NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9180 | 1nh5 | 5029 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -0.814 0.647 3 1HB LYS 1 HB2 LYS 1 3.044 -0.027 -1.457 4 2HB LYS 1 HB3 LYS 1 1.921 -1.363 -1.605 5 1HG LYS 1 HG2 LYS 1 0.341 -0.102 -2.781 6 2HG LYS 1 HG3 LYS 1 0.824 1.408 -2.033 7 1HD LYS 1 HD2 LYS 1 1.553 1.465 -4.351 8 2HD LYS 1 HD3 LYS 1 2.982 1.329 -3.346 9 1HE LYS 1 HE2 LYS 1 1.818 -1.293 -4.128 10 2HE LYS 1 HE3 LYS 1 2.372 -0.335 -5.487 11 1HZ LYS 1 HZ1 LYS 1 3.976 -1.232 -3.167 12 2HZ LYS 1 HZ2 LYS 1 4.249 -1.537 -4.743 13 H ASP 2 HN ASP 2 3.770 0.465 1.064 14 HA ASP 2 HA ASP 2 3.261 3.304 1.242 15 1HB ASP 2 HB2 ASP 2 4.414 1.779 3.608 16 2HB ASP 2 HB3 ASP 2 3.857 3.440 3.575 17 HD2 ASP 2 HD2 ASP 2 0.458 2.440 3.827 18 H GLY 3 HN GLY 3 5.274 4.535 1.200 19 1HA GLY 3 HA1 GLY 3 7.821 3.812 1.618 20 2HA GLY 3 HA2 GLY 3 7.490 3.034 0.083 21 H TYR 4 HN TYR 4 9.119 4.488 -0.875 22 HA TYR 4 HA TYR 4 8.268 7.275 -1.074 23 1HB TYR 4 HB2 TYR 4 10.700 5.871 -2.305 24 2HB TYR 4 HB3 TYR 4 10.571 7.560 -1.856 25 HD1 TYR 4 HD1 TYR 4 10.183 8.006 0.738 26 HD2 TYR 4 HD2 TYR 4 11.847 4.418 -0.893 27 HE1 TYR 4 HE1 TYR 4 11.277 7.488 2.974 28 HE2 TYR 4 HE2 TYR 4 12.935 3.912 1.349 29 HH TYR 4 HH TYR 4 13.259 4.562 3.377 30 HA PRO 5 HA PRO 5 6.790 6.391 -5.141 31 1HB PRO 5 HB2 PRO 5 5.530 8.789 -5.506 32 2HB PRO 5 HB3 PRO 5 4.744 7.391 -4.799 33 1HG PRO 5 HG2 PRO 5 5.737 9.833 -3.461 34 2HG PRO 5 HG3 PRO 5 4.595 8.644 -2.868 35 1HD PRO 5 HD2 PRO 5 7.349 8.905 -2.110 36 2HD PRO 5 HD3 PRO 5 6.238 7.647 -1.607 37 H VAL 6 HN VAL 6 7.905 6.486 -6.993 38 HA VAL 6 HA VAL 6 9.250 9.032 -7.473 39 HB VAL 6 HB VAL 6 11.281 7.861 -8.173 40 1HG1 VAL 6 HG11 VAL 6 10.950 8.751 -5.828 41 2HG1 VAL 6 HG12 VAL 6 10.590 7.082 -5.326 42 3HG1 VAL 6 HG13 VAL 6 12.189 7.483 -5.997 43 1HG2 VAL 6 HG21 VAL 6 10.408 5.694 -8.778 44 2HG2 VAL 6 HG22 VAL 6 11.614 5.479 -7.487 45 3HG2 VAL 6 HG23 VAL 6 9.878 5.389 -7.107 46 H ASP 7 HN ASP 7 8.928 9.742 -9.536 47 HA ASP 7 HA ASP 7 8.870 7.987 -11.692 48 1HB ASP 7 HB2 ASP 7 6.353 8.907 -12.234 49 2HB ASP 7 HB3 ASP 7 6.681 7.332 -11.538 50 HD2 ASP 7 HD2 ASP 7 5.426 10.151 -8.962 51 H SER 8 HN SER 8 6.949 10.956 -10.772 52 HA SER 8 HA SER 8 7.772 12.208 -13.186 53 1HB SER 8 HB2 SER 8 6.391 14.153 -12.198 54 2HB SER 8 HB3 SER 8 5.535 12.666 -12.552 55 HG SER 8 HG SER 8 5.066 13.625 -10.411 56 H LYS 9 HN LYS 9 8.521 12.408 -9.689 57 HA LYS 9 HA LYS 9 10.127 14.758 -9.989 58 1HB LYS 9 HB2 LYS 9 10.646 14.425 -7.640 59 2HB LYS 9 HB3 LYS 9 8.922 14.273 -7.910 60 1HG LYS 9 HG2 LYS 9 9.866 11.650 -8.272 61 2HG LYS 9 HG3 LYS 9 10.850 12.255 -6.954 62 1HD LYS 9 HD2 LYS 9 9.010 11.488 -5.752 63 2HD LYS 9 HD3 LYS 9 8.521 13.150 -6.014 64 1HE LYS 9 HE2 LYS 9 7.729 10.835 -7.845 65 2HE LYS 9 HE3 LYS 9 6.720 11.444 -6.548 66 1HZ LYS 9 HZ1 LYS 9 6.336 12.420 -8.855 67 2HZ LYS 9 HZ2 LYS 9 6.478 13.507 -7.651 68 H GLY 10 HN GLY 10 10.495 11.335 -10.527 69 1HA GLY 10 HA1 GLY 10 12.242 10.393 -11.680 70 2HA GLY 10 HA2 GLY 10 13.231 11.808 -11.383 71 H CYS 11 HN CYS 11 14.117 12.139 -9.141 72 HA CYS 11 HA CYS 11 14.505 9.532 -7.859 73 1HB CYS 11 HB2 CYS 11 16.464 11.657 -8.617 74 2HB CYS 11 HB3 CYS 11 16.752 10.746 -7.149 75 H LYS 12 HN LYS 12 12.486 10.334 -6.601 76 HA LYS 12 HA LYS 12 11.941 10.520 -4.468 77 1HB LYS 12 HB2 LYS 12 14.620 9.906 -4.358 78 2HB LYS 12 HB3 LYS 12 14.554 11.377 -3.408 79 1HG LYS 12 HG2 LYS 12 13.879 10.040 -1.689 80 2HG LYS 12 HG3 LYS 12 12.316 10.027 -2.479 81 1HD LYS 12 HD2 LYS 12 12.756 7.728 -2.234 82 2HD LYS 12 HD3 LYS 12 13.276 8.023 -3.881 83 1HE LYS 12 HE2 LYS 12 15.071 6.785 -2.927 84 2HE LYS 12 HE3 LYS 12 15.643 8.441 -2.902 85 1HZ LYS 12 HZ1 LYS 12 15.083 8.604 -0.584 86 2HZ LYS 12 HZ2 LYS 12 14.307 7.172 -0.574 87 H LEU 13 HN LEU 13 12.006 12.277 -2.525 88 HA LEU 13 HA LEU 13 13.001 14.832 -3.514 89 1HB LEU 13 HB2 LEU 13 11.046 15.997 -2.566 90 2HB LEU 13 HB3 LEU 13 10.689 15.025 -3.980 91 HG LEU 13 HG LEU 13 10.269 13.561 -1.478 92 1HD1 LEU 13 HD11 LEU 13 8.729 16.122 -1.954 93 2HD1 LEU 13 HD12 LEU 13 8.163 14.801 -0.903 94 3HD1 LEU 13 HD13 LEU 13 9.674 15.660 -0.518 95 1HD2 LEU 13 HD21 LEU 13 8.478 14.188 -3.841 96 2HD2 LEU 13 HD22 LEU 13 9.514 12.754 -3.652 97 3HD2 LEU 13 HD23 LEU 13 8.136 13.008 -2.554 98 H SER 14 HN SER 14 14.173 15.945 -1.987 99 HA SER 14 HA SER 14 14.749 14.459 0.367 100 1HB SER 14 HB2 SER 14 16.357 16.413 0.778 101 2HB SER 14 HB3 SER 14 16.624 15.489 -0.687 102 HG SER 14 HG SER 14 16.684 17.841 -0.999 103 H CYS 15 HN CYS 15 12.568 14.597 1.374 104 HA CYS 15 HA CYS 15 11.377 17.007 2.047 105 1HB CYS 15 HB2 CYS 15 10.167 15.703 3.759 106 2HB CYS 15 HB3 CYS 15 10.128 14.985 2.161 107 H VAL 16 HN VAL 16 11.543 18.337 3.932 108 HA VAL 16 HA VAL 16 14.056 17.962 5.376 109 HB VAL 16 HB VAL 16 12.243 20.370 5.124 110 1HG1 VAL 16 HG11 VAL 16 14.299 21.583 5.971 111 2HG1 VAL 16 HG12 VAL 16 13.467 20.556 7.162 112 3HG1 VAL 16 HG13 VAL 16 14.969 19.989 6.393 113 1HG2 VAL 16 HG21 VAL 16 14.818 19.660 3.682 114 2HG2 VAL 16 HG22 VAL 16 13.199 19.845 2.966 115 3HG2 VAL 16 HG23 VAL 16 14.041 21.261 3.641 116 H ALA 17 HN ALA 17 10.684 17.410 5.654 117 HA ALA 17 HA ALA 17 10.756 17.072 8.473 118 1HB ALA 17 HB1 ALA 17 9.275 19.491 7.360 119 2HB ALA 17 HB2 ALA 17 9.202 18.904 9.039 120 3HB ALA 17 HB3 ALA 17 10.729 19.541 8.384 121 H ASN 18 HN ASN 18 8.494 16.475 9.283 122 HA ASN 18 HA ASN 18 7.659 14.482 7.542 123 1HB ASN 18 HB2 ASN 18 6.465 15.619 10.118 124 2HB ASN 18 HB3 ASN 18 5.754 14.242 9.299 125 1HD2 ASN 18 HD21 ASN 18 8.657 13.655 11.912 126 2HD2 ASN 18 HD22 ASN 18 7.537 14.973 11.815 127 H ASN 19 HN ASN 19 6.345 17.702 8.511 128 HA ASN 19 HA ASN 19 3.871 17.432 7.302 129 1HB ASN 19 HB2 ASN 19 3.902 19.987 7.328 130 2HB ASN 19 HB3 ASN 19 4.268 19.248 8.875 131 1HD2 ASN 19 HD21 ASN 19 6.911 21.658 6.963 132 2HD2 ASN 19 HD22 ASN 19 5.328 21.282 6.369 133 H TYR 20 HN TYR 20 7.132 18.318 6.127 134 HA TYR 20 HA TYR 20 6.295 19.610 3.758 135 1HB TYR 20 HB2 TYR 20 8.548 19.614 5.128 136 2HB TYR 20 HB3 TYR 20 8.888 18.071 4.369 137 HD1 TYR 20 HD1 TYR 20 9.198 17.950 1.875 138 HD2 TYR 20 HD2 TYR 20 8.865 21.676 3.952 139 HE1 TYR 20 HE1 TYR 20 10.203 19.162 -0.122 140 HE2 TYR 20 HE2 TYR 20 9.870 22.875 1.948 141 HH TYR 20 HH TYR 20 10.684 22.685 -0.038 142 H CYS 21 HN CYS 21 6.949 16.215 4.655 143 HA CYS 21 HA CYS 21 6.767 15.306 1.960 144 1HB CYS 21 HB2 CYS 21 8.004 13.955 3.452 145 2HB CYS 21 HB3 CYS 21 6.719 13.936 4.643 146 H ASP 22 HN ASP 22 4.575 15.515 4.868 147 HA ASP 22 HA ASP 22 2.832 13.642 3.871 148 1HB ASP 22 HB2 ASP 22 3.004 14.385 6.262 149 2HB ASP 22 HB3 ASP 22 2.276 15.920 5.830 150 HD2 ASP 22 HD2 ASP 22 -0.860 14.668 6.379 151 H ASN 23 HN ASN 23 2.885 17.252 3.732 152 HA ASN 23 HA ASN 23 0.298 17.606 2.864 153 1HB ASN 23 HB2 ASN 23 0.945 19.861 2.437 154 2HB ASN 23 HB3 ASN 23 2.084 19.347 3.666 155 1HD2 ASN 23 HD21 ASN 23 4.932 19.187 1.567 156 2HD2 ASN 23 HD22 ASN 23 4.213 18.786 3.090 157 H GLN 24 HN GLN 24 3.299 16.638 1.224 158 HA GLN 24 HA GLN 24 2.240 17.280 -1.367 159 1HB GLN 24 HB2 GLN 24 4.691 17.579 -0.639 160 2HB GLN 24 HB3 GLN 24 4.843 15.836 -0.732 161 1HG GLN 24 HG2 GLN 24 4.092 15.912 -3.129 162 2HG GLN 24 HG3 GLN 24 3.984 17.658 -3.030 163 1HE2 GLN 24 HE21 GLN 24 7.505 18.252 -2.853 164 2HE2 GLN 24 HE22 GLN 24 5.964 18.806 -2.287 165 H CYS 25 HN CYS 25 2.596 14.525 0.815 166 HA CYS 25 HA CYS 25 2.405 12.539 -1.190 167 1HB CYS 25 HB2 CYS 25 2.004 12.460 1.803 168 2HB CYS 25 HB3 CYS 25 1.887 11.044 0.777 169 H LYS 26 HN LYS 26 0.076 14.147 1.116 170 HA LYS 26 HA LYS 26 -1.792 12.042 0.663 171 1HB LYS 26 HB2 LYS 26 -2.694 12.720 2.604 172 2HB LYS 26 HB3 LYS 26 -1.226 13.663 2.768 173 1HG LYS 26 HG2 LYS 26 -3.695 14.756 1.355 174 2HG LYS 26 HG3 LYS 26 -3.469 14.918 3.085 175 1HD LYS 26 HD2 LYS 26 -1.439 16.216 2.793 176 2HD LYS 26 HD3 LYS 26 -1.360 15.836 1.085 177 1HE LYS 26 HE2 LYS 26 -3.481 17.099 0.696 178 2HE LYS 26 HE3 LYS 26 -3.584 17.464 2.407 179 1HZ LYS 26 HZ1 LYS 26 -1.590 18.762 2.262 180 2HZ LYS 26 HZ2 LYS 26 -1.254 18.259 0.750 181 H MET 27 HN MET 27 -1.006 14.970 -0.958 182 HA MET 27 HA MET 27 -3.619 15.871 -1.433 183 1HB MET 27 HB2 MET 27 -2.520 17.514 -2.846 184 2HB MET 27 HB3 MET 27 -1.405 17.196 -1.532 185 1HG MET 27 HG2 MET 27 -0.324 15.413 -3.082 186 2HG MET 27 HG3 MET 27 -1.273 16.112 -4.378 187 1HE MET 27 HE1 MET 27 0.854 16.766 -5.774 188 2HE MET 27 HE2 MET 27 2.274 17.575 -5.069 189 3HE MET 27 HE3 MET 27 1.814 15.947 -4.519 190 H LYS 28 HN LYS 28 -1.722 13.301 -2.797 191 HA LYS 28 HA LYS 28 -3.557 12.862 -4.936 192 1HB LYS 28 HB2 LYS 28 -2.310 14.715 -5.919 193 2HB LYS 28 HB3 LYS 28 -0.789 13.906 -5.600 194 1HG LYS 28 HG2 LYS 28 -2.737 12.227 -7.086 195 2HG LYS 28 HG3 LYS 28 -2.263 13.678 -7.946 196 1HD LYS 28 HD2 LYS 28 0.169 13.068 -7.505 197 2HD LYS 28 HD3 LYS 28 -0.382 11.556 -6.814 198 1HE LYS 28 HE2 LYS 28 0.148 11.052 -9.098 199 2HE LYS 28 HE3 LYS 28 -1.602 11.106 -9.031 200 1HZ LYS 28 HZ1 LYS 28 0.138 13.333 -9.950 201 2HZ LYS 28 HZ2 LYS 28 -0.787 12.396 -10.909 202 H LYS 29 HN LYS 29 -0.212 12.266 -3.642 203 HA LYS 29 HA LYS 29 0.079 9.941 -5.187 204 1HB LYS 29 HB2 LYS 29 1.623 10.945 -2.778 205 2HB LYS 29 HB3 LYS 29 2.123 9.610 -3.796 206 1HG LYS 29 HG2 LYS 29 1.468 12.304 -5.034 207 2HG LYS 29 HG3 LYS 29 3.036 12.033 -4.301 208 1HD LYS 29 HD2 LYS 29 3.392 10.051 -5.784 209 2HD LYS 29 HD3 LYS 29 1.818 10.307 -6.510 210 1HE LYS 29 HE2 LYS 29 2.579 12.620 -7.227 211 2HE LYS 29 HE3 LYS 29 4.174 12.251 -6.601 212 1HZ LYS 29 HZ1 LYS 29 2.836 10.594 -8.670 213 2HZ LYS 29 HZ2 LYS 29 3.893 11.781 -9.024 214 H ALA 30 HN ALA 30 -1.114 10.547 -1.843 215 HA ALA 30 HA ALA 30 -1.487 7.701 -1.456 216 1HB ALA 30 HB1 ALA 30 0.980 8.382 -0.986 217 2HB ALA 30 HB2 ALA 30 0.323 9.199 0.452 218 3HB ALA 30 HB3 ALA 30 0.113 7.443 0.253 219 H SER 31 HN SER 31 -2.053 7.533 1.160 220 HA SER 31 HA SER 31 -4.213 9.389 1.469 221 1HB SER 31 HB2 SER 31 -4.987 7.945 3.205 222 2HB SER 31 HB3 SER 31 -4.338 6.882 1.972 223 HG SER 31 HG SER 31 -2.314 6.824 3.239 224 H GLY 32 HN GLY 32 -0.965 8.733 2.778 225 1HA GLY 32 HA1 GLY 32 -0.918 11.409 3.865 226 2HA GLY 32 HA2 GLY 32 -0.806 10.145 5.074 227 H GLY 33 HN GLY 33 1.402 11.198 5.411 228 1HA GLY 33 HA1 GLY 33 3.291 9.320 4.499 229 2HA GLY 33 HA2 GLY 33 3.513 10.818 3.616 230 H HIS 34 HN HIS 34 5.481 9.772 5.441 231 HA HIS 34 HA HIS 34 5.688 12.322 6.799 232 1HB HIS 34 HB2 HIS 34 6.055 11.556 8.897 233 2HB HIS 34 HB3 HIS 34 4.973 10.289 8.355 234 HD1 HIS 34 HD1 HIS 34 8.445 10.900 9.516 235 HD2 HIS 34 HD2 HIS 34 6.298 7.794 7.689 236 HE1 HIS 34 HE1 HIS 34 9.874 8.800 9.766 237 H CYS 35 HN CYS 35 8.194 12.317 7.748 238 HA CYS 35 HA CYS 35 9.606 11.918 5.226 239 1HB CYS 35 HB2 CYS 35 9.351 14.232 6.006 240 2HB CYS 35 HB3 CYS 35 10.172 13.831 7.501 241 H TYR 36 HN TYR 36 10.770 10.013 5.281 242 HA TYR 36 HA TYR 36 12.034 9.300 7.836 243 1HB TYR 36 HB2 TYR 36 10.303 7.786 6.625 244 2HB TYR 36 HB3 TYR 36 11.426 7.682 5.284 245 HD1 TYR 36 HD1 TYR 36 13.588 6.471 5.549 246 HD2 TYR 36 HD2 TYR 36 10.631 6.501 8.641 247 HE1 TYR 36 HE1 TYR 36 14.719 4.483 6.660 248 HE2 TYR 36 HE2 TYR 36 11.771 4.513 9.741 249 HH TYR 36 HH TYR 36 13.382 3.085 9.645 250 H ALA 37 HN ALA 37 14.206 9.529 7.989 251 HA ALA 37 HA ALA 37 16.297 9.992 7.351 252 1HB ALA 37 HB1 ALA 37 17.316 8.170 6.067 253 2HB ALA 37 HB2 ALA 37 16.118 7.515 7.210 254 3HB ALA 37 HB3 ALA 37 15.715 7.659 5.482 255 H MET 38 HN MET 38 14.719 11.898 6.227 256 HA MET 38 HA MET 38 14.655 13.394 4.648 257 1HB MET 38 HB2 MET 38 17.241 13.059 5.128 258 2HB MET 38 HB3 MET 38 17.284 12.295 3.552 259 1HG MET 38 HG2 MET 38 16.283 14.374 2.538 260 2HG MET 38 HG3 MET 38 16.302 15.136 4.116 261 1HE MET 38 HE1 MET 38 18.141 14.224 0.981 262 2HE MET 38 HE2 MET 38 19.871 14.221 1.401 263 3HE MET 38 HE3 MET 38 18.818 12.897 1.955 264 H SER 39 HN SER 39 13.274 10.964 4.009 265 HA SER 39 HA SER 39 13.077 11.631 1.228 266 1HB SER 39 HB2 SER 39 13.660 8.827 2.221 267 2HB SER 39 HB3 SER 39 12.738 9.064 0.750 268 HG SER 39 HG SER 39 15.296 10.339 1.175 269 H CYS 40 HN CYS 40 10.891 11.508 0.493 270 HA CYS 40 HA CYS 40 9.120 11.764 2.688 271 1HB CYS 40 HB2 CYS 40 8.940 13.296 0.864 272 2HB CYS 40 HB3 CYS 40 8.745 12.000 -0.298 273 H TYR 41 HN TYR 41 8.788 9.725 3.682 274 HA TYR 41 HA TYR 41 8.067 7.448 2.092 275 1HB TYR 41 HB2 TYR 41 9.303 7.565 4.375 276 2HB TYR 41 HB3 TYR 41 7.793 8.089 5.094 277 HD1 TYR 41 HD1 TYR 41 6.023 6.523 5.573 278 HD2 TYR 41 HD2 TYR 41 9.532 5.246 3.486 279 HE1 TYR 41 HE1 TYR 41 5.358 4.095 5.928 280 HE2 TYR 41 HE2 TYR 41 8.856 2.822 3.848 281 HH TYR 41 HH TYR 41 5.969 2.020 5.745 282 H CYS 42 HN CYS 42 6.157 7.787 0.941 283 HA CYS 42 HA CYS 42 3.969 9.073 2.304 284 1HB CYS 42 HB2 CYS 42 4.205 8.015 -0.520 285 2HB CYS 42 HB3 CYS 42 2.829 8.891 0.117 286 H GLU 43 HN GLU 43 1.736 7.963 2.266 287 HA GLU 43 HA GLU 43 2.228 5.180 2.965 288 1HB GLU 43 HB2 GLU 43 1.168 7.391 4.761 289 2HB GLU 43 HB3 GLU 43 0.842 5.704 5.100 290 1HG GLU 43 HG2 GLU 43 3.263 5.210 5.191 291 2HG GLU 43 HG3 GLU 43 3.646 6.855 4.724 292 HE2 GLU 43 HE2 GLU 43 2.451 6.127 8.484 293 H GLY 44 HN GLY 44 0.666 3.866 2.126 294 1HA GLY 44 HA1 GLY 44 -1.429 3.142 1.619 295 2HA GLY 44 HA2 GLY 44 -2.102 4.663 2.169 296 H LEU 45 HN LEU 45 0.005 3.361 -0.497 297 HA LEU 45 HA LEU 45 -1.231 5.305 -2.292 298 1HB LEU 45 HB2 LEU 45 1.190 3.522 -2.542 299 2HB LEU 45 HB3 LEU 45 0.541 4.458 -3.873 300 HG LEU 45 HG LEU 45 0.801 6.447 -2.094 301 1HD1 LEU 45 HD11 LEU 45 2.975 6.132 -0.883 302 2HD1 LEU 45 HD12 LEU 45 1.617 5.168 -0.253 303 3HD1 LEU 45 HD13 LEU 45 2.865 4.396 -1.261 304 1HD2 LEU 45 HD21 LEU 45 1.739 6.537 -4.290 305 2HD2 LEU 45 HD22 LEU 45 3.035 6.906 -3.127 306 3HD2 LEU 45 HD23 LEU 45 2.953 5.299 -3.887 307 HA PRO 46 HA PRO 46 -3.255 1.980 -4.455 308 1HB PRO 46 HB2 PRO 46 -3.446 3.077 -6.951 309 2HB PRO 46 HB3 PRO 46 -4.627 3.358 -5.687 310 1HG PRO 46 HG2 PRO 46 -2.526 5.176 -6.698 311 2HG PRO 46 HG3 PRO 46 -3.957 5.564 -5.765 312 1HD PRO 46 HD2 PRO 46 -1.264 5.406 -4.791 313 2HD PRO 46 HD3 PRO 46 -2.709 5.680 -3.838 314 H GLU 47 HN GLU 47 -2.878 0.340 -6.158 315 HA GLU 47 HA GLU 47 -0.249 -0.351 -5.499 316 1HB GLU 47 HB2 GLU 47 -0.761 -2.489 -6.499 317 2HB GLU 47 HB3 GLU 47 -2.210 -1.934 -5.683 318 1HG GLU 47 HG2 GLU 47 -2.972 -0.962 -7.943 319 2HG GLU 47 HG3 GLU 47 -1.627 -1.815 -8.675 320 HE2 GLU 47 HE2 GLU 47 -4.809 -3.890 -7.420 321 H ASN 48 HN ASN 48 -1.674 1.314 -8.204 322 HA ASN 48 HA ASN 48 0.049 0.403 -10.195 323 1HB ASN 48 HB2 ASN 48 -0.767 2.383 -11.470 324 2HB ASN 48 HB3 ASN 48 -2.100 1.578 -10.667 325 1HD2 ASN 48 HD21 ASN 48 -1.911 5.404 -10.202 326 2HD2 ASN 48 HD22 ASN 48 -1.610 4.385 -11.570 327 H ALA 49 HN ALA 49 0.217 2.880 -7.642 328 HA ALA 49 HA ALA 49 2.563 4.120 -8.819 329 1HB ALA 49 HB1 ALA 49 1.004 4.655 -6.257 330 2HB ALA 49 HB2 ALA 49 2.349 5.646 -6.869 331 3HB ALA 49 HB3 ALA 49 0.835 5.531 -7.797 332 H LYS 50 HN LYS 50 4.070 2.361 -8.772 333 HA LYS 50 HA LYS 50 4.509 0.827 -6.465 334 1HB LYS 50 HB2 LYS 50 6.337 -0.097 -7.642 335 2HB LYS 50 HB3 LYS 50 5.114 0.249 -8.848 336 1HG LYS 50 HG2 LYS 50 6.820 1.301 -9.955 337 2HG LYS 50 HG3 LYS 50 6.481 2.630 -8.864 338 1HD LYS 50 HD2 LYS 50 8.157 1.540 -7.226 339 2HD LYS 50 HD3 LYS 50 8.615 0.477 -8.541 340 1HE LYS 50 HE2 LYS 50 9.251 2.420 -9.941 341 2HE LYS 50 HE3 LYS 50 8.694 3.528 -8.703 342 1HZ LYS 50 HZ1 LYS 50 11.114 3.146 -8.599 343 2HZ LYS 50 HZ2 LYS 50 10.402 2.672 -7.213 344 H VAL 51 HN VAL 51 6.313 0.881 -4.964 345 HA VAL 51 HA VAL 51 7.601 3.499 -4.769 346 HB VAL 51 HB VAL 51 7.098 3.597 -2.389 347 1HG1 VAL 51 HG11 VAL 51 4.502 3.233 -3.911 348 2HG1 VAL 51 HG12 VAL 51 4.836 4.333 -2.552 349 3HG1 VAL 51 HG13 VAL 51 5.583 4.628 -4.140 350 1HG2 VAL 51 HG21 VAL 51 6.880 1.254 -1.844 351 2HG2 VAL 51 HG22 VAL 51 5.362 2.083 -1.422 352 3HG2 VAL 51 HG23 VAL 51 5.456 1.095 -2.900 353 H SER 52 HN SER 52 9.571 3.429 -3.359 354 HA SER 52 HA SER 52 10.520 0.706 -3.002 355 1HB SER 52 HB2 SER 52 12.193 1.977 -4.095 356 2HB SER 52 HB3 SER 52 11.881 3.406 -3.131 357 HG SER 52 HG SER 52 13.755 1.559 -2.699 358 H ASP 53 HN ASP 53 11.196 -0.032 -0.852 359 HA ASP 53 HA ASP 53 11.118 2.075 1.155 360 1HB ASP 53 HB2 ASP 53 10.586 0.275 2.850 361 2HB ASP 53 HB3 ASP 53 9.291 0.585 1.710 362 HD2 ASP 53 HD2 ASP 53 9.204 -0.771 -0.018 363 H SER 54 HN SER 54 13.358 1.287 -0.566 364 HA SER 54 HA SER 54 14.744 -0.724 1.027 365 1HB SER 54 HB2 SER 54 15.942 -1.216 -1.197 366 2HB SER 54 HB3 SER 54 14.261 -1.699 -1.085 367 HG SER 54 HG SER 54 14.688 -0.604 -3.090 368 H ALA 55 HN ALA 55 14.886 2.131 1.634 369 HA ALA 55 HA ALA 55 16.508 3.406 2.436 370 1HB ALA 55 HB1 ALA 55 18.236 0.950 1.922 371 2HB ALA 55 HB2 ALA 55 18.610 2.285 3.039 372 3HB ALA 55 HB3 ALA 55 17.224 1.217 3.361 373 H THR 56 HN THR 56 15.893 4.113 -0.113 374 HA THR 56 HA THR 56 16.692 5.463 -1.688 375 HB THR 56 HB THR 56 19.250 5.541 -0.012 376 HG1 THR 56 HG1 THR 56 16.643 6.884 0.169 377 1HG2 THR 56 HG21 THR 56 19.152 7.973 -0.666 378 2HG2 THR 56 HG22 THR 56 19.339 6.911 -2.082 379 3HG2 THR 56 HG23 THR 56 17.749 7.613 -1.700 380 H ASN 57 HN ASN 57 16.709 2.849 -2.463 381 HA ASN 57 HA ASN 57 19.148 2.327 -3.770 382 1HB ASN 57 HB2 ASN 57 17.770 0.773 -5.159 383 2HB ASN 57 HB3 ASN 57 17.409 0.577 -3.456 384 1HD2 ASN 57 HD21 ASN 57 14.461 1.239 -6.003 385 2HD2 ASN 57 HD22 ASN 57 16.030 0.583 -6.330 386 H ILE 58 HN ILE 58 16.276 4.365 -4.310 387 HA ILE 58 HA ILE 58 17.070 5.059 -6.991 388 HB ILE 58 HB ILE 58 14.980 6.196 -5.131 389 1HG1 ILE 58 HG12 ILE 58 13.973 4.820 -7.459 390 2HG1 ILE 58 HG13 ILE 58 15.051 3.761 -6.573 391 1HG2 ILE 58 HG21 ILE 58 15.586 6.776 -8.039 392 2HG2 ILE 58 HG22 ILE 58 14.055 7.200 -7.236 393 3HG2 ILE 58 HG23 ILE 58 15.584 7.915 -6.671 394 1HD1 ILE 58 HD11 ILE 58 12.711 3.588 -5.744 395 2HD1 ILE 58 HD12 ILE 58 13.806 4.190 -4.476 396 3HD1 ILE 58 HD13 ILE 58 12.735 5.321 -5.338 397 H CYS 59 HN CYS 59 17.580 7.410 -7.550 398 HA CYS 59 HA CYS 59 19.969 7.712 -5.980 399 1HB CYS 59 HB2 CYS 59 20.865 8.891 -7.824 400 2HB CYS 59 HB3 CYS 59 20.002 7.502 -8.456 401 H GLY 60 HN GLY 60 18.157 8.551 -4.256 402 1HA GLY 60 HA1 GLY 60 16.972 11.075 -4.677 403 2HA GLY 60 HA2 GLY 60 17.173 10.243 -3.148 Start of MODEL 2 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 0.525 -0.898 3 1HB LYS 1 HB2 LYS 1 1.551 1.780 1.216 4 2HB LYS 1 HB3 LYS 1 1.686 0.288 2.125 5 1HG LYS 1 HG2 LYS 1 3.956 -0.100 1.276 6 2HG LYS 1 HG3 LYS 1 3.824 1.253 0.170 7 1HD LYS 1 HD2 LYS 1 3.557 2.804 2.141 8 2HD LYS 1 HD3 LYS 1 3.766 1.439 3.220 9 1HE LYS 1 HE2 LYS 1 5.909 2.627 2.953 10 2HE LYS 1 HE3 LYS 1 6.035 1.018 2.272 11 1HZ LYS 1 HZ1 LYS 1 5.544 3.497 0.708 12 2HZ LYS 1 HZ2 LYS 1 6.941 2.660 0.742 13 H ASP 2 HN ASP 2 3.443 -0.914 -1.395 14 HA ASP 2 HA ASP 2 3.091 -3.603 -0.390 15 1HB ASP 2 HB2 ASP 2 3.172 -2.905 -3.363 16 2HB ASP 2 HB3 ASP 2 3.103 -4.525 -2.699 17 HD2 ASP 2 HD2 ASP 2 -0.252 -2.318 -2.651 18 H GLY 3 HN GLY 3 5.079 -4.878 -0.628 19 1HA GLY 3 HA1 GLY 3 7.152 -4.624 -2.274 20 2HA GLY 3 HA2 GLY 3 7.471 -3.308 -1.162 21 H TYR 4 HN TYR 4 9.473 -4.718 -0.759 22 HA TYR 4 HA TYR 4 8.905 -6.878 1.118 23 1HB TYR 4 HB2 TYR 4 11.630 -5.742 0.349 24 2HB TYR 4 HB3 TYR 4 11.220 -7.412 0.685 25 HD1 TYR 4 HD1 TYR 4 9.719 -8.638 -1.046 26 HD2 TYR 4 HD2 TYR 4 11.780 -4.980 -1.869 27 HE1 TYR 4 HE1 TYR 4 9.537 -9.088 -3.541 28 HE2 TYR 4 HE2 TYR 4 11.590 -5.443 -4.362 29 HH TYR 4 HH TYR 4 10.878 -6.780 -5.892 30 HA PRO 5 HA PRO 5 9.373 -3.908 4.286 31 1HB PRO 5 HB2 PRO 5 8.613 -5.499 6.373 32 2HB PRO 5 HB3 PRO 5 7.472 -4.631 5.365 33 1HG PRO 5 HG2 PRO 5 8.118 -7.516 5.373 34 2HG PRO 5 HG3 PRO 5 6.717 -6.707 4.699 35 1HD PRO 5 HD2 PRO 5 8.973 -7.726 3.250 36 2HD PRO 5 HD3 PRO 5 7.628 -6.815 2.591 37 H VAL 6 HN VAL 6 11.123 -3.117 5.279 38 HA VAL 6 HA VAL 6 12.947 -5.138 6.341 39 HB VAL 6 HB VAL 6 14.840 -3.918 5.304 40 1HG1 VAL 6 HG11 VAL 6 12.870 -5.007 3.267 41 2HG1 VAL 6 HG12 VAL 6 14.644 -4.952 3.127 42 3HG1 VAL 6 HG13 VAL 6 13.879 -6.009 4.338 43 1HG2 VAL 6 HG21 VAL 6 12.627 -2.473 3.814 44 2HG2 VAL 6 HG22 VAL 6 13.866 -1.761 4.875 45 3HG2 VAL 6 HG23 VAL 6 14.335 -2.476 3.314 46 H ASP 7 HN ASP 7 13.515 -4.627 8.394 47 HA ASP 7 HA ASP 7 14.237 -2.004 9.049 48 1HB ASP 7 HB2 ASP 7 12.380 -2.141 11.042 49 2HB ASP 7 HB3 ASP 7 12.132 -1.249 9.554 50 HD2 ASP 7 HD2 ASP 7 10.130 -4.687 10.076 51 H SER 8 HN SER 8 12.522 -4.700 10.837 52 HA SER 8 HA SER 8 14.338 -4.341 12.970 53 1HB SER 8 HB2 SER 8 12.999 -6.213 14.024 54 2HB SER 8 HB3 SER 8 12.039 -4.845 13.496 55 HG SER 8 HG SER 8 11.077 -6.042 11.965 56 H LYS 9 HN LYS 9 13.863 -6.696 10.319 57 HA LYS 9 HA LYS 9 15.756 -8.542 11.483 58 1HB LYS 9 HB2 LYS 9 15.155 -10.000 9.680 59 2HB LYS 9 HB3 LYS 9 13.686 -9.308 10.338 60 1HG LYS 9 HG2 LYS 9 14.316 -7.446 8.394 61 2HG LYS 9 HG3 LYS 9 14.931 -8.913 7.659 62 1HD LYS 9 HD2 LYS 9 12.683 -8.871 6.932 63 2HD LYS 9 HD3 LYS 9 12.627 -9.975 8.293 64 1HE LYS 9 HE2 LYS 9 10.778 -8.468 8.597 65 2HE LYS 9 HE3 LYS 9 11.986 -7.979 9.768 66 1HZ LYS 9 HZ1 LYS 9 11.537 -6.687 7.130 67 2HZ LYS 9 HZ2 LYS 9 11.151 -6.051 8.579 68 H GLY 10 HN GLY 10 15.760 -5.736 9.450 69 1HA GLY 10 HA1 GLY 10 17.607 -4.692 8.567 70 2HA GLY 10 HA2 GLY 10 18.565 -6.141 8.797 71 H CYS 11 HN CYS 11 18.049 -8.069 7.329 72 HA CYS 11 HA CYS 11 17.571 -6.921 4.675 73 1HB CYS 11 HB2 CYS 11 19.609 -8.926 5.626 74 2HB CYS 11 HB3 CYS 11 19.162 -8.797 3.937 75 H LYS 12 HN LYS 12 15.185 -7.671 5.436 76 HA LYS 12 HA LYS 12 13.693 -8.594 4.069 77 1HB LYS 12 HB2 LYS 12 16.068 -9.146 2.710 78 2HB LYS 12 HB3 LYS 12 15.275 -10.704 2.820 79 1HG LYS 12 HG2 LYS 12 14.483 -9.620 0.797 80 2HG LYS 12 HG3 LYS 12 13.154 -9.642 1.938 81 1HD LYS 12 HD2 LYS 12 13.036 -7.375 1.960 82 2HD LYS 12 HD3 LYS 12 14.740 -7.231 2.341 83 1HE LYS 12 HE2 LYS 12 15.293 -7.556 -0.094 84 2HE LYS 12 HE3 LYS 12 13.581 -7.646 -0.458 85 1HZ LYS 12 HZ1 LYS 12 14.888 -5.296 0.808 86 2HZ LYS 12 HZ2 LYS 12 14.484 -5.388 -0.766 87 H LEU 13 HN LEU 13 12.165 -10.270 4.333 88 HA LEU 13 HA LEU 13 12.546 -11.927 6.593 89 1HB LEU 13 HB2 LEU 13 10.421 -11.804 4.455 90 2HB LEU 13 HB3 LEU 13 10.354 -12.905 5.818 91 HG LEU 13 HG LEU 13 10.683 -9.962 6.321 92 1HD1 LEU 13 HD11 LEU 13 8.861 -9.927 4.795 93 2HD1 LEU 13 HD12 LEU 13 8.107 -11.350 5.554 94 3HD1 LEU 13 HD13 LEU 13 8.171 -9.803 6.431 95 1HD2 LEU 13 HD21 LEU 13 10.902 -11.589 8.171 96 2HD2 LEU 13 HD22 LEU 13 9.542 -10.462 8.392 97 3HD2 LEU 13 HD23 LEU 13 9.236 -12.133 7.861 98 H SER 14 HN SER 14 13.309 -12.204 3.180 99 HA SER 14 HA SER 14 14.488 -13.685 2.120 100 1HB SER 14 HB2 SER 14 15.167 -14.866 4.849 101 2HB SER 14 HB3 SER 14 16.074 -15.107 3.369 102 HG SER 14 HG SER 14 15.714 -12.630 4.822 103 H CYS 15 HN CYS 15 11.931 -14.311 1.855 104 HA CYS 15 HA CYS 15 11.214 -16.817 2.959 105 1HB CYS 15 HB2 CYS 15 9.284 -16.687 1.474 106 2HB CYS 15 HB3 CYS 15 9.517 -15.209 2.386 107 H VAL 16 HN VAL 16 11.083 -18.875 1.810 108 HA VAL 16 HA VAL 16 12.391 -18.883 -0.818 109 HB VAL 16 HB VAL 16 12.637 -21.161 1.123 110 1HG1 VAL 16 HG11 VAL 16 14.304 -20.219 -1.234 111 2HG1 VAL 16 HG12 VAL 16 14.679 -21.623 -0.206 112 3HG1 VAL 16 HG13 VAL 16 13.201 -21.616 -1.199 113 1HG2 VAL 16 HG21 VAL 16 13.511 -19.324 2.393 114 2HG2 VAL 16 HG22 VAL 16 14.895 -20.234 1.740 115 3HG2 VAL 16 HG23 VAL 16 14.403 -18.698 0.986 116 H ALA 17 HN ALA 17 9.511 -18.771 0.339 117 HA ALA 17 HA ALA 17 8.384 -20.670 -1.444 118 1HB ALA 17 HB1 ALA 17 7.167 -21.945 0.381 119 2HB ALA 17 HB2 ALA 17 8.911 -22.285 0.262 120 3HB ALA 17 HB3 ALA 17 8.298 -21.215 1.546 121 H ASN 18 HN ASN 18 5.974 -20.460 -1.476 122 HA ASN 18 HA ASN 18 5.507 -17.691 -1.350 123 1HB ASN 18 HB2 ASN 18 3.633 -20.028 -1.999 124 2HB ASN 18 HB3 ASN 18 3.226 -18.344 -2.263 125 1HD2 ASN 18 HD21 ASN 18 4.470 -19.834 -5.440 126 2HD2 ASN 18 HD22 ASN 18 3.194 -20.143 -4.310 127 H ASN 19 HN ASN 19 4.209 -20.644 0.313 128 HA ASN 19 HA ASN 19 2.221 -19.353 1.723 129 1HB ASN 19 HB2 ASN 19 2.377 -21.392 3.258 130 2HB ASN 19 HB3 ASN 19 2.220 -21.781 1.556 131 1HD2 ASN 19 HD21 ASN 19 5.380 -23.029 3.730 132 2HD2 ASN 19 HD22 ASN 19 3.998 -22.204 4.371 133 H TYR 20 HN TYR 20 5.726 -19.806 2.256 134 HA TYR 20 HA TYR 20 5.758 -19.313 5.023 135 1HB TYR 20 HB2 TYR 20 7.543 -20.382 3.530 136 2HB TYR 20 HB3 TYR 20 7.801 -18.826 2.765 137 HD1 TYR 20 HD1 TYR 20 8.916 -16.988 3.992 138 HD2 TYR 20 HD2 TYR 20 8.447 -20.869 5.728 139 HE1 TYR 20 HE1 TYR 20 10.666 -16.421 5.748 140 HE2 TYR 20 HE2 TYR 20 10.198 -20.290 7.478 141 HH TYR 20 HH TYR 20 11.592 -18.817 8.207 142 H CYS 21 HN CYS 21 5.842 -17.192 2.138 143 HA CYS 21 HA CYS 21 6.435 -14.865 3.662 144 1HB CYS 21 HB2 CYS 21 7.072 -14.854 1.383 145 2HB CYS 21 HB3 CYS 21 5.474 -15.330 0.843 146 H ASP 22 HN ASP 22 3.481 -16.398 2.189 147 HA ASP 22 HA ASP 22 1.880 -14.234 2.354 148 1HB ASP 22 HB2 ASP 22 1.268 -16.317 1.184 149 2HB ASP 22 HB3 ASP 22 1.172 -17.183 2.704 150 HD2 ASP 22 HD2 ASP 22 -0.445 -16.795 3.976 151 H ASN 23 HN ASN 23 2.445 -16.866 4.793 152 HA ASN 23 HA ASN 23 0.342 -16.056 6.438 153 1HB ASN 23 HB2 ASN 23 1.073 -17.798 7.898 154 2HB ASN 23 HB3 ASN 23 1.594 -18.350 6.319 155 1HD2 ASN 23 HD21 ASN 23 5.058 -17.927 6.825 156 2HD2 ASN 23 HD22 ASN 23 3.758 -18.302 5.743 157 H GLN 24 HN GLN 24 3.744 -15.117 6.062 158 HA GLN 24 HA GLN 24 3.878 -14.202 8.797 159 1HB GLN 24 HB2 GLN 24 6.143 -14.517 8.651 160 2HB GLN 24 HB3 GLN 24 5.696 -15.550 7.308 161 1HG GLN 24 HG2 GLN 24 5.907 -13.463 5.800 162 2HG GLN 24 HG3 GLN 24 6.638 -12.654 7.171 163 1HE2 GLN 24 HE21 GLN 24 9.432 -15.057 7.316 164 2HE2 GLN 24 HE22 GLN 24 8.257 -14.312 8.348 165 H CYS 25 HN CYS 25 3.211 -13.009 5.622 166 HA CYS 25 HA CYS 25 3.953 -10.315 6.170 167 1HB CYS 25 HB2 CYS 25 2.148 -11.579 4.105 168 2HB CYS 25 HB3 CYS 25 2.397 -9.848 4.220 169 H LYS 26 HN LYS 26 1.006 -12.403 6.464 170 HA LYS 26 HA LYS 26 -0.678 -10.114 6.732 171 1HB LYS 26 HB2 LYS 26 -2.481 -11.732 6.830 172 2HB LYS 26 HB3 LYS 26 -1.384 -12.130 5.523 173 1HG LYS 26 HG2 LYS 26 -0.819 -14.131 6.461 174 2HG LYS 26 HG3 LYS 26 -0.566 -13.415 8.040 175 1HD LYS 26 HD2 LYS 26 -3.367 -13.885 6.943 176 2HD LYS 26 HD3 LYS 26 -2.496 -15.147 7.791 177 1HE LYS 26 HE2 LYS 26 -2.218 -13.594 9.761 178 2HE LYS 26 HE3 LYS 26 -3.157 -12.381 8.914 179 1HZ LYS 26 HZ1 LYS 26 -4.538 -13.723 10.420 180 2HZ LYS 26 HZ2 LYS 26 -5.038 -13.920 8.883 181 H MET 27 HN MET 27 1.317 -11.948 8.862 182 HA MET 27 HA MET 27 -0.432 -12.155 11.021 183 1HB MET 27 HB2 MET 27 1.550 -12.893 12.229 184 2HB MET 27 HB3 MET 27 1.754 -13.444 10.578 185 1HG MET 27 HG2 MET 27 3.094 -11.296 10.132 186 2HG MET 27 HG3 MET 27 3.036 -10.984 11.856 187 1HE MET 27 HE1 MET 27 5.745 -11.143 10.441 188 2HE MET 27 HE2 MET 27 5.600 -11.012 12.210 189 3HE MET 27 HE3 MET 27 6.683 -12.229 11.494 190 H LYS 28 HN LYS 28 1.445 -9.487 9.747 191 HA LYS 28 HA LYS 28 0.651 -7.766 11.880 192 1HB LYS 28 HB2 LYS 28 2.539 -8.941 12.955 193 2HB LYS 28 HB3 LYS 28 3.593 -8.466 11.638 194 1HG LYS 28 HG2 LYS 28 2.781 -6.011 12.209 195 2HG LYS 28 HG3 LYS 28 2.289 -6.709 13.739 196 1HD LYS 28 HD2 LYS 28 5.107 -6.915 12.573 197 2HD LYS 28 HD3 LYS 28 4.620 -5.747 13.786 198 1HE LYS 28 HE2 LYS 28 3.921 -7.688 15.281 199 2HE LYS 28 HE3 LYS 28 4.591 -8.787 14.091 200 1HZ LYS 28 HZ1 LYS 28 6.209 -8.246 15.837 201 2HZ LYS 28 HZ2 LYS 28 6.758 -7.720 14.397 202 H LYS 29 HN LYS 29 3.040 -8.250 9.159 203 HA LYS 29 HA LYS 29 3.545 -5.488 9.103 204 1HB LYS 29 HB2 LYS 29 4.255 -7.740 7.206 205 2HB LYS 29 HB3 LYS 29 4.825 -6.095 7.007 206 1HG LYS 29 HG2 LYS 29 5.191 -7.517 9.664 207 2HG LYS 29 HG3 LYS 29 6.303 -7.825 8.345 208 1HD LYS 29 HD2 LYS 29 6.794 -5.380 8.179 209 2HD LYS 29 HD3 LYS 29 5.669 -5.060 9.484 210 1HE LYS 29 HE2 LYS 29 7.696 -5.148 10.656 211 2HE LYS 29 HE3 LYS 29 7.134 -6.798 10.841 212 1HZ LYS 29 HZ1 LYS 29 9.377 -6.911 10.093 213 2HZ LYS 29 HZ2 LYS 29 8.492 -7.310 8.786 214 H ALA 30 HN ALA 30 1.270 -7.617 7.345 215 HA ALA 30 HA ALA 30 0.299 -5.345 5.830 216 1HB ALA 30 HB1 ALA 30 2.396 -6.517 4.719 217 2HB ALA 30 HB2 ALA 30 1.200 -7.756 4.266 218 3HB ALA 30 HB3 ALA 30 0.984 -6.072 3.731 219 H SER 31 HN SER 31 -1.307 -6.618 4.008 220 HA SER 31 HA SER 31 -3.083 -8.085 5.723 221 1HB SER 31 HB2 SER 31 -4.498 -8.042 3.507 222 2HB SER 31 HB3 SER 31 -4.293 -6.563 4.424 223 HG SER 31 HG SER 31 -2.504 -7.286 2.274 224 H GLY 32 HN GLY 32 -0.767 -8.591 3.093 225 1HA GLY 32 HA1 GLY 32 -0.678 -11.380 3.446 226 2HA GLY 32 HA2 GLY 32 -1.700 -11.023 2.067 227 H GLY 33 HN GLY 33 0.036 -12.160 0.796 228 1HA GLY 33 HA1 GLY 33 1.059 -10.547 -1.016 229 2HA GLY 33 HA2 GLY 33 2.324 -10.444 0.192 230 H HIS 34 HN HIS 34 3.777 -11.465 -1.420 231 HA HIS 34 HA HIS 34 3.418 -14.330 -1.596 232 1HB HIS 34 HB2 HIS 34 2.130 -13.268 -3.491 233 2HB HIS 34 HB3 HIS 34 3.651 -12.648 -4.103 234 HD1 HIS 34 HD1 HIS 34 5.402 -14.425 -5.017 235 HD2 HIS 34 HD2 HIS 34 1.643 -15.980 -3.990 236 HE1 HIS 34 HE1 HIS 34 5.280 -16.750 -6.060 237 H CYS 35 HN CYS 35 5.398 -15.379 -2.604 238 HA CYS 35 HA CYS 35 7.686 -13.918 -1.587 239 1HB CYS 35 HB2 CYS 35 7.223 -16.223 -0.810 240 2HB CYS 35 HB3 CYS 35 7.448 -16.809 -2.446 241 H TYR 36 HN TYR 36 8.609 -12.577 -3.118 242 HA TYR 36 HA TYR 36 8.827 -13.653 -5.849 243 1HB TYR 36 HB2 TYR 36 7.383 -11.599 -5.496 244 2HB TYR 36 HB3 TYR 36 8.709 -10.807 -4.668 245 HD1 TYR 36 HD1 TYR 36 7.331 -11.767 -7.921 246 HD2 TYR 36 HD2 TYR 36 10.666 -9.979 -5.926 247 HE1 TYR 36 HE1 TYR 36 8.141 -10.799 -10.128 248 HE2 TYR 36 HE2 TYR 36 11.466 -9.017 -8.139 249 HH TYR 36 HH TYR 36 9.641 -9.623 -11.132 250 H ALA 37 HN ALA 37 10.845 -13.921 -6.699 251 HA ALA 37 HA ALA 37 13.056 -14.209 -6.603 252 1HB ALA 37 HB1 ALA 37 12.909 -11.232 -5.975 253 2HB ALA 37 HB2 ALA 37 14.303 -12.088 -6.675 254 3HB ALA 37 HB3 ALA 37 12.787 -11.955 -7.597 255 H MET 38 HN MET 38 12.115 -15.286 -4.335 256 HA MET 38 HA MET 38 12.633 -15.852 -2.296 257 1HB MET 38 HB2 MET 38 15.339 -14.660 -3.122 258 2HB MET 38 HB3 MET 38 15.120 -15.684 -1.717 259 1HG MET 38 HG2 MET 38 15.684 -17.348 -3.218 260 2HG MET 38 HG3 MET 38 13.966 -17.303 -3.563 261 1HE MET 38 HE1 MET 38 17.488 -16.860 -4.844 262 2HE MET 38 HE2 MET 38 17.376 -15.635 -6.131 263 3HE MET 38 HE3 MET 38 17.181 -15.157 -4.428 264 H SER 39 HN SER 39 11.468 -13.175 -2.613 265 HA SER 39 HA SER 39 12.345 -12.145 -0.063 266 1HB SER 39 HB2 SER 39 11.997 -10.328 -2.487 267 2HB SER 39 HB3 SER 39 12.458 -9.830 -0.872 268 HG SER 39 HG SER 39 13.981 -11.466 -2.708 269 H CYS 40 HN CYS 40 10.581 -11.468 1.189 270 HA CYS 40 HA CYS 40 8.115 -12.425 0.161 271 1HB CYS 40 HB2 CYS 40 8.758 -12.896 2.440 272 2HB CYS 40 HB3 CYS 40 8.862 -11.187 2.816 273 H TYR 41 HN TYR 41 7.411 -11.010 -1.514 274 HA TYR 41 HA TYR 41 7.235 -8.200 -1.108 275 1HB TYR 41 HB2 TYR 41 7.341 -9.545 -3.304 276 2HB TYR 41 HB3 TYR 41 5.745 -10.174 -2.950 277 HD1 TYR 41 HD1 TYR 41 3.843 -9.045 -3.723 278 HD2 TYR 41 HD2 TYR 41 7.563 -6.946 -3.484 279 HE1 TYR 41 HE1 TYR 41 2.801 -7.051 -4.907 280 HE2 TYR 41 HE2 TYR 41 6.509 -4.959 -4.669 281 HH TYR 41 HH TYR 41 4.745 -4.158 -5.613 282 H CYS 42 HN CYS 42 6.099 -7.728 0.814 283 HA CYS 42 HA CYS 42 3.596 -9.078 1.259 284 1HB CYS 42 HB2 CYS 42 5.080 -6.998 2.877 285 2HB CYS 42 HB3 CYS 42 3.568 -7.739 3.362 286 H GLU 43 HN GLU 43 1.571 -7.728 1.714 287 HA GLU 43 HA GLU 43 1.542 -5.480 -0.122 288 1HB GLU 43 HB2 GLU 43 -0.099 -8.032 -0.401 289 2HB GLU 43 HB3 GLU 43 -0.497 -6.547 -1.242 290 1HG GLU 43 HG2 GLU 43 1.968 -6.590 -2.106 291 2HG GLU 43 HG3 GLU 43 2.006 -8.250 -1.546 292 HE2 GLU 43 HE2 GLU 43 0.289 -6.077 -3.438 293 H GLY 44 HN GLY 44 0.307 -3.828 0.677 294 1HA GLY 44 HA1 GLY 44 -1.629 -2.922 1.568 295 2HA GLY 44 HA2 GLY 44 -2.058 -4.471 2.268 296 H LEU 45 HN LEU 45 0.904 -2.360 2.459 297 HA LEU 45 HA LEU 45 0.970 -2.868 5.316 298 1HB LEU 45 HB2 LEU 45 2.907 -1.605 3.378 299 2HB LEU 45 HB3 LEU 45 3.166 -1.631 5.111 300 HG LEU 45 HG LEU 45 2.669 -4.282 4.598 301 1HD1 LEU 45 HD11 LEU 45 4.106 -4.868 2.648 302 2HD1 LEU 45 HD12 LEU 45 2.593 -4.038 2.212 303 3HD1 LEU 45 HD13 LEU 45 4.133 -3.144 2.204 304 1HD2 LEU 45 HD21 LEU 45 5.318 -2.813 4.638 305 2HD2 LEU 45 HD22 LEU 45 4.428 -3.471 6.031 306 3HD2 LEU 45 HD23 LEU 45 5.125 -4.573 4.819 307 HA PRO 46 HA PRO 46 -0.010 1.399 6.207 308 1HB PRO 46 HB2 PRO 46 1.243 1.666 8.621 309 2HB PRO 46 HB3 PRO 46 -0.394 1.063 8.452 310 1HG PRO 46 HG2 PRO 46 2.083 -0.439 9.038 311 2HG PRO 46 HG3 PRO 46 0.419 -0.930 9.281 312 1HD PRO 46 HD2 PRO 46 2.169 -1.783 7.175 313 2HD PRO 46 HD3 PRO 46 0.472 -2.182 7.353 314 H GLU 47 HN GLU 47 1.081 3.538 6.492 315 HA GLU 47 HA GLU 47 3.060 3.235 4.454 316 1HB GLU 47 HB2 GLU 47 1.607 5.653 5.603 317 2HB GLU 47 HB3 GLU 47 2.812 5.785 4.337 318 1HG GLU 47 HG2 GLU 47 1.468 4.215 2.910 319 2HG GLU 47 HG3 GLU 47 0.257 4.116 4.172 320 HE2 GLU 47 HE2 GLU 47 -0.635 6.014 4.797 321 H ASN 48 HN ASN 48 3.173 3.271 7.789 322 HA ASN 48 HA ASN 48 5.407 5.010 8.073 323 1HB ASN 48 HB2 ASN 48 5.423 4.190 10.421 324 2HB ASN 48 HB3 ASN 48 3.794 4.624 9.943 325 1HD2 ASN 48 HD21 ASN 48 4.093 1.224 11.673 326 2HD2 ASN 48 HD22 ASN 48 4.774 2.783 11.997 327 H ALA 49 HN ALA 49 4.822 1.791 6.971 328 HA ALA 49 HA ALA 49 7.145 0.589 8.169 329 1HB ALA 49 HB1 ALA 49 5.015 -0.640 7.824 330 2HB ALA 49 HB2 ALA 49 5.193 -0.433 6.066 331 3HB ALA 49 HB3 ALA 49 6.373 -1.411 6.970 332 H LYS 50 HN LYS 50 9.173 0.572 7.322 333 HA LYS 50 HA LYS 50 9.634 1.722 4.747 334 1HB LYS 50 HB2 LYS 50 11.237 2.168 6.445 335 2HB LYS 50 HB3 LYS 50 11.406 0.472 6.852 336 1HG LYS 50 HG2 LYS 50 13.328 1.116 5.503 337 2HG LYS 50 HG3 LYS 50 12.331 0.039 4.545 338 1HD LYS 50 HD2 LYS 50 11.375 1.904 3.296 339 2HD LYS 50 HD3 LYS 50 12.099 3.077 4.378 340 1HE LYS 50 HE2 LYS 50 13.466 2.992 2.371 341 2HE LYS 50 HE3 LYS 50 14.388 2.256 3.668 342 1HZ LYS 50 HZ1 LYS 50 13.852 0.089 2.834 343 2HZ LYS 50 HZ2 LYS 50 12.753 0.658 1.775 344 H VAL 51 HN VAL 51 9.336 0.680 2.856 345 HA VAL 51 HA VAL 51 10.034 -2.175 2.828 346 HB VAL 51 HB VAL 51 8.299 -2.600 1.286 347 1HG1 VAL 51 HG11 VAL 51 7.134 -0.751 3.394 348 2HG1 VAL 51 HG12 VAL 51 6.293 -2.072 2.547 349 3HG1 VAL 51 HG13 VAL 51 7.624 -2.440 3.671 350 1HG2 VAL 51 HG21 VAL 51 7.970 0.406 1.132 351 2HG2 VAL 51 HG22 VAL 51 8.365 -0.732 -0.178 352 3HG2 VAL 51 HG23 VAL 51 6.737 -0.733 0.540 353 H SER 52 HN SER 52 10.950 -2.924 0.709 354 HA SER 52 HA SER 52 11.746 -0.670 -0.964 355 1HB SER 52 HB2 SER 52 13.737 -1.813 -0.358 356 2HB SER 52 HB3 SER 52 12.989 -3.392 -0.492 357 HG SER 52 HG SER 52 13.935 -1.655 -2.563 358 H ASP 53 HN ASP 53 11.396 -0.898 -3.315 359 HA ASP 53 HA ASP 53 10.066 -3.375 -4.053 360 1HB ASP 53 HB2 ASP 53 8.681 -2.118 -5.692 361 2HB ASP 53 HB3 ASP 53 8.347 -1.616 -4.047 362 HD2 ASP 53 HD2 ASP 53 9.858 -0.798 -6.918 363 H SER 54 HN SER 54 12.905 -2.782 -4.165 364 HA SER 54 HA SER 54 13.275 -1.838 -6.899 365 1HB SER 54 HB2 SER 54 15.424 -0.738 -5.919 366 2HB SER 54 HB3 SER 54 13.885 0.053 -5.639 367 HG SER 54 HG SER 54 15.258 -0.150 -3.704 368 H ALA 55 HN ALA 55 13.207 -4.467 -6.791 369 HA ALA 55 HA ALA 55 14.351 -6.323 -7.181 370 1HB ALA 55 HB1 ALA 55 16.611 -4.381 -7.813 371 2HB ALA 55 HB2 ALA 55 16.475 -6.062 -8.382 372 3HB ALA 55 HB3 ALA 55 15.305 -4.839 -8.932 373 H THR 56 HN THR 56 14.086 -6.007 -4.536 374 HA THR 56 HA THR 56 14.910 -6.802 -2.625 375 HB THR 56 HB THR 56 17.510 -7.469 -4.077 376 HG1 THR 56 HG1 THR 56 16.293 -9.296 -4.872 377 1HG2 THR 56 HG21 THR 56 17.271 -8.010 -1.598 378 2HG2 THR 56 HG22 THR 56 15.850 -9.001 -2.008 379 3HG2 THR 56 HG23 THR 56 17.458 -9.451 -2.626 380 H ASN 57 HN ASN 57 17.909 -5.454 -4.181 381 HA ASN 57 HA ASN 57 18.826 -3.494 -3.948 382 1HB ASN 57 HB2 ASN 57 17.306 -1.810 -3.692 383 2HB ASN 57 HB3 ASN 57 16.145 -2.962 -3.063 384 1HD2 ASN 57 HD21 ASN 57 16.556 -2.194 0.338 385 2HD2 ASN 57 HD22 ASN 57 15.939 -3.293 -0.850 386 H ILE 58 HN ILE 58 18.484 -5.840 -1.663 387 HA ILE 58 HA ILE 58 20.062 -4.469 0.365 388 HB ILE 58 HB ILE 58 17.338 -4.595 0.611 389 1HG1 ILE 58 HG12 ILE 58 19.343 -4.573 2.885 390 2HG1 ILE 58 HG13 ILE 58 19.001 -3.198 1.854 391 1HG2 ILE 58 HG21 ILE 58 18.421 -6.816 2.356 392 2HG2 ILE 58 HG22 ILE 58 16.735 -6.270 2.188 393 3HG2 ILE 58 HG23 ILE 58 17.543 -7.094 0.832 394 1HD1 ILE 58 HD11 ILE 58 16.538 -3.434 2.506 395 2HD1 ILE 58 HD12 ILE 58 17.059 -4.633 3.714 396 3HD1 ILE 58 HD13 ILE 58 17.630 -2.951 3.826 397 H CYS 59 HN CYS 59 20.616 -6.234 2.174 398 HA CYS 59 HA CYS 59 22.057 -8.082 0.521 399 1HB CYS 59 HB2 CYS 59 23.473 -8.425 2.386 400 2HB CYS 59 HB3 CYS 59 23.144 -6.707 2.280 401 H GLY 60 HN GLY 60 19.607 -8.992 0.174 402 1HA GLY 60 HA1 GLY 60 18.387 -10.337 2.351 403 2HA GLY 60 HA2 GLY 60 17.969 -10.463 0.653 Start of MODEL 3 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.005 -0.266 3 1HB LYS 1 HB2 LYS 1 1.593 0.662 -2.049 4 2HB LYS 1 HB3 LYS 1 1.641 1.962 -0.876 5 1HG LYS 1 HG2 LYS 1 3.914 1.276 -0.158 6 2HG LYS 1 HG3 LYS 1 3.868 -0.097 -1.246 7 1HD LYS 1 HD2 LYS 1 3.434 2.700 -2.337 8 2HD LYS 1 HD3 LYS 1 5.061 2.141 -2.005 9 1HE LYS 1 HE2 LYS 1 3.168 0.428 -3.650 10 2HE LYS 1 HE3 LYS 1 4.036 1.751 -4.402 11 1HZ LYS 1 HZ1 LYS 1 6.123 0.741 -3.617 12 2HZ LYS 1 HZ2 LYS 1 5.313 -0.493 -2.930 13 H ASP 2 HN ASP 2 3.250 -1.285 1.355 14 HA ASP 2 HA ASP 2 3.011 0.590 3.576 15 1HB ASP 2 HB2 ASP 2 3.521 -2.421 3.662 16 2HB ASP 2 HB3 ASP 2 3.613 -1.371 5.062 17 HD2 ASP 2 HD2 ASP 2 2.166 -3.175 5.424 18 H GLY 3 HN GLY 3 5.041 1.260 4.491 19 1HA GLY 3 HA1 GLY 3 7.515 0.118 4.231 20 2HA GLY 3 HA2 GLY 3 7.285 0.992 2.729 21 H TYR 4 HN TYR 4 9.035 2.452 3.346 22 HA TYR 4 HA TYR 4 8.190 4.383 5.400 23 1HB TYR 4 HB2 TYR 4 10.931 3.697 4.164 24 2HB TYR 4 HB3 TYR 4 10.687 4.849 5.462 25 HD1 TYR 4 HD1 TYR 4 11.179 1.375 4.610 26 HD2 TYR 4 HD2 TYR 4 9.862 4.007 7.715 27 HE1 TYR 4 HE1 TYR 4 11.485 -0.480 6.322 28 HE2 TYR 4 HE2 TYR 4 10.173 2.144 9.417 29 HH TYR 4 HH TYR 4 11.239 -1.084 8.380 30 HA PRO 5 HA PRO 5 7.581 6.508 1.614 31 1HB PRO 5 HB2 PRO 5 5.839 8.408 2.524 32 2HB PRO 5 HB3 PRO 5 5.334 6.806 2.022 33 1HG PRO 5 HG2 PRO 5 5.589 7.897 4.758 34 2HG PRO 5 HG3 PRO 5 4.703 6.485 4.217 35 1HD PRO 5 HD2 PRO 5 7.229 6.509 5.575 36 2HD PRO 5 HD3 PRO 5 6.398 5.106 4.931 37 H VAL 6 HN VAL 6 8.531 8.150 0.469 38 HA VAL 6 HA VAL 6 9.291 10.443 2.106 39 HB VAL 6 HB VAL 6 11.435 10.494 0.684 40 1HG1 VAL 6 HG11 VAL 6 12.660 9.265 2.363 41 2HG1 VAL 6 HG12 VAL 6 11.296 10.096 3.148 42 3HG1 VAL 6 HG13 VAL 6 11.204 8.349 2.820 43 1HG2 VAL 6 HG21 VAL 6 12.307 8.389 -0.093 44 2HG2 VAL 6 HG22 VAL 6 10.893 7.511 0.538 45 3HG2 VAL 6 HG23 VAL 6 10.706 8.633 -0.831 46 H ASP 7 HN ASP 7 8.765 12.365 1.136 47 HA ASP 7 HA ASP 7 8.970 12.643 -1.643 48 1HB ASP 7 HB2 ASP 7 6.355 13.462 -1.573 49 2HB ASP 7 HB3 ASP 7 6.873 11.900 -2.175 50 HD2 ASP 7 HD2 ASP 7 4.754 10.418 0.072 51 H SER 8 HN SER 8 6.686 13.945 0.892 52 HA SER 8 HA SER 8 7.567 16.594 0.275 53 1HB SER 8 HB2 SER 8 5.787 17.295 1.839 54 2HB SER 8 HB3 SER 8 5.176 16.138 0.674 55 HG SER 8 HG SER 8 5.765 15.751 3.461 56 H LYS 9 HN LYS 9 8.279 14.053 2.582 57 HA LYS 9 HA LYS 9 9.046 15.956 4.644 58 1HB LYS 9 HB2 LYS 9 9.220 13.933 6.068 59 2HB LYS 9 HB3 LYS 9 7.628 14.161 5.372 60 1HG LYS 9 HG2 LYS 9 9.434 12.546 3.659 61 2HG LYS 9 HG3 LYS 9 9.135 11.820 5.226 62 1HD LYS 9 HD2 LYS 9 6.796 12.924 3.653 63 2HD LYS 9 HD3 LYS 9 7.475 11.376 3.189 64 1HE LYS 9 HE2 LYS 9 6.764 11.921 6.092 65 2HE LYS 9 HE3 LYS 9 5.519 11.442 4.956 66 1HZ LYS 9 HZ1 LYS 9 7.989 9.849 5.081 67 2HZ LYS 9 HZ2 LYS 9 6.862 9.629 6.236 68 H GLY 10 HN GLY 10 10.385 13.973 2.097 69 1HA GLY 10 HA1 GLY 10 12.506 14.030 1.287 70 2HA GLY 10 HA2 GLY 10 12.999 15.052 2.622 71 H CYS 11 HN CYS 11 12.963 13.870 4.892 72 HA CYS 11 HA CYS 11 14.248 11.279 4.439 73 1HB CYS 11 HB2 CYS 11 14.742 13.470 6.432 74 2HB CYS 11 HB3 CYS 11 15.200 11.820 6.805 75 H LYS 12 HN LYS 12 14.037 9.851 6.591 76 HA LYS 12 HA LYS 12 11.239 9.369 6.702 77 1HB LYS 12 HB2 LYS 12 13.687 7.935 7.191 78 2HB LYS 12 HB3 LYS 12 12.620 7.733 8.566 79 1HG LYS 12 HG2 LYS 12 12.044 5.985 7.016 80 2HG LYS 12 HG3 LYS 12 10.746 7.159 6.926 81 1HD LYS 12 HD2 LYS 12 11.140 6.911 4.658 82 2HD LYS 12 HD3 LYS 12 12.284 8.199 4.980 83 1HE LYS 12 HE2 LYS 12 14.135 6.607 5.166 84 2HE LYS 12 HE3 LYS 12 13.037 5.242 5.107 85 1HZ LYS 12 HZ1 LYS 12 12.399 5.997 2.833 86 2HZ LYS 12 HZ2 LYS 12 13.538 7.160 2.895 87 H LEU 13 HN LEU 13 10.010 9.070 8.765 88 HA LEU 13 HA LEU 13 10.647 11.241 10.586 89 1HB LEU 13 HB2 LEU 13 8.223 9.576 10.007 90 2HB LEU 13 HB3 LEU 13 8.349 10.442 11.526 91 HG LEU 13 HG LEU 13 7.063 11.668 9.818 92 1HD1 LEU 13 HD11 LEU 13 8.397 12.797 11.652 93 2HD1 LEU 13 HD12 LEU 13 9.622 13.161 10.413 94 3HD1 LEU 13 HD13 LEU 13 7.971 13.807 10.250 95 1HD2 LEU 13 HD21 LEU 13 8.069 12.584 7.845 96 2HD2 LEU 13 HD22 LEU 13 9.666 11.941 8.296 97 3HD2 LEU 13 HD23 LEU 13 8.351 10.827 7.854 98 H SER 14 HN SER 14 11.719 10.923 12.458 99 HA SER 14 HA SER 14 12.356 8.266 13.211 100 1HB SER 14 HB2 SER 14 13.611 9.380 15.066 101 2HB SER 14 HB3 SER 14 14.016 10.029 13.489 102 HG SER 14 HG SER 14 12.130 11.209 15.348 103 H CYS 15 HN CYS 15 10.523 7.130 13.931 104 HA CYS 15 HA CYS 15 8.566 8.381 15.540 105 1HB CYS 15 HB2 CYS 15 7.558 6.182 15.691 106 2HB CYS 15 HB3 CYS 15 7.996 6.568 14.039 107 H VAL 16 HN VAL 16 8.191 8.081 17.827 108 HA VAL 16 HA VAL 16 10.402 6.760 19.246 109 HB VAL 16 HB VAL 16 9.877 8.258 21.119 110 1HG1 VAL 16 HG11 VAL 16 11.650 8.846 19.516 111 2HG1 VAL 16 HG12 VAL 16 10.463 9.732 18.529 112 3HG1 VAL 16 HG13 VAL 16 10.852 10.295 20.172 113 1HG2 VAL 16 HG21 VAL 16 8.376 10.123 20.910 114 2HG2 VAL 16 HG22 VAL 16 8.059 9.746 19.200 115 3HG2 VAL 16 HG23 VAL 16 7.480 8.648 20.475 116 H ALA 17 HN ALA 17 7.294 6.342 18.142 117 HA ALA 17 HA ALA 17 6.588 4.372 20.020 118 1HB ALA 17 HB1 ALA 17 6.224 6.285 21.511 119 2HB ALA 17 HB2 ALA 17 5.190 7.065 20.290 120 3HB ALA 17 HB3 ALA 17 4.665 5.552 21.065 121 H ASN 18 HN ASN 18 4.383 3.471 19.502 122 HA ASN 18 HA ASN 18 4.316 3.280 16.716 123 1HB ASN 18 HB2 ASN 18 2.507 2.224 18.940 124 2HB ASN 18 HB3 ASN 18 2.185 1.868 17.255 125 1HD2 ASN 18 HD21 ASN 18 4.743 -0.369 19.325 126 2HD2 ASN 18 HD22 ASN 18 3.513 0.679 19.950 127 H ASN 19 HN ASN 19 2.261 4.832 19.246 128 HA ASN 19 HA ASN 19 0.174 5.540 17.558 129 1HB ASN 19 HB2 ASN 19 -0.331 7.252 19.382 130 2HB ASN 19 HB3 ASN 19 -0.133 5.615 19.975 131 1HD2 ASN 19 HD21 ASN 19 2.282 8.647 21.175 132 2HD2 ASN 19 HD22 ASN 19 0.963 8.832 20.067 133 H TYR 20 HN TYR 20 3.373 6.928 18.308 134 HA TYR 20 HA TYR 20 2.739 9.548 17.344 135 1HB TYR 20 HB2 TYR 20 4.436 8.955 19.139 136 2HB TYR 20 HB3 TYR 20 5.333 8.005 17.972 137 HD1 TYR 20 HD1 TYR 20 4.673 11.345 19.255 138 HD2 TYR 20 HD2 TYR 20 6.560 9.142 16.111 139 HE1 TYR 20 HE1 TYR 20 6.049 13.392 18.637 140 HE2 TYR 20 HE2 TYR 20 7.930 11.196 15.503 141 HH TYR 20 HH TYR 20 8.395 13.247 15.968 142 H CYS 21 HN CYS 21 4.027 6.522 15.988 143 HA CYS 21 HA CYS 21 4.760 7.720 13.520 144 1HB CYS 21 HB2 CYS 21 5.739 5.632 14.044 145 2HB CYS 21 HB3 CYS 21 4.188 4.889 14.382 146 H ASP 22 HN ASP 22 1.851 5.947 14.824 147 HA ASP 22 HA ASP 22 0.754 5.534 12.353 148 1HB ASP 22 HB2 ASP 22 0.101 4.383 14.488 149 2HB ASP 22 HB3 ASP 22 -0.681 5.854 15.032 150 HD2 ASP 22 HD2 ASP 22 -3.573 5.203 13.270 151 H ASN 23 HN ASN 23 0.161 8.116 14.838 152 HA ASN 23 HA ASN 23 -2.031 9.217 13.567 153 1HB ASN 23 HB2 ASN 23 -1.639 11.168 15.067 154 2HB ASN 23 HB3 ASN 23 -1.429 9.666 15.946 155 1HD2 ASN 23 HD21 ASN 23 1.364 12.184 16.536 156 2HD2 ASN 23 HD22 ASN 23 -0.365 12.290 16.519 157 H GLN 24 HN GLN 24 1.483 9.558 13.147 158 HA GLN 24 HA GLN 24 1.245 12.037 11.746 159 1HB GLN 24 HB2 GLN 24 3.203 11.402 13.234 160 2HB GLN 24 HB3 GLN 24 3.679 10.223 12.028 161 1HG GLN 24 HG2 GLN 24 4.049 11.946 10.356 162 2HG GLN 24 HG3 GLN 24 3.279 13.168 11.349 163 1HE2 GLN 24 HE21 GLN 24 6.404 14.211 12.427 164 2HE2 GLN 24 HE22 GLN 24 4.947 14.544 11.552 165 H CYS 25 HN CYS 25 1.196 8.607 11.030 166 HA CYS 25 HA CYS 25 1.938 8.924 8.291 167 1HB CYS 25 HB2 CYS 25 0.713 6.620 9.816 168 2HB CYS 25 HB3 CYS 25 1.121 6.554 8.113 169 H LYS 26 HN LYS 26 -1.087 8.627 10.266 170 HA LYS 26 HA LYS 26 -2.607 8.074 7.891 171 1HB LYS 26 HB2 LYS 26 -4.429 7.642 9.416 172 2HB LYS 26 HB3 LYS 26 -2.980 6.846 9.996 173 1HG LYS 26 HG2 LYS 26 -3.003 8.036 11.932 174 2HG LYS 26 HG3 LYS 26 -3.121 9.557 11.072 175 1HD LYS 26 HD2 LYS 26 -5.529 7.730 11.461 176 2HD LYS 26 HD3 LYS 26 -5.085 8.946 12.642 177 1HE LYS 26 HE2 LYS 26 -5.169 10.679 10.758 178 2HE LYS 26 HE3 LYS 26 -5.825 9.430 9.719 179 1HZ LYS 26 HZ1 LYS 26 -7.064 10.402 12.238 180 2HZ LYS 26 HZ2 LYS 26 -7.624 10.665 10.731 181 H MET 27 HN MET 27 -1.477 10.869 9.479 182 HA MET 27 HA MET 27 -3.712 12.461 9.536 183 1HB MET 27 HB2 MET 27 -2.105 14.304 9.700 184 2HB MET 27 HB3 MET 27 -1.396 12.925 10.516 185 1HG MET 27 HG2 MET 27 -0.177 12.370 8.330 186 2HG MET 27 HG3 MET 27 -0.760 13.894 7.690 187 1HE MET 27 HE1 MET 27 2.943 14.781 8.426 188 2HE MET 27 HE2 MET 27 2.255 13.288 7.743 189 3HE MET 27 HE3 MET 27 1.604 14.872 7.256 190 H LYS 28 HN LYS 28 -1.783 11.338 6.817 191 HA LYS 28 HA LYS 28 -3.521 12.657 4.970 192 1HB LYS 28 HB2 LYS 28 -2.006 14.514 5.512 193 2HB LYS 28 HB3 LYS 28 -0.618 13.526 5.105 194 1HG LYS 28 HG2 LYS 28 -1.565 13.245 2.768 195 2HG LYS 28 HG3 LYS 28 -2.857 14.348 3.197 196 1HD LYS 28 HD2 LYS 28 0.081 15.113 3.469 197 2HD LYS 28 HD3 LYS 28 -0.812 15.364 1.982 198 1HE LYS 28 HE2 LYS 28 -2.529 16.693 3.319 199 2HE LYS 28 HE3 LYS 28 -1.482 16.550 