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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
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4607 |
1fdm ![]() ![]() |
cing | recoord | dress | 1-original | 18 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 -17.437 14.521 2.244 2 2H ALA 1 HT3 ALA 1 -18.784 15.128 3.074 3 3H ALA 1 HT2 ALA 1 -18.829 13.562 2.418 4 HA ALA 1 HA ALA 1 -20.065 14.847 0.929 5 1HB ALA 1 HB3 ALA 1 -17.936 16.861 1.538 6 2HB ALA 1 HB2 ALA 1 -18.741 16.944 -0.028 7 3HB ALA 1 HB1 ALA 1 -19.684 17.072 1.456 8 H GLU 2 HN GLU 2 -19.088 12.686 0.134 9 HA GLU 2 HA GLU 2 -17.449 13.301 -2.269 10 1HB GLU 2 HB2 GLU 2 -16.358 12.069 -0.020 11 2HB GLU 2 HB1 GLU 2 -16.743 10.723 -1.095 12 1HG GLU 2 HG2 GLU 2 -14.653 11.280 -1.911 13 2HG GLU 2 HG1 GLU 2 -15.653 12.331 -2.916 14 H GLY 3 HN GLY 3 -18.601 12.562 -3.975 15 1HA GLY 3 HA2 GLY 3 -20.891 10.888 -3.761 16 2HA GLY 3 HA1 GLY 3 -20.024 11.213 -5.264 17 H ASP 4 HN ASP 4 -17.484 10.143 -4.253 18 HA ASP 4 HA ASP 4 -18.061 7.296 -4.749 19 1HB ASP 4 HB2 ASP 4 -16.129 8.653 -5.797 20 2HB ASP 4 HB1 ASP 4 -15.339 8.495 -4.228 21 H ASP 5 HN ASP 5 -19.188 7.109 -2.597 22 HA ASP 5 HA ASP 5 -19.198 6.349 -0.376 23 1HB ASP 5 HB2 ASP 5 -16.254 5.776 -0.709 24 2HB ASP 5 HB1 ASP 5 -17.438 4.904 0.264 25 HA PRO 6 HA PRO 6 -17.659 9.706 1.996 26 1HB PRO 6 HB2 PRO 6 -17.988 8.639 4.510 27 2HB PRO 6 HB1 PRO 6 -19.332 9.237 3.517 28 1HG PRO 6 HG2 PRO 6 -18.547 6.409 4.105 29 2HG PRO 6 HG1 PRO 6 -20.140 7.065 3.686 30 1HD PRO 6 HD2 PRO 6 -18.393 5.698 1.916 31 2HD PRO 6 HD1 PRO 6 -19.824 6.642 1.449 32 H ALA 7 HN ALA 7 -16.235 6.552 2.148 33 HA ALA 7 HA ALA 7 -13.695 7.775 3.109 34 1HB ALA 7 HB3 ALA 7 -15.276 5.689 4.438 35 2HB ALA 7 HB2 ALA 7 -13.600 5.217 4.156 36 3HB ALA 7 HB1 ALA 7 -13.963 6.678 5.075 37 H LYS 8 HN LYS 8 -14.014 7.445 0.483 38 HA LYS 8 HA LYS 8 -13.646 4.971 -0.746 39 1HB LYS 8 HB2 LYS 8 -12.633 6.136 -2.578 40 2HB LYS 8 HB1 LYS 8 -13.786 7.263 -1.862 41 1HG LYS 8 HG2 LYS 8 -11.553 7.812 -0.390 42 2HG LYS 8 HG1 LYS 8 -10.835 7.390 -1.945 43 1HD LYS 8 HD2 LYS 8 -13.205 9.133 -2.146 44 2HD LYS 8 HD1 LYS 8 -11.829 9.871 -1.323 45 1HE LYS 8 HE2 LYS 8 -10.396 9.537 -3.198 46 2HE LYS 8 HE1 LYS 8 -11.536 8.430 -3.964 47 1HZ LYS 8 HZ3 LYS 8 -12.093 11.297 -3.436 48 2HZ LYS 8 HZ2 LYS 8 -11.544 10.692 -4.925 49 3HZ LYS 8 HZ1 LYS 8 -13.058 10.217 -4.318 50 H ALA 9 HN ALA 9 -11.449 6.702 1.318 51 HA ALA 9 HA ALA 9 -8.980 5.542 0.550 52 1HB ALA 9 HB3 ALA 9 -10.077 6.834 2.972 53 2HB ALA 9 HB2 ALA 9 -8.735 5.730 3.268 54 3HB ALA 9 HB1 ALA 9 -8.532 7.089 2.164 55 H ALA 10 HN ALA 10 -11.071 4.465 3.272 56 HA ALA 10 HA ALA 10 -9.738 2.002 3.685 57 1HB ALA 10 HB1 ALA 10 -12.141 3.252 4.614 58 2HB ALA 10 HB3 ALA 10 -12.514 1.589 4.165 59 3HB ALA 10 HB2 ALA 10 -11.247 1.920 5.346 60 H PHE 11 HN PHE 11 -12.382 2.845 1.465 61 HA PHE 11 HA PHE 11 -13.141 0.329 0.559 62 1HB PHE 11 HB2 PHE 11 -13.210 3.006 -0.485 63 2HB PHE 11 HB1 PHE 11 -12.749 1.899 -1.778 64 HD1 PHE 11 HD2 PHE 11 -14.933 1.315 1.203 65 HD2 PHE 11 HD1 PHE 11 -14.691 1.600 -3.075 66 HE1 PHE 11 HE2 PHE 11 -17.287 0.546 1.019 67 HE2 PHE 11 HE1 PHE 11 -17.042 0.834 -3.261 68 HZ PHE 11 HZ PHE 11 -18.341 0.306 -1.214 69 H ASP 12 HN ASP 12 -10.256 2.188 -0.443 70 HA ASP 12 HA ASP 12 -9.284 0.113 -2.215 71 1HB ASP 12 HB2 ASP 12 -7.968 2.515 -0.925 72 2HB ASP 12 HB1 ASP 12 -7.094 1.415 -1.992 73 H SER 13 HN SER 13 -8.842 0.864 1.205 74 HA SER 13 HA SER 13 -6.713 -1.115 1.548 75 1HB SER 13 HB2 SER 13 -7.835 1.008 3.091 76 2HB SER 13 HB1 SER 13 -7.967 -0.472 4.038 77 HG SER 13 HG SER 13 -5.789 1.003 3.455 78 H LEU 14 HN LEU 14 -9.822 -0.940 3.330 79 HA LEU 14 HA LEU 14 -10.029 -3.573 4.106 80 1HB LEU 14 HB2 LEU 14 -12.445 -3.316 4.158 81 2HB LEU 14 HB1 LEU 14 -11.708 -1.781 4.616 82 HG LEU 14 HG LEU 14 -11.876 -1.388 1.960 83 1HD1 LEU 14 HD13 LEU 14 -14.147 -3.263 2.679 84 2HD1 LEU 14 HD12 LEU 14 -14.109 -2.268 1.222 85 3HD1 LEU 14 HD11 LEU 14 -12.904 -3.533 1.458 86 1HD2 LEU 14 HD21 LEU 14 -13.200 -0.492 4.270 87 2HD2 LEU 14 HD23 LEU 14 -13.230 0.270 2.679 88 3HD2 LEU 14 HD22 LEU 14 -14.487 -0.882 3.129 89 H GLN 15 HN GLN 15 -10.735 -2.329 0.829 90 HA GLN 15 HA GLN 15 -11.636 -4.953 -0.092 91 1HB GLN 15 HB2 GLN 15 -10.782 -2.511 -1.681 92 2HB GLN 15 HB1 GLN 15 -11.583 -3.934 -2.343 93 1HG GLN 15 HG2 GLN 15 -12.738 -2.106 -0.215 94 2HG GLN 15 HG1 GLN 15 -13.211 -2.124 -1.915 95 1HE2 GLN 15 HE22 GLN 15 -14.170 -5.812 -0.982 96 2HE2 GLN 15 HE21 GLN 15 -12.689 -5.279 -1.609 97 H ALA 16 HN ALA 16 -8.676 -3.016 -0.282 98 HA ALA 16 HA ALA 16 -7.130 -4.644 -1.920 99 1HB ALA 16 HB2 ALA 16 -6.403 -3.028 0.493 100 2HB ALA 16 HB1 ALA 16 -5.185 -3.884 -0.453 101 3HB ALA 16 HB3 ALA 16 -6.148 -2.610 -1.201 102 H SER 17 HN SER 17 -6.487 -4.715 1.418 103 HA SER 17 HA SER 17 -5.925 -7.589 1.322 104 1HB SER 17 HB2 SER 17 -5.368 -5.369 3.139 105 2HB SER 17 HB1 SER 17 -5.867 -6.823 3.999 106 HG SER 17 HG SER 17 -3.648 -6.360 2.351 107 H ALA 18 HN ALA 18 -8.062 -8.468 0.879 108 HA ALA 18 HA ALA 18 -9.892 -8.250 3.245 109 1HB ALA 18 HB3 ALA 18 -10.584 -8.353 0.299 110 2HB ALA 18 HB2 ALA 18 -11.770 -8.601 1.581 111 3HB ALA 18 HB1 ALA 18 -10.937 -7.053 1.439 112 H THR 19 HN THR 19 -10.529 -10.267 0.464 113 HA THR 19 HA THR 19 -9.306 -12.683 1.392 114 HB THR 19 HB THR 19 -10.760 -12.732 3.259 115 HG1 THR 19 HG1 THR 19 -12.242 -14.098 1.276 116 1HG2 THR 19 HG22 THR 19 -12.246 -10.883 2.027 117 2HG2 THR 19 HG21 THR 19 -13.251 -12.288 1.673 118 3HG2 THR 19 HG23 THR 19 -12.893 -11.857 3.345 119 H GLU 20 HN GLU 20 -12.480 -11.714 0.007 120 HA GLU 20 HA GLU 20 -12.695 -13.741 -1.925 121 1HB GLU 20 HB2 GLU 20 -13.883 -11.819 -3.276 122 2HB GLU 20 HB1 GLU 20 -14.611 -12.456 -1.809 123 1HG GLU 20 HG2 GLU 20 -12.665 -10.295 -1.334 124 2HG GLU 20 HG1 GLU 20 -14.090 -9.797 -2.248 125 H TYR 21 HN TYR 21 -12.373 -10.839 -3.590 126 HA TYR 21 HA TYR 21 -10.225 -11.899 -5.144 127 1HB TYR 21 HB2 TYR 21 -10.493 -9.652 -6.247 128 2HB TYR 21 HB1 TYR 21 -11.882 -10.679 -6.355 129 HD1 TYR 21 HD2 TYR 21 -10.409 -7.695 -4.779 130 HD2 TYR 21 HD1 TYR 21 -13.919 -10.136 -5.155 131 HE1 TYR 21 HE2 TYR 21 -11.755 -5.914 -3.711 132 HE2 TYR 21 HE1 TYR 21 -15.269 -8.355 -4.090 133 HH TYR 21 HH TYR 21 -15.283 -6.209 -3.425 134 H ILE 22 HN ILE 22 -10.433 -10.546 -2.134 135 HA ILE 22 HA ILE 22 -8.987 -9.200 -0.831 136 HB ILE 22 HB ILE 22 -7.755 -11.298 -0.941 137 1HG1 ILE 22 HG12 ILE 22 -5.551 -9.423 -1.526 138 2HG1 ILE 22 HG11 ILE 22 -6.694 -8.868 -0.314 139 1HG2 ILE 22 HG22 ILE 22 -6.654 -10.168 -3.531 140 2HG2 ILE 22 HG21 ILE 22 -6.019 -11.597 -2.719 141 3HG2 ILE 22 HG23 ILE 22 -7.660 -11.605 -3.352 142 1HD1 ILE 22 HD11 ILE 22 -5.273 -11.547 -0.280 143 2HD1 ILE 22 HD13 ILE 22 -4.848 -10.155 0.717 144 3HD1 ILE 22 HD12 ILE 22 -6.400 -10.961 0.943 145 H GLY 23 HN GLY 23 -9.989 -7.670 -2.853 146 1HA GLY 23 HA2 GLY 23 -9.506 -5.875 -4.322 147 2HA GLY 23 HA1 GLY 23 -8.290 -5.491 -3.098 148 H TYR 24 HN TYR 24 -6.178 -6.169 -3.406 149 HA TYR 24 HA TYR 24 -5.285 -8.010 -5.287 150 1HB TYR 24 HB2 TYR 24 -6.251 -5.812 -6.644 151 2HB TYR 24 HB1 TYR 24 -4.511 -5.507 -6.562 152 HD1 TYR 24 HD1 TYR 24 -6.541 -8.659 -6.746 153 HD2 TYR 24 HD2 TYR 24 -3.505 -6.208 -8.530 154 HE1 TYR 24 HE1 TYR 24 -6.100 -10.424 -8.425 155 HE2 TYR 24 HE2 TYR 24 -3.065 -7.964 -10.212 156 HH TYR 24 HH TYR 24 -3.389 -10.229 -10.638 157 H ALA 25 HN ALA 25 -4.735 -7.138 -2.692 158 HA ALA 25 HA ALA 25 -1.975 -6.046 -2.963 159 1HB ALA 25 HB2 ALA 25 -4.044 -5.302 -1.246 160 2HB ALA 25 HB1 ALA 25 -3.018 -6.328 -0.244 161 3HB ALA 25 HB3 ALA 25 -2.339 -4.907 -1.037 162 H TRP 26 HN TRP 26 -3.951 -8.757 -2.036 163 HA TRP 26 HA TRP 26 -2.512 -10.292 -0.312 164 1HB TRP 26 HB2 TRP 26 -3.594 -12.123 -1.194 165 2HB TRP 26 HB1 TRP 26 -4.498 -10.860 -2.010 166 HD1 TRP 26 HD1 TRP 26 -2.746 -13.939 -2.726 167 HE1 TRP 26 HE1 TRP 26 -2.138 -14.161 -5.204 168 HE3 TRP 26 HE3 TRP 26 -3.452 -9.103 -4.276 169 HZ2 TRP 26 HZ2 TRP 26 -1.967 -12.537 -7.536 170 HZ3 TRP 26 HZ3 TRP 26 -3.058 -8.486 -6.639 171 HH2 TRP 26 HH2 TRP 26 -2.312 -10.197 -8.268 172 H ALA 27 HN ALA 27 -1.414 -9.438 -3.519 173 HA ALA 27 HA ALA 27 1.159 -10.758 -2.867 174 1HB ALA 27 HB3 ALA 27 -0.313 -11.922 -4.664 175 2HB ALA 27 HB2 ALA 27 0.144 -10.565 -5.692 176 3HB ALA 27 HB1 ALA 27 1.385 -11.635 -5.041 177 H MET 28 HN MET 28 -0.086 -8.687 -5.469 178 HA MET 28 HA MET 28 2.115 -7.223 -6.020 179 1HB MET 28 HB2 MET 28 -0.721 -6.212 -5.810 180 2HB MET 28 HB1 MET 28 0.587 -5.349 -6.620 181 1HG MET 28 HG2 MET 28 0.339 -8.154 -7.461 182 2HG MET 28 HG1 MET 28 -1.081 -7.175 -7.835 183 1HE MET 28 HE2 MET 28 2.388 -8.099 -8.297 184 2HE MET 28 HE1 MET 28 1.609 -8.512 -9.822 185 3HE MET 28 HE3 MET 28 2.922 -7.326 -9.787 186 H VAL 29 HN VAL 29 0.163 -6.987 -3.106 187 HA VAL 29 HA VAL 29 0.975 -4.404 -2.237 188 HB VAL 29 HB VAL 29 -0.750 -6.058 -1.197 189 1HG1 VAL 29 HG12 VAL 29 0.889 -7.874 -0.758 190 2HG1 VAL 29 HG11 VAL 29 1.756 -6.811 0.347 191 3HG1 VAL 29 HG13 VAL 29 0.114 -7.330 0.727 192 1HG2 VAL 29 HG21 VAL 29 1.117 -4.341 0.467 193 2HG2 VAL 29 HG23 VAL 29 -0.385 -3.831 -0.303 194 3HG2 VAL 29 HG22 VAL 29 -0.428 -4.964 1.048 195 H VAL 30 HN VAL 30 2.511 -7.567 -1.561 196 HA VAL 30 HA VAL 30 4.760 -6.309 -0.205 197 HB VAL 30 HB VAL 30 4.337 -9.132 -1.227 198 1HG1 VAL 30 HG12 VAL 30 6.732 -7.816 -0.388 199 2HG1 VAL 30 HG11 VAL 30 6.262 -8.948 0.880 200 3HG1 VAL 30 HG13 VAL 30 6.505 -9.523 -0.770 201 1HG2 VAL 30 HG23 VAL 30 3.661 -7.650 1.247 202 2HG2 VAL 30 HG22 VAL 30 2.914 -9.093 0.559 203 3HG2 VAL 30 HG21 VAL 30 4.399 -9.233 1.500 204 H VAL 31 HN VAL 31 3.977 -7.233 -3.465 205 HA VAL 31 HA VAL 31 6.630 -7.376 -4.514 206 HB VAL 31 HB VAL 31 3.995 -6.606 -5.793 207 1HG1 VAL 31 HG12 VAL 31 6.683 -6.285 -6.777 208 2HG1 VAL 31 HG11 VAL 31 5.864 -7.535 -7.712 209 3HG1 VAL 31 HG13 VAL 31 5.161 -5.923 -7.592 210 1HG2 VAL 31 HG21 VAL 31 5.238 -9.085 -5.019 211 2HG2 VAL 31 HG23 VAL 31 3.670 -8.836 -5.788 212 3HG2 VAL 31 HG22 VAL 31 5.117 -9.027 -6.778 213 H ILE 32 HN ILE 32 4.323 -4.676 -5.037 214 HA ILE 32 HA ILE 32 6.370 -2.837 -5.724 215 HB ILE 32 HB ILE 32 4.161 -2.384 -6.335 216 1HG1 ILE 32 HG12 ILE 32 4.507 -0.327 -4.223 217 2HG1 ILE 32 HG11 ILE 32 5.767 -0.498 -5.446 218 1HG2 ILE 32 HG23 ILE 32 3.377 -3.469 -3.999 219 2HG2 ILE 32 HG22 ILE 32 3.144 -1.757 -3.657 220 3HG2 ILE 32 HG21 ILE 32 2.313 -2.507 -5.020 221 1HD1 ILE 32 HD12 ILE 32 2.913 -0.369 -6.343 222 2HD1 ILE 32 HD11 ILE 32 3.713 1.125 -5.854 223 3HD1 ILE 32 HD13 ILE 32 4.372 0.164 -7.178 224 H VAL 33 HN VAL 33 4.544 -3.076 -2.623 225 HA VAL 33 HA VAL 33 5.974 -1.083 -1.289 226 HB VAL 33 HB VAL 33 4.980 -3.756 -0.240 227 1HG1 VAL 33 HG12 VAL 33 6.649 -1.736 1.019 228 2HG1 VAL 33 HG11 VAL 33 5.111 -1.913 1.865 229 3HG1 VAL 33 HG13 VAL 33 6.155 -3.315 1.631 230 1HG2 VAL 33 HG23 VAL 33 3.879 -0.934 -0.275 231 2HG2 VAL 33 HG22 VAL 33 3.159 -2.383 -0.978 232 3HG2 VAL 33 HG21 VAL 33 3.229 -2.193 0.774 233 H GLY 34 HN GLY 34 7.047 -4.178 -2.412 234 1HA GLY 34 HA2 GLY 34 9.414 -4.347 -0.744 235 2HA GLY 34 HA1 GLY 34 9.191 -5.161 -2.302 236 H ALA 35 HN ALA 35 8.769 -3.156 -4.030 237 HA ALA 35 HA ALA 35 11.387 -2.028 -4.416 238 1HB ALA 35 HB1 ALA 35 9.319 -2.567 -6.076 239 2HB ALA 35 HB3 ALA 35 9.082 -0.833 -5.857 240 3HB ALA 35 HB2 ALA 35 10.612 -1.440 -6.488 241 H THR 36 HN THR 36 8.199 -0.446 -3.590 242 HA THR 36 HA THR 36 9.245 2.177 -3.351 243 HB THR 36 HB THR 36 7.130 1.196 -1.460 244 HG1 THR 36 HG1 THR 36 5.749 1.584 -3.436 245 1HG2 THR 36 HG21 THR 36 7.917 3.694 -2.843 246 2HG2 THR 36 HG23 THR 36 6.183 3.407 -2.703 247 3HG2 THR 36 HG22 THR 36 7.187 3.468 -1.254 248 H ILE 37 HN ILE 37 8.486 0.022 -0.606 249 HA ILE 37 HA ILE 37 10.011 1.513 1.302 250 HB ILE 37 HB ILE 37 9.197 -1.394 1.266 251 1HG1 ILE 37 HG12 ILE 37 7.354 0.309 1.151 252 2HG1 ILE 37 HG11 ILE 37 7.322 -0.643 2.635 253 1HG2 ILE 37 HG22 ILE 37 10.606 0.314 3.268 254 2HG2 ILE 37 HG21 ILE 37 9.380 -0.797 3.875 255 3HG2 ILE 37 HG23 ILE 37 10.757 -1.416 2.965 256 1HD1 ILE 37 HD11 ILE 37 9.026 1.654 3.001 257 2HD1 ILE 37 HD13 ILE 37 7.448 2.175 2.411 258 3HD1 ILE 37 HD12 ILE 37 7.566 1.213 3.884 259 H GLY 38 HN GLY 38 10.990 -0.611 -1.169 260 1HA GLY 38 HA2 GLY 38 13.432 -1.578 0.078 261 2HA GLY 38 HA1 GLY 38 13.031 -1.705 -1.637 262 H ILE 39 HN ILE 39 13.212 0.342 -2.907 263 HA ILE 39 HA ILE 39 15.748 1.579 -2.522 264 HB ILE 39 HB ILE 39 14.412 1.454 -4.695 265 1HG1 ILE 39 HG12 ILE 39 15.051 4.318 -4.415 266 2HG1 ILE 39 HG11 ILE 39 16.323 3.242 -3.833 267 1HG2 ILE 39 HG21 ILE 39 12.405 2.568 -3.281 268 2HG2 ILE 39 HG23 ILE 39 13.126 4.034 -3.947 269 3HG2 ILE 39 HG22 ILE 39 12.552 2.764 -5.027 270 1HD1 ILE 39 HD12 ILE 39 15.011 2.710 -6.486 271 2HD1 ILE 39 HD11 ILE 39 16.292 3.916 -6.363 272 3HD1 ILE 39 HD13 ILE 39 16.616 2.239 -5.927 273 H LYS 40 HN LYS 40 12.711 2.066 -1.001 274 HA LYS 40 HA LYS 40 13.055 4.898 -0.391 275 1HB LYS 40 HB2 LYS 40 10.825 3.983 -0.291 276 2HB LYS 40 HB1 LYS 40 11.336 2.720 0.827 277 1HG LYS 40 HG2 LYS 40 10.337 4.281 2.263 278 2HG LYS 40 HG1 LYS 40 12.039 4.720 2.366 279 1HD LYS 40 HD2 LYS 40 11.136 6.143 0.157 280 2HD LYS 40 HD1 LYS 40 9.795 6.251 1.298 281 1HE LYS 40 HE2 LYS 40 11.325 7.050 3.047 282 2HE LYS 40 HE1 LYS 40 12.685 6.911 1.934 283 1HZ LYS 40 HZ2 LYS 40 10.862 8.389 0.558 284 2HZ LYS 40 HZ1 LYS 40 10.714 8.973 2.146 285 3HZ LYS 40 HZ3 LYS 40 12.223 8.997 1.375 286 H LEU 41 HN LEU 41 12.877 2.280 2.008 287 HA LEU 41 HA LEU 41 14.338 3.580 4.016 288 1HB LEU 41 HB2 LEU 41 13.428 0.884 3.485 289 2HB LEU 41 HB1 LEU 41 15.020 0.859 4.243 290 HG LEU 41 HG LEU 41 12.977 2.728 5.362 291 1HD1 LEU 41 HD13 LEU 41 12.993 -0.275 5.790 292 2HD1 LEU 41 HD12 LEU 41 12.123 0.870 6.811 293 3HD1 LEU 41 HD11 LEU 41 11.677 0.685 5.114 294 1HD2 LEU 41 HD22 LEU 41 15.445 1.294 6.192 295 2HD2 LEU 41 HD21 LEU 41 14.876 2.903 6.636 296 3HD2 LEU 41 HD23 LEU 41 14.208 1.480 7.437 297 H PHE 42 HN PHE 42 15.534 1.846 1.200 298 HA PHE 42 HA PHE 42 18.276 1.696 2.132 299 1HB PHE 42 HB2 PHE 42 16.853 1.225 -0.460 300 2HB PHE 42 HB1 PHE 42 18.601 1.448 -0.498 301 HD1 PHE 42 HD1 PHE 42 17.240 0.095 2.582 302 HD2 PHE 42 HD2 PHE 42 18.715 -0.953 -1.316 303 HE1 PHE 42 HE1 PHE 42 17.559 -2.248 3.333 304 HE2 PHE 42 HE2 PHE 42 19.032 -3.296 -0.565 305 HZ PHE 42 HZ PHE 42 18.453 -3.943 1.759 306 H LYS 43 HN LYS 43 16.990 3.562 -0.643 307 HA LYS 43 HA LYS 43 19.206 5.458 -0.433 308 1HB LYS 43 HB2 LYS 43 16.862 5.097 -2.272 309 2HB LYS 43 HB1 LYS 43 17.737 6.629 -2.274 310 1HG LYS 43 HG2 LYS 43 19.394 4.159 -2.349 311 2HG LYS 43 HG1 LYS 43 18.478 4.538 -3.808 312 1HD LYS 43 HD2 LYS 43 19.990 6.107 -4.354 313 2HD LYS 43 HD1 LYS 43 19.641 6.963 -2.852 314 1HE LYS 43 HE2 LYS 43 21.684 6.410 -2.092 315 2HE LYS 43 HE1 LYS 43 21.220 4.709 -2.156 316 1HZ LYS 43 HZ3 LYS 43 21.799 4.822 -4.589 317 2HZ LYS 43 HZ2 LYS 43 22.523 6.325 -4.269 318 3HZ LYS 43 HZ1 LYS 43 23.106 4.919 -3.515 319 H LYS 44 HN LYS 44 16.793 5.211 1.622 320 HA LYS 44 HA LYS 44 15.558 7.835 1.521 321 1HB LYS 44 HB2 LYS 44 14.309 6.193 2.694 322 2HB LYS 44 HB1 LYS 44 15.715 5.662 3.617 323 1HG LYS 44 HG2 LYS 44 15.685 7.591 4.990 324 2HG LYS 44 HG1 LYS 44 14.645 8.474 3.871 325 1HD LYS 44 HD2 LYS 44 12.807 6.866 4.351 326 2HD LYS 44 HD1 LYS 44 13.846 6.065 5.531 327 1HE LYS 44 HE2 LYS 44 12.925 7.519 7.016 328 2HE LYS 44 HE1 LYS 44 14.046 8.686 6.315 329 1HZ LYS 44 HZ2 LYS 44 11.588 8.316 4.837 330 2HZ LYS 44 HZ1 LYS 44 11.389 8.998 6.380 331 3HZ LYS 44 HZ3 LYS 44 12.406 9.748 5.250 332 H PHE 45 HN PHE 45 18.342 6.427 3.184 333 HA PHE 45 HA PHE 45 19.683 8.947 3.422 334 1HB PHE 45 HB2 PHE 45 17.819 8.245 5.562 335 2HB PHE 45 HB1 PHE 45 19.465 8.461 6.158 336 HD1 PHE 45 HD2 PHE 45 20.744 10.580 5.284 337 HD2 PHE 45 HD1 PHE 45 16.474 10.124 5.187 338 HE1 PHE 45 HE2 PHE 45 20.485 13.042 5.106 339 HE2 PHE 45 HE1 PHE 45 16.215 12.584 5.010 340 HZ PHE 45 HZ PHE 45 18.220 14.042 4.970 341 H THR 46 HN THR 46 20.142 6.143 2.677 342 HA THR 46 HA THR 46 22.032 4.734 2.776 343 HB THR 46 HB THR 46 23.113 5.935 5.262 344 HG1 THR 46 HG1 THR 46 23.870 7.625 3.514 345 1HG2 THR 46 HG23 THR 46 24.219 4.259 3.663 346 2HG2 THR 46 HG22 THR 46 24.393 5.613 2.547 347 3HG2 THR 46 HG21 THR 46 25.180 5.663 4.124 348 H SER 47 HN SER 47 19.473 4.781 4.614 349 HA SER 47 HA SER 47 19.528 2.228 5.639 350 1HB SER 47 HB2 SER 47 21.220 4.028 7.233 351 2HB SER 47 HB1 SER 47 20.027 3.151 8.186 352 HG SER 47 HG SER 47 21.849 1.875 7.988 353 H LYS 48 HN LYS 48 19.050 4.752 8.031 354 HA LYS 48 HA LYS 48 16.100 4.561 7.556 355 1HB LYS 48 HB2 LYS 48 16.101 5.137 10.140 356 2HB LYS 48 HB1 LYS 48 16.318 3.471 9.603 357 1HG LYS 48 HG2 LYS 48 18.727 3.650 9.818 358 2HG LYS 48 HG1 LYS 48 18.607 5.374 10.174 359 1HD LYS 48 HD2 LYS 48 17.512 4.954 12.268 360 2HD LYS 48 HD1 LYS 48 17.292 3.247 11.879 361 1HE LYS 48 HE2 LYS 48 19.165 3.223 13.298 362 2HE LYS 48 HE1 LYS 48 19.888 3.193 11.690 363 1HZ LYS 48 HZ3 LYS 48 19.365 5.851 12.613 364 2HZ LYS 48 HZ2 LYS 48 20.417 5.009 13.649 365 3HZ LYS 48 HZ1 LYS 48 20.799 5.183 12.003 366 H ALA 49 HN ALA 49 18.782 6.579 8.713 367 HA ALA 49 HA ALA 49 17.631 8.952 7.522 368 1HB ALA 49 HB2 ALA 49 16.345 8.506 9.769 369 2HB ALA 49 HB1 ALA 49 17.819 9.120 10.518 370 3HB ALA 49 HB3 ALA 49 16.906 10.138 9.404 371 H SER 50 HN SER 50 20.175 7.368 7.762 372 HA SER 50 HA SER 50 22.017 9.142 9.200 373 1HB SER 50 HB2 SER 50 22.734 6.954 7.242 374 2HB SER 50 HB1 SER 50 23.740 7.620 8.526 375 HG SER 50 HG SER 50 21.537 5.883 8.661 No H/Q in entry = 375 Start of MODEL 2 1 1H ALA 1 HT2 ALA 1 1.816 5.208 -11.449 2 2H ALA 1 HT1 ALA 1 1.022 5.193 -9.947 3 3H ALA 1 HT3 ALA 1 2.021 6.498 -10.362 4 HA ALA 1 HA ALA 1 3.903 5.442 -9.801 5 1HB ALA 1 HB2 ALA 1 2.149 5.112 -7.920 6 2HB ALA 1 HB1 ALA 1 2.099 3.433 -8.456 7 3HB ALA 1 HB3 ALA 1 3.609 4.124 -7.863 8 H GLU 2 HN GLU 2 4.639 4.598 -11.830 9 HA GLU 2 HA GLU 2 3.767 1.997 -12.791 10 1HB GLU 2 HB2 GLU 2 5.437 4.142 -13.726 11 2HB GLU 2 HB1 GLU 2 6.335 2.628 -13.842 12 1HG GLU 2 HG2 GLU 2 4.960 1.785 -15.452 13 2HG GLU 2 HG1 GLU 2 3.514 2.480 -14.719 14 H GLY 3 HN GLY 3 4.491 0.041 -12.093 15 1HA GLY 3 HA2 GLY 3 7.107 -0.705 -11.476 16 2HA GLY 3 HA1 GLY 3 6.429 -0.134 -9.950 17 H ASP 4 HN ASP 4 5.976 -2.505 -12.547 18 HA ASP 4 HA ASP 4 4.207 -4.059 -10.711 19 1HB ASP 4 HB2 ASP 4 3.703 -5.365 -12.861 20 2HB ASP 4 HB1 ASP 4 3.095 -3.710 -12.790 21 H ASP 5 HN ASP 5 6.070 -4.856 -9.501 22 HA ASP 5 HA ASP 5 7.785 -6.765 -11.030 23 1HB ASP 5 HB2 ASP 5 8.173 -5.227 -8.471 24 2HB ASP 5 HB1 ASP 5 9.102 -6.696 -8.771 25 HA PRO 6 HA PRO 6 5.757 -10.077 -8.994 26 1HB PRO 6 HB2 PRO 6 7.716 -11.989 -9.270 27 2HB PRO 6 HB1 PRO 6 6.675 -11.453 -10.602 28 1HG PRO 6 HG2 PRO 6 9.549 -10.808 -10.095 29 2HG PRO 6 HG1 PRO 6 8.660 -10.832 -11.628 30 1HD PRO 6 HD2 PRO 6 9.337 -8.511 -10.135 31 2HD PRO 6 HD1 PRO 6 8.195 -8.585 -11.494 32 H ALA 7 HN ALA 7 9.160 -10.730 -8.183 33 HA ALA 7 HA ALA 7 8.599 -11.395 -5.464 34 1HB ALA 7 HB1 ALA 7 10.774 -11.659 -7.091 35 2HB ALA 7 HB3 ALA 7 11.303 -10.343 -6.044 36 3HB ALA 7 HB2 ALA 7 10.823 -11.889 -5.344 37 H LYS 8 HN LYS 8 10.051 -8.424 -6.847 38 HA LYS 8 HA LYS 8 10.435 -6.942 -4.531 39 1HB LYS 8 HB2 LYS 8 10.665 -6.313 -7.104 40 2HB LYS 8 HB1 LYS 8 9.094 -5.561 -6.823 41 1HG LYS 8 HG2 LYS 8 10.223 -4.518 -4.721 42 2HG LYS 8 HG1 LYS 8 11.737 -4.933 -5.523 43 1HD LYS 8 HD2 LYS 8 11.487 -2.901 -6.520 44 2HD LYS 8 HD1 LYS 8 10.377 -3.771 -7.580 45 1HE LYS 8 HE2 LYS 8 8.828 -3.154 -5.344 46 2HE LYS 8 HE1 LYS 8 9.801 -1.706 -5.603 47 1HZ LYS 8 HZ3 LYS 8 8.203 -3.084 -7.692 48 2HZ LYS 8 HZ2 LYS 8 7.728 -1.673 -6.873 49 3HZ LYS 8 HZ1 LYS 8 9.089 -1.652 -7.892 50 H ALA 9 HN ALA 9 7.363 -7.484 -6.243 51 HA ALA 9 HA ALA 9 5.656 -5.744 -4.923 52 1HB ALA 9 HB3 ALA 9 5.317 -7.994 -6.501 53 2HB ALA 9 HB2 ALA 9 4.565 -8.465 -4.978 54 3HB ALA 9 HB1 ALA 9 4.014 -7.019 -5.823 55 H ALA 10 HN ALA 10 6.190 -9.096 -3.764 56 HA ALA 10 HA ALA 10 5.062 -8.711 -1.205 57 1HB ALA 10 HB1 ALA 10 7.370 -10.524 -1.971 58 2HB ALA 10 HB3 ALA 10 6.395 -10.669 -0.509 59 3HB ALA 10 HB2 ALA 10 5.659 -10.935 -2.090 60 H PHE 11 HN PHE 11 8.379 -8.123 -2.352 61 HA PHE 11 HA PHE 11 9.746 -7.639 -0.002 62 1HB PHE 11 HB2 PHE 11 10.352 -7.150 -2.560 63 2HB PHE 11 HB1 PHE 11 9.953 -5.501 -2.078 64 HD1 PHE 11 HD1 PHE 11 12.129 -8.413 -1.327 65 HD2 PHE 11 HD2 PHE 11 11.373 -4.246 -0.615 66 HE1 PHE 11 HE1 PHE 11 14.331 -8.206 -0.206 67 HE2 PHE 11 HE2 PHE 11 13.575 -4.038 0.507 68 HZ PHE 11 HZ PHE 11 15.055 -6.019 0.711 69 H ASP 12 HN ASP 12 7.599 -5.302 -1.645 70 HA ASP 12 HA ASP 12 7.781 -3.326 0.440 71 1HB ASP 12 HB2 ASP 12 5.963 -3.831 -1.885 72 2HB ASP 12 HB1 ASP 12 5.427 -2.704 -0.639 73 H SER 13 HN SER 13 5.602 -6.060 -0.157 74 HA SER 13 HA SER 13 3.838 -5.421 2.066 75 1HB SER 13 HB2 SER 13 3.964 -7.385 -0.039 76 2HB SER 13 HB1 SER 13 3.656 -8.183 1.500 77 HG SER 13 HG SER 13 2.215 -6.058 0.288 78 H LEU 14 HN LEU 14 5.680 -8.474 1.749 79 HA LEU 14 HA LEU 14 5.766 -9.183 4.427 80 1HB LEU 14 HB2 LEU 14 8.419 -9.537 3.162 81 2HB LEU 14 HB1 LEU 14 7.354 -10.737 3.885 82 HG LEU 14 HG LEU 14 7.091 -9.529 1.128 83 1HD1 LEU 14 HD13 LEU 14 8.230 -12.029 2.245 84 2HD1 LEU 14 HD12 LEU 14 7.248 -12.209 0.792 85 3HD1 LEU 14 HD11 LEU 14 8.661 -11.156 0.775 86 1HD2 LEU 14 HD21 LEU 14 4.934 -10.100 2.463 87 2HD2 LEU 14 HD23 LEU 14 5.105 -10.789 0.848 88 3HD2 LEU 14 HD22 LEU 14 5.435 -11.781 2.269 89 H GLN 15 HN GLN 15 8.282 -7.220 2.804 90 HA GLN 15 HA GLN 15 9.755 -6.593 5.142 91 1HB GLN 15 HB2 GLN 15 10.220 -5.988 2.635 92 2HB GLN 15 HB1 GLN 15 9.323 -4.514 3.010 93 1HG GLN 15 HG2 GLN 15 11.551 -3.924 3.491 94 2HG GLN 15 HG1 GLN 15 10.896 -4.351 5.073 95 1HE2 GLN 15 HE22 GLN 15 13.093 -7.070 5.516 96 2HE2 GLN 15 HE21 GLN 15 11.888 -6.079 6.184 97 H ALA 16 HN ALA 16 7.105 -4.720 3.637 98 HA ALA 16 HA ALA 16 6.842 -2.702 5.505 99 1HB ALA 16 HB1 ALA 16 4.792 -4.218 3.945 100 2HB ALA 16 HB3 ALA 16 4.313 -2.930 5.052 101 3HB ALA 16 HB2 ALA 16 5.364 -2.571 3.683 102 H SER 17 HN SER 17 4.429 -5.089 5.713 103 HA SER 17 HA SER 17 4.363 -4.951 8.604 104 1HB SER 17 HB2 SER 17 2.686 -5.983 6.536 105 2HB SER 17 HB1 SER 17 3.018 -7.297 7.660 106 HG SER 17 HG SER 17 2.341 -4.727 8.600 107 H ALA 18 HN ALA 18 6.609 -5.579 9.083 108 HA ALA 18 HA ALA 18 7.105 -8.503 8.652 109 1HB ALA 18 HB2 ALA 18 8.962 -6.146 8.958 110 2HB ALA 18 HB1 ALA 18 9.527 -7.794 9.230 111 3HB ALA 18 HB3 ALA 18 8.895 -7.329 7.651 112 H THR 19 HN THR 19 8.816 -6.506 10.956 113 HA THR 19 HA THR 19 7.333 -7.027 13.308 114 HB THR 19 HB THR 19 7.633 -9.374 13.069 115 HG1 THR 19 HG1 THR 19 8.987 -9.850 14.783 116 1HG2 THR 19 HG22 THR 19 9.493 -8.931 11.282 117 2HG2 THR 19 HG21 THR 19 10.592 -9.101 12.651 118 3HG2 THR 19 HG23 THR 19 9.526 -10.432 12.208 119 H GLU 20 HN GLU 20 10.732 -7.295 12.213 120 HA GLU 20 HA GLU 20 11.916 -5.962 14.416 121 1HB GLU 20 HB2 GLU 20 13.693 -5.354 12.638 122 2HB GLU 20 HB1 GLU 20 13.416 -7.059 12.980 123 1HG GLU 20 HG2 GLU 20 11.557 -6.111 10.974 124 2HG GLU 20 HG1 GLU 20 13.220 -5.796 10.480 125 H TYR 21 HN TYR 21 12.638 -4.144 11.710 126 HA TYR 21 HA TYR 21 11.574 -1.776 12.857 127 1HB TYR 21 HB2 TYR 21 12.373 -0.878 10.629 128 2HB TYR 21 HB1 TYR 21 13.607 -1.544 11.644 129 HD1 TYR 21 HD2 TYR 21 11.453 -2.140 8.690 130 HD2 TYR 21 HD1 TYR 21 14.811 -3.512 10.985 131 HE1 TYR 21 HE2 TYR 21 12.046 -3.716 6.873 132 HE2 TYR 21 HE1 TYR 21 15.408 -5.089 9.167 133 HH TYR 21 HH TYR 21 14.877 -5.875 7.166 134 H ILE 22 HN ILE 22 10.158 -4.334 11.311 135 HA ILE 22 HA ILE 22 8.213 -4.706 10.100 136 HB ILE 22 HB ILE 22 7.371 -3.625 12.208 137 1HG1 ILE 22 HG12 ILE 22 5.283 -2.642 10.603 138 2HG1 ILE 22 HG11 ILE 22 6.041 -3.908 9.648 139 1HG2 ILE 22 HG22 ILE 22 7.718 -1.201 10.488 140 2HG2 ILE 22 HG21 ILE 22 6.394 -1.244 11.644 141 3HG2 ILE 22 HG23 ILE 22 8.054 -1.413 12.206 142 1HD1 ILE 22 HD11 ILE 22 5.984 -5.253 11.908 143 2HD1 ILE 22 HD13 ILE 22 4.714 -4.104 12.330 144 3HD1 ILE 22 HD12 ILE 22 4.527 -5.144 10.919 145 H GLY 23 HN GLY 23 10.165 -3.612 8.472 146 1HA GLY 23 HA2 GLY 23 10.517 -2.207 6.572 147 2HA GLY 23 HA1 GLY 23 8.955 -2.901 6.133 148 H TYR 24 HN TYR 24 9.361 -0.800 8.886 149 HA TYR 24 HA TYR 24 8.180 1.093 9.455 150 1HB TYR 24 HB2 TYR 24 10.197 1.793 7.903 151 2HB TYR 24 HB1 TYR 24 8.892 2.237 6.792 152 HD1 TYR 24 HD1 TYR 24 6.957 3.586 7.733 153 HD2 TYR 24 HD2 TYR 24 10.731 3.213 9.709 154 HE1 TYR 24 HE1 TYR 24 6.415 5.574 9.101 155 HE2 TYR 24 HE2 TYR 24 10.207 5.205 11.086 156 HH TYR 24 HH TYR 24 8.451 6.546 11.788 157 H ALA 25 HN ALA 25 6.296 -0.493 8.933 158 HA ALA 25 HA ALA 25 4.518 0.954 7.015 159 1HB ALA 25 HB3 ALA 25 5.330 -1.844 6.991 160 2HB ALA 25 HB2 ALA 25 3.578 -1.680 7.118 161 3HB ALA 25 HB1 ALA 25 4.439 -0.931 5.773 162 H TRP 26 HN TRP 26 4.830 -0.984 9.942 163 HA TRP 26 HA TRP 26 2.254 -1.287 10.818 164 1HB TRP 26 HB2 TRP 26 3.125 -1.578 12.921 165 2HB TRP 26 HB1 TRP 26 4.623 -1.613 12.007 166 HD1 TRP 26 HD1 TRP 26 3.311 -0.152 14.972 167 HE1 TRP 26 HE1 TRP 26 4.539 1.980 15.660 168 HE3 TRP 26 HE3 TRP 26 5.754 0.940 10.596 169 HZ2 TRP 26 HZ2 TRP 26 6.311 3.902 14.547 170 HZ3 TRP 26 HZ3 TRP 26 7.208 2.931 10.474 171 HH2 TRP 26 HH2 TRP 26 7.487 4.416 12.432 172 H ALA 27 HN ALA 27 3.843 1.800 10.366 173 HA ALA 27 HA ALA 27 1.485 3.122 11.627 174 1HB ALA 27 HB2 ALA 27 4.071 3.567 12.245 175 2HB ALA 27 HB1 ALA 27 3.896 4.711 10.914 176 3HB ALA 27 HB3 ALA 27 2.845 4.832 12.325 177 H MET 28 HN MET 28 3.834 4.037 9.100 178 HA MET 28 HA MET 28 2.129 5.658 7.660 179 1HB MET 28 HB2 MET 28 4.743 4.912 7.401 180 2HB MET 28 HB1 MET 28 4.009 4.139 5.995 181 1HG MET 28 HG2 MET 28 3.992 6.129 4.945 182 2HG MET 28 HG1 MET 28 2.889 6.742 6.176 183 1HE MET 28 HE2 MET 28 6.374 5.452 5.839 184 2HE MET 28 HE1 MET 28 6.651 6.868 4.828 185 3HE MET 28 HE3 MET 28 7.459 6.722 6.396 186 H VAL 29 HN VAL 29 2.742 2.186 7.240 187 HA VAL 29 HA VAL 29 1.256 1.679 4.941 188 HB VAL 29 HB VAL 29 2.536 0.092 6.718 189 1HG1 VAL 29 HG13 VAL 29 0.497 0.338 8.281 190 2HG1 VAL 29 HG12 VAL 29 -0.357 -0.696 7.135 191 3HG1 VAL 29 HG11 VAL 29 1.072 -1.301 7.972 192 1HG2 VAL 29 HG23 VAL 29 0.560 -0.443 4.542 193 2HG2 VAL 29 HG22 VAL 29 2.278 -0.830 4.621 194 3HG2 VAL 29 HG21 VAL 29 1.111 -1.815 5.502 195 H VAL 30 HN VAL 30 0.042 2.330 8.196 196 HA VAL 30 HA VAL 30 -2.727 1.717 7.488 197 HB VAL 30 HB VAL 30 -1.470 3.094 9.877 198 1HG1 VAL 30 HG12 VAL 30 -3.818 3.882 9.345 199 2HG1 VAL 30 HG11 VAL 30 -4.352 2.214 9.553 200 3HG1 VAL 30 HG13 VAL 30 -3.647 3.090 10.912 201 1HG2 VAL 30 HG23 VAL 30 -2.347 0.322 9.184 202 2HG2 VAL 30 HG22 VAL 30 -0.980 0.853 10.163 203 3HG2 VAL 30 HG21 VAL 30 -2.609 0.868 10.840 204 H VAL 31 HN VAL 31 -0.801 4.676 7.963 205 HA VAL 31 HA VAL 31 -2.838 6.585 7.654 206 HB VAL 31 HB VAL 31 0.066 6.624 6.803 207 1HG1 VAL 31 HG13 VAL 31 -1.967 8.877 6.799 208 2HG1 VAL 31 HG12 VAL 31 -0.230 9.089 6.586 209 3HG1 VAL 31 HG11 VAL 31 -1.163 8.198 5.384 210 1HG2 VAL 31 HG23 VAL 31 -1.541 7.582 9.170 211 2HG2 VAL 31 HG22 VAL 31 -0.068 6.612 9.157 212 3HG2 VAL 31 HG21 VAL 31 0.006 8.333 8.777 213 H ILE 32 HN ILE 32 -0.695 5.388 5.028 214 HA ILE 32 HA ILE 32 -2.212 6.595 2.956 215 HB ILE 32 HB ILE 32 -0.017 5.802 2.559 216 1HG1 ILE 32 HG12 ILE 32 -1.983 4.159 0.981 217 2HG1 ILE 32 HG11 ILE 32 -1.607 5.853 0.664 218 1HG2 ILE 32 HG23 ILE 32 -0.416 3.762 4.139 219 2HG2 ILE 32 HG22 ILE 32 -0.904 2.959 2.646 220 3HG2 ILE 32 HG21 ILE 32 0.728 3.611 2.805 221 1HD1 ILE 32 HD11 ILE 32 0.850 4.379 0.845 222 2HD1 ILE 32 HD13 ILE 32 -0.224 3.561 -0.290 223 3HD1 ILE 32 HD12 ILE 32 0.196 5.256 -0.538 224 H VAL 33 HN VAL 33 -2.289 3.222 4.163 225 HA VAL 33 HA VAL 33 -4.267 2.284 2.427 226 HB VAL 33 HB VAL 33 -3.880 1.742 5.389 227 1HG1 VAL 33 HG13 VAL 33 -5.838 0.617 3.399 228 2HG1 VAL 33 HG12 VAL 33 -5.239 -0.386 4.720 229 3HG1 VAL 33 HG11 VAL 33 -6.115 1.103 5.071 230 1HG2 VAL 33 HG22 VAL 33 -2.172 1.101 3.506 231 2HG2 VAL 33 HG21 VAL 33 -2.619 -0.113 4.704 232 3HG2 VAL 33 HG23 VAL 33 -3.354 -0.142 3.102 233 H GLY 34 HN GLY 34 -4.498 4.669 4.915 234 1HA GLY 34 HA2 GLY 34 -7.403 4.595 5.116 235 2HA GLY 34 HA1 GLY 34 -6.364 5.949 5.600 236 H ALA 35 HN ALA 35 -5.013 6.565 3.381 237 HA ALA 35 HA ALA 35 -6.870 8.038 1.789 238 1HB ALA 35 HB2 ALA 35 -3.951 7.489 1.750 239 2HB ALA 35 HB1 ALA 35 -4.667 7.992 0.219 240 3HB ALA 35 HB3 ALA 35 -4.809 9.026 1.641 241 H THR 36 HN THR 36 -4.908 5.087 0.882 242 HA THR 36 HA THR 36 -6.049 4.795 -1.701 243 HB THR 36 HB THR 36 -5.318 2.431 0.020 244 HG1 THR 36 HG1 THR 36 -3.640 4.402 -1.117 245 1HG2 THR 36 HG22 THR 36 -5.558 3.074 -2.851 246 2HG2 THR 36 HG21 THR 36 -4.120 2.151 -2.416 247 3HG2 THR 36 HG23 THR 36 -5.721 1.524 -2.026 248 H ILE 37 HN ILE 37 -6.983 2.988 1.252 249 HA ILE 37 HA ILE 37 -9.290 1.742 0.168 250 HB ILE 37 HB ILE 37 -8.814 2.652 3.013 251 1HG1 ILE 37 HG12 ILE 37 -7.045 1.176 1.937 252 2HG1 ILE 37 HG11 ILE 37 -7.820 0.486 3.364 253 1HG2 ILE 37 HG22 ILE 37 -10.750 0.706 1.744 254 2HG2 ILE 37 HG21 ILE 37 -10.327 0.625 3.455 255 3HG2 ILE 37 HG23 ILE 37 -11.114 2.064 2.807 256 1HD1 ILE 37 HD13 ILE 37 -8.937 -0.064 0.625 257 2HD1 ILE 37 HD12 ILE 37 -7.572 -1.002 1.231 258 3HD1 ILE 37 HD11 ILE 37 -9.106 -1.014 2.101 259 H GLY 38 HN GLY 38 -8.837 5.036 1.067 260 1HA GLY 38 HA2 GLY 38 -11.669 5.619 1.504 261 2HA GLY 38 HA1 GLY 38 -10.376 6.817 1.374 262 H ILE 39 HN ILE 39 -9.325 6.682 -0.944 263 HA ILE 39 HA ILE 39 -11.310 7.518 -2.825 264 HB ILE 39 HB ILE 39 -8.765 8.077 -2.716 265 1HG1 ILE 39 HG12 ILE 39 -9.449 7.334 -5.509 266 2HG1 ILE 39 HG11 ILE 39 -10.604 8.371 -4.669 267 1HG2 ILE 39 HG21 ILE 39 -8.229 5.547 -2.794 268 2HG2 ILE 39 HG23 ILE 39 -8.548 5.671 -4.524 269 3HG2 ILE 39 HG22 ILE 39 -7.252 6.620 -3.796 270 1HD1 ILE 39 HD13 ILE 39 -7.921 9.273 -4.124 271 2HD1 ILE 39 HD12 ILE 39 -8.160 9.145 -5.866 272 3HD1 ILE 39 HD11 ILE 39 -9.243 10.147 -4.898 273 H LYS 40 HN LYS 40 -10.306 4.448 -1.732 274 HA LYS 40 HA LYS 40 -10.768 2.998 -4.228 275 1HB LYS 40 HB2 LYS 40 -9.881 2.396 -1.549 276 2HB LYS 40 HB1 LYS 40 -11.151 1.267 -2.022 277 1HG LYS 40 HG2 LYS 40 -9.122 1.840 -4.104 278 2HG LYS 40 HG1 LYS 40 -8.540 0.944 -2.700 279 1HD LYS 40 HD2 LYS 40 -11.062 0.169 -4.174 280 2HD LYS 40 HD1 LYS 40 -9.477 -0.465 -4.619 281 1HE LYS 40 HE2 LYS 40 -10.503 -0.617 -1.785 282 2HE LYS 40 HE1 LYS 40 -10.868 -1.870 -2.971 283 1HZ LYS 40 HZ1 LYS 40 -8.114 -1.196 -3.017 284 2HZ LYS 40 HZ3 LYS 40 -8.586 -1.644 -1.453 285 3HZ LYS 40 HZ2 LYS 40 -8.845 -2.706 -2.752 286 H LEU 41 HN LEU 41 -12.572 2.858 -1.131 287 HA LEU 41 HA LEU 41 -14.927 1.734 -2.264 288 1HB LEU 41 HB2 LEU 41 -14.328 1.899 0.208 289 2HB LEU 41 HB1 LEU 41 -14.860 3.579 0.136 290 HG LEU 41 HG LEU 41 -16.824 1.857 -1.107 291 1HD1 LEU 41 HD12 LEU 41 -15.829 0.183 0.472 292 2HD1 LEU 41 HD11 LEU 41 -16.208 1.273 1.804 293 3HD1 LEU 41 HD13 LEU 41 -17.508 0.572 0.840 294 1HD2 LEU 41 HD22 LEU 41 -16.608 4.047 0.842 295 2HD2 LEU 41 HD21 LEU 41 -17.857 3.739 -0.364 296 3HD2 LEU 41 HD23 LEU 41 -17.920 2.923 1.198 297 H PHE 42 HN PHE 42 -14.016 5.120 -1.685 298 HA PHE 42 HA PHE 42 -16.471 6.300 -2.502 299 1HB PHE 42 HB2 PHE 42 -13.632 7.219 -2.297 300 2HB PHE 42 HB1 PHE 42 -14.766 8.224 -3.199 301 HD1 PHE 42 HD2 PHE 42 -16.024 6.108 -0.493 302 HD2 PHE 42 HD1 PHE 42 -14.564 10.023 -1.494 303 HE1 PHE 42 HE2 PHE 42 -16.939 6.993 1.635 304 HE2 PHE 42 HE1 PHE 42 -15.479 10.907 0.634 305 HZ PHE 42 HZ PHE 42 -16.667 9.392 2.198 306 H LYS 43 HN LYS 43 -13.443 5.939 -4.419 307 HA LYS 43 HA LYS 43 -14.814 6.589 -6.903 308 1HB LYS 43 HB2 LYS 43 -12.146 5.207 -6.496 309 2HB LYS 43 HB1 LYS 43 -12.714 5.955 -7.988 310 1HG LYS 43 HG2 LYS 43 -12.831 7.711 -5.626 311 2HG LYS 43 HG1 LYS 43 -11.210 7.231 -6.109 312 1HD LYS 43 HD2 LYS 43 -11.404 8.997 -7.543 313 2HD LYS 43 HD1 LYS 43 -12.255 7.812 -8.536 314 1HE LYS 43 HE2 LYS 43 -13.579 9.878 -8.324 315 2HE LYS 43 HE1 LYS 43 -14.402 8.525 -7.547 316 1HZ LYS 43 HZ1 LYS 43 -12.630 9.826 -5.745 317 2HZ LYS 43 HZ3 LYS 43 -13.740 10.932 -6.396 318 3HZ LYS 43 HZ2 LYS 43 -14.299 9.541 -5.595 319 H LYS 44 HN LYS 44 -15.129 3.891 -5.034 320 HA LYS 44 HA LYS 44 -14.879 1.778 -6.970 321 1HB LYS 44 HB2 LYS 44 -15.617 2.013 -4.226 322 2HB LYS 44 HB1 LYS 44 -16.923 1.165 -5.055 323 1HG LYS 44 HG2 LYS 44 -15.285 -0.410 -6.026 324 2HG LYS 44 HG1 LYS 44 -13.983 0.431 -5.185 325 1HD LYS 44 HD2 LYS 44 -14.546 -1.454 -3.820 326 2HD LYS 44 HD1 LYS 44 -15.240 -0.043 -3.021 327 1HE LYS 44 HE2 LYS 44 -17.216 -0.876 -4.820 328 2HE LYS 44 HE1 LYS 44 -16.586 -2.369 -4.126 329 1HZ LYS 44 HZ1 LYS 44 -17.445 -0.012 -2.540 330 2HZ LYS 44 HZ3 LYS 44 -18.405 -1.382 -2.819 331 3HZ LYS 44 HZ2 LYS 44 -16.963 -1.524 -1.932 332 H PHE 45 HN PHE 45 -17.160 4.289 -6.536 333 HA PHE 45 HA PHE 45 -19.063 2.862 -8.362 334 1HB PHE 45 HB2 PHE 45 -20.891 3.974 -7.338 335 2HB PHE 45 HB1 PHE 45 -19.870 3.495 -5.985 336 HD1 PHE 45 HD2 PHE 45 -20.973 6.327 -8.093 337 HD2 PHE 45 HD1 PHE 45 -18.641 5.140 -4.685 338 HE1 PHE 45 HE2 PHE 45 -20.783 8.701 -7.396 339 HE2 PHE 45 HE1 PHE 45 -18.452 7.514 -3.988 340 HZ PHE 45 HZ PHE 45 -19.523 9.293 -5.344 341 H THR 46 HN THR 46 -17.525 5.958 -7.606 342 HA THR 46 HA THR 46 -18.630 7.386 -9.746 343 HB THR 46 HB THR 46 -16.136 7.806 -8.116 344 HG1 THR 46 HG1 THR 46 -17.394 9.298 -7.092 345 1HG2 THR 46 HG22 THR 46 -15.864 8.812 -10.358 346 2HG2 THR 46 HG21 THR 46 -17.395 9.663 -10.153 347 3HG2 THR 46 HG23 THR 46 -16.026 10.049 -9.111 348 H SER 47 HN SER 47 -16.045 5.124 -9.484 349 HA SER 47 HA SER 47 -15.005 5.865 -12.172 350 1HB SER 47 HB2 SER 47 -13.953 3.681 -10.377 351 2HB SER 47 HB1 SER 47 -13.109 4.521 -11.675 352 HG SER 47 HG SER 47 -12.997 6.326 -10.427 353 H LYS 48 HN LYS 48 -14.098 3.139 -12.736 354 HA LYS 48 HA LYS 48 -16.637 2.114 -13.841 355 1HB LYS 48 HB2 LYS 48 -15.145 0.522 -15.059 356 2HB LYS 48 HB1 LYS 48 -14.712 2.208 -15.340 357 1HG LYS 48 HG2 LYS 48 -12.864 2.087 -13.833 358 2HG LYS 48 HG1 LYS 48 -13.408 0.542 -13.182 359 1HD LYS 48 HD2 LYS 48 -12.861 0.716 -16.117 360 2HD LYS 48 HD1 LYS 48 -11.485 0.648 -15.015 361 1HE LYS 48 HE2 LYS 48 -12.452 -1.393 -13.972 362 2HE LYS 48 HE1 LYS 48 -13.768 -1.343 -15.145 363 1HZ LYS 48 HZ3 LYS 48 -11.619 -1.173 -16.732 364 2HZ LYS 48 HZ2 LYS 48 -11.015 -2.161 -15.488 365 3HZ LYS 48 HZ1 LYS 48 -12.405 -2.626 -16.349 366 H ALA 49 HN ALA 49 -14.445 1.442 -11.249 367 HA ALA 49 HA ALA 49 -14.702 -1.287 -10.800 368 1HB ALA 49 HB1 ALA 49 -13.975 0.968 -9.258 369 2HB ALA 49 HB3 ALA 49 -15.184 0.098 -8.314 370 3HB ALA 49 HB2 ALA 49 -13.723 -0.729 -8.851 371 H SER 50 HN SER 50 -17.147 1.218 -10.336 372 HA SER 50 HA SER 50 -19.068 -0.078 -8.798 373 1HB SER 50 HB2 SER 50 -20.567 1.460 -9.630 374 2HB SER 50 HB1 SER 50 -19.082 2.212 -10.203 375 HG SER 50 HG SER 50 -20.922 0.579 -11.605 No H/Q in entry = 375 Start of MODEL 3 1 1H ALA 1 HT3 ALA 1 -0.680 18.362 -1.861 2 2H ALA 1 HT2 ALA 1 -0.813 17.642 -0.327 3 3H ALA 1 HT1 ALA 1 -0.085 16.795 -1.608 4 HA ALA 1 HA ALA 1 -2.277 15.926 -1.290 5 1HB ALA 1 HB3 ALA 1 -2.891 18.436 -0.420 6 2HB ALA 1 HB2 ALA 1 -3.600 18.467 -2.035 7 3HB ALA 1 HB1 ALA 1 -4.099 17.236 -0.875 8 H GLU 2 HN GLU 2 -1.010 15.237 -3.290 9 HA GLU 2 HA GLU 2 -1.912 16.612 -5.765 10 1HB GLU 2 HB2 GLU 2 0.538 15.719 -5.176 11 2HB GLU 2 HB1 GLU 2 -0.121 14.223 -5.841 12 1HG GLU 2 HG2 GLU 2 -0.546 15.202 -7.947 13 2HG GLU 2 HG1 GLU 2 -0.434 16.841 -7.302 14 H GLY 3 HN GLY 3 -4.156 15.779 -5.345 15 1HA GLY 3 HA2 GLY 3 -5.729 14.330 -6.470 16 2HA GLY 3 HA1 GLY 3 -4.460 13.111 -6.613 17 H ASP 4 HN ASP 4 -6.684 14.645 -4.324 18 HA ASP 4 HA ASP 4 -7.010 12.119 -2.908 19 1HB ASP 4 HB2 ASP 4 -4.844 13.291 -2.017 20 2HB ASP 4 HB1 ASP 4 -5.976 14.377 -1.210 21 H ASP 5 HN ASP 5 -8.865 12.172 -1.549 22 HA ASP 5 HA ASP 5 -10.354 14.763 -1.522 23 1HB ASP 5 HB2 ASP 5 -11.204 12.081 -2.529 24 2HB ASP 5 HB1 ASP 5 -12.407 13.055 -1.682 25 HA PRO 6 HA PRO 6 -11.049 13.825 2.710 26 1HB PRO 6 HB2 PRO 6 -13.365 15.243 3.122 27 2HB PRO 6 HB1 PRO 6 -11.773 16.001 2.937 28 1HG PRO 6 HG2 PRO 6 -14.032 15.899 0.986 29 2HG PRO 6 HG1 PRO 6 -12.713 17.076 1.112 30 1HD PRO 6 HD2 PRO 6 -12.874 14.925 -0.751 31 2HD PRO 6 HD1 PRO 6 -11.454 15.946 -0.440 32 H ALA 7 HN ALA 7 -12.032 11.724 0.963 33 HA ALA 7 HA ALA 7 -14.162 10.663 2.688 34 1HB ALA 7 HB2 ALA 7 -14.931 11.964 0.379 35 2HB ALA 7 HB1 ALA 7 -14.822 10.286 -0.151 36 3HB ALA 7 HB3 ALA 7 -15.874 10.718 1.197 37 H LYS 8 HN LYS 8 -12.917 9.876 -0.569 38 HA LYS 8 HA LYS 8 -12.755 7.105 -0.247 39 1HB LYS 8 HB2 LYS 8 -10.808 7.274 -1.911 40 2HB LYS 8 HB1 LYS 8 -12.337 7.998 -2.415 41 1HG LYS 8 HG2 LYS 8 -11.457 10.080 -2.453 42 2HG LYS 8 HG1 LYS 8 -10.669 9.855 -0.890 43 1HD LYS 8 HD2 LYS 8 -9.529 8.365 -3.205 44 2HD LYS 8 HD1 LYS 8 -9.267 10.109 -3.164 45 1HE LYS 8 HE2 LYS 8 -8.514 9.770 -0.728 46 2HE LYS 8 HE1 LYS 8 -8.439 8.051 -1.115 47 1HZ LYS 8 HZ2 LYS 8 -7.102 10.068 -2.807 48 2HZ LYS 8 HZ1 LYS 8 -6.339 9.430 -1.430 49 3HZ LYS 8 HZ3 LYS 8 -6.794 8.401 -2.698 50 H ALA 9 HN ALA 9 -10.753 9.574 1.161 51 HA ALA 9 HA ALA 9 -8.381 8.144 1.699 52 1HB ALA 9 HB3 ALA 9 -9.831 10.205 3.385 53 2HB ALA 9 HB2 ALA 9 -8.196 9.635 3.718 54 3HB ALA 9 HB1 ALA 9 -8.538 10.506 2.224 55 H ALA 10 HN ALA 10 -10.662 8.755 4.356 56 HA ALA 10 HA ALA 10 -9.887 6.520 5.881 57 1HB ALA 10 HB1 ALA 10 -12.081 8.441 5.913 58 2HB ALA 10 HB3 ALA 10 -12.584 6.850 6.482 59 3HB ALA 10 HB2 ALA 10 -11.238 7.681 7.262 60 H PHE 11 HN PHE 11 -12.008 6.677 3.108 61 HA PHE 11 HA PHE 11 -13.532 4.350 3.485 62 1HB PHE 11 HB2 PHE 11 -12.847 6.035 1.284 63 2HB PHE 11 HB1 PHE 11 -12.625 4.358 0.775 64 HD1 PHE 11 HD1 PHE 11 -14.590 2.887 2.307 65 HD2 PHE 11 HD2 PHE 11 -14.932 6.748 0.461 66 HE1 PHE 11 HE1 PHE 11 -17.046 2.601 2.176 67 HE2 PHE 11 HE2 PHE 11 -17.391 6.462 0.326 68 HZ PHE 11 HZ PHE 11 -18.450 4.389 1.182 69 H ASP 12 HN ASP 12 -10.298 4.575 1.961 70 HA ASP 12 HA ASP 12 -9.968 1.706 1.836 71 1HB ASP 12 HB2 ASP 12 -8.719 3.593 0.523 72 2HB ASP 12 HB1 ASP 12 -7.663 3.640 1.935 73 H SER 13 HN SER 13 -9.147 4.196 4.209 74 HA SER 13 HA SER 13 -7.481 2.498 5.851 75 1HB SER 13 HB2 SER 13 -9.089 4.914 6.717 76 2HB SER 13 HB1 SER 13 -7.680 4.238 7.530 77 HG SER 13 HG SER 13 -7.582 5.069 4.831 78 H LEU 14 HN LEU 14 -10.606 3.866 6.920 79 HA LEU 14 HA LEU 14 -11.256 2.076 8.892 80 1HB LEU 14 HB2 LEU 14 -13.579 2.602 8.518 81 2HB LEU 14 HB1 LEU 14 -12.654 4.042 8.091 82 HG LEU 14 HG LEU 14 -12.634 2.911 5.698 83 1HD1 LEU 14 HD12 LEU 14 -14.510 1.304 7.239 84 2HD1 LEU 14 HD11 LEU 14 -15.298 2.051 5.849 85 3HD1 LEU 14 HD13 LEU 14 -13.880 1.029 5.615 86 1HD2 LEU 14 HD23 LEU 14 -14.588 4.657 7.096 87 2HD2 LEU 14 HD22 LEU 14 -13.640 4.969 5.641 88 3HD2 LEU 14 HD21 LEU 14 -15.114 4.006 5.544 89 H GLN 15 HN GLN 15 -11.417 1.501 5.405 90 HA GLN 15 HA GLN 15 -12.895 -0.949 5.507 91 1HB GLN 15 HB2 GLN 15 -11.159 0.439 3.544 92 2HB GLN 15 HB1 GLN 15 -11.294 -1.309 3.344 93 1HG GLN 15 HG2 GLN 15 -13.766 0.346 3.790 94 2HG GLN 15 HG1 GLN 15 -13.056 0.235 2.179 95 1HE2 GLN 15 HE22 GLN 15 -15.392 -2.746 3.364 96 2HE2 GLN 15 HE21 GLN 15 -15.415 -1.175 4.011 97 H ALA 16 HN ALA 16 -9.357 -0.374 5.388 98 HA ALA 16 HA ALA 16 -8.791 -3.170 5.836 99 1HB ALA 16 HB3 ALA 16 -7.202 -1.736 4.618 100 2HB ALA 16 HB2 ALA 16 -6.974 -0.772 6.077 101 3HB ALA 16 HB1 ALA 16 -6.443 -2.453 6.039 102 H SER 17 HN SER 17 -9.998 -0.920 7.823 103 HA SER 17 HA SER 17 -8.481 -1.579 10.243 104 1HB SER 17 HB2 SER 17 -10.504 0.371 9.466 105 2HB SER 17 HB1 SER 17 -10.862 -0.353 11.030 106 HG SER 17 HG SER 17 -9.385 1.555 10.931 107 H ALA 18 HN ALA 18 -9.474 -3.934 9.065 108 HA ALA 18 HA ALA 18 -11.032 -5.732 9.426 109 1HB ALA 18 HB1 ALA 18 -9.381 -5.765 11.319 110 2HB ALA 18 HB3 ALA 18 -10.606 -4.951 12.287 111 3HB ALA 18 HB2 ALA 18 -10.923 -6.559 11.639 112 H THR 19 HN THR 19 -12.404 -3.202 9.023 113 HA THR 19 HA THR 19 -14.602 -3.254 10.994 114 HB THR 19 HB THR 19 -13.794 -1.089 10.038 115 HG1 THR 19 HG1 THR 19 -16.174 -1.807 10.505 116 1HG2 THR 19 HG22 THR 19 -13.308 -2.067 7.765 117 2HG2 THR 19 HG21 THR 19 -15.046 -2.071 7.465 118 3HG2 THR 19 HG23 THR 19 -14.200 -0.546 7.726 119 H GLU 20 HN GLU 20 -13.845 -5.394 8.838 120 HA GLU 20 HA GLU 20 -16.455 -6.360 8.353 121 1HB GLU 20 HB2 GLU 20 -16.251 -4.344 6.749 122 2HB GLU 20 HB1 GLU 20 -15.168 -5.401 5.841 123 1HG GLU 20 HG2 GLU 20 -17.390 -5.664 4.930 124 2HG GLU 20 HG1 GLU 20 -16.994 -7.131 5.824 125 H TYR 21 HN TYR 21 -13.593 -6.215 6.493 126 HA TYR 21 HA TYR 21 -13.052 -9.069 6.968 127 1HB TYR 21 HB2 TYR 21 -12.141 -8.398 4.407 128 2HB TYR 21 HB1 TYR 21 -13.428 -9.524 4.784 129 HD1 TYR 21 HD2 TYR 21 -12.623 -5.969 4.071 130 HD2 TYR 21 HD1 TYR 21 -15.700 -8.953 4.307 131 HE1 TYR 21 HE2 TYR 21 -14.215 -4.403 3.010 132 HE2 TYR 21 HE1 TYR 21 -17.295 -7.385 3.242 133 HH TYR 21 HH TYR 21 -17.520 -4.849 3.032 134 H ILE 22 HN ILE 22 -12.062 -6.088 7.542 135 HA ILE 22 HA ILE 22 -10.018 -5.220 8.122 136 HB ILE 22 HB ILE 22 -8.273 -6.597 8.670 137 1HG1 ILE 22 HG12 ILE 22 -8.609 -7.553 5.893 138 2HG1 ILE 22 HG11 ILE 22 -7.141 -7.346 6.825 139 1HG2 ILE 22 HG23 ILE 22 -10.615 -7.664 9.235 140 2HG2 ILE 22 HG22 ILE 22 -10.106 -8.904 8.091 141 3HG2 ILE 22 HG21 ILE 22 -9.135 -8.577 9.527 142 1HD1 ILE 22 HD13 ILE 22 -9.051 -9.683 7.150 143 2HD1 ILE 22 HD12 ILE 22 -7.582 -9.733 6.178 144 3HD1 ILE 22 HD11 ILE 22 -7.477 -9.495 7.921 145 H GLY 23 HN GLY 23 -11.263 -5.311 5.324 146 1HA GLY 23 HA2 GLY 23 -10.617 -4.637 3.133 147 2HA GLY 23 HA1 GLY 23 -9.596 -3.496 4.020 148 H TYR 24 HN TYR 24 -9.287 -6.904 4.356 149 HA TYR 24 HA TYR 24 -7.301 -8.142 4.311 150 1HB TYR 24 HB2 TYR 24 -8.637 -8.005 1.884 151 2HB TYR 24 HB1 TYR 24 -6.931 -7.783 1.465 152 HD1 TYR 24 HD1 TYR 24 -9.244 -9.905 3.486 153 HD2 TYR 24 HD2 TYR 24 -5.430 -9.566 1.554 154 HE1 TYR 24 HE1 TYR 24 -8.763 -12.276 4.008 155 HE2 TYR 24 HE2 TYR 24 -4.948 -11.936 2.064 156 HH TYR 24 HH TYR 24 -5.779 -13.622 3.906 157 H ALA 25 HN ALA 25 -6.668 -5.527 5.017 158 HA ALA 25 HA ALA 25 -4.016 -5.228 3.704 159 1HB ALA 25 HB3 ALA 25 -6.124 -3.252 4.204 160 2HB ALA 25 HB2 ALA 25 -4.574 -2.778 4.902 161 3HB ALA 25 HB1 ALA 25 -4.695 -3.126 3.177 162 H TRP 26 HN TRP 26 -5.676 -6.154 6.425 163 HA TRP 26 HA TRP 26 -4.174 -4.974 8.526 164 1HB TRP 26 HB2 TRP 26 -5.393 -6.373 9.902 165 2HB TRP 26 HB1 TRP 26 -6.395 -6.463 8.457 166 HD1 TRP 26 HD1 TRP 26 -4.854 -8.615 10.896 167 HE1 TRP 26 HE1 TRP 26 -4.616 -11.021 10.071 168 HE3 TRP 26 HE3 TRP 26 -5.578 -7.943 5.853 169 HZ2 TRP 26 HZ2 TRP 26 -4.695 -12.488 7.637 170 HZ3 TRP 26 HZ3 TRP 26 -5.481 -9.882 4.324 171 HH2 TRP 26 HH2 TRP 26 -5.038 -12.151 5.211 172 H ALA 27 HN ALA 27 -3.490 -7.644 6.387 173 HA ALA 27 HA ALA 27 -0.893 -7.961 7.781 174 1HB ALA 27 HB1 ALA 27 -2.433 -9.840 8.358 175 2HB ALA 27 HB3 ALA 27 -2.539 -10.230 6.641 176 3HB ALA 27 HB2 ALA 27 -0.997 -10.374 7.484 177 H MET 28 HN MET 28 -2.517 -9.216 4.864 178 HA MET 28 HA MET 28 -0.347 -9.519 3.252 179 1HB MET 28 HB2 MET 28 -3.184 -9.245 2.873 180 2HB MET 28 HB1 MET 28 -2.320 -8.424 1.572 181 1HG MET 28 HG2 MET 28 -1.037 -10.943 2.148 182 2HG MET 28 HG1 MET 28 -2.755 -11.205 1.846 183 1HE MET 28 HE1 MET 28 -0.101 -12.107 0.229 184 2HE MET 28 HE3 MET 28 -1.708 -12.694 -0.224 185 3HE MET 28 HE2 MET 28 -0.645 -11.996 -1.443 186 H VAL 29 HN VAL 29 -1.711 -6.510 4.358 187 HA VAL 29 HA VAL 29 -0.684 -4.819 2.267 188 HB VAL 29 HB VAL 29 -2.391 -4.345 4.230 189 1HG1 VAL 29 HG11 VAL 29 -0.724 -4.695 6.040 190 2HG1 VAL 29 HG13 VAL 29 0.239 -3.361 5.403 191 3HG1 VAL 29 HG12 VAL 29 -1.367 -3.053 6.066 192 1HG2 VAL 29 HG21 VAL 29 -0.863 -2.753 2.430 193 2HG2 VAL 29 HG23 VAL 29 -2.425 -2.368 3.153 194 3HG2 VAL 29 HG22 VAL 29 -0.935 -1.879 3.960 195 H VAL 30 HN VAL 30 0.700 -5.800 5.411 196 HA VAL 30 HA VAL 30 3.138 -4.274 4.996 197 HB VAL 30 HB VAL 30 3.000 -6.631 6.849 198 1HG1 VAL 30 HG12 VAL 30 4.597 -4.245 6.466 199 2HG1 VAL 30 HG11 VAL 30 3.921 -4.277 8.094 200 3HG1 VAL 30 HG13 VAL 30 4.902 -5.626 7.521 201 1HG2 VAL 30 HG21 VAL 30 1.167 -4.328 6.813 202 2HG2 VAL 30 HG23 VAL 30 1.038 -5.853 7.690 203 3HG2 VAL 30 HG22 VAL 30 2.009 -4.536 8.349 204 H VAL 31 HN VAL 31 2.260 -7.722 4.713 205 HA VAL 31 HA VAL 31 4.744 -8.823 4.087 206 HB VAL 31 HB VAL 31 1.978 -9.428 3.025 207 1HG1 VAL 31 HG12 VAL 31 4.580 -10.364 2.029 208 2HG1 VAL 31 HG11 VAL 31 3.502 -11.674 2.508 209 3HG1 VAL 31 HG13 VAL 31 2.982 -10.503 1.297 210 1HG2 VAL 31 HG23 VAL 31 3.825 -10.488 5.139 211 2HG2 VAL 31 HG22 VAL 31 2.095 -10.161 5.231 212 3HG2 VAL 31 HG21 VAL 31 2.677 -11.593 4.383 213 H ILE 32 HN ILE 32 2.434 -7.418 1.720 214 HA ILE 32 HA ILE 32 4.192 -7.628 -0.493 215 HB ILE 32 HB ILE 32 1.902 -7.177 -0.824 216 1HG1 ILE 32 HG12 ILE 32 2.588 -4.594 -1.816 217 2HG1 ILE 32 HG11 ILE 32 3.984 -5.659 -1.979 218 1HG2 ILE 32 HG22 ILE 32 1.899 -5.681 1.354 219 2HG2 ILE 32 HG21 ILE 32 2.083 -4.393 0.168 220 3HG2 ILE 32 HG23 ILE 32 0.681 -5.460 0.101 221 1HD1 ILE 32 HD11 ILE 32 1.392 -6.860 -2.749 222 2HD1 ILE 32 HD13 ILE 32 1.953 -5.552 -3.789 223 3HD1 ILE 32 HD12 ILE 32 2.965 -6.974 -3.538 224 H VAL 33 HN VAL 33 3.559 -4.805 1.641 225 HA VAL 33 HA VAL 33 5.344 -3.028 0.451 226 HB VAL 33 HB VAL 33 5.008 -3.498 3.440 227 1HG1 VAL 33 HG12 VAL 33 6.516 -1.542 1.837 228 2HG1 VAL 33 HG11 VAL 33 5.460 -0.816 3.048 229 3HG1 VAL 33 HG13 VAL 33 6.692 -1.979 3.536 230 1HG2 VAL 33 HG23 VAL 33 3.089 -2.765 1.575 231 2HG2 VAL 33 HG22 VAL 33 3.013 -2.431 3.304 232 3HG2 VAL 33 HG21 VAL 33 3.651 -1.214 2.199 233 H GLY 34 HN GLY 34 6.031 -5.991 2.101 234 1HA GLY 34 HA2 GLY 34 8.852 -5.435 2.536 235 2HA GLY 34 HA1 GLY 34 8.110 -7.045 2.482 236 H ALA 35 HN ALA 35 6.977 -7.233 0.103 237 HA ALA 35 HA ALA 35 9.132 -7.659 -1.723 238 1HB ALA 35 HB2 ALA 35 6.140 -7.475 -2.151 239 2HB ALA 35 HB1 ALA 35 7.276 -7.948 -3.416 240 3HB ALA 35 HB3 ALA 35 7.107 -8.938 -1.966 241 H THR 36 HN THR 36 6.558 -5.061 -1.784 242 HA THR 36 HA THR 36 7.549 -3.706 -4.055 243 HB THR 36 HB THR 36 6.509 -2.097 -1.760 244 HG1 THR 36 HG1 THR 36 4.662 -3.120 -1.704 245 1HG2 THR 36 HG21 THR 36 6.484 -2.093 -4.710 246 2HG2 THR 36 HG23 THR 36 4.956 -1.629 -3.960 247 3HG2 THR 36 HG22 THR 36 6.432 -0.739 -3.580 248 H ILE 37 HN ILE 37 8.155 -2.754 -0.655 249 HA ILE 37 HA ILE 37 10.173 -0.852 -1.167 250 HB ILE 37 HB ILE 37 9.888 -2.744 1.176 251 1HG1 ILE 37 HG12 ILE 37 9.077 0.165 0.869 252 2HG1 ILE 37 HG11 ILE 37 7.966 -1.192 0.679 253 1HG2 ILE 37 HG22 ILE 37 12.177 -1.737 0.938 254 2HG2 ILE 37 HG21 ILE 37 11.434 -0.139 0.997 255 3HG2 ILE 37 HG23 ILE 37 11.333 -1.211 2.394 256 1HD1 ILE 37 HD11 ILE 37 8.476 -1.928 2.985 257 2HD1 ILE 37 HD13 ILE 37 9.565 -0.554 3.176 258 3HD1 ILE 37 HD12 ILE 37 7.835 -0.285 2.964 259 H GLY 38 HN GLY 38 10.326 -4.270 -1.458 260 1HA GLY 38 HA2 GLY 38 13.205 -4.538 -1.158 261 2HA GLY 38 HA1 GLY 38 12.120 -5.759 -1.835 262 H ILE 39 HN ILE 39 11.026 -4.775 -3.968 263 HA ILE 39 HA ILE 39 13.183 -4.467 -5.854 264 HB ILE 39 HB ILE 39 10.854 -5.543 -6.239 265 1HG1 ILE 39 HG12 ILE 39 10.824 -4.721 -8.622 266 2HG1 ILE 39 HG11 ILE 39 12.045 -3.532 -8.168 267 1HG2 ILE 39 HG23 ILE 39 9.925 -3.104 -5.442 268 2HG2 ILE 39 HG22 ILE 39 9.896 -2.911 -7.195 269 3HG2 ILE 39 HG21 ILE 39 9.001 -4.229 -6.438 270 1HD1 ILE 39 HD13 ILE 39 12.351 -6.528 -7.818 271 2HD1 ILE 39 HD12 ILE 39 13.041 -5.601 -9.149 272 3HD1 ILE 39 HD11 ILE 39 13.581 -5.305 -7.496 273 H LYS 40 HN LYS 40 11.672 -2.351 -3.704 274 HA LYS 40 HA LYS 40 11.683 0.017 -5.442 275 1HB LYS 40 HB2 LYS 40 10.393 -0.548 -3.133 276 2HB LYS 40 HB1 LYS 40 11.777 0.335 -2.486 277 1HG LYS 40 HG2 LYS 40 10.315 1.463 -4.850 278 2HG LYS 40 HG1 LYS 40 9.611 1.644 -3.243 279 1HD LYS 40 HD2 LYS 40 12.139 2.369 -2.676 280 2HD LYS 40 HD1 LYS 40 12.085 2.850 -4.373 281 1HE LYS 40 HE2 LYS 40 9.988 3.646 -2.339 282 2HE LYS 40 HE1 LYS 40 11.367 4.658 -2.769 283 1HZ LYS 40 HZ2 LYS 40 10.589 4.385 -5.140 284 2HZ LYS 40 HZ1 LYS 40 9.139 3.772 -4.501 285 3HZ LYS 40 HZ3 LYS 40 9.620 5.357 -4.138 286 H LEU 41 HN LEU 41 13.482 -0.542 -2.402 287 HA LEU 41 HA LEU 41 15.561 1.317 -3.105 288 1HB LEU 41 HB2 LEU 41 14.908 0.490 -0.765 289 2HB LEU 41 HB1 LEU 41 15.838 -0.962 -1.137 290 HG LEU 41 HG LEU 41 17.768 0.627 -1.740 291 1HD1 LEU 41 HD12 LEU 41 15.710 2.516 -1.143 292 2HD1 LEU 41 HD11 LEU 41 16.967 2.681 0.083 293 3HD1 LEU 41 HD13 LEU 41 17.376 2.839 -1.625 294 1HD2 LEU 41 HD21 LEU 41 16.721 0.413 1.101 295 2HD2 LEU 41 HD23 LEU 41 17.823 -0.703 0.294 296 3HD2 LEU 41 HD22 LEU 41 18.356 0.931 0.691 297 H PHE 42 HN PHE 42 15.031 -2.044 -3.813 298 HA PHE 42 HA PHE 42 17.824 -2.603 -4.475 299 1HB PHE 42 HB2 PHE 42 16.237 -4.372 -3.705 300 2HB PHE 42 HB1 PHE 42 15.328 -4.163 -5.202 301 HD1 PHE 42 HD1 PHE 42 18.848 -4.737 -4.033 302 HD2 PHE 42 HD2 PHE 42 15.871 -5.501 -7.032 303 HE1 PHE 42 HE1 PHE 42 20.415 -6.264 -5.200 304 HE2 PHE 42 HE2 PHE 42 17.438 -7.028 -8.199 305 HZ PHE 42 HZ PHE 42 19.710 -7.410 -7.283 306 H LYS 43 HN LYS 43 14.818 -2.176 -6.384 307 HA LYS 43 HA LYS 43 16.237 -2.245 -8.911 308 1HB LYS 43 HB2 LYS 43 13.671 -2.628 -8.304 309 2HB LYS 43 HB1 LYS 43 13.577 -0.907 -8.678 310 1HG LYS 43 HG2 LYS 43 13.470 -1.494 -10.854 311 2HG LYS 43 HG1 LYS 43 15.161 -1.978 -10.718 312 1HD LYS 43 HD2 LYS 43 14.121 -4.190 -9.710 313 2HD LYS 43 HD1 LYS 43 12.693 -3.674 -10.608 314 1HE LYS 43 HE2 LYS 43 13.832 -3.745 -12.682 315 2HE LYS 43 HE1 LYS 43 15.415 -3.779 -11.904 316 1HZ LYS 43 HZ1 LYS 43 13.446 -5.937 -11.475 317 2HZ LYS 43 HZ3 LYS 43 14.490 -5.956 -12.811 318 3HZ LYS 43 HZ2 LYS 43 15.128 -5.971 -11.235 319 H LYS 44 HN LYS 44 15.968 0.140 -6.514 320 HA LYS 44 HA LYS 44 15.871 2.491 -8.183 321 1HB LYS 44 HB2 LYS 44 15.400 2.629 -5.778 322 2HB LYS 44 HB1 LYS 44 17.042 2.100 -5.411 323 1HG LYS 44 HG2 LYS 44 17.975 4.125 -5.986 324 2HG LYS 44 HG1 LYS 44 16.746 4.462 -7.206 325 1HD LYS 44 HD2 LYS 44 15.352 4.378 -4.767 326 2HD LYS 44 HD1 LYS 44 16.828 5.284 -4.427 327 1HE LYS 44 HE2 LYS 44 16.364 6.881 -6.129 328 2HE LYS 44 HE1 LYS 44 15.117 5.864 -6.850 329 1HZ LYS 44 HZ2 LYS 44 14.131 6.107 -4.420 330 2HZ LYS 44 HZ1 LYS 44 14.990 7.571 -4.491 331 3HZ LYS 44 HZ3 LYS 44 13.801 7.232 -5.649 332 H PHE 45 HN PHE 45 18.364 0.241 -7.303 333 HA PHE 45 HA PHE 45 20.506 2.040 -8.278 334 1HB PHE 45 HB2 PHE 45 20.523 0.196 -6.294 335 2HB PHE 45 HB1 PHE 45 21.090 -0.803 -7.633 336 HD1 PHE 45 HD2 PHE 45 22.687 0.911 -9.281 337 HD2 PHE 45 HD1 PHE 45 22.337 0.881 -4.999 338 HE1 PHE 45 HE2 PHE 45 24.939 1.932 -9.088 339 HE2 PHE 45 HE1 PHE 45 24.589 1.901 -4.808 340 HZ PHE 45 HZ PHE 45 25.890 2.427 -6.852 341 H THR 46 HN THR 46 19.069 -1.108 -9.105 342 HA THR 46 HA THR 46 20.591 -1.503 -11.422 343 HB THR 46 HB THR 46 17.846 -2.634 -11.185 344 HG1 THR 46 HG1 THR 46 18.275 -3.530 -9.353 345 1HG2 THR 46 HG22 THR 46 20.051 -3.120 -12.790 346 2HG2 THR 46 HG21 THR 46 20.139 -4.405 -11.584 347 3HG2 THR 46 HG23 THR 46 18.685 -4.213 -12.565 348 H SER 47 HN SER 47 17.947 0.513 -10.697 349 HA SER 47 HA SER 47 17.366 0.889 -13.608 350 1HB SER 47 HB2 SER 47 15.687 1.875 -11.301 351 2HB SER 47 HB1 SER 47 15.215 1.719 -12.990 352 HG SER 47 HG SER 47 15.789 -0.618 -12.589 353 H LYS 48 HN LYS 48 17.415 2.891 -10.625 354 HA LYS 48 HA LYS 48 18.002 5.286 -12.191 355 1HB LYS 48 HB2 LYS 48 17.293 4.644 -9.422 356 2HB LYS 48 HB1 LYS 48 18.504 5.922 -9.541 357 1HG LYS 48 HG2 LYS 48 16.016 5.950 -11.249 358 2HG LYS 48 HG1 LYS 48 16.027 6.641 -9.625 359 1HD LYS 48 HD2 LYS 48 16.979 8.512 -10.428 360 2HD LYS 48 HD1 LYS 48 18.363 7.567 -10.977 361 1HE LYS 48 HE2 LYS 48 17.685 8.305 -13.034 362 2HE LYS 48 HE1 LYS 48 16.583 6.933 -12.914 363 1HZ LYS 48 HZ3 LYS 48 15.548 9.223 -11.580 364 2HZ LYS 48 HZ2 LYS 48 15.890 9.572 -13.207 365 3HZ LYS 48 HZ1 LYS 48 14.849 8.290 -12.809 366 H ALA 49 HN ALA 49 19.884 2.742 -11.030 367 HA ALA 49 HA ALA 49 22.199 2.519 -10.618 368 1HB ALA 49 HB1 ALA 49 21.882 3.279 -13.119 369 2HB ALA 49 HB3 ALA 49 22.600 4.786 -12.550 370 3HB ALA 49 HB2 ALA 49 23.496 3.273 -12.409 371 H SER 50 HN SER 50 20.975 4.159 -8.702 372 HA SER 50 HA SER 50 22.987 6.344 -8.341 373 1HB SER 50 HB2 SER 50 20.111 6.075 -7.503 374 2HB SER 50 HB1 SER 50 21.194 7.143 -6.616 375 HG SER 50 HG SER 50 20.780 7.185 -9.431 No H/Q in entry = 375 Start of MODEL 4 1 1H ALA 1 HT2 ALA 1 -2.973 -1.037 -9.393 2 2H ALA 1 HT1 ALA 1 -3.319 -0.135 -7.995 3 3H ALA 1 HT3 ALA 1 -1.992 0.282 -8.964 4 HA ALA 1 HA ALA 1 -1.050 -0.826 -7.157 5 1HB ALA 1 HB2 ALA 1 -3.543 -2.417 -7.389 6 2HB ALA 1 HB1 ALA 1 -2.109 -3.310 -6.882 7 3HB ALA 1 HB3 ALA 1 -2.657 -1.917 -5.949 8 H GLU 2 HN GLU 2 0.848 -1.489 -8.017 9 HA GLU 2 HA GLU 2 2.381 -2.631 -9.375 10 1HB GLU 2 HB2 GLU 2 0.653 -4.521 -8.312 11 2HB GLU 2 HB1 GLU 2 0.604 -4.863 -10.044 12 1HG GLU 2 HG2 GLU 2 3.319 -4.327 -9.302 13 2HG GLU 2 HG1 GLU 2 2.661 -5.528 -8.191 14 H GLY 3 HN GLY 3 2.387 -3.891 -11.669 15 1HA GLY 3 HA2 GLY 3 0.968 -3.957 -13.797 16 2HA GLY 3 HA1 GLY 3 0.643 -2.255 -13.466 17 H ASP 4 HN ASP 4 3.463 -1.902 -12.461 18 HA ASP 4 HA ASP 4 5.221 -2.477 -14.699 19 1HB ASP 4 HB2 ASP 4 3.614 -0.048 -14.758 20 2HB ASP 4 HB1 ASP 4 5.339 0.320 -14.755 21 H ASP 5 HN ASP 5 6.435 -3.223 -12.813 22 HA ASP 5 HA ASP 5 8.248 -1.201 -11.797 23 1HB ASP 5 HB2 ASP 5 5.873 -1.756 -10.275 24 2HB ASP 5 HB1 ASP 5 7.276 -2.350 -9.387 25 HA PRO 6 HA PRO 6 10.733 -4.748 -11.117 26 1HB PRO 6 HB2 PRO 6 12.208 -4.022 -8.913 27 2HB PRO 6 HB1 PRO 6 12.461 -3.338 -10.530 28 1HG PRO 6 HG2 PRO 6 11.162 -2.082 -8.147 29 2HG PRO 6 HG1 PRO 6 11.978 -1.307 -9.517 30 1HD PRO 6 HD2 PRO 6 9.169 -1.534 -9.168 31 2HD PRO 6 HD1 PRO 6 10.003 -1.053 -10.660 32 H ALA 7 HN ALA 7 8.582 -5.859 -10.380 33 HA ALA 7 HA ALA 7 7.455 -7.259 -8.869 34 1HB ALA 7 HB3 ALA 7 10.022 -8.046 -8.892 35 2HB ALA 7 HB2 ALA 7 9.916 -7.537 -7.206 36 3HB ALA 7 HB1 ALA 7 8.829 -8.782 -7.823 37 H LYS 8 HN LYS 8 7.043 -4.600 -8.311 38 HA LYS 8 HA LYS 8 7.737 -3.721 -5.695 39 1HB LYS 8 HB2 LYS 8 6.318 -2.657 -7.779 40 2HB LYS 8 HB1 LYS 8 5.025 -3.014 -6.635 41 1HG LYS 8 HG2 LYS 8 6.307 -1.804 -4.867 42 2HG LYS 8 HG1 LYS 8 7.507 -1.365 -6.083 43 1HD LYS 8 HD2 LYS 8 6.137 0.508 -6.154 44 2HD LYS 8 HD1 LYS 8 5.385 -0.490 -7.399 45 1HE LYS 8 HE2 LYS 8 4.221 -1.336 -4.987 46 2HE LYS 8 HE1 LYS 8 4.277 0.424 -4.879 47 1HZ LYS 8 HZ1 LYS 8 3.474 0.056 -7.408 48 2HZ LYS 8 HZ3 LYS 8 2.737 -1.268 -6.645 49 3HZ LYS 8 HZ2 LYS 8 2.421 0.310 -6.098 50 H ALA 9 HN ALA 9 5.689 -6.256 -6.713 51 HA ALA 9 HA ALA 9 3.742 -6.266 -4.632 52 1HB ALA 9 HB2 ALA 9 4.777 -8.184 -6.627 53 2HB ALA 9 HB1 ALA 9 4.097 -8.922 -5.177 54 3HB ALA 9 HB3 ALA 9 3.113 -7.835 -6.158 55 H ALA 10 HN ALA 10 6.555 -8.499 -4.839 56 HA ALA 10 HA ALA 10 6.403 -9.135 -2.035 57 1HB ALA 10 HB3 ALA 10 7.507 -10.525 -3.872 58 2HB ALA 10 HB2 ALA 10 8.879 -9.427 -3.732 59 3HB ALA 10 HB1 ALA 10 8.384 -10.401 -2.347 60 H PHE 11 HN PHE 11 8.531 -6.909 -3.870 61 HA PHE 11 HA PHE 11 10.282 -6.144 -1.855 62 1HB PHE 11 HB2 PHE 11 9.755 -5.143 -4.315 63 2HB PHE 11 HB1 PHE 11 9.055 -3.868 -3.314 64 HD1 PHE 11 HD2 PHE 11 12.142 -5.926 -3.754 65 HD2 PHE 11 HD1 PHE 11 10.438 -2.289 -2.234 66 HE1 PHE 11 HE2 PHE 11 14.412 -5.086 -3.226 67 HE2 PHE 11 HE1 PHE 11 12.709 -1.448 -1.702 68 HZ PHE 11 HZ PHE 11 14.698 -2.845 -2.199 69 H ASP 12 HN ASP 12 6.922 -5.046 -2.289 70 HA ASP 12 HA ASP 12 6.951 -3.312 0.026 71 1HB ASP 12 HB2 ASP 12 5.256 -3.399 -1.966 72 2HB ASP 12 HB1 ASP 12 4.466 -4.662 -1.019 73 H SER 13 HN SER 13 6.113 -6.700 -0.553 74 HA SER 13 HA SER 13 5.149 -7.161 2.155 75 1HB SER 13 HB2 SER 13 5.091 -8.558 -0.273 76 2HB SER 13 HB1 SER 13 6.079 -9.552 0.792 77 HG SER 13 HG SER 13 3.618 -8.423 1.618 78 H LEU 14 HN LEU 14 7.859 -8.926 0.585 79 HA LEU 14 HA LEU 14 9.170 -9.744 2.884 80 1HB LEU 14 HB2 LEU 14 11.280 -9.771 1.586 81 2HB LEU 14 HB1 LEU 14 9.933 -10.405 0.643 82 HG LEU 14 HG LEU 14 9.797 -7.768 0.001 83 1HD1 LEU 14 HD13 LEU 14 12.110 -7.785 1.393 84 2HD1 LEU 14 HD12 LEU 14 12.726 -8.204 -0.206 85 3HD1 LEU 14 HD11 LEU 14 11.826 -6.705 0.029 86 1HD2 LEU 14 HD21 LEU 14 10.763 -10.237 -1.195 87 2HD2 LEU 14 HD23 LEU 14 9.867 -8.916 -1.946 88 3HD2 LEU 14 HD22 LEU 14 11.626 -8.839 -1.836 89 H GLN 15 HN GLN 15 9.499 -6.526 1.360 90 HA GLN 15 HA GLN 15 11.466 -5.654 3.317 91 1HB GLN 15 HB2 GLN 15 11.070 -4.663 0.968 92 2HB GLN 15 HB1 GLN 15 9.701 -3.817 1.695 93 1HG GLN 15 HG2 GLN 15 11.208 -2.228 2.286 94 2HG GLN 15 HG1 GLN 15 11.726 -3.372 3.525 95 1HE2 GLN 15 HE22 GLN 15 14.948 -3.295 2.079 96 2HE2 GLN 15 HE21 GLN 15 14.008 -3.054 3.474 97 H ALA 16 HN ALA 16 7.959 -5.332 2.928 98 HA ALA 16 HA ALA 16 7.362 -3.577 4.991 99 1HB ALA 16 HB1 ALA 16 5.955 -5.876 3.784 100 2HB ALA 16 HB3 ALA 16 5.345 -5.289 5.332 101 3HB ALA 16 HB2 ALA 16 5.421 -4.203 3.944 102 H SER 17 HN SER 17 6.775 -6.880 5.548 103 HA SER 17 HA SER 17 7.588 -6.610 8.353 104 1HB SER 17 HB2 SER 17 5.734 -8.181 7.132 105 2HB SER 17 HB1 SER 17 7.077 -9.315 7.238 106 HG SER 17 HG SER 17 6.999 -9.221 9.387 107 H ALA 18 HN ALA 18 9.885 -6.017 7.681 108 HA ALA 18 HA ALA 18 11.420 -8.459 6.852 109 1HB ALA 18 HB2 ALA 18 11.711 -5.573 6.352 110 2HB ALA 18 HB1 ALA 18 13.218 -6.391 6.765 111 3HB ALA 18 HB3 ALA 18 12.262 -6.945 5.392 112 H THR 19 HN THR 19 12.853 -5.724 8.480 113 HA THR 19 HA THR 19 12.869 -6.634 11.158 114 HB THR 19 HB THR 19 13.997 -8.637 10.537 115 HG1 THR 19 HG1 THR 19 15.539 -8.348 11.916 116 1HG2 THR 19 HG21 THR 19 14.637 -7.452 8.237 117 2HG2 THR 19 HG23 THR 19 16.176 -7.221 9.064 118 3HG2 THR 19 HG22 THR 19 15.537 -8.848 8.829 119 H GLU 20 HN GLU 20 15.226 -5.471 8.711 120 HA GLU 20 HA GLU 20 16.676 -3.673 10.289 121 1HB GLU 20 HB2 GLU 20 17.304 -4.119 7.985 122 2HB GLU 20 HB1 GLU 20 15.797 -3.398 7.421 123 1HG GLU 20 HG2 GLU 20 17.149 -1.570 7.162 124 2HG GLU 20 HG1 GLU 20 16.734 -1.333 8.865 125 H TYR 21 HN TYR 21 14.828 -1.906 8.088 126 HA TYR 21 HA TYR 21 13.684 -0.360 10.267 127 1HB TYR 21 HB2 TYR 21 12.849 0.914 8.131 128 2HB TYR 21 HB1 TYR 21 14.473 1.158 8.691 129 HD1 TYR 21 HD2 TYR 21 12.352 -0.727 6.290 130 HD2 TYR 21 HD1 TYR 21 16.320 0.553 7.314 131 HE1 TYR 21 HE2 TYR 21 13.171 -1.517 4.090 132 HE2 TYR 21 HE1 TYR 21 17.142 -0.238 5.111 133 HH TYR 21 HH TYR 21 15.632 -0.633 2.619 134 H ILE 22 HN ILE 22 12.933 -3.160 9.029 135 HA ILE 22 HA ILE 22 11.050 -4.390 8.506 136 HB ILE 22 HB ILE 22 10.616 -3.662 10.876 137 1HG1 ILE 22 HG12 ILE 22 7.943 -3.742 9.589 138 2HG1 ILE 22 HG11 ILE 22 9.051 -5.040 9.149 139 1HG2 ILE 22 HG21 ILE 22 9.259 -1.442 9.393 140 2HG2 ILE 22 HG23 ILE 22 8.597 -1.988 10.933 141 3HG2 ILE 22 HG22 ILE 22 10.248 -1.370 10.851 142 1HD1 ILE 22 HD11 ILE 22 8.507 -4.250 12.021 143 2HD1 ILE 22 HD13 ILE 22 7.603 -5.512 11.185 144 3HD1 ILE 22 HD12 ILE 22 9.339 -5.693 11.442 145 H GLY 23 HN GLY 23 11.734 -2.507 6.529 146 1HA GLY 23 HA2 GLY 23 10.803 -1.174 4.787 147 2HA GLY 23 HA1 GLY 23 9.683 -2.534 4.725 148 H TYR 24 HN TYR 24 9.872 -0.420 7.477 149 HA TYR 24 HA TYR 24 8.156 0.656 8.586 150 1HB TYR 24 HB2 TYR 24 9.314 2.208 6.804 151 2HB TYR 24 HB1 TYR 24 7.719 2.139 6.040 152 HD1 TYR 24 HD1 TYR 24 5.758 2.824 7.228 153 HD2 TYR 24 HD2 TYR 24 9.633 3.296 8.937 154 HE1 TYR 24 HE1 TYR 24 4.803 4.366 8.917 155 HE2 TYR 24 HE2 TYR 24 8.706 4.838 10.639 156 HH TYR 24 HH TYR 24 5.243 5.346 10.965 157 H ALA 25 HN ALA 25 7.129 -1.689 7.851 158 HA ALA 25 HA ALA 25 4.452 -0.982 6.734 159 1HB ALA 25 HB2 ALA 25 5.967 -3.604 6.520 160 2HB ALA 25 HB1 ALA 25 4.334 -3.326 5.919 161 3HB ALA 25 HB3 ALA 25 5.694 -2.462 5.206 162 H TRP 26 HN TRP 26 6.328 -2.731 9.128 163 HA TRP 26 HA TRP 26 4.593 -4.358 10.443 164 1HB TRP 26 HB2 TRP 26 5.975 -4.146 12.265 165 2HB TRP 26 HB1 TRP 26 6.968 -3.310 11.086 166 HD1 TRP 26 HD1 TRP 26 5.684 -2.892 14.413 167 HE1 TRP 26 HE1 TRP 26 5.747 -0.454 15.167 168 HE3 TRP 26 HE3 TRP 26 6.352 -0.545 9.904 169 HZ2 TRP 26 HZ2 TRP 26 6.025 2.147 14.060 170 HZ3 TRP 26 HZ3 TRP 26 6.513 1.913 9.814 171 HH2 TRP 26 HH2 TRP 26 6.345 3.267 11.877 172 H ALA 27 HN ALA 27 4.231 -0.873 10.243 173 HA ALA 27 HA ALA 27 1.700 -1.171 11.777 174 1HB ALA 27 HB2 ALA 27 3.630 0.060 12.976 175 2HB ALA 27 HB1 ALA 27 3.335 1.358 11.819 176 3HB ALA 27 HB3 ALA 27 2.058 0.859 12.927 177 H MET 28 HN MET 28 3.313 1.353 9.850 178 HA MET 28 HA MET 28 1.071 2.530 8.799 179 1HB MET 28 HB2 MET 28 3.755 2.902 8.535 180 2HB MET 28 HB1 MET 28 3.306 2.370 6.916 181 1HG MET 28 HG2 MET 28 1.288 4.157 7.599 182 2HG MET 28 HG1 MET 28 2.746 4.906 8.248 183 1HE MET 28 HE3 MET 28 3.749 6.305 7.394 184 2HE MET 28 HE2 MET 28 4.632 6.295 5.871 185 3HE MET 28 HE1 MET 28 3.059 7.082 5.961 186 H VAL 29 HN VAL 29 2.281 -0.599 8.045 187 HA VAL 29 HA VAL 29 1.386 -0.756 5.320 188 HB VAL 29 HB VAL 29 2.928 -2.373 6.620 189 1HG1 VAL 29 HG12 VAL 29 1.298 -2.825 8.453 190 2HG1 VAL 29 HG11 VAL 29 0.226 -3.591 7.283 191 3HG1 VAL 29 HG13 VAL 29 1.802 -4.301 7.633 192 1HG2 VAL 29 HG21 VAL 29 1.441 -2.604 4.303 193 2HG2 VAL 29 HG23 VAL 29 2.703 -3.725 4.811 194 3HG2 VAL 29 HG22 VAL 29 1.014 -4.075 5.177 195 H VAL 30 HN VAL 30 -0.196 -1.714 8.385 196 HA VAL 30 HA VAL 30 -2.666 -2.430 7.013 197 HB VAL 30 HB VAL 30 -1.865 -3.392 9.229 198 1HG1 VAL 30 HG11 VAL 30 -1.215 -1.232 10.248 199 2HG1 VAL 30 HG13 VAL 30 -2.904 -0.724 10.233 200 3HG1 VAL 30 HG12 VAL 30 -2.400 -2.079 11.243 201 1HG2 VAL 30 HG23 VAL 30 -4.449 -2.834 8.255 202 2HG2 VAL 30 HG22 VAL 30 -4.012 -4.050 9.455 203 3HG2 VAL 30 HG21 VAL 30 -4.501 -2.437 9.972 204 H VAL 31 HN VAL 31 -1.543 0.349 8.940 205 HA VAL 31 HA VAL 31 -3.973 1.787 9.051 206 HB VAL 31 HB VAL 31 -1.130 2.809 8.784 207 1HG1 VAL 31 HG11 VAL 31 -3.692 4.194 8.769 208 2HG1 VAL 31 HG13 VAL 31 -2.698 4.688 10.139 209 3HG1 VAL 31 HG12 VAL 31 -2.074 4.839 8.496 210 1HG2 VAL 31 HG22 VAL 31 -2.975 2.241 11.117 211 2HG2 VAL 31 HG21 VAL 31 -1.396 1.525 10.793 212 3HG2 VAL 31 HG23 VAL 31 -1.515 3.218 11.270 213 H ILE 32 HN ILE 32 -1.435 1.922 6.525 214 HA ILE 32 HA ILE 32 -2.830 3.784 4.892 215 HB ILE 32 HB ILE 32 -0.516 3.365 4.575 216 1HG1 ILE 32 HG12 ILE 32 -0.587 2.757 2.051 217 2HG1 ILE 32 HG11 ILE 32 -2.333 2.703 2.298 218 1HG2 ILE 32 HG21 ILE 32 -0.890 0.816 5.093 219 2HG2 ILE 32 HG23 ILE 32 -1.004 0.712 3.336 220 3HG2 ILE 32 HG22 ILE 32 0.465 1.332 4.090 221 1HD1 ILE 32 HD13 ILE 32 -1.905 5.039 3.476 222 2HD1 ILE 32 HD12 ILE 32 -0.468 5.040 2.453 223 3HD1 ILE 32 HD11 ILE 32 -2.070 4.934 1.724 224 H VAL 33 HN VAL 33 -2.593 0.205 4.540 225 HA VAL 33 HA VAL 33 -4.295 0.009 2.339 226 HB VAL 33 HB VAL 33 -4.106 -1.798 4.773 227 1HG1 VAL 33 HG13 VAL 33 -5.470 -2.279 2.105 228 2HG1 VAL 33 HG12 VAL 33 -5.214 -3.504 3.347 229 3HG1 VAL 33 HG11 VAL 33 -6.274 -2.132 3.668 230 1HG2 VAL 33 HG21 VAL 33 -2.940 -1.929 1.971 231 2HG2 VAL 33 HG23 VAL 33 -2.046 -1.637 3.464 232 3HG2 VAL 33 HG22 VAL 33 -2.792 -3.209 3.176 233 H GLY 34 HN GLY 34 -5.016 0.978 5.580 234 1HA GLY 34 HA2 GLY 34 -7.888 0.578 5.406 235 2HA GLY 34 HA1 GLY 34 -7.068 1.700 6.506 236 H ALA 35 HN ALA 35 -5.714 3.348 4.912 237 HA ALA 35 HA ALA 35 -7.725 5.084 3.817 238 1HB ALA 35 HB2 ALA 35 -4.901 5.189 4.374 239 2HB ALA 35 HB1 ALA 35 -5.203 5.809 2.751 240 3HB ALA 35 HB3 ALA 35 -6.028 6.525 4.136 241 H THR 36 HN THR 36 -5.105 3.175 2.129 242 HA THR 36 HA THR 36 -5.823 3.852 -0.488 243 HB THR 36 HB THR 36 -4.919 1.124 0.480 244 HG1 THR 36 HG1 THR 36 -3.223 3.062 -0.597 245 1HG2 THR 36 HG23 THR 36 -5.488 2.254 -2.137 246 2HG2 THR 36 HG22 THR 36 -3.809 1.728 -2.011 247 3HG2 THR 36 HG21 THR 36 -5.117 0.587 -1.697 248 H ILE 37 HN ILE 37 -6.896 0.892 1.199 249 HA ILE 37 HA ILE 37 -8.892 0.181 -0.705 250 HB ILE 37 HB ILE 37 -8.697 -0.379 2.258 251 1HG1 ILE 37 HG12 ILE 37 -7.909 -1.916 -0.238 252 2HG1 ILE 37 HG11 ILE 37 -6.834 -1.307 1.021 253 1HG2 ILE 37 HG22 ILE 37 -10.488 -1.598 0.132 254 2HG2 ILE 37 HG21 ILE 37 -10.281 -2.250 1.758 255 3HG2 ILE 37 HG23 ILE 37 -11.011 -0.660 1.531 256 1HD1 ILE 37 HD13 ILE 37 -9.020 -3.345 1.516 257 2HD1 ILE 37 HD12 ILE 37 -7.335 -3.767 1.213 258 3HD1 ILE 37 HD11 ILE 37 -7.766 -2.836 2.646 259 H GLY 38 HN GLY 38 -8.899 2.641 1.700 260 1HA GLY 38 HA2 GLY 38 -11.787 2.814 2.016 261 2HA GLY 38 HA1 GLY 38 -10.615 4.014 2.565 262 H ILE 39 HN ILE 39 -9.573 5.301 0.764 263 HA ILE 39 HA ILE 39 -11.599 6.511 -0.846 264 HB ILE 39 HB ILE 39 -8.587 6.682 -1.135 265 1HG1 ILE 39 HG12 ILE 39 -9.721 8.956 0.159 266 2HG1 ILE 39 HG11 ILE 39 -10.318 7.520 0.993 267 1HG2 ILE 39 HG23 ILE 39 -10.828 7.885 -2.533 268 2HG2 ILE 39 HG22 ILE 39 -9.842 9.121 -1.750 269 3HG2 ILE 39 HG21 ILE 39 -9.105 7.998 -2.893 270 1HD1 ILE 39 HD11 ILE 39 -7.560 7.087 0.431 271 2HD1 ILE 39 HD13 ILE 39 -7.708 8.697 1.135 272 3HD1 ILE 39 HD12 ILE 39 -8.324 7.293 2.007 273 H LYS 40 HN LYS 40 -9.896 3.595 -1.194 274 HA LYS 40 HA LYS 40 -9.630 3.645 -4.108 275 1HB LYS 40 HB2 LYS 40 -8.194 2.132 -2.901 276 2HB LYS 40 HB1 LYS 40 -9.569 1.387 -2.085 277 1HG LYS 40 HG2 LYS 40 -10.401 0.762 -4.447 278 2HG LYS 40 HG1 LYS 40 -8.775 1.172 -4.991 279 1HD LYS 40 HD2 LYS 40 -8.013 -0.402 -3.037 280 2HD LYS 40 HD1 LYS 40 -9.652 -1.042 -3.161 281 1HE LYS 40 HE2 LYS 40 -8.882 -0.930 -5.801 282 2HE LYS 40 HE1 LYS 40 -7.374 -1.361 -4.995 283 1HZ LYS 40 HZ3 LYS 40 -9.377 -2.867 -3.812 284 2HZ LYS 40 HZ2 LYS 40 -9.637 -2.973 -5.487 285 3HZ LYS 40 HZ1 LYS 40 -8.136 -3.418 -4.826 286 H LEU 41 HN LEU 41 -11.810 1.793 -1.931 287 HA LEU 41 HA LEU 41 -13.569 1.070 -4.117 288 1HB LEU 41 HB2 LEU 41 -13.528 0.725 -1.169 289 2HB LEU 41 HB1 LEU 41 -15.125 0.721 -1.920 290 HG LEU 41 HG LEU 41 -13.052 -0.871 -3.317 291 1HD1 LEU 41 HD13 LEU 41 -12.813 -1.181 -0.721 292 2HD1 LEU 41 HD12 LEU 41 -14.324 -2.076 -0.874 293 3HD1 LEU 41 HD11 LEU 41 -12.893 -2.606 -1.757 294 1HD2 LEU 41 HD22 LEU 41 -15.940 -0.713 -3.011 295 2HD2 LEU 41 HD21 LEU 41 -14.998 -1.516 -4.267 296 3HD2 LEU 41 HD23 LEU 41 -15.369 -2.365 -2.765 297 H PHE 42 HN PHE 42 -13.570 3.641 -1.676 298 HA PHE 42 HA PHE 42 -16.212 4.619 -2.284 299 1HB PHE 42 HB2 PHE 42 -14.226 5.231 -0.416 300 2HB PHE 42 HB1 PHE 42 -14.355 6.688 -1.404 301 HD1 PHE 42 HD2 PHE 42 -17.117 6.848 -2.183 302 HD2 PHE 42 HD1 PHE 42 -15.452 5.528 1.553 303 HE1 PHE 42 HE2 PHE 42 -19.233 7.443 -1.031 304 HE2 PHE 42 HE1 PHE 42 -17.568 6.123 2.705 305 HZ PHE 42 HZ PHE 42 -19.459 7.080 1.413 306 H LYS 43 HN LYS 43 -12.961 5.624 -3.371 307 HA LYS 43 HA LYS 43 -13.722 7.768 -5.031 308 1HB LYS 43 HB2 LYS 43 -11.372 7.238 -4.598 309 2HB LYS 43 HB1 LYS 43 -11.532 5.716 -5.476 310 1HG LYS 43 HG2 LYS 43 -10.778 6.946 -7.242 311 2HG LYS 43 HG1 LYS 43 -12.461 7.466 -7.342 312 1HD LYS 43 HD2 LYS 43 -11.652 9.567 -7.115 313 2HD LYS 43 HD1 LYS 43 -11.427 9.152 -5.415 314 1HE LYS 43 HE2 LYS 43 -9.157 8.140 -6.214 315 2HE LYS 43 HE1 LYS 43 -9.399 9.152 -7.639 316 1HZ LYS 43 HZ3 LYS 43 -9.406 10.106 -4.828 317 2HZ LYS 43 HZ2 LYS 43 -8.126 10.296 -5.929 318 3HZ LYS 43 HZ1 LYS 43 -9.612 11.073 -6.205 319 H LYS 44 HN LYS 44 -13.408 4.311 -5.906 320 HA LYS 44 HA LYS 44 -14.391 4.651 -8.583 321 1HB LYS 44 HB2 LYS 44 -13.816 2.396 -6.758 322 2HB LYS 44 HB1 LYS 44 -15.079 2.076 -7.947 323 1HG LYS 44 HG2 LYS 44 -13.502 2.959 -9.720 324 2HG LYS 44 HG1 LYS 44 -12.241 2.981 -8.488 325 1HD LYS 44 HD2 LYS 44 -12.246 0.642 -8.258 326 2HD LYS 44 HD1 LYS 44 -13.848 0.481 -8.979 327 1HE LYS 44 HE2 LYS 44 -11.633 1.640 -10.634 328 2HE LYS 44 HE1 LYS 44 -11.685 -0.105 -10.386 329 1HZ LYS 44 HZ1 LYS 44 -14.187 1.197 -11.113 330 2HZ LYS 44 HZ3 LYS 44 -13.005 1.096 -12.325 331 3HZ LYS 44 HZ2 LYS 44 -13.574 -0.319 -11.577 332 H PHE 45 HN PHE 45 -15.898 4.456 -5.476 333 HA PHE 45 HA PHE 45 -18.575 3.963 -6.640 334 1HB PHE 45 HB2 PHE 45 -17.556 3.120 -4.314 335 2HB PHE 45 HB1 PHE 45 -18.196 4.667 -3.762 336 HD1 PHE 45 HD1 PHE 45 -19.323 1.969 -6.128 337 HD2 PHE 45 HD2 PHE 45 -20.311 4.529 -2.823 338 HE1 PHE 45 HE1 PHE 45 -21.609 1.006 -6.066 339 HE2 PHE 45 HE2 PHE 45 -22.595 3.568 -2.760 340 HZ PHE 45 HZ PHE 45 -23.245 1.806 -4.381 341 H THR 46 HN THR 46 -16.944 6.468 -7.101 342 HA THR 46 HA THR 46 -18.990 8.328 -7.113 343 HB THR 46 HB THR 46 -17.321 9.625 -5.202 344 HG1 THR 46 HG1 THR 46 -18.374 7.874 -3.588 345 1HG2 THR 46 HG23 THR 46 -20.011 9.439 -5.881 346 2HG2 THR 46 HG22 THR 46 -19.941 8.778 -4.248 347 3HG2 THR 46 HG21 THR 46 -19.338 10.404 -4.568 348 H SER 47 HN SER 47 -16.937 7.479 -8.848 349 HA SER 47 HA SER 47 -15.870 10.055 -9.645 350 1HB SER 47 HB2 SER 47 -14.321 8.708 -7.778 351 2HB SER 47 HB1 SER 47 -13.582 8.258 -9.311 352 HG SER 47 HG SER 47 -14.219 10.910 -8.495 353 H LYS 48 HN LYS 48 -14.585 6.736 -10.027 354 HA LYS 48 HA LYS 48 -14.714 7.062 -12.950 355 1HB LYS 48 HB2 LYS 48 -13.709 4.840 -11.152 356 2HB LYS 48 HB1 LYS 48 -13.710 4.729 -12.913 357 1HG LYS 48 HG2 LYS 48 -12.517 7.106 -12.697 358 2HG LYS 48 HG1 LYS 48 -12.054 6.456 -11.125 359 1HD LYS 48 HD2 LYS 48 -11.725 4.479 -13.238 360 2HD LYS 48 HD1 LYS 48 -10.786 5.939 -13.558 361 1HE LYS 48 HE2 LYS 48 -9.907 5.796 -11.199 362 2HE LYS 48 HE1 LYS 48 -10.701 4.227 -11.060 363 1HZ LYS 48 HZ3 LYS 48 -9.413 3.800 -13.282 364 2HZ LYS 48 HZ2 LYS 48 -8.385 5.008 -12.673 365 3HZ LYS 48 HZ1 LYS 48 -8.655 3.588 -11.781 366 H ALA 49 HN ALA 49 -16.724 5.865 -10.477 367 HA ALA 49 HA ALA 49 -18.359 4.424 -12.524 368 1HB ALA 49 HB3 ALA 49 -17.161 3.290 -10.269 369 2HB ALA 49 HB2 ALA 49 -18.839 3.543 -9.788 370 3HB ALA 49 HB1 ALA 49 -18.466 2.583 -11.221 371 H SER 50 HN SER 50 -18.945 5.311 -9.119 372 HA SER 50 HA SER 50 -20.791 6.436 -8.187 373 1HB SER 50 HB2 SER 50 -21.254 8.532 -9.928 374 2HB SER 50 HB1 SER 50 -20.080 8.543 -8.616 375 HG SER 50 HG SER 50 -18.664 8.745 -10.155 No H/Q in entry = 375 Start of MODEL 5 1 1H ALA 1 HT2 ALA 1 19.540 1.889 -15.986 2 2H ALA 1 HT1 ALA 1 19.270 3.245 -14.999 3 3H ALA 1 HT3 ALA 1 20.160 3.406 -16.434 4 HA ALA 1 HA ALA 1 22.048 2.550 -15.560 5 1HB ALA 1 HB2 ALA 1 20.410 3.812 -13.401 6 2HB ALA 1 HB1 ALA 1 21.928 3.040 -12.944 7 3HB ALA 1 HB3 ALA 1 21.926 4.355 -14.120 8 H GLU 2 HN GLU 2 20.011 1.686 -12.777 9 HA GLU 2 HA GLU 2 19.753 -0.369 -11.674 10 1HB GLU 2 HB2 GLU 2 19.155 -0.839 -14.311 11 2HB GLU 2 HB1 GLU 2 20.448 -2.005 -14.030 12 1HG GLU 2 HG2 GLU 2 18.919 -3.339 -13.050 13 2HG GLU 2 HG1 GLU 2 18.826 -2.158 -11.744 14 H GLY 3 HN GLY 3 21.106 -2.794 -11.987 15 1HA GLY 3 HA2 GLY 3 23.962 -2.370 -12.308 16 2HA GLY 3 HA1 GLY 3 23.490 -2.453 -10.610 17 H ASP 4 HN ASP 4 22.029 -4.233 -13.306 18 HA ASP 4 HA ASP 4 21.685 -6.547 -13.543 19 1HB ASP 4 HB2 ASP 4 24.281 -6.129 -13.846 20 2HB ASP 4 HB1 ASP 4 24.385 -7.000 -12.315 21 H ASP 5 HN ASP 5 20.087 -6.965 -11.972 22 HA ASP 5 HA ASP 5 20.998 -8.465 -9.631 23 1HB ASP 5 HB2 ASP 5 20.346 -5.666 -9.393 24 2HB ASP 5 HB1 ASP 5 19.170 -6.631 -8.498 25 HA PRO 6 HA PRO 6 17.030 -10.009 -11.150 26 1HB PRO 6 HB2 PRO 6 17.576 -12.630 -10.513 27 2HB PRO 6 HB1 PRO 6 18.086 -11.864 -12.029 28 1HG PRO 6 HG2 PRO 6 19.738 -12.556 -9.633 29 2HG PRO 6 HG1 PRO 6 20.235 -12.389 -11.327 30 1HD PRO 6 HD2 PRO 6 20.626 -10.455 -9.288 31 2HD PRO 6 HD1 PRO 6 20.811 -10.185 -11.032 32 H ALA 7 HN ALA 7 16.409 -8.731 -9.087 33 HA ALA 7 HA ALA 7 14.843 -10.285 -7.350 34 1HB ALA 7 HB1 ALA 7 17.529 -10.634 -6.732 35 2HB ALA 7 HB3 ALA 7 16.989 -9.426 -5.566 36 3HB ALA 7 HB2 ALA 7 16.170 -10.984 -5.664 37 H LYS 8 HN LYS 8 16.699 -7.350 -7.880 38 HA LYS 8 HA LYS 8 15.953 -5.603 -5.906 39 1HB LYS 8 HB2 LYS 8 16.578 -5.364 -8.716 40 2HB LYS 8 HB1 LYS 8 15.326 -4.202 -8.278 41 1HG LYS 8 HG2 LYS 8 16.686 -3.285 -6.514 42 2HG LYS 8 HG1 LYS 8 17.879 -4.571 -6.696 43 1HD LYS 8 HD2 LYS 8 18.348 -3.780 -9.005 44 2HD LYS 8 HD1 LYS 8 17.209 -2.454 -8.760 45 1HE LYS 8 HE2 LYS 8 18.819 -1.245 -7.758 46 2HE LYS 8 HE1 LYS 8 19.014 -2.505 -6.539 47 1HZ LYS 8 HZ3 LYS 8 20.372 -3.689 -8.325 48 2HZ LYS 8 HZ2 LYS 8 20.443 -2.179 -9.102 49 3HZ LYS 8 HZ1 LYS 8 21.086 -2.366 -7.541 50 H ALA 9 HN ALA 9 13.815 -6.978 -8.351 51 HA ALA 9 HA ALA 9 11.553 -5.332 -8.051 52 1HB ALA 9 HB2 ALA 9 11.737 -8.330 -8.454 53 2HB ALA 9 HB1 ALA 9 10.226 -7.427 -8.562 54 3HB ALA 9 HB3 ALA 9 11.534 -7.095 -9.698 55 H ALA 10 HN ALA 10 12.088 -8.410 -6.284 56 HA ALA 10 HA ALA 10 10.022 -7.939 -4.367 57 1HB ALA 10 HB1 ALA 10 12.411 -9.743 -4.508 58 2HB ALA 10 HB3 ALA 10 11.580 -9.562 -2.963 59 3HB ALA 10 HB2 ALA 10 10.702 -10.158 -4.372 60 H PHE 11 HN PHE 11 13.453 -7.041 -4.420 61 HA PHE 11 HA PHE 11 13.934 -6.299 -1.804 62 1HB PHE 11 HB2 PHE 11 15.153 -5.740 -4.206 63 2HB PHE 11 HB1 PHE 11 14.615 -4.141 -3.692 64 HD1 PHE 11 HD1 PHE 11 15.163 -3.406 -1.280 65 HD2 PHE 11 HD2 PHE 11 17.063 -6.729 -3.233 66 HE1 PHE 11 HE1 PHE 11 17.028 -3.302 0.353 67 HE2 PHE 11 HE2 PHE 11 18.925 -6.624 -1.600 68 HZ PHE 11 HZ PHE 11 18.908 -4.910 0.192 69 H ASP 12 HN ASP 12 12.248 -4.280 -4.222 70 HA ASP 12 HA ASP 12 11.462 -2.297 -2.255 71 1HB ASP 12 HB2 ASP 12 10.028 -1.413 -4.055 72 2HB ASP 12 HB1 ASP 12 11.646 -1.762 -4.664 73 H SER 13 HN SER 13 10.032 -5.257 -3.529 74 HA SER 13 HA SER 13 7.378 -4.792 -2.463 75 1HB SER 13 HB2 SER 13 8.607 -6.743 -4.064 76 2HB SER 13 HB1 SER 13 8.088 -7.605 -2.619 77 HG SER 13 HG SER 13 6.534 -5.988 -4.362 78 H LEU 14 HN LEU 14 9.560 -7.411 -1.402 79 HA LEU 14 HA LEU 14 8.458 -7.849 1.116 80 1HB LEU 14 HB2 LEU 14 11.420 -7.840 1.219 81 2HB LEU 14 HB1 LEU 14 10.291 -9.138 1.592 82 HG LEU 14 HG LEU 14 11.198 -8.268 -1.156 83 1HD1 LEU 14 HD12 LEU 14 11.617 -10.814 0.431 84 2HD1 LEU 14 HD11 LEU 14 12.134 -10.565 -1.237 85 3HD1 LEU 14 HD13 LEU 14 12.849 -9.608 0.061 86 1HD2 LEU 14 HD21 LEU 14 8.769 -9.535 -0.334 87 2HD2 LEU 14 HD23 LEU 14 9.337 -9.248 -1.978 88 3HD2 LEU 14 HD22 LEU 14 9.760 -10.745 -1.148 89 H GLN 15 HN GLN 15 11.194 -5.618 0.449 90 HA GLN 15 HA GLN 15 11.430 -4.489 2.999 91 1HB GLN 15 HB2 GLN 15 11.632 -3.155 0.287 92 2HB GLN 15 HB1 GLN 15 12.031 -2.327 1.788 93 1HG GLN 15 HG2 GLN 15 13.280 -4.967 1.611 94 2HG GLN 15 HG1 GLN 15 13.780 -3.895 0.305 95 1HE2 GLN 15 HE22 GLN 15 14.654 -2.784 4.172 96 2HE2 GLN 15 HE21 GLN 15 13.325 -3.802 3.888 97 H ALA 16 HN ALA 16 9.217 -3.424 0.398 98 HA ALA 16 HA ALA 16 7.845 -1.448 1.791 99 1HB ALA 16 HB2 ALA 16 6.805 -3.457 -0.184 100 2HB ALA 16 HB1 ALA 16 5.847 -2.099 0.403 101 3HB ALA 16 HB3 ALA 16 7.318 -1.806 -0.524 102 H SER 17 HN SER 17 6.085 -4.316 1.310 103 HA SER 17 HA SER 17 5.042 -4.185 4.048 104 1HB SER 17 HB2 SER 17 4.235 -6.607 2.834 105 2HB SER 17 HB1 SER 17 3.277 -5.140 3.015 106 HG SER 17 HG SER 17 3.745 -4.574 1.000 107 H ALA 18 HN ALA 18 6.923 -4.675 5.364 108 HA ALA 18 HA ALA 18 7.900 -7.492 4.983 109 1HB ALA 18 HB3 ALA 18 9.364 -4.974 5.729 110 2HB ALA 18 HB2 ALA 18 9.986 -6.545 6.234 111 3HB ALA 18 HB1 ALA 18 9.786 -6.185 4.519 112 H THR 19 HN THR 19 8.797 -5.475 7.687 113 HA THR 19 HA THR 19 6.789 -6.329 9.547 114 HB THR 19 HB THR 19 7.536 -8.542 9.527 115 HG1 THR 19 HG1 THR 19 7.742 -7.969 11.622 116 1HG2 THR 19 HG21 THR 19 9.459 -7.933 7.951 117 2HG2 THR 19 HG23 THR 19 10.422 -7.655 9.402 118 3HG2 THR 19 HG22 THR 19 9.764 -9.258 9.075 119 H GLU 20 HN GLU 20 10.334 -5.804 9.367 120 HA GLU 20 HA GLU 20 10.602 -4.468 11.858 121 1HB GLU 20 HB2 GLU 20 12.620 -3.387 10.685 122 2HB GLU 20 HB1 GLU 20 12.613 -5.144 10.813 123 1HG GLU 20 HG2 GLU 20 11.230 -4.120 8.426 124 2HG GLU 20 HG1 GLU 20 12.955 -3.756 8.466 125 H TYR 21 HN TYR 21 11.619 -2.267 9.588 126 HA TYR 21 HA TYR 21 9.723 -0.342 10.461 127 1HB TYR 21 HB2 TYR 21 10.837 0.872 8.428 128 2HB TYR 21 HB1 TYR 21 11.719 0.700 9.910 129 HD1 TYR 21 HD1 TYR 21 10.959 -1.775 7.212 130 HD2 TYR 21 HD2 TYR 21 13.966 0.487 9.276 131 HE1 TYR 21 HE1 TYR 21 12.721 -2.985 5.966 132 HE2 TYR 21 HE2 TYR 21 15.730 -0.722 8.031 133 HH TYR 21 HH TYR 21 15.940 -2.974 6.864 134 H ILE 22 HN ILE 22 9.546 -2.945 8.380 135 HA ILE 22 HA ILE 22 8.150 -3.593 6.630 136 HB ILE 22 HB ILE 22 6.508 -3.186 8.441 137 1HG1 ILE 22 HG12 ILE 22 4.658 -2.383 6.570 138 2HG1 ILE 22 HG11 ILE 22 5.970 -2.972 5.553 139 1HG2 ILE 22 HG22 ILE 22 6.546 -0.428 7.234 140 2HG2 ILE 22 HG21 ILE 22 5.150 -1.019 8.123 141 3HG2 ILE 22 HG23 ILE 22 6.709 -0.889 8.927 142 1HD1 ILE 22 HD12 ILE 22 5.848 -4.901 7.511 143 2HD1 ILE 22 HD11 ILE 22 4.151 -4.465 7.311 144 3HD1 ILE 22 HD13 ILE 22 5.087 -5.024 5.925 145 H GLY 23 HN GLY 23 10.027 -1.877 5.597 146 1HA GLY 23 HA2 GLY 23 10.379 -0.171 3.957 147 2HA GLY 23 HA1 GLY 23 9.086 -1.057 3.139 148 H TYR 24 HN TYR 24 8.608 0.520 6.172 149 HA TYR 24 HA TYR 24 6.956 1.997 6.817 150 1HB TYR 24 HB2 TYR 24 9.025 3.329 5.710 151 2HB TYR 24 HB1 TYR 24 7.696 3.891 4.683 152 HD1 TYR 24 HD1 TYR 24 8.650 3.342 8.245 153 HD2 TYR 24 HD2 TYR 24 6.155 5.466 5.476 154 HE1 TYR 24 HE1 TYR 24 7.767 4.718 10.100 155 HE2 TYR 24 HE2 TYR 24 5.274 6.852 7.327 156 HH TYR 24 HH TYR 24 6.375 6.346 10.686 157 H ALA 25 HN ALA 25 5.569 0.251 5.617 158 HA ALA 25 HA ALA 25 3.884 1.760 3.651 159 1HB ALA 25 HB2 ALA 25 5.048 -0.944 3.503 160 2HB ALA 25 HB1 ALA 25 3.319 -0.892 3.160 161 3HB ALA 25 HB3 ALA 25 4.436 0.088 2.210 162 H TRP 26 HN TRP 26 3.989 -0.688 6.223 163 HA TRP 26 HA TRP 26 1.310 -1.294 6.565 164 1HB TRP 26 HB2 TRP 26 1.897 -2.059 8.640 165 2HB TRP 26 HB1 TRP 26 3.513 -1.785 8.015 166 HD1 TRP 26 HD1 TRP 26 1.668 -1.205 10.971 167 HE1 TRP 26 HE1 TRP 26 2.520 0.773 12.347 168 HE3 TRP 26 HE3 TRP 26 4.541 1.168 7.441 169 HZ2 TRP 26 HZ2 TRP 26 4.185 3.053 12.029 170 HZ3 TRP 26 HZ3 TRP 26 5.744 3.246 8.038 171 HH2 TRP 26 HH2 TRP 26 5.565 4.191 10.322 172 H ALA 27 HN ALA 27 2.718 1.853 7.035 173 HA ALA 27 HA ALA 27 0.223 2.801 8.341 174 1HB ALA 27 HB2 ALA 27 2.928 4.141 8.052 175 2HB ALA 27 HB1 ALA 27 1.531 4.847 8.863 176 3HB ALA 27 HB3 ALA 27 2.292 3.397 9.518 177 H MET 28 HN MET 28 2.556 4.189 6.022 178 HA MET 28 HA MET 28 0.735 5.911 4.820 179 1HB MET 28 HB2 MET 28 3.349 5.737 4.625 180 2HB MET 28 HB1 MET 28 2.966 4.728 3.229 181 1HG MET 28 HG2 MET 28 1.441 6.620 2.449 182 2HG MET 28 HG1 MET 28 2.194 7.613 3.696 183 1HE MET 28 HE2 MET 28 2.859 9.206 2.605 184 2HE MET 28 HE1 MET 28 4.525 9.340 2.048 185 3HE MET 28 HE3 MET 28 3.208 9.161 0.879 186 H VAL 29 HN VAL 29 1.891 2.746 3.737 187 HA VAL 29 HA VAL 29 0.361 2.455 1.418 188 HB VAL 29 HB VAL 29 2.067 0.833 2.938 189 1HG1 VAL 29 HG13 VAL 29 -0.693 -0.444 2.788 190 2HG1 VAL 29 HG12 VAL 29 0.797 -1.339 3.088 191 3HG1 VAL 29 HG11 VAL 29 0.249 -0.127 4.244 192 1HG2 VAL 29 HG22 VAL 29 1.555 1.084 0.382 193 2HG2 VAL 29 HG21 VAL 29 2.173 -0.456 0.979 194 3HG2 VAL 29 HG23 VAL 29 0.453 -0.269 0.639 195 H VAL 30 HN VAL 30 -0.599 1.479 4.737 196 HA VAL 30 HA VAL 30 -3.264 0.685 3.979 197 HB VAL 30 HB VAL 30 -1.950 1.381 6.610 198 1HG1 VAL 30 HG12 VAL 30 -4.848 1.092 5.978 199 2HG1 VAL 30 HG11 VAL 30 -4.263 0.247 7.411 200 3HG1 VAL 30 HG13 VAL 30 -4.065 1.994 7.275 201 1HG2 VAL 30 HG22 VAL 30 -3.047 -1.139 5.335 202 2HG2 VAL 30 HG21 VAL 30 -1.363 -0.778 5.710 203 3HG2 VAL 30 HG23 VAL 30 -2.517 -1.053 7.014 204 H VAL 31 HN VAL 31 -1.811 3.762 4.686 205 HA VAL 31 HA VAL 31 -4.120 5.217 5.466 206 HB VAL 31 HB VAL 31 -1.657 6.096 3.935 207 1HG1 VAL 31 HG13 VAL 31 -4.143 7.516 4.677 208 2HG1 VAL 31 HG12 VAL 31 -2.651 8.343 5.122 209 3HG1 VAL 31 HG11 VAL 31 -2.950 7.908 3.438 210 1HG2 VAL 31 HG21 VAL 31 -2.053 5.351 6.611 211 2HG2 VAL 31 HG23 VAL 31 -0.681 6.252 5.969 212 3HG2 VAL 31 HG22 VAL 31 -2.067 7.114 6.632 213 H ILE 32 HN ILE 32 -2.653 4.952 2.193 214 HA ILE 32 HA ILE 32 -4.826 6.230 0.877 215 HB ILE 32 HB ILE 32 -2.767 5.933 -0.229 216 1HG1 ILE 32 HG12 ILE 32 -4.631 4.124 -1.704 217 2HG1 ILE 32 HG11 ILE 32 -5.002 5.834 -1.494 218 1HG2 ILE 32 HG22 ILE 32 -2.253 3.713 0.892 219 2HG2 ILE 32 HG21 ILE 32 -3.247 2.981 -0.365 220 3HG2 ILE 32 HG23 ILE 32 -1.775 3.851 -0.797 221 1HD1 ILE 32 HD12 ILE 32 -2.251 5.379 -2.389 222 2HD1 ILE 32 HD11 ILE 32 -3.449 4.766 -3.528 223 3HD1 ILE 32 HD13 ILE 32 -3.478 6.462 -3.045 224 H VAL 33 HN VAL 33 -4.151 2.716 1.255 225 HA VAL 33 HA VAL 33 -6.451 1.840 -0.095 226 HB VAL 33 HB VAL 33 -5.471 0.654 2.528 227 1HG1 VAL 33 HG11 VAL 33 -7.645 -0.105 1.279 228 2HG1 VAL 33 HG13 VAL 33 -6.521 -0.837 0.133 229 3HG1 VAL 33 HG12 VAL 33 -6.502 -1.331 1.827 230 1HG2 VAL 33 HG23 VAL 33 -4.114 0.973 -0.019 231 2HG2 VAL 33 HG22 VAL 33 -3.497 0.301 1.491 232 3HG2 VAL 33 HG21 VAL 33 -4.354 -0.735 0.349 233 H GLY 34 HN GLY 34 -6.174 3.572 2.885 234 1HA GLY 34 HA2 GLY 34 -8.854 2.955 3.851 235 2HA GLY 34 HA1 GLY 34 -7.864 4.336 4.353 236 H ALA 35 HN ALA 35 -7.355 5.602 2.013 237 HA ALA 35 HA ALA 35 -9.779 7.029 1.468 238 1HB ALA 35 HB3 ALA 35 -6.975 7.113 0.579 239 2HB ALA 35 HB2 ALA 35 -8.130 7.637 -0.646 240 3HB ALA 35 HB1 ALA 35 -8.085 8.438 0.925 241 H THR 36 HN THR 36 -7.888 4.716 -0.643 242 HA THR 36 HA THR 36 -9.765 4.780 -2.790 243 HB THR 36 HB THR 36 -8.244 2.294 -2.012 244 HG1 THR 36 HG1 THR 36 -6.870 3.948 -3.632 245 1HG2 THR 36 HG21 THR 36 -9.028 3.602 -4.631 246 2HG2 THR 36 HG23 THR 36 -7.990 2.180 -4.510 247 3HG2 THR 36 HG22 THR 36 -9.666 2.098 -3.966 248 H ILE 37 HN ILE 37 -9.437 2.138 -0.393 249 HA ILE 37 HA ILE 37 -11.950 0.916 -1.007 250 HB ILE 37 HB ILE 37 -10.421 0.898 1.599 251 1HG1 ILE 37 HG12 ILE 37 -9.138 0.222 -0.486 252 2HG1 ILE 37 HG11 ILE 37 -9.277 -1.044 0.734 253 1HG2 ILE 37 HG21 ILE 37 -12.821 -0.508 0.581 254 2HG2 ILE 37 HG23 ILE 37 -11.612 -1.549 1.333 255 3HG2 ILE 37 HG22 ILE 37 -12.313 -0.211 2.244 256 1HD1 ILE 37 HD11 ILE 37 -11.499 -0.966 -1.209 257 2HD1 ILE 37 HD13 ILE 37 -9.930 -1.378 -1.902 258 3HD1 ILE 37 HD12 ILE 37 -10.595 -2.347 -0.587 259 H GLY 38 HN GLY 38 -11.260 3.776 0.666 260 1HA GLY 38 HA2 GLY 38 -13.537 3.768 2.467 261 2HA GLY 38 HA1 GLY 38 -12.533 5.170 2.080 262 H ILE 39 HN ILE 39 -12.818 5.938 -0.273 263 HA ILE 39 HA ILE 39 -15.524 6.686 -0.681 264 HB ILE 39 HB ILE 39 -13.281 6.559 -2.715 265 1HG1 ILE 39 HG12 ILE 39 -12.731 7.801 -0.591 266 2HG1 ILE 39 HG11 ILE 39 -12.727 8.813 -2.036 267 1HG2 ILE 39 HG23 ILE 39 -15.995 7.821 -2.617 268 2HG2 ILE 39 HG22 ILE 39 -14.702 8.678 -3.455 269 3HG2 ILE 39 HG21 ILE 39 -15.166 7.058 -3.974 270 1HD1 ILE 39 HD12 ILE 39 -15.146 8.524 -0.244 271 2HD1 ILE 39 HD11 ILE 39 -13.942 9.795 -0.033 272 3HD1 ILE 39 HD13 ILE 39 -14.886 9.714 -1.520 273 H LYS 40 HN LYS 40 -13.806 3.770 -1.315 274 HA LYS 40 HA LYS 40 -15.405 2.909 -3.607 275 1HB LYS 40 HB2 LYS 40 -13.112 2.007 -2.899 276 2HB LYS 40 HB1 LYS 40 -13.970 1.096 -1.658 277 1HG LYS 40 HG2 LYS 40 -15.391 0.070 -3.423 278 2HG LYS 40 HG1 LYS 40 -14.457 0.933 -4.646 279 1HD LYS 40 HD2 LYS 40 -12.422 -0.225 -3.979 280 2HD LYS 40 HD1 LYS 40 -13.269 -1.007 -2.644 281 1HE LYS 40 HE2 LYS 40 -13.728 -2.699 -4.064 282 2HE LYS 40 HE1 LYS 40 -14.830 -1.595 -4.886 283 1HZ LYS 40 HZ1 LYS 40 -12.731 -0.798 -6.088 284 2HZ LYS 40 HZ3 LYS 40 -12.032 -2.249 -5.555 285 3HZ LYS 40 HZ2 LYS 40 -13.405 -2.286 -6.556 286 H LEU 41 HN LEU 41 -15.305 1.358 -0.383 287 HA LEU 41 HA LEU 41 -17.796 0.068 -0.574 288 1HB LEU 41 HB2 LEU 41 -15.974 0.845 1.620 289 2HB LEU 41 HB1 LEU 41 -17.654 0.609 2.103 290 HG LEU 41 HG LEU 41 -16.223 -1.406 0.373 291 1HD1 LEU 41 HD13 LEU 41 -15.846 -0.819 3.233 292 2HD1 LEU 41 HD12 LEU 41 -16.275 -2.497 2.904 293 3HD1 LEU 41 HD11 LEU 41 -14.852 -1.786 2.143 294 1HD2 LEU 41 HD23 LEU 41 -18.864 -1.085 1.391 295 2HD2 LEU 41 HD22 LEU 41 -18.216 -2.456 0.491 296 3HD2 LEU 41 HD21 LEU 41 -18.138 -2.442 2.253 297 H PHE 42 HN PHE 42 -17.073 3.393 0.345 298 HA PHE 42 HA PHE 42 -19.776 3.956 1.265 299 1HB PHE 42 HB2 PHE 42 -17.238 5.366 1.074 300 2HB PHE 42 HB1 PHE 42 -18.582 6.386 0.558 301 HD1 PHE 42 HD1 PHE 42 -18.990 3.614 2.962 302 HD2 PHE 42 HD2 PHE 42 -18.514 7.857 2.496 303 HE1 PHE 42 HE1 PHE 42 -19.649 3.947 5.329 304 HE2 PHE 42 HE2 PHE 42 -19.174 8.191 4.863 305 HZ PHE 42 HZ PHE 42 -19.742 6.236 6.279 306 H LYS 43 HN LYS 43 -18.014 5.439 -1.477 307 HA LYS 43 HA LYS 43 -20.552 5.991 -2.827 308 1HB LYS 43 HB2 LYS 43 -17.837 6.933 -2.993 309 2HB LYS 43 HB1 LYS 43 -18.388 6.445 -4.597 310 1HG LYS 43 HG2 LYS 43 -20.397 7.839 -4.352 311 2HG LYS 43 HG1 LYS 43 -19.886 8.306 -2.730 312 1HD LYS 43 HD2 LYS 43 -18.595 9.941 -3.573 313 2HD LYS 43 HD1 LYS 43 -17.719 8.770 -4.560 314 1HE LYS 43 HE2 LYS 43 -20.406 9.379 -5.581 315 2HE LYS 43 HE1 LYS 43 -19.330 10.776 -5.552 316 1HZ LYS 43 HZ3 LYS 43 -18.398 8.190 -6.615 317 2HZ LYS 43 HZ2 LYS 43 -19.304 9.244 -7.592 318 3HZ LYS 43 HZ1 LYS 43 -17.818 9.749 -6.943 319 H LYS 44 HN LYS 44 -19.653 3.106 -2.449 320 HA LYS 44 HA LYS 44 -18.867 2.080 -5.012 321 1HB LYS 44 HB2 LYS 44 -19.242 1.013 -2.466 322 2HB LYS 44 HB1 LYS 44 -20.515 0.261 -3.424 323 1HG LYS 44 HG2 LYS 44 -18.895 -0.507 -5.071 324 2HG LYS 44 HG1 LYS 44 -17.598 0.350 -4.237 325 1HD LYS 44 HD2 LYS 44 -17.777 -1.083 -2.313 326 2HD LYS 44 HD1 LYS 44 -19.260 -1.814 -2.926 327 1HE LYS 44 HE2 LYS 44 -16.574 -1.992 -4.319 328 2HE LYS 44 HE1 LYS 44 -17.237 -3.251 -3.278 329 1HZ LYS 44 HZ1 LYS 44 -19.268 -2.690 -4.991 330 2HZ LYS 44 HZ3 LYS 44 -17.898 -2.590 -5.985 331 3HZ LYS 44 HZ2 LYS 44 -18.208 -4.013 -5.109 332 H PHE 45 HN PHE 45 -21.962 2.829 -3.513 333 HA PHE 45 HA PHE 45 -23.371 3.271 -5.894 334 1HB PHE 45 HB2 PHE 45 -24.728 1.145 -6.062 335 2HB PHE 45 HB1 PHE 45 -23.044 0.967 -6.545 336 HD1 PHE 45 HD2 PHE 45 -25.482 0.346 -3.820 337 HD2 PHE 45 HD1 PHE 45 -21.520 -0.412 -5.299 338 HE1 PHE 45 HE2 PHE 45 -25.182 -1.419 -2.106 339 HE2 PHE 45 HE1 PHE 45 -21.221 -2.181 -3.585 340 HZ PHE 45 HZ PHE 45 -23.052 -2.684 -1.988 341 H THR 46 HN THR 46 -23.259 4.149 -3.139 342 HA THR 46 HA THR 46 -24.839 5.063 -1.646 343 HB THR 46 HB THR 46 -27.137 3.554 -2.755 344 HG1 THR 46 HG1 THR 46 -27.121 4.635 -4.672 345 1HG2 THR 46 HG22 THR 46 -26.469 6.339 -1.860 346 2HG2 THR 46 HG21 THR 46 -27.896 6.067 -2.861 347 3HG2 THR 46 HG23 THR 46 -27.750 5.265 -1.297 348 H SER 47 HN SER 47 -23.581 2.249 -1.605 349 HA SER 47 HA SER 47 -25.398 0.526 -0.195 350 1HB SER 47 HB2 SER 47 -22.975 0.138 -1.294 351 2HB SER 47 HB1 SER 47 -22.479 0.364 0.381 352 HG SER 47 HG SER 47 -24.427 -1.188 0.675 353 H LYS 48 HN LYS 48 -23.219 3.102 0.818 354 HA LYS 48 HA LYS 48 -24.330 2.806 3.574 355 1HB LYS 48 HB2 LYS 48 -21.469 3.574 2.929 356 2HB LYS 48 HB1 LYS 48 -22.161 3.320 4.530 357 1HG LYS 48 HG2 LYS 48 -22.218 1.132 2.456 358 2HG LYS 48 HG1 LYS 48 -20.803 1.375 3.481 359 1HD LYS 48 HD2 LYS 48 -22.932 1.484 5.270 360 2HD LYS 48 HD1 LYS 48 -23.393 0.202 4.152 361 1HE LYS 48 HE2 LYS 48 -20.837 -0.501 4.495 362 2HE LYS 48 HE1 LYS 48 -21.075 0.337 6.029 363 1HZ LYS 48 HZ1 LYS 48 -23.285 -1.104 5.949 364 2HZ LYS 48 HZ3 LYS 48 -22.275 -2.129 5.051 365 3HZ LYS 48 HZ2 LYS 48 -21.840 -1.682 6.632 366 H ALA 49 HN ALA 49 -22.542 5.014 1.391 367 HA ALA 49 HA ALA 49 -24.438 7.140 1.717 368 1HB ALA 49 HB3 ALA 49 -22.083 7.069 3.572 369 2HB ALA 49 HB2 ALA 49 -22.625 8.628 2.950 370 3HB ALA 49 HB1 ALA 49 -23.732 7.617 3.879 371 H SER 50 HN SER 50 -23.718 6.522 -0.627 372 HA SER 50 HA