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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 | stage | position | program | type |
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5130 |
1gh8 ![]() ![]() |
cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 12.849 17.246 7.234 2 2H MET 1 HT2 MET 1 11.652 17.651 6.074 3 3H MET 1 HT3 MET 1 12.282 16.056 6.137 4 HA MET 1 HA MET 1 10.616 15.533 7.400 5 1HB MET 1 HB2 MET 1 12.630 16.703 8.988 6 2HB MET 1 HB1 MET 1 11.105 17.275 9.649 7 1HG MET 1 HG2 MET 1 10.695 15.319 10.597 8 2HG MET 1 HG1 MET 1 10.977 14.458 9.085 9 1HE MET 1 HE1 MET 1 12.176 15.450 12.497 10 2HE MET 1 HE2 MET 1 13.465 14.272 12.746 11 3HE MET 1 HE3 MET 1 11.825 13.725 12.390 12 H GLY 2 HN GLY 2 8.693 16.156 6.600 13 1HA GLY 2 HA1 GLY 2 7.122 18.075 7.860 14 2HA GLY 2 HA2 GLY 2 7.816 18.860 6.448 15 H ASP 3 HN ASP 3 7.704 15.824 5.482 16 HA ASP 3 HA ASP 3 5.194 16.217 4.054 17 1HB ASP 3 HB2 ASP 3 5.963 14.327 2.656 18 2HB ASP 3 HB1 ASP 3 7.151 15.624 2.730 19 H VAL 4 HN VAL 4 3.493 14.745 4.056 20 HA VAL 4 HA VAL 4 3.412 12.978 6.396 21 HB VAL 4 HB VAL 4 0.976 13.310 4.752 22 1HG1 VAL 4 HG21 VAL 4 0.410 12.182 6.621 23 2HG1 VAL 4 HG22 VAL 4 0.288 13.800 7.312 24 3HG1 VAL 4 HG23 VAL 4 1.752 12.845 7.556 25 1HG2 VAL 4 HG11 VAL 4 1.742 15.574 4.639 26 2HG2 VAL 4 HG12 VAL 4 2.155 15.575 6.353 27 3HG2 VAL 4 HG13 VAL 4 0.466 15.493 5.853 28 H VAL 5 HN VAL 5 4.013 10.933 6.019 29 HA VAL 5 HA VAL 5 3.359 9.754 3.398 30 HB VAL 5 HB VAL 5 5.572 9.088 5.338 31 1HG1 VAL 5 HG11 VAL 5 6.051 7.589 3.098 32 2HG1 VAL 5 HG12 VAL 5 4.304 7.438 3.290 33 3HG1 VAL 5 HG13 VAL 5 5.379 6.980 4.611 34 1HG2 VAL 5 HG21 VAL 5 6.243 9.554 2.548 35 2HG2 VAL 5 HG22 VAL 5 6.926 10.265 4.011 36 3HG2 VAL 5 HG23 VAL 5 5.459 10.942 3.303 37 H ALA 6 HN ALA 6 1.856 8.220 3.339 38 HA ALA 6 HA ALA 6 1.059 6.888 5.834 39 1HB ALA 6 HB1 ALA 6 -0.312 7.384 3.224 40 2HB ALA 6 HB2 ALA 6 -0.876 7.698 4.866 41 3HB ALA 6 HB3 ALA 6 -0.834 6.047 4.248 42 H THR 7 HN THR 7 0.454 4.483 5.537 43 HA THR 7 HA THR 7 2.111 3.189 3.515 44 HB THR 7 HB THR 7 2.326 2.325 6.383 45 HG1 THR 7 HG1 THR 7 3.612 4.365 5.045 46 1HG2 THR 7 HG21 THR 7 4.495 1.375 5.501 47 2HG2 THR 7 HG22 THR 7 3.846 1.671 3.885 48 3HG2 THR 7 HG23 THR 7 3.008 0.575 4.989 49 H ILE 8 HN ILE 8 1.167 1.597 2.586 50 HA ILE 8 HA ILE 8 -1.110 0.232 3.875 51 HB ILE 8 HB ILE 8 -0.731 0.667 0.914 52 1HG1 ILE 8 HG12 ILE 8 -0.922 2.812 2.339 53 2HG1 ILE 8 HG11 ILE 8 -2.014 2.629 0.971 54 1HG2 ILE 8 HG21 ILE 8 -2.262 -1.004 1.097 55 2HG2 ILE 8 HG22 ILE 8 -3.323 0.406 1.138 56 3HG2 ILE 8 HG23 ILE 8 -2.888 -0.418 2.639 57 1HD1 ILE 8 HD11 ILE 8 -3.127 1.573 3.437 58 2HD1 ILE 8 HD12 ILE 8 -3.812 2.708 2.271 59 3HD1 ILE 8 HD13 ILE 8 -2.727 3.289 3.535 60 H LYS 9 HN LYS 9 -0.417 -1.795 4.426 61 HA LYS 9 HA LYS 9 1.558 -3.144 2.736 62 1HB LYS 9 HB1 LYS 9 0.726 -4.512 5.181 63 2HB LYS 9 HB2 LYS 9 2.335 -4.149 4.576 64 1HG LYS 9 HG2 LYS 9 0.968 -1.763 5.477 65 2HG LYS 9 HG1 LYS 9 1.068 -2.984 6.742 66 1HD LYS 9 HD2 LYS 9 3.450 -2.198 5.104 67 2HD LYS 9 HD1 LYS 9 2.980 -1.319 6.559 68 1HE LYS 9 HE2 LYS 9 3.289 -4.290 6.642 69 2HE LYS 9 HE1 LYS 9 4.715 -3.254 6.719 70 1HZ LYS 9 HZ1 LYS 9 2.589 -3.637 8.680 71 2HZ LYS 9 HZ2 LYS 9 3.240 -2.081 8.549 72 3HZ LYS 9 HZ3 LYS 9 4.247 -3.390 8.914 73 H VAL 10 HN VAL 10 0.396 -4.005 1.062 74 HA VAL 10 HA VAL 10 -1.956 -5.604 1.627 75 HB VAL 10 HB VAL 10 -2.601 -5.187 -0.466 76 1HG1 VAL 10 HG21 VAL 10 -0.950 -3.143 0.375 77 2HG1 VAL 10 HG22 VAL 10 -2.108 -3.070 -0.955 78 3HG1 VAL 10 HG23 VAL 10 -0.417 -3.452 -1.280 79 1HG2 VAL 10 HG11 VAL 10 0.057 -6.262 -1.183 80 2HG2 VAL 10 HG12 VAL 10 -0.739 -5.241 -2.380 81 3HG2 VAL 10 HG13 VAL 10 -1.546 -6.691 -1.782 82 H MET 11 HN MET 11 -2.123 -7.790 1.557 83 HA MET 11 HA MET 11 0.103 -9.361 0.522 84 1HB MET 11 HB2 MET 11 0.632 -10.473 2.504 85 2HB MET 11 HB1 MET 11 0.396 -8.813 3.024 86 1HG MET 11 HG1 MET 11 -1.336 -9.314 4.325 87 2HG MET 11 HG2 MET 11 -2.036 -10.415 3.143 88 1HE MET 11 HE1 MET 11 -0.393 -12.510 2.468 89 2HE MET 11 HE2 MET 11 -1.734 -13.200 3.383 90 3HE MET 11 HE3 MET 11 -0.078 -13.691 3.739 91 HA PRO 12 HA PRO 12 -3.406 -11.721 -0.921 92 1HB PRO 12 HB1 PRO 12 -1.383 -13.611 -1.915 93 2HB PRO 12 HB2 PRO 12 -2.533 -12.620 -2.820 94 1HG PRO 12 HG1 PRO 12 0.102 -12.106 -2.835 95 2HG PRO 12 HG2 PRO 12 -1.108 -10.811 -2.903 96 1HD PRO 12 HD2 PRO 12 0.475 -11.801 -0.551 97 2HD PRO 12 HD1 PRO 12 0.141 -10.130 -1.057 98 H GLU 13 HN GLU 13 -4.591 -13.148 0.163 99 HA GLU 13 HA GLU 13 -3.701 -14.556 2.403 100 1HB GLU 13 HB1 GLU 13 -6.162 -14.285 0.900 101 2HB GLU 13 HB2 GLU 13 -5.947 -15.935 1.464 102 1HG GLU 13 HG1 GLU 13 -5.401 -13.870 3.470 103 2HG GLU 13 HG2 GLU 13 -7.070 -13.941 2.905 104 H SER 14 HN SER 14 -3.935 -15.517 -0.964 105 HA SER 14 HA SER 14 -3.412 -18.294 -0.428 106 1HB SER 14 HB2 SER 14 -4.170 -16.682 -2.712 107 2HB SER 14 HB1 SER 14 -2.873 -17.798 -3.137 108 HG SER 14 HG SER 14 -5.167 -18.641 -1.718 109 HA PRO 15 HA PRO 15 0.999 -18.251 -0.443 110 1HB PRO 15 HB2 PRO 15 1.582 -20.618 -1.633 111 2HB PRO 15 HB1 PRO 15 0.928 -20.506 0.006 112 1HG PRO 15 HG2 PRO 15 -0.491 -21.094 -2.567 113 2HG PRO 15 HG1 PRO 15 -0.672 -21.878 -0.986 114 1HD PRO 15 HD2 PRO 15 -2.409 -20.011 -1.890 115 2HD PRO 15 HD1 PRO 15 -2.025 -20.201 -0.168 116 H ASP 16 HN ASP 16 -0.801 -17.970 -3.218 117 HA ASP 16 HA ASP 16 1.462 -17.919 -5.058 118 1HB ASP 16 HB2 ASP 16 -1.116 -18.703 -5.450 119 2HB ASP 16 HB1 ASP 16 -1.195 -17.034 -6.007 120 H VAL 17 HN VAL 17 1.673 -16.129 -3.033 121 HA VAL 17 HA VAL 17 0.587 -13.585 -3.470 122 HB VAL 17 HB VAL 17 3.195 -14.343 -2.140 123 1HG1 VAL 17 HG21 VAL 17 3.597 -12.137 -2.207 124 2HG1 VAL 17 HG22 VAL 17 2.378 -12.040 -0.935 125 3HG1 VAL 17 HG23 VAL 17 1.927 -11.742 -2.615 126 1HG2 VAL 17 HG11 VAL 17 2.013 -14.372 -0.095 127 2HG2 VAL 17 HG12 VAL 17 1.049 -15.317 -1.230 128 3HG2 VAL 17 HG13 VAL 17 0.574 -13.666 -0.831 129 H ASP 18 HN ASP 18 0.811 -13.386 -5.825 130 HA ASP 18 HA ASP 18 3.383 -13.131 -7.044 131 1HB ASP 18 HB2 ASP 18 1.867 -11.865 -8.809 132 2HB ASP 18 HB1 ASP 18 1.812 -13.618 -8.651 133 H LEU 19 HN LEU 19 4.623 -11.643 -5.986 134 HA LEU 19 HA LEU 19 3.700 -9.181 -5.003 135 1HB LEU 19 HB2 LEU 19 5.759 -8.977 -4.156 136 2HB LEU 19 HB1 LEU 19 5.984 -10.618 -4.723 137 HG LEU 19 HG LEU 19 6.675 -9.087 -6.925 138 1HD1 LEU 19 HD11 LEU 19 6.699 -7.028 -5.742 139 2HD1 LEU 19 HD12 LEU 19 8.379 -7.522 -5.948 140 3HD1 LEU 19 HD13 LEU 19 7.580 -7.740 -4.390 141 1HD2 LEU 19 HD21 LEU 19 9.027 -9.629 -5.486 142 2HD2 LEU 19 HD22 LEU 19 8.286 -10.599 -6.760 143 3HD2 LEU 19 HD23 LEU 19 7.879 -10.902 -5.071 144 H GLU 20 HN GLU 20 5.341 -10.003 -8.046 145 HA GLU 20 HA GLU 20 5.477 -7.333 -8.968 146 1HB GLU 20 HB1 GLU 20 6.980 -8.881 -9.920 147 2HB GLU 20 HB2 GLU 20 5.695 -9.997 -10.355 148 1HG GLU 20 HG2 GLU 20 4.886 -8.007 -11.846 149 2HG GLU 20 HG1 GLU 20 6.560 -7.479 -11.688 150 H ALA 21 HN ALA 21 3.080 -9.871 -9.297 151 HA ALA 21 HA ALA 21 1.486 -8.498 -11.234 152 1HB ALA 21 HB1 ALA 21 1.364 -10.962 -10.763 153 2HB ALA 21 HB2 ALA 21 -0.191 -10.133 -10.822 154 3HB ALA 21 HB3 ALA 21 0.522 -10.560 -9.267 155 H LEU 22 HN LEU 22 1.685 -8.622 -7.761 156 HA LEU 22 HA LEU 22 -0.652 -7.115 -7.174 157 1HB LEU 22 HB2 LEU 22 1.135 -8.551 -5.705 158 2HB LEU 22 HB1 LEU 22 1.670 -6.924 -5.351 159 HG LEU 22 HG LEU 22 0.072 -6.679 -3.827 160 1HD1 LEU 22 HD21 LEU 22 -1.555 -5.903 -5.346 161 2HD1 LEU 22 HD22 LEU 22 -2.363 -7.116 -4.352 162 3HD1 LEU 22 HD23 LEU 22 -1.840 -7.521 -5.987 163 1HD2 LEU 22 HD11 LEU 22 -1.040 -9.387 -4.414 164 2HD2 LEU 22 HD12 LEU 22 -0.842 -8.571 -2.863 165 3HD2 LEU 22 HD13 LEU 22 0.569 -9.193 -3.719 166 H LYS 23 HN LYS 23 2.582 -6.364 -8.124 167 HA LYS 23 HA LYS 23 2.855 -3.727 -7.275 168 1HB LYS 23 HB2 LYS 23 4.130 -5.497 -9.193 169 2HB LYS 23 HB1 LYS 23 4.061 -3.849 -9.798 170 1HG LYS 23 HG2 LYS 