4.716 200 1HZ LYS 28 HZ1 LYS 28 -1.081 18.622 3.489 201 2HZ LYS 28 HZ2 LYS 28 0.262 17.701 3.470 202 H LYS 29 HN LYS 29 -0.306 10.996 5.414 203 HA LYS 29 HA LYS 29 -0.229 10.370 2.665 204 1HB LYS 29 HB2 LYS 29 1.450 9.431 5.008 205 2HB LYS 29 HB3 LYS 29 1.805 9.063 3.333 206 1HG LYS 29 HG2 LYS 29 1.393 11.935 4.247 207 2HG LYS 29 HG3 LYS 29 2.952 11.152 4.417 208 1HD LYS 29 HD2 LYS 29 3.096 10.753 2.006 209 2HD LYS 29 HD3 LYS 29 1.444 11.287 1.766 210 1HE LYS 29 HE2 LYS 29 2.921 13.117 1.134 211 2HE LYS 29 HE3 LYS 29 2.097 13.579 2.609 212 1HZ LYS 29 HZ1 LYS 29 4.854 12.478 2.470 213 2HZ LYS 29 HZ2 LYS 29 4.467 14.028 2.789 214 H ALA 30 HN ALA 30 -1.188 8.540 5.631 215 HA ALA 30 HA ALA 30 -1.435 6.167 3.913 216 1HB ALA 30 HB1 ALA 30 0.611 6.532 5.626 217 2HB ALA 30 HB2 ALA 30 -0.590 5.880 6.767 218 3HB ALA 30 HB3 ALA 30 -0.118 4.935 5.334 219 H SER 31 HN SER 31 -2.618 4.357 5.455 220 HA SER 31 HA SER 31 -4.946 5.685 6.533 221 1HB SER 31 HB2 SER 31 -5.986 3.498 6.543 222 2HB SER 31 HB3 SER 31 -5.176 3.699 5.002 223 HG SER 31 HG SER 31 -4.788 1.594 6.002 224 H GLY 32 HN GLY 32 -2.058 3.814 7.469 225 1HA GLY 32 HA1 GLY 32 -2.436 4.622 10.228 226 2HA GLY 32 HA2 GLY 32 -2.515 2.894 9.945 227 H GLY 33 HN GLY 33 -0.526 3.052 11.445 228 1HA GLY 33 HA1 GLY 33 1.726 2.423 9.866 229 2HA GLY 33 HA2 GLY 33 1.933 4.021 10.554 230 H HIS 34 HN HIS 34 3.657 1.917 11.285 231 HA HIS 34 HA HIS 34 3.104 2.041 14.124 232 1HB HIS 34 HB2 HIS 34 2.915 -0.393 12.596 233 2HB HIS 34 HB3 HIS 34 4.278 -0.507 13.692 234 HD1 HIS 34 HD1 HIS 34 0.750 0.961 14.147 235 HD2 HIS 34 HD2 HIS 34 3.392 -1.761 15.937 236 HE1 HIS 34 HE1 HIS 34 -0.425 0.096 16.241 237 H CYS 35 HN CYS 35 5.187 1.453 15.393 238 HA CYS 35 HA CYS 35 7.203 3.020 14.011 239 1HB CYS 35 HB2 CYS 35 6.407 3.901 16.116 240 2HB CYS 35 HB3 CYS 35 6.779 2.399 16.939 241 H TYR 36 HN TYR 36 8.539 1.618 12.832 242 HA TYR 36 HA TYR 36 9.618 -0.717 14.162 243 1HB TYR 36 HB2 TYR 36 9.046 -0.181 11.595 244 2HB TYR 36 HB3 TYR 36 10.568 0.688 11.609 245 HD1 TYR 36 HD1 TYR 36 9.193 -2.681 12.539 246 HD2 TYR 36 HD2 TYR 36 12.496 -0.449 10.984 247 HE1 TYR 36 HE1 TYR 36 10.442 -4.844 12.066 248 HE2 TYR 36 HE2 TYR 36 13.733 -2.620 10.517 249 HH TYR 36 HH TYR 36 12.239 -5.751 11.301 250 H ALA 37 HN ALA 37 12.081 -0.984 14.207 251 HA ALA 37 HA ALA 37 12.902 0.822 16.133 252 1HB ALA 37 HB1 ALA 37 13.691 -1.495 15.974 253 2HB ALA 37 HB2 ALA 37 14.516 -1.129 14.440 254 3HB ALA 37 HB3 ALA 37 15.073 -0.375 15.953 255 H MET 38 HN MET 38 13.302 0.806 12.600 256 HA MET 38 HA MET 38 15.439 2.669 12.661 257 1HB MET 38 HB2 MET 38 13.580 1.634 10.452 258 2HB MET 38 HB3 MET 38 14.915 2.721 10.128 259 1HG MET 38 HG2 MET 38 15.311 0.067 11.579 260 2HG MET 38 HG3 MET 38 15.376 0.190 9.832 261 1HE MET 38 HE1 MET 38 17.812 -0.839 10.052 262 2HE MET 38 HE2 MET 38 19.140 -0.074 10.956 263 3HE MET 38 HE3 MET 38 17.762 -0.784 11.831 264 H SER 39 HN SER 39 11.884 2.817 11.919 265 HA SER 39 HA SER 39 11.797 5.600 12.248 266 1HB SER 39 HB2 SER 39 11.865 4.558 9.382 267 2HB SER 39 HB3 SER 39 11.370 6.178 9.829 268 HG SER 39 HG SER 39 13.634 6.120 10.999 269 H CYS 40 HN CYS 40 9.574 6.441 11.204 270 HA CYS 40 HA CYS 40 7.527 4.751 12.058 271 1HB CYS 40 HB2 CYS 40 7.232 7.128 12.053 272 2HB CYS 40 HB3 CYS 40 7.512 7.225 10.326 273 H TYR 41 HN TYR 41 7.108 2.792 11.063 274 HA TYR 41 HA TYR 41 7.280 2.610 8.173 275 1HB TYR 41 HB2 TYR 41 8.032 0.788 9.770 276 2HB TYR 41 HB3 TYR 41 6.425 0.736 10.467 277 HD1 TYR 41 HD1 TYR 41 8.321 0.105 7.320 278 HD2 TYR 41 HD2 TYR 41 4.737 -0.640 9.534 279 HE1 TYR 41 HE1 TYR 41 7.641 -1.674 5.636 280 HE2 TYR 41 HE2 TYR 41 4.069 -2.416 7.842 281 HH TYR 41 HH TYR 41 6.150 -3.112 5.044 282 H CYS 42 HN CYS 42 5.609 3.567 7.068 283 HA CYS 42 HA CYS 42 3.088 3.803 8.450 284 1HB CYS 42 HB2 CYS 42 4.120 4.999 5.873 285 2HB CYS 42 HB3 CYS 42 2.501 5.263 6.490 286 H GLU 43 HN GLU 43 1.017 3.262 7.246 287 HA GLU 43 HA GLU 43 1.439 0.982 5.503 288 1HB GLU 43 HB2 GLU 43 -0.029 0.928 8.171 289 2HB GLU 43 HB3 GLU 43 -0.232 -0.314 6.951 290 1HG GLU 43 HG2 GLU 43 2.294 -0.661 6.986 291 2HG GLU 43 HG3 GLU 43 2.380 0.456 8.333 292 HE2 GLU 43 HE2 GLU 43 1.127 -0.034 10.064 293 H GLY 44 HN GLY 44 -0.235 0.653 4.004 294 1HA GLY 44 HA1 GLY 44 -2.257 0.958 3.002 295 2HA GLY 44 HA2 GLY 44 -2.796 1.935 4.354 296 H LEU 45 HN LEU 45 0.231 2.444 2.462 297 HA LEU 45 HA LEU 45 -0.601 5.099 1.783 298 1HB LEU 45 HB2 LEU 45 1.812 3.502 0.914 299 2HB LEU 45 HB3 LEU 45 1.569 5.220 0.668 300 HG LEU 45 HG LEU 45 1.472 4.163 3.468 301 1HD1 LEU 45 HD11 LEU 45 3.442 3.069 2.476 302 2HD1 LEU 45 HD12 LEU 45 4.062 4.660 1.974 303 3HD1 LEU 45 HD13 LEU 45 3.886 4.280 3.704 304 1HD2 LEU 45 HD21 LEU 45 2.587 6.724 2.292 305 2HD2 LEU 45 HD22 LEU 45 0.952 6.525 2.968 306 3HD2 LEU 45 HD23 LEU 45 2.377 6.340 4.018 307 HA PRO 46 HA PRO 46 -1.844 4.107 -2.369 308 1HB PRO 46 HB2 PRO 46 -1.571 6.583 -3.494 309 2HB PRO 46 HB3 PRO 46 -3.030 6.056 -2.680 310 1HG PRO 46 HG2 PRO 46 -0.946 7.922 -1.725 311 2HG PRO 46 HG3 PRO 46 -2.583 7.712 -1.137 312 1HD PRO 46 HD2 PRO 46 -0.179 6.747 0.095 313 2HD PRO 46 HD3 PRO 46 -1.823 6.438 0.620 314 H GLU 47 HN GLU 47 -0.940 4.025 -4.595 315 HA GLU 47 HA GLU 47 1.667 3.059 -3.990 316 1HB GLU 47 HB2 GLU 47 -0.064 2.908 -6.493 317 2HB GLU 47 HB3 GLU 47 1.512 2.153 -6.372 318 1HG GLU 47 HG2 GLU 47 0.732 0.831 -4.397 319 2HG GLU 47 HG3 GLU 47 -0.842 1.593 -4.506 320 HE2 GLU 47 HE2 GLU 47 -1.853 -0.404 -7.170 321 H ASN 48 HN ASN 48 0.396 6.010 -5.124 322 HA ASN 48 HA ASN 48 2.316 6.573 -7.096 323 1HB ASN 48 HB2 ASN 48 1.441 8.894 -6.935 324 2HB ASN 48 HB3 ASN 48 0.114 7.749 -6.951 325 1HD2 ASN 48 HD21 ASN 48 -0.133 10.419 -4.224 326 2HD2 ASN 48 HD22 ASN 48 0.278 10.472 -5.906 327 H ALA 49 HN ALA 49 2.206 6.609 -3.587 328 HA ALA 49 HA ALA 49 4.272 8.583 -3.268 329 1HB ALA 49 HB1 ALA 49 2.454 8.299 -1.620 330 2HB ALA 49 HB2 ALA 49 2.992 6.630 -1.312 331 3HB ALA 49 HB3 ALA 49 4.045 7.999 -0.881 332 H LYS 50 HN LYS 50 6.448 8.229 -3.232 333 HA LYS 50 HA LYS 50 7.368 5.567 -3.780 334 1HB LYS 50 HB2 LYS 50 8.278 7.611 -4.885 335 2HB LYS 50 HB3 LYS 50 8.938 8.125 -3.346 336 1HG LYS 50 HG2 LYS 50 9.594 5.324 -4.200 337 2HG LYS 50 HG3 LYS 50 10.331 6.610 -5.135 338 1HD LYS 50 HD2 LYS 50 11.309 7.600 -3.101 339 2HD LYS 50 HD3 LYS 50 10.460 6.450 -2.087 340 1HE LYS 50 HE2 LYS 50 11.703 4.576 -3.291 341 2HE LYS 50 HE3 LYS 50 12.636 5.799 -4.131 342 1HZ LYS 50 HZ1 LYS 50 13.367 6.630 -1.932 343 2HZ LYS 50 HZ2 LYS 50 12.546 5.441 -1.183 344 H VAL 51 HN VAL 51 8.285 4.120 -2.379 345 HA VAL 51 HA VAL 51 8.746 5.091 0.353 346 HB VAL 51 HB VAL 51 7.697 3.187 1.264 347 1HG1 VAL 51 HG11 VAL 51 6.177 5.001 0.524 348 2HG1 VAL 51 HG12 VAL 51 5.924 4.137 -1.012 349 3HG1 VAL 51 HG13 VAL 51 5.391 3.404 0.521 350 1HG2 VAL 51 HG21 VAL 51 7.526 2.124 -1.572 351 2HG2 VAL 51 HG22 VAL 51 8.444 1.445 -0.207 352 3HG2 VAL 51 HG23 VAL 51 6.665 1.409 -0.188 353 H SER 52 HN SER 52 10.569 4.154 1.431 354 HA SER 52 HA SER 52 12.134 2.327 -0.155 355 1HB SER 52 HB2 SER 52 13.420 3.959 1.054 356 2HB SER 52 HB3 SER 52 12.542 3.668 2.542 357 HG SER 52 HG SER 52 14.543 2.047 1.276 358 H ASP 53 HN ASP 53 12.556 0.086 0.524 359 HA ASP 53 HA ASP 53 11.320 -0.580 3.075 360 1HB ASP 53 HB2 ASP 53 11.041 -2.913 2.258 361 2HB ASP 53 HB3 ASP 53 10.117 -1.777 1.295 362 HD2 ASP 53 HD2 ASP 53 12.844 -3.708 1.404 363 H SER 54 HN SER 54 13.976 0.525 2.636 364 HA SER 54 HA SER 54 15.658 -1.855 2.747 365 1HB SER 54 HB2 SER 54 17.412 -0.380 1.576 366 2HB SER 54 HB3 SER 54 16.077 -0.947 0.592 367 HG SER 54 HG SER 54 16.396 1.289 0.205 368 H ALA 55 HN ALA 55 14.612 -0.647 5.093 369 HA ALA 55 HA ALA 55 15.423 -0.268 7.115 370 1HB ALA 55 HB1 ALA 55 17.733 -0.928 7.564 371 2HB ALA 55 HB2 ALA 55 17.006 -2.060 6.398 372 3HB ALA 55 HB3 ALA 55 18.133 -0.804 5.834 373 H THR 56 HN THR 56 14.937 1.993 5.375 374 HA THR 56 HA THR 56 15.176 4.204 5.480 375 HB THR 56 HB THR 56 16.423 3.548 8.202 376 HG1 THR 56 HG1 THR 56 14.319 2.532 7.722 377 1HG2 THR 56 HG21 THR 56 15.596 5.694 8.908 378 2HG2 THR 56 HG22 THR 56 16.407 6.018 7.358 379 3HG2 THR 56 HG23 THR 56 14.632 5.893 7.425 380 H ASN 57 HN ASN 57 16.724 3.884 3.640 381 HA ASN 57 HA ASN 57 19.483 4.019 4.401 382 1HB ASN 57 HB2 ASN 57 19.923 3.767 1.988 383 2HB ASN 57 HB3 ASN 57 18.700 2.607 2.465 384 1HD2 ASN 57 HD21 ASN 57 16.026 4.015 0.680 385 2HD2 ASN 57 HD22 ASN 57 16.604 2.808 1.779 386 H ILE 58 HN ILE 58 16.847 6.147 3.756 387 HA ILE 58 HA ILE 58 18.574 8.277 2.764 388 HB ILE 58 HB ILE 58 15.576 8.157 3.115 389 1HG1 ILE 58 HG12 ILE 58 17.322 7.739 0.673 390 2HG1 ILE 58 HG13 ILE 58 16.285 6.556 1.446 391 1HG2 ILE 58 HG21 ILE 58 16.565 10.440 3.246 392 2HG2 ILE 58 HG22 ILE 58 17.244 10.195 1.619 393 3HG2 ILE 58 HG23 ILE 58 15.480 10.199 1.855 394 1HD1 ILE 58 HD11 ILE 58 14.333 8.213 0.998 395 2HD1 ILE 58 HD12 ILE 58 15.465 9.042 -0.098 396 3HD1 ILE 58 HD13 ILE 58 15.010 7.349 -0.403 397 H CYS 59 HN CYS 59 18.946 10.233 3.970 398 HA CYS 59 HA CYS 59 20.022 10.833 5.793 399 1HB CYS 59 HB2 CYS 59 17.231 10.401 6.783 400 2HB CYS 59 HB3 CYS 59 18.490 10.781 7.941 401 H GLY 60 HN GLY 60 17.900 8.389 7.427 402 1HA GLY 60 HA1 GLY 60 18.411 6.624 8.721 403 2HA GLY 60 HA2 GLY 60 19.806 6.349 7.697 Start of MODEL 4 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -0.993 0.307 3 1HB LYS 1 HB2 LYS 1 3.034 -0.070 -1.466 4 2HB LYS 1 HB3 LYS 1 1.440 -0.385 -2.122 5 1HG LYS 1 HG2 LYS 1 0.877 2.080 -1.527 6 2HG LYS 1 HG3 LYS 1 2.596 2.300 -1.265 7 1HD LYS 1 HD2 LYS 1 2.933 1.313 -3.640 8 2HD LYS 1 HD3 LYS 1 1.204 1.497 -3.854 9 1HE LYS 1 HE2 LYS 1 3.281 3.672 -3.409 10 2HE LYS 1 HE3 LYS 1 2.156 3.507 -4.742 11 1HZ LYS 1 HZ1 LYS 1 1.555 5.185 -2.946 12 2HZ LYS 1 HZ2 LYS 1 0.364 4.155 -3.359 13 H ASP 2 HN ASP 2 3.856 0.221 0.954 14 HA ASP 2 HA ASP 2 3.067 2.440 2.661 15 1HB ASP 2 HB2 ASP 2 4.818 0.089 3.515 16 2HB ASP 2 HB3 ASP 2 4.353 1.443 4.525 17 HD2 ASP 2 HD2 ASP 2 3.998 -0.960 5.248 18 H GLY 3 HN GLY 3 4.940 3.836 3.266 19 1HA GLY 3 HA1 GLY 3 7.567 3.476 2.970 20 2HA GLY 3 HA2 GLY 3 7.088 3.758 1.309 21 H TYR 4 HN TYR 4 8.313 5.762 1.282 22 HA TYR 4 HA TYR 4 7.097 7.895 2.894 23 1HB TYR 4 HB2 TYR 4 9.661 7.880 1.201 24 2HB TYR 4 HB3 TYR 4 9.267 9.005 2.485 25 HD1 TYR 4 HD1 TYR 4 9.076 8.042 4.890 26 HD2 TYR 4 HD2 TYR 4 10.951 5.968 1.652 27 HE1 TYR 4 HE1 TYR 4 10.340 6.584 6.546 28 HE2 TYR 4 HE2 TYR 4 12.209 4.517 3.318 29 HH TYR 4 HH TYR 4 12.565 4.060 5.393 30 HA PRO 5 HA PRO 5 5.409 9.143 -0.983 31 1HB PRO 5 HB2 PRO 5 3.560 10.877 0.038 32 2HB PRO 5 HB3 PRO 5 3.243 9.170 -0.201 33 1HG PRO 5 HG2 PRO 5 3.771 10.622 2.320 34 2HG PRO 5 HG3 PRO 5 3.046 9.042 2.094 35 1HD PRO 5 HD2 PRO 5 5.726 9.594 2.955 36 2HD PRO 5 HD3 PRO 5 5.037 8.019 2.618 37 H VAL 6 HN VAL 6 5.981 10.682 -2.440 38 HA VAL 6 HA VAL 6 6.686 13.252 -1.233 39 HB VAL 6 HB VAL 6 8.621 13.444 -2.671 40 1HG1 VAL 6 HG11 VAL 6 8.800 12.397 -0.387 41 2HG1 VAL 6 HG12 VAL 6 8.791 10.806 -1.185 42 3HG1 VAL 6 HG13 VAL 6 10.105 11.959 -1.515 43 1HG2 VAL 6 HG21 VAL 6 9.462 11.403 -3.894 44 2HG2 VAL 6 HG22 VAL 6 7.867 10.664 -3.616 45 3HG2 VAL 6 HG23 VAL 6 8.003 12.150 -4.586 46 H ASP 7 HN ASP 7 5.707 14.948 -2.246 47 HA ASP 7 HA ASP 7 5.254 14.990 -4.983 48 1HB ASP 7 HB2 ASP 7 2.587 15.144 -4.493 49 2HB ASP 7 HB3 ASP 7 3.374 13.670 -5.020 50 HD2 ASP 7 HD2 ASP 7 1.760 12.252 -2.308 51 H SER 8 HN SER 8 3.246 15.921 -2.072 52 HA SER 8 HA SER 8 3.041 18.555 -3.141 53 1HB SER 8 HB2 SER 8 1.660 18.856 -0.936 54 2HB SER 8 HB3 SER 8 1.019 17.830 -2.204 55 HG SER 8 HG SER 8 2.339 17.028 0.236 56 H LYS 9 HN LYS 9 4.773 16.840 -0.541 57 HA LYS 9 HA LYS 9 5.644 19.248 0.738 58 1HB LYS 9 HB2 LYS 9 6.886 17.793 2.182 59 2HB LYS 9 HB3 LYS 9 5.297 17.099 1.936 60 1HG LYS 9 HG2 LYS 9 6.635 15.904 -0.130 61 2HG LYS 9 HG3 LYS 9 7.966 16.120 0.989 62 1HD LYS 9 HD2 LYS 9 7.097 14.003 1.593 63 2HD LYS 9 HD3 LYS 9 6.395 15.075 2.789 64 1HE LYS 9 HE2 LYS 9 4.283 15.190 1.519 65 2HE LYS 9 HE3 LYS 9 4.978 14.260 0.207 66 1HZ LYS 9 HZ1 LYS 9 5.253 12.392 1.775 67 2HZ LYS 9 HZ2 LYS 9 4.571 13.257 2.975 68 H GLY 10 HN GLY 10 6.573 17.343 -2.039 69 1HA GLY 10 HA1 GLY 10 8.174 17.963 -3.591 70 2HA GLY 10 HA2 GLY 10 8.943 19.007 -2.413 71 H CYS 11 HN CYS 11 9.945 17.811 -0.421 72 HA CYS 11 HA CYS 11 11.134 15.313 -1.352 73 1HB CYS 11 HB2 CYS 11 12.627 17.811 -0.551 74 2HB CYS 11 HB3 CYS 11 13.362 16.220 -0.521 75 H LYS 12 HN LYS 12 9.705 14.349 0.308 76 HA LYS 12 HA LYS 12 9.742 13.189 2.191 77 1HB LYS 12 HB2 LYS 12 12.440 14.210 2.033 78 2HB LYS 12 HB3 LYS 12 11.927 14.153 3.707 79 1HG LYS 12 HG2 LYS 12 12.833 11.984 3.258 80 2HG LYS 12 HG3 LYS 12 11.095 11.761 3.259 81 1HD LYS 12 HD2 LYS 12 11.085 11.957 0.752 82 2HD LYS 12 HD3 LYS 12 12.828 12.134 0.769 83 1HE LYS 12 HE2 LYS 12 13.098 9.888 1.751 84 2HE LYS 12 HE3 LYS 12 11.363 9.713 1.922 85 1HZ LYS 12 HZ1 LYS 12 11.138 9.749 -0.475 86 2HZ LYS 12 HZ2 LYS 12 12.717 10.079 -0.697 87 H LEU 13 HN LEU 13 9.168 13.406 4.513 88 HA LEU 13 HA LEU 13 7.824 15.980 4.795 89 1HB LEU 13 HB2 LEU 13 6.623 13.732 4.757 90 2HB LEU 13 HB3 LEU 13 7.309 13.449 6.345 91 HG LEU 13 HG LEU 13 6.214 15.689 7.019 92 1HD1 LEU 13 HD11 LEU 13 4.206 16.297 5.732 93 2HD1 LEU 13 HD12 LEU 13 5.701 16.513 4.791 94 3HD1 LEU 13 HD13 LEU 13 4.653 15.107 4.486 95 1HD2 LEU 13 HD21 LEU 13 4.628 13.181 6.425 96 2HD2 LEU 13 HD22 LEU 13 5.434 13.640 7.944 97 3HD2 LEU 13 HD23 LEU 13 4.005 14.543 7.388 98 H SER 14 HN SER 14 10.344 13.933 6.181 99 HA SER 14 HA SER 14 11.608 14.094 7.939 100 1HB SER 14 HB2 SER 14 11.012 17.083 7.794 101 2HB SER 14 HB3 SER 14 12.357 16.356 8.650 102 HG SER 14 HG SER 14 11.884 16.231 5.793 103 H CYS 15 HN CYS 15 9.909 12.905 9.174 104 HA CYS 15 HA CYS 15 7.905 14.265 10.561 105 1HB CYS 15 HB2 CYS 15 7.641 12.168 11.821 106 2HB CYS 15 HB3 CYS 15 7.670 11.938 10.084 107 H VAL 16 HN VAL 16 7.803 14.904 12.805 108 HA VAL 16 HA VAL 16 10.433 15.237 14.040 109 HB VAL 16 HB VAL 16 7.762 16.515 14.659 110 1HG1 VAL 16 HG11 VAL 16 10.550 17.008 15.747 111 2HG1 VAL 16 HG12 VAL 16 9.190 18.137 15.956 112 3HG1 VAL 16 HG13 VAL 16 9.100 16.499 16.646 113 1HG2 VAL 16 HG21 VAL 16 10.159 17.561 13.118 114 2HG2 VAL 16 HG22 VAL 16 8.530 17.233 12.480 115 3HG2 VAL 16 HG23 VAL 16 8.779 18.554 13.648 116 H ALA 17 HN ALA 17 7.568 13.283 14.110 117 HA ALA 17 HA ALA 17 8.218 11.997 16.538 118 1HB ALA 17 HB1 ALA 17 6.270 12.836 17.855 119 2HB ALA 17 HB2 ALA 17 7.485 14.099 17.545 120 3HB ALA 17 HB3 ALA 17 5.980 14.061 16.597 121 H ASN 18 HN ASN 18 6.311 10.488 17.183 122 HA ASN 18 HA ASN 18 5.795 9.084 14.838 123 1HB ASN 18 HB2 ASN 18 4.652 8.775 17.664 124 2HB ASN 18 HB3 ASN 18 4.421 7.591 16.393 125 1HD2 ASN 18 HD21 ASN 18 7.245 6.413 18.423 126 2HD2 ASN 18 HD22 ASN 18 5.543 6.693 18.586 127 H ASN 19 HN ASN 19 3.765 11.037 17.122 128 HA ASN 19 HA ASN 19 1.344 10.431 15.892 129 1HB ASN 19 HB2 ASN 19 0.513 12.463 17.172 130 2HB ASN 19 HB3 ASN 19 1.395 11.325 18.170 131 1HD2 ASN 19 HD21 ASN 19 2.459 15.004 18.527 132 2HD2 ASN 19 HD22 ASN 19 0.910 14.242 18.382 133 H TYR 20 HN TYR 20 3.830 13.002 15.491 134 HA TYR 20 HA TYR 20 2.355 14.750 13.895 135 1HB TYR 20 HB2 TYR 20 4.572 15.175 15.028 136 2HB TYR 20 HB3 TYR 20 5.329 13.951 14.029 137 HD1 TYR 20 HD1 TYR 20 5.647 14.365 11.574 138 HD2 TYR 20 HD2 TYR 20 4.242 17.413 14.227 139 HE1 TYR 20 HE1 TYR 20 6.232 16.143 9.853 140 HE2 TYR 20 HE2 TYR 20 4.831 19.180 12.497 141 HH TYR 20 HH TYR 20 6.268 18.244 9.381 142 H CYS 21 HN CYS 21 4.331 11.843 13.092 143 HA CYS 21 HA CYS 21 4.060 12.117 10.314 144 1HB CYS 21 HB2 CYS 21 5.761 10.698 11.099 145 2HB CYS 21 HB3 CYS 21 4.670 9.801 12.136 146 H ASP 22 HN ASP 22 2.256 10.131 12.802 147 HA ASP 22 HA ASP 22 0.945 8.666 10.909 148 1HB ASP 22 HB2 ASP 22 1.154 8.164 13.383 149 2HB ASP 22 HB3 ASP 22 -0.058 9.389 13.703 150 HD2 ASP 22 HD2 ASP 22 -1.347 7.969 14.582 151 H ASN 23 HN ASN 23 -0.041 11.649 12.725 152 HA ASN 23 HA ASN 23 -2.699 11.543 11.932 153 1HB ASN 23 HB2 ASN 23 -2.909 13.648 13.030 154 2HB ASN 23 HB3 ASN 23 -1.551 12.907 13.854 155 1HD2 ASN 23 HD21 ASN 23 -1.157 16.293 11.593 156 2HD2 ASN 23 HD22 ASN 23 -2.624 15.379 11.689 157 H GLN 24 HN GLN 24 0.285 12.742 10.446 158 HA GLN 24 HA GLN 24 -1.121 14.544 8.713 159 1HB GLN 24 HB2 GLN 24 1.141 15.059 9.729 160 2HB GLN 24 HB3 GLN 24 1.835 13.795 8.732 161 1HG GLN 24 HG2 GLN 24 1.394 14.968 6.706 162 2HG GLN 24 HG3 GLN 24 0.185 15.996 7.451 163 1HE2 GLN 24 HE21 GLN 24 2.815 18.369 7.201 164 2HE2 GLN 24 HE22 GLN 24 1.470 17.661 6.370 165 H CYS 25 HN CYS 25 0.254 11.276 8.688 166 HA CYS 25 HA CYS 25 0.116 10.961 5.877 167 1HB CYS 25 HB2 CYS 25 0.169 8.938 8.125 168 2HB CYS 25 HB3 CYS 25 0.240 8.524 6.424 169 H LYS 26 HN LYS 26 -2.042 10.254 8.711 170 HA LYS 26 HA LYS 26 -3.814 8.753 7.025 171 1HB LYS 26 HB2 LYS 26 -4.806 8.019 8.994 172 2HB LYS 26 HB3 LYS 26 -3.132 8.250 9.458 173 1HG LYS 26 HG2 LYS 26 -3.991 10.723 10.062 174 2HG LYS 26 HG3 LYS 26 -5.546 9.921 10.163 175 1HD LYS 26 HD2 LYS 26 -3.025 9.163 11.714 176 2HD LYS 26 HD3 LYS 26 -4.451 9.937 12.376 177 1HE LYS 26 HE2 LYS 26 -5.814 7.912 11.699 178 2HE LYS 26 HE3 LYS 26 -4.340 7.137 11.155 179 1HZ LYS 26 HZ1 LYS 26 -4.821 6.474 13.419 180 2HZ LYS 26 HZ2 LYS 26 -3.472 7.386 13.452 181 H MET 27 HN MET 27 -3.348 12.061 7.754 182 HA MET 27 HA MET 27 -5.881 13.059 7.737 183 1HB MET 27 HB2 MET 27 -3.605 14.281 7.852 184 2HB MET 27 HB3 MET 27 -3.515 14.134 6.108 185 1HG MET 27 HG2 MET 27 -5.939 15.246 6.178 186 2HG MET 27 HG3 MET 27 -5.440 15.778 7.772 187 1HE MET 27 HE1 MET 27 -2.219 17.821 7.060 188 2HE MET 27 HE2 MET 27 -3.241 17.000 8.264 189 3HE MET 27 HE3 MET 27 -2.160 16.049 7.218 190 H LYS 28 HN LYS 28 -4.052 11.524 5.057 191 HA LYS 28 HA LYS 28 -6.094 11.970 3.142 192 1HB LYS 28 HB2 LYS 28 -5.380 14.301 3.405 193 2HB LYS 28 HB3 LYS 28 -3.718 13.854 3.077 194 1HG LYS 28 HG2 LYS 28 -5.651 12.910 1.021 195 2HG LYS 28 HG3 LYS 28 -5.556 14.654 1.160 196 1HD LYS 28 HD2 LYS 28 -3.057 14.524 0.924 197 2HD LYS 28 HD3 LYS 28 -3.174 12.784 0.750 198 1HE LYS 28 HE2 LYS 28 -3.038 13.725 -1.483 199 2HE LYS 28 HE3 LYS 28 -4.674 13.134 -1.266 200 1HZ LYS 28 HZ1 LYS 28 -3.824 15.966 -0.971 201 2HZ LYS 28 HZ2 LYS 28 -4.708 15.362 -2.197 202 H LYS 29 HN LYS 29 -2.537 11.580 3.749 203 HA LYS 29 HA LYS 29 -2.063 10.702 1.125 204 1HB LYS 29 HB2 LYS 29 -0.374 10.448 3.632 205 2HB LYS 29 HB3 LYS 29 0.193 10.151 2.000 206 1HG LYS 29 HG2 LYS 29 -1.127 12.793 2.720 207 2HG LYS 29 HG3 LYS 29 0.571 12.525 3.057 208 1HD LYS 29 HD2 LYS 29 0.909 11.915 0.619 209 2HD LYS 29 HD3 LYS 29 -0.768 12.326 0.319 210 1HE LYS 29 HE2 LYS 29 -0.269 14.652 1.283 211 2HE LYS 29 HE3 LYS 29 1.426 14.207 1.301 212 1HZ LYS 29 HZ1 LYS 29 -0.321 14.417 -1.084 213 2HZ LYS 29 HZ2 LYS 29 1.019 15.287 -0.764 214 H ALA 30 HN ALA 30 -2.851 8.999 4.192 215 HA ALA 30 HA ALA 30 -2.674 6.450 2.821 216 1HB ALA 30 HB1 ALA 30 -0.337 7.295 3.688 217 2HB ALA 30 HB2 ALA 30 -0.979 6.843 5.285 218 3HB ALA 30 HB3 ALA 30 -0.841 5.617 4.003 219 H SER 31 HN SER 31 -2.852 4.705 4.883 220 HA SER 31 HA SER 31 -5.269 5.539 6.191 221 1HB SER 31 HB2 SER 31 -3.776 2.881 6.316 222 2HB SER 31 HB3 SER 31 -5.385 3.175 6.943 223 HG SER 31 HG SER 31 -6.071 3.688 4.740 224 H GLY 32 HN GLY 32 -1.831 4.886 6.884 225 1HA GLY 32 HA1 GLY 32 -2.136 6.173 9.476 226 2HA GLY 32 HA2 GLY 32 -1.599 4.505 9.509 227 H GLY 33 HN GLY 33 0.339 5.749 10.548 228 1HA GLY 33 HA1 GLY 33 2.443 5.380 8.699 229 2HA GLY 33 HA2 GLY 33 2.207 7.095 8.977 230 H HIS 34 HN HIS 34 4.587 5.689 9.761 231 HA HIS 34 HA HIS 34 4.437 6.573 12.523 232 1HB HIS 34 HB2 HIS 34 4.307 4.054 12.455 233 2HB HIS 34 HB3 HIS 34 5.906 4.045 11.738 234 HD1 HIS 34 HD1 HIS 34 7.892 5.064 13.275 235 HD2 HIS 34 HD2 HIS 34 4.253 4.286 15.212 236 HE1 HIS 34 HE1 HIS 34 8.403 5.043 15.775 237 H CYS 35 HN CYS 35 6.646 7.186 13.368 238 HA CYS 35 HA CYS 35 7.853 8.667 11.212 239 1HB CYS 35 HB2 CYS 35 7.221 9.874 13.201 240 2HB CYS 35 HB3 CYS 35 8.172 8.807 14.214 241 H TYR 36 HN TYR 36 9.475 7.611 10.084 242 HA TYR 36 HA TYR 36 11.414 6.083 11.664 243 1HB TYR 36 HB2 TYR 36 10.146 5.441 9.370 244 2HB TYR 36 HB3 TYR 36 11.322 6.513 8.636 245 HD1 TYR 36 HD1 TYR 36 11.204 3.599 11.003 246 HD2 TYR 36 HD2 TYR 36 13.310 5.595 7.858 247 HE1 TYR 36 HE1 TYR 36 12.890 1.698 10.915 248 HE2 TYR 36 HE2 TYR 36 14.989 3.687 7.782 249 HH TYR 36 HH TYR 36 14.648 0.897 9.961 250 H ALA 37 HN ALA 37 13.778 6.396 10.975 251 HA ALA 37 HA ALA 37 14.398 8.963 11.801 252 1HB ALA 37 HB1 ALA 37 16.111 6.866 10.405 253 2HB ALA 37 HB2 ALA 37 16.733 8.275 11.297 254 3HB ALA 37 HB3 ALA 37 15.832 7.004 12.158 255 H MET 38 HN MET 38 14.043 7.541 8.545 256 HA MET 38 HA MET 38 15.356 9.670 7.250 257 1HB MET 38 HB2 MET 38 13.399 7.509 6.295 258 2HB MET 38 HB3 MET 38 14.223 8.597 5.196 259 1HG MET 38 HG2 MET 38 15.726 6.839 7.188 260 2HG MET 38 HG3 MET 38 15.334 6.300 5.567 261 1HE MET 38 HE1 MET 38 19.204 7.299 5.670 262 2HE MET 38 HE2 MET 38 18.301 6.962 7.166 263 3HE MET 38 HE3 MET 38 18.045 5.950 5.724 264 H SER 39 HN SER 39 11.899 8.810 7.872 265 HA SER 39 HA SER 39 11.044 11.402 7.996 266 1HB SER 39 HB2 SER 39 11.271 10.372 5.229 267 2HB SER 39 HB3 SER 39 9.672 10.982 5.610 268 HG SER 39 HG SER 39 12.176 12.411 5.905 269 H CYS 40 HN CYS 40 8.429 11.392 7.405 270 HA CYS 40 HA CYS 40 7.264 9.450 8.988 271 1HB CYS 40 HB2 CYS 40 6.194 11.565 8.548 272 2HB CYS 40 HB3 CYS 40 6.075 11.209 6.837 273 H TYR 41 HN TYR 41 7.568 7.264 8.497 274 HA TYR 41 HA TYR 41 7.190 6.296 5.823 275 1HB TYR 41 HB2 TYR 41 8.630 5.257 7.658 276 2HB TYR 41 HB3 TYR 41 7.191 5.014 8.628 277 HD1 TYR 41 HD1 TYR 41 5.857 3.073 8.369 278 HD2 TYR 41 HD2 TYR 41 8.829 4.006 5.437 279 HE1 TYR 41 HE1 TYR 41 5.530 0.790 7.299 280 HE2 TYR 41 HE2 TYR 41 8.492 1.720 4.377 281 HH TYR 41 HH TYR 41 6.448 -0.689 5.902 282 H CYS 42 HN CYS 42 5.150 6.703 4.983 283 HA CYS 42 HA CYS 42 2.904 6.573 6.773 284 1HB CYS 42 HB2 CYS 42 3.128 7.308 3.849 285 2HB CYS 42 HB3 CYS 42 1.627 7.319 4.753 286 H GLU 43 HN GLU 43 0.885 5.276 6.019 287 HA GLU 43 HA GLU 43 1.882 2.704 5.101 288 1HB GLU 43 HB2 GLU 43 1.798 3.252 7.761 289 2HB GLU 43 HB3 GLU 43 0.146 2.709 7.544 290 1HG GLU 43 HG2 GLU 43 0.991 0.606 6.463 291 2HG GLU 43 HG3 GLU 43 2.638 1.147 6.714 292 HE2 GLU 43 HE2 GLU 43 0.537 -0.230 9.833 293 H GLY 44 HN GLY 44 0.504 1.886 3.585 294 1HA GLY 44 HA1 GLY 44 -1.477 1.111 2.776 295 2HA GLY 44 HA2 GLY 44 -2.334 1.881 4.097 296 H LEU 45 HN LEU 45 -0.367 2.802 1.175 297 HA LEU 45 HA LEU 45 -2.132 5.095 0.818 298 1HB LEU 45 HB2 LEU 45 0.514 4.301 -0.388 299 2HB LEU 45 HB3 LEU 45 -0.445 5.635 -0.999 300 HG LEU 45 HG LEU 45 -0.350 6.349 1.596 301 1HD1 LEU 45 HD11 LEU 45 0.946 4.493 2.381 302 2HD1 LEU 45 HD12 LEU 45 2.180 4.754 1.125 303 3HD1 LEU 45 HD13 LEU 45 1.969 5.949 2.427 304 1HD2 LEU 45 HD21 LEU 45 0.247 7.791 -0.248 305 2HD2 LEU 45 HD22 LEU 45 1.529 7.842 0.986 306 3HD2 LEU 45 HD23 LEU 45 1.765 6.897 -0.504 307 HA PRO 46 HA PRO 46 -3.746 3.244 -2.917 308 1HB PRO 46 HB2 PRO 46 -4.455 5.506 -4.276 309 2HB PRO 46 HB3 PRO 46 -5.514 4.703 -3.134 310 1HG PRO 46 HG2 PRO 46 -3.979 7.207 -2.795 311 2HG PRO 46 HG3 PRO 46 -5.342 6.620 -1.862 312 1HD PRO 46 HD2 PRO 46 -2.582 6.574 -1.083 313 2HD PRO 46 HD3 PRO 46 -3.931 5.884 -0.203 314 H GLU 47 HN GLU 47 -3.227 3.047 -5.241 315 HA GLU 47 HA GLU 47 -0.459 2.758 -5.054 316 1HB GLU 47 HB2 GLU 47 -0.625 1.611 -7.176 317 2HB GLU 47 HB3 GLU 47 -2.048 1.197 -6.241 318 1HG GLU 47 HG2 GLU 47 -3.276 3.097 -7.453 319 2HG GLU 47 HG3 GLU 47 -1.876 3.245 -8.496 320 HE2 GLU 47 HE2 GLU 47 -4.176 1.103 -7.337 321 H ASN 48 HN ASN 48 -2.491 5.333 -6.220 322 HA ASN 48 HA ASN 48 -0.902 6.113 -8.384 323 1HB ASN 48 HB2 ASN 48 -2.293 8.186 -8.336 324 2HB ASN 48 HB3 ASN 48 -3.295 6.759 -8.160 325 1HD2 ASN 48 HD21 ASN 48 -3.890 9.597 -5.601 326 2HD2 ASN 48 HD22 ASN 48 -3.529 9.629 -7.295 327 H ALA 49 HN ALA 49 -0.929 6.734 -4.880 328 HA ALA 49 HA ALA 49 0.746 9.083 -5.125 329 1HB ALA 49 HB1 ALA 49 -1.086 9.051 -3.493 330 2HB ALA 49 HB2 ALA 49 -0.401 7.598 -2.727 331 3HB ALA 49 HB3 ALA 49 0.481 9.141 -2.654 332 H LYS 50 HN LYS 50 2.599 8.026 -6.170 333 HA LYS 50 HA LYS 50 3.600 5.598 -5.239 334 1HB LYS 50 HB2 LYS 50 5.369 5.932 -6.789 335 2HB LYS 50 HB3 LYS 50 3.923 6.607 -7.512 336 1HG LYS 50 HG2 LYS 50 5.221 8.458 -7.863 337 2HG LYS 50 HG3 LYS 50 4.874 8.817 -6.184 338 1HD LYS 50 HD2 LYS 50 6.952 7.515 -5.529 339 2HD LYS 50 HD3 LYS 50 7.317 7.310 -7.231 340 1HE LYS 50 HE2 LYS 50 7.496 9.745 -7.545 341 2HE LYS 50 HE3 LYS 50 6.950 10.039 -5.906 342 1HZ LYS 50 HZ1 LYS 50 8.949 8.917 -5.089 343 2HZ LYS 50 HZ2 LYS 50 9.450 8.590 -6.604 344 H VAL 51 HN VAL 51 5.589 5.113 -4.086 345 HA VAL 51 HA VAL 51 6.422 7.296 -2.314 346 HB VAL 51 HB VAL 51 6.324 5.841 -0.418 347 1HG1 VAL 51 HG11 VAL 51 3.966 5.663 -0.121 348 2HG1 VAL 51 HG12 VAL 51 4.239 7.053 -1.199 349 3HG1 VAL 51 HG13 VAL 51 3.687 5.501 -1.872 350 1HG2 VAL 51 HG21 VAL 51 5.307 3.544 -0.615 351 2HG2 VAL 51 HG22 VAL 51 5.463 3.695 -2.381 352 3HG2 VAL 51 HG23 VAL 51 6.917 3.716 -1.355 353 H SER 52 HN SER 52 8.625 6.975 -1.400 354 HA SER 52 HA SER 52 10.177 5.050 -2.890 355 1HB SER 52 HB2 SER 52 11.264 7.173 -2.621 356 2HB SER 52 HB3 SER 52 10.876 7.250 -0.914 357 HG SER 52 HG SER 52 12.837 5.622 -2.245 358 H ASP 53 HN ASP 53 11.310 3.256 -1.826 359 HA ASP 53 HA ASP 53 10.957 3.236 1.065 360 1HB ASP 53 HB2 ASP 53 11.053 0.752 1.001 361 2HB ASP 53 HB3 ASP 53 9.671 1.365 0.116 362 HD2 ASP 53 HD2 ASP 53 12.723 0.026 -0.138 363 H SER 54 HN SER 54 13.073 4.558 -0.428 364 HA SER 54 HA SER 54 15.237 2.607 -0.330 365 1HB SER 54 HB2 SER 54 16.129 3.837 -2.419 366 2HB SER 54 HB3 SER 54 14.772 2.753 -2.649 367 HG SER 54 HG SER 54 14.291 4.687 -3.734 368 H ALA 55 HN ALA 55 14.313 4.815 1.561 369 HA ALA 55 HA ALA 55 15.444 6.019 3.034 370 1HB ALA 55 HB1 ALA 55 16.864 3.997 3.048 371 2HB ALA 55 HB2 ALA 55 17.858 4.683 1.741 372 3HB ALA 55 HB3 ALA 55 17.829 5.463 3.340 373 H THR 56 HN THR 56 14.567 7.567 0.997 374 HA THR 56 HA THR 56 14.840 9.639 0.240 375 HB THR 56 HB THR 56 17.340 9.712 2.004 376 HG1 THR 56 HG1 THR 56 15.719 10.184 3.654 377 1HG2 THR 56 HG21 THR 56 16.669 12.058 2.363 378 2HG2 THR 56 HG22 THR 56 16.837 11.775 0.613 379 3HG2 THR 56 HG23 THR 56 15.220 11.826 1.355 380 H ASN 57 HN ASN 57 15.203 8.585 -1.885 381 HA ASN 57 HA ASN 57 17.881 9.243 -2.784 382 1HB ASN 57 HB2 ASN 57 17.213 8.193 -4.918 383 2HB ASN 57 HB3 ASN 57 16.834 7.105 -3.597 384 1HD2 ASN 57 HD21 ASN 57 13.355 7.174 -3.950 385 2HD2 ASN 57 HD22 ASN 57 14.731 6.712 -3.005 386 H ILE 58 HN ILE 58 14.816 10.619 -2.245 387 HA ILE 58 HA ILE 58 14.842 12.288 -4.625 388 HB ILE 58 HB ILE 58 12.867 11.828 -2.399 389 1HG1 ILE 58 HG12 ILE 58 11.677 11.496 -4.908 390 2HG1 ILE 58 HG13 ILE 58 13.270 10.788 -5.092 391 1HG2 ILE 58 HG21 ILE 58 12.768 13.914 -4.592 392 2HG2 ILE 58 HG22 ILE 58 11.366 13.402 -3.623 393 3HG2 ILE 58 HG23 ILE 58 12.757 14.183 -2.833 394 1HD1 ILE 58 HD11 ILE 58 12.903 9.439 -3.011 395 2HD1 ILE 58 HD12 ILE 58 11.265 10.126 -2.886 396 3HD1 ILE 58 HD13 ILE 58 11.692 9.090 -4.269 397 H CYS 59 HN CYS 59 15.045 14.630 -4.527 398 HA CYS 59 HA CYS 59 16.727 16.019 -4.195 399 1HB CYS 59 HB2 CYS 59 15.486 15.863 -1.458 400 2HB CYS 59 HB3 CYS 59 16.850 16.917 -1.772 401 H GLY 60 HN GLY 60 17.716 13.475 -4.472 402 1HA GLY 60 HA1 GLY 60 19.603 12.297 -4.144 403 2HA GLY 60 HA2 GLY 60 20.217 13.630 -3.185 Start of MODEL 5 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.035 0.098 3 1HB LYS 1 HB2 LYS 1 1.575 -0.073 -2.153 4 2HB LYS 1 HB3 LYS 1 1.660 1.546 -1.490 5 1HG LYS 1 HG2 LYS 1 3.930 1.038 -0.552 6 2HG LYS 1 HG3 LYS 1 3.846 -0.574 -1.234 7 1HD LYS 1 HD2 LYS 1 3.629 0.416 -3.529 8 2HD LYS 1 HD3 LYS 1 3.737 2.024 -2.840 9 1HE LYS 1 HE2 LYS 1 6.005 1.414 -1.886 10 2HE LYS 1 HE3 LYS 1 5.897 -0.134 -2.700 11 1HZ LYS 1 HZ1 LYS 1 5.915 2.523 -4.026 12 2HZ LYS 1 HZ2 LYS 1 7.096 1.404 -4.094 13 H ASP 2 HN ASP 2 2.975 -0.862 1.912 14 HA ASP 2 HA ASP 2 3.288 1.780 3.036 15 1HB ASP 2 HB2 ASP 2 2.609 -0.581 4.827 16 2HB ASP 2 HB3 ASP 2 2.637 1.118 5.256 17 HD2 ASP 2 HD2 ASP 2 -0.538 1.649 3.697 18 H GLY 3 HN GLY 3 5.237 1.883 4.450 19 1HA GLY 3 HA1 GLY 3 6.835 -0.085 5.361 20 2HA GLY 3 HA2 GLY 3 7.247 -0.042 3.658 21 H TYR 4 HN TYR 4 9.431 0.631 4.492 22 HA TYR 4 HA TYR 4 9.512 3.441 5.290 23 1HB TYR 4 HB2 TYR 4 11.814 1.473 4.819 24 2HB TYR 4 HB3 TYR 4 11.802 2.844 5.910 25 HD1 TYR 4 HD1 TYR 4 10.131 2.710 7.927 26 HD2 TYR 4 HD2 TYR 4 11.408 -0.678 5.648 27 HE1 TYR 4 HE1 TYR 4 9.491 1.169 9.845 28 HE2 TYR 4 HE2 TYR 4 10.763 -2.207 7.574 29 HH TYR 4 HH TYR 4 9.837 -0.907 10.676 30 HA PRO 5 HA PRO 5 10.491 4.384 1.110 31 1HB PRO 5 HB2 PRO 5 10.366 7.102 1.366 32 2HB PRO 5 HB3 PRO 5 8.968 6.108 1.010 33 1HG PRO 5 HG2 PRO 5 9.712 7.417 3.554 34 2HG PRO 5 HG3 PRO 5 8.152 6.793 3.056 35 1HD PRO 5 HD2 PRO 5 9.992 5.558 4.876 36 2HD PRO 5 HD3 PRO 5 8.487 4.882 4.289 37 H VAL 6 HN VAL 6 12.396 4.467 0.060 38 HA VAL 6 HA VAL 6 14.361 6.239 1.280 39 HB VAL 6 HB VAL 6 16.127 4.540 0.898 40 1HG1 VAL 6 HG11 VAL 6 15.795 3.386 2.958 41 2HG1 VAL 6 HG12 VAL 6 15.011 4.975 3.131 42 3HG1 VAL 6 HG13 VAL 6 14.025 3.524 2.830 43 1HG2 VAL 6 HG21 VAL 6 15.501 2.173 0.665 44 2HG2 VAL 6 HG22 VAL 6 13.790 2.638 0.516 45 3HG2 VAL 6 HG23 VAL 6 14.958 3.131 -0.733 46 H ASP 7 HN ASP 7 15.618 7.341 -0.239 47 HA ASP 7 HA ASP 7 15.866 6.318 -2.855 48 1HB ASP 7 HB2 ASP 7 14.899 8.690 -3.720 49 2HB ASP 7 HB3 ASP 7 13.899 7.256 -3.601 50 HD2 ASP 7 HD2 ASP 7 13.994 10.418 -2.735 51 H SER 8 HN SER 8 15.598 9.683 -1.467 52 HA SER 8 HA SER 8 18.210 10.234 -2.518 53 1HB SER 8 HB2 SER 8 17.681 12.590 -1.783 54 2HB SER 8 HB3 SER 8 16.517 11.916 -2.906 55 HG SER 8 HG SER 8 15.511 13.013 -1.081 56 H LYS 9 HN LYS 9 16.569 9.626 0.570 57 HA LYS 9 HA LYS 9 18.583 10.849 2.172 58 1HB LYS 9 HB2 LYS 9 17.310 9.995 4.039 59 2HB LYS 9 HB3 LYS 9 16.221 10.696 2.859 60 1HG LYS 9 HG2 LYS 9 16.309 8.088 1.971 61 2HG LYS 9 HG3 LYS 9 16.539 7.846 3.691 62 1HD LYS 9 HD2 LYS 9 14.188 7.810 3.476 63 2HD LYS 9 HD3 LYS 9 14.499 9.454 3.998 64 1HE LYS 9 HE2 LYS 9 14.321 10.292 1.701 65 2HE LYS 9 HE3 LYS 9 14.246 8.663 1.059 66 1HZ LYS 9 HZ1 LYS 9 12.197 9.953 2.777 67 2HZ LYS 9 HZ2 LYS 9 12.022 9.525 1.216 68 H GLY 10 HN GLY 10 18.114 7.740 0.604 69 1HA GLY 10 HA1 GLY 10 19.654 6.091 0.324 70 2HA GLY 10 HA2 GLY 10 20.752 6.914 1.413 71 H CYS 11 HN CYS 11 20.133 6.880 3.831 72 HA CYS 11 HA CYS 11 19.215 4.152 4.367 73 1HB CYS 11 HB2 CYS 11 21.527 5.696 5.262 74 2HB CYS 11 HB3 CYS 11 20.629 5.004 6.597 75 H LYS 12 HN LYS 12 16.995 5.467 4.199 76 HA LYS 12 HA LYS 12 15.160 5.548 5.427 77 1HB LYS 12 HB2 LYS 12 16.939 4.110 7.041 78 2HB LYS 12 HB3 LYS 12 16.252 5.310 8.116 79 1HG LYS 12 HG2 LYS 12 14.685 3.554 8.255 80 2HG LYS 12 HG3 LYS 12 13.943 4.625 7.084 81 1HD LYS 12 HD2 LYS 12 14.155 3.111 5.383 82 2HD LYS 12 HD3 LYS 12 15.801 2.705 5.825 83 1HE LYS 12 HE2 LYS 12 13.290 1.657 7.219 84 2HE LYS 12 HE3 LYS 12 14.270 0.751 6.083 85 1HZ LYS 12 HZ1 LYS 12 16.143 1.466 7.824 86 2HZ LYS 12 HZ2 LYS 12 14.876 1.452 8.847 87 H LEU 13 HN LEU 13 14.062 6.953 7.276 88 HA LEU 13 HA LEU 13 15.835 9.182 7.999 89 1HB LEU 13 HB2 LEU 13 13.751 10.522 8.283 90 2HB LEU 13 HB3 LEU 13 14.185 10.128 6.632 91 HG LEU 13 HG LEU 13 12.304 8.237 7.917 92 1HD1 LEU 13 HD11 LEU 13 11.485 11.091 7.315 93 2HD1 LEU 13 HD12 LEU 13 10.359 9.738 7.582 94 3HD1 LEU 13 HD13 LEU 13 11.442 10.267 8.892 95 1HD2 LEU 13 HD21 LEU 13 12.306 9.656 5.239 96 2HD2 LEU 13 HD22 LEU 13 12.978 8.041 5.569 97 3HD2 LEU 13 HD23 LEU 13 11.228 8.327 5.730 98 H SER 14 HN SER 14 16.356 9.259 10.125 99 HA SER 14 HA SER 14 15.372 7.124 11.694 100 1HB SER 14 HB2 SER 14 17.228 9.427 12.444 101 2HB SER 14 HB3 SER 14 16.981 7.977 13.397 102 HG SER 14 HG SER 14 17.830 6.717 11.608 103 H CYS 15 HN CYS 15 13.065 7.712 11.842 104 HA CYS 15 HA CYS 15 12.183 10.097 12.949 105 1HB CYS 15 HB2 CYS 15 10.111 8.829 13.480 106 2HB CYS 15 HB3 CYS 15 10.635 8.720 11.811 107 H VAL 16 HN VAL 16 11.705 10.693 15.138 108 HA VAL 16 HA VAL 16 13.068 9.017 17.118 109 HB VAL 16 HB VAL 16 13.705 11.454 16.647 110 1HG1 VAL 16 HG11 VAL 16 11.340 12.279 16.589 111 2HG1 VAL 16 HG12 VAL 16 11.248 11.996 18.344 112 3HG1 VAL 16 HG13 VAL 16 12.400 13.187 17.694 113 1HG2 VAL 16 HG21 VAL 16 14.159 11.886 19.029 114 2HG2 VAL 16 HG22 VAL 16 13.017 10.596 19.479 115 3HG2 VAL 16 HG23 VAL 16 14.505 10.197 18.588 116 H ALA 17 HN ALA 17 10.002 9.668 15.832 117 HA ALA 17 HA ALA 17 8.611 8.613 18.067 118 1HB ALA 17 HB1 ALA 17 7.289 10.679 18.551 119 2HB ALA 17 HB2 ALA 17 9.005 10.834 18.997 120 3HB ALA 17 HB3 ALA 17 8.400 11.599 17.508 121 H ASN 18 HN ASN 18 6.180 8.624 17.597 122 HA ASN 18 HA ASN 18 5.966 7.690 14.966 123 1HB ASN 18 HB2 ASN 18 3.872 8.202 17.141 124 2HB ASN 18 HB3 ASN 18 3.496 7.414 15.622 125 1HD2 ASN 18 HD21 ASN 18 5.069 5.376 18.719 126 2HD2 ASN 18 HD22 ASN 18 4.477 7.003 18.777 127 H ASN 19 HN ASN 19 4.767 10.566 16.807 128 HA ASN 19 HA ASN 19 3.162 11.597 14.812 129 1HB ASN 19 HB2 ASN 19 3.587 13.820 16.051 130 2HB ASN 19 HB3 ASN 19 2.971 12.510 17.039 131 1HD2 ASN 19 HD21 ASN 19 5.693 12.286 19.175 132 2HD2 ASN 19 HD22 ASN 19 4.130 11.720 18.686 133 H TYR 20 HN TYR 20 6.677 11.722 15.472 134 HA TYR 20 HA TYR 20 7.221 13.932 13.774 135 1HB TYR 20 HB2 TYR 20 8.601 13.072 15.737 136 2HB TYR 20 HB3 TYR 20 8.888 11.579 14.866 137 HD1 TYR 20 HD1 TYR 20 10.360 11.564 12.854 138 HD2 TYR 20 HD2 TYR 20 9.861 15.071 15.253 139 HE1 TYR 20 HE1 TYR 20 12.446 12.580 11.814 140 HE2 TYR 20 HE2 TYR 20 11.949 16.076 14.205 141 HH TYR 20 HH TYR 20 13.747 14.296 11.706 142 H CYS 21 HN CYS 21 7.208 10.352 13.392 143 HA CYS 21 HA CYS 21 8.176 10.356 10.766 144 1HB CYS 21 HB2 CYS 21 8.173 8.305 11.904 145 2HB CYS 21 HB3 CYS 21 6.490 8.450 12.369 146 H ASP 22 HN ASP 22 4.865 10.645 12.240 147 HA ASP 22 HA ASP 22 3.538 9.861 9.988 148 1HB ASP 22 HB2 ASP 22 2.555 10.038 12.280 149 2HB ASP 22 HB3 ASP 22 2.614 11.786 12.173 150 HD2 ASP 22 HD2 ASP 22 1.054 12.750 11.255 151 H ASN 23 HN ASN 23 4.344 13.175 11.241 152 HA ASN 23 HA ASN 23 2.883 14.501 9.268 153 1HB ASN 23 HB2 ASN 23 3.916 16.524 10.156 154 2HB ASN 23 HB3 ASN 23 3.627 15.456 11.514 155 1HD2 ASN 23 HD21 ASN 23 7.394 16.560 10.361 156 2HD2 ASN 23 HD22 ASN 23 5.961 16.988 9.486 157 H GLN 24 HN GLN 24 6.160 13.153 9.512 158 HA GLN 24 HA GLN 24 7.217 14.826 7.464 159 1HB GLN 24 HB2 GLN 24 8.538 13.911 9.431 160 2HB GLN 24 HB3 GLN 24 8.434 12.320 8.703 161 1HG GLN 24 HG2 GLN 24 9.676 13.041 6.739 162 2HG GLN 24 HG3 GLN 24 9.567 14.725 7.209 163 1HE2 GLN 24 HE21 GLN 24 12.921 14.059 8.206 164 2HE2 GLN 24 HE22 GLN 24 11.921 14.507 6.864 165 H CYS 25 HN CYS 25 5.587 11.716 7.704 166 HA CYS 25 HA CYS 25 6.406 10.725 5.196 167 1HB CYS 25 HB2 CYS 25 3.960 10.148 6.877 168 2HB CYS 25 HB3 CYS 25 4.370 9.285 5.408 169 H LYS 26 HN LYS 26 3.526 12.591 6.404 170 HA LYS 26 HA LYS 26 2.387 12.562 3.763 171 1HB LYS 26 HB2 LYS 26 0.427 13.345 4.775 172 2HB LYS 26 HB3 LYS 26 1.128 12.267 5.965 173 1HG LYS 26 HG2 LYS 26 2.172 14.259 7.111 174 2HG LYS 26 HG3 LYS 26 1.386 15.312 5.951 175 1HD LYS 26 HD2 LYS 26 -0.064 15.304 7.851 176 2HD LYS 26 HD3 LYS 26 -0.848 14.259 6.684 177 1HE LYS 26 HE2 LYS 26 -0.101 12.256 7.822 178 2HE LYS 26 HE3 LYS 26 1.030 13.154 8.814 179 1HZ LYS 26 HZ1 LYS 26 -1.928 13.249 8.984 180 2HZ LYS 26 HZ2 LYS 26 -0.892 12.751 10.138 181 H MET 27 HN MET 27 4.680 14.473 5.453 182 HA MET 27 HA MET 27 4.370 16.945 4.438 183 1HB MET 27 HB2 MET 27 6.317 16.072 5.800 184 2HB MET 27 HB3 MET 27 6.909 15.218 4.389 185 1HG MET 27 HG2 MET 27 6.415 18.035 3.746 186 2HG MET 27 HG3 MET 27 7.483 17.901 5.129 187 1HE MET 27 HE1 MET 27 10.523 15.974 3.866 188 2HE MET 27 HE2 MET 27 9.771 16.940 5.159 189 3HE MET 27 HE3 MET 27 9.150 15.314 4.788 190 H LYS 28 HN LYS 28 5.135 13.933 2.676 191 HA LYS 28 HA LYS 28 4.870 15.370 0.171 192 1HB LYS 28 HB2 LYS 28 7.275 15.533 0.735 193 2HB LYS 28 HB3 LYS 28 7.368 13.787 0.845 194 1HG LYS 28 HG2 LYS 28 6.427 13.743 -1.578 195 2HG LYS 28 HG3 LYS 28 6.761 15.462 -1.625 196 1HD LYS 28 HD2 LYS 28 8.855 13.345 -0.943 197 2HD LYS 28 HD3 LYS 28 8.626 14.005 -2.551 198 1HE LYS 28 HE2 LYS 28 9.021 16.330 -1.576 199 2HE LYS 28 HE3 LYS 28 9.415 15.569 -0.048 200 1HZ LYS 28 HZ1 LYS 28 11.405 15.983 -1.405 201 2HZ LYS 28 HZ2 LYS 28 11.227 14.384 -1.154 202 H LYS 29 HN LYS 29 5.633 12.132 1.735 203 HA LYS 29 HA LYS 29 5.289 11.045 -0.897 204 1HB LYS 29 HB2 LYS 29 6.092 9.712 1.707 205 2HB LYS 29 HB3 LYS 29 6.198 8.998 0.110 206 1HG LYS 29 HG2 LYS 29 7.594 11.215 -0.443 207 2HG LYS 29 HG3 LYS 29 7.830 11.250 1.293 208 1HD LYS 29 HD2 LYS 29 9.660 9.951 0.644 209 2HD LYS 29 HD3 LYS 29 8.486 8.696 0.988 210 1HE LYS 29 HE2 LYS 29 7.851 8.663 -1.457 211 2HE LYS 29 HE3 LYS 29 9.094 9.857 -1.774 212 1HZ LYS 29 HZ1 LYS 29 9.923 7.606 -2.161 213 2HZ LYS 29 HZ2 LYS 29 10.748 8.269 -0.923 214 H ALA 30 HN ALA 30 3.585 10.815 2.318 215 HA ALA 30 HA ALA 30 2.021 8.645 1.097 216 1HB ALA 30 HB1 ALA 30 2.820 8.448 3.966 217 2HB ALA 30 HB2 ALA 30 2.661 7.175 2.732 218 3HB ALA 30 HB3 ALA 30 4.109 8.209 2.763 219 H SER 31 HN SER 31 0.327 8.009 3.134 220 HA SER 31 HA SER 31 -1.201 10.415 3.381 221 1HB SER 31 HB2 SER 31 -1.757 7.565 4.320 222 2HB SER 31 HB3 SER 31 -2.910 8.882 4.405 223 HG SER 31 HG SER 31 -1.682 7.930 1.958 224 H GLY 32 HN GLY 32 0.900 8.330 5.337 225 1HA GLY 32 HA1 GLY 32 1.298 10.154 7.385 226 2HA GLY 32 HA2 GLY 32 -0.033 9.134 7.894 227 H GLY 33 HN GLY 33 1.356 8.245 9.623 228 1HA GLY 33 HA1 GLY 33 1.619 5.677 9.361 229 2HA GLY 33 HA2 GLY 33 3.135 6.137 8.613 230 H HIS 34 HN HIS 34 4.287 5.017 10.379 231 HA HIS 34 HA HIS 34 4.174 6.427 12.915 232 1HB HIS 34 HB2 HIS 34 3.695 3.443 12.729 233 2HB HIS 34 HB3 HIS 34 3.712 4.422 14.182 234 HD1 HIS 34 HD1 HIS 34 1.821 6.649 13.747 235 HD2 HIS 34 HD2 HIS 34 1.114 2.847 12.120 236 HE1 HIS 34 HE1 HIS 34 -0.687 6.518 13.298 237 H CYS 35 HN CYS 35 5.883 5.339 14.481 238 HA CYS 35 HA CYS 35 8.253 5.215 12.781 239 1HB CYS 35 HB2 CYS 35 8.071 7.135 14.304 240 2HB CYS 35 HB3 CYS 35 7.974 6.049 15.676 241 H TYR 36 HN TYR 36 8.668 3.026 12.423 242 HA TYR 36 HA TYR 36 8.530 1.277 14.787 243 1HB TYR 36 HB2 TYR 36 6.952 1.148 12.596 244 2HB TYR 36 HB3 TYR 36 8.372 0.445 11.848 245 HD1 TYR 36 HD1 TYR 36 9.342 -1.694 12.817 246 HD2 TYR 36 HD2 TYR 36 5.539 -0.141 14.010 247 HE1 TYR 36 HE1 TYR 36 8.698 -3.970 13.750 248 HE2 TYR 36 HE2 TYR 36 4.907 -2.422 14.939 249 HH TYR 36 HH TYR 36 5.517 -4.462 15.263 250 H ALA 37 HN ALA 37 10.308 0.025 15.280 251 HA ALA 37 HA ALA 37 12.501 -0.357 15.379 252 1HB ALA 37 HB1 ALA 37 11.964 -1.001 12.451 253 2HB ALA 37 HB2 ALA 37 13.382 -1.547 13.377 254 3HB ALA 37 HB3 ALA 37 11.753 -2.102 13.833 255 H MET 38 HN MET 38 12.541 2.177 15.634 256 HA MET 38 HA MET 38 13.122 4.201 14.903 257 1HB MET 38 HB2 MET 38 15.664 4.248 14.587 258 2HB MET 38 HB3 MET 38 15.139 3.349 15.997 259 1HG MET 38 HG2 MET 38 15.393 1.212 14.805 260 2HG MET 38 HG3 MET 38 15.726 2.042 13.298 261 1HE MET 38 HE1 MET 38 19.223 0.581 14.154 262 2HE MET 38 HE2 MET 38 17.636 -0.176 14.432 263 3HE MET 38 HE3 MET 38 17.936 0.740 12.935 264 H SER 39 HN SER 39 11.671 3.193 12.787 265 HA SER 39 HA SER 39 13.016 4.585 10.673 266 1HB SER 39 HB2 SER 39 11.998 1.734 10.287 267 2HB SER 39 HB3 SER 39 12.525 2.789 8.991 268 HG SER 39 HG SER 39 14.106 1.674 11.133 269 H CYS 40 HN CYS 40 11.525 5.746 9.411 270 HA CYS 40 HA CYS 40 8.948 5.953 10.550 271 1HB CYS 40 HB2 CYS 40 10.121 7.901 9.715 272 2HB CYS 40 HB3 CYS 40 10.169 7.232 8.096 273 H TYR 41 HN TYR 41 7.783 3.996 10.251 274 HA TYR 41 HA TYR 41 7.529 2.820 7.662 275 1HB TYR 41 HB2 TYR 41 7.277 1.748 10.002 276 2HB TYR 41 HB3 TYR 41 5.815 2.689 10.221 277 HD1 TYR 41 HD1 TYR 41 7.350 0.013 8.136 278 HD2 TYR 41 HD2 TYR 41 3.731 1.934 9.369 279 HE1 TYR 41 HE1 TYR 41 5.988 -1.835 7.044 280 HE2 TYR 41 HE2 TYR 41 2.381 0.079 8.273 281 HH TYR 41 HH TYR 41 2.441 -1.825 7.253 282 H CYS 42 HN CYS 42 6.734 4.287 6.127 283 HA CYS 42 HA CYS 42 4.592 6.033 6.938 284 1HB CYS 42 HB2 CYS 42 6.186 5.816 4.379 285 2HB CYS 42 HB3 CYS 42 4.889 6.968 4.626 286 H GLU 43 HN GLU 43 2.527 6.132 5.699 287 HA GLU 43 HA GLU 43 1.870 3.424 4.832 288 1HB GLU 43 HB2 GLU 43 0.368 5.318 6.675 289 2HB GLU 43 HB3 GLU 43 -0.436 3.971 5.893 290 1HG GLU 43 HG2 GLU 43 1.187 2.383 6.917 291 2HG GLU 43 HG3 GLU 43 2.041 3.718 7.665 292 HE2 GLU 43 HE2 GLU 43 1.332 2.095 9.246 293 H GLY 44 HN GLY 44 0.778 3.231 2.898 294 1HA GLY 44 HA1 GLY 44 -0.533 3.822 1.139 295 2HA GLY 44 HA2 GLY 44 -0.866 5.368 1.892 296 H LEU 45 HN LEU 45 2.069 3.616 0.623 297 HA LEU 45 HA LEU 45 3.149 6.182 -0.176 298 1HB LEU 45 HB2 LEU 45 4.248 3.388 0.024 299 2HB LEU 45 HB3 LEU 45 5.128 4.667 -0.788 300 HG LEU 45 HG LEU 45 4.163 5.021 2.045 301 1HD1 LEU 45 HD11 LEU 45 5.477 2.874 1.809 302 2HD1 LEU 45 HD12 LEU 45 6.868 3.877 1.328 303 3HD1 LEU 45 HD13 LEU 45 6.142 4.077 2.941 304 1HD2 LEU 45 HD21 LEU 45 6.022 6.599 2.183 305 2HD2 LEU 45 HD22 LEU 45 6.481 6.221 0.505 306 3HD2 LEU 45 HD23 LEU 45 4.924 7.013 0.844 307 HA PRO 46 HA PRO 46 2.276 5.611 -4.400 308 1HB PRO 46 HB2 PRO 46 4.295 7.024 -5.581 309 2HB PRO 46 HB3 PRO 46 2.857 7.778 -4.920 310 1HG PRO 46 HG2 PRO 46 5.594 7.712 -3.805 311 2HG PRO 46 HG3 PRO 46 4.270 8.787 -3.402 312 1HD PRO 46 HD2 PRO 46 5.192 6.549 -1.863 313 2HD PRO 46 HD3 PRO 46 3.797 7.553 -1.521 314 H GLU 47 HN GLU 47 2.865 4.571 -6.436 315 HA GLU 47 HA GLU 47 4.026 2.172 -5.480 316 1HB GLU 47 HB2 GLU 47 3.164 1.173 -7.482 317 2HB GLU 47 HB3 GLU 47 1.975 2.357 -6.978 318 1HG GLU 47 HG2 GLU 47 3.137 4.020 -8.573 319 2HG GLU 47 HG3 GLU 47 4.049 2.657 -9.193 320 HE2 GLU 47 HE2 GLU 47 0.209 3.060 -10.192 321 H ASN 48 HN ASN 48 5.221 4.984 -7.079 322 HA ASN 48 HA ASN 48 7.083 3.560 -8.713 323 1HB ASN 48 HB2 ASN 48 7.769 5.810 -9.476 324 2HB ASN 48 HB3 ASN 48 6.020 5.706 -9.472 325 1HD2 ASN 48 HD21 ASN 48 8.072 8.255 -7.003 326 2HD2 ASN 48 HD22 ASN 48 8.848 7.044 -7.968 327 H ALA 49 HN ALA 49 6.845 4.531 -5.453 328 HA ALA 49 HA ALA 49 9.578 5.396 -5.132 329 1HB ALA 49 HB1 ALA 49 7.323 4.865 -3.154 330 2HB ALA 49 HB2 ALA 49 8.897 5.589 -2.746 331 3HB ALA 49 HB3 ALA 49 7.780 6.444 -3.837 332 H LYS 50 HN LYS 50 11.283 4.169 -4.342 333 HA LYS 50 HA LYS 50 10.838 1.342 -4.013 334 1HB LYS 50 HB2 LYS 50 12.839 2.331 -5.166 335 2HB LYS 50 HB3 LYS 50 13.375 2.952 -3.618 336 1HG LYS 50 HG2 LYS 50 12.650 0.036 -3.727 337 2HG LYS 50 HG3 LYS 50 14.117 0.515 -4.558 338 1HD LYS 50 HD2 LYS 50 15.064 1.460 -2.526 339 2HD LYS 50 HD3 LYS 50 13.539 1.322 -1.674 340 1HE LYS 50 HE2 LYS 50 13.677 -1.207 -1.981 341 2HE LYS 50 HE3 LYS 50 15.281 -0.988 -2.653 342 1HZ LYS 50 HZ1 LYS 50 14.450 -0.177 0.082 343 2HZ LYS 50 HZ2 LYS 50 15.419 -1.434 -0.282 344 H VAL 51 HN VAL 51 10.545 0.259 -2.115 345 HA VAL 51 HA VAL 51 10.938 1.799 0.345 346 HB VAL 51 HB VAL 51 8.783 1.155 1.163 347 1HG1 VAL 51 HG11 VAL 51 8.480 2.278 -1.643 348 2HG1 VAL 51 HG12 VAL 51 7.324 2.449 -0.300 349 3HG1 VAL 51 HG13 VAL 51 8.927 3.216 -0.198 350 1HG2 VAL 51 HG21 VAL 51 7.137 -0.044 -0.252 351 2HG2 VAL 51 HG22 VAL 51 8.404 -0.300 -1.476 352 3HG2 VAL 51 HG23 VAL 51 8.561 -1.039 0.136 353 H SER 52 HN SER 52 11.271 0.439 2.259 354 HA SER 52 HA SER 52 11.591 -2.378 1.580 355 1HB SER 52 HB2 SER 52 13.654 -1.612 2.478 356 2HB SER 52 HB3 SER 52 12.869 -0.623 3.694 357 HG SER 52 HG SER 52 13.584 -2.424 4.801 358 H ASP 53 HN ASP 53 10.552 -3.972 2.952 359 HA ASP 53 HA ASP 53 9.036 -2.874 5.162 360 1HB ASP 53 HB2 ASP 53 7.146 -4.465 4.591 361 2HB ASP 53 HB3 ASP 53 7.341 -3.140 3.460 362 HD2 ASP 53 HD2 ASP 53 7.778 -6.416 3.966 363 H SER 54 HN SER 54 11.431 -4.017 5.703 364 HA SER 54 HA SER 54 11.005 -6.894 5.837 365 1HB SER 54 HB2 SER 54 13.450 -7.113 5.082 366 2HB SER 54 HB3 SER 54 12.294 -6.651 3.849 367 HG SER 54 HG SER 54 12.953 -4.438 4.088 368 H ALA 55 HN ALA 55 10.820 -4.822 7.927 369 HA ALA 55 HA ALA 55 11.467 -4.503 10.020 370 1HB ALA 55 HB1 ALA 55 12.304 -6.464 11.222 371 2HB ALA 55 HB2 ALA 55 11.055 -6.960 10.056 372 3HB ALA 55 HB3 ALA 55 12.775 -7.234 9.688 373 H THR 56 HN THR 56 13.041 -3.135 8.171 374 HA THR 56 HA THR 56 14.852 -1.848 8.265 375 HB THR 56 HB THR 56 15.005 -2.944 11.124 376 HG1 THR 56 HG1 THR 56 12.948 -1.950 10.412 377 1HG2 THR 56 HG21 THR 56 17.028 -1.623 10.554 378 2HG2 THR 56 HG22 THR 56 16.011 -0.346 9.845 379 3HG2 THR 56 HG23 THR 56 15.956 -0.657 11.597 380 H ASN 57 HN ASN 57 15.537 -3.693 6.649 381 HA ASN 57 HA ASN 57 17.996 -4.834 7.538 382 1HB ASN 57 HB2 ASN 57 18.240 -5.596 5.264 383 2HB ASN 57 HB3 ASN 57 16.523 -5.701 5.599 384 1HD2 ASN 57 HD21 ASN 57 15.476 -3.277 3.319 385 2HD2 ASN 57 HD22 ASN 57 15.089 -4.453 4.530 386 H ILE 58 HN ILE 58 16.747 -1.776 6.365 387 HA ILE 58 HA ILE 58 19.345 -0.829 5.505 388 HB ILE 58 HB ILE 58 16.675 0.568 5.718 389 1HG1 ILE 58 HG12 ILE 58 18.059 -0.617 3.293 390 2HG1 ILE 58 HG13 ILE 58 16.698 -1.339 4.129 391 1HG2 ILE 58 HG21 ILE 58 18.415 2.203 5.826 392 2HG2 ILE 58 HG22 ILE 58 19.306 1.429 4.493 393 3HG2 ILE 58 HG23 ILE 58 17.745 2.223 4.177 394 1HD1 ILE 58 HD11 ILE 58 15.659 -0.154 2.374 395 2HD1 ILE 58 HD12 ILE 58 15.515 0.978 3.741 396 3HD1 ILE 58 HD13 ILE 58 16.780 1.222 2.512 397 H CYS 59 HN CYS 59 20.222 1.246 6.482 398 HA CYS 59 HA CYS 59 21.181 0.623 8.866 399 1HB CYS 59 HB2 CYS 59 20.583 3.481 8.086 400 2HB CYS 59 HB3 CYS 59 21.832 2.923 9.181 401 H GLY 60 HN GLY 60 18.377 2.899 8.361 402 1HA GLY 60 HA1 GLY 60 16.585 3.341 9.656 403 2HA GLY 60 HA2 GLY 