NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12258 | 1spw | 6263 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HN MET 1 1.884 0.000 0.829 2 HA MET 1 HA MET 1 2.057 -1.032 -1.597 3 1HB MET 1 1HB MET 1 0.343 1.047 -1.997 4 2HB MET 1 2HB MET 1 1.845 1.933 -2.176 5 1HG MET 1 1HG MET 1 2.584 0.449 -3.984 6 2HG MET 1 2HG MET 1 1.231 -0.632 -3.718 7 1HE MET 1 1HE MET 1 -0.481 0.132 -6.534 8 2HE MET 1 2HE MET 1 1.087 0.810 -7.033 9 3HE MET 1 3HE MET 1 1.032 -0.619 -5.973 10 H ASP 2 HN ASP 2 2.884 2.228 -0.199 11 HA ASP 2 HA ASP 2 5.336 1.643 0.679 12 1HB ASP 2 1HB ASP 2 6.775 2.655 -1.241 13 2HB ASP 2 2HB ASP 2 6.259 0.988 -1.394 14 HD2 ASP 2 HD2 ASP 2 4.908 4.123 -3.203 15 H ILE 3 HN ILE 3 3.500 3.343 1.618 16 HA ILE 3 HA ILE 3 4.714 5.942 1.258 17 HB ILE 3 HB ILE 3 1.838 5.360 0.579 18 1HG1 ILE 3 2HG1 ILE 3 3.481 5.169 -1.245 19 2HG1 ILE 3 3HG1 ILE 3 2.347 6.480 -1.502 20 1HG2 ILE 3 1HG2 ILE 3 1.540 7.195 1.960 21 2HG2 ILE 3 2HG2 ILE 3 3.106 7.918 1.520 22 3HG2 ILE 3 3HG2 ILE 3 1.755 7.946 0.361 23 1HD1 ILE 3 1HD1 ILE 3 5.229 6.697 -0.538 24 2HD1 ILE 3 2HD1 ILE 3 4.532 7.343 -2.043 25 3HD1 ILE 3 3HD1 ILE 3 4.084 8.058 -0.476 26 H TYR 4 HN TYR 4 4.538 7.219 3.053 27 HA TYR 4 HA TYR 4 3.116 6.010 5.377 28 1HB TYR 4 1HB TYR 4 5.917 7.102 5.120 29 2HB TYR 4 2HB TYR 4 5.077 7.120 6.680 30 HD1 TYR 4 HD1 TYR 4 4.079 4.849 7.489 31 HD2 TYR 4 HD2 TYR 4 7.107 5.208 4.463 32 HE1 TYR 4 HE1 TYR 4 4.745 2.491 7.875 33 HE2 TYR 4 HE2 TYR 4 7.772 2.850 4.849 34 HH TYR 4 HH TYR 4 7.487 1.138 7.091 35 H VAL 5 HN VAL 5 1.318 7.530 4.717 36 HA VAL 5 HA VAL 5 1.990 10.336 5.047 37 HB VAL 5 HB VAL 5 -0.500 8.846 4.214 38 1HG1 VAL 5 1HG1 VAL 5 -0.410 11.375 5.448 39 2HG1 VAL 5 2HG1 VAL 5 -0.606 11.695 3.708 40 3HG1 VAL 5 3HG1 VAL 5 -1.770 10.649 4.557 41 1HG2 VAL 5 1HG2 VAL 5 1.104 10.827 2.591 42 2HG2 VAL 5 2HG2 VAL 5 1.527 9.099 2.649 43 3HG2 VAL 5 3HG2 VAL 5 -0.064 9.606 2.031 44 H CYS 6 HN CYS 6 1.935 11.284 7.012 45 HA CYS 6 HA CYS 6 1.269 10.000 9.315 46 1HB CYS 6 1HB CYS 6 2.527 12.185 8.983 47 2HB CYS 6 2HB CYS 6 0.965 12.977 8.922 48 H THR 7 HN THR 7 -0.633 10.000 10.682 49 HA THR 7 HA THR 7 -3.101 10.592 9.191 50 HB THR 7 HB THR 7 -4.081 8.813 10.625 51 HG1 THR 7 HG1 THR 7 -2.613 9.345 12.454 52 1HG2 THR 7 1HG2 THR 7 -2.818 6.878 9.856 53 2HG2 THR 7 2HG2 THR 7 -2.714 8.099 8.565 54 3HG2 THR 7 3HG2 THR 7 -1.339 7.851 9.668 55 H VAL 8 HN VAL 8 -1.297 12.453 10.844 56 HA VAL 8 HA VAL 8 -3.383 13.234 12.762 57 HB VAL 8 HB VAL 8 -0.382 13.386 12.845 58 1HG1 VAL 8 1HG1 VAL 8 -2.235 15.406 13.796 59 2HG1 VAL 8 2HG1 VAL 8 -1.340 14.672 15.149 60 3HG1 VAL 8 3HG1 VAL 8 -0.455 15.408 13.791 61 1HG2 VAL 8 1HG2 VAL 8 -0.750 12.426 15.115 62 2HG2 VAL 8 2HG2 VAL 8 -2.497 12.372 14.773 63 3HG2 VAL 8 3HG2 VAL 8 -1.369 11.393 13.804 64 H CYS 9 HN CYS 9 -0.780 14.458 10.548 65 HA CYS 9 HA CYS 9 -2.379 16.893 10.274 66 1HB CYS 9 1HB CYS 9 -0.117 17.675 9.180 67 2HB CYS 9 2HB CYS 9 -0.374 17.723 10.913 68 H GLY 10 HN GLY 10 -1.200 13.962 8.769 69 1HA GLY 10 HA1 GLY 10 -1.997 13.081 6.795 70 2HA GLY 10 HA2 GLY 10 -2.579 14.657 6.300 71 H TYR 11 HN TYR 11 0.631 14.386 7.628 72 HA TYR 11 HA TYR 11 1.937 15.610 5.476 73 1HB TYR 11 1HB TYR 11 2.722 15.199 7.880 74 2HB TYR 11 2HB TYR 11 3.203 13.584 7.335 75 HD1 TYR 11 HD1 TYR 11 5.535 13.567 7.339 76 HD2 TYR 11 HD2 TYR 11 3.455 16.898 5.598 77 HE1 TYR 11 HE1 TYR 11 7.689 14.484 6.521 78 HE2 TYR 11 HE2 TYR 11 5.609 17.815 4.780 79 HH TYR 11 HH TYR 11 7.959 16.924 4.211 80 H GLU 12 HN GLU 12 3.641 14.619 3.982 81 HA GLU 12 HA GLU 12 2.783 11.936 3.226 82 1HB GLU 12 1HB GLU 12 2.530 14.337 1.706 83 2HB GLU 12 2HB GLU 12 3.821 13.421 0.954 84 1HG GLU 12 1HG GLU 12 2.249 11.373 1.049 85 2HG GLU 12 2HG GLU 12 0.971 12.485 1.496 86 HE2 GLU 12 HE2 GLU 12 -0.104 12.403 -0.892 87 H TYR 13 HN TYR 13 4.368 10.482 3.088 88 HA TYR 13 HA TYR 13 7.150 11.394 2.644 89 1HB TYR 13 1HB TYR 13 6.841 11.300 5.074 90 2HB TYR 13 2HB TYR 13 6.213 9.648 4.945 91 HD1 TYR 13 HD1 TYR 13 7.734 7.796 4.201 92 HD2 TYR 13 HD2 TYR 13 9.181 11.739 5.103 93 HE1 TYR 13 HE1 TYR 13 10.038 6.903 4.409 94 HE2 TYR 13 HE2 TYR 13 11.485 10.845 5.311 95 HH TYR 13 HH TYR 13 12.850 8.953 4.714 96 H ASP 14 HN ASP 14 8.543 9.725 1.729 97 HA ASP 14 HA ASP 14 6.967 7.449 0.811 98 1HB ASP 14 1HB ASP 14 8.113 9.369 -0.768 99 2HB ASP 14 2HB ASP 14 9.460 8.254 -0.648 100 HD2 ASP 14 HD2 ASP 14 6.204 8.515 -1.581 101 HA PRO 15 HA PRO 15 10.117 5.068 2.887 102 1HB PRO 15 1HB PRO 15 9.407 2.591 1.990 103 2HB PRO 15 2HB PRO 15 8.349 3.546 3.079 104 1HG PRO 15 1HG PRO 15 8.210 3.195 0.204 105 2HG PRO 15 2HG PRO 15 6.827 3.186 1.347 106 1HD PRO 15 HD2 PRO 15 7.534 5.369 -0.234 107 2HD PRO 15 HD3 PRO 15 6.734 5.534 1.358 108 H ALA 16 HN ALA 16 11.682 6.345 1.283 109 HA ALA 16 HA ALA 16 12.959 4.280 -0.341 110 1HB ALA 16 1HB ALA 16 13.296 5.918 -2.165 111 2HB ALA 16 2HB ALA 16 11.566 5.614 -1.875 112 3HB ALA 16 3HB ALA 16 12.320 7.109 -1.272 113 H PHE 17 HN PHE 17 13.556 5.124 2.330 114 HA PHE 17 HA PHE 17 15.856 6.887 1.937 115 1HB PHE 17 1HB PHE 17 15.721 6.786 4.545 116 2HB PHE 17 2HB PHE 17 14.386 7.586 3.739 117 HD1 PHE 17 HD1 PHE 17 15.417 4.602 5.590 118 HD2 PHE 17 HD2 PHE 17 12.180 6.577 3.683 119 HE1 PHE 17 HE1 PHE 17 13.802 3.049 6.722 120 HE2 PHE 17 HE2 PHE 17 10.566 5.024 4.815 121 HZ PHE 17 HZ PHE 17 11.396 3.279 6.321 122 H GLU 18 HN GLU 18 17.489 6.154 4.040 123 HA GLU 18 HA GLU 18 17.968 3.320 3.623 124 1HB GLU 18 1HB GLU 18 19.410 4.838 2.100 125 2HB GLU 18 2HB GLU 18 20.227 5.355 3.562 126 1HG GLU 18 1HG GLU 18 20.192 2.558 3.806 127 2HG GLU 18 2HG GLU 18 20.456 2.805 2.092 128 HE2 GLU 18 HE2 GLU 18 22.083 4.495 1.675 129 H ASP 19 HN ASP 19 18.744 6.339 5.450 130 HA ASP 19 HA ASP 19 19.409 4.651 7.719 131 1HB ASP 19 1HB ASP 19 20.815 6.732 6.724 132 2HB ASP 19 2HB ASP 19 19.732 7.649 7.751 133 HD2 ASP 19 HD2 ASP 19 21.973 8.057 8.830 134 H LEU 20 HN LEU 20 17.325 4.194 8.609 135 HA LEU 20 HA LEU 20 15.717 6.559 9.285 136 1HB LEU 20 1HB LEU 20 14.968 4.517 7.662 137 2HB LEU 20 2HB LEU 20 14.420 3.908 9.212 138 HG LEU 20 HG LEU 20 12.745 5.213 7.814 139 1HD1 LEU 20 1HD1 LEU 20 11.711 5.135 9.777 140 2HD1 LEU 20 2HD1 LEU 20 13.253 5.248 10.661 141 3HD1 LEU 20 3HD1 LEU 20 12.411 6.730 10.148 142 1HD2 LEU 20 1HD2 LEU 20 12.955 7.413 7.367 143 2HD2 LEU 20 2HD2 LEU 20 13.785 7.762 8.902 144 3HD2 LEU 20 3HD2 LEU 20 14.692 7.066 7.538 145 HA PRO 21 HA PRO 21 17.649 5.247 13.208 146 1HB PRO 21 1HB PRO 21 16.192 7.823 13.866 147 2HB PRO 21 2HB PRO 21 17.844 7.272 14.297 148 1HG PRO 21 1HG PRO 21 17.526 9.084 12.260 149 2HG PRO 21 2HG PRO 21 18.709 7.744 12.407 150 1HD PRO 21 HD2 PRO 21 16.141 7.939 10.773 151 2HD PRO 21 HD3 PRO 21 17.713 7.211 10.322 152 H ASP 22 HN ASP 22 16.482 5.178 15.517 153 HA ASP 22 HA ASP 22 13.827 4.149 14.945 154 1HB ASP 22 1HB ASP 22 14.225 3.227 17.409 155 2HB ASP 22 2HB ASP 22 14.946 2.421 16.030 156 HD2 ASP 22 HD2 ASP 22 15.911 4.963 18.351 157 H ASP 23 HN ASP 23 13.598 6.801 14.962 158 HA ASP 23 HA ASP 23 11.990 7.413 17.069 159 1HB ASP 23 1HB ASP 23 13.829 7.536 18.595 160 2HB ASP 23 2HB ASP 23 14.867 8.316 17.419 161 HD2 ASP 23 HD2 ASP 23 14.897 9.842 19.611 162 H TRP 24 HN TRP 24 11.177 7.967 14.764 163 HA TRP 24 HA TRP 24 12.231 10.557 13.866 164 1HB TRP 24 1HB TRP 24 12.174 8.441 12.356 165 2HB TRP 24 2HB TRP 24 10.456 8.768 12.234 166 HD1 TRP 24 HD1 TRP 24 13.642 11.027 11.837 167 HE1 TRP 24 HE1 TRP 24 13.410 12.567 9.706 168 HE3 TRP 24 HE3 TRP 24 9.047 9.335 10.466 169 HZ2 TRP 24 HZ2 TRP 24 11.377 12.896 7.731 170 HZ3 TRP 24 HZ3 TRP 24 8.009 10.318 8.424 171 HH2 TRP 24 HH2 TRP 24 9.098 12.039 7.073 172 H ALA 25 HN ALA 25 10.903 12.341 14.034 173 HA ALA 25 HA ALA 25 8.105 11.803 14.764 174 1HB ALA 25 1HB ALA 25 9.529 14.282 15.685 175 2HB ALA 25 2HB ALA 25 8.214 13.368 16.462 176 3HB ALA 25 3HB ALA 25 9.881 12.748 16.516 177 H CYS 26 HN CYS 26 6.530 13.026 13.710 178 HA CYS 26 HA CYS 26 7.037 13.908 11.193 179 1HB CYS 26 1HB CYS 26 4.813 13.479 12.526 180 2HB CYS 26 2HB CYS 26 4.866 15.209 12.797 181 HA PRO 27 HA PRO 27 9.040 17.806 11.927 182 1HB PRO 27 1HB PRO 27 9.352 18.556 9.333 183 2HB PRO 27 2HB PRO 27 10.208 17.131 10.007 184 1HG PRO 27 1HG PRO 27 7.641 17.243 8.391 185 2HG PRO 27 2HG PRO 27 9.043 16.144 8.177 186 1HD PRO 27 HD2 PRO 27 6.690 15.485 9.551 187 2HD PRO 27 HD3 PRO 27 8.280 14.736 9.887 188 H VAL 28 HN VAL 28 5.876 17.432 11.738 189 HA VAL 28 HA VAL 28 5.430 20.277 11.205 190 HB VAL 28 HB VAL 28 3.399 18.214 10.424 191 1HG1 VAL 28 1HG1 VAL 28 2.767 20.015 8.801 192 2HG1 VAL 28 2HG1 VAL 28 2.620 20.491 10.510 193 3HG1 VAL 28 3HG1 VAL 28 4.005 21.055 9.545 194 1HG2 VAL 28 1HG2 VAL 28 5.088 17.372 9.088 195 2HG2 VAL 28 2HG2 VAL 28 4.399 18.624 8.026 196 3HG2 VAL 28 3HG2 VAL 28 5.899 18.948 8.928 197 H CYS 29 HN CYS 29 3.428 17.413 12.194 198 HA CYS 29 HA CYS 29 2.188 18.916 14.232 199 1HB CYS 29 1HB CYS 29 1.141 16.787 14.864 200 2HB CYS 29 2HB CYS 29 0.982 17.152 13.157 201 H GLY 30 HN GLY 30 5.004 16.742 13.963 202 1HA GLY 30 HA1 GLY 30 6.797 16.725 15.414 203 2HA GLY 30 HA2 GLY 30 5.832 17.508 16.650 204 H ALA 31 HN ALA 31 3.639 15.332 15.724 205 HA ALA 31 HA ALA 31 3.943 13.675 17.918 206 1HB ALA 31 1HB ALA 31 2.444 13.333 15.292 207 2HB ALA 31 2HB ALA 31 2.244 12.256 16.695 208 3HB ALA 31 3HB ALA 31 1.811 13.978 16.826 209 H SER 32 HN SER 32 4.330 11.276 17.925 210 HA SER 32 HA SER 32 6.826 10.773 16.771 211 1HB SER 32 1HB SER 32 6.358 8.393 17.654 212 2HB SER 32 2HB SER 32 6.387 9.689 18.833 213 HG SER 32 HG SER 32 4.506 8.035 18.793 214 H LYS 33 HN LYS 33 7.254 8.683 15.427 215 HA LYS 33 HA LYS 33 5.471 8.788 13.151 216 1HB LYS 33 1HB LYS 33 7.227 7.564 11.999 217 2HB LYS 33 2HB LYS 33 7.889 8.969 12.811 218 1HG LYS 33 1HG LYS 33 9.383 7.581 13.807 219 2HG LYS 33 2HG LYS 33 8.056 6.946 14.760 220 1HD LYS 33 HD2 LYS 33 7.828 5.652 12.244 221 2HD LYS 33 HD3 LYS 33 9.546 5.667 12.587 222 1HE LYS 33 2HE LYS 33 9.315 4.381 14.547 223 2HE LYS 33 3HE LYS 33 7.655 4.878 14.807 224 1HZ LYS 33 HZ1 LYS 33 7.355 2.773 13.952 225 2HZ LYS 33 HZ2 LYS 33 7.310 3.595 12.548 226 H ASP 34 HN ASP 34 4.084 7.782 15.307 227 HA ASP 34 HA ASP 34 4.192 4.906 14.885 228 1HB ASP 34 1HB ASP 34 2.772 4.814 16.974 229 2HB ASP 34 2HB ASP 34 4.365 5.499 17.228 230 HD2 ASP 34 HD2 ASP 34 2.699 6.934 19.266 231 H ALA 35 HN ALA 35 2.241 7.891 14.700 232 HA ALA 35 HA ALA 35 -0.219 6.518 14.164 233 1HB ALA 35 1HB ALA 35 0.753 9.288 14.555 234 2HB ALA 35 2HB ALA 35 -0.584 9.129 13.390 235 3HB ALA 35 3HB ALA 35 -0.779 8.530 15.055 236 H PHE 36 HN PHE 36 2.622 6.858 12.440 237 HA PHE 36 HA PHE 36 1.486 7.541 9.903 238 1HB PHE 36 1HB PHE 36 4.135 6.516 11.036 239 2HB PHE 36 2HB PHE 36 3.909 6.562 9.299 240 HD1 PHE 36 HD1 PHE 36 3.128 8.907 12.110 241 HD2 PHE 36 HD2 PHE 36 4.973 8.349 8.329 242 HE1 PHE 36 HE1 PHE 36 3.809 11.323 12.085 243 HE2 PHE 36 HE2 PHE 36 5.654 10.765 8.304 244 HZ PHE 36 HZ PHE 36 5.064 12.223 10.183 245 H GLU 37 HN GLU 37 0.801 6.180 8.269 246 HA GLU 37 HA GLU 37 1.534 3.464 8.243 247 1HB GLU 37 1HB GLU 37 -0.447 3.836 10.038 248 2HB GLU 37 2HB GLU 37 -1.438 3.745 8.596 249 1HG GLU 37 1HG GLU 37 -0.907 1.516 8.188 250 2HG GLU 37 2HG GLU 37 0.700 1.656 8.873 251 HE2 GLU 37 HE2 GLU 37 -1.461 -0.407 10.026 252 H LYS 38 HN LYS 38 0.795 2.389 6.263 253 HA LYS 38 HA LYS 38 0.835 3.868 4.033 254 1HB LYS 38 1HB LYS 38 0.971 1.396 4.167 255 2HB LYS 38 2HB LYS 38 -0.762 1.318 4.417 256 1HG LYS 38 1HG LYS 38 -0.657 2.902 2.166 257 2HG LYS 38 2HG LYS 38 0.770 1.914 1.924 258 1HD LYS 38 HD2 LYS 38 -0.696 0.401 1.028 259 2HD LYS 38 HD3 LYS 38 -1.024 -0.018 2.698 260 1HE LYS 38 2HE LYS 38 -2.863 1.756 2.701 261 2HE LYS 38 3HE LYS 38 -2.595 1.961 0.981 262 1HZ LYS 38 HZ1 LYS 38 -3.776 -0.319 2.376 263 2HZ LYS 38 HZ2 LYS 38 -4.190 0.331 0.941 264 H GLN 39 HN GLN 39 -0.564 5.032 2.712 265 HA GLN 39 HA GLN 39 -3.348 5.016 3.295 266 1HB GLN 39 1HB GLN 39 -1.749 6.886 4.700 267 2HB GLN 39 2HB GLN 39 -2.499 7.810 3.414 268 1HG GLN 39 1HG GLN 39 -4.130 5.908 5.142 269 2HG GLN 39 2HG GLN 39 -3.804 7.550 5.661 270 1HE2 GLN 39 1HE2 GLN 39 -5.657 5.498 3.676 271 2HE2 GLN 39 2HE2 GLN 39 -6.623 6.682 2.861 Start of MODEL 2 1 1H MET 1 HN MET 1 1.759 2.799 -4.577 2 HA MET 1 HA MET 1 2.784 0.935 -3.447 3 1HB MET 1 1HB MET 1 4.183 2.874 -5.213 4 2HB MET 1 2HB MET 1 5.302 1.873 -4.308 5 1HG MET 1 1HG MET 1 3.593 -0.078 -5.104 6 2HG MET 1 2HG MET 1 3.290 1.064 -6.398 7 1HE MET 1 1HE MET 1 4.476 -1.851 -6.366 8 2HE MET 1 2HE MET 1 6.192 -1.982 -6.822 9 3HE MET 1 3HE MET 1 5.742 -1.701 -5.123 10 H ASP 2 HN ASP 2 2.825 0.867 -1.175 11 HA ASP 2 HA ASP 2 3.577 1.113 0.847 12 1HB ASP 2 1HB ASP 2 6.261 1.644 -0.514 13 2HB ASP 2 2HB ASP 2 6.057 1.183 1.164 14 HD2 ASP 2 HD2 ASP 2 5.071 -2.012 0.518 15 H ILE 3 HN ILE 3 2.635 3.045 1.657 16 HA ILE 3 HA ILE 3 4.372 5.379 1.618 17 HB ILE 3 HB ILE 3 1.512 5.349 0.663 18 1HG1 ILE 3 2HG1 ILE 3 3.385 4.806 -0.952 19 2HG1 ILE 3 3HG1 ILE 3 2.338 6.140 -1.398 20 1HG2 ILE 3 1HG2 ILE 3 3.162 7.840 1.061 21 2HG2 ILE 3 2HG2 ILE 3 1.414 7.685 0.763 22 3HG2 ILE 3 3HG2 ILE 3 2.096 7.201 2.335 23 1HD1 ILE 3 1HD1 ILE 3 4.898 6.495 -1.636 24 2HD1 ILE 3 2HD1 ILE 3 3.969 7.781 -0.830 25 3HD1 ILE 3 3HD1 ILE 3 4.915 6.625 0.139 26 H TYR 4 HN TYR 4 4.267 6.578 3.453 27 HA TYR 4 HA TYR 4 2.439 5.552 5.574 28 1HB TYR 4 1HB TYR 4 5.322 6.479 5.713 29 2HB TYR 4 2HB TYR 4 4.296 6.260 7.141 30 HD1 TYR 4 HD1 TYR 4 3.498 4.001 7.779 31 HD2 TYR 4 HD2 TYR 4 6.253 4.602 4.538 32 HE1 TYR 4 HE1 TYR 4 4.088 1.593 7.834 33 HE2 TYR 4 HE2 TYR 4 6.842 2.193 4.593 34 HH TYR 4 HH TYR 4 5.586 -0.051 5.442 35 H VAL 5 HN VAL 5 0.844 7.233 4.955 36 HA VAL 5 HA VAL 5 1.771 9.965 5.238 37 HB VAL 5 HB VAL 5 -0.953 8.807 4.614 38 1HG1 VAL 5 1HG1 VAL 5 -1.773 10.918 4.322 39 2HG1 VAL 5 2HG1 VAL 5 -0.562 11.274 5.577 40 3HG1 VAL 5 3HG1 VAL 5 -0.191 11.594 3.866 41 1HG2 VAL 5 1HG2 VAL 5 -0.076 8.330 2.612 42 2HG2 VAL 5 2HG2 VAL 5 0.046 10.085 2.346 43 3HG2 VAL 5 3HG2 VAL 5 1.439 9.184 2.989 44 H CYS 6 HN CYS 6 1.831 10.970 7.175 45 HA CYS 6 HA CYS 6 1.142 9.825 9.529 46 1HB CYS 6 1HB CYS 6 2.526 11.870 9.194 47 2HB CYS 6 2HB CYS 6 1.056 12.790 8.937 48 H THR 7 HN THR 7 -0.713 10.044 10.974 49 HA THR 7 HA THR 7 -3.193 10.652 9.509 50 HB THR 7 HB THR 7 -4.172 9.076 11.281 51 HG1 THR 7 HG1 THR 7 -2.325 9.395 12.756 52 1HG2 THR 7 1HG2 THR 7 -2.894 6.983 10.422 53 2HG2 THR 7 2HG2 THR 7 -3.703 7.973 9.184 54 3HG2 THR 7 3HG2 THR 7 -1.945 8.114 9.426 55 H VAL 8 HN VAL 8 -1.203 12.456 11.086 56 HA VAL 8 HA VAL 8 -3.213 13.480 12.970 57 HB VAL 8 HB VAL 8 -0.203 13.514 12.965 58 1HG1 VAL 8 1HG1 VAL 8 -1.972 15.147 14.814 59 2HG1 VAL 8 2HG1 VAL 8 -0.192 15.089 14.787 60 3HG1 VAL 8 3HG1 VAL 8 -1.080 15.816 13.426 61 1HG2 VAL 8 1HG2 VAL 8 -0.895 11.614 14.097 62 2HG2 VAL 8 2HG2 VAL 8 -0.776 12.797 15.422 63 3HG2 VAL 8 3HG2 VAL 8 -2.365 12.394 14.730 64 H CYS 9 HN CYS 9 -0.605 14.441 10.635 65 HA CYS 9 HA CYS 9 -2.077 16.941 10.264 66 1HB CYS 9 1HB CYS 9 0.104 17.677 9.159 67 2HB CYS 9 2HB CYS 9 0.062 17.541 10.905 68 H GLY 10 HN GLY 10 -0.996 13.898 8.857 69 1HA GLY 10 HA1 GLY 10 -1.974 12.958 6.970 70 2HA GLY 10 HA2 GLY 10 -2.432 14.546 6.390 71 H TYR 11 HN TYR 11 0.743 14.374 7.676 72 HA TYR 11 HA TYR 11 2.063 15.220 5.373 73 1HB TYR 11 1HB TYR 11 2.934 15.240 7.716 74 2HB TYR 11 2HB TYR 11 3.188 13.490 7.601 75 HD1 TYR 11 HD1 TYR 11 5.473 13.087 7.556 76 HD2 TYR 11 HD2 TYR 11 3.863 16.279 5.176 77 HE1 TYR 11 HE1 TYR 11 7.712 13.476 6.564 78 HE2 TYR 11 HE2 TYR 11 6.102 16.669 4.183 79 HH TYR 11 HH TYR 11 8.972 15.421 5.424 80 H GLU 12 HN GLU 12 3.821 13.942 4.112 81 HA GLU 12 HA GLU 12 2.866 11.220 3.706 82 1HB GLU 12 1HB GLU 12 2.949 13.452 1.788 83 2HB GLU 12 2HB GLU 12 3.822 12.049 1.202 84 1HG GLU 12 1HG GLU 12 1.836 10.611 1.626 85 2HG GLU 12 2HG GLU 12 0.961 11.983 2.276 86 HE2 GLU 12 HE2 GLU 12 -0.414 12.870 -0.145 87 H TYR 13 HN TYR 13 4.423 9.751 3.869 88 HA TYR 13 HA TYR 13 7.244 10.689 3.838 89 1HB TYR 13 1HB TYR 13 6.545 9.677 5.921 90 2HB TYR 13 2HB TYR 13 5.887 8.270 5.068 91 HD1 TYR 13 HD1 TYR 13 7.172 6.348 4.983 92 HD2 TYR 13 HD2 TYR 13 9.127 10.149 5.414 93 HE1 TYR 13 HE1 TYR 13 9.361 5.199 5.188 94 HE2 TYR 13 HE2 TYR 13 11.316 9.000 5.619 95 HH TYR 13 HH TYR 13 11.613 5.439 5.453 96 H ASP 14 HN ASP 14 8.882 9.032 2.941 97 HA ASP 14 HA ASP 14 7.626 7.492 0.819 98 1HB ASP 14 1HB ASP 14 8.746 9.798 0.155 99 2HB ASP 14 2HB ASP 14 10.258 8.943 0.395 100 HD2 ASP 14 HD2 ASP 14 10.425 7.481 -2.409 101 HA PRO 15 HA PRO 15 9.924 4.509 3.401 102 1HB PRO 15 1HB PRO 15 9.285 3.074 0.781 103 2HB PRO 15 2HB PRO 15 9.264 2.468 2.470 104 1HG PRO 15 1HG PRO 15 7.021 3.334 1.261 105 2HG PRO 15 2HG PRO 15 7.140 3.641 3.025 106 1HD PRO 15 HD2 PRO 15 7.299 5.535 0.726 107 2HD PRO 15 HD3 PRO 15 7.073 5.891 2.466 108 H ALA 16 HN ALA 16 12.165 4.228 3.473 109 HA ALA 16 HA ALA 16 14.241 3.900 2.697 110 1HB ALA 16 1HB ALA 16 12.954 2.914 0.617 111 2HB ALA 16 2HB ALA 16 13.436 4.442 -0.159 112 3HB ALA 16 3HB ALA 16 14.678 3.336 0.477 113 H PHE 17 HN PHE 17 14.266 5.991 3.958 114 HA PHE 17 HA PHE 17 14.432 8.351 2.273 115 1HB PHE 17 1HB PHE 17 13.212 8.189 4.542 116 2HB PHE 17 2HB PHE 17 14.766 7.907 5.301 117 HD1 PHE 17 HD1 PHE 17 16.598 9.764 4.689 118 HD2 PHE 17 HD2 PHE 17 12.396 10.342 4.562 119 HE1 PHE 17 HE1 PHE 17 16.932 12.240 4.928 120 HE2 PHE 17 HE2 PHE 17 12.730 12.819 4.801 121 HZ PHE 17 HZ PHE 17 14.993 13.738 4.981 122 H GLU 18 HN GLU 18 16.416 6.925 4.976 123 HA GLU 18 HA GLU 18 18.738 6.795 3.512 124 1HB GLU 18 1HB GLU 18 18.305 9.395 3.682 125 2HB GLU 18 2HB GLU 18 18.882 9.214 5.327 126 1HG GLU 18 1HG GLU 18 21.053 8.819 4.673 127 2HG GLU 18 2HG GLU 18 20.574 7.852 3.292 128 HE2 GLU 18 HE2 GLU 18 19.120 9.621 1.824 129 H ASP 19 HN ASP 19 18.048 8.202 6.799 130 HA ASP 19 HA ASP 19 19.633 6.056 7.900 131 1HB ASP 19 1HB ASP 19 18.419 8.567 9.147 132 2HB ASP 19 2HB ASP 19 19.375 7.403 10.042 133 HD2 ASP 19 HD2 ASP 19 21.061 9.115 6.947 134 H LEU 20 HN LEU 20 16.411 7.707 8.272 135 HA LEU 20 HA LEU 20 14.589 7.090 9.427 136 1HB LEU 20 1HB LEU 20 13.879 6.179 7.477 137 2HB LEU 20 2HB LEU 20 15.209 5.042 7.377 138 HG LEU 20 HG LEU 20 13.443 4.434 9.618 139 1HD1 LEU 20 1HD1 LEU 20 12.170 4.172 6.890 140 2HD1 LEU 20 2HD1 LEU 20 11.448 3.873 8.491 141 3HD1 LEU 20 3HD1 LEU 20 11.837 5.536 7.985 142 1HD2 LEU 20 1HD2 LEU 20 14.861 3.057 7.419 143 2HD2 LEU 20 2HD2 LEU 20 14.685 2.619 9.136 144 3HD2 LEU 20 3HD2 LEU 20 13.367 2.274 7.990 145 HA PRO 21 HA PRO 21 16.594 4.741 12.766 146 1HB PRO 21 1HB PRO 21 16.173 6.579 14.732 147 2HB PRO 21 2HB PRO 21 17.476 6.777 13.516 148 1HG PRO 21 1HG PRO 21 14.844 8.018 13.621 149 2HG PRO 21 2HG PRO 21 16.391 8.797 13.154 150 1HD PRO 21 HD2 PRO 21 14.449 7.877 11.350 151 2HD PRO 21 HD3 PRO 21 16.188 8.024 10.954 152 H ASP 22 HN ASP 22 15.498 4.307 15.118 153 HA ASP 22 HA ASP 22 12.789 3.601 14.440 154 1HB ASP 22 1HB ASP 22 13.793 2.888 17.135 155 2HB ASP 22 2HB ASP 22 13.053 1.866 15.919 156 HD2 ASP 22 HD2 ASP 22 16.247 2.792 17.111 157 H ASP 23 HN ASP 23 13.376 6.427 14.903 158 HA ASP 23 HA ASP 23 11.490 6.898 16.965 159 1HB ASP 23 1HB ASP 23 13.739 6.696 18.179 160 2HB ASP 23 2HB ASP 23 14.278 8.100 17.280 161 HD2 ASP 23 HD2 ASP 23 14.226 9.737 18.479 162 H TRP 24 HN TRP 24 11.463 7.353 14.171 163 HA TRP 24 HA TRP 24 12.379 10.015 13.609 164 1HB TRP 24 1HB TRP 24 12.256 8.036 11.997 165 2HB TRP 24 2HB TRP 24 10.530 8.331 11.929 166 HD1 TRP 24 HD1 TRP 24 13.609 10.745 11.603 167 HE1 TRP 24 HE1 TRP 24 13.313 12.326 9.513 168 HE3 TRP 24 HE3 TRP 24 9.136 8.828 10.128 169 HZ2 TRP 24 HZ2 TRP 24 11.286 12.593 7.520 170 HZ3 TRP 24 HZ3 TRP 24 8.066 9.806 8.100 171 HH2 TRP 24 HH2 TRP 24 9.068 11.625 6.810 172 H ALA 25 HN ALA 25 11.093 11.892 13.503 173 HA ALA 25 HA ALA 25 8.311 11.542 14.387 174 1HB ALA 25 1HB ALA 25 9.689 14.058 15.131 175 2HB ALA 25 2HB ALA 25 8.599 13.024 16.085 176 3HB ALA 25 3HB ALA 25 10.320 12.598 15.930 177 H CYS 26 HN CYS 26 6.768 12.799 13.318 178 HA CYS 26 HA CYS 26 7.108 13.439 10.748 179 1HB CYS 26 1HB CYS 26 5.061 13.638 12.522 180 2HB CYS 26 2HB CYS 26 5.367 15.333 12.203 181 HA PRO 27 HA PRO 27 9.700 17.045 10.797 182 1HB PRO 27 1HB PRO 27 9.738 17.539 8.132 183 2HB PRO 27 2HB PRO 27 10.442 16.035 8.808 184 1HG PRO 27 1HG PRO 27 7.603 16.237 7.382 185 2HG PRO 27 2HG PRO 27 9.079 15.218 7.412 186 1HD PRO 27 HD2 PRO 27 6.673 14.971 9.030 187 2HD PRO 27 HD3 PRO 27 8.176 14.009 9.163 188 H VAL 28 HN VAL 28 6.468 17.118 10.957 189 HA VAL 28 HA VAL 28 6.413 19.989 10.441 190 HB VAL 28 HB VAL 28 4.049 18.339 9.655 191 1HG1 VAL 28 1HG1 VAL 28 3.461 20.197 8.349 192 2HG1 VAL 28 2HG1 VAL 28 4.157 20.912 9.824 193 3HG1 VAL 28 3HG1 VAL 28 5.124 20.832 8.331 194 1HG2 VAL 28 1HG2 VAL 28 6.534 18.737 7.961 195 2HG2 VAL 28 2HG2 VAL 28 5.771 17.201 8.437 196 3HG2 VAL 28 3HG2 VAL 28 4.943 18.291 7.300 197 H CYS 29 HN CYS 29 4.007 17.432 11.365 198 HA CYS 29 HA CYS 29 2.949 18.995 13.419 199 1HB CYS 29 1HB CYS 29 1.651 17.094 14.006 200 2HB CYS 29 2HB CYS 29 1.764 17.159 12.259 201 H GLY 30 HN GLY 30 5.807 16.993 13.125 202 1HA GLY 30 HA1 GLY 30 7.482 16.551 14.559 203 2HA GLY 30 HA2 GLY 30 6.812 17.750 15.647 204 H ALA 31 HN ALA 31 5.066 14.846 14.441 205 HA ALA 31 HA ALA 31 4.888 13.954 17.227 206 1HB ALA 31 1HB ALA 31 3.185 12.897 14.978 207 2HB ALA 31 2HB ALA 31 2.790 13.096 16.703 208 3HB ALA 31 3HB ALA 31 2.857 14.519 15.635 209 H SER 32 HN SER 32 4.945 11.555 17.589 210 HA SER 32 HA SER 32 7.269 10.517 16.532 211 1HB SER 32 1HB SER 32 6.371 8.321 17.559 212 2HB SER 32 2HB SER 32 6.587 9.683 18.640 213 HG SER 32 HG SER 32 4.490 9.681 19.056 214 H LYS 33 HN LYS 33 7.574 8.571 15.148 215 HA LYS 33 HA LYS 33 5.710 8.630 12.941 216 1HB LYS 33 1HB LYS 33 7.411 7.315 11.780 217 2HB LYS 33 2HB LYS 33 8.100 8.761 12.488 218 1HG LYS 33 1HG LYS 33 9.636 7.419 13.487 219 2HG LYS 33 2HG LYS 33 8.352 6.864 14.542 220 1HD LYS 33 HD2 LYS 33 7.990 5.406 12.136 221 2HD LYS 33 HD3 LYS 33 9.723 5.429 12.385 222 1HE LYS 33 2HE LYS 33 9.504 4.464 14.610 223 2HE LYS 33 3HE LYS 33 7.765 4.684 14.603 224 1HZ LYS 33 HZ1 LYS 33 7.481 2.869 13.259 225 2HZ LYS 33 HZ2 LYS 33 8.858 3.089 12.419 226 H ASP 34 HN ASP 34 4.307 7.725 15.078 227 HA ASP 34 HA ASP 34 4.344 4.834 14.709 228 1HB ASP 34 1HB ASP 34 4.735 5.630 17.050 229 2HB ASP 34 2HB ASP 34 3.217 6.505 17.006 230 HD2 ASP 34 HD2 ASP 34 2.752 5.260 18.818 231 H ALA 35 HN ALA 35 2.367 7.844 15.009 232 HA ALA 35 HA ALA 35 -0.136 6.638 14.632 233 1HB ALA 35 1HB ALA 35 1.050 9.359 14.659 234 2HB ALA 35 2HB ALA 35 -0.448 9.193 13.711 235 3HB ALA 35 3HB ALA 35 -0.431 8.748 15.434 236 H PHE 36 HN PHE 36 2.553 7.007 12.533 237 HA PHE 36 HA PHE 36 1.198 7.491 10.117 238 1HB PHE 36 1HB PHE 36 3.841 6.262 11.038 239 2HB PHE 36 2HB PHE 36 3.439 6.234 9.333 240 HD1 PHE 36 HD1 PHE 36 2.811 8.922 11.833 241 HD2 PHE 36 HD2 PHE 36 4.933 7.724 8.359 242 HE1 PHE 36 HE1 PHE 36 3.712 11.250 11.582 243 HE2 PHE 36 HE2 PHE 36 5.835 10.054 8.107 244 HZ PHE 36 HZ PHE 36 5.214 11.789 9.721 245 H GLU 37 HN GLU 37 0.174 6.138 8.674 246 HA GLU 37 HA GLU 37 0.607 3.328 8.855 247 1HB GLU 37 1HB GLU 37 -1.370 4.273 10.515 248 2HB GLU 37 2HB GLU 37 -2.297 3.967 9.059 249 1HG GLU 37 1HG GLU 37 -2.209 1.970 10.567 250 2HG GLU 37 2HG GLU 37 -1.536 1.637 8.984 251 HE2 GLU 37 HE2 GLU 37 0.063 0.374 9.306 252 H LYS 38 HN LYS 38 -0.080 2.224 6.931 253 HA LYS 38 HA LYS 38 0.085 3.524 4.599 254 1HB LYS 38 1HB LYS 38 0.126 1.104 4.803 255 2HB LYS 38 2HB LYS 38 -1.573 1.066 5.226 256 1HG LYS 38 1HG LYS 38 -0.974 2.515 2.692 257 2HG LYS 38 2HG LYS 38 -0.586 0.806 2.655 258 1HD LYS 38 HD2 LYS 38 -2.953 0.391 3.624 259 2HD LYS 38 HD3 LYS 38 -3.286 2.076 3.273 260 1HE LYS 38 2HE LYS 38 -3.492 1.689 1.030 261 2HE LYS 38 3HE LYS 38 -2.049 0.697 0.977 262 1HZ LYS 38 HZ1 LYS 38 -3.299 -1.191 1.700 263 2HZ LYS 38 HZ2 LYS 38 -4.613 -0.307 2.081 264 H GLN 39 HN GLN 39 -1.219 4.662 3.163 265 HA GLN 39 HA GLN 39 -3.992 4.773 3.461 266 1HB GLN 39 1HB GLN 39 -2.813 6.322 5.380 267 2HB GLN 39 2HB GLN 39 -2.908 7.489 4.076 268 1HG GLN 39 1HG GLN 39 -5.295 5.809 4.961 269 2HG GLN 39 2HG GLN 39 -4.943 7.385 5.641 270 1HE2 GLN 39 1HE2 GLN 39 -5.080 9.238 4.376 271 2HE2 GLN 39 2HE2 GLN 39 -5.958 9.295 2.883 Start of MODEL 3 1 1H MET 1 HN MET 1 0.785 0.734 -1.863 2 HA MET 1 HA MET 1 2.621 0.569 -3.133 3 1HB MET 1 1HB MET 1 1.989 3.478 -3.854 4 2HB MET 1 2HB MET 1 3.483 2.713 -4.359 5 1HG MET 1 1HG MET 1 1.920 0.813 -5.315 6 2HG MET 1 2HG MET 1 0.642 2.002 -5.167 7 1HE MET 1 1HE MET 1 2.128 0.671 -8.121 8 2HE MET 1 2HE MET 1 3.643 1.560 -8.401 9 3HE MET 1 3HE MET 1 3.442 0.589 -6.924 10 H ASP 2 HN ASP 2 2.820 0.604 -0.516 11 HA ASP 2 HA ASP 2 3.913 1.218 1.269 12 1HB ASP 2 1HB ASP 2 5.996 1.755 -0.890 13 2HB ASP 2 2HB ASP 2 6.389 1.843 0.815 14 HD2 ASP 2 HD2 ASP 2 6.412 -1.333 1.508 15 H ILE 3 HN ILE 3 2.739 3.104 1.992 16 HA ILE 3 HA ILE 3 4.174 5.594 1.595 17 HB ILE 3 HB ILE 3 1.278 5.189 0.861 18 1HG1 ILE 3 2HG1 ILE 3 3.656 6.241 -0.699 19 2HG1 ILE 3 3HG1 ILE 3 2.895 4.677 -0.908 20 1HG2 ILE 3 1HG2 ILE 3 0.786 7.292 1.373 21 2HG2 ILE 3 2HG2 ILE 3 2.352 7.404 2.212 22 3HG2 ILE 3 3HG2 ILE 3 2.218 7.896 0.507 23 1HD1 ILE 3 1HD1 ILE 3 2.204 7.007 -2.269 24 2HD1 ILE 3 2HD1 ILE 3 1.192 5.547 -2.145 25 3HD1 ILE 3 3HD1 ILE 3 0.950 6.896 -1.011 26 H TYR 4 HN TYR 4 4.245 6.775 3.395 27 HA TYR 4 HA TYR 4 2.637 5.797 5.707 28 1HB TYR 4 1HB TYR 4 5.378 7.095 5.566 29 2HB TYR 4 2HB TYR 4 4.504 6.768 7.071 30 HD1 TYR 4 HD1 TYR 4 4.216 4.486 7.894 31 HD2 TYR 4 HD2 TYR 4 6.367 5.291 4.263 32 HE1 TYR 4 HE1 TYR 4 5.157 2.192 7.942 33 HE2 TYR 4 HE2 TYR 4 7.307 2.997 4.313 34 HH TYR 4 HH TYR 4 7.769 1.172 6.126 35 H VAL 5 HN VAL 5 0.799 7.197 5.412 36 HA VAL 5 HA VAL 5 1.418 10.045 5.303 37 HB VAL 5 HB VAL 5 -1.222 8.586 5.082 38 1HG1 VAL 5 1HG1 VAL 5 -0.925 11.183 5.700 39 2HG1 VAL 5 2HG1 VAL 5 -0.791 11.301 3.929 40 3HG1 VAL 5 3HG1 VAL 5 -2.243 10.581 4.666 41 1HG2 VAL 5 1HG2 VAL 5 0.539 8.068 3.297 42 2HG2 VAL 5 2HG2 VAL 5 -1.038 8.670 2.729 43 3HG2 VAL 5 3HG2 VAL 5 0.363 9.766 2.792 44 H CYS 6 HN CYS 6 1.659 11.108 7.195 45 HA CYS 6 HA CYS 6 1.212 10.041 9.655 46 1HB CYS 6 1HB CYS 6 2.530 12.085 9.122 47 2HB CYS 6 2HB CYS 6 1.031 12.974 8.938 48 H THR 7 HN THR 7 -0.507 10.408 11.272 49 HA THR 7 HA THR 7 -3.116 10.866 9.986 50 HB THR 7 HB THR 7 -3.947 9.354 11.833 51 HG1 THR 7 HG1 THR 7 -2.087 9.925 13.248 52 1HG2 THR 7 1HG2 THR 7 -2.561 7.263 11.156 53 2HG2 THR 7 2HG2 THR 7 -3.414 8.102 9.839 54 3HG2 THR 7 3HG2 THR 7 -1.666 8.351 10.068 55 H VAL 8 HN VAL 8 -1.045 12.799 11.248 56 HA VAL 8 HA VAL 8 -2.912 13.920 13.223 57 HB VAL 8 HB VAL 8 0.090 13.909 13.039 58 1HG1 VAL 8 1HG1 VAL 8 -0.204 16.178 13.465 59 2HG1 VAL 8 2HG1 VAL 8 -1.693 15.917 14.404 60 3HG1 VAL 8 3HG1 VAL 8 -0.114 15.491 15.105 61 1HG2 VAL 8 1HG2 VAL 8 -0.566 12.115 14.348 62 2HG2 VAL 8 2HG2 VAL 8 -0.348 13.389 15.572 63 3HG2 VAL 8 3HG2 VAL 8 -1.982 12.969 15.005 64 H CYS 9 HN CYS 9 -0.431 14.744 10.701 65 HA CYS 9 HA CYS 9 -1.940 17.212 10.257 66 1HB CYS 9 1HB CYS 9 0.192 17.898 9.023 67 2HB CYS 9 2HB CYS 9 0.213 17.871 10.775 68 H GLY 10 HN GLY 10 -1.020 14.071 9.030 69 1HA GLY 10 HA1 GLY 10 -2.029 13.034 7.228 70 2HA GLY 10 HA2 GLY 10 -2.502 14.588 6.570 71 H TYR 11 HN TYR 11 0.704 14.593 7.712 72 HA TYR 11 HA TYR 11 1.997 15.327 5.434 73 1HB TYR 11 1HB TYR 11 2.957 15.104 7.742 74 2HB TYR 11 2HB TYR 11 3.110 13.361 7.461 75 HD1 TYR 11 HD1 TYR 11 5.425 12.990 7.439 76 HD2 TYR 11 HD2 TYR 11 3.766 16.181 5.088 77 HE1 TYR 11 HE1 TYR 11 7.634 13.356 6.375 78 HE2 TYR 11 HE2 TYR 11 5.977 16.545 4.024 79 HH TYR 11 HH TYR 11 8.478 16.077 4.633 80 H GLU 12 HN GLU 12 3.375 14.170 3.815 81 HA GLU 12 HA GLU 12 2.407 11.451 3.411 82 1HB GLU 12 1HB GLU 12 2.294 13.795 1.579 83 2HB GLU 12 2HB GLU 12 2.879 12.319 0.840 84 1HG GLU 12 1HG GLU 12 0.574 11.733 2.531 85 2HG GLU 12 2HG GLU 12 0.175 13.016 1.406 86 HE2 GLU 12 HE2 GLU 12 -1.059 10.561 0.298 87 H TYR 13 HN TYR 13 4.017 10.044 3.408 88 HA TYR 13 HA TYR 13 6.765 11.025 2.833 89 1HB TYR 13 1HB TYR 13 6.219 10.011 5.079 90 2HB TYR 13 2HB TYR 13 5.887 8.485 4.242 91 HD1 TYR 13 HD1 TYR 13 7.616 6.967 3.828 92 HD2 TYR 13 HD2 TYR 13 8.568 11.058 4.732 93 HE1 TYR 13 HE1 TYR 13 10.023 6.384 3.935 94 HE2 TYR 13 HE2 TYR 13 10.975 10.474 4.838 95 HH TYR 13 HH TYR 13 12.433 8.483 5.191 96 H ASP 14 HN ASP 14 8.224 9.563 1.566 97 HA ASP 14 HA ASP 14 6.686 7.735 -0.091 98 1HB ASP 14 1HB ASP 14 7.289 10.092 -1.126 99 2HB ASP 14 2HB ASP 14 8.915 9.448 -1.238 100 HD2 ASP 14 HD2 ASP 14 8.659 9.250 -3.840 101 HA PRO 15 HA PRO 15 10.040 5.434 2.097 102 1HB PRO 15 1HB PRO 15 8.731 3.496 0.133 103 2HB PRO 15 2HB PRO 15 9.338 3.226 1.800 104 1HG PRO 15 1HG PRO 15 6.707 3.735 1.368 105 2HG PRO 15 2HG PRO 15 7.463 4.363 2.870 106 1HD PRO 15 HD2 PRO 15 6.560 5.802 0.404 107 2HD PRO 15 HD3 PRO 15 6.902 6.457 2.034 108 H ALA 16 HN ALA 16 12.039 6.153 1.277 109 HA ALA 16 HA ALA 16 13.246 4.823 -0.782 110 1HB ALA 16 1HB ALA 16 12.548 5.740 -2.707 111 2HB ALA 16 2HB ALA 16 11.348 6.692 -1.799 112 3HB ALA 16 3HB ALA 16 12.966 7.364 -2.112 113 H PHE 17 HN PHE 17 14.434 5.155 1.396 114 HA PHE 17 HA PHE 17 16.368 7.240 0.943 115 1HB PHE 17 1HB PHE 17 14.530 7.004 3.395 116 2HB PHE 17 2HB PHE 17 16.029 7.910 3.453 117 HD1 PHE 17 HD1 PHE 17 16.277 9.985 2.141 118 HD2 PHE 17 HD2 PHE 17 12.594 7.883 2.278 119 HE1 PHE 17 HE1 PHE 17 15.087 12.012 1.263 120 HE2 PHE 17 HE2 PHE 17 11.403 9.911 1.402 121 HZ PHE 17 HZ PHE 17 12.664 11.952 0.905 122 H GLU 18 HN GLU 18 17.805 7.125 3.296 123 HA GLU 18 HA GLU 18 18.100 4.327 3.930 124 1HB GLU 18 1HB GLU 18 19.608 5.058 1.905 125 2HB GLU 18 2HB GLU 18 20.568 5.887 3.115 126 1HG GLU 18 1HG GLU 18 20.361 3.500 4.368 127 2HG GLU 18 2HG GLU 18 20.136 2.933 2.726 128 HE2 GLU 18 HE2 GLU 18 23.101 2.360 2.506 129 H ASP 19 HN ASP 19 17.021 5.695 5.806 130 HA ASP 19 HA ASP 19 18.834 5.795 7.852 131 1HB ASP 19 1HB ASP 19 19.016 8.131 6.286 132 2HB ASP 19 2HB ASP 19 17.993 8.613 7.625 133 HD2 ASP 19 HD2 ASP 19 20.786 9.703 8.780 134 H LEU 20 HN LEU 20 17.086 4.742 8.949 135 HA LEU 20 HA LEU 20 14.923 6.514 9.740 136 1HB LEU 20 1HB LEU 20 14.339 5.054 7.670 137 2HB LEU 20 2HB LEU 20 14.253 3.737 8.823 