SER 50 -21.156 7.379 -1.596 373 1HB SER 50 HB2 SER 50 -22.231 7.323 -3.825 374 2HB SER 50 HB1 SER 50 -22.617 5.882 -2.893 375 HG SER 50 HG SER 50 -24.458 7.595 -2.251 No H/Q in entry = 375 Start of MODEL 6 1 1H ALA 1 HT2 ALA 1 -8.606 13.089 -0.428 2 2H ALA 1 HT1 ALA 1 -8.521 13.755 1.134 3 3H ALA 1 HT3 ALA 1 -9.643 12.529 0.796 4 HA ALA 1 HA ALA 1 -11.150 14.061 0.324 5 1HB ALA 1 HB1 ALA 1 -8.769 15.858 0.744 6 2HB ALA 1 HB3 ALA 1 -10.307 16.528 0.202 7 3HB ALA 1 HB2 ALA 1 -10.210 15.681 1.746 8 H GLU 2 HN GLU 2 -11.943 13.810 -1.711 9 HA GLU 2 HA GLU 2 -12.158 14.037 -4.035 10 1HB GLU 2 HB2 GLU 2 -10.354 16.324 -3.297 11 2HB GLU 2 HB1 GLU 2 -10.629 15.954 -5.001 12 1HG GLU 2 HG2 GLU 2 -13.175 15.831 -3.868 13 2HG GLU 2 HG1 GLU 2 -12.421 17.215 -3.076 14 H GLY 3 HN GLY 3 -10.475 14.276 -6.097 15 1HA GLY 3 HA2 GLY 3 -8.069 13.596 -6.629 16 2HA GLY 3 HA1 GLY 3 -8.351 12.247 -5.527 17 H ASP 4 HN ASP 4 -10.378 13.663 -8.108 18 HA ASP 4 HA ASP 4 -11.578 12.565 -9.808 19 1HB ASP 4 HB2 ASP 4 -8.962 12.420 -10.378 20 2HB ASP 4 HB1 ASP 4 -9.286 10.694 -10.204 21 H ASP 5 HN ASP 5 -12.769 11.628 -7.787 22 HA ASP 5 HA ASP 5 -13.703 9.076 -8.250 23 1HB ASP 5 HB2 ASP 5 -11.017 8.982 -7.128 24 2HB ASP 5 HB1 ASP 5 -12.178 8.151 -6.092 25 HA PRO 6 HA PRO 6 -16.073 10.187 -4.731 26 1HB PRO 6 HB2 PRO 6 -17.140 7.747 -4.055 27 2HB PRO 6 HB1 PRO 6 -17.661 8.686 -5.467 28 1HG PRO 6 HG2 PRO 6 -15.969 6.223 -5.378 29 2HG PRO 6 HG1 PRO 6 -16.989 6.834 -6.693 30 1HD PRO 6 HD2 PRO 6 -14.159 7.076 -6.521 31 2HD PRO 6 HD1 PRO 6 -15.217 7.921 -7.670 32 H ALA 7 HN ALA 7 -13.727 10.397 -3.651 33 HA ALA 7 HA ALA 7 -12.584 10.208 -1.612 34 1HB ALA 7 HB3 ALA 7 -15.010 9.868 -0.779 35 2HB ALA 7 HB2 ALA 7 -14.613 8.150 -0.758 36 3HB ALA 7 HB1 ALA 7 -13.702 9.278 0.245 37 H LYS 8 HN LYS 8 -11.814 8.643 -3.850 38 HA LYS 8 HA LYS 8 -11.481 5.876 -3.344 39 1HB LYS 8 HB2 LYS 8 -10.917 6.703 -5.521 40 2HB LYS 8 HB1 LYS 8 -9.764 7.859 -4.855 41 1HG LYS 8 HG2 LYS 8 -8.371 5.971 -4.037 42 2HG LYS 8 HG1 LYS 8 -9.504 4.839 -4.777 43 1HD LYS 8 HD2 LYS 8 -7.597 5.210 -6.273 44 2HD LYS 8 HD1 LYS 8 -9.066 5.874 -6.990 45 1HE LYS 8 HE2 LYS 8 -7.948 7.926 -5.380 46 2HE LYS 8 HE1 LYS 8 -6.622 7.240 -6.322 47 1HZ LYS 8 HZ3 LYS 8 -9.221 8.138 -7.441 48 2HZ LYS 8 HZ2 LYS 8 -7.776 9.029 -7.500 49 3HZ LYS 8 HZ1 LYS 8 -7.900 7.548 -8.324 50 H ALA 9 HN ALA 9 -9.413 8.631 -2.426 51 HA ALA 9 HA ALA 9 -7.249 7.310 -1.290 52 1HB ALA 9 HB3 ALA 9 -8.491 9.906 -1.008 53 2HB ALA 9 HB2 ALA 9 -7.898 9.342 0.555 54 3HB ALA 9 HB1 ALA 9 -6.795 9.463 -0.816 55 H ALA 10 HN ALA 10 -10.329 8.080 0.380 56 HA ALA 10 HA ALA 10 -9.623 6.720 2.799 57 1HB ALA 10 HB2 ALA 10 -11.567 8.363 2.393 58 2HB ALA 10 HB1 ALA 10 -12.449 6.963 1.787 59 3HB ALA 10 HB3 ALA 10 -11.873 6.987 3.453 60 H PHE 11 HN PHE 11 -11.461 5.632 -0.078 61 HA PHE 11 HA PHE 11 -12.275 3.111 0.712 62 1HB PHE 11 HB2 PHE 11 -11.827 4.372 -1.763 63 2HB PHE 11 HB1 PHE 11 -10.913 2.864 -1.836 64 HD1 PHE 11 HD2 PHE 11 -14.274 4.266 -1.015 65 HD2 PHE 11 HD1 PHE 11 -12.014 0.783 -2.121 66 HE1 PHE 11 HE2 PHE 11 -16.382 3.005 -1.345 67 HE2 PHE 11 HE1 PHE 11 -14.126 -0.478 -2.450 68 HZ PHE 11 HZ PHE 11 -16.308 0.633 -2.062 69 H ASP 12 HN ASP 12 -8.977 4.088 -0.164 70 HA ASP 12 HA ASP 12 -7.858 1.438 0.191 71 1HB ASP 12 HB2 ASP 12 -6.881 4.139 -0.415 72 2HB ASP 12 HB1 ASP 12 -5.786 3.232 0.629 73 H SER 13 HN SER 13 -8.155 4.338 2.222 74 HA SER 13 HA SER 13 -6.786 3.166 4.491 75 1HB SER 13 HB2 SER 13 -8.198 5.673 3.878 76 2HB SER 13 HB1 SER 13 -8.383 5.145 5.547 77 HG SER 13 HG SER 13 -6.050 4.899 5.549 78 H LEU 14 HN LEU 14 -10.193 4.285 4.462 79 HA LEU 14 HA LEU 14 -11.159 2.811 6.575 80 1HB LEU 14 HB2 LEU 14 -13.366 2.835 5.511 81 2HB LEU 14 HB1 LEU 14 -12.541 4.365 5.214 82 HG LEU 14 HG LEU 14 -11.695 2.986 3.057 83 1HD1 LEU 14 HD12 LEU 14 -13.024 0.984 3.726 84 2HD1 LEU 14 HD11 LEU 14 -14.492 1.953 3.606 85 3HD1 LEU 14 HD13 LEU 14 -13.525 1.635 2.166 86 1HD2 LEU 14 HD23 LEU 14 -12.891 5.202 3.176 87 2HD2 LEU 14 HD22 LEU 14 -13.361 4.209 1.796 88 3HD2 LEU 14 HD21 LEU 14 -14.414 4.314 3.206 89 H GLN 15 HN GLN 15 -10.549 1.532 3.304 90 HA GLN 15 HA GLN 15 -11.745 -1.029 3.726 91 1HB GLN 15 HB2 GLN 15 -11.116 -0.302 1.488 92 2HB GLN 15 HB1 GLN 15 -9.417 -0.229 1.957 93 1HG GLN 15 HG2 GLN 15 -9.510 -2.321 0.937 94 2HG GLN 15 HG1 GLN 15 -9.796 -2.750 2.623 95 1HE2 GLN 15 HE22 GLN 15 -13.315 -3.418 2.093 96 2HE2 GLN 15 HE21 GLN 15 -12.240 -2.796 3.252 97 H ALA 16 HN ALA 16 -8.294 -0.068 3.997 98 HA ALA 16 HA ALA 16 -7.672 -2.587 5.308 99 1HB ALA 16 HB1 ALA 16 -6.137 -0.205 4.429 100 2HB ALA 16 HB3 ALA 16 -5.446 -1.168 5.735 101 3HB ALA 16 HB2 ALA 16 -5.790 -1.916 4.176 102 H SER 17 HN SER 17 -9.307 -0.072 6.388 103 HA SER 17 HA SER 17 -8.005 0.294 8.986 104 1HB SER 17 HB2 SER 17 -9.794 1.797 7.479 105 2HB SER 17 HB1 SER 17 -10.778 1.194 8.808 106 HG SER 17 HG SER 17 -8.527 2.862 8.828 107 H ALA 18 HN ALA 18 -8.627 -2.462 8.500 108 HA ALA 18 HA ALA 18 -9.756 -4.247 9.550 109 1HB ALA 18 HB1 ALA 18 -8.931 -2.770 11.537 110 2HB ALA 18 HB3 ALA 18 -10.644 -2.403 11.713 111 3HB ALA 18 HB2 ALA 18 -10.083 -4.071 11.828 112 H THR 19 HN THR 19 -11.247 -2.380 7.755 113 HA THR 19 HA THR 19 -13.960 -2.457 8.918 114 HB THR 19 HB THR 19 -13.096 -0.531 7.461 115 HG1 THR 19 HG1 THR 19 -15.110 -0.345 6.446 116 1HG2 THR 19 HG23 THR 19 -12.073 -2.159 5.772 117 2HG2 THR 19 HG22 THR 19 -13.715 -2.414 5.185 118 3HG2 THR 19 HG21 THR 19 -12.990 -0.812 5.102 119 H GLU 20 HN GLU 20 -14.871 -4.451 8.915 120 HA GLU 20 HA GLU 20 -15.915 -6.307 7.869 121 1HB GLU 20 HB2 GLU 20 -14.197 -5.828 5.456 122 2HB GLU 20 HB1 GLU 20 -15.657 -6.801 5.553 123 1HG GLU 20 HG2 GLU 20 -15.445 -3.791 5.725 124 2HG GLU 20 HG1 GLU 20 -16.331 -4.746 4.537 125 H TYR 21 HN TYR 21 -12.643 -5.961 6.974 126 HA TYR 21 HA TYR 21 -11.913 -8.410 8.380 127 1HB TYR 21 HB2 TYR 21 -10.338 -8.313 6.108 128 2HB TYR 21 HB1 TYR 21 -11.597 -9.487 6.406 129 HD1 TYR 21 HD2 TYR 21 -14.028 -8.726 5.713 130 HD2 TYR 21 HD1 TYR 21 -10.422 -6.873 4.293 131 HE1 TYR 21 HE2 TYR 21 -15.266 -7.772 3.780 132 HE2 TYR 21 HE1 TYR 21 -11.663 -5.928 2.367 133 HH TYR 21 HH TYR 21 -14.874 -6.918 1.585 134 H ILE 22 HN ILE 22 -10.886 -5.673 6.429 135 HA ILE 22 HA ILE 22 -9.502 -3.923 7.735 136 HB ILE 22 HB ILE 22 -8.571 -5.573 9.362 137 1HG1 ILE 22 HG12 ILE 22 -6.060 -4.790 8.215 138 2HG1 ILE 22 HG11 ILE 22 -7.214 -3.497 8.020 139 1HG2 ILE 22 HG23 ILE 22 -8.169 -7.163 7.182 140 2HG2 ILE 22 HG22 ILE 22 -6.544 -6.525 7.436 141 3HG2 ILE 22 HG21 ILE 22 -7.363 -7.398 8.733 142 1HD1 ILE 22 HD13 ILE 22 -7.071 -4.874 10.663 143 2HD1 ILE 22 HD12 ILE 22 -5.798 -3.726 10.249 144 3HD1 ILE 22 HD11 ILE 22 -7.480 -3.199 10.297 145 H GLY 23 HN GLY 23 -10.089 -4.805 5.000 146 1HA GLY 23 HA2 GLY 23 -9.113 -4.720 2.853 147 2HA GLY 23 HA1 GLY 23 -8.069 -3.483 3.569 148 H TYR 24 HN TYR 24 -8.189 -6.639 4.941 149 HA TYR 24 HA TYR 24 -6.392 -8.024 5.474 150 1HB TYR 24 HB2 TYR 24 -7.416 -8.502 2.973 151 2HB TYR 24 HB1 TYR 24 -5.675 -8.410 2.671 152 HD1 TYR 24 HD1 TYR 24 -7.749 -9.568 5.570 153 HD2 TYR 24 HD2 TYR 24 -4.716 -10.528 2.691 154 HE1 TYR 24 HE1 TYR 24 -7.408 -11.760 6.662 155 HE2 TYR 24 HE2 TYR 24 -4.376 -12.722 3.777 156 HH TYR 24 HH TYR 24 -4.830 -13.956 5.617 157 H ALA 25 HN ALA 25 -5.508 -5.482 5.752 158 HA ALA 25 HA ALA 25 -2.779 -5.594 4.540 159 1HB ALA 25 HB1 ALA 25 -4.712 -3.420 4.768 160 2HB ALA 25 HB3 ALA 25 -3.176 -3.004 5.528 161 3HB ALA 25 HB2 ALA 25 -3.219 -3.488 3.832 162 H TRP 26 HN TRP 26 -4.721 -5.541 7.378 163 HA TRP 26 HA TRP 26 -3.192 -4.503 9.399 164 1HB TRP 26 HB2 TRP 26 -4.399 -5.843 10.851 165 2HB TRP 26 HB1 TRP 26 -5.388 -6.002 9.408 166 HD1 TRP 26 HD1 TRP 26 -3.964 -8.042 11.971 167 HE1 TRP 26 HE1 TRP 26 -3.707 -10.477 11.253 168 HE3 TRP 26 HE3 TRP 26 -4.462 -7.572 6.894 169 HZ2 TRP 26 HZ2 TRP 26 -3.690 -12.047 8.884 170 HZ3 TRP 26 HZ3 TRP 26 -4.316 -9.568 5.442 171 HH2 TRP 26 HH2 TRP 26 -3.926 -11.805 6.434 172 H ALA 27 HN ALA 27 -2.371 -7.290 7.464 173 HA ALA 27 HA ALA 27 0.137 -7.516 9.035 174 1HB ALA 27 HB2 ALA 27 -1.455 -9.765 7.779 175 2HB ALA 27 HB1 ALA 27 0.124 -9.951 8.541 176 3HB ALA 27 HB3 ALA 27 -1.269 -9.463 9.506 177 H MET 28 HN MET 28 -1.147 -8.831 5.978 178 HA MET 28 HA MET 28 1.154 -8.986 4.546 179 1HB MET 28 HB2 MET 28 -1.641 -8.893 3.941 180 2HB MET 28 HB1 MET 28 -0.758 -7.943 2.744 181 1HG MET 28 HG2 MET 28 0.873 -9.983 2.695 182 2HG MET 28 HG1 MET 28 -0.476 -10.860 3.418 183 1HE MET 28 HE3 MET 28 -2.175 -11.947 2.236 184 2HE MET 28 HE2 MET 28 -2.116 -12.150 0.487 185 3HE MET 28 HE1 MET 28 -0.695 -12.526 1.456 186 H VAL 29 HN VAL 29 -0.564 -6.060 5.414 187 HA VAL 29 HA VAL 29 0.696 -4.342 3.479 188 HB VAL 29 HB VAL 29 -1.370 -3.964 5.127 189 1HG1 VAL 29 HG12 VAL 29 0.083 -4.041 7.172 190 2HG1 VAL 29 HG11 VAL 29 0.908 -2.593 6.599 191 3HG1 VAL 29 HG13 VAL 29 -0.805 -2.527 7.015 192 1HG2 VAL 29 HG22 VAL 29 0.526 -2.124 3.774 193 2HG2 VAL 29 HG21 VAL 29 -1.219 -2.291 3.574 194 3HG2 VAL 29 HG23 VAL 29 -0.570 -1.374 4.934 195 H VAL 30 HN VAL 30 1.535 -5.153 6.849 196 HA VAL 30 HA VAL 30 3.880 -3.458 6.889 197 HB VAL 30 HB VAL 30 3.364 -5.882 8.631 198 1HG1 VAL 30 HG12 VAL 30 5.581 -4.427 8.550 199 2HG1 VAL 30 HG11 VAL 30 4.619 -3.311 9.518 200 3HG1 VAL 30 HG13 VAL 30 4.907 -4.953 10.092 201 1HG2 VAL 30 HG21 VAL 30 1.391 -4.278 8.481 202 2HG2 VAL 30 HG23 VAL 30 2.067 -4.483 10.096 203 3HG2 VAL 30 HG22 VAL 30 2.449 -3.040 9.156 204 H VAL 31 HN VAL 31 3.562 -7.031 6.825 205 HA VAL 31 HA VAL 31 6.232 -7.695 6.403 206 HB VAL 31 HB VAL 31 3.749 -8.962 5.219 207 1HG1 VAL 31 HG13 VAL 31 6.607 -9.529 4.840 208 2HG1 VAL 31 HG12 VAL 31 5.693 -10.921 5.421 209 3HG1 VAL 31 HG11 VAL 31 5.217 -10.115 3.927 210 1HG2 VAL 31 HG21 VAL 31 4.309 -8.780 7.806 211 2HG2 VAL 31 HG23 VAL 31 3.693 -10.288 7.129 212 3HG2 VAL 31 HG22 VAL 31 5.419 -10.098 7.436 213 H ILE 32 HN ILE 32 3.815 -7.062 3.830 214 HA ILE 32 HA ILE 32 5.669 -7.265 1.697 215 HB ILE 32 HB ILE 32 3.006 -6.825 1.849 216 1HG1 ILE 32 HG12 ILE 32 4.147 -7.955 0.032 217 2HG1 ILE 32 HG11 ILE 32 3.072 -6.718 -0.625 218 1HG2 ILE 32 HG23 ILE 32 4.230 -4.254 0.893 219 2HG2 ILE 32 HG22 ILE 32 2.564 -4.720 0.558 220 3HG2 ILE 32 HG21 ILE 32 3.085 -4.454 2.220 221 1HD1 ILE 32 HD11 ILE 32 5.904 -5.979 0.019 222 2HD1 ILE 32 HD13 ILE 32 5.572 -6.879 -1.460 223 3HD1 ILE 32 HD12 ILE 32 4.823 -5.305 -1.199 224 H VAL 33 HN VAL 33 4.528 -4.287 3.368 225 HA VAL 33 HA VAL 33 6.077 -2.443 2.000 226 HB VAL 33 HB VAL 33 5.485 -2.638 4.969 227 1HG1 VAL 33 HG11 VAL 33 7.467 -0.980 3.646 228 2HG1 VAL 33 HG13 VAL 33 6.199 0.015 4.364 229 3HG1 VAL 33 HG12 VAL 33 7.105 -1.119 5.366 230 1HG2 VAL 33 HG21 VAL 33 3.870 -2.001 2.884 231 2HG2 VAL 33 HG23 VAL 33 3.676 -1.312 4.496 232 3HG2 VAL 33 HG22 VAL 33 4.536 -0.409 3.249 233 H GLY 34 HN GLY 34 7.172 -4.968 4.136 234 1HA GLY 34 HA2 GLY 34 9.877 -3.971 4.440 235 2HA GLY 34 HA1 GLY 34 9.377 -5.663 4.619 236 H ALA 35 HN ALA 35 8.336 -6.358 2.301 237 HA ALA 35 HA ALA 35 10.573 -6.665 0.531 238 1HB ALA 35 HB1 ALA 35 8.351 -8.077 0.829 239 2HB ALA 35 HB3 ALA 35 7.762 -7.011 -0.447 240 3HB ALA 35 HB2 ALA 35 9.177 -8.026 -0.729 241 H THR 36 HN THR 36 7.511 -4.683 0.095 242 HA THR 36 HA THR 36 8.307 -3.567 -2.394 243 HB THR 36 HB THR 36 6.537 -2.467 -0.197 244 HG1 THR 36 HG1 THR 36 5.090 -3.023 -2.171 245 1HG2 THR 36 HG22 THR 36 7.502 -1.267 -2.707 246 2HG2 THR 36 HG21 THR 36 5.749 -1.239 -2.514 247 3HG2 THR 36 HG23 THR 36 6.783 -0.496 -1.294 248 H ILE 37 HN ILE 37 8.393 -1.866 0.760 249 HA ILE 37 HA ILE 37 10.013 0.299 -0.112 250 HB ILE 37 HB ILE 37 9.858 -0.954 2.639 251 1HG1 ILE 37 HG12 ILE 37 7.648 -0.318 1.823 252 2HG1 ILE 37 HG11 ILE 37 8.170 0.866 3.021 253 1HG2 ILE 37 HG22 ILE 37 11.782 0.645 2.193 254 2HG2 ILE 37 HG21 ILE 37 10.574 1.891 1.878 255 3HG2 ILE 37 HG23 ILE 37 10.680 1.149 3.474 256 1HD1 ILE 37 HD11 ILE 37 9.100 2.199 1.008 257 2HD1 ILE 37 HD13 ILE 37 8.082 1.151 0.020 258 3HD1 ILE 37 HD12 ILE 37 7.352 2.191 1.244 259 H GLY 38 HN GLY 38 10.882 -2.954 0.520 260 1HA GLY 38 HA2 GLY 38 13.670 -2.484 1.176 261 2HA GLY 38 HA1 GLY 38 12.968 -4.040 0.719 262 H ILE 39 HN ILE 39 12.257 -4.111 -1.663 263 HA ILE 39 HA ILE 39 14.527 -3.650 -3.320 264 HB ILE 39 HB ILE 39 12.636 -5.307 -3.743 265 1HG1 ILE 39 HG12 ILE 39 12.580 -4.186 -6.315 266 2HG1 ILE 39 HG11 ILE 39 14.102 -3.629 -5.617 267 1HG2 ILE 39 HG23 ILE 39 10.920 -3.373 -3.363 268 2HG2 ILE 39 HG22 ILE 39 11.227 -2.995 -5.057 269 3HG2 ILE 39 HG21 ILE 39 10.583 -4.574 -4.609 270 1HD1 ILE 39 HD12 ILE 39 14.672 -5.953 -5.006 271 2HD1 ILE 39 HD11 ILE 39 13.157 -6.509 -5.716 272 3HD1 ILE 39 HD13 ILE 39 14.404 -5.801 -6.742 273 H LYS 40 HN LYS 40 12.110 -1.542 -2.106 274 HA LYS 40 HA LYS 40 11.977 0.302 -4.337 275 1HB LYS 40 HB2 LYS 40 10.785 0.090 -1.808 276 2HB LYS 40 HB1 LYS 40 11.707 1.591 -1.747 277 1HG LYS 40 HG2 LYS 40 9.471 2.055 -2.609 278 2HG LYS 40 HG1 LYS 40 10.654 2.284 -3.897 279 1HD LYS 40 HD2 LYS 40 10.118 -0.315 -4.300 280 2HD LYS 40 HD1 LYS 40 8.580 0.170 -3.584 281 1HE LYS 40 HE2 LYS 40 8.835 2.203 -5.284 282 2HE LYS 40 HE1 LYS 40 9.829 1.037 -6.158 283 1HZ LYS 40 HZ3 LYS 40 7.446 -0.176 -5.214 284 2HZ LYS 40 HZ2 LYS 40 7.077 1.196 -6.145 285 3HZ LYS 40 HZ1 LYS 40 8.025 -0.051 -6.802 286 H LEU 41 HN LEU 41 13.586 0.846 -1.177 287 HA LEU 41 HA LEU 41 15.306 2.898 -2.277 288 1HB LEU 41 HB2 LEU 41 14.649 1.898 0.301 289 2HB LEU 41 HB1 LEU 41 16.400 1.777 0.132 290 HG LEU 41 HG LEU 41 15.820 3.978 1.021 291 1HD1 LEU 41 HD11 LEU 41 17.600 3.583 -0.875 292 2HD1 LEU 41 HD13 LEU 41 16.469 4.505 -1.865 293 3HD1 LEU 41 HD12 LEU 41 17.167 5.230 -0.416 294 1HD2 LEU 41 HD23 LEU 41 13.499 3.958 -0.015 295 2HD2 LEU 41 HD22 LEU 41 14.357 5.494 -0.142 296 3HD2 LEU 41 HD21 LEU 41 14.259 4.421 -1.538 297 H PHE 42 HN PHE 42 15.483 -0.535 -2.270 298 HA PHE 42 HA PHE 42 18.402 -0.688 -2.372 299 1HB PHE 42 HB2 PHE 42 16.446 -2.513 -1.823 300 2HB PHE 42 HB1 PHE 42 16.840 -2.933 -3.489 301 HD1 PHE 42 HD2 PHE 42 19.508 -2.847 -3.981 302 HD2 PHE 42 HD1 PHE 42 17.676 -3.576 -0.164 303 HE1 PHE 42 HE2 PHE 42 21.575 -3.979 -3.206 304 HE2 PHE 42 HE1 PHE 42 19.741 -4.708 0.611 305 HZ PHE 42 HZ PHE 42 21.690 -4.910 -0.909 306 H LYS 43 HN LYS 43 15.872 -1.436 -4.803 307 HA LYS 43 HA LYS 43 17.720 -1.490 -6.999 308 1HB LYS 43 HB2 LYS 43 14.995 -2.045 -6.623 309 2HB LYS 43 HB1 LYS 43 15.030 -0.720 -7.786 310 1HG LYS 43 HG2 LYS 43 15.352 -2.409 -9.291 311 2HG LYS 43 HG1 LYS 43 17.031 -2.267 -8.769 312 1HD LYS 43 HD2 LYS 43 16.362 -3.943 -6.899 313 2HD LYS 43 HD1 LYS 43 14.964 -4.286 -7.920 314 1HE LYS 43 HE2 LYS 43 16.569 -5.864 -8.630 315 2HE LYS 43 HE1 LYS 43 16.690 -4.578 -9.831 316 1HZ LYS 43 HZ2 LYS 43 18.401 -3.733 -7.948 317 2HZ LYS 43 HZ1 LYS 43 18.595 -5.417 -7.827 318 3HZ LYS 43 HZ3 LYS 43 18.853 -4.641 -9.312 319 H LYS 44 HN LYS 44 16.178 1.108 -5.305 320 HA LYS 44 HA LYS 44 16.226 3.072 -7.404 321 1HB LYS 44 HB2 LYS 44 15.086 3.148 -5.051 322 2HB LYS 44 HB1 LYS 44 16.646 3.764 -4.506 323 1HG LYS 44 HG2 LYS 44 16.525 5.543 -6.237 324 2HG LYS 44 HG1 LYS 44 14.929 4.951 -6.703 325 1HD LYS 44 HD2 LYS 44 13.921 5.740 -4.789 326 2HD LYS 44 HD1 LYS 44 15.380 5.543 -3.816 327 1HE LYS 44 HE2 LYS 44 16.388 7.503 -4.809 328 2HE LYS 44 HE1 LYS 44 15.069 7.648 -5.972 329 1HZ LYS 44 HZ1 LYS 44 13.636 7.722 -3.815 330 2HZ LYS 44 HZ3 LYS 44 15.086 8.230 -3.096 331 3HZ LYS 44 HZ2 LYS 44 14.415 9.125 -4.375 332 H PHE 45 HN PHE 45 18.685 1.552 -5.606 333 HA PHE 45 HA PHE 45 20.664 3.536 -5.355 334 1HB PHE 45 HB2 PHE 45 20.544 0.715 -5.173 335 2HB PHE 45 HB1 PHE 45 21.856 1.082 -6.295 336 HD1 PHE 45 HD1 PHE 45 20.475 2.518 -3.105 337 HD2 PHE 45 HD2 PHE 45 23.952 1.328 -5.329 338 HE1 PHE 45 HE1 PHE 45 21.919 3.184 -1.202 339 HE2 PHE 45 HE2 PHE 45 25.397 1.994 -3.426 340 HZ PHE 45 HZ PHE 45 24.380 2.922 -1.362 341 H THR 46 HN THR 46 20.102 1.403 -8.182 342 HA THR 46 HA THR 46 20.662 3.437 -10.030 343 HB THR 46 HB THR 46 22.797 1.378 -10.190 344 HG1 THR 46 HG1 THR 46 23.372 3.651 -8.712 345 1HG2 THR 46 HG21 THR 46 22.413 3.183 -11.904 346 2HG2 THR 46 HG23 THR 46 22.845 4.366 -10.669 347 3HG2 THR 46 HG22 THR 46 24.034 3.181 -11.209 348 H SER 47 HN SER 47 18.585 1.595 -9.783 349 HA SER 47 HA SER 47 19.108 -0.256 -12.079 350 1HB SER 47 HB2 SER 47 17.398 -0.523 -9.628 351 2HB SER 47 HB1 SER 47 16.957 -1.395 -11.091 352 HG SER 47 HG SER 47 19.318 -2.019 -11.026 353 H LYS 48 HN LYS 48 16.382 1.499 -10.535 354 HA LYS 48 HA LYS 48 15.356 2.025 -13.297 355 1HB LYS 48 HB2 LYS 48 13.115 2.100 -12.337 356 2HB LYS 48 HB1 LYS 48 13.888 0.584 -11.871 357 1HG LYS 48 HG2 LYS 48 13.620 1.100 -9.701 358 2HG LYS 48 HG1 LYS 48 14.570 2.570 -9.927 359 1HD LYS 48 HD2 LYS 48 12.721 3.839 -9.760 360 2HD LYS 48 HD1 LYS 48 11.951 2.939 -11.067 361 1HE LYS 48 HE2 LYS 48 11.840 1.169 -8.936 362 2HE LYS 48 HE1 LYS 48 11.542 2.732 -8.176 363 1HZ LYS 48 HZ1 LYS 48 10.007 2.980 -10.300 364 2HZ LYS 48 HZ3 LYS 48 9.953 1.291 -10.150 365 3HZ LYS 48 HZ2 LYS 48 9.451 2.274 -8.857 366 H ALA 49 HN ALA 49 16.372 3.411 -10.284 367 HA ALA 49 HA ALA 49 15.481 6.101 -11.243 368 1HB ALA 49 HB2 ALA 49 15.297 4.827 -8.676 369 2HB ALA 49 HB1 ALA 49 16.358 6.230 -8.539 370 3HB ALA 49 HB3 ALA 49 14.715 6.422 -9.151 371 H SER 50 HN SER 50 18.073 4.819 -9.121 372 HA SER 50 HA SER 50 20.391 5.205 -9.188 373 1HB SER 50 HB2 SER 50 19.993 6.529 -11.868 374 2HB SER 50 HB1 SER 50 21.424 5.699 -11.264 375 HG SER 50 HG SER 50 18.912 4.589 -11.987 No H/Q in entry = 375 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 -0.419 13.345 -2.228 2 2H ALA 1 HT3 ALA 1 0.664 14.610 -1.909 3 3H ALA 1 HT2 ALA 1 -0.124 13.824 -0.624 4 HA ALA 1 HA ALA 1 -1.520 15.562 -0.718 5 1HB ALA 1 HB1 ALA 1 -0.760 15.817 -3.645 6 2HB ALA 1 HB3 ALA 1 -1.790 16.943 -2.762 7 3HB ALA 1 HB2 ALA 1 -0.092 16.767 -2.319 8 H GLU 2 HN GLU 2 -3.695 15.196 -0.714 9 HA GLU 2 HA GLU 2 -5.797 14.386 -1.396 10 1HB GLU 2 HB2 GLU 2 -4.391 14.806 -3.813 11 2HB GLU 2 HB1 GLU 2 -5.103 13.196 -3.933 12 1HG GLU 2 HG2 GLU 2 -7.035 14.232 -4.479 13 2HG GLU 2 HG1 GLU 2 -7.126 14.726 -2.787 14 H GLY 3 HN GLY 3 -6.848 12.328 -1.358 15 1HA GLY 3 HA2 GLY 3 -6.990 9.981 -1.136 16 2HA GLY 3 HA1 GLY 3 -5.333 9.869 -1.732 17 H ASP 4 HN ASP 4 -6.394 11.806 1.031 18 HA ASP 4 HA ASP 4 -5.035 9.880 2.854 19 1HB ASP 4 HB2 ASP 4 -3.770 11.639 3.917 20 2HB ASP 4 HB1 ASP 4 -3.471 11.756 2.182 21 H ASP 5 HN ASP 5 -6.548 9.350 4.350 22 HA ASP 5 HA ASP 5 -7.945 11.433 5.839 23 1HB ASP 5 HB2 ASP 5 -9.277 9.985 3.633 24 2HB ASP 5 HB1 ASP 5 -10.167 9.988 5.157 25 HA PRO 6 HA PRO 6 -8.079 8.210 8.815 26 1HB PRO 6 HB2 PRO 6 -10.305 8.912 10.265 27 2HB PRO 6 HB1 PRO 6 -8.768 9.794 10.341 28 1HG PRO 6 HG2 PRO 6 -11.317 10.591 9.005 29 2HG PRO 6 HG1 PRO 6 -9.999 11.614 9.603 30 1HD PRO 6 HD2 PRO 6 -10.460 10.879 6.885 31 2HD PRO 6 HD1 PRO 6 -9.016 11.688 7.530 32 H ALA 7 HN ALA 7 -9.290 7.348 6.343 33 HA ALA 7 HA ALA 7 -10.876 5.146 7.277 34 1HB ALA 7 HB1 ALA 7 -12.280 7.590 6.349 35 2HB ALA 7 HB3 ALA 7 -12.861 6.068 5.673 36 3HB ALA 7 HB2 ALA 7 -12.842 6.307 7.419 37 H LYS 8 HN LYS 8 -10.493 7.246 4.394 38 HA LYS 8 HA LYS 8 -10.805 5.380 2.369 39 1HB LYS 8 HB2 LYS 8 -9.851 7.947 2.475 40 2HB LYS 8 HB1 LYS 8 -8.393 7.056 2.032 41 1HG LYS 8 HG2 LYS 8 -9.422 6.143 0.081 42 2HG LYS 8 HG1 LYS 8 -11.029 6.647 0.606 43 1HD LYS 8 HD2 LYS 8 -10.415 9.000 0.351 44 2HD LYS 8 HD1 LYS 8 -8.767 8.546 -0.082 45 1HE LYS 8 HE2 LYS 8 -9.422 7.649 -2.154 46 2HE LYS 8 HE1 LYS 8 -11.103 7.474 -1.651 47 1HZ LYS 8 HZ2 LYS 8 -10.430 10.166 -1.414 48 2HZ LYS 8 HZ1 LYS 8 -9.877 9.652 -2.936 49 3HZ LYS 8 HZ3 LYS 8 -11.507 9.453 -2.518 50 H ALA 9 HN ALA 9 -7.901 5.885 4.368 51 HA ALA 9 HA ALA 9 -6.088 4.159 3.162 52 1HB ALA 9 HB3 ALA 9 -6.341 5.379 5.687 53 2HB ALA 9 HB2 ALA 9 -6.126 3.659 6.018 54 3HB ALA 9 HB1 ALA 9 -4.928 4.530 5.060 55 H ALA 10 HN ALA 10 -8.375 3.145 5.740 56 HA ALA 10 HA ALA 10 -7.937 0.367 5.479 57 1HB ALA 10 HB2 ALA 10 -9.409 1.728 7.180 58 2HB ALA 10 HB1 ALA 10 -10.697 1.414 6.017 59 3HB ALA 10 HB3 ALA 10 -9.848 0.068 6.778 60 H PHE 11 HN PHE 11 -10.228 2.481 3.745 61 HA PHE 11 HA PHE 11 -11.739 0.701 2.293 62 1HB PHE 11 HB2 PHE 11 -11.092 3.379 2.009 63 2HB PHE 11 HB1 PHE 11 -10.488 2.673 0.512 64 HD1 PHE 11 HD1 PHE 11 -13.473 2.192 2.747 65 HD2 PHE 11 HD2 PHE 11 -11.992 2.706 -1.251 66 HE1 PHE 11 HE1 PHE 11 -15.790 2.056 1.872 67 HE2 PHE 11 HE2 PHE 11 -14.307 2.570 -2.127 68 HZ PHE 11 HZ PHE 11 -16.207 2.245 -0.567 69 H ASP 12 HN ASP 12 -8.361 1.590 1.607 70 HA ASP 12 HA ASP 12 -8.109 -0.250 -0.625 71 1HB ASP 12 HB2 ASP 12 -6.310 1.524 0.944 72 2HB ASP 12 HB1 ASP 12 -5.547 0.145 0.151 73 H SER 13 HN SER 13 -7.334 -0.406 2.845 74 HA SER 13 HA SER 13 -6.058 -3.003 2.691 75 1HB SER 13 HB2 SER 13 -5.429 -2.258 4.727 76 2HB SER 13 HB1 SER 13 -6.701 -1.042 4.743 77 HG SER 13 HG SER 13 -6.670 -2.956 6.328 78 H LEU 14 HN LEU 14 -9.094 -2.234 4.445 79 HA LEU 14 HA LEU 14 -10.113 -4.812 4.671 80 1HB LEU 14 HB2 LEU 14 -12.191 -2.887 3.783 81 2HB LEU 14 HB1 LEU 14 -12.133 -3.882 5.234 82 HG LEU 14 HG LEU 14 -10.664 -1.289 4.758 83 1HD1 LEU 14 HD13 LEU 14 -13.039 -2.132 6.390 84 2HD1 LEU 14 HD12 LEU 14 -12.043 -0.777 6.921 85 3HD1 LEU 14 HD11 LEU 14 -12.851 -0.717 5.354 86 1HD2 LEU 14 HD23 LEU 14 -9.984 -3.505 6.432 87 2HD2 LEU 14 HD22 LEU 14 -9.207 -1.924 6.363 88 3HD2 LEU 14 HD21 LEU 14 -10.550 -2.198 7.472 89 H GLN 15 HN GLN 15 -10.775 -2.598 1.925 90 HA GLN 15 HA GLN 15 -12.119 -4.583 0.343 91 1HB GLN 15 HB2 GLN 15 -10.476 -2.219 -0.611 92 2HB GLN 15 HB1 GLN 15 -11.625 -3.128 -1.587 93 1HG GLN 15 HG2 GLN 15 -12.223 -1.447 0.856 94 2HG GLN 15 HG1 GLN 15 -12.786 -1.183 -0.795 95 1HE2 GLN 15 HE22 GLN 15 -14.935 -4.229 -0.532 96 2HE2 GLN 15 HE21 GLN 15 -13.675 -3.729 -1.552 97 H ALA 16 HN ALA 16 -8.699 -3.783 0.699 98 HA ALA 16 HA ALA 16 -7.647 -5.304 -1.404 99 1HB ALA 16 HB2 ALA 16 -6.639 -4.271 1.138 100 2HB ALA 16 HB1 ALA 16 -5.793 -5.697 0.545 101 3HB ALA 16 HB3 ALA 16 -5.884 -4.247 -0.453 102 H SER 17 HN SER 17 -7.113 -6.492 1.736 103 HA SER 17 HA SER 17 -7.459 -9.243 0.845 104 1HB SER 17 HB2 SER 17 -7.135 -9.719 3.341 105 2HB SER 17 HB1 SER 17 -5.799 -8.911 2.528 106 HG SER 17 HG SER 17 -6.827 -8.067 4.651 107 H ALA 18 HN ALA 18 -9.722 -9.161 0.141 108 HA ALA 18 HA ALA 18 -11.614 -9.099 2.479 109 1HB ALA 18 HB2 ALA 18 -11.716 -7.798 -0.151 110 2HB ALA 18 HB1 ALA 18 -13.195 -8.665 0.265 111 3HB ALA 18 HB3 ALA 18 -12.581 -7.404 1.334 112 H THR 19 HN THR 19 -12.482 -10.052 -0.770 113 HA THR 19 HA THR 19 -12.149 -12.862 -0.574 114 HB THR 19 HB THR 19 -13.675 -12.837 1.292 115 HG1 THR 19 HG1 THR 19 -14.056 -14.241 -0.713 116 1HG2 THR 19 HG22 THR 19 -14.604 -10.514 0.404 117 2HG2 THR 19 HG21 THR 19 -15.845 -11.545 -0.307 118 3HG2 THR 19 HG23 THR 19 -15.590 -11.548 1.438 119 H GLU 20 HN GLU 20 -14.648 -10.481 -1.603 120 HA GLU 20 HA GLU 20 -15.417 -11.812 -3.987 121 1HB GLU 20 HB2 GLU 20 -15.791 -9.258 -4.757 122 2HB GLU 20 HB1 GLU 20 -16.891 -10.095 -3.688 123 1HG GLU 20 HG2 GLU 20 -16.267 -7.839 -2.831 124 2HG GLU 20 HG1 GLU 20 -15.809 -9.126 -1.725 125 H TYR 21 HN TYR 21 -14.130 -8.876 -4.993 126 HA TYR 21 HA TYR 21 -12.294 -10.216 -6.710 127 1HB TYR 21 HB2 TYR 21 -11.729 -7.790 -7.242 128 2HB TYR 21 HB1 TYR 21 -13.319 -8.315 -7.680 129 HD1 TYR 21 HD1 TYR 21 -11.300 -6.328 -5.314 130 HD2 TYR 21 HD2 TYR 21 -15.264 -7.452 -6.529 131 HE1 TYR 21 HE1 TYR 21 -12.240 -4.507 -3.922 132 HE2 TYR 21 HE2 TYR 21 -16.205 -5.634 -5.134 133 HH TYR 21 HH TYR 21 -15.079 -3.228 -4.248 134 H ILE 22 HN ILE 22 -12.254 -9.589 -3.507 135 HA ILE 22 HA ILE 22 -10.664 -9.259 -1.869 136 HB ILE 22 HB ILE 22 -9.932 -11.414 -2.903 137 1HG1 ILE 22 HG12 ILE 22 -7.328 -10.351 -2.249 138 2HG1 ILE 22 HG11 ILE 22 -8.541 -9.689 -1.170 139 1HG2 ILE 22 HG22 ILE 22 -8.230 -9.532 -4.536 140 2HG2 ILE 22 HG21 ILE 22 -7.771 -11.212 -4.280 141 3HG2 ILE 22 HG23 ILE 22 -9.280 -10.828 -5.103 142 1HD1 ILE 22 HD11 ILE 22 -9.331 -12.275 -1.213 143 2HD1 ILE 22 HD13 ILE 22 -7.598 -12.484 -1.465 144 3HD1 ILE 22 HD12 ILE 22 -8.185 -11.640 -0.032 145 H GLY 23 HN GLY 23 -11.107 -6.929 -3.404 146 1HA GLY 23 HA2 GLY 23 -10.036 -4.926 -4.140 147 2HA GLY 23 HA1 GLY 23 -9.200 -5.141 -2.602 148 H TYR 24 HN TYR 24 -8.850 -7.381 -5.244 149 HA TYR 24 HA TYR 24 -6.892 -8.160 -6.245 150 1HB TYR 24 HB2 TYR 24 -7.676 -5.839 -7.364 151 2HB TYR 24 HB1 TYR 24 -6.055 -5.382 -6.828 152 HD1 TYR 24 HD1 TYR 24 -7.664 -8.468 -8.202 153 HD2 TYR 24 HD2 TYR 24 -4.420 -5.672 -8.439 154 HE1 TYR 24 HE1 TYR 24 -6.664 -9.794 -10.033 155 HE2 TYR 24 HE2 TYR 24 -3.418 -6.992 -10.274 156 HH TYR 24 HH TYR 24 -3.552 -8.844 -11.498 157 H ALA 25 HN ALA 25 -6.397 -8.205 -3.637 158 HA ALA 25 HA ALA 25 -3.665 -7.019 -3.407 159 1HB ALA 25 HB2 ALA 25 -5.855 -6.484 -1.757 160 2HB ALA 25 HB1 ALA 25 -4.926 -7.684 -0.857 161 3HB ALA 25 HB3 ALA 25 -4.163 -6.177 -1.365 162 H TRP 26 HN TRP 26 -5.777 -9.748 -2.949 163 HA TRP 26 HA TRP 26 -4.419 -11.543 -1.418 164 1HB TRP 26 HB2 TRP 26 -5.641 -13.182 -2.474 165 2HB TRP 26 HB1 TRP 26 -6.497 -11.773 -3.073 166 HD1 TRP 26 HD1 TRP 26 -5.078 -14.826 -4.262 167 HE1 TRP 26 HE1 TRP 26 -4.587 -14.776 -6.761 168 HE3 TRP 26 HE3 TRP 26 -5.295 -9.777 -5.162 169 HZ2 TRP 26 HZ2 TRP 26 -4.291 -12.911 -8.870 170 HZ3 TRP 26 HZ3 TRP 26 -4.890 -8.917 -7.441 171 HH2 TRP 26 HH2 TRP 26 -4.385 -10.483 -9.292 172 H ALA 27 HN ALA 27 -3.314 -10.313 -4.497 173 HA ALA 27 HA ALA 27 -0.856 -11.942 -4.147 174 1HB ALA 27 HB1 ALA 27 -2.508 -11.495 -6.620 175 2HB ALA 27 HB3 ALA 27 -0.777 -11.806 -6.756 176 3HB ALA 27 HB2 ALA 27 -1.830 -13.001 -6.000 177 H MET 28 HN MET 28 -2.063 -9.280 -6.191 178 HA MET 28 HA MET 28 0.296 -7.959 -6.598 179 1HB MET 28 HB2 MET 28 -2.520 -6.944 -6.349 180 2HB MET 28 HB1 MET 28 -1.182 -5.867 -6.746 181 1HG MET 28 HG2 MET 28 -1.937 -8.364 -8.293 182 2HG MET 28 HG1 MET 28 -2.286 -6.709 -8.793 183 1HE MET 28 HE3 MET 28 -0.998 -9.123 -10.001 184 2HE MET 28 HE2 MET 28 0.488 -8.680 -10.836 185 3HE MET 28 HE1 MET 28 0.575 -9.536 -9.299 186 H VAL 29 HN VAL 29 -1.669 -8.014 -3.690 187 HA VAL 29 HA VAL 29 -0.617 -5.678 -2.435 188 HB VAL 29 HB VAL 29 -2.541 -7.343 -1.690 189 1HG1 VAL 29 HG12 VAL 29 -1.044 -9.285 -1.324 190 2HG1 VAL 29 HG11 VAL 29 -0.151 -8.364 -0.117 191 3HG1 VAL 29 HG13 VAL 29 -1.833 -8.802 0.175 192 1HG2 VAL 29 HG23 VAL 29 -1.468 -5.143 -0.618 193 2HG2 VAL 29 HG22 VAL 29 -2.670 -6.100 0.248 194 3HG2 VAL 29 HG21 VAL 29 -0.956 -6.298 0.612 195 H VAL 30 HN VAL 30 0.505 -9.061 -2.310 196 HA VAL 30 HA VAL 30 2.759 -8.573 -0.627 197 HB VAL 30 HB VAL 30 2.536 -10.667 -2.811 198 1HG1 VAL 30 HG11 VAL 30 4.761 -10.240 -1.625 199 2HG1 VAL 30 HG13 VAL 30 3.971 -10.804 -0.153 200 3HG1 VAL 30 HG12 VAL 30 4.141 -11.888 -1.533 201 1HG2 VAL 30 HG21 VAL 30 0.839 -10.264 -0.585 202 2HG2 VAL 30 HG23 VAL 30 0.936 -11.702 -1.602 203 3HG2 VAL 30 HG22 VAL 30 1.915 -11.589 -0.139 204 H VAL 31 HN VAL 31 2.643 -9.007 -4.191 205 HA VAL 31 HA VAL 31 5.284 -8.297 -4.776 206 HB VAL 31 HB VAL 31 2.702 -7.720 -6.252 207 1HG1 VAL 31 HG11 VAL 31 5.433 -6.700 -6.763 208 2HG1 VAL 31 HG13 VAL 31 4.642 -7.445 -8.152 209 3HG1 VAL 31 HG12 VAL 31 3.878 -6.087 -7.326 210 1HG2 VAL 31 HG22 VAL 31 3.946 -10.062 -5.918 211 2HG2 VAL 31 HG21 VAL 31 3.186 -9.641 -7.453 212 3HG2 VAL 31 HG23 VAL 31 4.929 -9.454 -7.251 213 H ILE 32 HN ILE 32 2.625 -6.294 -3.715 214 HA ILE 32 HA ILE 32 3.848 -3.768 -4.337 215 HB ILE 32 HB ILE 32 1.413 -4.647 -3.213 216 1HG1 ILE 32 HG12 ILE 32 2.428 -1.895 -3.880 217 2HG1 ILE 32 HG11 ILE 32 1.636 -3.010 -4.994 218 1HG2 ILE 32 HG23 ILE 32 2.893 -2.770 -1.394 219 2HG2 ILE 32 HG22 ILE 32 1.133 -2.885 -1.412 220 3HG2 ILE 32 HG21 ILE 32 2.102 -4.287 -0.962 221 1HD1 ILE 32 HD12 ILE 32 0.320 -2.024 -2.456 222 2HD1 ILE 32 HD11 ILE 32 0.134 -1.208 -4.008 223 3HD1 ILE 32 HD13 ILE 32 -0.439 -2.864 -3.809 224 H VAL 33 HN VAL 33 3.510 -5.482 -1.190 225 HA VAL 33 HA VAL 33 5.049 -3.816 0.367 226 HB VAL 33 HB VAL 33 5.151 -6.854 0.324 227 1HG1 VAL 33 HG13 VAL 33 6.873 -5.108 1.661 228 2HG1 VAL 33 HG12 VAL 33 5.664 -5.532 2.873 229 3HG1 VAL 33 HG11 VAL 33 6.587 -6.800 2.067 230 1HG2 VAL 33 HG22 VAL 33 2.964 -5.444 0.762 231 2HG2 VAL 33 HG21 VAL 33 3.356 -6.804 1.814 232 3HG2 VAL 33 HG23 VAL 33 3.705 -5.156 2.336 233 H GLY 34 HN GLY 34 6.166 -5.871 -2.236 234 1HA GLY 34 HA2 GLY 34 8.981 -5.622 -1.617 235 2HA GLY 34 HA1 GLY 34 8.310 -5.938 -3.229 236 H ALA 35 HN ALA 35 6.803 -3.898 -3.850 237 HA ALA 35 HA ALA 35 8.589 -1.737 -4.423 238 1HB ALA 35 HB3 ALA 35 6.317 -2.489 -5.541 239 2HB ALA 35 HB2 ALA 35 5.619 -1.337 -4.403 240 3HB ALA 35 HB1 ALA 35 6.812 -0.797 -5.584 241 H THR 36 HN THR 36 5.732 -1.780 -2.091 242 HA THR 36 HA THR 36 6.117 0.815 -1.085 243 HB THR 36 HB THR 36 5.289 -1.648 0.483 244 HG1 THR 36 HG1 THR 36 3.315 -1.275 -0.289 245 1HG2 THR 36 HG22 THR 36 4.824 1.309 0.959 246 2HG2 THR 36 HG21 THR 36 4.090 0.006 1.895 247 3HG2 THR 36 HG23 THR 36 5.837 0.245 1.935 248 H ILE 37 HN ILE 37 7.345 -2.148 0.479 249 HA ILE 37 HA ILE 37 9.054 -0.870 2.340 250 HB ILE 37 HB ILE 37 9.339 -3.557 0.979 251 1HG1 ILE 37 HG12 ILE 37 7.256 -3.079 2.362 252 2HG1 ILE 37 HG11 ILE 37 8.231 -4.434 2.934 253 1HG2 ILE 37 HG23 ILE 37 10.986 -2.139 2.993 254 2HG2 ILE 37 HG22 ILE 37 10.570 -3.803 3.401 255 3HG2 ILE 37 HG21 ILE 37 11.428 -3.451 1.901 256 1HD1 ILE 37 HD11 ILE 37 8.443 -1.607 4.011 257 2HD1 ILE 37 HD13 ILE 37 7.517 -2.898 4.779 258 3HD1 ILE 37 HD12 ILE 37 9.269 -3.036 4.634 259 H GLY 38 HN GLY 38 9.410 -1.231 -1.051 260 1HA GLY 38 HA2 GLY 38 12.299 -1.068 -1.175 261 2HA GLY 38 HA1 GLY 38 11.195 -0.782 -2.524 262 H ILE 39 HN ILE 39 9.814 1.300 -2.148 263 HA ILE 39 HA ILE 39 11.655 3.515 -1.958 264 HB ILE 39 HB ILE 39 8.633 3.341 -2.132 265 1HG1 ILE 39 HG12 ILE 39 9.316 4.502 -4.392 266 2HG1 ILE 39 HG11 ILE 39 10.903 3.811 -4.046 267 1HG2 ILE 39 HG21 ILE 39 10.461 5.747 -1.986 268 2HG2 ILE 39 HG23 ILE 39 8.844 5.829 -2.686 269 3HG2 ILE 39 HG22 ILE 39 9.049 5.396 -0.989 270 1HD1 ILE 39 HD12 ILE 39 8.695 1.918 -3.642 271 2HD1 ILE 39 HD11 ILE 39 8.843 2.478 -5.307 272 3HD1 ILE 39 HD13 ILE 39 10.213 1.703 -4.512 273 H LYS 40 HN LYS 40 10.136 1.583 0.364 274 HA LYS 40 HA LYS 40 9.581 3.683 2.328 275 1HB LYS 40 HB2 LYS 40 8.578 1.301 2.246 276 2HB LYS 40 HB1 LYS 40 10.095 0.780 2.981 277 1HG LYS 40 HG2 LYS 40 8.659 1.191 4.823 278 2HG LYS 40 HG1 LYS 40 9.674 2.630 4.725 279 1HD LYS 40 HD2 LYS 40 7.785 3.852 4.598 280 2HD LYS 40 HD1 LYS 40 7.524 3.151 3.001 281 1HE LYS 40 HE2 LYS 40 6.181 1.384 3.890 282 2HE LYS 40 HE1 LYS 40 6.656 1.768 5.546 283 1HZ LYS 40 HZ3 LYS 40 5.553 4.042 4.266 284 2HZ LYS 40 HZ2 LYS 40 4.469 2.737 4.174 285 3HZ LYS 40 HZ1 LYS 40 5.046 3.262 5.684 286 H LEU 41 HN LEU 41 11.945 1.002 2.519 287 HA LEU 41 HA LEU 41 13.586 2.349 4.444 288 1HB LEU 41 HB2 LEU 41 13.851 -0.068 2.710 289 2HB LEU 41 HB1 LEU 41 15.329 0.603 3.401 290 HG LEU 41 HG LEU 41 14.213 0.560 5.655 291 1HD1 LEU 41 HD11 LEU 41 12.068 -0.742 3.980 292 2HD1 LEU 41 HD13 LEU 41 12.218 -1.102 5.700 293 3HD1 LEU 41 HD12 LEU 41 11.902 0.550 5.169 294 1HD2 LEU 41 HD23 LEU 41 15.515 -1.439 4.304 295 2HD2 LEU 41 HD22 LEU 41 15.042 -1.538 6.000 296 3HD2 LEU 41 HD21 LEU 41 14.015 -2.250 4.755 297 H PHE 42 HN PHE 42 13.432 2.476 0.959 298 HA PHE 42 HA PHE 42 16.073 3.610 0.573 299 1HB PHE 42 HB2 PHE 42 13.586 3.396 -1.113 300 2HB PHE 42 HB1 PHE 42 14.945 4.385 -1.647 301 HD1 PHE 42 HD1 PHE 42 15.517 1.427 0.451 302 HD2 PHE 42 HD2 PHE 42 15.382 2.910 -3.579 303 HE1 PHE 42 HE1 PHE 42 16.691 -0.610 -0.337 304 HE2 PHE 42 HE2 PHE 42 16.558 0.873 -4.366 305 HZ PHE 42 HZ PHE 42 17.212 -0.887 -2.745 306 H LYS 43 HN LYS 43 12.814 5.090 0.347 307 HA LYS 43 HA LYS 43 13.925 7.778 0.500 308 1HB LYS 43 HB2 LYS 43 11.558 6.748 -0.407 309 2HB LYS 43 HB1 LYS 43 11.066 7.407 1.153 310 1HG LYS 43 HG2 LYS 43 11.841 9.597 0.580 311 2HG LYS 43 HG1 LYS 43 12.693 8.996 -0.843 312 1HD LYS 43 HD2 LYS 43 10.658 10.003 -1.634 313 2HD LYS 43 HD1 LYS 43 10.437 8.256 -1.746 314 1HE LYS 43 HE2 LYS 43 8.907 8.197 -0.026 315 2HE LYS 43 HE1 LYS 43 9.636 9.569 0.809 316 1HZ LYS 43 HZ3 LYS 43 8.519 10.193 -1.780 317 2HZ LYS 43 HZ2 LYS 43 7.373 9.690 -0.629 318 3HZ LYS 43 HZ1 LYS 43 8.377 11.023 -0.308 319 H LYS 44 HN LYS 44 13.682 5.444 2.810 320 HA LYS 44 HA LYS 44 12.581 6.995 5.006 321 1HB LYS 44 HB2 LYS 44 13.590 4.306 4.578 322 2HB LYS 44 HB1 LYS 44 14.220 4.988 6.078 323 1HG LYS 44 HG2 LYS 44 11.291 4.960 5.294 324 2HG LYS 44 HG1 LYS 44 12.043 3.825 6.413 325 1HD LYS 44 HD2 LYS 44 12.834 6.365 7.315 326 2HD LYS 44 HD1 LYS 44 11.125 6.532 6.906 327 1HE LYS 44 HE2 LYS 44 10.534 5.385 8.745 328 2HE LYS 44 HE1 LYS 44 11.539 4.023 8.253 329 1HZ LYS 44 HZ1 LYS 44 13.467 5.229 9.180 330 2HZ LYS 44 HZ3 LYS 44 12.414 6.422 9.766 331 3HZ LYS 44 HZ2 LYS 44 12.304 4.832 10.354 332 H PHE 45 HN PHE 45 15.643 6.878 3.430 333 HA PHE 45 HA PHE 45 16.827 8.418 5.709 334 1HB PHE 45 HB2 PHE 45 17.789 6.042 4.471 335 2HB PHE 45 HB1 PHE 45 18.871 7.354 4.000 336 HD1 PHE 45 HD2 PHE 45 18.642 9.146 6.359 337 HD2 PHE 45 HD1 PHE 45 19.017 4.873 6.126 338 HE1 PHE 45 HE2 PHE 45 19.669 9.113 8.615 339 HE2 PHE 45 HE1 PHE 45 20.045 4.840 8.382 340 HZ PHE 45 HZ PHE 45 20.370 6.960 9.627 341 H THR 46 HN THR 46 15.384 9.831 3.880 342 HA THR 46 HA THR 46 15.680 11.822 2.643 343 HB THR 46 HB THR 46 18.591 11.163 2.253 344 HG1 THR 46 HG1 THR 46 17.459 12.363 4.556 345 1HG2 THR 46 HG22 THR 46 16.979 13.291 1.542 346 2HG2 THR 46 HG21 THR 46 17.749 13.861 3.023 347 3HG2 THR 46 HG23 THR 46 18.738 13.339 1.659 348 H SER 47 HN SER 47 16.074 8.696 1.716 349 HA SER 47 HA SER 47 15.673 7.684 -0.373 350 1HB SER 47 HB2 SER 47 14.389 9.920 -0.749 351 2HB SER 47 HB1 SER 47 15.798 10.385 -1.696 352 HG SER 47 HG SER 47 15.467 8.306 -2.801 353 H LYS 48 HN LYS 48 18.368 9.437 0.508 354 HA LYS 48 HA LYS 48 19.967 8.098 -1.585 355 1HB LYS 48 HB2 LYS 48 19.955 11.099 -1.176 356 2HB LYS 48 HB1 LYS 48 21.196 10.234 -2.083 357 1HG LYS 48 HG2 LYS 48 18.243 10.037 -2.722 358 2HG LYS 48 HG1 LYS 48 19.323 11.195 -3.497 359 1HD LYS 48 HD2 LYS 48 20.549 9.529 -4.585 360 2HD LYS 48 HD1 LYS 48 20.056 8.282 -3.440 361 1HE LYS 48 HE2 LYS 48 17.642 9.111 -4.486 362 2HE LYS 48 HE1 LYS 48 18.715 9.209 -5.881 363 1HZ LYS 48 HZ2 LYS 48 19.113 6.839 -4.311 364 2HZ LYS 48 HZ1 LYS 48 17.543 6.949 -4.952 365 3HZ LYS 48 HZ3 LYS 48 18.885 7.005 -5.986 366 H ALA 49 HN ALA 49 19.551 8.360 1.511 367 HA ALA 49 HA ALA 49 22.467 8.623 2.128 368 1HB ALA 49 HB2 ALA 49 20.922 10.407 3.116 369 2HB ALA 49 HB1 ALA 49 20.228 9.118 4.100 370 3HB ALA 49 HB3 ALA 49 21.933 9.536 4.269 371 H SER 50 HN SER 50 19.954 6.472 1.843 372 HA SER 50 HA SER 50 20.062 4.833 4.123 373 1HB SER 50 HB2 SER 50 19.993 3.620 1.375 374 2HB SER 50 HB1 SER 50 19.092 3.150 2.813 375 HG SER 50 HG SER 50 18.192 5.422 2.543 No H/Q in entry = 375 Start of MODEL 8 1 1H ALA 1 HT2 ALA 1 -20.414 8.795 -9.692 2 2H ALA 1 HT1 ALA 1 -21.555 8.398 -10.887 3 3H ALA 1 HT3 ALA 1 -20.426 7.240 -10.378 4 HA ALA 1 HA ALA 1 -19.286 7.860 -12.190 5 1HB ALA 1 HB1 ALA 1 -21.376 9.792 -12.252 6 2HB ALA 1 HB3 ALA 1 -19.859 10.656 -12.499 7 3HB ALA 1 HB2 ALA 1 -20.299 9.324 -13.568 8 H GLU 2 HN GLU 2 -17.821 10.152 -12.698 9 HA GLU 2 HA GLU 2 -15.807 11.114 -11.942 10 1HB GLU 2 HB2 GLU 2 -18.024 11.987 -10.279 11 2HB GLU 2 HB1 GLU 2 -16.513 11.992 -9.369 12 1HG GLU 2 HG2 GLU 2 -15.755 13.792 -10.493 13 2HG GLU 2 HG1 GLU 2 -16.118 13.041 -12.048 14 H GLY 3 HN GLY 3 -14.639 11.312 -9.445 15 1HA GLY 3 HA2 GLY 3 -14.665 9.246 -7.631 16 2HA GLY 3 HA1 GLY 3 -13.798 8.548 -9.001 17 H ASP 4 HN ASP 4 -13.721 11.133 -6.594 18 HA ASP 4 HA ASP 4 -10.823 11.018 -6.490 19 1HB ASP 4 HB2 ASP 4 -11.809 12.654 -8.487 20 2HB ASP 4 HB1 ASP 4 -11.589 13.778 -7.146 21 H ASP 5 HN ASP 5 -11.587 10.592 -4.274 22 HA ASP 5 HA ASP 5 -12.096 13.146 -2.819 23 1HB ASP 5 HB2 ASP 5 -13.720 10.672 -2.836 24 2HB ASP 5 HB1 ASP 5 -13.377 11.331 -1.236 25 HA PRO 6 HA PRO 6 -8.936 11.764 -0.122 26 1HB PRO 6 HB2 PRO 6 -9.766 12.869 2.254 27 2HB PRO 6 HB1 PRO 6 -9.073 13.814 0.924 28 1HG PRO 6 HG2 PRO 6 -11.924 13.633 1.804 29 2HG PRO 6 HG1 PRO 6 -11.099 14.944 0.943 30 1HD PRO 6 HD2 PRO 6 -12.811 13.002 -0.226 31 2HD PRO 6 HD1 PRO 6 -11.747 14.124 -1.101 32 H ALA 7 HN ALA 7 -12.252 10.993 0.710 33 HA ALA 7 HA ALA 7 -11.623 9.217 2.912 34 1HB ALA 7 HB1 ALA 7 -13.956 10.288 1.781 35 2HB ALA 7 HB3 ALA 7 -14.087 8.549 1.521 36 3HB ALA 7 HB2 ALA 7 -13.866 9.183 3.151 37 H LYS 8 HN LYS 8 -11.472 8.925 -0.524 38 HA LYS 8 HA LYS 8 -11.845 6.065 -0.705 39 1HB LYS 8 HB2 LYS 8 -11.237 8.234 -2.491 40 2HB LYS 8 HB1 LYS 8 -10.079 6.929 -2.758 41 1HG LYS 8 HG2 LYS 8 -11.874 5.325 -3.074 42 2HG LYS 8 HG1 LYS 8 -13.082 6.537 -2.642 43 1HD LYS 8 HD2 LYS 8 -13.205 7.061 -4.831 44 2HD LYS 8 HD1 LYS 8 -11.579 7.730 -4.683 45 1HE LYS 8 HE2 LYS 8 -10.713 5.360 -5.073 46 2HE LYS 8 HE1 LYS 8 -12.360 4.936 -5.537 47 1HZ LYS 8 HZ1 LYS 8 -11.529 7.324 -6.823 48 2HZ LYS 8 HZ3 LYS 8 -10.425 6.076 -7.134 49 3HZ LYS 8 HZ2 LYS 8 -12.069 5.866 -7.511 50 H ALA 9 HN ALA 9 -9.052 8.151 -0.124 51 HA ALA 9 HA ALA 9 -6.994 6.233 -0.451 52 1HB ALA 9 HB3 ALA 9 -7.188 8.879 0.473 53 2HB ALA 9 HB2 ALA 9 -6.475 7.974 1.808 54 3HB ALA 9 HB1 ALA 9 -5.708 7.954 0.221 55 H ALA 10 HN ALA 10 -8.397 7.260 2.692 56 HA ALA 10 HA ALA 10 -7.272 5.148 4.194 57 1HB ALA 10 HB1 ALA 10 -8.357 7.103 5.227 58 2HB ALA 10 HB3 ALA 10 -9.923 6.532 4.661 59 3HB ALA 10 HB2 ALA 10 -9.023 5.598 5.857 60 H PHE 11 HN PHE 11 -10.329 5.243 2.356 61 HA PHE 11 HA PHE 11 -11.490 2.864 3.238 62 1HB PHE 11 HB2 PHE 11 -11.954 4.563 1.111 63 2HB PHE 11 HB1 PHE 11 -11.475 3.069 0.301 64 HD1 PHE 11 HD1 PHE 11 -13.735 4.382 2.976 65 HD2 PHE 11 HD2 PHE 11 -12.998 1.273 0.105 66 HE1 PHE 11 HE1 PHE 11 -15.952 3.397 3.478 67 HE2 PHE 11 HE2 PHE 11 -15.218 0.288 0.606 68 HZ PHE 11 HZ PHE 11 -16.696 1.350 2.291 69 H ASP 12 HN ASP 12 -8.894 3.233 0.804 70 HA ASP 12 HA ASP 12 -8.590 0.374 0.429 71 1HB ASP 12 HB2 ASP 12 -6.634 0.918 -0.863 72 2HB ASP 12 HB1 ASP 12 -7.822 2.177 -1.198 73 H SER 13 HN SER 13 -7.252 2.743 2.648 74 HA SER 13 HA SER 13 -5.189 0.937 3.672 75 1HB SER 13 HB2 SER 13 -5.677 3.682 3.804 76 2HB SER 13 HB1 SER 13 -5.924 3.118 5.454 77 HG SER 13 HG SER 13 -3.640 3.020 3.825 78 H LEU 14 HN LEU 14 -7.710 2.597 5.611 79 HA LEU 14 HA LEU 14 -7.859 0.840 7.733 80 1HB LEU 14 HB2 LEU 14 -10.147 1.560 8.104 81 2HB LEU 14 HB1 LEU 14 -9.244 2.932 7.464 82 HG LEU 14 HG LEU 14 -10.080 1.995 5.142 83 1HD1 LEU 14 HD13 LEU 14 -11.445 0.335 7.049 84 2HD1 LEU 14 HD12 LEU 14 -12.628 1.317 6.184 85 3HD1 LEU 14 HD11 LEU 14 -11.521 0.275 5.288 86 1HD2 LEU 14 HD22 LEU 14 -11.406 3.718 7.181 87 2HD2 LEU 14 HD21 LEU 14 -10.827 4.133 5.567 88 3HD2 LEU 14 HD23 LEU 14 -12.357 3.277 5.762 89 H GLN 15 HN GLN 15 -9.357 0.384 4.536 90 HA GLN 15 HA GLN 15 -10.706 -2.069 5.283 91 1HB GLN 15 HB2 GLN 15 -11.266 -0.583 3.281 92 2HB GLN 15 HB1 GLN 15 -9.849 -1.276 2.491 93 1HG GLN 15 HG2 GLN 15 -11.527 -2.720 1.764 94 2HG GLN 15 HG1 GLN 15 -10.941 -3.565 3.197 95 1HE2 GLN 15 HE22 GLN 15 -13.872 -2.864 5.127 96 2HE2 GLN 15 HE21 GLN 15 -12.226 -3.262 5.234 97 H ALA 16 HN ALA 16 -7.697 -1.323 3.515 98 HA ALA 16 HA ALA 16 -6.730 -3.812 2.912 99 1HB ALA 16 HB1 ALA 16 -5.535 -1.264 3.564 100 2HB ALA 16 HB3 ALA 16 -4.519 -2.613 4.070 101 3HB ALA 16 HB2 ALA 16 -5.008 -2.462 2.383 102 H SER 17 HN SER 17 -5.564 -2.356 5.766 103 HA SER 17 HA SER 17 -5.288 -4.961 7.086 104 1HB SER 17 HB2 SER 17 -4.987 -2.603 8.799 105 2HB SER 17 HB1 SER 17 -3.824 -3.878 8.443 106 HG SER 17 HG SER 17 -2.903 -2.431 7.233 107 H ALA 18 HN ALA 18 -7.670 -5.427 6.961 108 HA ALA 18 HA ALA 18 -9.120 -4.029 9.190 109 1HB ALA 18 HB3 ALA 18 -9.979 -3.478 6.887 110 2HB ALA 18 HB2 ALA 18 -10.413 -5.178 6.708 111 3HB ALA 18 HB1 ALA 18 -11.182 -4.199 7.957 112 H THR 19 HN THR 19 -7.707 -6.251 9.878 113 HA THR 19 HA THR 19 -7.861 -8.554 10.511 114 HB THR 19 HB THR 19 -8.618 -7.724 12.514 115 HG1 THR 19 HG1 THR 19 -9.803 -9.396 12.870 116 1HG2 THR 19 HG22 THR 19 -10.978 -6.584 10.997 117 2HG2 THR 19 HG21 THR 19 -10.765 -6.451 12.742 118 3HG2 THR 19 HG23 THR 19 -9.607 -5.689 11.651 119 H GLU 20 HN GLU 20 -11.391 -8.321 10.547 120 HA GLU 20 HA GLU 20 -12.307 -10.635 9.642 121 1HB GLU 20 HB2 GLU 20 -13.993 -9.454 8.124 122 2HB GLU 20 HB1 GLU 20 -13.937 -8.953 9.810 123 1HG GLU 20 HG2 GLU 20 -12.153 -7.532 7.890 124 2HG GLU 20 HG1 GLU 20 -13.876 -7.177 7.821 125 H TYR 21 HN TYR 21 -12.804 -9.100 6.730 126 HA TYR 21 HA TYR 21 -11.377 -11.141 5.347 127 1HB TYR 21 HB2 TYR 21 -12.150 -9.725 3.388 128 2HB TYR 21 HB1 TYR 21 -13.399 -10.489 4.311 129 HD1 TYR 21 HD2 TYR 21 -11.660 -7.319 3.562 130 HD2 TYR 21 HD1 TYR 21 -14.927 -9.181 5.636 131 HE1 TYR 21 HE2 TYR 21 -12.668 -5.093 3.966 132 HE2 TYR 21 HE1 TYR 21 -15.937 -6.959 6.038 133 HH TYR 21 HH TYR 21 -15.682 -4.545 4.657 134 H ILE 22 HN ILE 22 -10.524 -8.351 6.902 135 HA ILE 22 HA ILE 22 -8.769 -6.849 6.761 136 HB ILE 22 HB ILE 22 -7.552 -8.850 7.355 137 1HG1 ILE 22 HG12 ILE 22 -5.879 -7.773 5.119 138 2HG1 ILE 22 HG11 ILE 22 -6.403 -6.664 6.382 139 1HG2 ILE 22 HG22 ILE 22 -7.503 -9.399 4.377 140 2HG2 ILE 22 HG21 ILE 22 -6.562 -10.287 5.572 141 3HG2 ILE 22 HG23 ILE 22 -8.317 -10.354 5.612 142 1HD1 ILE 22 HD13 ILE 22 -5.203 -9.309 7.142 143 2HD1 ILE 22 HD12 ILE 22 -4.150 -7.970 6.685 144 3HD1 ILE 22 HD11 ILE 22 -5.244 -7.802 8.058 145 H GLY 23 HN GLY 23 -10.422 -6.220 4.733 146 1HA GLY 23 HA2 GLY 23 -10.547 -5.447 2.480 147 2HA GLY 23 HA1 GLY 23 -9.084 -4.612 2.990 148 H TYR 24 HN TYR 24 -9.350 -8.089 2.609 149 HA TYR 24 HA TYR 24 -7.875 -9.511 1.502 150 1HB TYR 24 HB2 TYR 24 -9.943 -8.879 0.059 151 2HB TYR 24 HB1 TYR 24 -8.757 -8.011 -0.926 152 HD1 TYR 24 HD1 TYR 24 -6.989 -9.133 -1.983 153 HD2 TYR 24 HD2 TYR 24 -9.846 -11.301 0.302 154 HE1 TYR 24 HE1 TYR 24 -6.120 -11.233 -2.942 155 HE2 TYR 24 HE2 TYR 24 -9.006 -13.433 -0.651 156 HH TYR 24 HH TYR 24 -7.149 -14.352 -1.748 157 H ALA 25 HN ALA 25 -6.428 -7.318 2.470 158 HA ALA 25 HA ALA 25 -4.472 -6.872 0.277 159 1HB ALA 25 HB1 ALA 25 -5.790 -4.891 1.568 160 2HB ALA 25 HB3 ALA 25 -4.438 -5.109 2.680 161 3HB ALA 25 HB2 ALA 25 -4.134 -4.708 0.990 162 H TRP 26 HN TRP 26 -5.115 -8.079 3.445 163 HA TRP 26 HA TRP 26 -2.779 -8.095 4.840 164 1HB TRP 26 HB2 TRP 26 -3.594 -9.938 5.956 165 2HB TRP 26 HB1 TRP 26 -5.042 -9.450 5.096 166 HD1 TRP 26 HD1 TRP 26 -3.221 -12.430 5.830 167 HE1 TRP 26 HE1 TRP 26 -3.625 -14.293 4.119 168 HE3 TRP 26 HE3 TRP 26 -5.299 -9.710 2.003 169 HZ2 TRP 26 HZ2 TRP 26 -4.678 -14.616 1.495 170 HZ3 TRP 26 HZ3 TRP 26 -5.985 -10.852 -0.078 171 HH2 TRP 26 HH2 TRP 26 -5.679 -13.294 -0.341 172 H ALA 27 HN ALA 27 -3.167 -9.648 1.710 173 HA ALA 27 HA ALA 27 -0.443 -10.819 2.048 174 1HB ALA 27 HB1 ALA 27 -2.771 -11.597 0.283 175 2HB ALA 27 HB3 ALA 27 -1.134 -12.183 -0.016 176 3HB ALA 27 HB2 ALA 27 -1.950 -12.578 1.497 177 H MET 28 HN MET 28 -2.370 -9.776 -0.756 178 HA MET 28 HA MET 28 -0.301 -9.008 -2.372 179 1HB MET 28 HB2 MET 28 -2.800 -9.028 -2.908 180 2HB MET 28 HB1 MET 28 -2.847 -7.411 -2.202 181 1HG MET 28 HG2 MET 28 -0.671 -7.817 -4.148 182 2HG MET 28 HG1 MET 28 -2.290 -7.930 -4.836 183 1HE MET 28 HE3 MET 28 -1.757 -6.106 -6.332 184 2HE MET 28 HE2 MET 28 -3.405 -5.799 -5.789 185 3HE MET 28 HE1 MET 28 -2.275 -4.457 -5.943 186 H VAL 29 HN VAL 