23 5.949 -3.550 -8.665 171 2HG LYS 23 HG1 LYS 23 4.924 -3.483 -7.230 172 1HD LYS 23 HD2 LYS 23 5.860 -5.333 -6.435 173 2HD LYS 23 HD1 LYS 23 5.452 -6.212 -7.912 174 1HE LYS 23 HE1 LYS 23 7.726 -4.353 -8.123 175 2HE LYS 23 HE2 LYS 23 7.979 -5.745 -7.070 176 1HZ LYS 23 HZ1 LYS 23 6.798 -6.254 -9.688 177 2HZ LYS 23 HZ2 LYS 23 7.892 -7.185 -8.796 178 3HZ LYS 23 HZ3 LYS 23 8.436 -5.835 -9.656 179 H LYS 24 HN LYS 24 1.463 -5.030 -10.262 180 HA LYS 24 HA LYS 24 0.830 -2.525 -11.412 181 1HB LYS 24 HB1 LYS 24 -0.851 -4.913 -12.016 182 2HB LYS 24 HB2 LYS 24 -0.166 -3.719 -13.111 183 1HG LYS 24 HG1 LYS 24 2.102 -4.831 -12.350 184 2HG LYS 24 HG2 LYS 24 1.039 -6.197 -12.007 185 1HD LYS 24 HD1 LYS 24 0.585 -4.914 -14.608 186 2HD LYS 24 HD2 LYS 24 2.166 -5.680 -14.428 187 1HE LYS 24 HE2 LYS 24 0.626 -7.615 -13.405 188 2HE LYS 24 HE1 LYS 24 -0.534 -6.886 -14.516 189 1HZ LYS 24 HZ1 LYS 24 0.604 -7.591 -16.310 190 2HZ LYS 24 HZ2 LYS 24 1.192 -8.761 -15.240 191 3HZ LYS 24 HZ3 LYS 24 2.121 -7.390 -15.587 192 H GLU 25 HN GLU 25 -0.979 -4.789 -9.388 193 HA GLU 25 HA GLU 25 -3.444 -3.372 -9.486 194 1HB GLU 25 HB1 GLU 25 -2.474 -5.188 -7.273 195 2HB GLU 25 HB2 GLU 25 -4.141 -4.794 -7.670 196 1HG GLU 25 HG2 GLU 25 -2.983 -5.860 -10.003 197 2HG GLU 25 HG1 GLU 25 -2.498 -6.902 -8.666 198 H ILE 26 HN ILE 26 -0.569 -3.112 -7.568 199 HA ILE 26 HA ILE 26 -1.572 -1.600 -5.421 200 HB ILE 26 HB ILE 26 1.145 -2.032 -6.585 201 1HG1 ILE 26 HG12 ILE 26 0.310 -2.266 -3.709 202 2HG1 ILE 26 HG11 ILE 26 -0.147 -3.509 -4.869 203 1HG2 ILE 26 HG21 ILE 26 0.333 0.302 -4.994 204 2HG2 ILE 26 HG22 ILE 26 1.729 0.071 -6.046 205 3HG2 ILE 26 HG23 ILE 26 1.753 -0.558 -4.399 206 1HD1 ILE 26 HD11 ILE 26 2.616 -2.996 -5.193 207 2HD1 ILE 26 HD12 ILE 26 1.823 -4.462 -4.616 208 3HD1 ILE 26 HD13 ILE 26 2.290 -3.204 -3.472 209 H GLN 27 HN GLN 27 -0.239 -0.683 -8.565 210 HA GLN 27 HA GLN 27 -0.194 2.098 -8.127 211 1HB GLN 27 HB1 GLN 27 -0.589 0.661 -10.758 212 2HB GLN 27 HB2 GLN 27 -0.008 2.305 -10.538 213 1HG GLN 27 HG1 GLN 27 1.644 0.541 -9.033 214 2HG GLN 27 HG2 GLN 27 1.488 -0.079 -10.677 215 1HE2 GLN 27 HE22 GLN 27 3.174 1.978 -8.706 216 2HE2 GLN 27 HE21 GLN 27 3.914 2.973 -9.908 217 H GLU 28 HN GLU 28 -2.698 -0.085 -9.309 218 HA GLU 28 HA GLU 28 -4.494 2.055 -9.999 219 1HB GLU 28 HB2 GLU 28 -6.017 0.378 -10.659 220 2HB GLU 28 HB1 GLU 28 -4.423 -0.230 -11.076 221 1HG GLU 28 HG1 GLU 28 -4.408 -1.685 -9.177 222 2HG GLU 28 HG2 GLU 28 -5.920 -0.995 -8.588 223 H ARG 29 HN ARG 29 -3.743 0.318 -7.139 224 HA ARG 29 HA ARG 29 -6.284 0.932 -5.874 225 1HB ARG 29 HB2 ARG 29 -5.629 -0.481 -4.129 226 2HB ARG 29 HB1 ARG 29 -4.941 -1.233 -5.558 227 1HG ARG 29 HG1 ARG 29 -2.868 -1.004 -4.813 228 2HG ARG 29 HG2 ARG 29 -3.130 0.671 -4.326 229 1HD ARG 29 HD1 ARG 29 -4.589 -0.948 -2.533 230 2HD ARG 29 HD2 ARG 29 -2.991 -1.676 -2.699 231 HE ARG 29 HE ARG 29 -3.607 0.678 -1.284 232 1HH1 ARG 29 HH22 ARG 29 -1.207 -0.597 -3.470 233 2HH1 ARG 29 HH21 ARG 29 0.063 0.415 -2.868 234 1HH2 ARG 29 HH12 ARG 29 -1.938 2.011 -0.489 235 2HH2 ARG 29 HH11 ARG 29 -0.352 1.895 -1.174 236 H ILE 30 HN ILE 30 -3.325 2.464 -6.348 237 HA ILE 30 HA ILE 30 -2.891 3.760 -3.894 238 HB ILE 30 HB ILE 30 -2.232 4.612 -6.707 239 1HG1 ILE 30 HG11 ILE 30 -1.110 2.596 -5.700 240 2HG1 ILE 30 HG12 ILE 30 -0.013 3.877 -6.194 241 1HG2 ILE 30 HG21 ILE 30 -1.590 6.630 -6.032 242 2HG2 ILE 30 HG22 ILE 30 -0.646 5.946 -4.708 243 3HG2 ILE 30 HG23 ILE 30 -2.361 6.304 -4.479 244 1HD1 ILE 30 HD11 ILE 30 0.498 2.778 -4.000 245 2HD1 ILE 30 HD12 ILE 30 -0.966 3.530 -3.367 246 3HD1 ILE 30 HD13 ILE 30 0.360 4.535 -3.953 247 HA PRO 31 HA PRO 31 -6.312 6.556 -3.433 248 1HB PRO 31 HB2 PRO 31 -4.834 8.636 -2.297 249 2HB PRO 31 HB1 PRO 31 -5.599 7.314 -1.420 250 1HG PRO 31 HG2 PRO 31 -2.763 7.620 -2.290 251 2HG PRO 31 HG1 PRO 31 -3.412 6.919 -0.797 252 1HD PRO 31 HD1 PRO 31 -2.506 5.357 -2.759 253 2HD PRO 31 HD2 PRO 31 -3.952 4.912 -1.828 254 H GLU 32 HN GLU 32 -7.076 7.477 -5.220 255 HA GLU 32 HA GLU 32 -5.582 8.698 -7.238 256 1HB GLU 32 HB1 GLU 32 -8.352 8.172 -6.676 257 2HB GLU 32 HB2 GLU 32 -8.176 9.791 -7.340 258 1HG GLU 32 HG2 GLU 32 -6.697 8.604 -9.119 259 2HG GLU 32 HG1 GLU 32 -7.549 7.157 -8.584 260 H GLY 33 HN GLY 33 -5.868 9.896 -4.219 261 1HA GLY 33 HA1 GLY 33 -6.441 12.649 -4.856 262 2HA GLY 33 HA2 GLY 33 -5.941 12.021 -3.294 263 H THR 34 HN THR 34 -3.525 10.810 -3.979 264 HA THR 34 HA THR 34 -1.940 13.044 -5.049 265 HB THR 34 HB THR 34 -0.819 11.448 -2.795 266 HG1 THR 34 HG1 THR 34 -1.839 13.306 -1.506 267 1HG2 THR 34 HG21 THR 34 -0.402 14.104 -3.991 268 2HG2 THR 34 HG22 THR 34 0.754 12.975 -3.284 269 3HG2 THR 34 HG23 THR 34 -0.237 13.993 -2.238 270 H GLU 35 HN GLU 35 0.388 11.204 -4.017 271 HA GLU 35 HA GLU 35 0.290 9.217 -6.178 272 1HB GLU 35 HB2 GLU 35 2.672 9.757 -6.696 273 2HB GLU 35 HB1 GLU 35 1.550 11.052 -7.090 274 1HG GLU 35 HG1 GLU 35 2.300 11.650 -4.517 275 2HG GLU 35 HG2 GLU 35 3.781 11.013 -5.229 276 H LEU 36 HN LEU 36 2.166 7.655 -5.973 277 HA LEU 36 HA LEU 36 2.111 6.574 -3.319 278 1HB LEU 36 HB1 LEU 36 4.021 5.135 -4.736 279 2HB LEU 36 HB2 LEU 36 2.334 4.714 -4.518 280 HG LEU 36 HG LEU 36 1.930 6.154 -6.635 281 1HD1 LEU 36 HD11 LEU 36 4.385 5.504 -7.859 282 2HD1 LEU 36 HD12 LEU 36 4.762 6.370 -6.370 283 3HD1 LEU 36 HD13 LEU 36 3.699 7.103 -7.572 284 1HD2 LEU 36 HD21 LEU 36 2.382 3.452 -6.193 285 2HD2 LEU 36 HD22 LEU 36 3.371 3.843 -7.600 286 3HD2 LEU 36 HD23 LEU 36 1.641 4.182 -7.617 287 H HIS 37 HN HIS 37 4.457 5.522 -2.720 288 HA HIS 37 HA HIS 37 6.414 7.718 -2.687 289 1HB HIS 37 HB1 HIS 37 5.227 7.682 -0.546 290 2HB HIS 37 HB2 HIS 37 5.585 5.975 -0.360 291 HD2 HIS 37 HD2 HIS 37 7.924 5.383 0.846 292 HE1 HIS 37 HE1 HIS 37 9.478 9.323 0.857 293 HE2 HIS 37 HE2 HIS 37 9.834 6.943 1.660 294 H LYS 38 HN LYS 38 6.382 4.558 -1.154 295 HA LYS 38 HA LYS 38 8.143 3.327 -3.039 296 1HB LYS 38 HB2 LYS 38 10.041 4.200 -2.195 297 2HB LYS 38 HB1 LYS 38 9.224 4.810 -0.766 298 1HG LYS 38 HG2 LYS 38 10.818 3.321 0.048 299 2HG LYS 38 HG1 LYS 38 9.299 2.423 0.101 300 1HD LYS 38 HD2 LYS 38 10.112 0.867 -1.270 301 2HD LYS 38 HD1 LYS 38 10.571 2.089 -2.455 302 1HE LYS 38 HE1 LYS 38 12.718 2.228 -1.687 303 2HE LYS 38 HE2 LYS 38 12.272 1.778 -0.040 304 1HZ LYS 38 HZ1 LYS 38 13.556 0.049 -1.182 305 2HZ LYS 38 HZ2 LYS 38 12.337 -0.090 -2.348 306 3HZ LYS 38 HZ3 LYS 38 12.017 -0.496 -0.737 307 H ILE 39 HN ILE 39 7.833 1.178 -2.936 308 HA ILE 39 HA ILE 39 6.162 0.167 -0.788 309 HB ILE 39 HB ILE 39 7.037 -1.412 -3.179 310 1HG1 ILE 39 HG11 ILE 39 4.931 0.740 -2.971 311 2HG1 ILE 39 HG12 ILE 39 6.205 0.577 -4.174 312 1HG2 ILE 39 HG21 ILE 39 4.615 -1.466 -1.384 313 2HG2 ILE 39 HG22 ILE 39 5.917 -2.654 -1.447 314 3HG2 ILE 39 HG23 ILE 39 4.822 -2.471 -2.818 315 1HD1 ILE 39 HD11 ILE 39 4.433 -0.104 -5.407 316 2HD1 ILE 39 HD12 ILE 39 3.566 -0.745 -4.010 317 3HD1 ILE 39 HD13 ILE 39 4.902 -1.658 -4.713 318 H ASP 40 HN ASP 40 6.542 -1.901 0.216 319 HA ASP 40 HA ASP 40 9.406 -2.556 0.492 320 1HB ASP 40 HB1 ASP 40 7.799 -1.460 2.430 321 2HB ASP 40 HB2 ASP 40 7.669 -3.182 2.776 322 H GLU 41 HN GLU 41 9.964 -4.641 0.275 323 HA GLU 41 HA GLU 41 7.856 -6.596 -0.233 324 1HB GLU 41 HB2 GLU 41 9.887 -8.045 -0.858 325 2HB GLU 41 HB1 GLU 41 9.491 -6.692 -1.910 326 1HG GLU 41 HG2 GLU 41 11.291 -5.429 -1.184 327 2HG GLU 41 HG1 GLU 41 11.475 -6.373 0.293 328 H GLU 42 HN GLU 42 7.313 -6.465 2.121 329 HA GLU 42 HA GLU 42 9.188 -7.973 3.791 330 1HB GLU 42 HB1 GLU 42 7.298 -5.804 4.301 331 2HB GLU 42 HB2 GLU 42 7.209 -7.104 5.483 332 1HG GLU 42 HG1 GLU 42 8.866 -5.061 5.745 333 2HG GLU 42 HG2 GLU 42 9.269 -6.686 6.315 334 HA PRO 43 HA PRO 43 6.407 -11.377 3.769 335 1HB PRO 43 HB1 PRO 43 7.678 -12.809 5.759 336 2HB PRO 43 HB2 PRO 43 8.188 -12.737 4.072 337 1HG PRO 43 HG2 PRO 43 9.504 -11.649 6.388 338 2HG PRO 43 HG1 PRO 43 10.053 -11.634 4.706 339 1HD PRO 43 HD1 PRO 43 8.790 -9.497 6.271 340 2HD PRO 