138 HG LEU 20 HG LEU 20 12.662 6.290 9.143 139 1HD1 LEU 20 1HD1 LEU 20 11.258 5.690 7.537 140 2HD1 LEU 20 2HD1 LEU 20 12.329 4.332 7.119 141 3HD1 LEU 20 3HD1 LEU 20 11.020 4.100 8.303 142 1HD2 LEU 20 1HD2 LEU 20 12.717 5.205 11.205 143 2HD2 LEU 20 2HD2 LEU 20 11.196 4.640 10.474 144 3HD2 LEU 20 3HD2 LEU 20 12.631 3.586 10.471 145 HA PRO 21 HA PRO 21 16.906 4.320 13.227 146 1HB PRO 21 1HB PRO 21 16.251 6.896 14.580 147 2HB PRO 21 2HB PRO 21 17.823 6.053 14.379 148 1HG PRO 21 1HG PRO 21 17.317 8.395 12.936 149 2HG PRO 21 2HG PRO 21 18.311 7.007 12.385 150 1HD PRO 21 HD2 PRO 21 15.353 7.632 11.865 151 2HD PRO 21 HD3 PRO 21 16.621 7.174 10.686 152 H ASP 22 HN ASP 22 15.894 4.478 15.725 153 HA ASP 22 HA ASP 22 13.120 3.819 15.253 154 1HB ASP 22 1HB ASP 22 13.401 3.026 17.760 155 2HB ASP 22 2HB ASP 22 14.086 2.068 16.462 156 HD2 ASP 22 HD2 ASP 22 16.111 1.679 16.558 157 H ASP 23 HN ASP 23 13.249 6.491 15.068 158 HA ASP 23 HA ASP 23 11.743 7.426 17.163 159 1HB ASP 23 1HB ASP 23 14.204 7.315 18.157 160 2HB ASP 23 2HB ASP 23 14.464 8.763 17.206 161 HD2 ASP 23 HD2 ASP 23 13.692 7.742 20.099 162 H TRP 24 HN TRP 24 11.067 7.676 14.666 163 HA TRP 24 HA TRP 24 12.250 10.083 13.509 164 1HB TRP 24 1HB TRP 24 11.920 7.902 12.221 165 2HB TRP 24 2HB TRP 24 10.206 8.264 12.247 166 HD1 TRP 24 HD1 TRP 24 13.299 10.510 11.360 167 HE1 TRP 24 HE1 TRP 24 12.892 11.766 9.075 168 HE3 TRP 24 HE3 TRP 24 8.723 8.486 10.459 169 HZ2 TRP 24 HZ2 TRP 24 10.749 11.772 7.189 170 HZ3 TRP 24 HZ3 TRP 24 7.541 9.169 8.373 171 HH2 TRP 24 HH2 TRP 24 8.482 10.753 6.767 172 H ALA 25 HN ALA 25 11.041 11.990 13.248 173 HA ALA 25 HA ALA 25 8.311 11.904 14.333 174 1HB ALA 25 1HB ALA 25 9.393 14.461 14.849 175 2HB ALA 25 2HB ALA 25 9.032 13.185 16.035 176 3HB ALA 25 3HB ALA 25 10.659 13.304 15.322 177 H CYS 26 HN CYS 26 6.775 13.085 13.187 178 HA CYS 26 HA CYS 26 7.195 13.518 10.524 179 1HB CYS 26 1HB CYS 26 5.024 13.430 12.004 180 2HB CYS 26 2HB CYS 26 5.189 15.176 12.009 181 HA PRO 27 HA PRO 27 9.605 17.238 10.509 182 1HB PRO 27 1HB PRO 27 9.498 17.769 7.846 183 2HB PRO 27 2HB PRO 27 10.342 16.318 8.479 184 1HG PRO 27 1HG PRO 27 7.378 16.310 7.358 185 2HG PRO 27 2HG PRO 27 8.861 15.383 6.963 186 1HD PRO 27 HD2 PRO 27 6.984 14.560 8.837 187 2HD PRO 27 HD3 PRO 27 8.726 14.173 8.978 188 H VAL 28 HN VAL 28 6.219 16.963 10.199 189 HA VAL 28 HA VAL 28 5.976 19.850 9.714 190 HB VAL 28 HB VAL 28 3.946 17.623 9.440 191 1HG1 VAL 28 1HG1 VAL 28 3.351 20.195 10.038 192 2HG1 VAL 28 2HG1 VAL 28 3.437 20.302 8.264 193 3HG1 VAL 28 3HG1 VAL 28 2.319 19.150 9.034 194 1HG2 VAL 28 1HG2 VAL 28 4.501 19.084 7.013 195 2HG2 VAL 28 2HG2 VAL 28 6.010 18.425 7.687 196 3HG2 VAL 28 3HG2 VAL 28 4.642 17.340 7.340 197 H CYS 29 HN CYS 29 3.555 17.717 11.245 198 HA CYS 29 HA CYS 29 2.962 19.424 13.269 199 1HB CYS 29 1HB CYS 29 2.027 17.450 14.451 200 2HB CYS 29 2HB CYS 29 1.510 17.619 12.785 201 H GLY 30 HN GLY 30 5.308 16.649 13.248 202 1HA GLY 30 HA1 GLY 30 7.438 16.909 14.285 203 2HA GLY 30 HA2 GLY 30 6.713 17.945 15.499 204 H ALA 31 HN ALA 31 4.304 15.799 15.227 205 HA ALA 31 HA ALA 31 4.848 14.489 17.610 206 1HB ALA 31 1HB ALA 31 2.698 14.817 15.895 207 2HB ALA 31 2HB ALA 31 3.039 13.076 15.762 208 3HB ALA 31 3HB ALA 31 2.709 13.800 17.354 209 H SER 32 HN SER 32 4.970 12.026 17.872 210 HA SER 32 HA SER 32 7.295 11.178 16.570 211 1HB SER 32 1HB SER 32 6.677 8.942 17.745 212 2HB SER 32 2HB SER 32 7.006 10.337 18.754 213 HG SER 32 HG SER 32 4.311 9.870 17.913 214 H LYS 33 HN LYS 33 7.334 8.802 15.557 215 HA LYS 33 HA LYS 33 5.403 8.880 13.391 216 1HB LYS 33 1HB LYS 33 6.914 7.287 12.303 217 2HB LYS 33 2HB LYS 33 7.757 8.737 12.809 218 1HG LYS 33 1HG LYS 33 9.215 7.446 13.968 219 2HG LYS 33 2HG LYS 33 7.907 6.973 15.036 220 1HD LYS 33 HD2 LYS 33 8.752 4.912 14.186 221 2HD LYS 33 HD3 LYS 33 7.285 5.191 13.269 222 1HE LYS 33 2HE LYS 33 9.855 6.300 12.149 223 2HE LYS 33 3HE LYS 33 9.621 4.566 12.070 224 1HZ LYS 33 HZ1 LYS 33 8.396 5.013 10.248 225 2HZ LYS 33 HZ2 LYS 33 7.227 5.584 11.226 226 H ASP 34 HN ASP 34 4.254 8.269 15.899 227 HA ASP 34 HA ASP 34 4.037 5.391 15.899 228 1HB ASP 34 1HB ASP 34 2.647 5.787 17.963 229 2HB ASP 34 2HB ASP 34 4.272 6.432 18.082 230 HD2 ASP 34 HD2 ASP 34 1.505 8.751 19.111 231 H ALA 35 HN ALA 35 1.995 8.401 15.733 232 HA ALA 35 HA ALA 35 -0.431 7.103 15.261 233 1HB ALA 35 1HB ALA 35 0.529 9.725 15.604 234 2HB ALA 35 2HB ALA 35 -0.220 9.716 13.989 235 3HB ALA 35 3HB ALA 35 -1.168 9.223 15.412 236 H PHE 36 HN PHE 36 2.400 7.410 13.318 237 HA PHE 36 HA PHE 36 1.232 7.607 10.782 238 1HB PHE 36 1HB PHE 36 3.809 6.594 12.050 239 2HB PHE 36 2HB PHE 36 3.547 6.243 10.353 240 HD1 PHE 36 HD1 PHE 36 3.334 9.167 12.674 241 HD2 PHE 36 HD2 PHE 36 4.411 7.734 8.829 242 HE1 PHE 36 HE1 PHE 36 4.203 11.443 12.070 243 HE2 PHE 36 HE2 PHE 36 5.281 10.010 8.224 244 HZ PHE 36 HZ PHE 36 5.166 11.836 9.852 245 H GLU 37 HN GLU 37 0.382 6.102 9.365 246 HA GLU 37 HA GLU 37 0.418 3.348 10.329 247 1HB GLU 37 1HB GLU 37 -1.829 4.833 10.365 248 2HB GLU 37 2HB GLU 37 -1.902 4.334 8.687 249 1HG GLU 37 1HG GLU 37 -2.240 2.097 9.210 250 2HG GLU 37 2HG GLU 37 -1.275 2.175 10.671 251 HE2 GLU 37 HE2 GLU 37 -3.665 1.186 11.725 252 H LYS 38 HN LYS 38 0.293 1.681 8.608 253 HA LYS 38 HA LYS 38 1.630 2.651 6.208 254 1HB LYS 38 1HB LYS 38 2.535 0.773 7.696 255 2HB LYS 38 2HB LYS 38 1.244 -0.224 7.059 256 1HG LYS 38 1HG LYS 38 2.148 -0.286 4.911 257 2HG LYS 38 2HG LYS 38 2.885 1.297 5.052 258 1HD LYS 38 HD2 LYS 38 4.855 0.243 5.455 259 2HD LYS 38 HD3 LYS 38 4.211 -0.215 7.018 260 1HE LYS 38 2HE LYS 38 3.252 -2.299 6.015 261 2HE LYS 38 3HE LYS 38 3.891 -1.840 4.448 262 1HZ LYS 38 HZ1 LYS 38 5.758 -1.982 6.712 263 2HZ LYS 38 HZ2 LYS 38 5.273 -3.379 6.032 264 H GLN 39 HN GLN 39 0.230 3.340 4.661 265 HA GLN 39 HA GLN 39 -1.690 1.404 3.761 266 1HB GLN 39 1HB GLN 39 -2.722 3.095 5.533 267 2HB GLN 39 2HB GLN 39 -2.729 4.210 4.181 268 1HG GLN 39 1HG GLN 39 -3.831 1.442 3.716 269 2HG GLN 39 2HG GLN 39 -4.798 2.553 4.665 270 1HE2 GLN 39 1HE2 GLN 39 -6.371 3.164 3.363 271 2HE2 GLN 39 2HE2 GLN 39 -6.197 3.874 1.793 Start of MODEL 4 1 1H MET 1 HN MET 1 7.564 0.412 -3.814 2 HA MET 1 HA MET 1 5.120 0.769 -3.754 3 1HB MET 1 1HB MET 1 6.592 -1.800 -3.210 4 2HB MET 1 2HB MET 1 4.853 -1.872 -3.000 5 1HG MET 1 1HG MET 1 4.532 -0.965 -5.312 6 2HG MET 1 2HG MET 1 6.269 -0.881 -5.523 7 1HE MET 1 1HE MET 1 5.060 -2.790 -7.838 8 2HE MET 1 2HE MET 1 6.623 -2.096 -7.342 9 3HE MET 1 3HE MET 1 6.462 -3.853 -7.578 10 H ASP 2 HN ASP 2 5.414 2.247 -1.563 11 HA ASP 2 HA ASP 2 3.459 1.181 0.161 12 1HB ASP 2 1HB ASP 2 6.101 0.532 0.844 13 2HB ASP 2 2HB ASP 2 5.786 1.958 1.813 14 HD2 ASP 2 HD2 ASP 2 6.070 -0.851 2.594 15 H ILE 3 HN ILE 3 2.778 2.907 1.770 16 HA ILE 3 HA ILE 3 4.051 5.489 1.412 17 HB ILE 3 HB ILE 3 1.162 4.955 0.721 18 1HG1 ILE 3 2HG1 ILE 3 2.799 4.396 -1.050 19 2HG1 ILE 3 3HG1 ILE 3 1.726 5.709 -1.492 20 1HG2 ILE 3 1HG2 ILE 3 1.978 7.145 2.063 21 2HG2 ILE 3 2HG2 ILE 3 2.304 7.670 0.394 22 3HG2 ILE 3 3HG2 ILE 3 0.666 7.153 0.860 23 1HD1 ILE 3 1HD1 ILE 3 3.466 7.134 -1.764 24 2HD1 ILE 3 2HD1 ILE 3 4.093 6.760 -0.141 25 3HD1 ILE 3 3HD1 ILE 3 4.552 5.745 -1.529 26 H TYR 4 HN TYR 4 3.874 6.780 3.172 27 HA TYR 4 HA TYR 4 2.206 5.775 5.424 28 1HB TYR 4 1HB TYR 4 5.107 6.668 5.489 29 2HB TYR 4 2HB TYR 4 4.107 6.408 6.928 30 HD1 TYR 4 HD1 TYR 4 3.183 4.093 7.380 31 HD2 TYR 4 HD2 TYR 4 6.177 4.862 4.396 32 HE1 TYR 4 HE1 TYR 4 3.789 1.688 7.366 33 HE2 TYR 4 HE2 TYR 4 6.781 2.457 4.382 34 HH TYR 4 HH TYR 4 5.277 0.116 5.124 35 H VAL 5 HN VAL 5 0.637 7.389 5.566 36 HA VAL 5 HA VAL 5 1.651 10.141 5.432 37 HB VAL 5 HB VAL 5 -1.080 8.960 4.906 38 1HG1 VAL 5 1HG1 VAL 5 -2.051 10.990 4.999 39 2HG1 VAL 5 2HG1 VAL 5 -0.656 11.433 6.012 40 3HG1 VAL 5 3HG1 VAL 5 -0.647 11.806 4.271 41 1HG2 VAL 5 1HG2 VAL 5 -0.181 8.670 2.866 42 2HG2 VAL 5 2HG2 VAL 5 -0.337 10.436 2.703 43 3HG2 VAL 5 3HG2 VAL 5 1.208 9.722 3.225 44 H CYS 6 HN CYS 6 1.617 11.372 7.255 45 HA CYS 6 HA CYS 6 1.128 10.216 9.711 46 1HB CYS 6 1HB CYS 6 2.488 12.304 9.098 47 2HB CYS 6 2HB CYS 6 0.975 13.182 9.197 48 H THR 7 HN THR 7 -0.682 10.270 11.136 49 HA THR 7 HA THR 7 -3.196 11.054 9.830 50 HB THR 7 HB THR 7 -4.199 9.368 11.335 51 HG1 THR 7 HG1 THR 7 -2.634 9.875 13.092 52 1HG2 THR 7 1HG2 THR 7 -2.736 7.322 10.788 53 2HG2 THR 7 2HG2 THR 7 -3.251 8.277 9.376 54 3HG2 THR 7 3HG2 THR 7 -1.598 8.449 10.013 55 H VAL 8 HN VAL 8 -1.142 12.804 11.312 56 HA VAL 8 HA VAL 8 -3.024 13.777 13.351 57 HB VAL 8 HB VAL 8 -0.015 13.763 13.208 58 1HG1 VAL 8 1HG1 VAL 8 -0.423 15.991 13.861 59 2HG1 VAL 8 2HG1 VAL 8 -1.822 15.537 14.863 60 3HG1 VAL 8 3HG1 VAL 8 -0.175 15.113 15.389 61 1HG2 VAL 8 1HG2 VAL 8 -0.446 11.900 14.409 62 2HG2 VAL 8 2HG2 VAL 8 -0.729 13.044 15.744 63 3HG2 VAL 8 3HG2 VAL 8 -2.104 12.412 14.807 64 H CYS 9 HN CYS 9 -0.512 14.760 10.922 65 HA CYS 9 HA CYS 9 -1.939 17.304 10.710 66 1HB CYS 9 1HB CYS 9 0.194 18.046 9.540 67 2HB CYS 9 2HB CYS 9 0.251 17.814 11.276 68 H GLY 10 HN GLY 10 -1.096 14.265 9.184 69 1HA GLY 10 HA1 GLY 10 -2.223 13.448 7.316 70 2HA GLY 10 HA2 GLY 10 -2.549 15.082 6.775 71 H TYR 11 HN TYR 11 0.600 14.942 7.912 72 HA TYR 11 HA TYR 11 1.924 15.607 5.617 73 1HB TYR 11 1HB TYR 11 2.833 15.455 7.964 74 2HB TYR 11 2HB TYR 11 3.021 13.711 7.715 75 HD1 TYR 11 HD1 TYR 11 5.331 13.349 7.699 76 HD2 TYR 11 HD2 TYR 11 3.674 16.535 5.341 77 HE1 TYR 11 HE1 TYR 11 7.550 13.736 6.662 78 HE2 TYR 11 HE2 TYR 11 5.894 16.921 4.304 79 HH TYR 11 HH TYR 11 8.076 16.264 4.187 80 H GLU 12 HN GLU 12 3.425 14.322 4.152 81 HA GLU 12 HA GLU 12 2.339 11.643 3.769 82 1HB GLU 12 1HB GLU 12 2.515 13.918 1.861 83 2HB GLU 12 2HB GLU 12 3.086 12.390 1.220 84 1HG GLU 12 1HG GLU 12 0.989 11.345 1.447 85 2HG GLU 12 2HG GLU 12 0.472 12.415 2.735 86 HE2 GLU 12 HE2 GLU 12 0.378 13.906 -1.007 87 H TYR 13 HN TYR 13 3.800 10.053 3.355 88 HA TYR 13 HA TYR 13 6.666 10.873 3.279 89 1HB TYR 13 1HB TYR 13 5.831 9.739 5.374 90 2HB TYR 13 2HB TYR 13 5.482 8.310 4.387 91 HD1 TYR 13 HD1 TYR 13 7.078 6.640 4.328 92 HD2 TYR 13 HD2 TYR 13 8.326 10.691 5.020 93 HE1 TYR 13 HE1 TYR 13 9.418 5.870 4.611 94 HE2 TYR 13 HE2 TYR 13 10.667 9.922 5.302 95 HH TYR 13 HH TYR 13 11.771 7.430 6.045 96 H ASP 14 HN ASP 14 8.127 9.502 1.970 97 HA ASP 14 HA ASP 14 6.660 7.828 0.103 98 1HB ASP 14 1HB ASP 14 7.341 10.249 -0.727 99 2HB ASP 14 2HB ASP 14 8.961 9.584 -0.809 100 HD2 ASP 14 HD2 ASP 14 6.384 10.117 -2.723 101 HA PRO 15 HA PRO 15 9.905 5.369 2.288 102 1HB PRO 15 1HB PRO 15 8.622 3.531 0.218 103 2HB PRO 15 2HB PRO 15 9.165 3.193 1.894 104 1HG PRO 15 1HG PRO 15 6.501 3.766 1.406 105 2HG PRO 15 2HG PRO 15 7.377 4.278 2.885 106 1HD PRO 15 HD2 PRO 15 6.489 5.871 0.478 107 2HD PRO 15 HD3 PRO 15 6.764 6.416 2.161 108 H ALA 16 HN ALA 16 12.063 5.392 1.651 109 HA ALA 16 HA ALA 16 13.117 4.383 -0.588 110 1HB ALA 16 1HB ALA 16 11.785 6.974 -1.159 111 2HB ALA 16 2HB ALA 16 13.447 6.821 -1.775 112 3HB ALA 16 3HB ALA 16 12.208 5.638 -2.256 113 H PHE 17 HN PHE 17 13.014 7.022 1.778 114 HA PHE 17 HA PHE 17 15.597 7.939 1.621 115 1HB PHE 17 1HB PHE 17 13.778 7.363 4.038 116 2HB PHE 17 2HB PHE 17 15.166 8.431 4.102 117 HD1 PHE 17 HD1 PHE 17 12.846 9.648 4.999 118 HD2 PHE 17 HD2 PHE 17 13.987 9.022 0.960 119 HE1 PHE 17 HE1 PHE 17 11.398 11.572 4.292 120 HE2 PHE 17 HE2 PHE 17 12.539 10.946 0.254 121 HZ PHE 17 HZ PHE 17 11.262 12.198 1.927 122 H GLU 18 HN GLU 18 16.998 7.569 3.931 123 HA GLU 18 HA GLU 18 17.409 4.685 4.031 124 1HB GLU 18 1HB GLU 18 19.121 6.032 2.618 125 2HB GLU 18 2HB GLU 18 19.690 6.691 4.140 126 1HG GLU 18 1HG GLU 18 21.088 4.838 3.975 127 2HG GLU 18 2HG GLU 18 19.766 4.127 4.879 128 HE2 GLU 18 HE2 GLU 18 21.484 4.042 2.082 129 H ASP 19 HN ASP 19 18.335 7.839 5.598 130 HA ASP 19 HA ASP 19 19.009 6.799 8.021 131 1HB ASP 19 1HB ASP 19 18.187 9.423 6.933 132 2HB ASP 19 2HB ASP 19 17.771 9.247 8.626 133 HD2 ASP 19 HD2 ASP 19 20.961 10.106 9.515 134 H LEU 20 HN LEU 20 17.557 5.202 8.857 135 HA LEU 20 HA LEU 20 14.927 6.245 9.625 136 1HB LEU 20 1HB LEU 20 15.203 4.490 7.596 137 2HB LEU 20 2HB LEU 20 15.125 3.371 8.942 138 HG LEU 20 HG LEU 20 12.931 3.714 7.940 139 1HD1 LEU 20 1HD1 LEU 20 13.092 3.206 10.340 140 2HD1 LEU 20 2HD1 LEU 20 13.086 4.948 10.703 141 3HD1 LEU 20 3HD1 LEU 20 11.660 4.189 9.956 142 1HD2 LEU 20 1HD2 LEU 20 12.625 6.492 8.916 143 2HD2 LEU 20 2HD2 LEU 20 13.662 6.278 7.485 144 3HD2 LEU 20 3HD2 LEU 20 11.978 5.700 7.459 145 HA PRO 21 HA PRO 21 17.157 4.709 13.290 146 1HB PRO 21 1HB PRO 21 16.773 6.896 14.852 147 2HB PRO 21 2HB PRO 21 17.990 6.893 13.533 148 1HG PRO 21 1HG PRO 21 15.285 8.060 13.495 149 2HG PRO 21 2HG PRO 21 16.822 8.738 12.863 150 1HD PRO 21 HD2 PRO 21 14.875 7.429 11.314 151 2HD PRO 21 HD3 PRO 21 16.607 7.529 10.872 152 H ASP 22 HN ASP 22 16.195 4.556 15.663 153 HA ASP 22 HA ASP 22 13.432 3.833 15.278 154 1HB ASP 22 1HB ASP 22 13.818 2.939 17.719 155 2HB ASP 22 2HB ASP 22 14.564 2.095 16.376 156 HD2 ASP 22 HD2 ASP 22 16.803 3.748 19.180 157 H ASP 23 HN ASP 23 13.509 6.542 15.198 158 HA ASP 23 HA ASP 23 11.999 7.320 17.368 159 1HB ASP 23 1HB ASP 23 13.674 9.150 18.185 160 2HB ASP 23 2HB ASP 23 13.870 7.518 18.791 161 HD2 ASP 23 HD2 ASP 23 16.279 7.053 18.678 162 H TRP 24 HN TRP 24 11.407 7.547 14.770 163 HA TRP 24 HA TRP 24 12.340 10.139 13.800 164 1HB TRP 24 1HB TRP 24 12.288 7.951 12.419 165 2HB TRP 24 2HB TRP 24 10.562 8.232 12.308 166 HD1 TRP 24 HD1 TRP 24 13.607 10.653 11.797 167 HE1 TRP 24 HE1 TRP 24 13.335 12.003 9.547 168 HE3 TRP 24 HE3 TRP 24 9.221 8.483 10.416 169 HZ2 TRP 24 HZ2 TRP 24 11.359 12.012 7.487 170 HZ3 TRP 24 HZ3 TRP 24 8.186 9.220 8.270 171 HH2 TRP 24 HH2 TRP 24 9.184 10.920 6.825 172 H ALA 25 HN ALA 25 10.959 11.918 13.677 173 HA ALA 25 HA ALA 25 8.178 11.440 14.490 174 1HB ALA 25 1HB ALA 25 9.022 14.019 15.375 175 2HB ALA 25 2HB ALA 25 8.538 12.621 16.365 176 3HB ALA 25 3HB ALA 25 10.246 12.846 15.916 177 H CYS 26 HN CYS 26 6.627 12.633 13.364 178 HA CYS 26 HA CYS 26 7.151 13.372 10.813 179 1HB CYS 26 1HB CYS 26 4.916 13.040 12.049 180 2HB CYS 26 2HB CYS 26 5.022 14.743 12.445 181 HA PRO 27 HA PRO 27 9.935 16.824 11.555 182 1HB PRO 27 1HB PRO 27 9.279 17.031 8.590 183 2HB PRO 27 2HB PRO 27 10.848 17.173 9.448 184 1HG PRO 27 1HG PRO 27 10.260 14.719 8.248 185 2HG PRO 27 2HG PRO 27 11.001 14.938 9.868 186 1HD PRO 27 HD2 PRO 27 8.077 14.421 9.102 187 2HD PRO 27 HD3 PRO 27 9.071 13.592 10.339 188 H VAL 28 HN VAL 28 6.614 16.751 10.324 189 HA VAL 28 HA VAL 28 6.462 19.634 10.211 190 HB VAL 28 HB VAL 28 4.429 17.425 9.857 191 1HG1 VAL 28 1HG1 VAL 28 3.282 19.567 8.673 192 2HG1 VAL 28 2HG1 VAL 28 2.963 19.086 10.357 193 3HG1 VAL 28 3HG1 VAL 28 4.136 20.378 10.008 194 1HG2 VAL 28 1HG2 VAL 28 4.562 18.436 7.439 195 2HG2 VAL 28 2HG2 VAL 28 6.153 19.021 7.982 196 3HG2 VAL 28 3HG2 VAL 28 5.795 17.277 7.993 197 H CYS 29 HN CYS 29 3.967 17.565 11.714 198 HA CYS 29 HA CYS 29 3.540 19.345 13.788 199 1HB CYS 29 1HB CYS 29 2.245 17.497 14.827 200 2HB CYS 29 2HB CYS 29 1.812 17.852 13.166 201 H GLY 30 HN GLY 30 5.441 16.264 13.581 202 1HA GLY 30 HA1 GLY 30 7.579 16.231 14.710 203 2HA GLY 30 HA2 GLY 30 6.844 17.083 16.053 204 H ALA 31 HN ALA 31 4.292 15.287 15.405 205 HA ALA 31 HA ALA 31 4.512 13.553 17.486 206 1HB ALA 31 1HB ALA 31 2.977 12.632 15.092 207 2HB ALA 31 2HB ALA 31 2.459 12.803 16.788 208 3HB ALA 31 3HB ALA 31 2.573 14.239 15.741 209 H SER 32 HN SER 32 4.656 11.119 17.485 210 HA SER 32 HA SER 32 7.082 10.385 16.297 211 1HB SER 32 1HB SER 32 6.644 8.171 17.315 212 2HB SER 32 2HB SER 32 6.336 9.465 18.454 213 HG SER 32 HG SER 32 3.997 9.144 17.299 214 H LYS 33 HN LYS 33 7.133 8.050 15.113 215 HA LYS 33 HA LYS 33 5.475 8.413 12.763 216 1HB LYS 33 1HB LYS 33 7.073 7.223 11.610 217 2HB LYS 33 2HB LYS 33 8.048 7.983 12.852 218 1HG LYS 33 1HG LYS 33 6.989 5.120 12.856 219 2HG LYS 33 2HG LYS 33 8.662 5.619 12.706 220 1HD LYS 33 HD2 LYS 33 8.543 6.633 15.009 221 2HD LYS 33 HD3 LYS 33 6.890 6.067 15.156 222 1HE LYS 33 2HE LYS 33 8.886 3.984 14.362 223 2HE LYS 33 3HE LYS 33 9.081 4.628 15.979 224 1HZ LYS 33 HZ1 LYS 33 6.416 3.753 15.054 225 2HZ LYS 33 HZ2 LYS 33 7.473 2.667 15.650 226 H ASP 34 HN ASP 34 4.626 7.329 15.587 227 HA ASP 34 HA ASP 34 3.879 4.657 14.905 228 1HB ASP 34 1HB ASP 34 2.973 4.550 17.145 229 2HB ASP 34 2HB ASP 34 4.500 5.405 17.244 230 HD2 ASP 34 HD2 ASP 34 1.506 6.535 18.969 231 H ALA 35 HN ALA 35 2.629 7.938 14.722 232 HA ALA 35 HA ALA 35 -0.139 7.151 14.643 233 1HB ALA 35 1HB ALA 35 -0.275 9.668 13.910 234 2HB ALA 35 2HB ALA 35 0.177 9.268 15.584 235 3HB ALA 35 3HB ALA 35 1.433 9.716 14.406 236 H PHE 36 HN PHE 36 2.494 6.900 12.540 237 HA PHE 36 HA PHE 36 1.072 7.599 10.142 238 1HB PHE 36 1HB PHE 36 3.752 6.342 10.931 239 2HB PHE 36 2HB PHE 36 3.271 6.386 9.246 240 HD1 PHE 36 HD1 PHE 36 3.072 8.877 12.030 241 HD2 PHE 36 HD2 PHE 36 4.452 8.001 8.114 242 HE1 PHE 36 HE1 PHE 36 3.985 11.206 11.830 243 HE2 PHE 36 HE2 PHE 36 5.366 10.330 7.915 244 HZ PHE 36 HZ PHE 36 5.122 11.905 9.776 245 H GLU 37 HN GLU 37 0.110 6.207 8.663 246 HA GLU 37 HA GLU 37 0.478 3.392 8.999 247 1HB GLU 37 1HB GLU 37 -1.509 4.384 10.533 248 2HB GLU 37 2HB GLU 37 -2.406 4.238 9.035 249 1HG GLU 37 1HG GLU 37 -2.287 1.918 9.015 250 2HG GLU 37 2HG GLU 37 -0.716 1.879 9.790 251 HE2 GLU 37 HE2 GLU 37 -2.458 0.895 12.621 252 H LYS 38 HN LYS 38 -0.392 2.158 7.147 253 HA LYS 38 HA LYS 38 0.073 3.277 4.733 254 1HB LYS 38 1HB LYS 38 -0.107 0.886 5.085 255 2HB LYS 38 2HB LYS 38 -1.817 1.016 5.442 256 1HG LYS 38 1HG LYS 38 -2.252 1.866 3.141 257 2HG LYS 38 2HG LYS 38 -0.539 1.796 2.778 258 1HD LYS 38 HD2 LYS 38 -0.529 -0.656 3.098 259 2HD LYS 38 HD3 LYS 38 -2.207 -0.628 3.601 260 1HE LYS 38 2HE LYS 38 -2.618 -1.087 1.388 261 2HE LYS 38 3HE LYS 38 -2.443 0.646 1.191 262 1HZ LYS 38 HZ1 LYS 38 -0.885 -1.256 -0.017 263 2HZ LYS 38 HZ2 LYS 38 -0.543 0.335 0.045 264 H GLN 39 HN GLN 39 -1.081 4.364 3.120 265 HA GLN 39 HA GLN 39 -3.855 4.865 3.532 266 1HB GLN 39 1HB GLN 39 -2.240 6.630 4.835 267 2HB GLN 39 2HB GLN 39 -2.291 7.403 3.262 268 1HG GLN 39 1HG GLN 39 -4.330 8.246 3.775 269 2HG GLN 39 2HG GLN 39 -4.973 6.615 3.799 270 1HE2 GLN 39 1HE2 GLN 39 -6.339 7.933 5.384 271 2HE2 GLN 39 2HE2 GLN 39 -5.894 7.847 7.056 Start of MODEL 5 1 1H MET 1 HN MET 1 5.995 -1.559 2.297 2 HA MET 1 HA MET 1 6.141 0.580 2.698 3 1HB MET 1 1HB MET 1 9.003 0.280 1.632 4 2HB MET 1 2HB MET 1 8.394 1.772 2.322 5 1HG MET 1 1HG MET 1 9.039 0.973 4.353 6 2HG MET 1 2HG MET 1 7.700 -0.151 4.249 7 1HE MET 1 1HE MET 1 11.768 -1.003 4.922 8 2HE MET 1 2HE MET 1 11.911 -0.208 3.336 9 3HE MET 1 3HE MET 1 11.004 0.581 4.647 10 H ASP 2 HN ASP 2 4.830 1.817 1.430 11 HA ASP 2 HA ASP 2 5.713 2.196 -1.323 12 1HB ASP 2 1HB ASP 2 3.532 0.818 -0.813 13 2HB ASP 2 2HB ASP 2 2.819 2.367 -0.409 14 HD2 ASP 2 HD2 ASP 2 1.887 2.571 -3.698 15 H ILE 3 HN ILE 3 3.450 3.510 1.227 16 HA ILE 3 HA ILE 3 4.686 6.108 0.971 17 HB ILE 3 HB ILE 3 1.905 5.502 0.040 18 1HG1 ILE 3 2HG1 ILE 3 4.169 7.222 -1.010 19 2HG1 ILE 3 3HG1 ILE 3 3.645 5.675 -1.645 20 1HG2 ILE 3 1HG2 ILE 3 1.272 7.104 1.565 21 2HG2 ILE 3 2HG2 ILE 3 2.830 7.962 1.483 22 3HG2 ILE 3 3HG2 ILE 3 1.662 8.108 0.148 23 1HD1 ILE 3 1HD1 ILE 3 2.451 8.366 -2.005 24 2HD1 ILE 3 2HD1 ILE 3 2.352 6.929 -3.050 25 3HD1 ILE 3 3HD1 ILE 3 1.265 7.087 -1.649 26 H TYR 4 HN TYR 4 4.469 7.328 2.796 27 HA TYR 4 HA TYR 4 2.927 6.093 5.026 28 1HB TYR 4 1HB TYR 4 5.749 7.190 4.972 29 2HB TYR 4 2HB TYR 4 4.830 7.000 6.477 30 HD1 TYR 4 HD1 TYR 4 3.807 4.616 6.898 31 HD2 TYR 4 HD2 TYR 4 7.053 5.425 4.204 32 HE1 TYR 4 HE1 TYR 4 4.507 2.240 7.027 33 HE2 TYR 4 HE2 TYR 4 7.753 3.050 4.333 34 HH TYR 4 HH TYR 4 6.559 0.842 6.657 35 H VAL 5 HN VAL 5 1.179 7.525 5.183 36 HA VAL 5 HA VAL 5 1.908 10.370 5.234 37 HB VAL 5 HB VAL 5 -0.778 9.085 4.705 38 1HG1 VAL 5 1HG1 VAL 5 -0.078 11.891 3.922 39 2HG1 VAL 5 2HG1 VAL 5 -1.651 11.182 4.360 40 3HG1 VAL 5 3HG1 VAL 5 -0.457 11.551 5.628 41 1HG2 VAL 5 1HG2 VAL 5 0.357 8.476 2.795 42 2HG2 VAL 5 2HG2 VAL 5 -0.206 10.100 2.330 43 3HG2 VAL 5 3HG2 VAL 5 1.471 9.863 2.879 44 H CYS 6 HN CYS 6 1.646 11.505 7.107 45 HA CYS 6 HA CYS 6 1.147 10.096 9.469 46 1HB CYS 6 1HB CYS 6 2.532 12.200 9.143 47 2HB CYS 6 2HB CYS 6 1.025 13.094 9.128 48 H THR 7 HN THR 7 -0.705 10.214 10.908 49 HA THR 7 HA THR 7 -3.177 10.975 9.501 50 HB THR 7 HB THR 7 -4.220 9.242 10.964 51 HG1 THR 7 HG1 THR 7 -2.618 9.632 12.717 52 1HG2 THR 7 1HG2 THR 7 -2.682 7.229 10.305 53 2HG2 THR 7 2HG2 THR 7 -3.388 8.181 8.978 54 3HG2 THR 7 3HG2 THR 7 -1.694 8.441 9.455 55 H VAL 8 HN VAL 8 -1.143 12.597 11.238 56 HA VAL 8 HA VAL 8 -3.137 13.505 13.196 57 HB VAL 8 HB VAL 8 -0.119 13.614 13.172 58 1HG1 VAL 8 1HG1 VAL 8 -1.177 14.549 15.651 59 2HG1 VAL 8 2HG1 VAL 8 -0.162 15.421 14.476 60 3HG1 VAL 8 3HG1 VAL 8 -1.936 15.488 14.343 61 1HG2 VAL 8 1HG2 VAL 8 -1.333 11.491 13.881 62 2HG2 VAL 8 2HG2 VAL 8 -0.203 12.188 15.066 63 3HG2 VAL 8 3HG2 VAL 8 -1.957 12.423 15.262 64 H CYS 9 HN CYS 9 -0.568 14.587 10.875 65 HA CYS 9 HA CYS 9 -1.975 17.148 10.752 66 1HB CYS 9 1HB CYS 9 0.179 17.927 9.649 67 2HB CYS 9 2HB CYS 9 0.211 17.613 11.373 68 H GLY 10 HN GLY 10 -1.033 14.195 9.076 69 1HA GLY 10 HA1 GLY 10 -2.068 13.421 7.155 70 2HA GLY 10 HA2 GLY 10 -2.550 15.051 6.731 71 H TYR 11 HN TYR 11 0.679 14.780 7.855 72 HA TYR 11 HA TYR 11 1.884 15.811 5.554 73 1HB TYR 11 1HB TYR 11 2.861 15.705 7.847 74 2HB TYR 11 2HB TYR 11 3.120 13.966 7.625 75 HD1 TYR 11 HD1 TYR 11 5.370 13.507 7.359 76 HD2 TYR 11 HD2 TYR 11 3.707 16.968 5.434 77 HE1 TYR 11 HE1 TYR 11 7.562 13.968 6.295 78 HE2 TYR 11 HE2 TYR 11 5.899 17.429 4.370 79 HH TYR 11 HH TYR 11 8.079 16.785 4.154 80 H GLU 12 HN GLU 12 3.445 14.727 4.009 81 HA GLU 12 HA GLU 12 2.611 11.972 3.551 82 1HB GLU 12 1HB GLU 12 2.534 14.317 1.725 83 2HB GLU 12 2HB GLU 12 3.233 12.874 1.019 84 1HG GLU 12 1HG GLU 12 1.126 11.653 2.062 85 2HG GLU 12 2HG GLU 12 0.442 13.265 2.138 86 HE2 GLU 12 HE2 GLU 12 -0.420 11.195 0.514 87 H TYR 13 HN TYR 13 4.216 10.544 3.216 88 HA TYR 13 HA TYR 13 6.987 11.633 3.058 89 1HB TYR 13 1HB TYR 13 6.413 10.436 5.150 90 2HB TYR 13 2HB TYR 13 5.978 9.005 4.199 91 HD1 TYR 13 HD1 TYR 13 7.567 7.342 3.944 92 HD2 TYR 13 HD2 TYR 13 8.863 11.378 4.642 93 HE1 TYR 13 HE1 TYR 13 9.923 6.571 4.025 94 HE2 TYR 13 HE2 TYR 13 11.219 10.607 4.723 95 HH TYR 13 HH TYR 13 12.643 8.784 4.134 96 H ASP 14 HN ASP 14 8.574 10.272 1.797 97 HA ASP 14 HA ASP 14 7.184 8.657 -0.183 98 1HB ASP 14 1HB ASP 14 7.927 11.092 -0.895 99 2HB ASP 14 2HB ASP 14 9.546 10.420 -0.911 100 HD2 ASP 14 HD2 ASP 14 9.502 10.641 -3.476 101 HA PRO 15 HA PRO 15 10.253 6.022 2.021 102 1HB PRO 15 1HB PRO 15 9.129 4.352 -0.273 103 2HB PRO 15 2HB PRO 15 9.541 3.885 1.410 104 1HG PRO 15 1HG PRO 15 7.052 4.492 0.647 105 2HG PRO 15 2HG PRO 15 7.498 4.908 2.334 106 1HD PRO 15 HD2 PRO 15 6.991 6.675 -0.007 107 2HD PRO 15 HD3 PRO 15 7.133 7.113 1.723 108 H ALA 16 HN ALA 16 12.197 7.163 1.363 109 HA ALA 16 HA ALA 16 13.675 5.901 -0.630 110 1HB ALA 16 1HB ALA 16 13.791 7.707 -2.315 111 2HB ALA 16 2HB ALA 16 12.144 7.044 -2.186 112 3HB ALA 16 3HB ALA 16 12.535 8.609 -1.434 113 H PHE 17 HN PHE 17 14.695 6.020 1.626 114 HA PHE 17 HA PHE 17 16.529 8.258 1.593 115 1HB PHE 17 1HB PHE 17 14.417 7.606 3.678 116 2HB PHE 17 2HB PHE 17 15.967 8.168 4.269 117 HD1 PHE 17 HD1 PHE 17 13.210 9.090 1.952 118 HD2 PHE 17 HD2 PHE 17 16.437 10.454 4.346 119 HE1 PHE 17 HE1 PHE 17 12.502 11.465 1.554 120 HE2 PHE 17 HE2 PHE 17 15.728 12.829 3.949 121 HZ PHE 17 HZ PHE 17 13.769 13.306 2.557 122 H GLU 18 HN GLU 18 17.866 7.825 3.976 123 HA GLU 18 HA GLU 18 18.409 4.977 4.015 124 1HB GLU 18 1HB GLU 18 20.042 5.912 2.435 125 2HB GLU 18 2HB GLU 18 20.509 7.146 3.589 126 1HG GLU 18 1HG GLU 18 20.805 4.752 5.037 127 2HG GLU 18 2HG GLU 18 21.349 4.323 3.428 128 HE2 GLU 18 HE2 GLU 18 22.190 6.987 5.850 129 H ASP 19 HN ASP 19 16.914 5.936 5.973 130 HA ASP 19 HA ASP 19 18.432 5.569 8.234 131 1HB ASP 19 1HB ASP 19 18.629 8.231 7.283 132 2HB ASP 19 2HB ASP 19 17.457 8.318 8.583 133 HD2 ASP 19 HD2 ASP 19 18.286 6.916 10.457 134 H LEU 20 HN LEU 20 16.617 4.223 8.766 135 HA LEU 20 HA LEU 20 14.214 5.705 9.519 136 1HB LEU 20 1HB LEU 20 14.106 4.502 7.216 137 2HB LEU 20 2HB LEU 20 13.995 3.035 8.168 138 HG LEU 20 HG LEU 20 12.107 5.354 8.596 139 1HD1 LEU 20 1HD1 LEU 20 12.124 3.324 6.418 140 2HD1 LEU 20 2HD1 LEU 20 10.563 3.695 7.189 141 3HD1 LEU 20 3HD1 LEU 20 11.513 4.995 6.433 142 1HD2 LEU 20 1HD2 LEU 20 10.687 3.178 9.219 143 2HD2 LEU 20 2HD2 LEU 20 12.317 2.546 9.555 144 3HD2 LEU 20 3HD2 LEU 20 11.742 4.010 10.388 145 HA PRO 21 HA PRO 21 15.658 3.073 12.933 146 1HB PRO 21 1HB PRO 21 15.691 5.001 14.848 147 2HB PRO 21 2HB PRO 21 16.985 4.885 13.611 148 1HG PRO 21 1HG PRO 21 14.657 6.756 13.676 149 2HG PRO 21 2HG PRO 21 16.368 7.044 13.218 150 1HD PRO 21 HD2 PRO 21 14.216 6.552 11.434 151 2HD PRO 21 HD3 PRO 21 15.948 6.343 11.038 152 H ASP 22 HN ASP 22 14.503 2.927 15.277 153 HA ASP 22 HA ASP 22 11.699 2.875 14.626 154 1HB ASP 22 1HB ASP 22 11.643 1.696 16.962 155 2HB ASP 22 2HB ASP 22 12.357 0.840 15.610 156 HD2 ASP 22 HD2 ASP 22 15.326 0.440 17.058 157 H ASP 23 HN ASP 23 12.265 5.488 14.818 158 HA ASP 23 HA ASP 23 10.819 6.356 17.007 159 1HB ASP 23 1HB ASP 23 13.278 5.802 17.923 160 2HB ASP 23 2HB ASP 23 13.664 7.356 17.213 161 HD2 ASP 23 HD2 ASP 23 13.618 8.600 19.704 162 H TRP 24 HN TRP 24 10.258 6.955 14.516 163 HA TRP 24 HA TRP 24 11.716 9.369 13.733 164 1HB TRP 24 1HB TRP 24 11.292 7.358 12.172 165 2HB TRP 24 2HB TRP 24 9.641 7.940 12.091 166 HD1 TRP 24 HD1 TRP 24 13.016 9.922 11.833 167 HE1 TRP 24 HE1 TRP 24 13.022 11.446 9.680 168 HE3 TRP 24 HE3 TRP 24 8.452 8.451 10.142 169 HZ2 TRP 24 HZ2 TRP 24 11.158 11.855 7.557 170 HZ3 TRP 24 HZ3 TRP 24 7.619 9.462 8.021 171 HH2 TRP 24 HH2 TRP 24 8.893 11.109 6.740 172 H ALA 25 HN ALA 25 10.662 11.379 13.654 173 HA ALA 25 HA ALA 25 7.864 11.361 14.556 174 1HB ALA 25 1HB ALA 25 8.995 12.089 16.470 175 2HB ALA 25 2HB ALA 25 10.251 12.930 15.532 176 3HB ALA 25 3HB ALA 25 8.617 13.622 15.651 177 H CYS 26 HN CYS 26 6.471 12.725 13.445 178 HA CYS 26 HA CYS 26 7.102 13.440 10.884 179 1HB CYS 26 1HB CYS 26 4.829 13.309 12.247 180 2HB CYS 26 2HB CYS 26 5.061 15.041 12.365 181 HA PRO 27 HA PRO 27 9.629 17.033 11.470 182 1HB PRO 27 1HB PRO 27 9.743 17.881 8.901 183 2HB PRO 27 2HB PRO 27 10.459 16.310 9.390 184 1HG PRO 27 1HG PRO 27 7.536 16.567 8.081 185 2HG PRO 27 2HG PRO 27 9.047 15.685 7.690 186 1HD PRO 27 HD2 PRO 27 7.024 14.686 9.332 187 2HD PRO 27 HD3 PRO 27 8.745 14.229 9.507 188 H VAL 28 HN VAL 28 6.269 16.947 10.968 189 HA VAL 28 HA VAL 28 6.172 19.882 10.862 190 HB VAL 28 HB VAL 28 4.083 17.852 10.049 191 1HG1 VAL 28 1HG1 VAL 28 3.742 20.510 10.838 192 2HG1 VAL 28 2HG1 VAL 28 3.735 20.569 9.060 193 3HG1 VAL 28 3HG1 VAL 28 2.590 19.512 9.920 194 1HG2 VAL 28 1HG2 VAL 28 5.264 17.684 8.154 195 2HG2 VAL 28 2HG2 VAL 28 4.781 19.364 7.818 196 3HG2 VAL 28 3HG2 VAL 28 6.338 19.027 8.612 197 H CYS 29 HN CYS 29 3.499 17.707 11.759 198 HA CYS 29 HA CYS 29 2.720 19.070 13.944 199 1HB CYS 29 1HB CYS 29 1.609 17.030 14.704 200 2HB CYS 29 2HB CYS 29 1.391 17.313 12.989 201 H GLY 30 HN GLY 30 5.196 16.443 13.709 202 1HA GLY 30 HA1 GLY 30 7.095 16.261 14.992 203 2HA GLY 30 HA2 GLY 30 6.471 17.447 16.123 204 H ALA 31 HN ALA 31 4.599 14.619 14.948 205 HA ALA 31 HA ALA 31 4.422 13.716 17.713 206 1HB ALA 31 1HB ALA 31 2.476 14.129 15.936 207 2HB ALA 31 2HB ALA 31 2.899 12.472 15.443 208 3HB ALA 31 3HB ALA 31 2.385 12.800 17.116 209 H SER 32 HN SER 32 4.500 11.288 18.087 210 HA SER 32 HA SER 32 6.946 10.354 17.093 211 1HB SER 32 1HB SER 32 6.392 8.291 18.397 212 2HB SER 32 2HB SER 32 6.204 9.761 19.335 213 HG SER 32 HG SER 32 4.029 9.527 19.381 214 H LYS 33 HN LYS 33 7.325 8.365 15.820 215 HA LYS 33 HA LYS 33 6.100 8.244 13.444 216 1HB LYS 33 1HB LYS 33 8.158 7.058 13.982 217 2HB LYS 33 2HB LYS 33 7.291 5.940 15.016 218 1HG LYS 33 1HG LYS 33 6.151 6.147 12.282 219 2HG LYS 33 2HG LYS 33 7.802 5.562 12.305 220 1HD LYS 33 HD2 LYS 33 7.017 3.929 14.179 221 2HD LYS 33 HD3 LYS 33 5.385 4.368 13.718 222 1HE LYS 33 2HE LYS 33 5.905 3.680 11.342 223 2HE LYS 33 3HE LYS 33 7.498 3.167 11.864 224 1HZ LYS 33 HZ1 LYS 33 6.093 1.260 11.923 225 2HZ LYS 33 HZ2 LYS 33 6.302 1.666 13.486 226 H ASP 34 HN ASP 34 5.152 6.317 16.367 227 HA ASP 34 HA ASP 34 3.184 4.849 15.329 228 1HB ASP 34 1HB ASP 34 2.000 5.548 17.684 229 2HB ASP 34 2HB ASP 34 3.335 4.417 17.576 230 HD2 ASP 34 HD2 ASP 34 3.870 7.269 19.978 231 H ALA 35 HN ALA 35 1.889 5.832 13.679 232 HA ALA 35 HA ALA 35 -0.437 7.011 14.227 233 1HB ALA 35 1HB ALA 35 0.086 9.024 15.131 234 2HB ALA 35 2HB ALA 35 1.763 8.960 14.539 235 3HB ALA 35 3HB ALA 35 0.458 9.504 13.458 236 H PHE 36 HN PHE 36 2.453 6.841 12.189 237 HA PHE 36 HA PHE 36 1.102 7.634 9.809 238 1HB PHE 36 1HB PHE 36 3.735 6.301 10.613 239 2HB PHE 36 2HB PHE 36 3.317 6.424 8.916 240 HD1 PHE 36 HD1 PHE 36 3.622 8.559 11.960 241 HD2 PHE 36 HD2 PHE 36 3.966 8.307 7.738 242 HE1 PHE 36 HE1 PHE 36 4.561 10.886 11.897 243 HE2 PHE 36 HE2 PHE 36 4.906 10.634 7.675 244 HZ PHE 36 HZ PHE 36 5.192 11.895 9.756 245 H GLU 37 HN GLU 37 0.262 6.350 8.140 246 HA GLU 37 HA GLU 37 0.437 3.491 8.491 247 1HB GLU 37 1HB GLU 37 -1.798 4.817 9.456 248 2HB GLU 37 2HB GLU 37 -2.313 4.391 7.837 249 1HG GLU 37 1HG GLU 37 -2.660 2.253 8.499 250 2HG GLU 37 2HG GLU 37 -0.962 2.094 8.902 251 HE2 GLU 37 HE2 GLU 37 -4.088 2.616 10.429 252 H LYS 38 HN LYS 38 0.050 2.301 6.505 253 HA LYS 38 HA LYS 38 0.952 3.546 4.228 254 1HB LYS 38 1HB LYS 38 1.048 1.142 4.576 255 2HB LYS 38 2HB LYS 38 -0.700 1.024 4.548 256 1HG LYS 38 1HG LYS 38 -0.234 2.341 2.165 257 2HG LYS 38 2HG LYS 38 1.213 1.359 2.285 258 1HD LYS 38 HD2 LYS 38 -0.265 -0.667 2.700 259 2HD LYS 38 HD3 LYS 38 -1.667 0.347 2.419 260 1HE LYS 38 2HE LYS 38 0.053 0.848 0.212 261 2HE LYS 38 3HE LYS 38 0.141 -0.883 0.470 262 1HZ LYS 38 HZ1 LYS 38 -2.552 -0.025 0.691 263 2HZ LYS 38 HZ2 LYS 38 -1.943 0.503 -0.725 264 H GLN 39 HN GLN 39 0.010 4.527 2.433 265 HA GLN 39 HA GLN 39 -2.871 4.712 2.435 266 1HB GLN 39 1HB GLN 39 -1.961 6.690 3.732 267 2HB GLN 39 2HB GLN 39 -1.105 7.193 2.289 268 1HG GLN 39 1HG GLN 39 -3.822 6.682 1.507 269 2HG GLN 39 2HG GLN 39 -3.888 7.621 2.985 270 1HE2 GLN 39 1HE2 GLN 39 -4.842 9.184 1.472 