29 -1.993 -6.986 -0.006 187 HA VAL 29 HA VAL 29 -0.743 -4.549 -0.390 188 HB VAL 29 HB VAL 29 -2.481 -5.473 1.446 189 1HG1 VAL 29 HG12 VAL 29 -0.717 -6.652 2.745 190 2HG1 VAL 29 HG11 VAL 29 0.108 -5.115 2.999 191 3HG1 VAL 29 HG13 VAL 29 -1.490 -5.385 3.694 192 1HG2 VAL 29 HG22 VAL 29 -1.592 -3.059 0.720 193 2HG2 VAL 29 HG21 VAL 29 -2.607 -3.280 2.145 194 3HG2 VAL 29 HG23 VAL 29 -0.859 -3.122 2.322 195 H VAL 30 HN VAL 30 0.576 -7.266 1.555 196 HA VAL 30 HA VAL 30 3.021 -5.813 2.165 197 HB VAL 30 HB VAL 30 3.829 -8.010 3.008 198 1HG1 VAL 30 HG12 VAL 30 2.300 -6.470 4.328 199 2HG1 VAL 30 HG11 VAL 30 0.961 -7.510 3.841 200 3HG1 VAL 30 HG13 VAL 30 2.269 -8.161 4.827 201 1HG2 VAL 30 HG21 VAL 30 2.409 -9.210 1.139 202 2HG2 VAL 30 HG23 VAL 30 2.644 -10.001 2.696 203 3HG2 VAL 30 HG22 VAL 30 1.131 -9.164 2.351 204 H VAL 31 HN VAL 31 2.016 -8.078 -0.340 205 HA VAL 31 HA VAL 31 4.547 -8.774 -1.379 206 HB VAL 31 HB VAL 31 1.880 -8.344 -2.756 207 1HG1 VAL 31 HG12 VAL 31 4.481 -8.557 -3.934 208 2HG1 VAL 31 HG11 VAL 31 3.613 -10.062 -4.240 209 3HG1 VAL 31 HG13 VAL 31 2.915 -8.524 -4.746 210 1HG2 VAL 31 HG21 VAL 31 3.008 -10.421 -1.139 211 2HG2 VAL 31 HG23 VAL 31 1.442 -10.404 -1.950 212 3HG2 VAL 31 HG22 VAL 31 2.861 -11.033 -2.787 213 H ILE 32 HN ILE 32 2.410 -6.096 -2.476 214 HA ILE 32 HA ILE 32 4.348 -4.934 -4.186 215 HB ILE 32 HB ILE 32 2.083 -4.308 -4.347 216 1HG1 ILE 32 HG12 ILE 32 2.652 -1.681 -3.547 217 2HG1 ILE 32 HG11 ILE 32 4.196 -2.404 -4.002 218 1HG2 ILE 32 HG22 ILE 32 1.870 -4.483 -1.707 219 2HG2 ILE 32 HG21 ILE 32 2.081 -2.738 -1.840 220 3HG2 ILE 32 HG23 ILE 32 0.734 -3.528 -2.660 221 1HD1 ILE 32 HD12 ILE 32 1.839 -2.858 -5.786 222 2HD1 ILE 32 HD11 ILE 32 2.635 -1.285 -5.833 223 3HD1 ILE 32 HD13 ILE 32 3.550 -2.747 -6.198 224 H VAL 33 HN VAL 33 3.466 -3.998 -0.830 225 HA VAL 33 HA VAL 33 5.349 -1.951 -0.557 226 HB VAL 33 HB VAL 33 4.673 -4.074 1.518 227 1HG1 VAL 33 HG13 VAL 33 6.619 -2.081 1.609 228 2HG1 VAL 33 HG12 VAL 33 5.242 -1.363 2.445 229 3HG1 VAL 33 HG11 VAL 33 5.908 -2.899 3.001 230 1HG2 VAL 33 HG22 VAL 33 2.746 -2.775 0.461 231 2HG2 VAL 33 HG21 VAL 33 2.892 -2.625 2.212 232 3HG2 VAL 33 HG23 VAL 33 3.456 -1.322 1.166 233 H GLY 34 HN GLY 34 5.853 -5.355 -0.943 234 1HA GLY 34 HA2 GLY 34 8.593 -5.388 0.029 235 2HA GLY 34 HA1 GLY 34 7.874 -6.572 -1.078 236 H ALA 35 HN ALA 35 7.049 -5.112 -3.157 237 HA ALA 35 HA ALA 35 9.459 -4.516 -4.598 238 1HB ALA 35 HB2 ALA 35 7.355 -5.315 -5.667 239 2HB ALA 35 HB1 ALA 35 6.605 -3.763 -5.292 240 3HB ALA 35 HB3 ALA 35 7.967 -3.837 -6.409 241 H THR 36 HN THR 36 6.811 -2.281 -3.429 242 HA THR 36 HA THR 36 7.999 0.117 -4.285 243 HB THR 36 HB THR 36 6.553 -0.248 -1.647 244 HG1 THR 36 HG1 THR 36 4.937 -0.833 -2.825 245 1HG2 THR 36 HG22 THR 36 7.618 1.968 -2.133 246 2HG2 THR 36 HG21 THR 36 6.624 2.077 -3.586 247 3HG2 THR 36 HG23 THR 36 5.862 2.049 -1.996 248 H ILE 37 HN ILE 37 8.266 -1.222 -0.980 249 HA ILE 37 HA ILE 37 10.379 0.529 -0.161 250 HB ILE 37 HB ILE 37 9.547 -2.206 0.806 251 1HG1 ILE 37 HG12 ILE 37 9.109 0.581 1.934 252 2HG1 ILE 37 HG11 ILE 37 7.902 -0.346 1.042 253 1HG2 ILE 37 HG23 ILE 37 11.929 -1.694 1.363 254 2HG2 ILE 37 HG22 ILE 37 11.399 -0.203 2.139 255 3HG2 ILE 37 HG21 ILE 37 10.903 -1.763 2.795 256 1HD1 ILE 37 HD12 ILE 37 8.205 -2.182 2.777 257 2HD1 ILE 37 HD11 ILE 37 9.142 -1.022 3.717 258 3HD1 ILE 37 HD13 ILE 37 7.443 -0.705 3.367 259 H GLY 38 HN GLY 38 10.419 -2.224 -2.186 260 1HA GLY 38 HA2 GLY 38 13.168 -3.034 -1.700 261 2HA GLY 38 HA1 GLY 38 12.176 -3.529 -3.077 262 H ILE 39 HN ILE 39 11.721 -1.680 -4.652 263 HA ILE 39 HA ILE 39 14.177 -0.639 -5.640 264 HB ILE 39 HB ILE 39 11.319 0.201 -6.241 265 1HG1 ILE 39 HG12 ILE 39 13.163 -1.627 -7.808 266 2HG1 ILE 39 HG11 ILE 39 11.960 -2.221 -6.663 267 1HG2 ILE 39 HG23 ILE 39 13.050 1.883 -6.881 268 2HG2 ILE 39 HG22 ILE 39 13.866 0.640 -7.830 269 3HG2 ILE 39 HG21 ILE 39 12.247 1.173 -8.281 270 1HD1 ILE 39 HD13 ILE 39 10.532 -0.418 -8.225 271 2HD1 ILE 39 HD12 ILE 39 11.591 -1.222 -9.384 272 3HD1 ILE 39 HD11 ILE 39 10.496 -2.174 -8.382 273 H LYS 40 HN LYS 40 12.152 0.328 -3.058 274 HA LYS 40 HA LYS 40 12.648 3.201 -3.263 275 1HB LYS 40 HB2 LYS 40 10.731 2.261 -1.987 276 2HB LYS 40 HB1 LYS 40 11.865 1.534 -0.849 277 1HG LYS 40 HG2 LYS 40 11.884 3.463 0.307 278 2HG LYS 40 HG1 LYS 40 12.606 4.257 -1.093 279 1HD LYS 40 HD2 LYS 40 10.437 4.806 -1.994 280 2HD LYS 40 HD1 LYS 40 9.627 3.821 -0.776 281 1HE LYS 40 HE2 LYS 40 11.172 5.530 0.755 282 2HE LYS 40 HE1 LYS 40 10.652 6.562 -0.576 283 1HZ LYS 40 HZ2 LYS 40 8.414 5.162 0.060 284 2HZ LYS 40 HZ1 LYS 40 9.119 5.455 1.578 285 3HZ LYS 40 HZ3 LYS 40 8.757 6.753 0.549 286 H LEU 41 HN LEU 41 13.659 1.114 -0.556 287 HA LEU 41 HA LEU 41 15.872 2.685 0.211 288 1HB LEU 41 HB2 LEU 41 14.985 -0.106 0.681 289 2HB LEU 41 HB1 LEU 41 16.705 0.197 0.934 290 HG LEU 41 HG LEU 41 14.548 1.949 2.131 291 1HD1 LEU 41 HD11 LEU 41 15.196 -0.742 2.817 292 2HD1 LEU 41 HD13 LEU 41 15.859 0.300 4.075 293 3HD1 LEU 41 HD12 LEU 41 14.141 0.374 3.685 294 1HD2 LEU 41 HD22 LEU 41 17.488 1.513 2.753 295 2HD2 LEU 41 HD21 LEU 41 16.798 2.929 1.959 296 3HD2 LEU 41 HD23 LEU 41 16.410 2.587 3.645 297 H PHE 42 HN PHE 42 15.731 -0.042 -2.086 298 HA PHE 42 HA PHE 42 18.552 -0.103 -2.617 299 1HB PHE 42 HB2 PHE 42 16.431 -1.650 -3.374 300 2HB PHE 42 HB1 PHE 42 16.747 -0.762 -4.865 301 HD1 PHE 42 HD2 PHE 42 18.979 -2.067 -2.146 302 HD2 PHE 42 HD1 PHE 42 17.997 -2.083 -6.328 303 HE1 PHE 42 HE2 PHE 42 20.930 -3.530 -2.599 304 HE2 PHE 42 HE1 PHE 42 19.949 -3.545 -6.781 305 HZ PHE 42 HZ PHE 42 21.415 -4.269 -4.916 306 H LYS 43 HN LYS 43 15.898 1.283 -4.570 307 HA LYS 43 HA LYS 43 17.802 2.858 -6.143 308 1HB LYS 43 HB2 LYS 43 15.274 1.863 -6.624 309 2HB LYS 43 HB1 LYS 43 14.964 3.580 -6.364 310 1HG LYS 43 HG2 LYS 43 15.436 3.481 -8.663 311 2HG LYS 43 HG1 LYS 43 16.987 3.946 -7.964 312 1HD LYS 43 HD2 LYS 43 17.863 1.751 -8.161 313 2HD LYS 43 HD1 LYS 43 16.265 1.051 -8.419 314 1HE LYS 43 HE2 LYS 43 16.921 3.114 -10.388 315 2HE LYS 43 HE1 LYS 43 18.051 1.761 -10.417 316 1HZ LYS 43 HZ3 LYS 43 15.462 0.741 -10.135 317 2HZ LYS 43 HZ2 LYS 43 15.440 1.856 -11.417 318 3HZ LYS 43 HZ1 LYS 43 16.528 0.551 -11.440 319 H LYS 44 HN LYS 44 17.290 3.351 -3.119 320 HA LYS 44 HA LYS 44 16.041 5.909 -2.861 321 1HB LYS 44 HB2 LYS 44 17.328 4.049 -1.147 322 2HB LYS 44 HB1 LYS 44 18.172 5.585 -0.950 323 1HG LYS 44 HG2 LYS 44 15.171 5.186 -0.758 324 2HG LYS 44 HG1 LYS 44 16.265 5.423 0.607 325 1HD LYS 44 HD2 LYS 44 16.189 7.653 0.335 326 2HD LYS 44 HD1 LYS 44 16.714 7.494 -1.341 327 1HE LYS 44 HE2 LYS 44 14.106 6.659 -1.506 328 2HE LYS 44 HE1 LYS 44 14.004 7.897 -0.253 329 1HZ LYS 44 HZ3 LYS 44 15.473 9.224 -1.917 330 2HZ LYS 44 HZ2 LYS 44 14.818 8.155 -3.064 331 3HZ LYS 44 HZ1 LYS 44 13.794 9.148 -2.140 332 H PHE 45 HN PHE 45 18.914 4.954 -4.356 333 HA PHE 45 HA PHE 45 20.521 6.246 -5.486 334 1HB PHE 45 HB2 PHE 45 19.207 8.677 -4.242 335 2HB PHE 45 HB1 PHE 45 20.266 8.637 -5.648 336 HD1 PHE 45 HD2 PHE 45 19.510 7.536 -7.759 337 HD2 PHE 45 HD1 PHE 45 16.868 8.135 -4.425 338 HE1 PHE 45 HE2 PHE 45 17.556 7.146 -9.236 339 HE2 PHE 45 HE1 PHE 45 14.915 7.747 -5.900 340 HZ PHE 45 HZ PHE 45 15.258 7.251 -8.307 341 H THR 46 HN THR 46 21.156 5.052 -3.080 342 HA THR 46 HA THR 46 22.942 5.114 -1.544 343 HB THR 46 HB THR 46 23.646 7.936 -2.132 344 HG1 THR 46 HG1 THR 46 24.342 7.484 -4.172 345 1HG2 THR 46 HG23 THR 46 24.924 6.065 -0.811 346 2HG2 THR 46 HG22 THR 46 25.405 5.520 -2.419 347 3HG2 THR 46 HG21 THR 46 25.826 7.145 -1.875 348 H SER 47 HN SER 47 20.210 6.009 -0.951 349 HA SER 47 HA SER 47 20.499 8.295 0.865 350 1HB SER 47 HB2 SER 47 18.372 7.389 -0.480 351 2HB SER 47 HB1 SER 47 18.130 6.479 1.008 352 HG SER 47 HG SER 47 18.690 8.792 1.888 353 H LYS 48 HN LYS 48 19.957 4.776 1.213 354 HA LYS 48 HA LYS 48 21.373 4.854 3.794 355 1HB LYS 48 HB2 LYS 48 18.424 4.352 3.532 356 2HB LYS 48 HB1 LYS 48 19.344 3.526 4.791 357 1HG LYS 48 HG2 LYS 48 20.290 5.920 5.294 358 2HG LYS 48 HG1 LYS 48 18.851 6.468 4.435 359 1HD LYS 48 HD2 LYS 48 17.631 4.737 6.016 360 2HD LYS 48 HD1 LYS 48 19.056 4.979 7.025 361 1HE LYS 48 HE2 LYS 48 17.985 6.805 7.824 362 2HE LYS 48 HE1 LYS 48 18.392 7.559 6.281 363 1HZ LYS 48 HZ2 LYS 48 15.928 5.979 6.786 364 2HZ LYS 48 HZ1 LYS 48 16.007 7.676 6.819 365 3HZ LYS 48 HZ3 LYS 48 16.309 6.843 5.374 366 H ALA 49 HN ALA 49 21.330 3.495 0.996 367 HA ALA 49 HA ALA 49 22.158 0.867 2.010 368 1HB ALA 49 HB3 ALA 49 19.519 1.169 1.131 369 2HB ALA 49 HB2 ALA 49 20.361 0.456 -0.245 370 3HB ALA 49 HB1 ALA 49 20.388 -0.354 1.322 371 H SER 50 HN SER 50 21.118 2.063 -1.197 372 HA SER 50 HA SER 50 23.463 1.002 -2.494 373 1HB SER 50 HB2 SER 50 21.204 1.533 -3.570 374 2HB SER 50 HB1 SER 50 21.700 3.222 -3.557 375 HG SER 50 HG SER 50 23.211 2.799 -5.022 No H/Q in entry = 375 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 -18.144 -5.082 -11.272 2 2H ALA 1 HT3 ALA 1 -18.703 -6.583 -10.715 3 3H ALA 1 HT2 ALA 1 -18.587 -6.288 -12.384 4 HA ALA 1 HA ALA 1 -20.353 -4.730 -12.338 5 1HB ALA 1 HB1 ALA 1 -20.823 -7.299 -10.831 6 2HB ALA 1 HB3 ALA 1 -22.151 -6.186 -11.156 7 3HB ALA 1 HB2 ALA 1 -21.256 -6.904 -12.495 8 H GLU 2 HN GLU 2 -18.709 -5.071 -9.409 9 HA GLU 2 HA GLU 2 -20.743 -3.547 -7.870 10 1HB GLU 2 HB2 GLU 2 -18.312 -5.148 -7.179 11 2HB GLU 2 HB1 GLU 2 -18.780 -3.842 -6.090 12 1HG GLU 2 HG2 GLU 2 -20.042 -5.568 -5.201 13 2HG GLU 2 HG1 GLU 2 -21.189 -4.927 -6.377 14 H GLY 3 HN GLY 3 -20.439 -1.578 -9.167 15 1HA GLY 3 HA2 GLY 3 -17.964 -0.108 -8.352 16 2HA GLY 3 HA1 GLY 3 -18.605 0.025 -9.991 17 H ASP 4 HN ASP 4 -21.102 -0.293 -7.736 18 HA ASP 4 HA ASP 4 -21.390 2.673 -7.506 19 1HB ASP 4 HB2 ASP 4 -23.898 2.241 -7.808 20 2HB ASP 4 HB1 ASP 4 -22.904 2.089 -9.258 21 H ASP 5 HN ASP 5 -21.647 3.248 -5.402 22 HA ASP 5 HA ASP 5 -23.223 1.525 -3.600 23 1HB ASP 5 HB2 ASP 5 -20.304 2.185 -3.102 24 2HB ASP 5 HB1 ASP 5 -21.393 1.508 -1.890 25 HA PRO 6 HA PRO 6 -24.244 5.437 -1.914 26 1HB PRO 6 HB2 PRO 6 -25.069 4.647 0.589 27 2HB PRO 6 HB1 PRO 6 -26.026 4.396 -0.884 28 1HG PRO 6 HG2 PRO 6 -24.457 2.397 0.694 29 2HG PRO 6 HG1 PRO 6 -25.873 2.145 -0.341 30 1HD PRO 6 HD2 PRO 6 -23.186 1.596 -1.057 31 2HD PRO 6 HD1 PRO 6 -24.566 1.677 -2.173 32 H ALA 7 HN ALA 7 -22.193 3.326 0.083 33 HA ALA 7 HA ALA 7 -20.863 5.785 1.150 34 1HB ALA 7 HB3 ALA 7 -22.029 4.424 2.889 35 2HB ALA 7 HB2 ALA 7 -21.017 3.048 2.450 36 3HB ALA 7 HB1 ALA 7 -20.285 4.495 3.144 37 H LYS 8 HN LYS 8 -20.171 4.607 -1.351 38 HA LYS 8 HA LYS 8 -18.072 2.714 -1.267 39 1HB LYS 8 HB2 LYS 8 -19.299 4.042 -3.267 40 2HB LYS 8 HB1 LYS 8 -17.803 4.973 -3.186 41 1HG LYS 8 HG2 LYS 8 -16.836 2.422 -3.026 42 2HG LYS 8 HG1 LYS 8 -18.240 2.188 -4.069 43 1HD LYS 8 HD2 LYS 8 -16.357 4.471 -4.595 44 2HD LYS 8 HD1 LYS 8 -15.943 2.848 -5.149 45 1HE LYS 8 HE2 LYS 8 -18.626 3.161 -5.868 46 2HE LYS 8 HE1 LYS 8 -17.887 4.720 -6.236 47 1HZ LYS 8 HZ3 LYS 8 -16.151 3.549 -7.462 48 2HZ LYS 8 HZ2 LYS 8 -16.913 2.063 -7.140 49 3HZ LYS 8 HZ1 LYS 8 -17.688 3.229 -8.105 50 H ALA 9 HN ALA 9 -18.112 6.068 -0.329 51 HA ALA 9 HA ALA 9 -15.362 6.715 -0.536 52 1HB ALA 9 HB1 ALA 9 -17.534 7.566 1.375 53 2HB ALA 9 HB3 ALA 9 -15.886 8.169 1.549 54 3HB ALA 9 HB2 ALA 9 -16.793 8.493 0.071 55 H ALA 10 HN ALA 10 -16.687 6.244 2.705 56 HA ALA 10 HA ALA 10 -14.288 5.306 3.832 57 1HB ALA 10 HB3 ALA 10 -16.952 5.685 4.704 58 2HB ALA 10 HB2 ALA 10 -16.520 4.029 5.127 59 3HB ALA 10 HB1 ALA 10 -15.531 5.373 5.701 60 H PHE 11 HN PHE 11 -16.999 3.414 2.456 61 HA PHE 11 HA PHE 11 -16.282 0.821 3.028 62 1HB PHE 11 HB2 PHE 11 -18.067 1.761 1.342 63 2HB PHE 11 HB1 PHE 11 -16.801 1.492 0.145 64 HD1 PHE 11 HD1 PHE 11 -15.770 -0.815 -0.062 65 HD2 PHE 11 HD2 PHE 11 -19.313 -0.053 2.243 66 HE1 PHE 11 HE1 PHE 11 -16.312 -3.234 -0.093 67 HE2 PHE 11 HE2 PHE 11 -19.854 -2.473 2.212 68 HZ PHE 11 HZ PHE 11 -18.353 -4.063 1.043 69 H ASP 12 HN ASP 12 -14.757 2.863 0.537 70 HA ASP 12 HA ASP 12 -12.825 0.873 -0.246 71 1HB ASP 12 HB2 ASP 12 -13.274 3.768 -0.715 72 2HB ASP 12 HB1 ASP 12 -11.602 3.223 -0.858 73 H SER 13 HN SER 13 -12.761 3.596 2.057 74 HA SER 13 HA SER 13 -10.008 3.130 2.861 75 1HB SER 13 HB2 SER 13 -12.235 4.892 3.686 76 2HB SER 13 HB1 SER 13 -11.074 4.507 4.952 77 HG SER 13 HG SER 13 -10.706 5.826 2.494 78 H LEU 14 HN LEU 14 -12.867 2.931 5.011 79 HA LEU 14 HA LEU 14 -11.737 1.375 7.021 80 1HB LEU 14 HB2 LEU 14 -14.463 0.430 6.431 81 2HB LEU 14 HB1 LEU 14 -13.831 1.175 7.894 82 HG LEU 14 HG LEU 14 -14.669 2.631 5.377 83 1HD1 LEU 14 HD13 LEU 14 -16.105 1.731 7.708 84 2HD1 LEU 14 HD12 LEU 14 -16.090 3.493 7.660 85 3HD1 LEU 14 HD11 LEU 14 -16.721 2.580 6.290 86 1HD2 LEU 14 HD23 LEU 14 -12.905 3.383 7.517 87 2HD2 LEU 14 HD22 LEU 14 -13.435 4.359 6.147 88 3HD2 LEU 14 HD21 LEU 14 -14.379 4.344 7.637 89 H GLN 15 HN GLN 15 -13.483 0.075 4.168 90 HA GLN 15 HA GLN 15 -12.892 -2.655 4.827 91 1HB GLN 15 HB2 GLN 15 -14.519 -1.496 3.009 92 2HB GLN 15 HB1 GLN 15 -13.175 -1.956 1.958 93 1HG GLN 15 HG2 GLN 15 -14.790 -3.789 2.077 94 2HG GLN 15 HG1 GLN 15 -13.294 -4.263 2.886 95 1HE2 GLN 15 HE22 GLN 15 -14.782 -4.504 6.092 96 2HE2 GLN 15 HE21 GLN 15 -13.340 -4.558 5.197 97 H ALA 16 HN ALA 16 -11.122 -0.190 3.030 98 HA ALA 16 HA ALA 16 -9.208 -1.810 1.782 99 1HB ALA 16 HB1 ALA 16 -9.266 0.974 2.738 100 2HB ALA 16 HB3 ALA 16 -7.670 0.276 2.475 101 3HB ALA 16 HB2 ALA 16 -8.829 0.352 1.149 102 H SER 17 HN SER 17 -8.258 0.024 4.488 103 HA SER 17 HA SER 17 -6.481 -2.122 5.411 104 1HB SER 17 HB2 SER 17 -6.711 -0.005 7.331 105 2HB SER 17 HB1 SER 17 -5.344 -0.391 6.291 106 HG SER 17 HG SER 17 -5.900 1.200 5.033 107 H ALA 18 HN ALA 18 -7.503 -3.820 6.450 108 HA ALA 18 HA ALA 18 -9.270 -3.086 8.744 109 1HB ALA 18 HB1 ALA 18 -9.921 -4.865 6.418 110 2HB ALA 18 HB3 ALA 18 -10.582 -5.260 8.005 111 3HB ALA 18 HB2 ALA 18 -10.950 -3.705 7.259 112 H THR 19 HN THR 19 -8.813 -6.345 7.555 113 HA THR 19 HA THR 19 -6.508 -7.057 9.091 114 HB THR 19 HB THR 19 -7.715 -6.682 11.106 115 HG1 THR 19 HG1 THR 19 -7.750 -8.688 11.932 116 1HG2 THR 19 HG23 THR 19 -9.951 -6.687 9.673 117 2HG2 THR 19 HG22 THR 19 -10.058 -8.339 10.278 118 3HG2 THR 19 HG21 THR 19 -9.984 -6.989 11.410 119 H GLU 20 HN GLU 20 -9.749 -8.434 8.398 120 HA GLU 20 HA GLU 20 -8.834 -11.034 7.699 121 1HB GLU 20 HB2 GLU 20 -11.025 -11.089 6.377 122 2HB GLU 20 HB1 GLU 20 -11.155 -10.776 8.103 123 1HG GLU 20 HG2 GLU 20 -10.731 -8.332 6.555 124 2HG GLU 20 HG1 GLU 20 -12.209 -9.177 6.099 125 H TYR 21 HN TYR 21 -10.448 -10.031 4.995 126 HA TYR 21 HA TYR 21 -8.241 -10.420 3.301 127 1HB TYR 21 HB2 TYR 21 -9.832 -9.677 1.609 128 2HB TYR 21 HB1 TYR 21 -10.536 -10.892 2.617 129 HD1 TYR 21 HD2 TYR 21 -10.510 -7.329 1.709 130 HD2 TYR 21 HD1 TYR 21 -12.289 -10.340 4.195 131 HE1 TYR 21 HE2 TYR 21 -12.356 -5.772 2.271 132 HE2 TYR 21 HE1 TYR 21 -14.136 -8.789 4.758 133 HH TYR 21 HH TYR 21 -15.039 -6.808 4.382 134 H ILE 22 HN ILE 22 -9.069 -7.872 5.350 135 HA ILE 22 HA ILE 22 -8.526 -5.570 5.362 136 HB ILE 22 HB ILE 22 -6.374 -6.616 5.823 137 1HG1 ILE 22 HG12 ILE 22 -5.395 -4.679 3.882 138 2HG1 ILE 22 HG11 ILE 22 -6.759 -4.066 4.792 139 1HG2 ILE 22 HG23 ILE 22 -6.149 -6.725 2.803 140 2HG2 ILE 22 HG22 ILE 22 -4.805 -7.010 3.904 141 3HG2 ILE 22 HG21 ILE 22 -6.188 -8.093 3.914 142 1HD1 ILE 22 HD13 ILE 22 -5.605 -4.770 6.899 143 2HD1 ILE 22 HD12 ILE 22 -4.199 -5.209 5.929 144 3HD1 ILE 22 HD11 ILE 22 -4.728 -3.528 6.005 145 H GLY 23 HN GLY 23 -10.307 -5.797 3.392 146 1HA GLY 23 HA2 GLY 23 -10.896 -5.107 1.186 147 2HA GLY 23 HA1 GLY 23 -9.950 -3.683 1.649 148 H TYR 24 HN TYR 24 -7.842 -3.502 0.956 149 HA TYR 24 HA TYR 24 -6.302 -5.581 -0.130 150 1HB TYR 24 HB2 TYR 24 -8.262 -4.780 -1.954 151 2HB TYR 24 HB1 TYR 24 -6.769 -4.001 -2.501 152 HD1 TYR 24 HD2 TYR 24 -4.763 -5.315 -2.990 153 HD2 TYR 24 HD1 TYR 24 -8.449 -7.199 -1.858 154 HE1 TYR 24 HE2 TYR 24 -3.866 -7.495 -3.726 155 HE2 TYR 24 HE1 TYR 24 -7.552 -9.385 -2.587 156 HH TYR 24 HH TYR 24 -5.760 -10.173 -4.266 157 H ALA 25 HN ALA 25 -6.018 -3.453 1.632 158 HA ALA 25 HA ALA 25 -4.234 -1.563 0.191 159 1HB ALA 25 HB3 ALA 25 -6.082 -0.998 2.063 160 2HB ALA 25 HB2 ALA 25 -4.718 -1.342 3.126 161 3HB ALA 25 HB1 ALA 25 -4.591 -0.070 1.911 162 H TRP 26 HN TRP 26 -4.329 -4.186 2.537 163 HA TRP 26 HA TRP 26 -1.656 -3.854 3.550 164 1HB TRP 26 HB2 TRP 26 -2.130 -5.726 4.747 165 2HB TRP 26 HB1 TRP 26 -3.752 -5.529 4.104 166 HD1 TRP 26 HD1 TRP 26 -1.210 -8.030 4.434 167 HE1 TRP 26 HE1 TRP 26 -1.514 -9.973 2.799 168 HE3 TRP 26 HE3 TRP 26 -4.474 -5.895 1.171 169 HZ2 TRP 26 HZ2 TRP 26 -2.958 -10.560 0.414 170 HZ3 TRP 26 HZ3 TRP 26 -5.313 -7.178 -0.780 171 HH2 TRP 26 HH2 TRP 26 -4.548 -9.506 -1.164 172 H ALA 27 HN ALA 27 -2.840 -5.087 0.530 173 HA ALA 27 HA ALA 27 -0.452 -6.577 -0.174 174 1HB ALA 27 HB1 ALA 27 -3.010 -6.392 -1.221 175 2HB ALA 27 HB3 ALA 27 -2.047 -5.505 -2.399 176 3HB ALA 27 HB2 ALA 27 -1.649 -7.180 -2.014 177 H MET 28 HN MET 28 -1.860 -3.559 -1.403 178 HA MET 28 HA MET 28 0.396 -2.672 -2.755 179 1HB MET 28 HB2 MET 28 -2.099 -1.692 -2.463 180 2HB MET 28 HB1 MET 28 -1.225 -0.618 -1.371 181 1HG MET 28 HG2 MET 28 -0.073 0.391 -3.068 182 2HG MET 28 HG1 MET 28 0.063 -1.102 -3.998 183 1HE MET 28 HE3 MET 28 -0.588 -0.716 -6.241 184 2HE MET 28 HE2 MET 28 -1.623 -2.008 -5.640 185 3HE MET 28 HE1 MET 28 -2.299 -0.766 -6.692 186 H VAL 29 HN VAL 29 -0.339 -2.889 0.568 187 HA VAL 29 HA VAL 29 1.347 -0.913 1.679 188 HB VAL 29 HB VAL 29 -0.211 -3.214 2.571 189 1HG1 VAL 29 HG11 VAL 29 2.030 -4.218 3.052 190 2HG1 VAL 29 HG13 VAL 29 2.447 -2.802 4.018 191 3HG1 VAL 29 HG12 VAL 29 1.135 -3.864 4.530 192 1HG2 VAL 29 HG22 VAL 29 0.310 -0.499 3.248 193 2HG2 VAL 29 HG21 VAL 29 -0.934 -1.558 3.911 194 3HG2 VAL 29 HG23 VAL 29 0.644 -1.454 4.692 195 H VAL 30 HN VAL 30 2.040 -4.349 0.916 196 HA VAL 30 HA VAL 30 4.838 -4.132 1.627 197 HB VAL 30 HB VAL 30 3.604 -6.154 -0.261 198 1HG1 VAL 30 HG11 VAL 30 5.985 -6.187 1.619 199 2HG1 VAL 30 HG13 VAL 30 5.387 -7.601 0.750 200 3HG1 VAL 30 HG12 VAL 30 6.033 -6.225 -0.144 201 1HG2 VAL 30 HG23 VAL 30 3.340 -5.797 2.695 202 2HG2 VAL 30 HG22 VAL 30 2.195 -6.483 1.542 203 3HG2 VAL 30 HG21 VAL 30 3.571 -7.438 2.095 204 H VAL 31 HN VAL 31 2.964 -3.576 -1.285 205 HA VAL 31 HA VAL 31 5.017 -3.644 -3.225 206 HB VAL 31 HB VAL 31 2.538 -1.921 -3.003 207 1HG1 VAL 31 HG13 VAL 31 4.740 -1.950 -5.027 208 2HG1 VAL 31 HG12 VAL 31 3.085 -1.787 -5.611 209 3HG1 VAL 31 HG11 VAL 31 3.739 -0.605 -4.478 210 1HG2 VAL 31 HG22 VAL 31 3.041 -4.630 -3.729 211 2HG2 VAL 31 HG21 VAL 31 1.515 -3.752 -3.827 212 3HG2 VAL 31 HG23 VAL 31 2.614 -3.765 -5.207 213 H ILE 32 HN ILE 32 3.858 -0.784 -1.368 214 HA ILE 32 HA ILE 32 5.892 0.943 -2.359 215 HB ILE 32 HB ILE 32 3.928 1.759 -1.230 216 1HG1 ILE 32 HG12 ILE 32 4.985 3.536 0.009 217 2HG1 ILE 32 HG11 ILE 32 6.403 2.525 0.292 218 1HG2 ILE 32 HG21 ILE 32 3.811 -0.024 0.500 219 2HG2 ILE 32 HG23 ILE 32 5.175 0.743 1.308 220 3HG2 ILE 32 HG22 ILE 32 3.640 1.597 1.167 221 1HD1 ILE 32 HD11 ILE 32 5.450 3.272 -2.482 222 2HD1 ILE 32 HD13 ILE 32 6.638 4.222 -1.591 223 3HD1 ILE 32 HD12 ILE 32 6.995 2.553 -2.032 224 H VAL 33 HN VAL 33 5.765 -0.924 0.717 225 HA VAL 33 HA VAL 33 8.270 -0.076 1.682 226 HB VAL 33 HB VAL 33 6.987 -2.832 1.766 227 1HG1 VAL 33 HG12 VAL 33 9.512 -1.798 3.076 228 2HG1 VAL 33 HG11 VAL 33 8.634 -3.205 3.676 229 3HG1 VAL 33 HG13 VAL 33 9.331 -3.226 2.056 230 1HG2 VAL 33 HG21 VAL 33 6.646 -0.359 3.217 231 2HG2 VAL 33 HG23 VAL 33 5.743 -1.865 3.379 232 3HG2 VAL 33 HG22 VAL 33 7.218 -1.615 4.314 233 H GLY 34 HN GLY 34 7.494 -1.992 -1.093 234 1HA GLY 34 HA2 GLY 34 10.158 -3.098 -1.474 235 2HA GLY 34 HA1 GLY 34 8.923 -2.919 -2.733 236 H ALA 35 HN ALA 35 8.379 -0.288 -2.716 237 HA ALA 35 HA ALA 35 10.588 0.892 -4.113 238 1HB ALA 35 HB2 ALA 35 7.837 1.594 -3.444 239 2HB ALA 35 HB1 ALA 35 8.913 2.989 -3.354 240 3HB ALA 35 HB3 ALA 35 8.800 2.057 -4.847 241 H THR 36 HN THR 36 9.150 1.771 -0.861 242 HA THR 36 HA THR 36 11.030 3.753 -0.200 243 HB THR 36 HB THR 36 9.812 1.704 1.679 244 HG1 THR 36 HG1 THR 36 8.400 3.691 1.952 245 1HG2 THR 36 HG21 THR 36 10.897 4.490 2.168 246 2HG2 THR 36 HG23 THR 36 10.126 3.462 3.376 247 3HG2 THR 36 HG22 THR 36 11.669 2.985 2.668 248 H ILE 37 HN ILE 37 11.197 0.357 0.902 249 HA ILE 37 HA ILE 37 13.926 0.521 1.775 250 HB ILE 37 HB ILE 37 12.379 -1.894 0.826 251 1HG1 ILE 37 HG12 ILE 37 12.534 -0.439 3.477 252 2HG1 ILE 37 HG11 ILE 37 11.095 -0.890 2.564 253 1HG2 ILE 37 HG23 ILE 37 14.882 -2.143 1.069 254 2HG2 ILE 37 HG22 ILE 37 14.702 -1.709 2.769 255 3HG2 ILE 37 HG21 ILE 37 13.949 -3.179 2.149 256 1HD1 ILE 37 HD13 ILE 37 11.789 -3.321 2.923 257 2HD1 ILE 37 HD12 ILE 37 12.970 -2.714 4.084 258 3HD1 ILE 37 HD11 ILE 37 11.248 -2.459 4.363 259 H GLY 38 HN GLY 38 12.594 0.348 -1.338 260 1HA GLY 38 HA2 GLY 38 14.715 -1.047 -2.710 261 2HA GLY 38 HA1 GLY 38 13.490 -0.033 -3.479 262 H ILE 39 HN ILE 39 13.795 2.396 -2.936 263 HA ILE 39 HA ILE 39 16.342 3.231 -3.904 264 HB ILE 39 HB ILE 39 14.193 4.754 -2.391 265 1HG1 ILE 39 HG12 ILE 39 14.644 5.392 -5.204 266 2HG1 ILE 39 HG11 ILE 39 14.220 3.695 -4.980 267 1HG2 ILE 39 HG23 ILE 39 16.453 5.808 -2.227 268 2HG2 ILE 39 HG22 ILE 39 16.539 5.824 -3.989 269 3HG2 ILE 39 HG21 ILE 39 15.313 6.781 -3.157 270 1HD1 ILE 39 HD12 ILE 39 12.253 4.379 -3.630 271 2HD1 ILE 39 HD11 ILE 39 12.662 6.070 -3.916 272 3HD1 ILE 39 HD13 ILE 39 12.185 5.038 -5.264 273 H LYS 40 HN LYS 40 15.286 2.139 -0.822 274 HA LYS 40 HA LYS 40 17.035 3.715 0.846 275 1HB LYS 40 HB2 LYS 40 15.459 1.254 1.092 276 2HB LYS 40 HB1 LYS 40 16.926 1.241 2.069 277 1HG LYS 40 HG2 LYS 40 15.060 3.613 2.051 278 2HG LYS 40 HG1 LYS 40 14.820 2.255 3.150 279 1HD LYS 40 HD2 LYS 40 17.539 2.828 3.374 280 2HD LYS 40 HD1 LYS 40 16.772 4.414 3.287 281 1HE LYS 40 HE2 LYS 40 15.944 2.189 5.174 282 2HE LYS 40 HE1 LYS 40 16.923 3.584 5.625 283 1HZ LYS 40 HZ3 LYS 40 14.962 4.902 4.605 284 2HZ LYS 40 HZ2 LYS 40 14.081 3.473 4.870 285 3HZ LYS 40 HZ1 LYS 40 14.818 4.276 6.175 286 H LEU 41 HN LEU 41 17.531 0.286 -0.108 287 HA LEU 41 HA LEU 41 20.379 0.433 0.433 288 1HB LEU 41 HB2 LEU 41 18.574 -1.585 -0.883 289 2HB LEU 41 HB1 LEU 41 20.325 -1.781 -0.956 290 HG LEU 41 HG LEU 41 19.193 -2.937 1.002 291 1HD1 LEU 41 HD13 LEU 41 21.599 -1.443 0.854 292 2HD1 LEU 41 HD12 LEU 41 20.917 -1.138 2.451 293 3HD1 LEU 41 HD11 LEU 41 21.239 -2.792 1.932 294 1HD2 LEU 41 HD22 LEU 41 17.598 -0.991 1.378 295 2HD2 LEU 41 HD21 LEU 41 18.396 -1.592 2.832 296 3HD2 LEU 41 HD23 LEU 41 18.961 -0.108 2.065 297 H PHE 42 HN PHE 42 18.415 0.991 -2.410 298 HA PHE 42 HA PHE 42 20.426 0.755 -4.415 299 1HB PHE 42 HB2 PHE 42 17.738 1.897 -4.196 300 2HB PHE 42 HB1 PHE 42 18.777 2.809 -5.292 301 HD1 PHE 42 HD1 PHE 42 20.455 1.000 -6.633 302 HD2 PHE 42 HD2 PHE 42 16.422 0.347 -5.311 303 HE1 PHE 42 HE1 PHE 42 20.175 -0.758 -8.360 304 HE2 PHE 42 HE2 PHE 42 16.140 -1.412 -7.038 305 HZ PHE 42 HZ PHE 42 18.016 -1.964 -8.563 306 H LYS 43 HN LYS 43 19.196 3.748 -2.876 307 HA LYS 43 HA LYS 43 21.330 5.384 -3.899 308 1HB LYS 43 HB2 LYS 43 19.407 5.760 -1.588 309 2HB LYS 43 HB1 LYS 43 20.568 6.992 -2.082 310 1HG LYS 43 HG2 LYS 43 18.949 5.839 -4.275 311 2HG LYS 43 HG1 LYS 43 18.051 6.803 -3.101 312 1HD LYS 43 HD2 LYS 43 19.682 8.652 -3.397 313 2HD LYS 43 HD1 LYS 43 20.521 7.693 -4.616 314 1HE LYS 43 HE2 LYS 43 17.586 8.067 -4.970 315 2HE LYS 43 HE1 LYS 43 18.620 9.464 -5.273 316 1HZ LYS 43 HZ2 LYS 43 20.001 7.881 -6.665 317 2HZ LYS 43 HZ1 LYS 43 18.676 6.821 -6.592 318 3HZ LYS 43 HZ3 LYS 43 18.498 8.349 -7.303 319 H LYS 44 HN LYS 44 21.103 3.237 -1.180 320 HA LYS 44 HA LYS 44 23.274 4.413 0.350 321 1HB LYS 44 HB2 LYS 44 21.392 2.637 0.969 322 2HB LYS 44 HB1 LYS 44 22.670 1.510 0.518 323 1HG LYS 44 HG2 LYS 44 24.013 2.102 2.284 324 2HG LYS 44 HG1 LYS 44 23.452 3.775 2.281 325 1HD LYS 44 HD2 LYS 44 22.109 3.268 4.012 326 2HD LYS 44 HD1 LYS 44 21.196 2.211 2.933 327 1HE LYS 44 HE2 LYS 44 21.948 0.924 4.864 328 2HE LYS 44 HE1 LYS 44 22.812 0.374 3.427 329 1HZ LYS 44 HZ3 LYS 44 23.954 2.504 5.107 330 2HZ LYS 44 HZ2 LYS 44 24.122 0.879 5.574 331 3HZ LYS 44 HZ1 LYS 44 24.744 1.407 4.085 332 H PHE 45 HN PHE 45 23.187 2.814 -2.569 333 HA PHE 45 HA PHE 45 25.689 1.321 -2.299 334 1HB PHE 45 HB2 PHE 45 23.520 1.165 -4.007 335 2HB PHE 45 HB1 PHE 45 24.760 1.903 -5.021 336 HD1 PHE 45 HD1 PHE 45 24.508 -0.812 -2.432 337 HD2 PHE 45 HD2 PHE 45 26.146 0.455 -6.196 338 HE1 PHE 45 HE1 PHE 45 25.608 -3.019 -2.695 339 HE2 PHE 45 HE2 PHE 45 27.248 -1.751 -6.458 340 HZ PHE 45 HZ PHE 45 26.978 -3.488 -4.707 341 H THR 46 HN THR 46 25.762 4.238 -1.776 342 HA THR 46 HA THR 46 27.457 5.848 -2.118 343 HB THR 46 HB THR 46 28.254 4.589 -4.725 344 HG1 THR 46 HG1 THR 46 28.984 2.861 -3.785 345 1HG2 THR 46 HG22 THR 46 29.288 6.510 -2.837 346 2HG2 THR 46 HG21 THR 46 30.434 5.184 -3.035 347 3HG2 THR 46 HG23 THR 46 29.893 6.100 -4.441 348 H SER 47 HN SER 47 24.758 6.096 -2.921 349 HA SER 47 HA SER 47 25.033 7.615 -5.490 350 1HB SER 47 HB2 SER 47 23.229 5.626 -4.865 351 2HB SER 47 HB1 SER 47 22.306 7.089 -4.534 352 HG SER 47 HG SER 47 22.095 7.217 -6.615 353 H LYS 48 HN LYS 48 23.557 7.716 -2.237 354 HA LYS 48 HA LYS 48 23.931 10.637 -2.205 355 1HB LYS 48 HB2 LYS 48 21.250 9.319 -2.403 356 2HB LYS 48 HB1 LYS 48 21.411 10.770 -1.413 357 1HG LYS 48 HG2 LYS 48 22.783 11.509 -3.664 358 2HG LYS 48 HG1 LYS 48 21.527 10.477 -4.348 359 1HD LYS 48 HD2 LYS 48 20.136 11.988 -2.488 360 2HD LYS 48 HD1 LYS 48 21.297 13.142 -3.148 361 1HE LYS 48 HE2 LYS 48 20.176 11.522 -5.269 362 2HE LYS 48 HE1 LYS 48 18.889 12.296 -4.343 363 1HZ LYS 48 HZ3 LYS 48 20.508 14.338 -4.555 364 2HZ LYS 48 HZ2 LYS 48 21.021 13.503 -5.942 365 3HZ LYS 48 HZ1 LYS 48 19.394 13.964 -5.778 366 H ALA 49 HN ALA 49 24.592 8.025 -0.682 367 HA ALA 49 HA ALA 49 24.971 7.465 1.565 368 1HB ALA 49 HB3 ALA 49 25.192 10.258 1.389 369 2HB ALA 49 HB2 ALA 49 24.143 9.970 2.777 370 3HB ALA 49 HB1 ALA 49 25.748 9.241 2.718 371 H SER 50 HN SER 50 22.706 6.395 0.865 372 HA SER 50 HA SER 50 20.578 5.722 1.587 373 1HB SER 50 HB2 SER 50 21.795 5.353 3.704 374 2HB SER 50 HB1 SER 50 21.523 7.032 4.159 375 HG SER 50 HG SER 50 19.940 4.974 4.569 No H/Q in entry = 375 Start of MODEL 10 1 1H ALA 1 HT3 ALA 1 -4.452 8.648 -13.037 2 2H ALA 1 HT2 ALA 1 -3.778 7.306 -13.831 3 3H ALA 1 HT1 ALA 1 -4.487 8.561 -14.730 4 HA ALA 1 HA ALA 1 -6.609 7.904 -14.294 5 1HB ALA 1 HB1 ALA 1 -5.450 6.081 -15.497 6 2HB ALA 1 HB3 ALA 1 -5.002 5.351 -13.956 7 3HB ALA 1 HB2 ALA 1 -6.699 5.442 -14.428 8 H GLU 2 HN GLU 2 -4.387 7.325 -11.704 9 HA GLU 2 HA GLU 2 -6.706 7.119 -9.840 10 1HB GLU 2 HB2 GLU 2 -4.152 5.512 -9.548 11 2HB GLU 2 HB1 GLU 2 -5.594 5.409 -8.538 12 1HG GLU 2 HG2 GLU 2 -6.695 4.965 -10.978 13 2HG GLU 2 HG1 GLU 2 -5.089 4.280 -11.232 14 H GLY 3 HN GLY 3 -6.351 9.360 -9.351 15 1HA GLY 3 HA2 GLY 3 -3.833 9.868 -7.811 16 2HA GLY 3 HA1 GLY 3 -4.616 11.114 -8.785 17 H ASP 4 HN ASP 4 -5.912 8.733 -6.446 18 HA ASP 4 HA ASP 4 -6.899 11.029 -4.820 19 1HB ASP 4 HB2 ASP 4 -8.553 9.570 -6.483 20 2HB ASP 4 HB1 ASP 4 -8.749 8.753 -4.932 21 H ASP 5 HN ASP 5 -6.739 10.682 -2.628 22 HA ASP 5 HA ASP 5 -6.256 7.914 -1.659 23 1HB ASP 5 HB2 ASP 5 -4.548 10.159 -0.616 24 2HB ASP 5 HB1 ASP 5 -4.234 8.423 -0.602 25 HA PRO 6 HA PRO 6 -9.084 10.454 0.980 26 1HB PRO 6 HB2 PRO 6 -11.269 8.805 0.710 27 2HB PRO 6 HB1 PRO 6 -10.933 10.171 -0.369 28 1HG PRO 6 HG2 PRO 6 -10.607 7.246 -0.892 29 2HG PRO 6 HG1 PRO 6 -10.879 8.566 -2.043 30 1HD PRO 6 HD2 PRO 6 -8.387 7.313 -1.510 31 2HD PRO 6 HD1 PRO 6 -8.627 8.823 -2.409 32 H ALA 7 HN ALA 7 -7.382 9.387 2.451 33 HA ALA 7 HA ALA 7 -7.080 8.251 4.490 34 1HB ALA 7 HB2 ALA 7 -9.836 8.355 4.212 35 2HB ALA 7 HB1 ALA 7 -9.512 6.629 4.376 36 3HB ALA 7 HB3 ALA 7 -8.969 7.750 5.624 37 H LYS 8 HN LYS 8 -6.306 7.252 1.837 38 HA LYS 8 HA LYS 8 -6.805 4.436 1.621 39 1HB LYS 8 HB2 LYS 8 -5.532 6.319 0.068 40 2HB LYS 8 HB1 LYS 8 -4.178 5.355 0.662 41 1HG LYS 8 HG2 LYS 8 -5.016 3.367 -0.288 42 2HG LYS 8 HG1 LYS 8 -6.644 4.025 -0.450 43 1HD LYS 8 HD2 LYS 8 -6.094 5.289 -2.332 44 2HD LYS 8 HD1 LYS 8 -4.379 5.335 -1.923 45 1HE LYS 8 HE2 LYS 8 -3.965 3.247 -2.814 46 2HE LYS 8 HE1 LYS 8 -5.592 2.663 -2.469 47 1HZ LYS 8 HZ1 LYS 8 -4.918 4.661 -4.558 48 2HZ LYS 8 HZ3 LYS 8 -5.191 3.014 -4.850 49 3HZ LYS 8 HZ2 LYS 8 -6.450 3.990 -4.260 50 H ALA 9 HN ALA 9 -4.890 6.254 3.800 51 HA ALA 9 HA ALA 9 -2.734 4.515 4.344 52 1HB ALA 9 HB3 ALA 9 -4.350 6.367 6.100 53 2HB ALA 9 HB2 ALA 9 -3.018 5.414 6.757 54 3HB ALA 9 HB1 ALA 9 -2.713 6.594 5.481 55 H ALA 10 HN ALA 10 -5.385 4.683 6.697 56 HA ALA 10 HA ALA 10 -5.041 1.934 7.455 57 1HB ALA 10 HB2 ALA 10 -7.007 4.090 8.082 58 2HB ALA 10 HB1 ALA 10 -7.467 2.425 8.440 59 3HB ALA 10 HB3 ALA 10 -6.020 3.117 9.173 60 H PHE 11 HN PHE 11 -7.435 3.579 5.356 61 HA PHE 11 HA PHE 11 -9.234 1.542 4.848 62 1HB PHE 11 HB2 PHE 11 -9.028 3.846 3.682 63 2HB PHE 11 HB1 PHE 11 -7.982 3.015 2.531 64 HD1 PHE 11 HD1 PHE 11 -11.385 2.944 4.067 65 HD2 PHE 11 HD2 PHE 11 -8.889 1.618 0.826 66 HE1 PHE 11 HE1 PHE 11 -13.378 2.047 2.896 67 HE2 PHE 11 HE2 PHE 11 -10.886 0.723 -0.341 68 HZ PHE 11 HZ PHE 11 -13.129 0.937 0.694 69 H ASP 12 HN ASP 12 -5.995 1.852 3.386 70 HA ASP 12 HA ASP 12 -6.193 -0.619 1.916 71 1HB ASP 12 HB2 ASP 12 -4.478 1.419 1.748 72 2HB ASP 12 HB1 ASP 12 -3.538 0.402 2.839 73 H SER 13 HN SER 13 -4.921 0.263 5.123 74 HA SER 13 HA SER 13 -3.920 -2.406 5.703 75 1HB SER 13 HB2 SER 13 -4.253 0.143 7.181 76 2HB SER 13 HB1 SER 13 -4.249 -1.319 8.162 77 HG SER 13 HG SER 13 -2.172 -0.081 7.232 78 H LEU 14 HN LEU 14 -6.467 -0.718 7.559 79 HA LEU 14 HA LEU 14 -7.670 -2.957 8.692 80 1HB LEU 14 HB2 LEU 14 -9.699 -1.044 7.694 81 2HB LEU 14 HB1 LEU 14 -9.391 -1.591 9.338 82 HG LEU 14 HG LEU 14 -7.835 0.512 7.819 83 1HD1 LEU 14 HD12 LEU 14 -10.020 0.536 9.822 84 2HD1 LEU 14 HD11 LEU 14 -8.707 1.679 10.106 85 3HD1 LEU 14 HD13 LEU 14 -9.607 1.729 8.590 86 1HD2 LEU 14 HD23 LEU 14 -6.912 -1.215 9.827 87 2HD2 LEU 14 HD22 LEU 14 -6.168 0.309 9.342 88 3HD2 LEU 14 HD21 LEU 14 -7.317 0.276 10.680 89 H GLN 15 HN GLN 15 -8.676 -1.466 5.591 90 HA GLN 15 HA GLN 15 -10.534 -3.524 4.906 91 1HB GLN 15 HB2 GLN 15 -10.083 -1.212 3.767 92 2HB GLN 15 HB1 GLN 15 -8.916 -2.113 2.799 93 1HG GLN 15 HG2 GLN 15 -11.012 -2.132 1.604 94 2HG GLN 15 HG1 GLN 15 -10.761 -3.752 2.257 95 1HE2 GLN 15 HE22 GLN 15 -13.567 -3.610 4.408 96 2HE2 GLN 15 HE21 GLN 15 -12.205 -4.494 3.916 97 H ALA 16 HN ALA 16 -7.024 -3.277 4.362 98 HA ALA 16 HA ALA 16 -6.590 -5.372 2.628 99 1HB ALA 16 HB3 ALA 16 -5.038 -4.083 4.670 100 2HB ALA 16 HB2 ALA 16 -4.674 -5.801 4.596 101 3HB ALA 16 HB1 ALA 16 -4.486 -4.797 3.160 102 H SER 17 HN SER 17 -6.302 -5.851 5.999 103 HA SER 17 HA SER 17 -7.010 -8.684 5.753 104 1HB SER 17 HB2 SER 17 -6.868 -7.300 8.403 105 2HB SER 17 HB1 SER 17 -6.300 -8.905 7.954 106 HG SER 17 HG SER 17 -4.796 -6.892 8.227 107 H ALA 18 HN ALA 18 -9.185 -8.089 4.793 108 HA ALA 18 HA ALA 18 -11.126 -7.227 6.899 109 1HB ALA 18 HB3 ALA 18 -10.974 -6.887 3.961 110 2HB ALA 18 HB2 ALA 18 -12.583 -7.194 4.615 111 3HB ALA 18 HB1 ALA 18 -11.647 -5.814 5.188 112 H THR 19 HN THR 19 -10.047 -9.997 6.615 113 HA THR 19 HA THR 19 -10.824 -12.222 6.453 114 HB THR 19 HB THR 19 -11.967 -12.126 8.418 115 HG1 THR 19 HG1 THR 19 -14.354 -12.150 7.949 116 1HG2 THR 19 HG21 THR 19 -12.053 -9.590 8.204 117 2HG2 THR 19 HG23 THR 19 -13.643 -9.795 7.469 118 3HG2 THR 19 HG22 THR 19 -13.364 -10.320 9.128 119 H GLU 20 HN GLU 20 -14.066 -10.870 5.886 120 HA GLU 20 HA GLU 20 -15.026 -12.539 3.956 121 1HB GLU 20 HB2 GLU 20 -16.199 -10.505 2.946 122 2HB GLU 20 HB1 GLU 20 -16.464 -10.823 4.653 123 1HG GLU 20 HG2 GLU 20 -14.129 -9.118 4.018 124 2HG GLU 20 HG1 GLU 20 -15.708 -8.405 3.696 125 H TYR 21 HN TYR 21 -14.702 -9.798 2.092 126 HA TYR 21 HA TYR 21 -13.333 -11.189 0.055 127 1HB TYR 21 HB2 TYR 21 -13.443 -8.946 -1.017 128 2HB TYR 21 HB1 TYR 21 -14.993 -9.551 -0.550 129 HD1 TYR 21 HD2 TYR 21 -12.341 -7.098 0.144 130 HD2 TYR 21 HD1 TYR 21 -16.228 -8.521 1.292 131 HE1 TYR 21 HE2 TYR 21 -12.694 -5.048 1.492 132 HE2 TYR 21 HE1 TYR 21 -16.581 -6.470 2.637 133 HH TYR 21 HH TYR 21 -15.587 -3.996 2.511 134 H ILE 22 HN ILE 22 -12.329 -9.843 2.911 135 HA ILE 22 HA ILE 22 -10.334 -9.041 3.759 136 HB ILE 22 HB ILE 22 -9.767 -11.373 3.066 137 1HG1 ILE 22 HG12 ILE 22 -7.264 -9.905 2.512 138 2HG1 ILE 22 HG11 ILE 22 -8.123 -9.392 3.963 139 1HG2 ILE 22 HG22 ILE 22 -8.884 -9.930 0.570 140 2HG2 ILE 22 HG21 ILE 22 -8.230 -11.501 1.027 141 3HG2 ILE 22 HG23 ILE 22 -9.953 -11.326 0.706 142 1HD1 ILE 22 HD11 ILE 22 -7.875 -12.326 3.523 143 2HD1 ILE 22 HD13 ILE 22 -6.404 -11.462 3.972 144 3HD1 ILE 22 HD12 ILE 22 -7.816 -11.406 5.027 145 H GLY 23 HN GLY 23 -11.458 -7.127 2.133 146 1HA GLY 23 HA2 GLY 23 -10.966 -5.339 0.623 147 2HA GLY 23 HA1 GLY 23 -9.596 -5.186 1.721 148 H TYR 24 HN TYR 24 -10.029 -7.954 -0.367 149 HA TYR 24 HA TYR 24 -8.487 -8.927 -1.792 150 1HB TYR 24 HB2 TYR 24 -9.997 -7.218 -3.092 151 2HB TYR 24 HB1 TYR 24 -8.479 -6.326 -3.260 152 HD1 TYR 24 HD1 TYR 24 -6.475 -7.512 -4.124 153 HD2 TYR 24 HD2 TYR 24 -10.393 -9.189 -4.365 154 HE1 TYR 24 HE1 TYR 24 -5.660 -9.108 -5.828 155 HE2 TYR 24 HE2 TYR 24 -9.602 -10.796 -6.076 156 HH TYR 24 HH TYR 24 -7.890 -11.463 -7.328 157 H ALA 25 HN ALA 25 -7.040 -8.392 0.229 158 HA ALA 25 HA ALA 25 -4.581 -7.128 -0.877 159 1HB ALA 25 HB3 ALA 25 -6.013 -5.781 0.931 160 2HB ALA 25 HB2 ALA 25 -5.142 -6.835 2.045 161 3HB ALA 25 HB1 ALA 25 -4.252 -5.765 0.962 162 H TRP 26 HN TRP 26 -6.107 -9.558 1.090 163 HA TRP 26 HA TRP 26 -4.173 -10.687 2.625 164 1HB TRP 26 HB2 TRP 26 -5.399 -12.636 2.545 165 2HB TRP 26 HB1 TRP 26 -6.571 -11.518 1.865 166 HD1 TRP 26 HD1 TRP 26 -5.290 -14.774 1.256 167 HE1 TRP 26 HE1 TRP 26 -5.548 -15.505 -1.176 168 HE3 TRP 26 HE3 TRP 26 -6.175 -10.242 -0.984 169 HZ2 TRP 26 HZ2 TRP 26 -6.044 -14.373 -3.733 170 HZ3 TRP 26 HZ3 TRP 26 -6.531 -10.133 -3.418 171 HH2 TRP 26 HH2 TRP 26 -6.466 -12.181 -4.800 172 H ALA 27 HN ALA 27 -4.024 -10.499 -0.882 173 HA ALA 27 HA ALA 27 -1.493 -12.070 -0.731 174 1HB ALA 27 HB2 ALA 27 -3.283 -13.215 -2.026 175 2HB ALA 27 HB1 ALA 27 -3.360 -11.821 -3.104 176 3HB ALA 27 HB3 ALA 27 -1.893 -12.798 -3.029 177 H MET 28 HN MET 28 -2.982 -9.914 -3.141 178 HA MET 28 HA MET 28 -0.707 -8.829 -4.183 179 1HB MET 28 HB2 MET 28 -3.444 -8.295 -4.365 180 2HB MET 28 HB1 MET 28 -2.702 -6.759 -3.912 181 1HG MET 28 HG2 MET 28 -1.075 -8.063 -5.903 182 2HG MET 28 HG1 MET 28 -2.740 -7.954 -6.478 183 1HE MET 28 HE2 MET 28 -1.851 -6.917 -8.237 184 2HE MET 28 HE1 MET 28 -2.818 -5.444 -8.263 185 3HE MET 28 HE3 MET 28 -1.053 -5.351 -8.369 186 H VAL 29 HN VAL 29 -2.245 -7.997 -1.137 187 HA VAL 29 HA VAL 29 -0.943 -5.529 -0.649 188 HB VAL 29 HB VAL 29 -2.785 -6.858 0.731 189 1HG1 VAL 29 HG11 VAL 29 -0.199 -7.575 2.160 190 2HG1 VAL 29 HG13 VAL 29 -1.816 -7.777 2.835 191 3HG1 VAL 29 HG12 VAL 29 -1.327 -8.711 1.425 192 1HG2 VAL 29 HG22 VAL 29 -1.019 -4.641 1.249 193 2HG2 VAL 29 HG21 VAL 29 -2.690 -4.863 1.771 194 3HG2 VAL 29 HG23 VAL 29 -1.366 -5.475 2.765 195 H VAL 30 HN VAL 30 0.133 -8.827 0.305 196 HA VAL 30 HA VAL 30 2.612 -8.007 1.438 197 HB VAL 30 HB VAL 30 1.910 -10.584 -0.008 198 1HG1 VAL 30 HG13 VAL 30 4.304 -9.713 1.603 199 2HG1 VAL 30 HG12 VAL 30 3.836 -11.412 1.531 200 3HG1 VAL 30 HG11 VAL 30 4.265 -10.551 0.053 201 1HG2 VAL 30 HG21 VAL 30 1.054 -9.498 2.472 202 2HG2 VAL 30 HG23 VAL 30 0.794 -11.137 1.872 203 3HG2 VAL 30 HG22 VAL 30 2.213 -10.771 2.854 204 H VAL 31 HN VAL 31 1.909 -9.217 -1.862 205 HA VAL 31 HA VAL 31 4.429 -8.892 -3.017 206 HB VAL 31 HB VAL 31 1.685 -8.290 -4.155 207 1HG1 VAL 31 HG11 VAL 31 3.407 -7.009 -5.388 208 2HG1 VAL 31 HG13 VAL 31 4.339 -8.490 -5.612 209 3HG1 VAL 31 HG12 VAL 31 2.756 -8.321 -6.372 210 1HG2 VAL 31 HG23 VAL 31 3.025 -10.675 -3.525 211 2HG2 VAL 31 HG22 VAL 31 1.591 -10.513 -4.538 212 3HG2 VAL 31 HG21 VAL 31 3.195 -10.510 -5.272 213 H ILE 32 HN ILE 32 2.076 -6.433 -2.108 214 HA ILE 32 HA ILE 32 3.427 -4.248 -3.397 215 HB ILE 32 HB ILE 32 1.061 -4.548 -1.978 216 1HG1 ILE 32 HG12 ILE 32 2.394 -2.023 -2.932 217 2HG1 ILE 32 HG11 ILE 32 1.445 -3.123 -3.935 218 1HG2 ILE 32 HG22 ILE 32 2.859 -2.635 -0.497 219 2HG2 ILE 32 HG21 ILE 32 1.111 -2.725 -0.291 220 3HG2 ILE 32 HG23 ILE 32 2.126 -4.093 0.166 221 1HD1 ILE 32 HD13 ILE 32 -0.533 -2.708 -2.511 222 2HD1 ILE 32 HD12 ILE 32 0.415 -1.593 -1.527 223 3HD1 ILE 32 HD11 ILE 32 0.074 -1.209 -3.214 224 H VAL 33 HN VAL 33 3.442 -5.411 0.007 225 HA VAL 33 HA VAL 33 5.246 -3.606 1.084 226 HB VAL 33 HB VAL 33 5.327 -6.629 1.461 227 1HG1 VAL 33 HG13 VAL 33 6.704 -4.337 2.801 228 2HG1 VAL 33 HG12 VAL 33 6.172 -5.687 3.804 229 3HG1 VAL 33 HG11 VAL 33 7.298 -5.965 2.475 230 1HG2 VAL 33 HG21 VAL 33 3.704 -4.401 2.663 231 2HG2 VAL 33 HG23 VAL 33 3.175 -5.994 2.122 232 3HG2 VAL 33 HG22 VAL 33 4.078 -5.829 3.628 233 H GLY 34 HN GLY 34 5.858 -6.041 -1.337 234 1HA GLY 34 HA2 GLY 34 8.758 -5.821 -1.210 235 2HA GLY 34 HA1 GLY 34 7.827 -6.389 -2.610 236 H ALA 35 HN ALA 35 6.257 -4.443 -3.341 237 HA ALA 35 HA ALA 35 7.889 -2.495 -4.617 238 1HB ALA 35 HB2 ALA 35 5.227 -3.269 -4.742 239 2HB ALA 35 HB1 ALA 35 5.142 -1.610 -4.147 240 3HB ALA 35 HB3 ALA 35 5.963 -1.961 -5.668 241 H THR 36 HN THR 36 5.640 -1.975 -1.749 242 HA THR 36 HA THR 36 6.319 0.718 -1.316 243 HB THR 36 HB THR 36 5.809 -1.366 0.827 244 HG1 THR 36 HG1 THR 36 3.675 -0.929 0.484 245 1HG2 THR 36 HG23 THR 36 5.968 1.603 0.760 246 2HG2 THR 36 HG22 THR 36 4.666 0.899 1.721 247 3HG2 THR 36 HG21 THR 36 6.345 0.485 2.072 248 H ILE 37 HN ILE 37 7.774 -2.047 0.419 249 HA ILE 37 HA ILE 37 9.845 -0.686 1.724 250 HB ILE 37 HB ILE 37 9.845 -3.456 0.507 251 1HG1 ILE 37 HG12 ILE 37 8.172 -2.879 2.327 252 2HG1 ILE 37 HG11 ILE 37 9.285 -4.184 2.741 253 1HG2 ILE 37 HG21 ILE 37 11.787 -2.162 2.445 254 2HG2 ILE 37 HG23 ILE 37 11.738 -3.887 2.084 255 3HG2 ILE 37 HG22 ILE 37 12.154 -2.733 0.817 256 1HD1 ILE 37 HD12 ILE 37 9.748 -1.288 3.498 257 2HD1 ILE 37 HD11 ILE 37 8.990 -2.469 4.566 258 3HD1 ILE 37 HD13 ILE 37 10.661 -2.692 4.049 259 H GLY 38 HN GLY 38 9.549 -1.346 -1.656 260 1HA GLY 38 HA2 GLY 38 12.365 -1.013 -2.313 261 2HA GLY 38 HA1 GLY 38 11.031 -1.045 -3.472 262 H ILE 39 HN ILE 39 9.440 0.961 -2.806 263 HA ILE 39 HA ILE 39 10.933 3.315 -3.525 264 HB ILE 39 HB ILE 39 8.072 2.844 -2.645 265 1HG1 ILE 39 HG12 ILE 39 8.713 4.070 -5.252 266 2HG1 ILE 39 HG11 ILE 39 9.325 2.428 -5.056 267 1HG2 ILE 39 HG21 ILE 39 9.577 5.400 -3.134 268 2HG2 ILE 39 HG23 ILE 39 7.866 5.299 -3.552 269 3HG2 ILE 39 HG22 ILE 39 8.386 5.033 -1.887 270 1HD1 ILE 39 HD13 ILE 39 6.571 2.802 -4.082 271 2HD1 ILE 39 HD12 ILE 39 6.761 3.049 -5.819 272 3HD1 ILE 39 HD11 ILE 39 7.245 1.518 -5.087 273 H LYS 40 HN LYS 40 10.541 1.612 -0.632 274 HA LYS 40 HA LYS 40 10.446 3.940 1.153 275 1HB LYS 40 HB2 LYS 40 10.213 1.112 1.418 276 2HB LYS 40 HB1 LYS 40 11.551 1.628 2.443 277 1HG LYS 40 HG2 LYS 40 9.163 3.368 2.551 278 2HG LYS 40 HG1 LYS 40 8.930 1.743 3.199 279 1HD LYS 40 HD2 LYS 40 11.306 2.302 4.328 280 2HD LYS 40 HD1 LYS 40 10.677 3.944 4.186 281 1HE LYS 40 HE2 LYS 40 9.091 1.670 5.402 282 2HE LYS 40 HE1 LYS 40 10.097 2.762 6.355 283 1HZ LYS 40 HZ2 LYS 40 8.324 4.091 4.512 284 2HZ LYS 40 HZ1 LYS 40 7.521 3.206 5.721 285 3HZ LYS 40 HZ3 LYS 40 8.630 4.413 6.151 286 H LEU 41 HN LEU 41 12.982 1.420 0.836 287 HA LEU 41 HA LEU 41 15.065 2.982 1.943 288 1HB LEU 41 HB2 LEU 41 16.586 1.373 1.040 289 2HB LEU 41 HB1 LEU 41 15.103 0.483 1.388 290 HG LEU 41 HG LEU 41 14.683 1.408 -1.191 291 1HD1 LEU 41 HD13 LEU 41 17.349 1.822 -0.843 292 2HD1 LEU 41 HD12 LEU 41 17.359 0.153 -1.414 293 3HD1 LEU 41 HD11 LEU 41 16.624 1.418 -2.399 294 1HD2 LEU 41 HD23 LEU 41 15.235 -1.112 0.187 295 2HD2 LEU 41 HD22 LEU 41 14.075 -0.769 -1.096 296 3HD2 LEU 41 HD21 LEU 41 15.752 -1.140 -1.499 297 H PHE 42 HN PHE 42 13.690 2.987 -1.280 298 HA PHE 42 HA PHE 42 15.847 4.526 -2.488 299 1HB PHE 42 HB2 PHE 42 13.511 3.191 -3.385 300 2HB PHE 42 HB1 PHE 42 13.321 4.886 -3.831 301 HD1 PHE 42 HD1 PHE 42 16.506 2.993 -3.464 302 HD2 PHE 42 HD2 PHE 42 13.723 4.833 -6.170 303 HE1 PHE 42 HE1 PHE 42 18.115 2.686 -5.326 304 HE2 PHE 42 HE2 PHE 42 15.331 4.528 -8.032 305 HZ PHE 42 HZ PHE 42 17.527 3.454 -7.612 306 H LYS 43 HN LYS 43 12.430 5.462 -2.029 307 HA LYS 43 HA LYS 43 13.189 8.287 -1.865 308 1HB LYS 43 HB2 LYS 43 10.868 6.876 -2.575 309 2HB LYS 43 HB1 LYS 43 10.449 7.726 -1.087 310 1HG LYS 43 HG2 LYS 43 11.598 9.779 -2.209 311 2HG LYS 43 HG1 LYS 43 11.389 8.872 -3.709 312 1HD LYS 43 HD2 LYS 43 8.942 8.619 -3.097 313 2HD LYS 43 HD1 LYS 43 9.227 9.768 -1.789 314 1HE LYS 43 HE2 LYS 43 9.818 11.509 -3.317 315 2HE LYS 43 HE1 LYS 43 9.933 10.378 -4.666 316 1HZ LYS 43 HZ2 LYS 43 7.510 9.910 -4.262 317 2HZ LYS 43 HZ1 LYS 43 7.497 11.266 -3.238 318 3HZ LYS 43 HZ3 LYS 43 7.869 11.451 -4.882 319 H LYS 44 HN LYS 44 14.071 6.380 0.317 320 HA LYS 44 HA LYS 44 12.550 6.882 2.686 321 1HB LYS 44 HB2 LYS 44 14.594 5.230 2.107 322 2HB LYS 44 HB1 LYS 44 15.494 6.526 2.892 323 1HG LYS 44 HG2 LYS 44 14.803 5.818 4.910 324 2HG LYS 44 HG1 LYS 44 13.120 6.003 4.414 325 1HD LYS 44 HD2 LYS 44 13.168 3.725 4.842 326 2HD LYS 44 HD1 LYS 44 13.596 3.731 3.130 327 1HE LYS 44 HE2 LYS 44 16.046 3.893 3.939 328 2HE LYS 44 HE1 LYS 44 15.418 3.404 5.513 329 1HZ LYS 44 HZ3 LYS 44 14.400 1.793 3.384 330 2HZ LYS 44 HZ2 LYS 44 16.096 1.738 3.464 331 3HZ LYS 44 HZ1 LYS 44 15.163 1.322 4.822 332 H PHE 45 HN PHE 45 15.000 8.684 0.963 333 HA PHE 45 HA PHE 45 15.367 10.573 3.201 334 1HB PHE 45 HB2 PHE 45 16.791 9.900 0.780 335 2HB PHE 45 HB1 PHE 45 16.493 11.638 0.835 336 HD1 PHE 45 HD1 PHE 45 18.107 8.787 2.530 337 HD2 PHE 45 HD2 PHE 45 17.443 13.032 2.598 338 HE1 PHE 45 HE1 PHE 45 19.908 9.043 4.217 339 HE2 PHE 45 HE2 PHE 45 19.244 13.287 4.285 340 HZ PHE 45 HZ PHE 45 20.477 11.292 5.094 341 H THR 46 HN THR 46 12.705 10.219 1.818 342 HA THR 46 HA THR 46 10.928 11.668 1.321 343 HB THR 46 HB THR 46 12.884 13.960 1.562 344 HG1 THR 46 HG1 THR 46 11.681 12.351 3.530 345 1HG2 THR 46 HG22 THR 46 9.932 13.580 1.567 346 2HG2 THR 46 HG21 THR 46 10.583 14.799 2.664 347 3HG2 THR 46 HG23 THR 46 10.894 14.916 0.931 348 H SER 47 HN SER 47 13.087 10.681 -0.620 349 HA SER 47 HA SER 47 11.966 11.839 -2.989 350 1HB SER 47 HB2 SER 47 14.450 13.094 -1.905 351 2HB SER 47 HB1 SER 47 14.319 12.886 -3.648 352 HG SER 47 HG SER 47 13.438 14.893 -2.646 353 H LYS 48 HN LYS 48 12.745 10.775 -4.875 354 HA LYS 48 HA LYS 48 14.051 8.225 -4.368 355 1HB LYS 48 HB2 LYS 48 13.816 7.894 -6.809 356 2HB LYS 48 HB1 LYS 48 12.303 8.449 -6.093 357 1HG LYS 48 HG2 LYS 48 12.638 10.684 -6.880 358 2HG LYS 48 HG1 LYS 48 14.313 10.349 -7.319 359 1HD LYS 48 HD2 LYS 48 13.644 8.906 -9.120 360 2HD LYS 48 HD1 LYS 48 11.963 8.919 -8.583 361 1HE LYS 48 HE2 LYS 48 12.018 11.451 -8.951 362 2HE LYS 48 HE1 LYS 48 13.540 11.189 -9.803 363 1HZ LYS 48 HZ2 LYS 48 11.428 9.401 -10.599 364 2HZ LYS 48 HZ1 LYS 48 11.094 11.035 -10.924 365 3HZ LYS 48 HZ3 LYS 48 12.495 10.317 -11.553 366 H ALA 49 HN ALA 49 15.092 11.392 -5.300 367 HA ALA 49 HA ALA 49 17.397 10.956 -6.798 368 1HB ALA 49 HB2 ALA 49 16.502 12.986 -4.871 369 2HB ALA 49 HB1 ALA 49 18.256 12.837 -4.969 370 3HB ALA 49 HB3 ALA 49 17.320 13.192 -6.420 371 H SER 50 HN SER 50 16.814 10.146 -3.448 372 HA SER 50 HA SER 50 19.641 9.616 -2.883 373 1HB SER 50 HB2 SER 50 18.067 10.355 -1.105 374 2HB SER 