43 HD2 PRO 43 9.708 -9.392 4.759 341 H ILE 44 HN ILE 44 4.868 -12.528 4.961 342 HA ILE 44 HA ILE 44 4.123 -11.311 7.537 343 HB ILE 44 HB ILE 44 2.050 -12.305 5.625 344 1HG1 ILE 44 HG12 ILE 44 3.458 -10.699 4.370 345 2HG1 ILE 44 HG11 ILE 44 1.839 -10.070 4.664 346 1HG2 ILE 44 HG21 ILE 44 0.558 -11.168 6.935 347 2HG2 ILE 44 HG22 ILE 44 1.746 -9.967 7.440 348 3HG2 ILE 44 HG23 ILE 44 1.777 -11.586 8.139 349 1HD1 ILE 44 HD11 ILE 44 2.830 -8.232 5.416 350 2HD1 ILE 44 HD12 ILE 44 4.410 -9.016 5.457 351 3HD1 ILE 44 HD13 ILE 44 3.312 -9.172 6.829 352 H ALA 45 HN ALA 45 2.503 -13.863 5.723 353 HA ALA 45 HA ALA 45 2.271 -15.537 7.998 354 1HB ALA 45 HB1 ALA 45 0.810 -16.678 6.748 355 2HB ALA 45 HB2 ALA 45 1.956 -16.873 5.421 356 3HB ALA 45 HB3 ALA 45 1.022 -15.384 5.568 357 H PHE 46 HN PHE 46 2.806 -18.063 6.561 358 HA PHE 46 HA PHE 46 5.489 -18.439 7.437 359 1HB PHE 46 HB2 PHE 46 3.393 -20.149 6.165 360 2HB PHE 46 HB1 PHE 46 5.059 -20.717 6.152 361 HD1 PHE 46 HD1 PHE 46 4.876 -22.564 7.587 362 HD2 PHE 46 HD2 PHE 46 3.450 -18.757 8.849 363 HE1 PHE 46 HE1 PHE 46 4.603 -23.427 9.876 364 HE2 PHE 46 HE2 PHE 46 3.175 -19.616 11.139 365 HZ PHE 46 HZ PHE 46 3.751 -21.952 11.654 366 H GLY 47 HN GLY 47 3.987 -17.767 4.365 367 1HA GLY 47 HA1 GLY 47 6.628 -17.385 3.193 368 2HA GLY 47 HA2 GLY 47 5.608 -18.588 2.424 369 H LEU 48 HN LEU 48 3.674 -16.168 3.686 370 HA LEU 48 HA LEU 48 3.292 -15.059 1.016 371 1HB LEU 48 HB2 LEU 48 1.603 -14.331 3.376 372 2HB LEU 48 HB1 LEU 48 1.163 -14.405 1.681 373 HG LEU 48 HG LEU 48 1.472 -16.689 3.618 374 1HD1 LEU 48 HD11 LEU 48 -0.841 -16.844 2.000 375 2HD1 LEU 48 HD12 LEU 48 -0.719 -15.185 2.588 376 3HD1 LEU 48 HD13 LEU 48 -0.736 -16.527 3.732 377 1HD2 LEU 48 HD21 LEU 48 1.528 -16.724 0.627 378 2HD2 LEU 48 HD22 LEU 48 0.844 -18.075 1.532 379 3HD2 LEU 48 HD23 LEU 48 2.529 -17.613 1.776 380 H VAL 49 HN VAL 49 4.634 -13.434 0.561 381 HA VAL 49 HA VAL 49 5.361 -11.507 2.615 382 HB VAL 49 HB VAL 49 6.335 -11.912 -0.207 383 1HG1 VAL 49 HG21 VAL 49 7.758 -10.073 1.632 384 2HG1 VAL 49 HG22 VAL 49 6.295 -9.477 0.849 385 3HG1 VAL 49 HG23 VAL 49 7.645 -10.054 -0.127 386 1HG2 VAL 49 HG11 VAL 49 7.173 -12.833 2.437 387 2HG2 VAL 49 HG12 VAL 49 8.476 -12.139 1.470 388 3HG2 VAL 49 HG13 VAL 49 7.532 -13.489 0.839 389 H ALA 50 HN ALA 50 4.437 -9.603 2.840 390 HA ALA 50 HA ALA 50 2.558 -8.637 0.850 391 1HB ALA 50 HB1 ALA 50 3.218 -7.433 3.529 392 2HB ALA 50 HB2 ALA 50 2.040 -8.727 3.305 393 3HB ALA 50 HB3 ALA 50 1.779 -7.156 2.547 394 H LEU 51 HN LEU 51 2.491 -6.275 0.438 395 HA LEU 51 HA LEU 51 5.199 -5.145 0.180 396 1HB LEU 51 HB1 LEU 51 2.916 -5.282 -1.752 397 2HB LEU 51 HB2 LEU 51 3.993 -3.902 -1.816 398 HG LEU 51 HG LEU 51 5.907 -5.462 -2.130 399 1HD1 LEU 51 HD11 LEU 51 5.456 -7.785 -2.712 400 2HD1 LEU 51 HD12 LEU 51 3.741 -7.545 -2.370 401 3HD1 LEU 51 HD13 LEU 51 4.925 -7.426 -1.068 402 1HD2 LEU 51 HD21 LEU 51 5.268 -6.138 -4.457 403 2HD2 LEU 51 HD22 LEU 51 5.006 -4.436 -4.075 404 3HD2 LEU 51 HD23 LEU 51 3.641 -5.553 -4.108 405 H ASN 52 HN ASN 52 5.443 -3.397 1.393 406 HA ASN 52 HA ASN 52 3.108 -1.972 2.382 407 1HB ASN 52 HB1 ASN 52 5.943 -1.232 3.055 408 2HB ASN 52 HB2 ASN 52 4.494 -1.102 4.048 409 1HD2 ASN 52 HD22 ASN 52 3.597 -3.796 3.436 410 2HD2 ASN 52 HD21 ASN 52 4.623 -4.861 4.329 411 H VAL 53 HN VAL 53 2.386 -0.874 0.632 412 HA VAL 53 HA VAL 53 4.127 0.856 -0.877 413 HB VAL 53 HB VAL 53 1.127 0.768 -1.071 414 1HG1 VAL 53 HG21 VAL 53 2.292 2.545 -2.290 415 2HG1 VAL 53 HG22 VAL 53 1.537 1.391 -3.389 416 3HG1 VAL 53 HG23 VAL 53 3.277 1.333 -3.109 417 1HG2 VAL 53 HG11 VAL 53 2.843 -1.434 -1.405 418 2HG2 VAL 53 HG12 VAL 53 2.379 -0.904 -3.022 419 3HG2 VAL 53 HG13 VAL 53 1.137 -1.311 -1.837 420 H MET 54 HN MET 54 4.802 2.574 0.275 421 HA MET 54 HA MET 54 2.981 4.115 1.911 422 1HB MET 54 HB1 MET 54 5.864 4.627 1.137 423 2HB MET 54 HB2 MET 54 4.959 5.539 2.336 424 1HG MET 54 HG1 MET 54 5.282 4.003 3.918 425 2HG MET 54 HG2 MET 54 4.957 2.664 2.818 426 1HE MET 54 HE1 MET 54 6.905 2.358 5.073 427 2HE MET 54 HE2 MET 54 8.455 1.829 4.418 428 3HE MET 54 HE3 MET 54 6.961 1.068 3.871 429 H VAL 55 HN VAL 55 2.884 6.520 1.617 430 HA VAL 55 HA VAL 55 2.993 7.322 -1.198 431 HB VAL 55 HB VAL 55 0.777 8.098 -1.294 432 1HG1 VAL 55 HG11 VAL 55 -0.586 6.123 -0.819 433 2HG1 VAL 55 HG12 VAL 55 0.719 5.469 0.172 434 3HG1 VAL 55 HG13 VAL 55 0.953 5.688 -1.563 435 1HG2 VAL 55 HG21 VAL 55 0.649 9.128 0.915 436 2HG2 VAL 55 HG22 VAL 55 0.515 7.534 1.656 437 3HG2 VAL 55 HG23 VAL 55 -0.767 8.126 0.599 438 H VAL 56 HN VAL 56 3.596 9.400 -1.528 439 HA VAL 56 HA VAL 56 4.198 10.991 0.861 440 HB VAL 56 HB VAL 56 5.099 12.237 -1.570 441 1HG1 VAL 56 HG11 VAL 56 7.210 12.247 -0.437 442 2HG1 VAL 56 HG12 VAL 56 6.681 10.974 0.662 443 3HG1 VAL 56 HG13 VAL 56 5.944 12.575 0.746 444 1HG2 VAL 56 HG21 VAL 56 5.533 9.313 -1.343 445 2HG2 VAL 56 HG22 VAL 56 6.901 10.307 -1.846 446 3HG2 VAL 56 HG23 VAL 56 5.402 10.332 -2.775 447 H VAL 57 HN VAL 57 2.786 12.494 1.455 448 HA VAL 57 HA VAL 57 1.363 13.985 -0.643 449 HB VAL 57 HB VAL 57 -0.677 14.014 0.602 450 1HG1 VAL 57 HG21 VAL 57 -0.274 11.166 0.983 451 2HG1 VAL 57 HG22 VAL 57 0.380 11.738 -0.551 452 3HG1 VAL 57 HG23 VAL 57 -1.315 12.019 -0.157 453 1HG2 VAL 57 HG11 VAL 57 -0.267 12.156 2.690 454 2HG2 VAL 57 HG12 VAL 57 -0.691 13.864 2.815 455 3HG2 VAL 57 HG13 VAL 57 1.002 13.374 2.814 456 H GLY 58 HN GLY 58 0.904 16.157 -0.188 457 1HA GLY 58 HA2 GLY 58 1.559 17.355 2.327 458 2HA GLY 58 HA1 GLY 58 2.810 17.635 1.125 459 H ASP 59 HN ASP 59 1.955 18.468 -1.029 460 HA ASP 59 HA ASP 59 0.344 20.799 -0.481 461 1HB ASP 59 HB2 ASP 59 2.412 20.738 -1.978 462 2HB ASP 59 HB1 ASP 59 1.399 19.934 -3.173 463 H ALA 60 HN ALA 60 -0.335 17.667 -1.249 464 HA ALA 60 HA ALA 60 -2.385 17.938 -3.187 465 1HB ALA 60 HB1 ALA 60 -2.688 15.689 -2.956 466 2HB ALA 60 HB2 ALA 60 -2.466 15.725 -1.208 467 3HB ALA 60 HB3 ALA 60 -1.068 15.840 -2.276 468 H GLU 61 HN GLU 61 -4.355 16.314 -1.680 469 HA GLU 61 HA GLU 61 -5.389 18.165 0.313 470 1HB GLU 61 HB1 GLU 61 -7.669 17.693 -1.120 471 2HB GLU 61 HB2 GLU 61 -6.719 19.170 -1.200 472 1HG GLU 61 HG1 GLU 61 -5.423 18.054 -3.077 473 2HG GLU 61 HG2 GLU 61 -6.702 16.840 -3.089 474 H GLY 62 HN GLY 62 -7.943 17.120 0.542 475 1HA GLY 62 HA1 GLY 62 -7.357 14.593 1.824 476 2HA GLY 62 HA2 GLY 62 -8.891 15.455 1.860 477 H GLY 63 HN GLY 63 -7.552 15.102 -1.241 478 1HA GLY 63 HA2 GLY 63 -9.731 13.497 -2.139 479 2HA GLY 63 HA1 GLY 63 -8.339 13.983 -3.095 480 H THR 64 HN THR 64 -7.001 12.605 -0.479 481 HA THR 64 HA THR 64 -6.358 10.197 -1.889 482 HB THR 64 HB THR 64 -4.808 9.764 -0.201 483 HG1 THR 64 HG1 THR 64 -5.225 11.201 1.851 484 1HG2 THR 64 HG21 THR 64 -5.207 12.730 -0.321 485 2HG2 THR 64 HG22 THR 64 -4.014 11.740 -1.163 486 3HG2 THR 64 HG23 THR 64 -3.888 11.984 0.579 487 H GLU 65 HN GLU 65 -9.011 11.100 -0.201 488 HA GLU 65 HA GLU 65 -9.668 8.963 1.469 489 1HB GLU 65 HB2 GLU 65 -12.030 9.593 0.958 490 2HB GLU 65 HB1 GLU 65 -11.022 10.951 1.434 491 1HG GLU 65 HG2 GLU 65 -11.303 11.993 -0.514 492 2HG GLU 65 HG1 GLU 65 -11.083 10.510 -1.442 493 H ALA 66 HN ALA 66 -9.494 9.228 -1.939 494 HA ALA 66 HA ALA 66 -11.211 7.238 -2.814 495 1HB ALA 66 HB1 ALA 66 -9.079 7.025 -4.538 496 2HB ALA 66 HB2 ALA 66 -8.913 8.658 -3.894 497 3HB ALA 66 HB3 ALA 66 -10.415 8.168 -4.679 498 H ALA 67 HN ALA 67 -8.146 6.950 -1.204 499 HA ALA 67 HA ALA 67 -7.459 4.332 -1.931 500 1HB ALA 67 HB1 ALA 67 -6.361 6.261 -0.318 501 2HB ALA 67 HB2 ALA 67 -5.751 4.618 -0.519 502 3HB ALA 67 HB3 ALA 67 -6.816 5.004 0.832 503 H GLU 68 HN GLU 68 -9.162 5.477 0.987 504 HA GLU 68 HA GLU 68 -9.849 2.954 1.983 505 1HB GLU 68 HB1 GLU 68 -11.407 5.531 2.279 506 2HB GLU 68 HB2 GLU 68 -11.525 4.119 3.320 507 1HG GLU 68 HG2 GLU 68 -8.815 4.821 3.289 508 2HG GLU 68 HG1 GLU 68 -9.709 6.333 3.446 509 H GLU 69 HN GLU 69 -11.349 4.988 -0.445 510 HA GLU 69 HA GLU 69 -13.834 3.671 -0.633 