271 2HE2 GLN 39 2HE2 GLN 39 -3.806 10.283 0.624 Start of MODEL 6 1 1H MET 1 HN MET 1 -0.374 -0.215 -0.777 2 HA MET 1 HA MET 1 1.556 0.909 -2.653 3 1HB MET 1 1HB MET 1 -0.686 2.273 -1.076 4 2HB MET 1 2HB MET 1 0.658 3.189 -1.729 5 1HG MET 1 1HG MET 1 -0.949 1.332 -3.521 6 2HG MET 1 2HG MET 1 -1.530 2.947 -3.171 7 1HE MET 1 1HE MET 1 -0.244 3.479 -6.677 8 2HE MET 1 2HE MET 1 -0.252 1.732 -6.338 9 3HE MET 1 3HE MET 1 -1.546 2.770 -5.691 10 H ASP 2 HN ASP 2 3.261 2.241 -1.661 11 HA ASP 2 HA ASP 2 3.605 1.511 1.140 12 1HB ASP 2 1HB ASP 2 6.101 2.004 0.566 13 2HB ASP 2 2HB ASP 2 5.399 0.506 -0.014 14 HD2 ASP 2 HD2 ASP 2 6.931 3.320 -0.967 15 H ILE 3 HN ILE 3 2.482 3.471 1.886 16 HA ILE 3 HA ILE 3 4.144 5.852 1.626 17 HB ILE 3 HB ILE 3 1.289 5.583 0.780 18 1HG1 ILE 3 2HG1 ILE 3 3.344 7.436 -0.384 19 2HG1 ILE 3 3HG1 ILE 3 3.462 5.718 -0.707 20 1HG2 ILE 3 1HG2 ILE 3 2.516 8.174 1.763 21 2HG2 ILE 3 2HG2 ILE 3 0.901 7.955 1.048 22 3HG2 ILE 3 3HG2 ILE 3 1.281 7.226 2.627 23 1HD1 ILE 3 1HD1 ILE 3 1.298 7.658 -1.508 24 2HD1 ILE 3 2HD1 ILE 3 2.092 6.390 -2.471 25 3HD1 ILE 3 3HD1 ILE 3 0.863 5.950 -1.262 26 H TYR 4 HN TYR 4 4.165 7.124 3.426 27 HA TYR 4 HA TYR 4 2.723 6.007 5.786 28 1HB TYR 4 1HB TYR 4 5.474 7.173 5.401 29 2HB TYR 4 2HB TYR 4 4.684 7.258 6.986 30 HD1 TYR 4 HD1 TYR 4 3.682 4.966 7.859 31 HD2 TYR 4 HD2 TYR 4 6.777 5.321 4.902 32 HE1 TYR 4 HE1 TYR 4 4.418 2.648 8.351 33 HE2 TYR 4 HE2 TYR 4 7.513 3.004 5.394 34 HH TYR 4 HH TYR 4 6.019 1.043 7.970 35 H VAL 5 HN VAL 5 0.899 7.505 4.890 36 HA VAL 5 HA VAL 5 1.407 10.308 5.117 37 HB VAL 5 HB VAL 5 -1.098 8.654 4.772 38 1HG1 VAL 5 1HG1 VAL 5 -1.896 10.627 5.771 39 2HG1 VAL 5 2HG1 VAL 5 -0.715 11.648 4.916 40 3HG1 VAL 5 3HG1 VAL 5 -2.070 10.918 4.023 41 1HG2 VAL 5 1HG2 VAL 5 -0.656 10.241 2.514 42 2HG2 VAL 5 2HG2 VAL 5 0.959 9.642 2.963 43 3HG2 VAL 5 3HG2 VAL 5 -0.365 8.491 2.665 44 H CYS 6 HN CYS 6 1.581 11.397 6.998 45 HA CYS 6 HA CYS 6 1.190 10.249 9.459 46 1HB CYS 6 1HB CYS 6 2.506 12.317 8.910 47 2HB CYS 6 2HB CYS 6 0.996 13.201 8.838 48 H THR 7 HN THR 7 -0.517 10.633 11.097 49 HA THR 7 HA THR 7 -3.129 11.131 9.828 50 HB THR 7 HB THR 7 -3.915 9.629 11.778 51 HG1 THR 7 HG1 THR 7 -1.920 9.911 13.016 52 1HG2 THR 7 1HG2 THR 7 -2.107 7.730 10.600 53 2HG2 THR 7 2HG2 THR 7 -3.826 7.971 10.210 54 3HG2 THR 7 3HG2 THR 7 -2.577 8.870 9.317 55 H VAL 8 HN VAL 8 -0.976 12.950 11.215 56 HA VAL 8 HA VAL 8 -2.830 14.055 13.208 57 HB VAL 8 HB VAL 8 0.175 14.247 12.937 58 1HG1 VAL 8 1HG1 VAL 8 -0.171 15.383 15.285 59 2HG1 VAL 8 2HG1 VAL 8 -0.311 16.339 13.791 60 3HG1 VAL 8 3HG1 VAL 8 -1.778 15.780 14.629 61 1HG2 VAL 8 1HG2 VAL 8 -1.537 12.371 14.249 62 2HG2 VAL 8 2HG2 VAL 8 0.241 12.454 14.257 63 3HG2 VAL 8 3HG2 VAL 8 -0.697 13.324 15.495 64 H CYS 9 HN CYS 9 -0.391 14.954 10.669 65 HA CYS 9 HA CYS 9 -1.920 17.423 10.311 66 1HB CYS 9 1HB CYS 9 0.268 18.035 8.996 67 2HB CYS 9 2HB CYS 9 0.162 18.212 10.736 68 H GLY 10 HN GLY 10 -1.026 14.319 9.004 69 1HA GLY 10 HA1 GLY 10 -2.060 13.340 7.181 70 2HA GLY 10 HA2 GLY 10 -2.490 14.918 6.549 71 H TYR 11 HN TYR 11 0.703 14.848 7.706 72 HA TYR 11 HA TYR 11 2.025 15.579 5.445 73 1HB TYR 11 1HB TYR 11 2.980 15.335 7.739 74 2HB TYR 11 2HB TYR 11 3.071 13.584 7.481 75 HD1 TYR 11 HD1 TYR 11 5.369 13.125 7.472 76 HD2 TYR 11 HD2 TYR 11 3.844 16.352 5.081 77 HE1 TYR 11 HE1 TYR 11 7.596 13.395 6.416 78 HE2 TYR 11 HE2 TYR 11 6.071 16.622 4.025 79 HH TYR 11 HH TYR 11 8.243 14.812 3.683 80 H GLU 12 HN GLU 12 3.364 14.428 3.803 81 HA GLU 12 HA GLU 12 2.369 11.722 3.378 82 1HB GLU 12 1HB GLU 12 2.243 14.086 1.590 83 2HB GLU 12 2HB GLU 12 2.875 12.646 0.815 84 1HG GLU 12 1HG GLU 12 0.886 11.353 1.472 85 2HG GLU 12 2HG GLU 12 0.279 12.693 2.424 86 HE2 GLU 12 HE2 GLU 12 0.870 11.740 -0.905 87 H TYR 13 HN TYR 13 4.020 10.384 3.617 88 HA TYR 13 HA TYR 13 6.749 11.308 2.907 89 1HB TYR 13 1HB TYR 13 6.369 10.474 5.195 90 2HB TYR 13 2HB TYR 13 5.781 8.937 4.539 91 HD1 TYR 13 HD1 TYR 13 7.265 7.166 4.332 92 HD2 TYR 13 HD2 TYR 13 8.790 11.182 4.384 93 HE1 TYR 13 HE1 TYR 13 9.584 6.286 4.312 94 HE2 TYR 13 HE2 TYR 13 11.109 10.301 4.364 95 HH TYR 13 HH TYR 13 11.825 6.834 4.598 96 H ASP 14 HN ASP 14 8.203 9.739 1.739 97 HA ASP 14 HA ASP 14 6.629 7.874 0.157 98 1HB ASP 14 1HB ASP 14 7.345 10.151 -0.981 99 2HB ASP 14 2HB ASP 14 8.946 9.439 -1.026 100 HD2 ASP 14 HD2 ASP 14 6.469 9.936 -2.894 101 HA PRO 15 HA PRO 15 9.801 5.486 2.477 102 1HB PRO 15 1HB PRO 15 8.527 3.579 0.459 103 2HB PRO 15 2HB PRO 15 9.055 3.293 2.149 104 1HG PRO 15 1HG PRO 15 6.498 3.868 1.550 105 2HG PRO 15 2HG PRO 15 7.102 4.496 3.119 106 1HD PRO 15 HD2 PRO 15 6.429 5.940 0.599 107 2HD PRO 15 HD3 PRO 15 6.702 6.603 2.239 108 H ALA 16 HN ALA 16 11.829 6.241 1.719 109 HA ALA 16 HA ALA 16 13.255 4.860 -0.076 110 1HB ALA 16 1HB ALA 16 12.332 5.256 -2.096 111 2HB ALA 16 2HB ALA 16 11.307 6.562 -1.456 112 3HB ALA 16 3HB ALA 16 12.981 6.907 -1.949 113 H PHE 17 HN PHE 17 14.287 5.672 2.038 114 HA PHE 17 HA PHE 17 15.767 8.102 1.372 115 1HB PHE 17 1HB PHE 17 14.195 7.331 3.878 116 2HB PHE 17 2HB PHE 17 15.577 8.397 4.034 117 HD1 PHE 17 HD1 PHE 17 15.211 10.671 3.916 118 HD2 PHE 17 HD2 PHE 17 12.462 8.069 1.998 119 HE1 PHE 17 HE1 PHE 17 13.763 12.635 3.328 120 HE2 PHE 17 HE2 PHE 17 11.013 10.033 1.409 121 HZ PHE 17 HZ PHE 17 11.681 12.292 2.081 122 H GLU 18 HN GLU 18 17.461 8.252 3.534 123 HA GLU 18 HA GLU 18 18.574 5.573 3.749 124 1HB GLU 18 1HB GLU 18 19.726 6.943 1.930 125 2HB GLU 18 2HB GLU 18 20.253 8.052 3.180 126 1HG GLU 18 1HG GLU 18 20.942 5.514 4.199 127 2HG GLU 18 2HG GLU 18 21.302 5.390 2.488 128 HE2 GLU 18 HE2 GLU 18 23.350 6.076 2.093 129 H ASP 19 HN ASP 19 19.005 5.042 5.853 130 HA ASP 19 HA ASP 19 19.693 5.278 7.927 131 1HB ASP 19 1HB ASP 19 20.813 7.545 6.914 132 2HB ASP 19 2HB ASP 19 19.626 8.282 7.972 133 HD2 ASP 19 HD2 ASP 19 22.993 6.870 8.700 134 H LEU 20 HN LEU 20 17.597 4.554 8.648 135 HA LEU 20 HA LEU 20 15.758 6.727 9.377 136 1HB LEU 20 1HB LEU 20 15.020 5.245 7.482 137 2HB LEU 20 2HB LEU 20 14.989 3.910 8.616 138 HG LEU 20 HG LEU 20 13.459 6.291 9.472 139 1HD1 LEU 20 1HD1 LEU 20 13.006 6.387 7.078 140 2HD1 LEU 20 2HD1 LEU 20 12.542 4.669 7.081 141 3HD1 LEU 20 3HD1 LEU 20 11.565 5.857 7.978 142 1HD2 LEU 20 1HD2 LEU 20 12.021 3.784 9.331 143 2HD2 LEU 20 2HD2 LEU 20 13.603 3.572 10.119 144 3HD2 LEU 20 3HD2 LEU 20 12.451 4.776 10.744 145 HA PRO 21 HA PRO 21 17.597 5.070 13.241 146 1HB PRO 21 1HB PRO 21 16.140 7.597 14.064 147 2HB PRO 21 2HB PRO 21 17.767 6.989 14.511 148 1HG PRO 21 1HG PRO 21 17.605 8.957 12.633 149 2HG PRO 21 2HG PRO 21 18.763 7.586 12.637 150 1HD PRO 21 HD2 PRO 21 16.193 7.994 11.043 151 2HD PRO 21 HD3 PRO 21 17.751 7.291 10.511 152 H ASP 22 HN ASP 22 16.402 4.604 15.405 153 HA ASP 22 HA ASP 22 13.789 3.649 14.670 154 1HB ASP 22 1HB ASP 22 14.734 3.196 17.446 155 2HB ASP 22 2HB ASP 22 14.113 2.042 16.282 156 HD2 ASP 22 HD2 ASP 22 17.222 1.304 17.416 157 H ASP 23 HN ASP 23 14.075 6.525 14.943 158 HA ASP 23 HA ASP 23 12.091 6.960 16.918 159 1HB ASP 23 1HB ASP 23 13.614 8.944 17.857 160 2HB ASP 23 2HB ASP 23 13.695 7.337 18.552 161 HD2 ASP 23 HD2 ASP 23 16.690 8.225 16.041 162 H TRP 24 HN TRP 24 11.574 7.318 14.366 163 HA TRP 24 HA TRP 24 12.494 9.901 13.426 164 1HB TRP 24 1HB TRP 24 12.223 7.750 12.030 165 2HB TRP 24 2HB TRP 24 10.508 8.102 12.061 166 HD1 TRP 24 HD1 TRP 24 13.599 10.406 11.326 167 HE1 TRP 24 HE1 TRP 24 13.203 11.789 9.115 168 HE3 TRP 24 HE3 TRP 24 9.034 8.425 10.281 169 HZ2 TRP 24 HZ2 TRP 24 11.072 11.898 7.218 170 HZ3 TRP 24 HZ3 TRP 24 7.863 9.224 8.230 171 HH2 TRP 24 HH2 TRP 24 8.810 10.899 6.723 172 H ALA 25 HN ALA 25 11.170 11.747 13.292 173 HA ALA 25 HA ALA 25 8.456 11.439 14.366 174 1HB ALA 25 1HB ALA 25 8.871 12.841 16.086 175 2HB ALA 25 2HB ALA 25 10.597 12.562 15.751 176 3HB ALA 25 3HB ALA 25 9.772 13.973 15.048 177 H CYS 26 HN CYS 26 6.882 12.628 13.295 178 HA CYS 26 HA CYS 26 7.268 13.330 10.710 179 1HB CYS 26 1HB CYS 26 5.086 13.004 11.831 180 2HB CYS 26 2HB CYS 26 5.262 14.564 12.610 181 HA PRO 27 HA PRO 27 9.650 17.059 10.962 182 1HB PRO 27 1HB PRO 27 9.506 17.808 8.358 183 2HB PRO 27 2HB PRO 27 10.357 16.308 8.850 184 1HG PRO 27 1HG PRO 27 7.324 16.367 7.784 185 2HG PRO 27 2HG PRO 27 8.831 15.530 7.283 186 1HD PRO 27 HD2 PRO 27 7.015 14.501 9.126 187 2HD PRO 27 HD3 PRO 27 8.767 14.141 9.180 188 H VAL 28 HN VAL 28 6.268 16.791 10.724 189 HA VAL 28 HA VAL 28 6.017 19.714 10.539 190 HB VAL 28 HB VAL 28 3.977 17.563 9.932 191 1HG1 VAL 28 1HG1 VAL 28 3.703 20.374 10.494 192 2HG1 VAL 28 2HG1 VAL 28 3.258 20.060 8.800 193 3HG1 VAL 28 3HG1 VAL 28 2.445 19.174 10.113 194 1HG2 VAL 28 1HG2 VAL 28 5.338 17.394 8.093 195 2HG2 VAL 28 2HG2 VAL 28 4.297 18.740 7.570 196 3HG2 VAL 28 3HG2 VAL 28 5.919 19.071 8.225 197 H CYS 29 HN CYS 29 3.497 17.475 11.670 198 HA CYS 29 HA CYS 29 2.843 18.868 13.881 199 1HB CYS 29 1HB CYS 29 1.919 16.730 14.781 200 2HB CYS 29 2HB CYS 29 1.422 17.137 13.151 201 H GLY 30 HN GLY 30 5.323 16.254 13.527 202 1HA GLY 30 HA1 GLY 30 7.374 16.358 14.683 203 2HA GLY 30 HA2 GLY 30 6.606 17.245 15.984 204 H ALA 31 HN ALA 31 4.287 15.021 15.252 205 HA ALA 31 HA ALA 31 4.702 13.505 17.548 206 1HB ALA 31 1HB ALA 31 2.729 13.853 15.539 207 2HB ALA 31 2HB ALA 31 3.099 12.112 15.581 208 3HB ALA 31 3HB ALA 31 2.580 12.948 17.064 209 H SER 32 HN SER 32 4.948 11.048 17.585 210 HA SER 32 HA SER 32 7.363 10.449 16.240 211 1HB SER 32 1HB SER 32 7.125 8.232 17.427 212 2HB SER 32 2HB SER 32 7.060 9.624 18.491 213 HG SER 32 HG SER 32 4.981 9.234 18.963 214 H LYS 33 HN LYS 33 7.481 8.024 15.248 215 HA LYS 33 HA LYS 33 5.628 8.083 13.038 216 1HB LYS 33 1HB LYS 33 7.119 6.613 11.961 217 2HB LYS 33 2HB LYS 33 8.132 7.744 12.833 218 1HG LYS 33 1HG LYS 33 7.514 5.546 14.607 219 2HG LYS 33 2HG LYS 33 8.046 4.875 13.079 220 1HD LYS 33 HD2 LYS 33 10.186 5.775 13.258 221 2HD LYS 33 HD3 LYS 33 9.643 7.181 14.151 222 1HE LYS 33 2HE LYS 33 10.539 6.109 15.966 223 2HE LYS 33 3HE LYS 33 9.044 5.194 15.959 224 1HZ LYS 33 HZ1 LYS 33 10.551 3.852 14.153 225 2HZ LYS 33 HZ2 LYS 33 11.692 4.320 15.217 226 H ASP 34 HN ASP 34 4.098 7.687 15.233 227 HA ASP 34 HA ASP 34 3.706 4.801 15.277 228 1HB ASP 34 1HB ASP 34 4.142 5.871 17.491 229 2HB ASP 34 2HB ASP 34 2.788 6.955 17.240 230 HD2 ASP 34 HD2 ASP 34 0.392 4.951 17.263 231 H ALA 35 HN ALA 35 2.008 8.024 15.381 232 HA ALA 35 HA ALA 35 -0.552 7.059 14.878 233 1HB ALA 35 1HB ALA 35 0.590 9.471 15.485 234 2HB ALA 35 2HB ALA 35 0.156 9.721 13.776 235 3HB ALA 35 3HB ALA 35 -1.097 9.267 14.956 236 H PHE 36 HN PHE 36 2.263 7.456 12.809 237 HA PHE 36 HA PHE 36 0.963 7.750 10.360 238 1HB PHE 36 1HB PHE 36 3.596 6.565 11.377 239 2HB PHE 36 2HB PHE 36 3.233 6.521 9.662 240 HD1 PHE 36 HD1 PHE 36 3.827 8.770 12.528 241 HD2 PHE 36 HD2 PHE 36 3.448 8.468 8.312 242 HE1 PHE 36 HE1 PHE 36 4.721 11.103 12.281 243 HE2 PHE 36 HE2 PHE 36 4.342 10.799 8.065 244 HZ PHE 36 HZ PHE 36 4.967 12.089 10.051 245 H GLU 37 HN GLU 37 0.003 6.327 8.939 246 HA GLU 37 HA GLU 37 0.077 3.529 9.763 247 1HB GLU 37 1HB GLU 37 -2.141 4.494 10.206 248 2HB GLU 37 2HB GLU 37 -2.245 5.102 8.566 249 1HG GLU 37 1HG GLU 37 -3.517 2.957 8.903 250 2HG GLU 37 2HG GLU 37 -2.304 2.844 7.645 251 HE2 GLU 37 HE2 GLU 37 -2.052 -0.078 9.445 252 H LYS 38 HN LYS 38 0.111 1.931 8.050 253 HA LYS 38 HA LYS 38 1.317 2.991 5.636 254 1HB LYS 38 1HB LYS 38 2.125 0.982 7.128 255 2HB LYS 38 2HB LYS 38 0.938 0.067 6.219 256 1HG LYS 38 1HG LYS 38 2.793 1.853 4.656 257 2HG LYS 38 2HG LYS 38 3.479 0.398 5.352 258 1HD LYS 38 HD2 LYS 38 0.870 -0.048 4.002 259 2HD LYS 38 HD3 LYS 38 2.125 0.532 2.926 260 1HE LYS 38 2HE LYS 38 3.016 -1.551 2.859 261 2HE LYS 38 3HE LYS 38 3.361 -1.451 4.574 262 1HZ LYS 38 HZ1 LYS 38 1.450 -3.065 3.342 263 2HZ LYS 38 HZ2 LYS 38 1.735 -2.935 4.939 264 H GLN 39 HN GLN 39 -0.250 3.856 4.311 265 HA GLN 39 HA GLN 39 -2.169 1.918 3.343 266 1HB GLN 39 1HB GLN 39 -2.810 4.407 4.819 267 2HB GLN 39 2HB GLN 39 -3.668 4.253 3.298 268 1HG GLN 39 1HG GLN 39 -3.556 2.033 5.393 269 2HG GLN 39 2HG GLN 39 -4.845 3.218 5.315 270 1HE2 GLN 39 1HE2 GLN 39 -6.517 2.869 4.044 271 2HE2 GLN 39 2HE2 GLN 39 -6.650 1.653 2.818 Start of MODEL 7 1 1H MET 1 HN MET 1 -0.374 -0.215 -0.777 2 HA MET 1 HA MET 1 1.556 0.909 -2.653 3 1HB MET 1 1HB MET 1 -0.686 2.273 -1.076 4 2HB MET 1 2HB MET 1 0.658 3.189 -1.729 5 1HG MET 1 1HG MET 1 -0.949 1.332 -3.521 6 2HG MET 1 2HG MET 1 -1.530 2.947 -3.171 7 1HE MET 1 1HE MET 1 -0.244 3.479 -6.677 8 2HE MET 1 2HE MET 1 -0.252 1.732 -6.338 9 3HE MET 1 3HE MET 1 -1.546 2.770 -5.691 10 H ASP 2 HN ASP 2 3.261 2.241 -1.661 11 HA ASP 2 HA ASP 2 3.605 1.511 1.140 12 1HB ASP 2 1HB ASP 2 6.101 2.004 0.566 13 2HB ASP 2 2HB ASP 2 5.399 0.506 -0.014 14 HD2 ASP 2 HD2 ASP 2 6.931 3.320 -0.967 15 H ILE 3 HN ILE 3 2.482 3.471 1.886 16 HA ILE 3 HA ILE 3 4.144 5.852 1.626 17 HB ILE 3 HB ILE 3 1.289 5.583 0.780 18 1HG1 ILE 3 2HG1 ILE 3 3.344 7.436 -0.384 19 2HG1 ILE 3 3HG1 ILE 3 3.462 5.718 -0.707 20 1HG2 ILE 3 1HG2 ILE 3 2.516 8.174 1.763 21 2HG2 ILE 3 2HG2 ILE 3 0.901 7.955 1.048 22 3HG2 ILE 3 3HG2 ILE 3 1.281 7.226 2.627 23 1HD1 ILE 3 1HD1 ILE 3 1.298 7.658 -1.508 24 2HD1 ILE 3 2HD1 ILE 3 2.092 6.390 -2.471 25 3HD1 ILE 3 3HD1 ILE 3 0.863 5.950 -1.262 26 H TYR 4 HN TYR 4 4.165 7.124 3.426 27 HA TYR 4 HA TYR 4 2.723 6.007 5.786 28 1HB TYR 4 1HB TYR 4 5.474 7.173 5.401 29 2HB TYR 4 2HB TYR 4 4.684 7.258 6.986 30 HD1 TYR 4 HD1 TYR 4 3.682 4.966 7.859 31 HD2 TYR 4 HD2 TYR 4 6.777 5.321 4.902 32 HE1 TYR 4 HE1 TYR 4 4.418 2.648 8.351 33 HE2 TYR 4 HE2 TYR 4 7.513 3.004 5.394 34 HH TYR 4 HH TYR 4 6.019 1.043 7.970 35 H VAL 5 HN VAL 5 0.899 7.505 4.890 36 HA VAL 5 HA VAL 5 1.407 10.308 5.117 37 HB VAL 5 HB VAL 5 -1.098 8.654 4.772 38 1HG1 VAL 5 1HG1 VAL 5 -1.896 10.627 5.771 39 2HG1 VAL 5 2HG1 VAL 5 -0.715 11.648 4.916 40 3HG1 VAL 5 3HG1 VAL 5 -2.070 10.918 4.023 41 1HG2 VAL 5 1HG2 VAL 5 -0.656 10.241 2.514 42 2HG2 VAL 5 2HG2 VAL 5 0.959 9.642 2.963 43 3HG2 VAL 5 3HG2 VAL 5 -0.365 8.491 2.665 44 H CYS 6 HN CYS 6 1.581 11.397 6.998 45 HA CYS 6 HA CYS 6 1.190 10.249 9.459 46 1HB CYS 6 1HB CYS 6 2.506 12.317 8.910 47 2HB CYS 6 2HB CYS 6 0.996 13.201 8.838 48 H THR 7 HN THR 7 -0.517 10.633 11.097 49 HA THR 7 HA THR 7 -3.129 11.131 9.828 50 HB THR 7 HB THR 7 -3.915 9.629 11.778 51 HG1 THR 7 HG1 THR 7 -1.920 9.911 13.016 52 1HG2 THR 7 1HG2 THR 7 -2.107 7.730 10.600 53 2HG2 THR 7 2HG2 THR 7 -3.826 7.971 10.210 54 3HG2 THR 7 3HG2 THR 7 -2.577 8.870 9.317 55 H VAL 8 HN VAL 8 -0.976 12.950 11.215 56 HA VAL 8 HA VAL 8 -2.830 14.055 13.208 57 HB VAL 8 HB VAL 8 0.175 14.247 12.937 58 1HG1 VAL 8 1HG1 VAL 8 -0.171 15.383 15.285 59 2HG1 VAL 8 2HG1 VAL 8 -0.311 16.339 13.791 60 3HG1 VAL 8 3HG1 VAL 8 -1.778 15.780 14.629 61 1HG2 VAL 8 1HG2 VAL 8 -1.537 12.371 14.249 62 2HG2 VAL 8 2HG2 VAL 8 0.241 12.454 14.257 63 3HG2 VAL 8 3HG2 VAL 8 -0.697 13.324 15.495 64 H CYS 9 HN CYS 9 -0.391 14.954 10.669 65 HA CYS 9 HA CYS 9 -1.920 17.423 10.311 66 1HB CYS 9 1HB CYS 9 0.268 18.035 8.996 67 2HB CYS 9 2HB CYS 9 0.162 18.212 10.736 68 H GLY 10 HN GLY 10 -1.026 14.319 9.004 69 1HA GLY 10 HA1 GLY 10 -2.060 13.340 7.181 70 2HA GLY 10 HA2 GLY 10 -2.490 14.918 6.549 71 H TYR 11 HN TYR 11 0.703 14.848 7.706 72 HA TYR 11 HA TYR 11 2.025 15.579 5.445 73 1HB TYR 11 1HB TYR 11 2.980 15.335 7.739 74 2HB TYR 11 2HB TYR 11 3.071 13.584 7.481 75 HD1 TYR 11 HD1 TYR 11 5.369 13.125 7.472 76 HD2 TYR 11 HD2 TYR 11 3.844 16.352 5.081 77 HE1 TYR 11 HE1 TYR 11 7.596 13.395 6.416 78 HE2 TYR 11 HE2 TYR 11 6.071 16.622 4.025 79 HH TYR 11 HH TYR 11 8.243 14.812 3.683 80 H GLU 12 HN GLU 12 3.364 14.428 3.803 81 HA GLU 12 HA GLU 12 2.369 11.722 3.378 82 1HB GLU 12 1HB GLU 12 2.243 14.086 1.590 83 2HB GLU 12 2HB GLU 12 2.875 12.646 0.815 84 1HG GLU 12 1HG GLU 12 0.886 11.353 1.472 85 2HG GLU 12 2HG GLU 12 0.279 12.693 2.424 86 HE2 GLU 12 HE2 GLU 12 0.870 11.740 -0.905 87 H TYR 13 HN TYR 13 4.020 10.384 3.617 88 HA TYR 13 HA TYR 13 6.749 11.308 2.907 89 1HB TYR 13 1HB TYR 13 6.369 10.474 5.195 90 2HB TYR 13 2HB TYR 13 5.781 8.937 4.539 91 HD1 TYR 13 HD1 TYR 13 7.265 7.166 4.332 92 HD2 TYR 13 HD2 TYR 13 8.790 11.182 4.384 93 HE1 TYR 13 HE1 TYR 13 9.584 6.286 4.312 94 HE2 TYR 13 HE2 TYR 13 11.109 10.301 4.364 95 HH TYR 13 HH TYR 13 11.825 6.834 4.598 96 H ASP 14 HN ASP 14 8.203 9.739 1.739 97 HA ASP 14 HA ASP 14 6.629 7.874 0.157 98 1HB ASP 14 1HB ASP 14 7.345 10.151 -0.981 99 2HB ASP 14 2HB ASP 14 8.946 9.439 -1.026 100 HD2 ASP 14 HD2 ASP 14 6.469 9.936 -2.894 101 HA PRO 15 HA PRO 15 9.801 5.486 2.477 102 1HB PRO 15 1HB PRO 15 8.527 3.579 0.459 103 2HB PRO 15 2HB PRO 15 9.055 3.293 2.149 104 1HG PRO 15 1HG PRO 15 6.498 3.868 1.550 105 2HG PRO 15 2HG PRO 15 7.102 4.496 3.119 106 1HD PRO 15 HD2 PRO 15 6.429 5.940 0.599 107 2HD PRO 15 HD3 PRO 15 6.702 6.603 2.239 108 H ALA 16 HN ALA 16 11.829 6.241 1.719 109 HA ALA 16 HA ALA 16 13.255 4.860 -0.076 110 1HB ALA 16 1HB ALA 16 12.332 5.256 -2.096 111 2HB ALA 16 2HB ALA 16 11.307 6.562 -1.456 112 3HB ALA 16 3HB ALA 16 12.981 6.907 -1.949 113 H PHE 17 HN PHE 17 14.287 5.672 2.038 114 HA PHE 17 HA PHE 17 15.767 8.102 1.372 115 1HB PHE 17 1HB PHE 17 14.195 7.331 3.878 116 2HB PHE 17 2HB PHE 17 15.577 8.397 4.034 117 HD1 PHE 17 HD1 PHE 17 15.211 10.671 3.916 118 HD2 PHE 17 HD2 PHE 17 12.462 8.069 1.998 119 HE1 PHE 17 HE1 PHE 17 13.763 12.635 3.328 120 HE2 PHE 17 HE2 PHE 17 11.013 10.033 1.409 121 HZ PHE 17 HZ PHE 17 11.681 12.292 2.081 122 H GLU 18 HN GLU 18 17.461 8.252 3.534 123 HA GLU 18 HA GLU 18 18.574 5.573 3.749 124 1HB GLU 18 1HB GLU 18 19.726 6.943 1.930 125 2HB GLU 18 2HB GLU 18 20.253 8.052 3.180 126 1HG GLU 18 1HG GLU 18 20.942 5.514 4.199 127 2HG GLU 18 2HG GLU 18 21.302 5.390 2.488 128 HE2 GLU 18 HE2 GLU 18 23.350 6.076 2.093 129 H ASP 19 HN ASP 19 19.005 5.042 5.853 130 HA ASP 19 HA ASP 19 19.693 5.278 7.927 131 1HB ASP 19 1HB ASP 19 20.813 7.545 6.914 132 2HB ASP 19 2HB ASP 19 19.626 8.282 7.972 133 HD2 ASP 19 HD2 ASP 19 22.993 6.870 8.700 134 H LEU 20 HN LEU 20 17.597 4.554 8.648 135 HA LEU 20 HA LEU 20 15.758 6.727 9.377 136 1HB LEU 20 1HB LEU 20 15.020 5.245 7.482 137 2HB LEU 20 2HB LEU 20 14.989 3.910 8.616 138 HG LEU 20 HG LEU 20 13.459 6.291 9.472 139 1HD1 LEU 20 1HD1 LEU 20 13.006 6.387 7.078 140 2HD1 LEU 20 2HD1 LEU 20 12.542 4.669 7.081 141 3HD1 LEU 20 3HD1 LEU 20 11.565 5.857 7.978 142 1HD2 LEU 20 1HD2 LEU 20 12.021 3.784 9.331 143 2HD2 LEU 20 2HD2 LEU 20 13.603 3.572 10.119 144 3HD2 LEU 20 3HD2 LEU 20 12.451 4.776 10.744 145 HA PRO 21 HA PRO 21 17.597 5.070 13.241 146 1HB PRO 21 1HB PRO 21 16.140 7.597 14.064 147 2HB PRO 21 2HB PRO 21 17.767 6.989 14.511 148 1HG PRO 21 1HG PRO 21 17.605 8.957 12.633 149 2HG PRO 21 2HG PRO 21 18.763 7.586 12.637 150 1HD PRO 21 HD2 PRO 21 16.193 7.994 11.043 151 2HD PRO 21 HD3 PRO 21 17.751 7.291 10.511 152 H ASP 22 HN ASP 22 16.402 4.604 15.405 153 HA ASP 22 HA ASP 22 13.789 3.649 14.670 154 1HB ASP 22 1HB ASP 22 14.734 3.196 17.446 155 2HB ASP 22 2HB ASP 22 14.113 2.042 16.282 156 HD2 ASP 22 HD2 ASP 22 17.222 1.304 17.416 157 H ASP 23 HN ASP 23 14.075 6.525 14.943 158 HA ASP 23 HA ASP 23 12.091 6.960 16.918 159 1HB ASP 23 1HB ASP 23 13.614 8.944 17.857 160 2HB ASP 23 2HB ASP 23 13.695 7.337 18.552 161 HD2 ASP 23 HD2 ASP 23 16.690 8.225 16.041 162 H TRP 24 HN TRP 24 11.574 7.318 14.366 163 HA TRP 24 HA TRP 24 12.494 9.901 13.426 164 1HB TRP 24 1HB TRP 24 12.223 7.750 12.030 165 2HB TRP 24 2HB TRP 24 10.508 8.102 12.061 166 HD1 TRP 24 HD1 TRP 24 13.599 10.406 11.326 167 HE1 TRP 24 HE1 TRP 24 13.203 11.789 9.115 168 HE3 TRP 24 HE3 TRP 24 9.034 8.425 10.281 169 HZ2 TRP 24 HZ2 TRP 24 11.072 11.898 7.218 170 HZ3 TRP 24 HZ3 TRP 24 7.863 9.224 8.230 171 HH2 TRP 24 HH2 TRP 24 8.810 10.899 6.723 172 H ALA 25 HN ALA 25 11.170 11.747 13.292 173 HA ALA 25 HA ALA 25 8.456 11.439 14.366 174 1HB ALA 25 1HB ALA 25 8.871 12.841 16.086 175 2HB ALA 25 2HB ALA 25 10.597 12.562 15.751 176 3HB ALA 25 3HB ALA 25 9.772 13.973 15.048 177 H CYS 26 HN CYS 26 6.882 12.628 13.295 178 HA CYS 26 HA CYS 26 7.268 13.330 10.710 179 1HB CYS 26 1HB CYS 26 5.086 13.004 11.831 180 2HB CYS 26 2HB CYS 26 5.262 14.564 12.610 181 HA PRO 27 HA PRO 27 9.650 17.059 10.962 182 1HB PRO 27 1HB PRO 27 9.506 17.808 8.358 183 2HB PRO 27 2HB PRO 27 10.357 16.308 8.850 184 1HG PRO 27 1HG PRO 27 7.324 16.367 7.784 185 2HG PRO 27 2HG PRO 27 8.831 15.530 7.283 186 1HD PRO 27 HD2 PRO 27 7.015 14.501 9.126 187 2HD PRO 27 HD3 PRO 27 8.767 14.141 9.180 188 H VAL 28 HN VAL 28 6.268 16.791 10.724 189 HA VAL 28 HA VAL 28 6.017 19.714 10.539 190 HB VAL 28 HB VAL 28 3.977 17.563 9.932 191 1HG1 VAL 28 1HG1 VAL 28 3.703 20.374 10.494 192 2HG1 VAL 28 2HG1 VAL 28 3.258 20.060 8.800 193 3HG1 VAL 28 3HG1 VAL 28 2.445 19.174 10.113 194 1HG2 VAL 28 1HG2 VAL 28 5.338 17.394 8.093 195 2HG2 VAL 28 2HG2 VAL 28 4.297 18.740 7.570 196 3HG2 VAL 28 3HG2 VAL 28 5.919 19.071 8.225 197 H CYS 29 HN CYS 29 3.497 17.475 11.670 198 HA CYS 29 HA CYS 29 2.843 18.868 13.881 199 1HB CYS 29 1HB CYS 29 1.919 16.730 14.781 200 2HB CYS 29 2HB CYS 29 1.422 17.137 13.151 201 H GLY 30 HN GLY 30 5.323 16.254 13.527 202 1HA GLY 30 HA1 GLY 30 7.374 16.358 14.683 203 2HA GLY 30 HA2 GLY 30 6.606 17.245 15.984 204 H ALA 31 HN ALA 31 4.287 15.021 15.252 205 HA ALA 31 HA ALA 31 4.702 13.505 17.548 206 1HB ALA 31 1HB ALA 31 2.729 13.853 15.539 207 2HB ALA 31 2HB ALA 31 3.099 12.112 15.581 208 3HB ALA 31 3HB ALA 31 2.580 12.948 17.064 209 H SER 32 HN SER 32 4.948 11.048 17.585 210 HA SER 32 HA SER 32 7.363 10.449 16.240 211 1HB SER 32 1HB SER 32 7.125 8.232 17.427 212 2HB SER 32 2HB SER 32 7.060 9.624 18.491 213 HG SER 32 HG SER 32 4.981 9.234 18.963 214 H LYS 33 HN LYS 33 7.481 8.024 15.248 215 HA LYS 33 HA LYS 33 5.628 8.083 13.038 216 1HB LYS 33 1HB LYS 33 7.119 6.613 11.961 217 2HB LYS 33 2HB LYS 33 8.132 7.744 12.833 218 1HG LYS 33 1HG LYS 33 7.514 5.546 14.607 219 2HG LYS 33 2HG LYS 33 8.046 4.875 13.079 220 1HD LYS 33 HD2 LYS 33 10.186 5.775 13.258 221 2HD LYS 33 HD3 LYS 33 9.643 7.181 14.151 222 1HE LYS 33 2HE LYS 33 10.539 6.109 15.966 223 2HE LYS 33 3HE LYS 33 9.044 5.194 15.959 224 1HZ LYS 33 HZ1 LYS 33 10.551 3.852 14.153 225 2HZ LYS 33 HZ2 LYS 33 11.692 4.320 15.217 226 H ASP 34 HN ASP 34 4.098 7.687 15.233 227 HA ASP 34 HA ASP 34 3.706 4.801 15.277 228 1HB ASP 34 1HB ASP 34 4.142 5.871 17.491 229 2HB ASP 34 2HB ASP 34 2.788 6.955 17.240 230 HD2 ASP 34 HD2 ASP 34 0.392 4.951 17.263 231 H ALA 35 HN ALA 35 2.008 8.024 15.381 232 HA ALA 35 HA ALA 35 -0.552 7.059 14.878 233 1HB ALA 35 1HB ALA 35 0.590 9.471 15.485 234 2HB ALA 35 2HB ALA 35 0.156 9.721 13.776 235 3HB ALA 35 3HB ALA 35 -1.097 9.267 14.956 236 H PHE 36 HN PHE 36 2.263 7.456 12.809 237 HA PHE 36 HA PHE 36 0.963 7.750 10.360 238 1HB PHE 36 1HB PHE 36 3.596 6.565 11.377 239 2HB PHE 36 2HB PHE 36 3.233 6.521 9.662 240 HD1 PHE 36 HD1 PHE 36 3.827 8.770 12.528 241 HD2 PHE 36 HD2 PHE 36 3.448 8.468 8.312 242 HE1 PHE 36 HE1 PHE 36 4.721 11.103 12.281 243 HE2 PHE 36 HE2 PHE 36 4.342 10.799 8.065 244 HZ PHE 36 HZ PHE 36 4.967 12.089 10.051 245 H GLU 37 HN GLU 37 0.003 6.327 8.939 246 HA GLU 37 HA GLU 37 0.077 3.529 9.763 247 1HB GLU 37 1HB GLU 37 -2.141 4.494 10.206 248 2HB GLU 37 2HB GLU 37 -2.245 5.102 8.566 249 1HG GLU 37 1HG GLU 37 -3.517 2.957 8.903 250 2HG GLU 37 2HG GLU 37 -2.304 2.844 7.645 251 HE2 GLU 37 HE2 GLU 37 -2.052 -0.078 9.445 252 H LYS 38 HN LYS 38 0.111 1.931 8.050 253 HA LYS 38 HA LYS 38 1.317 2.991 5.636 254 1HB LYS 38 1HB LYS 38 2.125 0.982 7.128 255 2HB LYS 38 2HB LYS 38 0.938 0.067 6.219 256 1HG LYS 38 1HG LYS 38 2.793 1.853 4.656 257 2HG LYS 38 2HG LYS 38 3.479 0.398 5.352 258 1HD LYS 38 HD2 LYS 38 0.870 -0.048 4.002 259 2HD LYS 38 HD3 LYS 38 2.125 0.532 2.926 260 1HE LYS 38 2HE LYS 38 3.016 -1.551 2.859 261 2HE LYS 38 3HE LYS 38 3.361 -1.451 4.574 262 1HZ LYS 38 HZ1 LYS 38 1.450 -3.065 3.342 263 2HZ LYS 38 HZ2 LYS 38 1.735 -2.935 4.939 264 H GLN 39 HN GLN 39 -0.250 3.856 4.311 265 HA GLN 39 HA GLN 39 -2.169 1.918 3.343 266 1HB GLN 39 1HB GLN 39 -2.810 4.407 4.819 267 2HB GLN 39 2HB GLN 39 -3.668 4.253 3.298 268 1HG GLN 39 1HG GLN 39 -3.556 2.033 5.393 269 2HG GLN 39 2HG GLN 39 -4.845 3.218 5.315 270 1HE2 GLN 39 1HE2 GLN 39 -6.517 2.869 4.044 271 2HE2 GLN 39 2HE2 GLN 39 -6.650 1.653 2.818 Start of MODEL 8 1 1H MET 1 HN MET 1 7.933 1.482 -2.758 2 HA MET 1 HA MET 1 5.834 1.265 -3.440 3 1HB MET 1 1HB MET 1 6.601 -1.618 -3.243 4 2HB MET 1 2HB MET 1 4.897 -1.323 -2.959 5 1HG MET 1 1HG MET 1 4.841 0.022 -5.128 6 2HG MET 1 2HG MET 1 6.493 -0.482 -5.425 7 1HE MET 1 1HE MET 1 3.210 -3.119 -4.226 8 2HE MET 1 2HE MET 1 3.102 -1.361 -4.484 9 3HE MET 1 3HE MET 1 2.602 -2.482 -5.772 10 H ASP 2 HN ASP 2 5.493 2.615 -1.540 11 HA ASP 2 HA ASP 2 3.582 1.605 0.158 12 1HB ASP 2 1HB ASP 2 4.921 1.815 2.342 13 2HB ASP 2 2HB ASP 2 5.215 0.374 1.389 14 HD2 ASP 2 HD2 ASP 2 6.612 3.230 2.562 15 H ILE 3 HN ILE 3 3.076 3.332 1.945 16 HA ILE 3 HA ILE 3 4.403 5.872 1.514 17 HB ILE 3 HB ILE 3 1.531 5.334 0.803 18 1HG1 ILE 3 2HG1 ILE 3 3.744 6.804 -0.660 19 2HG1 ILE 3 3HG1 ILE 3 3.280 5.141 -0.956 20 1HG2 ILE 3 1HG2 ILE 3 2.701 7.754 2.023 21 2HG2 ILE 3 2HG2 ILE 3 1.750 8.029 0.544 22 3HG2 ILE 3 3HG2 ILE 3 1.011 7.202 1.936 23 1HD1 ILE 3 1HD1 ILE 3 1.824 7.673 -1.631 24 2HD1 ILE 3 2HD1 ILE 3 1.941 6.150 -2.546 25 3HD1 ILE 3 3HD1 ILE 3 0.828 6.274 -1.162 26 H TYR 4 HN TYR 4 4.238 7.237 3.252 27 HA TYR 4 HA TYR 4 2.777 6.159 5.616 28 1HB TYR 4 1HB TYR 4 5.598 7.222 5.367 29 2HB TYR 4 2HB TYR 4 4.738 7.203 6.916 30 HD1 TYR 4 HD1 TYR 4 4.156 5.079 8.009 31 HD2 TYR 4 HD2 TYR 4 6.391 5.179 4.341 32 HE1 TYR 4 HE1 TYR 4 4.828 2.716 8.353 33 HE2 TYR 4 HE2 TYR 4 7.062 2.817 4.686 34 HH TYR 4 HH TYR 4 5.818 0.864 7.385 35 H VAL 5 HN VAL 5 0.995 7.662 5.104 36 HA VAL 5 HA VAL 5 1.751 10.476 5.226 37 HB VAL 5 HB VAL 5 -0.760 8.991 4.462 38 1HG1 VAL 5 1HG1 VAL 5 -0.408 12.003 4.625 39 2HG1 VAL 5 2HG1 VAL 5 -1.847 11.128 4.047 40 3HG1 VAL 5 3HG1 VAL 5 -1.364 11.017 5.756 41 1HG2 VAL 5 1HG2 VAL 5 1.113 10.818 2.920 42 2HG2 VAL 5 2HG2 VAL 5 0.973 9.052 2.752 43 3HG2 VAL 5 3HG2 VAL 5 -0.385 10.101 2.280 44 H CYS 6 HN CYS 6 1.728 11.526 7.140 45 HA CYS 6 HA CYS 6 1.034 10.326 9.504 46 1HB CYS 6 1HB CYS 6 2.440 12.404 9.104 47 2HB CYS 6 2HB CYS 6 0.939 13.304 9.013 48 H THR 7 HN THR 7 -0.841 10.597 10.921 49 HA THR 7 HA THR 7 -3.278 11.282 9.416 50 HB THR 7 HB THR 7 -4.342 9.669 11.082 51 HG1 THR 7 HG1 THR 7 -2.575 9.925 12.660 52 1HG2 THR 7 1HG2 THR 7 -2.947 9.011 8.781 53 2HG2 THR 7 2HG2 THR 7 -2.083 8.048 10.002 54 3HG2 THR 7 3HG2 THR 7 -3.835 7.833 9.776 55 H VAL 8 HN VAL 8 -1.289 13.003 11.064 56 HA VAL 8 HA VAL 8 -3.312 14.018 12.939 57 HB VAL 8 HB VAL 8 -0.324 13.827 13.042 58 1HG1 VAL 8 1HG1 VAL 8 -1.979 16.083 14.031 59 2HG1 VAL 8 2HG1 VAL 8 -0.820 15.399 15.196 60 3HG1 VAL 8 3HG1 VAL 8 -0.248 16.016 13.627 61 1HG2 VAL 8 1HG2 VAL 8 -1.209 12.103 14.281 62 2HG2 VAL 8 2HG2 VAL 8 -1.096 13.363 15.532 63 3HG2 VAL 8 3HG2 VAL 8 -2.657 13.027 14.746 64 H CYS 9 HN CYS 9 -0.617 14.952 10.694 65 HA CYS 9 HA CYS 9 -1.995 17.513 10.365 66 1HB CYS 9 1HB CYS 9 0.258 18.189 9.333 67 2HB CYS 9 2HB CYS 9 0.125 18.059 11.076 68 H GLY 10 HN GLY 10 -1.126 14.448 8.942 69 1HA GLY 10 HA1 GLY 10 -1.982 13.596 6.986 70 2HA GLY 10 HA2 GLY 10 -2.425 15.205 6.453 71 H TYR 11 HN TYR 11 0.746 14.806 7.785 72 HA TYR 11 HA TYR 11 2.132 15.808 5.579 73 1HB TYR 11 1HB TYR 11 2.973 15.580 7.921 74 2HB TYR 11 2HB TYR 11 3.150 13.838 7.653 75 HD1 TYR 11 HD1 TYR 11 5.471 13.504 7.797 76 HD2 TYR 11 HD2 TYR 11 3.924 16.629 5.288 77 HE1 TYR 11 HE1 TYR 11 7.738 13.877 6.864 78 HE2 TYR 11 HE2 TYR 11 6.191 17.002 4.355 79 HH TYR 11 HH TYR 11 9.058 15.499 5.671 80 H GLU 12 HN GLU 12 3.558 14.752 3.970 81 HA GLU 12 HA GLU 12 2.612 12.047 3.416 82 1HB GLU 12 1HB GLU 12 2.771 14.451 1.716 83 2HB GLU 12 2HB GLU 12 3.556 13.065 0.986 84 1HG GLU 12 1HG GLU 12 0.836 12.674 2.244 85 2HG GLU 12 2HG GLU 12 0.926 13.484 0.693 86 HE2 GLU 12 HE2 GLU 12 0.442 10.152 -0.102 87 H TYR 13 HN TYR 13 4.107 10.493 3.141 88 HA TYR 13 HA TYR 13 6.968 11.340 3.119 89 1HB TYR 13 1HB TYR 13 6.381 10.358 5.250 90 2HB TYR 13 2HB TYR 13 5.601 8.982 4.452 91 HD1 TYR 13 HD1 TYR 13 6.840 7.070 3.817 92 HD2 TYR 13 HD2 TYR 13 8.890 10.649 5.016 93 HE1 TYR 13 HE1 TYR 13 8.984 5.825 3.864 94 HE2 TYR 13 HE2 TYR 13 11.034 9.405 5.063 95 HH TYR 13 HH TYR 13 12.032 7.332 4.933 96 H ASP 14 HN ASP 14 8.459 9.556 2.149 97 HA ASP 14 HA ASP 14 7.004 8.036 0.156 98 1HB ASP 14 1HB ASP 14 8.034 10.346 -0.658 99 2HB ASP 14 2HB ASP 14 9.560 9.486 -0.592 100 HD2 ASP 14 HD2 ASP 14 6.796 8.129 -3.149 101 HA PRO 15 HA PRO 15 9.953 5.001 1.530 102 1HB PRO 15 1HB PRO 15 9.610 3.157 -0.470 103 2HB PRO 15 2HB PRO 15 8.343 3.504 0.750 104 1HG PRO 15 1HG PRO 15 8.232 4.654 -2.252 105 2HG PRO 15 2HG PRO 15 7.354 3.767 -0.964 106 1HD PRO 15 HD2 PRO 15 7.540 6.630 -1.354 107 2HD PRO 15 HD3 PRO 15 6.823 5.779 0.048 108 H ALA 16 HN ALA 16 11.980 6.170 1.297 109 HA ALA 16 HA ALA 16 13.786 5.183 -0.457 110 1HB ALA 16 1HB ALA 16 11.972 6.972 -1.814 111 2HB ALA 16 2HB ALA 16 13.600 7.692 -1.788 112 3HB ALA 16 3HB ALA 16 13.355 6.067 -2.475 113 H PHE 17 HN PHE 17 14.420 5.504 1.918 114 HA PHE 17 HA PHE 17 15.860 8.039 2.075 115 1HB PHE 17 1HB PHE 17 13.752 6.844 3.877 116 2HB PHE 17 2HB PHE 17 15.146 7.509 4.706 117 HD1 PHE 17 HD1 PHE 17 14.976 9.695 5.396 118 HD2 PHE 17 HD2 PHE 17 12.831 8.496 1.937 119 HE1 PHE 17 HE1 PHE 17 13.987 11.994 5.213 120 HE2 PHE 17 HE2 PHE 17 11.841 10.795 1.754 121 HZ PHE 17 HZ PHE 17 12.430 12.517 3.394 122 H GLU 18 HN GLU 18 17.563 7.940 3.898 123 HA GLU 18 HA GLU 18 19.017 5.553 3.499 124 1HB GLU 18 1HB GLU 18 20.615 6.711 5.183 125 2HB GLU 18 2HB GLU 18 20.342 7.503 3.643 126 1HG GLU 18 1HG GLU 18 18.924 9.154 4.589 127 2HG GLU 18 2HG GLU 18 18.560 8.181 5.999 128 HE2 GLU 18 HE2 GLU 18 19.533 10.761 5.993 129 H ASP 19 HN ASP 19 17.196 4.147 4.423 130 HA ASP 19 HA ASP 19 16.488 2.796 5.963 131 1HB ASP 19 1HB ASP 19 19.139 3.613 6.993 132 2HB ASP 19 2HB ASP 19 18.052 3.101 8.269 133 HD2 ASP 19 HD2 ASP 19 19.293 1.943 5.192 134 H LEU 20 HN LEU 20 15.593 2.754 8.384 135 HA LEU 20 HA LEU 20 14.729 5.484 9.036 136 1HB LEU 20 1HB LEU 20 13.238 3.193 8.407 137 2HB LEU 20 2HB LEU 20 13.081 3.383 10.143 138 HG LEU 20 HG LEU 20 