50 HB1 SER 50 17.160 8.859 -1.308 375 HG SER 50 HG SER 50 18.697 8.710 0.380 No H/Q in entry = 375 Start of MODEL 11 1 1H ALA 1 HT3 ALA 1 -0.285 -0.993 11.092 2 2H ALA 1 HT2 ALA 1 -0.342 -2.281 9.985 3 3H ALA 1 HT1 ALA 1 -0.927 -2.489 11.567 4 HA ALA 1 HA ALA 1 1.093 -2.853 12.433 5 1HB ALA 1 HB2 ALA 1 0.853 -4.226 10.236 6 2HB ALA 1 HB1 ALA 1 2.050 -3.106 9.586 7 3HB ALA 1 HB3 ALA 1 2.450 -4.114 10.977 8 H GLU 2 HN GLU 2 1.960 -1.108 9.422 9 HA GLU 2 HA GLU 2 3.637 0.694 11.123 10 1HB GLU 2 HB2 GLU 2 5.218 0.851 9.267 11 2HB GLU 2 HB1 GLU 2 4.980 -0.845 9.690 12 1HG GLU 2 HG2 GLU 2 2.986 -0.078 7.767 13 2HG GLU 2 HG1 GLU 2 4.578 0.379 7.160 14 H GLY 3 HN GLY 3 0.819 1.015 10.214 15 1HA GLY 3 HA2 GLY 3 0.643 3.703 9.696 16 2HA GLY 3 HA1 GLY 3 0.901 3.027 8.089 17 H ASP 4 HN ASP 4 -0.927 1.561 10.759 18 HA ASP 4 HA ASP 4 -3.064 0.597 9.277 19 1HB ASP 4 HB2 ASP 4 -2.660 0.314 11.777 20 2HB ASP 4 HB1 ASP 4 -3.424 1.889 11.993 21 H ASP 5 HN ASP 5 -4.572 1.577 8.008 22 HA ASP 5 HA ASP 5 -5.473 4.317 8.736 23 1HB ASP 5 HB2 ASP 5 -4.091 3.474 6.229 24 2HB ASP 5 HB1 ASP 5 -5.428 4.615 6.076 25 HA PRO 6 HA PRO 6 -9.408 2.789 7.583 26 1HB PRO 6 HB2 PRO 6 -10.625 5.099 6.726 27 2HB PRO 6 HB1 PRO 6 -10.295 4.740 8.431 28 1HG PRO 6 HG2 PRO 6 -8.885 6.649 6.614 29 2HG PRO 6 HG1 PRO 6 -9.026 6.681 8.381 30 1HD PRO 6 HD2 PRO 6 -6.760 5.803 6.905 31 2HD PRO 6 HD1 PRO 6 -7.036 5.562 8.643 32 H ALA 7 HN ALA 7 -7.437 4.358 5.202 33 HA ALA 7 HA ALA 7 -9.222 3.912 2.949 34 1HB ALA 7 HB2 ALA 7 -6.763 5.263 3.401 35 2HB ALA 7 HB1 ALA 7 -6.467 4.063 2.142 36 3HB ALA 7 HB3 ALA 7 -7.740 5.267 1.932 37 H LYS 8 HN LYS 8 -6.092 2.402 3.852 38 HA LYS 8 HA LYS 8 -6.172 0.294 1.988 39 1HB LYS 8 HB2 LYS 8 -4.817 0.782 4.577 40 2HB LYS 8 HB1 LYS 8 -4.959 -0.912 4.105 41 1HG LYS 8 HG2 LYS 8 -3.474 -0.685 2.405 42 2HG LYS 8 HG1 LYS 8 -4.155 0.863 1.902 43 1HD LYS 8 HD2 LYS 8 -2.291 1.802 2.769 44 2HD LYS 8 HD1 LYS 8 -2.988 1.448 4.350 45 1HE LYS 8 HE2 LYS 8 -1.754 -0.927 3.262 46 2HE LYS 8 HE1 LYS 8 -0.598 0.405 3.275 47 1HZ LYS 8 HZ2 LYS 8 -2.118 0.372 5.667 48 2HZ LYS 8 HZ1 LYS 8 -1.380 -1.138 5.421 49 3HZ LYS 8 HZ3 LYS 8 -0.435 0.269 5.465 50 H ALA 9 HN ALA 9 -8.111 0.767 4.820 51 HA ALA 9 HA ALA 9 -8.781 -1.925 5.450 52 1HB ALA 9 HB2 ALA 9 -10.341 0.657 5.672 53 2HB ALA 9 HB1 ALA 9 -10.986 -0.884 6.238 54 3HB ALA 9 HB3 ALA 9 -9.516 -0.226 6.957 55 H ALA 10 HN ALA 10 -11.249 0.136 3.977 56 HA ALA 10 HA ALA 10 -12.587 -1.963 2.659 57 1HB ALA 10 HB2 ALA 10 -13.135 0.645 2.973 58 2HB ALA 10 HB1 ALA 10 -12.534 0.699 1.316 59 3HB ALA 10 HB3 ALA 10 -13.909 -0.327 1.722 60 H PHE 11 HN PHE 11 -9.815 -0.036 1.626 61 HA PHE 11 HA PHE 11 -9.738 -0.610 -1.094 62 1HB PHE 11 HB2 PHE 11 -7.909 0.375 0.766 63 2HB PHE 11 HB1 PHE 11 -7.125 -1.063 0.111 64 HD1 PHE 11 HD2 PHE 11 -9.348 1.639 -1.247 65 HD2 PHE 11 HD1 PHE 11 -5.724 -0.622 -1.691 66 HE1 PHE 11 HE2 PHE 11 -8.846 2.862 -3.342 67 HE2 PHE 11 HE1 PHE 11 -5.222 0.599 -3.789 68 HZ PHE 11 HZ PHE 11 -6.780 2.343 -4.615 69 H ASP 12 HN ASP 12 -8.365 -2.665 1.501 70 HA ASP 12 HA ASP 12 -7.770 -4.858 -0.251 71 1HB ASP 12 HB2 ASP 12 -6.706 -4.820 1.901 72 2HB ASP 12 HB1 ASP 12 -8.256 -4.704 2.735 73 H SER 13 HN SER 13 -10.681 -3.833 1.426 74 HA SER 13 HA SER 13 -12.103 -6.347 0.948 75 1HB SER 13 HB2 SER 13 -12.726 -4.956 2.855 76 2HB SER 13 HB1 SER 13 -13.084 -3.601 1.789 77 HG SER 13 HG SER 13 -14.675 -5.596 2.526 78 H LEU 14 HN LEU 14 -13.299 -3.144 -0.032 79 HA LEU 14 HA LEU 14 -14.858 -3.842 -2.167 80 1HB LEU 14 HB2 LEU 14 -14.439 -1.643 -3.141 81 2HB LEU 14 HB1 LEU 14 -14.503 -1.507 -1.384 82 HG LEU 14 HG LEU 14 -11.865 -1.989 -1.698 83 1HD1 LEU 14 HD13 LEU 14 -12.907 -1.169 -4.317 84 2HD1 LEU 14 HD12 LEU 14 -11.591 -0.147 -3.739 85 3HD1 LEU 14 HD11 LEU 14 -11.352 -1.886 -3.901 86 1HD2 LEU 14 HD21 LEU 14 -13.443 0.582 -1.778 87 2HD2 LEU 14 HD23 LEU 14 -12.570 -0.128 -0.421 88 3HD2 LEU 14 HD22 LEU 14 -11.680 0.600 -1.757 89 H GLN 15 HN GLN 15 -11.328 -3.891 -2.184 90 HA GLN 15 HA GLN 15 -11.196 -4.275 -5.072 91 1HB GLN 15 HB2 GLN 15 -9.142 -4.473 -2.858 92 2HB GLN 15 HB1 GLN 15 -8.769 -4.871 -4.532 93 1HG GLN 15 HG2 GLN 15 -9.940 -2.491 -4.940 94 2HG GLN 15 HG1 GLN 15 -9.338 -2.215 -3.305 95 1HE2 GLN 15 HE22 GLN 15 -6.637 -2.784 -6.357 96 2HE2 GLN 15 HE21 GLN 15 -8.233 -3.332 -6.547 97 H ALA 16 HN ALA 16 -10.550 -6.286 -2.187 98 HA ALA 16 HA ALA 16 -10.090 -8.720 -3.414 99 1HB ALA 16 HB2 ALA 16 -9.941 -8.390 -0.981 100 2HB ALA 16 HB1 ALA 16 -11.701 -8.294 -0.911 101 3HB ALA 16 HB3 ALA 16 -10.918 -9.804 -1.380 102 H SER 17 HN SER 17 -12.970 -7.004 -3.338 103 HA SER 17 HA SER 17 -14.682 -9.275 -3.985 104 1HB SER 17 HB2 SER 17 -15.809 -6.688 -4.653 105 2HB SER 17 HB1 SER 17 -16.357 -7.863 -3.461 106 HG SER 17 HG SER 17 -15.470 -6.669 -1.988 107 H ALA 18 HN ALA 18 -12.330 -8.448 -5.766 108 HA ALA 18 HA ALA 18 -11.884 -8.240 -8.057 109 1HB ALA 18 HB1 ALA 18 -14.268 -9.969 -7.763 110 2HB ALA 18 HB3 ALA 18 -14.035 -9.282 -9.370 111 3HB ALA 18 HB2 ALA 18 -12.766 -10.263 -8.638 112 H THR 19 HN THR 19 -12.506 -5.824 -7.288 113 HA THR 19 HA THR 19 -14.866 -4.885 -8.846 114 HB THR 19 HB THR 19 -14.599 -4.097 -6.492 115 HG1 THR 19 HG1 THR 19 -14.690 -1.805 -7.103 116 1HG2 THR 19 HG21 THR 19 -11.974 -4.008 -6.927 117 2HG2 THR 19 HG23 THR 19 -12.346 -2.337 -7.351 118 3HG2 THR 19 HG22 THR 19 -12.743 -2.948 -5.744 119 H GLU 20 HN GLU 20 -11.608 -5.381 -9.332 120 HA GLU 20 HA GLU 20 -11.610 -3.590 -11.644 121 1HB GLU 20 HB2 GLU 20 -9.043 -3.191 -10.709 122 2HB GLU 20 HB1 GLU 20 -10.345 -2.007 -10.635 123 1HG GLU 20 HG2 GLU 20 -11.033 -3.113 -8.435 124 2HG GLU 20 HG1 GLU 20 -9.489 -3.958 -8.493 125 H TYR 21 HN TYR 21 -9.748 -5.747 -9.779 126 HA TYR 21 HA TYR 21 -9.463 -7.801 -11.667 127 1HB TYR 21 HB2 TYR 21 -7.210 -7.418 -12.565 128 2HB TYR 21 HB1 TYR 21 -8.261 -6.082 -13.022 129 HD1 TYR 21 HD1 TYR 21 -5.553 -7.148 -10.733 130 HD2 TYR 21 HD2 TYR 21 -7.934 -3.859 -12.138 131 HE1 TYR 21 HE1 TYR 21 -4.022 -5.555 -9.603 132 HE2 TYR 21 HE2 TYR 21 -6.403 -2.267 -11.009 133 HH TYR 21 HH TYR 21 -4.701 -2.596 -8.817 134 H ILE 22 HN ILE 22 -8.019 -5.947 -9.047 135 HA ILE 22 HA ILE 22 -6.678 -8.411 -8.103 136 HB ILE 22 HB ILE 22 -5.127 -6.679 -7.924 137 1HG1 ILE 22 HG12 ILE 22 -6.382 -6.111 -5.279 138 2HG1 ILE 22 HG11 ILE 22 -5.799 -7.724 -5.609 139 1HG2 ILE 22 HG22 ILE 22 -7.439 -5.002 -7.062 140 2HG2 ILE 22 HG21 ILE 22 -5.761 -4.465 -7.014 141 3HG2 ILE 22 HG23 ILE 22 -6.511 -4.880 -8.545 142 1HD1 ILE 22 HD11 ILE 22 -3.682 -6.459 -6.520 143 2HD1 ILE 22 HD13 ILE 22 -4.271 -5.170 -5.491 144 3HD1 ILE 22 HD12 ILE 22 -3.856 -6.732 -4.788 145 H GLY 23 HN GLY 23 -8.843 -9.310 -7.726 146 1HA GLY 23 HA2 GLY 23 -10.046 -8.303 -5.207 147 2HA GLY 23 HA1 GLY 23 -10.864 -9.356 -6.359 148 H TYR 24 HN TYR 24 -7.739 -10.395 -6.182 149 HA TYR 24 HA TYR 24 -8.362 -12.815 -4.845 150 1HB TYR 24 HB2 TYR 24 -5.525 -11.689 -4.962 151 2HB TYR 24 HB1 TYR 24 -6.035 -13.377 -4.988 152 HD1 TYR 24 HD1 TYR 24 -8.405 -12.275 -7.042 153 HD2 TYR 24 HD2 TYR 24 -4.120 -12.379 -6.909 154 HE1 TYR 24 HE1 TYR 24 -8.316 -12.107 -9.489 155 HE2 TYR 24 HE2 TYR 24 -4.026 -12.222 -9.353 156 HH TYR 24 HH TYR 24 -5.289 -12.452 -11.265 157 H ALA 25 HN ALA 25 -7.770 -9.591 -3.757 158 HA ALA 25 HA ALA 25 -8.209 -8.892 -1.496 159 1HB ALA 25 HB2 ALA 25 -8.938 -11.312 -1.000 160 2HB ALA 25 HB1 ALA 25 -7.272 -11.581 -0.488 161 3HB ALA 25 HB3 ALA 25 -8.267 -10.386 0.343 162 H TRP 26 HN TRP 26 -5.773 -8.807 -3.128 163 HA TRP 26 HA TRP 26 -3.840 -8.521 -0.862 164 1HB TRP 26 HB2 TRP 26 -2.150 -9.451 -2.071 165 2HB TRP 26 HB1 TRP 26 -3.505 -10.367 -2.687 166 HD1 TRP 26 HD1 TRP 26 -0.864 -7.950 -3.736 167 HE1 TRP 26 HE1 TRP 26 -1.031 -7.586 -6.278 168 HE3 TRP 26 HE3 TRP 26 -5.307 -10.012 -4.644 169 HZ2 TRP 26 HZ2 TRP 26 -2.825 -8.211 -8.359 170 HZ3 TRP 26 HZ3 TRP 26 -6.234 -10.109 -6.917 171 HH2 TRP 26 HH2 TRP 26 -4.987 -9.183 -8.791 172 H ALA 27 HN ALA 27 -5.706 -6.746 -2.150 173 HA ALA 27 HA ALA 27 -4.418 -4.894 -3.801 174 1HB ALA 27 HB2 ALA 27 -6.866 -4.903 -2.140 175 2HB ALA 27 HB1 ALA 27 -6.177 -3.314 -2.475 176 3HB ALA 27 HB3 ALA 27 -6.650 -4.368 -3.807 177 H MET 28 HN MET 28 -4.843 -5.088 -0.337 178 HA MET 28 HA MET 28 -3.204 -2.838 0.197 179 1HB MET 28 HB2 MET 28 -4.955 -3.479 1.781 180 2HB MET 28 HB1 MET 28 -4.179 -5.048 2.003 181 1HG MET 28 HG2 MET 28 -2.181 -3.081 2.444 182 2HG MET 28 HG1 MET 28 -3.611 -2.566 3.339 183 1HE MET 28 HE2 MET 28 -4.956 -4.054 4.933 184 2HE MET 28 HE1 MET 28 -5.040 -5.369 3.763 185 3HE MET 28 HE3 MET 28 -4.525 -5.689 5.427 186 H VAL 29 HN VAL 29 -2.694 -6.107 -0.577 187 HA VAL 29 HA VAL 29 -0.266 -6.619 0.848 188 HB VAL 29 HB VAL 29 -1.646 -7.824 -1.558 189 1HG1 VAL 29 HG12 VAL 29 1.268 -8.114 -0.835 190 2HG1 VAL 29 HG11 VAL 29 0.386 -9.513 -1.446 191 3HG1 VAL 29 HG13 VAL 29 0.515 -8.055 -2.429 192 1HG2 VAL 29 HG23 VAL 29 -1.933 -8.325 1.024 193 2HG2 VAL 29 HG22 VAL 29 -1.913 -9.654 -0.134 194 3HG2 VAL 29 HG21 VAL 29 -0.466 -9.277 0.800 195 H VAL 30 HN VAL 30 -0.625 -5.849 -2.652 196 HA VAL 30 HA VAL 30 2.183 -5.122 -2.850 197 HB VAL 30 HB VAL 30 1.451 -4.236 -5.128 198 1HG1 VAL 30 HG12 VAL 30 2.282 -6.576 -4.644 199 2HG1 VAL 30 HG11 VAL 30 0.596 -7.076 -4.517 200 3HG1 VAL 30 HG13 VAL 30 1.216 -6.452 -6.044 201 1HG2 VAL 30 HG21 VAL 30 -0.940 -3.855 -4.273 202 2HG2 VAL 30 HG23 VAL 30 -0.786 -4.618 -5.854 203 3HG2 VAL 30 HG22 VAL 30 -1.160 -5.596 -4.435 204 H VAL 31 HN VAL 31 -0.856 -3.343 -2.489 205 HA VAL 31 HA VAL 31 0.045 -0.729 -2.988 206 HB VAL 31 HB VAL 31 -2.020 -1.857 -1.096 207 1HG1 VAL 31 HG13 VAL 31 -1.335 1.076 -1.491 208 2HG1 VAL 31 HG12 VAL 31 -2.752 0.470 -0.635 209 3HG1 VAL 31 HG11 VAL 31 -1.139 0.161 0.005 210 1HG2 VAL 31 HG22 VAL 31 -2.094 -0.167 -3.616 211 2HG2 VAL 31 HG21 VAL 31 -2.574 -1.857 -3.464 212 3HG2 VAL 31 HG23 VAL 31 -3.520 -0.597 -2.672 213 H ILE 32 HN ILE 32 0.044 -2.430 0.187 214 HA ILE 32 HA ILE 32 1.423 -0.353 1.544 215 HB ILE 32 HB ILE 32 0.306 -2.045 2.746 216 1HG1 ILE 32 HG12 ILE 32 2.189 -2.806 4.276 217 2HG1 ILE 32 HG11 ILE 32 3.271 -2.014 3.132 218 1HG2 ILE 32 HG21 ILE 32 1.071 -3.809 0.944 219 2HG2 ILE 32 HG23 ILE 32 2.336 -4.105 2.133 220 3HG2 ILE 32 HG22 ILE 32 0.641 -4.311 2.576 221 1HD1 ILE 32 HD13 ILE 32 1.687 0.039 3.430 222 2HD1 ILE 32 HD12 ILE 32 1.176 -0.783 4.904 223 3HD1 ILE 32 HD11 ILE 32 2.864 -0.314 4.694 224 H VAL 33 HN VAL 33 2.746 -3.414 0.170 225 HA VAL 33 HA VAL 33 5.423 -2.891 0.816 226 HB VAL 33 HB VAL 33 4.317 -4.035 -1.778 227 1HG1 VAL 33 HG11 VAL 33 6.957 -3.239 -1.166 228 2HG1 VAL 33 HG13 VAL 33 6.933 -4.995 -1.012 229 3HG1 VAL 33 HG12 VAL 33 6.432 -4.235 -2.523 230 1HG2 VAL 33 HG23 VAL 33 4.480 -5.026 0.917 231 2HG2 VAL 33 HG22 VAL 33 3.843 -5.837 -0.513 232 3HG2 VAL 33 HG21 VAL 33 5.554 -5.976 -0.109 233 H GLY 34 HN GLY 34 3.339 -1.211 -1.370 234 1HA GLY 34 HA2 GLY 34 5.447 0.126 -2.855 235 2HA GLY 34 HA1 GLY 34 3.764 0.662 -2.738 236 H ALA 35 HN ALA 35 3.405 0.979 -0.067 237 HA ALA 35 HA ALA 35 4.798 3.459 0.461 238 1HB ALA 35 HB2 ALA 35 2.844 1.776 2.025 239 2HB ALA 35 HB1 ALA 35 3.577 3.222 2.718 240 3HB ALA 35 HB3 ALA 35 2.578 3.348 1.270 241 H THR 36 HN THR 36 5.032 0.145 1.938 242 HA THR 36 HA THR 36 6.872 0.891 3.971 243 HB THR 36 HB THR 36 7.154 -1.781 2.675 244 HG1 THR 36 HG1 THR 36 4.805 -0.715 3.794 245 1HG2 THR 36 HG23 THR 36 6.753 -0.828 5.525 246 2HG2 THR 36 HG22 THR 36 7.076 -2.494 5.041 247 3HG2 THR 36 HG21 THR 36 8.298 -1.249 4.785 248 H ILE 37 HN ILE 37 7.724 -0.911 0.992 249 HA ILE 37 HA ILE 37 10.527 -0.177 1.251 250 HB ILE 37 HB ILE 37 9.028 -1.315 -1.119 251 1HG1 ILE 37 HG12 ILE 37 10.442 -2.576 1.248 252 2HG1 ILE 37 HG11 ILE 37 8.767 -2.806 0.745 253 1HG2 ILE 37 HG21 ILE 37 11.680 -0.346 -0.875 254 2HG2 ILE 37 HG23 ILE 37 11.789 -2.106 -0.866 255 3HG2 ILE 37 HG22 ILE 37 10.999 -1.278 -2.209 256 1HD1 ILE 37 HD13 ILE 37 10.278 -3.477 -1.515 257 2HD1 ILE 37 HD12 ILE 37 11.160 -4.186 -0.162 258 3HD1 ILE 37 HD11 ILE 37 9.466 -4.602 -0.426 259 H GLY 38 HN GLY 38 7.816 1.339 -0.264 260 1HA GLY 38 HA2 GLY 38 9.414 2.933 -2.120 261 2HA GLY 38 HA1 GLY 38 7.690 3.135 -1.811 262 H ILE 39 HN ILE 39 7.228 3.915 0.523 263 HA ILE 39 HA ILE 39 8.408 6.463 0.868 264 HB ILE 39 HB ILE 39 7.025 4.703 2.916 265 1HG1 ILE 39 HG12 ILE 39 5.862 7.029 1.378 266 2HG1 ILE 39 HG11 ILE 39 5.800 5.383 0.747 267 1HG2 ILE 39 HG21 ILE 39 7.650 7.670 2.890 268 2HG2 ILE 39 HG23 ILE 39 6.583 6.886 4.055 269 3HG2 ILE 39 HG22 ILE 39 8.296 6.471 4.010 270 1HD1 ILE 39 HD12 ILE 39 4.930 4.959 3.287 271 2HD1 ILE 39 HD11 ILE 39 4.323 6.592 3.013 272 3HD1 ILE 39 HD13 ILE 39 3.849 5.283 1.931 273 H LYS 40 HN LYS 40 9.541 3.284 1.652 274 HA LYS 40 HA LYS 40 11.264 4.081 3.867 275 1HB LYS 40 HB2 LYS 40 10.795 1.746 3.659 276 2HB LYS 40 HB1 LYS 40 11.321 1.719 1.975 277 1HG LYS 40 HG2 LYS 40 13.405 2.746 3.733 278 2HG LYS 40 HG1 LYS 40 12.891 1.128 4.214 279 1HD LYS 40 HD2 LYS 40 13.022 0.880 1.482 280 2HD LYS 40 HD1 LYS 40 14.350 1.994 1.807 281 1HE LYS 40 HE2 LYS 40 14.166 -0.282 3.680 282 2HE LYS 40 HE1 LYS 40 14.553 -0.724 2.017 283 1HZ LYS 40 HZ2 LYS 40 16.019 1.568 2.779 284 2HZ LYS 40 HZ1 LYS 40 16.266 0.332 3.917 285 3HZ LYS 40 HZ3 LYS 40 16.596 0.050 2.278 286 H LEU 41 HN LEU 41 12.309 3.016 0.600 287 HA LEU 41 HA LEU 41 14.859 4.307 0.790 288 1HB LEU 41 HB2 LEU 41 14.320 2.497 -0.836 289 2HB LEU 41 HB1 LEU 41 13.290 3.625 -1.718 290 HG LEU 41 HG LEU 41 15.654 5.036 -1.459 291 1HD1 LEU 41 HD13 LEU 41 16.458 2.589 -0.715 292 2HD1 LEU 41 HD12 LEU 41 16.559 2.377 -2.464 293 3HD1 LEU 41 HD11 LEU 41 17.485 3.655 -1.675 294 1HD2 LEU 41 HD21 LEU 41 14.023 3.890 -3.498 295 2HD2 LEU 41 HD23 LEU 41 15.191 5.202 -3.658 296 3HD2 LEU 41 HD22 LEU 41 15.702 3.532 -3.903 297 H PHE 42 HN PHE 42 11.738 5.592 0.248 298 HA PHE 42 HA PHE 42 12.614 7.926 -1.276 299 1HB PHE 42 HB2 PHE 42 10.043 6.941 -0.122 300 2HB PHE 42 HB1 PHE 42 10.194 8.673 -0.426 301 HD1 PHE 42 HD1 PHE 42 11.744 5.841 -2.300 302 HD2 PHE 42 HD2 PHE 42 8.865 9.028 -2.346 303 HE1 PHE 42 HE1 PHE 42 11.359 5.457 -4.719 304 HE2 PHE 42 HE2 PHE 42 8.479 8.645 -4.765 305 HZ PHE 42 HZ PHE 42 9.726 6.859 -5.952 306 H LYS 43 HN LYS 43 10.884 7.866 1.852 307 HA LYS 43 HA LYS 43 12.185 10.362 2.638 308 1HB LYS 43 HB2 LYS 43 10.334 8.518 4.176 309 2HB LYS 43 HB1 LYS 43 10.838 10.123 4.705 310 1HG LYS 43 HG2 LYS 43 9.619 9.810 1.984 311 2HG LYS 43 HG1 LYS 43 8.566 9.816 3.399 312 1HD LYS 43 HD2 LYS 43 9.921 11.947 4.085 313 2HD LYS 43 HD1 LYS 43 10.365 11.998 2.378 314 1HE LYS 43 HE2 LYS 43 7.486 11.697 3.213 315 2HE LYS 43 HE1 LYS 43 8.239 13.289 3.117 316 1HZ LYS 43 HZ2 LYS 43 8.989 12.068 0.805 317 2HZ LYS 43 HZ1 LYS 43 7.384 11.552 1.011 318 3HZ LYS 43 HZ3 LYS 43 7.740 13.208 0.967 319 H LYS 44 HN LYS 44 13.608 7.518 2.462 320 HA LYS 44 HA LYS 44 14.521 6.995 5.140 321 1HB LYS 44 HB2 LYS 44 15.046 5.982 2.481 322 2HB LYS 44 HB1 LYS 44 16.562 6.229 3.346 323 1HG LYS 44 HG2 LYS 44 14.177 4.720 4.454 324 2HG LYS 44 HG1 LYS 44 15.603 3.963 3.745 325 1HD LYS 44 HD2 LYS 44 17.000 4.640 5.497 326 2HD LYS 44 HD1 LYS 44 15.923 5.954 5.974 327 1HE LYS 44 HE2 LYS 44 14.247 4.267 6.720 328 2HE LYS 44 HE1 LYS 44 15.397 2.988 6.329 329 1HZ LYS 44 HZ1 LYS 44 16.570 5.022 7.947 330 2HZ LYS 44 HZ3 LYS 44 15.216 4.337 8.701 331 3HZ LYS 44 HZ2 LYS 44 16.502 3.344 8.204 332 H PHE 45 HN PHE 45 15.661 9.051 2.512 333 HA PHE 45 HA PHE 45 17.365 10.495 4.475 334 1HB PHE 45 HB2 PHE 45 18.331 8.876 2.208 335 2HB PHE 45 HB1 PHE 45 18.993 10.509 2.270 336 HD1 PHE 45 HD2 PHE 45 20.334 11.261 4.180 337 HD2 PHE 45 HD1 PHE 45 18.780 7.264 3.975 338 HE1 PHE 45 HE2 PHE 45 21.866 10.574 6.005 339 HE2 PHE 45 HE1 PHE 45 20.310 6.574 5.800 340 HZ PHE 45 HZ PHE 45 21.854 8.230 6.816 341 H THR 46 HN THR 46 14.932 10.761 2.394 342 HA THR 46 HA THR 46 14.004 12.573 1.232 343 HB THR 46 HB THR 46 16.251 14.374 2.021 344 HG1 THR 46 HG1 THR 46 15.160 14.485 4.133 345 1HG2 THR 46 HG22 THR 46 13.643 14.645 1.061 346 2HG2 THR 46 HG21 THR 46 13.533 15.098 2.762 347 3HG2 THR 46 HG23 THR 46 14.662 15.936 1.696 348 H SER 47 HN SER 47 16.407 10.861 0.327 349 HA SER 47 HA SER 47 16.721 12.184 -2.257 350 1HB SER 47 HB2 SER 47 18.491 13.416 -1.383 351 2HB SER 47 HB1 SER 47 18.927 12.165 -0.222 352 HG SER 47 HG SER 47 19.617 12.471 -2.896 353 H LYS 48 HN LYS 48 18.350 10.784 -3.622 354 HA LYS 48 HA LYS 48 17.495 8.008 -3.315 355 1HB LYS 48 HB2 LYS 48 18.763 7.628 -5.394 356 2HB LYS 48 HB1 LYS 48 17.716 9.040 -5.551 357 1HG LYS 48 HG2 LYS 48 19.706 10.461 -4.873 358 2HG LYS 48 HG1 LYS 48 20.699 9.011 -5.038 359 1HD LYS 48 HD2 LYS 48 19.936 8.777 -7.389 360 2HD LYS 48 HD1 LYS 48 19.007 10.267 -7.219 361 1HE LYS 48 HE2 LYS 48 20.988 11.068 -8.151 362 2HE LYS 48 HE1 LYS 48 21.306 11.273 -6.429 363 1HZ LYS 48 HZ2 LYS 48 22.064 8.828 -7.923 364 2HZ LYS 48 HZ1 LYS 48 23.108 10.157 -7.744 365 3HZ LYS 48 HZ3 LYS 48 22.577 9.308 -6.376 366 H ALA 49 HN ALA 49 20.257 9.887 -2.392 367 HA ALA 49 HA ALA 49 22.345 8.040 -2.341 368 1HB ALA 49 HB3 ALA 49 21.698 10.481 -0.962 369 2HB ALA 49 HB2 ALA 49 22.388 9.335 0.187 370 3HB ALA 49 HB1 ALA 49 23.287 9.778 -1.264 371 H SER 50 HN SER 50 19.414 8.047 -0.441 372 HA SER 50 HA SER 50 20.102 6.447 1.752 373 1HB SER 50 HB2 SER 50 17.677 5.421 1.179 374 2HB SER 50 HB1 SER 50 17.882 7.025 1.877 375 HG SER 50 HG SER 50 17.681 6.393 -0.891 No H/Q in entry = 375 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 -3.347 8.070 -10.324 2 2H ALA 1 HT3 ALA 1 -4.968 8.543 -10.170 3 3H ALA 1 HT2 ALA 1 -4.010 9.192 -11.414 4 HA ALA 1 HA ALA 1 -3.262 10.812 -10.123 5 1HB ALA 1 HB3 ALA 1 -5.678 9.876 -8.995 6 2HB ALA 1 HB2 ALA 1 -4.597 10.193 -7.638 7 3HB ALA 1 HB1 ALA 1 -4.957 11.473 -8.796 8 H GLU 2 HN GLU 2 -1.556 8.561 -10.102 9 HA GLU 2 HA GLU 2 0.034 9.123 -7.762 10 1HB GLU 2 HB2 GLU 2 -1.989 7.203 -7.377 11 2HB GLU 2 HB1 GLU 2 -0.498 6.280 -7.577 12 1HG GLU 2 HG2 GLU 2 0.552 7.937 -5.911 13 2HG GLU 2 HG1 GLU 2 -1.102 8.429 -5.544 14 H GLY 3 HN GLY 3 1.847 7.247 -7.658 15 1HA GLY 3 HA2 GLY 3 2.531 6.584 -10.498 16 2HA GLY 3 HA1 GLY 3 3.738 7.154 -9.346 17 H ASP 4 HN ASP 4 2.121 5.419 -7.290 18 HA ASP 4 HA ASP 4 2.569 3.327 -6.307 19 1HB ASP 4 HB2 ASP 4 1.353 2.973 -8.846 20 2HB ASP 4 HB1 ASP 4 2.614 1.746 -8.716 21 H ASP 5 HN ASP 5 4.760 3.670 -5.695 22 HA ASP 5 HA ASP 5 7.024 3.581 -7.354 23 1HB ASP 5 HB2 ASP 5 6.868 2.424 -4.556 24 2HB ASP 5 HB1 ASP 5 8.301 3.061 -5.363 25 HA PRO 6 HA PRO 6 7.118 -0.641 -8.618 26 1HB PRO 6 HB2 PRO 6 9.673 -0.642 -9.633 27 2HB PRO 6 HB1 PRO 6 8.288 0.085 -10.470 28 1HG PRO 6 HG2 PRO 6 10.532 1.443 -9.039 29 2HG PRO 6 HG1 PRO 6 9.498 2.058 -10.340 30 1HD PRO 6 HD2 PRO 6 9.243 2.660 -7.567 31 2HD PRO 6 HD1 PRO 6 8.067 3.048 -8.841 32 H ALA 7 HN ALA 7 9.656 0.735 -6.586 33 HA ALA 7 HA ALA 7 10.805 -1.827 -5.835 34 1HB ALA 7 HB3 ALA 7 12.073 0.315 -5.710 35 2HB ALA 7 HB2 ALA 7 10.991 0.856 -4.427 36 3HB ALA 7 HB1 ALA 7 12.045 -0.534 -4.164 37 H LYS 8 HN LYS 8 7.861 -0.435 -5.140 38 HA LYS 8 HA LYS 8 7.378 -0.657 -2.428 39 1HB LYS 8 HB2 LYS 8 5.797 -0.842 -4.833 40 2HB LYS 8 HB1 LYS 8 5.220 -2.019 -3.653 41 1HG LYS 8 HG2 LYS 8 4.539 -0.410 -2.174 42 2HG LYS 8 HG1 LYS 8 5.855 0.685 -2.602 43 1HD LYS 8 HD2 LYS 8 4.737 1.426 -4.570 44 2HD LYS 8 HD1 LYS 8 3.571 0.105 -4.493 45 1HE LYS 8 HE2 LYS 8 2.364 1.945 -3.648 46 2HE LYS 8 HE1 LYS 8 2.909 1.109 -2.194 47 1HZ LYS 8 HZ2 LYS 8 4.909 2.636 -2.304 48 2HZ LYS 8 HZ1 LYS 8 4.025 3.555 -3.428 49 3HZ LYS 8 HZ3 LYS 8 3.434 3.348 -1.852 50 H ALA 9 HN ALA 9 8.105 -3.242 -4.667 51 HA ALA 9 HA ALA 9 7.157 -5.495 -3.284 52 1HB ALA 9 HB2 ALA 9 9.580 -5.007 -4.994 53 2HB ALA 9 HB1 ALA 9 9.382 -6.563 -4.187 54 3HB ALA 9 HB3 ALA 9 8.163 -6.001 -5.331 55 H ALA 10 HN ALA 10 10.594 -4.527 -3.068 56 HA ALA 10 HA ALA 10 11.106 -5.913 -0.660 57 1HB ALA 10 HB3 ALA 10 12.759 -4.746 -2.289 58 2HB ALA 10 HB2 ALA 10 12.467 -3.306 -1.315 59 3HB ALA 10 HB1 ALA 10 13.151 -4.750 -0.569 60 H PHE 11 HN PHE 11 9.979 -2.563 -1.159 61 HA PHE 11 HA PHE 11 10.116 -1.478 1.372 62 1HB PHE 11 HB2 PHE 11 8.279 -1.206 -0.883 63 2HB PHE 11 HB1 PHE 11 7.479 -0.914 0.662 64 HD1 PHE 11 HD2 PHE 11 8.727 0.634 2.350 65 HD2 PHE 11 HD1 PHE 11 9.583 0.488 -1.856 66 HE1 PHE 11 HE2 PHE 11 9.808 2.862 2.492 67 HE2 PHE 11 HE1 PHE 11 10.665 2.715 -1.713 68 HZ PHE 11 HZ PHE 11 10.777 3.902 0.461 69 H ASP 12 HN ASP 12 7.625 -3.781 0.262 70 HA ASP 12 HA ASP 12 6.370 -3.999 2.856 71 1HB ASP 12 HB2 ASP 12 6.351 -6.065 0.637 72 2HB ASP 12 HB1 ASP 12 5.146 -5.846 1.907 73 H SER 13 HN SER 13 8.872 -5.842 1.138 74 HA SER 13 HA SER 13 9.149 -7.870 3.172 75 1HB SER 13 HB2 SER 13 10.397 -7.195 0.655 76 2HB SER 13 HB1 SER 13 11.631 -7.566 1.855 77 HG SER 13 HG SER 13 9.484 -9.153 0.928 78 H LEU 14 HN LEU 14 11.736 -5.579 2.285 79 HA LEU 14 HA LEU 14 13.203 -5.603 4.606 80 1HB LEU 14 HB2 LEU 14 13.817 -3.236 4.149 81 2HB LEU 14 HB1 LEU 14 13.835 -4.224 2.688 82 HG LEU 14 HG LEU 14 11.205 -3.316 2.851 83 1HD1 LEU 14 HD11 LEU 14 12.804 -1.591 4.422 84 2HD1 LEU 14 HD13 LEU 14 12.514 -0.743 2.903 85 3HD1 LEU 14 HD12 LEU 14 11.153 -1.309 3.871 86 1HD2 LEU 14 HD22 LEU 14 12.748 -3.571 0.859 87 2HD2 LEU 14 HD21 LEU 14 11.776 -2.102 0.839 88 3HD2 LEU 14 HD23 LEU 14 13.474 -2.027 1.306 89 H GLN 15 HN GLN 15 10.013 -4.167 4.247 90 HA GLN 15 HA GLN 15 10.068 -2.546 6.593 91 1HB GLN 15 HB2 GLN 15 7.995 -3.631 4.767 92 2HB GLN 15 HB1 GLN 15 7.453 -3.257 6.402 93 1HG GLN 15 HG2 GLN 15 9.133 -1.266 4.902 94 2HG GLN 15 HG1 GLN 15 7.402 -1.373 4.578 95 1HE2 GLN 15 HE22 GLN 15 6.794 0.729 7.334 96 2HE2 GLN 15 HE21 GLN 15 6.509 0.388 5.697 97 H ALA 16 HN ALA 16 8.420 -5.681 6.086 98 HA ALA 16 HA ALA 16 7.964 -6.282 8.764 99 1HB ALA 16 HB3 ALA 16 7.046 -7.602 6.883 100 2HB ALA 16 HB2 ALA 16 8.659 -8.256 6.599 101 3HB ALA 16 HB1 ALA 16 7.806 -8.630 8.097 102 H SER 17 HN SER 17 10.882 -6.212 7.135 103 HA SER 17 HA SER 17 12.311 -7.946 8.994 104 1HB SER 17 HB2 SER 17 12.879 -7.358 6.482 105 2HB SER 17 HB1 SER 17 13.714 -5.990 7.211 106 HG SER 17 HG SER 17 14.817 -7.534 8.538 107 H ALA 18 HN ALA 18 10.866 -5.365 9.864 108 HA ALA 18 HA ALA 18 11.243 -3.656 11.423 109 1HB ALA 18 HB1 ALA 18 13.694 -5.343 12.017 110 2HB ALA 18 HB3 ALA 18 13.049 -4.071 13.055 111 3HB ALA 18 HB2 ALA 18 12.111 -5.536 12.769 112 H THR 19 HN THR 19 11.733 -2.503 9.223 113 HA THR 19 HA THR 19 14.600 -1.665 9.127 114 HB THR 19 HB THR 19 13.614 -2.494 7.008 115 HG1 THR 19 HG1 THR 19 14.733 -1.037 6.005 116 1HG2 THR 19 HG23 THR 19 11.315 -1.337 7.809 117 2HG2 THR 19 HG22 THR 19 11.920 -0.069 6.743 118 3HG2 THR 19 HG21 THR 19 11.662 -1.697 6.118 119 H GLU 20 HN GLU 20 11.523 -0.597 10.154 120 HA GLU 20 HA GLU 20 12.615 2.105 10.584 121 1HB GLU 20 HB2 GLU 20 9.996 2.698 10.117 122 2HB GLU 20 HB1 GLU 20 11.278 2.907 8.929 123 1HG GLU 20 HG2 GLU 20 10.861 0.559 8.153 124 2HG GLU 20 HG1 GLU 20 9.482 0.490 9.248 125 H TYR 21 HN TYR 21 9.982 0.030 11.158 126 HA TYR 21 HA TYR 21 10.145 -0.084 13.959 127 1HB TYR 21 HB2 TYR 21 8.395 1.487 14.663 128 2HB TYR 21 HB1 TYR 21 9.683 2.367 13.845 129 HD1 TYR 21 HD1 TYR 21 6.292 0.905 13.398 130 HD2 TYR 21 HD2 TYR 21 9.286 3.542 11.804 131 HE1 TYR 21 HE1 TYR 21 4.657 1.758 11.740 132 HE2 TYR 21 HE2 TYR 21 7.651 4.396 10.147 133 HH TYR 21 HH TYR 21 4.272 3.614 10.326 134 H ILE 22 HN ILE 22 8.093 0.015 11.102 135 HA ILE 22 HA ILE 22 6.252 -1.904 12.400 136 HB ILE 22 HB ILE 22 4.979 -0.236 11.326 137 1HG1 ILE 22 HG12 ILE 22 5.154 -2.051 8.964 138 2HG1 ILE 22 HG11 ILE 22 4.578 -2.690 10.479 139 1HG2 ILE 22 HG23 ILE 22 6.912 -0.547 9.074 140 2HG2 ILE 22 HG22 ILE 22 5.445 0.430 9.004 141 3HG2 ILE 22 HG21 ILE 22 6.726 0.833 10.141 142 1HD1 ILE 22 HD12 ILE 22 3.077 -0.571 10.566 143 2HD1 ILE 22 HD11 ILE 22 3.419 -0.466 8.848 144 3HD1 ILE 22 HD13 ILE 22 2.598 -1.886 9.493 145 H GLY 23 HN GLY 23 8.188 -3.375 12.328 146 1HA GLY 23 HA2 GLY 23 8.440 -4.651 9.660 147 2HA GLY 23 HA1 GLY 23 9.569 -4.872 10.999 148 H TYR 24 HN TYR 24 6.571 -4.873 12.363 149 HA TYR 24 HA TYR 24 6.572 -7.608 13.040 150 1HB TYR 24 HB2 TYR 24 3.984 -6.001 12.780 151 2HB TYR 24 HB1 TYR 24 4.335 -7.328 13.888 152 HD1 TYR 24 HD1 TYR 24 7.289 -5.817 14.146 153 HD2 TYR 24 HD2 TYR 24 3.167 -4.899 14.877 154 HE1 TYR 24 HE1 TYR 24 7.953 -4.085 15.758 155 HE2 TYR 24 HE2 TYR 24 3.822 -3.177 16.495 156 HH TYR 24 HH TYR 24 6.149 -2.892 18.038 157 H ALA 25 HN ALA 25 5.760 -5.893 10.122 158 HA ALA 25 HA ALA 25 5.640 -7.117 8.008 159 1HB ALA 25 HB1 ALA 25 5.841 -9.325 9.284 160 2HB ALA 25 HB3 ALA 25 4.083 -9.287 9.419 161 3HB ALA 25 HB2 ALA 25 4.844 -9.351 7.830 162 H TRP 26 HN TRP 26 3.796 -5.318 9.616 163 HA TRP 26 HA TRP 26 1.352 -5.927 8.010 164 1HB TRP 26 HB2 TRP 26 0.009 -5.235 9.716 165 2HB TRP 26 HB1 TRP 26 1.338 -5.927 10.620 166 HD1 TRP 26 HD1 TRP 26 -0.493 -2.744 10.063 167 HE1 TRP 26 HE1 TRP 26 0.519 -0.912 11.554 168 HE3 TRP 26 HE3 TRP 26 3.762 -4.956 11.444 169 HZ2 TRP 26 HZ2 TRP 26 2.801 -0.556 13.162 170 HZ3 TRP 26 HZ3 TRP 26 5.347 -3.836 12.952 171 HH2 TRP 26 HH2 TRP 26 4.869 -1.609 13.806 172 H ALA 27 HN ALA 27 3.842 -4.329 7.603 173 HA ALA 27 HA ALA 27 3.214 -1.607 7.483 174 1HB ALA 27 HB2 ALA 27 5.234 -3.376 6.225 175 2HB ALA 27 HB1 ALA 27 4.903 -1.859 5.390 176 3HB ALA 27 HB3 ALA 27 5.464 -1.841 7.061 177 H MET 28 HN MET 28 2.967 -4.199 5.142 178 HA MET 28 HA MET 28 1.537 -2.613 3.270 179 1HB MET 28 HB2 MET 28 1.434 -4.577 1.915 180 2HB MET 28 HB1 MET 28 3.017 -4.600 2.690 181 1HG MET 28 HG2 MET 28 1.381 -5.870 4.543 182 2HG MET 28 HG1 MET 28 0.778 -6.458 2.993 183 1HE MET 28 HE2 MET 28 2.315 -7.956 5.480 184 2HE MET 28 HE1 MET 28 4.049 -8.179 5.266 185 3HE MET 28 HE3 MET 28 3.400 -6.582 5.672 186 H VAL 29 HN VAL 29 0.816 -4.403 6.066 187 HA VAL 29 HA VAL 29 -1.816 -5.311 5.529 188 HB VAL 29 HB VAL 29 -0.264 -4.609 8.030 189 1HG1 VAL 29 HG13 VAL 29 -2.567 -3.710 8.412 190 2HG1 VAL 29 HG12 VAL 29 -3.234 -5.291 8.005 191 3HG1 VAL 29 HG11 VAL 29 -2.217 -5.105 9.435 192 1HG2 VAL 29 HG21 VAL 29 -0.144 -6.829 6.817 193 2HG2 VAL 29 HG23 VAL 29 -0.631 -6.947 8.508 194 3HG2 VAL 29 HG22 VAL 29 -1.840 -7.081 7.231 195 H VAL 30 HN VAL 30 -1.020 -2.391 7.465 196 HA VAL 30 HA VAL 30 -3.660 -1.273 6.921 197 HB VAL 30 HB VAL 30 -1.211 -0.277 8.385 198 1HG1 VAL 30 HG11 VAL 30 -2.282 1.648 7.227 199 2HG1 VAL 30 HG13 VAL 30 -3.823 1.214 7.968 200 3HG1 VAL 30 HG12 VAL 30 -2.477 1.742 8.977 201 1HG2 VAL 30 HG21 VAL 30 -2.846 -1.989 9.358 202 2HG2 VAL 30 HG23 VAL 30 -2.590 -0.537 10.325 203 3HG2 VAL 30 HG22 VAL 30 -4.050 -0.701 9.349 204 H VAL 31 HN VAL 31 -0.316 -0.484 5.903 205 HA VAL 31 HA VAL 31 -0.855 1.832 4.417 206 HB VAL 31 HB VAL 31 1.062 -0.416 3.764 207 1HG1 VAL 31 HG12 VAL 31 0.916 2.445 2.773 208 2HG1 VAL 31 HG11 VAL 31 2.272 1.353 2.487 209 3HG1 VAL 31 HG13 VAL 31 0.687 0.989 1.803 210 1HG2 VAL 31 HG22 VAL 31 1.420 2.207 5.248 211 2HG2 VAL 31 HG21 VAL 31 1.398 0.606 5.987 212 3HG2 VAL 31 HG23 VAL 31 2.706 1.054 4.891 213 H ILE 32 HN ILE 32 -1.020 -1.562 3.271 214 HA ILE 32 HA ILE 32 -1.919 -0.846 0.655 215 HB ILE 32 HB ILE 32 -1.078 -3.118 1.591 216 1HG1 ILE 32 HG12 ILE 32 -2.863 -4.069 -0.291 217 2HG1 ILE 32 HG11 ILE 32 -2.703 -2.355 -0.678 218 1HG2 ILE 32 HG22 ILE 32 -4.059 -3.443 1.854 219 2HG2 ILE 32 HG21 ILE 32 -2.891 -4.761 1.928 220 3HG2 ILE 32 HG23 ILE 32 -2.900 -3.519 3.179 221 1HD1 ILE 32 HD12 ILE 32 -0.155 -3.707 -0.050 222 2HD1 ILE 32 HD11 ILE 32 -0.951 -4.288 -1.513 223 3HD1 ILE 32 HD13 ILE 32 -0.541 -2.580 -1.351 224 H VAL 33 HN VAL 33 -3.792 -1.934 3.529 225 HA VAL 33 HA VAL 33 -6.318 -1.819 2.362 226 HB VAL 33 HB VAL 33 -5.595 -0.716 5.107 227 1HG1 VAL 33 HG12 VAL 33 -7.911 -0.214 4.093 228 2HG1 VAL 33 HG11 VAL 33 -8.214 -1.946 4.235 229 3HG1 VAL 33 HG13 VAL 33 -7.884 -0.987 5.678 230 1HG2 VAL 33 HG23 VAL 33 -5.114 -3.249 4.207 231 2HG2 VAL 33 HG22 VAL 33 -5.488 -2.862 5.887 232 3HG2 VAL 33 HG21 VAL 33 -6.764 -3.421 4.806 233 H GLY 34 HN GLY 34 -4.111 0.781 2.999 234 1HA GLY 34 HA2 GLY 34 -6.077 2.905 2.672 235 2HA GLY 34 HA1 GLY 34 -4.321 3.083 2.506 236 H ALA 35 HN ALA 35 -3.664 1.324 0.596 237 HA ALA 35 HA ALA 35 -4.480 2.592 -1.843 238 1HB ALA 35 HB1 ALA 35 -2.496 0.744 -1.026 239 2HB ALA 35 HB3 ALA 35 -3.411 -0.041 -2.313 240 3HB ALA 35 HB2 ALA 35 -2.652 1.525 -2.600 241 H THR 36 HN THR 36 -5.273 -0.746 -0.559 242 HA THR 36 HA THR 36 -6.959 -1.471 -2.706 243 HB THR 36 HB THR 36 -7.260 -2.191 0.224 244 HG1 THR 36 HG1 THR 36 -5.905 -3.861 -0.263 245 1HG2 THR 36 HG22 THR 36 -8.510 -3.165 -2.310 246 2HG2 THR 36 HG21 THR 36 -8.140 -4.347 -1.054 247 3HG2 THR 36 HG23 THR 36 -9.217 -2.996 -0.703 248 H ILE 37 HN ILE 37 -8.094 -0.282 0.479 249 HA ILE 37 HA ILE 37 -10.775 0.220 -0.390 250 HB ILE 37 HB ILE 37 -9.291 1.645 1.827 251 1HG1 ILE 37 HG12 ILE 37 -8.975 -0.750 2.100 252 2HG1 ILE 37 HG11 ILE 37 -10.199 -0.219 3.254 253 1HG2 ILE 37 HG23 ILE 37 -11.924 1.870 0.837 254 2HG2 ILE 37 HG22 ILE 37 -12.052 0.924 2.320 255 3HG2 ILE 37 HG21 ILE 37 -11.301 2.520 2.353 256 1HD1 ILE 37 HD12 ILE 37 -11.922 -0.841 1.440 257 2HD1 ILE 37 HD11 ILE 37 -10.600 -1.708 0.660 258 3HD1 ILE 37 HD13 ILE 37 -11.123 -2.171 2.280 259 H GLY 38 HN GLY 38 -7.895 2.053 -0.862 260 1HA GLY 38 HA2 GLY 38 -9.173 4.638 -1.213 261 2HA GLY 38 HA1 GLY 38 -7.522 4.232 -1.692 262 H ILE 39 HN ILE 39 -7.408 2.697 -3.610 263 HA ILE 39 HA ILE 39 -8.792 3.838 -5.825 264 HB ILE 39 HB ILE 39 -7.364 1.170 -5.654 265 1HG1 ILE 39 HG12 ILE 39 -6.072 3.662 -6.693 266 2HG1 ILE 39 HG11 ILE 39 -6.195 3.461 -4.945 267 1HG2 ILE 39 HG21 ILE 39 -8.249 2.973 -7.903 268 2HG2 ILE 39 HG23 ILE 39 -6.896 1.863 -8.117 269 3HG2 ILE 39 HG22 ILE 39 -8.496 1.236 -7.722 270 1HD1 ILE 39 HD12 ILE 39 -5.098 1.294 -6.744 271 2HD1 ILE 39 HD11 ILE 39 -4.071 2.537 -6.030 272 3HD1 ILE 39 HD13 ILE 39 -4.957 1.421 -4.991 273 H LYS 40 HN LYS 40 -9.771 1.625 -3.423 274 HA LYS 40 HA LYS 40 -11.486 -0.048 -5.081 275 1HB LYS 40 HB2 LYS 40 -10.883 -0.914 -2.928 276 2HB LYS 40 HB1 LYS 40 -11.442 0.546 -2.111 277 1HG LYS 40 HG2 LYS 40 -13.574 -0.557 -3.718 278 2HG LYS 40 HG1 LYS 40 -12.936 -1.794 -2.635 279 1HD LYS 40 HD2 LYS 40 -13.048 0.465 -1.024 280 2HD LYS 40 HD1 LYS 40 -14.508 0.591 -2.005 281 1HE LYS 40 HE2 LYS 40 -13.944 -2.120 -0.979 282 2HE LYS 40 HE1 LYS 40 -14.318 -0.923 0.262 283 1HZ LYS 40 HZ1 LYS 40 -16.310 -0.326 -1.019 284 2HZ LYS 40 HZ3 LYS 40 -15.966 -1.564 -2.125 285 3HZ LYS 40 HZ2 LYS 40 -16.334 -1.947 -0.511 286 H LEU 41 HN LEU 41 -12.243 2.653 -2.828 287 HA LEU 41 HA LEU 41 -14.964 2.848 -3.894 288 1HB LEU 41 HB2 LEU 41 -13.760 3.603 -1.528 289 2HB LEU 41 HB1 LEU 41 -13.967 5.146 -2.359 290 HG LEU 41 HG LEU 41 -15.982 4.765 -1.114 291 1HD1 LEU 41 HD11 LEU 41 -16.114 5.463 -3.596 292 2HD1 LEU 41 HD13 LEU 41 -16.672 3.817 -3.896 293 3HD1 LEU 41 HD12 LEU 41 -17.599 4.884 -2.842 294 1HD2 LEU 41 HD23 LEU 41 -15.531 2.265 -0.899 295 2HD2 LEU 41 HD22 LEU 41 -17.217 2.706 -1.163 296 3HD2 LEU 41 HD21 LEU 41 -16.249 2.084 -2.499 297 H PHE 42 HN PHE 42 -11.884 4.366 -4.541 298 HA PHE 42 HA PHE 42 -13.047 6.641 -5.963 299 1HB PHE 42 HB2 PHE 42 -10.270 5.566 -5.555 300 2HB PHE 42 HB1 PHE 42 -10.563 6.767 -6.812 301 HD1 PHE 42 HD1 PHE 42 -11.599 6.169 -3.248 302 HD2 PHE 42 HD2 PHE 42 -10.243 8.982 -6.197 303 HE1 PHE 42 HE1 PHE 42 -11.597 7.962 -1.536 304 HE2 PHE 42 HE2 PHE 42 -10.242 10.776 -4.485 305 HZ PHE 42 HZ PHE 42 -10.919 10.266 -2.154 306 H LYS 43 HN LYS 43 -11.254 3.719 -6.966 307 HA LYS 43 HA LYS 43 -11.629 4.166 -9.777 308 1HB LYS 43 HB2 LYS 43 -9.896 2.653 -8.727 309 2HB LYS 43 HB1 LYS 43 -11.192 1.499 -8.410 310 1HG LYS 43 HG2 LYS 43 -11.716 1.840 -10.972 311 2HG LYS 43 HG1 LYS 43 -10.035 2.368 -11.035 312 1HD LYS 43 HD2 LYS 43 -9.314 0.253 -10.007 313 2HD LYS 43 HD1 LYS 43 -10.993 -0.279 -9.910 314 1HE LYS 43 HE2 LYS 43 -11.204 -0.406 -12.274 315 2HE LYS 43 HE1 LYS 43 -9.726 0.520 -12.532 316 1HZ LYS 43 HZ3 LYS 43 -8.641 -1.412 -11.236 317 2HZ LYS 43 HZ2 LYS 43 -10.038 -2.276 -11.668 318 3HZ LYS 43 HZ1 LYS 43 -9.029 -1.630 -12.872 319 H LYS 44 HN LYS 44 -13.551 2.487 -7.331 320 HA LYS 44 HA LYS 44 -15.336 1.253 -9.273 321 1HB LYS 44 HB2 LYS 44 -15.387 1.638 -6.290 322 2HB LYS 44 HB1 LYS 44 -16.806 1.029 -7.142 323 1HG LYS 44 HG2 LYS 44 -14.286 -0.277 -7.928 324 2HG LYS 44 HG1 LYS 44 -14.741 -0.544 -6.245 325 1HD LYS 44 HD2 LYS 44 -16.491 -1.865 -6.812 326 2HD LYS 44 HD1 LYS 44 -17.001 -0.774 -8.101 327 1HE LYS 44 HE2 LYS 44 -16.036 -2.077 -9.662 328 2HE LYS 44 HE1 LYS 44 -14.496 -2.035 -8.802 329 1HZ LYS 44 HZ1 LYS 44 -15.373 -3.775 -7.320 330 2HZ LYS 44 HZ3 LYS 44 -16.771 -3.866 -8.274 331 3HZ LYS 44 HZ2 LYS 44 -15.264 -4.285 -8.937 332 H PHE 45 HN PHE 45 -14.995 4.408 -8.041 333 HA PHE 45 HA PHE 45 -17.508 5.480 -7.714 334 1HB PHE 45 HB2 PHE 45 -15.169 6.651 -7.963 335 2HB PHE 45 HB1 PHE 45 -15.659 6.852 -9.645 336 HD1 PHE 45 HD1 PHE 45 -16.784 7.456 -6.135 337 HD2 PHE 45 HD2 PHE 45 -17.167 8.558 -10.269 338 HE1 PHE 45 HE1 PHE 45 -18.216 9.376 -5.490 339 HE2 PHE 45 HE2 PHE 45 -18.599 10.478 -9.625 340 HZ PHE 45 HZ PHE 45 -19.124 10.887 -7.236 341 H THR 46 HN THR 46 -16.033 4.654 -10.850 342 HA THR 46 HA THR 46 -18.202 3.688 -12.144 343 HB THR 46 HB THR 46 -18.669 6.025 -13.487 344 HG1 THR 46 HG1 THR 46 -17.430 7.096 -11.822 345 1HG2 THR 46 HG21 THR 46 -20.040 4.470 -11.373 346 2HG2 THR 46 HG23 THR 46 -20.657 6.099 -11.647 347 3HG2 THR 46 HG22 THR 46 -20.607 4.940 -12.976 348 H SER 47 HN SER 47 -15.340 3.597 -12.255 349 HA SER 47 HA SER 47 -14.947 3.457 -15.074 350 1HB SER 47 HB2 SER 47 -13.654 5.352 -15.535 351 2HB SER 47 HB1 SER 47 -14.955 5.993 -14.541 352 HG SER 47 HG SER 47 -13.540 6.472 -13.069 353 H LYS 48 HN LYS 48 -12.076 4.148 -14.913 354 HA LYS 48 HA LYS 48 -11.205 1.873 -13.177 355 1HB LYS 48 HB2 LYS 48 -10.377 2.787 -15.905 356 2HB LYS 48 HB1 LYS 48 -9.167 2.024 -14.873 357 1HG LYS 48 HG2 LYS 48 -10.842 0.141 -14.503 358 2HG LYS 48 HG1 LYS 48 -11.802 0.858 -15.798 359 1HD LYS 48 HD2 LYS 48 -10.537 -0.296 -17.261 360 2HD LYS 48 HD1 LYS 48 -9.189 0.752 -16.814 361 1HE LYS 48 HE2 LYS 48 -8.503 -1.558 -16.500 362 2HE LYS 48 HE1 LYS 48 -8.681 -0.804 -14.915 363 1HZ LYS 48 HZ2 LYS 48 -10.892 -1.763 -14.745 364 2HZ LYS 48 HZ1 LYS 48 -10.712 -2.497 -16.267 365 3HZ LYS 48 HZ3 LYS 48 -9.725 -2.978 -14.974 366 H ALA 49 HN ALA 49 -11.139 5.197 -13.406 367 HA ALA 49 HA ALA 49 -8.971 5.359 -11.439 368 1HB ALA 49 HB2 ALA 49 -8.570 6.056 -14.257 369 2HB ALA 49 HB1 ALA 49 -8.204 7.391 -13.164 370 3HB ALA 49 HB3 ALA 49 -7.379 5.844 -12.973 371 H SER 50 HN SER 50 -11.697 5.890 -11.145 372 HA SER 50 HA SER 50 -13.078 7.557 -10.230 373 1HB SER 50 HB2 SER 50 -10.468 8.375 -9.640 374 2HB SER 50 HB1 SER 50 -11.218 9.793 -10.366 375 HG SER 50 HG SER 50 -12.879 9.628 -8.855 No H/Q in entry = 375 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 12.517 8.701 -16.999 2 2H ALA 1 HT3 ALA 1 10.996 8.943 -17.706 3 3H ALA 1 HT2 ALA 1 12.353 9.765 -18.313 4 HA ALA 1 HA ALA 1 12.321 11.330 -16.717 5 1HB ALA 1 HB1 ALA 1 9.950 11.033 -17.740 6 2HB ALA 1 HB3 ALA 1 9.522 10.344 -16.174 7 3HB ALA 1 HB2 ALA 1 10.101 12.006 -16.277 8 H GLU 2 HN GLU 2 12.767 11.709 -14.553 9 HA GLU 2 HA GLU 2 12.798 9.337 -12.799 10 1HB GLU 2 HB2 GLU 2 14.726 11.021 -13.045 11 2HB GLU 2 HB1 GLU 2 13.737 12.115 -12.078 12 1HG GLU 2 HG2 GLU 2 13.533 10.134 -10.419 13 2HG GLU 2 HG1 GLU 2 14.911 9.455 -11.286 14 H GLY 3 HN GLY 3 10.952 8.933 -11.679 15 1HA GLY 3 HA2 GLY 3 9.471 11.285 -10.564 16 2HA GLY 3 HA1 GLY 3 8.664 9.809 -11.097 17 H ASP 4 HN ASP 4 9.034 7.843 -9.848 18 HA ASP 4 HA ASP 4 10.334 8.198 -7.210 19 1HB ASP 4 HB2 ASP 4 7.417 7.966 -7.673 20 2HB ASP 4 HB1 ASP 4 8.070 6.912 -6.419 21 H ASP 5 HN ASP 5 10.589 6.076 -6.092 22 HA ASP 5 HA ASP 5 9.914 3.558 -6.995 23 1HB ASP 5 HB2 ASP 5 11.644 4.866 -8.910 24 2HB ASP 5 HB1 ASP 5 12.449 3.446 -8.243 25 HA PRO 6 HA PRO 6 14.083 3.242 -4.697 26 1HB PRO 6 HB2 PRO 6 15.563 5.536 -4.383 27 2HB PRO 6 HB1 PRO 6 15.738 4.434 -5.762 28 1HG PRO 6 HG2 PRO 6 14.428 7.121 -5.666 29 2HG PRO 6 HG1 PRO 6 15.162 6.282 -7.043 30 1HD PRO 6 HD2 PRO 6 12.384 6.472 -6.500 31 2HD PRO 6 HD1 PRO 6 13.145 5.390 -7.683 32 H ALA 7 HN ALA 7 11.520 5.121 -4.041 33 HA ALA 7 HA ALA 7 12.429 5.754 -1.264 34 1HB ALA 7 HB1 ALA 7 10.195 6.994 -2.900 35 2HB ALA 7 HB3 ALA 7 10.561 7.399 -1.223 36 3HB ALA 7 HB2 ALA 7 11.733 7.754 -2.492 37 H LYS 8 HN LYS 8 9.662 4.553 -3.180 38 HA LYS 8 HA LYS 8 8.245 3.640 -0.797 39 1HB LYS 8 HB2 LYS 8 6.799 2.454 -2.546 40 2HB LYS 8 HB1 LYS 8 6.868 4.213 -2.661 41 1HG LYS 8 HG2 LYS 8 8.124 4.179 -4.592 42 2HG LYS 8 HG1 LYS 8 8.923 2.664 -4.169 43 1HD LYS 8 HD2 LYS 8 6.909 1.399 -4.693 44 2HD LYS 8 HD1 LYS 8 6.015 2.890 -4.993 45 1HE LYS 8 HE2 LYS 8 8.520 2.190 -6.531 46 2HE LYS 8 HE1 LYS 8 6.920 1.669 -7.060 47 1HZ LYS 8 HZ3 LYS 8 7.202 4.476 -6.353 48 2HZ LYS 8 HZ2 LYS 8 7.993 3.979 -7.772 49 3HZ LYS 8 HZ1 LYS 8 6.316 3.756 -7.606 50 H ALA 9 HN ALA 9 10.438 2.226 -3.163 51 HA ALA 9 HA ALA 9 9.994 -0.517 -2.648 52 1HB ALA 9 HB2 ALA 9 12.295 1.112 -3.620 53 2HB ALA 9 HB1 ALA 9 12.652 -0.524 -3.065 54 3HB ALA 9 HB3 ALA 9 11.498 -0.269 -4.374 55 H ALA 10 HN ALA 10 12.613 1.467 -1.195 56 HA ALA 10 HA ALA 10 13.217 -0.429 0.852 57 1HB ALA 10 HB2 ALA 10 13.614 2.577 0.842 58 2HB ALA 10 HB1 ALA 10 14.362 1.459 1.982 59 3HB ALA 10 HB3 ALA 10 14.770 1.375 0.269 60 H PHE 11 HN PHE 11 10.972 2.339 0.790 61 HA PHE 11 HA PHE 11 10.242 2.546 3.447 62 1HB PHE 11 HB2 PHE 11 8.958 3.065 0.917 63 2HB PHE 11 HB1 PHE 11 7.780 2.412 2.058 64 HD1 PHE 11 HD1 PHE 11 10.830 4.411 2.818 65 HD2 PHE 11 HD2 PHE 11 6.539 4.333 2.687 66 HE1 PHE 11 HE1 PHE 11 10.757 6.590 3.997 67 HE2 PHE 11 HE2 PHE 11 6.463 6.513 3.865 68 HZ PHE 11 HZ PHE 11 8.573 7.643 4.521 69 H ASP 12 HN ASP 12 8.980 0.112 1.156 70 HA ASP 12 HA ASP 12 7.475 -1.320 3.142 71 1HB ASP 12 HB2 ASP 12 8.605 -2.108 0.447 72 2HB ASP 12 HB1 ASP 12 7.661 -3.221 1.438 73 H SER 13 HN SER 13 10.785 -1.651 1.882 74 HA SER 13 HA SER 13 11.423 -4.018 3.410 75 1HB SER 13 HB2 SER 13 12.720 -3.312 1.421 76 2HB SER 13 HB1 SER 13 13.269 -1.882 2.289 77 HG SER 13 HG SER 13 14.386 -4.232 2.275 78 H LEU 14 HN LEU 14 13.077 -0.879 3.853 79 HA LEU 14 HA LEU 14 13.963 -1.185 6.434 80 1HB LEU 14 HB2 LEU 14 13.862 1.235 6.708 81 2HB LEU 14 HB1 LEU 14 14.310 0.858 5.046 82 HG LEU 14 HG LEU 14 11.668 0.945 4.698 83 1HD1 LEU 14 HD13 LEU 14 12.155 2.129 7.342 84 2HD1 LEU 14 HD12 LEU 14 11.254 3.184 6.253 85 3HD1 LEU 14 HD11 LEU 14 10.645 1.571 6.622 86 1HD2 LEU 14 HD22 LEU 14 13.724 2.474 3.910 87 2HD2 LEU 14 HD21 LEU 14 12.053 2.959 3.627 88 3HD2 LEU 14 HD23 LEU 14 12.947 3.631 4.991 89 H GLN 15 HN GLN 15 10.585 -0.840 5.523 90 HA GLN 15 HA GLN 15 9.633 -0.154 8.151 91 1HB GLN 15 HB2 GLN 15 8.417 -0.974 5.560 92 2HB GLN 15 HB1 GLN 15 7.479 -1.306 7.014 93 1HG GLN 15 HG2 GLN 15 8.131 1.171 7.635 94 2HG GLN 15 HG1 GLN 15 8.352 1.333 5.896 95 1HE2 GLN 15 HE22 GLN 15 4.595 0.998 7.427 96 2HE2 GLN 15 HE21 GLN 15 5.955 0.866 8.433 97 H ALA 16 HN ALA 16 9.631 -3.170 6.220 98 HA ALA 16 HA ALA 16 8.701 -4.878 8.236 99 1HB ALA 16 HB2 ALA 16 9.214 -5.368 5.734 100 2HB ALA 16 HB1 ALA 16 10.819 -5.783 6.336 101 3HB ALA 16 HB3 ALA 16 9.406 -6.670 6.909 102 H SER 17 HN SER 17 11.604 -3.247 8.011 103 HA SER 17 HA SER 17 13.113 -5.018 9.771 104 1HB SER 17 HB2 SER 17 13.653 -2.280 8.624 105 2HB SER 17 HB1 SER 17 14.736 -3.030 9.792 106 HG SER 17 HG SER 17 13.907 -4.151 7.309 107 H ALA 18 HN ALA 18 10.498 -3.569 10.568 108 HA ALA 18 HA ALA 18 9.601 -2.622 12.505 109 1HB ALA 18 HB1 ALA 18 12.222 -3.704 13.563 110 2HB ALA 18 HB3 ALA 18 10.976 -3.002 14.595 111 3HB ALA 18 HB2 ALA 18 10.632 -4.460 13.665 112 H THR 19 HN THR 19 10.135 -0.569 11.133 113 HA THR 19 HA THR 19 12.162 1.076 12.597 114 HB THR 19 HB THR 19 12.293 0.762 10.033 115 HG1 THR 19 HG1 THR 19 12.391 3.345 10.069 116 1HG2 THR 19 HG21 THR 19 9.839 1.163 9.684 117 2HG2 THR 19 HG23 THR 19 10.097 2.845 10.149 118 3HG2 THR 19 HG22 THR 19 10.870 2.202 8.701 119 H GLU 20 HN GLU 20 8.762 0.719 12.019 120 HA GLU 20 HA GLU 20 8.309 3.242 13.502 121 1HB GLU 20 HB2 GLU 20 5.967 2.887 12.085 122 2HB GLU 20 HB1 GLU 20 7.212 4.071 11.709 123 1HG GLU 20 HG2 GLU 20 8.357 2.222 10.370 124 2HG GLU 20 HG1 GLU 20 6.861 1.312 10.540 125 H TYR 21 HN TYR 21 6.966 0.261 12.561 126 HA TYR 21 HA TYR 21 6.321 -0.722 15.106 127 1HB TYR 21 HB2 TYR 21 3.903 -0.279 15.262 128 2HB TYR 21 HB1 TYR 21 4.792 1.242 15.248 129 HD1 TYR 21 HD2 TYR 21 2.808 -1.101 13.162 130 HD2 TYR 21 HD1 TYR 21 4.545 2.816 13.458 131 HE1 TYR 21 HE2 TYR 21 1.550 -0.392 11.147 132 HE2 TYR 21 HE1 TYR 21 3.287 3.525 11.441 133 HH TYR 21 HH TYR 21 0.832 2.441 10.335 134 H ILE 22 HN ILE 22 5.402 -0.437 11.714 135 HA ILE 22 HA ILE 22 4.423 -3.233 11.789 136 HB ILE 22 HB ILE 22 2.876 -1.931 10.579 137 1HG1 ILE 22 HG12 ILE 22 4.588 -2.650 8.240 138 2HG1 ILE 22 HG11 ILE 22 3.971 -3.918 9.260 139 1HG2 ILE 22 HG22 ILE 22 5.263 -0.712 9.264 140 2HG2 ILE 22 HG21 ILE 22 3.588 -0.394 8.815 141 3HG2 ILE 22 HG23 ILE 22 4.171 0.054 10.409 142 1HD1 ILE 22 HD12 ILE 22 1.694 -2.669 9.045 143 2HD1 ILE 22 HD11 ILE 22 2.444 -1.928 7.643 144 3HD1 ILE 22 HD13 ILE 22 2.237 -3.677 7.702 145 H GLY 23 HN GLY 23 6.698 -3.835 12.238 146 1HA GLY 23 HA2 GLY 23 8.281 -3.907 9.726 147 2HA GLY 23 HA1 GLY 23 8.956 -4.133 11.341 148 H TYR 24 HN TYR 24 6.039 -5.679 11.377 149 HA TYR 24 HA TYR 24 7.097 -8.284 11.527 150 1HB TYR 24 HB2 TYR 24 4.259 -7.750 10.525 151 2HB TYR 24 HB1 TYR 24 4.842 -9.132 11.449 152 HD1 TYR 24 HD1 TYR 24 6.558 -6.809 13.105 153 HD2 TYR 24 HD2 TYR 24 2.458 -7.756 12.278 154 HE1 TYR 24 HE1 TYR 24 5.860 -5.568 15.111 155 HE2 TYR 24 HE2 TYR 24 1.756 -6.526 14.286 156 HH TYR 24 HH TYR 24 3.952 -5.534 16.696 157 H ALA 25 HN ALA 25 6.477 -6.157 8.849 158 HA ALA 25 HA ALA 25 7.523 -6.567 6.685 159 1HB ALA 25 HB2 ALA 25 8.403 -8.811 7.582 160 2HB ALA 25 HB1 ALA 25 6.897 -9.507 6.987 161 3HB ALA 25 HB3 ALA 25 8.017 -8.739 5.863 162 H TRP 26 HN TRP 26 4.757 -6.128 7.651 163 HA TRP 26 HA TRP 26 3.388 -7.163 5.206 164 1HB TRP 26 HB2 TRP 26 1.521 -7.671 6.397 165 2HB TRP 26 HB1 TRP 26 2.735 -7.964 7.618 166 HD1 TRP 26 HD1 TRP 26 -0.181 -5.754 6.831 167 HE1 TRP 26 HE1 TRP 26 -0.636 -4.233 8.857 168 HE3 TRP 26 HE3 TRP 26 3.987 -6.480 9.456 169 HZ2 TRP 26 HZ2 TRP 26 0.627 -3.552 11.281 170 HZ3 TRP 26 HZ3 TRP 26 4.349 -5.375 11.623 171 HH2 TRP 26 HH2 TRP 26 2.656 -3.883 12.535 172 H ALA 27 HN ALA 27 4.852 -4.717 5.859 173 HA ALA 27 HA ALA 27 3.151 -2.527 6.129 174 1HB ALA 27 HB1 ALA 27 5.637 -2.349 6.214 175 2HB ALA 27 HB3 ALA 27 5.685 -2.666 4.481 176 3HB ALA 27 HB2 ALA 27 4.926 -1.195 5.087 177 H MET 28 HN MET 28 4.252 -4.326 3.343 178 HA MET 28 HA MET 28 2.733 -2.857 1.465 179 1HB MET 28 HB2 MET 28 4.792 -4.240 0.941 180 2HB MET 28 HB1 MET 28 3.775 -5.665 1.151 181 1HG MET 28 HG2 MET 28 2.201 -4.318 -0.543 182 2HG MET 28 HG1 MET 28 3.749 -3.622 -1.022 183 1HE MET 28 HE1 MET 28 3.798 -4.397 -3.298 184 2HE MET 28 HE3 MET 28 5.385 -4.713 -2.579 185 3HE MET 28 HE2 MET 28 4.657 -5.890 -3.669 186 H VAL 29 HN VAL 29 2.163 -5.466 3.636 187 HA VAL 29 HA VAL 29 -0.084 -6.692 2.377 188 HB VAL 29 HB VAL 29 0.824 -6.482 5.272 189 1HG1 VAL 29 HG12 VAL 29 -1.688 -6.578 5.157 190 2HG1 VAL 29 HG11 VAL 29 -1.551 -8.075 4.232 191 3HG1 VAL 29 HG13 VAL 29 -0.967 -8.009 5.896 192 1HG2 VAL 29 HG21 VAL 29 2.044 -7.945 3.631 193 