511 1HB GLU 69 HB1 GLU 69 -12.580 5.824 -1.899 512 2HB GLU 69 HB2 GLU 69 -12.862 4.657 -3.184 513 1HG GLU 69 HG2 GLU 69 -15.181 4.688 -2.858 514 2HG GLU 69 HG1 GLU 69 -15.034 5.468 -1.284 515 H SER 70 HN SER 70 -10.826 3.297 -2.477 516 HA SER 70 HA SER 70 -11.704 1.127 -4.057 517 1HB SER 70 HB2 SER 70 -9.579 1.120 -4.934 518 2HB SER 70 HB1 SER 70 -9.571 2.729 -4.209 519 HG SER 70 HG SER 70 -7.856 1.977 -3.238 520 H LEU 71 HN LEU 71 -10.696 1.387 -0.799 521 HA LEU 71 HA LEU 71 -9.773 -1.283 -0.432 522 1HB LEU 71 HB2 LEU 71 -10.108 1.087 1.148 523 2HB LEU 71 HB1 LEU 71 -10.756 -0.290 2.015 524 HG LEU 71 HG LEU 71 -8.446 0.089 2.644 525 1HD1 LEU 71 HD11 LEU 71 -9.507 -2.291 2.056 526 2HD1 LEU 71 HD12 LEU 71 -7.866 -2.096 2.675 527 3HD1 LEU 71 HD13 LEU 71 -8.139 -2.306 0.944 528 1HD2 LEU 71 HD21 LEU 71 -6.625 -0.032 1.079 529 2HD2 LEU 71 HD22 LEU 71 -7.759 1.209 0.544 530 3HD2 LEU 71 HD23 LEU 71 -7.736 -0.367 -0.248 531 H SER 72 HN SER 72 -12.867 0.282 -0.402 532 HA SER 72 HA SER 72 -14.344 -1.658 1.014 533 1HB SER 72 HB1 SER 72 -14.910 0.797 0.058 534 2HB SER 72 HB2 SER 72 -15.689 -0.186 -1.183 535 HG SER 72 HG SER 72 -16.172 -0.223 1.609 536 H GLY 73 HN GLY 73 -12.847 -1.782 -2.005 537 1HA GLY 73 HA2 GLY 73 -14.099 -4.352 -2.573 538 2HA GLY 73 HA1 GLY 73 -14.282 -3.112 -3.805 539 H ILE 74 HN ILE 74 -11.452 -3.223 -1.848 540 HA ILE 74 HA ILE 74 -9.734 -3.448 -4.110 541 HB ILE 74 HB ILE 74 -9.386 -2.219 -1.840 542 1HG1 ILE 74 HG12 ILE 74 -6.897 -3.625 -2.667 543 2HG1 ILE 74 HG11 ILE 74 -7.765 -2.715 -3.900 544 1HG2 ILE 74 HG21 ILE 74 -8.117 -3.405 -0.182 545 2HG2 ILE 74 HG22 ILE 74 -8.147 -4.876 -1.155 546 3HG2 ILE 74 HG23 ILE 74 -9.642 -4.247 -0.462 547 1HD1 ILE 74 HD11 ILE 74 -5.990 -1.415 -2.807 548 2HD1 ILE 74 HD12 ILE 74 -6.838 -1.587 -1.271 549 3HD1 ILE 74 HD13 ILE 74 -7.587 -0.699 -2.598 550 H GLU 75 HN GLU 75 -7.629 -5.023 -3.136 551 HA GLU 75 HA GLU 75 -8.171 -7.543 -4.130 552 1HB GLU 75 HB2 GLU 75 -6.034 -6.274 -2.570 553 2HB GLU 75 HB1 GLU 75 -6.169 -8.005 -2.287 554 1HG GLU 75 HG2 GLU 75 -4.601 -7.716 -4.020 555 2HG GLU 75 HG1 GLU 75 -6.077 -8.318 -4.773 556 H GLY 76 HN GLY 76 -10.039 -8.476 -3.357 557 1HA GLY 76 HA1 GLY 76 -10.773 -8.692 -0.649 558 2HA GLY 76 HA2 GLY 76 -11.370 -9.710 -1.951 559 H VAL 77 HN VAL 77 -8.586 -10.548 -2.599 560 HA VAL 77 HA VAL 77 -8.422 -12.706 -0.650 561 HB VAL 77 HB VAL 77 -8.245 -12.946 -3.228 562 1HG1 VAL 77 HG11 VAL 77 -5.974 -12.871 -4.113 563 2HG1 VAL 77 HG12 VAL 77 -5.395 -12.215 -2.581 564 3HG1 VAL 77 HG13 VAL 77 -6.508 -11.278 -3.579 565 1HG2 VAL 77 HG21 VAL 77 -7.997 -14.859 -1.869 566 2HG2 VAL 77 HG22 VAL 77 -6.449 -14.301 -1.231 567 3HG2 VAL 77 HG23 VAL 77 -6.572 -14.837 -2.907 568 H SER 78 HN SER 78 -6.546 -10.009 -1.859 569 HA SER 78 HA SER 78 -4.429 -10.520 0.080 570 1HB SER 78 HB2 SER 78 -4.382 -8.171 -1.770 571 2HB SER 78 HB1 SER 78 -3.055 -9.203 -1.242 572 HG SER 78 HG SER 78 -5.107 -9.974 -3.043 573 H ASN 79 HN ASN 79 -5.443 -9.951 2.026 574 HA ASN 79 HA ASN 79 -6.739 -7.380 2.281 575 1HB ASN 79 HB2 ASN 79 -7.128 -9.586 3.708 576 2HB ASN 79 HB1 ASN 79 -5.858 -8.878 4.703 577 1HD2 ASN 79 HD21 ASN 79 -6.376 -6.208 4.708 578 2HD2 ASN 79 HD22 ASN 79 -7.946 -5.904 5.357 579 H ILE 80 HN ILE 80 -5.903 -5.562 3.024 580 HA ILE 80 HA ILE 80 -3.009 -5.516 3.326 581 HB ILE 80 HB ILE 80 -4.896 -3.201 2.978 582 1HG1 ILE 80 HG11 ILE 80 -3.528 -3.630 0.579 583 2HG1 ILE 80 HG12 ILE 80 -4.059 -5.232 1.084 584 1HG2 ILE 80 HG21 ILE 80 -2.316 -2.805 1.869 585 2HG2 ILE 80 HG22 ILE 80 -2.143 -3.377 3.527 586 3HG2 ILE 80 HG23 ILE 80 -3.105 -1.940 3.186 587 1HD1 ILE 80 HD11 ILE 80 -5.560 -3.594 -0.377 588 2HD1 ILE 80 HD12 ILE 80 -6.061 -3.072 1.232 589 3HD1 ILE 80 HD13 ILE 80 -6.237 -4.761 0.757 590 H GLU 81 HN GLU 81 -1.968 -4.421 4.951 591 HA GLU 81 HA GLU 81 -3.426 -4.109 7.453 592 1HB GLU 81 HB2 GLU 81 -1.147 -5.247 7.337 593 2HB GLU 81 HB1 GLU 81 -0.475 -3.667 6.958 594 1HG GLU 81 HG1 GLU 81 -0.557 -2.994 9.081 595 2HG GLU 81 HG2 GLU 81 -2.170 -3.663 9.329 596 H VAL 82 HN VAL 82 -4.632 -2.438 6.310 597 HA VAL 82 HA VAL 82 -3.308 -0.033 5.510 598 HB VAL 82 HB VAL 82 -6.257 -0.642 5.822 599 1HG1 VAL 82 HG21 VAL 82 -4.843 1.793 5.210 600 2HG1 VAL 82 HG22 VAL 82 -6.580 1.530 5.381 601 3HG1 VAL 82 HG23 VAL 82 -5.800 1.285 3.817 602 1HG2 VAL 82 HG11 VAL 82 -5.601 -2.131 4.211 603 2HG2 VAL 82 HG12 VAL 82 -4.301 -1.091 3.621 604 3HG2 VAL 82 HG13 VAL 82 -5.980 -0.713 3.229 605 H THR 83 HN THR 83 -2.504 -0.315 7.989 606 HA THR 83 HA THR 83 -3.950 1.776 9.442 607 HB THR 83 HB THR 83 -2.674 -0.490 10.939 608 HG1 THR 83 HG1 THR 83 -4.210 -1.428 9.544 609 1HG2 THR 83 HG21 THR 83 -5.118 1.023 11.736 610 2HG2 THR 83 HG22 THR 83 -3.508 1.688 12.015 611 3HG2 THR 83 HG23 THR 83 -3.963 0.146 12.741 612 H ASP 84 HN ASP 84 -1.187 1.068 7.897 613 HA ASP 84 HA ASP 84 0.664 1.952 9.953 614 1HB ASP 84 HB2 ASP 84 1.030 1.094 7.087 615 2HB ASP 84 HB1 ASP 84 2.348 1.733 8.066 616 H VAL 85 HN VAL 85 1.742 3.871 9.982 617 HA VAL 85 HA VAL 85 1.199 5.860 7.923 618 HB VAL 85 HB VAL 85 -0.588 5.964 9.751 619 1HG1 VAL 85 HG11 VAL 85 1.438 7.468 11.349 620 2HG1 VAL 85 HG12 VAL 85 1.284 5.722 11.542 621 3HG1 VAL 85 HG13 VAL 85 -0.100 6.768 11.857 622 1HG2 VAL 85 HG21 VAL 85 -0.817 8.268 9.488 623 2HG2 VAL 85 HG22 VAL 85 0.133 7.783 8.084 624 3HG2 VAL 85 HG23 VAL 85 0.927 8.534 9.468 625 H ARG 86 HN ARG 86 2.534 7.767 8.110 626 HA ARG 86 HA ARG 86 4.780 7.669 9.949 627 1HB ARG 86 HB1 ARG 86 5.046 7.368 6.967 628 2HB ARG 86 HB2 ARG 86 6.351 8.031 7.943 629 1HG ARG 86 HG2 ARG 86 5.697 5.743 9.298 630 2HG ARG 86 HG1 ARG 86 5.471 5.281 7.611 631 1HD ARG 86 HD2 ARG 86 7.750 6.266 7.161 632 2HD ARG 86 HD1 ARG 86 7.949 6.386 8.909 633 HE ARG 86 HE ARG 86 7.581 3.849 7.450 634 1HH1 ARG 86 HH11 ARG 86 8.883 5.700 10.101 635 2HH1 ARG 86 HH12 ARG 86 9.741 4.360 10.782 636 1HH2 ARG 86 HH22 ARG 86 8.708 2.081 8.341 637 2HH2 ARG 86 HH21 ARG 86 9.643 2.302 9.782 638 H ARG 87 HN ARG 87 3.823 9.574 10.733 639 HA ARG 87 HA ARG 87 3.425 11.840 9.011 640 1HB ARG 87 HB1 ARG 87 3.215 11.374 11.971 641 2HB ARG 87 HB2 ARG 87 3.167 13.009 11.324 642 1HG ARG 87 HG1 ARG 87 1.377 11.344 9.839 643 2HG ARG 87 HG2 ARG 87 1.051 11.182 11.566 644 1HD ARG 87 HD2 ARG 87 1.323 13.839 11.425 645 2HD ARG 87 HD1 ARG 87 0.757 13.526 9.785 646 HE ARG 87 HE ARG 87 -0.723 12.996 12.260 647 1HH1 ARG 87 HH22 ARG 87 -0.607 13.148 8.781 648 2HH1 ARG 87 HH21 ARG 87 -2.325 13.049 8.592 649 1HH2 ARG 87 HH11 ARG 87 -2.986 12.865 12.020 650 2HH2 ARG 87 HH12 ARG 87 -3.678 12.888 10.432 651 H LEU 88 HN LEU 88 5.434 12.253 8.073 652 HA LEU 88 HA LEU 88 7.742 12.768 9.737 653 1HB LEU 88 HB1 LEU 88 7.198 12.837 6.796 654 2HB LEU 88 HB2 LEU 88 8.606 13.661 7.428 655 HG LEU 88 HG LEU 88 9.417 11.536 8.367 656 1HD1 LEU 88 HD21 LEU 88 7.406 10.341 8.779 657 2HD1 LEU 88 HD22 LEU 88 8.290 9.442 7.545 658 3HD1 LEU 88 HD23 LEU 88 6.915 10.450 7.088 659 1HD2 LEU 88 HD11 LEU 88 9.113 10.560 5.720 660 2HD2 LEU 88 HD12 LEU 88 10.497 11.385 6.439 661 3HD2 LEU 88 HD13 LEU 88 9.220 12.321 5.656 662 H MET 89 HN MET 89 6.847 14.471 11.045 663 HA MET 89 HA MET 89 6.216 16.982 9.715 664 1HB MET 89 HB2 MET 89 6.223 16.286 12.651 665 2HB MET 89 HB1 MET 89 5.601 17.770 11.943 666 1HG MET 89 HG1 MET 89 3.698 16.794 11.220 667 2HG MET 89 HG2 MET 89 4.481 15.248 10.899 668 1HE MET 89 HE1 MET 89 4.802 16.211 15.113 669 2HE MET 89 HE2 MET 89 3.383 17.174 14.703 670 3HE MET 89 HE3 MET 89 4.882 17.379 13.794 Start of MODEL 2 1 1H MET 1 HT1 MET 1 12.687 17.581 7.035 2 2H MET 1 HT2 MET 1 11.692 18.668 7.914 3 3H MET 1 HT3 MET 1 11.952 18.910 6.235 4 HA MET 1 HA MET 1 10.579 17.270 5.618 5 1HB MET 1 HB2 MET 1 11.821 15.989 7.852 6 2HB MET 1 HB1 MET 1 10.081 15.775 7.989 7 1HG MET 1 HG1 MET 1 11.075 13.929 6.794 8 2HG MET 1 HG2 MET 1 10.010 14.851 5.734 9 1HE MET 1 HE1 MET 1 10.811 13.630 3.918 10 2HE MET 1 HE2 MET 1 12.408 