12.101 5.532 9.940 139 1HD1 LEU 20 1HD1 LEU 20 11.778 6.432 7.476 140 2HD1 LEU 20 2HD1 LEU 20 13.253 6.782 8.409 141 3HD1 LEU 20 3HD1 LEU 20 13.261 5.491 7.185 142 1HD2 LEU 20 1HD2 LEU 20 10.904 3.957 7.653 143 2HD2 LEU 20 2HD2 LEU 20 10.686 3.523 9.365 144 3HD2 LEU 20 3HD2 LEU 20 10.091 5.088 8.760 145 HA PRO 21 HA PRO 21 16.792 4.919 12.873 146 1HB PRO 21 1HB PRO 21 15.988 7.170 14.123 147 2HB PRO 21 2HB PRO 21 16.957 7.261 12.617 148 1HG PRO 21 1HG PRO 21 13.823 7.532 12.798 149 2HG PRO 21 2HG PRO 21 15.125 8.508 12.040 150 1HD PRO 21 HD2 PRO 21 13.639 6.455 10.776 151 2HD PRO 21 HD3 PRO 21 15.243 7.037 10.236 152 H ASP 22 HN ASP 22 16.128 5.031 15.372 153 HA ASP 22 HA ASP 22 13.629 3.573 15.500 154 1HB ASP 22 1HB ASP 22 14.555 3.147 17.930 155 2HB ASP 22 2HB ASP 22 15.270 2.294 16.576 156 HD2 ASP 22 HD2 ASP 22 18.227 3.010 17.464 157 H ASP 23 HN ASP 23 13.145 6.257 15.128 158 HA ASP 23 HA ASP 23 11.547 7.010 17.106 159 1HB ASP 23 1HB ASP 23 14.382 7.642 17.769 160 2HB ASP 23 2HB ASP 23 13.294 9.006 17.924 161 HD2 ASP 23 HD2 ASP 23 12.795 8.699 20.681 162 H TRP 24 HN TRP 24 10.823 7.522 14.796 163 HA TRP 24 HA TRP 24 12.008 9.998 13.772 164 1HB TRP 24 1HB TRP 24 11.788 7.842 12.371 165 2HB TRP 24 2HB TRP 24 10.079 8.224 12.297 166 HD1 TRP 24 HD1 TRP 24 13.292 10.399 11.694 167 HE1 TRP 24 HE1 TRP 24 13.040 11.804 9.475 168 HE3 TRP 24 HE3 TRP 24 8.664 8.664 10.498 169 HZ2 TRP 24 HZ2 TRP 24 10.981 12.029 7.513 170 HZ3 TRP 24 HZ3 TRP 24 7.603 9.527 8.414 171 HH2 TRP 24 HH2 TRP 24 8.685 11.153 6.943 172 H ALA 25 HN ALA 25 10.800 11.885 13.779 173 HA ALA 25 HA ALA 25 7.990 11.610 14.599 174 1HB ALA 25 1HB ALA 25 8.302 13.670 15.935 175 2HB ALA 25 2HB ALA 25 9.377 12.364 16.490 176 3HB ALA 25 3HB ALA 25 10.027 13.690 15.495 177 H CYS 26 HN CYS 26 6.509 12.914 13.502 178 HA CYS 26 HA CYS 26 7.113 13.665 10.944 179 1HB CYS 26 1HB CYS 26 4.842 13.350 12.204 180 2HB CYS 26 2HB CYS 26 4.958 15.075 12.484 181 HA PRO 27 HA PRO 27 9.425 17.397 11.561 182 1HB PRO 27 1HB PRO 27 9.489 18.240 8.971 183 2HB PRO 27 2HB PRO 27 10.346 16.758 9.504 184 1HG PRO 27 1HG PRO 27 7.487 16.790 8.127 185 2HG PRO 27 2HG PRO 27 9.047 15.969 7.798 186 1HD PRO 27 HD2 PRO 27 7.012 14.900 9.379 187 2HD PRO 27 HD3 PRO 27 8.744 14.519 9.620 188 H VAL 28 HN VAL 28 6.081 17.107 10.958 189 HA VAL 28 HA VAL 28 5.800 20.026 10.795 190 HB VAL 28 HB VAL 28 3.850 17.813 10.121 191 1HG1 VAL 28 1HG1 VAL 28 3.463 20.637 10.650 192 2HG1 VAL 28 2HG1 VAL 28 3.020 20.243 8.972 193 3HG1 VAL 28 3HG1 VAL 28 2.260 19.367 10.323 194 1HG2 VAL 28 1HG2 VAL 28 4.494 17.921 7.958 195 2HG2 VAL 28 2HG2 VAL 28 4.764 19.680 8.016 196 3HG2 VAL 28 3HG2 VAL 28 6.008 18.567 8.633 197 H CYS 29 HN CYS 29 3.327 17.692 11.886 198 HA CYS 29 HA CYS 29 2.558 19.144 14.049 199 1HB CYS 29 1HB CYS 29 1.577 17.031 14.917 200 2HB CYS 29 2HB CYS 29 1.172 17.400 13.252 201 H GLY 30 HN GLY 30 4.932 16.398 13.883 202 1HA GLY 30 HA1 GLY 30 6.983 16.557 15.095 203 2HA GLY 30 HA2 GLY 30 6.150 17.430 16.366 204 H ALA 31 HN ALA 31 3.811 15.306 15.650 205 HA ALA 31 HA ALA 31 4.185 13.726 17.893 206 1HB ALA 31 1HB ALA 31 2.548 13.142 15.393 207 2HB ALA 31 2HB ALA 31 2.296 12.440 17.010 208 3HB ALA 31 3HB ALA 31 2.026 14.179 16.742 209 H SER 32 HN SER 32 4.388 11.268 17.904 210 HA SER 32 HA SER 32 6.808 10.632 16.609 211 1HB SER 32 1HB SER 32 6.567 8.449 17.752 212 2HB SER 32 2HB SER 32 6.273 9.779 18.855 213 HG SER 32 HG SER 32 3.884 9.397 18.119 214 H LYS 33 HN LYS 33 6.931 8.284 15.498 215 HA LYS 33 HA LYS 33 5.107 8.447 13.262 216 1HB LYS 33 1HB LYS 33 6.613 6.841 12.214 217 2HB LYS 33 2HB LYS 33 7.501 8.211 12.850 218 1HG LYS 33 1HG LYS 33 8.806 6.750 13.990 219 2HG LYS 33 2HG LYS 33 7.424 6.391 15.006 220 1HD LYS 33 HD2 LYS 33 6.914 4.417 13.875 221 2HD LYS 33 HD3 LYS 33 7.533 5.002 12.343 222 1HE LYS 33 2HE LYS 33 9.459 4.535 14.636 223 2HE LYS 33 3HE LYS 33 8.879 3.164 13.710 224 1HZ LYS 33 HZ1 LYS 33 10.758 5.177 12.919 225 2HZ LYS 33 HZ2 LYS 33 10.494 3.713 12.257 226 H ASP 34 HN ASP 34 3.605 7.892 15.471 227 HA ASP 34 HA ASP 34 3.299 5.003 15.415 228 1HB ASP 34 1HB ASP 34 2.226 5.172 17.525 229 2HB ASP 34 2HB ASP 34 3.527 6.343 17.618 230 HD2 ASP 34 HD2 ASP 34 2.331 8.834 16.916 231 H ALA 35 HN ALA 35 1.519 8.168 15.249 232 HA ALA 35 HA ALA 35 -0.976 7.032 14.600 233 1HB ALA 35 1HB ALA 35 0.069 9.548 15.261 234 2HB ALA 35 2HB ALA 35 -0.536 9.742 13.599 235 3HB ALA 35 3HB ALA 35 -1.628 9.169 14.881 236 H PHE 36 HN PHE 36 1.977 7.421 12.837 237 HA PHE 36 HA PHE 36 0.949 7.880 10.278 238 1HB PHE 36 1HB PHE 36 3.425 6.659 11.565 239 2HB PHE 36 2HB PHE 36 3.243 6.500 9.829 240 HD1 PHE 36 HD1 PHE 36 3.335 9.037 12.544 241 HD2 PHE 36 HD2 PHE 36 3.889 8.242 8.413 242 HE1 PHE 36 HE1 PHE 36 4.300 11.333 12.232 243 HE2 PHE 36 HE2 PHE 36 4.854 10.538 8.101 244 HZ PHE 36 HZ PHE 36 5.048 12.056 10.014 245 H GLU 37 HN GLU 37 0.055 6.553 8.734 246 HA GLU 37 HA GLU 37 -0.192 3.758 9.523 247 1HB GLU 37 1HB GLU 37 -2.224 5.500 9.049 248 2HB GLU 37 2HB GLU 37 -1.987 4.908 7.417 249 1HG GLU 37 1HG GLU 37 -2.004 2.790 9.519 250 2HG GLU 37 2HG GLU 37 -3.523 3.642 9.327 251 HE2 GLU 37 HE2 GLU 37 -1.672 1.215 8.051 252 H LYS 38 HN LYS 38 0.053 2.099 7.867 253 HA LYS 38 HA LYS 38 1.891 2.969 5.786 254 1HB LYS 38 1HB LYS 38 2.425 1.095 7.405 255 2HB LYS 38 2HB LYS 38 1.179 0.146 6.619 256 1HG LYS 38 1HG LYS 38 2.352 0.437 4.421 257 2HG LYS 38 2HG LYS 38 3.603 1.369 5.218 258 1HD LYS 38 HD2 LYS 38 4.650 -0.671 5.376 259 2HD LYS 38 HD3 LYS 38 3.651 -0.844 6.804 260 1HE LYS 38 2HE LYS 38 2.755 -1.760 4.033 261 2HE LYS 38 3HE LYS 38 3.581 -2.812 5.164 262 1HZ LYS 38 HZ1 LYS 38 0.849 -1.956 5.204 263 2HZ LYS 38 HZ2 LYS 38 1.537 -3.202 5.994 264 H GLN 39 HN GLN 39 0.415 4.005 4.348 265 HA GLN 39 HA GLN 39 -0.907 2.105 2.672 266 1HB GLN 39 1HB GLN 39 -3.106 3.241 2.729 267 2HB GLN 39 2HB GLN 39 -2.692 2.581 4.298 268 1HG GLN 39 1HG GLN 39 -2.429 4.667 5.271 269 2HG GLN 39 2HG GLN 39 -1.791 5.392 3.809 270 1HE2 GLN 39 1HE2 GLN 39 -3.085 6.457 2.443 271 2HE2 GLN 39 2HE2 GLN 39 -4.794 6.669 2.631 Start of MODEL 9 1 1H MET 1 HN MET 1 2.356 -0.331 -1.803 2 HA MET 1 HA MET 1 2.781 1.610 -3.822 3 1HB MET 1 1HB MET 1 0.374 1.740 -2.169 4 2HB MET 1 2HB MET 1 1.406 3.100 -1.771 5 1HG MET 1 1HG MET 1 1.611 3.449 -4.362 6 2HG MET 1 2HG MET 1 0.236 2.370 -4.484 7 1HE MET 1 1HE MET 1 -1.149 5.106 -5.559 8 2HE MET 1 2HE MET 1 -0.279 6.415 -4.725 9 3HE MET 1 3HE MET 1 0.629 5.087 -5.486 10 H ASP 2 HN ASP 2 2.593 0.859 -0.293 11 HA ASP 2 HA ASP 2 3.950 1.230 1.355 12 1HB ASP 2 1HB ASP 2 6.214 1.844 -0.576 13 2HB ASP 2 2HB ASP 2 6.319 1.090 1.004 14 HD2 ASP 2 HD2 ASP 2 5.794 -2.074 -0.164 15 H ILE 3 HN ILE 3 2.779 3.305 1.775 16 HA ILE 3 HA ILE 3 4.547 5.595 1.377 17 HB ILE 3 HB ILE 3 1.628 5.450 0.644 18 1HG1 ILE 3 2HG1 ILE 3 3.748 6.653 -1.083 19 2HG1 ILE 3 3HG1 ILE 3 3.718 4.907 -0.929 20 1HG2 ILE 3 1HG2 ILE 3 2.943 7.612 1.913 21 2HG2 ILE 3 2HG2 ILE 3 2.746 8.052 0.199 22 3HG2 ILE 3 3HG2 ILE 3 1.327 7.582 1.166 23 1HD1 ILE 3 1HD1 ILE 3 2.057 4.863 -2.466 24 2HD1 ILE 3 2HD1 ILE 3 1.003 5.667 -1.277 25 3HD1 ILE 3 3HD1 ILE 3 1.935 6.639 -2.442 26 H TYR 4 HN TYR 4 4.664 6.933 3.089 27 HA TYR 4 HA TYR 4 3.128 6.096 5.496 28 1HB TYR 4 1HB TYR 4 5.833 7.387 5.087 29 2HB TYR 4 2HB TYR 4 5.015 7.392 6.659 30 HD1 TYR 4 HD1 TYR 4 4.568 5.249 7.843 31 HD2 TYR 4 HD2 TYR 4 6.889 5.415 4.233 32 HE1 TYR 4 HE1 TYR 4 5.468 2.989 8.320 33 HE2 TYR 4 HE2 TYR 4 7.790 3.154 4.710 34 HH TYR 4 HH TYR 4 7.506 1.234 6.022 35 H VAL 5 HN VAL 5 1.221 7.377 5.311 36 HA VAL 5 HA VAL 5 1.714 10.253 5.025 37 HB VAL 5 HB VAL 5 -0.865 8.702 4.743 38 1HG1 VAL 5 1HG1 VAL 5 -0.346 11.474 5.011 39 2HG1 VAL 5 2HG1 VAL 5 -0.767 11.194 3.304 40 3HG1 VAL 5 3HG1 VAL 5 -1.883 10.681 4.592 41 1HG2 VAL 5 1HG2 VAL 5 -0.586 8.750 2.372 42 2HG2 VAL 5 2HG2 VAL 5 0.860 9.780 2.495 43 3HG2 VAL 5 3HG2 VAL 5 0.920 8.091 3.057 44 H CYS 6 HN CYS 6 1.801 11.380 6.892 45 HA CYS 6 HA CYS 6 1.257 10.310 9.353 46 1HB CYS 6 1HB CYS 6 2.598 12.367 8.817 47 2HB CYS 6 2HB CYS 6 1.089 13.242 8.641 48 H THR 7 HN THR 7 -0.548 10.706 10.867 49 HA THR 7 HA THR 7 -3.078 11.180 9.433 50 HB THR 7 HB THR 7 -3.970 9.719 11.388 51 HG1 THR 7 HG1 THR 7 -2.041 9.957 12.707 52 1HG2 THR 7 1HG2 THR 7 -2.742 8.940 8.941 53 2HG2 THR 7 2HG2 THR 7 -2.025 7.887 10.185 54 3HG2 THR 7 3HG2 THR 7 -3.792 7.934 9.969 55 H VAL 8 HN VAL 8 -0.985 12.985 10.982 56 HA VAL 8 HA VAL 8 -2.958 14.125 12.832 57 HB VAL 8 HB VAL 8 0.051 14.168 12.715 58 1HG1 VAL 8 1HG1 VAL 8 -0.237 15.677 14.822 59 2HG1 VAL 8 2HG1 VAL 8 -0.310 16.415 13.205 60 3HG1 VAL 8 3HG1 VAL 8 -1.813 16.087 14.102 61 1HG2 VAL 8 1HG2 VAL 8 -0.398 12.388 14.043 62 2HG2 VAL 8 2HG2 VAL 8 -0.623 13.643 15.285 63 3HG2 VAL 8 3HG2 VAL 8 -2.035 12.958 14.445 64 H CYS 9 HN CYS 9 -0.410 15.018 10.400 65 HA CYS 9 HA CYS 9 -1.947 17.463 9.934 66 1HB CYS 9 1HB CYS 9 0.258 18.137 8.743 67 2HB CYS 9 2HB CYS 9 0.131 18.229 10.489 68 H GLY 10 HN GLY 10 -0.938 14.355 8.708 69 1HA GLY 10 HA1 GLY 10 -1.911 13.348 6.854 70 2HA GLY 10 HA2 GLY 10 -2.282 14.918 6.170 71 H TYR 11 HN TYR 11 0.820 14.953 7.478 72 HA TYR 11 HA TYR 11 2.255 15.559 5.250 73 1HB TYR 11 1HB TYR 11 3.053 15.461 7.635 74 2HB TYR 11 2HB TYR 11 3.256 13.712 7.439 75 HD1 TYR 11 HD1 TYR 11 5.528 13.242 7.415 76 HD2 TYR 11 HD2 TYR 11 4.058 16.590 5.161 77 HE1 TYR 11 HE1 TYR 11 7.796 13.607 6.479 78 HE2 TYR 11 HE2 TYR 11 6.326 16.955 4.225 79 HH TYR 11 HH TYR 11 9.031 15.994 5.368 80 H GLU 12 HN GLU 12 3.674 14.348 3.741 81 HA GLU 12 HA GLU 12 2.798 11.581 3.474 82 1HB GLU 12 1HB GLU 12 2.686 13.807 1.498 83 2HB GLU 12 2HB GLU 12 3.331 12.303 0.872 84 1HG GLU 12 1HG GLU 12 1.276 11.332 0.853 85 2HG GLU 12 2HG GLU 12 0.983 11.768 2.526 86 HE2 GLU 12 HE2 GLU 12 -0.290 13.855 2.783 87 H TYR 13 HN TYR 13 4.419 10.174 3.439 88 HA TYR 13 HA TYR 13 7.131 11.153 2.681 89 1HB TYR 13 1HB TYR 13 7.019 10.931 5.093 90 2HB TYR 13 2HB TYR 13 6.306 9.315 4.951 91 HD1 TYR 13 HD1 TYR 13 7.668 7.388 4.305 92 HD2 TYR 13 HD2 TYR 13 9.393 11.299 4.727 93 HE1 TYR 13 HE1 TYR 13 9.936 6.385 4.333 94 HE2 TYR 13 HE2 TYR 13 11.661 10.296 4.755 95 HH TYR 13 HH TYR 13 12.877 8.349 4.811 96 H ASP 14 HN ASP 14 8.619 9.336 1.932 97 HA ASP 14 HA ASP 14 7.007 7.174 0.827 98 1HB ASP 14 1HB ASP 14 7.933 9.112 -0.758 99 2HB ASP 14 2HB ASP 14 9.449 8.248 -0.605 100 HD2 ASP 14 HD2 ASP 14 6.312 8.072 -2.024 101 HA PRO 15 HA PRO 15 10.225 4.726 2.705 102 1HB PRO 15 1HB PRO 15 9.571 2.301 1.621 103 2HB PRO 15 2HB PRO 15 8.513 3.138 2.803 104 1HG PRO 15 1HG PRO 15 7.973 3.023 -0.325 105 2HG PRO 15 2HG PRO 15 7.237 2.847 1.301 106 1HD PRO 15 HD2 PRO 15 7.534 5.255 -0.325 107 2HD PRO 15 HD3 PRO 15 6.838 5.123 1.319 108 H ALA 16 HN ALA 16 12.238 5.456 1.834 109 HA ALA 16 HA ALA 16 13.660 3.853 0.213 110 1HB ALA 16 1HB ALA 16 13.495 5.519 -1.927 111 2HB ALA 16 2HB ALA 16 12.549 4.018 -1.776 112 3HB ALA 16 3HB ALA 16 11.810 5.581 -1.356 113 H PHE 17 HN PHE 17 14.673 4.907 2.241 114 HA PHE 17 HA PHE 17 16.330 7.079 1.278 115 1HB PHE 17 1HB PHE 17 14.394 7.087 3.641 116 2HB PHE 17 2HB PHE 17 15.856 8.049 3.744 117 HD1 PHE 17 HD1 PHE 17 12.842 7.518 1.633 118 HD2 PHE 17 HD2 PHE 17 15.925 10.187 2.807 119 HE1 PHE 17 HE1 PHE 17 11.708 9.378 0.387 120 HE2 PHE 17 HE2 PHE 17 14.790 12.047 1.562 121 HZ PHE 17 HZ PHE 17 12.695 11.620 0.366 122 H GLU 18 HN GLU 18 17.767 7.667 3.549 123 HA GLU 18 HA GLU 18 18.611 5.050 4.510 124 1HB GLU 18 1HB GLU 18 20.090 6.103 2.646 125 2HB GLU 18 2HB GLU 18 20.582 7.268 3.859 126 1HG GLU 18 1HG GLU 18 20.686 4.407 4.724 127 2HG GLU 18 2HG GLU 18 21.820 4.847 3.462 128 HE2 GLU 18 HE2 GLU 18 22.918 7.424 4.544 129 H ASP 19 HN ASP 19 16.929 6.161 6.150 130 HA ASP 19 HA ASP 19 18.393 6.756 8.403 131 1HB ASP 19 1HB ASP 19 18.542 8.982 7.013 132 2HB ASP 19 2HB ASP 19 16.858 9.198 7.444 133 HD2 ASP 19 HD2 ASP 19 17.564 10.300 10.601 134 H LEU 20 HN LEU 20 16.893 5.263 9.342 135 HA LEU 20 HA LEU 20 14.235 6.354 9.791 136 1HB LEU 20 1HB LEU 20 14.396 4.717 7.750 137 2HB LEU 20 2HB LEU 20 14.462 3.479 8.989 138 HG LEU 20 HG LEU 20 12.306 4.956 9.825 139 1HD1 LEU 20 1HD1 LEU 20 11.065 4.892 7.398 140 2HD1 LEU 20 2HD1 LEU 20 11.737 6.352 8.163 141 3HD1 LEU 20 3HD1 LEU 20 12.689 5.465 6.948 142 1HD2 LEU 20 1HD2 LEU 20 11.809 2.779 7.842 143 2HD2 LEU 20 2HD2 LEU 20 12.757 2.398 9.300 144 3HD2 LEU 20 3HD2 LEU 20 11.107 3.050 9.456 145 HA PRO 21 HA PRO 21 16.235 4.691 13.554 146 1HB PRO 21 1HB PRO 21 15.920 6.906 15.095 147 2HB PRO 21 2HB PRO 21 17.199 6.813 13.842 148 1HG PRO 21 1HG PRO 21 14.487 8.036 13.662 149 2HG PRO 21 2HG PRO 21 16.028 8.806 13.161 150 1HD PRO 21 HD2 PRO 21 14.333 7.573 11.375 151 2HD PRO 21 HD3 PRO 21 16.111 7.512 11.179 152 H ASP 22 HN ASP 22 15.166 4.469 15.824 153 HA ASP 22 HA ASP 22 12.364 4.034 15.329 154 1HB ASP 22 1HB ASP 22 13.428 3.392 18.019 155 2HB ASP 22 2HB ASP 22 12.519 2.381 16.914 156 HD2 ASP 22 HD2 ASP 22 16.335 2.138 17.473 157 H ASP 23 HN ASP 23 13.229 6.799 15.542 158 HA ASP 23 HA ASP 23 11.563 7.591 17.701 159 1HB ASP 23 1HB ASP 23 14.109 7.299 18.498 160 2HB ASP 23 2HB ASP 23 14.310 8.853 17.712 161 HD2 ASP 23 HD2 ASP 23 13.115 10.600 20.297 162 H TRP 24 HN TRP 24 11.158 7.866 14.973 163 HA TRP 24 HA TRP 24 12.174 10.488 14.201 164 1HB TRP 24 1HB TRP 24 12.241 8.450 12.684 165 2HB TRP 24 2HB TRP 24 10.499 8.595 12.557 166 HD1 TRP 24 HD1 TRP 24 13.292 11.333 12.255 167 HE1 TRP 24 HE1 TRP 24 12.959 12.740 10.047 168 HE3 TRP 24 HE3 TRP 24 9.242 8.748 10.593 169 HZ2 TRP 24 HZ2 TRP 24 11.082 12.617 7.902 170 HZ3 TRP 24 HZ3 TRP 24 8.218 9.456 8.432 171 HH2 TRP 24 HH2 TRP 24 9.074 11.318 7.100 172 H ALA 25 HN ALA 25 10.770 12.270 13.864 173 HA ALA 25 HA ALA 25 7.970 11.818 14.620 174 1HB ALA 25 1HB ALA 25 8.326 12.965 16.520 175 2HB ALA 25 2HB ALA 25 10.012 13.298 16.059 176 3HB ALA 25 3HB ALA 25 8.711 14.391 15.528 177 H CYS 26 HN CYS 26 6.490 12.873 13.326 178 HA CYS 26 HA CYS 26 7.140 13.645 10.829 179 1HB CYS 26 1HB CYS 26 4.847 13.243 11.907 180 2HB CYS 26 2HB CYS 26 4.874 14.942 12.334 181 HA PRO 27 HA PRO 27 9.801 17.160 11.735 182 1HB PRO 27 1HB PRO 27 9.300 17.373 8.742 183 2HB PRO 27 2HB PRO 27 10.819 17.528 9.684 184 1HG PRO 27 1HG PRO 27 10.340 15.196 8.461 185 2HG PRO 27 2HG PRO 27 11.067 15.112 10.099 186 1HD PRO 27 HD2 PRO 27 8.200 14.695 9.190 187 2HD PRO 27 HD3 PRO 27 9.092 13.901 10.521 188 H VAL 28 HN VAL 28 6.564 17.015 10.281 189 HA VAL 28 HA VAL 28 6.340 19.889 10.185 190 HB VAL 28 HB VAL 28 4.371 17.639 9.730 191 1HG1 VAL 28 1HG1 VAL 28 3.308 19.795 8.447 192 2HG1 VAL 28 2HG1 VAL 28 2.834 19.259 10.077 193 3HG1 VAL 28 3HG1 VAL 28 4.019 20.573 9.880 194 1HG2 VAL 28 1HG2 VAL 28 5.247 17.470 7.688 195 2HG2 VAL 28 2HG2 VAL 28 4.937 19.197 7.393 196 3HG2 VAL 28 3HG2 VAL 28 6.477 18.681 8.119 197 H CYS 29 HN CYS 29 3.826 17.746 11.551 198 HA CYS 29 HA CYS 29 3.254 19.516 13.607 199 1HB CYS 29 1HB CYS 29 1.925 17.644 14.557 200 2HB CYS 29 2HB CYS 29 1.580 18.009 12.878 201 H GLY 30 HN GLY 30 5.179 16.442 13.492 202 1HA GLY 30 HA1 GLY 30 7.258 16.420 14.731 203 2HA GLY 30 HA2 GLY 30 6.446 17.261 16.037 204 H ALA 31 HN ALA 31 3.949 15.443 15.226 205 HA ALA 31 HA ALA 31 3.971 13.740 17.306 206 1HB ALA 31 1HB ALA 31 2.329 14.266 15.158 207 2HB ALA 31 2HB ALA 31 2.795 12.575 14.856 208 3HB ALA 31 3HB ALA 31 2.022 13.022 16.395 209 H SER 32 HN SER 32 4.260 11.346 17.453 210 HA SER 32 HA SER 32 6.829 10.690 16.508 211 1HB SER 32 1HB SER 32 6.174 8.391 17.558 212 2HB SER 32 2HB SER 32 6.331 9.779 18.615 213 HG SER 32 HG SER 32 3.843 8.791 17.502 214 H LYS 33 HN LYS 33 7.194 8.403 15.435 215 HA LYS 33 HA LYS 33 5.591 8.400 13.032 216 1HB LYS 33 1HB LYS 33 7.301 6.777 12.242 217 2HB LYS 33 2HB LYS 33 7.969 8.317 12.747 218 1HG LYS 33 1HG LYS 33 9.264 7.301 14.306 219 2HG LYS 33 2HG LYS 33 7.857 6.575 15.057 220 1HD LYS 33 HD2 LYS 33 9.340 4.778 14.351 221 2HD LYS 33 HD3 LYS 33 7.918 4.738 13.329 222 1HE LYS 33 2HE LYS 33 9.250 6.188 11.649 223 2HE LYS 33 3HE LYS 33 10.666 5.856 12.626 224 1HZ LYS 33 HZ1 LYS 33 10.781 4.043 11.277 225 2HZ LYS 33 HZ2 LYS 33 9.693 3.384 12.294 226 H ASP 34 HN ASP 34 3.915 7.779 15.089 227 HA ASP 34 HA ASP 34 3.726 4.876 14.887 228 1HB ASP 34 1HB ASP 34 4.046 5.753 17.210 229 2HB ASP 34 2HB ASP 34 2.620 6.755 17.028 230 HD2 ASP 34 HD2 ASP 34 3.183 3.193 16.640 231 H ALA 35 HN ALA 35 1.950 8.036 15.070 232 HA ALA 35 HA ALA 35 -0.592 7.021 14.506 233 1HB ALA 35 1HB ALA 35 0.654 9.520 15.022 234 2HB ALA 35 2HB ALA 35 -0.208 9.696 13.474 235 3HB ALA 35 3HB ALA 35 -1.089 9.171 14.928 236 H PHE 36 HN PHE 36 2.259 7.478 12.533 237 HA PHE 36 HA PHE 36 1.051 7.905 10.061 238 1HB PHE 36 1HB PHE 36 3.616 6.643 11.136 239 2HB PHE 36 2HB PHE 36 3.309 6.587 9.412 240 HD1 PHE 36 HD1 PHE 36 3.768 8.893 12.270 241 HD2 PHE 36 HD2 PHE 36 3.696 8.475 8.048 242 HE1 PHE 36 HE1 PHE 36 4.718 11.204 12.025 243 HE2 PHE 36 HE2 PHE 36 4.646 10.786 7.802 244 HZ PHE 36 HZ PHE 36 5.145 12.122 9.794 245 H GLU 37 HN GLU 37 0.085 6.576 8.557 246 HA GLU 37 HA GLU 37 -0.132 3.786 9.370 247 1HB GLU 37 1HB GLU 37 -2.246 5.208 9.228 248 2HB GLU 37 2HB GLU 37 -1.985 5.320 7.499 249 1HG GLU 37 1HG GLU 37 -3.563 3.475 8.087 250 2HG GLU 37 2HG GLU 37 -2.139 2.880 7.255 251 HE2 GLU 37 HE2 GLU 37 -2.723 2.061 11.131 252 H LYS 38 HN LYS 38 0.310 2.117 7.866 253 HA LYS 38 HA LYS 38 1.818 3.032 5.543 254 1HB LYS 38 1HB LYS 38 2.923 1.518 7.145 255 2HB LYS 38 2HB LYS 38 1.682 0.312 6.878 256 1HG LYS 38 1HG LYS 38 3.044 1.392 4.429 257 2HG LYS 38 2HG LYS 38 4.012 0.371 5.475 258 1HD LYS 38 HD2 LYS 38 1.467 -0.917 5.230 259 2HD LYS 38 HD3 LYS 38 1.911 -0.398 3.616 260 1HE LYS 38 2HE LYS 38 4.100 -1.664 5.227 261 2HE LYS 38 3HE LYS 38 2.793 -2.728 4.747 262 1HZ LYS 38 HZ1 LYS 38 4.445 -1.072 2.918 263 2HZ LYS 38 HZ2 LYS 38 4.444 -2.698 3.013 264 H GLN 39 HN GLN 39 0.060 3.656 4.187 265 HA GLN 39 HA GLN 39 -1.608 1.398 3.395 266 1HB GLN 39 1HB GLN 39 -2.675 3.555 4.365 267 2HB GLN 39 2HB GLN 39 -2.225 4.325 2.856 268 1HG GLN 39 1HG GLN 39 -3.416 2.057 1.880 269 2HG GLN 39 2HG GLN 39 -4.309 2.239 3.377 270 1HE2 GLN 39 1HE2 GLN 39 -5.624 3.997 3.720 271 2HE2 GLN 39 2HE2 GLN 39 -6.122 5.083 2.466 Start of MODEL 10 1 1H MET 1 HN MET 1 7.134 3.644 -2.555 2 HA MET 1 HA MET 1 5.584 2.339 -4.441 3 1HB MET 1 1HB MET 1 7.671 0.700 -3.518 4 2HB MET 1 2HB MET 1 6.349 0.246 -2.460 5 1HG MET 1 1HG MET 1 5.659 0.480 -5.368 6 2HG MET 1 2HG MET 1 6.737 -0.837 -4.948 7 1HE MET 1 1HE MET 1 5.756 -2.824 -5.079 8 2HE MET 1 2HE MET 1 5.900 -2.992 -3.312 9 3HE MET 1 3HE MET 1 4.391 -3.459 -4.131 10 H ASP 2 HN ASP 2 6.532 2.266 -0.937 11 HA ASP 2 HA ASP 2 3.755 2.109 -0.228 12 1HB ASP 2 1HB ASP 2 6.104 1.202 0.940 13 2HB ASP 2 2HB ASP 2 5.780 2.638 1.892 14 HD2 ASP 2 HD2 ASP 2 4.191 0.061 3.691 15 H ILE 3 HN ILE 3 2.918 3.739 1.484 16 HA ILE 3 HA ILE 3 4.264 6.326 1.288 17 HB ILE 3 HB ILE 3 1.354 5.799 0.682 18 1HG1 ILE 3 2HG1 ILE 3 2.797 7.354 -1.276 19 2HG1 ILE 3 3HG1 ILE 3 3.640 5.845 -0.986 20 1HG2 ILE 3 1HG2 ILE 3 0.863 8.008 0.859 21 2HG2 ILE 3 2HG2 ILE 3 2.145 7.924 2.091 22 3HG2 ILE 3 3HG2 ILE 3 2.517 8.530 0.459 23 1HD1 ILE 3 1HD1 ILE 3 0.665 5.637 -1.223 24 2HD1 ILE 3 2HD1 ILE 3 1.547 6.065 -2.708 25 3HD1 ILE 3 3HD1 ILE 3 1.935 4.556 -1.847 26 H TYR 4 HN TYR 4 4.291 7.443 3.135 27 HA TYR 4 HA TYR 4 2.820 6.251 5.440 28 1HB TYR 4 1HB TYR 4 5.583 7.334 5.077 29 2HB TYR 4 2HB TYR 4 4.781 7.632 6.628 30 HD1 TYR 4 HD1 TYR 4 5.985 6.250 8.105 31 HD2 TYR 4 HD2 TYR 4 4.467 4.627 4.429 32 HE1 TYR 4 HE1 TYR 4 6.597 3.968 8.858 33 HE2 TYR 4 HE2 TYR 4 5.080 2.346 5.182 34 HH TYR 4 HH TYR 4 6.258 1.121 6.765 35 H VAL 5 HN VAL 5 0.915 7.634 4.901 36 HA VAL 5 HA VAL 5 1.388 10.483 5.060 37 HB VAL 5 HB VAL 5 -1.070 8.778 4.641 38 1HG1 VAL 5 1HG1 VAL 5 -1.653 11.408 3.865 39 2HG1 VAL 5 2HG1 VAL 5 -2.302 10.532 5.272 40 3HG1 VAL 5 3HG1 VAL 5 -0.860 11.561 5.452 41 1HG2 VAL 5 1HG2 VAL 5 -0.095 8.671 2.596 42 2HG2 VAL 5 2HG2 VAL 5 -0.815 10.287 2.408 43 3HG2 VAL 5 3HG2 VAL 5 0.896 10.124 2.869 44 H CYS 6 HN CYS 6 1.495 11.542 6.966 45 HA CYS 6 HA CYS 6 1.080 10.283 9.390 46 1HB CYS 6 1HB CYS 6 2.449 12.346 8.923 47 2HB CYS 6 2HB CYS 6 0.955 13.260 8.889 48 H THR 7 HN THR 7 -0.658 10.554 10.980 49 HA THR 7 HA THR 7 -3.228 11.212 9.699 50 HB THR 7 HB THR 7 -4.109 9.612 11.501 51 HG1 THR 7 HG1 THR 7 -2.155 9.861 12.845 52 1HG2 THR 7 1HG2 THR 7 -2.976 7.517 10.499 53 2HG2 THR 7 2HG2 THR 7 -3.797 8.577 9.329 54 3HG2 THR 7 3HG2 THR 7 -2.025 8.634 9.490 55 H VAL 8 HN VAL 8 -1.095 12.940 11.173 56 HA VAL 8 HA VAL 8 -2.946 13.955 13.216 57 HB VAL 8 HB VAL 8 0.065 14.105 12.991 58 1HG1 VAL 8 1HG1 VAL 8 -0.417 16.172 13.928 59 2HG1 VAL 8 2HG1 VAL 8 -1.878 15.578 14.754 60 3HG1 VAL 8 3HG1 VAL 8 -0.266 15.145 15.374 61 1HG2 VAL 8 1HG2 VAL 8 -0.057 12.896 15.200 62 2HG2 VAL 8 2HG2 VAL 8 -1.801 12.682 14.912 63 3HG2 VAL 8 3HG2 VAL 8 -0.620 11.956 13.796 64 H CYS 9 HN CYS 9 -0.456 14.952 10.765 65 HA CYS 9 HA CYS 9 -1.944 17.459 10.517 66 1HB CYS 9 1HB CYS 9 0.275 18.096 9.259 67 2HB CYS 9 2HB CYS 9 0.139 18.199 11.003 68 H GLY 10 HN GLY 10 -1.059 14.418 9.052 69 1HA GLY 10 HA1 GLY 10 -2.104 13.558 7.168 70 2HA GLY 10 HA2 GLY 10 -2.476 15.177 6.609 71 H TYR 11 HN TYR 11 0.684 15.004 7.813 72 HA TYR 11 HA TYR 11 2.061 15.787 5.604 73 1HB TYR 11 1HB TYR 11 2.966 15.448 7.908 74 2HB TYR 11 2HB TYR 11 3.036 13.707 7.589 75 HD1 TYR 11 HD1 TYR 11 5.313 13.179 7.567 76 HD2 TYR 11 HD2 TYR 11 3.912 16.580 5.348 77 HE1 TYR 11 HE1 TYR 11 7.564 13.452 6.563 78 HE2 TYR 11 HE2 TYR 11 6.163 16.852 4.345 79 HH TYR 11 HH TYR 11 8.847 14.604 5.061 80 H GLU 12 HN GLU 12 3.206 14.782 3.819 81 HA GLU 12 HA GLU 12 2.261 12.063 3.334 82 1HB GLU 12 1HB GLU 12 2.173 14.498 1.642 83 2HB GLU 12 2HB GLU 12 2.797 13.086 0.813 84 1HG GLU 12 1HG GLU 12 0.317 12.730 2.487 85 2HG GLU 12 2HG GLU 12 0.152 13.597 0.975 86 HE2 GLU 12 HE2 GLU 12 -0.125 11.503 -0.918 87 H TYR 13 HN TYR 13 3.867 10.657 3.421 88 HA TYR 13 HA TYR 13 6.552 11.497 2.435 89 1HB TYR 13 1HB TYR 13 6.441 11.363 4.915 90 2HB TYR 13 2HB TYR 13 5.914 9.677 4.781 91 HD1 TYR 13 HD1 TYR 13 7.502 7.983 4.851 92 HD2 TYR 13 HD2 TYR 13 8.707 11.942 3.698 93 HE1 TYR 13 HE1 TYR 13 9.869 7.246 4.797 94 HE2 TYR 13 HE2 TYR 13 11.074 11.204 3.642 95 HH TYR 13 HH TYR 13 12.526 9.405 4.586 96 H ASP 14 HN ASP 14 7.919 9.608 1.661 97 HA ASP 14 HA ASP 14 6.207 7.395 0.868 98 1HB ASP 14 1HB ASP 14 6.783 9.224 -0.957 99 2HB ASP 14 2HB ASP 14 8.372 8.486 -0.957 100 HD2 ASP 14 HD2 ASP 14 4.960 7.125 -1.997 101 HA PRO 15 HA PRO 15 9.653 5.771 3.460 102 1HB PRO 15 1HB PRO 15 8.167 3.361 2.320 103 2HB PRO 15 2HB PRO 15 8.882 3.621 3.945 104 1HG PRO 15 1HG PRO 15 6.260 4.061 3.504 105 2HG PRO 15 2HG PRO 15 7.081 5.122 4.694 106 1HD PRO 15 HD2 PRO 15 6.074 5.720 1.946 107 2HD PRO 15 HD3 PRO 15 6.540 6.856 3.249 108 H ALA 16 HN ALA 16 11.632 6.028 2.381 109 HA ALA 16 HA ALA 16 12.622 4.065 0.763 110 1HB ALA 16 1HB ALA 16 12.593 5.657 -1.418 111 2HB ALA 16 2HB ALA 16 11.358 4.411 -1.119 112 3HB ALA 16 3HB ALA 16 11.024 6.111 -0.713 113 H PHE 17 HN PHE 17 14.003 4.918 2.647 114 HA PHE 17 HA PHE 17 15.856 6.858 1.509 115 1HB PHE 17 1HB PHE 17 14.077 7.097 3.885 116 2HB PHE 17 2HB PHE 17 15.760 7.328 4.314 117 HD1 PHE 17 HD1 PHE 17 16.544 9.488 4.279 118 HD2 PHE 17 HD2 PHE 17 13.399 8.433 1.632 119 HE1 PHE 17 HE1 PHE 17 16.424 11.863 3.475 120 HE2 PHE 17 HE2 PHE 17 13.280 10.808 0.827 121 HZ PHE 17 HZ PHE 17 14.793 12.495 1.759 122 H GLU 18 HN GLU 18 17.613 7.025 3.707 123 HA GLU 18 HA GLU 18 18.348 4.218 4.013 124 1HB GLU 18 1HB GLU 18 19.777 5.842 2.490 125 2HB GLU 18 2HB GLU 18 20.393 6.448 4.015 126 1HG GLU 18 1HG GLU 18 20.590 3.732 4.440 127 2HG GLU 18 2HG GLU 18 20.838 3.801 2.707 128 HE2 GLU 18 HE2 GLU 18 23.448 3.354 4.097 129 H ASP 19 HN ASP 19 18.784 7.546 5.409 130 HA ASP 19 HA ASP 19 19.486 6.446 7.926 131 1HB ASP 19 1HB ASP 19 19.833 8.892 6.661 132 2HB ASP 19 2HB ASP 19 18.565 9.275 7.809 133 HD2 ASP 19 HD2 ASP 19 21.480 10.315 8.871 134 H LEU 20 HN LEU 20 17.753 5.319 8.912 135 HA LEU 20 HA LEU 20 15.362 6.921 9.433 136 1HB LEU 20 1HB LEU 20 15.074 5.298 7.490 137 2HB LEU 20 2HB LEU 20 15.222 4.009 8.668 138 HG LEU 20 HG LEU 20 13.196 6.151 9.178 139 1HD1 LEU 20 1HD1 LEU 20 12.222 5.867 7.190 140 2HD1 LEU 20 2HD1 LEU 20 13.217 4.442 6.804 141 3HD1 LEU 20 3HD1 LEU 20 11.746 4.260 7.789 142 1HD2 LEU 20 1HD2 LEU 20 12.646 4.755 10.808 143 2HD2 LEU 20 2HD2 LEU 20 12.227 3.515 9.601 144 3HD2 LEU 20 3HD2 LEU 20 13.880 3.595 10.258 145 HA PRO 21 HA PRO 21 17.449 5.623 13.306 146 1HB PRO 21 1HB PRO 21 15.478 7.800 14.092 147 2HB PRO 21 2HB PRO 21 17.157 7.495 14.642 148 1HG PRO 21 1HG PRO 21 16.775 9.432 12.743 149 2HG PRO 21 2HG PRO 21 18.163 8.302 12.617 150 1HD PRO 21 HD2 PRO 21 15.437 8.238 11.239 151 2HD PRO 21 HD3 PRO 21 17.054 7.898 10.552 152 H ASP 22 HN ASP 22 16.292 4.981 15.490 153 HA ASP 22 HA ASP 22 13.972 3.469 14.678 154 1HB ASP 22 1HB ASP 22 14.354 2.578 17.156 155 2HB ASP 22 2HB ASP 22 15.381 2.032 15.846 156 HD2 ASP 22 HD2 ASP 22 17.389 2.054 16.375 157 H ASP 23 HN ASP 23 13.617 6.326 14.947 158 HA ASP 23 HA ASP 23 11.478 6.362 16.736 159 1HB ASP 23 1HB ASP 23 12.579 8.427 18.032 160 2HB ASP 23 2HB ASP 23 12.779 6.783 18.608 161 HD2 ASP 23 HD2 ASP 23 14.851 8.203 15.962 162 H TRP 24 HN TRP 24 11.590 6.877 14.039 163 HA TRP 24 HA TRP 24 12.260 9.517 13.336 164 1HB TRP 24 1HB TRP 24 11.889 7.400 11.884 165 2HB TRP 24 2HB TRP 24 10.198 7.859 11.915 166 HD1 TRP 24 HD1 TRP 24 13.439 9.975 11.264 167 HE1 TRP 24 HE1 TRP 24 13.147 11.449 9.095 168 HE3 TRP 24 HE3 TRP 24 8.755 8.340 10.145 169 HZ2 TRP 24 HZ2 TRP 24 11.038 11.759 7.197 170 HZ3 TRP 24 HZ3 TRP 24 7.651 9.279 8.118 171 HH2 TRP 24 HH2 TRP 24 8.715 10.931 6.666 172 H ALA 25 HN ALA 25 11.023 11.412 13.345 173 HA ALA 25 HA ALA 25 8.294 11.149 14.395 174 1HB ALA 25 1HB ALA 25 8.849 12.318 16.229 175 2HB ALA 25 2HB ALA 25 10.554 12.249 15.725 176 3HB ALA 25 3HB ALA 25 9.534 13.620 15.227 177 H CYS 26 HN CYS 26 6.760 12.434 13.379 178 HA CYS 26 HA CYS 26 7.200 13.259 10.827 179 1HB CYS 26 1HB CYS 26 4.994 12.887 11.886 180 2HB CYS 26 2HB CYS 26 5.169 14.396 12.762 181 HA PRO 27 HA PRO 27 9.605 16.946 11.337 182 1HB PRO 27 1HB PRO 27 9.510 17.849 8.781 183 2HB PRO 27 2HB PRO 27 10.339 16.313 9.196 184 1HG PRO 27 1HG PRO 27 7.335 16.478 8.102 185 2HG PRO 27 2HG PRO 27 8.820 15.636 7.553 186 1HD PRO 27 HD2 PRO 27 6.982 14.523 9.311 187 2HD PRO 27 HD3 PRO 27 8.731 14.144 9.374 188 H VAL 28 HN VAL 28 6.227 16.722 11.040 189 HA VAL 28 HA VAL 28 6.000 19.653 11.013 190 HB VAL 28 HB VAL 28 3.951 17.555 10.272 191 1HG1 VAL 28 1HG1 VAL 28 3.723 20.508 9.712 192 2HG1 VAL 28 2HG1 VAL 28 2.448 19.268 9.779 193 3HG1 VAL 28 3HG1 VAL 28 3.216 19.839 11.281 194 1HG2 VAL 28 1HG2 VAL 28 5.908 17.830 8.682 195 2HG2 VAL 28 2HG2 VAL 28 4.297 18.132 7.987 196 3HG2 VAL 28 3HG2 VAL 28 5.351 19.500 8.417 197 H CYS 29 HN CYS 29 3.461 17.363 12.000 198 HA CYS 29 HA CYS 29 2.800 18.647 14.281 199 1HB CYS 29 1HB CYS 29 1.838 16.473 15.047 200 2HB CYS 29 2HB CYS 29 1.357 16.986 13.441 201 H GLY 30 HN GLY 30 5.236 16.010 13.800 202 1HA GLY 30 HA1 GLY 30 7.281 16.022 14.978 203 2HA GLY 30 HA2 GLY 30 6.508 16.836 16.324 204 H ALA 31 HN ALA 31 4.174 14.690 15.423 205 HA ALA 31 HA ALA 31 4.512 13.038 17.626 206 1HB ALA 31 1HB ALA 31 3.012 11.953 15.301 207 2HB ALA 31 2HB ALA 31 2.485 12.221 16.980 208 3HB ALA 31 3HB ALA 31 2.526 13.580 15.832 209 H SER 32 HN SER 32 4.755 10.579 17.531 210 HA SER 32 HA SER 32 7.202 10.063 16.169 211 1HB SER 32 1HB SER 32 7.284 8.038 17.467 212 2HB SER 32 2HB SER 32 6.664 9.290 18.523 213 HG SER 32 HG SER 32 5.018 7.396 17.073 214 H LYS 33 HN LYS 33 7.293 7.577 15.232 215 HA LYS 33 HA LYS 33 5.465 7.647 13.007 216 1HB LYS 33 1HB LYS 33 6.887 5.982 12.037 217 2HB LYS 33 2HB LYS 33 7.902 7.225 12.740 218 1HG LYS 33 1HG LYS 33 7.234 5.027 14.625 219 2HG LYS 33 2HG LYS 33 8.144 4.498 13.223 220 1HD LYS 33 HD2 LYS 33 9.687 6.581 13.740 221 2HD LYS 33 HD3 LYS 33 8.939 6.537 15.325 222 1HE LYS 33 2HE LYS 33 9.930 3.908 14.277 223 2HE LYS 33 3HE LYS 33 11.165 5.088 14.670 224 1HZ LYS 33 HZ1 LYS 33 9.158 4.946 16.708 225 2HZ LYS 33 HZ2 LYS 33 9.860 3.496 16.475 226 H ASP 34 HN ASP 34 3.886 7.366 15.182 227 HA ASP 34 HA ASP 34 3.353 4.500 15.248 228 1HB ASP 34 1HB ASP 34 3.875 5.540 17.461 229 2HB ASP 34 2HB ASP 34 2.573 6.690 17.232 230 HD2 ASP 34 HD2 ASP 34 0.411 4.799 18.826 231 H ALA 35 HN ALA 35 1.987 7.850 15.090 232 HA ALA 35 HA ALA 35 -0.687 7.012 14.687 233 1HB ALA 35 1HB ALA 35 -0.894 9.178 15.248 234 2HB ALA 35 2HB ALA 35 0.839 9.468 14.960 235 3HB ALA 35 3HB ALA 35 -0.320 9.602 13.617 236 H PHE 36 HN PHE 36 2.168 7.344 12.651 237 HA PHE 36 HA PHE 36 0.873 7.719 10.201 238 1HB PHE 36 1HB PHE 36 3.498 6.490 11.188 239 2HB PHE 36 2HB PHE 36 3.138 6.516 9.474 240 HD1 PHE 36 HD1 PHE 36 3.816 8.619 12.417 241 HD2 PHE 36 HD2 PHE 36 3.294 8.539 8.206 242 HE1 PHE 36 HE1 PHE 36 4.726 10.953 12.260 243 HE2 PHE 36 HE2 PHE 36 4.204 10.873 8.049 244 HZ PHE 36 HZ PHE 36 4.909 12.052 10.079 245 H GLU 37 HN GLU 37 -0.093 6.328 8.754 246 HA GLU 37 HA GLU 37 0.256 3.498 9.208 247 1HB GLU 37 1HB GLU 37 -1.928 4.672 10.333 248 2HB GLU 37 2HB GLU 37 -2.572 4.358 8.733 249 1HG GLU 37 1HG GLU 37 -1.520 1.943 9.084 250 2HG GLU 37 2HG GLU 37 -1.550 2.375 10.782 251 HE2 GLU 37 HE2 GLU 37 -5.112 2.450 8.925 252 H LYS 38 HN LYS 38 0.357 2.356 7.283 253 HA LYS 38 HA LYS 38 0.673 3.715 4.907 254 1HB LYS 38 1HB LYS 38 1.507 1.422 5.493 255 2HB LYS 38 2HB LYS 38 -0.114 0.807 5.246 256 1HG LYS 38 1HG LYS 38 1.189 2.467 3.070 257 2HG LYS 38 2HG LYS 38 1.642 0.784 3.251 258 1HD LYS 38 HD2 LYS 38 -1.300 1.315 3.286 259 2HD LYS 38 HD3 LYS 38 -0.501 1.649 1.762 260 1HE LYS 38 2HE LYS 38 0.223 -0.939 3.102 261 2HE LYS 38 3HE LYS 38 -1.402 -0.827 2.455 262 1HZ LYS 38 HZ1 LYS 38 -0.585 -0.996 0.379 263 2HZ LYS 38 HZ2 LYS 38 0.502 0.198 0.594 264 H GLN 39 HN GLN 39 -0.648 4.297 3.199 265 HA GLN 39 HA GLN 39 -3.458 3.604 3.525 266 1HB GLN 39 1HB GLN 39 -2.424 6.154 3.975 267 2HB GLN 39 2HB GLN 39 -2.978 6.259 2.317 268 1HG GLN 39 1HG GLN 39 -5.228 5.555 2.938 269 2HG GLN 39 2HG GLN 39 -4.714 5.140 4.561 270 1HE2 GLN 39 1HE2 GLN 39 -4.033 6.802 5.995 271 2HE2 GLN 39 2HE2 GLN 39 -4.619 