2HG2 VAL 29 HG23 VAL 29 1.311 -8.849 4.956 194 3HG2 VAL 29 HG22 VAL 29 0.545 -8.838 3.367 195 H VAL 30 HN VAL 30 -0.322 -4.652 5.295 196 HA VAL 30 HA VAL 30 -3.034 -4.009 5.006 197 HB VAL 30 HB VAL 30 -2.266 -1.781 6.199 198 1HG1 VAL 30 HG11 VAL 30 -1.852 -4.538 7.395 199 2HG1 VAL 30 HG13 VAL 30 -2.080 -3.051 8.316 200 3HG1 VAL 30 HG12 VAL 30 -3.385 -3.671 7.305 201 1HG2 VAL 30 HG23 VAL 30 0.220 -2.862 5.443 202 2HG2 VAL 30 HG22 VAL 30 -0.049 -1.531 6.565 203 3HG2 VAL 30 HG21 VAL 30 0.090 -3.182 7.171 204 H VAL 31 HN VAL 31 -0.231 -2.138 3.791 205 HA VAL 31 HA VAL 31 -1.598 -0.016 2.593 206 HB VAL 31 HB VAL 31 0.857 -1.519 1.651 207 1HG1 VAL 31 HG11 VAL 31 -0.416 1.027 0.610 208 2HG1 VAL 31 HG13 VAL 31 1.265 0.590 0.296 209 3HG1 VAL 31 HG12 VAL 31 -0.039 -0.436 -0.302 210 1HG2 VAL 31 HG22 VAL 31 0.403 0.219 3.793 211 2HG2 VAL 31 HG21 VAL 31 1.974 -0.201 3.110 212 3HG2 VAL 31 HG23 VAL 31 1.129 1.243 2.554 213 H ILE 32 HN ILE 32 -1.208 -3.337 1.371 214 HA ILE 32 HA ILE 32 -2.330 -2.744 -1.213 215 HB ILE 32 HB ILE 32 -1.057 -4.885 -0.252 216 1HG1 ILE 32 HG12 ILE 32 -1.566 -4.158 -2.629 217 2HG1 ILE 32 HG11 ILE 32 -1.431 -5.897 -2.367 218 1HG2 ILE 32 HG21 ILE 32 -3.961 -5.671 -0.248 219 2HG2 ILE 32 HG23 ILE 32 -2.637 -6.832 -0.303 220 3HG2 ILE 32 HG22 ILE 32 -2.839 -5.792 1.100 221 1HD1 ILE 32 HD12 ILE 32 -4.134 -4.772 -1.940 222 2HD1 ILE 32 HD11 ILE 32 -3.553 -4.717 -3.605 223 3HD1 ILE 32 HD13 ILE 32 -3.649 -6.259 -2.754 224 H VAL 33 HN VAL 33 -3.822 -4.329 1.661 225 HA VAL 33 HA VAL 33 -6.385 -4.583 0.600 226 HB VAL 33 HB VAL 33 -5.794 -3.568 3.411 227 1HG1 VAL 33 HG12 VAL 33 -8.190 -4.529 1.987 228 2HG1 VAL 33 HG11 VAL 33 -7.910 -5.316 3.540 229 3HG1 VAL 33 HG13 VAL 33 -8.067 -3.561 3.456 230 1HG2 VAL 33 HG21 VAL 33 -5.310 -6.161 2.083 231 2HG2 VAL 33 HG23 VAL 33 -4.607 -5.508 3.564 232 3HG2 VAL 33 HG22 VAL 33 -6.194 -6.277 3.606 233 H GLY 34 HN GLY 34 -4.653 -1.684 1.421 234 1HA GLY 34 HA2 GLY 34 -6.956 0.083 1.367 235 2HA GLY 34 HA1 GLY 34 -5.276 0.570 1.080 236 H ALA 35 HN ALA 35 -4.488 -0.886 -1.012 237 HA ALA 35 HA ALA 35 -5.777 0.343 -3.271 238 1HB ALA 35 HB1 ALA 35 -3.747 -1.902 -3.101 239 2HB ALA 35 HB3 ALA 35 -4.246 -1.128 -4.606 240 3HB ALA 35 HB2 ALA 35 -3.412 -0.191 -3.367 241 H THR 36 HN THR 36 -5.645 -3.198 -2.287 242 HA THR 36 HA THR 36 -7.274 -4.186 -4.327 243 HB THR 36 HB THR 36 -7.283 -4.975 -1.397 244 HG1 THR 36 HG1 THR 36 -5.763 -6.446 -2.048 245 1HG2 THR 36 HG21 THR 36 -8.321 -6.406 -3.858 246 2HG2 THR 36 HG23 THR 36 -8.150 -7.149 -2.267 247 3HG2 THR 36 HG22 THR 36 -9.283 -5.819 -2.502 248 H ILE 37 HN ILE 37 -8.473 -3.177 -1.114 249 HA ILE 37 HA ILE 37 -11.247 -3.172 -1.942 250 HB ILE 37 HB ILE 37 -9.981 -1.671 0.362 251 1HG1 ILE 37 HG12 ILE 37 -10.998 -4.528 0.180 252 2HG1 ILE 37 HG11 ILE 37 -9.324 -4.032 0.429 253 1HG2 ILE 37 HG21 ILE 37 -12.508 -1.432 -0.507 254 2HG2 ILE 37 HG23 ILE 37 -12.700 -2.902 0.448 255 3HG2 ILE 37 HG22 ILE 37 -12.112 -1.424 1.211 256 1HD1 ILE 37 HD13 ILE 37 -11.447 -3.060 2.316 257 2HD1 ILE 37 HD12 ILE 37 -10.797 -4.688 2.503 258 3HD1 ILE 37 HD11 ILE 37 -9.723 -3.292 2.606 259 H GLY 38 HN GLY 38 -8.712 -0.876 -2.309 260 1HA GLY 38 HA2 GLY 38 -10.382 1.492 -2.494 261 2HA GLY 38 HA1 GLY 38 -8.689 1.383 -2.986 262 H ILE 39 HN ILE 39 -8.281 0.186 -5.037 263 HA ILE 39 HA ILE 39 -9.844 1.189 -7.169 264 HB ILE 39 HB ILE 39 -7.910 -1.135 -6.995 265 1HG1 ILE 39 HG12 ILE 39 -6.909 0.802 -8.692 266 2HG1 ILE 39 HG11 ILE 39 -7.753 1.761 -7.475 267 1HG2 ILE 39 HG21 ILE 39 -9.262 0.049 -9.440 268 2HG2 ILE 39 HG23 ILE 39 -7.927 -1.104 -9.481 269 3HG2 ILE 39 HG22 ILE 39 -9.488 -1.585 -8.816 270 1HD1 ILE 39 HD12 ILE 39 -6.266 -0.409 -6.243 271 2HD1 ILE 39 HD11 ILE 39 -5.208 0.612 -7.219 272 3HD1 ILE 39 HD13 ILE 39 -6.175 1.324 -5.926 273 H LYS 40 HN LYS 40 -10.460 -1.397 -4.971 274 HA LYS 40 HA LYS 40 -12.002 -3.081 -6.758 275 1HB LYS 40 HB2 LYS 40 -11.349 -4.089 -4.710 276 2HB LYS 40 HB1 LYS 40 -11.955 -2.737 -3.754 277 1HG LYS 40 HG2 LYS 40 -14.209 -3.364 -4.080 278 2HG LYS 40 HG1 LYS 40 -13.817 -4.377 -5.468 279 1HD LYS 40 HD2 LYS 40 -12.412 -5.204 -3.036 280 2HD LYS 40 HD1 LYS 40 -14.167 -5.279 -2.871 281 1HE LYS 40 HE2 LYS 40 -12.728 -6.428 -5.267 282 2HE LYS 40 HE1 LYS 40 -13.032 -7.374 -3.810 283 1HZ LYS 40 HZ3 LYS 40 -15.439 -6.306 -4.256 284 2HZ LYS 40 HZ2 LYS 40 -14.879 -6.471 -5.851 285 3HZ LYS 40 HZ1 LYS 40 -14.961 -7.827 -4.831 286 H LEU 41 HN LEU 41 -13.272 -0.956 -4.139 287 HA LEU 41 HA LEU 41 -15.911 -0.903 -5.353 288 1HB LEU 41 HB2 LEU 41 -14.691 -0.008 -2.905 289 2HB LEU 41 HB1 LEU 41 -15.649 1.303 -3.597 290 HG LEU 41 HG LEU 41 -17.428 -0.610 -3.981 291 1HD1 LEU 41 HD13 LEU 41 -15.686 -1.672 -1.737 292 2HD1 LEU 41 HD12 LEU 41 -17.325 -2.237 -2.062 293 3HD1 LEU 41 HD11 LEU 41 -16.056 -2.474 -3.264 294 1HD2 LEU 41 HD22 LEU 41 -17.130 1.433 -2.175 295 2HD2 LEU 41 HD21 LEU 41 -18.555 0.398 -2.277 296 3HD2 LEU 41 HD23 LEU 41 -17.287 0.041 -1.103 297 H PHE 42 HN PHE 42 -13.131 1.260 -5.479 298 HA PHE 42 HA PHE 42 -14.517 3.471 -6.697 299 1HB PHE 42 HB2 PHE 42 -11.732 2.731 -6.103 300 2HB PHE 42 HB1 PHE 42 -11.914 3.698 -7.567 301 HD1 PHE 42 HD2 PHE 42 -13.604 3.612 -4.212 302 HD2 PHE 42 HD1 PHE 42 -11.593 5.971 -7.188 303 HE1 PHE 42 HE2 PHE 42 -13.941 5.643 -2.830 304 HE2 PHE 42 HE1 PHE 42 -11.931 8.003 -5.805 305 HZ PHE 42 HZ PHE 42 -13.105 7.837 -3.626 306 H LYS 43 HN LYS 43 -12.728 0.691 -8.005 307 HA LYS 43 HA LYS 43 -13.100 1.571 -10.766 308 1HB LYS 43 HB2 LYS 43 -11.173 0.150 -10.063 309 2HB LYS 43 HB1 LYS 43 -12.304 -1.160 -9.720 310 1HG LYS 43 HG2 LYS 43 -12.897 -0.183 -12.329 311 2HG LYS 43 HG1 LYS 43 -11.153 -0.435 -12.238 312 1HD LYS 43 HD2 LYS 43 -12.206 -2.661 -10.939 313 2HD LYS 43 HD1 LYS 43 -13.306 -2.408 -12.296 314 1HE LYS 43 HE2 LYS 43 -10.442 -2.118 -12.958 315 2HE LYS 43 HE1 LYS 43 -10.929 -3.746 -12.484 316 1HZ LYS 43 HZ2 LYS 43 -12.892 -2.706 -14.181 317 2HZ LYS 43 HZ1 LYS 43 -11.384 -2.442 -14.918 318 3HZ LYS 43 HZ3 LYS 43 -11.840 -4.011 -14.466 319 H LYS 44 HN LYS 44 -14.995 -0.152 -8.453 320 HA LYS 44 HA LYS 44 -16.574 -1.619 -10.433 321 1HB LYS 44 HB2 LYS 44 -16.253 -1.662 -7.611 322 2HB LYS 44 HB1 LYS 44 -17.943 -1.293 -7.930 323 1HG LYS 44 HG2 LYS 44 -17.635 -3.719 -7.830 324 2HG LYS 44 HG1 LYS 44 -18.063 -3.234 -9.473 325 1HD LYS 44 HD2 LYS 44 -15.980 -3.718 -10.309 326 2HD LYS 44 HD1 LYS 44 -15.163 -3.296 -8.804 327 1HE LYS 44 HE2 LYS 44 -15.250 -5.422 -8.043 328 2HE LYS 44 HE1 LYS 44 -16.942 -5.600 -8.508 329 1HZ LYS 44 HZ1 LYS 44 -15.226 -5.468 -10.779 330 2HZ LYS 44 HZ3 LYS 44 -14.785 -6.740 -9.749 331 3HZ LYS 44 HZ2 LYS 44 -16.369 -6.653 -10.358 332 H PHE 45 HN PHE 45 -17.196 1.153 -8.263 333 HA PHE 45 HA PHE 45 -18.870 2.382 -10.350 334 1HB PHE 45 HB2 PHE 45 -20.738 2.744 -8.610 335 2HB PHE 45 HB1 PHE 45 -20.621 1.143 -9.337 336 HD1 PHE 45 HD1 PHE 45 -20.074 3.130 -6.282 337 HD2 PHE 45 HD2 PHE 45 -19.795 -0.763 -8.066 338 HE1 PHE 45 HE1 PHE 45 -19.800 2.117 -4.034 339 HE2 PHE 45 HE2 PHE 45 -19.519 -1.776 -5.819 340 HZ PHE 45 HZ PHE 45 -19.522 -0.334 -3.802 341 H THR 46 HN THR 46 -16.390 2.841 -8.626 342 HA THR 46 HA THR 46 -15.318 4.759 -7.801 343 HB THR 46 HB THR 46 -17.922 6.203 -8.344 344 HG1 THR 46 HG1 THR 46 -17.460 5.531 -10.305 345 1HG2 THR 46 HG22 THR 46 -15.247 6.958 -7.454 346 2HG2 THR 46 HG21 THR 46 -15.753 7.847 -8.891 347 3HG2 THR 46 HG23 THR 46 -16.741 7.895 -7.431 348 H SER 47 HN SER 47 -17.605 3.055 -6.397 349 HA SER 47 HA SER 47 -18.069 2.820 -4.087 350 1HB SER 47 HB2 SER 47 -15.933 4.297 -3.839 351 2HB SER 47 HB1 SER 47 -17.072 5.614 -3.575 352 HG SER 47 HG SER 47 -16.861 4.821 -1.589 353 H LYS 48 HN LYS 48 -18.735 6.020 -5.556 354 HA LYS 48 HA LYS 48 -21.499 5.790 -4.452 355 1HB LYS 48 HB2 LYS 48 -19.621 8.144 -4.361 356 2HB LYS 48 HB1 LYS 48 -21.369 8.377 -4.309 357 1HG LYS 48 HG2 LYS 48 -21.591 7.298 -2.257 358 2HG LYS 48 HG1 LYS 48 -20.098 6.381 -2.465 359 1HD LYS 48 HD2 LYS 48 -18.760 8.385 -2.130 360 2HD LYS 48 HD1 LYS 48 -20.214 9.382 -2.064 361 1HE LYS 48 HE2 LYS 48 -20.752 8.705 0.061 362 2HE LYS 48 HE1 LYS 48 -20.086 7.088 -0.174 363 1HZ LYS 48 HZ2 LYS 48 -18.351 9.480 -0.040 364 2HZ LYS 48 HZ1 LYS 48 -18.834 8.651 1.362 365 3HZ LYS 48 HZ3 LYS 48 -17.924 7.849 0.177 366 H ALA 49 HN ALA 49 -19.622 6.070 -7.217 367 HA ALA 49 HA ALA 49 -21.407 7.852 -8.706 368 1HB ALA 49 HB2 ALA 49 -19.207 6.008 -9.687 369 2HB ALA 49 HB1 ALA 49 -20.024 7.230 -10.656 370 3HB ALA 49 HB3 ALA 49 -19.017 7.713 -9.293 371 H SER 50 HN SER 50 -20.443 4.630 -9.856 372 HA SER 50 HA SER 50 -22.888 3.271 -9.514 373 1HB SER 50 HB2 SER 50 -23.024 5.354 -11.506 374 2HB SER 50 HB1 SER 50 -23.240 3.783 -12.271 375 HG SER 50 HG SER 50 -24.774 5.077 -10.318 No H/Q in entry = 375 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 -1.348 -15.542 3.843 2 2H ALA 1 HT3 ALA 1 -1.775 -16.007 2.269 3 3H ALA 1 HT2 ALA 1 -0.154 -16.101 2.771 4 HA ALA 1 HA ALA 1 0.197 -13.864 2.617 5 1HB ALA 1 HB1 ALA 1 -0.357 -14.810 0.381 6 2HB ALA 1 HB3 ALA 1 -2.040 -14.348 0.627 7 3HB ALA 1 HB2 ALA 1 -0.792 -13.107 0.511 8 H GLU 2 HN GLU 2 -0.650 -11.644 2.727 9 HA GLU 2 HA GLU 2 -1.975 -10.007 3.760 10 1HB GLU 2 HB2 GLU 2 -3.875 -11.896 2.479 11 2HB GLU 2 HB1 GLU 2 -4.557 -10.828 3.708 12 1HG GLU 2 HG2 GLU 2 -4.746 -9.443 1.869 13 2HG GLU 2 HG1 GLU 2 -3.119 -9.004 2.394 14 H GLY 3 HN GLY 3 -4.168 -10.138 5.421 15 1HA GLY 3 HA2 GLY 3 -4.899 -11.676 7.329 16 2HA GLY 3 HA1 GLY 3 -3.174 -11.897 7.627 17 H ASP 4 HN ASP 4 -3.488 -8.776 6.614 18 HA ASP 4 HA ASP 4 -3.132 -7.738 9.320 19 1HB ASP 4 HB2 ASP 4 -2.422 -6.905 6.731 20 2HB ASP 4 HB1 ASP 4 -3.579 -5.700 7.301 21 H ASP 5 HN ASP 5 -4.466 -5.714 9.950 22 HA ASP 5 HA ASP 5 -7.116 -6.341 10.455 23 1HB ASP 5 HB2 ASP 5 -5.676 -3.730 10.150 24 2HB ASP 5 HB1 ASP 5 -7.431 -3.710 10.317 25 HA PRO 6 HA PRO 6 -9.322 -5.916 6.698 26 1HB PRO 6 HB2 PRO 6 -11.733 -4.950 7.606 27 2HB PRO 6 HB1 PRO 6 -11.205 -6.629 7.822 28 1HG PRO 6 HG2 PRO 6 -11.324 -4.427 9.843 29 2HG PRO 6 HG1 PRO 6 -11.412 -6.180 10.089 30 1HD PRO 6 HD2 PRO 6 -9.124 -4.558 10.532 31 2HD PRO 6 HD1 PRO 6 -9.149 -6.333 10.460 32 H ALA 7 HN ALA 7 -8.362 -3.224 8.455 33 HA ALA 7 HA ALA 7 -9.781 -1.108 7.147 34 1HB ALA 7 HB1 ALA 7 -7.745 -1.327 9.094 35 2HB ALA 7 HB3 ALA 7 -7.068 -0.349 7.792 36 3HB ALA 7 HB2 ALA 7 -8.569 0.143 8.575 37 H LYS 8 HN LYS 8 -6.349 -2.001 6.616 38 HA LYS 8 HA LYS 8 -6.133 -0.661 4.120 39 1HB LYS 8 HB2 LYS 8 -4.232 -1.566 5.553 40 2HB LYS 8 HB1 LYS 8 -4.599 -3.158 4.885 41 1HG LYS 8 HG2 LYS 8 -4.475 -1.828 2.580 42 2HG LYS 8 HG1 LYS 8 -3.448 -0.754 3.530 43 1HD LYS 8 HD2 LYS 8 -1.760 -2.193 3.107 44 2HD LYS 8 HD1 LYS 8 -2.559 -3.301 4.223 45 1HE LYS 8 HE2 LYS 8 -3.473 -3.178 1.366 46 2HE LYS 8 HE1 LYS 8 -2.020 -4.092 1.772 47 1HZ LYS 8 HZ1 LYS 8 -3.966 -4.720 3.661 48 2HZ LYS 8 HZ3 LYS 8 -4.707 -4.823 2.140 49 3HZ LYS 8 HZ2 LYS 8 -3.309 -5.731 2.464 50 H ALA 9 HN ALA 9 -7.075 -4.002 4.884 51 HA ALA 9 HA ALA 9 -7.118 -5.158 2.350 52 1HB ALA 9 HB2 ALA 9 -8.637 -5.518 4.849 53 2HB ALA 9 HB1 ALA 9 -9.492 -6.062 3.405 54 3HB ALA 9 HB3 ALA 9 -7.906 -6.727 3.794 55 H ALA 10 HN ALA 10 -10.272 -4.174 3.626 56 HA ALA 10 HA ALA 10 -11.494 -3.735 1.153 57 1HB ALA 10 HB1 ALA 10 -12.412 -3.589 3.647 58 2HB ALA 10 HB3 ALA 10 -12.169 -1.862 3.387 59 3HB ALA 10 HB2 ALA 10 -13.244 -2.770 2.324 60 H PHE 11 HN PHE 11 -9.303 -1.622 2.918 61 HA PHE 11 HA PHE 11 -9.785 0.832 1.703 62 1HB PHE 11 HB2 PHE 11 -7.717 -0.227 3.217 63 2HB PHE 11 HB1 PHE 11 -6.932 0.195 1.691 64 HD1 PHE 11 HD2 PHE 11 -9.351 1.567 4.198 65 HD2 PHE 11 HD1 PHE 11 -6.312 2.412 1.286 66 HE1 PHE 11 HE2 PHE 11 -9.438 3.967 4.809 67 HE2 PHE 11 HE1 PHE 11 -6.398 4.813 1.892 68 HZ PHE 11 HZ PHE 11 -7.959 5.593 3.657 69 H ASP 12 HN ASP 12 -7.633 -1.720 0.413 70 HA ASP 12 HA ASP 12 -7.283 -0.418 -2.127 71 1HB ASP 12 HB2 ASP 12 -6.789 -3.174 -1.052 72 2HB ASP 12 HB1 ASP 12 -6.753 -2.930 -2.799 73 H SER 13 HN SER 13 -9.706 -2.624 -0.835 74 HA SER 13 HA SER 13 -10.896 -3.245 -3.420 75 1HB SER 13 HB2 SER 13 -11.198 -4.706 -1.447 76 2HB SER 13 HB1 SER 13 -12.090 -3.425 -0.635 77 HG SER 13 HG SER 13 -12.956 -5.227 -2.422 78 H LEU 14 HN LEU 14 -12.624 -1.636 -0.748 79 HA LEU 14 HA LEU 14 -14.586 -0.333 -2.129 80 1HB LEU 14 HB2 LEU 14 -14.538 1.452 -0.412 81 2HB LEU 14 HB1 LEU 14 -14.334 -0.142 0.312 82 HG LEU 14 HG LEU 14 -11.739 0.521 -0.209 83 1HD1 LEU 14 HD11 LEU 14 -13.338 3.036 0.160 84 2HD1 LEU 14 HD13 LEU 14 -11.717 2.938 0.848 85 3HD1 LEU 14 HD12 LEU 14 -11.952 2.742 -0.889 86 1HD2 LEU 14 HD23 LEU 14 -12.790 -0.326 1.917 87 2HD2 LEU 14 HD22 LEU 14 -11.568 0.915 2.185 88 3HD2 LEU 14 HD21 LEU 14 -13.277 1.330 2.279 89 H GLN 15 HN GLN 15 -11.185 0.697 -2.026 90 HA GLN 15 HA GLN 15 -11.599 3.225 -3.313 91 1HB GLN 15 HB2 GLN 15 -9.330 1.561 -2.581 92 2HB GLN 15 HB1 GLN 15 -9.091 2.330 -4.147 93 1HG GLN 15 HG2 GLN 15 -9.967 3.805 -1.647 94 2HG GLN 15 HG1 GLN 15 -8.303 3.738 -2.226 95 1HE2 GLN 15 HE22 GLN 15 -9.044 6.671 -4.072 96 2HE2 GLN 15 HE21 GLN 15 -8.127 5.982 -2.820 97 H ALA 16 HN ALA 16 -10.276 0.211 -4.726 98 HA ALA 16 HA ALA 16 -10.497 0.998 -7.402 99 1HB ALA 16 HB3 ALA 16 -10.314 -1.596 -6.002 100 2HB ALA 16 HB2 ALA 16 -10.880 -1.644 -7.672 101 3HB ALA 16 HB1 ALA 16 -9.302 -0.951 -7.295 102 H SER 17 HN SER 17 -12.941 0.289 -5.258 103 HA SER 17 HA SER 17 -14.929 -0.492 -7.249 104 1HB SER 17 HB2 SER 17 -14.751 -0.783 -4.512 105 2HB SER 17 HB1 SER 17 -15.931 0.515 -4.673 106 HG SER 17 HG SER 17 -17.254 -1.070 -5.087 107 H ALA 18 HN ALA 18 -13.542 2.140 -7.624 108 HA ALA 18 HA ALA 18 -14.075 4.378 -8.081 109 1HB ALA 18 HB3 ALA 18 -15.887 2.746 -9.351 110 2HB ALA 18 HB2 ALA 18 -16.943 3.822 -8.435 111 3HB ALA 18 HB1 ALA 18 -15.778 4.491 -9.577 112 H THR 19 HN THR 19 -13.783 4.401 -5.557 113 HA THR 19 HA THR 19 -16.354 5.374 -4.349 114 HB THR 19 HB THR 19 -15.226 3.317 -3.322 115 HG1 THR 19 HG1 THR 19 -16.129 3.948 -1.537 116 1HG2 THR 19 HG21 THR 19 -12.930 4.690 -3.580 117 2HG2 THR 19 HG23 THR 19 -13.358 5.179 -1.940 118 3HG2 THR 19 HG22 THR 19 -13.162 3.470 -2.326 119 H GLU 20 HN GLU 20 -14.355 6.888 -5.962 120 HA GLU 20 HA GLU 20 -14.247 9.244 -4.423 121 1HB GLU 20 HB2 GLU 20 -12.505 7.715 -3.275 122 2HB GLU 20 HB1 GLU 20 -11.523 8.077 -4.695 123 1HG GLU 20 HG2 GLU 20 -10.860 9.852 -3.421 124 2HG GLU 20 HG1 GLU 20 -12.337 10.570 -4.064 125 H TYR 21 HN TYR 21 -12.252 7.549 -6.626 126 HA TYR 21 HA TYR 21 -12.949 8.891 -8.983 127 1HB TYR 21 HB2 TYR 21 -11.137 10.536 -9.257 128 2HB TYR 21 HB1 TYR 21 -12.116 10.942 -7.853 129 HD1 TYR 21 HD2 TYR 21 -8.872 9.644 -9.006 130 HD2 TYR 21 HD1 TYR 21 -11.263 10.649 -5.586 131 HE1 TYR 21 HE2 TYR 21 -6.861 9.524 -7.565 132 HE2 TYR 21 HE1 TYR 21 -9.252 10.531 -4.143 133 HH TYR 21 HH TYR 21 -6.963 9.297 -4.280 134 H ILE 22 HN ILE 22 -10.064 7.773 -7.171 135 HA ILE 22 HA ILE 22 -8.940 6.686 -9.619 136 HB ILE 22 HB ILE 22 -7.244 7.422 -8.149 137 1HG1 ILE 22 HG12 ILE 22 -7.247 4.590 -7.188 138 2HG1 ILE 22 HG11 ILE 22 -7.152 4.875 -8.896 139 1HG2 ILE 22 HG23 ILE 22 -8.922 6.064 -6.095 140 2HG2 ILE 22 HG22 ILE 22 -7.247 6.508 -5.779 141 3HG2 ILE 22 HG21 ILE 22 -8.429 7.746 -6.179 142 1HD1 ILE 22 HD13 ILE 22 -5.328 6.670 -8.150 143 2HD1 ILE 22 HD12 ILE 22 -5.178 5.548 -6.800 144 3HD1 ILE 22 HD11 ILE 22 -4.907 4.986 -8.448 145 H GLY 23 HN GLY 23 -11.403 5.682 -7.752 146 1HA GLY 23 HA2 GLY 23 -10.842 2.929 -7.338 147 2HA GLY 23 HA1 GLY 23 -12.452 3.580 -7.662 148 H TYR 24 HN TYR 24 -11.185 4.799 -10.204 149 HA TYR 24 HA TYR 24 -12.130 3.120 -12.130 150 1HB TYR 24 HB2 TYR 24 -11.345 4.732 -13.546 151 2HB TYR 24 HB1 TYR 24 -10.813 5.544 -12.113 152 HD1 TYR 24 HD1 TYR 24 -9.330 2.548 -13.749 153 HD2 TYR 24 HD2 TYR 24 -8.924 6.682 -12.808 154 HE1 TYR 24 HE1 TYR 24 -7.085 2.473 -14.479 155 HE2 TYR 24 HE2 TYR 24 -6.578 6.624 -13.587 156 HH TYR 24 HH TYR 24 -5.277 5.048 -15.320 157 H ALA 25 HN ALA 25 -9.221 2.543 -10.226 158 HA ALA 25 HA ALA 25 -8.810 -0.039 -10.139 159 1HB ALA 25 HB1 ALA 25 -8.644 0.474 -13.113 160 2HB ALA 25 HB3 ALA 25 -7.956 -0.964 -12.360 161 3HB ALA 25 HB2 ALA 25 -9.690 -0.663 -12.261 162 H TRP 26 HN TRP 26 -7.293 2.134 -9.350 163 HA TRP 26 HA TRP 26 -4.573 1.203 -9.953 164 1HB TRP 26 HB2 TRP 26 -3.897 3.631 -10.359 165 2HB TRP 26 HB1 TRP 26 -4.678 2.782 -11.677 166 HD1 TRP 26 HD1 TRP 26 -7.632 3.082 -10.966 167 HE1 TRP 26 HE1 TRP 26 -8.848 5.284 -10.975 168 HE3 TRP 26 HE3 TRP 26 -3.709 6.158 -10.359 169 HZ2 TRP 26 HZ2 TRP 26 -8.260 8.022 -10.851 170 HZ3 TRP 26 HZ3 TRP 26 -4.030 8.617 -10.320 171 HH2 TRP 26 HH2 TRP 26 -6.318 9.559 -10.549 172 H ALA 27 HN ALA 27 -6.602 1.803 -7.720 173 HA ALA 27 HA ALA 27 -5.335 3.807 -6.175 174 1HB ALA 27 HB1 ALA 27 -7.522 1.848 -5.768 175 2HB ALA 27 HB3 ALA 27 -6.688 2.376 -4.306 176 3HB ALA 27 HB2 ALA 27 -7.460 3.563 -5.358 177 H MET 28 HN MET 28 -5.237 0.278 -6.211 178 HA MET 28 HA MET 28 -3.608 -0.164 -4.018 179 1HB MET 28 HB2 MET 28 -4.622 -1.684 -6.211 180 2HB MET 28 HB1 MET 28 -2.912 -2.061 -5.997 181 1HG MET 28 HG2 MET 28 -3.612 -2.138 -3.429 182 2HG MET 28 HG1 MET 28 -5.197 -2.492 -4.118 183 1HE MET 28 HE3 MET 28 -3.037 -3.898 -2.295 184 2HE MET 28 HE2 MET 28 -4.402 -4.997 -2.465 185 3HE MET 28 HE1 MET 28 -2.771 -5.574 -2.799 186 H VAL 29 HN VAL 29 -2.804 0.995 -7.202 187 HA VAL 29 HA VAL 29 -0.062 0.350 -7.332 188 HB VAL 29 HB VAL 29 -1.548 2.809 -8.287 189 1HG1 VAL 29 HG12 VAL 29 1.326 1.949 -8.655 190 2HG1 VAL 29 HG11 VAL 29 0.517 3.007 -9.810 191 3HG1 VAL 29 HG13 VAL 29 0.715 3.520 -8.135 192 1HG2 VAL 29 HG21 VAL 29 -1.233 0.084 -9.214 193 2HG2 VAL 29 HG23 VAL 29 -2.241 1.369 -9.879 194 3HG2 VAL 29 HG22 VAL 29 -0.562 1.210 -10.394 195 H VAL 30 HN VAL 30 -1.629 3.133 -5.744 196 HA VAL 30 HA VAL 30 0.891 4.221 -4.796 197 HB VAL 30 HB VAL 30 -1.896 4.766 -3.737 198 1HG1 VAL 30 HG13 VAL 30 0.770 5.791 -3.179 199 2HG1 VAL 30 HG12 VAL 30 -0.309 7.072 -3.729 200 3HG1 VAL 30 HG11 VAL 30 -0.743 6.096 -2.326 201 1HG2 VAL 30 HG23 VAL 30 -1.568 5.018 -6.272 202 2HG2 VAL 30 HG22 VAL 30 -2.122 6.454 -5.412 203 3HG2 VAL 30 HG21 VAL 30 -0.430 6.310 -5.889 204 H VAL 31 HN VAL 31 -1.741 2.329 -3.281 205 HA VAL 31 HA VAL 31 -0.797 2.260 -0.638 206 HB VAL 31 HB VAL 31 -2.117 0.108 -2.309 207 1HG1 VAL 31 HG13 VAL 31 -1.228 0.081 0.571 208 2HG1 VAL 31 HG12 VAL 31 -2.639 -0.844 0.057 209 3HG1 VAL 31 HG11 VAL 31 -1.059 -1.183 -0.648 210 1HG2 VAL 31 HG22 VAL 31 -2.976 2.420 -0.756 211 2HG2 VAL 31 HG21 VAL 31 -3.904 1.423 -1.876 212 3HG2 VAL 31 HG23 VAL 31 -3.745 0.938 -0.188 213 H ILE 32 HN ILE 32 0.083 -0.073 -3.212 214 HA ILE 32 HA ILE 32 2.018 -1.459 -1.696 215 HB ILE 32 HB ILE 32 1.215 -2.344 -3.727 216 1HG1 ILE 32 HG12 ILE 32 3.328 -2.963 -4.826 217 2HG1 ILE 32 HG11 ILE 32 4.121 -1.624 -3.994 218 1HG2 ILE 32 HG22 ILE 32 1.151 0.098 -4.743 219 2HG2 ILE 32 HG21 ILE 32 2.702 -0.412 -5.407 220 3HG2 ILE 32 HG23 ILE 32 1.239 -1.319 -5.787 221 1HD1 ILE 32 HD12 ILE 32 2.675 -3.847 -2.533 222 2HD1 ILE 32 HD11 ILE 32 4.403 -3.890 -2.883 223 3HD1 ILE 32 HD13 ILE 32 3.745 -2.627 -1.844 224 H VAL 33 HN VAL 33 2.508 1.212 -4.051 225 HA VAL 33 HA VAL 33 5.275 1.403 -3.819 226 HB VAL 33 HB VAL 33 3.239 3.664 -3.907 227 1HG1 VAL 33 HG12 VAL 33 5.818 4.016 -3.152 228 2HG1 VAL 33 HG11 VAL 33 6.008 4.067 -4.903 229 3HG1 VAL 33 HG13 VAL 33 4.924 5.203 -4.100 230 1HG2 VAL 33 HG22 VAL 33 3.399 1.931 -5.802 231 2HG2 VAL 33 HG21 VAL 33 3.565 3.624 -6.266 232 3HG2 VAL 33 HG23 VAL 33 4.997 2.604 -6.128 233 H GLY 34 HN GLY 34 2.847 2.028 -1.425 234 1HA GLY 34 HA2 GLY 34 4.568 3.511 0.390 235 2HA GLY 34 HA1 GLY 34 3.092 2.642 0.843 236 H ALA 35 HN ALA 35 3.527 0.118 0.125 237 HA ALA 35 HA ALA 35 5.311 -0.897 2.132 238 1HB ALA 35 HB2 ALA 35 3.575 -2.023 0.016 239 2HB ALA 35 HB1 ALA 35 4.924 -3.044 0.515 240 3HB ALA 35 HB3 ALA 35 3.746 -2.496 1.707 241 H THR 36 HN THR 36 5.694 -0.848 -1.509 242 HA THR 36 HA THR 36 8.244 -2.128 -1.487 243 HB THR 36 HB THR 36 7.166 -0.079 -3.445 244 HG1 THR 36 HG1 THR 36 6.145 -2.308 -2.894 245 1HG2 THR 36 HG22 THR 36 9.503 -1.976 -3.484 246 2HG2 THR 36 HG21 THR 36 8.741 -1.442 -4.982 247 3HG2 THR 36 HG23 THR 36 9.468 -0.261 -3.894 248 H ILE 37 HN ILE 37 7.685 1.351 -2.086 249 HA ILE 37 HA ILE 37 10.397 2.116 -1.591 250 HB ILE 37 HB ILE 37 7.795 3.638 -1.500 251 1HG1 ILE 37 HG12 ILE 37 8.940 4.639 -3.608 252 2HG1 ILE 37 HG11 ILE 37 10.025 3.253 -3.505 253 1HG2 ILE 37 HG23 ILE 37 10.519 4.437 -0.689 254 2HG2 ILE 37 HG22 ILE 37 9.769 5.523 -1.860 255 3HG2 ILE 37 HG21 ILE 37 8.970 5.196 -0.322 256 1HD1 ILE 37 HD11 ILE 37 7.119 2.666 -3.300 257 2HD1 ILE 37 HD13 ILE 37 7.705 3.183 -4.879 258 3HD1 ILE 37 HD12 ILE 37 8.396 1.758 -4.105 259 H GLY 38 HN GLY 38 7.899 1.246 0.538 260 1HA GLY 38 HA2 GLY 38 8.752 2.808 2.834 261 2HA GLY 38 HA1 GLY 38 7.631 1.446 2.876 262 H ILE 39 HN ILE 39 8.679 -0.738 2.524 263 HA ILE 39 HA ILE 39 10.798 -1.119 4.404 264 HB ILE 39 HB ILE 39 9.083 -2.856 3.682 265 1HG1 ILE 39 HG12 ILE 39 11.793 -4.038 3.238 266 2HG1 ILE 39 HG11 ILE 39 11.514 -3.188 4.758 267 1HG2 ILE 39 HG22 ILE 39 9.811 -2.248 1.166 268 2HG2 ILE 39 HG21 ILE 39 10.908 -3.600 1.447 269 3HG2 ILE 39 HG23 ILE 39 9.167 -3.831 1.601 270 1HD1 ILE 39 HD12 ILE 39 9.354 -4.593 4.932 271 2HD1 ILE 39 HD11 ILE 39 10.066 -5.602 3.673 272 3HD1 ILE 39 HD13 ILE 39 10.883 -5.421 5.225 273 H LYS 40 HN LYS 40 10.784 0.012 1.184 274 HA LYS 40 HA LYS 40 13.336 -1.109 0.343 275 1HB LYS 40 HB2 LYS 40 11.886 -0.304 -1.380 276 2HB LYS 40 HB1 LYS 40 11.700 1.260 -0.588 277 1HG LYS 40 HG2 LYS 40 14.502 0.620 -1.102 278 2HG LYS 40 HG1 LYS 40 13.545 0.652 -2.583 279 1HD LYS 40 HD2 LYS 40 12.706 2.885 -2.036 280 2HD LYS 40 HD1 LYS 40 13.573 2.856 -0.500 281 1HE LYS 40 HE2 LYS 40 15.347 2.242 -2.723 282 2HE LYS 40 HE1 LYS 40 14.560 3.805 -2.943 283 1HZ LYS 40 HZ3 LYS 40 15.833 3.019 -0.390 284 2HZ LYS 40 HZ2 LYS 40 16.697 3.795 -1.631 285 3HZ LYS 40 HZ1 LYS 40 15.374 4.570 -0.897 286 H LEU 41 HN LEU 41 12.473 2.232 1.336 287 HA LEU 41 HA LEU 41 15.256 2.969 1.707 288 1HB LEU 41 HB2 LEU 41 12.912 4.369 1.385 289 2HB LEU 41 HB1 LEU 41 13.233 4.592 3.105 290 HG LEU 41 HG LEU 41 15.427 4.976 1.080 291 1HD1 LEU 41 HD13 LEU 41 13.100 6.748 1.673 292 2HD1 LEU 41 HD12 LEU 41 14.684 7.512 1.536 293 3HD1 LEU 41 HD11 LEU 41 14.034 6.581 0.186 294 1HD2 LEU 41 HD23 LEU 41 15.136 5.170 3.921 295 2HD2 LEU 41 HD22 LEU 41 16.574 5.486 2.951 296 3HD2 LEU 41 HD21 LEU 41 15.436 6.790 3.292 297 H PHE 42 HN PHE 42 12.763 1.625 3.755 298 HA PHE 42 HA PHE 42 14.036 2.308 6.271 299 1HB PHE 42 HB2 PHE 42 11.677 0.828 5.380 300 2HB PHE 42 HB1 PHE 42 12.481 0.051 6.745 301 HD1 PHE 42 HD2 PHE 42 12.882 1.325 8.855 302 HD2 PHE 42 HD1 PHE 42 10.545 2.934 5.628 303 HE1 PHE 42 HE2 PHE 42 11.937 3.031 10.390 304 HE2 PHE 42 HE1 PHE 42 9.601 4.640 7.161 305 HZ PHE 42 HZ PHE 42 10.296 4.688 9.542 306 H LYS 43 HN LYS 43 13.752 -0.789 4.494 307 HA LYS 43 HA LYS 43 15.613 -2.174 6.187 308 1HB LYS 43 HB2 LYS 43 13.873 -2.992 4.300 309 2HB LYS 43 HB1 LYS 43 15.356 -3.013 3.344 310 1HG LYS 43 HG2 LYS 43 16.318 -4.684 4.611 311 2HG LYS 43 HG1 LYS 43 15.455 -4.212 6.076 312 1HD LYS 43 HD2 LYS 43 14.561 -6.333 5.276 313 2HD LYS 43 HD1 LYS 43 13.344 -5.075 5.062 314 1HE LYS 43 HE2 LYS 43 13.671 -4.971 2.739 315 2HE LYS 43 HE1 LYS 43 15.262 -5.728 2.836 316 1HZ LYS 43 HZ3 LYS 43 14.191 -7.790 3.515 317 2HZ LYS 43 HZ2 LYS 43 12.663 -7.058 3.385 318 3HZ LYS 43 HZ1 LYS 43 13.624 -7.279 2.001 319 H LYS 44 HN LYS 44 16.028 -0.009 3.490 320 HA LYS 44 HA LYS 44 18.693 -0.834 2.751 321 1HB LYS 44 HB2 LYS 44 17.209 0.606 1.335 322 2HB LYS 44 HB1 LYS 44 17.437 1.915 2.496 323 1HG LYS 44 HG2 LYS 44 19.896 1.781 2.118 324 2HG LYS 44 HG1 LYS 44 19.615 0.548 0.888 325 1HD LYS 44 HD2 LYS 44 17.926 2.880 0.459 326 2HD LYS 44 HD1 LYS 44 19.635 3.316 0.482 327 1HE LYS 44 HE2 LYS 44 19.911 1.214 -1.065 328 2HE LYS 44 HE1 LYS 44 18.189 1.440 -1.365 329 1HZ LYS 44 HZ1 LYS 44 19.585 3.909 -1.495 330 2HZ LYS 44 HZ3 LYS 44 20.263 2.786 -2.567 331 3HZ LYS 44 HZ2 LYS 44 18.610 3.163 -2.669 332 H PHE 45 HN PHE 45 17.400 0.892 5.416 333 HA PHE 45 HA PHE 45 19.469 2.651 6.133 334 1HB PHE 45 HB2 PHE 45 17.159 1.754 7.337 335 2HB PHE 45 HB1 PHE 45 18.411 1.109 8.400 336 HD1 PHE 45 HD1 PHE 45 17.043 4.201 6.881 337 HD2 PHE 45 HD2 PHE 45 19.789 2.550 9.743 338 HE1 PHE 45 HE1 PHE 45 17.388 6.458 7.852 339 HE2 PHE 45 HE2 PHE 45 20.134 4.805 10.714 340 HZ PHE 45 HZ PHE 45 18.934 6.760 9.769 341 H THR 46 HN THR 46 19.433 -0.847 6.241 342 HA THR 46 HA THR 46 22.099 -1.298 6.255 343 HB THR 46 HB THR 46 22.560 -0.094 8.243 344 HG1 THR 46 HG1 THR 46 23.340 -2.296 8.222 345 1HG2 THR 46 HG21 THR 46 19.855 -0.946 8.906 346 2HG2 THR 46 HG23 THR 46 20.957 -1.142 10.269 347 3HG2 THR 46 HG22 THR 46 20.769 0.437 9.507 348 H SER 47 HN SER 47 19.818 -2.624 5.397 349 HA SER 47 HA SER 47 18.684 -4.696 5.476 350 1HB SER 47 HB2 SER 47 21.275 -5.074 4.963 351 2HB SER 47 HB1 SER 47 21.207 -5.926 6.502 352 HG SER 47 HG SER 47 20.644 -7.027 4.347 353 H LYS 48 HN LYS 48 18.684 -3.133 8.026 354 HA LYS 48 HA LYS 48 18.014 -5.420 9.806 355 1HB LYS 48 HB2 LYS 48 19.962 -3.200 10.377 356 2HB LYS 48 HB1 LYS 48 19.031 -3.910 11.697 357 1HG LYS 48 HG2 LYS 48 20.193 -5.915 9.897 358 2HG LYS 48 HG1 LYS 48 21.404 -4.920 10.708 359 1HD LYS 48 HD2 LYS 48 20.775 -5.634 12.827 360 2HD LYS 48 HD1 LYS 48 19.128 -6.014 12.321 361 1HE LYS 48 HE2 LYS 48 19.927 -7.965 11.078 362 2HE LYS 48 HE1 LYS 48 21.596 -7.567 11.485 363 1HZ LYS 48 HZ1 LYS 48 19.599 -7.932 13.617 364 2HZ LYS 48 HZ3 LYS 48 20.330 -9.285 12.904 365 3HZ LYS 48 HZ2 LYS 48 21.286 -8.118 13.686 366 H ALA 49 HN ALA 49 17.933 -1.871 9.408 367 HA ALA 49 HA ALA 49 15.986 -1.146 11.229 368 1HB ALA 49 HB2 ALA 49 16.601 -0.226 8.448 369 2HB ALA 49 HB1 ALA 49 15.146 0.389 9.233 370 3HB ALA 49 HB3 ALA 49 16.725 0.655 9.971 371 H SER 50 HN SER 50 14.947 -1.637 7.854 372 HA SER 50 HA SER 50 12.956 -2.551 7.014 373 1HB SER 50 HB2 SER 50 14.166 -4.475 8.609 374 2HB SER 50 HB1 SER 50 12.515 -4.427 9.216 375 HG SER 50 HG SER 50 11.784 -5.077 7.308 No H/Q in entry = 375 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 -12.331 -16.698 9.136 2 2H ALA 1 HT3 ALA 1 -13.657 -15.781 8.610 3 3H ALA 1 HT2 ALA 1 -13.318 -17.278 7.880 4 HA ALA 1 HA ALA 1 -11.587 -16.478 6.654 5 1HB ALA 1 HB2 ALA 1 -13.667 -15.300 5.992 6 2HB ALA 1 HB1 ALA 1 -13.288 -14.012 7.136 7 3HB ALA 1 HB3 ALA 1 -12.243 -14.289 5.743 8 H GLU 2 HN GLU 2 -10.137 -16.647 8.760 9 HA GLU 2 HA GLU 2 -9.315 -14.022 9.810 10 1HB GLU 2 HB2 GLU 2 -9.280 -16.591 10.839 11 2HB GLU 2 HB1 GLU 2 -7.589 -16.313 10.424 12 1HG GLU 2 HG2 GLU 2 -9.187 -14.243 11.926 13 2HG GLU 2 HG1 GLU 2 -8.376 -15.563 12.769 14 H GLY 3 HN GLY 3 -8.867 -13.712 7.240 15 1HA GLY 3 HA2 GLY 3 -6.025 -14.483 6.729 16 2HA GLY 3 HA1 GLY 3 -7.184 -14.053 5.472 17 H ASP 4 HN ASP 4 -8.161 -11.729 5.879 18 HA ASP 4 HA ASP 4 -5.830 -9.935 6.384 19 1HB ASP 4 HB2 ASP 4 -7.402 -8.272 5.122 20 2HB ASP 4 HB1 ASP 4 -6.571 -9.522 4.194 21 H ASP 5 HN ASP 5 -5.949 -8.464 8.037 22 HA ASP 5 HA ASP 5 -7.927 -8.662 10.060 23 1HB ASP 5 HB2 ASP 5 -5.627 -6.955 9.476 24 2HB ASP 5 HB1 ASP 5 -6.926 -6.069 10.277 25 HA PRO 6 HA PRO 6 -11.196 -6.126 8.621 26 1HB PRO 6 HB2 PRO 6 -12.031 -4.927 10.949 27 2HB PRO 6 HB1 PRO 6 -12.324 -6.633 10.565 28 1HG PRO 6 HG2 PRO 6 -10.366 -5.459 12.492 29 2HG PRO 6 HG1 PRO 6 -11.118 -7.064 12.498 30 1HD PRO 6 HD2 PRO 6 -8.477 -6.457 11.629 31 2HD PRO 6 HD1 PRO 6 -9.341 -7.989 11.371 32 H ALA 7 HN ALA 7 -9.284 -4.752 7.601 33 HA ALA 7 HA ALA 7 -9.910 -1.975 7.974 34 1HB ALA 7 HB1 ALA 7 -7.265 -2.947 9.098 35 2HB ALA 7 HB3 ALA 7 -7.644 -1.253 8.780 36 3HB ALA 7 HB2 ALA 7 -8.562 -2.152 9.991 37 H LYS 8 HN LYS 8 -7.532 -4.360 6.856 38 HA LYS 8 HA LYS 8 -6.523 -2.649 4.733 39 1HB LYS 8 HB2 LYS 8 -5.377 -4.709 5.838 40 2HB LYS 8 HB1 LYS 8 -6.358 -5.658 4.720 41 1HG LYS 8 HG2 LYS 8 -5.332 -3.673 3.090 42 2HG LYS 8 HG1 LYS 8 -3.990 -4.013 4.181 43 1HD LYS 8 HD2 LYS 8 -3.882 -5.485 2.216 44 2HD LYS 8 HD1 LYS 8 -4.201 -6.428 3.672 45 1HE LYS 8 HE2 LYS 8 -6.743 -5.754 2.834 46 2HE LYS 8 HE1 LYS 8 -5.895 -6.012 1.310 47 1HZ LYS 8 HZ1 LYS 8 -5.505 -7.950 3.472 48 2HZ LYS 8 HZ3 LYS 8 -6.964 -7.996 2.609 49 3HZ LYS 8 HZ2 LYS 8 -5.488 -8.187 1.789 50 H ALA 9 HN ALA 9 -8.678 -5.504 4.802 51 HA ALA 9 HA ALA 9 -9.334 -5.677 2.104 52 1HB ALA 9 HB3 ALA 9 -10.989 -6.087 4.591 53 2HB ALA 9 HB2 ALA 9 -11.694 -6.315 2.991 54 3HB ALA 9 HB1 ALA 9 -10.323 -7.301 3.500 55 H ALA 10 HN ALA 10 -10.832 -3.501 4.526 56 HA ALA 10 HA ALA 10 -12.588 -2.241 2.625 57 1HB ALA 10 HB3 ALA 10 -11.855 -1.870 5.420 58 2HB ALA 10 HB2 ALA 10 -12.074 -0.333 4.584 59 3HB ALA 10 HB1 ALA 10 -13.379 -1.519 4.608 60 H PHE 11 HN PHE 11 -9.312 -1.480 3.794 61 HA PHE 11 HA PHE 11 -8.930 1.041 2.699 62 1HB PHE 11 HB2 PHE 11 -7.247 -0.948 3.659 63 2HB PHE 11 HB1 PHE 11 -6.724 -0.746 1.986 64 HD1 PHE 11 HD2 PHE 11 -6.596 1.804 1.182 65 HD2 PHE 11 HD1 PHE 11 -6.337 0.483 5.261 66 HE1 PHE 11 HE2 PHE 11 -5.453 3.917 1.793 67 HE2 PHE 11 HE1 PHE 11 -5.193 2.597 5.871 68 HZ PHE 11 HZ PHE 11 -4.751 4.314 4.138 69 H ASP 12 HN ASP 12 -8.567 -2.058 0.949 70 HA ASP 12 HA ASP 12 -8.173 -0.823 -1.615 71 1HB ASP 12 HB2 ASP 12 -7.669 -3.248 -0.938 72 2HB ASP 12 HB1 ASP 12 -9.391 -3.554 -1.165 73 H SER 13 HN SER 13 -11.054 -1.781 0.195 74 HA SER 13 HA SER 13 -12.856 -1.369 -2.068 75 1HB SER 13 HB2 SER 13 -13.055 -2.584 0.438 76 2HB SER 13 HB1 SER 13 -14.123 -1.188 0.546 77 HG SER 13 HG SER 13 -14.996 -3.226 -0.379 78 H LEU 14 HN LEU 14 -13.010 0.292 1.104 79 HA LEU 14 HA LEU 14 -14.438 2.514 0.424 80 1HB LEU 14 HB2 LEU 14 -13.304 3.742 2.184 81 2HB LEU 14 HB1 LEU 14 -13.458 2.059 2.684 82 HG LEU 14 HG LEU 14 -11.098 1.783 1.588 83 1HD1 LEU 14 HD13 LEU 14 -11.574 4.563 1.206 84 2HD1 LEU 14 HD12 LEU 14 -10.299 4.414 2.416 85 3HD1 LEU 14 HD11 LEU 14 -10.107 3.658 0.834 86 1HD2 LEU 14 HD21 LEU 14 -11.979 2.091 4.155 87 2HD2 LEU 14 HD23 LEU 14 -10.297 1.781 3.728 88 3HD2 LEU 14 HD22 LEU 14 -10.839 3.430 4.036 89 H GLN 15 HN GLN 15 -10.989 2.025 -0.376 90 HA GLN 15 HA GLN 15 -10.709 4.698 -1.485 91 1HB GLN 15 HB2 GLN 15 -8.988 2.449 -1.072 92 2HB GLN 15 HB1 GLN 15 -8.854 2.951 -2.748 93 1HG GLN 15 HG2 GLN 15 -8.866 5.109 -0.694 94 2HG GLN 15 HG1 GLN 15 -7.419 4.105 -0.787 95 1HE2 GLN 15 HE22 GLN 15 -6.710 6.750 -3.223 96 2HE2 GLN 15 HE21 GLN 15 -6.702 6.508 -1.538 97 H ALA 16 HN ALA 16 -11.106 1.465 -2.978 98 HA ALA 16 HA ALA 16 -11.260 2.298 -5.646 99 1HB ALA 16 HB1 ALA 16 -11.344 -0.101 -4.525 100 2HB ALA 16 HB3 ALA 16 -13.074 0.118 -4.782 101 3HB ALA 16 HB2 ALA 16 -11.966 0.168 -6.153 102 H SER 17 HN SER 17 -13.412 3.008 -3.219 103 HA SER 17 HA SER 17 -15.782 3.250 -4.912 104 1HB SER 17 HB2 SER 17 -15.577 2.909 -2.277 105 2HB SER 17 HB1 SER 17 -15.576 4.671 -2.284 106 HG SER 17 HG SER 17 -17.638 3.037 -2.523 107 H ALA 18 HN ALA 18 -13.595 4.715 -6.023 108 HA ALA 18 HA ALA 18 -12.919 6.883 -6.664 109 1HB ALA 18 HB2 ALA 18 -15.199 6.505 -7.750 110 2HB ALA 18 HB1 ALA 18 -15.879 7.467 -6.439 111 3HB ALA 18 HB3 ALA 18 -14.716 8.190 -7.550 112 H THR 19 HN THR 19 -12.310 6.731 -4.105 113 HA THR 19 HA THR 19 -13.684 8.970 -2.706 114 HB THR 19 HB THR 19 -13.298 6.701 -1.589 115 HG1 THR 19 HG1 THR 19 -13.323 9.083 -0.654 116 1HG2 THR 19 HG22 THR 19 -10.468 7.775 -1.571 117 2HG2 THR 19 HG21 THR 19 -11.027 6.402 -0.621 118 3HG2 THR 19 HG23 THR 19 -11.023 6.312 -2.381 119 H GLU 20 HN GLU 20 -10.413 7.947 -3.749 120 HA GLU 20 HA GLU 20 -9.597 10.799 -3.360 121 1HB GLU 20 HB2 GLU 20 -7.886 8.379 -2.837 122 2HB GLU 20 HB1 GLU 20 -7.410 10.063 -2.638 123 1HG GLU 20 HG2 GLU 20 -9.847 9.688 -1.210 124 2HG GLU 20 HG1 GLU 20 -8.759 8.375 -0.757 125 H TYR 21 HN TYR 21 -10.315 10.518 -5.728 126 HA TYR 21 HA TYR 21 -9.796 10.500 -8.016 127 1HB TYR 21 HB2 TYR 21 -7.651 11.430 -8.601 128 2HB TYR 21 HB1 TYR 21 -8.135 12.184 -7.083 129 HD1 TYR 21 HD2 TYR 21 -6.175 9.261 -8.401 130 HD2 TYR 21 HD1 TYR 21 -6.693 12.118 -5.239 131 HE1 TYR 21 HE2 TYR 21 -4.160 8.378 -7.289 132 HE2 TYR 21 HE1 TYR 21 -4.667 11.235 -4.132 133 HH TYR 21 HH TYR 21 -2.993 9.795 -4.224 134 H ILE 22 HN ILE 22 -8.761 7.918 -6.144 135 HA ILE 22 HA ILE 22 -7.837 6.567 -8.597 136 HB ILE 22 HB ILE 22 -5.775 6.732 -7.520 137 1HG1 ILE 22 HG12 ILE 22 -6.641 4.335 -5.948 138 2HG1 ILE 22 HG11 ILE 22 -6.665 4.260 -7.683 139 1HG2 ILE 22 HG22 ILE 22 -7.461 6.735 -5.108 140 2HG2 ILE 22 HG21 ILE 22 -5.794 6.183 -4.958 141 3HG2 ILE 22 HG23 ILE 22 -6.134 7.796 -5.569 142 1HD1 ILE 22 HD11 ILE 22 -4.244 5.442 -7.271 143 2HD1 ILE 22 HD13 ILE 22 -4.357 4.359 -5.887 144 3HD1 ILE 22 HD12 ILE 22 -4.473 3.717 -7.520 145 H GLY 23 HN GLY 23 -10.203 6.723 -6.424 146 1HA GLY 23 HA2 GLY 23 -10.577 4.024 -5.634 147 2HA GLY 23 HA1 GLY 23 -11.881 5.183 -5.915 148 H TYR 24 HN TYR 24 -10.606 5.634 -8.664 149 HA TYR 24 HA TYR 24 -12.267 4.281 -10.322 150 1HB TYR 24 HB2 TYR 24 -11.084 5.403 -11.924 151 2HB TYR 24 HB1 TYR 24 -10.120 6.013 -10.621 152 HD1 TYR 24 HD1 TYR 24 -10.096 2.596 -12.058 153 HD2 TYR 24 HD2 TYR 24 -8.022 6.290 -11.612 154 HE1 TYR 24 HE1 TYR 24 -8.172 1.595 -12.989 155 HE2 TYR 24 HE2 TYR 24 -6.000 5.258 -12.604 156 HH TYR 24 HH TYR 24 -5.618 3.214 -14.246 157 H ALA 25 HN ALA 25 -9.596 2.814 -8.539 158 HA ALA 25 HA ALA 25 -10.136 0.282 -8.180 159 1HB ALA 25 HB2 ALA 25 -10.082 0.374 -11.209 160 2HB ALA 25 HB1 ALA 25 -10.046 -1.117 -10.269 161 3HB ALA 25 HB3 ALA 25 -11.452 -0.056 -10.184 162 H TRP 26 HN TRP 26 -7.893 1.663 -7.671 163 HA TRP 26 HA TRP 26 -5.767 -0.194 -8.360 164 1HB TRP 26 HB2 TRP 26 -4.344 1.675 -9.278 165 2HB TRP 26 HB1 TRP 26 -5.606 1.081 -10.335 166 HD1 TRP 26 HD1 TRP 26 -8.044 2.612 -9.477 167 HE1 TRP 26 HE1 TRP 26 -8.315 5.104 -9.659 168 HE3 TRP 26 HE3 TRP 26 -3.198 3.916 -9.561 169 HZ2 TRP 26 HZ2 TRP 26 -6.703 7.387 -9.914 170 HZ3 TRP 26 HZ3 TRP 26 -2.542 6.297 -9.795 171 HH2 TRP 26 HH2 TRP 26 -4.301 8.045 -9.956 172 H ALA 27 HN ALA 27 -7.129 1.238 -6.084 173 HA ALA 27 HA ALA 27 -5.258 3.037 -4.996 174 1HB ALA 27 HB1 ALA 27 -7.719 2.646 -4.294 175 2HB ALA 27 HB3 ALA 27 -7.085 1.322 -3.316 176 3HB ALA 27 HB2 ALA 27 -6.553 2.977 -3.014 177 H MET 28 HN MET 28 -5.795 -0.420 -4.571 178 HA MET 28 HA MET 28 -3.862 -0.908 -2.633 179 1HB MET 28 HB2 MET 28 -3.861 -3.255 -3.576 180 2HB MET 28 HB1 MET 28 -5.449 -2.625 -3.137 181 1HG MET 28 HG2 MET 28 -5.973 -2.111 -5.419 182 2HG MET 28 HG1 MET 28 -4.312 -2.406 -5.931 183 1HE MET 28 HE1 MET 28 -5.490 -3.523 -7.732 184 2HE MET 28 HE3 MET 28 -5.960 -5.230 -7.739 185 3HE MET 28 HE2 MET 28 -7.108 -3.998 -7.224 186 H VAL 29 HN VAL 29 -3.560 -0.373 -6.061 187 HA VAL 29 HA VAL 29 -1.009 -1.537 -6.513 188 HB VAL 29 HB VAL 29 -2.255 0.925 -7.768 189 1HG1 VAL 29 HG13 VAL 29 0.308 0.534 -7.973 190 2HG1 VAL 29 HG12 VAL 29 -0.135 -0.829 -8.999 191 3HG1 VAL 29 HG11 VAL 29 -0.612 0.807 -9.452 192 1HG2 VAL 29 HG21 VAL 29 -3.472 -1.323 -7.915 193 2HG2 VAL 29 HG23 VAL 29 -3.075 -0.559 -9.455 194 3HG2 VAL 29 HG22 VAL 29 -2.094 -1.897 -8.854 195 H VAL 30 HN VAL 30 -1.780 1.873 -5.723 196 HA VAL 30 HA VAL 30 0.984 2.612 -5.381 197 HB VAL 30 HB VAL 30 0.028 4.647 -4.278 198 1HG1 VAL 30 HG12 VAL 30 -0.523 3.640 -6.960 199 2HG1 VAL 30 HG11 VAL 30 -1.727 4.821 -6.443 200 3HG1 VAL 30 HG13 VAL 30 -0.016 5.252 -6.453 201 1HG2 VAL 30 HG23 VAL 30 -1.976 3.109 -3.439 202 2HG2 VAL 30 HG22 VAL 30 -2.225 4.825 -3.749 203 3HG2 VAL 30 HG21 VAL 30 -2.709 3.634 -4.954 204 H VAL 31 HN VAL 31 -1.455 1.297 -3.217 205 HA VAL 31 HA VAL 31 -0.240 1.924 -0.730 206 HB VAL 31 HB VAL 31 -1.868 -0.488 -1.577 207 1HG1 VAL 31 HG11 VAL 31 -0.884 0.413 1.138 208 2HG1 VAL 31 HG13 VAL 31 -2.263 -0.668 0.939 209 3HG1 VAL 31 HG12 VAL 31 -0.665 -1.163 0.377 210 1HG2 VAL 31 HG22 VAL 31 -2.493 2.252 -1.043 211 2HG2 VAL 31 HG21 VAL 31 -3.608 0.934 -1.402 212 3HG2 VAL 31 HG23 VAL 31 -3.159 1.279 0.268 213 H ILE 32 HN ILE 32 -0.017 -1.232 -2.430 214 HA ILE 32 HA ILE 32 2.110 -2.210 -0.868 215 HB ILE 32 HB ILE 32 0.925 -3.687 -2.214 216 1HG1 ILE 32 HG12 ILE 32 3.484 -3.559 -3.742 217 2HG1 ILE 32 HG11 ILE 32 3.516 -3.903 -2.013 218 1HG2 ILE 32 HG22 ILE 32 0.751 -1.685 -4.048 219 2HG2 ILE 32 HG21 ILE 32 1.868 -2.800 -4.832 220 3HG2 ILE 32 HG23 ILE 32 0.264 -3.351 -4.351 221 1HD1 ILE 32 HD11 ILE 32 1.739 -5.439 -3.913 222 2HD1 ILE 32 HD13 ILE 32 3.398 -5.934 -3.579 223 3HD1 ILE 32 HD12 ILE 32 2.216 -5.878 -2.272 224 H VAL 33 HN VAL 33 2.360 -0.767 -4.156 225 HA VAL 33 HA VAL 33 5.143 -0.809 -4.288 226 HB VAL 33 HB VAL 33 3.305 1.441 -5.191 227 1HG1 VAL 33 HG13 VAL 33 5.856 1.865 -5.020 228 2HG1 VAL 33 HG12 VAL 33 5.994 0.726 -6.360 229 3HG1 VAL 33 HG11 VAL 33 5.070 2.215 -6.560 230 1HG2 VAL 33 HG21 VAL 33 2.902 -0.957 -6.037 231 2HG2 VAL 33 HG23 VAL 33 3.143 0.284 -7.267 232 3HG2 VAL 33 HG22 VAL 33 4.461 -0.810 -6.848 233 H GLY 34 HN GLY 34 3.108 1.029 -2.189 234 1HA GLY 34 HA2 GLY 34 5.092 3.025 -1.476 235 2HA GLY 34 HA1 GLY 34 3.693 2.564 -0.490 236 H ALA 35 HN ALA 35 4.020 -0.062 -0.068 237 HA ALA 35 HA ALA 35 6.090 -0.200 1.923 238 1HB ALA 35 HB1 ALA 35 3.945 -1.931 0.906 239 2HB ALA 35 HB3 ALA 35 5.373 -2.820 1.438 240 3HB ALA 35 HB2 ALA 35 4.544 -1.733 2.553 241 H THR 36 HN THR 36 5.766 -1.955 -1.274 242 HA THR 36 HA THR 36 8.249 -3.274 -1.158 243 HB THR 36 HB THR 36 7.098 -2.023 -3.664 244 HG1 THR 36 HG1 THR 36 5.425 -3.184 -3.149 245 1HG2 THR 36 HG21 THR 36 9.353 -3.638 -3.170 246 2HG2 THR 36 HG23 THR 36 8.138 -4.710 -3.868 247 3HG2 THR 36 HG22 THR 36 8.638 -3.260 -4.738 248 H ILE 37 HN ILE 37 7.640 -0.131 -2.758 249 HA ILE 37 HA ILE 37 10.394 0.497 -3.190 250 HB ILE 37 HB ILE 37 8.035 2.352 -2.822 251 1HG1 ILE 37 HG12 ILE 37 7.850 0.596 -4.638 252 2HG1 ILE 37 HG11 ILE 37 7.815 2.258 -5.228 253 1HG2 ILE 37 HG21 ILE 37 10.274 3.441 -2.604 254 2HG2 ILE 37 HG23 ILE 37 10.705 2.811 -4.193 255 3HG2 ILE 37 HG22 ILE 37 9.397 3.983 -4.035 256 1HD1 ILE 37 HD13 ILE 37 10.424 0.768 -5.040 257 2HD1 ILE 37 HD12 ILE 37 9.368 0.549 -6.436 258 3HD1 ILE 37 HD11 ILE 37 10.009 2.148 -6.057 259 H GLY 38 HN GLY 38 8.486 0.556 -0.352 260 1HA GLY 38 HA2 GLY 38 9.957 2.613 1.070 261 2HA GLY 38 HA1 GLY 38 8.836 1.460 1.799 262 H ILE 39 HN ILE 39 9.687 -0.835 1.909 263 HA ILE 39 HA ILE 39 12.177 -0.887 3.287 264 HB ILE 39 HB ILE 39 10.347 -3.003 2.154 265 1HG1 ILE 39 HG12 ILE 39 9.840 -1.845 4.310 266 2HG1 ILE 39 HG11 ILE 39 10.111 -3.575 4.521 267 1HG2 ILE 39 HG23 ILE 39 13.158 -3.361 3.202 268 2HG2 ILE 39 HG22 ILE 39 11.952 -4.635 3.385 269 3HG2 ILE 39 HG21 ILE 39 12.416 -4.085 1.775 270 1HD1 ILE 39 HD13 ILE 39 12.651 -2.324 4.703 271 2HD1 ILE 39 HD12 ILE 39 11.546 -1.381 5.704 272 3HD1 ILE 39 HD11 ILE 39 11.743 -3.110 5.996 273 H LYS 40 HN LYS 40 11.404 -0.731 -0.046 274 HA LYS 40 HA LYS 40 13.655 -2.218 -1.095 275 1HB LYS 40 HB2 LYS 40 11.642 -0.320 -2.119 276 2HB LYS 40 HB1 LYS 40 13.178 -0.297 -2.984 277 1HG LYS 40 HG2 LYS 40 12.433 -3.024 -2.449 278 2HG LYS 40 HG1 LYS 40 11.087 -2.196 -3.232 279 1HD LYS 40 HD2 LYS 40 12.295 -1.754 -5.162 280 2HD LYS 40 HD1 LYS 40 13.845 -1.779 -4.319 281 1HE LYS 40 HE2 LYS 40 12.440 -4.344 -4.182 282 2HE LYS 40 HE1 LYS 40 12.811 -3.854 -5.835 283 1HZ LYS 40 HZ1 LYS 40 15.098 -3.259 -4.641 284 2HZ LYS 40 HZ3 LYS 40 14.608 -4.550 -3.658 285 3HZ LYS 40 HZ2 LYS 40 14.787 -4.781 -5.332 286 H LEU 41 HN LEU 41 13.225 1.341 -1.128 287 HA LEU 41 HA LEU 41 16.042 1.841 -1.416 288 1HB LEU 41 HB2 LEU 41 13.785 3.362 -1.688 289 2HB LEU 41 HB1 LEU 41 14.423 3.970 -0.159 290 HG LEU 41 HG LEU 41 15.333 5.236 -2.079 291 1HD1 LEU 41 HD12 LEU 41 16.709 4.239 0.075 292 2HD1 LEU 41 HD11 LEU 41 17.725 3.712 -1.267 293 3HD1 LEU 41 HD13 LEU 41 17.357 5.424 -1.059 294 1HD2 LEU 41 HD23 LEU 41 15.354 2.775 -3.338 295 2HD2 LEU 41 HD22 LEU 41 16.160 4.224 -3.936 296 3HD2 LEU 41 HD21 LEU 41 17.063 3.040 -2.992 297 H PHE 42 HN PHE 42 13.865 1.963 1.412 298 HA PHE 42 HA PHE 42 15.727 2.892 3.319 299 1HB PHE 42 HB2 PHE 42 13.498 0.865 3.680 300 2HB PHE 42 HB1 PHE 42 14.325 1.698 4.995 301 HD1 PHE 42 HD1 PHE 42 14.669 4.398 3.687 302 HD2 PHE 42 HD2 PHE 42 11.291 1.749 3.891 303 HE1 PHE 42 HE1 PHE 42 13.137 6.329 3.430 304 HE2 PHE 42 HE2 PHE 42 9.760 3.684 3.633 305 HZ PHE 42 HZ PHE 42 10.685 5.973 3.403 306 H LYS 43 HN LYS 43 14.954 -0.503 2.491 307 HA LYS 43 HA LYS 43 17.119 -1.550 4.104 308 1HB LYS 43 HB2 LYS 43 14.935 -2.726 3.252 309 2HB LYS 43 HB1 LYS 43 15.894 -3.056 1.809 310 1HG LYS 43 HG2 LYS 43 17.561 -4.233 3.091 311 2HG LYS 43 HG1 LYS 43 16.823 -3.728 4.612 312 1HD LYS 43 HD2 LYS 43 14.744 -4.954 3.190 313 2HD LYS 43 HD1 LYS 43 16.149 -5.985 2.909 314 1HE LYS 43 HE2 LYS 43 15.250 -5.032 5.642 315 2HE LYS 43 HE1 LYS 43 14.870 -6.615 4.966 316 1HZ LYS 43 HZ3 LYS 43 17.652 -5.635 5.187 317 2HZ LYS 43 HZ2 LYS 43 16.888 -6.455 6.465 318 3HZ LYS 43 HZ1 LYS 43 17.112 -7.226 4.967 319 H LYS 44 HN LYS 44 17.028 -0.019 1.073 320 HA LYS 44 HA LYS 44 19.176 -1.477 -0.211 321 1HB LYS 44 HB2 LYS 44 17.382 0.350 -1.102 322 2HB LYS 44 HB1 LYS 44 18.791 1.389 -0.880 323 1HG LYS 44 HG2 LYS 44 19.378 0.654 -2.953 324 2HG LYS 44 HG1 LYS 44 19.928 -0.782 -2.089 325 1HD LYS 44 HD2 LYS 44 18.284 -2.064 -2.962 326 2HD LYS 44 HD1 LYS 44 17.056 -0.838 -2.639 327 1HE LYS 44 HE2 LYS 44 17.164 -1.077 -5.022 328 2HE LYS 44 HE1 LYS 44 17.972 0.441 -4.634 329 1HZ LYS 44 HZ3 LYS 44 19.696 -1.871 -4.608 330 2HZ LYS 44 HZ2 LYS 44 19.035 -1.518 -6.133 331 3HZ LYS 44 HZ1 LYS 44 19.940 -0.343 -5.301 332 H PHE 45 HN PHE 45 19.045 0.801 2.345 333 HA PHE 45 HA PHE 45 21.990 1.259 2.070 334 1HB PHE 45 HB2 PHE 45 19.752 3.059 2.922 335 2HB PHE 45 HB1 PHE 45 21.321 3.255 3.705 336 HD1 PHE 45 HD1 PHE 45 19.649 3.109 0.374 337 HD2 PHE 45 HD2 PHE 45 23.118 4.329 2.594 338 HE1 PHE 45 HE1 PHE 45 20.491 4.331 -1.613 339 HE2 PHE 45 HE2 PHE 45 23.959 5.550 0.605 340 HZ PHE 45 HZ PHE 45 22.645 5.551 -1.498 341 H THR 46 HN THR 46 20.779 -1.044 3.294 342 HA THR 46 HA THR 46 21.241 -2.310 5.231 343 HB THR 46 HB THR 46 22.217 0.167 6.630 344 HG1 THR 46 HG1 THR 46 23.948 0.245 5.428 345 1HG2 THR 46 HG23 THR 46 23.028 -2.750 6.641 346 2HG2 THR 46 HG22 THR 46 23.801 -1.489 7.600 347 3HG2 THR 46 HG21 THR 46 22.117 -1.915 7.899 348 H SER 47 HN SER 47 18.772 -0.822 4.652 349 HA SER 47 HA SER 47 16.708 -0.548 5.747 350 1HB SER 47 HB2 SER 47 17.738 -2.434 7.229 351 2HB SER 47 HB1 SER 47 18.055 -1.137 8.378 352 HG SER 47 HG SER 47 16.052 -1.621 8.921 353 H LYS 48 HN LYS 48 16.510 0.501 8.506 354 HA LYS 48 HA LYS 48 16.728 3.289 7.923 355 1HB LYS 48 HB2 LYS 48 15.538 1.764 9.908 356 2HB LYS 48 HB1 LYS 48 16.826 2.604 10.775 357 1HG LYS 48 HG2 LYS 48 15.922 4.674 9.356 358 2HG LYS 48 HG1 LYS 48 14.438 3.720 9.378 359 1HD LYS 48 HD2 LYS 48 15.539 3.637 12.003 360 2HD LYS 48 HD1 LYS 48 15.547 5.322 11.478 361 1HE LYS 48 HE2 LYS 48 13.103 3.658 10.983 362 2HE LYS 48 HE1 LYS 48 13.387 4.304 12.599 363 1HZ LYS 48 HZ1 LYS 48 13.847 6.251 10.565 364 2HZ LYS 48 HZ3 LYS 48 12.268 5.640 10.496 365 3HZ LYS 48 HZ2 LYS 48 12.845 6.335 11.934 366 H ALA 49 HN ALA 49 18.993 0.936 8.944 367 HA ALA 49 HA ALA 49 20.828 2.372 10.496 368 1HB ALA 49 HB1 ALA 49 20.828 -0.082 9.248 369 2HB ALA 49 HB3 ALA 49 22.090 0.780 8.369 370 3HB ALA 49 HB2 ALA 49 22.200 0.603 10.118 371 H SER 50 HN SER 50 20.474 2.383 6.933 372 HA SER 50 HA SER 50 21.099 4.084 5.420 373 1HB SER 50 HB2 SER 50 20.663 5.486 7.696 374 2HB SER 50 HB1 SER 50 22.390 