12.908 4.112 11 3HE MET 1 HE3 MET 1 12.149 14.165 2.902 12 H GLY 2 HN GLY 2 8.351 17.268 5.702 13 1HA GLY 2 HA1 GLY 2 6.879 18.121 8.005 14 2HA GLY 2 HA2 GLY 2 7.003 19.392 6.795 15 H ASP 3 HN ASP 3 7.122 16.380 5.370 16 HA ASP 3 HA ASP 3 4.397 16.690 4.359 17 1HB ASP 3 HB1 ASP 3 6.430 14.680 3.404 18 2HB ASP 3 HB2 ASP 3 5.033 15.314 2.539 19 H VAL 4 HN VAL 4 3.091 14.708 4.026 20 HA VAL 4 HA VAL 4 3.359 12.907 6.339 21 HB VAL 4 HB VAL 4 0.808 13.037 4.813 22 1HG1 VAL 4 HG21 VAL 4 0.343 11.654 6.501 23 2HG1 VAL 4 HG22 VAL 4 0.323 13.087 7.529 24 3HG1 VAL 4 HG23 VAL 4 1.794 12.125 7.387 25 1HG2 VAL 4 HG11 VAL 4 0.834 15.301 5.010 26 2HG2 VAL 4 HG12 VAL 4 1.963 15.281 6.365 27 3HG2 VAL 4 HG13 VAL 4 0.260 14.905 6.631 28 H VAL 5 HN VAL 5 3.747 10.798 5.989 29 HA VAL 5 HA VAL 5 3.323 9.750 3.261 30 HB VAL 5 HB VAL 5 5.479 8.945 5.226 31 1HG1 VAL 5 HG11 VAL 5 5.263 6.964 4.172 32 2HG1 VAL 5 HG12 VAL 5 6.163 7.775 2.892 33 3HG1 VAL 5 HG13 VAL 5 4.406 7.665 2.800 34 1HG2 VAL 5 HG21 VAL 5 6.993 9.788 3.435 35 2HG2 VAL 5 HG22 VAL 5 6.011 11.044 4.188 36 3HG2 VAL 5 HG23 VAL 5 5.577 10.421 2.596 37 H ALA 6 HN ALA 6 1.706 8.315 3.204 38 HA ALA 6 HA ALA 6 0.967 6.864 5.632 39 1HB ALA 6 HB1 ALA 6 -0.506 6.518 3.069 40 2HB ALA 6 HB2 ALA 6 -0.640 8.059 3.917 41 3HB ALA 6 HB3 ALA 6 -1.114 6.563 4.723 42 H THR 7 HN THR 7 0.369 4.480 5.308 43 HA THR 7 HA THR 7 2.044 3.190 3.300 44 HB THR 7 HB THR 7 2.234 2.383 6.194 45 HG1 THR 7 HG1 THR 7 4.501 3.338 5.566 46 1HG2 THR 7 HG21 THR 7 4.319 1.280 5.408 47 2HG2 THR 7 HG22 THR 7 3.821 1.637 3.752 48 3HG2 THR 7 HG23 THR 7 2.831 0.581 4.767 49 H ILE 8 HN ILE 8 1.176 1.516 2.411 50 HA ILE 8 HA ILE 8 -1.150 0.208 3.668 51 HB ILE 8 HB ILE 8 -0.661 0.524 0.706 52 1HG1 ILE 8 HG12 ILE 8 -0.908 2.732 1.918 53 2HG1 ILE 8 HG11 ILE 8 -2.117 2.420 0.677 54 1HG2 ILE 8 HG21 ILE 8 -3.249 0.218 0.835 55 2HG2 ILE 8 HG22 ILE 8 -2.870 -0.527 2.391 56 3HG2 ILE 8 HG23 ILE 8 -2.166 -1.174 0.907 57 1HD1 ILE 8 HD11 ILE 8 -2.641 3.276 3.202 58 2HD1 ILE 8 HD12 ILE 8 -2.908 1.538 3.346 59 3HD1 ILE 8 HD13 ILE 8 -3.799 2.471 2.141 60 H LYS 9 HN LYS 9 -0.446 -1.761 4.366 61 HA LYS 9 HA LYS 9 1.584 -3.198 2.815 62 1HB LYS 9 HB1 LYS 9 0.668 -4.418 5.315 63 2HB LYS 9 HB2 LYS 9 2.297 -4.114 4.731 64 1HG LYS 9 HG2 LYS 9 0.897 -1.674 5.475 65 2HG LYS 9 HG1 LYS 9 1.041 -2.817 6.805 66 1HD LYS 9 HD2 LYS 9 3.408 -2.146 5.109 67 2HD LYS 9 HD1 LYS 9 2.912 -1.095 6.436 68 1HE LYS 9 HE1 LYS 9 3.253 -2.783 8.041 69 2HE LYS 9 HE2 LYS 9 3.368 -4.038 6.809 70 1HZ LYS 9 HZ1 LYS 9 5.334 -2.112 6.298 71 2HZ LYS 9 HZ2 LYS 9 5.543 -3.729 6.749 72 3HZ LYS 9 HZ3 LYS 9 5.432 -2.529 7.934 73 H VAL 10 HN VAL 10 0.479 -4.143 1.153 74 HA VAL 10 HA VAL 10 -1.922 -5.679 1.722 75 HB VAL 10 HB VAL 10 -2.551 -5.288 -0.379 76 1HG1 VAL 10 HG21 VAL 10 -2.035 -3.181 -0.845 77 2HG1 VAL 10 HG22 VAL 10 -0.396 -3.627 -1.317 78 3HG1 VAL 10 HG23 VAL 10 -0.763 -3.277 0.373 79 1HG2 VAL 10 HG11 VAL 10 0.192 -5.802 -1.502 80 2HG2 VAL 10 HG12 VAL 10 -1.358 -5.852 -2.343 81 3HG2 VAL 10 HG13 VAL 10 -0.965 -7.085 -1.146 82 H MET 11 HN MET 11 -2.139 -7.862 1.626 83 HA MET 11 HA MET 11 0.042 -9.471 0.584 84 1HB MET 11 HB2 MET 11 0.764 -10.418 2.507 85 2HB MET 11 HB1 MET 11 0.154 -8.933 3.219 86 1HG MET 11 HG1 MET 11 -1.549 -9.959 4.271 87 2HG MET 11 HG2 MET 11 -1.789 -11.134 2.979 88 1HE MET 11 HE1 MET 11 -0.545 -13.155 2.578 89 2HE MET 11 HE2 MET 11 -1.566 -13.700 3.910 90 3HE MET 11 HE3 MET 11 0.142 -14.138 3.871 91 HA PRO 12 HA PRO 12 -3.564 -11.709 -0.809 92 1HB PRO 12 HB1 PRO 12 -1.625 -13.553 -2.015 93 2HB PRO 12 HB2 PRO 12 -2.781 -12.474 -2.801 94 1HG PRO 12 HG1 PRO 12 -0.129 -12.030 -2.886 95 2HG PRO 12 HG2 PRO 12 -1.305 -10.705 -2.835 96 1HD PRO 12 HD2 PRO 12 0.316 -11.882 -0.595 97 2HD PRO 12 HD1 PRO 12 0.034 -10.173 -0.998 98 H GLU 13 HN GLU 13 -4.657 -13.043 0.472 99 HA GLU 13 HA GLU 13 -3.566 -14.623 2.490 100 1HB GLU 13 HB1 GLU 13 -6.219 -14.382 1.187 101 2HB GLU 13 HB2 GLU 13 -5.924 -15.863 2.088 102 1HG GLU 13 HG2 GLU 13 -5.749 -14.763 4.104 103 2HG GLU 13 HG1 GLU 13 -5.337 -13.225 3.348 104 H SER 14 HN SER 14 -4.177 -15.344 -0.869 105 HA SER 14 HA SER 14 -3.825 -18.182 -0.575 106 1HB SER 14 HB1 SER 14 -4.333 -18.334 -2.822 107 2HB SER 14 HB2 SER 14 -5.087 -16.786 -2.448 108 HG SER 14 HG SER 14 -3.295 -17.222 -4.267 109 HA PRO 15 HA PRO 15 0.570 -18.412 -0.907 110 1HB PRO 15 HB2 PRO 15 0.900 -20.705 -2.327 111 2HB PRO 15 HB1 PRO 15 0.397 -20.690 -0.633 112 1HG PRO 15 HG2 PRO 15 -1.265 -20.994 -3.105 113 2HG PRO 15 HG1 PRO 15 -1.370 -21.878 -1.571 114 1HD PRO 15 HD2 PRO 15 -3.044 -19.842 -2.204 115 2HD PRO 15 HD1 PRO 15 -2.548 -20.189 -0.536 116 H ASP 16 HN ASP 16 -1.428 -17.793 -3.489 117 HA ASP 16 HA ASP 16 0.665 -17.761 -5.520 118 1HB ASP 16 HB2 ASP 16 -2.215 -17.890 -5.534 119 2HB ASP 16 HB1 ASP 16 -1.673 -16.532 -6.516 120 H VAL 17 HN VAL 17 1.130 -16.109 -3.339 121 HA VAL 17 HA VAL 17 0.264 -13.454 -3.670 122 HB VAL 17 HB VAL 17 2.778 -14.490 -2.346 123 1HG1 VAL 17 HG21 VAL 17 2.255 -12.207 -1.037 124 2HG1 VAL 17 HG22 VAL 17 1.669 -11.760 -2.642 125 3HG1 VAL 17 HG23 VAL 17 3.337 -12.294 -2.428 126 1HG2 VAL 17 HG11 VAL 17 1.172 -15.412 -1.039 127 2HG2 VAL 17 HG12 VAL 17 -0.045 -14.223 -1.498 128 3HG2 VAL 17 HG13 VAL 17 1.195 -13.804 -0.316 129 H ASP 18 HN ASP 18 0.534 -13.198 -6.021 130 HA ASP 18 HA ASP 18 3.146 -13.114 -7.192 131 1HB ASP 18 HB2 ASP 18 1.794 -11.647 -8.924 132 2HB ASP 18 HB1 ASP 18 1.555 -13.390 -8.843 133 H LEU 19 HN LEU 19 4.487 -11.770 -6.051 134 HA LEU 19 HA LEU 19 3.708 -9.285 -4.974 135 1HB LEU 19 HB2 LEU 19 5.766 -9.217 -4.083 136 2HB LEU 19 HB1 LEU 19 5.847 -10.883 -4.618 137 HG LEU 19 HG LEU 19 6.774 -9.582 -6.826 138 1HD1 LEU 19 HD11 LEU 19 7.454 -7.945 -4.408 139 2HD1 LEU 19 HD12 LEU 19 6.868 -7.407 -5.981 140 3HD1 LEU 19 HD13 LEU 19 8.519 -8.005 -5.814 141 1HD2 LEU 19 HD21 LEU 19 8.628 -10.281 -4.583 142 2HD2 LEU 19 HD22 LEU 19 8.829 -10.535 -6.317 143 3HD2 LEU 19 HD23 LEU 19 7.691 -11.528 -5.406 144 H GLU 20 HN GLU 20 5.413 -10.133 -7.967 145 HA GLU 20 HA GLU 20 5.820 -7.478 -8.801 146 1HB GLU 20 HB1 GLU 20 7.128 -9.292 -9.734 147 2HB GLU 20 HB2 GLU 20 5.683 -10.042 -10.397 148 1HG GLU 20 HG1 GLU 20 6.622 -9.014 -12.234 149 2HG GLU 20 HG2 GLU 20 5.411 -7.845 -11.709 150 H ALA 21 HN ALA 21 3.223 -9.789 -9.403 151 HA ALA 21 HA ALA 21 1.847 -8.099 -11.253 152 1HB ALA 21 HB1 ALA 21 0.422 -10.188 -9.673 153 2HB ALA 21 HB2 ALA 21 1.638 -10.678 -10.853 154 3HB ALA 21 HB3 ALA 21 0.236 -9.740 -11.368 155 H LEU 22 HN LEU 22 1.814 -8.576 -7.805 156 HA LEU 22 HA LEU 22 -0.550 -7.086 -7.243 157 1HB LEU 22 HB2 LEU 22 0.919 -8.733 -5.770 158 2HB LEU 22 HB1 LEU 22 1.728 -7.250 -5.316 159 HG LEU 22 HG LEU 22 0.068 -6.623 -3.940 160 1HD1 LEU 22 HD21 LEU 22 -2.396 -7.179 -4.484 161 2HD1 LEU 22 HD22 LEU 22 -1.785 -7.567 -6.092 162 3HD1 LEU 22 HD23 LEU 22 -1.573 -5.943 -5.438 163 1HD2 LEU 22 HD11 LEU 22 -1.467 -9.011 -3.825 164 2HD2 LEU 22 HD12 LEU 22 -0.241 -8.421 -2.703 165 3HD2 LEU 22 HD13 LEU 22 0.229 -9.427 -4.072 166 H LYS 23 HN LYS 23 2.781 -6.364 -7.778 167 HA LYS 23 HA LYS 23 2.992 -3.801 -6.719 168 1HB LYS 23 HB2 LYS 23 4.444 -5.476 -8.607 169 2HB LYS 23 HB1 LYS 23 4.552 -3.768 -9.007 170 1HG LYS 23 HG1 LYS 23 5.034 -3.645 -6.370 171 2HG LYS 23 HG2 LYS 23 5.651 -5.263 -6.712 172 1HD LYS 23 HD1 LYS 23 6.578 -3.571 -8.767 173 2HD LYS 23 HD2 LYS 23 6.854 -2.732 -7.239 174 1HE LYS 23 HE2 LYS 23 7.598 -5.378 -6.761 175 2HE LYS 23 HE1 LYS 23 8.231 -5.009 -8.366 176 1HZ LYS 23 HZ1 LYS 23 9.030 -3.975 -5.784 177 2HZ LYS 23 HZ2 LYS 23 8.914 -2.810 -7.005 178 3HZ LYS 23 HZ3 LYS 23 9.928 -4.149 -7.208 179 H LYS 24 HN LYS 24 1.926 -4.879 -9.917 180 HA LYS 24 HA LYS 24 1.474 -2.277 -10.953 181 1HB LYS 24 HB1 LYS 24 -0.049 -4.686 -11.888 182 2HB LYS 24 HB2 LYS 24 0.569 -3.333 -12.827 183 1HG LYS 24 HG2 LYS 24 2.874 -4.170 -12.388 184 2HG LYS 24 HG1 LYS 24 2.156 -5.594 -11.631 185 1HD LYS 24 HD1 LYS 24 0.976 -5.097 -14.215 186 2HD LYS 24 HD2 LYS 24 2.732 -5.227 -14.339 187 1HE LYS 24 HE2 LYS 24 1.731 -7.256 -12.580 188 2HE LYS 24 HE1 LYS 24 0.854 -7.310 -14.109 189 1HZ LYS 24 HZ1 LYS 24 3.474 -8.185 -13.549 190 2HZ LYS 24 HZ2 LYS 24 3.539 -6.975 -14.729 191 3HZ LYS 24 HZ3 LYS 24 2.585 -8.351 -14.979 192 H GLU 25 HN GLU 25 -0.592 -4.677 -9.363 193 HA GLU 25 HA GLU 25 -3.014 -3.224 -9.659 194 1HB GLU 25 HB1 GLU 25 -2.315 -5.245 -7.519 195 2HB GLU 25 HB2 GLU 25 -3.930 -4.764 -8.022 196 1HG GLU 25 HG2 GLU 25 -3.308 -5.644 -10.323 197 2HG GLU 25 HG1 GLU 25 -1.914 -6.384 -9.537 198 H ILE 26 HN ILE 26 -0.373 -3.058 -7.455 199 HA ILE 26 HA ILE 26 -1.601 -1.791 -5.279 200 HB ILE 26 HB ILE 26 1.142 -2.243 -6.210 201 1HG1 ILE 26 HG12 ILE 26 0.514 -2.026 -3.338 202 2HG1 ILE 26 HG11 ILE 26 -0.476 -3.183 -4.224 203 1HG2 ILE 26 HG21 ILE 26 2.041 -0.584 -4.499 204 2HG2 ILE 26 HG22 ILE 26 0.468 0.205 -4.612 205 3HG2 ILE 26 HG23 ILE 26 1.490 0.068 -6.043 206 1HD1 ILE 26 HD11 ILE 26 2.136 -3.516 -3.228 207 2HD1 ILE 26 HD12 ILE 26 2.237 -3.543 -4.989 208 3HD1 ILE 26 HD13 ILE 26 1.160 -4.660 -4.151 209 H GLN 27 HN GLN 27 -0.004 -0.438 -8.154 210 HA GLN 27 HA GLN 27 -0.227 2.265 -7.375 211 1HB GLN 27 HB1 GLN 27 -0.240 1.351 -10.239 212 2HB GLN 27 HB2 GLN 27 0.451 2.818 -9.560 213 1HG GLN 27 HG2 GLN 27 1.506 0.021 -9.456 214 2HG GLN 27 HG1 GLN 27 2.285 1.484 -10.050 215 1HE2 GLN 27 HE21 GLN 27 3.150 -0.522 -8.075 216 2HE2 GLN 27 HE22 GLN 27 3.518 0.373 -6.643 217 H GLU 28 HN GLU 28 -2.416 0.059 -8.951 218 HA GLU 28 HA GLU 28 -4.262 2.044 -9.843 219 1HB GLU 28 HB1 GLU 28 -4.968 -0.828 -9.307 220 2HB GLU 28 HB2 GLU 28 -5.630 0.253 -10.525 221 1HG GLU 28 HG1 GLU 28 -2.896 -0.997 -10.492 222 2HG GLU 28 HG2 GLU 28 -4.226 -1.367 -11.588 223 H ARG 29 HN ARG 29 -3.685 0.462 -6.833 224 HA ARG 29 HA ARG 29 -6.330 1.084 -5.806 225 1HB ARG 29 HB2 ARG 29 -5.873 -0.307 -4.038 226 2HB ARG 29 HB1 ARG 29 -4.863 -1.019 -5.285 227 1HG ARG 29 HG1 ARG 29 -2.981 -0.563 -4.188 228 2HG ARG 29 HG2 ARG 29 -3.518 1.053 -3.729 229 1HD ARG 29 HD1 ARG 29 -5.096 -0.819 -2.305 230 2HD ARG 29 HD2 ARG 29 -3.411 -1.307 -2.139 231 HE ARG 29 HE ARG 29 -3.003 0.606 -0.912 232 1HH1 ARG 29 HH22 ARG 29 -6.180 0.759 -2.338 233 2HH1 ARG 29 HH21 ARG 29 -6.671 2.137 -1.411 234 1HH2 ARG 29 HH12 ARG 29 -3.646 2.424 0.311 235 2HH2 ARG 29 HH11 ARG 29 -5.233 3.082 0.092 236 H ILE 30 HN ILE 30 -3.238 2.526 -5.941 237 HA ILE 30 HA ILE 30 -3.137 4.008 -3.585 238 HB ILE 30 HB ILE 30 -2.144 4.730 -6.340 239 1HG1 ILE 30 HG11 ILE 30 -1.200 2.678 -5.256 240 2HG1 ILE 30 HG12 ILE 30 -0.006 3.929 -5.577 241 1HG2 ILE 30 HG21 ILE 30 -0.762 5.999 -4.126 242 2HG2 ILE 30 HG22 ILE 30 -2.457 6.483 -4.223 243 3HG2 ILE 30 HG23 ILE 30 -1.395 6.699 -5.616 244 1HD1 ILE 30 HD11 ILE 30 -1.310 3.533 -2.901 245 2HD1 ILE 30 HD12 ILE 30 0.084 4.543 -3.287 246 3HD1 ILE 30 HD13 ILE 30 0.215 2.786 -3.373 247 HA PRO 31 HA PRO 31 -6.557 6.840 -3.692 248 1HB PRO 31 HB2 PRO 31 -5.120 9.015 -2.651 249 2HB PRO 31 HB1 PRO 31 -6.034 7.828 -1.724 250 1HG PRO 31 HG2 PRO 31 -3.111 7.947 -2.297 251 2HG PRO 31 HG1 PRO 31 -3.952 7.412 -0.829 252 1HD PRO 31 HD1 PRO 31 -2.895 5.640 -2.513 253 2HD PRO 31 HD2 PRO 31 -4.463 5.332 -1.738 254 H GLU 32 HN GLU 32 -7.210 7.684 -5.550 255 HA GLU 32 HA GLU 32 -5.587 8.612 -7.612 256 1HB GLU 32 HB2 GLU 32 -8.349 8.232 -7.156 257 2HB GLU 32 HB1 GLU 32 -8.156 9.876 -7.748 258 1HG GLU 32 HG2 GLU 32 -6.539 8.393 -9.417 259 2HG GLU 32 HG1 GLU 32 -7.936 7.352 -9.153 260 H GLY 33 HN GLY 33 -6.097 10.130 -4.699 261 1HA GLY 33 HA1 GLY 33 -6.227 12.841 -5.687 262 2HA GLY 33 HA2 GLY 33 -6.078 12.347 -4.009 263 H THR 34 HN THR 34 -3.716 10.706 -4.425 264 HA THR 34 HA THR 34 -1.748 12.764 -5.152 265 HB THR 34 HB THR 34 -0.896 11.023 -2.965 266 HG1 THR 34 HG1 THR 34 -2.226 12.367 -1.472 267 1HG2 THR 34 HG21 THR 34 -0.833 13.615 -2.070 268 2HG2 THR 34 HG22 THR 34 -0.576 13.773 -3.808 269 3HG2 THR 34 HG23 THR 34 0.489 12.745 -2.849 270 H GLU 35 HN GLU 35 0.392 10.934 -4.178 271 HA GLU 35 HA GLU 35 0.231 8.785 -6.169 272 1HB GLU 35 HB1 GLU 35 2.550 10.703 -5.870 273 2HB GLU 35 HB2 GLU 35 2.530 9.285 -6.909 274 1HG GLU 35 HG1 GLU 35 0.956 10.229 -8.360 275 2HG GLU 35 HG2 GLU 35 0.514 11.481 -7.200 276 H LEU 36 HN LEU 36 2.174 7.292 -5.929 277 HA LEU 36 HA LEU 36 2.216 6.390 -3.224 278 1HB LEU 36 HB1 LEU 36 3.962 4.731 -4.260 279 2HB LEU 36 HB2 LEU 36 2.254 4.581 -4.605 280 HG LEU 36 HG LEU 36 3.925 4.310 -6.536 281 1HD1 LEU 36 HD21 LEU 36 2.098 4.475 -7.763 282 2HD1 LEU 36 HD22 LEU 36 2.117 6.234 -7.627 283 3HD1 LEU 36 HD23 LEU 36 1.293 5.264 -6.406 284 1HD2 LEU 36 HD11 LEU 36 4.636 6.922 -5.741 285 2HD2 LEU 36 HD12 LEU 36 3.866 7.042 -7.322 286 3HD2 LEU 36 HD13 LEU 36 5.255 5.979 -7.095 287 H HIS 37 HN HIS 37 4.589 5.429 -2.605 288 HA HIS 37 HA HIS 37 6.490 7.671 -2.692 289 1HB HIS 37 HB1 HIS 37 5.280 7.684 -0.539 290 2HB HIS 37 HB2 HIS 37 5.774 6.024 -0.259 291 HD2 HIS 37 HD2 HIS 37 8.285 5.654 0.735 292 HE1 HIS 37 HE1 HIS 37 9.323 9.757 0.829 293 HE2 HIS 37 HE2 HIS 37 10.019 7.419 1.522 294 H LYS 38 HN LYS 38 6.480 4.556 -1.049 295 HA LYS 38 HA LYS 38 8.326 3.326 -2.885 296 1HB LYS 38 HB1 LYS 38 9.215 4.391 -0.220 297 2HB LYS 38 HB2 LYS 38 9.959 2.944 -0.879 298 1HG LYS 38 HG1 LYS 38 9.902 5.663 -2.166 299 2HG LYS 38 HG2 LYS 38 11.290 4.895 -1.392 300 1HD LYS 38 HD2 LYS 38 10.450 3.017 -3.239 301 2HD LYS 38 HD1 LYS 38 10.232 4.555 -4.078 302 1HE LYS 38 HE1 LYS 38 12.768 3.686 -2.699 303 2HE LYS 38 HE2 LYS 38 12.469 3.555 -4.431 304 1HZ LYS 38 HZ1 LYS 38 13.607 5.533 -4.262 305 2HZ LYS 38 HZ2 LYS 38 12.874 5.973 -2.802 306 3HZ LYS 38 HZ3 LYS 38 12.003 6.071 -4.249 307 H ILE 39 HN ILE 39 7.980 1.180 -2.853 308 HA ILE 39 HA ILE 39 6.226 0.123 -0.791 309 HB ILE 39 HB ILE 39 7.198 -1.399 -3.186 310 1HG1 ILE 39 HG11 ILE 39 5.052 0.713 -2.988 311 2HG1 ILE 39 HG12 ILE 39 6.346 0.581 -4.173 312 1HG2 ILE 39 HG21 ILE 39 6.074 -2.753 -1.589 313 2HG2 ILE 39 HG22 ILE 39 4.928 -2.452 -2.896 314 3HG2 ILE 39 HG23 ILE 39 4.794 -1.557 -1.380 315 1HD1 ILE 39 HD11 ILE 39 4.652 -0.140 -5.465 316 2HD1 ILE 39 HD12 ILE 39 3.704 -0.719 -4.094 317 3HD1 ILE 39 HD13 ILE 39 5.046 -1.684 -4.711 318 H ASP 40 HN ASP 40 6.602 -2.022 0.123 319 HA ASP 40 HA ASP 40 9.462 -2.635 0.482 320 1HB ASP 40 HB1 ASP 40 7.834 -1.527 2.397 321 2HB ASP 40 HB2 ASP 40 7.710 -3.247 2.755 322 H GLU 41 HN GLU 41 9.951 -4.678 -0.043 323 HA GLU 41 HA GLU 41 7.831 -6.629 -0.386 324 1HB GLU 41 HB1 GLU 41 10.812 -6.979 -0.776 325 2HB GLU 41 HB2 GLU 41 9.545 -8.059 -1.344 326 1HG GLU 41 HG1 GLU 41 8.863 -6.590 -3.006 327 2HG GLU 41 HG2 GLU 41 9.633 -5.206 -2.233 328 H GLU 42 HN GLU 42 7.344 -6.550 1.973 329 HA GLU 42 HA GLU 42 9.240 -8.053 3.627 330 1HB GLU 42 HB1 GLU 42 7.328 -5.945 4.144 331 2HB GLU 42 HB2 GLU 42 7.038 -7.322 5.199 332 1HG GLU 42 HG2 GLU 42 9.743 -7.068 5.353 333 2HG GLU 42 HG1 GLU 42 9.229 -5.389 5.180 334 HA PRO 43 HA PRO 43 6.525 -11.537 3.188 335 1HB PRO 43 HB1 PRO 43 7.987 -13.324 4.570 336 2HB PRO 43 HB2 PRO 43 8.481 -12.723 2.984 337 1HG PRO 43 HG2 PRO 43 9.552 -12.080 5.669 338 2HG PRO 43 HG1 PRO 43 10.362 -12.044 4.097 339 1HD PRO 43 HD1 PRO 43 9.297 -9.839 5.537 340 2HD PRO 43 HD2 PRO 43 9.962 -9.826 3.897 341 H ILE 44 HN ILE 44 5.150 -12.885 4.379 342 HA ILE 44 HA ILE 44 4.745 -12.063 7.180 343 HB ILE 44 HB ILE 44 2.448 -12.911 5.471 344 1HG1 ILE 44 HG12 ILE 44 3.658 -11.188 4.164 345 2HG1 ILE 44 HG11 ILE 44 2.084 -10.622 4.713 346 1HG2 ILE 44 HG21 ILE 44 2.832 -11.909 8.100 347 2HG2 ILE 44 HG22 ILE 44 1.328 -12.387 7.311 348 3HG2 ILE 44 HG23 ILE 44 1.898 -10.721 7.190 349 1HD1 ILE 44 HD11 ILE 44 3.679 -9.765 6.731 350 2HD1 ILE 44 HD12 ILE 44 3.230 -8.798 5.327 351 3HD1 ILE 44 HD13 ILE 44 4.774 -9.651 5.352 352 H ALA 45 HN ALA 45 2.994 -14.439 5.243 353 HA ALA 45 HA ALA 45 3.089 -16.404 7.284 354 1HB ALA 45 HB1 ALA 45 2.454 -16.951 4.400 355 2HB ALA 45 HB2 ALA 45 1.327 -16.126 5.477 356 3HB ALA 45 HB3 ALA 45 1.844 -17.772 5.837 357 H PHE 46 HN PHE 46 3.545 -18.701 5.506 358 HA PHE 46 HA PHE 46 6.337 -19.026 5.977 359 1HB PHE 46 HB2 PHE 46 4.107 -20.689 5.008 360 2HB PHE 46 HB1 PHE 46 5.678 -21.111 4.336 361 HD1 PHE 46 HD1 PHE 46 4.079 -20.355 7.617 362 HD2 PHE 46 HD2 PHE 46 7.003 -22.591 5.485 363 HE1 PHE 46 HE1 PHE 46 4.618 -21.598 9.670 364 HE2 PHE 46 HE2 PHE 46 7.549 -23.840 7.533 365 HZ PHE 46 HZ PHE 46 6.355 -23.344 9.629 366 H GLY 47 HN GLY 47 4.391 -18.099 3.243 367 1HA GLY 47 HA1 GLY 47 6.822 -17.438 1.774 368 2HA GLY 47 HA2 GLY 47 5.739 -18.589 1.009 369 H LEU 48 HN LEU 48 3.927 -16.452 2.831 370 HA LEU 48 HA LEU 48 3.117 -15.034 0.416 371 1HB LEU 48 HB2 LEU 48 1.829 -14.758 3.115 372 2HB LEU 48 HB1 LEU 48 1.126 -14.463 1.537 373 HG LEU 48 HG LEU 48 1.587 -17.072 2.936 374 1HD1 LEU 48 HD11 LEU 48 -0.798 -17.054 1.490 375 2HD1 LEU 48 HD12 LEU 48 -0.656 -15.431 2.166 376 3HD1 LEU 48 HD13 LEU 48 -0.603 -16.837 3.230 377 1HD2 LEU 48 HD21 LEU 48 2.599 -17.531 0.847 378 2HD2 LEU 48 HD22 LEU 48 1.348 -16.653 -0.031 379 3HD2 LEU 48 HD23 LEU 48 0.961 -18.178 0.763 380 H VAL 49 HN VAL 49 4.474 -13.391 0.007 381 HA VAL 49 HA VAL 49 5.376 -11.674 2.170 382 HB VAL 49 HB VAL 49 6.085 -11.710 -0.763 383 1HG1 VAL 49 HG21 VAL 49 7.159 -9.772 -0.550 384 2HG1 VAL 49 HG22 VAL 49 7.938 -10.295 0.944 385 3HG1 VAL 49 HG23 VAL 49 6.333 -9.565 0.996 386 1HG2 VAL 49 HG11 VAL 49 7.320 -13.457 -0.110 387 2HG2 VAL 49 HG12 VAL 49 7.115 -13.082 1.601 388 3HG2 VAL 49 HG13 VAL 49 8.357 -12.256 0.659 389 H ALA 50 HN ALA 50 4.544 -9.768 2.643 390 HA ALA 50 HA ALA 50 2.495 -8.622 0.909 391 1HB ALA 50 HB1 ALA 50 2.036 -8.937 3.327 392 2HB ALA 50 HB2 ALA 50 1.872 -7.262 2.793 393 3HB ALA 50 HB3 ALA 50 3.309 -7.770 3.683 394 H LEU 51 HN LEU 51 2.508 -6.404 0.337 395 HA LEU 51 HA LEU 51 5.213 -5.238 0.224 396 1HB LEU 51 HB2 LEU 51 2.932 -5.264 -1.723 397 2HB LEU 51 HB1 LEU 51 4.083 -3.943 -1.757 398 HG LEU 51 HG LEU 51 5.911 -5.565 -2.125 399 1HD1 LEU 51 HD11 LEU 51 5.313 -7.887 -2.740 400 2HD1 LEU 51 HD12 LEU 51 3.662 -7.571 -2.201 401 3HD1 LEU 51 HD13 LEU 51 4.994 -7.509 -1.046 402 1HD2 LEU 51 HD21 LEU 51 3.954 -4.720 -3.933 403 2HD2 LEU 51 HD22 LEU 51 4.253 -6.416 -4.312 404 3HD2 LEU 51 HD23 LEU 51 5.590 -5.266 -4.300 405 H ASN 52 HN ASN 52 5.487 -3.495 1.419 406 HA ASN 52 HA ASN 52 3.167 -2.047 2.428 407 1HB ASN 52 HB1 ASN 52 6.025 -1.392 3.112 408 2HB ASN 52 HB2 ASN 52 4.575 -1.186 4.092 409 1HD2 ASN 52 HD22 ASN 52 3.502 -3.779 3.652 410 2HD2 ASN 52 HD21 ASN 52 4.497 -4.905 4.504 411 H VAL 53 HN VAL 53 2.483 -0.935 0.661 412 HA VAL 53 HA VAL 53 4.285 0.762 -0.818 413 HB VAL 53 HB VAL 53 1.290 0.688 -1.084 414 1HG1 VAL 53 HG21 VAL 53 2.971 0.941 -3.460 415 2HG1 VAL 53 HG22 VAL 53 3.166 2.259 -2.303 416 3HG1 VAL 53 HG23 VAL 53 1.570 1.886 -2.955 417 1HG2 VAL 53 HG11 VAL 53 2.605 -0.964 -3.014 418 2HG2 VAL 53 HG12 VAL 53 1.321 -1.379 -1.878 419 3HG2 VAL 53 HG13 VAL 53 3.009 -1.508 -1.386 420 H MET 54 HN MET 54 4.926 2.542 0.202 421 HA MET 54 HA MET 54 3.135 4.067 1.883 422 1HB MET 54 HB1 MET 54 6.022 4.356 1.075 423 2HB MET 54 HB2 MET 54 5.190 5.631 1.951 424 1HG MET 54 HG1 MET 54 5.654 4.600 3.845 425 2HG MET 54 HG2 MET 54 4.668 3.235 3.327 426 1HE MET 54 HE1 MET 54 7.894 2.004 5.029 427 2HE MET 54 HE2 MET 54 6.587 0.979 4.436 428 3HE MET 54 HE3 MET 54 6.217 2.516 5.219 429 H VAL 55 HN VAL 55 2.982 6.474 1.543 430 HA VAL 55 HA VAL 55 2.935 7.204 -1.293 431 HB VAL 55 HB VAL 55 0.695 7.930 -1.296 432 1HG1 VAL 55 HG11 VAL 55 -0.593 5.906 -0.600 433 2HG1 VAL 55 HG12 VAL 55 0.889 5.288 0.129 434 3HG1 VAL 55 HG13 VAL 55 0.812 5.569 -1.610 435 1HG2 VAL 55 HG21 VAL 55 0.347 9.039 0.714 436 2HG2 VAL 55 HG22 VAL 55 0.846 7.649 1.680 437 3HG2 VAL 55 HG23 VAL 55 -0.710 7.633 0.849 438 H VAL 56 HN VAL 56 3.377 9.319 -1.713 439 HA VAL 56 HA VAL 56 4.127 10.968 0.589 440 HB VAL 56 HB VAL 56 4.599 11.983 -2.155 441 1HG1 VAL 56 HG11 VAL 56 5.427 12.625 0.401 442 2HG1 VAL 56 HG12 VAL 56 6.110 13.240 -1.105 443 3HG1 VAL 56 HG13 VAL 56 6.836 11.842 -0.313 444 1HG2 VAL 56 HG21 VAL 56 6.721 10.166 -1.356 445 2HG2 VAL 56 HG22 VAL 56 5.939 10.376 -2.923 446 3HG2 VAL 56 HG23 VAL 56 5.205 9.334 -1.705 447 H VAL 57 HN VAL 57 2.560 12.233 1.362 448 HA VAL 57 HA VAL 57 0.938 13.757 -0.560 449 HB VAL 57 HB VAL 57 -1.033 13.553 0.789 450 1HG1 VAL 57 HG21 VAL 57 -1.623 11.374 0.273 451 2HG1 VAL 57 HG22 VAL 57 -0.029 10.738 0.678 452 3HG1 VAL 57 HG23 VAL 57 -0.258 11.663 -0.806 453 1HG2 VAL 57 HG11 VAL 57 -0.163 13.534 3.001 454 2HG2 VAL 57 HG12 VAL 57 0.722 12.037 2.708 455 3HG2 VAL 57 HG13 VAL 57 -1.041 12.020 2.781 456 H GLY 58 HN GLY 58 0.352 15.852 0.074 457 1HA GLY 58 HA2 GLY 58 0.856 16.967 2.611 458 2HA GLY 58 HA1 GLY 58 2.245 17.268 1.578 459 H ASP 59 HN ASP 59 1.624 18.158 -0.655 460 HA ASP 59 HA ASP 59 0.027 20.522 -0.202 461 1HB ASP 59 HB1 ASP 59 1.715 19.559 -2.510 462 2HB ASP 59 HB2 ASP 59 0.725 21.012 -2.620 463 H ALA 60 HN ALA 60 -0.683 17.443 -1.054 464 HA ALA 60 HA ALA 60 -2.486 17.769 -3.213 465 1HB ALA 60 HB1 ALA 60 -1.439 15.618 -2.460 466 2HB ALA 60 HB2 ALA 60 -3.174 15.535 -2.768 467 3HB ALA 60 HB3 ALA 60 -2.575 15.616 -1.111 468 H GLU 61 HN GLU 61 -4.668 16.236 -1.828 469 HA GLU 61 HA GLU 61 -5.824 18.229 -0.051 470 1HB GLU 61 HB1 GLU 61 -7.987 17.782 -1.624 471 2HB GLU 61 HB2 GLU 61 -6.934 19.182 -1.773 472 1HG GLU 61 HG1 GLU 61 -5.629 17.947 -3.486 473 2HG GLU 61 HG2 GLU 61 -6.820 16.649 -3.393 474 H GLY 62 HN GLY 62 -8.442 17.235 -0.076 475 1HA GLY 62 HA1 GLY 62 -8.057 14.821 1.470 476 2HA GLY 62 HA2 GLY 62 -9.574 15.682 1.232 477 H GLY 63 HN GLY 63 -7.910 15.126 -1.650 478 1HA GLY 63 HA2 GLY 63 -9.945 13.399 -2.651 479 2HA GLY 63 HA1 GLY 63 -8.475 13.867 -3.492 480 H THR 64 HN THR 64 -7.313 12.721 -0.712 481 HA THR 64 HA THR 64 -6.529 10.227 -1.883 482 HB THR 64 HB THR 64 -5.082 9.968 -0.071 483 HG1 THR 64 HG1 THR 64 -5.718 10.311 1.888 484 1HG2 THR 64 HG21 THR 64 -4.137 11.807 -1.041 485 2HG2 THR 64 HG22 THR 64 -4.380 12.377 0.609 486 3HG2 THR 64 HG23 THR 64 -5.506 12.851 -0.663 487 H GLU 65 HN GLU 65 -9.267 11.200 -0.301 488 HA GLU 65 HA GLU 65 -9.916 9.124 1.446 489 1HB GLU 65 HB2 GLU 65 -12.280 9.694 0.887 490 2HB GLU 65 HB1 GLU 65 -11.299 11.090 1.301 491 1HG GLU 65 HG2 GLU 65 -11.312 11.912 -0.839 492 2HG GLU 65 HG1 GLU 65 -11.598 10.327 -1.558 493 H ALA 66 HN ALA 66 -9.704 9.251 -1.967 494 HA ALA 66 HA ALA 66 -11.376 7.187 -2.772 495 1HB ALA 66 HB1 ALA 66 -8.707 7.920 -3.971 496 2HB ALA 66 HB2 ALA 66 -10.242 8.719 -4.320 497 3HB ALA 66 HB3 ALA 66 -10.004 7.029 -4.769 498 H ALA 67 HN ALA 67 -8.262 7.049 -1.211 499 HA ALA 67 HA ALA 67 -7.530 4.425 -1.844 500 1HB ALA 67 HB1 ALA 67 -6.112 4.505 0.132 501 2HB ALA 67 HB2 ALA 67 -6.973 5.933 0.707 502 3HB ALA 67 HB3 ALA 67 -6.014 6.019 -0.770 503 H GLU 68 HN GLU 68 -9.218 5.628 1.062 504 HA GLU 68 HA GLU 68 -9.799 3.107 2.148 505 1HB GLU 68 HB1 GLU 68 -11.379 5.672 2.435 506 2HB GLU 68 HB2 GLU 68 -11.493 4.269 3.488 507 1HG GLU 68 HG2 GLU 68 -8.836 4.801 3.606 508 2HG GLU 68 HG1 GLU 68 -9.509 6.419 3.415 509 H GLU 69 HN GLU 69 -11.423 5.058 -0.271 510 HA GLU 69 HA GLU 69 -13.876 3.673 -0.358 511 1HB GLU 69 HB1 GLU 69 -12.605 5.773 -1.804 512 2HB GLU 69 HB2 GLU 69 -13.164 4.581 -2.970 513 1HG GLU 69 HG1 GLU 69 -15.346 4.769 -1.408 514 2HG GLU 69 HG2 GLU 69 -14.692 6.398 -1.234 515 H SER 70 HN SER 70 -10.888 3.321 -2.230 516 HA SER 70 HA SER 70 -11.746 1.119 -3.777 517 1HB SER 70 HB2 SER 70 -9.518 0.974 -4.540 518 2HB SER 70 HB1 SER 70 -9.740 2.688 -4.183 519 HG SER 70 HG SER 70 -8.909 1.467 -1.970 520 H LEU 71 HN LEU 71 -10.766 1.436 -0.526 521 HA LEU 71 HA LEU 71 -9.783 -1.219 -0.135 522 1HB LEU 71 HB2 LEU 71 -10.083 1.169 1.405 523 2HB LEU 71 HB1 LEU 71 -10.777 -0.164 2.301 524 HG LEU 71 HG LEU 71 -8.474 0.136 2.957 525 1HD1 LEU 71 HD11 LEU 