8.424 5.840 Start of MODEL 11 1 1H MET 1 HN MET 1 -0.110 1.889 -1.714 2 HA MET 1 HA MET 1 1.898 0.783 -2.852 3 1HB MET 1 1HB MET 1 1.906 3.690 -3.682 4 2HB MET 1 2HB MET 1 3.462 2.980 -3.303 5 1HG MET 1 1HG MET 1 3.461 1.644 -5.178 6 2HG MET 1 2HG MET 1 1.755 1.268 -5.037 7 1HE MET 1 1HE MET 1 2.413 2.954 -8.605 8 2HE MET 1 2HE MET 1 3.438 1.864 -7.641 9 3HE MET 1 3HE MET 1 1.699 1.526 -7.819 10 H ASP 2 HN ASP 2 4.205 1.352 -1.816 11 HA ASP 2 HA ASP 2 3.776 1.408 0.917 12 1HB ASP 2 1HB ASP 2 6.045 1.235 -0.949 13 2HB ASP 2 2HB ASP 2 6.474 2.132 0.494 14 HD2 ASP 2 HD2 ASP 2 7.865 -0.210 0.869 15 H ILE 3 HN ILE 3 2.811 3.348 1.703 16 HA ILE 3 HA ILE 3 4.506 5.710 1.535 17 HB ILE 3 HB ILE 3 1.726 5.461 0.487 18 1HG1 ILE 3 2HG1 ILE 3 3.497 7.514 -0.599 19 2HG1 ILE 3 3HG1 ILE 3 4.241 5.927 -0.620 20 1HG2 ILE 3 1HG2 ILE 3 1.471 7.038 2.333 21 2HG2 ILE 3 2HG2 ILE 3 2.837 7.999 1.716 22 3HG2 ILE 3 3HG2 ILE 3 1.341 7.863 0.761 23 1HD1 ILE 3 1HD1 ILE 3 2.760 5.100 -2.169 24 2HD1 ILE 3 2HD1 ILE 3 1.382 5.985 -1.473 25 3HD1 ILE 3 3HD1 ILE 3 2.524 6.822 -2.552 26 H TYR 4 HN TYR 4 4.320 7.078 3.298 27 HA TYR 4 HA TYR 4 2.741 5.966 5.571 28 1HB TYR 4 1HB TYR 4 5.524 7.158 5.467 29 2HB TYR 4 2HB TYR 4 4.610 6.988 6.975 30 HD1 TYR 4 HD1 TYR 4 4.108 4.765 7.901 31 HD2 TYR 4 HD2 TYR 4 6.473 5.236 4.345 32 HE1 TYR 4 HE1 TYR 4 4.901 2.425 8.117 33 HE2 TYR 4 HE2 TYR 4 7.264 2.896 4.562 34 HH TYR 4 HH TYR 4 6.523 0.893 7.373 35 H VAL 5 HN VAL 5 0.958 7.456 4.880 36 HA VAL 5 HA VAL 5 1.604 10.273 5.050 37 HB VAL 5 HB VAL 5 -0.901 8.707 4.427 38 1HG1 VAL 5 1HG1 VAL 5 -1.489 11.254 3.655 39 2HG1 VAL 5 2HG1 VAL 5 -2.008 10.521 5.193 40 3HG1 VAL 5 3HG1 VAL 5 -0.561 11.557 5.144 41 1HG2 VAL 5 1HG2 VAL 5 1.288 9.890 2.856 42 2HG2 VAL 5 2HG2 VAL 5 0.115 8.624 2.422 43 3HG2 VAL 5 3HG2 VAL 5 -0.337 10.340 2.284 44 H CYS 6 HN CYS 6 1.724 11.268 6.990 45 HA CYS 6 HA CYS 6 1.140 10.146 9.379 46 1HB CYS 6 1HB CYS 6 2.413 12.254 8.959 47 2HB CYS 6 2HB CYS 6 0.889 13.092 8.743 48 H THR 7 HN THR 7 -0.683 10.403 10.897 49 HA THR 7 HA THR 7 -3.227 10.832 9.475 50 HB THR 7 HB THR 7 -4.091 9.249 11.299 51 HG1 THR 7 HG1 THR 7 -2.225 9.686 12.722 52 1HG2 THR 7 1HG2 THR 7 -1.814 8.285 9.495 53 2HG2 THR 7 2HG2 THR 7 -2.853 7.189 10.435 54 3HG2 THR 7 3HG2 THR 7 -3.557 8.199 9.149 55 H VAL 8 HN VAL 8 -1.270 12.745 10.973 56 HA VAL 8 HA VAL 8 -3.282 13.729 12.875 57 HB VAL 8 HB VAL 8 -0.280 13.789 12.839 58 1HG1 VAL 8 1HG1 VAL 8 -2.131 15.730 14.240 59 2HG1 VAL 8 2HG1 VAL 8 -0.488 15.383 14.829 60 3HG1 VAL 8 3HG1 VAL 8 -0.724 16.082 13.209 61 1HG2 VAL 8 1HG2 VAL 8 -1.135 11.955 14.058 62 2HG2 VAL 8 2HG2 VAL 8 -0.712 13.173 15.285 63 3HG2 VAL 8 3HG2 VAL 8 -2.412 12.940 14.810 64 H CYS 9 HN CYS 9 -0.716 14.762 10.520 65 HA CYS 9 HA CYS 9 -2.312 17.177 10.095 66 1HB CYS 9 1HB CYS 9 -0.096 17.928 8.953 67 2HB CYS 9 2HB CYS 9 -0.272 17.998 10.695 68 H GLY 10 HN GLY 10 -1.185 14.136 8.797 69 1HA GLY 10 HA1 GLY 10 -2.070 13.143 6.899 70 2HA GLY 10 HA2 GLY 10 -2.528 14.711 6.267 71 H TYR 11 HN TYR 11 0.582 14.782 7.616 72 HA TYR 11 HA TYR 11 2.002 15.596 5.442 73 1HB TYR 11 1HB TYR 11 2.833 15.404 7.782 74 2HB TYR 11 2HB TYR 11 3.011 13.656 7.549 75 HD1 TYR 11 HD1 TYR 11 5.328 13.317 7.713 76 HD2 TYR 11 HD2 TYR 11 3.811 16.409 5.147 77 HE1 TYR 11 HE1 TYR 11 7.605 13.669 6.794 78 HE2 TYR 11 HE2 TYR 11 6.088 16.762 4.227 79 HH TYR 11 HH TYR 11 8.940 15.227 5.575 80 H GLU 12 HN GLU 12 3.531 14.509 3.910 81 HA GLU 12 HA GLU 12 2.636 11.784 3.372 82 1HB GLU 12 1HB GLU 12 2.775 14.166 1.581 83 2HB GLU 12 2HB GLU 12 3.393 12.679 0.890 84 1HG GLU 12 1HG GLU 12 1.136 11.650 1.914 85 2HG GLU 12 2HG GLU 12 0.595 13.316 1.835 86 HE2 GLU 12 HE2 GLU 12 -0.767 12.038 0.306 87 H TYR 13 HN TYR 13 4.207 10.317 3.274 88 HA TYR 13 HA TYR 13 7.018 11.295 3.198 89 1HB TYR 13 1HB TYR 13 6.170 10.071 5.238 90 2HB TYR 13 2HB TYR 13 5.947 8.644 4.211 91 HD1 TYR 13 HD1 TYR 13 7.615 7.057 4.338 92 HD2 TYR 13 HD2 TYR 13 8.641 11.197 4.853 93 HE1 TYR 13 HE1 TYR 13 9.986 6.425 4.701 94 HE2 TYR 13 HE2 TYR 13 11.011 10.564 5.217 95 HH TYR 13 HH TYR 13 12.572 8.703 4.754 96 H ASP 14 HN ASP 14 8.608 10.014 1.936 97 HA ASP 14 HA ASP 14 7.290 8.349 -0.053 98 1HB ASP 14 1HB ASP 14 7.991 10.795 -0.770 99 2HB ASP 14 2HB ASP 14 9.624 10.162 -0.752 100 HD2 ASP 14 HD2 ASP 14 9.910 8.264 -2.507 101 HA PRO 15 HA PRO 15 10.435 5.912 2.337 102 1HB PRO 15 1HB PRO 15 9.300 4.052 0.210 103 2HB PRO 15 2HB PRO 15 9.707 3.742 1.929 104 1HG PRO 15 1HG PRO 15 7.207 4.269 1.184 105 2HG PRO 15 2HG PRO 15 7.712 4.794 2.823 106 1HD PRO 15 HD2 PRO 15 7.094 6.408 0.404 107 2HD PRO 15 HD3 PRO 15 7.320 6.957 2.093 108 H ALA 16 HN ALA 16 12.476 6.703 1.680 109 HA ALA 16 HA ALA 16 13.676 5.451 -0.535 110 1HB ALA 16 1HB ALA 16 14.114 7.673 -1.774 111 2HB ALA 16 2HB ALA 16 12.511 6.929 -1.975 112 3HB ALA 16 3HB ALA 16 12.720 8.308 -0.868 113 H PHE 17 HN PHE 17 14.038 5.830 2.338 114 HA PHE 17 HA PHE 17 16.398 7.563 2.371 115 1HB PHE 17 1HB PHE 17 16.029 7.354 4.881 116 2HB PHE 17 2HB PHE 17 14.634 8.025 4.060 117 HD1 PHE 17 HD1 PHE 17 15.907 5.247 6.000 118 HD2 PHE 17 HD2 PHE 17 12.627 6.612 3.680 119 HE1 PHE 17 HE1 PHE 17 14.459 3.454 6.993 120 HE2 PHE 17 HE2 PHE 17 11.179 4.819 4.674 121 HZ PHE 17 HZ PHE 17 12.112 3.261 6.318 122 H GLU 18 HN GLU 18 18.021 6.647 4.233 123 HA GLU 18 HA GLU 18 18.339 3.804 3.689 124 1HB GLU 18 1HB GLU 18 19.885 5.320 2.304 125 2HB GLU 18 2HB GLU 18 20.660 5.771 3.810 126 1HG GLU 18 1HG GLU 18 21.726 3.747 4.026 127 2HG GLU 18 2HG GLU 18 20.335 2.837 3.469 128 HE2 GLU 18 HE2 GLU 18 21.802 5.119 0.857 129 H ASP 19 HN ASP 19 18.331 2.666 5.575 130 HA ASP 19 HA ASP 19 18.342 2.250 7.713 131 1HB ASP 19 1HB ASP 19 20.967 3.305 7.003 132 2HB ASP 19 2HB ASP 19 20.618 3.687 8.677 133 HD2 ASP 19 HD2 ASP 19 21.932 0.198 7.732 134 H LEU 20 HN LEU 20 16.465 3.529 8.356 135 HA LEU 20 HA LEU 20 16.963 6.265 9.193 136 1HB LEU 20 1HB LEU 20 15.031 6.110 7.933 137 2HB LEU 20 2HB LEU 20 14.542 4.591 8.655 138 HG LEU 20 HG LEU 20 14.528 6.382 10.796 139 1HD1 LEU 20 1HD1 LEU 20 14.734 8.151 8.930 140 2HD1 LEU 20 2HD1 LEU 20 13.041 7.742 8.560 141 3HD1 LEU 20 3HD1 LEU 20 13.475 8.362 10.170 142 1HD2 LEU 20 1HD2 LEU 20 12.929 4.478 9.966 143 2HD2 LEU 20 2HD2 LEU 20 12.314 5.796 10.993 144 3HD2 LEU 20 3HD2 LEU 20 12.030 5.829 9.235 145 HA PRO 21 HA PRO 21 17.595 5.440 13.420 146 1HB PRO 21 1HB PRO 21 16.303 7.635 14.513 147 2HB PRO 21 2HB PRO 21 17.880 7.724 13.663 148 1HG PRO 21 1HG PRO 21 15.124 8.264 12.447 149 2HG PRO 21 2HG PRO 21 16.577 9.313 12.353 150 1HD PRO 21 HD2 PRO 21 16.036 7.609 10.346 151 2HD PRO 21 HD3 PRO 21 17.712 7.699 10.966 152 H ASP 22 HN ASP 22 16.247 5.228 15.572 153 HA ASP 22 HA ASP 22 13.724 4.033 14.778 154 1HB ASP 22 1HB ASP 22 13.943 3.060 17.209 155 2HB ASP 22 2HB ASP 22 14.944 2.396 15.934 156 HD2 ASP 22 HD2 ASP 22 16.737 3.492 19.098 157 H ASP 23 HN ASP 23 13.352 6.684 14.795 158 HA ASP 23 HA ASP 23 11.507 7.170 16.727 159 1HB ASP 23 1HB ASP 23 14.290 7.920 17.514 160 2HB ASP 23 2HB ASP 23 13.097 9.182 17.745 161 HD2 ASP 23 HD2 ASP 23 11.086 6.922 19.536 162 H TRP 24 HN TRP 24 10.944 7.729 14.341 163 HA TRP 24 HA TRP 24 12.067 10.271 13.463 164 1HB TRP 24 1HB TRP 24 11.828 8.243 11.957 165 2HB TRP 24 2HB TRP 24 10.097 8.507 12.012 166 HD1 TRP 24 HD1 TRP 24 13.064 10.990 11.353 167 HE1 TRP 24 HE1 TRP 24 12.583 12.440 9.202 168 HE3 TRP 24 HE3 TRP 24 8.594 8.828 10.256 169 HZ2 TRP 24 HZ2 TRP 24 10.434 12.518 7.324 170 HZ3 TRP 24 HZ3 TRP 24 7.369 9.650 8.246 171 HH2 TRP 24 HH2 TRP 24 8.220 11.429 6.804 172 H ALA 25 HN ALA 25 10.795 12.163 13.287 173 HA ALA 25 HA ALA 25 8.068 11.931 14.356 174 1HB ALA 25 1HB ALA 25 10.017 12.877 15.890 175 2HB ALA 25 2HB ALA 25 9.765 14.349 14.922 176 3HB ALA 25 3HB ALA 25 8.419 13.659 15.861 177 H CYS 26 HN CYS 26 6.507 13.123 13.267 178 HA CYS 26 HA CYS 26 6.991 13.807 10.651 179 1HB CYS 26 1HB CYS 26 4.780 13.369 11.931 180 2HB CYS 26 2HB CYS 26 4.799 15.090 12.263 181 HA PRO 27 HA PRO 27 9.111 17.675 11.090 182 1HB PRO 27 1HB PRO 27 8.979 18.467 8.476 183 2HB PRO 27 2HB PRO 27 9.980 17.075 9.004 184 1HG PRO 27 1HG PRO 27 7.111 16.924 7.800 185 2HG PRO 27 2HG PRO 27 8.643 16.103 7.353 186 1HD PRO 27 HD2 PRO 27 6.781 14.986 9.057 187 2HD PRO 27 HD3 PRO 27 8.538 14.715 9.263 188 H VAL 28 HN VAL 28 5.763 17.182 10.650 189 HA VAL 28 HA VAL 28 5.309 20.078 10.466 190 HB VAL 28 HB VAL 28 3.457 17.756 9.895 191 1HG1 VAL 28 1HG1 VAL 28 2.938 20.551 10.416 192 2HG1 VAL 28 2HG1 VAL 28 2.476 20.138 8.748 193 3HG1 VAL 28 3HG1 VAL 28 1.791 19.224 10.114 194 1HG2 VAL 28 1HG2 VAL 28 5.019 19.607 8.076 195 2HG2 VAL 28 2HG2 VAL 28 5.075 17.829 8.153 196 3HG2 VAL 28 3HG2 VAL 28 3.625 18.646 7.522 197 H CYS 29 HN CYS 29 2.997 17.646 11.668 198 HA CYS 29 HA CYS 29 2.248 19.070 13.853 199 1HB CYS 29 1HB CYS 29 1.408 16.919 14.772 200 2HB CYS 29 2HB CYS 29 0.920 17.255 13.122 201 H GLY 30 HN GLY 30 4.759 16.457 13.596 202 1HA GLY 30 HA1 GLY 30 6.844 16.743 14.731 203 2HA GLY 30 HA2 GLY 30 6.005 17.551 16.041 204 H ALA 31 HN ALA 31 3.787 15.279 15.369 205 HA ALA 31 HA ALA 31 4.266 13.729 17.590 206 1HB ALA 31 1HB ALA 31 2.766 12.086 16.004 207 2HB ALA 31 2HB ALA 31 2.109 13.472 16.908 208 3HB ALA 31 3HB ALA 31 2.524 13.649 15.187 209 H SER 32 HN SER 32 4.684 11.291 17.613 210 HA SER 32 HA SER 32 7.132 10.882 16.182 211 1HB SER 32 1HB SER 32 7.393 8.915 17.627 212 2HB SER 32 2HB SER 32 6.955 10.311 18.591 213 HG SER 32 HG SER 32 4.616 9.370 18.095 214 H LYS 33 HN LYS 33 7.405 8.346 15.472 215 HA LYS 33 HA LYS 33 5.510 8.032 13.354 216 1HB LYS 33 1HB LYS 33 7.924 7.646 13.047 217 2HB LYS 33 2HB LYS 33 7.871 6.322 14.193 218 1HG LYS 33 1HG LYS 33 6.314 5.068 12.754 219 2HG LYS 33 2HG LYS 33 6.179 6.423 11.653 220 1HD LYS 33 HD2 LYS 33 8.900 5.218 12.245 221 2HD LYS 33 HD3 LYS 33 7.838 4.451 11.082 222 1HE LYS 33 2HE LYS 33 7.671 7.057 10.230 223 2HE LYS 33 3HE LYS 33 9.292 7.059 10.894 224 1HZ LYS 33 HZ1 LYS 33 9.315 6.366 8.571 225 2HZ LYS 33 HZ2 LYS 33 9.794 5.111 9.494 226 H ASP 34 HN ASP 34 3.868 7.979 15.415 227 HA ASP 34 HA ASP 34 3.498 5.143 15.985 228 1HB ASP 34 1HB ASP 34 3.844 6.598 17.989 229 2HB ASP 34 2HB ASP 34 2.491 7.598 17.501 230 HD2 ASP 34 HD2 ASP 34 0.897 6.202 19.785 231 H ALA 35 HN ALA 35 1.840 8.324 15.369 232 HA ALA 35 HA ALA 35 -0.694 7.158 14.886 233 1HB ALA 35 1HB ALA 35 0.056 9.601 15.549 234 2HB ALA 35 2HB ALA 35 0.160 9.831 13.787 235 3HB ALA 35 3HB ALA 35 -1.384 9.353 14.534 236 H PHE 36 HN PHE 36 2.240 7.627 12.997 237 HA PHE 36 HA PHE 36 1.135 7.703 10.450 238 1HB PHE 36 1HB PHE 36 3.717 6.729 11.762 239 2HB PHE 36 2HB PHE 36 3.502 6.483 10.040 240 HD1 PHE 36 HD1 PHE 36 3.727 9.067 12.671 241 HD2 PHE 36 HD2 PHE 36 3.782 8.267 8.504 242 HE1 PHE 36 HE1 PHE 36 4.542 11.400 12.235 243 HE2 PHE 36 HE2 PHE 36 4.597 10.602 8.067 244 HZ PHE 36 HZ PHE 36 4.968 12.139 9.938 245 H GLU 37 HN GLU 37 0.318 6.172 9.058 246 HA GLU 37 HA GLU 37 0.529 3.411 9.971 247 1HB GLU 37 1HB GLU 37 -1.789 4.707 10.212 248 2HB GLU 37 2HB GLU 37 -1.931 4.360 8.501 249 1HG GLU 37 1HG GLU 37 -2.051 2.046 8.827 250 2HG GLU 37 2HG GLU 37 -1.108 2.092 10.304 251 HE2 GLU 37 HE2 GLU 37 -4.494 3.113 9.320 252 H LYS 38 HN LYS 38 0.493 1.781 8.241 253 HA LYS 38 HA LYS 38 1.723 2.826 5.847 254 1HB LYS 38 1HB LYS 38 2.487 0.788 7.237 255 2HB LYS 38 2HB LYS 38 1.169 -0.075 6.470 256 1HG LYS 38 1HG LYS 38 3.091 1.519 4.754 257 2HG LYS 38 2HG LYS 38 3.582 -0.051 5.356 258 1HD LYS 38 HD2 LYS 38 0.849 0.063 4.140 259 2HD LYS 38 HD3 LYS 38 2.180 0.318 3.029 260 1HE LYS 38 2HE LYS 38 1.776 -2.055 3.046 261 2HE LYS 38 3HE LYS 38 3.253 -1.812 3.958 262 1HZ LYS 38 HZ1 LYS 38 2.225 -2.405 5.896 263 2HZ LYS 38 HZ2 LYS 38 0.787 -1.744 5.510 264 H GLN 39 HN GLN 39 0.357 3.694 4.362 265 HA GLN 39 HA GLN 39 -1.738 1.940 3.433 266 1HB GLN 39 1HB GLN 39 -2.295 4.191 5.085 267 2HB GLN 39 2HB GLN 39 -2.750 4.669 3.462 268 1HG GLN 39 1HG GLN 39 -4.713 3.627 4.252 269 2HG GLN 39 2HG GLN 39 -3.955 2.347 3.324 270 1HE2 GLN 39 1HE2 GLN 39 -3.755 0.462 4.249 271 2HE2 GLN 39 2HE2 GLN 39 -3.742 0.119 5.948 Start of MODEL 12 1 1H MET 1 HN MET 1 6.217 3.380 -3.653 2 HA MET 1 HA MET 1 4.839 1.421 -3.587 3 1HB MET 1 1HB MET 1 7.595 0.214 -3.254 4 2HB MET 1 2HB MET 1 6.272 -0.584 -2.428 5 1HG MET 1 1HG MET 1 5.138 -1.098 -4.454 6 2HG MET 1 2HG MET 1 5.975 0.149 -5.356 7 1HE MET 1 1HE MET 1 5.609 -3.408 -5.341 8 2HE MET 1 2HE MET 1 7.147 -4.155 -4.849 9 3HE MET 1 3HE MET 1 6.154 -3.291 -3.651 10 H ASP 2 HN ASP 2 3.685 1.064 -1.653 11 HA ASP 2 HA ASP 2 3.123 1.283 0.429 12 1HB ASP 2 1HB ASP 2 5.998 0.668 0.608 13 2HB ASP 2 2HB ASP 2 5.465 1.639 1.966 14 HD2 ASP 2 HD2 ASP 2 5.264 0.096 3.586 15 H ILE 3 HN ILE 3 2.470 3.117 1.654 16 HA ILE 3 HA ILE 3 4.212 5.456 1.583 17 HB ILE 3 HB ILE 3 1.399 5.298 0.535 18 1HG1 ILE 3 2HG1 ILE 3 3.618 6.863 -0.718 19 2HG1 ILE 3 3HG1 ILE 3 3.688 5.115 -0.822 20 1HG2 ILE 3 1HG2 ILE 3 1.460 7.810 0.472 21 2HG2 ILE 3 2HG2 ILE 3 1.276 7.094 2.091 22 3HG2 ILE 3 3HG2 ILE 3 2.854 7.737 1.576 23 1HD1 ILE 3 1HD1 ILE 3 2.486 5.859 -2.769 24 2HD1 ILE 3 2HD1 ILE 3 1.265 5.174 -1.670 25 3HD1 ILE 3 3HD1 ILE 3 1.454 6.939 -1.802 26 H TYR 4 HN TYR 4 4.106 6.704 3.383 27 HA TYR 4 HA TYR 4 2.316 5.699 5.549 28 1HB TYR 4 1HB TYR 4 5.194 6.583 5.505 29 2HB TYR 4 2HB TYR 4 4.235 6.774 6.982 30 HD1 TYR 4 HD1 TYR 4 2.981 4.648 7.834 31 HD2 TYR 4 HD2 TYR 4 6.270 4.561 5.073 32 HE1 TYR 4 HE1 TYR 4 3.408 2.275 8.419 33 HE2 TYR 4 HE2 TYR 4 6.697 2.189 5.657 34 HH TYR 4 HH TYR 4 6.248 0.549 7.393 35 H VAL 5 HN VAL 5 0.585 7.203 5.285 36 HA VAL 5 HA VAL 5 1.343 10.014 5.197 37 HB VAL 5 HB VAL 5 -1.311 8.592 4.914 38 1HG1 VAL 5 1HG1 VAL 5 -2.395 10.564 4.868 39 2HG1 VAL 5 2HG1 VAL 5 -0.971 11.188 5.736 40 3HG1 VAL 5 3HG1 VAL 5 -1.088 11.374 3.970 41 1HG2 VAL 5 1HG2 VAL 5 -0.525 10.031 2.573 42 2HG2 VAL 5 2HG2 VAL 5 0.838 9.002 3.078 43 3HG2 VAL 5 3HG2 VAL 5 -0.761 8.278 2.778 44 H CYS 6 HN CYS 6 1.473 11.208 7.022 45 HA CYS 6 HA CYS 6 1.075 10.137 9.519 46 1HB CYS 6 1HB CYS 6 2.431 12.154 8.927 47 2HB CYS 6 2HB CYS 6 0.943 13.068 8.788 48 H THR 7 HN THR 7 -0.625 10.581 11.143 49 HA THR 7 HA THR 7 -3.229 11.087 9.863 50 HB THR 7 HB THR 7 -4.054 9.648 11.822 51 HG1 THR 7 HG1 THR 7 -2.068 10.027 13.088 52 1HG2 THR 7 1HG2 THR 7 -2.009 8.504 9.860 53 2HG2 THR 7 2HG2 THR 7 -2.939 7.479 10.979 54 3HG2 THR 7 3HG2 THR 7 -3.783 8.434 9.737 55 H VAL 8 HN VAL 8 -1.058 12.931 11.167 56 HA VAL 8 HA VAL 8 -2.890 14.124 13.131 57 HB VAL 8 HB VAL 8 0.117 14.296 12.856 58 1HG1 VAL 8 1HG1 VAL 8 -1.411 16.326 13.765 59 2HG1 VAL 8 2HG1 VAL 8 -1.255 15.377 15.263 60 3HG1 VAL 8 3HG1 VAL 8 0.202 15.948 14.415 61 1HG2 VAL 8 1HG2 VAL 8 -1.675 12.525 14.331 62 2HG2 VAL 8 2HG2 VAL 8 0.078 12.400 14.045 63 3HG2 VAL 8 3HG2 VAL 8 -0.534 13.376 15.402 64 H CYS 9 HN CYS 9 -0.442 14.891 10.559 65 HA CYS 9 HA CYS 9 -1.934 17.371 10.115 66 1HB CYS 9 1HB CYS 9 0.241 17.966 8.824 67 2HB CYS 9 2HB CYS 9 0.178 18.106 10.569 68 H GLY 10 HN GLY 10 -1.072 14.214 8.922 69 1HA GLY 10 HA1 GLY 10 -2.119 13.192 7.125 70 2HA GLY 10 HA2 GLY 10 -2.499 14.755 6.429 71 H TYR 11 HN TYR 11 0.670 14.698 7.619 72 HA TYR 11 HA TYR 11 2.024 15.279 5.332 73 1HB TYR 11 1HB TYR 11 2.937 15.161 7.663 74 2HB TYR 11 2HB TYR 11 3.041 13.401 7.489 75 HD1 TYR 11 HD1 TYR 11 5.327 12.919 7.493 76 HD2 TYR 11 HD2 TYR 11 3.845 16.096 5.011 77 HE1 TYR 11 HE1 TYR 11 7.568 13.153 6.455 78 HE2 TYR 11 HE2 TYR 11 6.085 16.330 3.973 79 HH TYR 11 HH TYR 11 8.834 14.235 4.894 80 H GLU 12 HN GLU 12 3.415 13.996 3.816 81 HA GLU 12 HA GLU 12 2.376 11.287 3.531 82 1HB GLU 12 1HB GLU 12 2.212 13.533 1.647 83 2HB GLU 12 2HB GLU 12 3.023 12.155 0.930 84 1HG GLU 12 1HG GLU 12 1.119 10.680 1.602 85 2HG GLU 12 2HG GLU 12 0.310 12.051 2.332 86 HE2 GLU 12 HE2 GLU 12 -0.883 13.453 0.603 87 H TYR 13 HN TYR 13 3.989 9.922 3.854 88 HA TYR 13 HA TYR 13 6.762 10.774 3.264 89 1HB TYR 13 1HB TYR 13 6.196 9.882 5.507 90 2HB TYR 13 2HB TYR 13 5.677 8.363 4.758 91 HD1 TYR 13 HD1 TYR 13 7.189 6.613 4.680 92 HD2 TYR 13 HD2 TYR 13 8.667 10.643 4.829 93 HE1 TYR 13 HE1 TYR 13 9.512 5.756 4.804 94 HE2 TYR 13 HE2 TYR 13 10.991 9.787 4.952 95 HH TYR 13 HH TYR 13 12.239 7.761 5.540 96 H ASP 14 HN ASP 14 8.237 9.253 2.097 97 HA ASP 14 HA ASP 14 6.730 7.413 0.426 98 1HB ASP 14 1HB ASP 14 7.458 9.723 -0.641 99 2HB ASP 14 2HB ASP 14 9.064 9.022 -0.659 100 HD2 ASP 14 HD2 ASP 14 9.527 7.932 -2.370 101 HA PRO 15 HA PRO 15 9.870 5.029 2.804 102 1HB PRO 15 1HB PRO 15 8.655 3.130 0.743 103 2HB PRO 15 2HB PRO 15 9.150 2.835 2.441 104 1HG PRO 15 1HG PRO 15 6.604 3.394 1.791 105 2HG PRO 15 2HG PRO 15 7.161 4.012 3.381 106 1HD PRO 15 HD2 PRO 15 6.533 5.478 0.865 107 2HD PRO 15 HD3 PRO 15 6.770 6.126 2.516 108 H ALA 16 HN ALA 16 11.780 6.109 1.948 109 HA ALA 16 HA ALA 16 13.319 4.652 0.226 110 1HB ALA 16 1HB ALA 16 11.282 6.000 -1.220 111 2HB ALA 16 2HB ALA 16 12.790 6.894 -1.525 112 3HB ALA 16 3HB ALA 16 12.702 5.151 -1.876 113 H PHE 17 HN PHE 17 14.287 5.489 2.366 114 HA PHE 17 HA PHE 17 15.718 7.955 1.728 115 1HB PHE 17 1HB PHE 17 14.088 7.148 4.176 116 2HB PHE 17 2HB PHE 17 15.478 8.189 4.412 117 HD1 PHE 17 HD1 PHE 17 12.414 7.957 2.290 118 HD2 PHE 17 HD2 PHE 17 15.173 10.476 4.302 119 HE1 PHE 17 HE1 PHE 17 11.018 9.957 1.700 120 HE2 PHE 17 HE2 PHE 17 13.776 12.477 3.713 121 HZ PHE 17 HZ PHE 17 11.716 12.193 2.419 122 H GLU 18 HN GLU 18 17.385 8.145 3.901 123 HA GLU 18 HA GLU 18 18.592 5.498 4.061 124 1HB GLU 18 1HB GLU 18 19.791 6.928 2.386 125 2HB GLU 18 2HB GLU 18 20.091 8.121 3.634 126 1HG GLU 18 1HG GLU 18 21.040 5.867 4.886 127 2HG GLU 18 2HG GLU 18 21.365 5.450 3.215 128 HE2 GLU 18 HE2 GLU 18 22.586 6.967 2.042 129 H ASP 19 HN ASP 19 18.943 4.854 6.146 130 HA ASP 19 HA ASP 19 19.426 4.948 8.274 131 1HB ASP 19 1HB ASP 19 20.540 7.385 7.386 132 2HB ASP 19 2HB ASP 19 19.521 7.859 8.729 133 HD2 ASP 19 HD2 ASP 19 22.808 7.467 9.580 134 H LEU 20 HN LEU 20 17.343 4.332 9.028 135 HA LEU 20 HA LEU 20 15.527 6.559 9.634 136 1HB LEU 20 1HB LEU 20 14.906 4.941 7.723 137 2HB LEU 20 2HB LEU 20 14.603 3.773 8.993 138 HG LEU 20 HG LEU 20 13.293 6.457 9.198 139 1HD1 LEU 20 1HD1 LEU 20 11.463 4.808 7.841 140 2HD1 LEU 20 2HD1 LEU 20 12.236 6.302 7.255 141 3HD1 LEU 20 3HD1 LEU 20 12.983 4.722 6.918 142 1HD2 LEU 20 1HD2 LEU 20 11.826 3.947 9.727 143 2HD2 LEU 20 2HD2 LEU 20 13.231 4.256 10.776 144 3HD2 LEU 20 3HD2 LEU 20 11.917 5.454 10.670 145 HA PRO 21 HA PRO 21 17.094 4.855 13.586 146 1HB PRO 21 1HB PRO 21 15.849 7.535 14.291 147 2HB PRO 21 2HB PRO 21 17.373 6.772 14.851 148 1HG PRO 21 1HG PRO 21 17.498 8.719 12.907 149 2HG PRO 21 2HG PRO 21 18.527 7.253 12.816 150 1HD PRO 21 HD2 PRO 21 15.861 7.875 11.452 151 2HD PRO 21 HD3 PRO 21 17.332 7.131 10.755 152 H ASP 22 HN ASP 22 15.772 4.662 15.766 153 HA ASP 22 HA ASP 22 13.094 3.938 14.946 154 1HB ASP 22 1HB ASP 22 13.149 2.874 17.347 155 2HB ASP 22 2HB ASP 22 14.063 2.113 16.059 156 HD2 ASP 22 HD2 ASP 22 15.382 4.030 19.161 157 H ASP 23 HN ASP 23 13.560 6.734 15.204 158 HA ASP 23 HA ASP 23 11.713 7.334 17.271 159 1HB ASP 23 1HB ASP 23 13.418 9.236 18.069 160 2HB ASP 23 2HB ASP 23 13.418 7.647 18.809 161 HD2 ASP 23 HD2 ASP 23 15.628 6.749 18.814 162 H TRP 24 HN TRP 24 11.407 7.561 14.535 163 HA TRP 24 HA TRP 24 12.273 10.173 13.660 164 1HB TRP 24 1HB TRP 24 12.170 8.071 12.229 165 2HB TRP 24 2HB TRP 24 10.427 8.261 12.236 166 HD1 TRP 24 HD1 TRP 24 13.264 10.893 11.589 167 HE1 TRP 24 HE1 TRP 24 12.784 12.226 9.362 168 HE3 TRP 24 HE3 TRP 24 9.003 8.390 10.387 169 HZ2 TRP 24 HZ2 TRP 24 10.724 12.087 7.392 170 HZ3 TRP 24 HZ3 TRP 24 7.819 9.051 8.296 171 HH2 TRP 24 HH2 TRP 24 8.613 10.831 6.820 172 H ALA 25 HN ALA 25 10.893 11.979 13.384 173 HA ALA 25 HA ALA 25 8.150 11.623 14.363 174 1HB ALA 25 1HB ALA 25 10.322 13.055 15.627 175 2HB ALA 25 2HB ALA 25 9.058 14.204 15.128 176 3HB ALA 25 3HB ALA 25 8.647 12.834 16.188 177 H CYS 26 HN CYS 26 6.603 12.678 13.149 178 HA CYS 26 HA CYS 26 7.095 13.374 10.591 179 1HB CYS 26 1HB CYS 26 4.875 13.042 11.845 180 2HB CYS 26 2HB CYS 26 4.959 14.755 12.207 181 HA PRO 27 HA PRO 27 9.861 16.866 11.221 182 1HB PRO 27 1HB PRO 27 9.147 16.983 8.262 183 2HB PRO 27 2HB PRO 27 10.725 17.197 9.087 184 1HG PRO 27 1HG PRO 27 10.112 14.832 7.945 185 2HG PRO 27 2HG PRO 27 10.972 14.766 9.519 186 1HD PRO 27 HD2 PRO 27 8.036 14.368 8.857 187 2HD PRO 27 HD3 PRO 27 9.025 13.594 10.132 188 H VAL 28 HN VAL 28 6.527 16.739 10.011 189 HA VAL 28 HA VAL 28 6.342 19.614 9.854 190 HB VAL 28 HB VAL 28 4.314 17.387 9.586 191 1HG1 VAL 28 1HG1 VAL 28 4.044 20.370 9.507 192 2HG1 VAL 28 2HG1 VAL 28 3.072 19.395 8.378 193 3HG1 VAL 28 3HG1 VAL 28 2.925 19.136 10.134 194 1HG2 VAL 28 1HG2 VAL 28 6.336 18.113 7.848 195 2HG2 VAL 28 2HG2 VAL 28 4.835 17.262 7.405 196 3HG2 VAL 28 3HG2 VAL 28 4.939 19.031 7.234 197 H CYS 29 HN CYS 29 3.897 17.542 11.438 198 HA CYS 29 HA CYS 29 3.483 19.365 13.482 199 1HB CYS 29 1HB CYS 29 2.209 17.532 14.569 200 2HB CYS 29 2HB CYS 29 1.753 17.858 12.910 201 H GLY 30 HN GLY 30 5.391 16.287 13.303 202 1HA GLY 30 HA1 GLY 30 7.540 16.265 14.401 203 2HA GLY 30 HA2 GLY 30 6.835 17.158 15.733 204 H ALA 31 HN ALA 31 4.265 15.344 15.152 205 HA ALA 31 HA ALA 31 4.424 13.706 17.283 206 1HB ALA 31 1HB ALA 31 3.071 12.825 14.721 207 2HB ALA 31 2HB ALA 31 2.520 12.622 16.401 208 3HB ALA 31 3HB ALA 31 2.486 14.231 15.641 209 H SER 32 HN SER 32 4.631 11.276 17.425 210 HA SER 32 HA SER 32 7.129 10.564 16.307 211 1HB SER 32 1HB SER 32 6.599 8.338 17.510 212 2HB SER 32 2HB SER 32 6.760 9.770 18.507 213 HG SER 32 HG SER 32 4.708 8.123 18.498 214 H LYS 33 HN LYS 33 7.322 8.178 15.345 215 HA LYS 33 HA LYS 33 5.551 8.146 13.060 216 1HB LYS 33 1HB LYS 33 7.124 6.453 12.199 217 2HB LYS 33 2HB LYS 33 7.921 7.945 12.654 218 1HG LYS 33 1HG LYS 33 9.276 6.790 14.054 219 2HG LYS 33 2HG LYS 33 7.883 6.313 15.004 220 1HD LYS 33 HD2 LYS 33 7.700 4.609 12.805 221 2HD LYS 33 HD3 LYS 33 9.435 4.749 13.017 222 1HE LYS 33 2HE LYS 33 9.195 3.132 14.613 223 2HE LYS 33 3HE LYS 33 8.597 4.421 15.640 224 1HZ LYS 33 HZ1 LYS 33 7.167 2.228 14.927 225 2HZ LYS 33 HZ2 LYS 33 6.509 3.599 15.508 226 H ASP 34 HN ASP 34 4.021 7.695 15.281 227 HA ASP 34 HA ASP 34 3.691 4.798 15.232 228 1HB ASP 34 1HB ASP 34 4.204 5.770 17.479 229 2HB ASP 34 2HB ASP 34 2.818 6.832 17.338 230 HD2 ASP 34 HD2 ASP 34 0.900 5.912 18.236 231 H ALA 35 HN ALA 35 2.121 8.054 15.221 232 HA ALA 35 HA ALA 35 -0.517 7.117 14.925 233 1HB ALA 35 1HB ALA 35 -0.204 9.702 13.748 234 2HB ALA 35 2HB ALA 35 -0.834 9.296 15.362 235 3HB ALA 35 3HB ALA 35 0.904 9.608 15.138 236 H PHE 36 HN PHE 36 2.226 7.364 12.766 237 HA PHE 36 HA PHE 36 0.866 7.708 10.353 238 1HB PHE 36 1HB PHE 36 3.475 6.432 11.313 239 2HB PHE 36 2HB PHE 36 3.056 6.346 9.613 240 HD1 PHE 36 HD1 PHE 36 3.757 8.697 12.383 241 HD2 PHE 36 HD2 PHE 36 3.381 8.202 8.185 242 HE1 PHE 36 HE1 PHE 36 4.736 10.981 12.026 243 HE2 PHE 36 HE2 PHE 36 4.359 10.486 7.829 244 HZ PHE 36 HZ PHE 36 5.025 11.848 9.753 245 H GLU 37 HN GLU 37 -0.141 6.301 8.931 246 HA GLU 37 HA GLU 37 0.080 3.481 9.479 247 1HB GLU 37 1HB GLU 37 -2.027 4.785 10.622 248 2HB GLU 37 2HB GLU 37 -2.725 4.430 9.055 249 1HG GLU 37 1HG GLU 37 -1.250 2.148 10.271 250 2HG GLU 37 2HG GLU 37 -2.651 2.665 11.190 251 HE2 GLU 37 HE2 GLU 37 -3.254 0.276 10.049 252 H LYS 38 HN LYS 38 -0.625 2.141 7.638 253 HA LYS 38 HA LYS 38 0.091 3.235 5.191 254 1HB LYS 38 1HB LYS 38 0.313 0.884 5.614 255 2HB LYS 38 2HB LYS 38 -1.402 0.706 5.927 256 1HG LYS 38 1HG LYS 38 -1.635 0.185 3.728 257 2HG LYS 38 2HG LYS 38 -1.358 1.881 3.385 258 1HD LYS 38 HD2 LYS 38 0.903 1.551 2.829 259 2HD LYS 38 HD3 LYS 38 1.048 0.108 3.815 260 1HE LYS 38 2HE LYS 38 0.242 -1.281 2.154 261 2HE LYS 38 3HE LYS 38 -0.917 -0.101 1.576 262 1HZ LYS 38 HZ1 LYS 38 1.987 -0.164 0.982 263 2HZ LYS 38 HZ2 LYS 38 0.761 -0.291 -0.082 264 H GLN 39 HN GLN 39 -0.966 4.431 3.690 265 HA GLN 39 HA GLN 39 -3.865 4.564 4.003 266 1HB GLN 39 1HB GLN 39 -2.098 6.653 4.451 267 2HB GLN 39 2HB GLN 39 -2.553 6.928 2.782 268 1HG GLN 39 1HG GLN 39 -4.859 6.230 4.504 269 2HG GLN 39 2HG GLN 39 -4.040 7.689 5.022 270 1HE2 GLN 39 1HE2 GLN 39 -4.560 9.514 4.089 271 2HE2 GLN 39 2HE2 GLN 39 -5.362 9.721 2.567 Start of MODEL 13 1 1H MET 1 HN MET 1 1.411 3.123 -3.284 2 HA MET 1 HA MET 1 3.045 0.768 -3.251 3 1HB MET 1 1HB MET 1 2.902 3.356 -4.682 4 2HB MET 1 2HB MET 1 4.550 2.963 -4.232 5 1HG MET 1 1HG MET 1 2.893 0.760 -5.450 6 2HG MET 1 2HG MET 1 3.425 2.046 -6.516 7 1HE MET 1 1HE MET 1 5.253 1.163 -7.999 8 2HE MET 1 2HE MET 1 5.808 2.604 -7.113 9 3HE MET 1 3HE MET 1 6.902 1.218 -7.331 10 H ASP 2 HN ASP 2 3.166 0.729 -0.811 11 HA ASP 2 HA ASP 2 4.074 1.209 1.115 12 1HB ASP 2 1HB ASP 2 6.560 2.013 -0.449 13 2HB ASP 2 2HB ASP 2 6.496 1.272 1.137 14 HD2 ASP 2 HD2 ASP 2 5.711 -1.910 -0.285 15 H ILE 3 HN ILE 3 2.926 3.137 1.774 16 HA ILE 3 HA ILE 3 4.520 5.570 1.553 17 HB ILE 3 HB ILE 3 1.635 5.272 0.743 18 1HG1 ILE 3 2HG1 ILE 3 3.738 6.750 -0.798 19 2HG1 ILE 3 3HG1 ILE 3 3.746 4.999 -0.831 20 1HG2 ILE 3 1HG2 ILE 3 2.049 7.904 0.434 21 2HG2 ILE 3 2HG2 ILE 3 1.333 7.194 1.900 22 3HG2 ILE 3 3HG2 ILE 3 3.061 7.621 1.870 23 1HD1 ILE 3 1HD1 ILE 3 2.371 6.138 -2.668 24 2HD1 ILE 3 2HD1 ILE 3 1.510 4.897 -1.726 25 3HD1 ILE 3 3HD1 ILE 3 1.230 6.622 -1.390 26 H TYR 4 HN TYR 4 4.462 6.837 3.339 27 HA TYR 4 HA TYR 4 2.879 5.767 5.630 28 1HB TYR 4 1HB TYR 4 5.671 6.877 5.392 29 2HB TYR 4 2HB TYR 4 4.794 6.990 6.927 30 HD1 TYR 4 HD1 TYR 4 3.672 4.705 7.722 31 HD2 TYR 4 HD2 TYR 4 6.995 5.014 5.018 32 HE1 TYR 4 HE1 TYR 4 4.336 2.380 8.272 33 HE2 TYR 4 HE2 TYR 4 7.659 2.689 5.567 34 HH TYR 4 HH TYR 4 7.096 0.766 6.684 35 H VAL 5 HN VAL 5 1.029 7.169 5.178 36 HA VAL 5 HA VAL 5 1.613 10.018 5.187 37 HB VAL 5 HB VAL 5 -0.951 8.458 4.816 38 1HG1 VAL 5 1HG1 VAL 5 -0.504 11.393 4.220 39 2HG1 VAL 5 2HG1 VAL 5 -2.037 10.489 4.250 40 3HG1 VAL 5 3HG1 VAL 5 -1.167 10.812 5.767 41 1HG2 VAL 5 1HG2 VAL 5 -0.233 8.111 2.733 42 2HG2 VAL 5 2HG2 VAL 5 -0.257 9.872 2.475 43 3HG2 VAL 5 3HG2 VAL 5 1.234 9.073 3.028 44 H CYS 6 HN CYS 6 1.563 11.216 7.017 45 HA CYS 6 HA CYS 6 1.155 10.059 9.492 46 1HB CYS 6 1HB CYS 6 2.438 12.151 8.969 47 2HB CYS 6 2HB CYS 6 0.911 12.997 8.824 48 H THR 7 HN THR 7 -0.617 10.458 11.070 49 HA THR 7 HA THR 7 -3.194 10.845 9.694 50 HB THR 7 HB THR 7 -4.007 9.377 11.666 51 HG1 THR 7 HG1 THR 7 -2.073 9.708 12.963 52 1HG2 THR 7 1HG2 THR 7 -3.144 7.258 10.720 53 2HG2 THR 7 2HG2 THR 7 -3.557 8.370 9.391 54 3HG2 THR 7 3HG2 THR 7 -1.856 8.142 9.867 55 H VAL 8 HN VAL 8 -1.127 12.739 11.140 56 HA VAL 8 HA VAL 8 -3.092 13.855 13.015 57 HB VAL 8 HB VAL 8 -0.083 13.959 12.890 58 1HG1 VAL 8 1HG1 VAL 8 -1.920 15.991 13.897 59 2HG1 VAL 8 2HG1 VAL 8 -0.845 15.367 15.170 60 3HG1 VAL 8 3HG1 VAL 8 -0.155 16.053 13.679 61 1HG2 VAL 8 1HG2 VAL 8 -1.439 12.064 14.037 62 2HG2 VAL 8 2HG2 VAL 8 -0.104 12.829 14.934 63 3HG2 VAL 8 3HG2 VAL 8 -1.789 13.286 15.284 64 H CYS 9 HN CYS 9 -0.578 14.725 10.544 65 HA CYS 9 HA CYS 9 -2.118 17.169 10.076 66 1HB CYS 9 1HB CYS 9 0.052 17.858 8.865 67 2HB CYS 9 2HB CYS 9 -0.016 17.912 10.615 68 H GLY 10 HN GLY 10 -1.158 14.042 8.878 69 1HA GLY 10 HA1 GLY 10 -2.098 12.999 7.047 70 2HA GLY 10 HA2 GLY 10 -2.565 14.548 6.375 71 H TYR 11 HN TYR 11 0.610 14.565 7.607 72 HA TYR 11 HA TYR 11 1.952 15.304 5.351 73 1HB TYR 11 1HB TYR 11 2.855 15.135 7.682 74 2HB TYR 11 2HB TYR 11 3.031 13.388 7.443 75 HD1 TYR 11 HD1 TYR 11 5.349 13.041 7.498 76 HD2 TYR 11 HD2 TYR 11 3.728 16.157 5.025 77 HE1 TYR 11 HE1 TYR 11 7.585 13.403 6.487 78 HE2 TYR 11 HE2 TYR 11 5.963 16.519 4.014 79 HH TYR 11 HH TYR 11 8.518 14.387 4.242 80 H GLU 12 HN GLU 12 3.402 14.138 3.796 81 HA GLU 12 HA GLU 12 2.489 11.399 3.407 82 1HB GLU 12 1HB GLU 12 2.189 13.697 1.617 83 2HB GLU 12 2HB GLU 12 3.092 12.413 0.841 84 1HG GLU 12 1HG GLU 12 1.265 10.787 1.565 85 2HG GLU 12 2HG GLU 12 0.344 12.160 2.149 86 HE2 GLU 12 HE2 GLU 12 -0.045 11.170 -1.527 87 H TYR 13 HN TYR 13 4.159 10.088 3.646 88 HA TYR 13 HA TYR 13 6.882 11.094 3.018 89 1HB TYR 13 1HB TYR 13 6.423 10.244 5.304 90 2HB TYR 13 2HB TYR 13 5.968 8.678 4.615 91 HD1 TYR 13 HD1 TYR 13 7.577 7.012 4.401 92 HD2 TYR 13 HD2 TYR 13 8.824 11.113 4.679 93 HE1 TYR 13 HE1 TYR 13 9.946 6.286 4.485 94 HE2 TYR 13 HE2 TYR 13 11.194 10.387 4.762 95 HH TYR 13 HH TYR 13 12.525 8.316 5.375 96 H ASP 14 HN ASP 14 8.423 9.486 1.962 97 HA ASP 14 HA ASP 14 6.944 7.589 0.334 98 1HB ASP 14 1HB ASP 14 7.609 9.887 -0.807 99 2HB ASP 14 2HB ASP 14 9.228 9.215 -0.826 100 HD2 ASP 14 HD2 ASP 14 9.620 8.529 -2.694 101 HA PRO 15 HA PRO 15 10.140 5.314 2.722 102 1HB PRO 15 1HB PRO 15 9.013 3.371 0.651 103 2HB PRO 15 2HB PRO 15 9.499 3.094 2.355 104 1HG PRO 15 1HG PRO 15 7.032 3.548 1.600 105 2HG PRO 15 2HG PRO 15 7.349 4.186 3.245 106 1HD PRO 15 HD2 PRO 15 6.817 5.641 0.735 107 2HD PRO 15 HD3 PRO 15 7.006 6.306 2.387 108 H ALA 16 HN ALA 16 12.075 6.353 1.943 109 HA ALA 16 HA ALA 16 13.511 4.933 0.023 110 1HB ALA 16 1HB ALA 16 11.897 6.026 -1.539 111 2HB ALA 16 2HB ALA 16 12.457 7.614 -0.962 112 3HB ALA 16 3HB ALA 16 13.581 6.532 -1.820 113 H PHE 17 HN PHE 17 14.508 5.246 2.305 114 HA PHE 17 HA PHE 17 16.208 7.625 2.147 115 1HB PHE 17 1HB PHE 17 14.182 6.916 4.091 116 2HB PHE 17 2HB PHE 17 15.728 6.662 4.878 117 HD1 PHE 17 HD1 PHE 17 16.346 8.426 6.208 118 HD2 PHE 17 HD2 PHE 17 14.342 9.255 2.560 119 HE1 PHE 17 HE1 PHE 17 16.514 10.886 6.674 120 HE2 PHE 17 HE2 PHE 17 14.509 11.715 3.027 121 HZ PHE 17 HZ PHE 17 15.594 12.501 5.079 122 H GLU 18 HN GLU 18 17.740 7.027 4.486 123 HA GLU 18 HA GLU 18 18.789 4.391 3.844 124 1HB GLU 18 1HB GLU 18 20.063 6.506 2.856 125 2HB GLU 18 2HB GLU 18 20.687 6.652 4.487 126 1HG GLU 18 1HG GLU 18 22.095 4.883 4.213 127 2HG GLU 18 2HG GLU 18 20.818 3.869 3.569 128 HE2 GLU 18 HE2 GLU 18 23.460 5.612 1.252 129 H ASP 19 HN ASP 19 19.299 7.209 6.098 130 HA ASP 19 HA ASP 19 19.691 5.305 8.224 131 1HB ASP 19 1HB ASP 19 20.540 8.015 7.629 132 2HB ASP 19 2HB ASP 19 19.713 8.019 9.174 133 HD2 ASP 19 HD2 ASP 19 21.255 8.123 10.538 134 H LEU 20 HN LEU 20 17.710 4.572 9.062 135 HA LEU 20 HA LEU 20 15.722 6.648 9.669 136 1HB LEU 20 1HB LEU 20 15.050 5.230 7.771 137 2HB LEU 20 2HB LEU 20 15.208 3.806 8.781 138 HG LEU 20 HG LEU 20 13.447 5.804 9.984 139 1HD1 LEU 20 1HD1 LEU 20 11.787 6.045 