5.767 7.501 375 HG SER 50 HG SER 50 20.674 6.009 5.289 No H/Q in entry = 375 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 -12.828 -13.136 6.414 2 2H ALA 1 HT3 ALA 1 -11.996 -13.979 5.202 3 3H ALA 1 HT2 ALA 1 -11.689 -14.322 6.837 4 HA ALA 1 HA ALA 1 -9.896 -13.008 6.351 5 1HB ALA 1 HB1 ALA 1 -11.320 -12.419 4.077 6 2HB ALA 1 HB3 ALA 1 -11.311 -10.862 4.905 7 3HB ALA 1 HB2 ALA 1 -9.789 -11.664 4.518 8 H GLU 2 HN GLU 2 -10.942 -12.900 8.696 9 HA GLU 2 HA GLU 2 -11.315 -9.998 9.280 10 1HB GLU 2 HB2 GLU 2 -13.060 -12.302 10.076 11 2HB GLU 2 HB1 GLU 2 -12.857 -10.964 11.208 12 1HG GLU 2 HG2 GLU 2 -13.460 -9.396 9.308 13 2HG GLU 2 HG1 GLU 2 -13.898 -10.824 8.369 14 H GLY 3 HN GLY 3 -8.852 -11.185 9.485 15 1HA GLY 3 HA2 GLY 3 -8.553 -11.867 12.379 16 2HA GLY 3 HA1 GLY 3 -7.376 -12.265 11.125 17 H ASP 4 HN ASP 4 -6.839 -10.010 9.830 18 HA ASP 4 HA ASP 4 -6.395 -7.851 11.822 19 1HB ASP 4 HB2 ASP 4 -4.397 -9.558 11.571 20 2HB ASP 4 HB1 ASP 4 -4.098 -8.678 10.072 21 H ASP 5 HN ASP 5 -6.826 -5.905 10.885 22 HA ASP 5 HA ASP 5 -6.256 -5.479 8.025 23 1HB ASP 5 HB2 ASP 5 -8.669 -4.594 7.743 24 2HB ASP 5 HB1 ASP 5 -8.443 -6.344 7.732 25 HA PRO 6 HA PRO 6 -5.690 -1.772 10.653 26 1HB PRO 6 HB2 PRO 6 -3.153 -1.233 9.737 27 2HB PRO 6 HB1 PRO 6 -3.493 -2.295 11.116 28 1HG PRO 6 HG2 PRO 6 -2.662 -3.036 8.341 29 2HG PRO 6 HG1 PRO 6 -2.422 -3.924 9.857 30 1HD PRO 6 HD2 PRO 6 -4.403 -4.485 7.903 31 2HD PRO 6 HD1 PRO 6 -4.347 -5.140 9.552 32 H ALA 7 HN ALA 7 -7.383 -1.223 8.842 33 HA ALA 7 HA ALA 7 -8.033 0.472 7.350 34 1HB ALA 7 HB3 ALA 7 -5.548 1.342 8.312 35 2HB ALA 7 HB2 ALA 7 -5.418 1.430 6.555 36 3HB ALA 7 HB1 ALA 7 -6.713 2.289 7.387 37 H LYS 8 HN LYS 8 -6.441 -2.265 6.731 38 HA LYS 8 HA LYS 8 -5.600 -1.893 3.980 39 1HB LYS 8 HB2 LYS 8 -5.581 -4.006 5.927 40 2HB LYS 8 HB1 LYS 8 -6.297 -4.613 4.433 41 1HG LYS 8 HG2 LYS 8 -4.374 -3.906 3.146 42 2HG LYS 8 HG1 LYS 8 -3.685 -3.084 4.546 43 1HD LYS 8 HD2 LYS 8 -2.520 -5.126 4.511 44 2HD LYS 8 HD1 LYS 8 -3.801 -5.418 5.690 45 1HE LYS 8 HE2 LYS 8 -4.632 -5.989 2.938 46 2HE LYS 8 HE1 LYS 8 -3.282 -6.990 3.471 47 1HZ LYS 8 HZ2 LYS 8 -5.107 -6.825 5.575 48 2HZ LYS 8 HZ1 LYS 8 -5.989 -7.200 4.171 49 3HZ LYS 8 HZ3 LYS 8 -4.698 -8.189 4.648 50 H ALA 9 HN ALA 9 -8.467 -3.432 5.471 51 HA ALA 9 HA ALA 9 -9.848 -4.130 3.135 52 1HB ALA 9 HB3 ALA 9 -10.460 -3.910 5.891 53 2HB ALA 9 HB2 ALA 9 -11.704 -2.999 5.033 54 3HB ALA 9 HB1 ALA 9 -11.425 -4.696 4.641 55 H ALA 10 HN ALA 10 -10.553 -1.144 4.984 56 HA ALA 10 HA ALA 10 -12.001 0.109 2.893 57 1HB ALA 10 HB3 ALA 10 -11.655 0.768 5.433 58 2HB ALA 10 HB2 ALA 10 -10.361 1.767 4.771 59 3HB ALA 10 HB1 ALA 10 -12.023 2.004 4.230 60 H PHE 11 HN PHE 11 -8.527 0.004 3.549 61 HA PHE 11 HA PHE 11 -7.585 2.077 1.961 62 1HB PHE 11 HB2 PHE 11 -6.541 -0.465 2.877 63 2HB PHE 11 HB1 PHE 11 -5.967 -0.109 1.247 64 HD1 PHE 11 HD2 PHE 11 -5.842 2.811 1.204 65 HD2 PHE 11 HD1 PHE 11 -4.766 0.074 4.333 66 HE1 PHE 11 HE2 PHE 11 -4.262 4.485 2.124 67 HE2 PHE 11 HE1 PHE 11 -3.186 1.748 5.253 68 HZ PHE 11 HZ PHE 11 -2.932 3.953 4.150 69 H ASP 12 HN ASP 12 -8.375 -1.208 0.793 70 HA ASP 12 HA ASP 12 -8.095 -0.502 -1.986 71 1HB ASP 12 HB2 ASP 12 -8.239 -2.858 -0.746 72 2HB ASP 12 HB1 ASP 12 -9.949 -2.692 -1.142 73 H SER 13 HN SER 13 -10.786 -0.396 0.302 74 HA SER 13 HA SER 13 -12.818 0.090 -1.717 75 1HB SER 13 HB2 SER 13 -12.825 0.672 1.255 76 2HB SER 13 HB1 SER 13 -14.239 0.738 0.208 77 HG SER 13 HG SER 13 -12.602 -1.561 0.374 78 H LEU 14 HN LEU 14 -11.985 2.355 0.904 79 HA LEU 14 HA LEU 14 -12.865 4.710 -0.155 80 1HB LEU 14 HB2 LEU 14 -11.172 5.875 1.130 81 2HB LEU 14 HB1 LEU 14 -11.655 4.440 2.035 82 HG LEU 14 HG LEU 14 -9.676 3.300 0.734 83 1HD1 LEU 14 HD13 LEU 14 -9.482 6.005 -0.145 84 2HD1 LEU 14 HD12 LEU 14 -8.092 5.685 0.891 85 3HD1 LEU 14 HD11 LEU 14 -8.396 4.665 -0.516 86 1HD2 LEU 14 HD22 LEU 14 -10.002 4.353 3.266 87 2HD2 LEU 14 HD21 LEU 14 -8.624 3.387 2.746 88 3HD2 LEU 14 HD23 LEU 14 -8.527 5.146 2.715 89 H GLN 15 HN GLN 15 -9.865 3.046 -1.145 90 HA GLN 15 HA GLN 15 -8.978 5.203 -2.850 91 1HB GLN 15 HB2 GLN 15 -8.120 2.488 -2.266 92 2HB GLN 15 HB1 GLN 15 -7.951 2.874 -3.971 93 1HG GLN 15 HG2 GLN 15 -7.077 5.018 -2.134 94 2HG GLN 15 HG1 GLN 15 -6.107 3.546 -2.064 95 1HE2 GLN 15 HE22 GLN 15 -4.592 5.541 -4.782 96 2HE2 GLN 15 HE21 GLN 15 -4.701 5.610 -3.086 97 H ALA 16 HN ALA 16 -10.311 2.017 -3.789 98 HA ALA 16 HA ALA 16 -10.762 2.507 -6.458 99 1HB ALA 16 HB2 ALA 16 -11.588 0.569 -4.620 100 2HB ALA 16 HB1 ALA 16 -13.053 1.129 -5.425 101 3HB ALA 16 HB3 ALA 16 -11.717 0.483 -6.376 102 H SER 17 HN SER 17 -12.370 4.018 -3.925 103 HA SER 17 HA SER 17 -14.709 4.813 -5.487 104 1HB SER 17 HB2 SER 17 -15.385 6.041 -3.537 105 2HB SER 17 HB1 SER 17 -14.702 4.521 -2.966 106 HG SER 17 HG SER 17 -13.908 6.377 -1.837 107 H ALA 18 HN ALA 18 -12.304 5.541 -6.823 108 HA ALA 18 HA ALA 18 -11.111 7.378 -7.693 109 1HB ALA 18 HB2 ALA 18 -13.999 7.983 -7.683 110 2HB ALA 18 HB1 ALA 18 -12.952 9.392 -7.845 111 3HB ALA 18 HB3 ALA 18 -12.834 8.068 -9.004 112 H THR 19 HN THR 19 -10.272 7.270 -5.247 113 HA THR 19 HA THR 19 -10.874 9.879 -3.928 114 HB THR 19 HB THR 19 -10.960 7.538 -2.729 115 HG1 THR 19 HG1 THR 19 -9.439 9.546 -1.470 116 1HG2 THR 19 HG23 THR 19 -8.618 6.966 -3.541 117 2HG2 THR 19 HG22 THR 19 -8.022 8.183 -2.415 118 3HG2 THR 19 HG21 THR 19 -8.880 6.770 -1.808 119 H GLU 20 HN GLU 20 -8.125 7.893 -5.077 120 HA GLU 20 HA GLU 20 -6.492 10.401 -4.978 121 1HB GLU 20 HB2 GLU 20 -5.561 7.595 -4.409 122 2HB GLU 20 HB1 GLU 20 -4.537 9.025 -4.461 123 1HG GLU 20 HG2 GLU 20 -6.741 9.600 -2.745 124 2HG GLU 20 HG1 GLU 20 -6.074 8.040 -2.262 125 H TYR 21 HN TYR 21 -7.540 10.207 -7.253 126 HA TYR 21 HA TYR 21 -7.284 9.952 -9.568 127 1HB TYR 21 HB2 TYR 21 -5.051 10.211 -10.415 128 2HB TYR 21 HB1 TYR 21 -5.124 11.125 -8.910 129 HD1 TYR 21 HD2 TYR 21 -4.243 7.709 -10.209 130 HD2 TYR 21 HD1 TYR 21 -3.536 10.727 -7.238 131 HE1 TYR 21 HE2 TYR 21 -2.433 6.334 -9.261 132 HE2 TYR 21 HE1 TYR 21 -1.716 9.348 -6.292 133 HH TYR 21 HH TYR 21 -1.329 6.292 -6.662 134 H ILE 22 HN ILE 22 -6.783 7.269 -7.607 135 HA ILE 22 HA ILE 22 -6.567 5.605 -10.030 136 HB ILE 22 HB ILE 22 -4.449 5.189 -9.139 137 1HG1 ILE 22 HG12 ILE 22 -5.829 3.217 -7.357 138 2HG1 ILE 22 HG11 ILE 22 -6.034 3.086 -9.079 139 1HG2 ILE 22 HG21 ILE 22 -5.772 5.990 -6.705 140 2HG2 ILE 22 HG23 ILE 22 -4.603 4.698 -6.484 141 3HG2 ILE 22 HG22 ILE 22 -4.107 6.217 -7.225 142 1HD1 ILE 22 HD13 ILE 22 -3.335 3.525 -8.888 143 2HD1 ILE 22 HD12 ILE 22 -3.660 2.526 -7.477 144 3HD1 ILE 22 HD11 ILE 22 -4.083 1.946 -9.082 145 H GLY 23 HN GLY 23 -8.536 6.545 -7.654 146 1HA GLY 23 HA2 GLY 23 -9.621 4.125 -6.655 147 2HA GLY 23 HA1 GLY 23 -10.543 5.607 -6.927 148 H TYR 24 HN TYR 24 -9.485 5.534 -9.788 149 HA TYR 24 HA TYR 24 -11.618 4.666 -11.206 150 1HB TYR 24 HB2 TYR 24 -10.312 5.344 -12.950 151 2HB TYR 24 HB1 TYR 24 -9.066 5.632 -11.779 152 HD1 TYR 24 HD1 TYR 24 -10.303 2.372 -13.029 153 HD2 TYR 24 HD2 TYR 24 -7.113 5.194 -12.970 154 HE1 TYR 24 HE1 TYR 24 -8.909 0.781 -14.078 155 HE2 TYR 24 HE2 TYR 24 -5.644 3.544 -14.084 156 HH TYR 24 HH TYR 24 -6.933 0.592 -15.402 157 H ALA 25 HN ALA 25 -9.323 2.541 -9.563 158 HA ALA 25 HA ALA 25 -10.495 0.315 -8.935 159 1HB ALA 25 HB2 ALA 25 -10.876 0.243 -11.943 160 2HB ALA 25 HB1 ALA 25 -11.134 -1.143 -10.883 161 3HB ALA 25 HB3 ALA 25 -12.138 0.297 -10.711 162 H TRP 26 HN TRP 26 -7.913 0.941 -8.792 163 HA TRP 26 HA TRP 26 -6.543 -1.483 -9.631 164 1HB TRP 26 HB2 TRP 26 -4.753 -0.137 -10.792 165 2HB TRP 26 HB1 TRP 26 -6.255 -0.344 -11.670 166 HD1 TRP 26 HD1 TRP 26 -8.020 1.855 -10.655 167 HE1 TRP 26 HE1 TRP 26 -7.560 4.314 -10.933 168 HE3 TRP 26 HE3 TRP 26 -3.048 1.655 -11.259 169 HZ2 TRP 26 HZ2 TRP 26 -5.374 6.008 -11.449 170 HZ3 TRP 26 HZ3 TRP 26 -1.738 3.719 -11.672 171 HH2 TRP 26 HH2 TRP 26 -2.901 5.913 -11.752 172 H ALA 27 HN ALA 27 -7.132 0.251 -7.288 173 HA ALA 27 HA ALA 27 -4.819 1.558 -6.469 174 1HB ALA 27 HB3 ALA 27 -7.279 1.234 -5.365 175 2HB ALA 27 HB2 ALA 27 -6.335 0.143 -4.349 176 3HB ALA 27 HB1 ALA 27 -5.891 1.845 -4.465 177 H MET 28 HN MET 28 -5.656 -1.791 -6.590 178 HA MET 28 HA MET 28 -4.080 -3.080 -4.811 179 1HB MET 28 HB2 MET 28 -4.366 -3.702 -7.751 180 2HB MET 28 HB1 MET 28 -3.671 -4.820 -6.575 181 1HG MET 28 HG2 MET 28 -6.391 -3.601 -6.125 182 2HG MET 28 HG1 MET 28 -6.200 -5.044 -7.121 183 1HE MET 28 HE1 MET 28 -7.316 -6.573 -6.191 184 2HE MET 28 HE3 MET 28 -5.902 -7.604 -5.921 185 3HE MET 28 HE2 MET 28 -7.104 -7.399 -4.650 186 H VAL 29 HN VAL 29 -2.912 -1.510 -7.775 187 HA VAL 29 HA VAL 29 -0.226 -2.362 -7.695 188 HB VAL 29 HB VAL 29 -1.226 -1.045 -9.554 189 1HG1 VAL 29 HG12 VAL 29 -2.399 0.576 -7.990 190 2HG1 VAL 29 HG11 VAL 29 -0.835 1.356 -7.752 191 3HG1 VAL 29 HG13 VAL 29 -1.569 1.323 -9.355 192 1HG2 VAL 29 HG22 VAL 29 1.342 -1.111 -8.799 193 2HG2 VAL 29 HG21 VAL 29 0.806 -0.144 -10.175 194 3HG2 VAL 29 HG23 VAL 29 1.065 0.621 -8.606 195 H VAL 30 HN VAL 30 -1.645 0.545 -6.141 196 HA VAL 30 HA VAL 30 0.789 1.348 -4.857 197 HB VAL 30 HB VAL 30 -1.189 2.838 -5.136 198 1HG1 VAL 30 HG13 VAL 30 -2.432 0.653 -3.628 199 2HG1 VAL 30 HG12 VAL 30 -2.786 2.240 -2.950 200 3HG1 VAL 30 HG11 VAL 30 -3.184 1.892 -4.632 201 1HG2 VAL 30 HG23 VAL 30 0.590 2.742 -3.046 202 2HG2 VAL 30 HG22 VAL 30 -0.562 4.051 -3.312 203 3HG2 VAL 30 HG21 VAL 30 -0.955 2.745 -2.194 204 H VAL 31 HN VAL 31 -1.583 -1.090 -4.118 205 HA VAL 31 HA VAL 31 -1.115 -1.362 -1.319 206 HB VAL 31 HB VAL 31 -1.850 -3.473 -3.370 207 1HG1 VAL 31 HG13 VAL 31 -1.366 -3.567 -0.478 208 2HG1 VAL 31 HG12 VAL 31 -2.951 -4.187 -0.942 209 3HG1 VAL 31 HG11 VAL 31 -1.490 -4.887 -1.640 210 1HG2 VAL 31 HG21 VAL 31 -3.498 -1.679 -1.564 211 2HG2 VAL 31 HG23 VAL 31 -3.481 -1.679 -3.327 212 3HG2 VAL 31 HG22 VAL 31 -4.157 -3.053 -2.452 213 H ILE 32 HN ILE 32 0.154 -3.537 -3.884 214 HA ILE 32 HA ILE 32 2.160 -4.637 -2.206 215 HB ILE 32 HB ILE 32 1.575 -5.753 -4.163 216 1HG1 ILE 32 HG12 ILE 32 4.164 -5.026 -5.233 217 2HG1 ILE 32 HG11 ILE 32 4.201 -5.220 -3.480 218 1HG2 ILE 32 HG21 ILE 32 1.266 -3.345 -5.349 219 2HG2 ILE 32 HG23 ILE 32 2.775 -3.887 -6.081 220 3HG2 ILE 32 HG22 ILE 32 1.316 -4.864 -6.240 221 1HD1 ILE 32 HD13 ILE 32 2.774 -7.292 -5.100 222 2HD1 ILE 32 HD12 ILE 32 4.537 -7.310 -5.088 223 3HD1 ILE 32 HD11 ILE 32 3.644 -7.465 -3.575 224 H VAL 33 HN VAL 33 2.574 -2.152 -4.784 225 HA VAL 33 HA VAL 33 5.274 -1.660 -4.322 226 HB VAL 33 HB VAL 33 3.098 0.399 -4.854 227 1HG1 VAL 33 HG11 VAL 33 5.451 1.139 -3.962 228 2HG1 VAL 33 HG13 VAL 33 6.002 0.705 -5.580 229 3HG1 VAL 33 HG12 VAL 33 4.772 1.952 -5.372 230 1HG2 VAL 33 HG23 VAL 33 4.965 -1.141 -6.688 231 2HG2 VAL 33 HG22 VAL 33 3.216 -1.340 -6.574 232 3HG2 VAL 33 HG21 VAL 33 3.893 0.160 -7.208 233 H GLY 34 HN GLY 34 2.570 -1.033 -2.247 234 1HA GLY 34 HA2 GLY 34 3.910 0.874 -0.522 235 2HA GLY 34 HA1 GLY 34 2.526 -0.133 -0.068 236 H ALA 35 HN ALA 35 3.370 -2.644 -0.379 237 HA ALA 35 HA ALA 35 5.094 -3.095 1.873 238 1HB ALA 35 HB1 ALA 35 3.494 -4.681 0.047 239 2HB ALA 35 HB3 ALA 35 5.055 -5.449 0.337 240 3HB ALA 35 HB2 ALA 35 4.000 -5.056 1.695 241 H THR 36 HN THR 36 5.684 -3.514 -1.701 242 HA THR 36 HA THR 36 8.358 -4.433 -1.427 243 HB THR 36 HB THR 36 7.749 -2.627 -3.704 244 HG1 THR 36 HG1 THR 36 6.238 -4.894 -2.992 245 1HG2 THR 36 HG21 THR 36 8.773 -5.460 -3.394 246 2HG2 THR 36 HG23 THR 36 8.594 -4.634 -4.942 247 3HG2 THR 36 HG22 THR 36 9.734 -4.023 -3.742 248 H ILE 37 HN ILE 37 7.439 -1.129 -2.432 249 HA ILE 37 HA ILE 37 10.010 0.016 -1.939 250 HB ILE 37 HB ILE 37 7.232 1.165 -2.150 251 1HG1 ILE 37 HG12 ILE 37 8.106 2.033 -4.276 252 2HG1 ILE 37 HG11 ILE 37 9.708 1.402 -3.895 253 1HG2 ILE 37 HG21 ILE 37 9.839 2.661 -1.706 254 2HG2 ILE 37 HG23 ILE 37 8.337 3.419 -2.237 255 3HG2 ILE 37 HG22 ILE 37 8.429 2.664 -0.645 256 1HD1 ILE 37 HD12 ILE 37 7.228 -0.321 -4.140 257 2HD1 ILE 37 HD11 ILE 37 8.393 -0.077 -5.441 258 3HD1 ILE 37 HD13 ILE 37 8.890 -0.880 -3.952 259 H GLY 38 HN GLY 38 7.486 -0.813 0.237 260 1HA GLY 38 HA2 GLY 38 8.163 1.063 2.337 261 2HA GLY 38 HA1 GLY 38 7.161 -0.379 2.533 262 H ILE 39 HN ILE 39 8.426 -2.473 2.398 263 HA ILE 39 HA ILE 39 10.487 -2.476 4.366 264 HB ILE 39 HB ILE 39 9.745 -4.600 2.327 265 1HG1 ILE 39 HG12 ILE 39 7.837 -3.994 3.728 266 2HG1 ILE 39 HG11 ILE 39 8.460 -5.558 4.252 267 1HG2 ILE 39 HG22 ILE 39 11.851 -4.432 4.295 268 2HG2 ILE 39 HG21 ILE 39 10.722 -5.713 4.736 269 3HG2 ILE 39 HG23 ILE 39 11.505 -5.733 3.155 270 1HD1 ILE 39 HD13 ILE 39 9.764 -4.410 6.035 271 2HD1 ILE 39 HD12 ILE 39 9.046 -2.877 5.541 272 3HD1 ILE 39 HD11 ILE 39 8.027 -4.153 6.206 273 H LYS 40 HN LYS 40 10.493 -1.641 1.052 274 HA LYS 40 HA LYS 40 13.223 -2.578 0.491 275 1HB LYS 40 HB2 LYS 40 11.625 -2.244 -1.350 276 2HB LYS 40 HB1 LYS 40 11.506 -0.529 -0.950 277 1HG LYS 40 HG2 LYS 40 14.032 -0.408 -1.290 278 2HG LYS 40 HG1 LYS 40 13.924 -2.027 -1.983 279 1HD LYS 40 HD2 LYS 40 11.936 -0.150 -3.068 280 2HD LYS 40 HD1 LYS 40 13.604 0.314 -3.402 281 1HE LYS 40 HE2 LYS 40 13.472 -2.477 -3.826 282 2HE LYS 40 HE1 LYS 40 12.045 -1.794 -4.605 283 1HZ LYS 40 HZ1 LYS 40 14.557 -0.374 -4.996 284 2HZ LYS 40 HZ3 LYS 40 14.411 -1.874 -5.773 285 3HZ LYS 40 HZ2 LYS 40 13.280 -0.646 -6.084 286 H LEU 41 HN LEU 41 12.055 0.793 0.340 287 HA LEU 41 HA LEU 41 14.526 2.025 0.793 288 1HB LEU 41 HB2 LEU 41 11.686 2.820 1.255 289 2HB LEU 41 HB1 LEU 41 12.939 3.813 2.002 290 HG LEU 41 HG LEU 41 12.389 4.673 -0.234 291 1HD1 LEU 41 HD11 LEU 41 14.855 4.370 0.768 292 2HD1 LEU 41 HD13 LEU 41 15.037 3.369 -0.672 293 3HD1 LEU 41 HD12 LEU 41 14.581 5.065 -0.830 294 1HD2 LEU 41 HD21 LEU 41 11.702 2.363 -1.089 295 2HD2 LEU 41 HD23 LEU 41 12.644 3.344 -2.212 296 3HD2 LEU 41 HD22 LEU 41 13.420 2.039 -1.316 297 H PHE 42 HN PHE 42 12.235 0.730 3.170 298 HA PHE 42 HA PHE 42 13.657 1.745 5.479 299 1HB PHE 42 HB2 PHE 42 11.270 0.281 4.980 300 2HB PHE 42 HB1 PHE 42 12.250 -0.689 6.078 301 HD1 PHE 42 HD2 PHE 42 11.535 2.968 5.590 302 HD2 PHE 42 HD1 PHE 42 11.802 -0.331 8.328 303 HE1 PHE 42 HE2 PHE 42 10.922 4.473 7.463 304 HE2 PHE 42 HE1 PHE 42 11.191 1.175 10.202 305 HZ PHE 42 HZ PHE 42 10.750 3.576 9.769 306 H LYS 43 HN LYS 43 13.348 -1.614 4.294 307 HA LYS 43 HA LYS 43 15.751 -2.408 5.759 308 1HB LYS 43 HB2 LYS 43 13.702 -3.876 5.359 309 2HB LYS 43 HB1 LYS 43 14.261 -4.035 3.693 310 1HG LYS 43 HG2 LYS 43 16.265 -5.122 4.349 311 2HG LYS 43 HG1 LYS 43 16.071 -4.633 6.033 312 1HD LYS 43 HD2 LYS 43 13.910 -6.012 6.026 313 2HD LYS 43 HD1 LYS 43 14.477 -6.691 4.500 314 1HE LYS 43 HE2 LYS 43 15.897 -6.808 7.174 315 2HE LYS 43 HE1 LYS 43 15.183 -8.161 6.297 316 1HZ LYS 43 HZ1 LYS 43 16.788 -7.268 4.431 317 2HZ LYS 43 HZ3 LYS 43 17.657 -6.701 5.772 318 3HZ LYS 43 HZ2 LYS 43 17.322 -8.360 5.618 319 H LYS 44 HN LYS 44 15.876 -0.427 3.387 320 HA LYS 44 HA LYS 44 17.245 -1.774 1.248 321 1HB LYS 44 HB2 LYS 44 16.194 0.660 1.399 322 2HB LYS 44 HB1 LYS 44 17.826 1.091 1.911 323 1HG LYS 44 HG2 LYS 44 18.025 1.314 -0.395 324 2HG LYS 44 HG1 LYS 44 18.532 -0.362 -0.180 325 1HD LYS 44 HD2 LYS 44 16.350 -1.183 -0.793 326 2HD LYS 44 HD1 LYS 44 15.676 0.448 -0.776 327 1HE LYS 44 HE2 LYS 44 17.981 -0.240 -2.589 328 2HE LYS 44 HE1 LYS 44 16.321 -0.585 -3.073 329 1HZ LYS 44 HZ2 LYS 44 15.825 1.794 -2.533 330 2HZ LYS 44 HZ1 LYS 44 17.500 2.048 -2.395 331 3HZ LYS 44 HZ3 LYS 44 16.839 1.557 -3.877 332 H PHE 45 HN PHE 45 18.253 -0.299 4.281 333 HA PHE 45 HA PHE 45 20.521 -1.814 4.728 334 1HB PHE 45 HB2 PHE 45 22.306 -0.050 3.916 335 2HB PHE 45 HB1 PHE 45 21.688 -1.255 2.788 336 HD1 PHE 45 HD1 PHE 45 19.744 1.667 4.025 337 HD2 PHE 45 HD2 PHE 45 21.973 -0.006 0.753 338 HE1 PHE 45 HE1 PHE 45 18.917 3.471 2.543 339 HE2 PHE 45 HE2 PHE 45 21.145 1.802 -0.730 340 HZ PHE 45 HZ PHE 45 19.617 3.539 0.165 341 H THR 46 HN THR 46 18.894 -0.773 6.505 342 HA THR 46 HA THR 46 18.900 0.432 8.524 343 HB THR 46 HB THR 46 21.622 1.471 7.693 344 HG1 THR 46 HG1 THR 46 21.306 -0.900 7.659 345 1HG2 THR 46 HG22 THR 46 19.939 1.739 10.016 346 2HG2 THR 46 HG21 THR 46 21.427 0.899 10.453 347 3HG2 THR 46 HG23 THR 46 21.502 2.488 9.692 348 H SER 47 HN SER 47 18.163 1.519 5.777 349 HA SER 47 HA SER 47 18.742 4.209 5.397 350 1HB SER 47 HB2 SER 47 17.271 3.279 3.816 351 2HB SER 47 HB1 SER 47 16.192 2.640 5.053 352 HG SER 47 HG SER 47 16.630 5.387 4.450 353 H LYS 48 HN LYS 48 15.532 3.706 6.724 354 HA LYS 48 HA LYS 48 16.033 5.930 8.612 355 1HB LYS 48 HB2 LYS 48 13.631 4.657 7.390 356 2HB LYS 48 HB1 LYS 48 13.435 5.375 8.989 357 1HG LYS 48 HG2 LYS 48 14.437 7.488 8.129 358 2HG LYS 48 HG1 LYS 48 14.509 6.766 6.520 359 1HD LYS 48 HD2 LYS 48 11.906 6.281 7.196 360 2HD LYS 48 HD1 LYS 48 12.186 7.822 8.004 361 1HE LYS 48 HE2 LYS 48 11.427 8.338 5.785 362 2HE LYS 48 HE1 LYS 48 13.158 8.670 5.820 363 1HZ LYS 48 HZ3 LYS 48 13.493 6.390 4.929 364 2HZ LYS 48 HZ2 LYS 48 11.811 6.264 4.724 365 3HZ LYS 48 HZ1 LYS 48 12.690 7.435 3.862 366 H ALA 49 HN ALA 49 14.737 2.595 8.690 367 HA ALA 49 HA ALA 49 15.847 2.319 11.422 368 1HB ALA 49 HB2 ALA 49 13.423 3.129 11.544 369 2HB ALA 49 HB1 ALA 49 12.972 1.571 10.853 370 3HB ALA 49 HB3 ALA 49 13.786 1.640 12.416 371 H SER 50 HN SER 50 16.296 1.177 8.657 372 HA SER 50 HA SER 50 16.594 -0.935 7.654 373 1HB SER 50 HB2 SER 50 17.041 -2.579 9.874 374 2HB SER 50 HB1 SER 50 18.264 -1.709 8.954 375 HG SER 50 HG SER 50 18.540 -0.817 10.871 No H/Q in entry = 375 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 3.841 -1.149 14.836 2 2H ALA 1 HT3 ALA 1 3.927 -1.206 16.528 3 3H ALA 1 HT2 ALA 1 2.620 -0.427 15.772 4 HA ALA 1 HA ALA 1 3.765 1.447 16.076 5 1HB ALA 1 HB3 ALA 1 5.872 -0.524 16.749 6 2HB ALA 1 HB2 ALA 1 6.455 1.048 16.203 7 3HB ALA 1 HB1 ALA 1 5.388 0.941 17.602 8 H GLU 2 HN GLU 2 3.135 0.396 13.515 9 HA GLU 2 HA GLU 2 5.362 1.583 11.910 10 1HB GLU 2 HB2 GLU 2 3.641 -0.799 11.146 11 2HB GLU 2 HB1 GLU 2 4.873 -0.054 10.127 12 1HG GLU 2 HG2 GLU 2 6.362 -0.485 12.324 13 2HG GLU 2 HG1 GLU 2 5.194 -1.791 12.525 14 H GLY 3 HN GLY 3 4.217 3.590 11.828 15 1HA GLY 3 HA2 GLY 3 1.458 3.830 11.091 16 2HA GLY 3 HA1 GLY 3 2.657 5.117 10.963 17 H ASP 4 HN ASP 4 4.450 4.065 9.152 18 HA ASP 4 HA ASP 4 2.960 3.106 6.801 19 1HB ASP 4 HB2 ASP 4 4.506 5.685 6.539 20 2HB ASP 4 HB1 ASP 4 3.335 4.988 5.419 21 H ASP 5 HN ASP 5 4.537 2.772 4.931 22 HA ASP 5 HA ASP 5 6.760 1.241 5.753 23 1HB ASP 5 HB2 ASP 5 5.623 2.129 3.257 24 2HB ASP 5 HB1 ASP 5 7.377 2.301 3.191 25 HA PRO 6 HA PRO 6 9.781 4.270 6.711 26 1HB PRO 6 HB2 PRO 6 12.021 2.699 6.441 27 2HB PRO 6 HB1 PRO 6 10.912 2.596 7.821 28 1HG PRO 6 HG2 PRO 6 11.218 0.713 5.519 29 2HG PRO 6 HG1 PRO 6 10.617 0.393 7.156 30 1HD PRO 6 HD2 PRO 6 9.018 0.742 4.831 31 2HD PRO 6 HD1 PRO 6 8.437 0.720 6.510 32 H ALA 7 HN ALA 7 9.920 2.488 3.696 33 HA ALA 7 HA ALA 7 11.220 4.838 2.427 34 1HB ALA 7 HB1 ALA 7 12.508 2.315 2.880 35 2HB ALA 7 HB3 ALA 7 12.248 2.512 1.146 36 3HB ALA 7 HB2 ALA 7 13.143 3.735 2.048 37 H LYS 8 HN LYS 8 8.504 4.196 2.320 38 HA LYS 8 HA LYS 8 7.656 2.504 0.232 39 1HB LYS 8 HB2 LYS 8 5.742 4.196 -0.006 40 2HB LYS 8 HB1 LYS 8 5.974 3.501 1.599 41 1HG LYS 8 HG2 LYS 8 7.671 5.710 1.586 42 2HG LYS 8 HG1 LYS 8 6.233 6.276 0.735 43 1HD LYS 8 HD2 LYS 8 5.128 4.874 2.823 44 2HD LYS 8 HD1 LYS 8 6.571 5.560 3.571 45 1HE LYS 8 HE2 LYS 8 5.916 7.805 2.712 46 2HE LYS 8 HE1 LYS 8 4.436 7.098 2.065 47 1HZ LYS 8 HZ2 LYS 8 4.893 6.436 4.819 48 2HZ LYS 8 HZ1 LYS 8 4.741 8.109 4.562 49 3HZ LYS 8 HZ3 LYS 8 3.502 7.061 4.071 50 H ALA 9 HN ALA 9 9.178 5.665 0.095 51 HA ALA 9 HA ALA 9 8.540 6.475 -2.517 52 1HB ALA 9 HB3 ALA 9 11.163 6.717 -1.016 53 2HB ALA 9 HB2 ALA 9 10.809 7.564 -2.522 54 3HB ALA 9 HB1 ALA 9 9.862 7.906 -1.074 55 H ALA 10 HN ALA 10 11.622 4.821 -1.728 56 HA ALA 10 HA ALA 10 12.227 4.072 -4.376 57 1HB ALA 10 HB1 ALA 10 13.171 3.372 -1.722 58 2HB ALA 10 HB3 ALA 10 13.178 1.968 -2.788 59 3HB ALA 10 HB2 ALA 10 14.061 3.425 -3.243 60 H PHE 11 HN PHE 11 10.173 2.447 -1.983 61 HA PHE 11 HA PHE 11 9.803 -0.041 -3.169 62 1HB PHE 11 HB2 PHE 11 8.423 1.493 -1.262 63 2HB PHE 11 HB1 PHE 11 7.218 1.092 -2.487 64 HD1 PHE 11 HD1 PHE 11 6.653 -1.241 -2.997 65 HD2 PHE 11 HD2 PHE 11 9.526 -0.248 0.038 66 HE1 PHE 11 HE1 PHE 11 6.540 -3.561 -2.130 67 HE2 PHE 11 HE2 PHE 11 9.414 -2.567 0.905 68 HZ PHE 11 HZ PHE 11 7.919 -4.225 -0.178 69 H ASP 12 HN ASP 12 8.106 2.984 -4.036 70 HA ASP 12 HA ASP 12 6.717 1.809 -6.277 71 1HB ASP 12 HB2 ASP 12 5.978 3.913 -5.178 72 2HB ASP 12 HB1 ASP 12 7.431 4.716 -5.776 73 H SER 13 HN SER 13 9.862 3.333 -5.850 74 HA SER 13 HA SER 13 10.392 3.520 -8.720 75 1HB SER 13 HB2 SER 13 12.298 3.685 -6.369 76 2HB SER 13 HB1 SER 13 12.676 4.134 -8.028 77 HG SER 13 HG SER 13 12.065 5.952 -6.814 78 H LEU 14 HN LEU 14 12.439 1.828 -6.346 79 HA LEU 14 HA LEU 14 13.654 -0.009 -7.969 80 1HB LEU 14 HB2 LEU 14 13.844 -1.501 -6.050 81 2HB LEU 14 HB1 LEU 14 13.985 0.168 -5.497 82 HG LEU 14 HG LEU 14 11.312 -0.138 -5.301 83 1HD1 LEU 14 HD11 LEU 14 12.547 -2.876 -4.970 84 2HD1 LEU 14 HD13 LEU 14 11.016 -2.436 -4.215 85 3HD1 LEU 14 HD12 LEU 14 11.169 -2.422 -5.972 86 1HD2 LEU 14 HD23 LEU 14 13.409 0.218 -3.580 87 2HD2 LEU 14 HD22 LEU 14 11.723 0.108 -3.073 88 3HD2 LEU 14 HD21 LEU 14 12.758 -1.319 -3.013 89 H GLN 15 HN GLN 15 10.283 -0.195 -6.865 90 HA GLN 15 HA GLN 15 9.915 -2.874 -7.955 91 1HB GLN 15 HB2 GLN 15 8.550 -1.928 -6.055 92 2HB GLN 15 HB1 GLN 15 7.774 -0.859 -7.225 93 1HG GLN 15 HG2 GLN 15 6.795 -2.663 -8.404 94 2HG GLN 15 HG1 GLN 15 7.873 -3.843 -7.660 95 1HE2 GLN 15 HE22 GLN 15 5.079 -4.525 -5.553 96 2HE2 GLN 15 HE21 GLN 15 6.008 -5.083 -6.857 97 H ALA 16 HN ALA 16 8.680 0.356 -8.908 98 HA ALA 16 HA ALA 16 7.492 -0.417 -11.313 99 1HB ALA 16 HB1 ALA 16 8.663 2.136 -10.342 100 2HB ALA 16 HB3 ALA 16 8.207 2.012 -12.041 101 3HB ALA 16 HB2 ALA 16 6.994 1.777 -10.783 102 H SER 17 HN SER 17 10.739 -0.321 -10.553 103 HA SER 17 HA SER 17 11.702 -0.107 -13.309 104 1HB SER 17 HB2 SER 17 12.869 0.285 -10.831 105 2HB SER 17 HB1 SER 17 13.570 -1.243 -11.354 106 HG SER 17 HG SER 17 14.812 0.003 -12.510 107 H ALA 18 HN ALA 18 9.812 -2.334 -12.598 108 HA ALA 18 HA ALA 18 9.584 -4.641 -12.959 109 1HB ALA 18 HB3 ALA 18 10.611 -3.683 -15.173 110 2HB ALA 18 HB2 ALA 18 12.070 -4.514 -14.635 111 3HB ALA 18 HB1 ALA 18 10.586 -5.427 -14.913 112 H THR 19 HN THR 19 10.449 -4.578 -10.591 113 HA THR 19 HA THR 19 13.036 -6.100 -10.516 114 HB THR 19 HB THR 19 12.870 -3.796 -9.344 115 HG1 THR 19 HG1 THR 19 13.577 -6.106 -7.860 116 1HG2 THR 19 HG22 THR 19 10.568 -4.594 -8.338 117 2HG2 THR 19 HG21 THR 19 11.590 -5.346 -7.113 118 3HG2 THR 19 HG23 THR 19 11.652 -3.602 -7.364 119 H GLU 20 HN GLU 20 9.731 -6.444 -10.203 120 HA GLU 20 HA GLU 20 10.110 -8.935 -8.711 121 1HB GLU 20 HB2 GLU 20 9.432 -7.086 -7.125 122 2HB GLU 20 HB1 GLU 20 7.902 -7.047 -8.002 123 1HG GLU 20 HG2 GLU 20 7.205 -8.679 -6.624 124 2HG GLU 20 HG1 GLU 20 8.313 -9.750 -7.477 125 H TYR 21 HN TYR 21 7.869 -6.945 -10.361 126 HA TYR 21 HA TYR 21 7.148 -8.654 -12.434 127 1HB TYR 21 HB2 TYR 21 5.059 -9.728 -11.681 128 2HB TYR 21 HB1 TYR 21 6.400 -10.276 -10.688 129 HD1 TYR 21 HD1 TYR 21 3.433 -8.073 -10.810 130 HD2 TYR 21 HD2 TYR 21 6.567 -9.671 -8.346 131 HE1 TYR 21 HE1 TYR 21 2.272 -7.237 -8.786 132 HE2 TYR 21 HE2 TYR 21 5.394 -8.838 -6.326 133 HH TYR 21 HH TYR 21 3.116 -6.565 -6.327 134 H ILE 22 HN ILE 22 5.663 -6.573 -9.948 135 HA ILE 22 HA ILE 22 3.866 -5.438 -11.931 136 HB ILE 22 HB ILE 22 2.882 -5.546 -9.781 137 1HG1 ILE 22 HG12 ILE 22 3.855 -2.747 -9.503 138 2HG1 ILE 22 HG11 ILE 22 3.017 -3.158 -10.968 139 1HG2 ILE 22 HG21 ILE 22 5.601 -4.941 -9.000 140 2HG2 ILE 22 HG23 ILE 22 4.396 -4.072 -8.061 141 3HG2 ILE 22 HG22 ILE 22 4.350 -5.828 -8.143 142 1HD1 ILE 22 HD13 ILE 22 1.383 -4.365 -9.187 143 2HD1 ILE 22 HD12 ILE 22 1.967 -3.016 -8.219 144 3HD1 ILE 22 HD11 ILE 22 1.143 -2.715 -9.742 145 H GLY 23 HN GLY 23 7.040 -5.071 -11.405 146 1HA GLY 23 HA2 GLY 23 7.421 -2.273 -11.341 147 2HA GLY 23 HA1 GLY 23 8.500 -3.412 -12.139 148 H TYR 24 HN TYR 24 6.017 -4.335 -13.709 149 HA TYR 24 HA TYR 24 6.459 -3.145 -16.121 150 1HB TYR 24 HB2 TYR 24 4.775 -4.526 -16.819 151 2HB TYR 24 HB1 TYR 24 4.725 -5.065 -15.175 152 HD1 TYR 24 HD1 TYR 24 3.451 -1.842 -16.529 153 HD2 TYR 24 HD2 TYR 24 2.493 -5.671 -14.921 154 HE1 TYR 24 HE1 TYR 24 1.200 -1.164 -16.318 155 HE2 TYR 24 HE2 TYR 24 0.129 -4.979 -14.713 156 HH TYR 24 HH TYR 24 -1.381 -3.318 -15.739 157 H ALA 25 HN ALA 25 4.875 -1.607 -13.388 158 HA ALA 25 HA ALA 25 5.192 0.974 -13.602 159 1HB ALA 25 HB1 ALA 25 3.606 0.401 -16.118 160 2HB ALA 25 HB3 ALA 25 3.799 2.015 -15.436 161 3HB ALA 25 HB2 ALA 25 5.210 1.123 -16.004 162 H TRP 26 HN TRP 26 3.702 -0.581 -11.906 163 HA TRP 26 HA TRP 26 1.310 1.055 -11.504 164 1HB TRP 26 HB2 TRP 26 -0.097 -1.045 -11.307 165 2HB TRP 26 HB1 TRP 26 0.307 -0.529 -12.933 166 HD1 TRP 26 HD1 TRP 26 3.032 -1.702 -13.416 167 HE1 TRP 26 HE1 TRP 26 3.541 -4.167 -13.475 168 HE3 TRP 26 HE3 TRP 26 -0.845 -3.395 -10.694 169 HZ2 TRP 26 HZ2 TRP 26 2.416 -6.582 -12.605 170 HZ3 TRP 26 HZ3 TRP 26 -1.151 -5.828 -10.316 171 HH2 TRP 26 HH2 TRP 26 0.497 -7.433 -11.258 172 H ALA 27 HN ALA 27 3.847 0.068 -10.216 173 HA ALA 27 HA ALA 27 3.201 -1.663 -8.134 174 1HB ALA 27 HB2 ALA 27 5.528 -0.790 -8.869 175 2HB ALA 27 HB1 ALA 27 5.188 0.583 -7.816 176 3HB ALA 27 HB3 ALA 27 5.260 -1.045 -7.146 177 H MET 28 HN MET 28 2.940 1.814 -8.463 178 HA MET 28 HA MET 28 2.352 2.577 -5.888 179 1HB MET 28 HB2 MET 28 2.582 4.230 -7.634 180 2HB MET 28 HB1 MET 28 1.170 3.584 -8.472 181 1HG MET 28 HG2 MET 28 -0.154 4.944 -7.268 182 2HG MET 28 HG1 MET 28 0.386 4.145 -5.791 183 1HE MET 28 HE1 MET 28 0.370 6.656 -8.191 184 2HE MET 28 HE3 MET 28 0.661 8.108 -7.220 185 3HE MET 28 HE2 MET 28 1.953 7.430 -8.208 186 H VAL 29 HN VAL 29 0.264 0.997 -8.237 187 HA VAL 29 HA VAL 29 -2.236 1.343 -6.969 188 HB VAL 29 HB VAL 29 -1.159 -1.007 -8.553 189 1HG1 VAL 29 HG13 VAL 29 -3.871 -0.428 -7.383 190 2HG1 VAL 29 HG12 VAL 29 -3.736 -1.328 -8.895 191 3HG1 VAL 29 HG11 VAL 29 -2.983 -1.951 -7.426 192 1HG2 VAL 29 HG21 VAL 29 -2.311 1.631 -9.185 193 2HG2 VAL 29 HG23 VAL 29 -1.351 0.552 -10.198 194 3HG2 VAL 29 HG22 VAL 29 -3.088 0.294 -10.035 195 H VAL 30 HN VAL 30 0.239 -1.162 -6.400 196 HA VAL 30 HA VAL 30 -1.324 -2.539 -4.396 197 HB VAL 30 HB VAL 30 1.669 -2.540 -4.878 198 1HG1 VAL 30 HG13 VAL 30 -0.118 -3.945 -2.976 199 2HG1 VAL 30 HG12 VAL 30 1.041 -4.970 -3.823 200 3HG1 VAL 30 HG11 VAL 30 1.609 -3.606 -2.859 201 1HG2 VAL 30 HG23 VAL 30 -0.479 -3.511 -6.453 202 2HG2 VAL 30 HG22 VAL 30 1.239 -3.849 -6.664 203 3HG2 VAL 30 HG21 VAL 30 0.244 -4.921 -5.678 204 H VAL 31 HN VAL 31 1.418 -0.250 -4.167 205 HA VAL 31 HA VAL 31 1.714 -0.135 -1.402 206 HB VAL 31 HB VAL 31 1.860 2.065 -3.475 207 1HG1 VAL 31 HG12 VAL 31 2.194 2.165 -0.494 208 2HG1 VAL 31 HG11 VAL 31 3.260 3.144 -1.501 209 3HG1 VAL 31 HG13 VAL 31 1.513 3.375 -1.582 210 1HG2 VAL 31 HG22 VAL 31 3.891 0.411 -1.947 211 2HG2 VAL 31 HG21 VAL 31 3.573 0.366 -3.680 212 3HG2 VAL 31 HG23 VAL 31 4.316 1.792 -2.957 213 H ILE 32 HN ILE 32 -0.563 1.870 -3.326 214 HA ILE 32 HA ILE 32 -1.783 3.047 -1.026 215 HB ILE 32 HB ILE 32 -1.983 3.688 -3.508 216 1HG1 ILE 32 HG12 ILE 32 -2.981 5.032 -1.799 217 2HG1 ILE 32 HG11 ILE 32 -4.208 4.776 -3.040 218 1HG2 ILE 32 HG21 ILE 32 -2.955 1.585 -4.305 219 2HG2 ILE 32 HG23 ILE 32 -4.343 1.845 -3.250 220 3HG2 ILE 32 HG22 ILE 32 -4.046 2.936 -4.603 221 1HD1 ILE 32 HD13 ILE 32 -4.858 2.688 -1.611 222 2HD1 ILE 32 HD12 ILE 32 -3.982 3.514 -0.322 223 3HD1 ILE 32 HD11 ILE 32 -5.378 4.285 -1.074 224 H VAL 33 HN VAL 33 -2.820 0.237 -3.010 225 HA VAL 33 HA VAL 33 -5.155 -0.352 -1.590 226 HB VAL 33 HB VAL 33 -3.046 -2.245 -2.684 227 1HG1 VAL 33 HG13 VAL 33 -5.274 -2.800 -0.934 228 2HG1 VAL 33 HG12 VAL 33 -5.559 -3.533 -2.512 229 3HG1 VAL 33 HG11 VAL 33 -4.095 -3.923 -1.611 230 1HG2 VAL 33 HG21 VAL 33 -5.215 -0.690 -3.810 231 2HG2 VAL 33 HG23 VAL 33 -4.010 -1.672 -4.644 232 3HG2 VAL 33 HG22 VAL 33 -5.504 -2.411 -4.068 233 H GLY 34 HN GLY 34 -1.860 -0.496 -0.518 234 1HA GLY 34 HA2 GLY 34 -2.397 -2.139 1.830 235 2HA GLY 34 HA1 GLY 34 -1.002 -1.063 1.616 236 H ALA 35 HN ALA 35 -2.079 1.326 1.143 237 HA ALA 35 HA ALA 35 -2.932 2.279 3.699 238 1HB ALA 35 HB1 ALA 35 -2.287 3.388 1.109 239 2HB ALA 35 HB3 ALA 35 -3.741 4.155 1.750 240 3HB ALA 35 HB2 ALA 35 -2.248 4.171 2.689 241 H THR 36 HN THR 36 -4.883 2.073 0.589 242 HA THR 36 HA THR 36 -7.347 2.820 1.718 243 HB THR 36 HB THR 36 -6.938 0.657 -0.371 244 HG1 THR 36 HG1 THR 36 -7.374 3.418 -0.772 245 1HG2 THR 36 HG22 THR 36 -9.243 1.054 0.740 246 2HG2 THR 36 HG21 THR 36 -9.243 2.581 -0.142 247 3HG2 THR 36 HG23 THR 36 -9.166 1.055 -1.022 248 H ILE 37 HN ILE 37 -6.244 -0.549 1.258 249 HA ILE 37 HA ILE 37 -8.314 -1.756 2.813 250 HB ILE 37 HB ILE 37 -5.479 -2.722 2.390 251 1HG1 ILE 37 HG12 ILE 37 -6.639 -2.179 0.273 252 2HG1 ILE 37 HG11 ILE 37 -6.427 -3.921 0.450 253 1HG2 ILE 37 HG22 ILE 37 -6.770 -3.915 4.163 254 2HG2 ILE 37 HG21 ILE 37 -8.032 -4.254 2.978 255 3HG2 ILE 37 HG23 ILE 37 -6.423 -4.946 2.775 256 1HD1 ILE 37 HD12 ILE 37 -8.868 -3.345 1.719 257 2HD1 ILE 37 HD11 ILE 37 -8.883 -2.398 0.231 258 3HD1 ILE 37 HD13 ILE 37 -8.649 -4.145 0.162 259 H GLY 38 HN GLY 38 -5.550 0.014 3.804 260 1HA GLY 38 HA2 GLY 38 -5.304 -1.194 6.448 261 2HA GLY 38 HA1 GLY 38 -4.483 0.269 5.901 262 H ILE 39 HN ILE 39 -5.939 2.215 5.638 263 HA ILE 39 HA ILE 39 -7.336 2.740 8.056 264 HB ILE 39 HB ILE 39 -6.380 4.504 6.581 265 1HG1 ILE 39 HG12 ILE 39 -9.343 5.004 6.687 266 2HG1 ILE 39 HG11 ILE 39 -8.454 4.767 8.192 267 1HG2 ILE 39 HG21 ILE 39 -8.456 3.383 4.732 268 2HG2 ILE 39 HG23 ILE 39 -8.086 5.106 4.641 269 3HG2 ILE 39 HG22 ILE 39 -6.812 3.915 4.377 270 1HD1 ILE 39 HD12 ILE 39 -7.596 6.751 6.074 271 2HD1 ILE 39 HD11 ILE 39 -8.647 7.182 7.423 272 3HD1 ILE 39 HD13 ILE 39 -7.003 6.621 7.731 273 H LYS 40 HN LYS 40 -8.235 0.957 5.271 274 HA LYS 40 HA LYS 40 -11.107 1.514 5.453 275 1HB LYS 40 HB2 LYS 40 -10.164 0.766 3.328 276 2HB LYS 40 HB1 LYS 40 -9.587 -0.723 4.076 277 1HG LYS 40 HG2 LYS 40 -11.564 -1.602 3.383 278 2HG LYS 40 HG1 LYS 40 -12.251 -0.739 4.760 279 1HD LYS 40 HD2 LYS 40 -13.582 -0.004 2.966 280 2HD LYS 40 HD1 LYS 40 -12.391 1.287 3.131 281 1HE LYS 40 HE2 LYS 40 -11.839 0.957 0.973 282 2HE LYS 40 HE1 LYS 40 -11.194 -0.617 1.440 283 1HZ LYS 40 HZ2 LYS 40 -13.844 -1.083 1.338 284 2HZ LYS 40 HZ1 LYS 40 -13.646 0.033 0.072 285 3HZ LYS 40 HZ3 LYS 40 -12.755 -1.409 0.075 286 H LEU 41 HN LEU 41 -9.486 -1.656 5.845 287 HA LEU 41 HA LEU 41 -11.552 -2.765 7.453 288 1HB LEU 41 HB2 LEU 41 -8.725 -3.455 6.838 289 2HB LEU 41 HB1 LEU 41 -9.419 -4.195 8.281 290 HG LEU 41 HG LEU 41 -9.807 -5.638 6.337 291 1HD1 LEU 41 HD11 LEU 41 -11.747 -4.713 8.125 292 2HD1 LEU 41 HD13 LEU 41 -12.543 -4.654 6.552 293 3HD1 LEU 41 HD12 LEU 41 -11.852 -6.169 7.135 294 1HD2 LEU 41 HD23 LEU 41 -9.857 -3.448 4.829 295 2HD2 LEU 41 HD22 LEU 41 -10.728 -4.901 4.338 296 3HD2 LEU 41 HD21 LEU 41 -11.594 -3.571 5.107 297 H PHE 42 HN PHE 42 -8.965 -0.600 8.286 298 HA PHE 42 HA PHE 42 -9.056 -1.195 11.146 299 1HB PHE 42 HB2 PHE 42 -7.119 -0.130 9.675 300 2HB PHE 42 HB1 PHE 42 -7.939 1.374 10.091 301 HD1 PHE 42 HD2 PHE 42 -8.363 1.911 12.534 302 HD2 PHE 42 HD1 PHE 42 -5.787 -1.287 11.273 303 HE1 PHE 42 HE2 PHE 42 -7.328 1.857 14.786 304 HE2 PHE 42 HE1 PHE 42 -4.752 -1.340 13.527 305 HZ PHE 42 HZ PHE 42 -5.523 0.232 15.283 306 H LYS 43 HN LYS 43 -9.914 1.745 9.260 307 HA LYS 43 HA LYS 43 -11.485 2.756 11.511 308 1HB LYS 43 HB2 LYS 43 -10.615 3.756 8.872 309 2HB LYS 43 HB1 LYS 43 -12.183 4.353 9.410 310 1HG LYS 43 HG2 LYS 43 -10.459 5.861 10.223 311 2HG LYS 43 HG1 LYS 43 -11.132 4.982 11.596 312 1HD LYS 43 HD2 LYS 43 -9.254 3.462 11.634 313 2HD LYS 43 HD1 LYS 43 -8.625 4.127 10.126 314 1HE LYS 43 HE2 LYS 43 -8.602 6.394 11.417 315 2HE LYS 43 HE1 LYS 43 -8.681 5.383 12.859 316 1HZ LYS 43 HZ2 LYS 43 -6.645 5.138 10.711 317 2HZ LYS 43 HZ1 LYS 43 -6.396 5.892 12.213 318 3HZ LYS 43 HZ3 LYS 43 -6.706 4.228 12.144 319 H LYS 44 HN LYS 44 -12.166 0.265 9.601 320 HA LYS 44 HA LYS 44 -14.824 0.948 8.627 321 1HB LYS 44 HB2 LYS 44 -13.533 -0.849 7.587 322 2HB LYS 44 HB1 LYS 44 -13.490 -1.727 9.112 323 1HG LYS 44 HG2 LYS 44 -16.010 -1.777 9.062 324 2HG LYS 44 HG1 LYS 44 -15.934 -1.101 7.436 325 1HD LYS 44 HD2 LYS 44 -14.116 -3.279 7.502 326 2HD LYS 44 HD1 LYS 44 -15.612 -3.839 8.250 327 1HE LYS 44 HE2 LYS 44 -16.735 -3.794 6.286 328 2HE LYS 44 HE1 LYS 44 -16.072 -2.218 5.853 329 1HZ LYS 44 HZ2 LYS 44 -14.440 -4.682 5.730 330 2HZ LYS 44 HZ1 LYS 44 -15.407 -4.185 4.423 331 3HZ LYS 44 HZ3 LYS 44 -14.155 -3.185 4.977 332 H PHE 45 HN PHE 45 -13.501 0.138 11.638 333 HA PHE 45 HA PHE 45 -15.567 -1.315 12.912 334 1HB PHE 45 HB2 PHE 45 -13.168 -0.062 13.690 335 2HB PHE 45 HB1 PHE 45 -14.423 0.671 14.688 336 HD1 PHE 45 HD1 PHE 45 -13.703 -2.760 13.326 337 HD2 PHE 45 HD2 PHE 45 -14.731 -0.367 16.742 338 HE1 PHE 45 HE1 PHE 45 -13.773 -4.801 14.736 339 HE2 PHE 45 HE2 PHE 45 -14.802 -2.407 18.151 340 HZ PHE 45 HZ PHE 45 -14.323 -4.624 17.148 341 H THR 46 HN THR 46 -15.211 2.155 12.357 342 HA THR 46 HA THR 46 -17.831 2.821 12.128 343 HB THR 46 HB THR 46 -17.920 3.844 14.667 344 HG1 THR 46 HG1 THR 46 -16.294 2.745 15.547 345 1HG2 THR 46 HG23 THR 46 -19.103 1.510 13.270 346 2HG2 THR 46 HG22 THR 46 -19.274 1.530 15.026 347 3HG2 THR 46 HG21 THR 46 -19.897 2.871 14.063 348 H SER 47 HN SER 47 -15.329 3.702 11.229 349 HA SER 47 HA SER 47 -15.027 6.398 12.462 350 1HB SER 47 HB2 SER 47 -12.854 5.726 12.275 351 2HB SER 47 HB1 SER 47 -13.225 4.532 11.035 352 HG SER 47 HG SER 47 -13.189 7.346 10.626 353 H LYS 48 HN LYS 48 -14.401 5.379 9.112 354 HA LYS 48 HA LYS 48 -15.671 7.787 8.101 355 1HB LYS 48 HB2 LYS 48 -15.290 6.678 5.844 356 2HB LYS 48 HB1 LYS 48 -13.835 6.905 6.813 357 1HG LYS 48 HG2 LYS 48 -13.441 4.699 6.563 358 2HG LYS 48 HG1 LYS 48 -14.828 4.408 7.607 359 1HD LYS 48 HD2 LYS 48 -16.304 4.142 5.774 360 2HD LYS 48 HD1 LYS 48 -15.172 4.891 4.650 361 1HE LYS 48 HE2 LYS 48 -13.901 2.635 5.903 362 2HE LYS 48 HE1 LYS 48 -15.451 2.129 5.231 363 1HZ LYS 48 HZ2 LYS 48 -14.597 3.592 3.232 364 2HZ LYS 48 HZ1 LYS 48 -13.083 3.166 3.873 365 3HZ LYS 48 HZ3 LYS 48 -14.166 1.956 3.388 366 H ALA 49 HN ALA 49 -16.545 4.347 8.248 367 HA ALA 49 HA ALA 49 -19.241 4.570 8.648 368 1HB ALA 49 HB1 ALA 49 -18.511 5.383 5.913 369 2HB ALA 49 HB3 ALA 49 -19.807 4.190 5.997 370 3HB ALA 49 HB2 ALA 49 -19.971 5.730 6.840 371 H SER 50 HN SER 50 -17.003 2.649 8.870 372 HA SER 50 HA SER 50 -16.570 0.359 8.503 373 1HB SER 50 HB2 SER 50 -19.165 -0.664 8.221 374 2HB SER 50 HB1 SER 50 -18.251 -0.516 9.719 375 HG SER 50 HG SER 50 -19.197 1.437 10.093 No H/Q in entry = 375 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 16.212 10.648 5.960 2 2H ALA 1 HT3 ALA 1 17.192 11.941 5.467 3 3H ALA 1 HT2 ALA 1 17.553 10.361 4.955 4 HA ALA 1 HA ALA 1 18.669 9.875 6.803 5 1HB ALA 1 HB1 ALA 1 18.358 12.870 6.918 6 2HB ALA 1 HB3 ALA 1 19.258 12.019 8.173 7 3HB ALA 1 HB2 ALA 1 19.783 11.922 6.493 8 H GLU 2 HN GLU 2 18.284 9.052 8.837 9 HA GLU 2 HA GLU 2 16.957 8.425 10.678 10 1HB GLU 2 HB2 GLU 2 17.806 11.022 10.978 11 2HB GLU 2 HB1 GLU 2 16.061 11.189 11.179 12 1HG GLU 2 HG2 GLU 2 17.130 10.734 13.346 13 2HG GLU 2 HG1 GLU 2 16.095 9.386 12.876 14 H GLY 3 HN GLY 3 15.587 8.343 8.148 15 1HA GLY 3 HA2 GLY 3 12.816 8.607 9.153 16 2HA GLY 3 HA1 GLY 3 13.206 9.497 7.680 17 H ASP 4 HN ASP 4 14.704 7.865 6.197 18 HA ASP 4 HA ASP 4 12.833 5.697 5.523 19 1HB ASP 4 HB2 ASP 4 15.405 6.638 4.217 20 2HB ASP 4 HB1 ASP 4 14.360 5.374 3.568 21 H ASP 5 HN ASP 5 13.867 3.503 4.946 22 HA ASP 5 HA ASP 5 16.189 2.827 6.666 23 1HB ASP 5 HB2 ASP 5 14.689 0.708 7.304 24 2HB ASP 5 HB1 ASP 5 14.635 2.190 8.258 25 HA PRO 6 HA PRO 6 17.069 0.027 3.407 26 1HB PRO 6 HB2 PRO 6 18.384 -1.967 4.764 27 2HB PRO 6 HB1 PRO 6 19.090 -0.373 4.438 28 1HG PRO 6 HG2 PRO 6 18.039 -1.462 7.013 29 2HG PRO 6 HG1 PRO 6 19.239 -0.186 6.743 30 1HD PRO 6 HD2 PRO 6 16.500 0.202 7.428 31 2HD PRO 6 HD1 PRO 6 17.641 1.456 6.898 32 H ALA 7 HN ALA 7 14.374 -0.353 4.302 33 HA ALA 7 HA ALA 7 14.094 -3.257 3.786 34 1HB ALA 7 HB3 ALA 7 12.936 -1.771 6.151 35 2HB ALA 7 HB2 ALA 7 12.258 -3.293 5.573 36 3HB ALA 7 HB1 ALA 7 13.918 -3.236 6.166 37 H LYS 8 HN LYS 8 11.602 -1.007 4.885 38 HA LYS 8 HA LYS 8 9.825 -1.605 2.748 39 1HB LYS 8 HB2 LYS 8 8.757 -0.641 4.592 40 2HB LYS 8 HB1 LYS 8 10.008 0.582 4.806 41 1HG LYS 8 HG2 LYS 8 8.460 0.679 2.258 42 2HG LYS 8 HG1 LYS 8 7.609 1.160 3.728 43 1HD LYS 8 HD2 LYS 8 10.361 2.243 3.218 44 2HD LYS 8 HD1 LYS 8 8.988 2.949 2.365 45 1HE LYS 8 HE2 LYS 8 8.315 4.044 4.214 46 2HE LYS 8 HE1 LYS 8 8.367 2.563 5.171 47 1HZ LYS 8 HZ2 LYS 8 10.964 3.067 4.888 48 2HZ LYS 8 HZ1 LYS 8 10.358 4.654 4.880 49 3HZ LYS 8 HZ3 LYS 8 10.039 3.634 6.196 50 H ALA 9 HN ALA 9 12.411 0.765 3.019 51 HA ALA 9 HA ALA 9 11.750 2.532 0.933 52 1HB ALA 9 HB2 ALA 9 14.457 1.465 1.776 53 2HB ALA 9 HB1 ALA 9 14.239 2.808 0.655 54 3HB ALA 9 HB3 ALA 9 13.683 2.952 2.322 55 H ALA 10 HN ALA 10 14.364 0.219 0.307 56 HA ALA 10 HA ALA 10 14.025 0.131 -2.464 57 1HB ALA 10 HB3 ALA 10 15.103 -1.902 -0.521 58 2HB ALA 10 HB2 ALA 10 15.057 -2.230 -2.253 59 3HB ALA 10 HB1 ALA 10 15.993 -0.868 -1.638 60 H PHE 11 HN PHE 11 12.237 -1.639 0.010 61 HA PHE 11 HA PHE 11 11.072 -3.676 -1.474 62 1HB PHE 11 HB2 PHE 11 10.560 -2.588 0.985 63 2HB PHE 11 HB1 PHE 11 9.107 -2.127 0.095 64 HD1 PHE 11 HD1 PHE 11 11.381 -5.106 0.300 65 HD2 PHE 11 HD2 PHE 11 7.347 -3.639 0.208 66 HE1 PHE 11 HE1 PHE 11 10.535 -7.429 0.467 67 HE2 PHE 11 HE2 PHE 11 6.498 -5.963 0.377 68 HZ PHE 11 HZ PHE 11 8.092 -7.859 0.507 69 H ASP 12 HN ASP 12 9.851 -0.318 -1.268 70 HA ASP 12 HA ASP 12 7.886 -0.702 -3.339 71 1HB ASP 12 HB2 ASP 12 7.545 1.660 -3.229 72 2HB ASP 12 HB1 ASP 12 7.945 1.162 -1.586 73 H SER 13 HN SER 13 11.237 0.519 -3.338 74 HA SER 13 HA SER 13 11.289 1.307 -6.103 75 1HB SER 13 HB2 SER 13 13.187 1.020 -3.937 76 2HB SER 13 HB1 SER 13 13.871 0.393 -5.433 77 HG SER 13 HG SER 13 12.619 2.928 -5.096 78 H LEU 14 HN LEU 14 13.144 -1.472 -4.845 79 HA LEU 14 HA LEU 14 13.544 -2.913 -7.134 80 1HB LEU 14 HB2 LEU 14 13.566 -4.947 -5.795 81 2HB LEU 14 HB1 LEU 14 14.230 -3.629 -4.827 82 HG LEU 14 HG LEU 14 11.660 -3.355 -4.134 83 1HD1 LEU 14 HD13 LEU 14 11.736 -5.828 -5.588 84 2HD1 LEU 14 HD12 LEU 14 11.393 -6.179 -3.894 85 3HD1 LEU 14 HD11 LEU 14 10.359 -5.067 -4.793 86 1HD2 LEU 14 HD21 LEU 14 13.973 -4.793 -3.060 87 2HD2 LEU 14 HD23 LEU 14 12.838 -3.726 -2.235 88 3HD2 LEU 14 HD22 LEU 14 12.445 -5.431 -2.455 89 H GLN 15 HN GLN 15 10.468 -2.605 -5.421 90 HA GLN 15 HA GLN 15 9.031 -4.643 -6.779 91 1HB GLN 15 HB2 GLN 15 8.426 -2.428 -5.038 92 2HB GLN 15 HB1 GLN 15 7.282 -2.447 -6.381 93 1HG GLN 15 HG2 GLN 15 7.908 -5.070 -5.117 94 2HG GLN 15 HG1 GLN 15 6.927 -3.946 -4.176 95 1HE2 GLN 15 HE22 GLN 15 4.274 -5.527 -6.024 96 2HE2 GLN 15 HE21 GLN 15 5.133 -5.596 -4.560 97 H ALA 16 HN ALA 16 9.055 -1.127 -7.469 98 HA ALA 16 HA ALA 16 7.769 -1.284 -9.950 99 1HB ALA 16 HB1 ALA 16 8.683 0.760 -8.453 100 2HB ALA 16 HB3 ALA 16 9.899 0.739 -9.731 101 3HB ALA 16 HB2 ALA 16 8.196 0.950 -10.137 102 H SER 17 HN SER 17 10.830 -2.310 -9.120 103 HA SER 17 HA SER 17 11.992 -2.117 -11.800 104 1HB SER 17 HB2 SER 17 13.144 -2.286 -9.378 105 2HB SER 17 HB1 SER 17 13.127 -3.999 -9.785 106 HG SER 17 HG SER 17 13.981 -2.106 -11.681 107 H ALA 18 HN ALA 18 9.458 -3.556 -11.704 108 HA ALA 18 HA ALA 18 8.489 -5.613 -12.292 109 1HB ALA 18 HB2 ALA 18 10.921 -5.239 -13.982 110 2HB ALA 18 HB1 ALA 18 10.127 -6.813 -14.028 111 3HB ALA 18 HB3 ALA 18 9.228 -5.359 -14.462 112 H THR 19 HN THR 19 9.185 -6.081 -9.909 113 HA THR 19 HA THR 19 11.146 -8.345 -9.898 114 HB THR 19 HB THR 19 11.400 -6.297 -8.327 115 HG1 THR 19 HG1 THR 19 11.232 -8.735 -6.944 116 1HG2 THR 19 HG23 THR 19 8.881 -6.473 -7.725 117 2HG2 THR 19 HG22 THR 19 9.378 -7.785 -6.656 118 3HG2 THR 19 HG21 THR 19 10.021 -6.162 -6.416 119 H GLU 20 HN GLU 20 8.008 -8.043 -10.408 120 HA GLU 20 HA GLU 20 7.385 -10.639 -9.328 121 1HB GLU 20 HB2 GLU 20 7.078 -8.904 -7.433 122 2HB GLU 20 HB1 GLU 20 5.635 -8.447 -8.339 123 1HG GLU 20 HG2 GLU 20 4.960 -10.082 -6.727 124 2HG GLU 20 HG1 GLU 20 4.966 -10.877 -8.300 125 H TYR 21 HN TYR 21 5.827 -7.761 -10.332 126 HA TYR 21 HA TYR 21 4.990 -8.599 -12.877 127 1HB TYR 21 HB2 TYR 21 2.645 -9.218 -12.529 128 2HB TYR 21 HB1 TYR 21 3.684 -10.324 -11.634 129 HD1 TYR 21 HD1 TYR 21 1.657 -7.205 -11.266 130 HD2 TYR 21 HD2 TYR 21 3.450 -10.576 -9.308 131 HE1 TYR 21 HE1 TYR 21 0.510 -6.590 -9.158 132 HE2 TYR 21 HE2 TYR 21 2.307 -9.962 -7.200 133 HH TYR 21 HH TYR 21 0.060 -7.203 -7.065 134 H ILE 22 HN ILE 22 4.165 -6.757 -9.965 135 HA ILE 22 HA ILE 22 2.862 -4.738 -11.646 136 HB ILE 22 HB ILE 22 1.639 -5.001 -9.649 137 1HG1 ILE 22 HG12 ILE 22 3.408 -2.839 -8.594 138 2HG1 ILE 22 HG11 ILE 22 2.630 -2.579 -10.124 139 1HG2 ILE 22 HG22 ILE 22 4.350 -5.189 -8.446 140 2HG2 ILE 22 HG21 ILE 22 2.946 -4.805 -7.452 141 3HG2 ILE 22 HG23 ILE 22 3.003 -6.316 -8.346 142 1HD1 ILE 22 HD11 ILE 22 0.541 -3.586 -8.738 143 2HD1 ILE 22 HD13 ILE 22 1.423 -2.771 -7.450 144 3HD1 ILE 22 HD12 ILE 22 0.879 -1.864 -8.857 145 H GLY 23 HN GLY 23 5.943 -5.489 -10.866 146 1HA GLY 23 HA2 GLY 23 7.076 -3.007 -10.117 147 2HA GLY 23 HA1 GLY 23 7.889 -4.208 -11.129 148 H TYR 24 HN TYR 24 5.436 -4.012 -12.987 149 HA TYR 24 HA TYR 24 6.402 -2.506 -15.035 150 1HB TYR 24 HB2 TYR 24 4.462 -3.125 -16.075 151 2HB TYR 24 HB1 TYR 24 4.098 -3.956 -14.602 152 HD1 TYR 24 HD1 TYR 24 3.964 -0.283 -15.227 153 HD2 TYR 24 HD2 TYR 24 1.771 -3.876 -14.544 154 HE1 TYR 24 HE1 TYR 24 1.999 0.994 -14.935 155 HE2 TYR 24 HE2 TYR 24 -0.294 -2.550 -14.255 156 HH TYR 24 HH TYR 24 -0.197 1.017 -14.518 157 H ALA 25 HN ALA 25 5.048 -1.182 -12.071 158 HA ALA 25 HA ALA 25 6.123 1.170 -11.677 159 1HB ALA 25 HB1 ALA 25 4.715 1.606 -14.318 160 2HB ALA 25 HB3 ALA 25 5.209 2.935 -13.270 161 3HB ALA 25 HB2 ALA 25 6.422 1.850 -13.949 162 H TRP 26 HN TRP 26 4.133 -0.151 -10.376 163 HA TRP 26 HA TRP 26 2.270 1.990 -9.710 164 1HB TRP 26 HB2 TRP 26 0.310 0.422 -10.031 165 2HB TRP 26 HB1 TRP 26 0.998 1.120 -11.482 166 HD1 TRP 26 HD1 TRP 26 3.302 -0.706 -12.127 167 HE1 TRP 26 HE1 TRP 26 3.071 -3.127 -12.765 168 HE3 TRP 26 HE3 TRP 26 -1.162 -1.657 -10.027 169 HZ2 TRP 26 HZ2 TRP 26 1.203 -5.202 -12.534 170 HZ3 TRP 26 HZ3 TRP 26 -2.206 -3.896 -10.255 171 HH2 TRP 26 HH2 TRP 26 -1.013 -5.686 -11.498 172 H ALA 27 HN ALA 27 4.279 0.047 -8.570 173 HA ALA 27 HA ALA 27 2.880 -1.757 -6.943 174 1HB ALA 27 HB1 ALA 27 5.612 -0.504 -6.796 175 2HB ALA 27 HB3 ALA 27 5.021 -1.473 -5.446 176 3HB ALA 27 HB2 ALA 27 5.183 -2.196 -7.046 177 H MET 28 HN MET 28 3.963 1.558 -6.456 178 HA MET 28 HA MET 28 3.199 1.907 -3.812 179 1HB MET 28 HB2 MET 28 2.926 4.044 -5.911 180 2HB MET 28 HB1 MET 28 3.340 4.245 -4.208 181 1HG MET 28 HG2 MET 28 5.499 4.231 -4.881 182 2HG MET 28 HG1 MET 28 5.289 2.498 -5.129 183 1HE MET 28 HE1 MET 28 3.971 5.726 -6.726 184 2HE MET 28 HE3 MET 28 5.722 5.991 -6.738 185 3HE MET 28 HE2 MET 28 4.841 5.827 -8.255 186 H VAL 29 HN VAL 29 1.317 1.855 -6.745 187 HA VAL 29 HA VAL 29 -1.056 3.115 -5.886 188 HB VAL 29 HB VAL 29 -0.655 0.749 -7.737 189 1HG1 VAL 29 HG12 VAL 29 -2.967 0.812 -6.856 190 2HG1 VAL 29 HG11 VAL 29 -3.102 2.501 -7.345 191 3HG1 VAL 29 HG13 VAL 29 -2.921 1.241 -8.566 192 1HG2 VAL 29 