60 16.931 1.903 10.597 Start of MODEL 6 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -0.891 0.537 3 1HB LYS 1 HB2 LYS 1 3.037 -0.409 -1.406 4 2HB LYS 1 HB3 LYS 1 1.448 -0.891 -1.964 5 1HG LYS 1 HG2 LYS 1 0.850 1.627 -2.006 6 2HG LYS 1 HG3 LYS 1 2.559 1.940 -1.773 7 1HD LYS 1 HD2 LYS 1 1.292 0.421 -4.099 8 2HD LYS 1 HD3 LYS 1 2.042 2.003 -4.172 9 1HE LYS 1 HE2 LYS 1 4.155 0.685 -3.170 10 2HE LYS 1 HE3 LYS 1 3.349 -0.704 -3.871 11 1HZ LYS 1 HZ1 LYS 1 4.594 0.070 -5.646 12 2HZ LYS 1 HZ2 LYS 1 3.202 0.858 -5.950 13 H ASP 2 HN ASP 2 3.889 0.518 0.717 14 HA ASP 2 HA ASP 2 3.219 3.213 1.508 15 1HB ASP 2 HB2 ASP 2 4.937 1.501 3.331 16 2HB ASP 2 HB3 ASP 2 4.158 3.027 3.698 17 HD2 ASP 2 HD2 ASP 2 1.134 1.511 4.550 18 H GLY 3 HN GLY 3 5.144 4.621 1.462 19 1HA GLY 3 HA1 GLY 3 7.759 4.032 1.348 20 2HA GLY 3 HA2 GLY 3 7.237 3.610 -0.271 21 H TYR 4 HN TYR 4 8.666 5.391 -1.015 22 HA TYR 4 HA TYR 4 7.488 8.036 -0.582 23 1HB TYR 4 HB2 TYR 4 9.928 7.322 -2.274 24 2HB TYR 4 HB3 TYR 4 9.659 8.783 -1.344 25 HD1 TYR 4 HD1 TYR 4 11.311 5.642 -1.419 26 HD2 TYR 4 HD2 TYR 4 9.599 8.498 1.268 27 HE1 TYR 4 HE1 TYR 4 12.699 4.692 0.488 28 HE2 TYR 4 HE2 TYR 4 10.993 7.538 3.166 29 HH TYR 4 HH TYR 4 12.201 5.765 3.789 30 HA PRO 5 HA PRO 5 5.495 7.195 -4.381 31 1HB PRO 5 HB2 PRO 5 3.697 9.251 -4.303 32 2HB PRO 5 HB3 PRO 5 3.425 7.710 -3.515 33 1HG PRO 5 HG2 PRO 5 4.158 10.306 -2.306 34 2HG PRO 5 HG3 PRO 5 3.477 8.889 -1.533 35 1HD PRO 5 HD2 PRO 5 6.208 9.757 -1.425 36 2HD PRO 5 HD3 PRO 5 5.550 8.279 -0.750 37 H VAL 6 HN VAL 6 5.322 7.951 -6.551 38 HA VAL 6 HA VAL 6 6.827 10.445 -6.916 39 HB VAL 6 HB VAL 6 8.090 9.530 -8.648 40 1HG1 VAL 6 HG11 VAL 6 9.325 7.749 -7.642 41 2HG1 VAL 6 HG12 VAL 6 8.717 8.774 -6.320 42 3HG1 VAL 6 HG13 VAL 6 7.918 7.225 -6.685 43 1HG2 VAL 6 HG21 VAL 6 6.459 8.363 -9.933 44 2HG2 VAL 6 HG22 VAL 6 7.705 7.170 -9.494 45 3HG2 VAL 6 HG23 VAL 6 6.154 7.199 -8.621 46 H ASP 7 HN ASP 7 5.961 11.876 -8.432 47 HA ASP 7 HA ASP 7 4.634 10.937 -10.656 48 1HB ASP 7 HB2 ASP 7 2.408 12.292 -9.981 49 2HB ASP 7 HB3 ASP 7 2.575 10.575 -9.674 50 HD2 ASP 7 HD2 ASP 7 2.748 9.927 -7.696 51 H SER 8 HN SER 8 4.350 13.789 -8.302 52 HA SER 8 HA SER 8 3.444 15.193 -10.607 53 1HB SER 8 HB2 SER 8 3.123 17.042 -8.740 54 2HB SER 8 HB3 SER 8 2.070 15.642 -8.784 55 HG SER 8 HG SER 8 3.005 14.804 -6.991 56 H LYS 9 HN LYS 9 6.416 14.841 -8.858 57 HA LYS 9 HA LYS 9 7.473 17.139 -10.350 58 1HB LYS 9 HB2 LYS 9 9.133 17.440 -8.557 59 2HB LYS 9 HB3 LYS 9 7.493 17.698 -7.998 60 1HG LYS 9 HG2 LYS 9 8.330 14.878 -7.734 61 2HG LYS 9 HG3 LYS 9 9.380 15.966 -6.848 62 1HD LYS 9 HD2 LYS 9 6.353 16.180 -6.632 63 2HD LYS 9 HD3 LYS 9 7.254 15.053 -5.637 64 1HE LYS 9 HE2 LYS 9 8.069 17.978 -5.768 65 2HE LYS 9 HE3 LYS 9 6.774 17.465 -4.705 66 1HZ LYS 9 HZ1 LYS 9 9.294 15.965 -4.602 67 2HZ LYS 9 HZ2 LYS 9 9.258 17.431 -3.893 68 H GLY 10 HN GLY 10 7.046 14.083 -10.811 69 1HA GLY 10 HA1 GLY 10 8.218 12.688 -12.197 70 2HA GLY 10 HA2 GLY 10 9.662 13.658 -11.987 71 H CYS 11 HN CYS 11 10.498 13.661 -9.529 72 HA CYS 11 HA CYS 11 10.422 10.855 -8.685 73 1HB CYS 11 HB2 CYS 11 12.792 12.721 -8.857 74 2HB CYS 11 HB3 CYS 11 12.811 11.220 -7.952 75 H LYS 12 HN LYS 12 9.210 10.914 -6.725 76 HA LYS 12 HA LYS 12 9.490 10.805 -4.527 77 1HB LYS 12 HB2 LYS 12 11.977 12.450 -5.057 78 2HB LYS 12 HB3 LYS 12 11.508 11.906 -3.459 79 1HG LYS 12 HG2 LYS 12 11.668 9.908 -5.734 80 2HG LYS 12 HG3 LYS 12 13.137 10.422 -4.929 81 1HD LYS 12 HD2 LYS 12 12.425 9.558 -2.811 82 2HD LYS 12 HD3 LYS 12 10.750 9.454 -3.316 83 1HE LYS 12 HE2 LYS 12 12.924 7.818 -4.686 84 2HE LYS 12 HE3 LYS 12 12.126 7.243 -3.235 85 1HZ LYS 12 HZ1 LYS 12 9.972 7.579 -4.464 86 2HZ LYS 12 HZ2 LYS 12 10.820 7.876 -5.822 87 H LEU 13 HN LEU 13 7.594 11.793 -3.818 88 HA LEU 13 HA LEU 13 7.440 14.580 -3.402 89 1HB LEU 13 HB2 LEU 13 6.079 12.149 -2.321 90 2HB LEU 13 HB3 LEU 13 5.879 13.675 -1.482 91 HG LEU 13 HG LEU 13 5.144 14.656 -3.729 92 1HD1 LEU 13 HD11 LEU 13 4.212 13.028 -5.348 93 2HD1 LEU 13 HD12 LEU 13 5.985 12.952 -5.216 94 3HD1 LEU 13 HD13 LEU 13 4.981 11.712 -4.427 95 1HD2 LEU 13 HD21 LEU 13 3.421 12.525 -2.433 96 2HD2 LEU 13 HD22 LEU 13 3.605 14.208 -1.882 97 3HD2 LEU 13 HD23 LEU 13 2.847 13.864 -3.456 98 H SER 14 HN SER 14 8.833 15.791 -2.222 99 HA SER 14 HA SER 14 10.382 14.298 -0.254 100 1HB SER 14 HB2 SER 14 11.188 16.667 -1.998 101 2HB SER 14 HB3 SER 14 12.206 15.978 -0.749 102 HG SER 14 HG SER 14 11.991 13.884 -1.938 103 H CYS 15 HN CYS 15 9.635 14.827 1.780 104 HA CYS 15 HA CYS 15 8.455 17.307 2.373 105 1HB CYS 15 HB2 CYS 15 8.657 16.586 4.723 106 2HB CYS 15 HB3 CYS 15 7.893 15.400 3.684 107 H VAL 16 HN VAL 16 9.384 19.023 3.773 108 HA VAL 16 HA VAL 16 12.316 18.978 3.873 109 HB VAL 16 HB VAL 16 12.277 21.399 3.380 110 1HG1 VAL 16 HG11 VAL 16 11.030 19.691 1.200 111 2HG1 VAL 16 HG12 VAL 16 11.971 21.184 0.970 112 3HG1 VAL 16 HG13 VAL 16 12.759 19.727 1.622 113 1HG2 VAL 16 HG21 VAL 16 9.374 20.951 2.609 114 2HG2 VAL 16 HG22 VAL 16 9.926 21.820 4.061 115 3HG2 VAL 16 HG23 VAL 16 10.304 22.460 2.444 116 H ALA 17 HN ALA 17 9.883 18.399 5.733 117 HA ALA 17 HA ALA 17 11.014 19.570 8.036 118 1HB ALA 17 HB1 ALA 17 10.005 21.626 7.521 119 2HB ALA 17 HB2 ALA 17 8.565 20.854 6.816 120 3HB ALA 17 HB3 ALA 17 8.802 20.851 8.580 121 H ASN 18 HN ASN 18 9.719 18.886 10.031 122 HA ASN 18 HA ASN 18 9.682 16.163 9.622 123 1HB ASN 18 HB2 ASN 18 8.708 17.828 12.002 124 2HB ASN 18 HB3 ASN 18 8.921 16.089 12.063 125 1HD2 ASN 18 HD21 ASN 18 12.051 18.676 12.390 126 2HD2 ASN 18 HD22 ASN 18 10.393 19.152 12.236 127 H ASN 19 HN ASN 19 7.087 18.628 10.046 128 HA ASN 19 HA ASN 19 5.105 16.646 10.507 129 1HB ASN 19 HB2 ASN 19 3.544 18.650 10.468 130 2HB ASN 19 HB3 ASN 19 4.869 18.822 11.602 131 1HD2 ASN 19 HD21 ASN 19 6.441 21.517 10.041 132 2HD2 ASN 19 HD22 ASN 19 6.422 20.338 11.310 133 H TYR 20 HN TYR 20 6.616 18.158 7.733 134 HA TYR 20 HA TYR 20 4.333 19.052 6.399 135 1HB TYR 20 HB2 TYR 20 6.812 19.705 6.134 136 2HB TYR 20 HB3 TYR 20 7.097 18.153 5.371 137 HD1 TYR 20 HD1 TYR 20 5.701 21.510 4.943 138 HD2 TYR 20 HD2 TYR 20 6.235 17.684 3.105 139 HE1 TYR 20 HE1 TYR 20 5.119 22.508 2.678 140 HE2 TYR 20 HE2 TYR 20 5.651 18.695 0.847 141 HH TYR 20 HH TYR 20 5.131 20.479 -0.243 142 H CYS 21 HN CYS 21 6.053 15.919 6.381 143 HA CYS 21 HA CYS 21 5.117 14.989 3.951 144 1HB CYS 21 HB2 CYS 21 6.936 13.918 5.100 145 2HB CYS 21 HB3 CYS 21 5.913 13.513 6.464 146 H ASP 22 HN ASP 22 3.687 15.043 7.263 147 HA ASP 22 HA ASP 22 2.036 12.879 6.876 148 1HB ASP 22 HB2 ASP 22 2.672 13.998 9.073 149 2HB ASP 22 HB3 ASP 22 1.539 15.280 8.697 150 HD2 ASP 22 HD2 ASP 22 1.761 11.940 9.022 151 H ASN 23 HN ASN 23 1.390 16.461 6.733 152 HA ASN 23 HA ASN 23 -1.287 16.179 6.022 153 1HB ASN 23 HB2 ASN 23 -0.945 18.625 5.200 154 2HB ASN 23 HB3 ASN 23 -0.618 18.310 6.892 155 1HD2 ASN 23 HD21 ASN 23 2.315 19.441 4.266 156 2HD2 ASN 23 HD22 ASN 23 0.679 19.119 3.798 157 H GLN 24 HN GLN 24 1.815 16.475 4.216 158 HA GLN 24 HA GLN 24 0.768 17.030 1.734 159 1HB GLN 24 HB2 GLN 24 3.170 17.219 2.326 160 2HB GLN 24 HB3 GLN 24 3.291 15.475 2.457 161 1HG GLN 24 HG2 GLN 24 2.608 15.274 0.037 162 2HG GLN 24 HG3 GLN 24 2.572 17.022 -0.079 163 1HE2 GLN 24 HE21 GLN 24 5.828 16.648 -1.354 164 2HE2 GLN 24 HE22 GLN 24 4.146 16.829 -1.728 165 H CYS 25 HN CYS 25 1.105 13.960 3.526 166 HA CYS 25 HA CYS 25 0.655 12.394 1.165 167 1HB CYS 25 HB2 CYS 25 0.870 11.596 4.075 168 2HB CYS 25 HB3 CYS 25 0.738 10.478 2.732 169 H LYS 26 HN LYS 26 -1.109 13.377 4.192 170 HA LYS 26 HA LYS 26 -3.016 11.304 3.806 171 1HB LYS 26 HB2 LYS 26 -3.819 11.886 5.917 172 2HB LYS 26 HB3 LYS 26 -2.109 12.256 6.008 173 1HG LYS 26 HG2 LYS 26 -2.824 14.672 5.234 174 2HG LYS 26 HG3 LYS 26 -4.436 14.184 5.717 175 1HD LYS 26 HD2 LYS 26 -1.961 14.146 7.509 176 2HD LYS 26 HD3 LYS 26 -3.243 15.340 7.571 177 1HE LYS 26 HE2 LYS 26 -3.537 12.352 8.141 178 2HE LYS 26 HE3 LYS 26 -3.583 13.640 9.329 179 1HZ LYS 26 HZ1 LYS 26 -5.824 12.918 8.637 180 2HZ LYS 26 HZ2 LYS 26 -5.595 14.490 8.281 181 H MET 27 HN MET 27 -2.673 14.601 2.710 182 HA MET 27 HA MET 27 -5.336 15.357 2.841 183 1HB MET 27 HB2 MET 27 -4.613 17.208 1.384 184 2HB MET 27 HB3 MET 27 -3.317 16.866 2.512 185 1HG MET 27 HG2 MET 27 -2.303 15.336 0.696 186 2HG MET 27 HG3 MET 27 -3.488 16.000 -0.410 187 1HE MET 27 HE1 MET 27 -1.975 17.179 -2.094 188 2HE MET 27 HE2 MET 27 -0.465 18.006 -1.641 189 3HE MET 27 HE3 MET 27 -0.671 16.273 -1.289 190 H LYS 28 HN LYS 28 -3.631 13.221 0.650 191 HA LYS 28 HA LYS 28 -5.974 12.871 -0.965 192 1HB LYS 28 HB2 LYS 28 -4.979 14.928 -1.940 193 2HB LYS 28 HB3 LYS 28 -3.491 14.054 -2.243 194 1HG LYS 28 HG2 LYS 28 -5.958 12.712 -3.257 195 2HG LYS 28 HG3 LYS 28 -5.580 14.237 -4.033 196 1HD LYS 28 HD2 LYS 28 -3.285 12.343 -3.646 197 2HD LYS 28 HD3 LYS 28 -4.499 11.860 -4.814 198 1HE LYS 28 HE2 LYS 28 -2.819 13.138 -6.010 199 2HE LYS 28 HE3 LYS 28 -4.261 14.131 -5.924 200 1HZ LYS 28 HZ1 LYS 28 -2.043 15.205 -5.272 201 2HZ LYS 28 HZ2 LYS 28 -3.296 15.471 -4.265 202 H LYS 29 HN LYS 29 -2.382 12.336 -0.682 203 HA LYS 29 HA LYS 29 -2.451 10.289 -2.587 204 1HB LYS 29 HB2 LYS 29 -0.377 11.107 -0.537 205 2HB LYS 29 HB3 LYS 29 -0.104 9.856 -1.733 206 1HG LYS 29 HG2 LYS 29 -1.095 12.600 -2.581 207 2HG LYS 29 HG3 LYS 29 0.611 12.325 -2.288 208 1HD LYS 29 HD2 LYS 29 0.589 10.445 -3.947 209 2HD LYS 29 HD3 LYS 29 -1.114 10.732 -4.244 210 1HE LYS 29 HE2 LYS 29 -0.461 13.156 -4.870 211 2HE LYS 29 HE3 LYS 29 1.207 12.618 -4.843 212 1HZ LYS 29 HZ1 LYS 29 0.142 12.467 -7.073 213 2HZ LYS 29 HZ2 LYS 29 0.715 11.028 -6.573 214 H ALA 30 HN ALA 30 -2.471 10.238 1.042 215 HA ALA 30 HA ALA 30 -2.750 7.332 0.892 216 1HB ALA 30 HB1 ALA 30 -0.669 8.630 2.667 217 2HB ALA 30 HB2 ALA 30 -0.811 6.926 2.173 218 3HB ALA 30 HB3 ALA 30 -0.289 8.154 0.995 219 H SER 31 HN SER 31 -2.757 6.597 3.460 220 HA SER 31 HA SER 31 -4.923 8.067 4.575 221 1HB SER 31 HB2 SER 31 -4.858 5.615 4.748 222 2HB SER 31 HB3 SER 31 -3.326 5.678 5.596 223 HG SER 31 HG SER 31 -5.855 6.729 6.543 224 H GLY 32 HN GLY 32 -1.407 7.642 5.123 225 1HA GLY 32 HA1 GLY 32 -1.382 10.059 6.732 226 2HA GLY 32 HA2 GLY 32 -0.910 8.596 7.573 227 H GLY 33 HN GLY 33 1.208 9.848 7.746 228 1HA GLY 33 HA1 GLY 33 3.118 8.602 6.164 229 2HA GLY 33 HA2 GLY 33 2.848 10.184 5.460 230 H HIS 34 HN HIS 34 5.341 9.437 6.624 231 HA HIS 34 HA HIS 34 5.433 11.585 8.569 232 1HB HIS 34 HB2 HIS 34 5.301 9.681 10.010 233 2HB HIS 34 HB3 HIS 34 6.478 8.791 9.064 234 HD1 HIS 34 HD1 HIS 34 6.468 12.166 10.914 235 HD2 HIS 34 HD2 HIS 34 8.909 8.814 10.280 236 HE1 HIS 34 HE1 HIS 34 8.596 12.566 12.263 237 H CYS 35 HN CYS 35 7.593 12.579 8.711 238 HA CYS 35 HA CYS 35 8.652 12.571 6.042 239 1HB CYS 35 HB2 CYS 35 8.103 14.678 7.130 240 2HB CYS 35 HB3 CYS 35 9.229 14.337 8.429 241 H TYR 36 HN TYR 36 9.704 10.388 6.152 242 HA TYR 36 HA TYR 36 12.066 10.067 7.654 243 1HB TYR 36 HB2 TYR 36 10.780 8.354 6.250 244 2HB TYR 36 HB3 TYR 36 11.233 9.234 4.803 245 HD1 TYR 36 HD1 TYR 36 12.744 7.452 7.730 246 HD2 TYR 36 HD2 TYR 36 13.184 8.652 3.646 247 HE1 TYR 36 HE1 TYR 36 14.867 6.066 7.543 248 HE2 TYR 36 HE2 TYR 36 15.305 7.262 3.474 249 HH TYR 36 HH TYR 36 16.659 5.917 4.474 250 H ALA 37 HN ALA 37 14.338 10.237 6.787 251 HA ALA 37 HA ALA 37 14.591 12.996 6.583 252 1HB ALA 37 HB1 ALA 37 16.642 10.775 6.206 253 2HB ALA 37 HB2 ALA 37 17.023 12.490 6.494 254 3HB ALA 37 HB3 ALA 37 16.188 11.542 7.747 255 H MET 38 HN MET 38 14.810 10.374 4.139 256 HA MET 38 HA MET 38 16.158 12.028 2.291 257 1HB MET 38 HB2 MET 38 16.196 9.437 2.512 258 2HB MET 38 HB3 MET 38 14.620 9.434 1.745 259 1HG MET 38 HG2 MET 38 16.820 10.977 0.377 260 2HG MET 38 HG3 MET 38 16.906 9.227 0.318 261 1HE MET 38 HE1 MET 38 16.029 11.983 -1.751 262 2HE MET 38 HE2 MET 38 16.784 10.480 -2.333 263 3HE MET 38 HE3 MET 38 15.221 11.008 -3.002 264 H SER 39 HN SER 39 12.756 11.008 2.827 265 HA SER 39 HA SER 39 11.745 13.131 1.349 266 1HB SER 39 HB2 SER 39 12.174 10.557 -0.125 267 2HB SER 39 HB3 SER 39 10.631 11.347 -0.377 268 HG SER 39 HG SER 39 13.246 12.533 -0.767 269 H CYS 40 HN CYS 40 9.220 12.669 0.913 270 HA CYS 40 HA CYS 40 8.279 12.097 3.492 271 1HB CYS 40 HB2 CYS 40 7.192 13.780 2.222 272 2HB CYS 40 HB3 CYS 40 6.899 12.694 0.878 273 H TYR 41 HN TYR 41 8.378 9.968 4.225 274 HA TYR 41 HA TYR 41 7.608 7.788 2.529 275 1HB TYR 41 HB2 TYR 41 9.236 7.764 4.516 276 2HB TYR 41 HB3 TYR 41 7.897 8.149 5.578 277 HD1 TYR 41 HD1 TYR 41 9.018 5.562 3.113 278 HD2 TYR 41 HD2 TYR 41 6.680 6.424 6.591 279 HE1 TYR 41 HE1 TYR 41 8.534 3.084 3.411 280 HE2 TYR 41 HE2 TYR 41 6.204 3.943 6.877 281 HH TYR 41 HH TYR 41 7.587 1.570 4.617 282 H CYS 42 HN CYS 42 5.495 7.919 1.789 283 HA CYS 42 HA CYS 42 3.466 8.813 3.630 284 1HB CYS 42 HB2 CYS 42 3.394 8.069 0.702 285 2HB CYS 42 HB3 CYS 42 1.969 8.514 1.620 286 H GLU 43 HN GLU 43 1.538 7.454 4.115 287 HA GLU 43 HA GLU 43 2.315 4.646 4.102 288 1HB GLU 43 HB2 GLU 43 1.529 6.368 6.483 289 2HB GLU 43 HB3 GLU 43 1.442 4.618 6.536 290 1HG GLU 43 HG2 GLU 43 3.858 4.449 5.997 291 2HG GLU 43 HG3 GLU 43 3.967 6.191 5.836 292 HE2 GLU 43 HE2 GLU 43 3.963 6.716 9.295 293 H GLY 44 HN GLY 44 0.670 3.296 3.484 294 1HA GLY 44 HA1 GLY 44 -1.479 2.542 3.258 295 2HA GLY 44 HA2 GLY 44 -2.093 4.013 3.985 296 H LEU 45 HN LEU 45 0.187 3.691 1.189 297 HA LEU 45 HA LEU 45 -1.502 5.268 -0.476 298 1HB LEU 45 HB2 LEU 45 1.003 3.661 -0.959 299 2HB LEU 45 HB3 LEU 45 0.171 4.531 -2.232 300 HG LEU 45 HG LEU 45 1.062 5.949 0.274 301 1HD1 LEU 45 HD11 LEU 45 2.755 5.459 -2.192 302 2HD1 LEU 45 HD12 LEU 45 3.164 6.539 -0.837 303 3HD1 LEU 45 HD13 LEU 45 3.034 4.784 -0.569 304 1HD2 LEU 45 HD21 LEU 45 0.579 6.888 -2.567 305 2HD2 LEU 45 HD22 LEU 45 -0.501 7.132 -1.173 306 3HD2 LEU 45 HD23 LEU 45 1.102 7.907 -1.204 307 HA PRO 46 HA PRO 46 -3.652 1.938 -2.430 308 1HB PRO 46 HB2 PRO 46 -4.170 3.040 -4.876 309 2HB PRO 46 HB3 PRO 46 -5.173 3.320 -3.467 310 1HG PRO 46 HG2 PRO 46 -3.223 5.137 -4.744 311 2HG PRO 46 HG3 PRO 46 -4.517 5.525 -3.628 312 1HD PRO 46 HD2 PRO 46 -1.719 5.362 -3.020 313 2HD PRO 46 HD3 PRO 46 -3.025 5.636 -1.883 314 H GLU 47 HN GLU 47 -3.527 0.325 -4.191 315 HA GLU 47 HA GLU 47 -0.798 -0.346 -4.081 316 1HB GLU 47 HB2 GLU 47 -3.213 -1.693 -5.356 317 2HB GLU 47 HB3 GLU 47 -1.613 -2.407 -5.382 318 1HG GLU 47 HG2 GLU 47 -1.533 -2.345 -2.887 319 2HG GLU 47 HG3 GLU 47 -3.120 -1.601 -2.848 320 HE2 GLU 47 HE2 GLU 47 -2.811 -5.522 -3.552 321 H ASN 48 HN ASN 48 -2.758 1.392 -6.351 322 HA ASN 48 HA ASN 48 -1.381 0.446 -8.655 323 1HB ASN 48 HB2 ASN 48 -2.795 2.122 -9.857 324 2HB ASN 48 HB3 ASN 48 -3.766 1.132 -8.786 325 1HD2 ASN 48 HD21 ASN 48 -5.033 3.754 -6.937 326 2HD2 ASN 48 HD22 ASN 48 -5.025 2.073 -7.352 327 H ALA 49 HN ALA 49 -0.723 2.644 -6.137 328 HA ALA 49 HA ALA 49 0.361 4.789 -7.683 329 1HB ALA 49 HB1 ALA 49 -0.646 5.068 -5.426 330 2HB ALA 49 HB2 ALA 49 0.667 4.084 -4.736 331 3HB ALA 49 HB3 ALA 49 1.033 5.654 -5.490 332 H LYS 50 HN LYS 50 2.608 5.346 -7.902 333 HA LYS 50 HA LYS 50 4.314 2.970 -7.805 334 1HB LYS 50 HB2 LYS 50 4.071 3.893 -10.014 335 2HB LYS 50 HB3 LYS 50 4.446 5.509 -9.451 336 1HG LYS 50 HG2 LYS 50 6.460 4.628 -10.463 337 2HG LYS 50 HG3 LYS 50 6.733 4.670 -8.733 338 1HD LYS 50 HD2 LYS 50 6.282 2.273 -8.530 339 2HD LYS 50 HD3 LYS 50 5.748 2.179 -10.196 340 1HE LYS 50 HE2 LYS 50 8.043 1.336 -10.055 341 2HE LYS 50 HE3 LYS 50 8.049 2.837 -10.960 342 1HZ LYS 50 HZ1 LYS 50 8.879 4.001 -9.066 343 2HZ LYS 50 HZ2 LYS 50 8.601 2.761 -8.048 344 H VAL 51 HN VAL 51 5.899 2.816 -6.308 345 HA VAL 51 HA VAL 51 6.797 5.320 -5.073 346 HB VAL 51 HB VAL 51 6.608 4.452 -2.920 347 1HG1 VAL 51 HG11 VAL 51 4.439 5.113 -3.908 348 2HG1 VAL 51 HG12 VAL 51 4.156 3.423 -4.389 349 3HG1 VAL 51 HG13 VAL 51 4.258 3.852 -2.664 350 1HG2 VAL 51 HG21 VAL 51 5.914 2.058 -2.482 351 2HG2 VAL 51 HG22 VAL 51 6.208 1.737 -4.208 352 3HG2 VAL 51 HG23 VAL 51 7.545 2.270 -3.161 353 H SER 52 HN SER 52 9.108 5.100 -4.134 354 HA SER 52 HA SER 52 10.052 2.365 -4.501 355 1HB SER 52 HB2 SER 52 11.682 3.844 -5.439 356 2HB SER 52 HB3 SER 52 11.541 4.982 -4.115 357 HG SER 52 HG SER 52 13.433 3.297 -4.255 358 H ASP 53 HN ASP 53 11.061 1.329 -2.577 359 HA ASP 53 HA ASP 53 10.755 2.821 -0.124 360 1HB ASP 53 HB2 ASP 53 9.834 0.766 1.018 361 2HB ASP 53 HB3 ASP 53 8.731 1.485 -0.139 362 HD2 ASP 53 HD2 ASP 53 8.077 -0.682 0.419 363 H SER 54 HN SER 54 13.072 2.178 -1.781 364 HA SER 54 HA SER 54 14.470 0.357 -0.036 365 1HB SER 54 HB2 SER 54 15.424 -0.808 -2.138 366 2HB SER 54 HB3 SER 54 13.800 -1.245 -1.645 367 HG SER 54 HG SER 54 13.752 -0.867 -3.880 368 H ALA 55 HN ALA 55 15.070 2.851 0.287 369 HA ALA 55 HA ALA 55 16.589 4.451 0.113 370 1HB ALA 55 HB1 ALA 55 18.288 2.306 -1.221 371 2HB ALA 55 HB2 ALA 55 18.872 3.766 -0.387 372 3HB ALA 55 HB3 ALA 55 18.067 2.474 0.537 373 H THR 56 HN THR 56 14.593 4.510 -1.869 374 HA THR 56 HA THR 56 14.207 5.986 -3.498 375 HB THR 56 HB THR 56 17.195 6.466 -3.821 376 HG1 THR 56 HG1 THR 56 17.026 7.656 -1.843 377 1HG2 THR 56 HG21 THR 56 15.329 7.754 -5.131 378 2HG2 THR 56 HG22 THR 56 14.913 8.469 -3.555 379 3HG2 THR 56 HG23 THR 56 16.530 8.730 -4.252 380 H ASN 57 HN ASN 57 17.379 4.538 -4.529 381 HA ASN 57 HA ASN 57 17.954 4.143 -6.625 382 1HB ASN 57 HB2 ASN 57 16.855 2.019 -7.502 383 2HB ASN 57 HB3 ASN 57 17.399 1.897 -5.841 384 1HD2 ASN 57 HD21 ASN 57 14.314 1.295 -4.423 385 2HD2 ASN 57 HD22 ASN 57 15.912 1.902 -4.143 386 H ILE 58 HN ILE 58 16.192 6.392 -6.613 387 HA ILE 58 HA ILE 58 15.039 6.072 -9.258 388 HB ILE 58 HB ILE 58 13.501 6.661 -6.777 389 1HG1 ILE 58 HG12 ILE 58 12.888 5.213 -9.369 390 2HG1 ILE 58 HG13 ILE 58 13.303 4.475 -7.835 391 1HG2 ILE 58 HG21 ILE 58 13.318 8.759 -7.997 392 2HG2 ILE 58 HG22 ILE 58 12.853 7.882 -9.474 393 3HG2 ILE 58 HG23 ILE 58 11.781 7.863 -8.053 394 1HD1 ILE 58 HD11 ILE 58 10.944 4.353 -7.860 395 2HD1 ILE 58 HD12 ILE 58 11.252 5.808 -6.881 396 3HD1 ILE 58 HD13 ILE 58 10.776 5.969 -8.589 397 H CYS 59 HN CYS 59 15.071 8.038 -10.481 398 HA CYS 59 HA CYS 59 16.534 9.522 -11.220 399 1HB CYS 59 HB2 CYS 59 15.380 10.789 -8.763 400 2HB CYS 59 HB3 CYS 59 16.641 11.627 -9.646 401 H GLY 60 HN GLY 60 18.090 7.558 -10.480 402 1HA GLY 60 HA1 GLY 60 19.728 7.922 -8.207 403 2HA GLY 60 HA2 GLY 60 20.042 6.885 -9.584 Start of MODEL 7 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.031 -0.133 3 1HB LYS 1 HB2 LYS 1 1.379 0.603 -2.070 4 2HB LYS 1 HB3 LYS 1 1.908 1.868 -0.979 5 1HG LYS 1 HG2 LYS 1 3.962 1.306 -1.899 6 2HG LYS 1 HG3 LYS 1 3.956 0.189 -0.548 7 1HD LYS 1 HD2 LYS 1 3.167 -1.640 -1.970 8 2HD LYS 1 HD3 LYS 1 2.901 -0.548 -3.315 9 1HE LYS 1 HE2 LYS 1 5.384 -0.025 -3.319 10 2HE LYS 1 HE3 LYS 1 5.605 -1.227 -2.063 11 1HZ LYS 1 HZ1 LYS 1 4.555 -1.752 -4.792 12 2HZ LYS 1 HZ2 LYS 1 5.995 -2.238 -4.205 13 H ASP 2 HN ASP 2 2.366 -1.427 1.962 14 HA ASP 2 HA ASP 2 3.248 0.879 3.441 15 1HB ASP 2 HB2 ASP 2 1.373 -1.201 4.660 16 2HB ASP 2 HB3 ASP 2 2.076 0.165 5.503 17 HD2 ASP 2 HD2 ASP 2 0.036 -0.710 2.987 18 H GLY 3 HN GLY 3 4.994 0.299 4.892 19 1HA GLY 3 HA1 GLY 3 5.674 -1.984 6.073 20 2HA GLY 3 HA2 GLY 3 6.123 -2.343 4.418 21 H TYR 4 HN TYR 4 8.370 -2.315 4.569 22 HA TYR 4 HA TYR 4 9.559 0.122 5.699 23 1HB TYR 4 HB2 TYR 4 10.920 -2.521 4.960 24 2HB TYR 4 HB3 TYR 4 11.449 -1.355 6.157 25 HD1 TYR 4 HD1 TYR 4 9.980 -1.071 8.274 26 HD2 TYR 4 HD2 TYR 4 9.649 -4.394 5.600 27 HE1 TYR 4 HE1 TYR 4 8.834 -2.429 10.093 28 HE2 TYR 4 HE2 TYR 4 8.505 -5.741 7.428 29 HH TYR 4 HH TYR 4 7.703 -5.732 9.432 30 HA PRO 5 HA PRO 5 10.003 0.795 1.411 31 1HB PRO 5 HB2 PRO 5 10.492 3.483 1.485 32 2HB PRO 5 HB3 PRO 5 8.878 2.801 1.526 33 1HG PRO 5 HG2 PRO 5 10.445 3.987 3.734 34 2HG PRO 5 HG3 PRO 5 8.720 3.697 3.645 35 1HD PRO 5 HD2 PRO 5 10.648 2.146 5.096 36 2HD PRO 5 HD3 PRO 5 8.942 1.791 4.911 37 H VAL 6 HN VAL 6 11.554 0.944 -0.216 38 HA VAL 6 HA VAL 6 14.144 1.903 0.691 39 HB VAL 6 HB VAL 6 14.445 -0.371 1.138 40 1HG1 VAL 6 HG11 VAL 6 12.469 -1.341 0.202 41 2HG1 VAL 6 HG12 VAL 6 12.970 -0.923 -1.454 42 3HG1 VAL 6 HG13 VAL 6 13.861 -2.165 -0.542 43 1HG2 VAL 6 HG21 VAL 6 16.139 -1.068 -0.401 44 2HG2 VAL 6 HG22 VAL 6 15.428 -0.105 -1.718 45 3HG2 VAL 6 HG23 VAL 6 16.189 0.710 -0.331 46 H ASP 7 HN ASP 7 14.856 3.368 -0.773 47 HA ASP 7 HA ASP 7 14.908 2.659 -3.482 48 1HB ASP 7 HB2 ASP 7 13.663 5.038 -3.971 49 2HB ASP 7 HB3 ASP 7 12.842 3.491 -4.027 50 HD2 ASP 7 HD2 ASP 7 12.095 5.940 -0.939 51 H SER 8 HN SER 8 14.472 5.833 -1.733 52 HA SER 8 HA SER 8 16.834 6.803 -2.999 53 1HB SER 8 HB2 SER 8 16.242 8.942 -1.825 54 2HB SER 8 HB3 SER 8 14.933 8.302 -2.798 55 HG SER 8 HG SER 8 14.211 9.000 -0.681 56 H LYS 9 HN LYS 9 16.000 5.202 -0.032 57 HA LYS 9 HA LYS 9 18.138 6.508 1.455 58 1HB LYS 9 HB2 LYS 9 17.132 5.347 3.403 59 2HB LYS 9 HB3 LYS 9 16.022 6.427 2.585 60 1HG LYS 9 HG2 LYS 9 15.969 3.675 1.490 61 2HG LYS 9 HG3 LYS 9 15.534 3.743 3.186 62 1HD LYS 9 HD2 LYS 9 14.301 5.675 1.188 63 2HD LYS 9 HD3 LYS 9 13.646 4.062 1.395 64 1HE LYS 9 HE2 LYS 9 13.216 4.468 3.775 65 2HE LYS 9 HE3 LYS 9 14.063 6.002 3.717 66 1HZ LYS 9 HZ1 LYS 9 12.362 6.875 2.262 67 2HZ LYS 9 HZ2 LYS 9 11.626 5.429 2.117 68 H GLY 10 HN GLY 10 17.491 3.684 -0.453 69 1HA GLY 10 HA1 GLY 10 19.205 2.455 -1.340 70 2HA GLY 10 HA2 GLY 10 20.293 3.038 -0.096 71 H CYS 11 HN CYS 11 19.634 2.265 2.269 72 HA CYS 11 HA CYS 11 18.719 -0.501 2.101 73 1HB CYS 11 HB2 CYS 11 21.318 0.445 3.313 74 2HB CYS 11 HB3 CYS 11 20.579 -1.091 3.720 75 H LYS 12 HN LYS 12 17.026 1.510 2.890 76 HA LYS 12 HA LYS 12 15.508 1.704 4.485 77 1HB LYS 12 HB2 LYS 12 16.565 -0.781 4.977 78 2HB LYS 12 HB3 LYS 12 16.792 0.005 6.526 79 1HG LYS 12 HG2 LYS 12 14.611 -0.881 6.710 80 2HG LYS 12 HG3 LYS 12 14.311 0.792 6.282 81 1HD LYS 12 HD2 LYS 12 12.932 -0.244 4.726 82 2HD LYS 12 HD3 LYS 12 14.406 -0.158 3.782 83 1HE LYS 12 HE2 LYS 12 14.989 -2.499 4.664 84 2HE LYS 12 HE3 LYS 12 13.380 -2.566 5.353 85 1HZ LYS 12 HZ1 LYS 12 12.540 -2.097 3.036 86 2HZ LYS 12 HZ2 LYS 12 14.054 -2.315 2.476 87 H LEU 13 HN LEU 13 15.149 2.800 6.633 88 HA LEU 13 HA LEU 13 17.338 4.425 7.473 89 1HB LEU 13 HB2 LEU 13 14.503 3.990 8.276 90 2HB LEU 13 HB3 LEU 13 15.585 4.700 9.457 91 HG LEU 13 HG LEU 13 16.162 6.482 7.804 92 1HD1 LEU 13 HD11 LEU 13 15.711 5.395 5.722 93 2HD1 LEU 13 HD12 LEU 13 14.005 5.137 6.159 94 3HD1 LEU 13 HD13 LEU 13 14.609 6.786 5.865 95 1HD2 LEU 13 HD21 LEU 13 14.485 6.835 9.563 96 2HD2 LEU 13 HD22 LEU 13 14.100 7.745 8.083 97 3HD2 LEU 13 HD23 LEU 13 13.213 6.250 8.465 98 H SER 14 HN SER 14 16.035 1.227 8.266 99 HA SER 14 HA SER 14 16.702 -0.319 9.649 100 1HB SER 14 HB2 SER 14 18.991 1.369 10.698 101 2HB SER 14 HB3 SER 14 18.896 -0.376 10.567 102 HG SER 14 HG SER 14 19.511 1.561 8.585 103 H CYS 15 HN CYS 15 17.528 2.853 11.302 104 HA CYS 15 HA CYS 15 16.217 4.056 12.603 105 1HB CYS 15 HB2 CYS 15 13.964 3.812 12.638 106 2HB CYS 15 HB3 CYS 15 14.342 2.819 11.245 107 H VAL 16 HN VAL 16 16.410 4.309 14.842 108 HA VAL 16 HA VAL 16 16.425 1.866 16.452 109 HB VAL 16 HB VAL 16 18.751 2.613 15.803 110 1HG1 VAL 16 HG11 VAL 16 19.718 4.542 16.889 111 2HG1 VAL 16 HG12 VAL 16 18.285 5.062 15.970 112 3HG1 VAL 16 HG13 VAL 16 18.192 4.883 17.739 113 1HG2 VAL 16 HG21 VAL 16 18.211 1.178 17.772 114 2HG2 VAL 16 HG22 VAL 16 19.669 2.175 17.996 115 3HG2 VAL 16 HG23 VAL 16 18.140 2.646 18.776 116 H ALA 17 HN ALA 17 14.607 4.309 15.770 117 HA ALA 17 HA ALA 17 13.759 4.862 18.420 118 1HB ALA 17 HB1 ALA 17 14.218 7.380 18.180 119 2HB ALA 17 HB2 ALA 17 15.611 6.346 18.580 120 3HB ALA 17 HB3 ALA 17 15.388 6.933 16.915 121 H ASN 18 HN ASN 18 11.750 6.148 18.405 122 HA ASN 18 HA ASN 18 10.308 5.191 16.190 123 1HB ASN 18 HB2 ASN 18 9.337 7.052 18.420 124 2HB ASN 18 HB3 ASN 18 8.330 6.029 17.414 125 1HD2 ASN 18 HD21 ASN 18 9.349 2.930 18.931 126 2HD2 ASN 18 HD22 ASN 18 8.977 3.661 17.405 127 H ASN 19 HN ASN 19 11.225 8.428 17.530 128 HA ASN 19 HA ASN 19 9.730 9.936 15.760 129 1HB ASN 19 HB2 ASN 19 11.434 11.768 16.362 130 2HB ASN 19 HB3 ASN 19 10.646 11.005 17.729 131 1HD2 ASN 19 HD21 ASN 19 13.493 9.568 19.125 132 2HD2 ASN 19 HD22 ASN 19 11.780 9.826 19.166 133 H TYR 20 HN TYR 20 12.956 8.387 15.599 134 HA TYR 20 HA TYR 20 14.034 9.973 13.553 135 1HB TYR 20 HB2 TYR 20 15.228 8.421 15.185 136 2HB TYR 20 HB3 TYR 20 14.456 7.044 14.422 137 HD1 TYR 20 HD1 TYR 20 17.055 9.628 14.060 138 HD2 TYR 20 HD2 TYR 20 15.222 6.204 12.264 139 HE1 TYR 20 HE1 TYR 20 18.997 9.433 12.431 140 HE2 TYR 20 HE2 TYR 20 17.171 6.020 10.642 141 HH TYR 20 HH TYR 20 19.051 6.846 9.991 142 H CYS 21 HN CYS 21 12.022 6.996 13.542 143 HA CYS 21 HA CYS 21 12.164 6.728 10.715 144 1HB CYS 21 HB2 CYS 21 11.684 4.770 11.937 145 2HB CYS 21 HB3 CYS 21 10.405 5.542 12.852 146 H ASP 22 HN ASP 22 9.742 8.054 13.118 147 HA ASP 22 HA ASP 22 7.723 7.992 11.258 148 1HB ASP 22 HB2 ASP 22 7.453 8.112 13.755 149 2HB ASP 22 HB3 ASP 22 7.987 9.781 13.721 150 HD2 ASP 22 HD2 ASP 22 4.668 10.653 13.555 151 H ASN 23 HN ASN 23 9.992 10.594 12.314 152 HA ASN 23 HA ASN 23 8.618 12.722 11.257 153 1HB ASN 23 HB2 ASN 23 10.572 13.976 11.728 154 2HB ASN 23 HB3 ASN 23 10.760 12.603 12.800 155 1HD2 ASN 23 HD21 ASN 23 13.385 11.028 11.006 156 2HD2 ASN 23 HD22 ASN 23 12.111 10.846 12.165 157 H GLN 24 HN GLN 24 10.780 10.281 9.816 158 HA GLN 24 HA GLN 24 11.174 11.875 7.456 159 1HB GLN 24 HB2 GLN 24 13.040 10.540 8.466 160 2HB GLN 24 HB3 GLN 24 12.156 9.065 8.127 161 1HG GLN 24 HG2 GLN 24 12.401 9.294 5.779 162 2HG GLN 24 HG3 GLN 24 12.696 11.019 5.875 163 1HE2 GLN 24 HE21 GLN 24 15.873 9.167 5.152 164 2HE2 GLN 24 HE22 GLN 24 14.295 9.264 4.443 165 H CYS 25 HN CYS 25 9.238 9.141 8.630 166 HA CYS 25 HA CYS 25 8.319 8.218 6.174 167 1HB CYS 25 HB2 CYS 25 6.976 8.307 8.881 168 2HB CYS 25 HB3 CYS 25 6.316 7.472 7.489 169 H LYS 26 HN LYS 26 7.079 10.780 8.446 170 HA LYS 26 HA LYS 26 4.794 11.209 6.790 171 1HB LYS 26 HB2 LYS 26 4.161 12.836 8.483 172 2HB LYS 26 HB3 LYS 26 4.668 11.335 9.232 173 1HG LYS 26 HG2 LYS 26 6.371 12.360 10.336 174 2HG LYS 26 HG3 LYS 26 6.970 13.099 8.864 175 1HD LYS 26 HD2 LYS 26 4.526 14.190 10.318 176 2HD LYS 26 HD3 LYS 26 6.151 14.687 10.750 177 1HE LYS 26 HE2 LYS 26 6.526 15.366 8.329 178 2HE LYS 26 HE3 LYS 26 4.846 14.989 8.003 179 1HZ LYS 26 HZ1 LYS 26 5.174 17.355 8.533 180 2HZ LYS 26 HZ2 LYS 26 4.196 16.665 9.637 181 H MET 27 HN MET 27 8.063 12.227 6.700 182 HA MET 27 HA MET 27 7.916 14.891 6.247 183 1HB MET 27 HB2 MET 27 9.996 13.434 6.429 184 2HB MET 27 HB3 MET 27 9.707 12.860 4.799 185 1HG MET 27 HG2 MET 27 9.837 15.267 3.988 186 2HG MET 27 HG3 MET 27 10.270 15.752 5.615 187 1HE MET 27 HE1 MET 27 13.756 14.394 6.205 188 2HE MET 27 HE2 MET 27 12.509 15.587 6.641 189 3HE MET 27 HE3 MET 27 12.195 13.849 6.862 190 H LYS 28 HN LYS 28 7.466 12.203 3.864 191 HA LYS 28 HA LYS 28 6.010 13.773 2.059 192 1HB LYS 28 HB2 LYS 28 7.670 14.064 0.277 193 2HB LYS 28 HB3 LYS 28 8.084 14.986 1.708 194 1HG LYS 28 HG2 LYS 28 9.574 12.995 2.405 195 2HG LYS 28 HG3 LYS 28 9.308 12.345 0.800 196 1HD LYS 28 HD2 LYS 28 10.213 14.474 -0.192 197 2HD LYS 28 HD3 LYS 28 10.521 15.079 1.424 198 1HE LYS 28 HE2 LYS 28 12.615 14.175 0.764 199 2HE LYS 28 HE3 LYS 28 11.935 12.924 1.786 200 1HZ LYS 28 HZ1 LYS 28 12.827 12.116 -0.396 201 2HZ LYS 28 HZ2 LYS 28 11.275 11.692 -0.148 202 H LYS 29 HN LYS 29 8.344 11.070 2.549 203 HA LYS 29 HA LYS 29 7.596 9.538 0.383 204 1HB LYS 29 HB2 LYS 29 8.662 8.778 3.113 205 2HB LYS 29 HB3 LYS 29 8.446 7.619 1.818 206 1HG LYS 29 HG2 LYS 29 9.854 10.064 0.929 207 2HG LYS 29 HG3 LYS 29 10.701 9.231 2.218 208 1HD LYS 29 HD2 LYS 29 11.511 8.264 0.173 209 2HD LYS 29 HD3 LYS 29 10.437 7.068 0.872 210 1HE LYS 29 HE2 LYS 29 8.624 7.693 -0.639 211 2HE LYS 29 HE3 LYS 29 9.505 9.097 -1.208 212 1HZ LYS 29 HZ1 LYS 29 9.644 7.106 -2.700 213 2HZ LYS 29 HZ2 LYS 29 11.106 7.675 -2.263 214 H ALA 30 HN ALA 30 6.060 9.895 3.623 215 HA ALA 30 HA ALA 30 3.932 8.106 2.758 216 1HB ALA 30 HB1 ALA 30 5.817 6.741 3.774 217 2HB ALA 30 HB2 ALA 30 5.524 7.610 5.300 218 3HB ALA 30 HB3 ALA 30 4.246 6.590 4.597 219 H SER 31 HN SER 31 2.383 7.893 4.897 220 HA SER 31 HA SER 31 1.771 10.602 5.548 221 1HB SER 31 HB2 SER 31 0.459 8.021 6.509 222 2HB SER 31 HB3 SER 31 -0.212 9.632 6.665 223 HG SER 31 HG SER 31 -0.250 9.777 4.314 224 H GLY 32 HN GLY 32 3.373 7.801 7.012 225 1HA GLY 32 HA1 GLY 32 4.667 9.000 9.053 226 2HA GLY 32 HA2 GLY 32 3.071 8.741 9.728 227 H GLY 33 HN GLY 33 4.747 7.363 11.151 228 1HA GLY 33 HA1 GLY 33 3.725 4.908 11.280 229 2HA GLY 33 HA2 GLY 33 5.004 4.659 10.108 230 H HIS 34 HN HIS 34 6.505 3.441 11.385 231 HA HIS 34 HA HIS 34 7.135 4.503 14.004 232 1HB HIS 34 HB2 HIS 34 4.929 3.289 14.169 233 2HB HIS 34 HB3 HIS 34 5.764 1.819 13.706 234 HD1 HIS 34 HD1 HIS 34 5.424 4.269 16.556 235 HD2 HIS 34 HD2 HIS 34 7.369 0.649 15.710 236 HE1 HIS 34 HE1 HIS 34 6.299 3.389 18.786 237 H CYS 35 HN CYS 35 8.936 3.361 15.025 238 HA CYS 35 HA CYS 35 10.612 2.106 13.029 239 1HB CYS 35 HB2 CYS 35 11.647 3.834 14.307 240 2HB CYS 35 HB3 CYS 35 11.134 3.122 15.823 241 H TYR 36 HN TYR 36 10.055 -0.062 12.750 242 HA TYR 36 HA TYR 36 9.395 -1.558 15.198 243 1HB TYR 36 HB2 TYR 36 7.537 -1.067 13.509 244 2HB TYR 36 HB3 TYR 36 8.504 -1.822 12.257 245 HD1 TYR 36 HD1 TYR 36 6.453 -2.428 15.257 246 HD2 TYR 36 HD2 TYR 36 8.707 -4.243 12.106 247 HE1 TYR 36 HE1 TYR 36 5.409 -4.682 15.799 248 HE2 TYR 36 HE2 TYR 36 7.656 -6.491 12.659 249 HH TYR 36 HH TYR 36 5.290 -6.774 15.300 250 H ALA 37 HN ALA 37 10.702 -3.258 15.684 251 HA ALA 37 HA ALA 37 12.311 -4.786 15.453 252 1HB ALA 37 HB1 ALA 37 11.760 -6.520 13.813 253 2HB ALA 37 HB2 ALA 37 10.269 -5.891 14.554 254 3HB ALA 37 HB3 ALA 37 10.734 -5.376 12.915 255 H MET 38 HN MET 38 13.388 -2.376 14.761 256 HA MET 38 HA MET 38 15.133 -1.529 13.779 257 1HB MET 38 HB2 MET 38 15.936 -3.956 14.427 258 2HB MET 38 HB3 MET 38 15.821 -4.311 12.715 259 1HG MET 38 HG2 MET 38 18.100 -3.652 13.064 260 2HG MET 38 HG3 MET 38 17.339 -2.269 12.304 261 1HE MET 38 HE1 MET 38 19.550 -0.254 14.658 262 2HE MET 38 HE2 MET 38 19.859 -1.546 13.473 263 3HE MET 38 HE3 MET 38 18.691 -0.257 13.099 264 H SER 39 HN SER 39 12.655 -1.609 12.209 265 HA SER 39 HA SER 39 14.055 -0.614 9.935 266 1HB SER 39 HB2 SER 39 11.882 -2.728 9.616 267 2HB SER 39 HB3 SER 39 12.416 -1.693 8.306 268 HG SER 39 HG SER 39 14.678 -2.643 9.244 269 H CYS 40 HN CYS 40 12.853 1.100 8.880 270 HA CYS 40 HA CYS 40 10.971 2.283 10.666 271 1HB CYS 40 HB2 CYS 40 12.605 3.696 9.651 272 2HB CYS 40 HB3 CYS 40 12.169 3.165 8.039 273 H TYR 41 HN TYR 41 8.993 1.166 10.652 274 HA TYR 41 HA TYR 41 7.800 0.332 8.185 275 1HB TYR 41 HB2 TYR 41 7.571 -0.718 10.525 276 2HB TYR 41 HB3 TYR 41 6.736 0.730 11.051 277 HD1 TYR 41 HD1 TYR 41 6.506 -2.025 8.528 278 HD2 TYR 41 HD2 TYR 41 4.403 0.869 10.874 279 HE1 TYR 41 HE1 TYR 41 4.289 -3.026 7.788 280 HE2 TYR 41 HE2 TYR 41 2.193 -0.141 10.126 281 HH TYR 41 HH TYR 41 2.142 -2.944 7.938 282 H CYS 42 HN CYS 42 7.407 2.091 6.818 283 HA CYS 42 HA CYS 42 5.948 4.326 7.966 284 1HB CYS 42 HB2 CYS 42 7.190 3.976 5.229 285 2HB CYS 42 HB3 CYS 42 6.364 5.417 5.788 286 H GLU 43 HN GLU 43 3.956 5.096 6.777 287 HA GLU 43 HA GLU 43 2.581 2.813 5.603 288 1HB GLU 43 HB2 GLU 43 1.642 4.574 7.901 289 2HB GLU 43 HB3 GLU 43 0.536 3.587 6.967 290 1HG GLU 43 HG2 GLU 43 1.855 1.546 7.546 291 2HG GLU 43 HG3 GLU 43 2.980 2.527 8.463 292 HE2 GLU 43 HE2 GLU 43 0.860 2.755 11.203 293 H GLY 44 HN GLY 44 1.304 3.305 3.828 294 1HA GLY 44 HA1 GLY 44 -0.015 4.620 2.480 295 2HA GLY 44 HA2 GLY 44 0.398 6.039 3.422 296 H LEU 45 HN LEU 45 2.231 3.539 1.505 297 HA LEU 45 HA LEU 45 3.995 5.648 0.584 298 1HB LEU 45 HB2 LEU 45 4.037 2.644 0.487 299 2HB LEU 45 HB3 LEU 45 5.119 3.598 -0.508 300 HG LEU 45 HG LEU 45 6.132 2.790 1.611 301 1HD1 LEU 45 HD11 LEU 45 6.994 4.775 0.421 302 2HD1 LEU 45 HD12 LEU 45 5.954 5.809 1.429 303 3HD1 LEU 45 HD13 LEU 45 7.256 4.856 2.180 304 1HD2 LEU 45 HD21 LEU 45 5.503 3.642 3.741 305 2HD2 LEU 45 HD22 LEU 45 4.334 4.774 3.019 306 3HD2 LEU 45 HD23 LEU 45 4.025 3.022 2.966 307 HA PRO 46 HA PRO 46 2.381 5.370 -3.569 308 1HB PRO 46 HB2 PRO 46 4.580 6.192 -4.968 309 2HB PRO 46 HB3 PRO 46 3.391 7.301 -4.314 310 1HG PRO 46 HG2 PRO 46 6.113 6.708 -3.325 311 2HG PRO 46 HG3 PRO 46 5.089 8.083 -2.962 312 1HD PRO 46 HD2 PRO 46 5.592 5.823 -1.268 313 2HD PRO 46 HD3 PRO 46 4.479 7.140 -0.956 314 H GLU 47 HN GLU 47 2.610 4.098 -5.539 315 HA GLU 47 HA GLU 47 3.250 1.541 -4.657 316 1HB GLU 47 HB2 GLU 47 2.530 2.704 -7.367 317 2HB GLU 47 HB3 GLU 47 2.892 0.999 -7.186 318 1HG GLU 47 HG2 GLU 47 0.823 2.416 -5.451 319 2HG GLU 47 HG3 GLU 47 0.409 1.680 -6.987 320 HE2 GLU 47 HE2 GLU 47 1.406 -1.567 -5.611 321 H ASN 48 HN ASN 48 5.092 4.040 -6.354 322 HA ASN 48 HA ASN 48 6.825 2.251 -7.652 323 1HB ASN 48 HB2 ASN 48 8.168 4.334 -8.121 324 2HB ASN 48 HB3 ASN 48 6.472 4.530 -8.519 325 1HD2 ASN 48 HD21 ASN 48 5.977 7.267 -6.485 326 2HD2 ASN 48 HD22 ASN 48 5.437 6.210 -7.747 327 H ALA 49 HN ALA 49 6.545 3.579 -4.430 328 HA ALA 49 HA ALA 49 9.347 3.241 -3.797 329 1HB ALA 49 HB1 ALA 49 8.054 5.104 -2.836 330 2HB ALA 49 HB2 ALA 49 6.923 3.948 -2.093 331 3HB ALA 49 HB3 ALA 49 8.620 4.004 -1.557 332 H LYS 50 HN LYS 50 9.837 1.044 -4.056 333 HA LYS 50 HA LYS 50 8.109 -1.015 -3.309 334 1HB LYS 50 HB2 LYS 50 9.970 -1.234 -4.917 335 2HB LYS 50 HB3 LYS 50 11.127 -1.038 -3.616 336 1HG LYS 50 HG2 LYS 50 9.039 -3.143 -3.190 337 2HG LYS 50 HG3 LYS 50 10.197 -3.470 -4.464 338 1HD LYS 50 HD2 LYS 50 12.076 -3.066 -2.860 339 2HD LYS 50 HD3 LYS 50 10.919 -2.738 -1.586 340 1HE LYS 50 HE2 LYS 50 9.952 -5.079 -1.988 341 2HE LYS 50 HE3 LYS 50 11.298 -5.380 -3.069 342 1HZ LYS 50 HZ1 LYS 50 12.809 -4.893 -1.190 343 2HZ LYS 50 HZ2 LYS 50 11.540 -4.680 -0.191 344 H VAL 51 HN VAL 51 7.765 -2.136 -1.415 345 HA VAL 51 HA VAL 51 9.406 -1.284 0.870 346 HB VAL 51 HB VAL 51 7.500 -1.391 2.267 347 1HG1 VAL 51 HG11 VAL 51 6.142 0.392 1.430 348 2HG1 VAL 51 HG12 VAL 51 7.792 0.652 0.813 349 3HG1 VAL 51 HG13 VAL 51 6.535 -0.015 -0.257 350 1HG2 VAL 51 HG21 VAL 51 5.219 -1.957 1.323 351 2HG2 VAL 51 HG22 VAL 51 6.057 -2.582 -0.117 352 3HG2 VAL 51 HG23 VAL 51 6.349 -3.324 1.474 353 H SER 52 HN SER 52 10.288 -2.958 2.151 354 HA SER 52 HA SER 52 9.515 -5.640 1.562 355 1HB SER 52 HB2 SER 52 11.722 -5.512 2.348 356 2HB SER 52 HB3 SER 52 11.342 -4.290 3.545 357 HG SER 52 HG SER 52 11.551 -6.100 4.780 358 H ASP 53 HN ASP 53 8.584 -7.079 3.352 359 HA ASP 53 HA ASP 53 6.990 -5.603 5.248 360 1HB ASP 53 HB2 ASP 53 4.929 -6.857 4.608 361 2HB ASP 53 HB3 ASP 53 5.488 -5.806 3.322 362 HD2 ASP 53 HD2 ASP 53 4.632 -9.083 1.930 363 H SER 54 HN SER 54 9.348 -7.324 5.473 364 HA SER 54 HA SER 54 8.309 -9.266 7.253 365 1HB SER 54 HB2 SER 54 9.571 -11.183 6.063 366 2HB SER 54 HB3 SER 54 8.026 -10.700 5.391 367 HG SER 54 HG SER 54 9.650 -10.932 3.734 368 H ALA 55 HN ALA 55 9.720 -7.449 8.325 369 HA ALA 55 HA ALA 55 11.520 -7.072 9.559 370 1HB ALA 55 HB1 ALA 55 12.038 -10.031 9.055 371 2HB ALA 55 HB2 ALA 55 12.713 -9.059 10.384 372 3HB ALA 55 HB3 ALA 55 10.962 -9.368 10.308 373 H THR 56 HN THR 56 11.913 -6.023 7.121 374 HA THR 56 HA THR 56 13.656 -5.014 6.151 375 HB THR 56 HB THR 56 15.611 -6.917 7.488 376 HG1 THR 56 HG1 THR 56 14.002 -4.713 8.572 377 1HG2 THR 56 HG21 THR 56 16.493 -5.007 6.115 378 2HG2 THR 56 HG22 THR 56 15.529 -3.878 7.098 379 3HG2 THR 56 HG23 THR 56 16.862 -4.793 7.843 380 H ASN 57 HN ASN 57 14.631 -8.515 6.389 381 HA ASN 57 HA ASN 57 15.880 -9.577 4.905 382 1HB ASN 57 HB2 ASN 57 14.516 -10.234 2.861 383 2HB ASN 57 HB3 ASN 57 13.644 -10.409 4.371 384 1HD2 ASN 57 HD21 ASN 57 11.240 -7.934 3.784 385 2HD2 ASN 57 HD22 ASN 57 11.997 -9.006 4.914 386 H ILE 58 HN ILE 58 16.878 -6.994 4.888 387 HA ILE 58 HA ILE 58 17.794 -6.821 2.172 388 HB ILE 58 HB ILE 58 15.653 -5.176 2.968 389 1HG1 ILE 58 HG12 ILE 58 17.479 -4.810 0.580 390 2HG1 ILE 58 HG13 ILE 58 16.294 -6.096 0.697 391 1HG2 ILE 58 HG21 ILE 58 16.490 -2.944 2.877 392 2HG2 ILE 58 HG22 ILE 58 17.396 -3.809 4.142 393 3HG2 ILE 58 HG23 ILE 58 18.146 -3.511 2.555 394 1HD1 ILE 58 HD11 ILE 58 15.287 -4.235 -0.509 395 2HD1 ILE 58 HD12 ILE 58 14.503 -4.348 1.085 396 3HD1 ILE 58 HD13 ILE 58 15.734 -3.098 0.785 397 H CYS 59 HN CYS 59 19.645 -5.193 2.029 398 HA CYS 59 HA CYS 59 21.601 -5.850 3.687 399 1HB CYS 59 HB2 CYS 59 22.423 -3.355 3.218 400 2HB CYS 59 HB3 CYS 59 22.456 -4.626 2.013 401 H GLY 60 HN GLY 60 19.510 -2.890 4.083 402 1HA GLY 60 HA1 GLY 60 18.622 -2.021 5.981 403 2HA GLY 60 HA2 GLY 60 19.331 -3.322 6.917 Start of MODEL 8 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 0.631 -0.827 3 1HB LYS 1 HB2 LYS 1 1.641 1.658 1.367 4 2HB LYS 1 HB3 LYS 1 1.593 0.092 2.150 5 1HG LYS 1 HG2 LYS 1 3.864 -0.436 1.345 6 2HG LYS 1 HG3 LYS 1 3.913 1.042 0.405 7 1HD LYS 1 HD2 LYS 1 3.392 1.203 3.385 8 2HD LYS 1 HD3 LYS 1 5.030 0.948 2.816 9 1HE LYS 1 HE2 LYS 1 4.827 2.998 1.368 10 2HE LYS 1 HE3 LYS 1 3.210 3.262 1.991 11 1HZ LYS 1 HZ1 LYS 1 4.055 3.736 4.119 12 2HZ LYS 1 HZ2 LYS 1 5.499 3.033 3.847 13 H ASP 2 HN ASP 2 3.409 -0.734 -1.536 14 HA ASP 2 HA ASP 2 3.484 -3.379 -0.413 15 1HB ASP 2 HB2 ASP 2 3.223 -2.898 -3.419 16 2HB ASP 2 HB3 ASP 2 3.490 -4.456 -2.663 17 HD2 ASP 2 HD2 ASP 2 1.685 -5.571 -2.314 18 H GLY 3 HN GLY 3 5.680 -4.037 -0.295 19 1HA GLY 3 HA1 GLY 3 7.781 -3.099 -1.893 20 2HA GLY 3 HA2 GLY 3 7.551 -1.959 -0.582 21 H TYR 4 HN TYR 4 9.702 -2.610 0.211 22 HA TYR 4 HA TYR 4 9.602 -5.209 1.591 23 1HB TYR 4 HB2 TYR 4 11.911 -3.545 0.403 24 2HB TYR 4 HB3 TYR 4 12.148 -5.045 1.278 25 HD1 TYR 4 HD1 TYR 4 10.708 -3.582 -1.818 26 HD2 TYR 4 HD2 TYR 4 11.892 -7.162 0.203 27 HE1 TYR 4 HE1 TYR 4 10.467 -4.892 -3.983 28 HE2 TYR 4 HE2 TYR 4 11.648 -8.460 -1.970 29 HH TYR 4 HH TYR 4 10.556 -6.827 -4.933 30 HA PRO 5 HA PRO 5 9.732 -2.122 4.759 31 1HB PRO 5 HB2 PRO 5 8.472 -3.564 6.709 32 2HB PRO 5 HB3 PRO 5 7.614 -2.595 5.528 33 1HG PRO 5 HG2 PRO 5 7.906 -5.534 5.654 34 2HG PRO 5 HG3 PRO 5 6.733 -4.585 4.763 35 1HD PRO 5 HD2 PRO 5 9.052 -5.892 3.694 36 2HD PRO 5 HD3 PRO 5 7.944 -4.848 2.826 37 H VAL 6 HN VAL 6 11.449 -1.537 6.042 38 HA VAL 6 HA VAL 6 11.977 -3.654 7.991 39 HB VAL 6 HB VAL 6 14.314 -2.886 8.143 40 1HG1 VAL 6 HG11 VAL 6 13.576 -3.818 5.349 41 2HG1 VAL 6 HG12 VAL 6 15.128 -4.060 6.186 42 3HG1 VAL 6 HG13 VAL 6 13.659 -4.867 6.785 43 1HG2 VAL 6 HG21 VAL 6 13.664 -1.296 5.638 44 2HG2 VAL 6 HG22 VAL 6 14.048 -0.625 7.241 45 3HG2 VAL 6 HG23 VAL 6 15.286 -1.527 6.334 46 H ASP 7 HN ASP 7 11.954 -2.952 10.130 47 HA ASP 7 HA ASP 7 12.284 -0.213 10.716 48 1HB ASP 7 HB2 ASP 7 9.866 -0.425 11.976 49 2HB ASP 7 HB3 ASP 7 10.086 0.355 10.422 50 HD2 ASP 7 HD2 ASP 7 7.649 -1.741 9.212 51 H SER 8 HN SER 8 10.219 -2.867 12.129 52 HA SER 8 HA SER 8 11.593 -2.571 14.612 53 1HB SER 8 HB2 SER 8 9.937 -4.179 15.461 54 2HB SER 8 HB3 SER 8 9.141 -2.927 14.529 55 HG SER 8 HG SER 8 9.618 -5.671 13.832 56 H LYS 9 HN LYS 9 11.526 -4.779 11.822 57 HA LYS 9 HA LYS 9 13.047 -6.816 13.138 58 1HB LYS 9 HB2 LYS 9 13.145 -7.814 10.879 59 2HB LYS 9 HB3 LYS 9 11.512 -7.441 11.390 60 1HG LYS 9 HG2 LYS 9 12.734 -5.155 10.008 61 2HG LYS 9 HG3 LYS 9 12.776 -6.592 9.006 62 1HD LYS 9 HD2 LYS 9 10.220 -5.857 10.463 63 2HD LYS 9 HD3 LYS 9 10.639 -5.025 8.978 64 1HE LYS 9 HE2 LYS 9 10.577 -8.068 9.177 65 2HE LYS 9 HE3 LYS 9 9.163 -7.131 8.740 66 1HZ LYS 9 HZ1 LYS 9 10.606 -6.134 6.928 67 2HZ LYS 9 HZ2 LYS 9 11.720 -7.277 7.251 68 H GLY 10 HN GLY 10 13.695 -3.716 11.736 69 1HA GLY 10 HA1 GLY 10 15.661 -2.596 12.091 70 2HA GLY 10 HA2 GLY 10 16.479 -4.103 12.452 71 H CYS 11 HN CYS 11 16.665 -5.693 10.469 72 HA CYS 11 HA CYS 11 16.784 -4.182 7.973 73 1HB CYS 11 HB2 CYS 11 18.927 -6.071 8.969 74 2HB CYS 11 HB3 CYS 11 18.851 -5.394 7.355 75 H LYS 12 HN LYS 12 17.055 -5.963 6.081 76 HA LYS 12 HA LYS 12 14.606 -7.388 6.419 77 1HB LYS 12 HB2 LYS 12 15.556 -6.046 4.367 78 2HB LYS 12 HB3 LYS 12 16.334 -7.564 3.967 79 1HG LYS 12 HG2 LYS 12 14.354 -8.591 3.409 80 2HG LYS 12 HG3 LYS 12 13.477 -7.852 4.734 81 1HD LYS 12 HD2 LYS 12 12.630 -7.024 2.561 82 2HD LYS 12 HD3 LYS 12 13.330 -5.713 3.489 83 1HE LYS 12 HE2 LYS 12 15.398 -6.983 1.866 84 2HE LYS 12 HE3 LYS 12 14.039 -6.541 0.852 85 1HZ LYS 12 HZ1 LYS 12 14.167 -4.279 1.865 86 2HZ LYS 12 HZ2 LYS 12 15.517 -4.712 2.665 87 H LEU 13 HN LEU 13 14.357 -9.729 5.757 88 HA LEU 13 HA LEU 13 16.249 -11.071 7.492 89 1HB LEU 13 HB2 LEU 13 13.564 -11.911 6.392 90 2HB LEU 13 HB3 LEU 13 14.534 -12.853 7.506 91 HG LEU 13 HG LEU 13 12.997 -11.855 8.908 92 1HD1 LEU 13 HD11 LEU 13 14.162 -10.311 10.300 93 2HD1 LEU 13 HD12 LEU 13 15.371 -11.415 9.602 94 3HD1 LEU 13 HD13 LEU 13 15.188 -9.768 8.951 95 1HD2 LEU 13 HD21 LEU 13 12.009 -9.732 8.701 96 2HD2 LEU 13 HD22 LEU 13 13.288 -9.145 7.612 97 3HD2 LEU 13 HD23 LEU 13 12.120 -10.359 7.039 98 H SER 14 HN SER 14 15.628 -10.633 4.123 99 HA SER 14 HA SER 14 16.261 -11.641 2.308 100 1HB SER 14 HB2 SER 14 18.458 -12.869 4.033 101 2HB SER 14 HB3 SER 14 18.476 -12.772 2.283 102 HG SER 14 HG SER 14 18.829 -10.709 4.220 103 H CYS 15 HN CYS 15 14.317 -12.954 2.185 104 HA CYS 15 HA CYS 15 14.077 -15.408 3.485 105 1HB CYS 15 HB2 CYS 15 12.231 -15.834 1.954 106 2HB CYS 15 HB3 CYS 15 12.153 -14.225 2.644 107 H VAL 16 HN VAL 16 14.473 -17.579 2.700 108 HA VAL 16 HA VAL 16 15.690 -17.721 0.032 109 HB VAL 16 HB VAL 16 16.395 -19.623 2.246 110 1HG1 VAL 16 HG11 VAL 16 16.983 -20.285 -0.022 111 2HG1 VAL 16 HG12 VAL 16 17.812 -18.732 -0.289 112 3HG1 VAL 16 HG13 VAL 16 18.456 -19.893 0.897 113 1HG2 VAL 16 HG21 VAL 16 18.455 -18.226 2.628 114 2HG2 VAL 16 HG22 VAL 16 17.670 -16.925 1.700 115 3HG2 VAL 16 HG23 VAL 16 16.941 -17.500 3.219 116 H ALA 17 HN ALA 17 12.862 -17.957 1.267 117 HA ALA 17 HA ALA 17 12.091 -20.302 -0.149 118 1HB ALA 17 HB1 ALA 17 12.019 -20.311 2.895 119 2HB ALA 17 HB2 ALA 17 11.144 -21.467 1.862 120 3HB ALA 17 HB3 ALA 17 12.923 -21.425 1.840 121 H ASN 18 HN ASN 18 9.681 -20.523 -0.151 122 HA ASN 18 HA ASN 18 8.746 -17.876 -0.463 123 1HB ASN 18 HB2 ASN 18 7.329 -20.574 -0.797 124 2HB ASN 18 HB3 ASN 18 6.658 -19.040 -1.314 125 1HD2 ASN 18 HD21 ASN 18 8.770 -18.570 -4.111 126 2HD2 ASN 18 HD22 ASN 18 7.789 -17.797 -2.911 127 H ASN 19 HN ASN 19 7.902 -20.770 1.564 128 HA ASN 19 HA ASN 19 5.650 -19.653 2.714 129 1HB ASN 19 HB2 ASN 19 5.978 -21.464 4.466 130 2HB ASN 19 HB3 ASN 19 6.054 -22.065 2.821 131 1HD2 ASN 19 HD21 ASN 19 8.901 -23.248 5.096 132 2HD2 ASN 19 HD22 ASN 19 7.191 -23.094 5.324 133 H TYR 20 HN TYR 20 9.147 -19.555 3.484 134 HA TYR 20 HA TYR 20 9.007 -18.711 6.129 135 1HB TYR 20 HB2 TYR 20 11.042 -19.502 4.880 136 2HB TYR 20 HB3 TYR 20 10.921 -18.141 3.782 137 HD1 TYR 20 HD1 TYR 20 11.674 -15.919 4.438 138 HD2 TYR 20 HD2 TYR 20 11.867 -19.195 7.183 139 HE1 TYR 20 HE1 TYR 20 13.206 -14.569 5.953 140 HE2 TYR 20 HE2 TYR 20 13.398 -17.834 8.688 141 HH TYR 20 HH TYR 20 14.416 -15.960 8.994 142 H CYS 21 HN CYS 21 8.939 -16.858 3.032 143 HA CYS 21 HA CYS 21 8.985 -14.349 4.336 144 1HB CYS 21 HB2 CYS 21 9.770 -14.502 2.089 145 2HB CYS 21 HB3 CYS 21 8.262 -15.200 1.532 146 H ASP 22 HN ASP 22 6.434 -16.497 2.897 147 HA ASP 22 HA ASP 22 4.447 -14.668 2.816 148 1HB ASP 22 HB2 ASP 22 4.239 -16.880 1.801 149 2HB ASP 22 HB3 ASP 22 4.345 -17.666 3.364 150 HD2 ASP 22 HD2 ASP 22 2.699 -17.570 4.647 151 H ASN 23 HN ASN 23 5.121 -17.133 5.427 152 HA ASN 23 HA ASN 23 2.936 -16.408 6.953 153 1HB ASN 23 HB2 ASN 23 3.753 -17.982 8.516 154 2HB ASN 23 HB3 ASN 23 4.535 -18.519 7.043 155 1HD2 ASN 23 HD21 ASN 23 7.809 -17.473 7.892 156 2HD2 ASN 23 HD22 ASN 23 6.718 -17.989 6.649 157 H GLN 24 HN GLN 24 6.291 -15.212 6.720 158 HA GLN 24 HA GLN 24 6.324 -14.049 9.286 159 1HB GLN 24 HB2 GLN 24 8.387 -14.771 8.140 160 2HB GLN 24 HB3 GLN 24 8.112 -13.614 6.853 161 1HG GLN 24 HG2 GLN 24 8.474 -11.734 8.314 162 2HG GLN 24 HG3 GLN 24 8.330 -12.721 9.754 163 1HE2 GLN 24 HE21 GLN 24 11.717 -13.132 7.380 164 2HE2 GLN 24 HE22 GLN 24 10.199 -12.624 6.718 165 H CYS 25 HN CYS 25 5.295 -13.032 6.053 166 HA CYS 25 HA CYS 25 5.262 -10.256 6.707 167 1HB CYS 25 HB2 CYS 25 4.073 -11.820 4.410 168 2HB CYS 25 HB3 CYS 25 3.962 -10.078 4.565 169 H LYS 26 HN LYS 26 2.855 -12.988 6.465 170 HA LYS 26 HA LYS 26 0.732 -11.083 6.401 171 1HB LYS 26 HB2 LYS 26 -0.690 -13.021 6.054 172 2HB LYS 26 HB3 LYS 26 0.717 -13.103 5.013 173 1HG LYS 26 HG2 LYS 26 1.409 -15.051 5.957 174 2HG LYS 26 HG3 LYS 26 1.294 -14.386 7.574 175 1HD LYS 26 HD2 LYS 26 -1.181 -15.273 6.037 176 2HD LYS 26 HD3 LYS 26 -0.243 -16.402 6.994 177 1HE LYS 26 HE2 LYS 26 -0.550 -14.904 9.005 178 2HE LYS 26 HE3 LYS 26 -1.555 -13.845 8.036 179 1HZ LYS 26 HZ1 LYS 26 -2.138 -16.698 8.627 180 2HZ LYS 26 HZ2 LYS 26 -2.935 -15.415 9.236 181 H MET 27 HN MET 27 2.510 -12.732 8.876 182 HA MET 27 HA MET 27 0.415 -13.348 10.588 183 1HB MET 27 HB2 MET 27 2.213 -13.678 12.245 184 2HB MET 27 HB3 MET 27 2.791 -14.237 10.688 185 1HG MET 27 HG2 MET 27 3.840 -11.911 10.359 186 2HG MET 27 HG3 MET 27 3.436 -11.572 12.030 187 1HE MET 27 HE1 MET 27 5.821 -11.241 12.963 188 2HE MET 27 HE2 MET 27 7.212 -12.217 12.432 189 3HE MET 27 HE3 MET 27 6.299 -11.250 11.249 190 H LYS 28 HN LYS 28 2.008 -10.309 9.833 191 HA LYS 28 HA LYS 28 0.461 -8.887 11.766 192 1HB LYS 28 HB2 LYS 28 2.211 -9.786 13.236 193 2HB LYS 28 HB3 LYS 28 3.454 -9.113 12.201 194 1HG LYS 28 HG2 LYS 28 1.416 -7.118 13.004 195 2HG LYS 28 HG3 LYS 28 2.263 -7.816 14.370 196 1HD LYS 28 HD2 LYS 28 4.450 -7.235 13.351 197 2HD LYS 28 HD3 LYS 28 3.645 -6.614 11.924 198 1HE LYS 28 HE2 LYS 28 4.220 -4.731 13.376 199 2HE LYS 28 HE3 LYS 28 2.476 -4.900 13.349 200 1HZ LYS 28 HZ1 LYS 28 4.260 -5.916 15.497 201 2HZ LYS 28 HZ2 LYS 28 3.255 -4.641 15.620 202 H LYS 29 HN LYS 29 