8.432 140 2HD1 LEU 20 2HD1 LEU 20 13.209 6.041 7.360 141 3HD1 LEU 20 3HD1 LEU 20 12.233 4.565 7.549 142 1HD2 LEU 20 1HD2 LEU 20 12.452 3.979 10.802 143 2HD2 LEU 20 2HD2 LEU 20 12.323 3.211 9.202 144 3HD2 LEU 20 3HD2 LEU 20 13.837 3.086 10.130 145 HA PRO 21 HA PRO 21 17.406 5.045 13.617 146 1HB PRO 21 1HB PRO 21 15.968 7.625 14.328 147 2HB PRO 21 2HB PRO 21 17.540 6.971 14.893 148 1HG PRO 21 1HG PRO 21 17.482 8.949 12.958 149 2HG PRO 21 2HG PRO 21 18.620 7.563 12.916 150 1HD PRO 21 HD2 PRO 21 15.956 7.969 11.465 151 2HD PRO 21 HD3 PRO 21 17.504 7.346 10.816 152 H ASP 22 HN ASP 22 15.972 5.121 15.889 153 HA ASP 22 HA ASP 22 13.397 4.070 15.029 154 1HB ASP 22 1HB ASP 22 13.463 2.916 17.319 155 2HB ASP 22 2HB ASP 22 14.630 2.349 16.140 156 HD2 ASP 22 HD2 ASP 22 14.991 2.839 19.478 157 H ASP 23 HN ASP 23 13.503 6.836 15.198 158 HA ASP 23 HA ASP 23 11.657 7.358 17.230 159 1HB ASP 23 1HB ASP 23 13.248 9.309 18.151 160 2HB ASP 23 2HB ASP 23 13.253 7.711 18.869 161 HD2 ASP 23 HD2 ASP 23 16.527 8.257 18.776 162 H TRP 24 HN TRP 24 11.295 7.679 14.588 163 HA TRP 24 HA TRP 24 12.191 10.304 13.746 164 1HB TRP 24 1HB TRP 24 12.126 8.205 12.287 165 2HB TRP 24 2HB TRP 24 10.387 8.417 12.243 166 HD1 TRP 24 HD1 TRP 24 13.262 11.038 11.740 167 HE1 TRP 24 HE1 TRP 24 12.875 12.406 9.518 168 HE3 TRP 24 HE3 TRP 24 9.044 8.569 10.334 169 HZ2 TRP 24 HZ2 TRP 24 10.895 12.304 7.466 170 HZ3 TRP 24 HZ3 TRP 24 7.946 9.265 8.207 171 HH2 TRP 24 HH2 TRP 24 8.804 11.063 6.792 172 H ALA 25 HN ALA 25 10.825 12.110 13.571 173 HA ALA 25 HA ALA 25 8.060 11.693 14.471 174 1HB ALA 25 1HB ALA 25 8.916 14.279 15.273 175 2HB ALA 25 2HB ALA 25 8.527 12.888 16.314 176 3HB ALA 25 3HB ALA 25 10.200 13.148 15.765 177 H CYS 26 HN CYS 26 6.509 12.727 13.248 178 HA CYS 26 HA CYS 26 7.027 13.471 10.704 179 1HB CYS 26 1HB CYS 26 4.795 13.066 11.946 180 2HB CYS 26 2HB CYS 26 4.823 14.787 12.274 181 HA PRO 27 HA PRO 27 9.661 17.043 11.436 182 1HB PRO 27 1HB PRO 27 9.038 17.247 8.473 183 2HB PRO 27 2HB PRO 27 10.598 17.365 9.349 184 1HG PRO 27 1HG PRO 27 10.032 15.041 8.118 185 2HG PRO 27 2HG PRO 27 10.854 15.056 9.712 186 1HD PRO 27 HD2 PRO 27 7.942 14.529 8.998 187 2HD PRO 27 HD3 PRO 27 8.953 13.766 10.263 188 H VAL 28 HN VAL 28 6.361 16.826 10.149 189 HA VAL 28 HA VAL 28 6.084 19.692 10.014 190 HB VAL 28 HB VAL 28 4.134 17.402 9.702 191 1HG1 VAL 28 1HG1 VAL 28 2.781 19.210 10.346 192 2HG1 VAL 28 2HG1 VAL 28 3.772 20.392 9.458 193 3HG1 VAL 28 3HG1 VAL 28 2.738 19.251 8.566 194 1HG2 VAL 28 1HG2 VAL 28 5.956 17.604 7.982 195 2HG2 VAL 28 2HG2 VAL 28 4.307 17.776 7.336 196 3HG2 VAL 28 3HG2 VAL 28 5.322 19.218 7.580 197 H CYS 29 HN CYS 29 3.700 17.519 11.558 198 HA CYS 29 HA CYS 29 3.199 19.324 13.606 199 1HB CYS 29 1HB CYS 29 1.987 17.408 14.671 200 2HB CYS 29 2HB CYS 29 1.499 17.805 13.036 201 H GLY 30 HN GLY 30 5.146 16.263 13.461 202 1HA GLY 30 HA1 GLY 30 7.301 16.323 14.587 203 2HA GLY 30 HA2 GLY 30 6.527 17.149 15.924 204 H ALA 31 HN ALA 31 4.035 15.289 15.300 205 HA ALA 31 HA ALA 31 4.280 13.565 17.366 206 1HB ALA 31 1HB ALA 31 2.730 12.162 15.531 207 2HB ALA 31 2HB ALA 31 2.147 13.433 16.633 208 3HB ALA 31 3HB ALA 31 2.608 13.845 14.964 209 H SER 32 HN SER 32 4.651 11.208 17.494 210 HA SER 32 HA SER 32 7.076 10.559 16.263 211 1HB SER 32 1HB SER 32 6.492 8.220 17.293 212 2HB SER 32 2HB SER 32 6.789 9.572 18.367 213 HG SER 32 HG SER 32 4.891 8.597 19.087 214 H LYS 33 HN LYS 33 7.180 8.092 15.277 215 HA LYS 33 HA LYS 33 5.470 8.244 12.935 216 1HB LYS 33 1HB LYS 33 7.035 6.574 12.006 217 2HB LYS 33 2HB LYS 33 7.839 8.038 12.534 218 1HG LYS 33 1HG LYS 33 9.150 6.850 13.947 219 2HG LYS 33 2HG LYS 33 7.738 6.243 14.788 220 1HD LYS 33 HD2 LYS 33 7.732 4.743 12.426 221 2HD LYS 33 HD3 LYS 33 9.442 4.906 12.772 222 1HE LYS 33 2HE LYS 33 9.291 3.744 14.808 223 2HE LYS 33 3HE LYS 33 7.612 4.177 15.058 224 1HZ LYS 33 HZ1 LYS 33 7.231 2.098 14.283 225 2HZ LYS 33 HZ2 LYS 33 7.490 2.702 12.794 226 H ASP 34 HN ASP 34 4.124 7.626 15.375 227 HA ASP 34 HA ASP 34 3.751 4.760 15.179 228 1HB ASP 34 1HB ASP 34 2.329 5.128 17.263 229 2HB ASP 34 2HB ASP 34 4.030 5.508 17.446 230 HD2 ASP 34 HD2 ASP 34 1.817 8.160 18.808 231 H ALA 35 HN ALA 35 1.886 7.888 15.383 232 HA ALA 35 HA ALA 35 -0.612 6.848 14.796 233 1HB ALA 35 1HB ALA 35 -1.251 9.046 14.812 234 2HB ALA 35 2HB ALA 35 0.377 9.269 15.494 235 3HB ALA 35 3HB ALA 35 0.092 9.556 13.761 236 H PHE 36 HN PHE 36 2.221 7.300 12.786 237 HA PHE 36 HA PHE 36 1.000 7.636 10.314 238 1HB PHE 36 1HB PHE 36 3.578 6.442 11.426 239 2HB PHE 36 2HB PHE 36 3.264 6.283 9.709 240 HD1 PHE 36 HD1 PHE 36 3.624 8.790 12.420 241 HD2 PHE 36 HD2 PHE 36 3.717 8.058 8.242 242 HE1 PHE 36 HE1 PHE 36 4.551 11.091 12.037 243 HE2 PHE 36 HE2 PHE 36 4.645 10.358 7.859 244 HZ PHE 36 HZ PHE 36 5.051 11.848 9.761 245 H GLU 37 HN GLU 37 0.067 6.253 8.828 246 HA GLU 37 HA GLU 37 0.348 3.424 9.280 247 1HB GLU 37 1HB GLU 37 -1.878 4.723 10.333 248 2HB GLU 37 2HB GLU 37 -2.474 4.163 8.782 249 1HG GLU 37 1HG GLU 37 -2.810 2.473 10.601 250 2HG GLU 37 2HG GLU 37 -1.827 1.855 9.288 251 HE2 GLU 37 HE2 GLU 37 1.080 1.722 11.199 252 H LYS 38 HN LYS 38 -0.045 2.163 7.363 253 HA LYS 38 HA LYS 38 0.498 3.513 4.978 254 1HB LYS 38 1HB LYS 38 1.171 1.213 5.368 255 2HB LYS 38 2HB LYS 38 -0.497 0.700 5.508 256 1HG LYS 38 1HG LYS 38 -0.800 0.651 3.242 257 2HG LYS 38 2HG LYS 38 0.008 2.188 3.007 258 1HD LYS 38 HD2 LYS 38 1.548 0.798 1.962 259 2HD LYS 38 HD3 LYS 38 2.201 0.768 3.588 260 1HE LYS 38 2HE LYS 38 2.088 -1.529 2.842 261 2HE LYS 38 3HE LYS 38 0.821 -1.326 4.035 262 1HZ LYS 38 HZ1 LYS 38 0.007 -0.761 1.309 263 2HZ LYS 38 HZ2 LYS 38 0.396 -2.319 1.581 264 H GLN 39 HN GLN 39 -0.797 4.732 3.721 265 HA GLN 39 HA GLN 39 -3.583 3.943 3.570 266 1HB GLN 39 1HB GLN 39 -2.549 6.707 4.298 267 2HB GLN 39 2HB GLN 39 -4.148 6.474 3.621 268 1HG GLN 39 1HG GLN 39 -3.609 4.585 5.817 269 2HG GLN 39 2HG GLN 39 -3.435 6.250 6.336 270 1HE2 GLN 39 1HE2 GLN 39 -5.562 4.167 4.389 271 2HE2 GLN 39 2HE2 GLN 39 -7.069 4.862 4.885 Start of MODEL 14 1 1H MET 1 HN MET 1 6.662 0.830 -2.918 2 HA MET 1 HA MET 1 4.638 2.408 -4.211 3 1HB MET 1 1HB MET 1 4.989 -0.464 -3.308 4 2HB MET 1 2HB MET 1 3.351 0.117 -3.536 5 1HG MET 1 1HG MET 1 4.215 0.985 -5.867 6 2HG MET 1 2HG MET 1 5.573 -0.091 -5.601 7 1HE MET 1 1HE MET 1 2.568 -1.182 -8.046 8 2HE MET 1 2HE MET 1 3.924 -0.046 -7.857 9 3HE MET 1 3HE MET 1 4.243 -1.781 -8.096 10 H ASP 2 HN ASP 2 4.950 0.553 -1.091 11 HA ASP 2 HA ASP 2 2.676 1.266 0.086 12 1HB ASP 2 1HB ASP 2 4.204 1.396 2.265 13 2HB ASP 2 2HB ASP 2 3.982 -0.121 1.416 14 HD2 ASP 2 HD2 ASP 2 7.110 -0.716 1.273 15 H ILE 3 HN ILE 3 2.190 2.996 1.782 16 HA ILE 3 HA ILE 3 3.809 5.406 1.466 17 HB ILE 3 HB ILE 3 0.853 5.160 0.938 18 1HG1 ILE 3 2HG1 ILE 3 3.049 6.431 -0.719 19 2HG1 ILE 3 3HG1 ILE 3 2.512 4.775 -0.922 20 1HG2 ILE 3 1HG2 ILE 3 1.406 7.045 2.530 21 2HG2 ILE 3 2HG2 ILE 3 2.364 7.765 1.215 22 3HG2 ILE 3 3HG2 ILE 3 0.614 7.516 1.007 23 1HD1 ILE 3 1HD1 ILE 3 0.363 6.866 -0.868 24 2HD1 ILE 3 2HD1 ILE 3 1.424 6.838 -2.297 25 3HD1 ILE 3 3HD1 ILE 3 0.488 5.389 -1.854 26 H TYR 4 HN TYR 4 3.869 6.702 3.254 27 HA TYR 4 HA TYR 4 2.444 5.665 5.660 28 1HB TYR 4 1HB TYR 4 5.285 6.711 5.417 29 2HB TYR 4 2HB TYR 4 4.470 6.334 6.944 30 HD1 TYR 4 HD1 TYR 4 3.367 3.865 6.962 31 HD2 TYR 4 HD2 TYR 4 6.704 5.104 4.559 32 HE1 TYR 4 HE1 TYR 4 4.107 1.505 6.773 33 HE2 TYR 4 HE2 TYR 4 7.443 2.745 4.368 34 HH TYR 4 HH TYR 4 5.634 0.136 4.928 35 H VAL 5 HN VAL 5 0.745 7.288 5.371 36 HA VAL 5 HA VAL 5 1.704 10.044 5.516 37 HB VAL 5 HB VAL 5 -0.978 8.808 4.880 38 1HG1 VAL 5 1HG1 VAL 5 -0.947 11.576 4.231 39 2HG1 VAL 5 2HG1 VAL 5 -1.968 10.732 5.419 40 3HG1 VAL 5 3HG1 VAL 5 -0.407 11.423 5.919 41 1HG2 VAL 5 1HG2 VAL 5 1.248 9.202 3.273 42 2HG2 VAL 5 2HG2 VAL 5 -0.428 8.984 2.714 43 3HG2 VAL 5 3HG2 VAL 5 0.232 10.623 2.928 44 H CYS 6 HN CYS 6 1.822 11.034 7.459 45 HA CYS 6 HA CYS 6 1.231 9.820 9.820 46 1HB CYS 6 1HB CYS 6 2.645 11.832 9.507 47 2HB CYS 6 2HB CYS 6 1.200 12.797 9.280 48 H THR 7 HN THR 7 -0.556 10.078 11.358 49 HA THR 7 HA THR 7 -3.084 10.730 10.001 50 HB THR 7 HB THR 7 -4.044 9.137 11.712 51 HG1 THR 7 HG1 THR 7 -2.231 9.568 13.239 52 1HG2 THR 7 1HG2 THR 7 -3.618 7.506 10.170 53 2HG2 THR 7 2HG2 THR 7 -2.222 8.421 9.554 54 3HG2 THR 7 3HG2 THR 7 -2.013 7.283 10.907 55 H VAL 8 HN VAL 8 -1.075 12.582 11.379 56 HA VAL 8 HA VAL 8 -2.973 13.612 13.375 57 HB VAL 8 HB VAL 8 0.014 13.428 13.324 58 1HG1 VAL 8 1HG1 VAL 8 -1.607 15.589 14.695 59 2HG1 VAL 8 2HG1 VAL 8 0.022 15.112 15.232 60 3HG1 VAL 8 3HG1 VAL 8 -0.217 15.777 13.598 61 1HG2 VAL 8 1HG2 VAL 8 -1.307 11.760 14.567 62 2HG2 VAL 8 2HG2 VAL 8 -0.299 12.747 15.653 63 3HG2 VAL 8 3HG2 VAL 8 -2.046 13.064 15.527 64 H CYS 9 HN CYS 9 -0.398 14.505 10.975 65 HA CYS 9 HA CYS 9 -1.826 17.035 10.627 66 1HB CYS 9 1HB CYS 9 0.376 17.687 9.457 67 2HB CYS 9 2HB CYS 9 0.308 17.647 11.208 68 H GLY 10 HN GLY 10 -0.841 13.964 9.220 69 1HA GLY 10 HA1 GLY 10 -1.815 13.026 7.344 70 2HA GLY 10 HA2 GLY 10 -2.316 14.610 6.785 71 H TYR 11 HN TYR 11 0.910 14.384 7.988 72 HA TYR 11 HA TYR 11 2.183 15.335 5.709 73 1HB TYR 11 1HB TYR 11 3.160 15.204 7.979 74 2HB TYR 11 2HB TYR 11 3.291 13.446 7.814 75 HD1 TYR 11 HD1 TYR 11 5.571 12.961 7.767 76 HD2 TYR 11 HD2 TYR 11 4.052 16.177 5.358 77 HE1 TYR 11 HE1 TYR 11 7.800 13.226 6.715 78 HE2 TYR 11 HE2 TYR 11 6.281 16.441 4.304 79 HH TYR 11 HH TYR 11 8.387 14.912 3.907 80 H GLU 12 HN GLU 12 3.722 14.197 4.176 81 HA GLU 12 HA GLU 12 2.716 11.510 3.644 82 1HB GLU 12 1HB GLU 12 3.069 13.870 1.835 83 2HB GLU 12 2HB GLU 12 3.524 12.314 1.171 84 1HG GLU 12 1HG GLU 12 1.346 11.459 1.283 85 2HG GLU 12 2HG GLU 12 0.895 12.481 2.636 86 HE2 GLU 12 HE2 GLU 12 1.051 12.415 -0.819 87 H TYR 13 HN TYR 13 4.201 9.944 3.347 88 HA TYR 13 HA TYR 13 7.066 10.776 3.312 89 1HB TYR 13 1HB TYR 13 6.671 9.811 5.427 90 2HB TYR 13 2HB TYR 13 5.608 8.561 4.758 91 HD1 TYR 13 HD1 TYR 13 6.729 6.876 3.087 92 HD2 TYR 13 HD2 TYR 13 8.890 9.296 5.903 93 HE1 TYR 13 HE1 TYR 13 8.650 5.313 2.957 94 HE2 TYR 13 HE2 TYR 13 10.811 7.733 5.772 95 HH TYR 13 HH TYR 13 11.163 5.206 5.138 96 H ASP 14 HN ASP 14 8.534 9.469 2.006 97 HA ASP 14 HA ASP 14 7.048 7.872 0.070 98 1HB ASP 14 1HB ASP 14 8.447 10.124 -0.496 99 2HB ASP 14 2HB ASP 14 9.777 8.985 -0.558 100 HD2 ASP 14 HD2 ASP 14 6.725 8.041 -2.848 101 HA PRO 15 HA PRO 15 9.758 4.587 1.396 102 1HB PRO 15 1HB PRO 15 9.165 2.758 -0.545 103 2HB PRO 15 2HB PRO 15 7.960 3.275 0.679 104 1HG PRO 15 1HG PRO 15 8.000 4.250 -2.337 105 2HG PRO 15 2HG PRO 15 6.954 3.675 -0.998 106 1HD PRO 15 HD2 PRO 15 7.771 6.411 -1.663 107 2HD PRO 15 HD3 PRO 15 6.713 5.871 -0.324 108 H ALA 16 HN ALA 16 11.604 6.254 0.714 109 HA ALA 16 HA ALA 16 13.398 4.819 -0.909 110 1HB ALA 16 1HB ALA 16 12.838 7.448 -2.202 111 2HB ALA 16 2HB ALA 16 13.348 5.904 -2.924 112 3HB ALA 16 3HB ALA 16 11.643 6.159 -2.481 113 H PHE 17 HN PHE 17 14.139 5.232 1.424 114 HA PHE 17 HA PHE 17 15.709 7.695 1.387 115 1HB PHE 17 1HB PHE 17 13.742 6.604 3.446 116 2HB PHE 17 2HB PHE 17 15.132 7.498 4.028 117 HD1 PHE 17 HD1 PHE 17 15.177 9.855 3.953 118 HD2 PHE 17 HD2 PHE 17 12.144 7.753 1.857 119 HE1 PHE 17 HE1 PHE 17 13.961 12.013 3.546 120 HE2 PHE 17 HE2 PHE 17 10.929 9.912 1.450 121 HZ PHE 17 HZ PHE 17 11.852 12.016 2.300 122 H GLU 18 HN GLU 18 17.461 7.596 3.187 123 HA GLU 18 HA GLU 18 18.232 4.828 3.631 124 1HB GLU 18 1HB GLU 18 19.449 6.427 1.710 125 2HB GLU 18 2HB GLU 18 20.497 6.659 3.095 126 1HG GLU 18 1HG GLU 18 21.099 4.388 3.206 127 2HG GLU 18 2HG GLU 18 19.625 3.847 2.430 128 HE2 GLU 18 HE2 GLU 18 19.920 3.326 0.334 129 H ASP 19 HN ASP 19 16.992 5.949 5.658 130 HA ASP 19 HA ASP 19 18.826 6.036 7.669 131 1HB ASP 19 1HB ASP 19 18.980 8.442 6.328 132 2HB ASP 19 2HB ASP 19 17.755 8.822 7.523 133 HD2 ASP 19 HD2 ASP 19 19.091 7.599 9.934 134 H LEU 20 HN LEU 20 17.166 4.771 8.683 135 HA LEU 20 HA LEU 20 14.776 6.300 9.428 136 1HB LEU 20 1HB LEU 20 14.724 4.269 7.628 137 2HB LEU 20 2HB LEU 20 14.476 3.381 9.117 138 HG LEU 20 HG LEU 20 12.575 4.964 9.644 139 1HD1 LEU 20 1HD1 LEU 20 12.532 6.846 8.435 140 2HD1 LEU 20 2HD1 LEU 20 13.500 6.141 7.117 141 3HD1 LEU 20 3HD1 LEU 20 11.744 5.852 7.187 142 1HD2 LEU 20 1HD2 LEU 20 11.628 3.026 9.016 143 2HD2 LEU 20 2HD2 LEU 20 11.226 3.912 7.526 144 3HD2 LEU 20 3HD2 LEU 20 12.662 2.862 7.577 145 HA PRO 21 HA PRO 21 17.133 5.042 13.151 146 1HB PRO 21 1HB PRO 21 15.914 7.603 14.110 147 2HB PRO 21 2HB PRO 21 17.623 7.058 14.096 148 1HG PRO 21 1HG PRO 21 16.720 8.989 12.386 149 2HG PRO 21 2HG PRO 21 18.021 7.865 11.877 150 1HD PRO 21 HD2 PRO 21 15.018 7.777 11.346 151 2HD PRO 21 HD3 PRO 21 16.370 7.383 10.243 152 H ASP 22 HN ASP 22 16.144 5.075 15.571 153 HA ASP 22 HA ASP 22 13.441 4.084 15.211 154 1HB ASP 22 1HB ASP 22 13.913 3.170 17.612 155 2HB ASP 22 2HB ASP 22 14.726 2.408 16.260 156 HD2 ASP 22 HD2 ASP 22 15.328 4.134 19.174 157 H ASP 23 HN ASP 23 13.760 6.912 15.219 158 HA ASP 23 HA ASP 23 12.129 7.587 17.399 159 1HB ASP 23 1HB ASP 23 13.825 9.471 18.142 160 2HB ASP 23 2HB ASP 23 13.969 7.859 18.816 161 HD2 ASP 23 HD2 ASP 23 15.775 6.634 18.111 162 H TRP 24 HN TRP 24 11.651 7.773 14.701 163 HA TRP 24 HA TRP 24 12.464 10.401 13.774 164 1HB TRP 24 1HB TRP 24 12.427 8.262 12.365 165 2HB TRP 24 2HB TRP 24 10.684 8.436 12.346 166 HD1 TRP 24 HD1 TRP 24 13.533 11.057 11.702 167 HE1 TRP 24 HE1 TRP 24 13.066 12.386 9.471 168 HE3 TRP 24 HE3 TRP 24 9.250 8.588 10.510 169 HZ2 TRP 24 HZ2 TRP 24 11.004 12.259 7.502 170 HZ3 TRP 24 HZ3 TRP 24 8.072 9.252 8.417 171 HH2 TRP 24 HH2 TRP 24 8.882 11.019 6.935 172 H ALA 25 HN ALA 25 11.046 12.163 13.611 173 HA ALA 25 HA ALA 25 8.312 11.678 14.567 174 1HB ALA 25 1HB ALA 25 9.081 14.294 15.324 175 2HB ALA 25 2HB ALA 25 8.796 12.899 16.391 176 3HB ALA 25 3HB ALA 25 10.435 13.234 15.784 177 H CYS 26 HN CYS 26 6.698 12.701 13.399 178 HA CYS 26 HA CYS 26 7.045 13.342 10.828 179 1HB CYS 26 1HB CYS 26 4.937 13.356 12.570 180 2HB CYS 26 2HB CYS 26 5.052 15.055 12.159 181 HA PRO 27 HA PRO 27 9.400 17.083 10.765 182 1HB PRO 27 1HB PRO 27 8.907 17.822 8.174 183 2HB PRO 27 2HB PRO 27 9.895 16.384 8.593 184 1HG PRO 27 1HG PRO 27 6.797 16.096 7.641 185 2HG PRO 27 2HG PRO 27 8.493 15.602 7.332 186 1HD PRO 27 HD2 PRO 27 6.655 14.456 9.223 187 2HD PRO 27 HD3 PRO 27 8.419 14.160 9.145 188 H VAL 28 HN VAL 28 5.971 16.825 10.756 189 HA VAL 28 HA VAL 28 5.746 19.754 10.699 190 HB VAL 28 HB VAL 28 3.647 17.642 10.166 191 1HG1 VAL 28 1HG1 VAL 28 2.328 19.369 10.860 192 2HG1 VAL 28 2HG1 VAL 28 3.554 20.605 10.485 193 3HG1 VAL 28 3HG1 VAL 28 2.576 19.896 9.178 194 1HG2 VAL 28 1HG2 VAL 28 5.695 18.587 8.473 195 2HG2 VAL 28 2HG2 VAL 28 4.265 17.627 8.023 196 3HG2 VAL 28 3HG2 VAL 28 4.204 19.404 7.944 197 H CYS 29 HN CYS 29 3.298 17.484 11.935 198 HA CYS 29 HA CYS 29 2.768 18.798 14.212 199 1HB CYS 29 1HB CYS 29 1.926 16.662 15.126 200 2HB CYS 29 2HB CYS 29 1.384 17.003 13.494 201 H GLY 30 HN GLY 30 5.184 16.117 13.763 202 1HA GLY 30 HA1 GLY 30 7.346 16.303 14.749 203 2HA GLY 30 HA2 GLY 30 6.646 17.173 16.099 204 H ALA 31 HN ALA 31 4.271 15.016 15.660 205 HA ALA 31 HA ALA 31 4.832 13.481 17.863 206 1HB ALA 31 1HB ALA 31 2.698 12.924 17.449 207 2HB ALA 31 2HB ALA 31 2.809 13.711 15.856 208 3HB ALA 31 3HB ALA 31 3.207 11.984 16.026 209 H SER 32 HN SER 32 5.138 11.026 17.913 210 HA SER 32 HA SER 32 7.542 10.478 16.541 211 1HB SER 32 1HB SER 32 7.461 8.321 17.752 212 2HB SER 32 2HB SER 32 7.140 9.665 18.830 213 HG SER 32 HG SER 32 5.645 7.878 19.137 214 H LYS 33 HN LYS 33 7.680 8.026 15.564 215 HA LYS 33 HA LYS 33 5.841 8.083 13.339 216 1HB LYS 33 1HB LYS 33 7.335 6.549 12.298 217 2HB LYS 33 2HB LYS 33 8.310 7.781 13.072 218 1HG LYS 33 1HG LYS 33 7.735 5.520 14.881 219 2HG LYS 33 2HG LYS 33 8.563 5.006 13.424 220 1HD LYS 33 HD2 LYS 33 10.523 5.976 14.068 221 2HD LYS 33 HD3 LYS 33 9.733 7.481 14.494 222 1HE LYS 33 2HE LYS 33 10.434 6.814 16.609 223 2HE LYS 33 3HE LYS 33 8.852 6.059 16.587 224 1HZ LYS 33 HZ1 LYS 33 10.342 4.144 15.451 225 2HZ LYS 33 HZ2 LYS 33 11.462 4.798 16.437 226 H ASP 34 HN ASP 34 4.332 7.666 15.565 227 HA ASP 34 HA ASP 34 3.936 4.778 15.561 228 1HB ASP 34 1HB ASP 34 4.415 5.795 17.788 229 2HB ASP 34 2HB ASP 34 3.065 6.895 17.586 230 HD2 ASP 34 HD2 ASP 34 1.811 4.285 19.673 231 H ALA 35 HN ALA 35 2.528 8.044 15.150 232 HA ALA 35 HA ALA 35 -0.126 6.959 14.702 233 1HB ALA 35 1HB ALA 35 0.862 9.323 15.774 234 2HB ALA 35 2HB ALA 35 0.334 9.810 14.146 235 3HB ALA 35 3HB ALA 35 -0.817 9.035 15.262 236 H PHE 36 HN PHE 36 1.786 5.905 12.916 237 HA PHE 36 HA PHE 36 1.067 7.332 10.451 238 1HB PHE 36 1HB PHE 36 3.564 5.937 11.493 239 2HB PHE 36 2HB PHE 36 3.266 5.879 9.766 240 HD1 PHE 36 HD1 PHE 36 2.895 8.570 12.338 241 HD2 PHE 36 HD2 PHE 36 4.631 7.359 8.660 242 HE1 PHE 36 HE1 PHE 36 3.933 10.841 12.082 243 HE2 PHE 36 HE2 PHE 36 5.669 9.630 8.403 244 HZ PHE 36 HZ PHE 36 5.308 11.344 10.117 245 H GLU 37 HN GLU 37 0.206 6.122 8.754 246 HA GLU 37 HA GLU 37 0.393 3.308 8.760 247 1HB GLU 37 1HB GLU 37 -1.520 4.071 10.485 248 2HB GLU 37 2HB GLU 37 -2.467 4.216 9.017 249 1HG GLU 37 1HG GLU 37 -2.423 1.929 8.585 250 2HG GLU 37 2HG GLU 37 -0.844 1.707 9.312 251 HE2 GLU 37 HE2 GLU 37 -1.968 1.138 12.448 252 H LYS 38 HN LYS 38 -0.550 2.370 6.775 253 HA LYS 38 HA LYS 38 -0.168 3.924 4.553 254 1HB LYS 38 1HB LYS 38 -0.217 1.421 4.692 255 2HB LYS 38 2HB LYS 38 -1.967 1.492 4.756 256 1HG LYS 38 1HG LYS 38 -2.135 1.858 2.515 257 2HG LYS 38 2HG LYS 38 -0.933 3.132 2.552 258 1HD LYS 38 HD2 LYS 38 0.097 1.492 1.203 259 2HD LYS 38 HD3 LYS 38 0.825 1.208 2.773 260 1HE LYS 38 2HE LYS 38 -1.713 -0.276 2.052 261 2HE LYS 38 3HE LYS 38 -0.195 -0.815 1.363 262 1HZ LYS 38 HZ1 LYS 38 0.294 -0.397 4.064 263 2HZ LYS 38 HZ2 LYS 38 -1.132 -1.182 4.010 264 H GLN 39 HN GLN 39 -1.393 5.289 3.290 265 HA GLN 39 HA GLN 39 -4.201 5.358 3.567 266 1HB GLN 39 1HB GLN 39 -2.555 7.223 5.175 267 2HB GLN 39 2HB GLN 39 -3.756 8.031 4.188 268 1HG GLN 39 1HG GLN 39 -5.312 6.027 5.157 269 2HG GLN 39 2HG GLN 39 -4.146 6.106 6.463 270 1HE2 GLN 39 1HE2 GLN 39 -3.895 8.002 7.661 271 2HE2 GLN 39 2HE2 GLN 39 -5.112 9.233 7.728 Start of MODEL 15 1 1H MET 1 HN MET 1 1.835 0.168 0.873 2 HA MET 1 HA MET 1 2.513 -1.260 -1.182 3 1HB MET 1 1HB MET 1 1.230 1.143 -2.219 4 2HB MET 1 2HB MET 1 2.910 1.159 -2.716 5 1HG MET 1 1HG MET 1 2.666 -0.679 -4.097 6 2HG MET 1 2HG MET 1 1.549 -1.484 -3.012 7 1HE MET 1 1HE MET 1 -0.430 -1.071 -6.398 8 2HE MET 1 2HE MET 1 1.317 -1.340 -6.191 9 3HE MET 1 3HE MET 1 0.154 -2.224 -5.175 10 H ASP 2 HN ASP 2 3.143 2.239 -0.390 11 HA ASP 2 HA ASP 2 5.422 1.730 1.037 12 1HB ASP 2 1HB ASP 2 7.193 2.482 -0.552 13 2HB ASP 2 2HB ASP 2 6.460 0.969 -1.049 14 HD2 ASP 2 HD2 ASP 2 7.474 2.789 -3.447 15 H ILE 3 HN ILE 3 3.752 3.408 1.928 16 HA ILE 3 HA ILE 3 4.786 6.036 1.399 17 HB ILE 3 HB ILE 3 2.078 5.184 0.489 18 1HG1 ILE 3 2HG1 ILE 3 2.987 7.357 -0.987 19 2HG1 ILE 3 3HG1 ILE 3 4.459 6.486 -0.607 20 1HG2 ILE 3 1HG2 ILE 3 1.138 6.748 1.821 21 2HG2 ILE 3 2HG2 ILE 3 2.663 7.641 2.044 22 3HG2 ILE 3 3HG2 ILE 3 1.717 7.852 0.551 23 1HD1 ILE 3 1HD1 ILE 3 1.954 5.277 -1.869 24 2HD1 ILE 3 2HD1 ILE 3 3.483 5.638 -2.707 25 3HD1 ILE 3 3HD1 ILE 3 3.431 4.373 -1.457 26 H TYR 4 HN TYR 4 4.534 7.381 3.125 27 HA TYR 4 HA TYR 4 3.058 6.270 5.463 28 1HB TYR 4 1HB TYR 4 5.863 7.381 5.273 29 2HB TYR 4 2HB TYR 4 4.967 7.374 6.802 30 HD1 TYR 4 HD1 TYR 4 4.086 5.125 7.669 31 HD2 TYR 4 HD2 TYR 4 7.018 5.469 4.548 32 HE1 TYR 4 HE1 TYR 4 4.785 2.779 8.068 33 HE2 TYR 4 HE2 TYR 4 7.718 3.123 4.947 34 HH TYR 4 HH TYR 4 7.163 1.131 6.015 35 H VAL 5 HN VAL 5 1.244 7.702 5.093 36 HA VAL 5 HA VAL 5 1.942 10.546 5.175 37 HB VAL 5 HB VAL 5 -0.630 9.138 4.431 38 1HG1 VAL 5 1HG1 VAL 5 -1.653 11.148 4.169 39 2HG1 VAL 5 2HG1 VAL 5 -0.471 11.658 5.397 40 3HG1 VAL 5 3HG1 VAL 5 -0.155 11.972 3.674 41 1HG2 VAL 5 1HG2 VAL 5 1.734 10.067 2.857 42 2HG2 VAL 5 2HG2 VAL 5 0.662 8.669 2.602 43 3HG2 VAL 5 3HG2 VAL 5 0.118 10.302 2.148 44 H CYS 6 HN CYS 6 1.785 11.593 7.085 45 HA CYS 6 HA CYS 6 1.009 10.334 9.405 46 1HB CYS 6 1HB CYS 6 2.420 12.427 9.099 47 2HB CYS 6 2HB CYS 6 0.917 13.319 8.963 48 H THR 7 HN THR 7 -0.911 10.835 10.817 49 HA THR 7 HA THR 7 -3.289 11.405 9.169 50 HB THR 7 HB THR 7 -4.381 9.882 10.992 51 HG1 THR 7 HG1 THR 7 -2.537 9.924 12.432 52 1HG2 THR 7 1HG2 THR 7 -3.041 7.772 9.983 53 2HG2 THR 7 2HG2 THR 7 -4.205 8.675 8.985 54 3HG2 THR 7 3HG2 THR 7 -2.461 8.997 8.831 55 H VAL 8 HN VAL 8 -1.242 12.852 11.277 56 HA VAL 8 HA VAL 8 -3.356 14.005 12.924 57 HB VAL 8 HB VAL 8 -0.345 14.017 13.012 58 1HG1 VAL 8 1HG1 VAL 8 -2.215 15.643 14.770 59 2HG1 VAL 8 2HG1 VAL 8 -0.453 15.488 14.965 60 3HG1 VAL 8 3HG1 VAL 8 -1.121 16.299 13.528 61 1HG2 VAL 8 1HG2 VAL 8 -2.547 12.692 14.491 62 2HG2 VAL 8 2HG2 VAL 8 -0.882 12.149 14.175 63 3HG2 VAL 8 3HG2 VAL 8 -1.207 13.308 15.486 64 H CYS 9 HN CYS 9 -0.683 14.971 10.668 65 HA CYS 9 HA CYS 9 -2.103 17.507 10.324 66 1HB CYS 9 1HB CYS 9 0.188 18.104 9.200 67 2HB CYS 9 2HB CYS 9 -0.029 18.189 10.936 68 H GLY 10 HN GLY 10 -1.108 14.460 8.894 69 1HA GLY 10 HA1 GLY 10 -1.994 13.571 6.959 70 2HA GLY 10 HA2 GLY 10 -2.478 15.166 6.420 71 H TYR 11 HN TYR 11 0.709 14.880 7.729 72 HA TYR 11 HA TYR 11 2.060 15.895 5.521 73 1HB TYR 11 1HB TYR 11 2.918 15.656 7.861 74 2HB TYR 11 2HB TYR 11 3.138 13.923 7.562 75 HD1 TYR 11 HD1 TYR 11 5.436 13.541 7.554 76 HD2 TYR 11 HD2 TYR 11 3.852 16.882 5.369 77 HE1 TYR 11 HE1 TYR 11 7.685 13.989 6.609 78 HE2 TYR 11 HE2 TYR 11 6.101 17.331 4.424 79 HH TYR 11 HH TYR 11 8.405 15.541 4.071 80 H GLU 12 HN GLU 12 3.594 14.825 3.969 81 HA GLU 12 HA GLU 12 2.694 12.109 3.401 82 1HB GLU 12 1HB GLU 12 2.716 14.515 1.670 83 2HB GLU 12 2HB GLU 12 3.454 13.111 0.927 84 1HG GLU 12 1HG GLU 12 1.156 12.045 2.124 85 2HG GLU 12 2HG GLU 12 0.614 13.617 1.569 86 HE2 GLU 12 HE2 GLU 12 -0.168 13.422 -0.467 87 H TYR 13 HN TYR 13 4.262 10.638 3.117 88 HA TYR 13 HA TYR 13 7.068 11.637 2.963 89 1HB TYR 13 1HB TYR 13 6.438 10.590 5.128 90 2HB TYR 13 2HB TYR 13 5.998 9.109 4.260 91 HD1 TYR 13 HD1 TYR 13 7.564 7.411 4.177 92 HD2 TYR 13 HD2 TYR 13 8.910 11.474 4.549 93 HE1 TYR 13 HE1 TYR 13 9.910 6.620 4.337 94 HE2 TYR 13 HE2 TYR 13 11.255 10.683 4.709 95 HH TYR 13 HH TYR 13 12.565 8.708 5.198 96 H ASP 14 HN ASP 14 8.588 10.325 1.675 97 HA ASP 14 HA ASP 14 7.178 8.518 -0.121 98 1HB ASP 14 1HB ASP 14 7.858 10.914 -1.017 99 2HB ASP 14 2HB ASP 14 9.484 10.261 -1.047 100 HD2 ASP 14 HD2 ASP 14 9.181 10.234 -3.819 101 HA PRO 15 HA PRO 15 10.353 6.091 2.171 102 1HB PRO 15 1HB PRO 15 9.203 4.275 -0.001 103 2HB PRO 15 2HB PRO 15 9.695 3.899 1.683 104 1HG PRO 15 1HG PRO 15 7.119 4.429 1.057 105 2HG PRO 15 2HG PRO 15 7.698 4.981 2.662 106 1HD PRO 15 HD2 PRO 15 7.031 6.545 0.203 107 2HD PRO 15 HD3 PRO 15 7.215 7.116 1.889 108 H ALA 16 HN ALA 16 12.493 6.531 1.631 109 HA ALA 16 HA ALA 16 13.791 5.432 -0.464 110 1HB ALA 16 1HB ALA 16 13.949 7.851 -1.763 111 2HB ALA 16 2HB ALA 16 12.921 6.491 -2.274 112 3HB ALA 16 3HB ALA 16 12.232 7.807 -1.295 113 H PHE 17 HN PHE 17 14.828 5.477 1.799 114 HA PHE 17 HA PHE 17 16.734 7.679 1.791 115 1HB PHE 17 1HB PHE 17 14.525 7.330 3.606 116 2HB PHE 17 2HB PHE 17 15.944 6.818 4.499 117 HD1 PHE 17 HD1 PHE 17 15.507 9.548 1.991 118 HD2 PHE 17 HD2 PHE 17 16.448 8.505 5.996 119 HE1 PHE 17 HE1 PHE 17 16.064 11.946 2.485 120 HE2 PHE 17 HE2 PHE 17 17.005 10.903 6.489 121 HZ PHE 17 HZ PHE 17 16.806 12.594 4.728 122 H GLU 18 HN GLU 18 18.022 6.924 4.244 123 HA GLU 18 HA GLU 18 18.740 4.158 3.717 124 1HB GLU 18 1HB GLU 18 20.347 5.909 2.650 125 2HB GLU 18 2HB GLU 18 20.851 6.267 4.291 126 1HG GLU 18 1HG GLU 18 22.395 4.607 3.609 127 2HG GLU 18 2HG GLU 18 21.228 3.698 4.549 128 HE2 GLU 18 HE2 GLU 18 21.867 2.434 1.003 129 H ASP 19 HN ASP 19 19.131 7.033 5.896 130 HA ASP 19 HA ASP 19 19.494 5.217 8.107 131 1HB ASP 19 1HB ASP 19 20.936 7.251 7.875 132 2HB ASP 19 2HB ASP 19 19.513 8.270 7.969 133 HD2 ASP 19 HD2 ASP 19 18.951 8.225 11.089 134 H LEU 20 HN LEU 20 17.376 4.362 8.507 135 HA LEU 20 HA LEU 20 15.389 6.376 9.284 136 1HB LEU 20 1HB LEU 20 15.047 5.155 7.024 137 2HB LEU 20 2HB LEU 20 14.630 3.767 8.008 138 HG LEU 20 HG LEU 20 12.639 4.962 7.280 139 1HD1 LEU 20 1HD1 LEU 20 11.576 5.338 9.507 140 2HD1 LEU 20 2HD1 LEU 20 12.450 3.794 9.364 141 3HD1 LEU 20 3HD1 LEU 20 13.182 5.152 10.253 142 1HD2 LEU 20 1HD2 LEU 20 13.257 7.342 8.977 143 2HD2 LEU 20 2HD2 LEU 20 13.989 7.235 7.358 144 3HD2 LEU 20 3HD2 LEU 20 12.219 7.193 7.538 145 HA PRO 21 HA PRO 21 16.581 3.789 12.885 146 1HB PRO 21 1HB PRO 21 15.595 6.321 14.186 147 2HB PRO 21 2HB PRO 21 17.099 5.379 14.450 148 1HG PRO 21 1HG PRO 21 17.321 7.741 13.025 149 2HG PRO 21 2HG PRO 21 18.209 6.215 12.702 150 1HD PRO 21 HD2 PRO 21 15.629 7.288 11.429 151 2HD PRO 21 HD3 PRO 21 17.102 6.684 10.614 152 H ASP 22 HN ASP 22 15.044 3.701 15.093 153 HA ASP 22 HA ASP 22 12.401 3.272 13.963 154 1HB ASP 22 1HB ASP 22 12.104 1.838 16.072 155 2HB ASP 22 2HB ASP 22 13.251 1.240 14.890 156 HD2 ASP 22 HD2 ASP 22 12.892 2.494 17.993 157 H ASP 23 HN ASP 23 12.714 5.908 14.438 158 HA ASP 23 HA ASP 23 10.916 6.428 16.500 159 1HB ASP 23 1HB ASP 23 12.667 8.066 17.669 160 2HB ASP 23 2HB ASP 23 12.522 6.394 18.178 161 HD2 ASP 23 HD2 ASP 23 15.541 8.146 17.604 162 H TRP 24 HN TRP 24 10.485 7.134 14.021 163 HA TRP 24 HA TRP 24 11.770 9.671 13.402 164 1HB TRP 24 1HB TRP 24 11.354 7.727 11.753 165 2HB TRP 24 2HB TRP 24 9.690 8.275 11.739 166 HD1 TRP 24 HD1 TRP 24 13.000 10.366 11.523 167 HE1 TRP 24 HE1 TRP 24 12.926 11.986 9.441 168 HE3 TRP 24 HE3 TRP 24 8.464 8.823 9.819 169 HZ2 TRP 24 HZ2 TRP 24 11.022 12.430 7.362 170 HZ3 TRP 24 HZ3 TRP 24 7.570 9.901 7.758 171 HH2 TRP 24 HH2 TRP 24 8.771 11.646 6.539 172 H ALA 25 HN ALA 25 10.650 11.654 13.420 173 HA ALA 25 HA ALA 25 7.890 11.513 14.419 174 1HB ALA 25 1HB ALA 25 9.938 12.253 15.987 175 2HB ALA 25 2HB ALA 25 9.661 13.809 15.167 176 3HB ALA 25 3HB ALA 25 8.343 13.038 16.082 177 H CYS 26 HN CYS 26 6.411 12.819 13.369 178 HA CYS 26 HA CYS 26 6.977 13.683 10.829 179 1HB CYS 26 1HB CYS 26 4.724 13.269 12.084 180 2HB CYS 26 2HB CYS 26 4.817 14.977 12.464 181 HA PRO 27 HA PRO 27 9.250 17.410 11.590 182 1HB PRO 27 1HB PRO 27 9.205 18.402 9.044 183 2HB PRO 27 2HB PRO 27 10.129 16.928 9.478 184 1HG PRO 27 1HG PRO 27 7.264 16.972 8.187 185 2HG PRO 27 2HG PRO 27 8.809 16.167 7.761 186 1HD PRO 27 HD2 PRO 27 6.833 14.995 9.327 187 2HD PRO 27 HD3 PRO 27 8.574 14.629 9.528 188 H VAL 28 HN VAL 28 5.893 17.105 11.067 189 HA VAL 28 HA VAL 28 5.571 20.024 11.098 190 HB VAL 28 HB VAL 28 3.631 17.839 10.316 191 1HG1 VAL 28 1HG1 VAL 28 2.386 19.672 11.221 192 2HG1 VAL 28 2HG1 VAL 28 3.373 20.860 10.338 193 3HG1 VAL 28 3HG1 VAL 28 2.273 19.781 9.448 194 1HG2 VAL 28 1HG2 VAL 28 4.581 17.887 8.301 195 2HG2 VAL 28 2HG2 VAL 28 4.164 19.611 8.165 196 3HG2 VAL 28 3HG2 VAL 28 5.736 19.128 8.843 197 H CYS 29 HN CYS 29 3.141 17.600 12.070 198 HA CYS 29 HA CYS 29 2.400 18.885 14.342 199 1HB CYS 29 1HB CYS 29 1.457 16.712 15.082 200 2HB CYS 29 2HB CYS 29 1.027 17.175 13.447 201 H GLY 30 HN GLY 30 4.829 16.217 13.930 202 1HA GLY 30 HA1 GLY 30 6.894 16.326 15.118 203 2HA GLY 30 HA2 GLY 30 6.068 17.083 16.465 204 H ALA 31 HN ALA 31 3.765 14.961 15.619 205 HA ALA 31 HA ALA 31 4.121 13.257 17.740 206 1HB ALA 31 1HB ALA 31 2.386 11.892 16.643 207 2HB ALA 31 2HB ALA 31 2.005 13.626 16.514 208 3HB ALA 31 3HB ALA 31 2.667 12.753 15.111 209 H SER 32 HN SER 32 4.415 10.788 17.590 210 HA SER 32 HA SER 32 6.971 10.358 16.487 211 1HB SER 32 1HB SER 32 6.958 8.354 17.691 212 2HB SER 32 2HB SER 32 5.833 9.326 18.619 213 HG SER 32 HG SER 32 4.236 8.236 16.888 214 H LYS 33 HN LYS 33 7.191 7.960 15.321 215 HA LYS 33 HA LYS 33 5.949 8.346 12.796 216 1HB LYS 33 1HB LYS 33 7.532 6.932 12.030 217 2HB LYS 33 2HB LYS 33 8.289 7.279 13.571 218 1HG LYS 33 1HG LYS 33 7.191 5.256 14.562 219 2HG LYS 33 2HG LYS 33 6.441 4.909 13.017 220 1HD LYS 33 HD2 LYS 33 8.640 4.597 11.956 221 2HD LYS 33 HD3 LYS 33 9.462 5.116 13.414 222 1HE LYS 33 2HE LYS 33 7.563 2.906 13.919 223 2HE LYS 33 3HE LYS 33 8.796 2.472 12.751 224 1HZ LYS 33 HZ1 LYS 33 10.078 2.140 14.564 225 2HZ LYS 33 HZ2 LYS 33 10.210 3.759 14.690 226 H ASP 34 HN ASP 34 4.994 6.851 15.750 227 HA ASP 34 HA ASP 34 3.518 4.741 14.648 228 1HB ASP 34 1HB ASP 34 2.613 4.476 16.859 229 2HB ASP 34 2HB ASP 34 4.270 5.005 17.071 230 HD2 ASP 34 HD2 ASP 34 3.551 5.661 19.138 231 H ALA 35 HN ALA 35 3.137 8.179 14.725 232 HA ALA 35 HA ALA 35 0.284 8.249 14.860 233 1HB ALA 35 1HB ALA 35 2.394 10.284 14.038 234 2HB ALA 35 2HB ALA 35 0.659 10.644 14.215 235 3HB ALA 35 3HB ALA 35 1.611 10.136 15.630 236 H PHE 36 HN PHE 36 2.513 7.182 12.532 237 HA PHE 36 HA PHE 36 0.840 8.031 10.302 238 1HB PHE 36 1HB PHE 36 3.558 6.642 10.654 239 2HB PHE 36 2HB PHE 36 2.824 6.831 9.074 240 HD1 PHE 36 HD1 PHE 36 3.471 9.022 12.040 241 HD2 PHE 36 HD2 PHE 36 3.673 8.559 7.826 242 HE1 PHE 36 HE1 PHE 36 4.494 11.306 11.837 243 HE2 PHE 36 HE2 PHE 36 4.696 10.843 7.624 244 HZ PHE 36 HZ PHE 36 5.094 12.188 9.632 245 H GLU 37 HN GLU 37 -0.246 6.567 8.934 246 HA GLU 37 HA GLU 37 -0.335 3.851 10.000 247 1HB GLU 37 1HB GLU 37 -2.439 5.320 10.215 248 2HB GLU 37 2HB GLU 37 -2.571 5.240 8.469 249 1HG GLU 37 1HG GLU 37 -3.273 3.051 8.488 250 2HG GLU 37 2HG GLU 37 -2.152 2.593 9.753 251 HE2 GLU 37 HE2 GLU 37 -5.848 3.153 10.107 252 H LYS 38 HN LYS 38 0.596 2.367 8.666 253 HA LYS 38 HA LYS 38 1.520 2.976 6.132 254 1HB LYS 38 1HB LYS 38 2.248 1.121 7.712 255 2HB LYS 38 2HB LYS 38 0.865 0.202 7.151 256 1HG LYS 38 1HG LYS 38 2.735 1.419 5.106 257 2HG LYS 38 2HG LYS 38 3.235 -0.034 5.949 258 1HD LYS 38 HD2 LYS 38 0.451 -0.218 4.993 259 2HD LYS 38 HD3 LYS 38 1.574 0.085 3.683 260 1HE LYS 38 2HE LYS 38 2.732 -1.933 4.013 261 2HE LYS 38 3HE LYS 38 2.320 -2.020 5.714 262 1HZ LYS 38 HZ1 LYS 38 0.001 -2.132 4.020 263 2HZ LYS 38 HZ2 LYS 38 1.029 -3.359 3.724 264 H GLN 39 HN GLN 39 0.600 3.099 4.146 265 HA GLN 39 HA GLN 39 -1.943 1.745 3.805 266 1HB GLN 39 1HB GLN 39 -1.844 4.471 4.254 267 2HB GLN 39 2HB GLN 39 -1.790 4.412 2.504 268 1HG GLN 39 1HG GLN 39 -3.996 3.894 2.396 269 2HG GLN 39 2HG GLN 39 -3.766 2.501 3.435 270 1HE2 GLN 39 1HE2 GLN 39 -4.006 6.044 3.500 271 2HE2 GLN 39 2HE2 GLN 39 -4.846 6.185 5.008 Start of MODEL 16 1 1H MET 1 HN