HG22 VAL 29 -0.121 3.540 -7.957 193 2HG2 VAL 29 HG21 VAL 29 -0.002 2.314 -9.220 194 3HG2 VAL 29 HG23 VAL 29 -1.513 3.191 -8.982 195 H VAL 30 HN VAL 30 -0.128 -0.330 -5.585 196 HA VAL 30 HA VAL 30 -2.522 -1.058 -4.162 197 HB VAL 30 HB VAL 30 -0.803 -2.591 -5.375 198 1HG1 VAL 30 HG11 VAL 30 1.003 -1.602 -3.672 199 2HG1 VAL 30 HG13 VAL 30 0.428 -2.933 -2.671 200 3HG1 VAL 30 HG12 VAL 30 1.112 -3.257 -4.264 201 1HG2 VAL 30 HG21 VAL 30 -1.922 -3.295 -2.644 202 2HG2 VAL 30 HG23 VAL 30 -2.769 -3.435 -4.184 203 3HG2 VAL 30 HG22 VAL 30 -1.381 -4.469 -3.843 204 H VAL 31 HN VAL 31 0.649 0.145 -3.157 205 HA VAL 31 HA VAL 31 0.483 -0.417 -0.380 206 HB VAL 31 HB VAL 31 1.692 1.979 -1.793 207 1HG1 VAL 31 HG13 VAL 31 1.201 1.690 0.928 208 2HG1 VAL 31 HG12 VAL 31 2.865 1.134 0.752 209 3HG1 VAL 31 HG11 VAL 31 2.413 2.750 0.209 210 1HG2 VAL 31 HG23 VAL 31 2.848 -0.663 -0.840 211 2HG2 VAL 31 HG22 VAL 31 2.646 -0.156 -2.517 212 3HG2 VAL 31 HG21 VAL 31 3.803 0.676 -1.477 213 H ILE 32 HN ILE 32 -0.415 2.671 -1.994 214 HA ILE 32 HA ILE 32 -1.668 3.774 0.299 215 HB ILE 32 HB ILE 32 -1.104 5.137 -1.548 216 1HG1 ILE 32 HG12 ILE 32 -3.969 5.444 -1.900 217 2HG1 ILE 32 HG11 ILE 32 -3.514 5.228 -0.209 218 1HG2 ILE 32 HG23 ILE 32 -1.722 3.205 -3.207 219 2HG2 ILE 32 HG22 ILE 32 -3.287 4.016 -3.230 220 3HG2 ILE 32 HG21 ILE 32 -1.836 4.883 -3.736 221 1HD1 ILE 32 HD11 ILE 32 -1.635 7.017 -1.416 222 2HD1 ILE 32 HD13 ILE 32 -3.260 7.579 -1.805 223 3HD1 ILE 32 HD12 ILE 32 -2.786 7.353 -0.122 224 H VAL 33 HN VAL 33 -3.133 2.077 -2.499 225 HA VAL 33 HA VAL 33 -5.781 2.222 -1.627 226 HB VAL 33 HB VAL 33 -4.439 -0.237 -2.821 227 1HG1 VAL 33 HG13 VAL 33 -6.760 -0.504 -1.844 228 2HG1 VAL 33 HG12 VAL 33 -7.318 0.685 -3.020 229 3HG1 VAL 33 HG11 VAL 33 -6.646 -0.850 -3.569 230 1HG2 VAL 33 HG22 VAL 33 -4.401 2.227 -3.933 231 2HG2 VAL 33 HG21 VAL 33 -4.549 0.754 -4.892 232 3HG2 VAL 33 HG23 VAL 33 -5.988 1.687 -4.482 233 H GLY 34 HN GLY 34 -3.102 0.530 -0.241 234 1HA GLY 34 HA2 GLY 34 -4.671 -1.283 1.398 235 2HA GLY 34 HA1 GLY 34 -3.002 -0.778 1.724 236 H ALA 35 HN ALA 35 -3.128 1.876 1.904 237 HA ALA 35 HA ALA 35 -4.260 2.366 4.495 238 1HB ALA 35 HB1 ALA 35 -2.354 3.596 3.078 239 2HB ALA 35 HB3 ALA 35 -3.704 4.652 2.658 240 3HB ALA 35 HB2 ALA 35 -3.248 4.432 4.348 241 H THR 36 HN THR 36 -5.291 3.693 1.245 242 HA THR 36 HA THR 36 -7.580 5.054 2.161 243 HB THR 36 HB THR 36 -7.755 3.531 -0.409 244 HG1 THR 36 HG1 THR 36 -5.888 4.223 -1.018 245 1HG2 THR 36 HG22 THR 36 -8.270 6.387 0.456 246 2HG2 THR 36 HG21 THR 36 -8.489 5.794 -1.191 247 3HG2 THR 36 HG23 THR 36 -9.483 5.152 0.117 248 H ILE 37 HN ILE 37 -7.621 1.812 0.676 249 HA ILE 37 HA ILE 37 -10.274 1.161 1.461 250 HB ILE 37 HB ILE 37 -7.955 -0.746 1.110 251 1HG1 ILE 37 HG12 ILE 37 -8.039 0.700 -0.825 252 2HG1 ILE 37 HG11 ILE 37 -8.803 -0.824 -1.279 253 1HG2 ILE 37 HG21 ILE 37 -10.159 -1.596 2.068 254 2HG2 ILE 37 HG23 ILE 37 -10.903 -1.150 0.532 255 3HG2 ILE 37 HG22 ILE 37 -9.637 -2.377 0.576 256 1HD1 ILE 37 HD13 ILE 37 -10.908 0.642 -0.225 257 2HD1 ILE 37 HD12 ILE 37 -9.969 1.856 -1.094 258 3HD1 ILE 37 HD11 ILE 37 -10.566 0.429 -1.942 259 H GLY 38 HN GLY 38 -7.433 1.391 3.311 260 1HA GLY 38 HA2 GLY 38 -8.059 -0.521 5.377 261 2HA GLY 38 HA1 GLY 38 -6.913 0.816 5.531 262 H ILE 39 HN ILE 39 -8.032 3.044 5.565 263 HA ILE 39 HA ILE 39 -9.875 3.080 7.773 264 HB ILE 39 HB ILE 39 -8.284 4.936 7.226 265 1HG1 ILE 39 HG12 ILE 39 -10.953 6.225 7.001 266 2HG1 ILE 39 HG11 ILE 39 -10.753 5.095 8.342 267 1HG2 ILE 39 HG21 ILE 39 -10.022 5.021 4.787 268 2HG2 ILE 39 HG23 ILE 39 -9.358 6.532 5.405 269 3HG2 ILE 39 HG22 ILE 39 -8.278 5.224 4.924 270 1HD1 ILE 39 HD12 ILE 39 -8.485 6.943 7.946 271 2HD1 ILE 39 HD11 ILE 39 -9.993 7.722 8.428 272 3HD1 ILE 39 HD13 ILE 39 -9.292 6.455 9.436 273 H LYS 40 HN LYS 40 -10.255 2.407 4.463 274 HA LYS 40 HA LYS 40 -12.885 3.609 4.095 275 1HB LYS 40 HB2 LYS 40 -11.248 2.793 2.276 276 2HB LYS 40 HB1 LYS 40 -11.847 1.173 2.638 277 1HG LYS 40 HG2 LYS 40 -14.089 2.945 2.386 278 2HG LYS 40 HG1 LYS 40 -13.051 3.141 0.974 279 1HD LYS 40 HD2 LYS 40 -13.926 1.239 0.149 280 2HD LYS 40 HD1 LYS 40 -13.134 0.370 1.465 281 1HE LYS 40 HE2 LYS 40 -15.125 0.884 2.912 282 2HE LYS 40 HE1 LYS 40 -15.922 1.555 1.489 283 1HZ LYS 40 HZ1 LYS 40 -15.515 -0.629 0.393 284 2HZ LYS 40 HZ3 LYS 40 -15.006 -1.236 1.892 285 3HZ LYS 40 HZ2 LYS 40 -16.603 -0.689 1.696 286 H LEU 41 HN LEU 41 -11.969 0.151 4.365 287 HA LEU 41 HA LEU 41 -14.625 -0.714 5.001 288 1HB LEU 41 HB2 LEU 41 -12.659 -2.142 4.174 289 2HB LEU 41 HB1 LEU 41 -12.091 -2.134 5.844 290 HG LEU 41 HG LEU 41 -14.953 -2.796 5.498 291 1HD1 LEU 41 HD11 LEU 41 -13.191 -3.987 3.712 292 2HD1 LEU 41 HD13 LEU 41 -13.273 -5.149 5.037 293 3HD1 LEU 41 HD12 LEU 41 -14.748 -4.646 4.213 294 1HD2 LEU 41 HD22 LEU 41 -12.632 -4.009 7.034 295 2HD2 LEU 41 HD21 LEU 41 -13.831 -2.887 7.676 296 3HD2 LEU 41 HD23 LEU 41 -14.315 -4.512 7.189 297 H PHE 42 HN PHE 42 -11.835 0.146 7.035 298 HA PHE 42 HA PHE 42 -12.950 -0.597 9.544 299 1HB PHE 42 HB2 PHE 42 -10.714 1.011 8.590 300 2HB PHE 42 HB1 PHE 42 -11.450 1.717 10.029 301 HD1 PHE 42 HD1 PHE 42 -11.417 -1.889 9.156 302 HD2 PHE 42 HD2 PHE 42 -9.762 1.190 11.653 303 HE1 PHE 42 HE1 PHE 42 -10.325 -3.615 10.560 304 HE2 PHE 42 HE2 PHE 42 -8.670 -0.538 13.058 305 HZ PHE 42 HZ PHE 42 -8.952 -2.941 12.511 306 H LYS 43 HN LYS 43 -12.868 2.656 8.052 307 HA LYS 43 HA LYS 43 -14.493 4.012 9.872 308 1HB LYS 43 HB2 LYS 43 -13.434 5.175 8.012 309 2HB LYS 43 HB1 LYS 43 -14.424 4.288 6.853 310 1HG LYS 43 HG2 LYS 43 -16.218 5.633 7.179 311 2HG LYS 43 HG1 LYS 43 -15.994 5.649 8.929 312 1HD LYS 43 HD2 LYS 43 -15.119 7.714 8.789 313 2HD LYS 43 HD1 LYS 43 -13.816 7.081 7.782 314 1HE LYS 43 HE2 LYS 43 -16.540 7.938 6.760 315 2HE LYS 43 HE1 LYS 43 -15.068 8.903 6.644 316 1HZ LYS 43 HZ2 LYS 43 -14.412 6.415 5.662 317 2HZ LYS 43 HZ1 LYS 43 -15.938 6.761 4.999 318 3HZ LYS 43 HZ3 LYS 43 -14.649 7.837 4.763 319 H LYS 44 HN LYS 44 -15.464 1.746 7.336 320 HA LYS 44 HA LYS 44 -18.300 2.302 7.556 321 1HB LYS 44 HB2 LYS 44 -16.574 0.476 6.084 322 2HB LYS 44 HB1 LYS 44 -18.022 -0.340 6.675 323 1HG LYS 44 HG2 LYS 44 -18.581 0.579 4.529 324 2HG LYS 44 HG1 LYS 44 -19.366 1.596 5.736 325 1HD LYS 44 HD2 LYS 44 -17.099 2.958 5.594 326 2HD LYS 44 HD1 LYS 44 -17.000 2.199 4.004 327 1HE LYS 44 HE2 LYS 44 -19.573 3.490 4.844 328 2HE LYS 44 HE1 LYS 44 -18.245 4.507 4.285 329 1HZ LYS 44 HZ3 LYS 44 -18.389 2.403 2.511 330 2HZ LYS 44 HZ2 LYS 44 -20.000 2.871 2.776 331 3HZ LYS 44 HZ1 LYS 44 -18.860 4.007 2.232 332 H PHE 45 HN PHE 45 -16.097 -0.023 9.049 333 HA PHE 45 HA PHE 45 -17.937 -1.696 10.357 334 1HB PHE 45 HB2 PHE 45 -15.277 -1.622 10.325 335 2HB PHE 45 HB1 PHE 45 -15.515 -0.783 11.859 336 HD1 PHE 45 HD2 PHE 45 -16.942 -1.892 13.652 337 HD2 PHE 45 HD1 PHE 45 -15.546 -3.970 10.163 338 HE1 PHE 45 HE2 PHE 45 -17.367 -4.062 14.775 339 HE2 PHE 45 HE1 PHE 45 -15.971 -6.140 11.284 340 HZ PHE 45 HZ PHE 45 -16.881 -6.187 13.591 341 H THR 46 HN THR 46 -16.771 1.505 11.344 342 HA THR 46 HA THR 46 -18.063 1.502 13.838 343 HB THR 46 HB THR 46 -17.388 3.752 14.035 344 HG1 THR 46 HG1 THR 46 -17.846 4.989 12.425 345 1HG2 THR 46 HG21 THR 46 -15.560 1.953 13.542 346 2HG2 THR 46 HG23 THR 46 -15.394 2.796 12.002 347 3HG2 THR 46 HG22 THR 46 -15.110 3.659 13.513 348 H SER 47 HN SER 47 -18.987 2.485 10.608 349 HA SER 47 HA SER 47 -21.795 2.710 11.551 350 1HB SER 47 HB2 SER 47 -20.126 4.950 10.740 351 2HB SER 47 HB1 SER 47 -21.545 4.799 9.707 352 HG SER 47 HG SER 47 -21.970 6.042 11.583 353 H LYS 48 HN LYS 48 -23.151 1.747 10.101 354 HA LYS 48 HA LYS 48 -23.916 0.762 8.122 355 1HB LYS 48 HB2 LYS 48 -22.265 3.006 7.306 356 2HB LYS 48 HB1 LYS 48 -22.189 1.686 6.140 357 1HG LYS 48 HG2 LYS 48 -24.572 1.661 5.873 358 2HG LYS 48 HG1 LYS 48 -24.798 2.733 7.256 359 1HD LYS 48 HD2 LYS 48 -23.260 4.360 5.845 360 2HD LYS 48 HD1 LYS 48 -23.835 3.383 4.493 361 1HE LYS 48 HE2 LYS 48 -26.104 3.941 4.911 362 2HE LYS 48 HE1 LYS 48 -25.740 4.556 6.522 363 1HZ LYS 48 HZ1 LYS 48 -24.536 5.783 4.124 364 2HZ LYS 48 HZ3 LYS 48 -26.090 6.227 4.636 365 3HZ LYS 48 HZ2 LYS 48 -24.759 6.457 5.667 366 H ALA 49 HN ALA 49 -21.642 -0.277 9.762 367 HA ALA 49 HA ALA 49 -19.521 -1.422 8.435 368 1HB ALA 49 HB2 ALA 49 -20.624 -1.859 10.858 369 2HB ALA 49 HB1 ALA 49 -21.118 -3.346 10.047 370 3HB ALA 49 HB3 ALA 49 -19.408 -2.930 10.162 371 H SER 50 HN SER 50 -19.792 -1.978 6.272 372 HA SER 50 HA SER 50 -21.736 -4.192 5.730 373 1HB SER 50 HB2 SER 50 -21.027 -1.751 4.141 374 2HB SER 50 HB1 SER 50 -21.490 -3.218 3.284 375 HG SER 50 HG SER 50 -23.474 -3.000 3.991 No H/Q in entry = 375 Start of MODEL 19 1 1H ALA 1 HT2 ALA 1 -13.373 20.949 0.535 2 2H ALA 1 HT1 ALA 1 -11.932 21.836 0.694 3 3H ALA 1 HT3 ALA 1 -11.870 20.177 0.353 4 HA ALA 1 HA ALA 1 -11.350 20.403 2.635 5 1HB ALA 1 HB2 ALA 1 -12.782 22.715 2.500 6 2HB ALA 1 HB1 ALA 1 -13.928 21.675 3.346 7 3HB ALA 1 HB3 ALA 1 -12.319 21.941 4.015 8 H GLU 2 HN GLU 2 -12.447 18.370 1.120 9 HA GLU 2 HA GLU 2 -14.641 17.342 2.875 10 1HB GLU 2 HB2 GLU 2 -14.416 17.494 0.010 11 2HB GLU 2 HB1 GLU 2 -14.495 15.801 0.499 12 1HG GLU 2 HG2 GLU 2 -16.370 17.545 1.948 13 2HG GLU 2 HG1 GLU 2 -16.678 17.449 0.214 14 H GLY 3 HN GLY 3 -14.353 15.310 3.796 15 1HA GLY 3 HA2 GLY 3 -11.719 13.994 3.243 16 2HA GLY 3 HA1 GLY 3 -12.452 14.043 4.848 17 H ASP 4 HN ASP 4 -13.908 13.307 1.669 18 HA ASP 4 HA ASP 4 -15.257 10.976 2.832 19 1HB ASP 4 HB2 ASP 4 -15.702 12.697 0.626 20 2HB ASP 4 HB1 ASP 4 -15.437 11.087 -0.044 21 H ASP 5 HN ASP 5 -15.168 8.902 1.371 22 HA ASP 5 HA ASP 5 -12.300 8.388 0.680 23 1HB ASP 5 HB2 ASP 5 -14.279 6.738 2.240 24 2HB ASP 5 HB1 ASP 5 -12.953 5.954 1.378 25 HA PRO 6 HA PRO 6 -15.007 7.389 -2.921 26 1HB PRO 6 HB2 PRO 6 -13.667 8.979 -4.717 27 2HB PRO 6 HB1 PRO 6 -15.033 9.544 -3.738 28 1HG PRO 6 HG2 PRO 6 -12.120 10.133 -3.405 29 2HG PRO 6 HG1 PRO 6 -13.522 11.095 -2.902 30 1HD PRO 6 HD2 PRO 6 -11.943 9.450 -1.209 31 2HD PRO 6 HD1 PRO 6 -13.520 10.160 -0.807 32 H ALA 7 HN ALA 7 -11.646 8.275 -3.747 33 HA ALA 7 HA ALA 7 -11.269 5.826 -5.253 34 1HB ALA 7 HB1 ALA 7 -9.995 8.313 -5.102 35 2HB ALA 7 HB3 ALA 7 -8.798 7.164 -4.504 36 3HB ALA 7 HB2 ALA 7 -9.507 6.945 -6.104 37 H LYS 8 HN LYS 8 -10.688 6.800 -1.955 38 HA LYS 8 HA LYS 8 -8.776 4.689 -1.363 39 1HB LYS 8 HB2 LYS 8 -10.364 6.663 0.238 40 2HB LYS 8 HB1 LYS 8 -9.685 5.263 1.068 41 1HG LYS 8 HG2 LYS 8 -7.509 5.941 0.731 42 2HG LYS 8 HG1 LYS 8 -7.888 6.758 -0.786 43 1HD LYS 8 HD2 LYS 8 -8.628 7.742 1.987 44 2HD LYS 8 HD1 LYS 8 -7.352 8.404 0.964 45 1HE LYS 8 HE2 LYS 8 -9.262 8.684 -0.801 46 2HE LYS 8 HE1 LYS 8 -10.333 8.549 0.593 47 1HZ LYS 8 HZ2 LYS 8 -8.762 10.304 1.607 48 2HZ LYS 8 HZ1 LYS 8 -8.322 10.612 -0.005 49 3HZ LYS 8 HZ3 LYS 8 -9.935 10.799 0.481 50 H ALA 9 HN ALA 9 -12.170 5.159 -0.312 51 HA ALA 9 HA ALA 9 -12.646 2.640 0.760 52 1HB ALA 9 HB2 ALA 9 -14.267 4.608 0.592 53 2HB ALA 9 HB1 ALA 9 -14.642 4.038 -1.034 54 3HB ALA 9 HB3 ALA 9 -14.974 3.010 0.360 55 H ALA 10 HN ALA 10 -13.045 3.558 -2.689 56 HA ALA 10 HA ALA 10 -13.732 0.940 -3.591 57 1HB ALA 10 HB1 ALA 10 -13.041 3.473 -4.801 58 2HB ALA 10 HB3 ALA 10 -12.257 2.147 -5.660 59 3HB ALA 10 HB2 ALA 10 -14.010 2.156 -5.459 60 H PHE 11 HN PHE 11 -10.572 2.523 -3.157 61 HA PHE 11 HA PHE 11 -8.883 0.675 -4.367 62 1HB PHE 11 HB2 PHE 11 -8.559 2.728 -2.509 63 2HB PHE 11 HB1 PHE 11 -7.963 1.301 -1.663 64 HD1 PHE 11 HD1 PHE 11 -7.699 3.140 -4.910 65 HD2 PHE 11 HD2 PHE 11 -5.838 0.416 -2.160 66 HE1 PHE 11 HE1 PHE 11 -5.615 3.211 -6.251 67 HE2 PHE 11 HE2 PHE 11 -3.753 0.487 -3.501 68 HZ PHE 11 HZ PHE 11 -3.642 1.885 -5.546 69 H ASP 12 HN ASP 12 -10.251 0.447 -1.073 70 HA ASP 12 HA ASP 12 -9.256 -2.199 -0.558 71 1HB ASP 12 HB2 ASP 12 -11.314 -0.396 0.635 72 2HB ASP 12 HB1 ASP 12 -11.437 -2.114 1.013 73 H SER 13 HN SER 13 -12.193 -0.966 -2.101 74 HA SER 13 HA SER 13 -13.468 -3.577 -2.305 75 1HB SER 13 HB2 SER 13 -14.180 -0.864 -2.833 76 2HB SER 13 HB1 SER 13 -14.437 -1.782 -4.314 77 HG SER 13 HG SER 13 -15.309 -2.681 -1.772 78 H LEU 14 HN LEU 14 -12.690 -1.469 -5.073 79 HA LEU 14 HA LEU 14 -12.507 -3.322 -7.077 80 1HB LEU 14 HB2 LEU 14 -10.877 -1.873 -8.197 81 2HB LEU 14 HB1 LEU 14 -12.097 -0.895 -7.380 82 HG LEU 14 HG LEU 14 -10.281 -1.149 -5.381 83 1HD1 LEU 14 HD13 LEU 14 -8.934 -2.026 -7.747 84 2HD1 LEU 14 HD12 LEU 14 -8.249 -0.473 -7.269 85 3HD1 LEU 14 HD11 LEU 14 -8.270 -1.817 -6.128 86 1HD2 LEU 14 HD21 LEU 14 -11.245 0.868 -7.060 87 2HD2 LEU 14 HD23 LEU 14 -10.269 1.101 -5.609 88 3HD2 LEU 14 HD22 LEU 14 -9.491 1.002 -7.189 89 H GLN 15 HN GLN 15 -10.209 -3.071 -4.429 90 HA GLN 15 HA GLN 15 -8.208 -4.718 -5.738 91 1HB GLN 15 HB2 GLN 15 -8.547 -3.527 -2.996 92 2HB GLN 15 HB1 GLN 15 -7.361 -4.795 -3.259 93 1HG GLN 15 HG2 GLN 15 -7.025 -3.011 -5.407 94 2HG GLN 15 HG1 GLN 15 -7.198 -2.000 -3.973 95 1HE2 GLN 15 HE22 GLN 15 -4.079 -4.700 -4.033 96 2HE2 GLN 15 HE21 GLN 15 -5.518 -5.079 -4.856 97 H ALA 16 HN ALA 16 -10.269 -5.107 -2.840 98 HA ALA 16 HA ALA 16 -9.947 -7.867 -2.537 99 1HB ALA 16 HB1 ALA 16 -11.240 -6.055 -1.105 100 2HB ALA 16 HB3 ALA 16 -12.620 -6.705 -1.989 101 3HB ALA 16 HB2 ALA 16 -11.640 -7.767 -0.978 102 H SER 17 HN SER 17 -11.509 -6.249 -4.998 103 HA SER 17 HA SER 17 -13.358 -8.388 -5.698 104 1HB SER 17 HB2 SER 17 -13.162 -5.676 -6.346 105 2HB SER 17 HB1 SER 17 -12.823 -6.520 -7.854 106 HG SER 17 HG SER 17 -14.800 -7.329 -7.854 107 H ALA 18 HN ALA 18 -10.241 -8.556 -5.717 108 HA ALA 18 HA ALA 18 -8.696 -9.861 -6.903 109 1HB ALA 18 HB2 ALA 18 -10.909 -11.262 -7.182 110 2HB ALA 18 HB1 ALA 18 -10.857 -10.653 -8.837 111 3HB ALA 18 HB3 ALA 18 -9.518 -11.616 -8.209 112 H THR 19 HN THR 19 -8.040 -7.562 -7.545 113 HA THR 19 HA THR 19 -8.411 -7.214 -10.496 114 HB THR 19 HB THR 19 -9.445 -5.438 -8.971 115 HG1 THR 19 HG1 THR 19 -8.909 -5.065 -11.161 116 1HG2 THR 19 HG23 THR 19 -7.383 -5.499 -7.433 117 2HG2 THR 19 HG22 THR 19 -6.590 -4.514 -8.662 118 3HG2 THR 19 HG21 THR 19 -8.029 -3.910 -7.842 119 H GLU 20 HN GLU 20 -6.130 -6.990 -7.780 120 HA GLU 20 HA GLU 20 -3.936 -6.792 -9.766 121 1HB GLU 20 HB2 GLU 20 -2.621 -5.640 -8.204 122 2HB GLU 20 HB1 GLU 20 -4.229 -4.996 -7.925 123 1HG GLU 20 HG2 GLU 20 -4.520 -6.262 -5.948 124 2HG GLU 20 HG1 GLU 20 -3.191 -7.352 -6.348 125 H TYR 21 HN TYR 21 -5.188 -8.482 -7.177 126 HA TYR 21 HA TYR 21 -4.484 -11.035 -7.544 127 1HB TYR 21 HB2 TYR 21 -2.297 -11.483 -6.540 128 2HB TYR 21 HB1 TYR 21 -2.078 -10.378 -7.881 129 HD1 TYR 21 HD2 TYR 21 -2.603 -10.451 -4.182 130 HD2 TYR 21 HD1 TYR 21 -0.975 -8.312 -7.533 131 HE1 TYR 21 HE2 TYR 21 -1.543 -8.830 -2.632 132 HE2 TYR 21 HE1 TYR 21 0.089 -6.696 -5.979 133 HH TYR 21 HH TYR 21 -0.574 -5.959 -3.343 134 H ILE 22 HN ILE 22 -4.642 -8.336 -5.375 135 HA ILE 22 HA ILE 22 -5.253 -10.286 -3.220 136 HB ILE 22 HB ILE 22 -3.793 -8.901 -2.124 137 1HG1 ILE 22 HG12 ILE 22 -6.402 -8.375 -1.404 138 2HG1 ILE 22 HG11 ILE 22 -4.993 -7.795 -0.529 139 1HG2 ILE 22 HG22 ILE 22 -3.403 -7.619 -4.187 140 2HG2 ILE 22 HG21 ILE 22 -4.714 -6.555 -3.719 141 3HG2 ILE 22 HG23 ILE 22 -3.280 -6.673 -2.707 142 1HD1 ILE 22 HD13 ILE 22 -6.434 -6.265 -2.720 143 2HD1 ILE 22 HD12 ILE 22 -6.576 -5.945 -1.001 144 3HD1 ILE 22 HD11 ILE 22 -5.042 -5.696 -1.828 145 H GLY 23 HN GLY 23 -7.271 -10.762 -4.307 146 1HA GLY 23 HA2 GLY 23 -9.284 -8.609 -4.006 147 2HA GLY 23 HA1 GLY 23 -9.527 -10.090 -4.920 148 H TYR 24 HN TYR 24 -7.938 -10.153 -1.840 149 HA TYR 24 HA TYR 24 -10.183 -11.746 -0.767 150 1HB TYR 24 HB2 TYR 24 -7.538 -11.335 0.691 151 2HB TYR 24 HB1 TYR 24 -8.669 -12.680 0.814 152 HD1 TYR 24 HD1 TYR 24 -8.853 -12.491 -2.488 153 HD2 TYR 24 HD2 TYR 24 -5.792 -13.102 0.455 154 HE1 TYR 24 HE1 TYR 24 -7.489 -13.679 -4.145 155 HE2 TYR 24 HE2 TYR 24 -4.430 -14.299 -1.200 156 HH TYR 24 HH TYR 24 -4.312 -15.067 -3.284 157 H ALA 25 HN ALA 25 -9.114 -8.569 -0.839 158 HA ALA 25 HA ALA 25 -10.138 -6.725 0.252 159 1HB ALA 25 HB2 ALA 25 -11.805 -8.750 1.067 160 2HB ALA 25 HB1 ALA 25 -11.137 -8.192 2.601 161 3HB ALA 25 HB3 ALA 25 -11.975 -7.060 1.540 162 H TRP 26 HN TRP 26 -7.475 -7.846 0.684 163 HA TRP 26 HA TRP 26 -7.035 -6.634 3.375 164 1HB TRP 26 HB2 TRP 26 -5.846 -8.398 4.141 165 2HB TRP 26 HB1 TRP 26 -6.928 -9.260 3.064 166 HD1 TRP 26 HD1 TRP 26 -3.396 -8.526 3.663 167 HE1 TRP 26 HE1 TRP 26 -1.923 -9.627 1.868 168 HE3 TRP 26 HE3 TRP 26 -6.843 -9.743 0.339 169 HZ2 TRP 26 HZ2 TRP 26 -2.266 -10.914 -0.601 170 HZ3 TRP 26 HZ3 TRP 26 -6.300 -10.896 -1.747 171 HH2 TRP 26 HH2 TRP 26 -3.967 -11.478 -2.234 172 H ALA 27 HN ALA 27 -6.824 -5.486 0.925 173 HA ALA 27 HA ALA 27 -4.282 -5.443 -0.248 174 1HB ALA 27 HB1 ALA 27 -6.675 -4.097 -0.659 175 2HB ALA 27 HB3 ALA 27 -5.559 -2.817 -0.185 176 3HB ALA 27 HB2 ALA 27 -5.184 -3.845 -1.567 177 H MET 28 HN MET 28 -5.453 -4.078 2.716 178 HA MET 28 HA MET 28 -3.676 -2.056 3.260 179 1HB MET 28 HB2 MET 28 -3.685 -2.942 5.663 180 2HB MET 28 HB1 MET 28 -5.267 -2.610 4.956 181 1HG MET 28 HG2 MET 28 -5.850 -4.812 4.906 182 2HG MET 28 HG1 MET 28 -4.225 -5.331 4.454 183 1HE MET 28 HE2 MET 28 -6.607 -4.110 7.070 184 2HE MET 28 HE1 MET 28 -6.746 -5.866 7.086 185 3HE MET 28 HE3 MET 28 -6.164 -5.007 8.520 186 H VAL 29 HN VAL 29 -3.103 -5.420 2.925 187 HA VAL 29 HA VAL 29 -0.578 -5.742 4.107 188 HB VAL 29 HB VAL 29 -2.342 -7.253 2.234 189 1HG1 VAL 29 HG12 VAL 29 0.697 -7.366 1.850 190 2HG1 VAL 29 HG11 VAL 29 -0.384 -8.678 1.381 191 3HG1 VAL 29 HG13 VAL 29 -0.538 -7.093 0.620 192 1HG2 VAL 29 HG21 VAL 29 -0.161 -8.026 4.247 193 2HG2 VAL 29 HG23 VAL 29 -1.882 -7.859 4.590 194 3HG2 VAL 29 HG22 VAL 29 -1.316 -9.140 3.522 195 H VAL 30 HN VAL 30 -1.303 -5.157 0.636 196 HA VAL 30 HA VAL 30 1.405 -4.680 -0.123 197 HB VAL 30 HB VAL 30 -0.602 -5.116 -1.650 198 1HG1 VAL 30 HG12 VAL 30 -1.636 -2.891 -0.435 199 2HG1 VAL 30 HG11 VAL 30 -1.000 -2.202 -1.929 200 3HG1 VAL 30 HG13 VAL 30 -2.180 -3.511 -1.992 201 1HG2 VAL 30 HG21 VAL 30 1.817 -4.042 -2.165 202 2HG2 VAL 30 HG23 VAL 30 0.604 -4.281 -3.424 203 3HG2 VAL 30 HG22 VAL 30 0.799 -2.695 -2.677 204 H VAL 31 HN VAL 31 -1.021 -2.570 1.296 205 HA VAL 31 HA VAL 31 0.160 -0.057 0.682 206 HB VAL 31 HB VAL 31 -1.513 -1.022 3.011 207 1HG1 VAL 31 HG12 VAL 31 0.083 1.399 2.814 208 2HG1 VAL 31 HG11 VAL 31 -1.636 1.779 2.919 209 3HG1 VAL 31 HG13 VAL 31 -0.870 0.801 4.172 210 1HG2 VAL 31 HG21 VAL 31 -2.288 -0.619 0.506 211 2HG2 VAL 31 HG23 VAL 31 -3.302 -0.101 1.853 212 3HG2 VAL 31 HG22 VAL 31 -2.289 1.072 1.011 213 H ILE 32 HN ILE 32 0.411 -1.769 3.830 214 HA ILE 32 HA ILE 32 2.580 -0.213 4.748 215 HB ILE 32 HB ILE 32 1.358 -1.518 6.259 216 1HG1 ILE 32 HG12 ILE 32 3.958 -2.979 6.192 217 2HG1 ILE 32 HG11 ILE 32 3.935 -1.239 6.481 218 1HG2 ILE 32 HG23 ILE 32 1.127 -3.395 4.369 219 2HG2 ILE 32 HG22 ILE 32 2.400 -4.120 5.349 220 3HG2 ILE 32 HG21 ILE 32 0.840 -3.736 6.075 221 1HD1 ILE 32 HD13 ILE 32 1.919 -2.350 8.132 222 2HD1 ILE 32 HD12 ILE 32 3.343 -3.373 8.322 223 3HD1 ILE 32 HD11 ILE 32 3.453 -1.642 8.640 224 H VAL 33 HN VAL 33 2.695 -3.519 3.333 225 HA VAL 33 HA VAL 33 5.466 -3.784 3.353 226 HB VAL 33 HB VAL 33 3.619 -4.555 1.059 227 1HG1 VAL 33 HG13 VAL 33 6.340 -4.611 1.050 228 2HG1 VAL 33 HG12 VAL 33 5.991 -6.186 1.762 229 3HG1 VAL 33 HG11 VAL 33 5.339 -5.772 0.177 230 1HG2 VAL 33 HG22 VAL 33 3.471 -5.368 3.699 231 2HG2 VAL 33 HG21 VAL 33 2.873 -6.291 2.320 232 3HG2 VAL 33 HG23 VAL 33 4.480 -6.617 2.971 233 H GLY 34 HN GLY 34 3.509 -1.584 1.529 234 1HA GLY 34 HA2 GLY 34 5.509 -0.928 -0.466 235 2HA GLY 34 HA1 GLY 34 4.159 0.110 0.019 236 H ALA 35 HN ALA 35 4.528 0.522 2.636 237 HA ALA 35 HA ALA 35 6.726 2.394 2.730 238 1HB ALA 35 HB1 ALA 35 4.616 2.699 4.003 239 2HB ALA 35 HB3 ALA 35 5.038 1.310 5.004 240 3HB ALA 35 HB2 ALA 35 6.034 2.765 5.050 241 H THR 36 HN THR 36 6.212 -0.795 4.435 242 HA THR 36 HA THR 36 8.702 -0.749 5.812 243 HB THR 36 HB THR 36 7.102 -3.111 4.784 244 HG1 THR 36 HG1 THR 36 5.920 -1.937 6.231 245 1HG2 THR 36 HG21 THR 36 9.687 -2.951 6.064 246 2HG2 THR 36 HG23 THR 36 8.533 -3.767 7.120 247 3HG2 THR 36 HG22 THR 36 8.820 -4.375 5.490 248 H ILE 37 HN ILE 37 7.967 -2.704 2.901 249 HA ILE 37 HA ILE 37 10.745 -3.191 2.310 250 HB ILE 37 HB ILE 37 8.337 -3.326 0.487 251 1HG1 ILE 37 HG12 ILE 37 7.936 -4.750 2.383 252 2HG1 ILE 37 HG11 ILE 37 8.502 -5.803 1.086 253 1HG2 ILE 37 HG21 ILE 37 11.117 -3.643 -0.021 254 2HG2 ILE 37 HG23 ILE 37 10.405 -5.256 -0.044 255 3HG2 ILE 37 HG22 ILE 37 9.777 -4.000 -1.110 256 1HD1 ILE 37 HD12 ILE 37 10.878 -5.273 2.126 257 2HD1 ILE 37 HD11 ILE 37 9.929 -4.923 3.570 258 3HD1 ILE 37 HD13 ILE 37 9.853 -6.523 2.832 259 H GLY 38 HN GLY 38 8.720 -0.505 1.749 260 1HA GLY 38 HA2 GLY 38 10.075 0.496 -0.623 261 2HA GLY 38 HA1 GLY 38 8.949 1.411 0.385 262 H ILE 39 HN ILE 39 9.816 2.106 2.541 263 HA ILE 39 HA ILE 39 12.257 3.524 2.250 264 HB ILE 39 HB ILE 39 10.190 3.363 4.184 265 1HG1 ILE 39 HG12 ILE 39 11.249 5.406 3.333 266 2HG1 ILE 39 HG11 ILE 39 11.305 5.378 5.096 267 1HG2 ILE 39 HG21 ILE 39 11.665 1.687 5.380 268 2HG2 ILE 39 HG23 ILE 39 12.873 2.962 5.542 269 3HG2 ILE 39 HG22 ILE 39 11.299 3.135 6.318 270 1HD1 ILE 39 HD12 ILE 39 13.621 4.073 3.861 271 2HD1 ILE 39 HD11 ILE 39 13.482 5.778 3.433 272 3HD1 ILE 39 HD13 ILE 39 13.567 5.299 5.128 273 H LYS 40 HN LYS 40 11.616 0.195 2.886 274 HA LYS 40 HA LYS 40 14.002 -0.412 4.398 275 1HB LYS 40 HB2 LYS 40 12.293 -2.098 4.296 276 2HB LYS 40 HB1 LYS 40 12.297 -2.083 2.531 277 1HG LYS 40 HG2 LYS 40 14.504 -3.043 2.451 278 2HG LYS 40 HG1 LYS 40 14.711 -2.846 4.191 279 1HD LYS 40 HD2 LYS 40 13.058 -4.510 4.671 280 2HD LYS 40 HD1 LYS 40 12.517 -4.548 2.991 281 1HE LYS 40 HE2 LYS 40 15.174 -5.504 4.086 282 2HE LYS 40 HE1 LYS 40 13.918 -6.478 3.320 283 1HZ LYS 40 HZ3 LYS 40 14.288 -4.886 1.346 284 2HZ LYS 40 HZ2 LYS 40 15.776 -4.549 2.095 285 3HZ LYS 40 HZ1 LYS 40 15.403 -6.134 1.611 286 H LEU 41 HN LEU 41 13.417 -1.272 0.980 287 HA LEU 41 HA LEU 41 16.226 -1.408 0.371 288 1HB LEU 41 HB2 LEU 41 14.297 -2.517 -0.897 289 2HB LEU 41 HB1 LEU 41 14.006 -0.939 -1.631 290 HG LEU 41 HG LEU 41 16.302 -0.894 -2.495 291 1HD1 LEU 41 HD12 LEU 41 16.604 -3.039 -0.571 292 2HD1 LEU 41 HD11 LEU 41 17.151 -3.556 -2.165 293 3HD1 LEU 41 HD13 LEU 41 17.850 -2.122 -1.416 294 1HD2 LEU 41 HD22 LEU 41 14.816 -3.475 -3.091 295 2HD2 LEU 41 HD21 LEU 41 14.584 -1.928 -3.905 296 3HD2 LEU 41 HD23 LEU 41 16.103 -2.802 -4.092 297 H PHE 42 HN PHE 42 14.181 1.233 0.881 298 HA PHE 42 HA PHE 42 15.406 3.055 -1.044 299 1HB PHE 42 HB2 PHE 42 13.048 3.199 0.058 300 2HB PHE 42 HB1 PHE 42 13.902 3.916 1.423 301 HD1 PHE 42 HD1 PHE 42 13.588 4.213 -2.300 302 HD2 PHE 42 HD2 PHE 42 14.357 6.210 1.424 303 HE1 PHE 42 HE1 PHE 42 13.645 6.394 -3.482 304 HE2 PHE 42 HE2 PHE 42 14.416 8.390 0.245 305 HZ PHE 42 HZ PHE 42 14.060 8.483 -2.208 306 H LYS 43 HN LYS 43 15.298 3.334 2.517 307 HA LYS 43 HA LYS 43 17.661 4.959 2.633 308 1HB LYS 43 HB2 LYS 43 15.678 4.342 4.396 309 2HB LYS 43 HB1 LYS 43 16.997 3.357 5.031 310 1HG LYS 43 HG2 LYS 43 18.354 5.207 5.460 311 2HG LYS 43 HG1 LYS 43 17.513 6.220 4.285 312 1HD LYS 43 HD2 LYS 43 16.851 6.969 6.481 313 2HD LYS 43 HD1 LYS 43 15.478 6.111 5.779 314 1HE LYS 43 HE2 LYS 43 15.723 4.284 7.184 315 2HE LYS 43 HE1 LYS 43 17.451 4.553 7.404 316 1HZ LYS 43 HZ1 LYS 43 16.786 6.641 8.621 317 2HZ LYS 43 HZ3 LYS 43 15.203 6.034 8.632 318 3HZ LYS 43 HZ2 LYS 43 16.445 5.176 9.411 319 H LYS 44 HN LYS 44 17.196 1.476 2.663 320 HA LYS 44 HA LYS 44 19.866 0.892 3.693 321 1HB LYS 44 HB2 LYS 44 17.581 -0.570 3.462 322 2HB LYS 44 HB1 LYS 44 18.497 -1.170 2.081 323 1HG LYS 44 HG2 LYS 44 19.558 -2.516 3.559 324 2HG LYS 44 HG1 LYS 44 20.394 -1.060 4.103 325 1HD LYS 44 HD2 LYS 44 17.673 -1.727 5.199 326 2HD LYS 44 HD1 LYS 44 19.108 -2.510 5.862 327 1HE LYS 44 HE2 LYS 44 20.091 -0.143 6.077 328 2HE LYS 44 HE1 LYS 44 18.448 0.436 5.804 329 1HZ LYS 44 HZ1 LYS 44 18.689 -1.671 7.768 330 2HZ LYS 44 HZ3 LYS 44 19.443 -0.216 8.203 331 3HZ LYS 44 HZ2 LYS 44 17.787 -0.232 7.820 332 H PHE 45 HN PHE 45 18.698 1.952 0.712 333 HA PHE 45 HA PHE 45 20.041 0.615 -1.286 334 1HB PHE 45 HB2 PHE 45 19.050 3.274 -0.932 335 2HB PHE 45 HB1 PHE 45 20.627 3.372 -1.713 336 HD1 PHE 45 HD1 PHE 45 21.058 1.766 -3.704 337 HD2 PHE 45 HD2 PHE 45 17.153 2.693 -2.184 338 HE1 PHE 45 HE1 PHE 45 20.049 1.017 -5.842 339 HE2 PHE 45 HE2 PHE 45 16.142 1.946 -4.320 340 HZ PHE 45 HZ PHE 45 17.590 1.108 -6.150 341 H THR 46 HN THR 46 21.534 2.922 0.982 342 HA THR 46 HA THR 46 23.966 1.636 1.134 343 HB THR 46 HB THR 46 24.283 2.092 -1.234 344 HG1 THR 46 HG1 THR 46 26.012 3.926 -0.724 345 1HG2 THR 46 HG21 THR 46 22.719 4.264 -0.821 346 2HG2 THR 46 HG23 THR 46 24.307 5.027 -0.859 347 3HG2 THR 46 HG22 THR 46 23.756 4.075 -2.235 348 H SER 47 HN SER 47 22.143 3.239 2.740 349 HA SER 47 HA SER 47 22.346 4.763 4.515 350 1HB SER 47 HB2 SER 47 24.400 4.808 5.475 351 2HB SER 47 HB1 SER 47 24.890 3.736 4.167 352 HG SER 47 HG SER 47 26.112 5.789 4.520 353 H LYS 48 HN LYS 48 22.447 5.506 1.365 354 HA LYS 48 HA LYS 48 22.849 8.430 1.870 355 1HB LYS 48 HB2 LYS 48 23.613 6.663 -0.352 356 2HB LYS 48 HB1 LYS 48 22.830 8.155 -0.867 357 1HG LYS 48 HG2 LYS 48 24.915 8.374 1.253 358 2HG LYS 48 HG1 LYS 48 25.465 8.034 -0.388 359 1HD LYS 48 HD2 LYS 48 23.428 10.094 -0.410 360 2HD LYS 48 HD1 LYS 48 24.752 10.544 0.665 361 1HE LYS 48 HE2 LYS 48 26.379 10.232 -1.093 362 2HE LYS 48 HE1 LYS 48 25.158 9.547 -2.166 363 1HZ LYS 48 HZ3 LYS 48 24.346 12.082 -1.188 364 2HZ LYS 48 HZ2 LYS 48 25.865 12.197 -1.939 365 3HZ LYS 48 HZ1 LYS 48 24.539 11.564 -2.791 366 H ALA 49 HN ALA 49 20.551 6.022 1.168 367 HA ALA 49 HA ALA 49 18.278 6.145 0.596 368 1HB ALA 49 HB3 ALA 49 18.868 8.858 1.748 369 2HB ALA 49 HB2 ALA 49 17.284 8.530 1.048 370 3HB ALA 49 HB1 ALA 49 17.864 7.568 2.407 371 H SER 50 HN SER 50 18.647 5.810 -1.672 372 HA SER 50 HA SER 50 18.017 8.198 -3.301 373 1HB SER 50 HB2 SER 50 19.855 7.263 -4.948 374 2HB SER 50 HB1 SER 50 20.312 8.350 -3.641 375 HG SER 50 HG SER 50 20.258 5.533 -3.346 No H/Q in entry = 375 Start of MODEL 20 1 1H ALA 1 HT3 ALA 1 2.453 0.803 10.421 2 2H ALA 1 HT2 ALA 1 2.019 1.495 8.931 3 3H ALA 1 HT1 ALA 1 1.926 2.413 10.358 4 HA ALA 1 HA ALA 1 0.138 1.099 11.194 5 1HB ALA 1 HB3 ALA 1 -0.140 1.988 8.316 6 2HB ALA 1 HB2 ALA 1 -1.512 1.411 9.261 7 3HB ALA 1 HB1 ALA 1 -0.635 2.853 9.770 8 H GLU 2 HN GLU 2 0.039 0.065 7.809 9 HA GLU 2 HA GLU 2 -0.093 -2.755 8.797 10 1HB GLU 2 HB2 GLU 2 -1.988 -1.399 7.355 11 2HB GLU 2 HB1 GLU 2 -1.070 -2.183 6.070 12 1HG GLU 2 HG2 GLU 2 -1.559 -4.330 6.844 13 2HG GLU 2 HG1 GLU 2 -1.877 -3.772 8.487 14 H GLY 3 HN GLY 3 2.405 -2.309 8.638 15 1HA GLY 3 HA2 GLY 3 3.771 -3.885 7.007 16 2HA GLY 3 HA1 GLY 3 3.375 -2.617 5.846 17 H ASP 4 HN ASP 4 3.817 -0.294 6.943 18 HA ASP 4 HA ASP 4 5.493 1.202 7.622 19 1HB ASP 4 HB2 ASP 4 5.107 -0.485 9.718 20 2HB ASP 4 HB1 ASP 4 6.810 -0.792 9.377 21 H ASP 5 HN ASP 5 6.677 1.287 5.678 22 HA ASP 5 HA ASP 5 8.759 -0.767 5.218 23 1HB ASP 5 HB2 ASP 5 8.216 1.663 3.506 24 2HB ASP 5 HB1 ASP 5 8.961 0.138 3.031 25 HA PRO 6 HA PRO 6 11.926 1.770 6.894 26 1HB PRO 6 HB2 PRO 6 14.073 0.564 5.673 27 2HB PRO 6 HB1 PRO 6 13.199 -0.146 7.042 28 1HG PRO 6 HG2 PRO 6 13.100 -0.914 4.154 29 2HG PRO 6 HG1 PRO 6 12.779 -1.905 5.588 30 1HD PRO 6 HD2 PRO 6 10.813 -0.753 3.897 31 2HD PRO 6 HD1 PRO 6 10.525 -1.463 5.500 32 H ALA 7 HN ALA 7 11.032 1.784 3.646 33 HA ALA 7 HA ALA 7 12.108 4.392 3.148 34 1HB ALA 7 HB2 ALA 7 13.663 2.029 2.126 35 2HB ALA 7 HB1 ALA 7 13.608 3.517 1.181 36 3HB ALA 7 HB3 ALA 7 14.261 3.537 2.819 37 H LYS 8 HN LYS 8 9.681 4.143 2.713 38 HA LYS 8 HA LYS 8 8.470 2.703 0.689 39 1HB LYS 8 HB2 LYS 8 7.528 4.619 2.208 40 2HB LYS 8 HB1 LYS 8 7.955 5.664 0.853 41 1HG LYS 8 HG2 LYS 8 6.578 4.328 -0.661 42 2HG LYS 8 HG1 LYS 8 6.204 3.198 0.642 43 1HD LYS 8 HD2 LYS 8 5.546 5.685 1.712 44 2HD LYS 8 HD1 LYS 8 4.999 5.787 0.038 45 1HE LYS 8 HE2 LYS 8 3.175 4.857 1.282 46 2HE LYS 8 HE1 LYS 8 3.895 3.521 0.384 47 1HZ LYS 8 HZ3 LYS 8 4.773 4.151 3.130 48 2HZ LYS 8 HZ2 LYS 8 3.399 3.190 2.857 49 3HZ LYS 8 HZ1 LYS 8 4.916 2.693 2.276 50 H ALA 9 HN ALA 9 10.381 5.685 0.274 51 HA ALA 9 HA ALA 9 10.080 6.186 -2.426 52 1HB ALA 9 HB3 ALA 9 12.307 6.486 -0.502 53 2HB ALA 9 HB2 ALA 9 12.781 6.491 -2.201 54 3HB ALA 9 HB1 ALA 9 11.608 7.668 -1.609 55 H ALA 10 HN ALA 10 12.563 3.941 -1.119 56 HA ALA 10 HA ALA 10 13.287 2.906 -3.681 57 1HB ALA 10 HB2 ALA 10 14.475 2.654 -1.372 58 2HB ALA 10 HB1 ALA 10 13.445 1.234 -1.194 59 3HB ALA 10 HB3 ALA 10 14.582 1.335 -2.538 60 H PHE 11 HN PHE 11 10.790 1.922 -1.362 61 HA PHE 11 HA PHE 11 10.089 -0.581 -2.344 62 1HB PHE 11 HB2 PHE 11 8.757 1.511 -0.878 63 2HB PHE 11 HB1 PHE 11 7.638 0.821 -2.056 64 HD1 PHE 11 HD2 PHE 11 7.012 -1.544 -1.976 65 HD2 PHE 11 HD1 PHE 11 9.715 0.143 0.904 66 HE1 PHE 11 HE2 PHE 11 6.750 -3.554 -0.550 67 HE2 PHE 11 HE1 PHE 11 9.454 -1.867 2.328 68 HZ PHE 11 HZ PHE 11 7.970 -3.716 1.603 69 H ASP 12 HN ASP 12 8.853 2.534 -3.588 70 HA ASP 12 HA ASP 12 7.601 1.361 -5.900 71 1HB ASP 12 HB2 ASP 12 6.969 3.587 -5.056 72 2HB ASP 12 HB1 ASP 12 8.579 4.197 -5.436 73 H SER 13 HN SER 13 10.869 2.455 -5.211 74 HA SER 13 HA SER 13 11.719 2.494 -8.002 75 1HB SER 13 HB2 SER 13 12.838 3.186 -5.460 76 2HB SER 13 HB1 SER 13 13.952 2.099 -6.281 77 HG SER 13 HG SER 13 13.503 3.540 -8.170 78 H LEU 14 HN LEU 14 13.168 0.480 -5.436 79 HA LEU 14 HA LEU 14 14.265 -1.526 -6.923 80 1HB LEU 14 HB2 LEU 14 13.944 -3.044 -5.044 81 2HB LEU 14 HB1 LEU 14 14.271 -1.426 -4.423 82 HG LEU 14 HG LEU 14 11.627 -1.221 -4.524 83 1HD1 LEU 14 HD12 LEU 14 12.162 -4.045 -5.011 84 2HD1 LEU 14 HD11 LEU 14 11.178 -3.812 -3.565 85 3HD1 LEU 14 HD13 LEU 14 10.637 -3.165 -5.114 86 1HD2 LEU 14 HD22 LEU 14 13.341 -2.589 -2.446 87 2HD2 LEU 14 HD21 LEU 14 12.752 -0.927 -2.457 88 3HD2 LEU 14 HD23 LEU 14 11.633 -2.257 -2.157 89 H GLN 15 HN GLN 15 10.784 -1.159 -6.277 90 HA GLN 15 HA GLN 15 10.125 -3.722 -7.492 91 1HB GLN 15 HB2 GLN 15 8.666 -1.517 -6.260 92 2HB GLN 15 HB1 GLN 15 7.837 -2.167 -7.667 93 1HG GLN 15 HG2 GLN 15 8.990 -4.130 -5.738 94 2HG GLN 15 HG1 GLN 15 7.545 -3.252 -5.232 95 1HE2 GLN 15 HE22 GLN 15 6.138 -6.157 -6.957 96 2HE2 GLN 15 HE21 GLN 15 6.836 -5.752 -5.459 97 H ALA 16 HN ALA 16 9.627 -0.343 -8.565 98 HA ALA 16 HA ALA 16 8.713 -0.832 -11.128 99 1HB ALA 16 HB3 ALA 16 10.400 1.375 -10.032 100 2HB ALA 16 HB2 ALA 16 9.952 1.357 -11.738 101 3HB ALA 16 HB1 ALA 16 8.700 1.421 -10.497 102 H SER 17 HN SER 17 11.772 -1.561 -9.987 103 HA SER 17 HA SER 17 13.087 -1.535 -12.597 104 1HB SER 17 HB2 SER 17 14.056 -1.446 -10.058 105 2HB SER 17 HB1 SER 17 14.264 -3.159 -10.411 106 HG SER 17 HG SER 17 15.068 -1.104 -12.192 107 H ALA 18 HN ALA 18 10.668 -3.111 -12.614 108 HA ALA 18 HA ALA 18 9.877 -5.299 -13.034 109 1HB ALA 18 HB3 ALA 18 12.562 -5.251 -14.443 110 2HB ALA 18 HB2 ALA 18 11.347 -6.506 -14.685 111 3HB ALA 18 HB1 ALA 18 10.994 -4.838 -15.138 112 H THR 19 HN THR 19 10.684 -5.319 -10.498 113 HA THR 19 HA THR 19 12.715 -7.459 -10.171 114 HB THR 19 HB THR 19 12.682 -5.307 -8.771 115 HG1 THR 19 HG1 THR 19 12.496 -7.667 -7.238 116 1HG2 THR 19 HG23 THR 19 10.217 -5.360 -8.377 117 2HG2 THR 19 HG22 THR 19 10.442 -6.798 -7.387 118 3HG2 THR 19 HG21 THR 19 11.145 -5.266 -6.881 119 H GLU 20 HN GLU 20 9.265 -6.838 -9.404 120 HA GLU 20 HA GLU 20 9.002 -9.793 -8.998 121 1HB GLU 20 HB2 GLU 20 7.596 -7.648 -7.424 122 2HB GLU 20 HB1 GLU 20 7.403 -9.387 -7.222 123 1HG GLU 20 HG2 GLU 20 10.200 -8.726 -7.146 124 2HG GLU 20 HG1 GLU 20 9.329 -7.718 -5.991 125 H TYR 21 HN TYR 21 8.398 -9.268 -11.359 126 HA TYR 21 HA TYR 21 6.819 -9.209 -13.075 127 1HB TYR 21 HB2 TYR 21 4.766 -10.371 -12.646 128 2HB TYR 21 HB1 TYR 21 5.989 -11.123 -11.623 129 HD1 TYR 21 HD1 TYR 21 3.424 -8.388 -11.549 130 HD2 TYR 21 HD2 TYR 21 5.583 -11.353 -9.331 131 HE1 TYR 21 HE1 TYR 21 2.108 -7.821 -9.540 132 HE2 TYR 21 HE2 TYR 21 4.258 -10.794 -7.319 133 HH TYR 21 HH TYR 21 2.836 -9.292 -6.403 134 H ILE 22 HN ILE 22 6.611 -6.884 -10.650 135 HA ILE 22 HA ILE 22 4.492 -5.550 -12.209 136 HB ILE 22 HB ILE 22 3.296 -5.915 -10.237 137 1HG1 ILE 22 HG12 ILE 22 4.681 -3.479 -9.180 138 2HG1 ILE 22 HG11 ILE 22 3.817 -3.367 -10.681 139 1HG2 ILE 22 HG23 ILE 22 5.956 -6.028 -9.135 140 2HG2 ILE 22 HG22 ILE 22 4.777 -5.264 -8.074 141 3HG2 ILE 22 HG21 ILE 22 4.498 -6.893 -8.680 142 1HD1 ILE 22 HD12 ILE 22 2.019 -4.756 -9.175 143 2HD1 ILE 22 HD11 ILE 22 2.750 -3.689 -7.978 144 3HD1 ILE 22 HD13 ILE 22 1.979 -3.012 -9.410 145 H GLY 23 HN GLY 23 7.650 -5.530 -11.546 146 1HA GLY 23 HA2 GLY 23 8.196 -2.825 -10.907 147 2HA GLY 23 HA1 GLY 23 9.230 -3.849 -11.906 148 H TYR 24 HN TYR 24 6.741 -4.342 -13.628 149 HA TYR 24 HA TYR 24 7.194 -2.786 -15.802 150 1HB TYR 24 HB2 TYR 24 5.434 -3.986 -16.624 151 2HB TYR 24 HB1 TYR 24 5.297 -4.684 -15.043 152 HD1 TYR 24 HD1 TYR 24 4.389 -1.266 -16.153 153 HD2 TYR 24 HD2 TYR 24 3.016 -5.055 -14.782 154 HE1 TYR 24 HE1 TYR 24 2.220 -0.361 -15.906 155 HE2 TYR 24 HE2 TYR 24 0.734 -4.130 -14.537 156 HH TYR 24 HH TYR 24 -0.470 -2.208 -14.521 157 H ALA 25 HN ALA 25 5.770 -1.633 -12.789 158 HA ALA 25 HA ALA 25 6.226 0.894 -12.506 159 1HB ALA 25 HB3 ALA 25 4.709 0.988 -15.130 160 2HB ALA 25 HB2 ALA 25 5.115 2.403 -14.159 161 3HB ALA 25 HB1 ALA 25 6.398 1.427 -14.874 162 H TRP 26 HN TRP 26 4.585 -0.693 -11.108 163 HA TRP 26 HA TRP 26 2.260 0.993 -10.601 164 1HB TRP 26 HB2 TRP 26 0.742 -1.029 -10.739 165 2HB TRP 26 HB1 TRP 26 1.232 -0.311 -12.260 166 HD1 TRP 26 HD1 TRP 26 3.924 -1.576 -12.794 167 HE1 TRP 26 HE1 TRP 26 4.270 -4.029 -13.231 168 HE3 TRP 26 HE3 TRP 26 -0.200 -3.360 -10.555 169 HZ2 TRP 26 HZ2 TRP 26 2.935 -6.463 -12.780 170 HZ3 TRP 26 HZ3 TRP 26 -0.690 -5.790 -10.567 171 HH2 TRP 26 HH2 TRP 26 0.892 -7.355 -11.671 172 H ALA 27 HN ALA 27 4.668 -0.265 -9.337 173 HA ALA 27 HA ALA 27 3.686 -2.181 -7.511 174 1HB ALA 27 HB2 ALA 27 6.181 -0.596 -7.813 175 2HB ALA 27 HB1 ALA 27 5.831 -1.196 -6.192 176 3HB ALA 27 HB3 ALA 27 5.978 -2.326 -7.539 177 H MET 28 HN MET 28 4.250 1.299 -7.334 178 HA MET 28 HA MET 28 3.545 1.738 -4.691 179 1HB MET 28 HB2 MET 28 3.170 4.055 -5.329 180 2HB MET 28 HB1 MET 28 4.578 3.431 -6.189 181 1HG MET 28 HG2 MET 28 2.724 2.764 -7.989 182 2HG MET 28 HG1 MET 28 1.863 4.107 -7.237 183 1HE MET 28 HE3 MET 28 2.100 4.238 -9.855 184 2HE MET 28 HE2 MET 28 3.176 5.439 -10.562 185 3HE MET 28 HE1 MET 28 3.688 3.756 -10.472 186 H VAL 29 HN VAL 29 1.546 1.066 -7.455 187 HA VAL 29 HA VAL 29 -0.923 2.140 -6.532 188 HB VAL 29 HB VAL 29 -0.406 -0.315 -8.234 189 1HG1 VAL 29 HG12 VAL 29 -2.872 1.052 -7.318 190 2HG1 VAL 29 HG11 VAL 29 -2.805 0.676 -9.040 191 3HG1 VAL 29 HG13 VAL 29 -2.640 -0.613 -7.848 192 1HG2 VAL 29 HG23 VAL 29 -0.475 2.622 -8.729 193 2HG2 VAL 29 HG22 VAL 29 0.454 1.367 -9.548 194 3HG2 VAL 29 HG21 VAL 29 -1.250 1.598 -9.938 195 H VAL 30 HN VAL 30 0.231 -1.250 -6.284 196 HA VAL 30 HA VAL 30 -1.884 -2.083 -4.543 197 HB VAL 30 HB VAL 30 -0.329 -3.994 -4.007 198 1HG1 VAL 30 HG11 VAL 30 -1.513 -3.232 -6.498 199 2HG1 VAL 30 HG13 VAL 30 0.000 -4.071 -6.842 200 3HG1 VAL 30 HG12 VAL 30 -1.244 -4.858 -5.871 201 1HG2 VAL 30 HG23 VAL 30 1.674 -2.249 -4.510 202 2HG2 VAL 30 HG22 VAL 30 1.875 -3.994 -4.664 203 3HG2 VAL 30 HG21 VAL 30 1.556 -3.014 -6.095 204 H VAL 31 HN VAL 31 1.205 -0.524 -3.941 205 HA VAL 31 HA VAL 31 1.462 -1.067 -1.170 206 HB VAL 31 HB VAL 31 2.230 1.428 -2.711 207 1HG1 VAL 31 HG12 VAL 31 2.780 0.445 0.070 208 2HG1 VAL 31 HG11 VAL 31 4.026 1.360 -0.776 209 3HG1 VAL 31 HG13 VAL 31 2.445 2.084 -0.487 210 1HG2 VAL 31 HG21 VAL 31 3.110 -1.154 -3.090 211 2HG2 VAL 31 HG23 VAL 31 4.053 0.289 -3.463 212 3HG2 VAL 31 HG22 VAL 31 4.280 -0.541 -1.922 213 H ILE 32 HN ILE 32 0.195 1.982 -2.594 214 HA ILE 32 HA ILE 32 -0.888 2.931 -0.170 215 HB ILE 32 HB ILE 32 -0.624 4.384 -1.988 216 1HG1 ILE 32 HG12 ILE 32 -2.861 5.442 -2.113 217 2HG1 ILE 32 HG11 ILE 32 -3.549 3.968 -1.428 218 1HG2 ILE 32 HG21 ILE 32 -1.279 2.418 -3.642 219 2HG2 ILE 32 HG23 ILE 32 -2.840 3.234 -3.576 220 3HG2 ILE 32 HG22 ILE 32 -1.411 4.107 -4.129 221 1HD1 ILE 32 HD13 ILE 32 -2.083 4.258 0.572 222 2HD1 ILE 32 HD12 ILE 32 -1.519 5.788 -0.101 223 3HD1 ILE 32 HD11 ILE 32 -3.212 5.597 0.358 224 H VAL 33 HN VAL 33 -2.697 1.333 -2.852 225 HA VAL 33 HA VAL 33 -5.168 1.244 -1.567 226 HB VAL 33 HB VAL 33 -3.846 -0.928 -3.236 227 1HG1 VAL 33 HG11 VAL 33 -6.314 -0.944 -1.733 228 2HG1 VAL 33 HG13 VAL 33 -6.660 -1.036 -3.460 229 3HG1 VAL 33 HG12 VAL 33 -5.603 -2.232 -2.707 230 1HG2 VAL 33 HG23 VAL 33 -4.399 1.503 -4.107 231 2HG2 VAL 33 HG22 VAL 33 -4.812 0.102 -5.096 232 3HG2 VAL 33 HG21 VAL 33 -6.056 0.900 -4.133 233 H GLY 34 HN GLY 34 -2.232 -0.404 -0.737 234 1HA GLY 34 HA2 GLY 34 -3.455 -2.407 0.967 235 2HA GLY 34 HA1 GLY 34 -1.792 -1.812 1.109 236 H ALA 35 HN ALA 35 -1.998 0.787 1.569 237 HA ALA 35 HA ALA 35 -2.878 0.975 4.299 238 1HB ALA 35 HB1 ALA 35 -1.032 2.327 3.187 239 2HB ALA 35 HB3 ALA 35 -2.305 3.294 2.442 240 3HB ALA 35 HB2 ALA 35 -2.143 3.251 4.198 241 H THR 36 HN THR 36 -4.240 2.519 1.280 242 HA THR 36 HA THR 36 -6.387 3.850 2.483 243 HB THR 36 HB THR 36 -6.745 2.351 -0.105 244 HG1 THR 36 HG1 THR 36 -5.692 4.584 -0.739 245 1HG2 THR 36 HG21 THR 36 -8.479 3.922 1.050 246 2HG2 THR 36 HG23 THR 36 -7.422 5.220 0.494 247 3HG2 THR 36 HG22 THR 36 -8.166 4.127 -0.673 248 H ILE 37 HN ILE 37 -6.570 0.573 1.049 249 HA ILE 37 HA ILE 37 -9.168 -0.020 2.099 250 HB ILE 37 HB ILE 37 -6.885 -1.825 1.281 251 1HG1 ILE 37 HG12 ILE 37 -9.437 -0.905 -0.086 252 2HG1 ILE 37 HG11 ILE 37 -7.789 -0.475 -0.540 253 1HG2 ILE 37 HG23 ILE 37 -9.623 -2.405 2.343 254 2HG2 ILE 37 HG22 ILE 37 -9.014 -3.418 1.034 255 3HG2 ILE 37 HG21 ILE 37 -8.125 -3.311 2.553 256 1HD1 ILE 37 HD13 ILE 37 -7.370 -2.979 -0.845 257 2HD1 ILE 37 HD12 ILE 37 -9.118 -3.183 -0.729 258 3HD1 ILE 37 HD11 ILE 37 -8.428 -2.220 -2.035 259 H GLY 38 HN GLY 38 -6.074 0.005 3.612 260 1HA GLY 38 HA2 GLY 38 -6.654 -1.856 5.752 261 2HA GLY 38 HA1 GLY 38 -5.352 -0.660 5.756 262 H ILE 39 HN ILE 39 -6.183 1.669 5.941 263 HA ILE 39 HA ILE 39 -7.690 1.930 8.355 264 HB ILE 39 HB ILE 39 -6.817 3.886 6.214 265 1HG1 ILE 39 HG12 ILE 39 -6.064 4.049 9.101 266 2HG1 ILE 39 HG11 ILE 39 -5.359 2.742 8.149 267 1HG2 ILE 39 HG23 ILE 39 -8.967 4.672 7.144 268 2HG2 ILE 39 HG22 ILE 39 -8.325 4.496 8.777 269 3HG2 ILE 39 HG21 ILE 39 -7.634 5.694 7.683 270 1HD1 ILE 39 HD12 ILE 39 -5.275 5.673 7.379 271 2HD1 ILE 39 HD11 ILE 39 -3.944 4.792 8.127 272 3HD1 ILE 39 HD13 ILE 39 -4.501 4.345 6.515 273 H LYS 40 HN LYS 40 -8.606 1.309 5.120 274 HA LYS 40 HA LYS 40 -11.099 2.757 5.054 275 1HB LYS 40 HB2 LYS 40 -10.073 1.729 3.042 276 2HB LYS 40 HB1 LYS 40 -10.395 0.129 3.711 277 1HG LYS 40 HG2 LYS 40 -12.752 0.433 3.586 278 2HG LYS 40 HG1 LYS 40 -12.588 2.168 3.318 279 1HD LYS 40 HD2 LYS 40 -11.664 1.819 1.119 280 2HD LYS 40 HD1 LYS 40 -11.549 0.078 1.389 281 1HE LYS 40 HE2 LYS 40 -13.998 -0.073 1.556 282 2HE LYS 40 HE1 LYS 40 -14.130 1.670 1.320 283 1HZ LYS 40 HZ3 LYS 40 -12.823 -0.140 -0.628 284 2HZ LYS 40 HZ2 LYS 40 -14.464 0.291 -0.717 285 3HZ LYS 40 HZ1 LYS 40 -13.260 1.482 -0.854 286 H LEU 41 HN LEU 41 -10.543 -0.738 5.676 287 HA LEU 41 HA LEU 41 -13.212 -1.095 6.763 288 1HB LEU 41 HB2 LEU 41 -11.680 -2.873 5.695 289 2HB LEU 41 HB1 LEU 41 -10.869 -2.932 7.260 290 HG LEU 41 HG LEU 41 -13.410 -3.120 8.112 291 1HD1 LEU 41 HD11 LEU 41 -14.325 -3.004 5.814 292 2HD1 LEU 41 HD13 LEU 41 -13.399 -4.441 5.381 293 3HD1 LEU 41 HD12 LEU 41 -14.692 -4.552 6.574 294 1HD2 LEU 41 HD22 LEU 41 -11.728 -5.390 7.002 295 2HD2 LEU 41 HD21 LEU 41 -11.618 -4.711 8.627 296 3HD2 LEU 41 HD23 LEU 41 -13.067 -5.587 8.133 297 H PHE 42 HN PHE 42 -10.016 -0.523 8.177 298 HA PHE 42 HA PHE 42 -10.667 -1.083 10.891 299 1HB PHE 42 HB2 PHE 42 -8.364 -0.774 10.309 300 2HB PHE 42 HB1 PHE 42 -8.680 0.825 9.638 301 HD1 PHE 42 HD2 PHE 42 -10.133 -0.505 12.784 302 HD2 PHE 42 HD1 PHE 42 -7.222 2.121 11.031 303 HE1 PHE 42 HE2 PHE 42 -9.714 0.513 15.006 304 HE2 PHE 42 HE1 PHE 42 -6.804 3.140 13.252 305 HZ PHE 42 HZ PHE 42 -8.049 2.336 15.240 306 H LYS 43 HN LYS 43 -10.576 2.113 9.275 307 HA LYS 43 HA LYS 43 -11.791 3.513 11.454 308 1HB LYS 43 HB2 LYS 43 -10.884 4.125 8.793 309 2HB LYS 43 HB1 LYS 43 -12.474 4.843 9.044 310 1HG LYS 43 HG2 LYS 43 -11.706 5.941 11.078 311 2HG LYS 43 HG1 LYS 43 -10.141 5.136 10.957 312 1HD LYS 43 HD2 LYS 43 -9.554 7.097 9.923 313 2HD LYS 43 HD1 LYS 43 -10.234 6.280 8.514 314 1HE LYS 43 HE2 LYS 43 -12.500 7.303 9.350 315 2HE LYS 43 HE1 LYS 43 -11.457 8.423 10.229 316 1HZ LYS 43 HZ2 LYS 43 -10.883 7.920 7.401 317 2HZ LYS 43 HZ1 LYS 43 -12.211 8.909 7.782 318 3HZ LYS 43 HZ3 LYS 43 -10.660 9.334 8.318 319 H LYS 44 HN LYS 44 -13.153 1.625 8.826 320 HA LYS 44 HA LYS 44 -15.839 2.696 9.066 321 1HB LYS 44 HB2 LYS 44 -14.705 1.251 7.150 322 2HB LYS 44 HB1 LYS 44 -15.336 -0.097 8.098 323 1HG LYS 44 HG2 LYS 44 -17.563 1.274 8.100 324 2HG LYS 44 HG1 LYS 44 -16.848 2.110 6.721 325 1HD LYS 44 HD2 LYS 44 -16.696 0.107 5.447 326 2HD LYS 44 HD1 LYS 44 -16.985 -0.905 6.862 327 1HE LYS 44 HE2 LYS 44 -19.105 -0.934 5.952 328 2HE LYS 44 HE1 LYS 44 -19.246 0.513 6.951 329 1HZ LYS 44 HZ2 LYS 44 -18.338 0.603 4.133 330 2HZ LYS 44 HZ1 LYS 44 -19.975 0.734 4.569 331 3HZ LYS 44 HZ3 LYS 44 -18.861 1.893 5.108 332 H PHE 45 HN PHE 45 -13.972 0.546 10.962 333 HA PHE 45 HA PHE 45 -15.916 -1.236 11.988 334 1HB PHE 45 HB2 PHE 45 -13.255 -0.547 12.604 335 2HB PHE 45 HB1 PHE 45 -14.161 -0.301 14.096 336 HD1 PHE 45 HD1 PHE 45 -13.314 -2.764 11.453 337 HD2 PHE 45 HD2 PHE 45 -15.109 -2.147 15.308 338 HE1 PHE 45 HE1 PHE 45 -13.391 -5.217 11.809 339 HE2 PHE 45 HE2 PHE 45 -15.188 -4.600 15.663 340 HZ PHE 45 HZ PHE 45 -14.328 -6.135 13.913 341 H THR 46 HN THR 46 -15.382 2.167 12.686 342 HA THR 46 HA THR 46 -17.882 2.782 13.561 343 HB THR 46 HB THR 46 -17.776 1.232 15.397 344 HG1 THR 46 HG1 THR 46 -17.591 2.799 17.199 345 1HG2 THR 46 HG21 THR 46 -14.987 2.210 15.506 346 2HG2 THR 46 HG23 THR 46 -15.740 1.908 17.073 347 3HG2 THR 46 HG22 THR 46 -15.634 0.613 15.879 348 H SER 47 HN SER 47 -16.014 4.167 12.191 349 HA SER 47 HA SER 47 -15.462 6.439 14.033 350 1HB SER 47 HB2 SER 47 -13.439 4.783 13.245 351 2HB SER 47 HB1 SER 47 -13.412 5.976 11.951 352 HG SER 47 HG SER 47 -13.655 6.871 14.590 353 H LYS 48 HN LYS 48 -17.453 7.174 12.864 354 HA LYS 48 HA LYS 48 -18.412 8.628 11.301 355 1HB LYS 48 HB2 LYS 48 -15.538 9.035 11.068 356 2HB LYS 48 HB1 LYS 48 -16.360 9.268 9.526 357 1HG LYS 48 HG2 LYS 48 -17.431 10.506 12.057 358 2HG LYS 48 HG1 LYS 48 -16.178 11.309 11.110 359 1HD LYS 48 HD2 LYS 48 -17.762 10.894 9.086 360 2HD LYS 48 HD1 LYS 48 -19.005 10.652 10.314 361 1HE LYS 48 HE2 LYS 48 -17.224 13.083 10.371 362 2HE LYS 48 HE1 LYS 48 -18.685 13.048 9.384 363 1HZ LYS 48 HZ2 LYS 48 -19.799 12.244 11.535 364 2HZ LYS 48 HZ1 LYS 48 -18.428 12.875 12.315 365 3HZ LYS 48 HZ3 LYS 48 -19.420 13.893 11.389 366 H ALA 49 HN ALA 49 -17.654 5.638 10.856 367 HA ALA 49 HA ALA 49 -17.821 4.063 9.111 368 1HB ALA 49 HB2 ALA 49 -20.113 5.558 9.259 369 2HB ALA 49 HB1 ALA 49 -19.667 5.772 7.566 370 3HB ALA 49 HB3 ALA 49 -19.912 4.151 8.216 371 H SER 50 HN SER 50 -15.674 4.395 8.256 372 HA SER 50 HA SER 50 -15.286 6.385 6.132 373 1HB SER 50 HB2 SER 50 -13.571 4.366 7.525 374 2HB SER 50 HB1 SER 50 -13.054 4.960 5.949 375 HG SER 50 HG SER 50 -12.262 6.481 7.229 No H/Q in entry = 375
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