3.419 -8.833 9.649 203 HA LYS 29 HA LYS 29 3.494 -6.052 9.563 204 1HB LYS 29 HB2 LYS 29 4.700 -8.171 7.766 205 2HB LYS 29 HB3 LYS 29 5.051 -6.462 7.608 206 1HG LYS 29 HG2 LYS 29 5.346 -7.839 10.299 207 2HG LYS 29 HG3 LYS 29 6.620 -7.962 9.101 208 1HD LYS 29 HD2 LYS 29 6.927 -5.553 9.046 209 2HD LYS 29 HD3 LYS 29 5.464 -5.279 9.971 210 1HE LYS 29 HE2 LYS 29 6.508 -6.501 11.922 211 2HE LYS 29 HE3 LYS 29 7.985 -6.671 10.994 212 1HZ LYS 29 HZ1 LYS 29 8.069 -4.710 12.428 213 2HZ LYS 29 HZ2 LYS 29 8.117 -4.233 10.872 214 H ALA 30 HN ALA 30 1.874 -8.480 7.448 215 HA ALA 30 HA ALA 30 0.770 -6.279 5.882 216 1HB ALA 30 HB1 ALA 30 3.050 -7.181 4.983 217 2HB ALA 30 HB2 ALA 30 2.108 -8.614 4.505 218 3HB ALA 30 HB3 ALA 30 1.688 -7.013 3.849 219 H SER 31 HN SER 31 -0.717 -7.438 4.054 220 HA SER 31 HA SER 31 -2.348 -9.325 5.444 221 1HB SER 31 HB2 SER 31 -3.761 -9.212 3.384 222 2HB SER 31 HB3 SER 31 -3.433 -7.631 4.067 223 HG SER 31 HG SER 31 -2.187 -8.850 1.760 224 H GLY 32 HN GLY 32 0.074 -9.250 2.811 225 1HA GLY 32 HA1 GLY 32 0.249 -12.163 2.924 226 2HA GLY 32 HA2 GLY 32 -0.181 -11.453 1.381 227 H GLY 33 HN GLY 33 2.022 -12.703 0.988 228 1HA GLY 33 HA1 GLY 33 3.892 -10.758 0.283 229 2HA GLY 33 HA2 GLY 33 4.439 -11.483 1.782 230 H HIS 34 HN HIS 34 5.791 -11.712 -0.779 231 HA HIS 34 HA HIS 34 5.863 -14.608 -0.819 232 1HB HIS 34 HB2 HIS 34 5.411 -12.894 -3.270 233 2HB HIS 34 HB3 HIS 34 6.056 -14.521 -3.359 234 HD1 HIS 34 HD1 HIS 34 4.431 -16.505 -2.850 235 HD2 HIS 34 HD2 HIS 34 2.656 -12.710 -2.627 236 HE1 HIS 34 HE1 HIS 34 1.911 -16.897 -2.787 237 H CYS 35 HN CYS 35 7.929 -15.414 -1.831 238 HA CYS 35 HA CYS 35 10.000 -13.646 -0.881 239 1HB CYS 35 HB2 CYS 35 9.945 -15.964 -0.116 240 2HB CYS 35 HB3 CYS 35 10.087 -16.538 -1.766 241 H TYR 36 HN TYR 36 10.309 -12.060 -2.517 242 HA TYR 36 HA TYR 36 10.862 -12.878 -5.210 243 1HB TYR 36 HB2 TYR 36 9.964 -10.614 -4.282 244 2HB TYR 36 HB3 TYR 36 11.560 -10.337 -3.614 245 HD1 TYR 36 HD1 TYR 36 12.983 -8.979 -4.837 246 HD2 TYR 36 HD2 TYR 36 10.038 -11.280 -6.921 247 HE1 TYR 36 HE1 TYR 36 13.716 -7.937 -7.038 248 HE2 TYR 36 HE2 TYR 36 10.781 -10.230 -9.115 249 HH TYR 36 HH TYR 36 13.415 -7.841 -9.168 250 H ALA 37 HN ALA 37 13.041 -12.323 -6.251 251 HA ALA 37 HA ALA 37 14.684 -14.265 -5.183 252 1HB ALA 37 HB1 ALA 37 15.292 -12.056 -7.191 253 2HB ALA 37 HB2 ALA 37 16.276 -13.518 -6.943 254 3HB ALA 37 HB3 ALA 37 14.612 -13.660 -7.558 255 H MET 38 HN MET 38 14.669 -10.712 -4.766 256 HA MET 38 HA MET 38 17.306 -10.660 -3.751 257 1HB MET 38 HB2 MET 38 14.980 -8.663 -3.750 258 2HB MET 38 HB3 MET 38 16.562 -8.256 -3.116 259 1HG MET 38 HG2 MET 38 16.748 -9.479 -5.792 260 2HG MET 38 HG3 MET 38 15.736 -8.049 -5.804 261 1HE MET 38 HE1 MET 38 20.168 -8.273 -4.604 262 2HE MET 38 HE2 MET 38 18.922 -9.016 -3.573 263 3HE MET 38 HE3 MET 38 19.160 -9.596 -5.239 264 H SER 39 HN SER 39 14.011 -10.868 -2.341 265 HA SER 39 HA SER 39 14.837 -11.436 0.217 266 1HB SER 39 HB2 SER 39 14.788 -8.527 -0.459 267 2HB SER 39 HB3 SER 39 13.981 -8.964 1.034 268 HG SER 39 HG SER 39 16.704 -9.670 0.332 269 H CYS 40 HN CYS 40 12.886 -10.764 1.856 270 HA CYS 40 HA CYS 40 10.612 -11.932 0.691 271 1HB CYS 40 HB2 CYS 40 11.135 -12.304 3.006 272 2HB CYS 40 HB3 CYS 40 11.056 -10.590 3.361 273 H TYR 41 HN TYR 41 9.232 -10.874 -0.697 274 HA TYR 41 HA TYR 41 8.903 -7.991 -0.385 275 1HB TYR 41 HB2 TYR 41 9.342 -9.053 -2.632 276 2HB TYR 41 HB3 TYR 41 7.983 -10.135 -2.399 277 HD1 TYR 41 HD1 TYR 41 8.372 -6.420 -1.977 278 HD2 TYR 41 HD2 TYR 41 6.303 -9.626 -3.913 279 HE1 TYR 41 HE1 TYR 41 6.836 -4.748 -3.121 280 HE2 TYR 41 HE2 TYR 41 4.775 -7.942 -5.051 281 HH TYR 41 HH TYR 41 5.302 -4.464 -4.640 282 H CYS 42 HN CYS 42 7.504 -7.578 1.308 283 HA CYS 42 HA CYS 42 5.245 -9.306 1.697 284 1HB CYS 42 HB2 CYS 42 6.145 -6.799 3.130 285 2HB CYS 42 HB3 CYS 42 4.739 -7.743 3.581 286 H GLU 43 HN GLU 43 2.975 -8.468 1.645 287 HA GLU 43 HA GLU 43 2.733 -6.352 -0.328 288 1HB GLU 43 HB2 GLU 43 1.808 -9.231 -0.649 289 2HB GLU 43 HB3 GLU 43 1.118 -7.926 -1.593 290 1HG GLU 43 HG2 GLU 43 3.443 -7.319 -2.382 291 2HG GLU 43 HG3 GLU 43 4.074 -8.697 -1.503 292 HE2 GLU 43 HE2 GLU 43 3.336 -10.814 -4.111 293 H GLY 44 HN GLY 44 0.731 -5.223 -0.254 294 1HA GLY 44 HA1 GLY 44 -1.109 -4.415 0.768 295 2HA GLY 44 HA2 GLY 44 -1.414 -6.005 1.439 296 H LEU 45 HN LEU 45 0.864 -3.197 1.811 297 HA LEU 45 HA LEU 45 1.126 -3.910 4.632 298 1HB LEU 45 HB2 LEU 45 2.739 -2.155 2.786 299 2HB LEU 45 HB3 LEU 45 2.975 -2.179 4.522 300 HG LEU 45 HG LEU 45 3.100 -4.746 2.960 301 1HD1 LEU 45 HD11 LEU 45 5.469 -4.450 2.557 302 2HD1 LEU 45 HD12 LEU 45 4.553 -3.138 1.776 303 3HD1 LEU 45 HD13 LEU 45 5.425 -2.832 3.298 304 1HD2 LEU 45 HD21 LEU 45 4.596 -5.432 4.756 305 2HD2 LEU 45 HD22 LEU 45 4.496 -3.810 5.483 306 3HD2 LEU 45 HD23 LEU 45 3.049 -4.845 5.412 307 HA PRO 46 HA PRO 46 -0.900 -0.103 5.734 308 1HB PRO 46 HB2 PRO 46 0.149 0.259 8.231 309 2HB PRO 46 HB3 PRO 46 -1.275 -0.714 7.922 310 1HG PRO 46 HG2 PRO 46 1.476 -1.600 8.543 311 2HG PRO 46 HG3 PRO 46 -0.020 -2.507 8.650 312 1HD PRO 46 HD2 PRO 46 1.971 -2.716 6.596 313 2HD PRO 46 HD3 PRO 46 0.423 -3.537 6.643 314 H GLU 47 HN GLU 47 -0.430 2.199 6.137 315 HA GLU 47 HA GLU 47 1.705 2.576 4.292 316 1HB GLU 47 HB2 GLU 47 -0.344 4.474 5.508 317 2HB GLU 47 HB3 GLU 47 0.857 4.989 4.341 318 1HG GLU 47 HG2 GLU 47 -0.005 3.295 2.709 319 2HG GLU 47 HG3 GLU 47 -1.209 2.785 3.876 320 HE2 GLU 47 HE2 GLU 47 -0.046 5.413 2.154 321 H ASN 48 HN ASN 48 1.396 2.567 7.701 322 HA ASN 48 HA ASN 48 2.957 4.819 8.284 323 1HB ASN 48 HB2 ASN 48 3.021 3.867 10.589 324 2HB ASN 48 HB3 ASN 48 1.398 3.791 9.932 325 1HD2 ASN 48 HD21 ASN 48 2.594 0.542 11.548 326 2HD2 ASN 48 HD22 ASN 48 2.684 2.207 12.017 327 H ALA 49 HN ALA 49 3.581 1.472 7.352 328 HA ALA 49 HA ALA 49 6.252 1.425 8.435 329 1HB ALA 49 HB1 ALA 49 4.710 -0.487 6.633 330 2HB ALA 49 HB2 ALA 49 6.303 -0.816 7.357 331 3HB ALA 49 HB3 ALA 49 4.878 -0.605 8.402 332 H LYS 50 HN LYS 50 7.973 2.350 7.445 333 HA LYS 50 HA LYS 50 7.788 3.186 4.717 334 1HB LYS 50 HB2 LYS 50 9.785 4.301 5.096 335 2HB LYS 50 HB3 LYS 50 9.030 4.321 6.676 336 1HG LYS 50 HG2 LYS 50 11.040 3.484 7.391 337 2HG LYS 50 HG3 LYS 50 10.393 1.949 6.846 338 1HD LYS 50 HD2 LYS 50 11.391 2.598 4.505 339 2HD LYS 50 HD3 LYS 50 12.314 3.798 5.388 340 1HE LYS 50 HE2 LYS 50 13.253 2.007 6.858 341 2HE LYS 50 HE3 LYS 50 12.316 0.802 5.997 342 1HZ LYS 50 HZ1 LYS 50 14.630 1.019 5.168 343 2HZ LYS 50 HZ2 LYS 50 13.544 1.303 3.988 344 H VAL 51 HN VAL 51 9.214 2.445 2.970 345 HA VAL 51 HA VAL 51 9.920 -0.375 3.299 346 HB VAL 51 HB VAL 51 8.704 -0.793 1.129 347 1HG1 VAL 51 HG11 VAL 51 6.486 -1.027 2.233 348 2HG1 VAL 51 HG12 VAL 51 7.831 -1.626 3.233 349 3HG1 VAL 51 HG13 VAL 51 7.090 -0.048 3.591 350 1HG2 VAL 51 HG21 VAL 51 8.457 1.590 0.473 351 2HG2 VAL 51 HG22 VAL 51 6.911 0.708 0.476 352 3HG2 VAL 51 HG23 VAL 51 7.307 1.815 1.813 353 H SER 52 HN SER 52 11.689 -1.026 1.991 354 HA SER 52 HA SER 52 12.767 0.899 0.181 355 1HB SER 52 HB2 SER 52 14.423 -0.495 1.101 356 2HB SER 52 HB3 SER 52 13.429 -1.934 0.986 357 HG SER 52 HG SER 52 15.308 -1.151 -0.729 358 H ASP 53 HN ASP 53 12.873 0.584 -2.185 359 HA ASP 53 HA ASP 53 11.286 -1.561 -3.236 360 1HB ASP 53 HB2 ASP 53 9.999 -0.004 -4.738 361 2HB ASP 53 HB3 ASP 53 9.577 0.159 -3.045 362 HD2 ASP 53 HD2 ASP 53 11.235 1.513 -5.607 363 H SER 54 HN SER 54 14.111 -1.066 -3.229 364 HA SER 54 HA SER 54 14.596 -0.659 -6.021 365 1HB SER 54 HB2 SER 54 16.463 1.036 -5.462 366 2HB SER 54 HB3 SER 54 14.814 1.629 -5.448 367 HG SER 54 HG SER 54 16.139 2.279 -3.567 368 H ALA 55 HN ALA 55 14.878 -3.066 -5.070 369 HA ALA 55 HA ALA 55 16.300 -4.742 -4.812 370 1HB ALA 55 HB1 ALA 55 18.354 -2.715 -5.786 371 2HB ALA 55 HB2 ALA 55 18.519 -4.486 -5.831 372 3HB ALA 55 HB3 ALA 55 17.285 -3.682 -6.830 373 H THR 56 HN THR 56 15.644 -3.621 -2.408 374 HA THR 56 HA THR 56 16.284 -4.192 -0.341 375 HB THR 56 HB THR 56 19.118 -4.710 -1.330 376 HG1 THR 56 HG1 THR 56 18.238 -6.697 -2.155 377 1HG2 THR 56 HG21 THR 56 17.283 -6.250 0.578 378 2HG2 THR 56 HG22 THR 56 19.011 -6.558 0.281 379 3HG2 THR 56 HG23 THR 56 18.503 -5.072 1.121 380 H ASN 57 HN ASN 57 19.202 -2.604 -1.827 381 HA ASN 57 HA ASN 57 20.617 -1.266 -0.801 382 1HB ASN 57 HB2 ASN 57 19.619 1.033 -0.358 383 2HB ASN 57 HB3 ASN 57 19.184 0.368 -1.920 384 1HD2 ASN 57 HD21 ASN 57 16.412 1.143 0.979 385 2HD2 ASN 57 HD22 ASN 57 18.114 1.150 1.299 386 H ILE 58 HN ILE 58 19.875 -3.234 1.067 387 HA ILE 58 HA ILE 58 19.689 -1.757 3.559 388 HB ILE 58 HB ILE 58 17.524 -3.395 2.402 389 1HG1 ILE 58 HG12 ILE 58 17.390 -1.383 4.648 390 2HG1 ILE 58 HG13 ILE 58 17.552 -0.878 2.977 391 1HG2 ILE 58 HG21 ILE 58 18.335 -4.926 4.126 392 2HG2 ILE 58 HG22 ILE 58 18.243 -3.625 5.337 393 3HG2 ILE 58 HG23 ILE 58 16.757 -4.230 4.567 394 1HD1 ILE 58 HD11 ILE 58 15.506 -2.232 2.400 395 2HD1 ILE 58 HD12 ILE 58 15.321 -2.615 4.128 396 3HD1 ILE 58 HD13 ILE 58 15.178 -0.931 3.570 397 H CYS 59 HN CYS 59 20.214 -3.183 5.453 398 HA CYS 59 HA CYS 59 22.680 -4.100 5.096 399 1HB CYS 59 HB2 CYS 59 20.997 -5.564 7.088 400 2HB CYS 59 HB3 CYS 59 22.630 -4.947 7.241 401 H GLY 60 HN GLY 60 19.725 -6.230 5.271 402 1HA GLY 60 HA1 GLY 60 19.202 -8.032 3.983 403 2HA GLY 60 HA2 GLY 60 20.711 -7.862 3.109 Start of MODEL 9 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 0.702 -0.767 3 1HB LYS 1 HB2 LYS 1 1.446 1.409 1.633 4 2HB LYS 1 HB3 LYS 1 1.813 -0.235 2.114 5 1HG LYS 1 HG2 LYS 1 3.917 0.835 2.250 6 2HG LYS 1 HG3 LYS 1 3.990 0.027 0.697 7 1HD LYS 1 HD2 LYS 1 3.566 2.061 -0.512 8 2HD LYS 1 HD3 LYS 1 3.008 2.897 0.924 9 1HE LYS 1 HE2 LYS 1 5.277 2.878 1.883 10 2HE LYS 1 HE3 LYS 1 5.869 1.886 0.566 11 1HZ LYS 1 HZ1 LYS 1 6.322 4.293 0.260 12 2HZ LYS 1 HZ2 LYS 1 5.438 3.691 -0.968 13 H ASP 2 HN ASP 2 2.379 -0.781 -2.292 14 HA ASP 2 HA ASP 2 3.155 -3.364 -1.271 15 1HB ASP 2 HB2 ASP 2 1.455 -3.117 -3.788 16 2HB ASP 2 HB3 ASP 2 1.951 -4.595 -2.990 17 HD2 ASP 2 HD2 ASP 2 -1.295 -2.678 -1.722 18 H GLY 3 HN GLY 3 4.865 -4.309 -2.594 19 1HA GLY 3 HA1 GLY 3 5.687 -3.905 -5.074 20 2HA GLY 3 HA2 GLY 3 6.163 -2.379 -4.356 21 H TYR 4 HN TYR 4 8.426 -2.867 -4.679 22 HA TYR 4 HA TYR 4 9.444 -5.093 -3.073 23 1HB TYR 4 HB2 TYR 4 10.985 -3.174 -4.892 24 2HB TYR 4 HB3 TYR 4 11.375 -4.845 -4.534 25 HD1 TYR 4 HD1 TYR 4 9.613 -6.630 -5.384 26 HD2 TYR 4 HD2 TYR 4 9.969 -2.655 -6.925 27 HE1 TYR 4 HE1 TYR 4 8.461 -7.352 -7.533 28 HE2 TYR 4 HE2 TYR 4 8.816 -3.390 -9.068 29 HH TYR 4 HH TYR 4 7.295 -6.487 -9.325 30 HA PRO 5 HA PRO 5 10.523 -2.020 -0.142 31 1HB PRO 5 HB2 PRO 5 11.269 -3.718 1.864 32 2HB PRO 5 HB3 PRO 5 9.611 -3.215 1.602 33 1HG PRO 5 HG2 PRO 5 10.879 -5.813 0.982 34 2HG PRO 5 HG3 PRO 5 9.175 -5.430 1.128 35 1HD PRO 5 HD2 PRO 5 10.645 -5.821 -1.304 36 2HD PRO 5 HD3 PRO 5 8.970 -5.325 -1.160 37 H VAL 6 HN VAL 6 12.336 -0.885 0.506 38 HA VAL 6 HA VAL 6 14.849 -2.176 -0.159 39 HB VAL 6 HB VAL 6 15.334 -0.072 -1.600 40 1HG1 VAL 6 HG11 VAL 6 15.294 -2.411 -2.412 41 2HG1 VAL 6 HG12 VAL 6 13.539 -2.274 -2.677 42 3HG1 VAL 6 HG13 VAL 6 14.663 -1.263 -3.617 43 1HG2 VAL 6 HG21 VAL 6 13.199 1.073 -1.058 44 2HG2 VAL 6 HG22 VAL 6 13.430 0.836 -2.807 45 3HG2 VAL 6 HG23 VAL 6 12.316 -0.220 -1.905 46 H ASP 7 HN ASP 7 15.620 -1.921 1.929 47 HA ASP 7 HA ASP 7 16.366 0.748 2.572 48 1HB ASP 7 HB2 ASP 7 15.412 0.101 5.051 49 2HB ASP 7 HB3 ASP 7 14.540 1.103 3.908 50 HD2 ASP 7 HD2 ASP 7 11.979 -1.172 3.581 51 H SER 8 HN SER 8 15.757 -2.342 4.421 52 HA SER 8 HA SER 8 18.339 -2.198 5.565 53 1HB SER 8 HB2 SER 8 17.682 -4.378 6.626 54 2HB SER 8 HB3 SER 8 16.508 -3.102 6.876 55 HG SER 8 HG SER 8 15.474 -5.092 6.259 56 H LYS 9 HN LYS 9 16.832 -3.777 2.777 57 HA LYS 9 HA LYS 9 19.053 -5.642 2.530 58 1HB LYS 9 HB2 LYS 9 17.676 -6.655 0.750 59 2HB LYS 9 HB3 LYS 9 16.845 -6.583 2.291 60 1HG LYS 9 HG2 LYS 9 16.415 -4.163 0.637 61 2HG LYS 9 HG3 LYS 9 15.853 -5.629 -0.141 62 1HD LYS 9 HD2 LYS 9 15.152 -5.149 2.765 63 2HD LYS 9 HD3 LYS 9 14.264 -4.289 1.524 64 1HE LYS 9 HE2 LYS 9 14.574 -7.326 1.692 65 2HE LYS 9 HE3 LYS 9 13.138 -6.427 2.142 66 1HZ LYS 9 HZ1 LYS 9 12.837 -7.188 -0.087 67 2HZ LYS 9 HZ2 LYS 9 13.110 -5.588 -0.220 68 H GLY 10 HN GLY 10 17.896 -2.556 1.357 69 1HA GLY 10 HA1 GLY 10 19.030 -1.034 0.118 70 2HA GLY 10 HA2 GLY 10 20.333 -2.184 -0.111 71 H CYS 11 HN CYS 11 19.824 -4.106 -1.651 72 HA CYS 11 HA CYS 11 18.501 -2.868 -3.953 73 1HB CYS 11 HB2 CYS 11 21.041 -4.427 -3.681 74 2HB CYS 11 HB3 CYS 11 20.139 -4.529 -5.180 75 H LYS 12 HN LYS 12 16.709 -4.118 -2.421 76 HA LYS 12 HA LYS 12 15.162 -5.692 -2.433 77 1HB LYS 12 HB2 LYS 12 16.273 -5.940 -5.214 78 2HB LYS 12 HB3 LYS 12 15.064 -7.083 -4.664 79 1HG LYS 12 HG2 LYS 12 13.552 -5.502 -5.323 80 2HG LYS 12 HG3 LYS 12 13.944 -4.711 -3.809 81 1HD LYS 12 HD2 LYS 12 15.596 -3.279 -4.891 82 2HD LYS 12 HD3 LYS 12 15.494 -4.190 -6.385 83 1HE LYS 12 HE2 LYS 12 13.149 -3.470 -6.712 84 2HE LYS 12 HE3 LYS 12 13.153 -2.651 -5.163 85 1HZ LYS 12 HZ1 LYS 12 14.386 -0.938 -6.005 86 2HZ LYS 12 HZ2 LYS 12 15.267 -1.868 -7.009 87 H LEU 13 HN LEU 13 14.864 -8.307 -2.824 88 HA LEU 13 HA LEU 13 17.474 -9.593 -2.872 89 1HB LEU 13 HB2 LEU 13 16.342 -11.293 -1.205 90 2HB LEU 13 HB3 LEU 13 17.284 -9.920 -0.657 91 HG LEU 13 HG LEU 13 15.100 -8.645 -0.423 92 1HD1 LEU 13 HD11 LEU 13 13.076 -10.146 -0.105 93 2HD1 LEU 13 HD12 LEU 13 13.598 -9.855 -1.782 94 3HD1 LEU 13 HD13 LEU 13 13.988 -11.397 -0.984 95 1HD2 LEU 13 HD21 LEU 13 15.606 -11.093 1.287 96 2HD2 LEU 13 HD22 LEU 13 16.256 -9.453 1.521 97 3HD2 LEU 13 HD23 LEU 13 14.514 -9.757 1.726 98 H SER 14 HN SER 14 17.392 -11.773 -3.776 99 HA SER 14 HA SER 14 15.356 -11.732 -5.800 100 1HB SER 14 HB2 SER 14 16.786 -13.475 -6.889 101 2HB SER 14 HB3 SER 14 17.664 -12.002 -6.529 102 HG SER 14 HG SER 14 17.667 -14.379 -4.869 103 H CYS 15 HN CYS 15 13.431 -12.667 -5.129 104 HA CYS 15 HA CYS 15 13.301 -14.753 -3.276 105 1HB CYS 15 HB2 CYS 15 10.959 -14.942 -3.940 106 2HB CYS 15 HB3 CYS 15 11.432 -13.282 -3.636 107 H VAL 16 HN VAL 16 13.109 -17.027 -3.585 108 HA VAL 16 HA VAL 16 14.002 -17.923 -6.217 109 HB VAL 16 HB VAL 16 13.895 -19.351 -3.552 110 1HG1 VAL 16 HG11 VAL 16 15.490 -20.934 -4.706 111 2HG1 VAL 16 HG12 VAL 16 13.814 -20.975 -5.304 112 3HG1 VAL 16 HG13 VAL 16 15.072 -20.128 -6.237 113 1HG2 VAL 16 HG21 VAL 16 16.197 -17.984 -4.985 114 2HG2 VAL 16 HG22 VAL 16 15.470 -17.520 -3.428 115 3HG2 VAL 16 HG23 VAL 16 16.372 -19.048 -3.569 116 H ALA 17 HN ALA 17 11.160 -17.572 -4.300 117 HA ALA 17 HA ALA 17 9.551 -19.232 -5.909 118 1HB ALA 17 HB1 ALA 17 9.095 -20.998 -4.210 119 2HB ALA 17 HB2 ALA 17 10.768 -21.050 -4.815 120 3HB ALA 17 HB3 ALA 17 10.422 -20.352 -3.214 121 H ASN 18 HN ASN 18 7.288 -19.415 -4.894 122 HA ASN 18 HA ASN 18 6.561 -16.842 -4.261 123 1HB ASN 18 HB2 ASN 18 5.057 -19.480 -3.852 124 2HB ASN 18 HB3 ASN 18 4.299 -17.905 -3.720 125 1HD2 ASN 18 HD21 ASN 18 3.608 -19.122 -7.115 126 2HD2 ASN 18 HD22 ASN 18 3.237 -19.545 -5.477 127 H ASN 19 HN ASN 19 6.909 -19.842 -2.249 128 HA ASN 19 HA ASN 19 5.871 -18.742 0.072 129 1HB ASN 19 HB2 ASN 19 7.099 -20.677 1.195 130 2HB ASN 19 HB3 ASN 19 6.085 -21.161 -0.150 131 1HD2 ASN 19 HD21 ASN 19 10.018 -21.977 -0.101 132 2HD2 ASN 19 HD22 ASN 19 9.100 -21.359 1.231 133 H TYR 20 HN TYR 20 9.118 -18.785 -1.440 134 HA TYR 20 HA TYR 20 10.609 -18.212 0.870 135 1HB TYR 20 HB2 TYR 20 11.294 -19.114 -1.476 136 2HB TYR 20 HB3 TYR 20 11.087 -17.484 -2.085 137 HD1 TYR 20 HD1 TYR 20 13.296 -19.771 -0.363 138 HD2 TYR 20 HD2 TYR 20 12.586 -15.637 -1.207 139 HE1 TYR 20 HE1 TYR 20 15.697 -19.222 0.267 140 HE2 TYR 20 HE2 TYR 20 14.989 -15.102 -0.574 141 HH TYR 20 HH TYR 20 17.199 -17.691 0.461 142 H CYS 21 HN CYS 21 8.982 -16.149 -1.587 143 HA CYS 21 HA CYS 21 9.973 -13.736 -0.490 144 1HB CYS 21 HB2 CYS 21 9.240 -13.733 -2.751 145 2HB CYS 21 HB3 CYS 21 7.670 -14.386 -2.327 146 H ASP 22 HN ASP 22 6.885 -15.659 -0.189 147 HA ASP 22 HA ASP 22 5.503 -13.553 0.902 148 1HB ASP 22 HB2 ASP 22 4.579 -15.698 -0.129 149 2HB ASP 22 HB3 ASP 22 4.973 -16.524 1.365 150 HD2 ASP 22 HD2 ASP 22 1.650 -15.826 2.101 151 H ASN 23 HN ASN 23 7.184 -16.397 2.401 152 HA ASN 23 HA ASN 23 6.244 -15.979 4.962 153 1HB ASN 23 HB2 ASN 23 7.714 -17.715 5.567 154 2HB ASN 23 HB3 ASN 23 7.592 -17.988 3.840 155 1HD2 ASN 23 HD21 ASN 23 10.833 -16.781 3.007 156 2HD2 ASN 23 HD22 ASN 23 9.221 -17.075 2.444 157 H GLN 24 HN GLN 24 8.875 -14.542 3.050 158 HA GLN 24 HA GLN 24 10.285 -13.600 5.339 159 1HB GLN 24 HB2 GLN 24 11.383 -14.260 3.162 160 2HB GLN 24 HB3 GLN 24 10.648 -12.864 2.401 161 1HG GLN 24 HG2 GLN 24 11.861 -11.329 3.861 162 2HG GLN 24 HG3 GLN 24 12.430 -12.646 4.868 163 1HE2 GLN 24 HE21 GLN 24 15.419 -12.643 3.112 164 2HE2 GLN 24 HE22 GLN 24 14.570 -12.349 4.593 165 H CYS 25 HN CYS 25 7.920 -12.356 2.966 166 HA CYS 25 HA CYS 25 8.245 -9.645 3.653 167 1HB CYS 25 HB2 CYS 25 5.948 -11.116 2.348 168 2HB CYS 25 HB3 CYS 25 6.028 -9.375 2.524 169 H LYS 26 HN LYS 26 6.018 -12.316 4.683 170 HA LYS 26 HA LYS 26 4.361 -10.540 6.156 171 1HB LYS 26 HB2 LYS 26 3.029 -12.415 6.583 172 2HB LYS 26 HB3 LYS 26 3.705 -12.720 4.995 173 1HG LYS 26 HG2 LYS 26 5.443 -14.186 5.974 174 2HG LYS 26 HG3 LYS 26 4.882 -13.817 7.593 175 1HD LYS 26 HD2 LYS 26 3.949 -15.971 6.938 176 2HD LYS 26 HD3 LYS 26 2.639 -14.809 7.016 177 1HE LYS 26 HE2 LYS 26 2.509 -14.615 4.628 178 2HE LYS 26 HE3 LYS 26 4.087 -15.340 4.394 179 1HZ LYS 26 HZ1 LYS 26 2.353 -16.954 3.931 180 2HZ LYS 26 HZ2 LYS 26 3.152 -17.447 5.261 181 H MET 27 HN MET 27 7.403 -12.077 6.743 182 HA MET 27 HA MET 27 7.312 -12.684 9.377 183 1HB MET 27 HB2 MET 27 9.259 -12.860 7.681 184 2HB MET 27 HB3 MET 27 9.591 -11.168 7.995 185 1HG MET 27 HG2 MET 27 9.597 -11.954 10.550 186 2HG MET 27 HG3 MET 27 9.897 -13.535 9.856 187 1HE MET 27 HE1 MET 27 11.577 -12.671 7.143 188 2HE MET 27 HE2 MET 27 13.167 -13.049 7.848 189 3HE MET 27 HE3 MET 27 11.763 -14.080 8.214 190 H LYS 28 HN LYS 28 7.439 -9.439 7.848 191 HA LYS 28 HA LYS 28 7.106 -8.081 10.311 192 1HB LYS 28 HB2 LYS 28 9.429 -8.819 10.640 193 2HB LYS 28 HB3 LYS 28 9.897 -8.077 9.123 194 1HG LYS 28 HG2 LYS 28 8.430 -6.264 10.979 195 2HG LYS 28 HG3 LYS 28 9.983 -6.813 11.579 196 1HD LYS 28 HD2 LYS 28 9.716 -5.739 8.749 197 2HD LYS 28 HD3 LYS 28 9.891 -4.641 10.104 198 1HE LYS 28 HE2 LYS 28 12.019 -5.730 10.758 199 2HE LYS 28 HE3 LYS 28 11.829 -6.923 9.489 200 1HZ LYS 28 HZ1 LYS 28 12.129 -4.001 9.038 201 2HZ LYS 28 HZ2 LYS 28 13.282 -5.120 8.769 202 H LYS 29 HN LYS 29 8.449 -7.943 6.944 203 HA LYS 29 HA LYS 29 8.280 -5.180 6.752 204 1HB LYS 29 HB2 LYS 29 8.342 -7.350 4.640 205 2HB LYS 29 HB3 LYS 29 8.443 -5.641 4.269 206 1HG LYS 29 HG2 LYS 29 10.297 -6.434 6.429 207 2HG LYS 29 HG3 LYS 29 10.593 -7.311 4.941 208 1HD LYS 29 HD2 LYS 29 11.925 -5.302 4.830 209 2HD LYS 29 HD3 LYS 29 10.598 -5.082 3.708 210 1HE LYS 29 HE2 LYS 29 9.372 -3.703 5.332 211 2HE LYS 29 HE3 LYS 29 10.554 -4.044 6.580 212 1HZ LYS 29 HZ1 LYS 29 11.013 -1.904 5.563 213 2HZ LYS 29 HZ2 LYS 29 12.233 -2.913 5.180 214 H ALA 30 HN ALA 30 5.847 -7.757 6.130 215 HA ALA 30 HA ALA 30 3.952 -5.715 5.285 216 1HB ALA 30 HB1 ALA 30 3.691 -6.531 3.109 217 2HB ALA 30 HB2 ALA 30 5.453 -6.633 3.337 218 3HB ALA 30 HB3 ALA 30 4.449 -8.094 3.495 219 H SER 31 HN SER 31 1.793 -7.049 4.606 220 HA SER 31 HA SER 31 1.315 -8.908 6.726 221 1HB SER 31 HB2 SER 31 -0.466 -7.975 4.430 222 2HB SER 31 HB3 SER 31 -1.003 -8.974 5.766 223 HG SER 31 HG SER 31 -1.461 -6.681 6.074 224 H GLY 32 HN GLY 32 1.892 -8.885 3.196 225 1HA GLY 32 HA1 GLY 32 2.410 -11.745 3.285 226 2HA GLY 32 HA2 GLY 32 1.082 -11.244 2.256 227 H GLY 33 HN GLY 33 2.731 -12.311 0.651 228 1HA GLY 33 HA1 GLY 33 3.640 -10.180 -0.973 229 2HA GLY 33 HA2 GLY 33 5.008 -10.972 -0.217 230 H HIS 34 HN HIS 34 4.706 -11.052 -3.007 231 HA HIS 34 HA HIS 34 4.577 -13.942 -3.238 232 1HB HIS 34 HB2 HIS 34 2.388 -12.963 -4.028 233 2HB HIS 34 HB3 HIS 34 3.277 -12.133 -5.289 234 HD1 HIS 34 HD1 HIS 34 4.499 -13.694 -7.110 235 HD2 HIS 34 HD2 HIS 34 1.809 -15.631 -4.540 236 HE1 HIS 34 HE1 HIS 34 3.984 -15.951 -8.183 237 H CYS 35 HN CYS 35 5.796 -14.714 -5.210 238 HA CYS 35 HA CYS 35 8.193 -13.108 -5.289 239 1HB CYS 35 HB2 CYS 35 8.397 -15.457 -4.735 240 2HB CYS 35 HB3 CYS 35 7.606 -15.922 -6.228 241 H TYR 36 HN TYR 36 7.951 -11.431 -6.813 242 HA TYR 36 HA TYR 36 7.158 -12.166 -9.509 243 1HB TYR 36 HB2 TYR 36 6.658 -9.944 -8.281 244 2HB TYR 36 HB3 TYR 36 8.381 -9.629 -8.256 245 HD1 TYR 36 HD1 TYR 36 9.285 -8.306 -9.940 246 HD2 TYR 36 HD2 TYR 36 5.665 -10.451 -10.716 247 HE1 TYR 36 HE1 TYR 36 9.109 -7.198 -12.221 248 HE2 TYR 36 HE2 TYR 36 5.501 -9.335 -12.995 249 HH TYR 36 HH TYR 36 6.367 -7.918 -14.368 250 H ALA 37 HN ALA 37 8.678 -11.568 -11.365 251 HA ALA 37 HA ALA 37 10.634 -13.499 -11.089 252 1HB ALA 37 HB1 ALA 37 11.308 -12.768 -13.369 253 2HB ALA 37 HB2 ALA 37 9.542 -12.923 -13.207 254 3HB ALA 37 HB3 ALA 37 10.300 -11.313 -13.183 255 H MET 38 HN MET 38 10.767 -9.942 -10.729 256 HA MET 38 HA MET 38 13.600 -9.916 -10.974 257 1HB MET 38 HB2 MET 38 11.547 -7.806 -10.108 258 2HB MET 38 HB3 MET 38 13.244 -7.452 -10.360 259 1HG MET 38 HG2 MET 38 11.430 -8.647 -12.510 260 2HG MET 38 HG3 MET 38 11.753 -6.931 -12.357 261 1HE MET 38 HE1 MET 38 14.580 -6.292 -11.854 262 2HE MET 38 HE2 MET 38 15.309 -6.425 -13.472 263 3HE MET 38 HE3 MET 38 13.671 -5.754 -13.286 264 H SER 39 HN SER 39 11.182 -9.817 -8.312 265 HA SER 39 HA SER 39 13.160 -10.168 -6.344 266 1HB SER 39 HB2 SER 39 11.899 -7.397 -6.552 267 2HB SER 39 HB3 SER 39 12.877 -7.957 -5.210 268 HG SER 39 HG SER 39 14.534 -8.427 -7.050 269 H CYS 40 HN CYS 40 12.106 -9.985 -4.068 270 HA CYS 40 HA CYS 40 9.594 -11.200 -4.068 271 1HB CYS 40 HB2 CYS 40 11.121 -11.548 -2.257 272 2HB CYS 40 HB3 CYS 40 11.177 -9.836 -1.888 273 H TYR 41 HN TYR 41 7.756 -10.166 -4.800 274 HA TYR 41 HA TYR 41 7.439 -7.325 -4.345 275 1HB TYR 41 HB2 TYR 41 6.748 -8.558 -6.458 276 2HB TYR 41 HB3 TYR 41 5.692 -9.584 -5.507 277 HD1 TYR 41 HD1 TYR 41 6.224 -6.069 -6.615 278 HD2 TYR 41 HD2 TYR 41 3.474 -8.914 -4.988 279 HE1 TYR 41 HE1 TYR 41 4.313 -4.425 -6.950 280 HE2 TYR 41 HE2 TYR 41 1.573 -7.261 -5.328 281 HH TYR 41 HH TYR 41 0.986 -5.326 -6.076 282 H CYS 42 HN CYS 42 7.048 -6.835 -2.196 283 HA CYS 42 HA CYS 42 5.524 -8.731 -0.651 284 1HB CYS 42 HB2 CYS 42 7.005 -6.205 0.097 285 2HB CYS 42 HB3 CYS 42 6.094 -7.170 1.241 286 H GLU 43 HN GLU 43 3.664 -7.884 0.759 287 HA GLU 43 HA GLU 43 2.166 -5.945 -0.795 288 1HB GLU 43 HB2 GLU 43 1.436 -8.868 -0.383 289 2HB GLU 43 HB3 GLU 43 0.225 -7.663 -0.774 290 1HG GLU 43 HG2 GLU 43 1.446 -7.063 -2.849 291 2HG GLU 43 HG3 GLU 43 2.729 -8.186 -2.445 292 HE2 GLU 43 HE2 GLU 43 -0.607 -9.557 -4.102 293 H GLY 44 HN GLY 44 0.987 -4.607 0.521 294 1HA GLY 44 HA1 GLY 44 -0.294 -3.962 2.281 295 2HA GLY 44 HA2 GLY 44 -0.246 -5.591 2.925 296 H LEU 45 HN LEU 45 2.010 -2.799 2.318 297 HA LEU 45 HA LEU 45 3.387 -3.505 4.794 298 1HB LEU 45 HB2 LEU 45 4.094 -1.697 2.485 299 2HB LEU 45 HB3 LEU 45 5.016 -1.756 3.974 300 HG LEU 45 HG LEU 45 5.032 -4.379 3.394 301 1HD1 LEU 45 HD11 LEU 45 5.403 -4.642 0.938 302 2HD1 LEU 45 HD12 LEU 45 3.722 -4.273 1.391 303 3HD1 LEU 45 HD13 LEU 45 4.761 -2.997 0.713 304 1HD2 LEU 45 HD21 LEU 45 7.248 -3.973 2.279 305 2HD2 LEU 45 HD22 LEU 45 6.882 -2.231 2.335 306 3HD2 LEU 45 HD23 LEU 45 7.026 -3.160 3.847 307 HA PRO 46 HA PRO 46 2.038 0.394 6.547 308 1HB PRO 46 HB2 PRO 46 4.079 0.833 8.309 309 2HB PRO 46 HB3 PRO 46 2.651 -0.100 8.710 310 1HG PRO 46 HG2 PRO 46 5.384 -1.058 8.118 311 2HG PRO 46 HG3 PRO 46 4.075 -1.902 8.920 312 1HD PRO 46 HD2 PRO 46 4.962 -2.281 6.218 313 2HD PRO 46 HD3 PRO 46 3.581 -3.041 6.985 314 H GLU 47 HN GLU 47 2.652 2.692 6.551 315 HA GLU 47 HA GLU 47 3.601 2.936 3.920 316 1HB GLU 47 HB2 GLU 47 2.931 5.243 4.093 317 2HB GLU 47 HB3 GLU 47 1.749 4.301 4.981 318 1HG GLU 47 HG2 GLU 47 3.135 4.785 7.101 319 2HG GLU 47 HG3 GLU 47 4.050 5.931 6.142 320 HE2 GLU 47 HE2 GLU 47 0.325 6.849 7.260 321 H ASN 48 HN ASN 48 5.134 2.981 7.024 322 HA ASN 48 HA ASN 48 7.066 4.929 6.498 323 1HB ASN 48 HB2 ASN 48 8.218 3.977 8.488 324 2HB ASN 48 HB3 ASN 48 6.501 4.135 8.796 325 1HD2 ASN 48 HD21 ASN 48 8.007 0.738 9.743 326 2HD2 ASN 48 HD22 ASN 48 8.556 2.367 9.948 327 H ALA 49 HN ALA 49 6.647 1.502 5.705 328 HA ALA 49 HA ALA 49 9.436 1.122 5.046 329 1HB ALA 49 HB1 ALA 49 6.974 -0.640 4.715 330 2HB ALA 49 HB2 ALA 49 8.653 -1.148 4.417 331 3HB ALA 49 HB3 ALA 49 8.138 -0.700 6.060 332 H LYS 50 HN LYS 50 10.058 2.381 3.313 333 HA LYS 50 HA LYS 50 8.283 3.000 1.208 334 1HB LYS 50 HB2 LYS 50 10.162 4.437 1.945 335 2HB LYS 50 HB3 LYS 50 11.303 3.248 1.349 336 1HG LYS 50 HG2 LYS 50 9.195 4.114 -0.596 337 2HG LYS 50 HG3 LYS 50 10.368 5.338 -0.153 338 1HD LYS 50 HD2 LYS 50 12.229 3.794 -0.772 339 2HD LYS 50 HD3 LYS 50 11.069 2.548 -1.186 340 1HE LYS 50 HE2 LYS 50 10.060 4.162 -2.891 341 2HE LYS 50 HE3 LYS 50 11.382 5.262 -2.552 342 1HZ LYS 50 HZ1 LYS 50 12.935 3.484 -3.228 343 2HZ LYS 50 HZ2 LYS 50 11.693 2.489 -3.576 344 H VAL 51 HN VAL 51 7.944 2.050 -0.779 345 HA VAL 51 HA VAL 51 9.681 -0.227 -1.423 346 HB VAL 51 HB VAL 51 7.811 -1.483 -2.182 347 1HG1 VAL 51 HG11 VAL 51 8.339 -1.408 0.304 348 2HG1 VAL 51 HG12 VAL 51 6.935 -0.327 0.478 349 3HG1 VAL 51 HG13 VAL 51 6.712 -1.984 -0.134 350 1HG2 VAL 51 HG21 VAL 51 6.399 0.155 -3.176 351 2HG2 VAL 51 HG22 VAL 51 5.455 -0.594 -1.867 352 3HG2 VAL 51 HG23 VAL 51 6.183 1.013 -1.631 353 H SER 52 HN SER 52 10.209 -0.452 -3.658 354 HA SER 52 HA SER 52 9.358 1.725 -5.338 355 1HB SER 52 HB2 SER 52 11.665 1.085 -5.589 356 2HB SER 52 HB3 SER 52 11.261 -0.615 -5.719 357 HG SER 52 HG SER 52 10.759 1.479 -7.646 358 H ASP 53 HN ASP 53 7.922 1.477 -7.150 359 HA ASP 53 HA ASP 53 7.241 -1.293 -7.745 360 1HB ASP 53 HB2 ASP 53 5.028 -0.494 -8.556 361 2HB ASP 53 HB3 ASP 53 5.250 -0.165 -6.849 362 HD2 ASP 53 HD2 ASP 53 5.899 3.351 -7.980 363 H SER 54 HN SER 54 9.507 0.199 -8.805 364 HA SER 54 HA SER 54 8.473 1.243 -11.325 365 1HB SER 54 HB2 SER 54 10.430 2.919 -11.127 366 2HB SER 54 HB3 SER 54 9.041 3.183 -10.091 367 HG SER 54 HG SER 54 10.941 3.379 -8.834 368 H ALA 55 HN ALA 55 9.350 -1.447 -11.075 369 HA ALA 55 HA ALA 55 10.507 -2.831 -12.357 370 1HB ALA 55 HB1 ALA 55 11.162 -0.322 -13.954 371 2HB ALA 55 HB2 ALA 55 11.222 -2.000 -14.545 372 3HB ALA 55 HB3 ALA 55 9.661 -1.267 -14.102 373 H THR 56 HN THR 56 11.810 -1.925 -9.996 374 HA THR 56 HA THR 56 13.811 -2.114 -9.038 375 HB THR 56 HB THR 56 14.504 -3.588 -11.633 376 HG1 THR 56 HG1 THR 56 12.517 -4.337 -10.637 377 1HG2 THR 56 HG21 THR 56 16.451 -3.353 -10.102 378 2HG2 THR 56 HG22 THR 56 15.451 -3.899 -8.735 379 3HG2 THR 56 HG23 THR 56 15.839 -5.024 -10.058 380 H ASN 57 HN ASN 57 13.785 0.333 -9.412 381 HA ASN 57 HA ASN 57 15.647 1.186 -11.403 382 1HB ASN 57 HB2 ASN 57 15.090 3.439 -10.660 383 2HB ASN 57 HB3 ASN 57 13.596 2.525 -10.684 384 1HD2 ASN 57 HD21 ASN 57 13.061 2.451 -7.210 385 2HD2 ASN 57 HD22 ASN 57 12.573 1.952 -8.795 386 H ILE 58 HN ILE 58 15.523 0.375 -7.943 387 HA ILE 58 HA ILE 58 18.262 1.248 -7.563 388 HB ILE 58 HB ILE 58 16.404 -0.296 -5.749 389 1HG1 ILE 58 HG12 ILE 58 17.038 2.669 -5.828 390 2HG1 ILE 58 HG13 ILE 58 15.521 1.931 -6.302 391 1HG2 ILE 58 HG21 ILE 58 18.639 -0.734 -5.081 392 2HG2 ILE 58 HG22 ILE 58 19.115 0.967 -5.299 393 3HG2 ILE 58 HG23 ILE 58 18.009 0.514 -3.980 394 1HD1 ILE 58 HD11 ILE 58 15.052 2.543 -4.093 395 2HD1 ILE 58 HD12 ILE 58 15.604 0.866 -3.867 396 3HD1 ILE 58 HD13 ILE 58 16.714 2.219 -3.543 397 H CYS 59 HN CYS 59 19.903 -0.557 -6.728 398 HA CYS 59 HA CYS 59 20.366 -1.254 -9.344 399 1HB CYS 59 HB2 CYS 59 22.473 -1.927 -8.677 400 2HB CYS 59 HB3 CYS 59 22.020 -0.746 -7.464 401 H GLY 60 HN GLY 60 18.990 -3.063 -6.607 402 1HA GLY 60 HA1 GLY 60 17.885 -5.022 -6.543 403 2HA GLY 60 HA2 GLY 60 17.856 -5.023 -8.295 Start of MODEL 10 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.034 0.108 3 1HB LYS 1 HB2 LYS 1 1.387 0.100 -2.154 4 2HB LYS 1 HB3 LYS 1 1.897 1.591 -1.387 5 1HG LYS 1 HG2 LYS 1 4.084 0.682 -0.858 6 2HG LYS 1 HG3 LYS 1 3.583 -0.946 -1.271 7 1HD LYS 1 HD2 LYS 1 3.218 -0.180 -3.659 8 2HD LYS 1 HD3 LYS 1 3.845 1.395 -3.216 9 1HE LYS 1 HE2 LYS 1 5.636 0.032 -4.223 10 2HE LYS 1 HE3 LYS 1 6.013 0.361 -2.544 11 1HZ LYS 1 HZ1 LYS 1 4.835 -2.164 -3.576 12 2HZ LYS 1 HZ2 LYS 1 6.354 -1.977 -3.018 13 H ASP 2 HN ASP 2 3.388 -0.626 1.619 14 HA ASP 2 HA ASP 2 3.179 1.802 3.133 15 1HB ASP 2 HB2 ASP 2 2.730 -0.904 4.470 16 2HB ASP 2 HB3 ASP 2 2.708 0.660 5.259 17 HD2 ASP 2 HD2 ASP 2 -0.527 1.400 4.021 18 H GLY 3 HN GLY 3 5.066 2.012 4.625 19 1HA GLY 3 HA1 GLY 3 6.706 0.475 5.800 20 2HA GLY 3 HA2 GLY 3 7.159 -0.024 4.182 21 H TYR 4 HN TYR 4 9.119 0.883 3.680 22 HA TYR 4 HA TYR 4 9.613 3.581 4.743 23 1HB TYR 4 HB2 TYR 4 11.470 1.230 4.015 24 2HB TYR 4 HB3 TYR 4 12.007 2.730 4.745 25 HD1 TYR 4 HD1 TYR 4 10.079 -0.377 5.340 26 HD2 TYR 4 HD2 TYR 4 11.812 3.111 7.110 27 HE1 TYR 4 HE1 TYR 4 9.730 -1.369 7.655 28 HE2 TYR 4 HE2 TYR 4 11.457 2.107 9.418 29 HH TYR 4 HH TYR 4 9.913 -1.075 9.782 30 HA PRO 5 HA PRO 5 9.527 4.266 0.432 31 1HB PRO 5 HB2 PRO 5 9.235 6.983 0.484 32 2HB PRO 5 HB3 PRO 5 7.888 5.871 0.633 33 1HG PRO 5 HG2 PRO 5 9.198 7.486 2.734 34 2HG PRO 5 HG3 PRO 5 7.624 6.716 2.762 35 1HD PRO 5 HD2 PRO 5 10.007 5.799 4.069 36 2HD PRO 5 HD3 PRO 5 8.464 4.971 4.001 37 H VAL 6 HN VAL 6 10.906 4.689 -1.262 38 HA VAL 6 HA VAL 6 13.155 6.408 -0.584 39 HB VAL 6 HB VAL 6 14.583 4.628 -1.843 40 1HG1 VAL 6 HG11 VAL 6 15.225 3.617 0.299 41 2HG1 VAL 6 HG12 VAL 6 14.954 5.368 0.471 42 3HG1 VAL 6 HG13 VAL 6 13.722 4.216 1.041 43 1HG2 VAL 6 HG21 VAL 6 12.452 2.831 -0.639 44 2HG2 VAL 6 HG22 VAL 6 12.631 3.167 -2.378 45 3HG2 VAL 6 HG23 VAL 6 13.929 2.327 -1.495 46 H ASP 7 HN ASP 7 13.555 7.836 -2.244 47 HA ASP 7 HA ASP 7 13.728 6.743 -4.823 48 1HB ASP 7 HB2 ASP 7 12.199 8.863 -5.626 49 2HB ASP 7 HB3 ASP 7 11.586 7.229 -5.470 50 HD2 ASP 7 HD2 ASP 7 10.552 9.890 -2.643 51 H SER 8 HN SER 8 12.935 10.026 -3.430 52 HA SER 8 HA SER 8 15.078 11.207 -4.835 53 1HB SER 8 HB2 SER 8 14.413 13.265 -3.552 54 2HB SER 8 HB3 SER 8 13.080 12.510 -4.402 55 HG SER 8 HG SER 8 12.529 13.111 -2.198 56 H LYS 9 HN LYS 9 14.517 9.936 -1.547 57 HA LYS 9 HA LYS 9 16.939 11.152 -0.544 58 1HB LYS 9 HB2 LYS 9 16.268 10.243 1.589 59 2HB LYS 9 HB3 LYS 9 14.900 11.041 0.840 60 1HG LYS 9 HG2 LYS 9 14.657 8.439 -0.129 61 2HG LYS 9 HG3 LYS 9 15.287 8.171 1.484 62 1HD LYS 9 HD2 LYS 9 12.952 8.230 1.841 63 2HD LYS 9 HD3 LYS 9 13.450 9.852 2.280 64 1HE LYS 9 HE2 LYS 9 12.893 10.593 -0.094 65 2HE LYS 9 HE3 LYS 9 12.250 8.991 -0.394 66 1HZ LYS 9 HZ1 LYS 9 10.542 10.619 0.338 67 2HZ LYS 9 HZ2 LYS 9 10.616 9.335 1.337 68 H GLY 10 HN GLY 10 15.889 8.196 -2.098 69 1HA GLY 10 HA1 GLY 10 17.354 6.810 -3.186 70 2HA GLY 10 HA2 GLY 10 18.689 7.448 -2.246 71 H CYS 11 HN CYS 11 18.363 6.974 0.314 72 HA CYS 11 HA CYS 11 17.738 4.114 0.438 73 1HB CYS 11 HB2 CYS 11 20.233 5.569 1.215 74 2HB CYS 11 HB3 CYS 11 19.732 4.189 2.172 75 H LYS 12 HN LYS 12 17.674 3.455 2.937 76 HA LYS 12 HA LYS 12 15.514 4.756 4.023 77 1HB LYS 12 HB2 LYS 12 17.149 2.522 4.629 78 2HB LYS 12 HB3 LYS 12 17.079 3.490 6.088 79 1HG LYS 12 HG2 LYS 12 15.106 2.340 6.401 80 2HG LYS 12 HG3 LYS 12 14.460 3.626 5.402 81 1HD LYS 12 HD2 LYS 12 15.554 1.066 4.171 82 2HD LYS 12 HD3 LYS 12 13.898 1.170 4.735 83 1HE LYS 12 HE2 LYS 12 13.690 3.300 3.263 84 2HE LYS 12 HE3 LYS 12 15.218 2.830 2.546 85 1HZ LYS 12 HZ1 LYS 12 13.320 1.934 1.301 86 2HZ LYS 12 HZ2 LYS 12 14.208 0.709 1.903 87 H LEU 13 HN LEU 13 15.193 6.369 5.570 88 HA LEU 13 HA LEU 13 17.572 8.030 5.986 89 1HB LEU 13 HB2 LEU 13 16.162 9.906 6.024 90 2HB LEU 13 HB3 LEU 13 15.688 8.942 4.640 91 HG LEU 13 HG LEU 13 13.980 8.015 6.598 92 1HD1 LEU 13 HD11 LEU 13 14.350 10.994 7.016 93 2HD1 LEU 13 HD12 LEU 13 13.003 10.020 7.654 94 3HD1 LEU 13 HD13 LEU 13 14.668 9.701 8.197 95 1HD2 LEU 13 HD21 LEU 13 13.552 10.225 4.569 96 2HD2 LEU 13 HD22 LEU 13 13.346 8.475 4.314 97 3HD2 LEU 13 HD23 LEU 13 12.257 9.348 5.418 98 H SER 14 HN SER 14 18.308 8.451 8.030 99 HA SER 14 HA SER 14 17.140 6.768 10.025 100 1HB SER 14 HB2 SER 14 19.155 7.394 11.356 101 2HB SER 14 HB3 SER 14 19.569 6.778 9.768 102 HG SER 14 HG SER 14 19.429 9.575 10.517 103 H CYS 15 HN CYS 15 15.112 7.909 10.430 104 HA CYS 15 HA CYS 15 15.052 10.554 11.333 105 1HB CYS 15 HB2 CYS 15 12.849 9.981 12.244 106 2HB CYS 15 HB3 CYS 15 13.050 9.475 10.579 107 H VAL 16 HN VAL 16 15.062 11.386 13.514 108 HA VAL 16 HA VAL 16 15.876 9.440 15.557 109 HB VAL 16 HB VAL 16 16.865 12.275 15.510 110 1HG1 VAL 16 HG11 VAL 16 17.120 11.050 17.595 111 2HG1 VAL 16 HG12 VAL 16 17.911 9.703 16.741 112 3HG1 VAL 16 HG13 VAL 16 18.713 11.289 16.838 113 1HG2 VAL 16 HG21 VAL 16 18.072 9.905 14.052 114 2HG2 VAL 16 HG22 VAL 16 17.574 11.472 13.369 115 3HG2 VAL 16 HG23 VAL 16 18.978 11.382 14.460 116 H ALA 17 HN ALA 17 13.266 10.837 14.566 117 HA ALA 17 HA ALA 17 12.220 11.372 17.146 118 1HB ALA 17 HB1 ALA 17 12.855 13.693 15.295 119 2HB ALA 17 HB2 ALA 17 11.601 13.789 16.554 120 3HB ALA 17 HB3 ALA 17 13.297 13.494 17.008 121 H ASN 18 HN ASN 18 9.865 11.691 17.046 122 HA ASN 18 HA ASN 18 8.918 9.981 15.044 123 1HB ASN 18 HB2 ASN 18 7.356 11.695 17.049 124 2HB ASN 18 HB3 ASN 18 6.697 10.336 16.159 125 1HD2 ASN 18 HD21 ASN 18 8.295 7.790 18.021 126 2HD2 ASN 18 HD22 ASN 18 7.611 8.226 16.491 127 H ASN 19 HN ASN 19 8.544 13.500 15.829 128 HA ASN 19 HA ASN 19 6.622 14.030 13.913 129 1HB ASN 19 HB2 ASN 19 7.429 16.443 14.192 130 2HB ASN 19 HB3 ASN 19 7.027 15.635 15.694 131 1HD2 ASN 19 HD21 ASN 19 10.205 15.730 17.097 132 2HD2 ASN 19 HD22 ASN 19 8.538 15.273 17.209 133 H TYR 20 HN TYR 20 10.144 13.630 13.811 134 HA TYR 20 HA TYR 20 10.524 15.200 11.444 135 1HB TYR 20 HB2 TYR 20 12.185 14.823 13.349 136 2HB TYR 20 HB3 TYR 20 12.210 13.114 12.966 137 HD1 TYR 20 HD1 TYR 20 13.247 16.470 11.827 138 HD2 TYR 20 HD2 TYR 20 13.484 12.262 11.091 139 HE1 TYR 20 HE1 TYR 20 15.161 16.855 10.198 140 HE2 TYR 20 HE2 TYR 20 15.398 12.661 9.465 141 HH TYR 20 HH TYR 20 16.670 14.112 8.509 142 H CYS 21 HN CYS 21 9.523 11.931 12.149 143 HA CYS 21 HA CYS 21 10.109 11.100 9.443 144 1HB CYS 21 HB2 CYS 21 10.309 9.386 11.065 145 2HB CYS 21 HB3 CYS 21 8.759 9.769 11.787 146 H ASP 22 HN ASP 22 7.292 11.954 11.585 147 HA ASP 22 HA ASP 22 5.423 10.991 9.805 148 1HB ASP 22 HB2 ASP 22 5.117 11.505 12.281 149 2HB ASP 22 HB3 ASP 22 5.045 13.207 11.872 150 HD2 ASP 22 HD2 ASP 22 1.622 12.683 11.847 151 H ASN 23 HN ASN 23 6.984 14.188 10.251 152 HA ASN 23 HA ASN 23 5.156 15.692 8.823 153 1HB ASN 23 HB2 ASN 23 7.030 17.354 8.643 154 2HB ASN 23 HB3 ASN 23 6.890 16.710 10.267 155 1HD2 ASN 23 HD21 ASN 23 10.460 16.744 8.970 156 2HD2 ASN 23 HD22 ASN 23 9.176 17.906 9.010 157 H GLN 24 HN GLN 24 7.988 13.687 7.913 158 HA GLN 24 HA GLN 24 8.089 14.704 5.266 159 1HB GLN 24 HB2 GLN 24 10.130 13.894 6.325 160 2HB GLN 24 HB3 GLN 24 9.419 12.320 6.620 161 1HG GLN 24 HG2 GLN 24 9.382 11.776 4.270 162 2HG GLN 24 HG3 GLN 24 9.680 13.438 3.800 163 1HE2 GLN 24 HE21 GLN 24 12.930 12.099 3.251 164 2HE2 GLN 24 HE22 GLN 24 11.344 12.161 2.556 165 H CYS 25 HN CYS 25 6.610 11.925 6.959 166 HA CYS 25 HA CYS 25 5.953 10.439 4.696 167 1HB CYS 25 HB2 CYS 25 4.593 10.608 7.393 168 2HB CYS 25 HB3 CYS 25 4.218 9.416 6.165 169 H LYS 26 HN LYS 26 4.119 12.933 6.619 170 HA LYS 26 HA LYS 26 1.790 12.519 5.035 171 1HB LYS 26 HB2 LYS 26 0.725 13.982 6.533 172 2HB LYS 26 HB3 LYS 26 1.890 13.107 7.506 173 1HG LYS 26 HG2 LYS 26 3.486 15.002 7.354 174 2HG LYS 26 HG3 LYS 26 2.387 15.871 6.301 175 1HD LYS 26 HD2 LYS 26 2.043 16.775 8.502 176 2HD LYS 26 HD3 LYS 26 0.647 15.768 8.174 177 1HE LYS 26 HE2 LYS 26 1.565 13.935 9.516 178 2HE LYS 26 HE3 LYS 26 3.097 14.765 9.695 179 1HZ LYS 26 HZ1 LYS 26 1.950 16.509 10.950 180 2HZ LYS 26 HZ2 LYS 26 0.510 15.773 10.756 181 H MET 27 HN MET 27 4.684 14.382 4.702 182 HA MET 27 HA MET 27 3.882 16.653 3.499 183 1HB MET 27 HB2 MET 27 6.262 15.775 3.957 184 2HB MET 27 HB3 MET 27 6.127 14.819 2.494 185 1HG MET 27 HG2 MET 27 5.399 17.264 1.500 186 2HG MET 27 HG3 MET 27 6.449 17.785 2.802 187 1HE MET 27 HE1 MET 27 8.478 15.232 2.973 188 2HE MET 27 HE2 MET 27 9.792 15.954 2.014 189 3HE MET 27 HE3 MET 27 8.869 16.959 3.157 190 H LYS 28 HN LYS 28 4.020 13.338 2.036 191 HA LYS 28 HA LYS 28 2.622 14.043 -0.289 192 1HB LYS 28 HB2 LYS 28 4.751 15.448 -0.524 193 2HB LYS 28 HB3 LYS 28 5.609 13.936 -0.745 194 1HG LYS 28 HG2 LYS 28 3.123 14.389 -2.392 195 2HG LYS 28 HG3 LYS 28 4.561 15.292 -2.824 196 1HD LYS 28 HD2 LYS 28 4.981 12.374 -2.305 197 2HD LYS 28 HD3 LYS 28 4.026 12.757 -3.723 198 1HE LYS 28 HE2 LYS 28 6.365 12.642 -4.398 199 2HE LYS 28 HE3 LYS 28 5.854 14.315 -4.500 200 1HZ LYS 28 HZ1 LYS 28 8.042 13.852 -3.306 201 2HZ LYS 28 HZ2 LYS 28 7.007 14.831 -2.518 202 H LYS 29 HN LYS 29 5.301 12.086 1.144 203 HA LYS 29 HA LYS 29 5.147 9.972 -0.618 204 1HB LYS 29 HB2 LYS 29 5.973 10.064 2.296 205 2HB LYS 29 HB3 LYS 29 6.215 8.674 1.257 206 1HG LYS 29 HG2 LYS 29 7.246 11.461 0.560 207 2HG LYS 29 HG3 LYS 29 8.203 10.287 1.442 208 1HD LYS 29 HD2 LYS 29 8.797 9.281 -0.498 209 2HD LYS 29 HD3 LYS 29 7.117 8.938 -0.855 210 1HE LYS 29 HE2 LYS 29 6.833 11.103 -1.962 211 2HE LYS 29 HE3 LYS 29 8.414 11.641 -1.432 212 1HZ LYS 29 HZ1 LYS 29 8.025 9.290 -3.204 213 2HZ LYS 29 HZ2 LYS 29 8.357 10.784 -3.762 214 H ALA 30 HN ALA 30 3.208 10.680 2.342 215 HA ALA 30 HA ALA 30 1.542 8.375 1.776 216 1HB ALA 30 HB1 ALA 30 2.861 8.550 4.487 217 2HB ALA 30 HB2 ALA 30 2.103 7.150 3.689 218 3HB ALA 30 HB3 ALA 30 3.691 7.737 3.138 219 H SER 31 HN SER 31 -0.108 8.230 3.816 220 HA SER 31 HA SER 31 -1.213 10.809 4.134 221 1HB SER 31 HB2 SER 31 -1.866 8.220 5.612 222 2HB SER 31 HB3 SER 31 -2.873 9.654 5.569 223 HG SER 31 HG SER 31 -3.086 9.378 3.251 224 H GLY 32 HN GLY 32 0.891 8.627 6.027 225 1HA GLY 32 HA1 GLY 32 2.011 10.650 7.567 226 2HA GLY 32 HA2 GLY 32 0.692 9.980 8.507 227 H GLY 33 HN GLY 33 2.793 9.476 9.863 228 1HA GLY 33 HA1 GLY 33 2.962 6.737 10.068 229 2HA GLY 33 HA2 GLY 33 4.326 7.204 9.071 230 H HIS 34 HN HIS 34 5.708 6.433 10.877 231 HA HIS 34 HA HIS 34 6.144 8.469 12.851 232 1HB HIS 34 HB2 HIS 34 4.454 6.227 13.447 233 2HB HIS 34 HB3 HIS 34 5.937 6.065 14.366 234 HD1 HIS 34 HD1 HIS 34 3.905 9.218 13.532 235 HD2 HIS 34 HD2 HIS 34 5.337 7.063 16.834 236 HE1 HIS 34 HE1 HIS 34 3.274 10.574 15.599 237 H CYS 35 HN CYS 35 8.090 7.823 14.278 238 HA CYS 35 HA CYS 35 10.028 6.875 12.376 239 1HB CYS 35 HB2 CYS 35 10.443 8.948 13.575 240 2HB CYS 35 HB3 CYS 35 10.332 8.120 15.115 241 H TYR 36 HN TYR 36 9.861 4.581 12.288 242 HA TYR 36 HA TYR 36 10.071 3.018 14.667 243 1HB TYR 36 HB2 TYR 36 9.214 2.410 12.276 244 2HB TYR 36 HB3 TYR 36 10.884 2.461 11.748 245 HD1 TYR 36 HD1 TYR 36 12.183 0.518 11.824 246 HD2 TYR 36 HD2 TYR 36 8.676 0.773 14.261 247 HE1 TYR 36 HE1 TYR 36 12.463 -1.919 12.494 248 HE2 TYR 36 HE2 TYR 36 8.967 -1.664 14.922 249 HH TYR 36 HH TYR 36 11.688 -3.566 13.645 250 H ALA 37 HN ALA 37 12.033 1.529 15.041 251 HA ALA 37 HA ALA 37 13.819 3.385 16.031 252 1HB ALA 37 HB1 ALA 37 14.101 0.373 15.678 253 2HB ALA 37 HB2 ALA 37 15.106 1.380 16.747 254 3HB ALA 37 HB3 ALA 37 13.363 1.209 17.064 255 H MET 38 HN MET 38 13.911 1.389 13.055 256 HA MET 38 HA MET 38 16.698 1.840 12.723 257 1HB MET 38 HB2 MET 38 14.530 0.635 10.915 258 2HB MET 38 HB3 MET 38 16.235 0.617 10.514 259 1HG MET 38 HG2 MET 38 16.429 -0.462 12.985 260 2HG MET 38 HG3 MET 38 14.770 -0.920 12.654 261 1HE MET 38 HE1 MET 38 15.000 -3.101 9.487 262 2HE MET 38 HE2 MET 38 14.004 -2.597 10.873 263 3HE MET 38 HE3 MET 38 14.521 -1.396 9.666 264 H SER 39 HN SER 39 13.651 3.263 11.510 265 HA SER 39 HA SER 39 14.880 5.380 10.219 266 1HB SER 39 HB2 SER 39 14.529 2.886 8.598 267 2HB SER 39 HB3 SER 39 14.035 4.380 7.828 268 HG SER 39 HG SER 39 16.625 3.958 9.059 269 H CYS 40 HN CYS 40 13.166 6.401 8.542 270 HA CYS 40 HA CYS 40 10.842 6.694 10.100 271 1HB CYS 40 HB2 CYS 40 11.686 8.580 8.927 272 2HB CYS 40 HB3 CYS 40 11.655 7.740 7.390 273 H TYR 41 HN TYR 41 9.171 5.221 10.145 274 HA TYR 41 HA TYR 41 8.602 3.707 7.714 275 1HB TYR 41 HB2 TYR 41 8.713 2.538 9.915 276 2HB TYR 41 HB3 TYR 41 7.653 3.729 10.642 277 HD1 TYR 41 HD1 TYR 41 7.796 0.872 8.289 278 HD2 TYR 41 HD2 TYR 41 5.262 3.563 10.443 279 HE1 TYR 41 HE1 TYR 41 5.782 -0.583 7.751 280 HE2 TYR 41 HE2 TYR 41 3.256 2.099 9.898 281 HH TYR 41 HH TYR 41 2.546 0.313 8.926 282 H CYS 42 HN CYS 42 7.115 4.439 6.287 283 HA CYS 42 HA CYS 42 5.126 6.318 7.326 284 1HB CYS 42 HB2 CYS 42 6.157 5.956 4.505 285 2HB CYS 42 HB3 CYS 42 4.874 7.053 4.974 286 H GLU 43 HN GLU 43 2.888 6.060 6.408 287 HA GLU 43 HA GLU 43 2.389 3.331 5.560 288 1HB GLU 43 HB2 GLU 43 2.195 3.836 8.180 289 2HB GLU 43 HB3 GLU 43 0.639 4.499 7.721 290 1HG GLU 43 HG2 GLU 43 0.021 2.352 6.627 291 2HG GLU 43 HG3 GLU 43 1.595 1.684 7.013 292 HE2 GLU 43 HE2 GLU 43 0.592 0.785 10.183 293 H GLY 44 HN GLY 44 0.707 3.155 4.078 294 1HA GLY 44 HA1 GLY 44 -1.208 3.755 2.978 295 2HA GLY 44 HA2 GLY 44 -1.288 5.250 3.889 296 H LEU 45 HN LEU 45 0.829 3.609 1.428 297 HA LEU 45 HA LEU 45 1.279 6.256 0.250 298 1HB LEU 45 HB2 LEU 45 2.858 3.689 0.136 299 2HB LEU 45 HB3 LEU 45 3.171 5.052 -0.920 300 HG LEU 45 HG LEU 45 3.244 6.304 1.487 301 1HD1 LEU 45 HD11 LEU 45 2.870 4.231 2.739 302 2HD1 LEU 45 HD12 LEU 45 4.331 3.524 2.009 303 3HD1 LEU 45 HD13 LEU 45 4.468 4.932 3.088 304 1HD2 LEU 45 HD21 LEU 45 5.697 6.190 1.305 305 2HD2 LEU 45 HD22 LEU 45 5.537 4.882 0.108 306 3HD2 LEU 45 HD23 LEU 45 4.915 6.508 -0.262 307 HA PRO 46 HA PRO 46 -0.571 4.684 -3.487 308 1HB PRO 46 HB2 PRO 46 0.616 6.337 -5.311 309 2HB PRO 46 HB3 PRO 46 -0.854 6.755 -4.453 310 1HG PRO 46 HG2 PRO 46 1.893 7.753 -4.016 311 2HG PRO 46 HG3 PRO 46 0.375 8.447 -3.482 312 1HD PRO 46 HD2 PRO 46 2.250 6.980 -1.881 313 2HD PRO 46 HD3 PRO 46 0.680 7.573 -1.377 314 H GLU 47 HN GLU 47 0.056 3.616 -5.581 315 HA GLU 47 HA GLU 47 1.922 1.766 -4.520 316 1HB GLU 47 HB2 GLU 47 0.248 1.803 -7.064 317 2HB GLU 47 HB3 GLU 47 1.304 0.468 -6.646 318 1HG GLU 47 HG2 GLU 47 0.079 0.191 -4.473 319 2HG GLU 47 HG3 GLU 47 -0.988 1.510 -4.913 320 HE2 GLU 47 HE2 GLU 47 -2.089 1.270 -6.787 321 H ASN 48 HN ASN 48 2.178 4.549 -6.484 322 HA ASN 48 HA ASN 48 4.075 3.575 -8.320 323 1HB ASN 48 HB2 ASN 48 4.380 5.981 -8.893 324 2HB ASN 48 HB3 ASN 48 2.676 5.590 -8.770 325 1HD2 ASN 48 HD21 ASN 48 3.777 8.749 -6.878 326 2HD2 ASN 48 HD22 ASN 48 4.190 8.114 -8.435 327 H ALA 49 HN ALA 49 4.094 4.697 -4.993 328 HA ALA 49 HA ALA 49 6.815 5.634 -5.044 329 1HB ALA 49 HB1 ALA 49 6.406 6.045 -2.648 330 2HB ALA 49 HB2 ALA 49 5.080 6.697 -3.639 331 3HB ALA 49 HB3 ALA 49 4.861 5.169 -2.754 332 H LYS 50 HN LYS 50 8.628 4.458 -4.579 333 HA LYS 50 HA LYS 50 8.226 1.623 -4.185 334 1HB LYS 50 HB2 LYS 50 10.166 3.299 -5.471 335 2HB LYS 50 HB3 LYS 50 10.988 2.327 -4.267 336 1HG LYS 50 HG2 LYS 50 9.008 1.137 -6.259 337 2HG LYS 50 HG3 LYS 50 10.723 1.266 -6.599 338 1HD LYS 50 HD2 LYS 50 9.566 -0.176 -4.166 339 2HD LYS 50 HD3 LYS 50 10.027 -0.979 -5.654 340 1HE LYS 50 HE2 LYS 50 12.068 -1.213 -4.641 341 2HE LYS 50 HE3 LYS 50 12.323 0.446 -5.144 342 1HZ LYS 50 HZ1 LYS 50 11.290 -0.418 -2.496 343 2HZ LYS 50 HZ2 LYS 50 12.743 0.257 -2.788 344 H VAL 51 HN VAL 51 8.515 0.526 -2.297 345 HA VAL 51 HA VAL 51 9.783 2.013 -0.108 346 HB VAL 51 HB VAL 51 8.107 1.354 1.405 347 1HG1 VAL 51 HG11 VAL 51 7.546 3.270 -0.101 348 2HG1 VAL 51 HG12 VAL 51 6.621 2.142 -1.121 349 3HG1 VAL 51 HG13 VAL 51 6.122 2.434 0.562 350 1HG2 VAL 51 HG21 VAL 51 7.624 -0.885 0.885 351 2HG2 VAL 51 HG22 VAL 51 6.100 -0.025 0.559 352 3HG2 VAL 51 HG23 VAL 51 7.163 -0.495 -0.789 353 H SER 52 HN SER 52 10.902 0.590 1.492 354 HA SER 52 HA SER 52 10.903 -2.202 0.751 355 1HB SER 52 HB2 SER 52 13.026 -1.466 1.552 356 2HB SER 52 HB3 SER 52 12.318 -0.572 2.882 357 HG SER 52 HG SER 52 12.954 -3.305 2.687 358 H ASP 53 HN ASP 53 9.912 -3.852 2.083 359 HA ASP 53 HA ASP 53 8.605 -2.861 4.473 360 1HB ASP 53 HB2 ASP 53 6.633 -4.319 4.011 361 2HB ASP 53 HB3 ASP 53 6.812 -3.053 2.813 362 HD2 ASP 53 HD2 ASP 53 6.140 -6.268 1.163 363 H SER 54 HN SER 54 11.160 -4.258 4.010 364 HA SER 54 HA SER 54 10.619 -6.699 5.424 365 1HB SER 54 HB2 SER 54 12.115 -7.983 3.769 366 2HB SER 54 HB3 SER 54 10.482 -7.627 3.241 367 HG SER 54 HG SER 54 12.156 -7.158 1.621 368 H ALA 55 HN ALA 55 11.740 -4.593 6.636 369 HA ALA 55 HA ALA 55 13.507 -3.954 7.804 370 1HB ALA 55 HB1 ALA 55 14.640 -6.676 7.043 371 2HB ALA 55 HB2 ALA 55 15.127 -5.672 8.430 372 3HB ALA 55 HB3 ALA 55 13.496 -6.384 8.375 373 H THR 56 HN THR 56 13.457 -2.753 5.349 374 HA THR 56 HA THR 56 14.869 -1.196 4.583 375 HB THR 56 HB THR 56 17.170 -2.708 5.907 376 HG1 THR 56 HG1 THR 56 16.446 -1.552 7.813 377 1HG2 THR 56 HG21 THR 56 18.256 -0.625 5.966 378 2HG2 THR 56 HG22 THR 56 17.354 -0.456 4.442 379 3HG2 THR 56 HG23 THR 56 16.726 0.283 5.934 380 H ASN 57 HN ASN 57 16.942 -4.172 4.516 381 HA ASN 57 HA ASN 57 18.212 -4.873 2.865 382 1HB ASN 57 HB2 ASN 57 16.871 -5.763 0.907 383 2HB ASN 57 HB3 ASN 57 16.176 -6.180 2.461 384 1HD2 ASN 57 HD21 ASN 57 14.240 -3.797 -0.238 385 2HD2 ASN 57 HD22 ASN 57 15.912 -4.218 -0.402 386 H ILE 58 HN ILE 58 18.185 -1.965 2.986 387 HA ILE 58 HA ILE 58 18.953 -1.436 0.251 388 HB ILE 58 HB ILE 58 16.648 -0.101 1.612 389 1HG1 ILE 58 HG12 ILE 58 17.215 -1.188 -1.151 390 2HG1 ILE 58 HG13 ILE 58 16.040 -1.757 0.019 391 1HG2 ILE 58 HG21 ILE 58 16.847 1.837 0.155 392 2HG2 ILE 58 HG22 ILE 58 18.277 1.694 1.205 393 3HG2 ILE 58 HG23 ILE 58 18.377 1.210 -0.505 394 1HD1 ILE 58 HD11 ILE 58 15.974 0.812 -1.603 395 2HD1 ILE 58 HD12 ILE 58 14.763 -0.490 -1.543 396 3HD1 ILE 58 HD13 ILE 58 14.965 0.602 -0.152 397 H CYS 59 HN CYS 59 20.728 -0.026 0.160 398 HA CYS 59 HA CYS 59 22.734 0.249 1.060 399 1HB CYS 59 HB2 CYS 59 21.019 2.187 2.599 400 2HB CYS 59 HB3 CYS 59 22.752 2.109 2.849 401 H GLY 60 HN GLY 60 21.841 -2.159 1.954 402 1HA GLY 60 HA1 GLY 60 21.985 -3.680 3.611 403 2HA GLY 60 HA2 GLY 60 22.823 -2.498 4.597 Start of MODEL 11 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -0.936 0.453 3 1HB LYS 1 HB2 LYS 1 3.048 -0.237 -1.433 4 2HB LYS 1 HB3 LYS 1 1.477 -0.737 -2.027 5 1HG LYS 1 HG2 LYS 1 0.781 1.753 -1.874 6 2HG LYS 1 HG3 LYS 1 2.477 2.113 -1.618 7 1HD LYS 1 HD2 LYS 1 1.396 0.574 -4.026 8 2HD LYS 1 HD3 LYS 1 1.752 2.290 -4.035 9 1HE LYS 1 HE2 LYS 1 3.874 1.739 -4.635 10 2HE LYS 1 HE3 LYS 1 4.103 1.166 -2.994 11 1HZ LYS 1 HZ1 LYS 1 4.598 -0.554 -4.676 12 2HZ LYS 1 HZ2 LYS 1 3.391 -1.038 -3.696 13 H ASP 2 HN ASP 2 3.862 0.375 0.883 14 HA ASP 2 HA ASP 2 3.196 2.944 2.025 15 1HB ASP 2 HB2 ASP 2 4.671 0.844 3.661 16 2HB ASP 2 HB3 ASP 2 4.031 2.377 4.219 17 HD2 ASP 2 HD2 ASP 2 0.697 1.034 4.238 18 H GLY 3 HN GLY 3 5.209 4.214 2.504 19 1HA GLY 3 HA1 GLY 3 7.750 3.600 2.640 20 2HA GLY 3 HA2 GLY 3 7.504 3.298 0.932 21 H TYR 4 HN TYR 4 9.095 5.080 0.601 22 HA TYR 4 HA TYR 4 8.009 7.737 1.116 23 1HB TYR 4 HB2 TYR 4 10.575 6.999 -0.368 24 2HB TYR 4 HB3 TYR 4 10.296 8.390 0.660 25 HD1 TYR 4 HD1 TYR 4 9.952 7.914 3.208 26 HD2 TYR 4 HD2 TYR 4 11.701 5.125 0.475 27 HE1 TYR 4 HE1 TYR 4 11.051 6.691 5.148 28 HE2 TYR 4 HE2 TYR 4 12.794 3.912 2.424 29 HH TYR 4 HH TYR 4 11.932 4.596 5.684 30 HA PRO 5 HA PRO 5 6.451 7.667 -2.952 31 1HB PRO 5 HB2 PRO 5 5.128 10.057 -2.875 32 2HB PRO 5 HB3 PRO 5 4.439 8.561 -2.278 33 1HG PRO 5 HG2 PRO 5 5.534 10.839 -0.745 34 2HG PRO 5 HG3 PRO 5 4.476 9.554 -0.196 35 1HD PRO 5 HD2 PRO 5 7.290 9.791 0.304 36 2HD PRO 5 HD3 PRO 5 6.255 8.450 0.751 37 H VAL 6 HN VAL 6 7.205 8.146 -4.948 38 HA VAL 6 HA VAL 6 8.899 10.518 -5.068 39 HB VAL 6 HB VAL 6 10.565 8.962 -6.310 40 1HG1 VAL 6 HG11 VAL 6 11.785 8.553 -4.209 41 2HG1 VAL 6 HG12 VAL 6 11.083 10.188 -4.256 42 3HG1 VAL 6 HG13 VAL 6 10.308 8.914 -3.283 43 1HG2 VAL 6 HG21 VAL 6 10.668 6.678 -5.558 44 2HG2 VAL 6 HG22 VAL 6 9.292 6.924 -4.456 45 3HG2 VAL 6 HG23 VAL 6 9.041 6.972 -6.217 46 H ASP 7 HN ASP 7 7.210 11.420 -6.379 47 HA ASP 7 HA ASP 7 7.422 10.577 -9.088 48 1HB ASP 7 HB2 ASP 7 4.694 10.707 -9.034 49 2HB ASP 7 HB3 ASP 7 5.592 9.204 -8.962 50 HD2 ASP 7 HD2 ASP 7 4.256 10.499 -5.405 51 H SER 8 HN SER 8 5.040 12.321 -6.930 52 HA SER 8 HA SER 8 4.633 14.324 -8.822 53 1HB SER 8 HB2 SER 8 3.300 15.418 -7.064 54 2HB SER 8 HB3 SER 8 2.960 13.699 -7.110 55 HG SER 8 HG SER 8 3.439 14.872 -4.940 56 H LYS 9 HN LYS 9 6.689 14.050 -5.878 57 HA LYS 9 HA LYS 9 7.688 16.746 -6.311 58 1HB LYS 9 HB2 LYS 9 8.721 16.530 -4.167 59 2HB LYS 9 HB3 LYS 9 7.073 15.950 -4.030 60 1HG LYS 9 HG2 LYS 9 8.337 13.607 -4.688 61 2HG LYS 9 HG3 LYS 9 9.644 14.427 -3.858 62 1HD LYS 9 HD2 LYS 9 8.631 13.462 -2.016 63 2HD LYS 9 HD3 LYS 9 7.708 14.951 -2.062 64 1HE LYS 9 HE2 LYS 9 6.763 12.528 -3.630 65 2HE LYS 9 HE3 LYS 9 6.431 12.647 -1.914 66 1HZ LYS 9 HZ1 LYS 9 5.533 14.977 -2.525 67 2HZ LYS 9 HZ2 LYS 9 5.485 14.435 -4.060 68 H GLY 10 HN GLY 10 8.386 13.424 -7.098 69 1HA GLY 10 HA1 GLY 10 10.022 12.782 -8.614 70 2HA GLY 10 HA2 GLY 10 10.933 14.241 -8.280 71 H CYS 11 HN CYS 11 11.648 14.416 -5.789 72 HA CYS 11 HA CYS 11 12.740 11.794 -5.104 73 1HB CYS 11 HB2 CYS 11 14.276 14.312 -5.707 74 2HB CYS 11 HB3 CYS 11 14.933 13.073 -4.656 75 H LYS 12 HN LYS 12 10.847 12.208 -3.416 76 HA LYS 12 HA LYS 12 10.933 11.758 -1.246 77 1HB LYS 12 HB2 LYS 12 13.781 12.778 -1.421 78 2HB LYS 12 HB3 LYS 12 13.069 12.125 0.041 79 1HG LYS 12 HG2 LYS 12 13.112 10.592 -2.596 80 2HG LYS 12 HG3 LYS 12 14.392 10.462 -1.406 81 1HD LYS 12 HD2 LYS 12 12.210 10.052 0.205 82 2HD LYS 12 HD3 LYS 12 11.590 9.416 -1.305 83 1HE LYS 12 HE2 LYS 12 14.254 8.581 -0.063 84 2HE LYS 12 HE3 LYS 12 12.760 7.687 0.127 85 1HZ LYS 12 HZ1 LYS 12 12.690 7.538 -2.362 86 2HZ LYS 12 HZ2 LYS 12 14.178 8.196 -2.430 87 H LEU 13 HN LEU 13 10.634 12.935 0.874 88 HA LEU 13 HA LEU 13 11.617 15.662 0.817 89 1HB LEU 13 HB2 LEU 13 9.631 16.645 1.672 90 2HB LEU 13 HB3 LEU 13 9.253 15.830 0.168 91 HG LEU 13 HG LEU 13 8.807 14.260 2.653 92 1HD1 LEU 13 HD11 LEU 13 8.027 16.447 3.381 93 2HD1 LEU 13 HD12 LEU 13 7.035 16.605 1.911 94 3HD1 LEU 13 HD13 LEU 13 6.652 15.348 3.112 95 1HD2 LEU 13 HD21 LEU 13 7.133 14.678 0.161 96 2HD2 LEU 13 HD22 LEU 13 8.313 13.369 0.410 97 3HD2 LEU 13 HD23 LEU 13 6.863 13.466 1.437 98 H SER 14 HN SER 14 12.160 16.457 2.950 99 HA SER 14 HA SER 14 13.003 14.189 4.488 100 1HB SER 14 HB2 SER 14 14.631 15.946 3.894 101 2HB SER 14 HB3 SER 14 13.661 17.159 4.706 102 HG SER 14 HG SER 14 14.892 14.866 5.982 103 H CYS 15 HN CYS 15 10.426 16.482 4.493 104 HA CYS 15 HA CYS 15 8.919 17.105 5.968 105 1HB CYS 15 HB2 CYS 15 8.204 15.633 7.478 106 2HB CYS 15 HB3 CYS 15 9.436 14.583 6.807 107 H VAL 16 HN VAL 16 8.817 18.863 7.453 108 HA VAL 16 HA VAL 16 11.446 19.831 8.272 109 HB VAL 16 HB VAL 16 9.746 21.120 6.829 110 1HG1 VAL 16 HG11 VAL 16 7.816 20.621 8.374 111 2HG1 VAL 16 HG12 VAL 16 8.546 21.748 9.543 112 3HG1 VAL 16 HG13 VAL 16 8.016 22.338 7.949 113 1HG2 VAL 16 HG21 VAL 16 10.969 22.394 9.300 114 2HG2 VAL 16 HG22 VAL 16 11.777 22.121 7.737 115 3HG2 VAL 16 HG23 VAL 16 10.420 23.268 7.850 116 H ALA 17 HN ALA 17 8.753 18.122 9.485 117 HA ALA 17 HA ALA 17 9.671 18.428 12.173 118 1HB ALA 17 HB1 ALA 17 8.333 20.472 12.000 119 2HB ALA 17 HB2 ALA 17 6.952 19.542 11.372 120 3HB ALA 17 HB3 ALA 17 7.505 19.294 13.046 121 H ASN 18 HN ASN 18 8.389 16.943 13.655 122 HA ASN 18 HA ASN 18 8.538 14.503 12.432 123 1HB ASN 18 HB2 ASN 18 7.127 15.320 15.025 124 2HB ASN 18 HB3 ASN 18 7.433 13.653 14.580 125 1HD2 ASN 18 HD21 ASN 18 10.325 16.050 16.163 126 2HD2 ASN 18 HD22 ASN 18 8.681 16.531 15.905 127 H ASN 19 HN ASN 19 5.762 16.676 13.150 128 HA ASN 19 HA ASN 19 3.819 14.689 12.697 129 1HB ASN 19 HB2 ASN 19 2.223 16.654 12.761 130 2HB ASN 19 HB3 ASN 19 3.308 16.612 14.137 131 1HD2 ASN 19 HD21 ASN 19 3.220 19.744 11.571 132 2HD2 ASN 19 HD22 ASN 19 2.204 18.348 11.433 133 H TYR 20 HN TYR 20 5.718 16.897 10.694 134 HA TYR 20 HA TYR 20 3.716 17.892 9.060 135 1HB TYR 20 HB2 TYR 20 6.135 18.676 9.415 136 2HB TYR 20 HB3 TYR 20 6.688 17.279 8.513 137 HD1 TYR 20 HD1 TYR 20 5.020 20.556 8.273 138 HD2 TYR 20 HD2 TYR 20 6.501 17.190 6.087 139 HE1 TYR 20 HE1 TYR 20 4.851 21.878 6.108 140 HE2 TYR 20 HE2 TYR 20 6.328 18.524 3.929 141 HH TYR 20 HH TYR 20 5.125 21.871 3.972 142 H CYS 21 HN CYS 21 5.672 14.898 8.820 143 HA CYS 21 HA CYS 21 5.279 14.385 6.144 144 1HB CYS 21 HB2 CYS 21 6.898 13.160 7.394 145 2HB CYS 21 HB3 CYS 21 5.685 12.534 8.493 146 H ASP 22 HN ASP 22 3.228 13.726 9.048 147 HA ASP 22 HA ASP 22 1.826 11.662 7.872 148 1HB ASP 22 HB2 ASP 22 1.996 12.269 10.352 149 2HB ASP 22 HB3 ASP 22 0.830 13.544 10.060 150 HD2 ASP 22 HD2 ASP 22 -0.063 12.310 11.705 151 H ASN 23 HN ASN 23 1.038 15.176 8.388 152 HA ASN 23 HA ASN 23 -1.490 14.998 7.218 153 1HB ASN 23 HB2 ASN 23 -1.169 17.583 7.046 154 2HB ASN 23 HB3 ASN 23 -1.118 16.877 8.650 155 1HD2 ASN 23 HD21 ASN 23 2.194 18.557 6.883 156 2HD2 ASN 23 HD22 ASN 23 0.692 18.316 6.055 157 H GLN 24 HN GLN 24 1.834 15.704 6.060 158 HA GLN 24 HA GLN 24 1.110 16.781 3.601 159 1HB GLN 24 HB2 GLN 24 3.356 17.036 4.610 160 2HB GLN 24 HB3 GLN 24 3.653 15.317 4.437 161 1HG GLN 24 HG2 GLN 24 2.887 16.922 1.988 162 2HG GLN 24 HG3 GLN 24 4.526 17.037 2.596 163 1HE2 GLN 24 HE21 GLN 24 4.134 14.294 0.025 164 2HE2 GLN 24 HE22 GLN 24 3.687 15.965 0.098 165 H CYS 25 HN CYS 25 1.431 13.451 4.806 166 HA CYS 25 HA CYS 25 1.466 12.296 2.202 167 1HB CYS 25 HB2 CYS 25 1.009 11.087 4.936 168 2HB CYS 25 HB3 CYS 25 1.109 10.163 3.450 169 H LYS 26 HN LYS 26 -0.974 12.848 4.854 170 HA LYS 26 HA LYS 26 -2.713 10.934 3.660 171 1HB LYS 26 HB2 LYS 26 -4.074 11.254 5.591 172 2HB LYS 26 HB3 LYS 26 -2.404 11.259 6.119 173 1HG LYS 26 HG2 LYS 26 -2.939 13.207 7.182 174 2HG LYS 26 HG3 LYS 26 -2.789 13.945 5.600 175 1HD LYS 26 HD2 LYS 26 -5.245 13.511 5.200 176 2HD LYS 26 HD3 LYS 26 -5.371 12.863 6.823 177 1HE LYS 26 HE2 LYS 26 -4.615 15.053 7.764 178 2HE LYS 26 HE3 LYS 26 -4.467 15.703 6.143 179 1HZ LYS 26 HZ1 LYS 26 -6.863 15.319 5.838 180 2HZ LYS 26 HZ2 LYS 26 -7.000 14.719 7.345 181 H MET 27 HN MET 27 -2.150 14.349 3.307 182 HA MET 27 HA MET 27 -4.762 15.176 2.882 183 1HB MET 27 HB2 MET 27 -3.708 17.203 1.994 184 2HB MET 27 HB3 MET 27 -2.690 16.619 3.296 185 1HG MET 27 HG2 MET 27 -1.311 15.378 1.502 186 2HG MET 27 HG3 MET 27 -2.226 16.265 0.300 187 1HE MET 27 HE1 MET 27 1.076 18.254 0.177 188 2HE MET 27 HE2 MET 27 0.748 16.504 0.190 189 3HE MET 27 HE3 MET 27 -0.278 17.594 -0.772 190 H LYS 28 HN LYS 28 -2.572 13.305 0.899 191 HA LYS 28 HA LYS 28 -4.414 13.425 -1.325 192 1HB LYS 28 HB2 LYS 28 -3.089 15.335 -1.869 193 2HB LYS 28 HB3 LYS 28 -1.594 14.506 -1.487 194 1HG LYS 28 HG2 LYS 28 -1.884 14.556 -3.921 195 2HG LYS 28 HG3 LYS 28 -2.005 12.899 -3.363 196 1HD LYS 28 HD2 LYS 28 -4.405 12.887 -3.572 197 2HD LYS 28 HD3 LYS 28 -4.483 14.632 -3.710 198 1HE LYS 28 HE2 LYS 28 -4.785 13.632 -5.932 199 2HE LYS 28 HE3 LYS 28 -3.271 14.513 -5.899 200 1HZ LYS 28 HZ1 LYS 28 -3.159 12.199 -6.861 201 2HZ LYS 28 HZ2 LYS 28 -2.067 12.481 -5.687 202 H LYS 29 HN LYS 29 -1.111 12.317 -0.230 203 HA LYS 29 HA LYS 29 -1.059 10.442 -2.339 204 1HB LYS 29 HB2 LYS 29 0.731 10.983 0.035 205 2HB LYS 29 HB3 LYS 29 1.054 9.685 -1.096 206 1HG LYS 29 HG2 LYS 29 0.538 12.505 -2.103 207 2HG LYS 29 HG3 LYS 29 2.128 12.049 -1.526 208 1HD LYS 29 HD2 LYS 29 2.189 10.162 -3.163 209 2HD LYS 29 HD3 LYS 29 0.590 10.598 -3.732 210 1HE LYS 29 HE2 LYS 29 1.956 11.683 -5.305 211 2HE LYS 29 HE3 LYS 29 1.646 12.977 -4.165 212 1HZ LYS 29 HZ1 LYS 29 4.024 12.769 -4.691 213 2HZ LYS 29 HZ2 LYS 29 3.779 12.497 -3.104 214 H ALA 30 HN ALA 30 -1.849 10.223 1.195 215 HA ALA 30 HA ALA 30 -1.917 7.312 0.869 216 1HB ALA 30 HB1 ALA 30 -0.247 6.951 2.449 217 2HB ALA 30 HB2 ALA 30 0.373 8.398 1.619 218 3HB ALA 30 HB3 ALA 30 -0.452 8.557 3.189 219 H SER 31 HN SER 31 -2.484 6.432 3.323 220 HA SER 31 HA SER 31 -4.801 7.919 4.132 221 1HB SER 31 HB2 SER 31 -4.940 5.470 4.035 222 2HB SER 31 HB3 SER 31 -3.581 5.309 5.129 223 HG SER 31 HG SER 31 -6.157 6.480 5.756 224 H GLY 32 HN GLY 32 -1.474 7.167 5.217 225 1HA GLY 32 HA1 GLY 32 -1.607 9.391 7.083 226 2HA GLY 32 HA2 GLY 32 -1.342 7.815 7.803 227 H GLY 33 HN GLY 33 0.749 9.117 8.405 228 1HA GLY 33 HA1 GLY 33 2.821 7.790 7.027 229 2HA GLY 33 HA2 GLY 33 2.805 9.476 6.551 230 H HIS 34 HN HIS 34 5.011 8.437 7.941 231 HA HIS 34 HA HIS 34 4.873 10.307 10.142 232 1HB HIS 34 HB2 HIS 34 6.003 8.786 11.699 233 2HB HIS 34 HB3 HIS 34 4.402 8.222 11.263 234 HD1 HIS 34 HD1 HIS 34 8.070 7.514 10.492 235 HD2 HIS 34 HD2 HIS 34 4.310 5.683 10.167 236 HE1 HIS 34 HE1 HIS 34 8.508 5.103 9.778 237 H CYS 35 HN CYS 35 6.999 11.164 10.721 238 HA CYS 35 HA CYS 35 8.617 11.268 8.357 239 1HB CYS 35 HB2 CYS 35 8.033 13.307 9.572 240 2HB CYS 35 HB3 CYS 35 8.854 12.715 11.003 241 H TYR 36 HN TYR 36 9.490 9.063 8.336 242 HA TYR 36 HA TYR 36 11.228 8.223 10.429 243 1HB TYR 36 HB2 TYR 36 10.042 6.859 8.566 244 2HB TYR 36 HB3 TYR 36 11.135 7.598 7.412 245 HD1 TYR 36 HD1 TYR 36 13.080 6.460 6.837 246 HD2 TYR 36 HD2 TYR 36 11.246 5.641 10.614 247 HE1 TYR 36 HE1 TYR 36 14.773 4.612 7.266 248 HE2 TYR 36 HE2 TYR 36 12.945 3.796 11.031 249 HH TYR 36 HH TYR 36 15.436 3.058 8.602 250 H ALA 37 HN ALA 37 13.652 7.898 10.063 251 HA ALA 37 HA ALA 37 14.531 10.526 10.194 252 1HB ALA 37 HB1 ALA 37 15.509 8.672 11.468 253 2HB ALA 37 HB2 ALA 37 16.091 7.921 9.963 254 3HB ALA 37 HB3 ALA 37 16.764 9.479 10.498 255 H MET 38 HN MET 38 14.576 8.122 7.548 256 HA MET 38 HA MET 38 16.572 9.537 6.115 257 1HB MET 38 HB2 MET 38 14.656 7.261 5.362 258 2HB MET 38 HB3 MET 38 15.945 7.816 4.313 259 1HG MET 38 HG2 MET 38 16.423 6.824 7.163 260 2HG MET 38 HG3 MET 38 16.519 5.782 5.757 261 1HE MET 38 HE1 MET 38 17.952 6.752 3.524 262 2HE MET 38 HE2 MET 38 19.676 6.712 3.963 263 3HE MET 38 HE3 MET 38 18.594 5.399 4.486 264 H SER 39 HN SER 39 12.998 9.352 6.112 265 HA SER 39 HA SER 39 12.700 11.653 4.605 266 1HB SER 39 HB2 SER 39 12.856 9.094 3.062 267 2HB SER 39 HB3 SER 39 11.539 10.167 2.631 268 HG SER 39 HG SER 39 14.348 10.879 2.721 269 H CYS 40 HN CYS 40 10.293 11.945 3.962 270 HA CYS 40 HA CYS 40 8.647 11.135 6.046 271 1HB CYS 40 HB2 CYS 40 8.107 13.113 4.877 272 2HB CYS 40 HB3 CYS 40 8.092 12.301 3.324 273 H TYR 41 HN TYR 41 8.246 8.962 6.428 274 HA TYR 41 HA TYR 41 7.791 7.177 4.200 275 1HB TYR 41 HB2 TYR 41 9.008 6.651 6.408 276 2HB TYR 41 HB3 TYR 41 7.501 6.924 7.260 277 HD1 TYR 41 HD1 TYR 41 9.342 4.635 5.046 278 HD2 TYR 41 HD2 TYR 41 5.687 5.289 7.171 279 HE1 TYR 41 HE1 TYR 41 8.713 2.192 4.730 280 HE2 TYR 41 HE2 TYR 41 5.069 2.844 6.847 281 HH TYR 41 HH TYR 41 5.757 0.889 6.190 282 H CYS 42 HN CYS 42 5.859 7.401 3.146 283 HA CYS 42 HA CYS 42 3.554 8.207 4.688 284 1HB CYS 42 HB2 CYS 42 3.991 7.808 1.724 285 2HB CYS 42 HB3 CYS 42 2.444 8.233 2.428 286 H GLU 43 HN GLU 43 1.453 6.912 4.383 287 HA GLU 43 HA GLU 43 2.141 4.090 4.367 288 1HB GLU 43 HB2 GLU 43 2.236 5.385 6.715 289 2HB GLU 43 HB3 GLU 43 0.501 5.146 6.662 290 1HG GLU 43 HG2 GLU 43 0.862 2.686 6.303 291 2HG GLU 43 HG3 GLU 43 2.594 2.936 6.389 292 HE2 GLU 43 HE2 GLU 43 3.312 3.932 8.229 293 H GLY 44 HN GLY 44 0.636 2.974 3.203 294 1HA GLY 44 HA1 GLY 44 -1.436 2.247 2.608 295 2HA GLY 44 HA2 GLY 44 -2.171 3.503 3.583 296 H LEU 45 HN LEU 45 -0.086 3.219 0.610 297 HA LEU 45 HA LEU 45 -1.596 5.434 -0.543 298 1HB LEU 45 HB2 LEU 45 0.949 4.044 -1.387 299 2HB LEU 45 HB3 LEU 45 0.161 5.305 -2.315 300 HG LEU 45 HG LEU 45 0.380 6.640 -0.015 301 1HD1 LEU 45 HD11 LEU 45 2.614 6.107 1.008 302 2HD1 LEU 45 HD12 LEU 45 1.326 4.923 1.336 303 3HD1 LEU 45 HD13 LEU 45 2.577 4.564 0.122 304 1HD2 LEU 45 HD21 LEU 45 2.500 7.593 -0.873 305 2HD2 LEU 45 HD22 LEU 45 2.596 6.258 -2.046 306 3HD2 LEU 45 HD23 LEU 45 1.249 7.420 -2.128 307 HA PRO 46 HA PRO 46 -3.328 2.640 -3.566 308 1HB PRO 46 HB2 PRO 46 -3.850 4.427 -5.567 309 2HB PRO 46 HB3 PRO 46 -4.977 4.086 -4.269 310 1HG PRO 46 HG2 PRO 46 -3.258 6.460 -4.654 311 2HG PRO 46 HG3 PRO 46 -4.669 6.281 -3.631 312 1HD PRO 46 HD2 PRO 46 -1.927 6.280 -2.789 313 2HD PRO 46 HD3 PRO 46 -3.332 5.986 -1.784 314 H GLU 47 HN GLU 47 -2.856 1.819 -5.804 315 HA GLU 47 HA GLU 47 -0.032 1.524 -5.508 316 1HB GLU 47 HB2 GLU 47 -2.091 0.076 -7.225 317 2HB GLU 47 HB3 GLU 47 -0.391 -0.347 -7.203 318 1HG GLU 47 HG2 GLU 47 -0.520 -0.751 -4.737 319 2HG GLU 47 HG3 GLU 47 -2.219 -0.321 -4.754 320 HE2 GLU 47 HE2 GLU 47 -1.105 -3.934 -6.001 321 H ASN 48 HN ASN 48 -1.975 3.641 -7.228 322 HA ASN 48 HA ASN 48 -0.592 3.651 -9.675 323 1HB ASN 48 HB2 ASN 48 -1.695 5.872 -9.991 324 2HB ASN 48 HB3 ASN 48 -2.841 4.679 -9.413 325 1HD2 ASN 48 HD21 ASN 48 -2.921 8.017 -7.536 326 2HD2 ASN 48 HD22 ASN 48 -2.814 7.607 -9.216 327 H ALA 49 HN ALA 49 -0.062 4.913 -6.416 328 HA ALA 49 HA ALA 49 1.845 6.906 -7.286 329 1HB ALA 49 HB1 ALA 49 1.987 7.401 -4.876 330 2HB ALA 49 HB2 ALA 49 0.290 7.335 -5.408 331 3HB ALA 49 HB3 ALA 49 0.996 5.967 -4.515 332 H LYS 50 HN LYS 50 4.073 6.715 -7.207 333 HA LYS 50 HA LYS 50 4.990 3.973 -6.793 334 1HB LYS 50 HB2 LYS 50 5.286 5.280 -8.997 335 2HB LYS 50 HB3 LYS 50 6.518 6.195 -8.152 336 1HG LYS 50 HG2 LYS 50 6.623 3.182 -7.985 337 2HG LYS 50 HG3 LYS 50 7.113 3.941 -9.486 338 1HD LYS 50 HD2 LYS 50 8.777 5.327 -8.288 339 2HD LYS 50 HD3 LYS 50 8.238 4.691 -6.746 340 1HE LYS 50 HE2 LYS 50 8.802 2.331 -7.795 341 2HE LYS 50 HE3 LYS 50 9.738 3.249 -8.957 342 1HZ LYS 50 HZ1 LYS 50 10.888 4.293 -7.008 343 2HZ LYS 50 HZ2 LYS 50 10.111 3.265 -6.012 344 H VAL 51 HN VAL 51 6.365 3.419 -5.159 345 HA VAL 51 HA VAL 51 7.417 5.651 -3.565 346 HB VAL 51 HB VAL 51 6.796 4.590 -1.575 347 1HG1 VAL 51 HG11 VAL 51 4.932 5.687 -2.839 348 2HG1 VAL 51 HG12 VAL 51 4.455 4.080 -3.438 349 3HG1 VAL 51 HG13 VAL 51 4.395 4.434 -1.694 350 1HG2 VAL 51 HG21 VAL 51 5.679 2.305 -1.579 351 2HG2 VAL 51 HG22 VAL 51 6.243 2.133 -3.259 352 3HG2 VAL 51 HG23 VAL 51 7.422 2.327 -1.940 353 H SER 52 HN SER 52 9.446 5.120 -2.371 354 HA SER 52 HA SER 52 10.545 2.546 -3.188 355 1HB SER 52 HB2 SER 52 12.121 4.240 -3.771 356 2HB SER 52 HB3 SER 52 11.858 5.127 -2.283 357 HG SER 52 HG SER 52 13.291 2.658 -2.671 358 H ASP 53 HN ASP 53 11.464 1.164 -1.465 359 HA ASP 53 HA ASP 53 11.054 2.245 1.208 360 1HB ASP 53 HB2 ASP 53 10.646 -0.082 2.011 361 2HB ASP 53 HB3 ASP 53 9.422 0.446 0.872 362 HD2 ASP 53 HD2 ASP 53 10.585 -2.956 0.054 363 H SER 54 HN SER 54 13.419 2.435 -0.550 364 HA SER 54 HA SER 54 15.096 0.274 0.464 365 1HB SER 54 HB2 SER 54 16.301 0.502 -1.810 366 2HB SER 54 HB3 SER 54 14.737 -0.289 -1.810 367 HG SER 54 HG SER 54 14.905 1.279 -3.526 368 H ALA 55 HN ALA 55 14.880 2.803 1.789 369 HA ALA 55 HA ALA 55 16.329 4.105 2.840 370 1HB ALA 55 HB1 ALA 55 18.387 2.216 1.625 371 2HB ALA 55 HB2 ALA 55 18.628 3.262 3.045 372 3HB ALA 55 HB3 ALA 55 17.465 1.916 3.118 373 H THR 56 HN THR 56 15.397 5.211 0.478 374 HA THR 56 HA THR 56 15.821 6.925 -0.877 375 HB THR 56 HB THR 56 18.228 7.354 0.970 376 HG1 THR 56 HG1 THR 56 16.089 6.950 2.013 377 1HG2 THR 56 HG21 THR 56 17.812 9.730 0.558 378 2HG2 THR 56 HG22 THR 56 17.967 8.934 -1.027 379 3HG2 THR 56 HG23 THR 56 16.356 9.355 -0.396 380 H ASN 57 HN ASN 57 16.460 4.675 -2.159 381 HA ASN 57 HA ASN 57 19.014 5.057 -3.350 382 1HB ASN 57 HB2 ASN 57 18.456 3.196 -4.684 383 2HB ASN 57 HB3 ASN 57 17.452 2.903 -3.278 384 1HD2 ASN 57 HD21 ASN 57 14.355 3.772 -4.795 385 2HD2 ASN 57 HD22 ASN 57 15.227 3.481 -3.327 386 H ILE 58 HN ILE 58 15.734 6.347 -3.631 387 HA ILE 58 HA ILE 58 16.713 7.988 -5.861 388 HB ILE 58 HB ILE 58 13.920 7.341 -4.931 389 1HG1 ILE 58 HG12 ILE 58 14.990 7.009 -7.719 390 2HG1 ILE 58 HG13 ILE 58 15.373 5.813 -6.497 391 1HG2 ILE 58 HG21 ILE 58 13.169 8.828 -6.795 392 2HG2 ILE 58 HG22 ILE 58 13.907 9.684 -5.420 393 3HG2 ILE 58 HG23 ILE 58 14.838 9.435 -6.916 394 1HD1 ILE 58 HD11 ILE 58 13.331 5.156 -7.703 395 2HD1 ILE 58 HD12 ILE 58 12.932 5.534 -6.010 396 3HD1 ILE 58 HD13 ILE 58 12.566 6.710 -7.295 397 H CYS 59 HN CYS 59 15.765 11.030 -4.557 398 HA CYS 59 HA CYS 59 17.101 9.943 -6.578 399 1HB CYS 59 HB2 CYS 59 17.603 12.391 -4.943 400 2HB CYS 59 HB3 CYS 59 18.806 11.928 -6.130 401 H GLY 60 HN GLY 60 18.393 10.480 -3.226 402 1HA GLY 60 HA1 GLY 60 20.061 9.474 -2.099 403 2HA GLY 60 HA2 GLY 60 20.021 8.170 -3.269 Start of MODEL 12 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.031 -0.137 3 1HB LYS 1 HB2 LYS 1 1.399 0.586 -2.075 4 2HB LYS 1 HB3 LYS 1 1.878 1.871 -0.985 5 1HG LYS 1 HG2 LYS 1 3.959 1.353 -1.871 6 2HG LYS 1 HG3 LYS 1 3.961 0.253 -0.507 7 1HD LYS 1 HD2 LYS 1 3.016 -1.547 -2.032 8 2HD LYS 1 HD3 LYS 1 3.187 -0.440 -3.379 9 1HE LYS 1 HE2 LYS 1 5.203 -1.638 -3.507 10 2HE LYS 1 HE3 LYS 1 5.697 -0.232 -2.584 11 1HZ LYS 1 HZ1 LYS 1 6.440 -2.291 -1.523 12 2HZ LYS 1 HZ2 LYS 1 5.382 -1.536 -0.542 13 H ASP 2 HN ASP 2 3.324 -1.044 1.457 14 HA ASP 2 HA ASP 2 3.330 1.188 3.287 15 1HB ASP 2 HB2 ASP 2 3.237 -1.681 4.307 16 2HB ASP 2 HB3 ASP 2 3.134 -0.214 5.259 17 HD2 ASP 2 HD2 ASP 2 -0.272 0.276 4.338 18 H GLY 3 HN GLY 3 5.419 1.352 4.424 19 1HA GLY 3 HA1 GLY 3 7.310 -0.430 4.933 20 2HA GLY 3 HA2 GLY 3 7.568 -0.207 3.214 21 H TYR 4 HN TYR 4 9.728 0.646 3.895 22 HA TYR 4 HA TYR 4 9.602 3.322 5.060 23 1HB TYR 4 HB2 TYR 4 11.930 1.491 4.209 24 2HB TYR 4 HB3 TYR 4 12.083 2.917 5.216 25 HD1 TYR 4 HD1 TYR 4 11.157 2.902 7.550 26 HD2 TYR 4 HD2 TYR 4 11.290 -0.627 5.135 27 HE1 TYR 4 HE1 TYR 4 10.850 1.462 9.623 28 HE2 TYR 4 HE2 TYR 4 10.982 -2.055 7.216 29 HH TYR 4 HH TYR 4 10.679 -2.079 9.350 30 HA PRO 5 HA PRO 5 9.687 4.675 0.942 31 1HB PRO 5 HB2 PRO 5 9.275 7.338 1.398 32 2HB PRO 5 HB3 PRO 5 7.975 6.164 1.339 33 1HG PRO 5 HG2 PRO 5 9.168 7.491 3.696 34 2HG PRO 5 HG3 PRO 5 7.629 6.663 3.564 35 1HD PRO 5 HD2 PRO 5 10.022 5.653 4.782 36 2HD PRO 5 HD3 PRO 5 8.519 4.784 4.547 37 H VAL 6 HN VAL 6 10.979 5.668 -0.649 38 HA VAL 6 HA VAL 6 13.222 7.178 0.356 39 HB VAL 6 HB VAL 6 14.306 5.181 0.647 40 1HG1 VAL 6 HG11 VAL 6 12.726 4.123 -1.712 41 2HG1 VAL 6 HG12 VAL 6 14.080 3.236 -0.972 42 3HG1 VAL 6 HG13 VAL 6 12.635 3.620 -0.007 43 1HG2 VAL 6 HG21 VAL 6 14.826 5.559 -2.314 44 2HG2 VAL 6 HG22 VAL 6 15.435 6.677 -1.070 45 3HG2 VAL 6 HG23 VAL 6 15.947 4.972 -1.062 46 H ASP 7 HN ASP 7 13.683 8.793 -1.069 47 HA ASP 7 HA ASP 7 13.538 8.344 -3.837 48 1HB ASP 7 HB2 ASP 7 11.831 10.464 -3.930 49 2HB ASP 7 HB3 ASP 7 11.299 8.798 -4.046 50 HD2 ASP 7 HD2 ASP 7 10.585 10.769 -0.620 51 H SER 8 HN SER 8 12.743 11.272 -1.779 52 HA SER 8 HA SER 8 14.450 12.686 -3.590 53 1HB SER 8 HB2 SER 8 13.402 14.708 -2.622 54 2HB SER 8 HB3 SER 8 12.189 13.541 -3.111 55 HG SER 8 HG SER 8 12.947 14.389 -0.507 56 H LYS 9 HN LYS 9 14.140 12.059 -0.046 57 HA LYS 9 HA LYS 9 16.657 13.465 0.391 58 1HB LYS 9 HB2 LYS 9 16.091 13.291 2.767 59 2HB LYS 9 HB3 LYS 9 14.808 14.060 1.854 60 1HG LYS 9 HG2 LYS 9 14.437 11.150 1.923 61 2HG LYS 9 HG3 LYS 9 14.573 11.799 3.546 62 1HD LYS 9 HD2 LYS 9 12.743 13.076 1.474 63 2HD LYS 9 HD3 LYS 9 12.205 11.735 2.465 64 1HE LYS 9 HE2 LYS 9 12.639 13.016 4.527 65 2HE LYS 9 HE3 LYS 9 13.352 14.326 3.608 66 1HZ LYS 9 HZ1 LYS 9 10.524 13.449 3.351 67 2HZ LYS 9 HZ2 LYS 9 11.017 14.772 4.163 68 H GLY 10 HN GLY 10 15.410 10.327 -0.263 69 1HA GLY 10 HA1 GLY 10 16.742 8.543 -0.795 70 2HA GLY 10 HA2 GLY 10 18.106 9.295 0.009 71 H CYS 11 HN CYS 11 17.906 9.463 2.535 72 HA CYS 11 HA CYS 11 17.455 6.658 3.158 73 1HB CYS 11 HB2 CYS 11 19.260 8.736 4.409 74 2HB CYS 11 HB3 CYS 11 19.053 7.113 5.038 75 H LYS 12 HN LYS 12 15.016 7.394 3.380 76 HA LYS 12 HA LYS 12 13.469 6.966 4.904 77 1HB LYS 12 HB2 LYS 12 15.610 7.132 7.041 78 2HB LYS 12 HB3 LYS 12 14.039 6.368 7.171 79 1HG LYS 12 HG2 LYS 12 16.063 5.507 5.065 80 2HG LYS 12 HG3 LYS 12 16.077 4.833 6.682 81 1HD LYS 12 HD2 LYS 12 14.137 3.622 6.352 82 2HD LYS 12 HD3 LYS 12 13.402 4.861 5.355 83 1HE LYS 12 HE2 LYS 12 15.761 3.238 4.329 84 2HE LYS 12 HE3 LYS 12 14.127 2.613 4.219 85 1HZ LYS 12 HZ1 LYS 12 13.538 4.721 3.031 86 2HZ LYS 12 HZ2 LYS 12 15.112 5.141 3.014 87 H LEU 13 HN LEU 13 12.285 8.060 6.834 88 HA LEU 13 HA LEU 13 12.706 10.936 6.552 89 1HB LEU 13 HB2 LEU 13 10.349 9.585 7.840 90 2HB LEU 13 HB3 LEU 13 10.465 11.213 7.202 91 HG LEU 13 HG LEU 13 10.425 8.648 5.588 92 1HD1 LEU 13 HD11 LEU 13 8.252 9.308 4.848 93 2HD1 LEU 13 HD12 LEU 13 8.265 9.376 6.627 94 3HD1 LEU 13 HD13 LEU 13 8.379 10.877 5.678 95 1HD2 LEU 13 HD21 LEU 13 10.295 10.176 3.610 96 2HD2 LEU 13 HD22 LEU 13 10.729 11.523 4.689 97 3HD2 LEU 13 HD23 LEU 13 11.866 10.176 4.446 98 H SER 14 HN SER 14 13.629 8.375 8.566 99 HA SER 14 HA SER 14 15.185 8.658 10.098 100 1HB SER 14 HB2 SER 14 15.261 11.144 9.250 101 2HB SER 14 HB3 SER 14 14.328 11.507 10.689 102 HG SER 14 HG SER 14 16.044 10.491 11.965 103 H CYS 15 HN CYS 15 12.219 10.612 10.916 104 HA CYS 15 HA CYS 15 11.190 10.869 12.867 105 1HB CYS 15 HB2 CYS 15 10.080 8.851 13.687 106 2HB CYS 15 HB3 CYS 15 9.992 9.004 11.944 107 H VAL 16 HN VAL 16 12.974 11.798 14.092 108 HA VAL 16 HA VAL 16 14.816 10.087 15.434 109 HB VAL 16 HB VAL 16 14.164 13.029 15.672 110 1HG1 VAL 16 HG11 VAL 16 16.335 11.369 16.977 111 2HG1 VAL 16 HG12 VAL 16 16.459 13.133 16.773 112 3HG1 VAL 16 HG13 VAL 16 15.143 12.441 17.752 113 1HG2 VAL 16 HG21 VAL 16 16.267 13.328 14.406 114 2HG2 VAL 16 HG22 VAL 16 16.414 11.561 14.255 115 3HG2 VAL 16 HG23 VAL 16 15.051 12.410 13.487 116 H ALA 17 HN ALA 17 11.554 11.158 15.991 117 HA ALA 17 HA ALA 17 11.746 9.929 18.652 118 1HB ALA 17 HB1 ALA 17 10.048 12.299 17.774 119 2HB ALA 17 HB2 ALA 17 9.903 11.469 19.342 120 3HB ALA 17 HB3 ALA 17 11.404 12.331 18.926 121 H ASN 18 HN ASN 18 9.589 8.895 19.320 122 HA ASN 18 HA ASN 18 9.464 6.951 17.346 123 1HB ASN 18 HB2 ASN 18 7.771 7.352 19.869 124 2HB ASN 18 HB3 ASN 18 7.761 5.880 18.918 125 1HD2 ASN 18 HD21 ASN 18 10.926 4.692 19.921 126 2HD2 ASN 18 HD22 ASN 18 9.708 4.666 18.689 127 H ASN 19 HN ASN 19 7.304 9.621 18.381 128 HA ASN 19 HA ASN 19 5.030 8.522 17.101 129 1HB ASN 19 HB2 ASN 19 4.001 10.769 17.695 130 2HB ASN 19 HB3 ASN 19 4.715 9.945 19.067 131 1HD2 ASN 19 HD21 ASN 19 7.221 12.277 19.726 132 2HD2 ASN 19 HD22 ASN 19 6.454 10.770 20.100 133 H TYR 20 HN TYR 20 7.836 10.293 16.073 134 HA TYR 20 HA TYR 20 6.528 12.452 14.804 135 1HB TYR 20 HB2 TYR 20 8.945 12.123 15.819 136 2HB TYR 20 HB3 TYR 20 9.335 11.290 14.327 137 HD1 TYR 20 HD1 TYR 20 9.644 12.506 12.248 138 HD2 TYR 20 HD2 TYR 20 8.493 14.556 15.823 139 HE1 TYR 20 HE1 TYR 20 10.200 14.734 11.158 140 HE2 TYR 20 HE2 TYR 20 9.053 16.777 14.720 141 HH TYR 20 HH TYR 20 10.247 16.877 11.371 142 H CYS 21 HN CYS 21 7.322 9.182 13.816 143 HA CYS 21 HA CYS 21 7.696 9.566 11.107 144 1HB CYS 21 HB2 CYS 21 8.203 7.461 12.063 145 2HB CYS 21 HB3 CYS 21 6.582 7.260 12.697 146 H ASP 22 HN ASP 22 4.681 9.202 13.108 147 HA ASP 22 HA ASP 22 3.184 8.306 10.977 148 1HB ASP 22 HB2 ASP 22 2.632 8.035 13.419 149 2HB ASP 22 HB3 ASP 22 2.237 9.741 13.504 150 HD2 ASP 22 HD2 ASP 22 -1.017 9.002 12.749 151 H ASN 23 HN ASN 23 3.432 11.558 12.588 152 HA ASN 23 HA ASN 23 1.547 12.791 10.964 153 1HB ASN 23 HB2 ASN 23 2.783 14.933 11.754 154 2HB ASN 23 HB3 ASN 23 2.135 13.899 13.012 155 1HD2 ASN 23 HD21 ASN 23 6.153 14.529 12.548 156 2HD2 ASN 23 HD22 ASN 23 4.948 15.170 11.482 157 H GLN 24 HN GLN 24 5.043 12.106 10.687 158 HA GLN 24 HA GLN 24 5.501 14.060 8.697 159 1HB GLN 24 HB2 GLN 24 7.286 13.311 10.228 160 2HB GLN 24 HB3 GLN 24 7.171 11.676 9.607 161 1HG GLN 24 HG2 GLN 24 8.080 12.274 7.490 162 2HG GLN 24 HG3 GLN 24 7.714 13.975 7.703 163 1HE2 GLN 24 HE21 GLN 24 10.893 12.289 9.784 164 2HE2 GLN 24 HE22 GLN 24 9.401 11.437 9.562 165 H CYS 25 HN CYS 25 4.359 10.735 8.766 166 HA CYS 25 HA CYS 25 5.015 10.227 6.029 167 1HB CYS 25 HB2 CYS 25 3.301 8.735 8.022 168 2HB CYS 25 HB3 CYS 25 3.586 8.193 6.380 169 H LYS 26 HN LYS 26 2.103 11.069 8.020 170 HA LYS 26 HA LYS 26 0.369 10.805 5.765 171 1HB LYS 26 HB2 LYS 26 -1.378 11.146 7.283 172 2HB LYS 26 HB3 LYS 26 -0.165 10.281 8.206 173 1HG LYS 26 HG2 LYS 26 0.686 12.688 8.886 174 2HG LYS 26 HG3 LYS 26 -0.890 13.225 8.340 175 1HD LYS 26 HD2 LYS 26 -0.447 11.031 10.420 176 2HD LYS 26 HD3 LYS 26 -0.797 12.703 10.811 177 1HE LYS 26 HE2 LYS 26 -2.994 12.099 10.744 178 2HE LYS 26 HE3 LYS 26 -2.824 12.112 9.000 179 1HZ LYS 26 HZ1 LYS 26 -2.322 9.759 9.045 180 2HZ LYS 26 HZ2 LYS 26 -2.296 9.714 10.673 181 H MET 27 HN MET 27 2.507 13.238 6.934 182 HA MET 27 HA MET 27 1.368 15.554 6.180 183 1HB MET 27 HB2 MET 27 3.772 15.078 6.976 184 2HB MET 27 HB3 MET 27 4.161 14.605 5.334 185 1HG MET 27 HG2 MET 27 3.071 17.008 4.765 186 2HG MET 27 HG3 MET 27 3.531 17.347 6.422 187 1HE MET 27 HE1 MET 27 6.135 15.422 6.745 188 2HE MET 27 HE2 MET 27 7.357 16.679 6.437 189 3HE MET 27 HE3 MET 27 5.898 17.068 7.380 190 H LYS 28 HN LYS 28 2.459 12.867 4.047 191 HA LYS 28 HA LYS 28 1.523 14.194 1.698 192 1HB LYS 28 HB2 LYS 28 3.559 15.502 2.123 193 2HB LYS 28 HB3 LYS 28 4.514 14.034 2.172 194 1HG LYS 28 HG2 LYS 28 2.823 14.286 -0.261 195 2HG LYS 28 HG3 LYS 28 4.031 15.546 -0.106 196 1HD LYS 28 HD2 LYS 28 5.776 13.733 0.283 197 2HD LYS 28 HD3 LYS 28 4.543 12.535 -0.053 198 1HE LYS 28 HE2 LYS 28 5.696 12.870 -2.132 199 2HE LYS 28 HE3 LYS 28 4.163 13.701 -2.309 200 1HZ LYS 28 HZ1 LYS 28 6.739 15.002 -1.598 201 2HZ LYS 28 HZ2 LYS 28 5.981 15.121 -3.034 202 H LYS 29 HN LYS 29 3.807 11.710 3.056 203 HA LYS 29 HA LYS 29 3.941 10.358 0.601 204 1HB LYS 29 HB2 LYS 29 4.775 9.652 3.420 205 2HB LYS 29 HB3 LYS 29 5.027 8.562 2.072 206 1HG LYS 29 HG2 LYS 29 5.933 11.449 1.857 207 2HG LYS 29 HG3 LYS 29 6.918 10.294 2.732 208 1HD LYS 29 HD2 LYS 29 7.146 8.872 0.764 209 2HD LYS 29 HD3 LYS 29 5.942 9.794 -0.115 210 1HE LYS 29 HE2 LYS 29 8.078 10.547 -0.931 211 2HE LYS 29 HE3 LYS 29 7.475 11.833 0.096 212 1HZ LYS 29 HZ1 LYS 29 8.919 11.137 1.849 213 2HZ LYS 29 HZ2 LYS 29 9.312 9.738 1.113 214 H ALA 30 HN ALA 30 1.885 9.889 3.558 215 HA ALA 30 HA ALA 30 0.827 7.468 2.314 216 1HB ALA 30 HB1 ALA 30 1.660 6.030 3.935 217 2HB ALA 30 HB2 ALA 30 3.017 7.171 3.778 218 3HB ALA 30 HB3 ALA 30 1.873 7.329 5.132 219 H SER 31 HN SER 31 -0.653 6.454 4.379 220 HA SER 31 HA SER 31 -2.399 8.646 5.042 221 1HB SER 31 HB2 SER 31 -4.021 6.989 5.603 222 2HB SER 31 HB3 SER 31 -3.205 6.372 4.180 223 HG SER 31 HG SER 31 -1.835 5.086 5.643 224 H GLY 32 HN GLY 32 -0.092 6.353 6.520 225 1HA GLY 32 HA1 GLY 32 0.057 8.024 8.879 226 2HA GLY 32 HA2 GLY 32 -0.591 6.421 9.164 227 H GLY 33 HN GLY 33 1.441 6.247 10.546 228 1HA GLY 33 HA1 GLY 33 3.096 4.380 9.315 229 2HA GLY 33 HA2 GLY 33 3.966 5.901 9.319 230 H HIS 34 HN HIS 34 5.046 3.833 10.793 231 HA HIS 34 HA HIS 34 4.923 5.192 13.355 232 1HB HIS 34 HB2 HIS 34 3.550 3.266 13.758 233 2HB HIS 34 HB3 HIS 34 4.706 2.197 12.988 234 HD1 HIS 34 HD1 HIS 34 6.782 1.456 14.364 235 HD2 HIS 34 HD2 HIS 34 4.226 4.084 16.402 236 HE1 HIS 34 HE1 HIS 34 7.515 1.414 16.808 237 H CYS 35 HN CYS 35 6.959 4.996 14.581 238 HA CYS 35 HA CYS 35 9.137 4.939 12.696 239 1HB CYS 35 HB2 CYS 35 8.804 6.790 14.340 240 2HB CYS 35 HB3 CYS 35 9.162 5.661 15.633 241 H TYR 36 HN TYR 36 9.697 2.788 12.245 242 HA TYR 36 HA TYR 36 9.960 0.991 14.552 243 1HB TYR 36 HB2 TYR 36 8.437 0.607 12.428 244 2HB TYR 36 HB3 TYR 36 9.930 0.414 11.532 245 HD1 TYR 36 HD1 TYR 36 11.459 -1.509 12.052 246 HD2 TYR 36 HD2 TYR 36 7.576 -1.153 13.813 247 HE1 TYR 36 HE1 TYR 36 11.514 -3.969 12.690 248 HE2 TYR 36 HE2 TYR 36 7.644 -3.615 14.444 249 HH TYR 36 HH TYR 36 8.764 -5.454 14.386 250 H ALA 37 HN ALA 37 11.920 0.087 15.083 251 HA ALA 37 HA ALA 37 14.146 0.149 15.256 252 1HB ALA 37 HB1 ALA 37 15.275 -0.951 13.365 253 2HB ALA 37 HB2 ALA 37 13.707 -1.724 13.697 254 3HB ALA 37 HB3 ALA 37 13.875 -0.610 12.319 255 H MET 38 HN MET 38 13.237 2.745 15.080 256 HA MET 38 HA MET 38 13.926 4.773 14.695 257 1HB MET 38 HB2 MET 38 16.202 3.217 15.217 258 2HB MET 38 HB3 MET 38 16.663 4.058 13.751 259 1HG MET 38 HG2 MET 38 15.608 5.412 16.282 260 2HG MET 38 HG3 MET 38 17.296 5.331 15.818 261 1HE MET 38 HE1 MET 38 17.709 7.721 12.937 262 2HE MET 38 HE2 MET 38 18.445 6.943 14.358 263 3HE MET 38 HE3 MET 38 17.811 5.947 13.026 264 H SER 39 HN SER 39 12.650 3.483 12.452 265 HA SER 39 HA SER 39 13.437 5.529 10.637 266 1HB SER 39 HB2 SER 39 13.804 2.609 9.978 267 2HB SER 39 HB3 SER 39 13.265 3.685 8.704 268 HG SER 39 HG SER 39 15.601 4.199 10.335 269 H CYS 40 HN CYS 40 11.693 5.935 8.998 270 HA CYS 40 HA CYS 40 9.274 5.588 10.492 271 1HB CYS 40 HB2 CYS 40 9.885 7.792 9.701 272 2HB CYS 40 HB3 CYS 40 9.927 7.233 8.041 273 H TYR 41 HN TYR 41 8.502 3.452 10.154 274 HA TYR 41 HA TYR 41 8.119 2.446 7.506 275 1HB TYR 41 HB2 TYR 41 8.349 1.111 9.671 276 2HB TYR 41 HB3 TYR 41 6.871 1.845 10.261 277 HD1 TYR 41 HD1 TYR 41 8.200 -0.339 7.540 278 HD2 TYR 41 HD2 TYR 41 4.776 0.866 9.804 279 HE1 TYR 41 HE1 TYR 41 6.841 -2.218 6.498 280 HE2 TYR 41 HE2 TYR 41 3.429 -1.017 8.755 281 HH TYR 41 HH TYR 41 3.444 -2.714 7.426 282 H CYS 42 HN CYS 42 6.875 3.774 6.186 283 HA CYS 42 HA CYS 42 4.613 5.104 7.389 284 1HB CYS 42 HB2 CYS 42 5.884 5.307 4.654 285 2HB CYS 42 HB3 CYS 42 4.449 6.194 5.127 286 H GLU 43 HN GLU 43 2.425 4.976 6.267 287 HA GLU 43 HA GLU 43 2.060 2.259 5.302 288 1HB GLU 43 HB2 GLU 43 0.834 3.495 7.794 289 2HB GLU 43 HB3 GLU 43 0.095 2.124 6.992 290 1HG GLU 43 HG2 GLU 43 2.198 0.815 7.251 291 2HG GLU 43 HG3 GLU 43 2.977 2.192 8.005 292 HE2 GLU 43 HE2 GLU 43 1.286 1.736 11.043 293 H GLY 44 HN GLY 44 0.747 2.267 3.529 294 1HA GLY 44 HA1 GLY 44 -1.247 2.658 2.444 295 2HA GLY 44 HA2 GLY 44 -1.611 3.976 3.539 296 H LEU 45 HN LEU 45 1.135 3.189 1.276 297 HA LEU 45 HA LEU 45 1.058 5.947 0.359 298 1HB LEU 45 HB2 LEU 45 2.998 3.678 -0.089 299 2HB LEU 45 HB3 LEU 45 3.132 5.242 -0.868 300 HG LEU 45 HG LEU 45 2.989 6.067 1.692 301 1HD1 LEU 45 HD11 LEU 45 4.411 4.547 3.073 302 2HD1 LEU 45 HD12 LEU 45 2.792 3.906 2.706 303 3HD1 LEU 45 HD13 LEU 45 4.211 3.299 1.819 304 1HD2 LEU 45 HD21 LEU 45 5.482 6.155 1.656 305 2HD2 LEU 45 HD22 LEU 45 5.452 5.140 0.193 306 3HD2 LEU 45 HD23 LEU 45 4.708 6.757 0.170 307 HA PRO 46 HA PRO 46 -0.362 4.610 -3.670 308 1HB PRO 46 HB2 PRO 46 0.724 6.575 -5.227 309 2HB PRO 46 HB3 PRO 46 -0.840 6.723 -4.450 310 1HG PRO 46 HG2 PRO 46 1.725 7.988 -3.706 311 2HG PRO 46 HG3 PRO 46 0.100 8.437 -3.227 312 1HD PRO 46 HD2 PRO 46 2.036 7.042 -1.634 313 2HD PRO 46 HD3 PRO 46 0.374 7.388 -1.199 314 H GLU 47 HN GLU 47 0.479 3.688 -5.700 315 HA GLU 47 HA GLU 47 2.517 2.065 -4.620 316 1HB GLU 47 HB2 GLU 47 2.079 0.604 -6.480 317 2HB GLU 47 HB3 GLU 47 0.534 1.264 -5.983 318 1HG GLU 47 HG2 GLU 47 0.871 3.081 -7.784 319 2HG GLU 47 HG3 GLU 47 2.230 2.137 -8.362 320 HE2 GLU 47 HE2 GLU 47 -1.489 0.837 -9.044 321 H ASN 48 HN ASN 48 2.514 4.938 -6.502 322 HA ASN 48 HA ASN 48 4.626 4.311 -8.231 323 1HB ASN 48 HB2 ASN 48 4.617 6.700 -8.760 324 2HB ASN 48 HB3 ASN 48 2.952 6.199 -8.544 325 1HD2 ASN 48 HD21 ASN 48 4.722 8.971 -6.136 326 2HD2 ASN 48 HD22 ASN 48 5.556 8.119 -7.393 327 H ALA 49 HN ALA 49 4.355 5.151 -4.849 328 HA ALA 49 HA ALA 49 6.925 6.425 -4.653 329 1HB ALA 49 HB1 ALA 49 4.981 5.440 -2.525 330 2HB ALA 49 HB2 ALA 49 6.373 6.517 -2.259 331 3HB ALA 49 HB3 ALA 49 4.994 7.070 -3.238 332 H LYS 50 HN LYS 50 8.855 5.414 -4.386 333 HA LYS 50 HA LYS 50 8.874 2.553 -4.210 334 1HB LYS 50 HB2 LYS 50 10.491 4.398 -5.404 335 2HB LYS 50 HB3 LYS 50 11.411 4.057 -3.953 336 1HG LYS 50 HG2 LYS 50 10.285 1.845 -5.724 337 2HG LYS 50 HG3 LYS 50 11.871 2.541 -5.990 338 1HD LYS 50 HD2 LYS 50 11.121 1.507 -3.238 339 2HD LYS 50 HD3 LYS 50 11.628 0.382 -4.483 340 1HE LYS 50 HE2 LYS 50 13.794 1.421 -4.694 341 2HE LYS 50 HE3 LYS 50 13.285 2.848 -3.814 342 1HZ LYS 50 HZ1 LYS 50 13.504 0.136 -2.619 343 2HZ LYS 50 HZ2 LYS 50 14.587 1.334 -2.411 344 H VAL 51 HN VAL 51 8.765 1.415 -2.355 345 HA VAL 51 HA VAL 51 10.026 2.641 -0.001 346 HB VAL 51 HB VAL 51 8.332 1.819 1.394 347 1HG1 VAL 51 HG11 VAL 51 7.753 3.843 0.014 348 2HG1 VAL 51 HG12 VAL 51 6.834 2.769 -1.067 349 3HG1 VAL 51 HG13 VAL 51 6.352 2.940 0.638 350 1HG2 VAL 51 HG21 VAL 51 6.410 0.436 0.475 351 2HG2 VAL 51 HG22 VAL 51 7.396 0.197 -0.988 352 3HG2 VAL 51 HG23 VAL 51 7.982 -0.391 0.587 353 H SER 52 HN SER 52 11.378 1.270 1.229 354 HA SER 52 HA SER 52 11.829 -1.353 0.171 355 1HB SER 52 HB2 SER 52 13.793 -0.289 0.984 356 2HB SER 52 HB3 SER 52 13.001 0.277 2.441 357 HG SER 52 HG SER 52 13.921 -2.369 1.799 358 H ASP 53 HN ASP 53 11.166 -3.332 1.161 359 HA ASP 53 HA ASP 53 9.705 -2.993 3.661 360 1HB ASP 53 HB2 ASP 53 8.669 -5.205 3.150 361 2HB ASP 53 HB3 ASP 53 8.320 -4.014 1.913 362 HD2 ASP 53 HD2 ASP 53 10.901 -5.797 -0.107 363 H SER 54 HN SER 54 12.662 -3.071 3.331 364 HA SER 54 HA SER 54 13.229 -5.745 4.345 365 1HB SER 54 HB2 SER 54 15.463 -5.515 3.092 366 2HB SER 54 HB3 SER 54 14.043 -5.819 2.113 367 HG SER 54 HG SER 54 15.183 -4.138 1.119 368 H ALA 55 HN ALA 55 12.711 -3.288 5.887 369 HA ALA 55 HA ALA 55 13.487 -2.605 7.843 370 1HB ALA 55 HB1 ALA 55 15.036 -4.091 9.026 371 2HB ALA 55 HB2 ALA 55 13.847 -5.052 8.115 372 3HB ALA 55 HB3 ALA 55 15.502 -4.861 7.490 373 H THR 56 HN THR 56 14.303 -1.045 5.701 374 HA THR 56 HA THR 56 15.722 0.616 5.270 375 HB THR 56 HB THR 56 16.480 0.118 8.198 376 HG1 THR 56 HG1 THR 56 14.199 0.483 7.824 377 1HG2 THR 56 HG21 THR 56 16.816 2.639 8.160 378 2HG2 THR 56 HG22 THR 56 18.032 1.752 7.210 379 3HG2 THR 56 HG23 THR 56 16.688 2.578 6.386 380 H ASN 57 HN ASN 57 16.693 -1.158 3.808 381 HA ASN 57 HA ASN 57 19.352 -1.843 4.574 382 1HB ASN 57 HB2 ASN 57 19.514 -2.786 2.303 383 2HB ASN 57 HB3 ASN 57 17.974 -3.251 2.999 384 1HD2 ASN 57 HD21 ASN 57 15.929 -1.440 0.810 385 2HD2 ASN 57 HD22 ASN 57 16.079 -2.464 2.199 386 H ILE 58 HN ILE 58 17.617 0.840 3.140 387 HA ILE 58 HA ILE 58 19.865 1.933 1.741 388 HB ILE 58 HB ILE 58 17.163 3.042 2.499 389 1HG1 ILE 58 HG12 ILE 58 17.513 2.798 -0.301 390 2HG1 ILE 58 HG13 ILE 58 18.080 1.294 0.397 391 1HG2 ILE 58 HG21 ILE 58 19.342 4.272 0.791 392 2HG2 ILE 58 HG22 ILE 58 17.664 4.858 0.891 393 3HG2 ILE 58 HG23 ILE 58 18.706 4.891 2.334 394 1HD1 ILE 58 HD11 ILE 58 15.387 2.600 1.002 395 2HD1 ILE 58 HD12 ILE 58 15.643 1.209 -0.078 396 3HD1 ILE 58 HD13 ILE 58 15.962 1.052 1.667 397 H CYS 59 HN CYS 59 21.238 3.666 2.427 398 HA CYS 59 HA CYS 59 22.832 3.984 3.924 399 1HB CYS 59 HB2 CYS 59 20.399 5.135 5.258 400 2HB CYS 59 HB3 CYS 59 21.955 5.182 6.064 401 H GLY 60 HN GLY 60 22.032 1.289 3.877 402 1HA GLY 60 HA1 GLY 60 22.480 -0.577 5.046 403 2HA GLY 60 HA2 GLY 60 23.295 0.436 6.221 Start of MODEL 13 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.025 -0.175 3 1HB LYS 1 HB2 LYS 1 1.415 0.643 -2.059 4 2HB LYS 1 HB3 LYS 1 1.855 1.906 -0.927 5 1HG LYS 1 HG2 LYS 1 3.937 1.422 -1.882 6 2HG LYS 1 HG3 LYS 1 3.980 0.403 -0.457 7 1HD LYS 1 HD2 LYS 1 3.340 -1.567 -1.747 8 2HD LYS 1 HD3 LYS 1 2.991 -0.597 -3.164 9 1HE LYS 1 HE2 LYS 1 5.393 0.058 -3.325 10 2HE LYS 1 HE3 LYS 1 5.754 -0.873 -1.885 11 1HZ LYS 1 HZ1 LYS 1 4.709 -1.994 -4.431 12 2HZ LYS 1 HZ2 LYS 1 6.223 -2.178 -3.862 13 H ASP 2 HN ASP 2 2.095 -1.513 2.004 14 HA ASP 2 HA ASP 2 3.146 0.718 3.513 15 1HB ASP 2 HB2 ASP 2 1.354 -1.314 4.877 16 2HB ASP 2 HB3 ASP 2 1.853 0.259 5.467 17 HD2 ASP 2 HD2 ASP 2 -0.686 1.927 3.704 18 H GLY 3 HN GLY 3 4.757 -0.005 5.109 19 1HA GLY 3 HA1 GLY 3 5.300 -2.342 6.206 20 2HA GLY 3 HA2 GLY 3 5.807 -2.675 4.562 21 H TYR 4 HN TYR 4 8.051 -2.821 4.968 22 HA TYR 4 HA TYR 4 9.254 -0.485 6.286 23 1HB TYR 4 HB2 TYR 4 10.349 -3.320 5.809 24 2HB TYR 4 HB3 TYR 4 10.976 -2.147 6.949 25 HD1 TYR 4 HD1 TYR 4 9.538 -1.519 8.969 26 HD2 TYR 4 HD2 TYR 4 8.663 -4.860 6.444 27 HE1 TYR 4 HE1 TYR 4 8.082 -2.525 10.793 28 HE2 TYR 4 HE2 TYR 4 7.209 -5.855 8.277 29 HH TYR 4 HH TYR 4 6.422 -5.627 10.269 30 HA PRO 5 HA PRO 5 10.757 0.153 2.230 31 1HB PRO 5 HB2 PRO 5 11.675 2.702 2.589 32 2HB PRO 5 HB3 PRO 5 10.008 2.330 2.197 33 1HG PRO 5 HG2 PRO 5 11.162 3.165 4.788 34 2HG PRO 5 HG3 PRO 5 9.488 3.201 4.268 35 1HD PRO 5 HD2 PRO 5 10.695 1.294 6.039 36 2HD PRO 5 HD3 PRO 5 9.052 1.265 5.428 37 H VAL 6 HN VAL 6 12.748 0.481 1.019 38 HA VAL 6 HA VAL 6 15.093 0.400 2.746 39 HB VAL 6 HB VAL 6 14.989 -1.855 2.528 40 1HG1 VAL 6 HG11 VAL 6 14.088 -3.029 0.476 41 2HG1 VAL 6 HG12 VAL 6 12.901 -2.069 1.391 42 3HG1 VAL 6 HG13 VAL 6 13.583 -1.432 -0.125 43 1HG2 VAL 6 HG21 VAL 6 16.583 -2.605 0.944 44 2HG2 VAL 6 HG22 VAL 6 16.169 -1.311 -0.206 45 3HG2 VAL 6 HG23 VAL 6 17.023 -0.918 1.305 46 H ASP 7 HN ASP 7 16.654 1.755 1.983 47 HA ASP 7 HA ASP 7 16.973 2.293 -0.741 48 1HB ASP 7 HB2 ASP 7 16.314 4.859 -0.264 49 2HB ASP 7 HB3 ASP 7 15.157 3.710 -0.904 50 HD2 ASP 7 HD2 ASP 7 15.505 5.982 1.287 51 H SER 8 HN SER 8 16.988 4.297 2.363 52 HA SER 8 HA SER 8 19.080 5.729 1.115 53 1HB SER 8 HB2 SER 8 18.918 7.084 3.334 54 2HB SER 8 HB3 SER 8 17.539 7.095 2.253 55 HG SER 8 HG SER 8 16.877 6.706 4.444 56 H LYS 9 HN LYS 9 18.729 3.622 4.026 57 HA LYS 9 HA LYS 9 21.664 3.532 4.146 58 1HB LYS 9 HB2 LYS 9 21.444 3.146 6.570 59 2HB LYS 9 HB3 LYS 9 20.834 4.714 6.082 60 1HG LYS 9 HG2 LYS 9 18.773 2.581 6.011 61 2HG LYS 9 HG3 LYS 9 19.443 2.842 7.609 62 1HD LYS 9 HD2 LYS 9 18.615 5.236 5.948 63 2HD LYS 9 HD3 LYS 9 17.381 4.295 6.763 64 1HE LYS 9 HE2 LYS 9 18.551 4.625 8.943 65 2HE LYS 9 HE3 LYS 9 19.813 5.537 8.138 66 1HZ LYS 9 HZ1 LYS 9 18.098 6.990 9.107 67 2HZ LYS 9 HZ2 LYS 9 18.153 7.187 7.491 68 H GLY 10 HN GLY 10 19.170 1.951 2.875 69 1HA GLY 10 HA1 GLY 10 19.165 -0.189 2.076 70 2HA GLY 10 HA2 GLY 10 20.484 -0.612 3.149 71 H CYS 11 HN CYS 11 19.879 -0.609 5.621 72 HA CYS 11 HA CYS 11 17.691 -2.494 5.649 73 1HB CYS 11 HB2 CYS 11 19.906 -1.879 7.607 74 2HB CYS 11 HB3 CYS 11 18.605 -2.999 7.959 75 H LYS 12 HN LYS 12 16.243 -0.380 5.342 76 HA LYS 12 HA LYS 12 14.378 0.361 6.272 77 1HB LYS 12 HB2 LYS 12 15.201 -0.794 8.939 78 2HB LYS 12 HB3 LYS 12 13.584 -0.486 8.339 79 1HG LYS 12 HG2 LYS 12 15.544 -2.603 7.349 80 2HG LYS 12 HG3 LYS 12 14.007 -2.874 8.148 81 1HD LYS 12 HD2 LYS 12 12.956 -1.566 6.134 82 2HD LYS 12 HD3 LYS 12 14.496 -1.821 5.337 83 1HE LYS 12 HE2 LYS 12 14.224 -4.328 5.854 84 2HE LYS 12 HE3 LYS 12 12.590 -3.968 6.373 85 1HZ LYS 12 HZ1 LYS 12 12.200 -3.002 4.129 86 2HZ LYS 12 HZ2 LYS 12 13.689 -3.466 3.660 87 H LEU 13 HN LEU 13 13.566 2.028 7.939 88 HA LEU 13 HA LEU 13 15.715 3.921 8.425 89 1HB LEU 13 HB2 LEU 13 12.774 4.325 8.922 90 2HB LEU 13 HB3 LEU 13 14.021 5.539 8.715 91 HG LEU 13 HG LEU 13 12.967 3.684 6.563 92 1HD1 LEU 13 HD11 LEU 13 11.975 5.674 5.583 93 2HD1 LEU 13 HD12 LEU 13 11.375 5.432 7.242 94 3HD1 LEU 13 HD13 LEU 13 12.608 6.673 6.913 95 1HD2 LEU 13 HD21 LEU 13 15.229 4.049 6.022 96 2HD2 LEU 13 HD22 LEU 13 14.312 5.222 5.046 97 3HD2 LEU 13 HD23 LEU 13 15.161 5.758 6.516 98 H SER 14 HN SER 14 14.109 1.350 10.027 99 HA SER 14 HA SER 14 14.798 0.460 11.906 100 1HB SER 14 HB2 SER 14 16.911 1.938 11.578 101 2HB SER 14 HB3 SER 14 16.188 3.032 12.740 102 HG SER 14 HG SER 14 17.619 1.514 13.775 103 H CYS 15 HN CYS 15 14.305 4.018 12.614 104 HA CYS 15 HA CYS 15 13.173 5.026 14.201 105 1HB CYS 15 HB2 CYS 15 11.017 4.505 14.503 106 2HB CYS 15 HB3 CYS 15 11.321 3.364 13.208 107 H VAL 16 HN VAL 16 13.784 5.365 16.347 108 HA VAL 16 HA VAL 16 14.254 2.965 17.963 109 HB VAL 16 HB VAL 16 16.152 4.146 19.021 110 1HG1 VAL 16 HG11 VAL 16 16.495 2.453 17.247 111 2HG1 VAL 16 HG12 VAL 16 16.481 3.749 16.028 112 3HG1 VAL 16 HG13 VAL 16 17.769 3.696 17.255 113 1HG2 VAL 16 HG21 VAL 16 17.166 6.085 17.963 114 2HG2 VAL 16 HG22 VAL 16 15.903 6.099 16.709 115 3HG2 VAL 16 HG23 VAL 16 15.480 6.452 18.401 116 H ALA 17 HN ALA 17 12.051 5.121 17.456 117 HA ALA 17 HA ALA 17 11.292 5.401 20.163 118 1HB ALA 17 HB1 ALA 17 12.904 7.149 20.334 119 2HB ALA 17 HB2 ALA 17 12.478 7.803 18.734 120 3HB ALA 17 HB3 ALA 17 11.340 7.964 20.094 121 H ASN 18 HN ASN 18 9.159 6.723 20.273 122 HA ASN 18 HA ASN 18 7.639 5.137 18.645 123 1HB ASN 18 HB2 ASN 18 6.825 7.660 20.184 124 2HB ASN 18 HB3 ASN 18 5.689 6.481 19.556 125 1HD2 ASN 18 HD21 ASN 18 6.207 4.023 21.997 126 2HD2 ASN 18 HD22 ASN 18 5.605 4.398 20.417 127 H ASN 19 HN ASN 19 8.573 8.614 18.438 128 HA ASN 19 HA ASN 19 6.605 9.136 16.452 129 1HB ASN 19 HB2 ASN 19 7.674 11.440 16.448 130 2HB ASN 19 HB3 ASN 19 7.166 10.914 18.040 131 1HD2 ASN 19 HD21 ASN 19 10.342 10.730 19.481 132 2HD2 ASN 19 HD22 ASN 19 8.631 10.494 19.618 133 H TYR 20 HN TYR 20 9.870 7.896 16.544 134 HA TYR 20 HA TYR 20 11.118 9.724 14.854 135 1HB TYR 20 HB2 TYR 20 12.000 7.938 16.567 136 2HB TYR 20 HB3 TYR 20 11.746 6.745 15.309 137 HD1 TYR 20 HD1 TYR 20 13.023 7.029 13.096 138 HD2 TYR 20 HD2 TYR 20 13.994 9.205 16.650 139 HE1 TYR 20 HE1 TYR 20 15.339 7.522 12.170 140 HE2 TYR 20 HE2 TYR 20 16.306 9.691 15.712 141 HH TYR 20 HH TYR 20 17.232 8.500 12.491 142 H CYS 21 HN CYS 21 9.418 6.632 14.201 143 HA CYS 21 HA CYS 21 10.341 6.332 11.583 144 1HB CYS 21 HB2 CYS 21 9.337 4.509 12.823 145 2HB CYS 21 HB3 CYS 21 7.806 5.357 12.912 146 H ASP 22 HN ASP 22 7.489 8.047 13.056 147 HA ASP 22 HA ASP 22 6.027 7.885 10.716 148 1HB ASP 22 HB2 ASP 22 5.163 8.262 13.082 149 2HB ASP 22 HB3 ASP 22 5.718 9.921 12.971 150 HD2 ASP 22 HD2 ASP 22 3.557 10.106 13.493 151 H ASN 23 HN ASN 23 7.982 10.529 12.246 152 HA ASN 23 HA ASN 23 7.185 12.495 10.447 153 1HB ASN 23 HB2 ASN 23 9.157 13.765 11.368 154 2HB ASN 23 HB3 ASN 23 8.175 13.057 12.635 155 1HD2 ASN 23 HD21 ASN 23 12.047 11.892 11.951 156 2HD2 ASN 23 HD22 ASN 23 11.187 12.994 10.928 157 H GLN 24 HN GLN 24 9.644 9.935 10.434 158 HA GLN 24 HA GLN 24 11.215 11.187 8.411 159 1HB GLN 24 HB2 GLN 24 12.054 9.621 10.284 160 2HB GLN 24 HB3 GLN 24 11.392 8.297 9.347 161 1HG GLN 24 HG2 GLN 24 12.796 9.011 7.384 162 2HG GLN 24 HG3 GLN 24 13.484 10.294 8.359 163 1HE2 GLN 24 HE21 GLN 24 15.867 7.491 8.427 164 2HE2 GLN 24 HE22 GLN 24 15.201 8.615 7.289 165 H CYS 25 HN CYS 25 8.587 8.806 8.648 166 HA CYS 25 HA CYS 25 8.940 7.796 6.021 167 1HB CYS 25 HB2 CYS 25 6.590 7.666 7.920 168 2HB CYS 25 HB3 CYS 25 6.670 6.828 6.383 169 H LYS 26 HN LYS 26 6.853 10.274 7.646 170 HA LYS 26 HA LYS 26 5.320 10.655 5.255 171 1HB LYS 26 HB2 LYS 26 3.894 11.941 6.569 172 2HB LYS 26 HB3 LYS 26 4.502 10.742 7.693 173 1HG LYS 26 HG2 LYS 26 6.383 12.546 8.191 174 2HG LYS 26 HG3 LYS 26 5.248 13.671 7.470 175 1HD LYS 26 HD2 LYS 26 4.685 11.842 9.852 176 2HD LYS 26 HD3 LYS 26 4.946 13.574 9.928 177 1HE LYS 26 HE2 LYS 26 2.648 12.187 8.464 178 2HE LYS 26 HE3 LYS 26 2.520 13.025 9.998 179 1HZ LYS 26 HZ1 LYS 26 3.432 15.031 8.706 180 2HZ LYS 26 HZ2 LYS 26 3.067 14.211 7.347 181 H MET 27 HN MET 27 8.371 11.685 6.333 182 HA MET 27 HA MET 27 8.572 14.274 5.658 183 1HB MET 27 HB2 MET 27 10.395 12.607 6.406 184 2HB MET 27 HB3 MET 27 10.506 12.077 4.740 185 1HG MET 27 HG2 MET 27 10.860 14.639 4.197 186 2HG MET 27 HG3 MET 27 11.227 14.788 5.904 187 1HE MET 27 HE1 MET 27 12.585 11.734 6.382 188 2HE MET 27 HE2 MET 27 14.231 12.411 6.406 189 3HE MET 27 HE3 MET 27 12.886 13.313 7.145 190 H LYS 28 HN LYS 28 8.305 11.460 3.428 191 HA LYS 28 HA LYS 28 7.535 13.036 1.238 192 1HB LYS 28 HB2 LYS 28 9.538 12.855 -0.160 193 2HB LYS 28 HB3 LYS 28 9.826 13.843 1.258 194 1HG LYS 28 HG2 LYS 28 10.757 11.725 2.397 195 2HG LYS 28 HG3 LYS 28 10.689 10.951 0.826 196 1HD LYS 28 HD2 LYS 28 12.165 12.740 -0.119 197 2HD LYS 28 HD3 LYS 28 12.234 13.512 1.452 198 1HE LYS 28 HE2 LYS 28 14.243 12.147 1.166 199 2HE LYS 28 HE3 LYS 28 13.252 11.425 2.418 200 1HZ LYS 