MET 1 4.640 2.755 -3.592 2 HA MET 1 HA MET 1 2.075 2.250 -3.415 3 1HB MET 1 1HB MET 1 3.632 -0.344 -3.260 4 2HB MET 1 2HB MET 1 2.257 -0.168 -2.188 5 1HG MET 1 1HG MET 1 0.711 0.046 -3.995 6 2HG MET 1 2HG MET 1 1.965 0.464 -5.146 7 1HE MET 1 1HE MET 1 -0.040 -3.235 -4.901 8 2HE MET 1 2HE MET 1 -0.435 -1.502 -4.819 9 3HE MET 1 3HE MET 1 0.188 -2.202 -6.331 10 H ASP 2 HN ASP 2 5.049 1.094 -1.679 11 HA ASP 2 HA ASP 2 4.172 1.360 0.854 12 1HB ASP 2 1HB ASP 2 6.886 1.925 -0.402 13 2HB ASP 2 2HB ASP 2 6.656 2.037 1.332 14 HD2 ASP 2 HD2 ASP 2 7.265 -0.320 -1.141 15 H ILE 3 HN ILE 3 3.121 3.156 1.733 16 HA ILE 3 HA ILE 3 4.414 5.750 1.358 17 HB ILE 3 HB ILE 3 1.489 5.151 0.912 18 1HG1 ILE 3 2HG1 ILE 3 3.360 6.544 -0.996 19 2HG1 ILE 3 3HG1 ILE 3 3.293 4.794 -0.931 20 1HG2 ILE 3 1HG2 ILE 3 0.932 7.302 1.218 21 2HG2 ILE 3 2HG2 ILE 3 2.417 7.373 2.197 22 3HG2 ILE 3 3HG2 ILE 3 2.444 7.906 0.499 23 1HD1 ILE 3 1HD1 ILE 3 1.735 5.768 -2.642 24 2HD1 ILE 3 2HD1 ILE 3 0.885 4.806 -1.409 25 3HD1 ILE 3 3HD1 ILE 3 0.853 6.584 -1.329 26 H TYR 4 HN TYR 4 4.406 7.022 3.132 27 HA TYR 4 HA TYR 4 3.097 5.888 5.560 28 1HB TYR 4 1HB TYR 4 5.812 7.141 5.127 29 2HB TYR 4 2HB TYR 4 5.055 7.106 6.729 30 HD1 TYR 4 HD1 TYR 4 4.341 4.814 7.664 31 HD2 TYR 4 HD2 TYR 4 7.013 5.289 4.333 32 HE1 TYR 4 HE1 TYR 4 5.185 2.509 8.013 33 HE2 TYR 4 HE2 TYR 4 7.857 2.983 4.683 34 HH TYR 4 HH TYR 4 7.809 1.126 6.026 35 H VAL 5 HN VAL 5 1.177 7.236 5.246 36 HA VAL 5 HA VAL 5 1.706 10.104 5.265 37 HB VAL 5 HB VAL 5 -0.901 8.598 4.995 38 1HG1 VAL 5 1HG1 VAL 5 -0.499 11.257 5.574 39 2HG1 VAL 5 2HG1 VAL 5 -0.632 11.275 3.799 40 3HG1 VAL 5 3HG1 VAL 5 -1.943 10.581 4.784 41 1HG2 VAL 5 1HG2 VAL 5 -0.716 8.747 2.636 42 2HG2 VAL 5 2HG2 VAL 5 0.696 9.826 2.734 43 3HG2 VAL 5 3HG2 VAL 5 0.848 8.116 3.201 44 H CYS 6 HN CYS 6 1.497 11.335 7.079 45 HA CYS 6 HA CYS 6 1.167 10.046 9.548 46 1HB CYS 6 1HB CYS 6 2.515 12.115 9.093 47 2HB CYS 6 2HB CYS 6 1.013 13.012 8.985 48 H THR 7 HN THR 7 -0.616 10.244 11.075 49 HA THR 7 HA THR 7 -3.166 10.864 9.740 50 HB THR 7 HB THR 7 -4.110 9.204 11.324 51 HG1 THR 7 HG1 THR 7 -2.503 9.777 13.021 52 1HG2 THR 7 1HG2 THR 7 -3.322 7.938 9.482 53 2HG2 THR 7 2HG2 THR 7 -1.630 8.411 9.763 54 3HG2 THR 7 3HG2 THR 7 -2.408 7.218 10.829 55 H VAL 8 HN VAL 8 -1.130 12.687 11.188 56 HA VAL 8 HA VAL 8 -3.028 13.671 13.205 57 HB VAL 8 HB VAL 8 -0.021 13.899 13.019 58 1HG1 VAL 8 1HG1 VAL 8 -1.659 14.965 15.312 59 2HG1 VAL 8 2HG1 VAL 8 0.011 15.358 14.836 60 3HG1 VAL 8 3HG1 VAL 8 -1.357 15.964 13.871 61 1HG2 VAL 8 1HG2 VAL 8 0.125 12.251 14.548 62 2HG2 VAL 8 2HG2 VAL 8 -1.279 12.844 15.468 63 3HG2 VAL 8 3HG2 VAL 8 -1.524 11.837 14.021 64 H CYS 9 HN CYS 9 -0.584 14.653 10.711 65 HA CYS 9 HA CYS 9 -2.081 17.154 10.454 66 1HB CYS 9 1HB CYS 9 0.039 17.872 9.190 67 2HB CYS 9 2HB CYS 9 0.075 17.790 10.940 68 H GLY 10 HN GLY 10 -1.075 14.124 8.960 69 1HA GLY 10 HA1 GLY 10 -2.085 13.165 7.122 70 2HA GLY 10 HA2 GLY 10 -2.728 14.721 6.634 71 H TYR 11 HN TYR 11 0.607 14.533 7.612 72 HA TYR 11 HA TYR 11 1.604 15.594 5.181 73 1HB TYR 11 1HB TYR 11 2.709 15.775 7.386 74 2HB TYR 11 2HB TYR 11 3.037 14.034 7.358 75 HD1 TYR 11 HD1 TYR 11 5.200 13.448 6.822 76 HD2 TYR 11 HD2 TYR 11 3.495 16.961 5.031 77 HE1 TYR 11 HE1 TYR 11 7.327 13.865 5.615 78 HE2 TYR 11 HE2 TYR 11 5.621 17.378 3.825 79 HH TYR 11 HH TYR 11 8.359 16.491 4.439 80 H GLU 12 HN GLU 12 3.341 14.456 3.768 81 HA GLU 12 HA GLU 12 2.604 11.652 3.482 82 1HB GLU 12 1HB GLU 12 2.352 13.854 1.522 83 2HB GLU 12 2HB GLU 12 3.209 12.463 0.889 84 1HG GLU 12 1HG GLU 12 1.357 11.068 1.031 85 2HG GLU 12 2HG GLU 12 0.720 11.872 2.452 86 HE2 GLU 12 HE2 GLU 12 -0.792 13.875 1.807 87 H TYR 13 HN TYR 13 4.271 10.275 3.178 88 HA TYR 13 HA TYR 13 6.988 11.482 2.954 89 1HB TYR 13 1HB TYR 13 6.562 10.431 5.119 90 2HB TYR 13 2HB TYR 13 6.048 8.937 4.317 91 HD1 TYR 13 HD1 TYR 13 7.586 7.217 4.202 92 HD2 TYR 13 HD2 TYR 13 9.001 11.271 4.330 93 HE1 TYR 13 HE1 TYR 13 9.927 6.400 4.227 94 HE2 TYR 13 HE2 TYR 13 11.342 10.453 4.354 95 HH TYR 13 HH TYR 13 12.474 7.907 3.434 96 H ASP 14 HN ASP 14 8.652 9.876 1.938 97 HA ASP 14 HA ASP 14 7.313 8.187 0.001 98 1HB ASP 14 1HB ASP 14 8.046 10.591 -0.852 99 2HB ASP 14 2HB ASP 14 9.662 9.916 -0.828 100 HD2 ASP 14 HD2 ASP 14 9.966 8.113 -2.680 101 HA PRO 15 HA PRO 15 10.351 5.703 2.390 102 1HB PRO 15 1HB PRO 15 9.389 3.952 0.082 103 2HB PRO 15 2HB PRO 15 9.741 3.530 1.789 104 1HG PRO 15 1HG PRO 15 7.481 4.036 0.817 105 2HG PRO 15 2HG PRO 15 7.393 4.497 2.549 106 1HD PRO 15 HD2 PRO 15 7.168 6.211 0.219 107 2HD PRO 15 HD3 PRO 15 7.239 6.720 1.933 108 H ALA 16 HN ALA 16 12.353 6.750 1.869 109 HA ALA 16 HA ALA 16 13.947 5.533 -0.024 110 1HB ALA 16 1HB ALA 16 12.577 8.066 -0.984 111 2HB ALA 16 2HB ALA 16 14.127 7.503 -1.655 112 3HB ALA 16 3HB ALA 16 12.672 6.487 -1.799 113 H PHE 17 HN PHE 17 14.827 5.753 2.284 114 HA PHE 17 HA PHE 17 16.445 8.185 2.350 115 1HB PHE 17 1HB PHE 17 14.281 7.383 4.116 116 2HB PHE 17 2HB PHE 17 15.770 7.190 5.019 117 HD1 PHE 17 HD1 PHE 17 15.511 8.945 6.575 118 HD2 PHE 17 HD2 PHE 17 15.157 9.762 2.426 119 HE1 PHE 17 HE1 PHE 17 15.538 11.408 7.058 120 HE2 PHE 17 HE2 PHE 17 15.183 12.225 2.909 121 HZ PHE 17 HZ PHE 17 15.374 13.018 5.219 122 H GLU 18 HN GLU 18 18.218 7.869 4.198 123 HA GLU 18 HA GLU 18 19.736 5.702 3.388 124 1HB GLU 18 1HB GLU 18 21.115 6.358 5.509 125 2HB GLU 18 2HB GLU 18 20.964 7.526 4.212 126 1HG GLU 18 1HG GLU 18 19.698 8.964 5.474 127 2HG GLU 18 2HG GLU 18 18.755 7.670 6.188 128 HE2 GLU 18 HE2 GLU 18 21.959 9.201 6.556 129 H ASP 19 HN ASP 19 17.464 6.174 6.105 130 HA ASP 19 HA ASP 19 17.211 3.403 6.417 131 1HB ASP 19 1HB ASP 19 19.357 4.491 7.859 132 2HB ASP 19 2HB ASP 19 18.064 4.475 9.041 133 HD2 ASP 19 HD2 ASP 19 19.861 1.120 7.984 134 H LEU 20 HN LEU 20 15.996 3.193 8.890 135 HA LEU 20 HA LEU 20 14.353 5.549 9.306 136 1HB LEU 20 1HB LEU 20 13.410 3.827 7.526 137 2HB LEU 20 2HB LEU 20 12.913 2.960 8.965 138 HG LEU 20 HG LEU 20 12.135 5.668 9.337 139 1HD1 LEU 20 1HD1 LEU 20 11.062 6.383 7.449 140 2HD1 LEU 20 2HD1 LEU 20 12.445 5.536 6.714 141 3HD1 LEU 20 3HD1 LEU 20 10.857 4.737 6.801 142 1HD2 LEU 20 1HD2 LEU 20 9.988 4.766 9.646 143 2HD2 LEU 20 2HD2 LEU 20 10.312 3.390 8.564 144 3HD2 LEU 20 3HD2 LEU 20 11.109 3.481 10.153 145 HA PRO 21 HA PRO 21 16.018 3.710 13.154 146 1HB PRO 21 1HB PRO 21 15.273 6.551 13.909 147 2HB PRO 21 2HB PRO 21 16.733 5.582 14.299 148 1HG PRO 21 1HG PRO 21 16.974 7.440 12.288 149 2HG PRO 21 2HG PRO 21 17.733 5.826 12.093 150 1HD PRO 21 HD2 PRO 21 15.025 6.858 11.106 151 2HD PRO 21 HD3 PRO 21 16.257 5.914 10.215 152 H ASP 22 HN ASP 22 14.893 3.905 15.490 153 HA ASP 22 HA ASP 22 12.067 3.550 14.932 154 1HB ASP 22 1HB ASP 22 12.207 2.540 17.367 155 2HB ASP 22 2HB ASP 22 12.800 1.607 16.008 156 HD2 ASP 22 HD2 ASP 22 15.475 0.902 16.970 157 H ASP 23 HN ASP 23 12.446 6.177 14.937 158 HA ASP 23 HA ASP 23 11.074 7.130 17.106 159 1HB ASP 23 1HB ASP 23 13.536 6.675 18.043 160 2HB ASP 23 2HB ASP 23 13.910 8.181 17.229 161 HD2 ASP 23 HD2 ASP 23 11.699 9.585 17.764 162 H TRP 24 HN TRP 24 10.480 7.593 14.593 163 HA TRP 24 HA TRP 24 11.864 10.014 13.698 164 1HB TRP 24 1HB TRP 24 11.549 7.927 12.224 165 2HB TRP 24 2HB TRP 24 9.870 8.413 12.113 166 HD1 TRP 24 HD1 TRP 24 13.132 10.562 11.771 167 HE1 TRP 24 HE1 TRP 24 13.063 11.985 9.550 168 HE3 TRP 24 HE3 TRP 24 8.660 8.772 10.142 169 HZ2 TRP 24 HZ2 TRP 24 11.188 12.197 7.409 170 HZ3 TRP 24 HZ3 TRP 24 7.781 9.638 7.978 171 HH2 TRP 24 HH2 TRP 24 8.968 11.292 6.625 172 H ALA 25 HN ALA 25 10.779 11.983 13.658 173 HA ALA 25 HA ALA 25 7.964 11.892 14.507 174 1HB ALA 25 1HB ALA 25 8.418 14.010 15.704 175 2HB ALA 25 2HB ALA 25 9.449 12.688 16.305 176 3HB ALA 25 3HB ALA 25 10.126 13.919 15.211 177 H CYS 26 HN CYS 26 6.510 13.174 13.361 178 HA CYS 26 HA CYS 26 7.094 13.764 10.751 179 1HB CYS 26 1HB CYS 26 4.839 13.639 12.178 180 2HB CYS 26 2HB CYS 26 5.004 15.382 12.125 181 HA PRO 27 HA PRO 27 9.474 17.482 11.119 182 1HB PRO 27 1HB PRO 27 9.499 18.213 8.505 183 2HB PRO 27 2HB PRO 27 10.305 16.711 9.061 184 1HG PRO 27 1HG PRO 27 7.345 16.816 7.837 185 2HG PRO 27 2HG PRO 27 8.834 15.923 7.386 186 1HD PRO 27 HD2 PRO 27 6.938 14.930 9.141 187 2HD PRO 27 HD3 PRO 27 8.682 14.559 9.304 188 H VAL 28 HN VAL 28 6.111 17.238 10.664 189 HA VAL 28 HA VAL 28 5.895 20.161 10.447 190 HB VAL 28 HB VAL 28 3.882 18.022 9.726 191 1HG1 VAL 28 1HG1 VAL 28 3.267 20.521 10.520 192 2HG1 VAL 28 2HG1 VAL 28 3.585 20.835 8.798 193 3HG1 VAL 28 3HG1 VAL 28 2.351 19.643 9.272 194 1HG2 VAL 28 1HG2 VAL 28 4.498 19.452 7.429 195 2HG2 VAL 28 2HG2 VAL 28 6.077 19.245 8.224 196 3HG2 VAL 28 3HG2 VAL 28 5.079 17.821 7.842 197 H CYS 29 HN CYS 29 3.311 17.923 11.440 198 HA CYS 29 HA CYS 29 2.483 19.326 13.574 199 1HB CYS 29 1HB CYS 29 1.472 17.273 14.424 200 2HB CYS 29 2HB CYS 29 1.245 17.459 12.696 201 H GLY 30 HN GLY 30 5.086 16.817 13.437 202 1HA GLY 30 HA1 GLY 30 6.994 16.777 14.714 203 2HA GLY 30 HA2 GLY 30 6.327 17.989 15.790 204 H ALA 31 HN ALA 31 4.589 15.018 14.771 205 HA ALA 31 HA ALA 31 4.478 14.248 17.583 206 1HB ALA 31 1HB ALA 31 2.945 13.114 15.215 207 2HB ALA 31 2HB ALA 31 2.558 12.950 16.945 208 3HB ALA 31 3HB ALA 31 2.404 14.533 16.144 209 H SER 32 HN SER 32 4.673 11.859 18.081 210 HA SER 32 HA SER 32 7.118 10.962 17.042 211 1HB SER 32 1HB SER 32 6.488 8.856 18.429 212 2HB SER 32 2HB SER 32 6.713 10.366 19.287 213 HG SER 32 HG SER 32 4.086 9.802 18.349 214 H LYS 33 HN LYS 33 7.511 8.879 15.909 215 HA LYS 33 HA LYS 33 6.223 8.566 13.588 216 1HB LYS 33 1HB LYS 33 8.321 7.451 14.200 217 2HB LYS 33 2HB LYS 33 7.458 6.365 15.270 218 1HG LYS 33 1HG LYS 33 6.456 6.523 12.445 219 2HG LYS 33 2HG LYS 33 8.018 5.761 12.673 220 1HD LYS 33 HD2 LYS 33 6.523 4.616 14.722 221 2HD LYS 33 HD3 LYS 33 5.318 4.807 13.463 222 1HE LYS 33 2HE LYS 33 6.553 3.462 11.907 223 2HE LYS 33 3HE LYS 33 8.034 3.592 12.835 224 1HZ LYS 33 HZ1 LYS 33 6.167 1.580 13.048 225 2HZ LYS 33 HZ2 LYS 33 7.420 1.825 14.060 226 H ASP 34 HN ASP 34 5.335 6.961 16.706 227 HA ASP 34 HA ASP 34 3.384 5.342 15.839 228 1HB ASP 34 1HB ASP 34 2.255 5.852 18.094 229 2HB ASP 34 2HB ASP 34 3.926 5.327 18.162 230 HD2 ASP 34 HD2 ASP 34 5.439 6.849 18.656 231 H ALA 35 HN ALA 35 2.078 6.173 14.105 232 HA ALA 35 HA ALA 35 -0.269 7.342 14.561 233 1HB ALA 35 1HB ALA 35 0.531 9.791 13.622 234 2HB ALA 35 2HB ALA 35 0.236 9.417 15.338 235 3HB ALA 35 3HB ALA 35 1.892 9.366 14.688 236 H PHE 36 HN PHE 36 2.623 7.072 12.542 237 HA PHE 36 HA PHE 36 1.253 7.654 10.110 238 1HB PHE 36 1HB PHE 36 3.923 6.457 11.006 239 2HB PHE 36 2HB PHE 36 3.501 6.447 9.305 240 HD1 PHE 36 HD1 PHE 36 3.822 8.775 12.197 241 HD2 PHE 36 HD2 PHE 36 4.025 8.285 7.986 242 HE1 PHE 36 HE1 PHE 36 4.697 11.117 11.967 243 HE2 PHE 36 HE2 PHE 36 4.901 10.626 7.756 244 HZ PHE 36 HZ PHE 36 5.226 12.014 9.749 245 H GLU 37 HN GLU 37 0.385 6.239 8.586 246 HA GLU 37 HA GLU 37 0.310 3.457 9.463 247 1HB GLU 37 1HB GLU 37 -1.840 5.199 9.101 248 2HB GLU 37 2HB GLU 37 -1.817 4.302 7.595 249 1HG GLU 37 1HG GLU 37 -3.231 3.187 9.330 250 2HG GLU 37 2HG GLU 37 -1.913 2.161 8.797 251 HE2 GLU 37 HE2 GLU 37 -0.990 1.204 10.637 252 H LYS 38 HN LYS 38 0.599 1.805 7.872 253 HA LYS 38 HA LYS 38 2.042 2.742 5.546 254 1HB LYS 38 1HB LYS 38 2.807 0.879 7.117 255 2HB LYS 38 2HB LYS 38 1.556 -0.118 6.403 256 1HG LYS 38 1HG LYS 38 2.930 -0.581 4.664 257 2HG LYS 38 2HG LYS 38 2.921 1.112 4.214 258 1HD LYS 38 HD2 LYS 38 5.156 1.073 4.664 259 2HD LYS 38 HD3 LYS 38 4.686 1.129 6.351 260 1HE LYS 38 2HE LYS 38 4.724 -1.574 5.021 261 2HE LYS 38 3HE LYS 38 6.272 -0.826 5.364 262 1HZ LYS 38 HZ1 LYS 38 5.924 -0.991 7.614 263 2HZ LYS 38 HZ2 LYS 38 4.309 -0.805 7.530 264 H GLN 39 HN GLN 39 0.472 3.658 4.185 265 HA GLN 39 HA GLN 39 -1.447 1.695 3.194 266 1HB GLN 39 1HB GLN 39 -2.219 3.894 4.534 267 2HB GLN 39 2HB GLN 39 -2.021 4.641 2.962 268 1HG GLN 39 1HG GLN 39 -3.604 3.099 1.935 269 2HG GLN 39 2HG GLN 39 -3.648 2.095 3.371 270 1HE2 GLN 39 1HE2 GLN 39 -4.955 2.580 5.031 271 2HE2 GLN 39 2HE2 GLN 39 -6.049 3.922 5.089 Start of MODEL 17 1 1H MET 1 HN MET 1 3.072 -1.109 -3.692 2 HA MET 1 HA MET 1 3.049 1.039 -3.334 3 1HB MET 1 1HB MET 1 0.420 0.210 -2.137 4 2HB MET 1 2HB MET 1 1.015 1.771 -1.606 5 1HG MET 1 1HG MET 1 1.456 1.846 -4.374 6 2HG MET 1 2HG MET 1 -0.058 0.973 -4.245 7 1HE MET 1 1HE MET 1 0.597 3.478 -5.598 8 2HE MET 1 2HE MET 1 -1.158 3.766 -5.517 9 3HE MET 1 3HE MET 1 -0.025 5.004 -4.923 10 H ASP 2 HN ASP 2 4.023 2.530 -1.865 11 HA ASP 2 HA ASP 2 4.215 1.635 0.876 12 1HB ASP 2 1HB ASP 2 6.305 1.273 -1.014 13 2HB ASP 2 2HB ASP 2 6.784 2.676 -0.080 14 HD2 ASP 2 HD2 ASP 2 7.103 -0.825 0.324 15 H ILE 3 HN ILE 3 3.419 3.468 1.927 16 HA ILE 3 HA ILE 3 4.755 5.968 1.504 17 HB ILE 3 HB ILE 3 2.005 5.475 0.467 18 1HG1 ILE 3 2HG1 ILE 3 3.177 7.561 -0.913 19 2HG1 ILE 3 3HG1 ILE 3 4.561 6.578 -0.474 20 1HG2 ILE 3 1HG2 ILE 3 1.435 7.852 0.675 21 2HG2 ILE 3 2HG2 ILE 3 1.606 7.070 2.265 22 3HG2 ILE 3 3HG2 ILE 3 2.904 8.119 1.645 23 1HD1 ILE 3 1HD1 ILE 3 3.893 5.579 -2.488 24 2HD1 ILE 3 2HD1 ILE 3 3.057 4.558 -1.295 25 3HD1 ILE 3 3HD1 ILE 3 2.163 5.832 -2.156 26 H TYR 4 HN TYR 4 4.633 7.258 3.277 27 HA TYR 4 HA TYR 4 3.095 6.137 5.574 28 1HB TYR 4 1HB TYR 4 5.812 7.434 5.348 29 2HB TYR 4 2HB TYR 4 4.925 7.433 6.883 30 HD1 TYR 4 HD1 TYR 4 3.910 4.998 7.499 31 HD2 TYR 4 HD2 TYR 4 7.348 5.739 5.031 32 HE1 TYR 4 HE1 TYR 4 4.751 2.715 7.982 33 HE2 TYR 4 HE2 TYR 4 8.187 3.457 5.515 34 HH TYR 4 HH TYR 4 6.358 1.151 7.541 35 H VAL 5 HN VAL 5 1.170 7.422 5.187 36 HA VAL 5 HA VAL 5 1.612 10.306 5.172 37 HB VAL 5 HB VAL 5 -0.851 8.613 4.701 38 1HG1 VAL 5 1HG1 VAL 5 -0.968 11.116 5.646 39 2HG1 VAL 5 2HG1 VAL 5 -0.744 11.492 3.920 40 3HG1 VAL 5 3HG1 VAL 5 -2.122 10.493 4.442 41 1HG2 VAL 5 1HG2 VAL 5 0.070 8.305 2.680 42 2HG2 VAL 5 2HG2 VAL 5 -0.279 10.024 2.384 43 3HG2 VAL 5 3HG2 VAL 5 1.327 9.531 2.972 44 H CYS 6 HN CYS 6 1.583 11.401 7.060 45 HA CYS 6 HA CYS 6 1.049 10.181 9.479 46 1HB CYS 6 1HB CYS 6 2.399 12.260 9.062 47 2HB CYS 6 2HB CYS 6 0.894 13.144 8.903 48 H THR 7 HN THR 7 -0.787 10.452 10.962 49 HA THR 7 HA THR 7 -3.289 11.022 9.518 50 HB THR 7 HB THR 7 -4.252 9.426 11.260 51 HG1 THR 7 HG1 THR 7 -2.436 9.792 12.768 52 1HG2 THR 7 1HG2 THR 7 -2.311 7.545 10.392 53 2HG2 THR 7 2HG2 THR 7 -3.880 7.875 9.620 54 3HG2 THR 7 3HG2 THR 7 -2.420 8.734 9.073 55 H VAL 8 HN VAL 8 -1.291 12.834 11.068 56 HA VAL 8 HA VAL 8 -3.278 13.841 12.984 57 HB VAL 8 HB VAL 8 -0.264 13.979 12.932 58 1HG1 VAL 8 1HG1 VAL 8 -1.384 16.176 13.569 59 2HG1 VAL 8 2HG1 VAL 8 -2.036 15.321 14.988 60 3HG1 VAL 8 3HG1 VAL 8 -0.276 15.475 14.773 61 1HG2 VAL 8 1HG2 VAL 8 -1.435 11.921 13.836 62 2HG2 VAL 8 2HG2 VAL 8 -0.341 12.748 14.971 63 3HG2 VAL 8 3HG2 VAL 8 -2.102 12.962 15.116 64 H CYS 9 HN CYS 9 -0.696 14.828 10.631 65 HA CYS 9 HA CYS 9 -2.198 17.314 10.273 66 1HB CYS 9 1HB CYS 9 0.021 18.004 9.114 67 2HB CYS 9 2HB CYS 9 -0.109 18.022 10.861 68 H GLY 10 HN GLY 10 -1.181 14.262 8.887 69 1HA GLY 10 HA1 GLY 10 -2.072 13.314 6.987 70 2HA GLY 10 HA2 GLY 10 -2.616 14.884 6.430 71 H TYR 11 HN TYR 11 0.620 14.630 7.668 72 HA TYR 11 HA TYR 11 1.880 15.661 5.391 73 1HB TYR 11 1HB TYR 11 2.815 15.557 7.696 74 2HB TYR 11 2HB TYR 11 3.047 13.812 7.498 75 HD1 TYR 11 HD1 TYR 11 5.331 13.402 7.403 76 HD2 TYR 11 HD2 TYR 11 3.695 16.686 5.167 77 HE1 TYR 11 HE1 TYR 11 7.552 13.814 6.381 78 HE2 TYR 11 HE2 TYR 11 5.917 17.096 4.145 79 HH TYR 11 HH TYR 11 8.471 14.925 4.218 80 H GLU 12 HN GLU 12 3.251 14.653 3.729 81 HA GLU 12 HA GLU 12 2.507 11.859 3.331 82 1HB GLU 12 1HB GLU 12 2.337 14.201 1.525 83 2HB GLU 12 2HB GLU 12 3.118 12.814 0.793 84 1HG GLU 12 1HG GLU 12 1.112 11.802 0.511 85 2HG GLU 12 2HG GLU 12 0.831 11.836 2.241 86 HE2 GLU 12 HE2 GLU 12 -0.403 13.397 3.023 87 H TYR 13 HN TYR 13 4.144 10.471 3.202 88 HA TYR 13 HA TYR 13 6.879 11.571 2.754 89 1HB TYR 13 1HB TYR 13 6.424 10.750 5.059 90 2HB TYR 13 2HB TYR 13 6.026 9.159 4.389 91 HD1 TYR 13 HD1 TYR 13 7.687 7.545 4.275 92 HD2 TYR 13 HD2 TYR 13 8.801 11.692 4.362 93 HE1 TYR 13 HE1 TYR 13 10.079 6.900 4.379 94 HE2 TYR 13 HE2 TYR 13 11.194 11.047 4.467 95 HH TYR 13 HH TYR 13 12.338 7.890 3.858 96 H ASP 14 HN ASP 14 8.453 9.808 1.858 97 HA ASP 14 HA ASP 14 6.974 7.957 0.186 98 1HB ASP 14 1HB ASP 14 7.748 10.218 -0.966 99 2HB ASP 14 2HB ASP 14 9.343 9.494 -0.924 100 HD2 ASP 14 HD2 ASP 14 9.294 7.182 -2.343 101 HA PRO 15 HA PRO 15 10.069 5.698 2.738 102 1HB PRO 15 1HB PRO 15 8.888 3.647 0.820 103 2HB PRO 15 2HB PRO 15 9.284 3.516 2.564 104 1HG PRO 15 1HG PRO 15 6.769 4.020 1.777 105 2HG PRO 15 2HG PRO 15 7.365 4.714 3.319 106 1HD PRO 15 HD2 PRO 15 6.761 6.039 0.708 107 2HD PRO 15 HD3 PRO 15 6.955 6.774 2.329 108 H ALA 16 HN ALA 16 12.206 6.068 2.116 109 HA ALA 16 HA ALA 16 13.507 4.656 0.247 110 1HB ALA 16 1HB ALA 16 12.429 5.351 -1.669 111 2HB ALA 16 2HB ALA 16 12.023 6.947 -0.993 112 3HB ALA 16 3HB ALA 16 13.675 6.618 -1.567 113 H PHE 17 HN PHE 17 14.615 5.107 2.399 114 HA PHE 17 HA PHE 17 16.472 7.296 1.966 115 1HB PHE 17 1HB PHE 17 14.261 7.340 3.804 116 2HB PHE 17 2HB PHE 17 15.669 7.009 4.793 117 HD1 PHE 17 HD1 PHE 17 15.829 9.045 5.968 118 HD2 PHE 17 HD2 PHE 17 15.621 9.092 1.729 119 HE1 PHE 17 HE1 PHE 17 16.404 11.489 5.967 120 HE2 PHE 17 HE2 PHE 17 16.196 11.536 1.728 121 HZ PHE 17 HZ PHE 17 16.581 12.704 3.847 122 H GLU 18 HN GLU 18 18.343 7.144 3.616 123 HA GLU 18 HA GLU 18 19.321 4.537 3.501 124 1HB GLU 18 1HB GLU 18 21.185 5.513 4.960 125 2HB GLU 18 2HB GLU 18 20.904 6.322 3.431 126 1HG GLU 18 1HG GLU 18 19.148 7.547 5.340 127 2HG GLU 18 2HG GLU 18 20.713 7.407 6.117 128 HE2 GLU 18 HE2 GLU 18 20.402 10.142 5.400 129 H ASP 19 HN ASP 19 20.560 3.904 5.883 130 HA ASP 19 HA ASP 19 18.792 2.494 7.238 131 1HB ASP 19 1HB ASP 19 21.169 2.335 7.710 132 2HB ASP 19 2HB ASP 19 21.231 3.990 8.284 133 HD2 ASP 19 HD2 ASP 19 21.433 1.197 10.398 134 H LEU 20 HN LEU 20 16.840 3.144 8.166 135 HA LEU 20 HA LEU 20 16.448 5.831 9.008 136 1HB LEU 20 1HB LEU 20 14.862 3.728 8.178 137 2HB LEU 20 2HB LEU 20 14.482 3.856 9.884 138 HG LEU 20 HG LEU 20 14.501 6.481 8.650 139 1HD1 LEU 20 1HD1 LEU 20 13.038 4.299 7.223 140 2HD1 LEU 20 2HD1 LEU 20 12.259 5.890 7.389 141 3HD1 LEU 20 3HD1 LEU 20 13.841 5.754 6.584 142 1HD2 LEU 20 1HD2 LEU 20 12.809 6.829 10.079 143 2HD2 LEU 20 2HD2 LEU 20 11.952 5.349 9.588 144 3HD2 LEU 20 3HD2 LEU 20 13.284 5.256 10.765 145 HA PRO 21 HA PRO 21 17.703 5.436 13.189 146 1HB PRO 21 1HB PRO 21 16.566 7.672 14.221 147 2HB PRO 21 2HB PRO 21 17.829 7.772 12.951 148 1HG PRO 21 1HG PRO 21 14.844 7.916 12.618 149 2HG PRO 21 2HG PRO 21 16.096 8.991 11.915 150 1HD PRO 21 HD2 PRO 21 14.932 6.854 10.558 151 2HD PRO 21 HD3 PRO 21 16.601 7.420 10.240 152 H ASP 22 HN ASP 22 16.574 5.610 15.534 153 HA ASP 22 HA ASP 22 14.076 4.147 15.230 154 1HB ASP 22 1HB ASP 22 14.638 3.435 17.665 155 2HB ASP 22 2HB ASP 22 15.595 2.739 16.373 156 HD2 ASP 22 HD2 ASP 22 17.394 4.785 19.198 157 H ASP 23 HN ASP 23 13.483 6.713 14.982 158 HA ASP 23 HA ASP 23 11.865 7.398 16.987 159 1HB ASP 23 1HB ASP 23 14.681 8.190 17.567 160 2HB ASP 23 2HB ASP 23 13.520 9.490 17.739 161 HD2 ASP 23 HD2 ASP 23 11.496 7.252 19.045 162 H TRP 24 HN TRP 24 11.072 7.830 14.677 163 HA TRP 24 HA TRP 24 12.105 10.351 13.594 164 1HB TRP 24 1HB TRP 24 11.941 8.138 12.246 165 2HB TRP 24 2HB TRP 24 10.225 8.489 12.173 166 HD1 TRP 24 HD1 TRP 24 13.402 10.699 11.510 167 HE1 TRP 24 HE1 TRP 24 13.112 12.065 9.271 168 HE3 TRP 24 HE3 TRP 24 8.786 8.886 10.383 169 HZ2 TRP 24 HZ2 TRP 24 11.033 12.232 7.324 170 HZ3 TRP 24 HZ3 TRP 24 7.696 9.702 8.296 171 HH2 TRP 24 HH2 TRP 24 8.744 11.317 6.789 172 H ALA 25 HN ALA 25 10.793 12.170 13.582 173 HA ALA 25 HA ALA 25 8.016 11.765 14.451 174 1HB ALA 25 1HB ALA 25 9.380 14.284 15.242 175 2HB ALA 25 2HB ALA 25 8.243 13.262 16.154 176 3HB ALA 25 3HB ALA 25 9.962 12.811 16.054 177 H CYS 26 HN CYS 26 6.466 13.006 13.373 178 HA CYS 26 HA CYS 26 7.018 13.787 10.809 179 1HB CYS 26 1HB CYS 26 4.773 13.352 12.076 180 2HB CYS 26 2HB CYS 26 4.802 15.080 12.368 181 HA PRO 27 HA PRO 27 9.153 17.623 11.417 182 1HB PRO 27 1HB PRO 27 9.105 18.490 8.825 183 2HB PRO 27 2HB PRO 27 10.076 17.071 9.341 184 1HG PRO 27 1HG PRO 27 7.230 16.996 8.061 185 2HG PRO 27 2HG PRO 27 8.759 16.167 7.618 186 1HD PRO 27 HD2 PRO 27 6.848 15.021 9.247 187 2HD PRO 27 HD3 PRO 27 8.597 14.722 9.484 188 H VAL 28 HN VAL 28 5.815 17.173 10.844 189 HA VAL 28 HA VAL 28 5.390 20.077 10.737 190 HB VAL 28 HB VAL 28 3.533 17.788 10.053 191 1HG1 VAL 28 1HG1 VAL 28 2.654 20.121 10.951 192 2HG1 VAL 28 2HG1 VAL 28 3.002 20.636 9.283 193 3HG1 VAL 28 3HG1 VAL 28 1.865 19.300 9.583 194 1HG2 VAL 28 1HG2 VAL 28 4.739 17.733 8.154 195 2HG2 VAL 28 2HG2 VAL 28 3.898 19.250 7.754 196 3HG2 VAL 28 3HG2 VAL 28 5.518 19.299 8.488 197 H CYS 29 HN CYS 29 3.017 17.641 11.803 198 HA CYS 29 HA CYS 29 2.208 19.004 13.996 199 1HB CYS 29 1HB CYS 29 1.343 16.838 14.844 200 2HB CYS 29 2HB CYS 29 0.914 17.197 13.183 201 H GLY 30 HN GLY 30 4.715 16.381 13.782 202 1HA GLY 30 HA1 GLY 30 6.767 16.625 14.974 203 2HA GLY 30 HA2 GLY 30 5.911 17.456 16.258 204 H ALA 31 HN ALA 31 3.670 15.218 15.537 205 HA ALA 31 HA ALA 31 4.095 13.665 17.780 206 1HB ALA 31 1HB ALA 31 2.560 12.090 16.095 207 2HB ALA 31 2HB ALA 31 1.941 13.386 17.147 208 3HB ALA 31 3HB ALA 31 2.308 13.725 15.438 209 H SER 32 HN SER 32 4.454 11.228 17.816 210 HA SER 32 HA SER 32 6.927 10.740 16.534 211 1HB SER 32 1HB SER 32 6.930 8.651 17.795 212 2HB SER 32 2HB SER 32 6.383 9.948 18.839 213 HG SER 32 HG SER 32 4.426 9.053 19.000 214 H LYS 33 HN LYS 33 7.224 8.398 15.475 215 HA LYS 33 HA LYS 33 5.393 8.353 13.253 216 1HB LYS 33 1HB LYS 33 6.994 6.595 12.414 217 2HB LYS 33 2HB LYS 33 7.682 8.185 12.683 218 1HG LYS 33 1HG LYS 33 8.965 7.488 14.483 219 2HG LYS 33 2HG LYS 33 7.771 6.329 15.030 220 1HD LYS 33 HD2 LYS 33 8.537 5.269 12.564 221 2HD LYS 33 HD3 LYS 33 10.037 5.954 13.158 222 1HE LYS 33 2HE LYS 33 9.443 4.748 15.418 223 2HE LYS 33 3HE LYS 33 8.300 3.827 14.461 224 1HZ LYS 33 HZ1 LYS 33 10.807 3.905 13.138 225 2HZ LYS 33 HZ2 LYS 33 11.029 3.371 14.661 226 H ASP 34 HN ASP 34 3.820 7.837 15.361 227 HA ASP 34 HA ASP 34 3.614 4.929 15.365 228 1HB ASP 34 1HB ASP 34 3.980 5.959 17.609 229 2HB ASP 34 2HB ASP 34 2.572 6.977 17.379 230 HD2 ASP 34 HD2 ASP 34 2.227 4.910 19.668 231 H ALA 35 HN ALA 35 1.966 8.116 15.077 232 HA ALA 35 HA ALA 35 -0.627 7.006 14.676 233 1HB ALA 35 1HB ALA 35 0.013 9.328 15.575 234 2HB ALA 35 2HB ALA 35 0.342 9.770 13.882 235 3HB ALA 35 3HB ALA 35 -1.295 9.269 14.368 236 H PHE 36 HN PHE 36 2.237 7.388 12.747 237 HA PHE 36 HA PHE 36 1.045 7.783 10.244 238 1HB PHE 36 1HB PHE 36 3.627 6.610 11.378 239 2HB PHE 36 2HB PHE 36 3.342 6.501 9.653 240 HD1 PHE 36 HD1 PHE 36 3.654 8.914 12.449 241 HD2 PHE 36 HD2 PHE 36 3.757 8.340 8.245 242 HE1 PHE 36 HE1 PHE 36 4.550 11.240 12.153 243 HE2 PHE 36 HE2 PHE 36 4.653 10.665 7.949 244 HZ PHE 36 HZ PHE 36 5.040 12.088 9.907 245 H GLU 37 HN GLU 37 0.128 6.398 8.759 246 HA GLU 37 HA GLU 37 0.408 3.563 9.277 247 1HB GLU 37 1HB GLU 37 -1.696 4.235 10.392 248 2HB GLU 37 2HB GLU 37 -2.270 4.980 8.913 249 1HG GLU 37 1HG GLU 37 -2.227 2.779 7.759 250 2HG GLU 37 2HG GLU 37 -1.577 2.017 9.197 251 HE2 GLU 37 HE2 GLU 37 -4.068 1.374 10.727 252 H LYS 38 HN LYS 38 0.379 2.279 7.383 253 HA LYS 38 HA LYS 38 1.002 3.637 5.000 254 1HB LYS 38 1HB LYS 38 1.990 1.504 5.476 255 2HB LYS 38 2HB LYS 38 0.425 0.733 5.632 256 1HG LYS 38 1HG LYS 38 -0.015 1.433 3.182 257 2HG LYS 38 2HG LYS 38 1.680 1.866 3.095 258 1HD LYS 38 HD2 LYS 38 1.209 -0.828 4.249 259 2HD LYS 38 HD3 LYS 38 0.639 -0.668 2.599 260 1HE LYS 38 2HE LYS 38 2.883 0.196 1.904 261 2HE LYS 38 3HE LYS 38 3.454 0.049 3.554 262 1HZ LYS 38 HZ1 LYS 38 3.116 -2.336 3.439 263 2HZ LYS 38 HZ2 LYS 38 2.440 -2.244 1.960 264 H GLN 39 HN GLN 39 -0.191 4.028 3.125 265 HA GLN 39 HA GLN 39 -2.958 3.184 3.180 266 1HB GLN 39 1HB GLN 39 -3.767 5.457 2.637 267 2HB GLN 39 2HB GLN 39 -2.982 5.426 4.203 268 1HG GLN 39 1HG GLN 39 -1.604 7.081 3.501 269 2HG GLN 39 2HG GLN 39 -0.897 5.963 2.352 270 1HE2 GLN 39 1HE2 GLN 39 -3.601 8.191 2.857 271 2HE2 GLN 39 2HE2 GLN 39 -3.805 8.683 1.209 Start of MODEL 18 1 1H MET 1 HN MET 1 1.399 3.031 -2.609 2 HA MET 1 HA MET 1 2.032 0.251 -3.178 3 1HB MET 1 1HB MET 1 2.752 2.594 -4.752 4 2HB MET 1 2HB MET 1 4.217 1.940 -4.046 5 1HG MET 1 1HG MET 1 3.435 -0.375 -4.904 6 2HG MET 1 2HG MET 1 2.209 0.478 -5.819 7 1HE MET 1 1HE MET 1 5.102 -1.159 -5.771 8 2HE MET 1 2HE MET 1 5.940 -0.757 -7.288 9 3HE MET 1 3HE MET 1 6.421 0.036 -5.769 10 H ASP 2 HN ASP 2 3.513 3.412 -2.134 11 HA ASP 2 HA ASP 2 4.210 2.228 0.356 12 1HB ASP 2 1HB ASP 2 6.514 3.357 -1.265 13 2HB ASP 2 2HB ASP 2 6.588 2.373 0.182 14 HD2 ASP 2 HD2 ASP 2 6.386 2.343 -3.152 15 H ILE 3 HN ILE 3 3.006 4.015 1.249 16 HA ILE 3 HA ILE 3 4.375 6.581 1.017 17 HB ILE 3 HB ILE 3 1.442 6.097 0.521 18 1HG1 ILE 3 2HG1 ILE 3 2.544 7.870 -1.358 19 2HG1 ILE 3 3HG1 ILE 3 3.756 6.620 -1.157 20 1HG2 ILE 3 1HG2 ILE 3 0.997 8.402 0.692 21 2HG2 ILE 3 2HG2 ILE 3 1.925 7.991 2.155 22 3HG2 ILE 3 3HG2 ILE 3 2.725 8.816 0.796 23 1HD1 ILE 3 1HD1 ILE 3 2.285 5.822 -2.873 24 2HD1 ILE 3 2HD1 ILE 3 1.847 4.904 -1.413 25 3HD1 ILE 3 3HD1 ILE 3 0.836 6.270 -1.942 26 H TYR 4 HN TYR 4 4.331 7.799 2.862 27 HA TYR 4 HA TYR 4 3.170 6.436 5.247 28 1HB TYR 4 1HB TYR 4 5.734 7.971 4.805 29 2HB TYR 4 2HB TYR 4 5.037 7.793 6.424 30 HD1 TYR 4 HD1 TYR 4 4.326 5.258 7.002 31 HD2 TYR 4 HD2 TYR 4 7.327 6.428 4.160 32 HE1 TYR 4 HE1 TYR 4 5.398 3.033 7.219 33 HE2 TYR 4 HE2 TYR 4 8.399 4.201 4.376 34 HH TYR 4 HH TYR 4 8.435 2.292 6.316 35 H VAL 5 HN VAL 5 1.167 7.539 5.426 36 HA VAL 5 HA VAL 5 1.398 10.465 5.507 37 HB VAL 5 HB VAL 5 -1.043 8.729 5.096 38 1HG1 VAL 5 1HG1 VAL 5 -1.926 10.704 5.886 39 2HG1 VAL 5 2HG1 VAL 5 -0.581 11.687 5.259 40 3HG1 VAL 5 3HG1 VAL 5 -1.827 11.070 4.147 41 1HG2 VAL 5 1HG2 VAL 5 -0.844 9.796 2.722 42 2HG2 VAL 5 2HG2 VAL 5 0.869 10.011 3.155 43 3HG2 VAL 5 3HG2 VAL 5 0.155 8.381 3.133 44 H CYS 6 HN CYS 6 1.550 11.282 7.526 45 HA CYS 6 HA CYS 6 1.122 9.765 9.803 46 1HB CYS 6 1HB CYS 6 2.430 11.985 9.411 47 2HB CYS 6 2HB CYS 6 0.909 12.760 9.809 48 H THR 7 HN THR 7 -0.609 9.994 11.454 49 HA THR 7 HA THR 7 -3.175 10.716 10.203 50 HB THR 7 HB THR 7 -4.085 9.021 11.859 51 HG1 THR 7 HG1 THR 7 -2.183 9.310 13.309 52 1HG2 THR 7 1HG2 THR 7 -3.070 8.400 9.465 53 2HG2 THR 7 2HG2 THR 7 -1.777 7.661 10.441 54 3HG2 THR 7 3HG2 THR 7 -3.459 7.108 10.626 55 H VAL 8 HN VAL 8 -0.955 12.233 11.917 56 HA VAL 8 HA VAL 8 -2.923 13.318 13.813 57 HB VAL 8 HB VAL 8 -0.862 12.065 14.688 58 1HG1 VAL 8 1HG1 VAL 8 1.202 12.778 14.212 59 2HG1 VAL 8 2HG1 VAL 8 0.474 13.847 12.990 60 3HG1 VAL 8 3HG1 VAL 8 0.791 14.458 14.631 61 1HG2 VAL 8 1HG2 VAL 8 -0.488 13.872 16.467 62 2HG2 VAL 8 2HG2 VAL 8 -1.646 14.859 15.543 63 3HG2 VAL 8 3HG2 VAL 8 -2.157 13.297 16.230 64 H CYS 9 HN CYS 9 -1.790 13.812 10.823 65 HA CYS 9 HA CYS 9 -2.250 16.605 10.970 66 1HB CYS 9 1HB CYS 9 -0.037 17.236 9.932 67 2HB CYS 9 2HB CYS 9 -0.038 16.898 11.652 68 H GLY 10 HN GLY 10 -0.917 13.750 9.206 69 1HA GLY 10 HA1 GLY 10 -2.017 12.884 7.307 70 2HA GLY 10 HA2 GLY 10 -2.589 14.490 6.900 71 H TYR 11 HN TYR 11 0.594 14.592 8.049 72 HA TYR 11 HA TYR 11 1.825 15.727 5.909 73 1HB TYR 11 1HB TYR 11 2.857 15.347 8.116 74 2HB TYR 11 2HB TYR 11 3.022 13.622 7.743 75 HD1 TYR 11 HD1 TYR 11 5.317 13.214 7.628 76 HD2 TYR 11 HD2 TYR 11 3.679 16.623 5.593 77 HE1 TYR 11 HE1 TYR 11 7.522 13.649 6.582 78 HE2 TYR 11 HE2 TYR 11 5.884 17.058 4.547 79 HH TYR 11 HH TYR 11 8.487 16.411 5.262 80 H GLU 12 HN GLU 12 3.268 14.932 4.147 81 HA GLU 12 HA GLU 12 2.576 12.207 3.383 82 1HB GLU 12 1HB GLU 12 2.104 14.740 1.902 83 2HB GLU 12 2HB GLU 12 2.859 13.480 0.946 84 1HG GLU 12 1HG GLU 12 0.827 12.150 2.410 85 2HG GLU 12 2HG GLU 12 0.098 13.664 1.912 86 HE2 GLU 12 HE2 GLU 12 -0.999 12.997 -0.228 87 H TYR 13 HN TYR 13 4.343 11.022 3.194 88 HA TYR 13 HA TYR 13 6.889 12.373 2.425 89 1HB TYR 13 1HB TYR 13 6.978 11.688 4.736 90 2HB TYR 13 2HB TYR 13 6.351 10.081 4.337 91 HD1 TYR 13 HD1 TYR 13 7.858 8.335 4.148 92 HD2 TYR 13 HD2 TYR 13 9.210 12.347 3.426 93 HE1 TYR 13 HE1 TYR 13 10.177 7.502 3.858 94 HE2 TYR 13 HE2 TYR 13 11.528 11.514 3.136 95 HH TYR 13 HH TYR 13 12.576 9.030 2.406 96 H ASP 14 HN ASP 14 8.464 10.926 1.229 97 HA ASP 14 HA ASP 14 6.961 8.903 -0.237 98 1HB ASP 14 1HB ASP 14 7.640 11.104 -1.465 99 2HB ASP 14 2HB ASP 14 9.286 10.512 -1.367 100 HD2 ASP 14 HD2 ASP 14 9.707 8.562 -2.907 101 HA PRO 15 HA PRO 15 10.027 6.485 2.140 102 1HB PRO 15 1HB PRO 15 8.974 4.572 0.021 103 2HB PRO 15 2HB PRO 15 9.281 4.319 1.770 104 1HG PRO 15 1HG PRO 15 6.958 4.810 0.793 105 2HG PRO 15 2HG PRO 15 7.128 5.377 2.487 106 1HD PRO 15 HD2 PRO 15 6.785 6.946 0.029 107 2HD PRO 15 HD3 PRO 15 6.917 7.544 1.711 108 H ALA 16 HN ALA 16 12.149 7.065 1.605 109 HA ALA 16 HA ALA 16 13.437 5.797 -0.496 110 1HB ALA 16 1HB ALA 16 13.875 7.806 -1.961 111 2HB ALA 16 2HB ALA 16 12.201 7.204 -2.023 112 3HB ALA 16 3HB ALA 16 12.589 8.661 -1.076 113 H PHE 17 HN PHE 17 13.954 6.001 2.183 114 HA PHE 17 HA PHE 17 16.153 7.946 2.273 115 1HB PHE 17 1HB PHE 17 13.895 7.641 3.919 116 2HB PHE 17 2HB PHE 17 15.088 6.689 4.781 117 HD1 PHE 17 HD1 PHE 17 15.518 9.852 2.857 118 HD2 PHE 17 HD2 PHE 17 15.654 7.947 6.646 119 HE1 PHE 17 HE1 PHE 17 16.452 11.947 3.877 120 HE2 PHE 17 HE2 PHE 17 16.588 10.041 7.666 121 HZ PHE 17 HZ PHE 17 16.976 12.017 6.269 122 H GLU 18 HN GLU 18 17.300 6.846 4.696 123 HA GLU 18 HA GLU 18 17.904 4.117 3.988 124 1HB GLU 18 1HB GLU 18 19.548 5.594 2.749 125 2HB GLU 18 2HB GLU 18 20.114 6.196 4.295 126 1HG GLU 18 1HG GLU 18 20.747 3.888 4.983 127 2HG GLU 18 2HG GLU 18 20.134 3.253 3.468 128 HE2 GLU 18 HE2 GLU 18 22.641 6.015 3.949 129 H ASP 19 HN ASP 19 19.073 6.840 6.112 130 HA ASP 19 HA ASP 19 19.873 5.422 8.219 131 1HB ASP 19 1HB ASP 19 19.298 8.094 7.695 132 2HB ASP 19 2HB ASP 19 18.169 7.735 8.985 133 HD2 ASP 19 HD2 ASP 19 22.003 8.239 9.756 134 H LEU 20 HN LEU 20 16.580 6.993 8.073 135 HA LEU 20 HA LEU 20 14.738 6.526 9.264 136 1HB LEU 20 1HB LEU 20 14.065 5.388 7.417 137 2HB LEU 20 2HB LEU 20 15.371 4.223 7.501 138 HG LEU 20 HG LEU 20 14.263 2.952 9.196 139 1HD1 LEU 20 1HD1 LEU 20 12.734 3.710 10.639 140 2HD1 LEU 20 2HD1 LEU 20 