28 HZ1 LYS 28 13.374 10.526 -0.411 201 2HZ LYS 28 HZ2 LYS 28 13.974 9.726 0.874 202 H LYS 29 HN LYS 29 9.178 10.057 2.431 203 HA LYS 29 HA LYS 29 8.701 8.487 0.212 204 1HB LYS 29 HB2 LYS 29 9.067 7.835 3.141 205 2HB LYS 29 HB3 LYS 29 8.876 6.586 1.928 206 1HG LYS 29 HG2 LYS 29 10.914 8.779 1.473 207 2HG LYS 29 HG3 LYS 29 11.300 7.474 2.577 208 1HD LYS 29 HD2 LYS 29 10.219 6.846 -0.188 209 2HD LYS 29 HD3 LYS 29 11.915 7.236 0.019 210 1HE LYS 29 HE2 LYS 29 12.043 5.414 1.801 211 2HE LYS 29 HE3 LYS 29 10.397 4.969 1.393 212 1HZ LYS 29 HZ1 LYS 29 12.234 3.724 0.186 213 2HZ LYS 29 HZ2 LYS 29 11.070 4.333 -0.776 214 H ALA 30 HN ALA 30 6.569 9.221 3.048 215 HA ALA 30 HA ALA 30 4.611 7.372 1.879 216 1HB ALA 30 HB1 ALA 30 5.241 7.462 4.839 217 2HB ALA 30 HB2 ALA 30 4.390 6.201 3.915 218 3HB ALA 30 HB3 ALA 30 6.148 6.404 3.732 219 H SER 31 HN SER 31 2.444 7.606 3.266 220 HA SER 31 HA SER 31 1.940 10.414 3.558 221 1HB SER 31 HB2 SER 31 0.086 8.044 4.061 222 2HB SER 31 HB3 SER 31 -0.400 9.723 3.925 223 HG SER 31 HG SER 31 0.817 8.121 1.837 224 H GLY 32 HN GLY 32 2.450 7.486 5.536 225 1HA GLY 32 HA1 GLY 32 2.877 9.170 7.863 226 2HA GLY 32 HA2 GLY 32 1.546 8.038 7.990 227 H GLY 33 HN GLY 33 3.165 7.336 9.828 228 1HA GLY 33 HA1 GLY 33 4.012 4.760 9.000 229 2HA GLY 33 HA2 GLY 33 5.402 5.787 9.289 230 H HIS 34 HN HIS 34 5.030 3.554 10.905 231 HA HIS 34 HA HIS 34 4.657 4.926 13.437 232 1HB HIS 34 HB2 HIS 34 2.553 3.911 13.310 233 2HB HIS 34 HB3 HIS 34 3.178 2.462 12.549 234 HD1 HIS 34 HD1 HIS 34 3.469 4.242 15.937 235 HD2 HIS 34 HD2 HIS 34 3.529 0.385 14.290 236 HE1 HIS 34 HE1 HIS 34 3.608 2.626 17.907 237 H CYS 35 HN CYS 35 6.024 4.134 15.111 238 HA CYS 35 HA CYS 35 8.306 2.739 14.078 239 1HB CYS 35 HB2 CYS 35 8.688 4.640 15.488 240 2HB CYS 35 HB3 CYS 35 7.691 3.974 16.765 241 H TYR 36 HN TYR 36 7.192 0.649 13.630 242 HA TYR 36 HA TYR 36 6.337 -0.930 15.847 243 1HB TYR 36 HB2 TYR 36 5.771 -1.160 13.337 244 2HB TYR 36 HB3 TYR 36 7.436 -1.625 13.052 245 HD1 TYR 36 HD1 TYR 36 7.909 -3.891 12.907 246 HD2 TYR 36 HD2 TYR 36 4.558 -2.630 15.250 247 HE1 TYR 36 HE1 TYR 36 7.302 -6.318 13.358 248 HE2 TYR 36 HE2 TYR 36 3.962 -5.062 15.692 249 HH TYR 36 HH TYR 36 5.934 -7.681 14.313 250 H ALA 37 HN ALA 37 7.483 -2.917 16.618 251 HA ALA 37 HA ALA 37 9.760 -1.851 17.808 252 1HB ALA 37 HB1 ALA 37 8.706 -4.707 17.729 253 2HB ALA 37 HB2 ALA 37 9.905 -4.083 18.887 254 3HB ALA 37 HB3 ALA 37 8.244 -3.445 18.896 255 H MET 38 HN MET 38 9.299 -3.879 14.930 256 HA MET 38 HA MET 38 11.954 -4.912 15.087 257 1HB MET 38 HB2 MET 38 9.735 -6.015 14.147 258 2HB MET 38 HB3 MET 38 10.069 -5.097 12.693 259 1HG MET 38 HG2 MET 38 12.238 -6.200 12.407 260 2HG MET 38 HG3 MET 38 12.111 -6.972 13.975 261 1HE MET 38 HE1 MET 38 11.583 -10.151 11.954 262 2HE MET 38 HE2 MET 38 12.825 -8.877 11.907 263 3HE MET 38 HE3 MET 38 12.197 -9.450 13.470 264 H SER 39 HN SER 39 10.196 -2.343 13.347 265 HA SER 39 HA SER 39 12.515 -1.092 12.508 266 1HB SER 39 HB2 SER 39 11.386 -3.122 10.631 267 2HB SER 39 HB3 SER 39 11.762 -1.567 9.915 268 HG SER 39 HG SER 39 13.598 -3.176 11.479 269 H CYS 40 HN CYS 40 11.924 0.718 10.814 270 HA CYS 40 HA CYS 40 9.603 1.995 11.724 271 1HB CYS 40 HB2 CYS 40 11.452 3.312 11.022 272 2HB CYS 40 HB3 CYS 40 11.496 2.553 9.443 273 H TYR 41 HN TYR 41 7.601 1.087 11.281 274 HA TYR 41 HA TYR 41 7.109 -0.081 8.680 275 1HB TYR 41 HB2 TYR 41 6.236 -0.948 10.924 276 2HB TYR 41 HB3 TYR 41 5.374 0.561 11.147 277 HD1 TYR 41 HD1 TYR 41 5.623 -2.342 8.796 278 HD2 TYR 41 HD2 TYR 41 3.161 0.764 10.406 279 HE1 TYR 41 HE1 TYR 41 3.602 -3.311 7.595 280 HE2 TYR 41 HE2 TYR 41 1.148 -0.215 9.200 281 HH TYR 41 HH TYR 41 0.393 -1.840 7.993 282 H CYS 42 HN CYS 42 7.093 1.517 7.092 283 HA CYS 42 HA CYS 42 5.791 4.012 7.680 284 1HB CYS 42 HB2 CYS 42 7.220 2.995 5.218 285 2HB CYS 42 HB3 CYS 42 6.497 4.586 5.343 286 H GLU 43 HN GLU 43 4.014 4.849 6.208 287 HA GLU 43 HA GLU 43 2.320 2.613 5.450 288 1HB GLU 43 HB2 GLU 43 1.719 4.723 7.556 289 2HB GLU 43 HB3 GLU 43 0.445 3.811 6.773 290 1HG GLU 43 HG2 GLU 43 1.472 1.677 7.536 291 2HG GLU 43 HG3 GLU 43 2.797 2.559 8.269 292 HE2 GLU 43 HE2 GLU 43 -0.530 2.171 8.262 293 H GLY 44 HN GLY 44 1.168 3.017 3.590 294 1HA GLY 44 HA1 GLY 44 -0.048 4.174 2.073 295 2HA GLY 44 HA2 GLY 44 0.073 5.609 3.071 296 H LEU 45 HN LEU 45 2.275 3.468 1.112 297 HA LEU 45 HA LEU 45 3.726 5.864 0.302 298 1HB LEU 45 HB2 LEU 45 4.327 2.916 0.065 299 2HB LEU 45 HB3 LEU 45 5.310 4.168 -0.669 300 HG LEU 45 HG LEU 45 5.253 5.070 1.889 301 1HD1 LEU 45 HD11 LEU 45 5.639 3.104 3.374 302 2HD1 LEU 45 HD12 LEU 45 3.964 3.259 2.791 303 3HD1 LEU 45 HD13 LEU 45 5.052 2.053 2.063 304 1HD2 LEU 45 HD21 LEU 45 7.491 3.970 2.138 305 2HD2 LEU 45 HD22 LEU 45 7.165 3.094 0.623 306 3HD2 LEU 45 HD23 LEU 45 7.266 4.872 0.620 307 HA PRO 46 HA PRO 46 2.354 5.214 -3.912 308 1HB PRO 46 HB2 PRO 46 4.458 6.313 -5.265 309 2HB PRO 46 HB3 PRO 46 3.086 7.248 -4.705 310 1HG PRO 46 HG2 PRO 46 5.822 7.123 -3.593 311 2HG PRO 46 HG3 PRO 46 4.584 8.335 -3.329 312 1HD PRO 46 HD2 PRO 46 5.356 6.248 -1.519 313 2HD PRO 46 HD3 PRO 46 4.042 7.387 -1.306 314 H GLU 47 HN GLU 47 2.898 3.917 -5.840 315 HA GLU 47 HA GLU 47 3.679 1.535 -4.573 316 1HB GLU 47 HB2 GLU 47 2.930 0.441 -6.584 317 2HB GLU 47 HB3 GLU 47 1.839 1.782 -6.296 318 1HG GLU 47 HG2 GLU 47 3.298 3.176 -7.886 319 2HG GLU 47 HG3 GLU 47 4.149 1.698 -8.287 320 HE2 GLU 47 HE2 GLU 47 1.123 3.130 -8.145 321 H ASN 48 HN ASN 48 5.389 3.976 -6.329 322 HA ASN 48 HA ASN 48 7.225 2.324 -7.639 323 1HB ASN 48 HB2 ASN 48 8.524 4.426 -7.949 324 2HB ASN 48 HB3 ASN 48 6.824 4.704 -8.273 325 1HD2 ASN 48 HD21 ASN 48 8.482 7.281 -5.962 326 2HD2 ASN 48 HD22 ASN 48 9.002 6.503 -7.419 327 H ALA 49 HN ALA 49 6.857 3.606 -4.358 328 HA ALA 49 HA ALA 49 9.622 3.133 -3.659 329 1HB ALA 49 HB1 ALA 49 7.183 4.005 -2.056 330 2HB ALA 49 HB2 ALA 49 8.843 3.916 -1.420 331 3HB ALA 49 HB3 ALA 49 8.450 5.063 -2.723 332 H LYS 50 HN LYS 50 10.079 0.939 -3.799 333 HA LYS 50 HA LYS 50 8.253 -1.051 -3.036 334 1HB LYS 50 HB2 LYS 50 10.095 -1.408 -4.621 335 2HB LYS 50 HB3 LYS 50 11.269 -1.155 -3.345 336 1HG LYS 50 HG2 LYS 50 9.160 -3.202 -2.773 337 2HG LYS 50 HG3 LYS 50 10.292 -3.617 -4.044 338 1HD LYS 50 HD2 LYS 50 12.205 -3.239 -2.527 339 2HD LYS 50 HD3 LYS 50 11.131 -2.675 -1.262 340 1HE LYS 50 HE2 LYS 50 9.993 -4.947 -1.290 341 2HE LYS 50 HE3 LYS 50 11.189 -5.490 -2.450 342 1HZ LYS 50 HZ1 LYS 50 12.924 -4.976 -0.796 343 2HZ LYS 50 HZ2 LYS 50 11.802 -4.499 0.283 344 H VAL 51 HN VAL 51 7.751 -1.948 -1.080 345 HA VAL 51 HA VAL 51 9.679 -1.498 1.084 346 HB VAL 51 HB VAL 51 7.919 -1.126 2.642 347 1HG1 VAL 51 HG11 VAL 51 7.209 1.029 2.008 348 2HG1 VAL 51 HG12 VAL 51 8.723 0.772 1.108 349 3HG1 VAL 51 HG13 VAL 51 7.156 0.601 0.281 350 1HG2 VAL 51 HG21 VAL 51 6.039 -1.722 0.340 351 2HG2 VAL 51 HG22 VAL 51 6.196 -2.593 1.884 352 3HG2 VAL 51 HG23 VAL 51 5.520 -0.947 1.856 353 H SER 52 HN SER 52 9.937 -3.274 2.533 354 HA SER 52 HA SER 52 9.008 -5.770 1.525 355 1HB SER 52 HB2 SER 52 11.238 -5.616 2.525 356 2HB SER 52 HB3 SER 52 10.572 -5.008 4.028 357 HG SER 52 HG SER 52 11.098 -7.338 4.029 358 H ASP 53 HN ASP 53 7.338 -7.070 2.382 359 HA ASP 53 HA ASP 53 6.053 -5.986 4.765 360 1HB ASP 53 HB2 ASP 53 3.963 -7.091 3.963 361 2HB ASP 53 HB3 ASP 53 4.537 -5.872 2.843 362 HD2 ASP 53 HD2 ASP 53 5.751 -8.784 0.827 363 H SER 54 HN SER 54 8.360 -7.737 4.824 364 HA SER 54 HA SER 54 7.142 -10.326 5.383 365 1HB SER 54 HB2 SER 54 9.295 -11.346 4.488 366 2HB SER 54 HB3 SER 54 8.266 -10.601 3.281 367 HG SER 54 HG SER 54 9.625 -8.715 3.321 368 H ALA 55 HN ALA 55 7.636 -8.220 7.300 369 HA ALA 55 HA ALA 55 8.465 -8.003 9.342 370 1HB ALA 55 HB1 ALA 55 7.503 -10.293 9.505 371 2HB ALA 55 HB2 ALA 55 9.084 -10.971 9.048 372 3HB ALA 55 HB3 ALA 55 8.908 -10.074 10.575 373 H THR 56 HN THR 56 10.172 -7.004 7.460 374 HA THR 56 HA THR 56 12.290 -6.382 7.156 375 HB THR 56 HB THR 56 12.556 -7.300 10.067 376 HG1 THR 56 HG1 THR 56 11.737 -4.809 8.743 377 1HG2 THR 56 HG21 THR 56 13.993 -5.204 8.361 378 2HG2 THR 56 HG22 THR 56 14.048 -5.218 10.140 379 3HG2 THR 56 HG23 THR 56 14.733 -6.578 9.219 380 H ASN 57 HN ASN 57 12.173 -8.414 5.671 381 HA ASN 57 HA ASN 57 13.708 -10.610 6.434 382 1HB ASN 57 HB2 ASN 57 13.848 -11.035 3.952 383 2HB ASN 57 HB3 ASN 57 12.211 -10.696 4.478 384 1HD2 ASN 57 HD21 ASN 57 13.431 -8.717 1.402 385 2HD2 ASN 57 HD22 ASN 57 13.668 -10.362 1.891 386 H ILE 58 HN ILE 58 14.395 -7.384 5.024 387 HA ILE 58 HA ILE 58 17.163 -8.004 4.544 388 HB ILE 58 HB ILE 58 15.503 -5.497 4.339 389 1HG1 ILE 58 HG12 ILE 58 16.912 -6.776 2.039 390 2HG1 ILE 58 HG13 ILE 58 15.498 -7.594 2.674 391 1HG2 ILE 58 HG21 ILE 58 17.679 -4.747 4.983 392 2HG2 ILE 58 HG22 ILE 58 18.467 -5.866 3.845 393 3HG2 ILE 58 HG23 ILE 58 17.512 -4.497 3.228 394 1HD1 ILE 58 HD11 ILE 58 15.559 -4.650 1.867 395 2HD1 ILE 58 HD12 ILE 58 14.939 -5.970 0.847 396 3HD1 ILE 58 HD13 ILE 58 14.127 -5.574 2.381 397 H CYS 59 HN CYS 59 18.933 -7.477 5.870 398 HA CYS 59 HA CYS 59 19.726 -7.882 7.893 399 1HB CYS 59 HB2 CYS 59 18.339 -5.236 8.285 400 2HB CYS 59 HB3 CYS 59 19.292 -5.975 9.556 401 H GLY 60 HN GLY 60 17.694 -9.613 7.555 402 1HA GLY 60 HA1 GLY 60 17.190 -10.561 10.003 403 2HA GLY 60 HA2 GLY 60 15.858 -9.442 9.798 Start of MODEL 14 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -0.954 0.414 3 1HB LYS 1 HB2 LYS 1 3.067 -0.080 -1.429 4 2HB LYS 1 HB3 LYS 1 1.550 -0.716 -2.032 5 1HG LYS 1 HG2 LYS 1 0.606 1.650 -1.955 6 2HG LYS 1 HG3 LYS 1 2.207 2.224 -1.531 7 1HD LYS 1 HD2 LYS 1 3.076 1.098 -3.661 8 2HD LYS 1 HD3 LYS 1 1.409 0.779 -4.098 9 1HE LYS 1 HE2 LYS 1 0.936 3.264 -3.931 10 2HE LYS 1 HE3 LYS 1 2.638 3.535 -3.617 11 1HZ LYS 1 HZ1 LYS 1 2.962 2.229 -5.815 12 2HZ LYS 1 HZ2 LYS 1 1.396 2.567 -6.109 13 H ASP 2 HN ASP 2 3.782 0.191 1.123 14 HA ASP 2 HA ASP 2 2.962 2.599 2.549 15 1HB ASP 2 HB2 ASP 2 5.026 0.506 3.380 16 2HB ASP 2 HB3 ASP 2 4.560 1.906 4.325 17 HD2 ASP 2 HD2 ASP 2 2.745 -0.986 5.590 18 H GLY 3 HN GLY 3 4.727 4.224 2.881 19 1HA GLY 3 HA1 GLY 3 7.347 4.069 2.333 20 2HA GLY 3 HA2 GLY 3 6.669 4.251 0.728 21 H TYR 4 HN TYR 4 7.835 6.345 0.652 22 HA TYR 4 HA TYR 4 6.542 8.420 2.272 23 1HB TYR 4 HB2 TYR 4 8.978 8.542 0.399 24 2HB TYR 4 HB3 TYR 4 8.586 9.684 1.669 25 HD1 TYR 4 HD1 TYR 4 8.689 8.862 4.107 26 HD2 TYR 4 HD2 TYR 4 10.378 6.690 0.830 27 HE1 TYR 4 HE1 TYR 4 10.168 7.566 5.718 28 HE2 TYR 4 HE2 TYR 4 11.851 5.402 2.453 29 HH TYR 4 HH TYR 4 12.329 5.012 4.525 30 HA PRO 5 HA PRO 5 4.375 9.175 -1.445 31 1HB PRO 5 HB2 PRO 5 2.495 10.875 -0.424 32 2HB PRO 5 HB3 PRO 5 2.340 9.130 -0.369 33 1HG PRO 5 HG2 PRO 5 3.027 10.998 1.816 34 2HG PRO 5 HG3 PRO 5 2.457 9.345 1.924 35 1HD PRO 5 HD2 PRO 5 5.149 10.261 2.302 36 2HD PRO 5 HD3 PRO 5 4.599 8.597 2.295 37 H VAL 6 HN VAL 6 4.574 10.510 -3.170 38 HA VAL 6 HA VAL 6 5.422 13.227 -2.477 39 HB VAL 6 HB VAL 6 7.108 13.164 -4.210 40 1HG1 VAL 6 HG11 VAL 6 7.539 10.749 -2.432 41 2HG1 VAL 6 HG12 VAL 6 8.758 11.874 -3.078 42 3HG1 VAL 6 HG13 VAL 6 7.609 12.424 -1.834 43 1HG2 VAL 6 HG21 VAL 6 6.137 11.594 -5.769 44 2HG2 VAL 6 HG22 VAL 6 7.744 11.001 -5.283 45 3HG2 VAL 6 HG23 VAL 6 6.278 10.269 -4.589 46 H ASP 7 HN ASP 7 4.387 14.807 -3.643 47 HA ASP 7 HA ASP 7 3.523 14.352 -6.257 48 1HB ASP 7 HB2 ASP 7 1.003 14.959 -5.386 49 2HB ASP 7 HB3 ASP 7 1.534 13.332 -5.762 50 HD2 ASP 7 HD2 ASP 7 1.190 14.313 -1.879 51 H SER 8 HN SER 8 1.979 16.111 -3.457 52 HA SER 8 HA SER 8 2.019 18.487 -5.031 53 1HB SER 8 HB2 SER 8 0.740 19.448 -3.090 54 2HB SER 8 HB3 SER 8 0.015 17.999 -3.757 55 HG SER 8 HG SER 8 0.099 17.980 -1.407 56 H LYS 9 HN LYS 9 3.747 17.073 -2.259 57 HA LYS 9 HA LYS 9 4.890 19.560 -1.431 58 1HB LYS 9 HB2 LYS 9 6.049 18.251 0.208 59 2HB LYS 9 HB3 LYS 9 4.395 17.680 0.117 60 1HG LYS 9 HG2 LYS 9 5.555 16.046 -1.756 61 2HG LYS 9 HG3 LYS 9 6.927 16.306 -0.697 62 1HD LYS 9 HD2 LYS 9 5.914 14.436 0.298 63 2HD LYS 9 HD3 LYS 9 5.245 15.745 1.250 64 1HE LYS 9 HE2 LYS 9 3.170 15.729 -0.059 65 2HE LYS 9 HE3 LYS 9 3.844 14.584 -1.203 66 1HZ LYS 9 HZ1 LYS 9 2.455 13.457 0.436 67 2HZ LYS 9 HZ2 LYS 9 3.993 12.954 0.618 68 H GLY 10 HN GLY 10 5.537 17.139 -3.868 69 1HA GLY 10 HA1 GLY 10 7.128 17.266 -5.522 70 2HA GLY 10 HA2 GLY 10 7.985 18.509 -4.634 71 H CYS 11 HN CYS 11 9.018 17.743 -2.452 72 HA CYS 11 HA CYS 11 10.244 15.146 -3.032 73 1HB CYS 11 HB2 CYS 11 11.712 17.630 -2.123 74 2HB CYS 11 HB3 CYS 11 12.415 16.056 -2.439 75 H LYS 12 HN LYS 12 8.718 14.299 -1.331 76 HA LYS 12 HA LYS 12 8.912 13.153 0.551 77 1HB LYS 12 HB2 LYS 12 11.561 14.267 0.223 78 2HB LYS 12 HB3 LYS 12 11.154 14.182 1.925 79 1HG LYS 12 HG2 LYS 12 12.153 12.057 1.297 80 2HG LYS 12 HG3 LYS 12 10.450 11.776 1.600 81 1HD LYS 12 HD2 LYS 12 9.933 11.595 -0.722 82 2HD LYS 12 HD3 LYS 12 11.409 12.404 -1.211 83 1HE LYS 12 HE2 LYS 12 12.708 10.420 -0.230 84 2HE LYS 12 HE3 LYS 12 11.171 9.606 -0.013 85 1HZ LYS 12 HZ1 LYS 12 10.797 9.911 -2.447 86 2HZ LYS 12 HZ2 LYS 12 12.298 10.524 -2.603 87 H LEU 13 HN LEU 13 9.209 13.662 3.170 88 HA LEU 13 HA LEU 13 7.581 16.038 3.597 89 1HB LEU 13 HB2 LEU 13 6.037 14.315 2.813 90 2HB LEU 13 HB3 LEU 13 6.600 13.218 4.058 91 HG LEU 13 HG LEU 13 5.676 14.604 5.805 92 1HD1 LEU 13 HD11 LEU 13 5.124 16.572 3.583 93 2HD1 LEU 13 HD12 LEU 13 4.279 16.630 5.148 94 3HD1 LEU 13 HD13 LEU 13 6.048 16.814 5.085 95 1HD2 LEU 13 HD21 LEU 13 3.313 14.377 5.338 96 2HD2 LEU 13 HD22 LEU 13 3.633 14.283 3.590 97 3HD2 LEU 13 HD23 LEU 13 4.195 12.984 4.668 98 H SER 14 HN SER 14 8.941 16.963 5.099 99 HA SER 14 HA SER 14 10.580 15.310 6.664 100 1HB SER 14 HB2 SER 14 10.033 18.307 6.728 101 2HB SER 14 HB3 SER 14 11.242 17.535 7.735 102 HG SER 14 HG SER 14 11.166 17.482 4.837 103 H CYS 15 HN CYS 15 9.484 14.022 8.171 104 HA CYS 15 HA CYS 15 7.435 15.098 9.813 105 1HB CYS 15 HB2 CYS 15 7.545 12.985 10.999 106 2HB CYS 15 HB3 CYS 15 7.475 12.742 9.265 107 H VAL 16 HN VAL 16 7.617 15.805 12.009 108 HA VAL 16 HA VAL 16 10.377 16.073 12.981 109 HB VAL 16 HB VAL 16 9.525 17.925 14.338 110 1HG1 VAL 16 HG11 VAL 16 9.222 19.547 12.527 111 2HG1 VAL 16 HG12 VAL 16 10.493 18.370 12.119 112 3HG1 VAL 16 HG13 VAL 16 8.878 18.225 11.385 113 1HG2 VAL 16 HG21 VAL 16 7.162 17.063 14.472 114 2HG2 VAL 16 HG22 VAL 16 7.306 18.801 14.118 115 3HG2 VAL 16 HG23 VAL 16 6.918 17.657 12.812 116 H ALA 17 HN ALA 17 7.600 14.193 13.201 117 HA ALA 17 HA ALA 17 8.301 13.022 15.662 118 1HB ALA 17 HB1 ALA 17 6.353 13.764 16.992 119 2HB ALA 17 HB2 ALA 17 7.417 15.131 16.581 120 3HB ALA 17 HB3 ALA 17 5.895 14.889 15.691 121 H ASN 18 HN ASN 18 6.610 11.334 16.289 122 HA ASN 18 HA ASN 18 5.993 10.025 13.875 123 1HB ASN 18 HB2 ASN 18 5.564 9.396 16.827 124 2HB ASN 18 HB3 ASN 18 4.905 8.340 15.594 125 1HD2 ASN 18 HD21 ASN 18 8.801 8.200 16.660 126 2HD2 ASN 18 HD22 ASN 18 7.593 9.167 17.436 127 H ASN 19 HN ASN 19 4.174 11.645 16.541 128 HA ASN 19 HA ASN 19 1.640 10.898 15.697 129 1HB ASN 19 HB2 ASN 19 0.915 12.945 17.055 130 2HB ASN 19 HB3 ASN 19 1.939 11.821 17.926 131 1HD2 ASN 19 HD21 ASN 19 3.033 15.672 17.286 132 2HD2 ASN 19 HD22 ASN 19 1.527 14.988 16.774 133 H TYR 20 HN TYR 20 3.883 13.581 14.865 134 HA TYR 20 HA TYR 20 2.033 15.170 13.464 135 1HB TYR 20 HB2 TYR 20 4.271 15.908 14.310 136 2HB TYR 20 HB3 TYR 20 5.073 14.685 13.344 137 HD1 TYR 20 HD1 TYR 20 3.485 17.988 13.314 138 HD2 TYR 20 HD2 TYR 20 5.328 14.967 10.909 139 HE1 TYR 20 HE1 TYR 20 3.758 19.656 11.415 140 HE2 TYR 20 HE2 TYR 20 5.594 16.645 9.018 141 HH TYR 20 HH TYR 20 4.457 19.993 9.406 142 H CYS 21 HN CYS 21 4.217 12.471 12.489 143 HA CYS 21 HA CYS 21 3.649 12.668 9.751 144 1HB CYS 21 HB2 CYS 21 5.573 11.467 10.401 145 2HB CYS 21 HB3 CYS 21 4.675 10.446 11.507 146 H ASP 22 HN ASP 22 2.222 10.734 12.496 147 HA ASP 22 HA ASP 22 1.030 8.937 10.784 148 1HB ASP 22 HB2 ASP 22 1.509 8.583 13.229 149 2HB ASP 22 HB3 ASP 22 0.214 9.694 13.630 150 HD2 ASP 22 HD2 ASP 22 -0.979 6.209 12.027 151 H ASN 23 HN ASN 23 -0.246 11.822 12.585 152 HA ASN 23 HA ASN 23 -2.902 11.380 11.928 153 1HB ASN 23 HB2 ASN 23 -3.302 13.435 13.012 154 2HB ASN 23 HB3 ASN 23 -1.744 13.003 13.689 155 1HD2 ASN 23 HD21 ASN 23 0.167 15.404 11.907 156 2HD2 ASN 23 HD22 ASN 23 0.172 13.929 12.815 157 H GLN 24 HN GLN 24 -0.156 12.904 10.263 158 HA GLN 24 HA GLN 24 -1.814 14.433 8.522 159 1HB GLN 24 HB2 GLN 24 0.407 15.255 9.251 160 2HB GLN 24 HB3 GLN 24 1.187 13.887 8.482 161 1HG GLN 24 HG2 GLN 24 0.690 14.658 6.293 162 2HG GLN 24 HG3 GLN 24 -0.627 15.676 6.841 163 1HE2 GLN 24 HE21 GLN 24 3.292 16.887 7.519 164 2HE2 GLN 24 HE22 GLN 24 2.842 15.215 7.531 165 H CYS 25 HN CYS 25 -0.143 11.293 8.523 166 HA CYS 25 HA CYS 25 -0.314 10.879 5.740 167 1HB CYS 25 HB2 CYS 25 0.032 8.978 8.062 168 2HB CYS 25 HB3 CYS 25 0.038 8.462 6.388 169 H LYS 26 HN LYS 26 -2.336 10.002 8.619 170 HA LYS 26 HA LYS 26 -4.048 8.348 7.052 171 1HB LYS 26 HB2 LYS 26 -5.084 7.801 9.075 172 2HB LYS 26 HB3 LYS 26 -3.409 8.068 9.512 173 1HG LYS 26 HG2 LYS 26 -3.940 10.370 10.270 174 2HG LYS 26 HG3 LYS 26 -5.605 10.178 9.757 175 1HD LYS 26 HD2 LYS 26 -5.484 9.793 12.167 176 2HD LYS 26 HD3 LYS 26 -5.872 8.277 11.378 177 1HE LYS 26 HE2 LYS 26 -3.637 7.432 11.646 178 2HE LYS 26 HE3 LYS 26 -2.988 9.019 12.005 179 1HZ LYS 26 HZ1 LYS 26 -3.277 7.729 14.037 180 2HZ LYS 26 HZ2 LYS 26 -4.290 9.003 14.083 181 H MET 27 HN MET 27 -3.726 11.724 7.475 182 HA MET 27 HA MET 27 -6.277 12.608 7.730 183 1HB MET 27 HB2 MET 27 -4.156 13.995 7.633 184 2HB MET 27 HB3 MET 27 -4.073 13.720 5.904 185 1HG MET 27 HG2 MET 27 -5.998 15.046 5.464 186 2HG MET 27 HG3 MET 27 -6.594 14.906 7.106 187 1HE MET 27 HE1 MET 27 -3.047 17.508 5.735 188 2HE MET 27 HE2 MET 27 -2.943 15.731 5.766 189 3HE MET 27 HE3 MET 27 -4.103 16.536 4.682 190 H LYS 28 HN LYS 28 -4.667 11.194 4.876 191 HA LYS 28 HA LYS 28 -7.108 10.797 3.532 192 1HB LYS 28 HB2 LYS 28 -6.712 12.321 1.610 193 2HB LYS 28 HB3 LYS 28 -7.108 13.154 3.100 194 1HG LYS 28 HG2 LYS 28 -4.530 13.342 3.469 195 2HG LYS 28 HG3 LYS 28 -4.377 12.880 1.786 196 1HD LYS 28 HD2 LYS 28 -5.889 14.805 1.157 197 2HD LYS 28 HD3 LYS 28 -5.935 15.288 2.841 198 1HE LYS 28 HE2 LYS 28 -4.202 16.641 2.010 199 2HE LYS 28 HE3 LYS 28 -3.303 15.291 2.675 200 1HZ LYS 28 HZ1 LYS 28 -2.615 15.865 0.383 201 2HZ LYS 28 HZ2 LYS 28 -3.155 14.331 0.464 202 H LYS 29 HN LYS 29 -3.533 11.256 3.301 203 HA LYS 29 HA LYS 29 -3.211 9.953 0.888 204 1HB LYS 29 HB2 LYS 29 -1.387 10.495 3.225 205 2HB LYS 29 HB3 LYS 29 -0.821 9.583 1.841 206 1HG LYS 29 HG2 LYS 29 -2.248 12.221 1.402 207 2HG LYS 29 HG3 LYS 29 -0.564 12.223 1.886 208 1HD LYS 29 HD2 LYS 29 0.164 11.219 -0.107 209 2HD LYS 29 HD3 LYS 29 -1.368 10.416 -0.392 210 1HE LYS 29 HE2 LYS 29 -1.135 12.226 -2.015 211 2HE LYS 29 HE3 LYS 29 -2.420 12.647 -0.901 212 1HZ LYS 29 HZ1 LYS 29 -0.941 14.526 -1.184 213 2HZ LYS 29 HZ2 LYS 29 -0.769 13.994 0.346 214 H ALA 30 HN ALA 30 -3.365 8.632 4.253 215 HA ALA 30 HA ALA 30 -2.964 5.964 3.130 216 1HB ALA 30 HB1 ALA 30 -1.308 6.858 5.484 217 2HB ALA 30 HB2 ALA 30 -0.998 5.556 4.311 218 3HB ALA 30 HB3 ALA 30 -0.773 7.256 3.834 219 H SER 31 HN SER 31 -2.817 4.463 5.397 220 HA SER 31 HA SER 31 -5.214 5.195 6.829 221 1HB SER 31 HB2 SER 31 -4.832 2.879 7.896 222 2HB SER 31 HB3 SER 31 -5.233 2.910 6.190 223 HG SER 31 HG SER 31 -2.480 2.937 7.018 224 H GLY 32 HN GLY 32 -1.692 5.023 7.151 225 1HA GLY 32 HA1 GLY 32 -1.796 6.423 9.669 226 2HA GLY 32 HA2 GLY 32 -1.222 4.774 9.808 227 H GLY 33 HN GLY 33 0.749 6.212 10.555 228 1HA GLY 33 HA1 GLY 33 2.723 5.631 8.629 229 2HA GLY 33 HA2 GLY 33 2.454 7.362 8.665 230 H HIS 34 HN HIS 34 4.937 6.242 9.450 231 HA HIS 34 HA HIS 34 4.906 7.365 12.134 232 1HB HIS 34 HB2 HIS 34 6.341 4.817 11.342 233 2HB HIS 34 HB3 HIS 34 6.671 5.712 12.812 234 HD1 HIS 34 HD1 HIS 34 4.113 6.238 14.142 235 HD2 HIS 34 HD2 HIS 34 4.687 2.736 11.906 236 HE1 HIS 34 HE1 HIS 34 2.379 4.563 14.979 237 H CYS 35 HN CYS 35 7.259 8.034 12.765 238 HA CYS 35 HA CYS 35 8.056 9.600 10.464 239 1HB CYS 35 HB2 CYS 35 7.500 10.830 12.451 240 2HB CYS 35 HB3 CYS 35 8.609 9.880 13.421 241 H TYR 36 HN TYR 36 9.603 8.554 9.210 242 HA TYR 36 HA TYR 36 11.862 7.349 10.633 243 1HB TYR 36 HB2 TYR 36 10.392 6.490 8.506 244 2HB TYR 36 HB3 TYR 36 11.456 7.562 7.616 245 HD1 TYR 36 HD1 TYR 36 11.644 4.790 10.141 246 HD2 TYR 36 HD2 TYR 36 13.439 6.700 6.760 247 HE1 TYR 36 HE1 TYR 36 13.409 2.963 10.037 248 HE2 TYR 36 HE2 TYR 36 15.198 4.867 6.667 249 HH TYR 36 HH TYR 36 15.933 3.037 7.532 250 H ALA 37 HN ALA 37 14.090 7.860 9.729 251 HA ALA 37 HA ALA 37 14.490 10.553 10.258 252 1HB ALA 37 HB1 ALA 37 16.840 10.050 9.628 253 2HB ALA 37 HB2 ALA 37 16.147 8.793 10.680 254 3HB ALA 37 HB3 ALA 37 16.308 8.500 8.932 255 H MET 38 HN MET 38 13.929 8.789 7.224 256 HA MET 38 HA MET 38 14.981 10.832 5.588 257 1HB MET 38 HB2 MET 38 13.116 8.452 5.084 258 2HB MET 38 HB3 MET 38 13.701 9.476 3.788 259 1HG MET 38 HG2 MET 38 16.025 8.877 4.258 260 2HG MET 38 HG3 MET 38 15.571 8.050 5.735 261 1HE MET 38 HE1 MET 38 16.862 5.981 5.016 262 2HE MET 38 HE2 MET 38 16.569 5.031 3.539 263 3HE MET 38 HE3 MET 38 17.323 6.640 3.428 264 H SER 39 HN SER 39 11.701 9.929 6.776 265 HA SER 39 HA SER 39 10.616 12.419 6.410 266 1HB SER 39 HB2 SER 39 10.638 10.738 3.959 267 2HB SER 39 HB3 SER 39 9.060 11.378 4.372 268 HG SER 39 HG SER 39 11.479 12.955 4.110 269 H CYS 40 HN CYS 40 8.026 12.206 6.385 270 HA CYS 40 HA CYS 40 7.151 10.313 8.206 271 1HB CYS 40 HB2 CYS 40 5.893 12.304 7.827 272 2HB CYS 40 HB3 CYS 40 5.681 11.933 6.127 273 H TYR 41 HN TYR 41 7.527 8.126 7.809 274 HA TYR 41 HA TYR 41 7.048 6.998 5.215 275 1HB TYR 41 HB2 TYR 41 8.713 6.180 6.963 276 2HB TYR 41 HB3 TYR 41 7.386 5.869 8.065 277 HD1 TYR 41 HD1 TYR 41 8.715 4.874 4.714 278 HD2 TYR 41 HD2 TYR 41 6.342 3.766 8.097 279 HE1 TYR 41 HE1 TYR 41 8.499 2.511 3.798 280 HE2 TYR 41 HE2 TYR 41 6.134 1.408 7.170 281 HH TYR 41 HH TYR 41 6.682 0.040 5.598 282 H CYS 42 HN CYS 42 4.930 7.137 4.505 283 HA CYS 42 HA CYS 42 2.842 6.885 6.478 284 1HB CYS 42 HB2 CYS 42 2.791 7.583 3.537 285 2HB CYS 42 HB3 CYS 42 1.357 7.459 4.536 286 H GLU 43 HN GLU 43 0.932 5.366 5.976 287 HA GLU 43 HA GLU 43 2.059 2.897 4.944 288 1HB GLU 43 HB2 GLU 43 1.165 3.423 7.802 289 2HB GLU 43 HB3 GLU 43 1.235 1.800 7.145 290 1HG GLU 43 HG2 GLU 43 3.640 2.064 6.636 291 2HG GLU 43 HG3 GLU 43 3.597 3.737 7.155 292 HE2 GLU 43 HE2 GLU 43 3.929 0.867 9.871 293 H GLY 44 HN GLY 44 0.558 1.830 3.725 294 1HA GLY 44 HA1 GLY 44 -1.467 0.862 3.276 295 2HA GLY 44 HA2 GLY 44 -2.207 1.750 4.593 296 H LEU 45 HN LEU 45 -0.410 2.670 1.557 297 HA LEU 45 HA LEU 45 -2.509 4.610 1.006 298 1HB LEU 45 HB2 LEU 45 0.193 4.093 -0.236 299 2HB LEU 45 HB3 LEU 45 -0.950 5.272 -0.846 300 HG LEU 45 HG LEU 45 -0.823 6.080 1.731 301 1HD1 LEU 45 HD11 LEU 45 1.881 4.853 1.134 302 2HD1 LEU 45 HD12 LEU 45 1.565 6.029 2.432 303 3HD1 LEU 45 HD13 LEU 45 0.770 4.436 2.461 304 1HD2 LEU 45 HD21 LEU 45 1.065 6.848 -0.512 305 2HD2 LEU 45 HD22 LEU 45 -0.548 7.527 -0.185 306 3HD2 LEU 45 HD23 LEU 45 0.783 7.800 0.966 307 HA PRO 46 HA PRO 46 -3.997 2.164 -2.387 308 1HB PRO 46 HB2 PRO 46 -5.055 4.128 -3.964 309 2HB PRO 46 HB3 PRO 46 -5.934 3.381 -2.646 310 1HG PRO 46 HG2 PRO 46 -4.686 6.058 -2.758 311 2HG PRO 46 HG3 PRO 46 -5.905 5.461 -1.650 312 1HD PRO 46 HD2 PRO 46 -3.114 5.821 -1.098 313 2HD PRO 46 HD3 PRO 46 -4.311 5.116 -0.030 314 H GLU 47 HN GLU 47 -3.663 1.777 -4.748 315 HA GLU 47 HA GLU 47 -0.858 1.778 -4.752 316 1HB GLU 47 HB2 GLU 47 -1.049 0.307 -6.654 317 2HB GLU 47 HB3 GLU 47 -2.356 -0.096 -5.558 318 1HG GLU 47 HG2 GLU 47 -3.840 1.503 -6.937 319 2HG GLU 47 HG3 GLU 47 -2.539 1.564 -8.109 320 HE2 GLU 47 HE2 GLU 47 -1.823 -0.389 -8.835 321 H ASN 48 HN ASN 48 -3.222 3.982 -5.971 322 HA ASN 48 HA ASN 48 -1.893 4.633 -8.368 323 1HB ASN 48 HB2 ASN 48 -3.568 6.428 -8.540 324 2HB ASN 48 HB3 ASN 48 -4.362 4.977 -7.962 325 1HD2 ASN 48 HD21 ASN 48 -4.135 8.385 -5.720 326 2HD2 ASN 48 HD22 ASN 48 -3.353 8.197 -7.255 327 H ALA 49 HN ALA 49 -1.538 5.442 -4.990 328 HA ALA 49 HA ALA 49 -0.584 8.120 -5.422 329 1HB ALA 49 HB1 ALA 49 -1.909 7.479 -3.429 330 2HB ALA 49 HB2 ALA 49 -0.620 6.351 -2.943 331 3HB ALA 49 HB3 ALA 49 -0.304 8.102 -2.977 332 H LYS 50 HN LYS 50 1.488 8.695 -5.871 333 HA LYS 50 HA LYS 50 3.373 6.573 -6.235 334 1HB LYS 50 HB2 LYS 50 3.210 8.303 -7.904 335 2HB LYS 50 HB3 LYS 50 3.490 9.561 -6.717 336 1HG LYS 50 HG2 LYS 50 5.587 9.176 -7.874 337 2HG LYS 50 HG3 LYS 50 5.765 8.550 -6.247 338 1HD LYS 50 HD2 LYS 50 5.414 6.256 -7.008 339 2HD LYS 50 HD3 LYS 50 4.951 6.798 -8.609 340 1HE LYS 50 HE2 LYS 50 7.268 6.018 -8.688 341 2HE LYS 50 HE3 LYS 50 7.254 7.752 -8.938 342 1HZ LYS 50 HZ1 LYS 50 7.942 8.096 -6.684 343 2HZ LYS 50 HZ2 LYS 50 7.705 6.540 -6.267 344 H VAL 51 HN VAL 51 4.760 5.810 -4.736 345 HA VAL 51 HA VAL 51 5.606 7.702 -2.653 346 HB VAL 51 HB VAL 51 5.582 5.961 -1.048 347 1HG1 VAL 51 HG11 VAL 51 3.403 7.061 -1.571 348 2HG1 VAL 51 HG12 VAL 51 3.010 5.692 -2.638 349 3HG1 VAL 51 HG13 VAL 51 3.231 5.425 -0.892 350 1HG2 VAL 51 HG21 VAL 51 4.962 4.093 -3.355 351 2HG2 VAL 51 HG22 VAL 51 6.393 4.086 -2.297 352 3HG2 VAL 51 HG23 VAL 51 4.800 3.638 -1.641 353 H SER 52 HN SER 52 7.877 7.378 -1.897 354 HA SER 52 HA SER 52 9.373 5.539 -3.558 355 1HB SER 52 HB2 SER 52 10.600 7.534 -3.191 356 2HB SER 52 HB3 SER 52 10.118 7.641 -1.510 357 HG SER 52 HG SER 52 12.003 5.803 -2.699 358 H ASP 53 HN ASP 53 10.196 3.559 -2.769 359 HA ASP 53 HA ASP 53 9.962 3.119 0.077 360 1HB ASP 53 HB2 ASP 53 9.055 0.808 -0.343 361 2HB ASP 53 HB3 ASP 53 7.934 2.084 -0.774 362 HD2 ASP 53 HD2 ASP 53 10.057 -0.219 -1.935 363 H SER 54 HN SER 54 12.269 3.746 -1.499 364 HA SER 54 HA SER 54 13.736 1.295 -1.203 365 1HB SER 54 HB2 SER 54 14.807 1.608 -3.495 366 2HB SER 54 HB3 SER 54 13.150 1.038 -3.511 367 HG SER 54 HG SER 54 13.381 2.723 -5.049 368 H ALA 55 HN ALA 55 13.757 3.601 0.409 369 HA ALA 55 HA ALA 55 15.171 5.020 1.351 370 1HB ALA 55 HB1 ALA 55 17.266 3.459 -0.216 371 2HB ALA 55 HB2 ALA 55 17.558 4.459 1.228 372 3HB ALA 55 HB3 ALA 55 16.583 2.975 1.355 373 H THR 56 HN THR 56 13.823 6.209 -0.682 374 HA THR 56 HA THR 56 13.883 8.130 -1.798 375 HB THR 56 HB THR 56 16.638 8.370 -0.475 376 HG1 THR 56 HG1 THR 56 14.794 8.007 0.967 377 1HG2 THR 56 HG21 THR 56 14.672 10.468 -1.538 378 2HG2 THR 56 HG22 THR 56 16.108 10.830 -0.551 379 3HG2 THR 56 HG23 THR 56 16.299 10.145 -2.183 380 H ASN 57 HN ASN 57 13.776 6.965 -3.810 381 HA ASN 57 HA ASN 57 16.299 7.100 -5.241 382 1HB ASN 57 HB2 ASN 57 15.115 5.795 -7.010 383 2HB ASN 57 HB3 ASN 57 15.016 4.978 -5.463 384 1HD2 ASN 57 HD21 ASN 57 11.560 5.345 -4.982 385 2HD2 ASN 57 HD22 ASN 57 13.091 4.783 -4.399 386 H ILE 58 HN ILE 58 14.288 9.335 -4.330 387 HA ILE 58 HA ILE 58 14.113 10.568 -6.984 388 HB ILE 58 HB ILE 58 12.056 11.384 -5.056 389 1HG1 ILE 58 HG12 ILE 58 11.972 8.600 -6.256 390 2HG1 ILE 58 HG13 ILE 58 12.096 8.988 -4.552 391 1HG2 ILE 58 HG21 ILE 58 10.790 11.753 -6.945 392 2HG2 ILE 58 HG22 ILE 58 12.439 11.991 -7.570 393 3HG2 ILE 58 HG23 ILE 58 11.587 10.458 -7.870 394 1HD1 ILE 58 HD11 ILE 58 9.767 9.684 -6.398 395 2HD1 ILE 58 HD12 ILE 58 9.763 8.487 -5.081 396 3HD1 ILE 58 HD13 ILE 58 9.900 10.221 -4.707 397 H CYS 59 HN CYS 59 13.199 13.118 -6.016 398 HA CYS 59 HA CYS 59 15.756 14.118 -5.886 399 1HB CYS 59 HB2 CYS 59 14.542 16.295 -5.244 400 2HB CYS 59 HB3 CYS 59 14.224 15.563 -6.804 401 H GLY 60 HN GLY 60 13.277 13.526 -3.332 402 1HA GLY 60 HA1 GLY 60 13.480 13.279 -1.107 403 2HA GLY 60 HA2 GLY 60 15.204 13.058 -1.337 Start of MODEL 15 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.038 -0.066 3 1HB LYS 1 HB2 LYS 1 1.456 0.379 -2.124 4 2HB LYS 1 HB3 LYS 1 1.801 1.793 -1.148 5 1HG LYS 1 HG2 LYS 1 4.025 0.846 -0.536 6 2HG LYS 1 HG3 LYS 1 3.680 -0.596 -1.471 7 1HD LYS 1 HD2 LYS 1 3.344 0.971 -3.505 8 2HD LYS 1 HD3 LYS 1 4.032 2.245 -2.518 9 1HE LYS 1 HE2 LYS 1 6.053 0.698 -2.125 10 2HE LYS 1 HE3 LYS 1 5.382 -0.362 -3.348 11 1HZ LYS 1 HZ1 LYS 1 5.410 1.611 -4.877 12 2HZ LYS 1 HZ2 LYS 1 6.220 2.457 -3.745 13 H ASP 2 HN ASP 2 2.682 -1.250 1.909 14 HA ASP 2 HA ASP 2 2.760 1.173 3.530 15 1HB ASP 2 HB2 ASP 2 2.523 -1.730 4.455 16 2HB ASP 2 HB3 ASP 2 2.632 -0.344 5.522 17 HD2 ASP 2 HD2 ASP 2 0.777 -1.832 5.914 18 H GLY 3 HN GLY 3 4.703 1.316 4.980 19 1HA GLY 3 HA1 GLY 3 6.673 -0.384 5.486 20 2HA GLY 3 HA2 GLY 3 7.038 0.013 3.818 21 H TYR 4 HN TYR 4 9.031 1.063 4.447 22 HA TYR 4 HA TYR 4 8.616 3.614 5.845 23 1HB TYR 4 HB2 TYR 4 11.209 2.146 5.091 24 2HB TYR 4 HB3 TYR 4 11.033 3.391 6.312 25 HD1 TYR 4 HD1 TYR 4 9.460 2.808 8.339 26 HD2 TYR 4 HD2 TYR 4 11.192 -0.103 5.725 27 HE1 TYR 4 HE1 TYR 4 9.139 1.014 10.112 28 HE2 TYR 4 HE2 TYR 4 10.866 -1.887 7.507 29 HH TYR 4 HH TYR 4 10.127 -2.343 9.479 30 HA PRO 5 HA PRO 5 8.961 5.043 1.720 31 1HB PRO 5 HB2 PRO 5 7.957 7.553 2.124 32 2HB PRO 5 HB3 PRO 5 6.946 6.152 1.830 33 1HG PRO 5 HG2 PRO 5 7.440 7.580 4.371 34 2HG PRO 5 HG3 PRO 5 6.140 6.476 3.967 35 1HD PRO 5 HD2 PRO 5 8.448 5.898 5.570 36 2HD PRO 5 HD3 PRO 5 7.208 4.765 5.070 37 H VAL 6 HN VAL 6 10.605 5.807 0.518 38 HA VAL 6 HA VAL 6 12.220 7.894 1.660 39 HB VAL 6 HB VAL 6 13.009 5.893 2.847 40 1HG1 VAL 6 HG11 VAL 6 14.019 4.031 1.739 41 2HG1 VAL 6 HG12 VAL 6 12.425 4.283 0.989 42 3HG1 VAL 6 HG13 VAL 6 13.898 4.827 0.151 43 1HG2 VAL 6 HG21 VAL 6 14.562 7.734 2.352 44 2HG2 VAL 6 HG22 VAL 6 15.395 6.161 2.350 45 3HG2 VAL 6 HG23 VAL 6 14.995 6.958 0.810 46 H ASP 7 HN ASP 7 12.818 9.179 -0.010 47 HA ASP 7 HA ASP 7 13.958 8.065 -2.303 48 1HB ASP 7 HB2 ASP 7 12.053 9.439 -3.720 49 2HB ASP 7 HB3 ASP 7 12.032 7.703 -3.482 50 HD2 ASP 7 HD2 ASP 7 8.959 7.911 -1.999 51 H SER 8 HN SER 8 11.784 10.916 -1.597 52 HA SER 8 HA SER 8 13.755 12.666 -2.683 53 1HB SER 8 HB2 SER 8 12.052 14.440 -2.166 54 2HB SER 8 HB3 SER 8 11.420 13.135 -3.151 55 HG SER 8 HG SER 8 9.971 13.725 -1.402 56 H LYS 9 HN LYS 9 12.501 11.676 0.516 57 HA LYS 9 HA LYS 9 13.730 13.902 1.852 58 1HB LYS 9 HB2 LYS 9 12.734 13.005 3.839 59 2HB LYS 9 HB3 LYS 9 11.551 12.930 2.548 60 1HG LYS 9 HG2 LYS 9 12.702 10.475 2.227 61 2HG LYS 9 HG3 LYS 9 12.989 10.697 3.941 62 1HD LYS 9 HD2 LYS 9 10.868 9.697 3.959 63 2HD LYS 9 HD3 LYS 9 10.445 11.395 4.035 64 1HE LYS 9 HE2 LYS 9 10.265 11.365 1.475 65 2HE LYS 9 HE3 LYS 9 10.451 9.625 1.549 66 1HZ LYS 9 HZ1 LYS 9 8.118 10.143 1.569 67 2HZ LYS 9 HZ2 LYS 9 8.477 9.602 3.062 68 H GLY 10 HN GLY 10 14.622 10.658 0.839 69 1HA GLY 10 HA1 GLY 10 16.865 10.272 0.403 70 2HA GLY 10 HA2 GLY 10 17.326 11.432 1.633 71 H CYS 11 HN CYS 11 16.135 10.683 3.950 72 HA CYS 11 HA CYS 11 16.947 7.890 4.271 73 1HB CYS 11 HB2 CYS 11 17.841 10.291 5.849 74 2HB CYS 11 HB3 CYS 11 17.824 8.693 6.567 75 H LYS 12 HN LYS 12 16.143 7.167 6.649 76 HA LYS 12 HA LYS 12 13.364 7.223 6.221 77 1HB LYS 12 HB2 LYS 12 14.965 6.062 8.521 78 2HB LYS 12 HB3 LYS 12 13.288 5.705 8.160 79 1HG LYS 12 HG2 LYS 12 15.688 5.128 6.362 80 2HG LYS 12 HG3 LYS 12 14.731 3.943 7.228 81 1HD LYS 12 HD2 LYS 12 12.699 4.994 5.879 82 2HD LYS 12 HD3 LYS 12 13.952 5.603 4.815 83 1HE LYS 12 HE2 LYS 12 13.524 2.670 5.564 84 2HE LYS 12 HE3 LYS 12 13.100 3.403 4.030 85 1HZ LYS 12 HZ1 LYS 12 15.287 2.270 3.988 86 2HZ LYS 12 HZ2 LYS 12 15.436 3.849 3.620 87 H LEU 13 HN LEU 13 11.661 7.951 7.658 88 HA LEU 13 HA LEU 13 12.386 10.317 9.150 89 1HB LEU 13 HB2 LEU 13 9.702 9.010 8.684 90 2HB LEU 13 HB3 LEU 13 9.972 10.571 9.432 91 HG LEU 13 HG LEU 13 10.765 9.907 6.585 92 1HD1 LEU 13 HD11 LEU 13 8.284 11.336 7.579 93 2HD1 LEU 13 HD12 LEU 13 8.784 11.160 5.880 94 3HD1 LEU 13 HD13 LEU 13 8.343 9.722 6.832 95 1HD2 LEU 13 HD21 LEU 13 12.087 11.709 7.392 96 2HD2 LEU 13 HD22 LEU 13 10.806 12.418 6.380 97 3HD2 LEU 13 HD23 LEU 13 10.681 12.492 8.154 98 H SER 14 HN SER 14 13.229 10.088 11.151 99 HA SER 14 HA SER 14 12.709 7.662 12.565 100 1HB SER 14 HB2 SER 14 14.332 8.597 14.221 101 2HB SER 14 HB3 SER 14 14.972 8.572 12.590 102 HG SER 14 HG SER 14 13.796 10.879 13.894 103 H CYS 15 HN CYS 15 10.522 7.694 13.246 104 HA CYS 15 HA CYS 15 9.281 9.896 14.401 105 1HB CYS 15 HB2 CYS 15 7.680 8.234 15.319 106 2HB CYS 15 HB3 CYS 15 7.948 8.115 13.591 107 H VAL 16 HN VAL 16 9.293 10.705 16.521 108 HA VAL 16 HA VAL 16 11.447 9.587 18.148 109 HB VAL 16 HB VAL 16 11.372 11.991 17.250 110 1HG1 VAL 16 HG11 VAL 16 9.513 12.375 19.617 111 2HG1 VAL 16 HG12 VAL 16 10.113 13.619 18.494 112 3HG1 VAL 16 HG13 VAL 16 8.982 12.371 17.918 113 1HG2 VAL 16 HG21 VAL 16 11.794 11.486 20.215 114 2HG2 VAL 16 HG22 VAL 16 12.984 11.215 18.919 115 3HG2 VAL 16 HG23 VAL 16 12.436 12.867 19.294 116 H ALA 17 HN ALA 17 8.093 9.445 17.850 117 HA ALA 17 HA ALA 17 7.802 8.519 20.552 118 1HB ALA 17 HB1 ALA 17 5.974 10.119 21.090 119 2HB ALA 17 HB2 ALA 17 7.545 10.932 20.895 120 3HB ALA 17 HB3 ALA 17 6.335 11.009 19.592 121 H ASN 18 HN ASN 18 5.414 7.743 20.857 122 HA ASN 18 HA ASN 18 5.293 5.795 18.924 123 1HB ASN 18 HB2 ASN 18 3.193 6.666 20.977 124 2HB ASN 18 HB3 ASN 18 3.102 5.168 20.073 125 1HD2 ASN 18 HD21 ASN 18 5.498 5.594 23.343 126 2HD2 ASN 18 HD22 ASN 18 4.444 6.825 22.729 127 H ASN 19 HN ASN 19 3.408 8.821 19.471 128 HA ASN 19 HA ASN 19 1.389 8.097 17.636 129 1HB ASN 19 HB2 ASN 19 0.617 10.477 18.001 130 2HB ASN 19 HB3 ASN 19 0.874 9.611 19.502 131 1HD2 ASN 19 HD21 ASN 19 2.914 12.989 18.604 132 2HD2 ASN 19 HD22 ASN 19 1.721 12.274 17.571 133 H TYR 20 HN TYR 20 4.605 9.496 17.410 134 HA TYR 20 HA TYR 20 3.982 11.808 15.991 135 1HB TYR 20 HB2 TYR 20 6.081 11.071 17.360 136 2HB TYR 20 HB3 TYR 20 6.549 10.106 15.974 137 HD1 TYR 20 HD1 TYR 20 6.270 13.504 17.325 138 HD2 TYR 20 HD2 TYR 20 7.341 11.170 13.903 139 HE1 TYR 20 HE1 TYR 20 7.460 15.513 16.318 140 HE2 TYR 20 HE2 TYR 20 8.528 13.186 12.908 141 HH TYR 20 HH TYR 20 9.087 15.250 13.166 142 H CYS 21 HN CYS 21 4.760 8.485 14.914 143 HA CYS 21 HA CYS 21 5.507 9.132 12.320 144 1HB CYS 21 HB2 CYS 21 5.999 6.982 13.293 145 2HB CYS 21 HB3 CYS 21 4.295 6.610 13.464 146 H ASP 22 HN ASP 22 2.324 8.575 13.911 147 HA ASP 22 HA ASP 22 0.973 7.858 11.626 148 1HB ASP 22 HB2 ASP 22 0.189 7.547 14.000 149 2HB ASP 22 HB3 ASP 22 -0.111 9.270 14.109 150 HD2 ASP 22 HD2 ASP 22 -0.920 6.492 12.417 151 H ASN 23 HN ASN 23 1.162 11.028 13.414 152 HA ASN 23 HA ASN 23 -0.471 12.380 11.606 153 1HB ASN 23 HB2 ASN 23 0.640 14.453 12.715 154 2HB ASN 23 HB3 ASN 23 -0.218 13.359 13.781 155 1HD2 ASN 23 HD21 ASN 23 3.869 13.812 13.929 156 2HD2 ASN 23 HD22 ASN 23 2.873 14.532 12.708 157 H GLN 24 HN GLN 24 3.024 11.678 11.842 158 HA GLN 24 HA GLN 24 3.881 13.694 10.112 159 1HB GLN 24 HB2 GLN 24 5.382 12.541 11.701 160 2HB GLN 24 HB3 GLN 24 5.166 11.027 10.847 161 1HG GLN 24 HG2 GLN 24 6.235 11.938 8.832 162 2HG GLN 24 HG3 GLN 24 6.298 13.541 9.536 163 1HE2 GLN 24 HE21 GLN 24 9.585 12.891 10.460 164 2HE2 GLN 24 HE22 GLN 24 8.484 13.749 9.434 165 H CYS 25 HN CYS 25 2.663 10.369 9.638 166 HA CYS 25 HA CYS 25 3.612 10.226 6.952 167 1HB CYS 25 HB2 CYS 25 1.733 8.466 8.538 168 2HB CYS 25 HB3 CYS 25 2.234 8.131 6.892 169 H LYS 26 HN LYS 26 0.470 10.769 8.675 170 HA LYS 26 HA LYS 26 -0.989 10.752 6.216 171 1HB LYS 26 HB2 LYS 26 -2.894 10.799 7.536 172 2HB LYS 26 HB3 LYS 26 -1.745 9.951 8.552 173 1HG LYS 26 HG2 LYS 26 -1.181 12.377 9.474 174 2HG LYS 26 HG3 LYS 26 -2.741 12.802 8.798 175 1HD LYS 26 HD2 LYS 26 -2.229 10.582 10.834 176 2HD LYS 26 HD3 LYS 26 -2.948 12.141 11.184 177 1HE LYS 26 HE2 LYS 26 -4.119 10.032 9.305 178 2HE LYS 26 HE3 LYS 26 -4.686 10.373 10.928 179 1HZ LYS 26 HZ1 LYS 26 -5.006 12.754 10.058 180 2HZ LYS 26 HZ2 LYS 26 -4.865 12.131 8.560 181 H MET 27 HN MET 27 0.948 13.048 7.881 182 HA MET 27 HA MET 27 -0.106 15.435 7.346 183 1HB MET 27 HB2 MET 27 2.262 14.840 8.148 184 2HB MET 27 HB3 MET 27 2.699 14.545 6.477 185 1HG MET 27 HG2 MET 27 1.757 16.991 6.066 186 2HG MET 27 HG3 MET 27 1.961 17.176 7.797 187 1HE MET 27 HE1 MET 27 4.560 15.284 8.375 188 2HE MET 27 HE2 MET 27 5.728 16.628 8.371 189 3HE MET 27 HE3 MET 27 4.108 16.858 9.073 190 H LYS 28 HN LYS 28 1.101 13.061 4.909 191 HA LYS 28 HA LYS 28 0.102 14.507 2.705 192 1HB LYS 28 HB2 LYS 28 1.823 16.128 3.313 193 2HB LYS 28 HB3 LYS 28 3.049 14.877 3.314 194 1HG LYS 28 HG2 LYS 28 1.478 14.955 0.803 195 2HG LYS 28 HG3 LYS 28 2.335 16.451 1.121 196 1HD LYS 28 HD2 LYS 28 4.462 15.167 1.431 197 2HD LYS 28 HD3 LYS 28 3.606 13.671 1.113 198 1HE LYS 28 HE2 LYS 28 3.020 14.459 -1.170 199 2HE LYS 28 HE3 LYS 28 3.792 16.001 -0.858 200 1HZ LYS 28 HZ1 LYS 28 5.174 13.370 -0.896 201 2HZ LYS 28 HZ2 LYS 28 5.309 14.532 -2.029 202 H LYS 29 HN LYS 29 2.706 12.315 3.951 203 HA LYS 29 HA LYS 29 3.268 11.226 1.453 204 1HB LYS 29 HB2 LYS 29 3.723 10.051 4.212 205 2HB LYS 29 HB3 LYS 29 4.493 9.512 2.733 206 1HG LYS 29 HG2 LYS 29 6.079 11.111 2.966 207 2HG LYS 29 HG3 LYS 29 4.850 12.356 2.853 208 1HD LYS 29 HD2 LYS 29 4.385 11.948 5.359 209 2HD LYS 29 HD3 LYS 29 5.834 10.964 5.381 210 1HE LYS 29 HE2 LYS 29 7.185 12.899 4.586 211 2HE LYS 29 HE3 LYS 29 5.741 13.888 4.494 212 1HZ LYS 29 HZ1 LYS 29 6.781 14.322 6.587 213 2HZ LYS 29 HZ2 LYS 29 5.459 13.438 6.941 214 H ALA 30 HN ALA 30 0.998 10.147 4.075 215 HA ALA 30 HA ALA 30 0.241 7.925 2.323 216 1HB ALA 30 HB1 ALA 30 0.854 6.303 3.866 217 2HB ALA 30 HB2 ALA 30 2.152 7.496 4.111 218 3HB ALA 30 HB3 ALA 30 0.779 7.430 5.242 219 H SER 31 HN SER 31 -1.590 6.614 3.748 220 HA SER 31 HA SER 31 -3.549 8.599 4.370 221 1HB SER 31 HB2 SER 31 -4.185 6.561 3.134 222 2HB SER 31 HB3 SER 31 -3.633 5.551 4.455 223 HG SER 31 HG SER 31 -5.821 7.449 4.536 224 H GLY 32 HN GLY 32 -1.414 6.267 6.042 225 1HA GLY 32 HA1 GLY 32 -1.936 7.570 8.578 226 2HA GLY 32 HA2 GLY 32 -2.486 5.909 8.476 227 H GLY 33 HN GLY 33 -0.827 5.599 10.247 228 1HA GLY 33 HA1 GLY 33 1.342 4.168 9.329 229 2HA GLY 33 HA2 GLY 33 1.947 5.786 9.621 230 H HIS 34 HN HIS 34 2.892 3.606 11.139 231 HA HIS 34 HA HIS 34 2.148 4.705 13.714 232 1HB HIS 34 HB2 HIS 34 2.032 2.508 14.775 233 2HB HIS 34 HB3 HIS 34 0.774 2.714 13.572 234 HD1 HIS 34 HD1 HIS 34 4.284 1.164 13.748 235 HD2 HIS 34 HD2 HIS 34 0.584 0.602 11.854 236 HE1 HIS 34 HE1 HIS 34 4.493 -0.989 12.394 237 H CYS 35 HN CYS 35 3.865 4.332 15.367 238 HA CYS 35 HA CYS 35 6.363 4.692 13.987 239 1HB CYS 35 HB2 CYS 35 5.704 6.295 15.684 240 2HB CYS 35 HB3 CYS 35 5.587 5.030 16.891 241 H TYR 36 HN TYR 36 6.759 2.447 13.288 242 HA TYR 36 HA TYR 36 7.368 0.489 15.264 243 1HB TYR 36 HB2 TYR 36 6.909 0.214 12.735 244 2HB TYR 36 HB3 TYR 36 8.434 1.019 12.420 245 HD1 TYR 36 HD1 TYR 36 10.390 -0.244 12.196 246 HD2 TYR 36 HD2 TYR 36 7.024 -1.954 14.209 247 HE1 TYR 36 HE1 TYR 36 11.589 -2.483 12.314 248 HE2 TYR 36 HE2 TYR 36 8.235 -4.187 14.320 249 HH TYR 36 HH TYR 36 11.503 -4.536 12.960 250 H ALA 37 HN ALA 37 9.617 -0.286 15.767 251 HA ALA 37 HA ALA 37 10.618 1.899 17.171 252 1HB ALA 37 HB1 ALA 37 12.306 0.260 17.968 253 2HB ALA 37 HB2 ALA 37 10.659 -0.412 17.995 254 3HB ALA 37 HB3 ALA 37 11.787 -0.873 16.698 255 H MET 38 HN MET 38 11.637 0.313 14.125 256 HA MET 38 HA MET 38 14.231 1.456 14.271 257 1HB MET 38 HB2 MET 38 13.337 -0.779 13.124 258 2HB MET 38 HB3 MET 38 12.955 0.266 11.770 259 1HG MET 38 HG2 MET 38 15.138 -0.434 11.232 260 2HG MET 38 HG3 MET 38 15.443 1.108 12.008 261 1HE MET 38 HE1 MET 38 17.941 0.349 12.418 262 2HE MET 38 HE2 MET 38 18.395 -1.159 13.246 263 3HE MET 38 HE3 MET 38 17.590 -1.223 11.660 264 H SER 39 HN SER 39 11.147 2.162 12.584 265 HA SER 39 HA SER 39 12.037 4.749 11.911 266 1HB SER 39 HB2 SER 39 11.823 2.667 9.699 267 2HB SER 39 HB3 SER 39 11.733 4.388 9.384 268 HG SER 39 HG SER 39 13.893 4.164 10.880 269 H CYS 40 HN CYS 40 10.255 5.983 10.751 270 HA CYS 40 HA CYS 40 7.754 5.307 11.782 271 1HB CYS 40 HB2 CYS 40 8.252 7.586 11.381 272 2HB CYS 40 HB3 CYS 40 8.649 7.294 9.700 273 H TYR 41 HN TYR 41 6.768 3.394 11.135 274 HA TYR 41 HA TYR 41 6.853 2.589 8.368 275 1HB TYR 41 HB2 TYR 41 6.858 1.074 10.444 276 2HB TYR 41 HB3 TYR 41 5.257 1.667 10.840 277 HD1 TYR 41 HD1 TYR 41 7.200 -0.401 8.471 278 HD2 TYR 41 HD2 TYR 41 3.294 0.855 9.685 279 HE1 TYR 41 HE1 TYR 41 6.160 -2.241 7.058 280 HE2 TYR 41 HE2 TYR 41 2.268 -0.989 8.268 281 HH TYR 41 HH TYR 41 4.344 -3.219 6.434 282 H CYS 42 HN CYS 42 5.670 3.803 6.943 283 HA CYS 42 HA CYS 42 3.235 5.022 7.907 284 1HB CYS 42 HB2 CYS 42 4.755 5.292 5.307 285 2HB CYS 42 HB3 CYS 42 3.244 6.114 5.646 286 H GLU 43 HN GLU 43 1.225 4.847 6.454 287 HA GLU 43 HA GLU 43 1.092 2.188 5.295 288 1HB GLU 43 HB2 GLU 43 -0.619 3.250 7.575 289 2HB GLU 43 HB3 GLU 43 -1.138 1.909 6.574 290 1HG GLU 43 HG2 GLU 43 0.938 0.653 7.165 291 2HG GLU 43 HG3 GLU 43 1.479 1.998 8.149 292 HE2 GLU 43 HE2 GLU 43 -0.890 -0.626 9.782 293 H GLY 44 HN GLY 44 -0.258 2.056 3.499 294 1HA GLY 44 HA1 GLY 44 -1.766 2.693 1.940 295 2HA GLY 44 HA2 GLY 44 -2.380 3.912 3.039 296 H LEU 45 HN LEU 45 0.793 3.286 1.358 297 HA LEU 45 HA LEU 45 0.979 6.109 0.749 298 1HB LEU 45 HB2 LEU 45 2.818 3.759 0.297 299 2HB LEU 45 HB3 LEU 45 3.164 5.381 -0.270 300 HG LEU 45 HG LEU 45 2.542 4.992 2.635 301 1HD1 LEU 45 HD11 LEU 45 4.118 3.179 2.111 302 2HD1 LEU 45 HD12 LEU 45 5.245 4.367 1.412 303 3HD1 LEU 45 HD13 LEU 45 4.852 4.427 3.147 304 1HD2 LEU 45 HD21 LEU 45 2.833 7.251 1.712 305 2HD2 LEU 45 HD22 LEU 45 4.089 6.849 2.908 306 3HD2 LEU 45 HD23 LEU 45 4.471 6.814 1.170 307 HA PRO 46 HA PRO 46 -0.042 5.468 -3.536 308 1HB PRO 46 HB2 PRO 46 1.277 7.588 -4.647 309 2HB PRO 46 HB3 PRO 46 -0.346 7.703 -3.997 310 1HG PRO 46 HG2 PRO 46 2.191 8.676 -2.832 311 2HG PRO 46 HG3 PRO 46 0.549 9.140 -2.430 312 1HD PRO 46 HD2 PRO 46 2.257 7.394 -0.926 313 2HD PRO 46 HD3 PRO 46 0.579 7.766 -0.587 314 H GLU 47 HN GLU 47 0.929 4.761 -5.580 315 HA GLU 47 HA GLU 47 2.822 2.935 -4.516 316 1HB GLU 47 HB2 GLU 47 1.431 3.150 -7.216 317 2HB GLU 47 HB3 GLU 47 2.549 1.858 -6.828 318 1HG GLU 47 HG2 GLU 47 1.127 1.239 -4.851 319 2HG GLU 47 HG3 GLU 47 0.000 2.512 -5.274 320 HE2 GLU 47 HE2 GLU 47 -0.858 2.404 -7.284 321 H ASN 48 HN ASN 48 2.996 5.920 -6.222 322 HA ASN 48 HA ASN 48 5.218 5.302 -7.833 323 1HB ASN 48 HB2 ASN 48 5.288 7.723 -8.269 324 2HB ASN 48 HB3 ASN 48 3.614 7.204 -8.268 325 1HD2 ASN 48 HD21 ASN 48 5.086 9.850 -5.520 326 2HD2 ASN 48 HD22 ASN 48 6.076 9.033 -6.683 327 H ALA 49 HN ALA 49 4.685 6.043 -4.463 328 HA ALA 49 HA ALA 49 7.265 7.241 -4.021 329 1HB ALA 49 HB1 ALA 49 6.523 7.282 -1.678 330 2HB ALA 49 HB2 ALA 49 5.245 7.908 -2.747 331 3HB ALA 49 HB3 ALA 49 5.126 6.259 -2.089 332 H LYS 50 HN LYS 50 9.132 6.192 -3.487 333 HA LYS 50 HA LYS 50 9.060 3.321 -3.585 334 1HB LYS 50 HB2 LYS 50 10.767 4.672 -4.779 335 2HB LYS 50 HB3 LYS 50 11.394 5.228 -3.240 336 1HG LYS 50 HG2 LYS 50 11.100 2.259 -3.536 337 2HG LYS 50 HG3 LYS 50 12.329 3.009 -4.535 338 1HD LYS 50 HD2 LYS 50 13.372 4.043 -2.538 339 2HD LYS 50 HD3 LYS 50 12.102 3.403 -1.514 340 1HE LYS 50 HE2 LYS 50 12.787 1.057 -2.270 341 2HE LYS 50 HE3 LYS 50 14.155 1.783 -3.092 342 1HZ LYS 50 HZ1 LYS 50 14.857 2.710 -0.921 343 2HZ LYS 50 HZ2 LYS 50 13.616 1.964 -0.175 344 H VAL 51 HN VAL 51 9.397 1.880 -1.907 345 HA VAL 51 HA VAL 51 9.708 3.101 0.745 346 HB VAL 51 HB VAL 51 7.984 1.790 1.633 347 1HG1 VAL 51 HG11 VAL 51 6.970 2.682 -1.087 348 2HG1 VAL 51 HG12 VAL 51 6.008 2.460 0.394 349 3HG1 VAL 51 HG13 VAL 51 7.227 3.754 0.310 350 1HG2 VAL 51 HG21 VAL 51 6.719 0.112 0.208 351 2HG2 VAL 51 HG22 VAL 51 8.043 0.248 -0.974 352 3HG2 VAL 51 HG23 VAL 51 8.375 -0.350 0.670 353 H SER 52 HN SER 52 11.007 1.913 2.218 354 HA SER 52 HA SER 52 12.079 -0.567 1.165 355 1HB SER 52 HB2 SER 52 13.742 0.955 2.084 356 2HB SER 52 HB3 SER 52 12.831 1.147 3.569 357 HG SER 52 HG SER 52 14.639 -0.359 3.764 358 H ASP 53 HN ASP 53 11.993 -2.554 2.539 359 HA ASP 53 HA ASP 53 10.201 -2.262 4.817 360 1HB ASP 53 HB2 ASP 53 9.445 -4.599 4.439 361 2HB ASP 53 HB3 ASP 53 9.056 -3.571 3.075 362 HD2 ASP 53 HD2 ASP 53 12.005 -5.241 1.457 363 H SER 54 HN SER 54 13.206 -2.055 4.526 364 HA SER 54 HA SER 54 14.023 -4.660 5.558 365 1HB SER 54 HB2 SER 54 16.228 -4.185 4.347 366 2HB SER 54 HB3 SER 54 14.853 -4.546 3.322 367 HG SER 54 HG SER 54 14.594 -2.302 2.878 368 H ALA 55 HN ALA 55 13.236 -2.270 7.143 369 HA ALA 55 HA ALA 55 13.892 -1.638 9.159 370 1HB ALA 55 HB1 ALA 55 16.051 -3.751 8.770 371 2HB ALA 55 HB2 ALA 55 15.508 -3.076 10.325 372 3HB ALA 55 HB3 ALA 55 14.395 -4.060 9.345 373 H THR 56 HN THR 56 14.559 0.241 7.421 374 HA THR 56 HA THR 56 15.876 2.015 7.168 375 HB THR 56 HB THR 56 17.241 1.068 9.738 376 HG1 THR 56 HG1 THR 56 14.836 2.685 9.305 377 1HG2 THR 56 HG21 THR 56 18.194 3.156 8.799 378 2HG2 THR 56 HG22 THR 56 16.558 3.822 8.579 379 3HG2 THR 56 HG23 THR 56 17.193 3.546 10.218 380 H ASN 57 HN ASN 57 16.592 0.485 5.291 381 HA ASN 57 HA ASN 57 19.208 -0.557 5.590 382 1HB ASN 57 HB2 ASN 57 19.000 -0.950 3.090 383 2HB ASN 57 HB3 ASN 57 17.672 -1.626 4.011 384 1HD2 ASN 57 HD21 ASN 57 16.844 0.708 0.967 385 2HD2 ASN 57 HD22 ASN 57 18.234 -0.292 1.231 386 H ILE 58 HN ILE 58 17.699 2.500 4.731 387 HA ILE 58 HA ILE 58 20.291 3.506 3.788 388 HB ILE 58 HB ILE 58 17.482 4.517 3.349 389 1HG1 ILE 58 HG12 ILE 58 19.423 3.813 1.176 390 2HG1 ILE 58 HG13 ILE 58 18.599 2.518 2.020 391 1HG2 ILE 58 HG21 ILE 58 18.589 6.253 1.916 392 2HG2 ILE 58 HG22 ILE 58 18.838 6.453 3.668 393 3HG2 ILE 58 HG23 ILE 58 20.140 5.786 2.654 394 1HD1 ILE 58 HD11 ILE 58 16.402 3.495 1.478 395 2HD1 ILE 58 HD12 ILE 58 17.194 4.894 0.714 396 3HD1 ILE 58 HD13 ILE 58 17.352 3.277 -0.012 397 H CYS 59 HN CYS 59 21.132 5.482 4.757 398 HA CYS 59 HA CYS 59 22.057 6.021 6.690 399 1HB CYS 59 HB2 CYS 59 19.196 6.869 7.053 400 2HB CYS 59 HB3 CYS 59 20.375 7.142 8.321 401 H GLY 60 HN GLY 60 21.916 3.327 6.646 402 1HA GLY 60 HA1 GLY 60 20.441 2.224 8.845 403 2HA GLY 60 HA2 GLY 60 21.663 1.435 7.868 Start of MODEL 16 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.003 -0.274 3 1HB LYS 1 HB2 LYS 1 1.809 1.988 -0.759 4 2HB LYS 1 HB3 LYS 1 3.068 0.837 -1.159 5 1HG LYS 1 HG2 LYS 1 1.208 -0.373 -2.573 6 2HG LYS 1 HG3 LYS 1 0.322 1.132 -2.424 7 1HD LYS 1 HD2 LYS 1 3.085 0.749 -3.663 8 2HD LYS 1 HD3 LYS 1 1.609 1.188 -4.501 9 1HE LYS 1 HE2 LYS 1 1.564 3.263 -2.884 10 2HE LYS 1 HE3 LYS 1 3.243 2.874 -2.570 11 1HZ LYS 1 HZ1 LYS 1 2.080 3.463 -5.239 12 2HZ LYS 1 HZ2 LYS 1 3.105 4.417 -4.408 13 H ASP 2 HN ASP 2 3.840 -0.382 0.937 14 HA ASP 2 HA ASP 2 3.303 1.206 3.282 15 1HB ASP 2 HB2 ASP 2 4.592 -1.549 3.495 16 2HB ASP 2 HB3 ASP 2 4.180 -0.479 4.820 17 HD2 ASP 2 HD2 ASP 2 2.887 -2.259 2.289 18 H GLY 3 HN GLY 3 5.226 2.307 3.963 19 1HA GLY 3 HA1 GLY 3 7.822 1.705 3.730 20 2HA GLY 3 HA2 GLY 3 7.437 2.172 2.086 21 H TYR 4 HN TYR 4 8.633 4.120 2.052 22 HA TYR 4 HA TYR 4 7.909 6.074 4.130 23 1HB TYR 4 HB2 TYR 4 10.383 5.930 2.311 24 2HB TYR 4 HB3 TYR 4 10.226 6.870 3.782 25 HD1 TYR 4 HD1 TYR 4 9.866 5.510 5.997 26 HD2 TYR 4 HD2 TYR 4 11.409 3.829 2.378 27 HE1 TYR 4 HE1 TYR 4 10.905 3.602 7.318 28 HE2 TYR 4 HE2 TYR 4 12.443 1.927 3.711 29 HH TYR 4 HH TYR 4 11.693 1.460 7.063 30 HA PRO 5 HA PRO 5 6.089 7.734 0.527 31 1HB PRO 5 HB2 PRO 5 4.379 9.492 1.732 32 2HB PRO 5 HB3 PRO 5 4.006 7.795 1.507 33 1HG PRO 5 HG2 PRO 5 4.794 9.207 3.981 34 2HG PRO 5 HG3 PRO 5 4.019 7.645 3.808 35 1HD PRO 5 HD2 PRO 5 6.778 8.133 4.423 36 2HD PRO 5 HD3 PRO 5 6.028 6.575 4.136 37 H VAL 6 HN VAL 6 6.271 9.458 -0.915 38 HA VAL 6 HA VAL 6 7.283 11.899 0.336 39 HB VAL 6 HB VAL 6 8.620 12.100 -1.908 40 1HG1 VAL 6 HG11 VAL 6 10.604 11.221 -0.790 41 2HG1 VAL 6 HG12 VAL 6 9.579 12.101 0.368 42 3HG1 VAL 6 HG13 VAL 6 9.584 10.321 0.358 43 1HG2 VAL 6 HG21 VAL 6 9.466 10.032 -2.798 44 2HG2 VAL 6 HG22 VAL 6 8.600 9.085 -1.564 45 3HG2 VAL 6 HG23 VAL 6 7.687 9.956 -2.820 46 H ASP 7 HN ASP 7 6.046 13.632 -0.204 47 HA ASP 7 HA ASP 7 5.178 13.950 -2.852 48 1HB ASP 7 HB2 ASP 7 2.670 14.263 -1.816 49 2HB ASP 7 HB3 ASP 7 3.204 12.807 -2.631 50 HD2 ASP 7 HD2 ASP 7 3.179 12.583 1.379 51 H SER 8 HN SER 8 3.782 14.802 0.414 52 HA SER 8 HA SER 8 3.927 17.571 -0.318 53 1HB SER 8 HB2 SER 8 2.675 17.926 1.814 54 2HB SER 8 HB3 SER 8 1.886 16.773 0.756 55 HG SER 8 HG SER 8 3.374 16.272 3.169 56 H LYS 9 HN LYS 9 5.857 15.220 1.335 57 HA LYS 9 HA LYS 9 6.857 17.178 3.258 58 1HB LYS 9 HB2 LYS 9 7.771 15.202 4.431 59 2HB LYS 9 HB3 LYS 9 6.030 15.144 4.245 60 1HG LYS 9 HG2 LYS 9 7.512 13.904 1.987 61 2HG LYS 9 HG3 LYS 9 7.784 13.111 3.526 62 1HD LYS 9 HD2 LYS 9 4.961 13.813 2.660 63 2HD LYS 9 HD3 LYS 9 5.737 12.373 2.030 64 1HE LYS 9 HE2 LYS 9 6.126 11.541 4.342 65 2HE LYS 9 HE3 LYS 9 5.424 13.004 5.005 66 1HZ LYS 9 HZ1 LYS 9 3.774 11.236 4.915 67 2HZ LYS 9 HZ2 LYS 9 3.321 12.412 3.883 68 H GLY 10 HN GLY 10 7.590 15.650 0.240 69 1HA GLY 10 HA1 GLY 10 9.274 16.281 -1.163 70 2HA GLY 10 HA2 GLY 10 10.065 17.140 0.144 71 H CYS 11 HN CYS 11 11.001 15.662 1.972 72 HA CYS 11 HA CYS 11 11.952 13.155 0.830 73 1HB CYS 11 HB2 CYS 11 13.672 15.429 1.801 74 2HB CYS 11 HB3 CYS 11 14.244 13.773 1.827 75 H LYS 12 HN LYS 12 10.132 12.548 2.492 76 HA LYS 12 HA LYS 12 10.038 11.028 4.094 77 1HB LYS 12 HB2 LYS 12 12.925 11.379 3.743 78 2HB LYS 12 HB3 LYS 12 12.503 10.866 5.364 79 1HG LYS 12 HG2 LYS 12 12.832 8.897 3.920 80 2HG LYS 12 HG3 LYS 12 11.160 8.983 4.440 81 1HD LYS 12 HD2 LYS 12 10.372 9.437 2.316 82 2HD LYS 12 HD3 LYS 12 11.758 10.421 1.892 83 1HE LYS 12 HE2 LYS 12 13.096 8.525 1.333 84 2HE LYS 12 HE3 LYS 12 12.075 7.420 2.230 85 1HZ LYS 12 HZ1 LYS 12 10.308 7.830 0.575 86 2HZ LYS 12 HZ2 LYS 12 11.285 8.822 -0.269 87 H LEU 13 HN LEU 13 10.288 10.807 6.637 88 HA LEU 13 HA LEU 13 11.163 13.285 7.863 89 1HB LEU 13 HB2 LEU 13 9.217 13.221 9.437 90 2HB LEU 13 HB3 LEU 13 8.881 13.772 7.808 91 HG LEU 13 HG LEU 13 8.441 10.890 8.159 92 1HD1 LEU 13 HD11 LEU 13 7.797 11.460 10.394 93 2HD1 LEU 13 HD12 LEU 13 6.840 12.848 9.823 94 3HD1 LEU 13 HD13 LEU 13 6.319 11.189 9.440 95 1HD2 LEU 13 HD21 LEU 13 6.368 11.391 6.980 96 2HD2 LEU 13 HD22 LEU 13 6.664 13.136 7.167 97 3HD2 LEU 13 HD23 LEU 13 7.759 12.150 6.169 98 H SER 14 HN SER 14 12.177 12.939 9.898 99 HA SER 14 HA SER 14 13.533 10.532 9.683 100 1HB SER 14 HB2 SER 14 13.564 12.509 12.006 101 2HB SER 14 HB3 SER 14 14.801 11.317 11.658 102 HG SER 14 HG SER 14 15.265 12.409 9.663 103 H CYS 15 HN CYS 15 11.127 11.775 12.085 104 HA CYS 15 HA CYS 15 9.881 10.758 13.580 105 1HB CYS 15 HB2 CYS 15 8.980 8.743 13.137 106 2HB CYS 15 HB3 CYS 15 9.735 9.024 11.581 107 H VAL 16 HN VAL 16 10.426 10.559 15.746 108 HA VAL 16 HA VAL 16 12.691 8.807 16.368 109 HB VAL 16 HB VAL 16 12.154 11.327 17.912 110 1HG1 VAL 16 HG11 VAL 16 13.573 9.669 18.979 111 2HG1 VAL 16 HG12 VAL 16 14.603 9.572 17.531 112 3HG1 VAL 16 HG13 VAL 16 14.556 11.070 18.490 113 1HG2 VAL 16 HG21 VAL 16 13.861 11.058 15.418 114 2HG2 VAL 16 HG22 VAL 16 12.473 12.143 15.673 115 3HG2 VAL 16 HG23 VAL 16 13.985 12.405 16.575 116 H ALA 17 HN ALA 17 9.584 8.719 16.282 117 HA ALA 17 HA ALA 17 9.228 7.428 18.796 118 1HB ALA 17 HB1 ALA 17 8.998 9.639 19.683 119 2HB ALA 17 HB2 ALA 17 8.003 10.165 18.303 120 3HB ALA 17 HB3 ALA 17 7.345 9.009 19.486 121 H ASN 18 HN ASN 18 7.329 6.122 18.782 122 HA ASN 18 HA ASN 18 6.707 5.341 16.183 123 1HB ASN 18 HB2 ASN 18 5.419 4.623 18.869 124 2HB ASN 18 HB3 ASN 18 5.060 3.788 17.371 125 1HD2 ASN 18 HD21 ASN 18 8.031 1.938 17.171 126 2HD2 ASN 18 HD22 ASN 18 6.610 2.516 16.366 127 H ASN 19 HN ASN 19 4.928 7.093 18.809 128 HA ASN 19 HA ASN 19 2.457 7.075 17.590 129 1HB ASN 19 HB2 ASN 19 2.056 9.143 19.096 130 2HB ASN 19 HB3 ASN 19 2.572 7.683 19.917 131 1HD2 ASN 19 HD21 ASN 19 5.598 8.909 21.107 132 2HD2 ASN 19 HD22 ASN 19 4.481 7.595 20.953 133 H TYR 20 HN TYR 20 5.322 9.226 17.333 134 HA TYR 20 HA TYR 20 4.022 11.416 16.153 135 1HB TYR 20 HB2 TYR 20 6.283 11.409 17.258 136 2HB TYR 20 HB3 TYR 20 6.879 10.265 16.072 137 HD1 TYR 20 HD1 TYR 20 5.937 13.777 16.664 138 HD2 TYR 20 HD2 TYR 20 7.518 10.984 13.835 139 HE1 TYR 20 HE1 TYR 20 6.728 15.698 15.198 140 HE2 TYR 20 HE2 TYR 20 8.303 12.915 12.379 141 HH TYR 20 HH TYR 20 7.643 16.275 13.331 142 H CYS 21 HN CYS 21 5.576 8.461 14.810 143 HA CYS 21 HA CYS 21 5.289 9.284 12.124 144 1HB CYS 21 HB2 CYS 21 6.908 7.621 12.641 145 2HB CYS 21 HB3 CYS 21 5.723 6.599 13.430 146 H ASP 22 HN ASP 22 3.377 7.174 14.401 147 HA ASP 22 HA ASP 22 1.882 6.064 12.379 148 1HB ASP 22 HB2 ASP 22 2.169 5.195 14.743 149 2HB ASP 22 HB3 ASP 22 1.080 6.450 15.301 150 HD2 ASP 22 HD2 ASP 22 -1.431 4.124 14.977 151 H ASN 23 HN ASN 23 1.292 8.852 14.612 152 HA ASN 23 HA ASN 23 -1.404 9.113 13.965 153 1HB ASN 23 HB2 ASN 23 -1.345 11.058 15.343 154 2HB ASN 23 HB3 ASN 23 -0.049 10.073 15.993 155 1HD2 ASN 23 HD21 ASN 23 0.635 13.687 14.213 156 2HD2 ASN 23 HD22 ASN 23 -0.922 12.930 14.267 157 H GLN 24 HN GLN 24 1.642 10.228 12.527 158 HA GLN 24 HA GLN 24 0.388 12.353 11.085 159 1HB GLN 24 HB2 GLN 24 2.729 12.514 11.961 160 2HB GLN 24 HB3 GLN 24 3.215 11.225 10.879 161 1HG GLN 24 HG2 GLN 24 2.658 12.574 8.910 162 2HG GLN 24 HG3 GLN 24 1.933 13.819 9.908 163 1HE2 GLN 24 HE21 GLN 24 5.401 14.795 8.872 164 2HE2 GLN 24 HE22 GLN 24 3.959 14.284 8.059 165 H CYS 25 HN CYS 25 1.301 8.964 10.600 166 HA CYS 25 HA CYS 25 1.154 9.060 7.770 167 1HB CYS 25 HB2 CYS 25 1.046 6.748 9.716 168 2HB CYS 25 HB3 CYS 25 1.074 6.567 7.973 169 H LYS 26 HN LYS 26 -1.080 8.222 10.507 170 HA LYS 26 HA LYS 26 -2.823 6.820 8.755 171 1HB LYS 26 HB2 LYS 26 -4.023 6.244 10.700 172 2HB LYS 26 HB3 LYS 26 -2.339 6.282 11.181 173 1HG LYS 26 HG2 LYS 26 -2.604 8.504 12.183 174 2HG LYS 26 HG3 LYS 26 -4.229 8.652 11.542 175 1HD LYS 26 HD2 LYS 26 -4.354 8.020 13.908 176 2HD LYS 26 HD3 LYS 26 -4.954 6.697 12.929 177 1HE LYS 26 HE2 LYS 26 -2.882 5.451 13.176 178 2HE LYS 26 HE3 LYS 26 -2.055 6.833 13.868 179 1HZ LYS 26 HZ1 LYS 26 -3.528 6.695 15.796 180 2HZ LYS 26 HZ2 LYS 26 -4.353 5.450 15.148 181 H MET 27 HN MET 27 -2.400 10.157 9.609 182 HA MET 27 HA MET 27 -5.046 10.848 10.016 183 1HB MET 27 HB2 MET 27 -4.207 13.145 9.886 184 2HB MET 27 HB3 MET 27 -2.939 12.177 10.613 185 1HG MET 27 HG2 MET 27 -1.972 11.903 8.222 186 2HG MET 27 HG3 MET 27 -3.095 13.155 7.729 187 1HE MET 27 HE1 MET 27 -1.194 14.770 6.939 188 2HE MET 27 HE2 MET 27 0.264 15.116 7.900 189 3HE MET 27 HE3 MET 27 -0.045 13.464 7.315 190 H LYS 28 HN LYS 28 -3.269 10.167 7.075 191 HA LYS 28 HA LYS 28 -5.480 10.783 5.410 192 1HB LYS 28 HB2 LYS 28 -4.746 13.080 5.835 193 2HB LYS 28 HB3 LYS 28 -3.117 12.682 5.328 194 1HG LYS 28 HG2 LYS 28 -5.213 11.930 3.354 195 2HG LYS 28 HG3 LYS 28 -5.108 13.652 3.658 196 1HD LYS 28 HD2 LYS 28 -2.593 13.495 3.261 197 2HD LYS 28 HD3 LYS 28 -2.823 11.824 2.787 198 1HE LYS 28 HE2 LYS 28 -2.842 13.067 0.738 199 2HE LYS 28 HE3 LYS 28 -4.519 12.664 1.045 200 1HZ LYS 28 HZ1 LYS 28 -3.250 15.269 1.704 201 2HZ LYS 28 HZ2 LYS 28 -4.288 15.009 0.477 202 H LYS 29 HN LYS 29 -1.875 10.396 5.617 203 HA LYS 29 HA LYS 29 -1.669 9.734 2.898 204 1HB LYS 29 HB2 LYS 29 0.243 9.373 5.222 205 2HB LYS 29 HB3 LYS 29 0.668 9.073 3.549 206 1HG LYS 29 HG2 LYS 29 -0.566 11.729 4.346 207 2HG LYS 29 HG3 LYS 29 1.144 11.447 4.604 208 1HD LYS 29 HD2 LYS 29 1.508 11.014 2.224 209 2HD LYS 29 HD3 LYS 29 -0.215 11.023 1.904 210 1HE LYS 29 HE2 LYS 29 0.719 13.181 1.226 211 2HE LYS 29 HE3 LYS 29 -0.322 13.432 2.613 212 1HZ LYS 29 HZ1 LYS 29 2.034 14.464 2.631 213 2HZ LYS 29 HZ2 LYS 29 1.512 13.757 4.003 214 H ALA 30 HN ALA 30 -2.176 7.802 5.873 215 HA ALA 30 HA ALA 30 -2.125 5.374 4.260 216 1HB ALA 30 HB1 ALA 30 0.206 6.101 5.289 217 2HB ALA 30 HB2 ALA 30 -0.498 5.455 6.791 218 3HB ALA 30 HB3 ALA 30 -0.327 4.405 5.364 219 H SER 31 HN SER 31 -2.478 3.442 6.064 220 HA SER 31 HA SER 31 -4.793 4.299 7.548 221 1HB SER 31 HB2 SER 31 -4.943 2.229 6.222 222 2HB SER 31 HB3 SER 31 -3.574 1.544 7.075 223 HG SER 31 HG SER 31 -6.141 2.241 8.225 224 H GLY 32 HN GLY 32 -1.436 3.156 7.999 225 1HA GLY 32 HA1 GLY 32 -1.516 4.163 10.729 226 2HA GLY 32 HA2 GLY 32 -1.163 2.455 10.551 227 H GLY 33 HN GLY 33 0.930 3.352 11.635 228 1HA GLY 33 HA1 GLY 33 2.928 3.064 9.643 229 2HA GLY 33 HA2 GLY 33 2.871 4.724 10.204 230 H HIS 34 HN HIS 34 5.141 3.066 10.643 231 HA HIS 34 HA HIS 34 5.138 3.355 13.530 232 1HB HIS 34 HB2 HIS 34 5.278 0.815 12.170 233 2HB HIS 34 HB3 HIS 34 6.801 1.127 12.980 234 HD1 HIS 34 HD1 HIS 34 3.219 1.903 14.133 235 HD2 HIS 34 HD2 HIS 34 6.617 -0.244 15.333 236 HE1 HIS 34 HE1 HIS 34 2.679 0.936 16.431 237 H CYS 35 HN CYS 35 7.420 3.564 14.388 238 HA CYS 35 HA CYS 35 8.726 5.313 12.486 239 1HB CYS 35 HB2 CYS 35 8.172 6.296 14.595 240 2HB CYS 35 HB3 CYS 35 8.949 4.998 15.481 241 H TYR 36 HN TYR 36 10.155 4.166 11.180 242 HA TYR 36 HA TYR 36 11.928 2.247 12.498 243 1HB TYR 36 HB2 TYR 36 10.529 1.956 10.255 244 2HB TYR 36 HB3 TYR 36 11.695 3.054 9.544 245 HD1 TYR 36 HD1 TYR 36 11.598 -0.132 11.527 246 HD2 TYR 36 HD2 TYR 36 13.576 2.163 8.506 247 HE1 TYR 36 HE1 TYR 36 13.160 -2.082 11.058 248 HE2 TYR 36 HE2 TYR 36 15.131 0.204 8.047 249 HH TYR 36 HH TYR 36 15.672 -1.818 8.554 250 H ALA 37 HN ALA 37 14.296 2.320 11.806 251 HA ALA 37 HA ALA 37 15.184 4.681 12.961 252 1HB ALA 37 HB1 ALA 37 16.693 2.545 11.399 253 2HB ALA 37 HB2 ALA 37 17.438 3.756 12.470 254 3HB ALA 37 HB3 ALA 37 16.342 2.526 13.144 255 H MET 38 HN MET 38 14.830 3.672 9.552 256 HA MET 38 HA MET 38 16.474 5.722 8.551 257 1HB MET 38 HB2 MET 38 14.293 3.958 7.313 258 2HB MET 38 HB3 MET 38 15.265 5.057 6.356 259 1HG MET 38 HG2 MET 38 16.533 2.951 8.160 260 2HG MET 38 HG3 MET 38 16.071 2.594 6.507 261 1HE MET 38 HE1 MET 38 19.084 2.479 7.796 262 2HE MET 38 HE2 MET 38 18.605 1.917 6.177 263 3HE MET 38 HE3 MET 38 19.976 3.037 6.361 264 H SER 39 HN SER 39 12.933 5.357 9.115 265 HA SER 39 HA SER 39 12.439 8.069 9.118 266 1HB SER 39 HB2 SER 39 12.376 6.769 6.429 267 2HB SER 39 HB3 SER 39 10.995 7.778 6.809 268 HG SER 39 HG SER 39 13.773 8.593 6.956 269 H CYS 40 HN CYS 40 9.924 8.468 8.914 270 HA CYS 40 HA CYS 40 8.499 6.574 10.345 271 1HB CYS 40 HB2 CYS 40 7.756 8.825 10.321 272 2HB CYS 40 HB3 CYS 40 7.637 8.856 8.573 273 H TYR 41 HN TYR 41 8.239 4.474 9.615 274 HA TYR 41 HA TYR 41 7.784 3.967 6.811 275 1HB TYR 41 HB2 TYR 41 9.112 2.505 8.440 276 2HB TYR 41 HB3 TYR 41 7.653 2.269 9.382 277 HD1 TYR 41 HD1 TYR 41 9.160 1.625 6.033 278 HD2 TYR 41 HD2 TYR 41 6.129 0.539 8.850 279 HE1 TYR 41 HE1 TYR 41 8.574 -0.411 4.628 280 HE2 TYR 41 HE2 TYR 41 5.553 -1.493 7.435 281 HH TYR 41 HH TYR 41 7.305 -2.137 4.408 282 H CYS 42 HN CYS 42 5.800 4.741 6.110 283 HA CYS 42 HA CYS 42 3.553 4.541 7.892 284 1HB CYS 42 HB2 CYS 42 3.875 5.710 5.124 285 2HB CYS 42 HB3 CYS 42 2.352 5.680 5.991 286 H GLU 43 HN GLU 43 1.454 3.508 7.081 287 HA GLU 43 HA GLU 43 2.152 1.106 5.604 288 1HB GLU 43 HB2 GLU 43 1.145 1.248 8.470 289 2HB GLU 43 HB3 GLU 43 0.958 -0.198 7.498 290 1HG GLU 43 HG2 GLU 43 3.405 -0.334 7.156 291 2HG GLU 43 HG3 GLU 43 3.637 1.179 8.010 292 HE2 GLU 43 HE2 GLU 43 3.190 -2.173 10.080 293 H GLY 44 HN GLY 44 0.585 0.674 4.110 294 1HA GLY 44 HA1 GLY 44 -1.547 0.146 3.452 295 2HA GLY 44 HA2 GLY 44 -2.200 0.886 4.900 296 H LEU 45 HN LEU 45 -0.186 1.972 2.063 297 HA LEU 45 HA LEU 45 -1.768 4.418 2.005 298 1HB LEU 45 HB2 LEU 45 0.815 3.605 0.672 299 2HB LEU 45 HB3 LEU 45 -0.014 5.113 0.343 300 HG LEU 45 HG LEU 45 0.152 5.283 3.037 301 1HD1 LEU 45 HD11 LEU 45 2.555 3.653 2.176 302 2HD1 LEU 45 HD12 LEU 45 2.439 4.558 3.705 303 3HD1 LEU 45 HD13 LEU 45 1.319 3.213 3.380 304 1HD2 LEU 45 HD21 LEU 45 2.287 6.092 1.044 305 2HD2 LEU 45 HD22 LEU 45 0.826 7.013 1.475 306 3HD2 LEU 45 HD23 LEU 45 2.102 6.749 2.688 307 HA PRO 46 HA PRO 46 -3.513 3.225 -1.918 308 1HB PRO 46 HB2 PRO 46 -4.055 5.697 -2.949 309 2HB PRO 46 HB3 PRO 46 -5.160 4.834 -1.898 310 1HG PRO 46 HG2 PRO 46 -3.424 7.142 -1.268 311 2HG PRO 46 HG3 PRO 46 -4.817 6.544 -0.389 312 1HD PRO 46 HD2 PRO 46 -2.060 6.179 0.312 313 2HD PRO 46 HD3 PRO 46 -3.448 5.485 1.125 314 H GLU 47 HN GLU 47 -3.051 3.332 -4.272 315 HA GLU 47 HA GLU 47 -0.277 2.845 -4.148 316 1HB GLU 47 HB2 GLU 47 -0.557 1.779 -6.280 317 2HB GLU 47 HB3 GLU 47 -2.011 1.434 -5.364 318 1HG GLU 47 HG2 GLU 47 -3.064 3.500 -6.505 319 2HG GLU 47 HG3 GLU 47 -1.669 3.515 -7.566 320 HE2 GLU 47 HE2 GLU 47 -4.471 0.714 -8.055 321 H ASN 48 HN ASN 48 -2.163 5.606 -4.925 322 HA ASN 48 HA ASN 48 -0.678 6.550 -7.098 323 1HB ASN 48 HB2 ASN 48 -1.853 8.705 -6.645 324 2HB ASN 48 HB3 ASN 48 -2.973 7.359 -6.569 325 1HD2 ASN 48 HD21 ASN 48 -3.100 9.843 -3.615 326 2HD2 ASN 48 HD22 ASN 48 -2.880 10.080 -5.316 327 H ALA 49 HN ALA 49 -0.302 6.559 -3.582 328 HA ALA 49 HA ALA 49 1.484 8.818 -3.546 329 1HB ALA 49 HB1 ALA 49 -0.086 8.362 -1.694 330 2HB ALA 49 HB2 ALA 49 0.703 6.793 -1.408 331 3HB ALA 49 HB3 ALA 49 1.602 8.305 -1.134 332 H LYS 50 HN LYS 50 3.630 8.722 -3.976 333 HA LYS 50 HA LYS 50 4.760 6.145 -4.536 334 1HB LYS 50 HB2 LYS 50 5.080 8.247 -5.918 335 2HB LYS 50 HB3 LYS 50 6.108 8.855 -4.637 336 1HG LYS 50 HG2 LYS 50 6.685 6.078 -5.636 337 2HG LYS 50 HG3 LYS 50 7.068 7.402 -6.717 338 1HD LYS 50 HD2 LYS 50 8.513 8.448 -5.040 339 2HD LYS 50 HD3 LYS 50 7.999 7.309 -3.812 340 1HE LYS 50 HE2 LYS 50 8.958 5.433 -5.252 341 2HE LYS 50 HE3 LYS 50 9.600 6.656 -6.330 342 1HZ LYS 50 HZ1 LYS 50 10.841 7.575 -4.416 343 2HZ LYS 50 HZ2 LYS 50 10.277 6.393 -3.449 344 H VAL 51 HN VAL 51 6.085 4.938 -3.257 345 HA VAL 51 HA VAL 51 7.144 6.264 -0.861 346 HB VAL 51 HB VAL 51 6.574 4.420 0.487 347 1HG1 VAL 51 HG11 VAL 51 4.175 4.420 0.444 348 2HG1 VAL 51 HG12 VAL 51 4.726 6.027 -0.087 349 3HG1 VAL 51 HG13 VAL 51 4.148 4.843 -1.284 350 1HG2 VAL 51 HG21 VAL 51 5.386 2.401 -0.455 351 2HG2 VAL 51 HG22 VAL 51 5.809 2.995 -2.078 352 3HG2 VAL 51 HG23 VAL 51 7.095 2.561 -0.926 353 H SER 52 HN SER 52 9.294 5.666 -0.292 354 HA SER 52 HA SER 52 10.572 3.747 -2.007 355 1HB SER 52 HB2 SER 52 12.006 5.530 -1.378 356 2HB SER 52 HB3 SER 52 11.469 5.505 0.290 357 HG SER 52 HG SER 52 13.420 4.482 0.398 358 H ASP 53 HN ASP 53 11.597 1.755 -1.115 359 HA ASP 53 HA ASP 53 10.634 1.009 1.506 360 1HB ASP 53 HB2 ASP 53 9.969 -1.244 0.683 361 2HB ASP 53 HB3 ASP 53 8.994 0.022 -0.036 362 HD2 ASP 53 HD2 ASP 53 11.245 -0.573 -3.015 363 H SER 54 HN SER 54 13.242 1.886 0.538 364 HA SER 54 HA SER 54 14.774 -0.443 1.142 365 1HB SER 54 HB2 SER 54 16.242 -0.072 -0.952 366 2HB SER 54 HB3 SER 54 14.710 -0.892 -1.184 367 HG SER 54 HG SER 54 15.138 0.820 -2.769 368 H ALA 55 HN ALA 55 14.773 1.428 2.911 369 HA ALA 55 HA ALA 55 16.103 2.757 4.077 370 1HB ALA 55 HB1 ALA 55 18.526 2.536 3.692 371 2HB ALA 55 HB2 ALA 55 17.721 0.953 3.576 372 3HB ALA 55 HB3 ALA 55 18.215 1.810 2.097 373 H THR 56 HN THR 56 14.489 4.181 2.396 374 HA THR 56 HA THR 56 14.305 6.383 2.068 375 HB THR 56 HB THR 56 17.323 6.681 2.383 376 HG1 THR 56 HG1 THR 56 16.846 6.530 4.669 377 1HG2 THR 56 HG21 THR 56 16.757 8.799 3.382 378 2HG2 THR 56 HG22 THR 56 15.726 8.691 1.935 379 3HG2 THR 56 HG23 THR 56 15.043 8.347 3.543 380 H ASN 57 HN ASN 57 17.530 5.570 0.600 381 HA ASN 57 HA ASN 57 18.347 6.414 -1.268 382 1HB ASN 57 HB2 ASN 57 17.240 5.399 -3.320 383 2HB ASN 57 HB3 ASN 57 17.528 4.241 -2.037 384 1HD2 ASN 57 HD21 ASN 57 14.183 3.537 -1.315 385 2HD2 ASN 57 HD22 ASN 57 15.843 3.417 -0.835 386 H ILE 58 HN ILE 58 16.924 8.501 -0.072 387 HA ILE 58 HA ILE 58 16.348 10.032 -2.413 388 HB ILE 58 HB ILE 58 14.170 8.832 -1.035 389 1HG1 ILE 58 HG12 ILE 58 13.996 11.001 -3.127 390 2HG1 ILE 58 HG13 ILE 58 14.581 9.396 -3.518 391 1HG2 ILE 58 HG21 ILE 58 14.227 11.852 -0.783 392 2HG2 ILE 58 HG22 ILE 58 12.827 10.799 -0.465 393 3HG2 ILE 58 HG23 ILE 58 14.281 10.679 0.556 394 1HD1 ILE 58 HD11 ILE 58 12.188 9.462 -3.960 395 2HD1 ILE 58 HD12 ILE 58 12.455 8.434 -2.532 396 3HD1 ILE 58 HD13 ILE 58 11.860 10.099 -2.330 397 H CYS 59 HN CYS 59 16.681 12.278 -2.030 398 HA CYS 59 HA CYS 59 18.250 13.631 -1.231 399 1HB CYS 59 HB2 CYS 59 16.345 13.355 1.089 400 2HB CYS 59 HB3 CYS 59 17.680 14.489 1.115 401 H GLY 60 HN GLY 60 19.422 11.184 -1.321 402 1HA GLY 60 HA1 GLY 60 20.977 9.832 -0.403 403 2HA GLY 60 HA2 GLY 60 21.108 10.930 0.957 Start of MODEL 17 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 0.546 -0.885 3 1HB LYS 1 HB2 LYS 1 1.467 1.704 1.323 4 2HB LYS 1 HB3 LYS 1 1.786 0.179 2.124 5 1HG LYS 1 HG2 LYS 1 4.029 0.055 1.167 6 2HG LYS 1 HG3 LYS 1 3.715 1.417 0.110 7 1HD LYS 1 HD2 LYS 1 4.687 2.673 1.751 8 2HD LYS 1 HD3 LYS 1 3.144 2.533 2.571 9 1HE LYS 1 HE2 LYS 1 5.549 0.686 2.949 10 2HE LYS 1 HE3 LYS 1 4.988 1.892 4.090 11 1HZ LYS 1 HZ1 LYS 1 3.681 -0.646 3.357 12 2HZ LYS 1 HZ2 LYS 1 3.997 -0.064 4.845 13 H ASP 2 HN ASP 2 3.498 -0.876 -1.349 14 HA ASP 2 HA ASP 2 3.031 -3.614 -0.554 15 1HB ASP 2 HB2 ASP 2 3.267 -2.851 -3.493 16 2HB ASP 2 HB3 ASP 2 2.847 -4.419 -2.831 17 HD2 ASP 2 HD2 ASP 2 -0.034 -1.996 -3.767 18 H GLY 3 HN GLY 3 4.957 -4.971 -0.985 19 1HA GLY 3 HA1 GLY 3 7.103 -4.636 -2.487 20 2HA GLY 3 HA2 GLY 3 7.405 -3.407 -1.274 21 H TYR 4 HN TYR 4 9.300 -4.596 -0.543 22 HA TYR 4 HA TYR 4 8.668 -7.099 0.848 23 1HB TYR 4 HB2 TYR 4 11.412 -5.817 0.497 24 2HB TYR 4 HB3 TYR 4 11.022 -7.525 0.538 25 HD1 TYR 4 HD1 TYR 4 11.881 -4.810 -1.552 26 HD2 TYR 4 HD2 TYR 4 9.556 -8.401 -1.490 27 HE1 TYR 4 HE1 TYR 4 11.916 -4.885 -4.093 28 HE2 TYR 4 HE2 TYR 4 9.599 -8.464 -4.031 29 HH TYR 4 HH TYR 4 9.955 -7.163 -5.855 30 HA PRO 5 HA PRO 5 8.770 -4.539 4.404 31 1HB PRO 5 HB2 PRO 5 7.688 -6.341 6.151 32 2HB PRO 5 HB3 PRO 5 6.720 -5.292 5.135 33 1HG PRO 5 HG2 PRO 5 7.252 -8.184 4.836 34 2HG PRO 5 HG3 PRO 5 5.981 -7.221 4.109 35 1HD PRO 5 HD2 PRO 5 8.365 -8.166 2.825 36 2HD PRO 5 HD3 PRO 5 7.152 -7.107 2.134 37 H VAL 6 HN VAL 6 10.339 -3.997 5.806 38 HA VAL 6 HA VAL 6 11.924 -6.241 6.795 39 HB VAL 6 HB VAL 6 13.989 -4.949 6.305 40 1HG1 VAL 6 HG11 VAL 6 12.379 -5.652 3.829 41 2HG1 VAL 6 HG12 VAL 6 14.152 -5.622 3.983 42 3HG1 VAL 6 HG13 VAL 6 13.201 -6.831 4.878 43 1HG2 VAL 6 HG21 VAL 6 12.135 -3.240 4.612 44 2HG2 VAL 6 HG22 VAL 6 13.018 -2.719 6.067 45 3HG2 VAL 6 HG23 VAL 6 13.913 -3.172 4.596 46 H ASP 7 HN ASP 7 12.480 -6.017 8.935 47 HA ASP 7 HA ASP 7 12.826 -3.475 10.070 48 1HB ASP 7 HB2 ASP 7 10.916 -4.168 11.873 49 2HB ASP 7 HB3 ASP 7 10.603 -3.103 10.517 50 HD2 ASP 7 HD2 ASP 7 9.038 -6.789 10.481 51 H SER 8 HN SER 8 11.383 -6.602 11.307 52 HA SER 8 HA SER 8 13.186 -6.391 13.508 53 1HB SER 8 HB2 SER 8 11.871 -8.446 14.309 54 2HB SER 8 HB3 SER 8 10.952 -6.970 14.095 55 HG SER 8 HG SER 8 9.889 -7.809 12.388 56 H LYS 9 HN LYS 9 12.668 -8.448 10.626 57 HA LYS 9 HA LYS 9 14.524 -10.445 11.517 58 1HB LYS 9 HB2 LYS 9 14.011 -11.558 9.464 59 2HB LYS 9 HB3 LYS 9 12.513 -10.940 10.130 60 1HG LYS 9 HG2 LYS 9 13.190 -8.798 8.601 61 2HG LYS 9 HG3 LYS 9 14.024 -10.042 7.691 62 1HD LYS 9 HD2 LYS 9 11.906 -10.078 6.684 63 2HD LYS 9 HD3 LYS 9 11.748 -11.366 7.863 64 1HE LYS 9 HE2 LYS 9 9.771 -10.050 8.133 65 2HE LYS 9 HE3 LYS 9 10.792 -9.598 9.483 66 1HZ LYS 9 HZ1 LYS 9 10.519 -8.065 6.953 67 2HZ LYS 9 HZ2 LYS 9 9.924 -7.623 8.403 68 H GLY 10 HN GLY 10 14.644 -7.357 9.896 69 1HA GLY 10 HA1 GLY 10 16.539 -6.174 9.380 70 2HA GLY 10 HA2 GLY 10 17.517 -7.615 9.570 71 H CYS 11 HN CYS 11 17.178 -9.397 7.834 72 HA CYS 11 HA CYS 11 17.139 -7.939 5.294 73 1HB CYS 11 HB2 CYS 11 19.014 -9.917 6.457 74 2HB CYS 11 HB3 CYS 11 18.649 -10.116 4.755 75 H LYS 12 HN LYS 12 14.617 -8.621 5.681 76 HA LYS 12 HA LYS 12 13.238 -9.265 4.069 77 1HB LYS 12 HB2 LYS 12 15.722 -9.615 2.856 78 2HB LYS 12 HB3 LYS 12 14.922 -11.154 2.607 79 1HG LYS 12 HG2 LYS 12 14.283 -9.770 0.748 80 2HG LYS 12 HG3 LYS 12 12.874 -9.861 1.785 81 1HD LYS 12 HD2 LYS 12 12.930 -7.626 2.266 82 2HD LYS 12 HD3 LYS 12 14.664 -7.626 2.515 83 1HE LYS 12 HE2 LYS 12 13.292 -7.632 -0.218 84 2HE LYS 12 HE3 LYS 12 13.978 -6.217 0.556 85 1HZ LYS 12 HZ1 LYS 12 15.766 -6.908 -0.684 86 2HZ LYS 12 HZ2 LYS 12 16.090 -7.791 0.645 87 H LEU 13 HN LEU 13 12.101 -11.362 3.228 88 HA LEU 13 HA LEU 13 11.959 -13.049 5.599 89 1HB LEU 13 HB2 LEU 13 10.045 -12.624 3.301 90 2HB LEU 13 HB3 LEU 13 9.771 -13.720 4.641 91 HG LEU 13 HG LEU 13 10.122 -11.571 6.115 92 1HD1 LEU 13 HD11 LEU 13 10.833 -10.002 4.496 93 2HD1 LEU 13 HD12 LEU 13 9.496 -10.412 3.395 94 3HD1 LEU 13 HD13 LEU 13 9.163 -9.554 4.919 95 1HD2 LEU 13 HD21 LEU 13 7.627 -12.200 4.521 96 2HD2 LEU 13 HD22 LEU 13 8.073 -12.791 6.140 97 3HD2 LEU 13 HD23 LEU 13 7.672 -11.074 5.899 98 H SER 14 HN SER 14 13.057 -13.024 2.283 99 HA SER 14 HA SER 14 14.059 -14.522 1.073 100 1HB SER 14 HB2 SER 14 14.476 -16.002 3.709 101 2HB SER 14 HB3 SER 14 15.364 -16.311 2.230 102 HG SER 14 HG SER 14 15.354 -13.849 3.757 103 H CYS 15 HN CYS 15 11.941 -15.037 0.063 104 HA CYS 15 HA CYS 15 10.613 -17.393 1.072 105 1HB CYS 15 HB2 CYS 15 8.929 -16.940 -0.605 106 2HB CYS 15 HB3 CYS 15 9.255 -15.514 0.360 107 H VAL 16 HN VAL 16 10.504 -19.396 -0.116 108 HA VAL 16 HA VAL 16 12.060 -19.442 -2.607 109 HB VAL 16 HB VAL 16 13.155 -20.531 -0.587 110 1HG1 VAL 16 HG11 VAL 16 11.051 -21.539 0.310 111 2HG1 VAL 16 HG12 VAL 16 11.055 -22.669 -1.066 112 3HG1 VAL 16 HG13 VAL 16 12.382 -22.705 0.120 113 1HG2 VAL 16 HG21 VAL 16 13.988 -22.410 -1.892 114 2HG2 VAL 16 HG22 VAL 16 12.590 -22.301 -2.990 115 3HG2 VAL 16 HG23 VAL 16 13.787 -20.984 -2.939 116 H ALA 17 HN ALA 17 9.064 -19.169 -1.586 117 HA ALA 17 HA ALA 17 7.901 -20.877 -3.543 118 1HB ALA 17 HB1 ALA 17 8.372 -22.561 -1.811 119 2HB ALA 17 HB2 ALA 17 7.529 -21.565 -0.600 120 3HB ALA 17 HB3 ALA 17 6.620 -22.280 -1.953 121 H ASN 18 HN ASN 18 5.509 -20.533 -3.639 122 HA ASN 18 HA ASN 18 5.178 -17.756 -3.338 123 1HB ASN 18 HB2 ASN 18 3.182 -19.919 -4.196 124 2HB ASN 18 HB3 ASN 18 2.933 -18.197 -4.405 125 1HD2 ASN 18 HD21 ASN 18 5.244 -17.754 -7.053 126 2HD2 ASN 18 HD22 ASN 18 4.442 -16.998 -5.716 127 H ASN 19 HN ASN 19 3.779 -20.751 -1.869 128 HA ASN 19 HA ASN 19 1.735 -19.452 -0.504 129 1HB ASN 19 HB2 ASN 19 1.652 -21.604 0.844 130 2HB ASN 19 HB3 ASN 19 1.640 -21.867 -0.888 131 1HD2 ASN 19 HD21 ASN 19 4.134 -24.041 1.036 132 2HD2 ASN 19 HD22 ASN 19 2.486 -23.593 1.323 133 H TYR 20 HN TYR 20 5.138 -20.339 0.264 134 HA TYR 20 HA TYR 20 5.159 -19.912 2.986 135 1HB TYR 20 HB2 TYR 20 7.040 -20.825 1.638 136 2HB TYR 20 HB3 TYR 20 7.125 -19.356 0.685 137 HD1 TYR 20 HD1 TYR 20 8.004 -17.243 1.731 138 HD2 TYR 20 HD2 TYR 20 8.191 -21.021 3.729 139 HE1 TYR 20 HE1 TYR 20 9.766 -16.325 3.317 140 HE2 TYR 20 HE2 TYR 20 9.952 -20.091 5.309 141 HH TYR 20 HH TYR 20 11.292 -16.869 4.817 142 H CYS 21 HN CYS 21 5.377 -17.553 0.272 143 HA CYS 21 HA CYS 21 5.963 -15.385 2.007 144 1HB CYS 21 HB2 CYS 21 6.728 -15.287 -0.251 145 2HB CYS 21 HB3 CYS 21 5.115 -15.544 -0.886 146 H ASP 22 HN ASP 22 3.031 -16.529 0.156 147 HA ASP 22 HA ASP 22 1.635 -14.220 0.567 148 1HB ASP 22 HB2 ASP 22 1.128 -16.121 -1.059 149 2HB ASP 22 HB3 ASP 22 0.450 -17.020 0.284 150 HD2 ASP 22 HD2 ASP 22 -2.490 -15.624 -0.995 151 H ASN 23 HN ASN 23 1.744 -17.318 2.436 152 HA ASN 23 HA ASN 23 -0.531 -16.764 3.941 153 1HB ASN 23 HB2 ASN 23 -0.091 -18.825 4.972 154 2HB ASN 23 HB3 ASN 23 0.872 -19.009 3.519 155 1HD2 ASN 23 HD21 ASN 23 4.035 -18.746 5.058 156 2HD2 ASN 23 HD22 ASN 23 3.126 -18.614 3.590 157 H GLN 24 HN GLN 24 2.916 -15.939 4.203 158 HA GLN 24 HA GLN 24 2.681 -15.416 7.025 159 1HB GLN 24 HB2 GLN 24 4.957 -15.663 7.107 160 2HB GLN 24 HB3 GLN 24 4.713 -16.476 5.573 161 1HG GLN 24 HG2 GLN 24 5.011 -14.161 4.456 162 2HG GLN 24 HG3 GLN 24 5.558 -13.581 6.017 163 1HE2 GLN 24 HE21 GLN 24 8.448 -15.820 6.105 164 2HE2 GLN 24 HE22 GLN 24 7.152 -15.241 7.098 165 H CYS 25 HN CYS 25 2.577 -13.748 3.943 166 HA CYS 25 HA CYS 25 3.086 -11.166 4.990 167 1HB CYS 25 HB2 CYS 25 1.688 -12.120 2.487 168 2HB CYS 25 HB3 CYS 25 1.908 -10.426 2.879 169 H LYS 26 HN LYS 26 0.137 -13.162 4.260 170 HA LYS 26 HA LYS 26 -1.613 -11.024 4.910 171 1HB LYS 26 HB2 LYS 26 -3.347 -12.494 4.303 172 2HB LYS 26 HB3 LYS 26 -2.012 -12.891 3.239 173 1HG LYS 26 HG2 LYS 26 -1.395 -14.817 4.658 174 2HG LYS 26 HG3 LYS 26 -2.620 -14.384 5.834 175 1HD LYS 26 HD2 LYS 26 -3.529 -16.163 4.455 176 2HD LYS 26 HD3 LYS 26 -4.386 -14.690 4.045 177 1HE LYS 26 HE2 LYS 26 -3.135 -14.404 2.000 178 2HE LYS 26 HE3 LYS 26 -1.936 -15.591 2.475 179 1HZ LYS 26 HZ1 LYS 26 -3.542 -16.531 0.906 180 2HZ LYS 26 HZ2 LYS 26 -3.665 -17.310 2.330 181 H MET 27 HN MET 27 0.218 -13.268 6.767 182 HA MET 27 HA MET 27 -1.543 -13.984 8.728 183 1HB MET 27 HB2 MET 27 0.797 -14.858 8.431 184 2HB MET 27 HB3 MET 27 1.446 -13.311 8.938 185 1HG MET 27 HG2 MET 27 0.737 -13.599 11.190 186 2HG MET 27 HG3 MET 27 -0.473 -14.793 10.763 187 1HE MET 27 HE1 MET 27 4.078 -15.474 10.942 188 2HE MET 27 HE2 MET 27 3.345 -14.427 9.702 189 3HE MET 27 HE3 MET 27 3.214 -13.994 11.424 190 H LYS 28 HN LYS 28 0.181 -10.902 8.211 191 HA LYS 28 HA LYS 28 -1.298 -9.567 10.213 192 1HB LYS 28 HB2 LYS 28 0.533 -9.098 11.783 193 2HB LYS 28 HB3 LYS 28 0.103 -10.797 11.758 194 1HG LYS 28 HG2 LYS 28 2.009 -11.119 10.042 195 2HG LYS 28 HG3 LYS 28 2.509 -9.483 10.424 196 1HD LYS 28 HD2 LYS 28 2.678 -10.138 12.858 197 2HD LYS 28 HD3 LYS 28 2.265 -11.784 12.420 198 1HE LYS 28 HE2 LYS 28 4.676 -11.691 12.559 199 2HE LYS 28 HE3 LYS 28 4.277 -11.804 10.856 200 1HZ LYS 28 HZ1 LYS 28 4.986 -9.310 12.305 201 2HZ LYS 28 HZ2 LYS 28 5.892 -10.057 11.177 202 H LYS 29 HN LYS 29 1.725 -9.738 8.244 203 HA LYS 29 HA LYS 29 2.342 -7.053 8.368 204 1HB LYS 29 HB2 LYS 29 2.959 -9.244 6.394 205 2HB LYS 29 HB3 LYS 29 3.511 -7.606 6.110 206 1HG LYS 29 HG2 LYS 29 3.993 -8.871 8.819 207 2HG LYS 29 HG3 LYS 29 5.023 -9.321 7.474 208 1HD LYS 29 HD2 LYS 29 5.582 -6.917 7.087 209 2HD LYS 29 HD3 LYS 29 4.535 -6.454 8.413 210 1HE LYS 29 HE2 LYS 29 6.901 -6.542 9.152 211 2HE LYS 29 HE3 LYS 29 5.939 -7.727 10.013 212 1HZ LYS 29 HZ1 LYS 29 7.706 -8.287 7.693 213 2HZ LYS 29 HZ2 LYS 29 7.951 -8.769 9.229 214 H ALA 30 HN ALA 30 0.079 -8.817 6.159 215 HA ALA 30 HA ALA 30 -0.513 -6.287 4.845 216 1HB ALA 30 HB1 ALA 30 0.278 -6.959 2.728 217 2HB ALA 30 HB2 ALA 30 1.575 -7.459 3.840 218 3HB ALA 30 HB3 ALA 30 0.421 -8.664 3.220 219 H SER 31 HN SER 31 -2.134 -6.942 2.868 220 HA SER 31 HA SER 31 -4.126 -8.639 4.006 221 1HB SER 31 HB2 SER 31 -5.236 -8.138 1.688 222 2HB SER 31 HB3 SER 31 -5.073 -6.834 2.847 223 HG SER 31 HG SER 31 -3.076 -7.346 0.823 224 H GLY 32 HN GLY 32 -1.540 -8.783 1.565 225 1HA GLY 32 HA1 GLY 32 -1.837 -11.646 1.338 226 2HA GLY 32 HA2 GLY 32 -2.261 -10.770 -0.119 227 H GLY 33 HN GLY 33 -0.244 -12.291 -0.689 228 1HA GLY 33 HA1 GLY 33 1.761 -10.441 -1.411 229 2HA GLY 33 HA2 GLY 33 2.349 -11.450 -0.105 230 H HIS 34 HN HIS 34 3.602 -11.599 -2.594 231 HA HIS 34 HA HIS 34 3.215 -14.430 -2.944 232 1HB HIS 34 HB2 HIS 34 2.219 -12.581 -4.880 233 2HB HIS 34 HB3 HIS 34 3.618 -13.374 -5.575 234 HD1 HIS 34 HD1 HIS 34 0.707 -14.691 -3.428 235 HD2 HIS 34 HD2 HIS 34 2.732 -15.506 -7.010 236 HE1 HIS 34 HE1 HIS 34 -0.385 -16.779 -4.407 237 H CYS 35 HN CYS 35 5.130 -15.420 -4.088 238 HA CYS 35 HA CYS 35 7.439 -14.076 -3.022 239 1HB CYS 35 HB2 CYS 35 7.083 -16.439 -2.547 240 2HB CYS 35 HB3 CYS 35 7.103 -16.816 -4.258 241 H TYR 36 HN TYR 36 7.504 -12.267 -4.621 242 HA TYR 36 HA TYR 36 8.257 -12.697 -7.275 243 1HB TYR 36 HB2 TYR 36 7.755 -10.504 -6.092 244 2HB TYR 36 HB3 TYR 36 9.181 -10.719 -5.097 245 HD1 TYR 36 HD1 TYR 36 11.146 -9.645 -5.724 246 HD2 TYR 36 HD2 TYR 36 8.220 -10.521 -8.721 247 HE1 TYR 36 HE1 TYR 36 12.531 -8.396 -7.452 248 HE2 TYR 36 HE2 TYR 36 9.615 -9.269 -10.438 249 HH TYR 36 HH TYR 36 12.687 -7.741 -9.498 250 H ALA 37 HN ALA 37 10.532 -12.488 -8.189 251 HA ALA 37 HA ALA 37 11.557 -14.946 -7.488 252 1HB ALA 37 HB1 ALA 37 13.366 -14.365 -9.094 253 2HB ALA 37 HB2 ALA 37 11.753 -13.943 -9.716 254 3HB ALA 37 HB3 ALA 37 12.819 -12.671 -9.072 255 H MET 38 HN MET 38 12.475 -11.649 -6.445 256 HA MET 38 HA MET 38 14.971 -12.543 -5.421 257 1HB MET 38 HB2 MET 38 13.383 -9.930 -5.196 258 2HB MET 38 HB3 MET 38 14.979 -10.123 -4.496 259 1HG MET 38 HG2 MET 38 14.409 -10.636 -7.452 260 2HG MET 38 HG3 MET 38 14.898 -9.067 -6.843 261 1HE MET 38 HE1 MET 38 17.007 -9.054 -8.394 262 2HE MET 38 HE2 MET 38 18.178 -10.391 -8.491 263 3HE MET 38 HE3 MET 38 16.505 -10.632 -9.048 264 H SER 39 HN SER 39 11.674 -11.945 -4.112 265 HA SER 39 HA SER 39 12.419 -12.605 -1.484 266 1HB SER 39 HB2 SER 39 12.076 -9.637 -2.107 267 2HB SER 39 HB3 SER 39 12.194 -10.320 -0.497 268 HG SER 39 HG SER 39 14.339 -11.215 -1.235 269 H CYS 40 HN CYS 40 10.537 -12.020 0.081 270 HA CYS 40 HA CYS 40 8.122 -12.700 -1.218 271 1HB CYS 40 HB2 CYS 40 8.554 -13.551 0.972 272 2HB CYS 40 HB3 CYS 40 8.780 -11.942 1.629 273 H TYR 41 HN TYR 41 7.243 -11.130 -2.578 274 HA TYR 41 HA TYR 41 7.140 -8.379 -1.726 275 1HB TYR 41 HB2 TYR 41 7.372 -9.275 -4.125 276 2HB TYR 41 HB3 TYR 41 5.782 -9.996 -3.973 277 HD1 TYR 41 HD1 TYR 41 3.787 -8.691 -4.257 278 HD2 TYR 41 HD2 TYR 41 7.613 -6.778 -4.163 279 HE1 TYR 41 HE1 TYR 41 2.738 -6.533 -5.099 280 HE2 TYR 41 HE2 TYR 41 6.551 -4.627 -5.005 281 HH TYR 41 HH TYR 41 4.749 -3.661 -5.689 282 H CYS 42 HN CYS 42 5.838 -8.022 0.049 283 HA CYS 42 HA CYS 42 3.321 -9.424 0.204 284 1HB CYS 42 HB2 CYS 42 4.644 -7.448 2.073 285 2HB CYS 42 HB3 CYS 42 3.101 -8.220 2.375 286 H GLU 43 HN GLU 43 1.265 -8.058 0.622 287 HA GLU 43 HA GLU 43 1.368 -5.769 -1.154 288 1HB GLU 43 HB2 GLU 43 0.981 -8.123 -2.324 289 2HB GLU 43 HB3 GLU 43 -0.650 -7.950 -1.706 290 1HG GLU 43 HG2 GLU 43 -0.830 -5.714 -2.827 291 2HG GLU 43 HG3 GLU 43 0.794 -5.903 -3.456 292 HE2 GLU 43 HE2 GLU 43 -2.253 -7.291 -3.363 293 H GLY 44 HN GLY 44 0.168 -4.153 -0.256 294 1HA GLY 44 HA1 GLY 44 -1.734 -3.182 0.569 295 2HA GLY 44 HA2 GLY 44 -2.437 -4.760 0.864 296 H LEU 45 HN LEU 45 0.324 -2.686 2.003 297 HA LEU 45 HA LEU 45 -0.069 -3.834 4.667 298 1HB LEU 45 HB2 LEU 45 2.247 -2.394 3.378 299 2HB LEU 45 HB3 LEU 45 2.163 -2.720 5.098 300 HG LEU 45 HG LEU 45 1.737 -5.217 4.194 301 1HD1 LEU 45 HD11 LEU 45 3.249 -5.652 2.277 302 2HD1 LEU 45 HD12 LEU 45 1.822 -4.680 1.845 303 3HD1 LEU 45 HD13 LEU 45 3.408 -3.895 2.040 304 1HD2 LEU 45 HD21 LEU 45 4.406 -3.839 4.578 305 2HD2 LEU 45 HD22 LEU 45 3.419 -4.663 5.810 306 3HD2 LEU 45 HD23 LEU 45 4.182 -5.604 4.505 307 HA PRO 46 HA PRO 46 -0.986 0.305 6.117 308 1HB PRO 46 HB2 PRO 46 -0.194 0.063 8.721 309 2HB PRO 46 HB3 PRO 46 -1.805 -0.347 8.168 310 1HG PRO 46 HG2 PRO 46 0.417 -2.152 8.904 311 2HG PRO 46 HG3 PRO 46 -1.292 -2.515 8.765 312 1HD PRO 46 HD2 PRO 46 0.764 -3.183 6.879 313 2HD PRO 46 HD3 PRO 46 -0.959 -3.442 6.687 314 H GLU 47 HN GLU 47 0.151 2.274 6.850 315 HA GLU 47 HA GLU 47 2.414 2.112 5.156 316 1HB GLU 47 HB2 GLU 47 1.084 4.432 6.616 317 2HB GLU 47 HB3 GLU 47 2.458 4.640 5.548 318 1HG GLU 47 HG2 GLU 47 1.159 3.586 3.680 319 2HG GLU 47 HG3 GLU 47 -0.216 3.395 4.749 320 HE2 GLU 47 HE2 GLU 47 0.524 6.953 3.136 321 H ASN 48 HN ASN 48 1.916 1.771 8.527 322 HA ASN 48 HA ASN 48 4.206 3.094 9.443 323 1HB ASN 48 HB2 ASN 48 3.798 1.821 11.546 324 2HB ASN 48 HB3 ASN 48 2.297 2.480 10.928 325 1HD2 ASN 48 HD21 ASN 48 2.145 -1.219 11.924 326 2HD2 ASN 48 HD22 ASN 48 2.856 0.175 12.666 327 H ALA 49 HN ALA 49 3.508 -0.037 7.954 328 HA ALA 49 HA ALA 49 5.968 -1.247 8.860 329 1HB ALA 49 HB1 ALA 49 3.901 -2.572 8.613 330 2HB ALA 49 HB2 ALA 49 3.839 -2.161 6.882 331 3HB ALA 49 HB3 ALA 49 5.171 -3.160 7.513 332 H LYS 50 HN LYS 50 7.865 -0.588 7.977 333 HA LYS 50 HA LYS 50 7.894 0.802 5.501 334 1HB LYS 50 HB2 LYS 50 9.393 1.316 7.404 335 2HB LYS 50 HB3 LYS 50 10.182 -0.235 7.201 336 1HG LYS 50 HG2 LYS 50 9.973 1.456 4.736 337 2HG LYS 50 HG3 LYS 50 11.037 2.062 5.989 338 1HD LYS 50 HD2 LYS 50 12.277 -0.085 6.022 339 2HD LYS 50 HD3 LYS 50 11.172 -0.768 4.846 340 1HE LYS 50 HE2 LYS 50 11.854 1.087 3.233 341 2HE LYS 50 HE3 LYS 50 13.064 1.588 4.397 342 1HZ LYS 50 HZ1 LYS 50 14.044 -0.652 4.239 343 2HZ LYS 50 HZ2 LYS 50 12.928 -1.103 3.142 344 H VAL 51 HN VAL 51 8.190 0.046 3.456 345 HA VAL 51 HA VAL 51 9.298 -2.663 3.218 346 HB VAL 51 HB VAL 51 7.789 -3.190 1.501 347 1HG1 VAL 51 HG11 VAL 51 5.655 -3.145 2.579 348 2HG1 VAL 51 HG12 VAL 51 6.888 -3.230 3.861 349 3HG1 VAL 51 HG13 VAL 51 6.081 -1.685 3.503 350 1HG2 VAL 51 HG21 VAL 51 7.069 -0.251 1.498 351 2HG2 VAL 51 HG22 VAL 51 7.712 -1.240 0.166 352 3HG2 VAL 51 HG23 VAL 51 6.043 -1.487 0.731 353 H SER 52 HN SER 52 10.675 -3.002 1.336 354 HA SER 52 HA SER 52 11.393 -0.540 -0.016 355 1HB SER 52 HB2 SER 52 13.330 -1.760 0.651 356 2HB SER 52 HB3 SER 52 12.649 -3.296 0.151 357 HG SER 52 HG SER 52 13.679 -1.168 -1.498 358 H ASP 53 HN ASP 53 10.925 -0.205 -2.244 359 HA ASP 53 HA ASP 53 10.028 -2.594 -3.652 360 1HB ASP 53 HB2 ASP 53 8.702 -1.100 -5.144 361 2HB ASP 53 HB3 ASP 53 8.154 -1.020 -3.481 362 HD2 ASP 53 HD2 ASP 53 10.024 2.236 -3.418 363 H SER 54 HN SER 54 12.792 -1.818 -3.325 364 HA SER 54 HA SER 54 13.332 -0.223 -5.708 365 1HB SER 54 HB2 SER 54 15.334 0.656 -4.344 366 2HB SER 54 HB3 SER 54 13.747 1.243 -3.888 367 HG SER 54 HG SER 54 14.992 0.594 -2.027 368 H ALA 55 HN ALA 55 13.284 -2.995 -5.970 369 HA ALA 55 HA ALA 55 14.521 -4.494 -7.028 370 1HB ALA 55 HB1 ALA 55 16.537 -2.224 -7.276 371 2HB ALA 55 HB2 ALA 55 16.442 -3.675 -8.303 372 3HB ALA 55 HB3 ALA 55 15.135 -2.468 -8.345 373 H THR 56 HN THR 56 14.640 -4.505 -4.156 374 HA THR 56 HA THR 56 15.681 -5.772 -2.651 375 HB THR 56 HB THR 56 17.101 -6.951 -5.095 376 HG1 THR 56 HG1 THR 56 14.775 -6.779 -5.381 377 1HG2 THR 56 HG21 THR 56 17.721 -7.819 -2.745 378 2HG2 THR 56 HG22 THR 56 16.019 -8.311 -2.579 379 3HG2 THR 56 HG23 THR 56 17.035 -9.035 -3.848 380 H ASN 57 HN ASN 57 16.663 -3.413 -2.322 381 HA ASN 57 HA ASN 57 19.491 -3.432 -2.678 382 1HB ASN 57 HB2 ASN 57 19.431 -1.258 -1.573 383 2HB ASN 57 HB3 ASN 57 18.052 -1.326 -2.652 384 1HD2 ASN 57 HD21 ASN 57 15.560 -1.275 -0.196 385 2HD2 ASN 57 HD22 ASN 57 15.993 -1.407 -1.868 386 H ILE 58 HN ILE 58 17.068 -4.417 -0.290 387 HA ILE 58 HA ILE 58 19.065 -4.893 1.742 388 HB ILE 58 HB ILE 58 16.154 -5.671 1.540 389 1HG1 ILE 58 HG12 ILE 58 16.611 -3.783 3.593 390 2HG1 ILE 58 HG13 ILE 58 17.466 -3.180 2.188 391 1HG2 ILE 58 HG21 ILE 58 17.223 -7.237 2.985 392 2HG2 ILE 58 HG22 ILE 58 18.146 -5.952 3.801 393 3HG2 ILE 58 HG23 ILE 58 16.381 -6.051 4.011 394 1HD1 ILE 58 HD11 ILE 58 14.539 -4.048 2.249 395 2HD1 ILE 58 HD12 ILE 58 15.136 -2.373 2.180 396 3HD1 ILE 58 HD13 ILE 58 15.405 -3.470 0.804 397 H CYS 59 HN CYS 59 19.357 -7.209 2.593 398 HA CYS 59 HA CYS 59 21.021 -8.243 0.826 399 1HB CYS 59 HB2 CYS 59 19.458 -9.955 2.767 400 2HB CYS 59 HB3 CYS 59 21.026 -10.322 2.076 401 H GLY 60 HN GLY 60 17.693 -9.614 1.420 402 1HA GLY 60 HA1 GLY 60 16.522 -9.933 -0.853 403 2HA GLY 60 HA2 GLY 60 17.881 -10.992 -1.174 Start of MODEL 18 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.038 0.056 3 1HB LYS 1 HB2 LYS 1 3.023 0.260 -1.457 4 2HB LYS 1 HB3 LYS 1 1.417 0.171 -2.150 5 1HG LYS 1 HG2 LYS 1 0.902 2.415 -1.040 6 2HG LYS 1 HG3 LYS 1 2.588 2.508 -0.572 7 1HD LYS 1 HD2 LYS 1 3.093 2.105 -3.121 8 2HD LYS 1 HD3 LYS 1 1.413 2.533 -3.374 9 1HE LYS 1 HE2 LYS 1 3.497 4.274 -1.969 10 2HE LYS 1 HE3 LYS 1 2.893 4.521 -3.596 11 1HZ LYS 1 HZ1 LYS 1 0.618 4.711 -2.542 12 2HZ LYS 1 HZ2 LYS 1 1.339 4.747 -1.081 13 H ASP 2 HN ASP 2 3.916 0.354 0.731 14 HA ASP 2 HA ASP 2 3.071 1.760 3.140 15 1HB ASP 2 HB2 ASP 2 5.579 0.069 3.073 16 2HB ASP 2 HB3 ASP 2 4.626 0.556 4.461 17 HD2 ASP 2 HD2 ASP 2 2.455 -0.245 4.307 18 H GLY 3 HN GLY 3 4.590 3.454 3.840 19 1HA GLY 3 HA1 GLY 3 7.149 3.880 3.023 20 2HA GLY 3 HA2 GLY 3 6.192 4.580 1.733 21 H TYR 4 HN TYR 4 7.264 6.642 2.508 22 HA TYR 4 HA TYR 4 5.673 7.767 4.714 23 1HB TYR 4 HB2 TYR 4 8.331 8.614 3.400 24 2HB TYR 4 HB3 TYR 4 7.613 9.406 4.788 25 HD1 TYR 4 HD1 TYR 4 9.461 6.456 3.621 26 HD2 TYR 4 HD2 TYR 4 7.679 8.365 7.010 27 HE1 TYR 4 HE1 TYR 4 10.729 4.895 5.176 28 HE2 TYR 4 HE2 TYR 4 8.953 6.797 8.554 29 HH TYR 4 HH TYR 4 11.038 4.251 7.216 30 HA PRO 5 HA PRO 5 3.927 9.602 1.120 31 1HB PRO 5 HB2 PRO 5 1.511 10.286 2.198 32 2HB PRO 5 HB3 PRO 5 1.846 8.703 1.525 33 1HG PRO 5 HG2 PRO 5 1.636 9.504 4.363 34 2HG PRO 5 HG3 PRO 5 1.545 7.899 3.666 35 1HD PRO 5 HD2 PRO 5 3.779 9.042 5.054 36 2HD PRO 5 HD3 PRO 5 3.728 7.483 4.256 37 H VAL 6 HN VAL 6 3.559 11.653 0.194 38 HA VAL 6 HA VAL 6 3.446 13.786 2.193 39 HB VAL 6 HB VAL 6 4.836 15.145 0.539 40 1HG1 VAL 6 HG11 VAL 6 5.628 14.397 2.760 41 2HG1 VAL 6 HG12 VAL 6 6.207 12.881 2.029 42 3HG1 VAL 6 HG13 VAL 6 6.935 14.434 1.554 43 1HG2 VAL 6 HG21 VAL 6 5.716 12.386 -0.372 44 2HG2 VAL 6 HG22 VAL 6 4.690 13.489 -1.320 45 3HG2 VAL 6 HG23 VAL 6 6.359 13.955 -0.915 46 H ASP 7 HN ASP 7 1.805 15.232 1.807 47 HA ASP 7 HA ASP 7 1.211 15.946 -0.842 48 1HB ASP 7 HB2 ASP 7 -1.390 15.369 -0.208 49 2HB ASP 7 HB3 ASP 7 -0.382 14.345 -1.211 50 HD2 ASP 7 HD2 ASP 7 -0.631 11.729 0.986 51 H SER 8 HN SER 8 -0.847 15.637 2.152 52 HA SER 8 HA SER 8 -1.271 18.465 2.115 53 1HB SER 8 HB2 SER 8 -2.916 18.051 3.840 54 2HB SER 8 HB3 SER 8 -3.089 16.796 2.630 55 HG SER 8 HG SER 8 -1.935 15.332 3.990 56 H LYS 9 HN LYS 9 0.730 16.071 3.776 57 HA LYS 9 HA LYS 9 1.136 17.751 6.083 58 1HB LYS 9 HB2 LYS 9 2.547 15.879 6.860 59 2HB LYS 9 HB3 LYS 9 0.926 15.374 6.426 60 1HG LYS 9 HG2 LYS 9 2.709 15.254 4.100 61 2HG LYS 9 HG3 LYS 9 3.361 14.319 5.431 62 1HD LYS 9 HD2 LYS 9 0.440 14.049 4.634 63 2HD LYS 9 HD3 LYS 9 1.684 13.159 3.779 64 1HE LYS 9 HE2 LYS 9 2.427 12.093 5.886 65 2HE LYS 9 HE3 LYS 9 1.290 13.057 6.808 66 1HZ LYS 9 HZ1 LYS 9 0.424 10.821 6.297 67 2HZ LYS 9 HZ2 LYS 9 -0.532 11.965 5.641 68 H GLY 10 HN GLY 10 2.519 17.268 2.920 69 1HA GLY 10 HA1 GLY 10 3.991 18.672 1.902 70 2HA GLY 10 HA2 GLY 10 4.308 19.469 3.430 71 H CYS 11 HN CYS 11 5.652 18.208 5.086 72 HA CYS 11 HA CYS 11 7.503 16.409 3.707 73 1HB CYS 11 HB2 CYS 11 8.152 18.795 5.425 74 2HB CYS 11 HB3 CYS 11 9.277 17.462 5.253 75 H LYS 12 HN LYS 12 5.448 15.223 4.969 76 HA LYS 12 HA LYS 12 5.244 13.468 6.297 77 1HB LYS 12 HB2 LYS 12 8.090 13.894 6.223 78 2HB LYS 12 HB3 LYS 12 7.633 13.355 7.826 79 1HG LYS 12 HG2 LYS 12 8.059 11.388 6.448 80 2HG LYS 12 HG3 LYS 12 6.343 11.454 6.799 81 1HD LYS 12 HD2 LYS 12 6.233 11.085 4.510 82 2HD LYS 12 HD3 LYS 12 6.257 12.838 4.505 83 1HE LYS 12 HE2 LYS 12 8.876 11.310 4.433 84 2HE LYS 12 HE3 LYS 12 7.940 11.487 2.962 85 1HZ LYS 12 HZ1 LYS 12 7.921 14.001 3.776 86 2HZ LYS 12 HZ2 LYS 12 9.308 13.558 4.505 87 H LEU 13 HN LEU 13 5.037 12.854 8.700 88 HA LEU 13 HA LEU 13 4.736 15.307 10.281 89 1HB LEU 13 HB2 LEU 13 3.424 12.615 10.675 90 2HB LEU 13 HB3 LEU 13 3.140 14.063 11.622 91 HG LEU 13 HG LEU 13 2.648 14.134 8.661 92 1HD1 LEU 13 HD11 LEU 13 0.273 13.432 9.140 93 2HD1 LEU 13 HD12 LEU 13 1.491 12.137 9.215 94 3HD1 LEU 13 HD13 LEU 13 0.847 12.840 10.718 95 1HD2 LEU 13 HD21 LEU 13 2.540 16.219 9.925 96 2HD2 LEU 13 HD22 LEU 13 0.937 15.765 9.300 97 3HD2 LEU 13 HD23 LEU 13 1.327 15.509 11.018 98 H SER 14 HN SER 14 6.184 15.673 11.872 99 HA SER 14 HA SER 14 8.275 13.901 12.285 100 1HB SER 14 HB2 SER 14 8.851 15.433 14.203 101 2HB SER 14 HB3 SER 14 8.578 16.268 12.687 102 HG SER 14 HG SER 14 7.504 17.283 14.532 103 H CYS 15 HN CYS 15 5.154 14.443 13.963 104 HA CYS 15 HA CYS 15 3.977 13.034 15.182 105 1HB CYS 15 HB2 CYS 15 4.261 10.828 14.974 106 2HB CYS 15 HB3 CYS 15 5.482 11.284 13.803 107 H VAL 16 HN VAL 16 3.811 12.451 17.501 108 HA VAL 16 HA VAL 16 5.903 13.835 19.006 109 HB VAL 16 HB VAL 16 3.058 13.122 19.748 110 1HG1 VAL 16 HG11 VAL 16 4.360 13.299 21.746 111 2HG1 VAL 16 HG12 VAL 16 5.182 14.764 21.158 112 3HG1 VAL 16 HG13 VAL 16 3.452 14.820 21.575 113 1HG2 VAL 16 HG21 VAL 16 3.052 14.741 17.949 114 2HG2 VAL 16 HG22 VAL 16 2.630 15.561 19.471 115 3HG2 VAL 16 HG23 VAL 16 4.264 15.738 18.788 116 H ALA 17 HN ALA 17 4.692 10.697 18.213 117 HA ALA 17 HA ALA 17 6.254 9.413 20.222 118 1HB ALA 17 HB1 ALA 17 4.353 10.121 21.612 119 2HB ALA 17 HB2 ALA 17 3.218 9.370 20.465 120 3HB ALA 17 HB3 ALA 17 4.344 8.354 21.396 121 H ASN 18 HN ASN 18 5.808 6.925 20.087 122 HA ASN 18 HA ASN 18 6.439 6.362 17.482 123 1HB ASN 18 HB2 ASN 18 5.452 4.513 19.716 124 2HB ASN 18 HB3 ASN 18 6.151 3.927 18.219 125 1HD2 ASN 18 HD21 ASN 18 9.488 4.899 18.902 126 2HD2 ASN 18 HD22 ASN 18 8.317 4.635 17.654 127 H ASN 19 HN ASN 19 3.340 6.310 19.277 128 HA ASN 19 HA ASN 19 2.152 4.580 17.316 129 1HB ASN 19 HB2 ASN 19 0.152 4.703 18.872 130 2HB ASN 19 HB3 ASN 19 1.611 4.146 19.668 131 1HD2 ASN 19 HD21 ASN 19 1.980 6.844 21.853 132 2HD2 ASN 19 HD22 ASN 19 2.611 5.370 21.199 133 H TYR 20 HN TYR 20 2.717 7.915 17.732 134 HA TYR 20 HA TYR 20 0.115 8.965 17.599 135 1HB TYR 20 HB2 TYR 20 2.349 9.994 18.425 136 2HB TYR 20 HB3 TYR 20 2.840 10.128 16.748 137 HD1 TYR 20 HD1 TYR 20 0.651 11.483 19.367 138 HD2 TYR 20 HD2 TYR 20 1.824 11.798 15.265 139 HE1 TYR 20 HE1 TYR 20 -0.466 13.762 19.215 140 HE2 TYR 20 HE2 TYR 20 0.703 14.076 15.127 141 HH TYR 20 HH TYR 20 -0.917 15.463 17.973 142 H CYS 21 HN CYS 21 2.430 7.889 15.135 143 HA CYS 21 HA CYS 21 1.323 9.263 12.973 144 1HB CYS 21 HB2 CYS 21 3.463 8.292 12.723 145 2HB CYS 21 HB3 CYS 21 2.897 6.704 13.203 146 H ASP 22 HN ASP 22 0.484 6.209 14.703 147 HA ASP 22 HA ASP 22 -0.597 4.952 12.522 148 1HB ASP 22 HB2 ASP 22 0.055 3.969 14.799 149 2HB ASP 22 HB3 ASP 22 -1.464 4.578 15.425 150 HD2 ASP 22 HD2 ASP 22 -1.504 2.389 15.881 151 H ASN 23 HN ASN 23 -2.138 6.850 15.211 152 HA ASN 23 HA ASN 23 -4.746 6.365 14.407 153 1HB ASN 23 HB2 ASN 23 -5.215 8.486 15.825 154 2HB ASN 23 HB3 ASN 23 -4.402 7.168 16.646 155 1HD2 ASN 23 HD21 ASN 23 -2.570 10.772 15.929 156 2HD2 ASN 23 HD22 ASN 23 -4.134 10.357 15.312 157 H GLN 24 HN GLN 24 -2.225 8.647 13.390 158 HA GLN 24 HA GLN 24 -4.122 10.463 12.242 159 1HB GLN 24 HB2 GLN 24 -1.914 11.115 13.397 160 2HB GLN 24 HB3 GLN 24 -1.091 10.528 11.965 161 1HG GLN 24 HG2 GLN 24 -2.159 12.168 10.551 162 2HG GLN 24 HG3 GLN 24 -3.336 12.578 11.782 163 1HE2 GLN 24 HE21 GLN 24 -1.067 15.369 11.947 164 2HE2 GLN 24 HE22 GLN 24 -2.353 14.711 10.991 165 H CYS 25 HN CYS 25 -2.299 7.639 11.317 166 HA CYS 25 HA CYS 25 -2.369 8.238 8.516 167 1HB CYS 25 HB2 CYS 25 -1.713 5.700 10.024 168 2HB CYS 25 HB3 CYS 25 -1.621 5.866 8.282 169 H LYS 26 HN LYS 26 -4.209 6.292 10.957 170 HA LYS 26 HA LYS 26 -5.440 4.731 8.925 171 1HB LYS 26 HB2 LYS 26 -6.355 3.481 10.683 172 2HB LYS 26 HB3 LYS 26 -4.795 4.006 11.283 173 1HG LYS 26 HG2 LYS 26 -6.091 6.045 12.297 174 2HG LYS 26 HG3 LYS 26 -7.540 5.107 11.992 175 1HD LYS 26 HD2 LYS 26 -5.159 4.175 13.665 176 2HD LYS 26 HD3 LYS 26 -6.677 4.764 14.311 177 1HE LYS 26 HE2 LYS 26 -6.325 2.281 12.564 178 2HE LYS 26 HE3 LYS 26 -6.631 2.283 14.289 179 1HZ LYS 26 HZ1 LYS 26 -8.480 3.052 12.126 180 2HZ LYS 26 HZ2 LYS 26 -8.746 2.039 13.373 181 H MET 27 HN MET 27 -6.033 7.858 10.261 182 HA MET 27 HA MET 27 -8.788 7.698 10.568 183 1HB MET 27 HB2 MET 27 -8.645 10.124 10.831 184 2HB MET 27 HB3 MET 27 -7.172 9.456 11.507 185 1HG MET 27 HG2 MET 27 -6.101 9.843 9.173 186 2HG MET 27 HG3 MET 27 -7.521 10.795 8.791 187 1HE MET 27 HE1 MET 27 -4.747 12.056 8.593 188 2HE MET 27 HE2 MET 27 -6.229 13.024 8.407 189 3HE MET 27 HE3 MET 27 -4.923 13.593 9.474 190 H LYS 28 HN LYS 28 -6.745 8.112 7.728 191 HA LYS 28 HA LYS 28 -8.916 7.474 6.084 192 1HB LYS 28 HB2 LYS 28 -9.016 9.566 4.733 193 2HB LYS 28 HB3 LYS 28 -9.691 9.720 6.342 194 1HG LYS 28 HG2 LYS 28 -8.316 11.495 6.665 195 2HG LYS 28 HG3 LYS 28 -6.971 10.372 6.692 196 1HD LYS 28 HD2 LYS 28 -6.355 11.899 4.992 197 2HD LYS 28 HD3 LYS 28 -7.002 10.543 4.090 198 1HE LYS 28 HE2 LYS 28 -7.997 12.517 3.132 199 2HE LYS 28 HE3 LYS 28 -9.261 11.743 4.065 200 1HZ LYS 28 HZ1 LYS 28 -7.610 14.031 4.997 201 2HZ LYS 28 HZ2 LYS 28 -9.177 14.108 4.560 202 H LYS 29 HN