13.187 5.327 10.052 141 3HD1 LEU 20 3HD1 LEU 20 11.773 4.495 9.363 142 1HD2 LEU 20 1HD2 LEU 20 11.994 2.533 8.056 143 2HD2 LEU 20 2HD2 LEU 20 12.514 3.768 6.884 144 3HD2 LEU 20 3HD2 LEU 20 13.478 2.287 7.104 145 HA PRO 21 HA PRO 21 16.706 4.658 12.912 146 1HB PRO 21 1HB PRO 21 16.011 6.646 14.647 147 2HB PRO 21 2HB PRO 21 17.371 6.826 13.491 148 1HG PRO 21 1HG PRO 21 14.646 7.781 13.304 149 2HG PRO 21 2HG PRO 21 16.116 8.721 12.887 150 1HD PRO 21 HD2 PRO 21 14.511 7.499 10.995 151 2HD PRO 21 HD3 PRO 21 16.280 7.662 10.783 152 H ASP 22 HN ASP 22 15.603 4.014 15.068 153 HA ASP 22 HA ASP 22 12.923 3.245 14.394 154 1HB ASP 22 1HB ASP 22 13.191 2.114 16.770 155 2HB ASP 22 2HB ASP 22 14.041 1.450 15.388 156 HD2 ASP 22 HD2 ASP 22 16.322 1.980 15.281 157 H ASP 23 HN ASP 23 12.823 5.947 14.639 158 HA ASP 23 HA ASP 23 11.033 6.407 16.634 159 1HB ASP 23 1HB ASP 23 12.795 6.245 18.291 160 2HB ASP 23 2HB ASP 23 13.878 7.237 17.335 161 HD2 ASP 23 HD2 ASP 23 12.730 9.456 19.871 162 H TRP 24 HN TRP 24 10.887 7.066 14.053 163 HA TRP 24 HA TRP 24 12.036 9.678 13.564 164 1HB TRP 24 1HB TRP 24 11.837 7.744 11.884 165 2HB TRP 24 2HB TRP 24 10.141 8.175 11.773 166 HD1 TRP 24 HD1 TRP 24 13.375 10.397 11.675 167 HE1 TRP 24 HE1 TRP 24 13.283 12.054 9.623 168 HE3 TRP 24 HE3 TRP 24 8.895 8.779 9.896 169 HZ2 TRP 24 HZ2 TRP 24 11.390 12.492 7.533 170 HZ3 TRP 24 HZ3 TRP 24 7.995 9.874 7.845 171 HH2 TRP 24 HH2 TRP 24 9.167 11.671 6.672 172 H ALA 25 HN ALA 25 10.834 11.614 13.491 173 HA ALA 25 HA ALA 25 8.024 11.358 14.318 174 1HB ALA 25 1HB ALA 25 9.961 12.214 15.985 175 2HB ALA 25 2HB ALA 25 9.618 13.747 15.148 176 3HB ALA 25 3HB ALA 25 8.313 12.890 16.004 177 H CYS 26 HN CYS 26 6.553 12.699 13.255 178 HA CYS 26 HA CYS 26 7.045 13.434 10.707 179 1HB CYS 26 1HB CYS 26 4.897 13.552 12.424 180 2HB CYS 26 2HB CYS 26 5.168 15.243 12.053 181 HA PRO 27 HA PRO 27 9.553 17.072 11.074 182 1HB PRO 27 1HB PRO 27 9.635 17.830 8.500 183 2HB PRO 27 2HB PRO 27 10.258 16.217 8.978 184 1HG PRO 27 1HG PRO 27 7.371 16.721 7.800 185 2HG PRO 27 2HG PRO 27 8.726 15.627 7.365 186 1HD PRO 27 HD2 PRO 27 6.616 14.992 9.122 187 2HD PRO 27 HD3 PRO 27 8.225 14.205 9.149 188 H VAL 28 HN VAL 28 6.292 17.063 11.177 189 HA VAL 28 HA VAL 28 6.192 19.978 10.881 190 HB VAL 28 HB VAL 28 3.852 18.233 10.179 191 1HG1 VAL 28 1HG1 VAL 28 4.708 21.064 9.513 192 2HG1 VAL 28 2HG1 VAL 28 3.342 20.240 8.722 193 3HG1 VAL 28 3HG1 VAL 28 3.308 20.537 10.476 194 1HG2 VAL 28 1HG2 VAL 28 4.536 18.459 7.772 195 2HG2 VAL 28 2HG2 VAL 28 6.130 19.017 8.335 196 3HG2 VAL 28 3HG2 VAL 28 5.570 17.375 8.735 197 H CYS 29 HN CYS 29 3.920 17.331 11.895 198 HA CYS 29 HA CYS 29 2.992 18.803 14.078 199 1HB CYS 29 1HB CYS 29 1.876 16.750 14.755 200 2HB CYS 29 2HB CYS 29 1.660 17.076 13.047 201 H GLY 30 HN GLY 30 5.534 16.288 13.629 202 1HA GLY 30 HA1 GLY 30 7.418 15.975 14.875 203 2HA GLY 30 HA2 GLY 30 6.864 17.162 16.040 204 H ALA 31 HN ALA 31 4.897 14.383 14.900 205 HA ALA 31 HA ALA 31 4.799 13.455 17.662 206 1HB ALA 31 1HB ALA 31 2.638 13.754 16.770 207 2HB ALA 31 2HB ALA 31 3.095 13.075 15.190 208 3HB ALA 31 3HB ALA 31 2.923 12.005 16.601 209 H SER 32 HN SER 32 5.100 11.169 18.165 210 HA SER 32 HA SER 32 7.372 10.148 16.972 211 1HB SER 32 1HB SER 32 6.761 8.041 18.286 212 2HB SER 32 2HB SER 32 6.885 9.516 19.226 213 HG SER 32 HG SER 32 4.706 9.584 19.525 214 H LYS 33 HN LYS 33 7.700 8.331 15.544 215 HA LYS 33 HA LYS 33 6.195 8.164 13.337 216 1HB LYS 33 1HB LYS 33 8.319 7.135 13.363 217 2HB LYS 33 2HB LYS 33 7.907 6.094 14.711 218 1HG LYS 33 1HG LYS 33 6.540 4.682 13.382 219 2HG LYS 33 2HG LYS 33 6.305 5.902 12.146 220 1HD LYS 33 HD2 LYS 33 9.058 4.732 12.715 221 2HD LYS 33 HD3 LYS 33 7.940 3.942 11.621 222 1HE LYS 33 2HE LYS 33 8.611 6.888 11.282 223 2HE LYS 33 3HE LYS 33 9.670 5.652 10.633 224 1HZ LYS 33 HZ1 LYS 33 7.738 6.543 9.173 225 2HZ LYS 33 HZ2 LYS 33 8.029 4.941 9.156 226 H ASP 34 HN ASP 34 5.719 6.249 16.364 227 HA ASP 34 HA ASP 34 3.792 4.574 15.526 228 1HB ASP 34 1HB ASP 34 2.899 4.736 17.911 229 2HB ASP 34 2HB ASP 34 4.616 4.411 17.777 230 HD2 ASP 34 HD2 ASP 34 5.424 6.956 19.774 231 H ALA 35 HN ALA 35 2.280 5.496 14.014 232 HA ALA 35 HA ALA 35 -0.077 6.443 14.815 233 1HB ALA 35 1HB ALA 35 0.444 9.022 14.097 234 2HB ALA 35 2HB ALA 35 0.416 8.449 15.782 235 3HB ALA 35 3HB ALA 35 1.966 8.603 14.919 236 H PHE 36 HN PHE 36 2.609 6.589 12.516 237 HA PHE 36 HA PHE 36 1.064 7.395 10.294 238 1HB PHE 36 1HB PHE 36 3.733 6.019 10.853 239 2HB PHE 36 2HB PHE 36 3.175 6.133 9.195 240 HD1 PHE 36 HD1 PHE 36 3.730 8.298 12.184 241 HD2 PHE 36 HD2 PHE 36 3.763 7.992 7.952 242 HE1 PHE 36 HE1 PHE 36 4.680 10.616 12.024 243 HE2 PHE 36 HE2 PHE 36 4.713 10.309 7.792 244 HZ PHE 36 HZ PHE 36 5.160 11.594 9.829 245 H GLU 37 HN GLU 37 0.056 6.187 8.662 246 HA GLU 37 HA GLU 37 0.020 3.312 9.127 247 1HB GLU 37 1HB GLU 37 -2.086 4.542 9.942 248 2HB GLU 37 2HB GLU 37 -2.419 4.915 8.262 249 1HG GLU 37 1HG GLU 37 -3.206 2.818 7.864 250 2HG GLU 37 2HG GLU 37 -1.776 2.077 8.555 251 HE2 GLU 37 HE2 GLU 37 -4.682 1.245 10.640 252 H LYS 38 HN LYS 38 0.629 2.172 7.336 253 HA LYS 38 HA LYS 38 1.301 3.493 4.965 254 1HB LYS 38 1HB LYS 38 2.399 1.449 5.742 255 2HB LYS 38 2HB LYS 38 0.914 0.540 5.540 256 1HG LYS 38 1HG LYS 38 1.104 0.462 3.240 257 2HG LYS 38 2HG LYS 38 1.780 2.075 3.130 258 1HD LYS 38 HD2 LYS 38 3.494 -0.004 4.456 259 2HD LYS 38 HD3 LYS 38 3.253 -0.178 2.729 260 1HE LYS 38 2HE LYS 38 3.913 2.317 2.522 261 2HE LYS 38 3HE LYS 38 4.422 2.225 4.196 262 1HZ LYS 38 HZ1 LYS 38 5.971 0.462 3.593 263 2HZ LYS 38 HZ2 LYS 38 5.457 0.451 2.048 264 H GLN 39 HN GLN 39 -0.037 4.365 3.485 265 HA GLN 39 HA GLN 39 -2.631 3.068 3.189 266 1HB GLN 39 1HB GLN 39 -2.479 5.526 3.975 267 2HB GLN 39 2HB GLN 39 -1.946 5.911 2.351 268 1HG GLN 39 1HG GLN 39 -4.084 4.605 1.564 269 2HG GLN 39 2HG GLN 39 -4.623 4.766 3.223 270 1HE2 GLN 39 1HE2 GLN 39 -5.600 6.554 3.837 271 2HE2 GLN 39 2HE2 GLN 39 -5.680 8.046 2.961 Start of MODEL 19 1 1H MET 1 HN MET 1 3.421 3.315 -3.342 2 HA MET 1 HA MET 1 2.084 1.616 -2.378 3 1HB MET 1 1HB MET 1 4.511 0.042 -3.169 4 2HB MET 1 2HB MET 1 3.818 -0.422 -1.627 5 1HG MET 1 1HG MET 1 1.518 -0.325 -3.036 6 2HG MET 1 2HG MET 1 2.605 -0.594 -4.384 7 1HE MET 1 1HE MET 1 0.788 -2.274 -4.422 8 2HE MET 1 2HE MET 1 1.572 -3.869 -4.498 9 3HE MET 1 3HE MET 1 0.467 -3.484 -3.157 10 H ASP 2 HN ASP 2 5.636 1.756 -1.586 11 HA ASP 2 HA ASP 2 5.179 1.808 1.162 12 1HB ASP 2 1HB ASP 2 7.589 2.990 -0.282 13 2HB ASP 2 2HB ASP 2 7.549 2.334 1.342 14 HD2 ASP 2 HD2 ASP 2 6.194 -0.221 0.480 15 H ILE 3 HN ILE 3 3.729 3.512 1.771 16 HA ILE 3 HA ILE 3 4.835 6.197 1.448 17 HB ILE 3 HB ILE 3 2.039 5.315 0.753 18 1HG1 ILE 3 2HG1 ILE 3 3.626 7.129 -0.979 19 2HG1 ILE 3 3HG1 ILE 3 4.223 5.487 -0.846 20 1HG2 ILE 3 1HG2 ILE 3 2.802 7.726 2.066 21 2HG2 ILE 3 2HG2 ILE 3 2.367 8.122 0.387 22 3HG2 ILE 3 3HG2 ILE 3 1.210 7.257 1.426 23 1HD1 ILE 3 1HD1 ILE 3 1.726 6.500 -2.110 24 2HD1 ILE 3 2HD1 ILE 3 2.704 5.067 -2.509 25 3HD1 ILE 3 3HD1 ILE 3 1.538 5.002 -1.166 26 H TYR 4 HN TYR 4 4.787 7.364 3.252 27 HA TYR 4 HA TYR 4 3.314 6.212 5.576 28 1HB TYR 4 1HB TYR 4 6.070 7.292 5.219 29 2HB TYR 4 2HB TYR 4 5.238 7.707 6.726 30 HD1 TYR 4 HD1 TYR 4 6.418 6.442 8.324 31 HD2 TYR 4 HD2 TYR 4 4.950 4.543 4.761 32 HE1 TYR 4 HE1 TYR 4 7.009 4.223 9.262 33 HE2 TYR 4 HE2 TYR 4 5.541 2.325 5.700 34 HH TYR 4 HH TYR 4 5.881 1.443 8.419 35 H VAL 5 HN VAL 5 1.391 7.527 4.994 36 HA VAL 5 HA VAL 5 1.833 10.400 5.116 37 HB VAL 5 HB VAL 5 -0.676 8.791 4.604 38 1HG1 VAL 5 1HG1 VAL 5 -1.816 10.718 4.392 39 2HG1 VAL 5 2HG1 VAL 5 -0.481 11.440 5.321 40 3HG1 VAL 5 3HG1 VAL 5 -0.478 11.529 3.542 41 1HG2 VAL 5 1HG2 VAL 5 1.579 9.043 2.959 42 2HG2 VAL 5 2HG2 VAL 5 -0.047 8.500 2.481 43 3HG2 VAL 5 3HG2 VAL 5 0.405 10.214 2.313 44 H CYS 6 HN CYS 6 1.715 11.477 7.012 45 HA CYS 6 HA CYS 6 1.114 10.193 9.392 46 1HB CYS 6 1HB CYS 6 2.486 12.285 9.037 47 2HB CYS 6 2HB CYS 6 0.980 13.171 8.905 48 H THR 7 HN THR 7 -0.766 10.425 10.813 49 HA THR 7 HA THR 7 -3.217 11.062 9.306 50 HB THR 7 HB THR 7 -4.242 9.433 10.995 51 HG1 THR 7 HG1 THR 7 -2.456 9.697 12.544 52 1HG2 THR 7 1HG2 THR 7 -3.836 7.764 9.489 53 2HG2 THR 7 2HG2 THR 7 -2.633 8.821 8.712 54 3HG2 THR 7 3HG2 THR 7 -2.131 7.688 9.990 55 H VAL 8 HN VAL 8 -1.223 12.761 11.040 56 HA VAL 8 HA VAL 8 -3.273 13.746 12.898 57 HB VAL 8 HB VAL 8 -0.257 13.894 12.934 58 1HG1 VAL 8 1HG1 VAL 8 -2.316 15.434 14.499 59 2HG1 VAL 8 2HG1 VAL 8 -0.759 15.005 15.247 60 3HG1 VAL 8 3HG1 VAL 8 -0.793 15.995 13.767 61 1HG2 VAL 8 1HG2 VAL 8 -0.590 11.909 13.959 62 2HG2 VAL 8 2HG2 VAL 8 -1.044 12.915 15.356 63 3HG2 VAL 8 3HG2 VAL 8 -2.305 12.249 14.292 64 H CYS 9 HN CYS 9 -0.633 14.774 10.628 65 HA CYS 9 HA CYS 9 -2.094 17.290 10.323 66 1HB CYS 9 1HB CYS 9 0.175 17.947 9.199 67 2HB CYS 9 2HB CYS 9 -0.025 17.989 10.940 68 H GLY 10 HN GLY 10 -1.089 14.270 8.860 69 1HA GLY 10 HA1 GLY 10 -2.026 13.413 6.920 70 2HA GLY 10 HA2 GLY 10 -2.426 15.030 6.374 71 H TYR 11 HN TYR 11 0.686 14.940 7.700 72 HA TYR 11 HA TYR 11 2.115 15.789 5.538 73 1HB TYR 11 1HB TYR 11 2.910 15.469 7.907 74 2HB TYR 11 2HB TYR 11 3.133 13.750 7.541 75 HD1 TYR 11 HD1 TYR 11 5.446 13.416 7.626 76 HD2 TYR 11 HD2 TYR 11 3.868 16.740 5.408 77 HE1 TYR 11 HE1 TYR 11 7.711 13.896 6.735 78 HE2 TYR 11 HE2 TYR 11 6.133 17.220 4.518 79 HH TYR 11 HH TYR 11 8.772 15.067 4.778 80 H GLU 12 HN GLU 12 3.575 14.727 3.945 81 HA GLU 12 HA GLU 12 2.666 12.015 3.377 82 1HB GLU 12 1HB GLU 12 2.720 14.431 1.629 83 2HB GLU 12 2HB GLU 12 3.320 12.962 0.885 84 1HG GLU 12 1HG GLU 12 1.165 12.360 0.518 85 2HG GLU 12 2HG GLU 12 0.998 12.124 2.247 86 HE2 GLU 12 HE2 GLU 12 -1.292 14.774 0.793 87 H TYR 13 HN TYR 13 4.228 10.551 2.978 88 HA TYR 13 HA TYR 13 6.961 11.461 2.335 89 1HB TYR 13 1HB TYR 13 6.795 11.401 4.810 90 2HB TYR 13 2HB TYR 13 6.287 9.706 4.719 91 HD1 TYR 13 HD1 TYR 13 7.895 8.058 4.968 92 HD2 TYR 13 HD2 TYR 13 9.079 11.934 3.547 93 HE1 TYR 13 HE1 TYR 13 10.269 7.342 4.997 94 HE2 TYR 13 HE2 TYR 13 11.454 11.218 3.576 95 HH TYR 13 HH TYR 13 12.520 8.176 3.641 96 H ASP 14 HN ASP 14 8.401 9.518 1.744 97 HA ASP 14 HA ASP 14 6.751 7.264 0.956 98 1HB ASP 14 1HB ASP 14 7.302 9.049 -0.923 99 2HB ASP 14 2HB ASP 14 8.906 8.346 -0.885 100 HD2 ASP 14 HD2 ASP 14 6.542 7.831 -3.135 101 HA PRO 15 HA PRO 15 10.215 5.836 3.641 102 1HB PRO 15 1HB PRO 15 8.805 3.345 2.574 103 2HB PRO 15 2HB PRO 15 9.503 3.679 4.193 104 1HG PRO 15 1HG PRO 15 6.896 4.011 3.688 105 2HG PRO 15 2HG PRO 15 7.610 5.152 4.874 106 1HD PRO 15 HD2 PRO 15 6.655 5.623 2.094 107 2HD PRO 15 HD3 PRO 15 7.073 6.820 3.358 108 H ALA 16 HN ALA 16 12.035 6.414 2.304 109 HA ALA 16 HA ALA 16 13.188 4.320 0.875 110 1HB ALA 16 1HB ALA 16 11.191 5.488 -0.632 111 2HB ALA 16 2HB ALA 16 12.632 6.394 -1.151 112 3HB ALA 16 3HB ALA 16 12.597 4.620 -1.292 113 H PHE 17 HN PHE 17 14.560 5.307 2.677 114 HA PHE 17 HA PHE 17 16.159 7.458 1.490 115 1HB PHE 17 1HB PHE 17 14.575 7.353 3.958 116 2HB PHE 17 2HB PHE 17 16.270 7.489 4.386 117 HD1 PHE 17 HD1 PHE 17 16.716 9.662 5.004 118 HD2 PHE 17 HD2 PHE 17 14.261 8.982 1.610 119 HE1 PHE 17 HE1 PHE 17 16.626 12.133 4.573 120 HE2 PHE 17 HE2 PHE 17 14.171 11.453 1.180 121 HZ PHE 17 HZ PHE 17 15.355 13.000 2.666 122 H GLU 18 HN GLU 18 18.314 7.627 2.996 123 HA GLU 18 HA GLU 18 19.737 5.366 2.447 124 1HB GLU 18 1HB GLU 18 20.455 7.259 4.713 125 2HB GLU 18 2HB GLU 18 21.544 6.390 3.649 126 1HG GLU 18 1HG GLU 18 20.024 7.841 1.831 127 2HG GLU 18 2HG GLU 18 20.091 8.943 3.192 128 HE2 GLU 18 HE2 GLU 18 23.572 9.373 2.922 129 H ASP 19 HN ASP 19 19.045 6.512 5.833 130 HA ASP 19 HA ASP 19 18.490 3.738 6.493 131 1HB ASP 19 1HB ASP 19 20.887 4.529 7.111 132 2HB ASP 19 2HB ASP 19 20.125 5.583 8.285 133 HD2 ASP 19 HD2 ASP 19 18.755 2.116 8.502 134 H LEU 20 HN LEU 20 17.238 3.591 8.626 135 HA LEU 20 HA LEU 20 15.809 6.105 9.152 136 1HB LEU 20 1HB LEU 20 14.753 3.859 8.024 137 2HB LEU 20 2HB LEU 20 14.428 3.568 9.721 138 HG LEU 20 HG LEU 20 13.725 6.288 8.870 139 1HD1 LEU 20 1HD1 LEU 20 12.039 4.058 7.726 140 2HD1 LEU 20 2HD1 LEU 20 11.909 5.811 7.444 141 3HD1 LEU 20 3HD1 LEU 20 13.290 4.902 6.783 142 1HD2 LEU 20 1HD2 LEU 20 13.112 4.678 10.964 143 2HD2 LEU 20 2HD2 LEU 20 12.145 6.083 10.456 144 3HD2 LEU 20 3HD2 LEU 20 11.677 4.446 9.936 145 HA PRO 21 HA PRO 21 17.159 5.499 13.293 146 1HB PRO 21 1HB PRO 21 15.914 7.559 14.472 147 2HB PRO 21 2HB PRO 21 17.065 7.867 13.131 148 1HG PRO 21 1HG PRO 21 13.900 7.816 12.730 149 2HG PRO 21 2HG PRO 21 15.290 8.881 12.340 150 1HD PRO 21 HD2 PRO 21 14.223 6.738 10.745 151 2HD PRO 21 HD3 PRO 21 15.777 7.586 10.482 152 H ASP 22 HN ASP 22 16.042 5.347 15.613 153 HA ASP 22 HA ASP 22 13.659 3.738 15.179 154 1HB ASP 22 1HB ASP 22 14.278 2.954 17.604 155 2HB ASP 22 2HB ASP 22 15.225 2.356 16.255 156 HD2 ASP 22 HD2 ASP 22 18.137 3.831 17.364 157 H ASP 23 HN ASP 23 13.301 6.539 15.185 158 HA ASP 23 HA ASP 23 11.432 6.885 17.149 159 1HB ASP 23 1HB ASP 23 13.766 7.072 18.441 160 2HB ASP 23 2HB ASP 23 13.787 8.686 17.760 161 HD2 ASP 23 HD2 ASP 23 12.909 10.131 19.374 162 H TRP 24 HN TRP 24 11.262 7.329 14.503 163 HA TRP 24 HA TRP 24 12.084 9.992 13.789 164 1HB TRP 24 1HB TRP 24 11.955 7.901 12.286 165 2HB TRP 24 2HB TRP 24 10.234 8.218 12.217 166 HD1 TRP 24 HD1 TRP 24 13.359 10.546 11.742 167 HE1 TRP 24 HE1 TRP 24 13.062 12.045 9.590 168 HE3 TRP 24 HE3 TRP 24 8.811 8.685 10.430 169 HZ2 TRP 24 HZ2 TRP 24 11.006 12.279 7.626 170 HZ3 TRP 24 HZ3 TRP 24 7.728 9.604 8.382 171 HH2 TRP 24 HH2 TRP 24 8.751 11.339 6.998 172 H ALA 25 HN ALA 25 10.771 11.827 13.771 173 HA ALA 25 HA ALA 25 7.980 11.411 14.584 174 1HB ALA 25 1HB ALA 25 10.099 13.234 15.734 175 2HB ALA 25 2HB ALA 25 8.376 13.668 15.838 176 3HB ALA 25 3HB ALA 25 8.960 12.160 16.582 177 H CYS 26 HN CYS 26 6.466 12.688 13.511 178 HA CYS 26 HA CYS 26 7.082 13.592 11.007 179 1HB CYS 26 1HB CYS 26 4.807 13.098 12.152 180 2HB CYS 26 2HB CYS 26 4.835 14.791 12.607 181 HA PRO 27 HA PRO 27 9.221 17.382 11.848 182 1HB PRO 27 1HB PRO 27 9.274 18.355 9.297 183 2HB PRO 27 2HB PRO 27 10.206 16.900 9.780 184 1HG PRO 27 1HG PRO 27 7.385 16.892 8.387 185 2HG PRO 27 2HG PRO 27 8.947 16.106 7.991 186 1HD PRO 27 HD2 PRO 27 6.964 14.893 9.499 187 2HD PRO 27 HD3 PRO 27 8.705 14.573 9.766 188 H VAL 28 HN VAL 28 5.903 16.978 11.181 189 HA VAL 28 HA VAL 28 5.497 19.886 11.160 190 HB VAL 28 HB VAL 28 3.646 17.639 10.341 191 1HG1 VAL 28 1HG1 VAL 28 2.841 20.177 9.313 192 2HG1 VAL 28 2HG1 VAL 28 1.979 19.113 10.451 193 3HG1 VAL 28 3HG1 VAL 28 3.100 20.352 11.065 194 1HG2 VAL 28 1HG2 VAL 28 5.646 19.257 8.869 195 2HG2 VAL 28 2HG2 VAL 28 4.982 17.645 8.513 196 3HG2 VAL 28 3HG2 VAL 28 4.053 19.103 8.088 197 H CYS 29 HN CYS 29 3.090 17.418 12.070 198 HA CYS 29 HA CYS 29 2.231 18.712 14.294 199 1HB CYS 29 1HB CYS 29 1.319 16.519 15.027 200 2HB CYS 29 2HB CYS 29 0.928 16.965 13.378 201 H GLY 30 HN GLY 30 4.730 16.090 14.016 202 1HA GLY 30 HA1 GLY 30 6.744 16.254 15.278 203 2HA GLY 30 HA2 GLY 30 5.857 17.023 16.579 204 H ALA 31 HN ALA 31 3.635 14.828 15.658 205 HA ALA 31 HA ALA 31 3.990 13.161 17.837 206 1HB ALA 31 1HB ALA 31 1.835 13.405 16.819 207 2HB ALA 31 2HB ALA 31 2.447 12.870 15.236 208 3HB ALA 31 3HB ALA 31 2.316 11.709 16.577 209 H SER 32 HN SER 32 4.318 10.715 17.738 210 HA SER 32 HA SER 32 6.817 10.282 16.464 211 1HB SER 32 1HB SER 32 6.702 8.055 17.586 212 2HB SER 32 2HB SER 32 6.416 9.379 18.699 213 HG SER 32 HG SER 32 4.855 7.734 19.055 214 H LYS 33 HN LYS 33 7.083 7.933 15.361 215 HA LYS 33 HA LYS 33 5.295 7.997 13.106 216 1HB LYS 33 1HB LYS 33 6.871 6.618 12.029 217 2HB LYS 33 2HB LYS 33 7.815 7.749 12.978 218 1HG LYS 33 1HG LYS 33 7.231 5.490 14.667 219 2HG LYS 33 2HG LYS 33 7.787 4.861 13.129 220 1HD LYS 33 HD2 LYS 33 9.905 5.840 13.324 221 2HD LYS 33 HD3 LYS 33 9.324 7.166 14.313 222 1HE LYS 33 2HE LYS 33 9.709 4.269 15.206 223 2HE LYS 33 3HE LYS 33 10.676 5.648 15.696 224 1HZ LYS 33 HZ1 LYS 33 8.135 6.406 16.331 225 2HZ LYS 33 HZ2 LYS 33 8.114 4.818 16.693 226 H ASP 34 HN ASP 34 3.665 7.475 15.165 227 HA ASP 34 HA ASP 34 3.379 4.575 15.100 228 1HB ASP 34 1HB ASP 34 3.715 5.554 17.373 229 2HB ASP 34 2HB ASP 34 2.336 6.608 17.129 230 HD2 ASP 34 HD2 ASP 34 0.039 4.306 18.046 231 H ALA 35 HN ALA 35 1.800 7.809 14.884 232 HA ALA 35 HA ALA 35 -0.794 6.753 14.351 233 1HB ALA 35 1HB ALA 35 0.173 9.544 13.690 234 2HB ALA 35 2HB ALA 35 -1.443 9.015 14.215 235 3HB ALA 35 3HB ALA 35 -0.093 9.036 15.376 236 H PHE 36 HN PHE 36 2.134 7.212 12.537 237 HA PHE 36 HA PHE 36 1.030 7.755 10.023 238 1HB PHE 36 1HB PHE 36 3.560 6.499 11.179 239 2HB PHE 36 2HB PHE 36 3.331 6.465 9.443 240 HD1 PHE 36 HD1 PHE 36 3.564 8.759 12.345 241 HD2 PHE 36 HD2 PHE 36 3.821 8.352 8.130 242 HE1 PHE 36 HE1 PHE 36 4.493 11.084 12.178 243 HE2 PHE 36 HE2 PHE 36 4.750 10.678 7.962 244 HZ PHE 36 HZ PHE 36 5.075 12.016 9.988 245 H GLU 37 HN GLU 37 0.152 6.466 8.431 246 HA GLU 37 HA GLU 37 0.398 3.607 8.776 247 1HB GLU 37 1HB GLU 37 -1.861 4.815 9.719 248 2HB GLU 37 2HB GLU 37 -2.342 4.561 8.053 249 1HG GLU 37 1HG GLU 37 -1.135 2.333 9.746 250 2HG GLU 37 2HG GLU 37 -2.859 2.651 9.719 251 HE2 GLU 37 HE2 GLU 37 -2.936 2.028 6.177 252 H LYS 38 HN LYS 38 0.446 2.470 6.805 253 HA LYS 38 HA LYS 38 1.053 3.986 4.523 254 1HB LYS 38 1HB LYS 38 2.068 1.841 4.860 255 2HB LYS 38 2HB LYS 38 0.513 1.041 4.959 256 1HG LYS 38 1HG LYS 38 0.162 2.107 2.529 257 2HG LYS 38 2HG LYS 38 1.913 2.169 2.530 258 1HD LYS 38 HD2 LYS 38 1.719 -0.359 3.342 259 2HD LYS 38 HD3 LYS 38 0.105 -0.256 2.667 260 1HE LYS 38 2HE LYS 38 1.003 0.382 0.466 261 2HE LYS 38 3HE LYS 38 2.628 0.489 1.114 262 1HZ LYS 38 HZ1 LYS 38 1.205 -2.056 1.432 263 2HZ LYS 38 HZ2 LYS 38 1.793 -1.702 -0.044 264 H GLN 39 HN GLN 39 -0.204 4.829 2.932 265 HA GLN 39 HA GLN 39 -2.818 3.694 2.543 266 1HB GLN 39 1HB GLN 39 -2.332 6.335 3.814 267 2HB GLN 39 2HB GLN 39 -3.470 6.381 2.482 268 1HG GLN 39 1HG GLN 39 -3.839 4.117 4.403 269 2HG GLN 39 2HG GLN 39 -4.152 5.713 5.057 270 1HE2 GLN 39 1HE2 GLN 39 -4.846 3.611 2.287 271 2HE2 GLN 39 2HE2 GLN 39 -6.456 4.167 1.977 Start of MODEL 20 1 1H MET 1 HN MET 1 8.305 1.910 -0.184 2 HA MET 1 HA MET 1 6.570 1.530 -2.472 3 1HB MET 1 1HB MET 1 7.975 -0.602 -1.361 4 2HB MET 1 2HB MET 1 6.498 -0.651 -0.419 5 1HG MET 1 1HG MET 1 5.151 -1.135 -2.280 6 2HG MET 1 2HG MET 1 6.237 -0.347 -3.409 7 1HE MET 1 1HE MET 1 6.574 -4.580 -1.691 8 2HE MET 1 2HE MET 1 6.821 -3.196 -0.599 9 3HE MET 1 3HE MET 1 5.269 -3.396 -1.446 10 H ASP 2 HN ASP 2 4.295 1.584 -1.952 11 HA ASP 2 HA ASP 2 2.518 2.101 -0.816 12 1HB ASP 2 1HB ASP 2 3.980 0.621 1.050 13 2HB ASP 2 2HB ASP 2 3.650 2.102 1.925 14 HD2 ASP 2 HD2 ASP 2 1.548 -0.526 0.344 15 H ILE 3 HN ILE 3 2.140 3.636 1.603 16 HA ILE 3 HA ILE 3 3.929 5.907 1.413 17 HB ILE 3 HB ILE 3 1.105 5.904 0.456 18 1HG1 ILE 3 2HG1 ILE 3 2.714 7.919 -0.718 19 2HG1 ILE 3 3HG1 ILE 3 3.728 6.495 -0.587 20 1HG2 ILE 3 1HG2 ILE 3 0.929 8.329 0.850 21 2HG2 ILE 3 2HG2 ILE 3 0.985 7.397 2.365 22 3HG2 ILE 3 3HG2 ILE 3 2.431 8.272 1.804 23 1HD1 ILE 3 1HD1 ILE 3 2.298 6.689 -2.719 24 2HD1 ILE 3 2HD1 ILE 3 2.193 5.143 -1.843 25 3HD1 ILE 3 3HD1 ILE 3 0.891 6.347 -1.684 26 H TYR 4 HN TYR 4 3.903 7.191 3.246 27 HA TYR 4 HA TYR 4 2.338 6.069 5.524 28 1HB TYR 4 1HB TYR 4 5.182 7.089 5.348 29 2HB TYR 4 2HB TYR 4 4.321 6.945 6.889 30 HD1 TYR 4 HD1 TYR 4 3.722 4.745 7.798 31 HD2 TYR 4 HD2 TYR 4 5.931 5.130 4.134 32 HE1 TYR 4 HE1 TYR 4 4.359 2.352 7.931 33 HE2 TYR 4 HE2 TYR 4 6.567 2.736 4.266 34 HH TYR 4 HH TYR 4 6.713 0.891 5.791 35 H VAL 5 HN VAL 5 0.647 7.724 4.826 36 HA VAL 5 HA VAL 5 1.450 10.473 5.169 37 HB VAL 5 HB VAL 5 -1.181 9.114 4.565 38 1HG1 VAL 5 1HG1 VAL 5 -1.566 11.214 5.794 39 2HG1 VAL 5 2HG1 VAL 5 -0.558 12.088 4.615 40 3HG1 VAL 5 3HG1 VAL 5 -2.088 11.339 4.097 41 1HG2 VAL 5 1HG2 VAL 5 1.071 10.068 2.949 42 2HG2 VAL 5 2HG2 VAL 5 -0.268 8.976 2.520 43 3HG2 VAL 5 3HG2 VAL 5 -0.495 10.740 2.433 44 H CYS 6 HN CYS 6 1.655 11.374 7.145 45 HA CYS 6 HA CYS 6 1.056 10.166 9.493 46 1HB CYS 6 1HB CYS 6 2.454 12.195 9.177 47 2HB CYS 6 2HB CYS 6 0.997 13.147 8.979 48 H THR 7 HN THR 7 -0.723 10.411 11.044 49 HA THR 7 HA THR 7 -3.261 11.073 9.705 50 HB THR 7 HB THR 7 -4.183 9.460 11.473 51 HG1 THR 7 HG1 THR 7 -2.270 9.717 12.876 52 1HG2 THR 7 1HG2 THR 7 -3.382 8.724 9.083 53 2HG2 THR 7 2HG2 THR 7 -1.928 8.124 9.918 54 3HG2 THR 7 3HG2 THR 7 -3.527 7.461 10.330 55 H VAL 8 HN VAL 8 -1.207 12.846 11.185 56 HA VAL 8 HA VAL 8 -3.113 13.839 13.191 57 HB VAL 8 HB VAL 8 -0.113 13.733 13.105 58 1HG1 VAL 8 1HG1 VAL 8 -0.475 15.205 15.316 59 2HG1 VAL 8 2HG1 VAL 8 -0.158 15.929 13.721 60 3HG1 VAL 8 3HG1 VAL 8 -1.823 15.839 14.342 61 1HG2 VAL 8 1HG2 VAL 8 -0.688 13.133 15.608 62 2HG2 VAL 8 2HG2 VAL 8 -2.297 12.782 14.931 63 3HG2 VAL 8 3HG2 VAL 8 -0.867 11.919 14.317 64 H CYS 9 HN CYS 9 -0.528 14.823 10.836 65 HA CYS 9 HA CYS 9 -1.986 17.342 10.540 66 1HB CYS 9 1HB CYS 9 0.212 18.084 9.446 67 2HB CYS 9 2HB CYS 9 0.140 17.943 11.191 68 H GLY 10 HN GLY 10 -1.007 14.311 9.083 69 1HA GLY 10 HA1 GLY 10 -1.995 13.451 7.164 70 2HA GLY 10 HA2 GLY 10 -2.364 15.070 6.604 71 H TYR 11 HN TYR 11 0.760 14.894 7.915 72 HA TYR 11 HA TYR 11 2.201 15.710 5.753 73 1HB TYR 11 1HB TYR 11 3.024 15.361 8.093 74 2HB TYR 11 2HB TYR 11 3.138 13.626 7.751 75 HD1 TYR 11 HD1 TYR 11 5.418 13.127 7.780 76 HD2 TYR 11 HD2 TYR 11 4.039 16.564 5.603 77 HE1 TYR 11 HE1 TYR 11 7.697 13.458 6.860 78 HE2 TYR 11 HE2 TYR 11 6.318 16.896 4.683 79 HH TYR 11 HH TYR 11 8.729 16.279 5.313 80 H GLU 12 HN GLU 12 3.679 14.575 4.189 81 HA GLU 12 HA GLU 12 2.622 11.931 3.562 82 1HB GLU 12 1HB GLU 12 2.770 14.368 1.875 83 2HB GLU 12 2HB GLU 12 3.413 12.933 1.101 84 1HG GLU 12 1HG GLU 12 1.095 11.934 2.245 85 2HG GLU 12 2HG GLU 12 0.608 13.575 1.868 86 HE2 GLU 12 HE2 GLU 12 -0.015 13.324 -1.016 87 H TYR 13 HN TYR 13 4.123 10.398 3.411 88 HA TYR 13 HA TYR 13 6.972 11.234 3.388 89 1HB TYR 13 1HB TYR 13 6.194 9.874 5.286 90 2HB TYR 13 2HB TYR 13 5.638 8.618 4.167 91 HD1 TYR 13 HD1 TYR 13 7.011 6.783 3.904 92 HD2 TYR 13 HD2 TYR 13 8.776 10.586 4.838 93 HE1 TYR 13 HE1 TYR 13 9.255 5.726 3.973 94 HE2 TYR 13 HE2 TYR 13 11.019 9.530 4.908 95 HH TYR 13 HH TYR 13 11.762 6.682 5.360 96 H ASP 14 HN ASP 14 8.522 9.845 2.088 97 HA ASP 14 HA ASP 14 7.139 8.635 -0.165 98 1HB ASP 14 1HB ASP 14 8.181 11.041 -0.517 99 2HB ASP 14 2HB ASP 14 9.717 10.199 -0.513 100 HD2 ASP 14 HD2 ASP 14 9.399 9.894 -3.858 101 HA PRO 15 HA PRO 15 9.761 5.486 1.984 102 1HB PRO 15 1HB PRO 15 8.605 4.176 -0.521 103 2HB PRO 15 2HB PRO 15 8.878 3.503 1.120 104 1HG PRO 15 1HG PRO 15 6.501 4.462 0.358 105 2HG PRO 15 2HG PRO 15 6.898 4.673 2.095 106 1HD PRO 15 HD2 PRO 15 6.694 6.690 -0.076 107 2HD PRO 15 HD3 PRO 15 6.831 6.953 1.689 108 H ALA 16 HN ALA 16 11.835 6.516 1.525 109 HA ALA 16 HA ALA 16 13.367 5.257 -0.389 110 1HB ALA 16 1HB ALA 16 12.178 6.354 -2.144 111 2HB ALA 16 2HB ALA 16 12.190 7.910 -1.281 112 3HB ALA 16 3HB ALA 16 13.702 7.256 -1.956 113 H PHE 17 HN PHE 17 14.307 5.304 1.871 114 HA PHE 17 HA PHE 17 15.963 7.708 2.115 115 1HB PHE 17 1HB PHE 17 13.894 6.653 3.871 116 2HB PHE 17 2HB PHE 17 15.433 6.404 4.672 117 HD1 PHE 17 HD1 PHE 17 13.040 8.295 5.365 118 HD2 PHE 17 HD2 PHE 17 16.797 8.899 3.486 119 HE1 PHE 17 HE1 PHE 17 13.034 10.687 6.122 120 HE2 PHE 17 HE2 PHE 17 16.791 11.292 4.244 121 HZ PHE 17 HZ PHE 17 14.910 12.158 5.553 122 H GLU 18 HN GLU 18 17.630 7.020 4.152 123 HA GLU 18 HA GLU 18 18.507 4.318 3.678 124 1HB GLU 18 1HB GLU 18 19.631 6.337 2.154 125 2HB GLU 18 2HB GLU 18 20.735 6.274 3.514 126 1HG GLU 18 1HG GLU 18 21.595 4.700 1.923 127 2HG GLU 18 2HG GLU 18 20.847 3.732 3.179 128 HE2 GLU 18 HE2 GLU 18 20.325 3.787 -0.452 129 H ASP 19 HN ASP 19 17.370 4.867 5.979 130 HA ASP 19 HA ASP 19 19.349 4.510 7.846 131 1HB ASP 19 1HB ASP 19 19.794 6.950 7.450 132 2HB ASP 19 2HB ASP 19 18.137 7.314 7.888 133 HD2 ASP 19 HD2 ASP 19 20.651 8.133 9.250 134 H LEU 20 HN LEU 20 16.339 6.580 7.750 135 HA LEU 20 HA LEU 20 14.535 6.511 9.082 136 1HB LEU 20 1HB LEU 20 13.565 5.369 7.376 137 2HB LEU 20 2HB LEU 20 14.678 4.018 7.478 138 HG LEU 20 HG LEU 20 13.027 4.158 9.862 139 1HD1 LEU 20 1HD1 LEU 20 11.582 5.227 7.916 140 2HD1 LEU 20 2HD1 LEU 20 11.355 3.519 7.472 141 3HD1 LEU 20 3HD1 LEU 20 10.881 4.088 9.090 142 1HD2 LEU 20 1HD2 LEU 20 13.016 1.900 9.660 143 2HD2 LEU 20 2HD2 LEU 20 12.771 1.941 7.897 144 3HD2 LEU 20 3HD2 LEU 20 14.388 2.242 8.579 145 HA PRO 21 HA PRO 21 16.693 4.762 12.733 146 1HB PRO 21 1HB PRO 21 15.361 7.173 13.922 147 2HB PRO 21 2HB PRO 21 17.072 6.635 13.981 148 1HG PRO 21 1HG PRO 21 16.315 8.766 12.449 149 2HG PRO 21 2HG PRO 21 17.632 7.613 12.061 150 1HD PRO 21 HD2 PRO 21 14.750 7.727 11.051 151 2HD PRO 21 HD3 PRO 21 16.252 7.397 10.135 152 H ASP 22 HN ASP 22 15.574 4.440 15.065 153 HA ASP 22 HA ASP 22 12.942 3.426 14.421 154 1HB ASP 22 1HB ASP 22 13.297 2.369 16.811 155 2HB ASP 22 2HB ASP 22 14.157 1.703 15.437 156 HD2 ASP 22 HD2 ASP 22 15.735 1.048 17.418 157 H ASP 23 HN ASP 23 13.181 6.273 14.723 158 HA ASP 23 HA ASP 23 11.295 6.699 16.742 159 1HB ASP 23 1HB ASP 23 13.550 6.582 18.025 160 2HB ASP 23 2HB ASP 23 13.974 8.075 17.212 161 HD2 ASP 23 HD2 ASP 23 12.560 8.752 20.499 162 H TRP 24 HN TRP 24 11.139 7.197 14.059 163 HA TRP 24 HA TRP 24 12.139 9.806 13.398 164 1HB TRP 24 1HB TRP 24 11.870 7.855 11.809 165 2HB TRP 24 2HB TRP 24 10.141 8.129 11.880 166 HD1 TRP 24 HD1 TRP 24 13.115 10.627 11.319 167 HE1 TRP 24 HE1 TRP 24 12.640 12.159 9.224 168 HE3 TRP 24 HE3 TRP 24 8.647 8.512 10.128 169 HZ2 TRP 24 HZ2 TRP 24 10.497 12.310 7.345 170 HZ3 TRP 24 HZ3 TRP 24 7.428 9.411 8.148 171 HH2 TRP 24 HH2 TRP 24 8.284 11.243 6.776 172 H ALA 25 HN ALA 25 10.895 11.729 13.244 173 HA ALA 25 HA ALA 25 8.169 11.526 14.316 174 1HB ALA 25 1HB ALA 25 9.248 12.385 16.179 175 2HB ALA 25 2HB ALA 25 10.500 13.201 15.213 176 3HB ALA 25 3HB ALA 25 8.861 13.890 15.312 177 H CYS 26 HN CYS 26 6.635 12.793 13.267 178 HA CYS 26 HA CYS 26 7.091 13.512 10.672 179 1HB CYS 26 1HB CYS 26 4.897 13.230 12.092 180 2HB CYS 26 2HB CYS 26 5.031 14.966 12.292 181 HA PRO 27 HA PRO 27 9.459 17.233 11.076 182 1HB PRO 27 1HB PRO 27 9.248 18.076 8.473 183 2HB PRO 27 2HB PRO 27 10.213 16.643 8.951 184 1HG PRO 27 1HG PRO 27 7.276 16.583 7.783 185 2HG PRO 27 2HG PRO 27 8.833 15.784 7.389 186 1HD PRO 27 HD2 PRO 27 6.893 14.722 9.101 187 2HD PRO 27 HD3 PRO 27 8.639 14.351 9.234 188 H VAL 28 HN VAL 28 6.067 16.959 10.736 189 HA VAL 28 HA VAL 28 5.794 19.881 10.640 190 HB VAL 28 HB VAL 28 3.775 17.700 10.078 191 1HG1 VAL 28 1HG1 VAL 28 2.326 19.351 10.615 192 2HG1 VAL 28 2HG1 VAL 28 3.551 20.631 10.438 193 3HG1 VAL 28 3HG1 VAL 28 2.735 19.973 8.999 194 1HG2 VAL 28 1HG2 VAL 28 5.629 19.275 8.339 195 2HG2 VAL 28 2HG2 VAL 28 5.063 17.594 8.186 196 3HG2 VAL 28 3HG2 VAL 28 3.990 18.940 7.729 197 H CYS 29 HN CYS 29 3.363 17.577 11.855 198 HA CYS 29 HA CYS 29 2.764 18.981 14.091 199 1HB CYS 29 1HB CYS 29 1.843 16.857 14.996 200 2HB CYS 29 2HB CYS 29 1.324 17.250 13.369 201 H GLY 30 HN GLY 30 5.086 16.202 13.748 202 1HA GLY 30 HA1 GLY 30 7.228 16.353 14.809 203 2HA GLY 30 HA2 GLY 30 6.489 17.210 16.145 204 H ALA 31 HN ALA 31 4.094 15.110 15.573 205 HA ALA 31 HA ALA 31 4.564 13.516 17.765 206 1HB ALA 31 1HB ALA 31 2.937 12.319 15.596 207 2HB ALA 31 2HB ALA 31 2.494 12.714 17.275 208 3HB ALA 31 3HB ALA 31 2.492 13.988 16.031 209 H SER 32 HN SER 32 4.860 11.088 17.811 210 HA SER 32 HA SER 32 7.228 10.491 16.399 211 1HB SER 32 1HB SER 32 6.953 8.231 17.559 212 2HB SER 32 2HB SER 32 7.041 9.625 18.619 213 HG SER 32 HG SER 32 4.742 8.050 17.901 214 H LYS 33 HN LYS 33 7.387 8.163 15.305 215 HA LYS 33 HA LYS 33 5.457 8.199 13.174 216 1HB LYS 33 1HB LYS 33 6.942 6.335 12.296 217 2HB LYS 33 2HB LYS 33 7.683 7.913 12.474 218 1HG LYS 33 1HG LYS 33 9.109 7.206 14.128 219 2HG LYS 33 2HG LYS 33 7.878 6.243 14.919 220 1HD LYS 33 HD2 LYS 33 8.257 4.824 12.563 221 2HD LYS 33 HD3 LYS 33 9.869 5.445 12.859 222 1HE LYS 33 2HE LYS 33 10.195 4.068 14.656 223 2HE LYS 33 3HE LYS 33 8.611 4.410 15.322 224 1HZ LYS 33 HZ1 LYS 33 9.406 2.243 13.573 225 2HZ LYS 33 HZ2 LYS 33 8.198 2.290 14.664 226 H ASP 34 HN ASP 34 3.928 7.756 15.311 227 HA ASP 34 HA ASP 34 3.626 4.859 15.397 228 1HB ASP 34 1HB ASP 34 3.999 5.977 17.598 229 2HB ASP 34 2HB ASP 34 2.615 7.013 17.313 230 HD2 ASP 34 HD2 ASP 34 3.287 4.773 19.257 231 H ALA 35 HN ALA 35 1.848 8.037 15.384 232 HA ALA 35 HA ALA 35 -0.681 6.972 14.869 233 1HB ALA 35 1HB ALA 35 -0.457 9.571 13.716 234 2HB ALA 35 2HB ALA 35 -1.128 9.129 15.305 235 3HB ALA 35 3HB ALA 35 0.596 9.540 15.151 236 H PHE 36 HN PHE 36 2.162 7.365 12.870 237 HA PHE 36 HA PHE 36 0.954 7.674 10.384 238 1HB PHE 36 1HB PHE 36 3.517 6.455 11.514 239 2HB PHE 36 2HB PHE 36 3.210 6.325 9.794 240 HD1 PHE 36 HD1 PHE 36 3.650 8.761 12.548 241 HD2 PHE 36 HD2 PHE 36 3.624 8.142 8.349 242 HE1 PHE 36 HE1 PHE 36 4.605 11.056 12.204 243 HE2 PHE 36 HE2 PHE 36 4.579 10.437 8.005 244 HZ PHE 36 HZ PHE 36 5.058 11.867 9.937 245 H GLU 37 HN GLU 37 -0.003 6.277 8.933 246 HA GLU 37 HA GLU 37 0.022 3.466 9.711 247 1HB GLU 37 1HB GLU 37 -2.211 5.145 9.790 248 2HB GLU 37 2HB GLU 37 -2.392 4.334 8.247 249 1HG GLU 37 1HG GLU 37 -3.249 2.572 9.398 250 2HG GLU 37 2HG GLU 37 -1.620 2.254 9.961 251 HE2 GLU 37 HE2 GLU 37 -2.245 3.561 13.148 252 H LYS 38 HN LYS 38 0.027 1.927 7.963 253 HA LYS 38 HA LYS 38 1.243 2.978 5.589 254 1HB LYS 38 1HB LYS 38 1.850 0.827 6.875 255 2HB LYS 38 2HB LYS 38 0.461 0.106 6.088 256 1HG LYS 38 1HG LYS 38 1.417 0.221 3.957 257 2HG LYS 38 2HG LYS 38 2.385 1.630 4.345 258 1HD LYS 38 HD2 LYS 38 4.076 0.054 4.380 259 2HD LYS 38 HD3 LYS 38 3.564 -0.099 6.048 260 1HE LYS 38 2HE LYS 38 2.238 -2.064 5.569 261 2HE LYS 38 3HE LYS 38 2.338 -1.802 3.839 262 1HZ LYS 38 HZ1 LYS 38 4.955 -1.957 4.660 263 2HZ LYS 38 HZ2 LYS 38 4.220 -3.112 5.541 264 H GLN 39 HN GLN 39 -0.186 4.152 4.341 265 HA GLN 39 HA GLN 39 -2.195 2.575 3.052 266 1HB GLN 39 1HB GLN 39 -3.047 3.989 5.247 267 2HB GLN 39 2HB GLN 39 -3.276 5.190 3.992 268 1HG GLN 39 1HG GLN 39 -5.203 4.146 3.417 269 2HG GLN 39 2HG GLN 39 -4.254 2.783 2.860 270 1HE2 GLN 39 1HE2 GLN 39 -3.882 1.016 4.212 271 2HE2 GLN 39 2HE2 GLN 39 -4.870 0.670 5.592
Contact the webmaster for help, if required. Wednesday, June 5, 2024 7:12:40 AM GMT (wattos1)