LYS 29 -5.640 8.897 6.480 203 HA LYS 29 HA LYS 29 -4.908 8.892 3.838 204 1HB LYS 29 HB2 LYS 29 -3.238 8.564 6.345 205 2HB LYS 29 HB3 LYS 29 -2.557 8.828 4.752 206 1HG LYS 29 HG2 LYS 29 -4.671 10.693 5.903 207 2HG LYS 29 HG3 LYS 29 -2.968 10.916 6.253 208 1HD LYS 29 HD2 LYS 29 -2.543 10.927 3.727 209 2HD LYS 29 HD3 LYS 29 -4.281 10.937 3.497 210 1HE LYS 29 HE2 LYS 29 -4.334 13.033 5.015 211 2HE LYS 29 HE3 LYS 29 -2.588 13.070 4.870 212 1HZ LYS 29 HZ1 LYS 29 -3.884 14.407 3.166 213 2HZ LYS 29 HZ2 LYS 29 -2.757 13.412 2.541 214 H ALA 30 HN ALA 30 -4.777 6.223 6.258 215 HA ALA 30 HA ALA 30 -4.148 4.362 4.125 216 1HB ALA 30 HB1 ALA 30 -2.005 5.498 5.156 217 2HB ALA 30 HB2 ALA 30 -2.326 4.408 6.526 218 3HB ALA 30 HB3 ALA 30 -2.041 3.737 4.902 219 H SER 31 HN SER 31 -3.585 2.112 5.593 220 HA SER 31 HA SER 31 -6.051 1.718 6.971 221 1HB SER 31 HB2 SER 31 -3.699 -0.180 6.549 222 2HB SER 31 HB3 SER 31 -5.282 -0.642 7.142 223 HG SER 31 HG SER 31 -5.070 -1.050 4.857 224 H GLY 32 HN GLY 32 -2.576 2.119 7.712 225 1HA GLY 32 HA1 GLY 32 -3.123 2.842 10.406 226 2HA GLY 32 HA2 GLY 32 -2.473 1.217 10.325 227 H GLY 33 HN GLY 33 -0.572 2.180 11.529 228 1HA GLY 33 HA1 GLY 33 1.574 1.687 10.080 229 2HA GLY 33 HA2 GLY 33 1.362 3.385 9.699 230 H HIS 34 HN HIS 34 3.518 3.637 10.781 231 HA HIS 34 HA HIS 34 3.171 4.017 13.628 232 1HB HIS 34 HB2 HIS 34 5.436 2.314 12.560 233 2HB HIS 34 HB3 HIS 34 5.125 2.726 14.235 234 HD1 HIS 34 HD1 HIS 34 3.839 0.539 11.429 235 HD2 HIS 34 HD2 HIS 34 3.168 1.174 15.521 236 HE1 HIS 34 HE1 HIS 34 2.363 -1.387 12.219 237 H CYS 35 HN CYS 35 5.071 5.263 14.562 238 HA CYS 35 HA CYS 35 6.061 7.094 12.543 239 1HB CYS 35 HB2 CYS 35 5.038 8.083 14.491 240 2HB CYS 35 HB3 CYS 35 6.097 7.188 15.564 241 H TYR 36 HN TYR 36 7.894 6.315 11.522 242 HA TYR 36 HA TYR 36 9.842 4.890 13.198 243 1HB TYR 36 HB2 TYR 36 8.649 3.868 11.100 244 2HB TYR 36 HB3 TYR 36 9.502 5.063 10.143 245 HD1 TYR 36 HD1 TYR 36 9.773 1.910 11.958 246 HD2 TYR 36 HD2 TYR 36 11.977 4.949 9.907 247 HE1 TYR 36 HE1 TYR 36 11.771 0.348 11.776 248 HE2 TYR 36 HE2 TYR 36 13.968 3.377 9.731 249 HH TYR 36 HH TYR 36 14.761 1.425 10.178 250 H ALA 37 HN ALA 37 11.907 5.672 13.431 251 HA ALA 37 HA ALA 37 13.424 7.308 13.547 252 1HB ALA 37 HB1 ALA 37 14.061 6.021 11.525 253 2HB ALA 37 HB2 ALA 37 13.097 7.133 10.523 254 3HB ALA 37 HB3 ALA 37 14.530 7.733 11.392 255 H MET 38 HN MET 38 10.964 8.389 14.153 256 HA MET 38 HA MET 38 9.942 10.298 14.351 257 1HB MET 38 HB2 MET 38 12.514 10.903 14.652 258 2HB MET 38 HB3 MET 38 12.345 11.705 13.103 259 1HG MET 38 HG2 MET 38 10.391 13.023 14.064 260 2HG MET 38 HG3 MET 38 10.722 12.297 15.625 261 1HE MET 38 HE1 MET 38 13.167 15.482 13.437 262 2HE MET 38 HE2 MET 38 12.690 13.971 12.625 263 3HE MET 38 HE3 MET 38 11.443 15.088 13.232 264 H SER 39 HN SER 39 9.430 8.891 11.886 265 HA SER 39 HA SER 39 8.206 11.170 10.651 266 1HB SER 39 HB2 SER 39 9.780 9.153 8.989 267 2HB SER 39 HB3 SER 39 8.780 10.438 8.342 268 HG SER 39 HG SER 39 10.314 11.807 9.885 269 H CYS 40 HN CYS 40 6.155 10.627 9.696 270 HA CYS 40 HA CYS 40 5.045 8.353 10.960 271 1HB CYS 40 HB2 CYS 40 3.782 10.391 10.828 272 2HB CYS 40 HB3 CYS 40 3.884 10.412 9.079 273 H TYR 41 HN TYR 41 5.878 6.417 10.065 274 HA TYR 41 HA TYR 41 5.748 6.004 7.217 275 1HB TYR 41 HB2 TYR 41 7.459 5.000 8.817 276 2HB TYR 41 HB3 TYR 41 6.164 4.197 9.682 277 HD1 TYR 41 HD1 TYR 41 5.724 1.972 9.179 278 HD2 TYR 41 HD2 TYR 41 7.538 4.444 6.194 279 HE1 TYR 41 HE1 TYR 41 5.956 -0.040 7.643 280 HE2 TYR 41 HE2 TYR 41 7.763 2.422 4.669 281 HH TYR 41 HH TYR 41 6.762 -0.796 5.781 282 H CYS 42 HN CYS 42 3.579 6.194 6.549 283 HA CYS 42 HA CYS 42 1.557 4.878 8.103 284 1HB CYS 42 HB2 CYS 42 1.465 6.509 5.562 285 2HB CYS 42 HB3 CYS 42 0.050 5.756 6.270 286 H GLU 43 HN GLU 43 0.042 3.263 7.039 287 HA GLU 43 HA GLU 43 1.508 1.640 5.133 288 1HB GLU 43 HB2 GLU 43 0.605 0.752 7.903 289 2HB GLU 43 HB3 GLU 43 1.026 -0.381 6.634 290 1HG GLU 43 HG2 GLU 43 3.296 0.689 6.456 291 2HG GLU 43 HG3 GLU 43 2.871 1.780 7.759 292 HE2 GLU 43 HE2 GLU 43 3.401 -2.109 8.678 293 H GLY 44 HN GLY 44 0.173 0.595 3.665 294 1HA GLY 44 HA1 GLY 44 -1.804 -0.294 2.869 295 2HA GLY 44 HA2 GLY 44 -2.670 0.330 4.259 296 H LEU 45 HN LEU 45 -0.412 2.131 2.086 297 HA LEU 45 HA LEU 45 -2.405 4.178 1.789 298 1HB LEU 45 HB2 LEU 45 0.417 3.895 0.753 299 2HB LEU 45 HB3 LEU 45 -0.595 5.302 0.491 300 HG LEU 45 HG LEU 45 -0.132 4.380 3.304 301 1HD1 LEU 45 HD11 LEU 45 1.951 5.604 3.473 302 2HD1 LEU 45 HD12 LEU 45 2.098 4.322 2.248 303 3HD1 LEU 45 HD13 LEU 45 1.885 6.016 1.743 304 1HD2 LEU 45 HD21 LEU 45 -0.340 7.155 2.107 305 2HD2 LEU 45 HD22 LEU 45 -1.712 6.223 2.754 306 3HD2 LEU 45 HD23 LEU 45 -0.381 6.711 3.831 307 HA PRO 46 HA PRO 46 -3.622 3.007 -2.283 308 1HB PRO 46 HB2 PRO 46 -4.482 5.416 -3.242 309 2HB PRO 46 HB3 PRO 46 -5.486 4.358 -2.271 310 1HG PRO 46 HG2 PRO 46 -4.130 6.864 -1.483 311 2HG PRO 46 HG3 PRO 46 -5.451 6.033 -0.685 312 1HD PRO 46 HD2 PRO 46 -2.696 6.041 0.115 313 2HD PRO 46 HD3 PRO 46 -3.997 5.118 0.843 314 H GLU 47 HN GLU 47 -3.121 3.309 -4.612 315 HA GLU 47 HA GLU 47 -0.265 3.555 -4.451 316 1HB GLU 47 HB2 GLU 47 -2.108 2.406 -6.591 317 2HB GLU 47 HB3 GLU 47 -0.360 2.406 -6.713 318 1HG GLU 47 HG2 GLU 47 -0.217 1.104 -4.574 319 2HG GLU 47 HG3 GLU 47 -1.966 1.094 -4.468 320 HE2 GLU 47 HE2 GLU 47 0.639 0.241 -6.394 321 H ASN 48 HN ASN 48 -2.782 5.627 -5.177 322 HA ASN 48 HA ASN 48 -1.831 6.724 -7.586 323 1HB ASN 48 HB2 ASN 48 -3.465 8.549 -7.099 324 2HB ASN 48 HB3 ASN 48 -4.194 6.975 -6.847 325 1HD2 ASN 48 HD21 ASN 48 -4.771 9.481 -4.008 326 2HD2 ASN 48 HD22 ASN 48 -4.828 9.617 -5.734 327 H ALA 49 HN ALA 49 -1.141 7.085 -4.135 328 HA ALA 49 HA ALA 49 0.094 9.680 -4.462 329 1HB ALA 49 HB1 ALA 49 0.456 9.484 -2.026 330 2HB ALA 49 HB2 ALA 49 -1.240 9.152 -2.454 331 3HB ALA 49 HB3 ALA 49 -0.138 7.807 -2.071 332 H LYS 50 HN LYS 50 2.317 10.085 -4.487 333 HA LYS 50 HA LYS 50 4.034 7.741 -4.643 334 1HB LYS 50 HB2 LYS 50 5.638 9.140 -5.633 335 2HB LYS 50 HB3 LYS 50 4.110 9.655 -6.317 336 1HG LYS 50 HG2 LYS 50 4.808 11.749 -5.702 337 2HG LYS 50 HG3 LYS 50 4.205 11.291 -4.122 338 1HD LYS 50 HD2 LYS 50 6.453 10.530 -3.435 339 2HD LYS 50 HD3 LYS 50 7.082 10.832 -5.042 340 1HE LYS 50 HE2 LYS 50 6.802 13.222 -4.817 341 2HE LYS 50 HE3 LYS 50 5.793 13.047 -3.395 342 1HZ LYS 50 HZ1 LYS 50 7.716 12.204 -2.179 343 2HZ LYS 50 HZ2 LYS 50 8.661 12.277 -3.504 344 H VAL 51 HN VAL 51 5.930 7.516 -3.274 345 HA VAL 51 HA VAL 51 5.686 8.963 -0.746 346 HB VAL 51 HB VAL 51 5.662 6.937 0.522 347 1HG1 VAL 51 HG11 VAL 51 3.489 7.836 -0.278 348 2HG1 VAL 51 HG12 VAL 51 3.565 6.721 -1.664 349 3HG1 VAL 51 HG13 VAL 51 3.454 6.077 -0.008 350 1HG2 VAL 51 HG21 VAL 51 7.028 5.493 -0.845 351 2HG2 VAL 51 HG22 VAL 51 5.452 4.706 -0.587 352 3HG2 VAL 51 HG23 VAL 51 5.810 5.492 -2.144 353 H SER 52 HN SER 52 7.695 8.979 0.504 354 HA SER 52 HA SER 52 10.002 8.018 -0.890 355 1HB SER 52 HB2 SER 52 10.557 9.905 0.355 356 2HB SER 52 HB3 SER 52 9.458 9.508 1.661 357 HG SER 52 HG SER 52 11.446 9.078 2.529 358 H ASP 53 HN ASP 53 11.539 6.441 0.244 359 HA ASP 53 HA ASP 53 10.142 4.595 1.961 360 1HB ASP 53 HB2 ASP 53 10.770 2.659 0.511 361 2HB ASP 53 HB3 ASP 53 9.630 3.734 -0.273 362 HD2 ASP 53 HD2 ASP 53 12.320 2.854 -2.608 363 H SER 54 HN SER 54 12.330 6.456 2.411 364 HA SER 54 HA SER 54 14.297 4.629 3.303 365 1HB SER 54 HB2 SER 54 16.193 5.895 2.090 366 2HB SER 54 HB3 SER 54 15.268 4.746 1.145 367 HG SER 54 HG SER 54 15.559 6.776 0.021 368 H ALA 55 HN ALA 55 12.993 5.915 5.088 369 HA ALA 55 HA ALA 55 13.161 7.308 6.800 370 1HB ALA 55 HB1 ALA 55 15.405 6.245 6.895 371 2HB ALA 55 HB2 ALA 55 16.054 7.556 5.880 372 3HB ALA 55 HB3 ALA 55 15.430 7.916 7.508 373 H THR 56 HN THR 56 11.926 8.496 4.645 374 HA THR 56 HA THR 56 11.042 10.540 4.458 375 HB THR 56 HB THR 56 13.316 11.616 6.191 376 HG1 THR 56 HG1 THR 56 11.685 10.977 7.905 377 1HG2 THR 56 HG21 THR 56 10.338 12.301 6.153 378 2HG2 THR 56 HG22 THR 56 11.649 13.200 6.954 379 3HG2 THR 56 HG23 THR 56 11.531 13.192 5.178 380 H ASN 57 HN ASN 57 14.602 11.225 4.614 381 HA ASN 57 HA ASN 57 15.818 12.448 3.260 382 1HB ASN 57 HB2 ASN 57 16.037 11.480 0.949 383 2HB ASN 57 HB3 ASN 57 15.994 10.232 2.179 384 1HD2 ASN 57 HD21 ASN 57 13.017 8.726 1.172 385 2HD2 ASN 57 HD22 ASN 57 14.293 8.846 2.337 386 H ILE 58 HN ILE 58 13.280 13.720 3.772 387 HA ILE 58 HA ILE 58 13.016 15.237 1.300 388 HB ILE 58 HB ILE 58 10.879 13.646 2.623 389 1HG1 ILE 58 HG12 ILE 58 11.310 14.491 -0.257 390 2HG1 ILE 58 HG13 ILE 58 11.942 13.016 0.447 391 1HG2 ILE 58 HG21 ILE 58 10.080 15.891 3.029 392 2HG2 ILE 58 HG22 ILE 58 10.393 16.346 1.337 393 3HG2 ILE 58 HG23 ILE 58 9.135 15.146 1.718 394 1HD1 ILE 58 HD11 ILE 58 9.040 13.792 0.006 395 2HD1 ILE 58 HD12 ILE 58 9.901 12.342 -0.564 396 3HD1 ILE 58 HD13 ILE 58 9.486 12.511 1.159 397 H CYS 59 HN CYS 59 12.372 17.467 1.668 398 HA CYS 59 HA CYS 59 13.087 19.292 2.659 399 1HB CYS 59 HB2 CYS 59 11.500 17.978 4.825 400 2HB CYS 59 HB3 CYS 59 12.431 19.409 5.222 401 H GLY 60 HN GLY 60 13.444 17.163 5.571 402 1HA GLY 60 HA1 GLY 60 15.230 16.706 6.857 403 2HA GLY 60 HA2 GLY 60 16.228 16.804 5.420 Start of MODEL 19 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.009 0.250 3 1HB LYS 1 HB2 LYS 1 1.530 -0.352 -2.127 4 2HB LYS 1 HB3 LYS 1 1.710 1.332 -1.677 5 1HG LYS 1 HG2 LYS 1 3.900 0.670 -2.333 6 2HG LYS 1 HG3 LYS 1 3.957 0.654 -0.582 7 1HD LYS 1 HD2 LYS 1 3.701 -1.767 -0.509 8 2HD LYS 1 HD3 LYS 1 3.321 -1.840 -2.219 9 1HE LYS 1 HE2 LYS 1 5.625 -0.988 -2.754 10 2HE LYS 1 HE3 LYS 1 6.001 -0.954 -1.042 11 1HZ LYS 1 HZ1 LYS 1 5.677 -3.347 -0.950 12 2HZ LYS 1 HZ2 LYS 1 5.200 -3.413 -2.506 13 H ASP 2 HN ASP 2 3.354 -0.421 1.711 14 HA ASP 2 HA ASP 2 3.376 2.348 2.538 15 1HB ASP 2 HB2 ASP 2 3.356 0.032 4.526 16 2HB ASP 2 HB3 ASP 2 3.419 1.737 4.925 17 HD2 ASP 2 HD2 ASP 2 -0.060 0.055 4.696 18 H GLY 3 HN GLY 3 5.511 2.983 3.347 19 1HA GLY 3 HA1 GLY 3 7.633 1.608 4.150 20 2HA GLY 3 HA2 GLY 3 7.625 1.188 2.449 21 H TYR 4 HN TYR 4 9.410 2.356 1.680 22 HA TYR 4 HA TYR 4 9.591 5.143 2.611 23 1HB TYR 4 HB2 TYR 4 11.797 3.143 1.831 24 2HB TYR 4 HB3 TYR 4 12.043 4.682 2.631 25 HD1 TYR 4 HD1 TYR 4 11.091 1.177 3.069 26 HD2 TYR 4 HD2 TYR 4 11.487 4.962 5.025 27 HE1 TYR 4 HE1 TYR 4 10.975 0.027 5.334 28 HE2 TYR 4 HE2 TYR 4 11.369 3.799 7.283 29 HH TYR 4 HH TYR 4 10.954 0.272 7.474 30 HA PRO 5 HA PRO 5 9.634 5.827 -1.752 31 1HB PRO 5 HB2 PRO 5 9.040 8.492 -1.633 32 2HB PRO 5 HB3 PRO 5 7.817 7.240 -1.716 33 1HG PRO 5 HG2 PRO 5 8.650 8.866 0.608 34 2HG PRO 5 HG3 PRO 5 7.180 7.937 0.388 35 1HD PRO 5 HD2 PRO 5 9.455 7.203 1.974 36 2HD PRO 5 HD3 PRO 5 8.035 6.224 1.661 37 H VAL 6 HN VAL 6 11.167 6.500 -3.228 38 HA VAL 6 HA VAL 6 12.929 8.593 -2.329 39 HB VAL 6 HB VAL 6 14.023 6.661 -1.382 40 1HG1 VAL 6 HG11 VAL 6 14.802 4.784 -2.750 41 2HG1 VAL 6 HG12 VAL 6 13.029 4.926 -2.819 42 3HG1 VAL 6 HG13 VAL 6 14.021 5.490 -4.186 43 1HG2 VAL 6 HG21 VAL 6 16.210 6.881 -2.421 44 2HG2 VAL 6 HG22 VAL 6 15.474 7.544 -3.900 45 3HG2 VAL 6 HG23 VAL 6 15.402 8.467 -2.380 46 H ASP 7 HN ASP 7 13.458 9.891 -4.044 47 HA ASP 7 HA ASP 7 13.963 8.819 -6.566 48 1HB ASP 7 HB2 ASP 7 11.970 10.420 -7.522 49 2HB ASP 7 HB3 ASP 7 11.793 8.691 -7.294 50 HD2 ASP 7 HD2 ASP 7 9.992 11.112 -4.639 51 H SER 8 HN SER 8 12.260 11.823 -5.371 52 HA SER 8 HA SER 8 14.122 13.408 -6.836 53 1HB SER 8 HB2 SER 8 12.654 15.265 -5.565 54 2HB SER 8 HB3 SER 8 12.055 14.416 -6.976 55 HG SER 8 HG SER 8 10.645 13.280 -5.767 56 H LYS 9 HN LYS 9 13.418 12.527 -3.439 57 HA LYS 9 HA LYS 9 15.142 14.556 -2.380 58 1HB LYS 9 HB2 LYS 9 14.578 13.581 -0.223 59 2HB LYS 9 HB3 LYS 9 13.134 13.839 -1.181 60 1HG LYS 9 HG2 LYS 9 13.955 11.238 -1.894 61 2HG LYS 9 HG3 LYS 9 14.278 11.319 -0.174 62 1HD LYS 9 HD2 LYS 9 12.041 10.651 -0.146 63 2HD LYS 9 HD3 LYS 9 11.849 12.390 -0.045 64 1HE LYS 9 HE2 LYS 9 11.815 10.847 -2.681 65 2HE LYS 9 HE3 LYS 9 10.367 11.248 -1.779 66 1HZ LYS 9 HZ1 LYS 9 11.077 12.884 -3.572 67 2HZ LYS 9 HZ2 LYS 9 10.746 13.548 -2.122 68 H GLY 10 HN GLY 10 15.505 11.344 -3.708 69 1HA GLY 10 HA1 GLY 10 17.556 10.805 -4.623 70 2HA GLY 10 HA2 GLY 10 18.367 11.860 -3.483 71 H CYS 11 HN CYS 11 17.932 11.126 -1.014 72 HA CYS 11 HA CYS 11 17.902 8.225 -0.857 73 1HB CYS 11 HB2 CYS 11 20.181 9.962 0.092 74 2HB CYS 11 HB3 CYS 11 19.889 8.352 0.721 75 H LYS 12 HN LYS 12 15.698 9.438 -0.153 76 HA LYS 12 HA LYS 12 14.283 9.809 1.499 77 1HB LYS 12 HB2 LYS 12 16.344 8.096 2.704 78 2HB LYS 12 HB3 LYS 12 15.455 9.042 3.880 79 1HG LYS 12 HG2 LYS 12 13.302 8.221 2.961 80 2HG LYS 12 HG3 LYS 12 14.149 7.338 1.707 81 1HD LYS 12 HD2 LYS 12 14.812 6.822 4.622 82 2HD LYS 12 HD3 LYS 12 13.392 6.083 3.909 83 1HE LYS 12 HE2 LYS 12 14.764 5.002 2.168 84 2HE LYS 12 HE3 LYS 12 16.198 5.840 2.726 85 1HZ LYS 12 HZ1 LYS 12 15.869 4.678 4.906 86 2HZ LYS 12 HZ2 LYS 12 14.666 3.802 4.245 87 H LEU 13 HN LEU 13 14.267 10.883 3.974 88 HA LEU 13 HA LEU 13 15.446 13.482 3.343 89 1HB LEU 13 HB2 LEU 13 13.136 12.736 5.143 90 2HB LEU 13 HB3 LEU 13 13.714 14.364 4.851 91 HG LEU 13 HG LEU 13 13.256 13.642 2.304 92 1HD1 LEU 13 HD11 LEU 13 11.114 12.363 2.219 93 2HD1 LEU 13 HD12 LEU 13 12.522 11.402 2.733 94 3HD1 LEU 13 HD13 LEU 13 11.339 11.963 3.939 95 1HD2 LEU 13 HD21 LEU 13 11.104 14.802 2.469 96 2HD2 LEU 13 HD22 LEU 13 11.144 14.631 4.241 97 3HD2 LEU 13 HD23 LEU 13 12.368 15.625 3.415 98 H SER 14 HN SER 14 16.390 10.814 4.967 99 HA SER 14 HA SER 14 17.163 10.271 6.943 100 1HB SER 14 HB2 SER 14 19.048 11.748 7.749 101 2HB SER 14 HB3 SER 14 19.146 11.321 6.053 102 HG SER 14 HG SER 14 17.872 13.765 6.902 103 H CYS 15 HN CYS 15 14.770 10.742 7.693 104 HA CYS 15 HA CYS 15 14.296 13.194 9.009 105 1HB CYS 15 HB2 CYS 15 12.189 12.187 9.699 106 2HB CYS 15 HB3 CYS 15 12.487 11.974 7.985 107 H VAL 16 HN VAL 16 14.186 13.589 11.311 108 HA VAL 16 HA VAL 16 15.048 11.345 12.993 109 HB VAL 16 HB VAL 16 16.238 12.990 14.403 110 1HG1 VAL 16 HG11 VAL 16 17.219 12.897 11.529 111 2HG1 VAL 16 HG12 VAL 16 18.210 13.196 12.977 112 3HG1 VAL 16 HG13 VAL 16 17.436 11.610 12.740 113 1HG2 VAL 16 HG21 VAL 16 15.826 14.913 12.089 114 2HG2 VAL 16 HG22 VAL 16 14.981 15.001 13.654 115 3HG2 VAL 16 HG23 VAL 16 16.747 15.215 13.582 116 H ALA 17 HN ALA 17 12.396 12.670 12.071 117 HA ALA 17 HA ALA 17 11.159 12.645 14.635 118 1HB ALA 17 HB1 ALA 17 11.400 15.286 13.139 119 2HB ALA 17 HB2 ALA 17 10.323 14.991 14.525 120 3HB ALA 17 HB3 ALA 17 12.089 14.905 14.735 121 H ASN 18 HN ASN 18 8.822 12.569 14.432 122 HA ASN 18 HA ASN 18 8.226 11.086 12.160 123 1HB ASN 18 HB2 ASN 18 6.544 12.223 14.438 124 2HB ASN 18 HB3 ASN 18 5.797 11.303 13.146 125 1HD2 ASN 18 HD21 ASN 18 6.972 9.254 16.188 126 2HD2 ASN 18 HD22 ASN 18 6.191 10.794 16.050 127 H ASN 19 HN ASN 19 7.405 14.421 13.294 128 HA ASN 19 HA ASN 19 5.434 14.920 11.431 129 1HB ASN 19 HB2 ASN 19 5.939 17.363 11.957 130 2HB ASN 19 HB3 ASN 19 5.693 16.367 13.378 131 1HD2 ASN 19 HD21 ASN 19 9.189 18.307 12.686 132 2HD2 ASN 19 HD22 ASN 19 7.808 18.388 11.644 133 H TYR 20 HN TYR 20 8.983 14.977 11.303 134 HA TYR 20 HA TYR 20 9.208 16.807 9.142 135 1HB TYR 20 HB2 TYR 20 10.885 16.046 11.021 136 2HB TYR 20 HB3 TYR 20 11.099 14.574 10.095 137 HD1 TYR 20 HD1 TYR 20 12.457 14.530 8.107 138 HD2 TYR 20 HD2 TYR 20 11.648 18.236 10.087 139 HE1 TYR 20 HE1 TYR 20 14.258 15.672 6.723 140 HE2 TYR 20 HE2 TYR 20 13.452 19.365 8.696 141 HH TYR 20 HH TYR 20 15.365 17.489 6.361 142 H CYS 21 HN CYS 21 8.702 13.304 9.442 143 HA CYS 21 HA CYS 21 9.176 12.912 6.630 144 1HB CYS 21 HB2 CYS 21 9.758 11.076 7.985 145 2HB CYS 21 HB3 CYS 21 8.251 11.134 8.876 146 H ASP 22 HN ASP 22 6.430 13.269 8.976 147 HA ASP 22 HA ASP 22 4.641 11.883 7.445 148 1HB ASP 22 HB2 ASP 22 4.455 12.607 9.897 149 2HB ASP 22 HB3 ASP 22 3.973 14.193 9.327 150 HD2 ASP 22 HD2 ASP 22 0.814 12.784 9.866 151 H ASN 23 HN ASN 23 5.627 15.327 7.456 152 HA ASN 23 HA ASN 23 3.370 16.330 6.191 153 1HB ASN 23 HB2 ASN 23 4.699 18.362 5.880 154 2HB ASN 23 HB3 ASN 23 5.128 17.678 7.435 155 1HD2 ASN 23 HD21 ASN 23 8.418 16.754 6.626 156 2HD2 ASN 23 HD22 ASN 23 7.130 16.803 7.783 157 H GLN 24 HN GLN 24 6.464 14.901 5.062 158 HA GLN 24 HA GLN 24 6.225 15.940 2.447 159 1HB GLN 24 HB2 GLN 24 8.333 15.048 2.101 160 2HB GLN 24 HB3 GLN 24 8.337 15.121 3.852 161 1HG GLN 24 HG2 GLN 24 9.017 12.912 3.526 162 2HG GLN 24 HG3 GLN 24 7.287 12.685 3.683 163 1HE2 GLN 24 HE21 GLN 24 9.000 12.637 -0.105 164 2HE2 GLN 24 HE22 GLN 24 9.627 13.635 1.164 165 H CYS 25 HN CYS 25 5.079 13.069 4.146 166 HA CYS 25 HA CYS 25 4.454 11.574 1.839 167 1HB CYS 25 HB2 CYS 25 3.046 11.489 4.511 168 2HB CYS 25 HB3 CYS 25 3.076 10.239 3.283 169 H LYS 26 HN LYS 26 2.603 13.846 3.999 170 HA LYS 26 HA LYS 26 0.165 13.458 2.704 171 1HB LYS 26 HB2 LYS 26 1.229 15.640 4.505 172 2HB LYS 26 HB3 LYS 26 -0.409 15.659 3.886 173 1HG LYS 26 HG2 LYS 26 -0.911 13.507 4.934 174 2HG LYS 26 HG3 LYS 26 0.768 13.270 5.375 175 1HD LYS 26 HD2 LYS 26 0.684 15.213 6.904 176 2HD LYS 26 HD3 LYS 26 -0.956 15.574 6.402 177 1HE LYS 26 HE2 LYS 26 -1.782 13.467 7.348 178 2HE LYS 26 HE3 LYS 26 -0.150 12.921 7.681 179 1HZ LYS 26 HZ1 LYS 26 0.075 14.851 9.211 180 2HZ LYS 26 HZ2 LYS 26 -1.483 15.249 8.956 181 H MET 27 HN MET 27 2.900 15.689 2.093 182 HA MET 27 HA MET 27 1.467 17.582 0.707 183 1HB MET 27 HB2 MET 27 4.365 16.679 0.804 184 2HB MET 27 HB3 MET 27 3.912 17.871 -0.399 185 1HG MET 27 HG2 MET 27 3.264 19.474 1.245 186 2HG MET 27 HG3 MET 27 3.095 18.264 2.500 187 1HE MET 27 HE1 MET 27 5.429 20.238 0.211 188 2HE MET 27 HE2 MET 27 7.067 19.827 0.773 189 3HE MET 27 HE3 MET 27 6.108 18.627 -0.126 190 H LYS 28 HN LYS 28 2.745 14.427 -0.306 191 HA LYS 28 HA LYS 28 1.507 14.724 -2.885 192 1HB LYS 28 HB2 LYS 28 3.906 13.942 -3.832 193 2HB LYS 28 HB3 LYS 28 3.358 15.606 -3.823 194 1HG LYS 28 HG2 LYS 28 4.546 16.065 -1.736 195 2HG LYS 28 HG3 LYS 28 4.929 14.369 -1.518 196 1HD LYS 28 HD2 LYS 28 6.293 14.415 -3.624 197 2HD LYS 28 HD3 LYS 28 5.923 16.116 -3.821 198 1HE LYS 28 HE2 LYS 28 8.070 16.071 -2.764 199 2HE LYS 28 HE3 LYS 28 6.948 16.492 -1.486 200 1HZ LYS 28 HZ1 LYS 28 8.557 14.673 -0.914 201 2HZ LYS 28 HZ2 LYS 28 7.002 14.249 -0.683 202 H LYS 29 HN LYS 29 3.798 12.699 -0.827 203 HA LYS 29 HA LYS 29 3.777 10.849 -2.954 204 1HB LYS 29 HB2 LYS 29 5.004 10.832 -0.189 205 2HB LYS 29 HB3 LYS 29 5.205 9.508 -1.318 206 1HG LYS 29 HG2 LYS 29 5.776 12.330 -2.252 207 2HG LYS 29 HG3 LYS 29 6.961 11.509 -1.256 208 1HD LYS 29 HD2 LYS 29 7.418 9.881 -2.880 209 2HD LYS 29 HD3 LYS 29 5.827 9.998 -3.604 210 1HE LYS 29 HE2 LYS 29 7.483 10.989 -5.123 211 2HE LYS 29 HE3 LYS 29 6.414 12.247 -4.536 212 1HZ LYS 29 HZ1 LYS 29 8.706 12.971 -4.362 213 2HZ LYS 29 HZ2 LYS 29 8.130 12.790 -2.850 214 H ALA 30 HN ALA 30 2.064 11.073 0.187 215 HA ALA 30 HA ALA 30 0.607 8.657 -0.374 216 1HB ALA 30 HB1 ALA 30 2.099 8.497 2.192 217 2HB ALA 30 HB2 ALA 30 1.681 7.217 1.029 218 3HB ALA 30 HB3 ALA 30 3.077 8.277 0.721 219 H SER 31 HN SER 31 -0.446 8.113 2.103 220 HA SER 31 HA SER 31 -2.095 10.427 2.304 221 1HB SER 31 HB2 SER 31 -2.220 7.719 3.704 222 2HB SER 31 HB3 SER 31 -3.454 8.956 3.839 223 HG SER 31 HG SER 31 -2.604 7.727 1.355 224 H GLY 32 HN GLY 32 0.539 8.900 4.085 225 1HA GLY 32 HA1 GLY 32 0.994 11.052 5.788 226 2HA GLY 32 HA2 GLY 32 -0.023 9.924 6.662 227 H GLY 33 HN GLY 33 2.110 9.914 8.032 228 1HA GLY 33 HA1 GLY 33 2.700 7.358 8.320 229 2HA GLY 33 HA2 GLY 33 3.874 7.785 7.092 230 H HIS 34 HN HIS 34 5.651 7.388 8.601 231 HA HIS 34 HA HIS 34 5.922 9.371 10.689 232 1HB HIS 34 HB2 HIS 34 5.832 6.414 11.346 233 2HB HIS 34 HB3 HIS 34 6.143 7.724 12.468 234 HD1 HIS 34 HD1 HIS 34 4.047 9.473 12.795 235 HD2 HIS 34 HD2 HIS 34 3.177 5.750 11.069 236 HE1 HIS 34 HE1 HIS 34 1.524 9.158 13.009 237 H CYS 35 HN CYS 35 8.102 8.772 11.971 238 HA CYS 35 HA CYS 35 10.017 8.282 9.825 239 1HB CYS 35 HB2 CYS 35 10.142 10.463 10.921 240 2HB CYS 35 HB3 CYS 35 10.355 9.692 12.480 241 H TYR 36 HN TYR 36 10.542 6.102 9.799 242 HA TYR 36 HA TYR 36 10.693 4.735 12.388 243 1HB TYR 36 HB2 TYR 36 9.152 3.947 10.501 244 2HB TYR 36 HB3 TYR 36 10.548 3.801 9.452 245 HD1 TYR 36 HD1 TYR 36 8.681 2.287 12.213 246 HD2 TYR 36 HD2 TYR 36 12.193 1.988 9.787 247 HE1 TYR 36 HE1 TYR 36 9.021 -0.111 12.988 248 HE2 TYR 36 HE2 TYR 36 12.521 -0.409 10.570 249 HH TYR 36 HH TYR 36 10.225 -1.891 12.847 250 H ALA 37 HN ALA 37 12.655 4.229 13.221 251 HA ALA 37 HA ALA 37 14.879 4.045 13.344 252 1HB ALA 37 HB1 ALA 37 14.089 1.807 12.600 253 2HB ALA 37 HB2 ALA 37 14.366 2.288 10.909 254 3HB ALA 37 HB3 ALA 37 15.739 2.159 12.034 255 H MET 38 HN MET 38 14.402 6.493 12.287 256 HA MET 38 HA MET 38 15.371 8.109 11.203 257 1HB MET 38 HB2 MET 38 17.418 6.421 12.058 258 2HB MET 38 HB3 MET 38 17.778 6.545 10.347 259 1HG MET 38 HG2 MET 38 17.269 8.996 12.095 260 2HG MET 38 HG3 MET 38 18.869 8.319 11.867 261 1HE MET 38 HE1 MET 38 19.838 9.078 8.311 262 2HE MET 38 HE2 MET 38 20.368 8.834 9.993 263 3HE MET 38 HE3 MET 38 19.487 7.543 9.141 264 H SER 39 HN SER 39 13.550 6.605 9.654 265 HA SER 39 HA SER 39 14.483 7.478 7.115 266 1HB SER 39 HB2 SER 39 14.155 4.551 7.738 267 2HB SER 39 HB3 SER 39 13.623 5.113 6.166 268 HG SER 39 HG SER 39 16.252 5.669 7.242 269 H CYS 40 HN CYS 40 12.682 7.908 5.666 270 HA CYS 40 HA CYS 40 10.435 8.552 7.307 271 1HB CYS 40 HB2 CYS 40 11.289 10.250 5.865 272 2HB CYS 40 HB3 CYS 40 11.176 9.214 4.456 273 H TYR 41 HN TYR 41 9.032 6.839 7.692 274 HA TYR 41 HA TYR 41 8.452 5.010 5.504 275 1HB TYR 41 HB2 TYR 41 8.964 4.279 7.889 276 2HB TYR 41 HB3 TYR 41 7.615 5.240 8.463 277 HD1 TYR 41 HD1 TYR 41 5.419 4.351 8.517 278 HD2 TYR 41 HD2 TYR 41 8.481 2.294 6.351 279 HE1 TYR 41 HE1 TYR 41 3.877 2.351 8.223 280 HE2 TYR 41 HE2 TYR 41 6.930 0.301 6.064 281 HH TYR 41 HH TYR 41 3.678 0.327 7.498 282 H CYS 42 HN CYS 42 7.052 5.981 4.048 283 HA CYS 42 HA CYS 42 4.848 7.518 5.105 284 1HB CYS 42 HB2 CYS 42 5.895 6.993 2.329 285 2HB CYS 42 HB3 CYS 42 4.336 7.748 2.594 286 H GLU 43 HN GLU 43 2.582 7.003 4.150 287 HA GLU 43 HA GLU 43 2.277 4.118 3.973 288 1HB GLU 43 HB2 GLU 43 0.900 5.964 5.966 289 2HB GLU 43 HB3 GLU 43 0.311 4.354 5.603 290 1HG GLU 43 HG2 GLU 43 2.587 3.432 6.238 291 2HG GLU 43 HG3 GLU 43 3.071 5.048 6.713 292 HE2 GLU 43 HE2 GLU 43 0.656 2.949 9.094 293 H GLY 44 HN GLY 44 0.635 3.452 2.578 294 1HA GLY 44 HA1 GLY 44 -1.171 3.640 1.200 295 2HA GLY 44 HA2 GLY 44 -1.421 5.292 1.727 296 H LEU 45 HN LEU 45 1.312 3.500 0.112 297 HA LEU 45 HA LEU 45 1.794 5.875 -1.477 298 1HB LEU 45 HB2 LEU 45 3.318 3.317 -1.015 299 2HB LEU 45 HB3 LEU 45 3.802 4.504 -2.209 300 HG LEU 45 HG LEU 45 3.368 5.413 0.613 301 1HD1 LEU 45 HD11 LEU 45 4.682 3.383 0.894 302 2HD1 LEU 45 HD12 LEU 45 5.847 3.945 -0.329 303 3HD1 LEU 45 HD13 LEU 45 5.676 4.825 1.209 304 1HD2 LEU 45 HD21 LEU 45 5.089 7.020 0.065 305 2HD2 LEU 45 HD22 LEU 45 5.395 6.215 -1.492 306 3HD2 LEU 45 HD23 LEU 45 3.838 7.027 -1.202 307 HA PRO 46 HA PRO 46 0.493 3.824 -5.220 308 1HB PRO 46 HB2 PRO 46 1.959 5.242 -7.039 309 2HB PRO 46 HB3 PRO 46 0.378 5.748 -6.478 310 1HG PRO 46 HG2 PRO 46 3.034 6.829 -5.759 311 2HG PRO 46 HG3 PRO 46 1.457 7.567 -5.558 312 1HD PRO 46 HD2 PRO 46 3.052 6.344 -3.512 313 2HD PRO 46 HD3 PRO 46 1.428 6.977 -3.336 314 H GLU 47 HN GLU 47 1.144 2.099 -6.481 315 HA GLU 47 HA GLU 47 3.604 1.051 -5.486 316 1HB GLU 47 HB2 GLU 47 1.482 -0.055 -7.370 317 2HB GLU 47 HB3 GLU 47 2.921 -0.953 -6.931 318 1HG GLU 47 HG2 GLU 47 2.302 -0.772 -4.515 319 2HG GLU 47 HG3 GLU 47 0.869 0.140 -4.947 320 HE2 GLU 47 HE2 GLU 47 0.317 -1.771 -3.689 321 H ASN 48 HN ASN 48 2.520 2.873 -8.244 322 HA ASN 48 HA ASN 48 4.360 1.786 -10.084 323 1HB ASN 48 HB2 ASN 48 3.699 3.806 -11.471 324 2HB ASN 48 HB3 ASN 48 2.325 2.879 -10.903 325 1HD2 ASN 48 HD21 ASN 48 0.840 5.447 -9.132 326 2HD2 ASN 48 HD22 ASN 48 0.810 3.815 -9.712 327 H ALA 49 HN ALA 49 4.449 4.117 -7.474 328 HA ALA 49 HA ALA 49 6.804 5.471 -8.441 329 1HB ALA 49 HB1 ALA 49 5.385 5.475 -5.745 330 2HB ALA 49 HB2 ALA 49 6.699 6.575 -6.225 331 3HB ALA 49 HB3 ALA 49 5.131 6.641 -7.065 332 H LYS 50 HN LYS 50 8.928 5.250 -7.533 333 HA LYS 50 HA LYS 50 9.505 2.544 -6.802 334 1HB LYS 50 HB2 LYS 50 10.857 4.085 -8.350 335 2HB LYS 50 HB3 LYS 50 11.447 4.857 -6.892 336 1HG LYS 50 HG2 LYS 50 11.561 1.843 -7.056 337 2HG LYS 50 HG3 LYS 50 12.729 2.767 -7.979 338 1HD LYS 50 HD2 LYS 50 13.497 3.927 -5.943 339 2HD LYS 50 HD3 LYS 50 12.242 3.162 -4.990 340 1HE LYS 50 HE2 LYS 50 13.253 0.899 -5.627 341 2HE LYS 50 HE3 LYS 50 14.583 1.768 -6.367 342 1HZ LYS 50 HZ1 LYS 50 15.034 2.799 -4.193 343 2HZ LYS 50 HZ2 LYS 50 13.804 1.980 -3.507 344 H VAL 51 HN VAL 51 9.005 1.870 -4.773 345 HA VAL 51 HA VAL 51 10.138 3.492 -2.612 346 HB VAL 51 HB VAL 51 8.248 3.220 -1.259 347 1HG1 VAL 51 HG11 VAL 51 6.481 4.332 -2.461 348 2HG1 VAL 51 HG12 VAL 51 8.041 4.932 -3.076 349 3HG1 VAL 51 HG13 VAL 51 7.108 3.747 -4.021 350 1HG2 VAL 51 HG21 VAL 51 7.251 1.227 -3.315 351 2HG2 VAL 51 HG22 VAL 51 7.687 0.924 -1.616 352 3HG2 VAL 51 HG23 VAL 51 6.240 1.884 -2.005 353 H SER 52 HN SER 52 11.041 2.249 -0.864 354 HA SER 52 HA SER 52 11.170 -0.589 -1.351 355 1HB SER 52 HB2 SER 52 13.237 0.380 -0.604 356 2HB SER 52 HB3 SER 52 12.450 1.266 0.687 357 HG SER 52 HG SER 52 13.371 -0.494 1.698 358 H ASP 53 HN ASP 53 10.322 -2.179 0.227 359 HA ASP 53 HA ASP 53 9.149 -0.942 2.574 360 1HB ASP 53 HB2 ASP 53 7.378 -2.722 2.590 361 2HB ASP 53 HB3 ASP 53 7.235 -1.625 1.231 362 HD2 ASP 53 HD2 ASP 53 8.907 -4.684 -0.431 363 H SER 54 HN SER 54 11.810 -2.171 1.925 364 HA SER 54 HA SER 54 11.604 -4.611 3.503 365 1HB SER 54 HB2 SER 54 13.519 -5.470 1.975 366 2HB SER 54 HB3 SER 54 11.890 -5.481 1.328 367 HG SER 54 HG SER 54 13.495 -4.582 -0.159 368 H ALA 55 HN ALA 55 12.232 -2.623 5.097 369 HA ALA 55 HA ALA 55 13.703 -2.432 6.737 370 1HB ALA 55 HB1 ALA 55 15.137 -4.725 5.337 371 2HB ALA 55 HB2 ALA 55 15.331 -4.239 7.038 372 3HB ALA 55 HB3 ALA 55 13.779 -4.905 6.474 373 H THR 56 HN THR 56 14.001 -0.601 4.554 374 HA THR 56 HA THR 56 15.344 1.162 4.375 375 HB THR 56 HB THR 56 16.949 0.025 6.705 376 HG1 THR 56 HG1 THR 56 14.265 1.192 6.493 377 1HG2 THR 56 HG21 THR 56 17.455 2.354 5.739 378 2HG2 THR 56 HG22 THR 56 15.798 2.815 6.200 379 3HG2 THR 56 HG23 THR 56 16.973 2.345 7.452 380 H ASN 57 HN ASN 57 15.863 -0.646 2.454 381 HA ASN 57 HA ASN 57 18.639 -1.356 2.602 382 1HB ASN 57 HB2 ASN 57 18.175 -2.473 0.393 383 2HB ASN 57 HB3 ASN 57 17.057 -2.988 1.640 384 1HD2 ASN 57 HD21 ASN 57 14.166 -1.826 0.114 385 2HD2 ASN 57 HD22 ASN 57 14.932 -2.610 1.455 386 H ILE 58 HN ILE 58 16.759 1.336 1.711 387 HA ILE 58 HA ILE 58 18.155 2.106 -0.651 388 HB ILE 58 HB ILE 58 16.331 3.589 1.242 389 1HG1 ILE 58 HG12 ILE 58 15.690 2.703 -1.565 390 2HG1 ILE 58 HG13 ILE 58 15.521 1.593 -0.220 391 1HG2 ILE 58 HG21 ILE 58 16.156 5.268 -0.598 392 2HG2 ILE 58 HG22 ILE 58 17.740 5.229 0.212 393 3HG2 ILE 58 HG23 ILE 58 17.540 4.476 -1.389 394 1HD1 ILE 58 HD11 ILE 58 14.241 4.363 -0.293 395 2HD1 ILE 58 HD12 ILE 58 13.407 2.863 -0.765 396 3HD1 ILE 58 HD13 ILE 58 13.956 3.085 0.914 397 H CYS 59 HN CYS 59 19.651 3.914 -0.850 398 HA CYS 59 HA CYS 59 21.851 3.691 0.636 399 1HB CYS 59 HB2 CYS 59 22.159 6.248 0.039 400 2HB CYS 59 HB3 CYS 59 22.251 4.982 -1.169 401 H GLY 60 HN GLY 60 19.297 6.250 1.131 402 1HA GLY 60 HA1 GLY 60 18.541 7.247 2.997 403 2HA GLY 60 HA2 GLY 60 19.132 5.870 3.906 Start of MODEL 20 1 H LYS 1 HN LYS 1 -0.423 0.906 0.000 2 HA LYS 1 HA LYS 1 1.780 -1.037 0.076 3 1HB LYS 1 HB2 LYS 1 1.506 0.034 -2.156 4 2HB LYS 1 HB3 LYS 1 1.738 1.604 -1.414 5 1HG LYS 1 HG2 LYS 1 3.997 0.999 -0.680 6 2HG LYS 1 HG3 LYS 1 3.768 -0.664 -1.181 7 1HD LYS 1 HD2 LYS 1 3.546 0.063 -3.554 8 2HD LYS 1 HD3 LYS 1 3.723 1.738 -3.070 9 1HE LYS 1 HE2 LYS 1 5.884 0.916 -3.877 10 2HE LYS 1 HE3 LYS 1 6.004 1.224 -2.156 11 1HZ LYS 1 HZ1 LYS 1 5.892 -1.084 -1.698 12 2HZ LYS 1 HZ2 LYS 1 5.351 -1.476 -3.183 13 H ASP 2 HN ASP 2 3.472 -0.606 1.513 14 HA ASP 2 HA ASP 2 3.218 1.780 3.104 15 1HB ASP 2 HB2 ASP 2 3.156 -0.998 4.367 16 2HB ASP 2 HB3 ASP 2 3.078 0.530 5.221 17 HD2 ASP 2 HD2 ASP 2 -0.254 -1.137 4.120 18 H GLY 3 HN GLY 3 5.217 2.166 4.365 19 1HA GLY 3 HA1 GLY 3 7.227 0.600 5.070 20 2HA GLY 3 HA2 GLY 3 7.523 0.695 3.345 21 H TYR 4 HN TYR 4 9.586 1.775 4.010 22 HA TYR 4 HA TYR 4 9.208 4.539 4.877 23 1HB TYR 4 HB2 TYR 4 11.738 2.911 4.233 24 2HB TYR 4 HB3 TYR 4 11.671 4.373 5.196 25 HD1 TYR 4 HD1 TYR 4 11.295 0.757 5.197 26 HD2 TYR 4 HD2 TYR 4 10.656 4.313 7.489 27 HE1 TYR 4 HE1 TYR 4 11.059 -0.638 7.309 28 HE2 TYR 4 HE2 TYR 4 10.422 2.906 9.593 29 HH TYR 4 HH TYR 4 10.727 -0.635 9.438 30 HA PRO 5 HA PRO 5 9.492 5.578 0.638 31 1HB PRO 5 HB2 PRO 5 8.823 8.216 0.884 32 2HB PRO 5 HB3 PRO 5 7.635 6.935 0.748 33 1HG PRO 5 HG2 PRO 5 8.436 8.475 3.142 34 2HG PRO 5 HG3 PRO 5 6.992 7.515 2.886 35 1HD PRO 5 HD2 PRO 5 9.295 6.773 4.425 36 2HD PRO 5 HD3 PRO 5 7.902 5.770 4.073 37 H VAL 6 HN VAL 6 11.181 5.973 -0.660 38 HA VAL 6 HA VAL 6 13.122 7.882 0.392 39 HB VAL 6 HB VAL 6 14.952 6.330 -0.062 40 1HG1 VAL 6 HG11 VAL 6 14.775 5.053 1.926 41 2HG1 VAL 6 HG12 VAL 6 13.795 6.513 2.206 42 3HG1 VAL 6 HG13 VAL 6 13.001 4.970 1.811 43 1HG2 VAL 6 HG21 VAL 6 14.068 4.895 -1.747 44 2HG2 VAL 6 HG22 VAL 6 14.385 3.873 -0.325 45 3HG2 VAL 6 HG23 VAL 6 12.721 4.380 -0.704 46 H ASP 7 HN ASP 7 13.747 9.285 -1.174 47 HA ASP 7 HA ASP 7 14.152 8.411 -3.809 48 1HB ASP 7 HB2 ASP 7 12.376 10.313 -4.579 49 2HB ASP 7 HB3 ASP 7 11.959 8.615 -4.467 50 HD2 ASP 7 HD2 ASP 7 11.016 11.604 -3.479 51 H SER 8 HN SER 8 12.836 11.465 -2.296 52 HA SER 8 HA SER 8 14.881 12.947 -3.615 53 1HB SER 8 HB2 SER 8 13.717 14.919 -2.551 54 2HB SER 8 HB3 SER 8 12.670 13.917 -3.537 55 HG SER 8 HG SER 8 11.705 14.491 -1.470 56 H LYS 9 HN LYS 9 14.072 11.826 -0.313 57 HA LYS 9 HA LYS 9 16.158 13.360 0.909 58 1HB LYS 9 HB2 LYS 9 15.506 12.244 2.938 59 2HB LYS 9 HB3 LYS 9 14.064 12.749 2.080 60 1HG LYS 9 HG2 LYS 9 14.460 10.215 1.028 61 2HG LYS 9 HG3 LYS 9 15.055 10.003 2.663 62 1HD LYS 9 HD2 LYS 9 12.772 9.540 2.940 63 2HD LYS 9 HD3 LYS 9 12.836 11.234 3.381 64 1HE LYS 9 HE2 LYS 9 12.150 11.875 1.067 65 2HE LYS 9 HE3 LYS 9 12.117 10.186 0.601 66 1HZ LYS 9 HZ1 LYS 9 10.399 11.403 2.699 67 2HZ LYS 9 HZ2 LYS 9 9.901 10.953 1.216 68 H GLY 10 HN GLY 10 15.894 10.375 -0.870 69 1HA GLY 10 HA1 GLY 10 17.688 9.235 -1.734 70 2HA GLY 10 HA2 GLY 10 18.763 10.020 -0.595 71 H CYS 11 HN CYS 11 18.200 9.426 1.869 72 HA CYS 11 HA CYS 11 17.716 6.552 1.960 73 1HB CYS 11 HB2 CYS 11 20.251 7.968 2.737 74 2HB CYS 11 HB3 CYS 11 19.768 6.496 3.556 75 H LYS 12 HN LYS 12 15.656 7.361 2.969 76 HA LYS 12 HA LYS 12 14.499 7.166 4.842 77 1HB LYS 12 HB2 LYS 12 17.203 6.829 6.172 78 2HB LYS 12 HB3 LYS 12 15.665 6.598 6.978 79 1HG LYS 12 HG2 LYS 12 16.447 5.097 4.438 80 2HG LYS 12 HG3 LYS 12 16.760 4.475 6.046 81 1HD LYS 12 HD2 LYS 12 14.176 4.939 6.440 82 2HD LYS 12 HD3 LYS 12 14.091 4.945 4.689 83 1HE LYS 12 HE2 LYS 12 15.256 2.669 6.366 84 2HE LYS 12 HE3 LYS 12 13.645 2.676 5.676 85 1HZ LYS 12 HZ1 LYS 12 14.818 3.012 3.454 86 2HZ LYS 12 HZ2 LYS 12 16.213 2.631 4.203 87 H LEU 13 HN LEU 13 14.025 8.377 6.994 88 HA LEU 13 HA LEU 13 15.464 10.896 7.181 89 1HB LEU 13 HB2 LEU 13 13.524 12.254 7.132 90 2HB LEU 13 HB3 LEU 13 13.569 11.303 5.660 91 HG LEU 13 HG LEU 13 12.012 9.734 7.312 92 1HD1 LEU 13 HD11 LEU 13 11.418 12.641 7.916 93 2HD1 LEU 13 HD12 LEU 13 10.290 11.299 8.224 94 3HD1 LEU 13 HD13 LEU 13 11.857 11.356 9.066 95 1HD2 LEU 13 HD21 LEU 13 11.515 10.092 5.006 96 2HD2 LEU 13 HD22 LEU 13 10.103 10.627 5.949 97 3HD2 LEU 13 HD23 LEU 13 11.229 11.828 5.272 98 H SER 14 HN SER 14 15.753 11.541 9.298 99 HA SER 14 HA SER 14 15.183 9.437 11.128 100 1HB SER 14 HB2 SER 14 16.652 12.086 11.504 101 2HB SER 14 HB3 SER 14 16.601 10.799 12.692 102 HG SER 14 HG SER 14 17.691 9.399 11.193 103 H CYS 15 HN CYS 15 12.780 9.717 11.140 104 HA CYS 15 HA CYS 15 11.574 11.988 12.198 105 1HB CYS 15 HB2 CYS 15 9.706 10.468 12.770 106 2HB CYS 15 HB3 CYS 15 10.241 10.358 11.105 107 H VAL 16 HN VAL 16 10.945 12.482 14.402 108 HA VAL 16 HA VAL 16 12.785 11.292 16.332 109 HB VAL 16 HB VAL 16 11.126 13.818 16.451 110 1HG1 VAL 16 HG11 VAL 16 13.249 12.684 18.294 111 2HG1 VAL 16 HG12 VAL 16 12.718 14.383 18.332 112 3HG1 VAL 16 HG13 VAL 16 11.558 13.079 18.681 113 1HG2 VAL 16 HG21 VAL 16 12.788 14.020 14.706 114 2HG2 VAL 16 HG22 VAL 16 13.310 14.975 16.115 115 3HG2 VAL 16 HG23 VAL 16 14.057 13.393 15.785 116 H ALA 17 HN ALA 17 9.525 11.104 15.255 117 HA ALA 17 HA ALA 17 8.574 9.729 17.525 118 1HB ALA 17 HB1 ALA 17 7.757 12.649 17.239 119 2HB ALA 17 HB2 ALA 17 6.995 11.471 18.334 120 3HB ALA 17 HB3 ALA 17 8.695 11.941 18.577 121 H ASN 18 HN ASN 18 6.136 9.344 17.294 122 HA ASN 18 HA ASN 18 5.764 8.448 14.711 123 1HB ASN 18 HB2 ASN 18 3.828 8.850 17.043 124 2HB ASN 18 HB3 ASN 18 3.329 8.089 15.545 125 1HD2 ASN 18 HD21 ASN 18 4.540 5.644 18.217 126 2HD2 ASN 18 HD22 ASN 18 3.479 7.013 18.243 127 H ASN 19 HN ASN 19 4.516 11.300 16.550 128 HA ASN 19 HA ASN 19 2.670 12.109 14.649 129 1HB ASN 19 HB2 ASN 19 2.906 14.376 15.831 130 2HB ASN 19 HB3 ASN 19 2.541 13.027 16.889 131 1HD2 ASN 19 HD21 ASN 19 5.429 13.206 18.799 132 2HD2 ASN 19 HD22 ASN 19 3.916 12.438 18.451 133 H TYR 20 HN TYR 20 6.188 12.541 15.052 134 HA TYR 20 HA TYR 20 6.424 14.778 13.314 135 1HB TYR 20 HB2 TYR 20 7.952 13.802 15.241 136 2HB TYR 20 HB3 TYR 20 8.481 12.619 14.062 137 HD1 TYR 20 HD1 TYR 20 8.865 16.000 15.279 138 HD2 TYR 20 HD2 TYR 20 9.671 13.416 11.965 139 HE1 TYR 20 HE1 TYR 20 10.630 17.623 14.433 140 HE2 TYR 20 HE2 TYR 20 11.433 15.048 11.130 141 HH TYR 20 HH TYR 20 12.100 18.050 12.918 142 H CYS 21 HN CYS 21 6.607 11.211 12.946 143 HA CYS 21 HA CYS 21 7.422 11.304 10.249 144 1HB CYS 21 HB2 CYS 21 7.772 9.276 11.358 145 2HB CYS 21 HB3 CYS 21 6.140 9.222 11.996 146 H ASP 22 HN ASP 22 4.215 11.188 11.978 147 HA ASP 22 HA ASP 22 2.918 10.125 9.803 148 1HB ASP 22 HB2 ASP 22 2.111 10.114 12.188 149 2HB ASP 22 HB3 ASP 22 1.758 11.826 12.062 150 HD2 ASP 22 HD2 ASP 22 0.127 12.428 10.862 151 H ASN 23 HN ASN 23 3.232 13.520 11.035 152 HA ASN 23 HA ASN 23 1.374 14.645 9.339 153 1HB ASN 23 HB2 ASN 23 2.257 16.754 10.069 154 2HB ASN 23 HB3 ASN 23 2.567 15.668 11.409 155 1HD2 ASN 23 HD21 ASN 23 6.074 15.494 11.029 156 2HD2 ASN 23 HD22 ASN 23 4.647 14.939 11.839 157 H GLN 24 HN GLN 24 4.783 13.690 8.949 158 HA GLN 24 HA GLN 24 5.147 15.258 6.598 159 1HB GLN 24 HB2 GLN 24 6.968 14.626 8.279 160 2HB GLN 24 HB3 GLN 24 6.902 12.996 7.640 161 1HG GLN 24 HG2 GLN 24 7.483 13.821 5.377 162 2HG GLN 24 HG3 GLN 24 7.449 15.479 5.945 163 1HE2 GLN 24 HE21 GLN 24 10.973 14.286 5.822 164 2HE2 GLN 24 HE22 GLN 24 9.652 14.437 4.712 165 H CYS 25 HN CYS 25 4.153 11.959 7.454 166 HA CYS 25 HA CYS 25 4.594 10.845 4.903 167 1HB CYS 25 HB2 CYS 25 2.816 9.994 7.195 168 2HB CYS 25 HB3 CYS 25 3.036 9.056 5.731 169 H LYS 26 HN LYS 26 1.765 12.327 6.624 170 HA LYS 26 HA LYS 26 -0.019 11.588 4.524 171 1HB LYS 26 HB2 LYS 26 -1.711 12.665 5.887 172 2HB LYS 26 HB3 LYS 26 -0.706 11.630 6.880 173 1HG LYS 26 HG2 LYS 26 -0.013 13.379 8.157 174 2HG LYS 26 HG3 LYS 26 0.442 14.316 6.748 175 1HD LYS 26 HD2 LYS 26 -2.465 14.022 7.611 176 2HD LYS 26 HD3 LYS 26 -1.433 15.283 8.255 177 1HE LYS 26 HE2 LYS 26 -0.940 15.995 5.847 178 2HE LYS 26 HE3 LYS 26 -2.156 14.848 5.320 179 1HZ LYS 26 HZ1 LYS 26 -3.788 16.048 6.698 180 2HZ LYS 26 HZ2 LYS 26 -2.656 17.120 7.169 181 H MET 27 HN MET 27 2.296 14.066 4.940 182 HA MET 27 HA MET 27 1.108 16.293 3.980 183 1HB MET 27 HB2 MET 27 3.560 15.863 4.709 184 2HB MET 27 HB3 MET 27 3.854 15.261 3.090 185 1HG MET 27 HG2 MET 27 2.747 17.595 2.368 186 2HG MET 27 HG3 MET 27 3.231 18.082 3.980 187 1HE MET 27 HE1 MET 27 5.596 17.643 4.942 188 2HE MET 27 HE2 MET 27 5.914 16.040 4.237 189 3HE MET 27 HE3 MET 27 7.063 17.373 3.972 190 H LYS 28 HN LYS 28 2.214 13.400 2.150 191 HA LYS 28 HA LYS 28 0.638 14.022 -0.093 192 1HB LYS 28 HB2 LYS 28 2.433 14.531 -1.708 193 2HB LYS 28 HB3 LYS 28 2.220 15.794 -0.513 194 1HG LYS 28 HG2 LYS 28 4.110 14.630 0.833 195 2HG LYS 28 HG3 LYS 28 4.417 13.685 -0.610 196 1HD LYS 28 HD2 LYS 28 4.752 15.798 -1.917 197 2HD LYS 28 HD3 LYS 28 4.458 16.737 -0.467 198 1HE LYS 28 HE2 LYS 28 6.869 16.541 -0.758 199 2HE LYS 28 HE3 LYS 28 6.415 15.584 0.638 200 1HZ LYS 28 HZ1 LYS 28 6.921 14.517 -2.088 201 2HZ LYS 28 HZ2 LYS 28 7.875 14.304 -0.786 202 H LYS 29 HN LYS 29 3.601 12.412 1.203 203 HA LYS 29 HA LYS 29 3.863 10.578 -0.843 204 1HB LYS 29 HB2 LYS 29 4.781 10.698 2.016 205 2HB LYS 29 HB3 LYS 29 5.050 9.239 1.084 206 1HG LYS 29 HG2 LYS 29 5.812 11.960 -0.038 207 2HG LYS 29 HG3 LYS 29 6.890 11.108 1.049 208 1HD LYS 29 HD2 LYS 29 6.956 9.161 -0.471 209 2HD LYS 29 HD3 LYS 29 5.767 9.901 -1.523 210 1HE LYS 29 HE2 LYS 29 7.872 10.350 -2.567 211 2HE LYS 29 HE3 LYS 29 7.415 11.864 -1.812 212 1HZ LYS 29 HZ1 LYS 29 9.330 9.882 -0.706 213 2HZ LYS 29 HZ2 LYS 29 9.693 11.371 -1.256 214 H ALA 30 HN ALA 30 1.846 10.469 2.149 215 HA ALA 30 HA ALA 30 0.818 7.880 1.293 216 1HB ALA 30 HB1 ALA 30 1.839 8.134 4.108 217 2HB ALA 30 HB2 ALA 30 1.656 6.685 3.090 218 3HB ALA 30 HB3 ALA 30 3.006 7.810 2.805 219 H SER 31 HN SER 31 -0.676 7.183 3.466 220 HA SER 31 HA SER 31 -2.475 9.410 3.699 221 1HB SER 31 HB2 SER 31 -3.368 7.154 3.219 222 2HB SER 31 HB3 SER 31 -2.662 6.533 4.698 223 HG SER 31 HG SER 31 -4.935 7.045 4.944 224 H GLY 32 HN GLY 32 -0.107 7.557 5.604 225 1HA GLY 32 HA1 GLY 32 0.189 9.553 7.548 226 2HA GLY 32 HA2 GLY 32 -0.899 8.335 8.185 227 H GLY 33 HN GLY 33 0.856 7.884 9.801 228 1HA GLY 33 HA1 GLY 33 1.532 5.367 9.649 229 2HA GLY 33 HA2 GLY 33 2.858 6.035 8.717 230 H HIS 34 HN HIS 34 4.411 5.338 10.365 231 HA HIS 34 HA HIS 34 4.195 6.771 12.885 232 1HB HIS 34 HB2 HIS 34 4.569 3.780 12.889 233 2HB HIS 34 HB3 HIS 34 4.187 4.839 14.232 234 HD1 HIS 34 HD1 HIS 34 1.696 6.212 13.691 235 HD2 HIS 34 HD2 HIS 34 2.370 2.385 12.113 236 HE1 HIS 34 HE1 HIS 34 -0.604 5.247 13.150 237 H CYS 35 HN CYS 35 6.244 6.148 14.299 238 HA CYS 35 HA CYS 35 8.439 6.474 12.398 239 1HB CYS 35 HB2 CYS 35 7.982 8.400 13.836 240 2HB CYS 35 HB3 CYS 35 8.185 7.406 15.265 241 H TYR 36 HN TYR 36 9.308 4.417 12.091 242 HA TYR 36 HA TYR 36 9.660 2.775 14.507 243 1HB TYR 36 HB2 TYR 36 8.121 2.086 12.504 244 2HB TYR 36 HB3 TYR 36 9.571 2.020 11.523 245 HD1 TYR 36 HD1 TYR 36 7.533 0.294 13.975 246 HD2 TYR 36 HD2 TYR 36 11.358 0.324 12.060 247 HE1 TYR 36 HE1 TYR 36 7.923 -2.112 14.700 248 HE2 TYR 36 HE2 TYR 36 11.735 -2.082 12.791 249 HH TYR 36 HH TYR 36 10.938 -3.788 13.836 250 H ALA 37 HN ALA 37 11.693 2.058 15.051 251 HA ALA 37 HA ALA 37 13.911 2.282 15.162 252 1HB ALA 37 HB1 ALA 37 13.589 0.296 13.723 253 2HB ALA 37 HB2 ALA 37 13.636 1.338 12.280 254 3HB ALA 37 HB3 ALA 37 15.083 1.168 13.302 255 H MET 38 HN MET 38 13.274 4.759 15.210 256 HA MET 38 HA MET 38 13.215 6.777 14.244 257 1HB MET 38 HB2 MET 38 15.661 7.534 13.896 258 2HB MET 38 HB3 MET 38 15.333 6.758 15.433 259 1HG MET 38 HG2 MET 38 16.224 4.612 14.594 260 2HG MET 38 HG3 MET 38 16.431 5.285 12.989 261 1HE MET 38 HE1 MET 38 18.751 3.859 14.582 262 2HE MET 38 HE2 MET 38 18.946 4.565 12.959 263 3HE MET 38 HE3 MET 38 20.111 4.958 14.247 264 H SER 39 HN SER 39 12.166 5.264 12.235 265 HA SER 39 HA SER 39 13.040 6.981 10.123 266 1HB SER 39 HB2 SER 39 13.172 3.963 9.921 267 2HB SER 39 HB3 SER 39 12.817 4.912 8.491 268 HG SER 39 HG SER 39 15.113 5.394 10.188 269 H CYS 40 HN CYS 40 11.288 7.477 8.659 270 HA CYS 40 HA CYS 40 8.838 7.231 10.075 271 1HB CYS 40 HB2 CYS 40 9.445 9.339 9.086 272 2HB CYS 40 HB3 CYS 40 9.572 8.620 7.493 273 H TYR 41 HN TYR 41 8.095 5.061 9.956 274 HA TYR 41 HA TYR 41 7.836 3.749 7.427 275 1HB TYR 41 HB2 TYR 41 8.085 2.655 9.712 276 2HB TYR 41 HB3 TYR 41 6.577 3.389 10.218 277 HD1 TYR 41 HD1 TYR 41 7.983 1.024 7.684 278 HD2 TYR 41 HD2 TYR 41 4.549 2.244 9.925 279 HE1 TYR 41 HE1 TYR 41 6.705 -1.008 6.846 280 HE2 TYR 41 HE2 TYR 41 3.282 0.208 9.079 281 HH TYR 41 HH TYR 41 4.853 -2.106 6.881 282 H CYS 42 HN CYS 42 6.560 4.869 5.950 283 HA CYS 42 HA CYS 42 4.180 6.158 6.961 284 1HB CYS 42 HB2 CYS 42 5.479 6.186 4.229 285 2HB CYS 42 HB3 CYS 42 4.024 7.070 4.647 286 H GLU 43 HN GLU 43 2.074 5.829 5.682 287 HA GLU 43 HA GLU 43 1.891 3.049 4.865 288 1HB GLU 43 HB2 GLU 43 0.355 4.367 7.136 289 2HB GLU 43 HB3 GLU 43 -0.203 2.897 6.363 290 1HG GLU 43 HG2 GLU 43 2.024 1.820 6.899 291 2HG GLU 43 HG3 GLU 43 2.488 3.274 7.758 292 HE2 GLU 43 HE2 GLU 43 0.150 2.647 10.367 293 H GLY 44 HN GLY 44 0.452 2.718 3.179 294 1HA GLY 44 HA1 GLY 44 -1.402 3.060 1.895 295 2HA GLY 44 HA2 GLY 44 -1.797 4.497 2.818 296 H LEU 45 HN LEU 45 0.965 3.375 0.720 297 HA LEU 45 HA LEU 45 1.032 6.053 -0.436 298 1HB LEU 45 HB2 LEU 45 2.962 3.734 -0.493 299 2HB LEU 45 HB3 LEU 45 3.170 5.185 -1.453 300 HG LEU 45 HG LEU 45 2.838 6.276 1.023 301 1HD1 LEU 45 HD11 LEU 45 4.261 3.633 1.441 302 2HD1 LEU 45 HD12 LEU 45 4.227 4.981 2.602 303 3HD1 LEU 45 HD13 LEU 45 2.718 4.145 2.166 304 1HD2 LEU 45 HD21 LEU 45 5.310 6.522 1.048 305 2HD2 LEU 45 HD22 LEU 45 5.407 5.355 -0.293 306 3HD2 LEU 45 HD23 LEU 45 4.571 6.909 -0.525 307 HA PRO 46 HA PRO 46 -0.203 4.353 -4.376 308 1HB PRO 46 HB2 PRO 46 0.953 6.178 -6.050 309 2HB PRO 46 HB3 PRO 46 -0.641 6.391 -5.354 310 1HG PRO 46 HG2 PRO 46 1.896 7.716 -4.616 311 2HG PRO 46 HG3 PRO 46 0.254 8.204 -4.244 312 1HD PRO 46 HD2 PRO 46 2.118 6.951 -2.460 313 2HD PRO 46 HD3 PRO 46 0.441 7.333 -2.125 314 H GLU 47 HN GLU 47 0.770 3.401 -6.389 315 HA GLU 47 HA GLU 47 2.782 1.828 -5.127 316 1HB GLU 47 HB2 GLU 47 1.257 1.554 -7.749 317 2HB GLU 47 HB3 GLU 47 2.470 0.397 -7.238 318 1HG GLU 47 HG2 GLU 47 1.192 -0.013 -5.126 319 2HG GLU 47 HG3 GLU 47 -0.020 1.147 -5.632 320 HE2 GLU 47 HE2 GLU 47 -1.537 -1.085 -7.819 321 H ASN 48 HN ASN 48 2.838 4.618 -7.013 322 HA ASN 48 HA ASN 48 5.010 3.888 -8.692 323 1HB ASN 48 HB2 ASN 48 4.992 6.291 -9.331 324 2HB ASN 48 HB3 ASN 48 3.362 5.649 -9.347 325 1HD2 ASN 48 HD21 ASN 48 3.740 8.990 -7.518 326 2HD2 ASN 48 HD22 ASN 48 4.358 8.383 -9.018 327 H ALA 49 HN ALA 49 4.554 4.817 -5.390 328 HA ALA 49 HA ALA 49 6.928 6.428 -5.165 329 1HB ALA 49 HB1 ALA 49 5.028 5.317 -3.059 330 2HB ALA 49 HB2 ALA 49 6.251 6.587 -2.810 331 3HB ALA 49 HB3 ALA 49 4.857 6.890 -3.875 332 H LYS 50 HN LYS 50 8.954 5.700 -4.722 333 HA LYS 50 HA LYS 50 9.333 2.882 -4.342 334 1HB LYS 50 HB2 LYS 50 10.851 4.026 -5.795 335 2HB LYS 50 HB3 LYS 50 11.213 5.241 -4.586 336 1HG LYS 50 HG2 LYS 50 13.054 3.665 -4.595 337 2HG LYS 50 HG3 LYS 50 12.165 3.418 -3.105 338 1HD LYS 50 HD2 LYS 50 11.005 1.466 -4.051 339 2HD LYS 50 HD3 LYS 50 11.706 1.763 -5.630 340 1HE LYS 50 HE2 LYS 50 13.031 0.017 -4.631 341 2HE LYS 50 HE3 LYS 50 14.015 1.465 -4.568 342 1HZ LYS 50 HZ1 LYS 50 13.426 1.757 -2.259 343 2HZ LYS 50 HZ2 LYS 50 12.340 0.544 -2.294 344 H VAL 51 HN VAL 51 9.285 1.854 -2.422 345 HA VAL 51 HA VAL 51 10.152 3.408 -0.085 346 HB VAL 51 HB VAL 51 8.480 2.416 1.246 347 1HG1 VAL 51 HG11 VAL 51 7.746 4.308 -0.193 348 2HG1 VAL 51 HG12 VAL 51 7.137 3.132 -1.381 349 3HG1 VAL 51 HG13 VAL 51 6.418 3.207 0.245 350 1HG2 VAL 51 HG21 VAL 51 7.964 0.594 -1.116 351 2HG2 VAL 51 HG22 VAL 51 8.439 0.155 0.543 352 3HG2 VAL 51 HG23 VAL 51 6.805 0.784 0.222 353 H SER 52 HN SER 52 11.473 2.225 1.455 354 HA SER 52 HA SER 52 12.111 -0.478 0.703 355 1HB SER 52 HB2 SER 52 13.975 0.648 1.624 356 2HB SER 52 HB3 SER 52 13.021 1.419 2.876 357 HG SER 52 HG SER 52 13.944 -1.301 2.732 358 H ASP 53 HN ASP 53 11.500 -2.346 1.972 359 HA ASP 53 HA ASP 53 9.776 -1.814 4.225 360 1HB ASP 53 HB2 ASP 53 8.165 -3.586 3.427 361 2HB ASP 53 HB3 ASP 53 8.161 -2.136 2.444 362 HD2 ASP 53 HD2 ASP 53 7.127 -4.004 1.406 363 H SER 54 HN SER 54 12.513 -2.662 4.151 364 HA SER 54 HA SER 54 12.288 -5.359 5.108 365 1HB SER 54 HB2 SER 54 14.321 -6.002 3.622 366 2HB SER 54 HB3 SER 54 12.734 -5.981 2.878 367 HG SER 54 HG SER 54 14.583 -3.752 2.794 368 H ALA 55 HN ALA 55 12.741 -3.201 6.724 369 HA ALA 55 HA ALA 55 14.067 -2.754 8.439 370 1HB ALA 55 HB1 ALA 55 14.042 -5.234 8.581 371 2HB ALA 55 HB2 ALA 55 15.504 -5.294 7.566 372 3HB ALA 55 HB3 ALA 55 15.571 -4.547 9.180 373 H THR 56 HN THR 56 14.627 -1.196 6.232 374 HA THR 56 HA THR 56 16.163 0.288 5.613 375 HB THR 56 HB THR 56 17.661 -0.679 8.104 376 HG1 THR 56 HG1 THR 56 16.156 0.768 9.144 377 1HG2 THR 56 HG21 THR 56 17.374 2.108 6.867 378 2HG2 THR 56 HG22 THR 56 18.370 1.664 8.274 379 3HG2 THR 56 HG23 THR 56 18.810 1.078 6.652 380 H ASN 57 HN ASN 57 16.308 -1.731 3.941 381 HA ASN 57 HA ASN 57 19.039 -2.531 3.743 382 1HB ASN 57 HB2 ASN 57 18.340 -3.413 1.511 383 2HB ASN 57 HB3 ASN 57 17.232 -3.934 2.766 384 1HD2 ASN 57 HD21 ASN 57 15.962 -1.827 -0.422 385 2HD2 ASN 57 HD22 ASN 57 17.572 -2.430 -0.211 386 H ILE 58 HN ILE 58 17.120 0.292 3.101 387 HA ILE 58 HA ILE 58 19.435 1.383 1.657 388 HB ILE 58 HB ILE 58 16.521 2.141 1.526 389 1HG1 ILE 58 HG12 ILE 58 18.368 1.498 -0.770 390 2HG1 ILE 58 HG13 ILE 58 17.554 0.226 0.120 391 1HG2 ILE 58 HG21 ILE 58 18.933 3.658 0.500 392 2HG2 ILE 58 HG22 ILE 58 17.255 3.964 -0.009 393 3HG2 ILE 58 HG23 ILE 58 17.728 4.208 1.689 394 1HD1 ILE 58 HD11 ILE 58 16.241 2.545 -1.365 395 2HD1 ILE 58 HD12 ILE 58 16.157 0.815 -1.776 396 3HD1 ILE 58 HD13 ILE 58 15.352 1.421 -0.309 397 H CYS 59 HN CYS 59 19.541 4.351 3.356 398 HA CYS 59 HA CYS 59 20.960 2.880 1.682 399 1HB CYS 59 HB2 CYS 59 21.780 4.527 4.037 400 2HB CYS 59 HB3 CYS 59 23.008 3.601 3.197 401 H GLY 60 HN GLY 60 20.856 2.394 5.285 402 1HA GLY 60 HA1 GLY 60 21.191 0.545 6.532 403 2HA GLY 60 HA2 GLY 60 21.118 -0.431 5.079
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