71 -9.022 -2.305 1.297 526 2HD1 LEU 71 HD12 LEU 71 -9.108 -2.122 3.048 527 3HD1 LEU 71 HD13 LEU 71 -7.542 -2.116 2.237 528 1HD2 LEU 71 HD21 LEU 71 -7.400 1.229 1.224 529 2HD2 LEU 71 HD22 LEU 71 -7.977 0.087 0.009 530 3HD2 LEU 71 HD23 LEU 71 -6.710 -0.392 1.139 531 H SER 72 HN SER 72 -12.903 0.317 -0.079 532 HA SER 72 HA SER 72 -14.339 -1.653 1.347 533 1HB SER 72 HB2 SER 72 -16.004 -0.178 1.053 534 2HB SER 72 HB1 SER 72 -14.919 0.788 0.052 535 HG SER 72 HG SER 72 -17.101 -0.383 -0.725 536 H GLY 73 HN GLY 73 -12.864 -1.698 -1.684 537 1HA GLY 73 HA2 GLY 73 -14.000 -4.319 -2.259 538 2HA GLY 73 HA1 GLY 73 -14.248 -3.081 -3.481 539 H ILE 74 HN ILE 74 -11.434 -3.286 -1.465 540 HA ILE 74 HA ILE 74 -9.662 -3.213 -3.686 541 HB ILE 74 HB ILE 74 -9.385 -2.274 -1.282 542 1HG1 ILE 74 HG12 ILE 74 -6.762 -3.014 -1.629 543 2HG1 ILE 74 HG11 ILE 74 -7.434 -3.229 -3.244 544 1HG2 ILE 74 HG21 ILE 74 -7.635 -4.333 -0.423 545 2HG2 ILE 74 HG22 ILE 74 -9.222 -5.041 -0.729 546 3HG2 ILE 74 HG23 ILE 74 -9.063 -3.680 0.382 547 1HD1 ILE 74 HD11 ILE 74 -7.207 -1.060 -3.571 548 2HD1 ILE 74 HD12 ILE 74 -6.697 -0.823 -1.899 549 3HD1 ILE 74 HD13 ILE 74 -8.410 -0.774 -2.313 550 H GLU 75 HN GLU 75 -7.558 -4.892 -2.859 551 HA GLU 75 HA GLU 75 -8.048 -7.226 -4.228 552 1HB GLU 75 HB2 GLU 75 -5.962 -6.210 -2.448 553 2HB GLU 75 HB1 GLU 75 -6.115 -7.961 -2.386 554 1HG GLU 75 HG2 GLU 75 -4.528 -7.591 -4.035 555 2HG GLU 75 HG1 GLU 75 -6.015 -7.876 -4.938 556 H GLY 76 HN GLY 76 -9.847 -8.383 -3.734 557 1HA GLY 76 HA1 GLY 76 -10.884 -8.908 -1.205 558 2HA GLY 76 HA2 GLY 76 -11.180 -9.889 -2.631 559 H VAL 77 HN VAL 77 -8.398 -10.622 -2.999 560 HA VAL 77 HA VAL 77 -8.296 -12.774 -1.047 561 HB VAL 77 HB VAL 77 -6.363 -12.285 -3.308 562 1HG1 VAL 77 HG21 VAL 77 -5.653 -14.458 -3.013 563 2HG1 VAL 77 HG22 VAL 77 -7.157 -14.957 -2.238 564 3HG1 VAL 77 HG23 VAL 77 -5.991 -13.975 -1.351 565 1HG2 VAL 77 HG11 VAL 77 -9.046 -13.641 -3.346 566 2HG2 VAL 77 HG12 VAL 77 -7.799 -13.959 -4.550 567 3HG2 VAL 77 HG13 VAL 77 -8.465 -12.336 -4.379 568 H SER 78 HN SER 78 -6.392 -9.999 -2.057 569 HA SER 78 HA SER 78 -4.455 -10.488 0.064 570 1HB SER 78 HB1 SER 78 -3.527 -9.918 -2.117 571 2HB SER 78 HB2 SER 78 -4.498 -8.448 -2.172 572 HG SER 78 HG SER 78 -3.231 -8.213 0.038 573 H ASN 79 HN ASN 79 -5.559 -9.933 1.937 574 HA ASN 79 HA ASN 79 -6.904 -7.367 2.111 575 1HB ASN 79 HB2 ASN 79 -7.425 -9.536 3.517 576 2HB ASN 79 HB1 ASN 79 -6.154 -8.906 4.563 577 1HD2 ASN 79 HD21 ASN 79 -6.589 -6.164 4.470 578 2HD2 ASN 79 HD22 ASN 79 -8.147 -5.817 5.126 579 H ILE 80 HN ILE 80 -6.054 -5.547 2.803 580 HA ILE 80 HA ILE 80 -3.188 -5.562 3.270 581 HB ILE 80 HB ILE 80 -4.953 -3.181 2.798 582 1HG1 ILE 80 HG12 ILE 80 -3.489 -4.739 0.672 583 2HG1 ILE 80 HG11 ILE 80 -5.200 -4.958 1.015 584 1HG2 ILE 80 HG21 ILE 80 -2.368 -2.985 1.660 585 2HG2 ILE 80 HG22 ILE 80 -2.207 -3.529 3.328 586 3HG2 ILE 80 HG23 ILE 80 -3.077 -2.040 2.968 587 1HD1 ILE 80 HD11 ILE 80 -5.373 -3.465 -0.667 588 2HD1 ILE 80 HD12 ILE 80 -3.803 -2.735 -0.333 589 3HD1 ILE 80 HD13 ILE 80 -5.196 -2.325 0.668 590 H GLU 81 HN GLU 81 -2.190 -4.474 4.914 591 HA GLU 81 HA GLU 81 -3.755 -4.003 7.323 592 1HB GLU 81 HB2 GLU 81 -1.530 -5.228 7.382 593 2HB GLU 81 HB1 GLU 81 -0.768 -3.705 6.944 594 1HG GLU 81 HG1 GLU 81 -0.571 -3.957 9.290 595 2HG GLU 81 HG2 GLU 81 -1.772 -2.702 8.995 596 H VAL 82 HN VAL 82 -4.844 -2.342 6.075 597 HA VAL 82 HA VAL 82 -3.406 -0.020 5.233 598 HB VAL 82 HB VAL 82 -6.382 -0.555 5.421 599 1HG1 VAL 82 HG21 VAL 82 -5.443 1.360 3.422 600 2HG1 VAL 82 HG22 VAL 82 -5.124 1.885 5.075 601 3HG1 VAL 82 HG23 VAL 82 -6.772 1.496 4.575 602 1HG2 VAL 82 HG11 VAL 82 -5.682 -2.101 3.891 603 2HG2 VAL 82 HG12 VAL 82 -4.319 -1.115 3.350 604 3HG2 VAL 82 HG13 VAL 82 -5.959 -0.705 2.846 605 H THR 83 HN THR 83 -2.704 -0.171 7.739 606 HA THR 83 HA THR 83 -4.171 2.011 9.031 607 HB THR 83 HB THR 83 -2.986 -0.191 10.690 608 HG1 THR 83 HG1 THR 83 -4.751 -1.386 10.496 609 1HG2 THR 83 HG21 THR 83 -4.150 2.185 11.375 610 2HG2 THR 83 HG22 THR 83 -3.973 0.777 12.423 611 3HG2 THR 83 HG23 THR 83 -5.476 1.035 11.537 612 H ASP 84 HN ASP 84 -1.371 1.194 7.627 613 HA ASP 84 HA ASP 84 0.428 2.133 9.700 614 1HB ASP 84 HB1 ASP 84 0.962 0.254 8.076 615 2HB ASP 84 HB2 ASP 84 1.132 1.495 6.841 616 H VAL 85 HN VAL 85 1.367 4.083 9.805 617 HA VAL 85 HA VAL 85 1.141 5.963 7.595 618 HB VAL 85 HB VAL 85 -0.905 6.157 9.118 619 1HG1 VAL 85 HG11 VAL 85 -0.686 7.320 11.186 620 2HG1 VAL 85 HG12 VAL 85 1.040 7.571 10.929 621 3HG1 VAL 85 HG13 VAL 85 0.420 5.947 11.229 622 1HG2 VAL 85 HG21 VAL 85 0.872 8.299 8.134 623 2HG2 VAL 85 HG22 VAL 85 -0.410 8.791 9.240 624 3HG2 VAL 85 HG23 VAL 85 -0.811 7.951 7.744 625 H ARG 86 HN ARG 86 2.573 7.768 7.773 626 HA ARG 86 HA ARG 86 4.436 7.818 9.988 627 1HB ARG 86 HB1 ARG 86 5.849 6.467 8.879 628 2HB ARG 86 HB2 ARG 86 4.993 6.682 7.363 629 1HG ARG 86 HG1 ARG 86 6.418 8.214 6.623 630 2HG ARG 86 HG2 ARG 86 6.514 9.015 8.190 631 1HD ARG 86 HD1 ARG 86 7.978 7.130 8.961 632 2HD ARG 86 HD2 ARG 86 7.991 6.549 7.296 633 HE ARG 86 HE ARG 86 8.956 9.247 7.957 634 1HH1 ARG 86 HH11 ARG 86 9.454 6.077 6.598 635 2HH1 ARG 86 HH12 ARG 86 10.977 6.484 5.880 636 1HH2 ARG 86 HH21 ARG 86 10.960 9.791 7.015 637 2HH2 ARG 86 HH22 ARG 86 11.833 8.595 6.117 638 H ARG 87 HN ARG 87 3.930 9.901 10.516 639 HA ARG 87 HA ARG 87 3.694 11.949 8.497 640 1HB ARG 87 HB2 ARG 87 3.553 12.022 11.512 641 2HB ARG 87 HB1 ARG 87 3.361 13.446 10.496 642 1HG ARG 87 HG2 ARG 87 1.179 12.862 10.810 643 2HG ARG 87 HG1 ARG 87 1.539 11.972 9.329 644 1HD ARG 87 HD1 ARG 87 1.209 10.011 10.305 645 2HD ARG 87 HD2 ARG 87 2.216 10.445 11.685 646 HE ARG 87 HE ARG 87 -0.663 10.633 11.495 647 1HH1 ARG 87 HH11 ARG 87 2.210 11.635 13.195 648 2HH1 ARG 87 HH12 ARG 87 1.363 12.045 14.649 649 1HH2 ARG 87 HH21 ARG 87 -1.786 11.170 13.405 650 2HH2 ARG 87 HH22 ARG 87 -0.908 11.780 14.769 651 H LEU 88 HN LEU 88 5.518 12.737 7.588 652 HA LEU 88 HA LEU 88 8.001 12.816 9.086 653 1HB LEU 88 HB1 LEU 88 7.983 14.301 6.581 654 2HB LEU 88 HB2 LEU 88 9.052 13.025 7.120 655 HG LEU 88 HG LEU 88 6.300 12.475 6.037 656 1HD1 LEU 88 HD11 LEU 88 8.436 13.597 4.627 657 2HD1 LEU 88 HD12 LEU 88 6.995 12.830 3.956 658 3HD1 LEU 88 HD13 LEU 88 8.456 11.879 4.223 659 1HD2 LEU 88 HD21 LEU 88 6.810 10.308 6.254 660 2HD2 LEU 88 HD22 LEU 88 8.041 10.868 7.389 661 3HD2 LEU 88 HD23 LEU 88 8.471 10.545 5.709 662 H MET 89 HN MET 89 7.606 14.286 10.745 663 HA MET 89 HA MET 89 6.840 17.008 10.030 664 1HB MET 89 HB2 MET 89 7.217 15.582 12.659 665 2HB MET 89 HB1 MET 89 6.995 17.324 12.568 666 1HG MET 89 HG2 MET 89 5.048 15.402 11.344 667 2HG MET 89 HG1 MET 89 4.943 15.906 13.029 668 1HE MET 89 HE1 MET 89 3.086 17.451 9.570 669 2HE MET 89 HE2 MET 89 4.472 16.358 9.567 670 3HE MET 89 HE3 MET 89 4.699 18.071 9.215 Start of MODEL 3 1 1H MET 1 HT1 MET 1 9.805 17.917 4.530 2 2H MET 1 HT2 MET 1 11.095 16.822 4.818 3 3H MET 1 HT3 MET 1 11.354 18.512 4.966 4 HA MET 1 HA MET 1 10.215 16.626 6.794 5 1HB MET 1 HB2 MET 1 12.261 18.462 6.724 6 2HB MET 1 HB1 MET 1 11.036 19.297 7.669 7 1HG MET 1 HG1 MET 1 11.453 18.054 9.451 8 2HG MET 1 HG2 MET 1 11.290 16.563 8.521 9 1HE MET 1 HE1 MET 1 14.245 15.889 10.501 10 2HE MET 1 HE2 MET 1 14.021 14.951 9.025 11 3HE MET 1 HE3 MET 1 12.619 15.483 9.953 12 H GLY 2 HN GLY 2 7.994 16.872 5.821 13 1HA GLY 2 HA1 GLY 2 6.318 18.268 7.537 14 2HA GLY 2 HA2 GLY 2 6.551 19.302 6.135 15 H ASP 3 HN ASP 3 6.878 16.210 5.089 16 HA ASP 3 HA ASP 3 4.204 16.243 3.930 17 1HB ASP 3 HB1 ASP 3 6.751 14.798 3.303 18 2HB ASP 3 HB2 ASP 3 5.220 14.137 2.732 19 H VAL 4 HN VAL 4 2.862 14.372 3.904 20 HA VAL 4 HA VAL 4 3.186 12.706 6.306 21 HB VAL 4 HB VAL 4 0.894 14.072 5.172 22 1HG1 VAL 4 HG11 VAL 4 -0.765 12.334 5.493 23 2HG1 VAL 4 HG12 VAL 4 0.509 11.160 5.825 24 3HG1 VAL 4 HG13 VAL 4 0.378 11.892 4.224 25 1HG2 VAL 4 HG21 VAL 4 1.351 12.611 7.769 26 2HG2 VAL 4 HG22 VAL 4 -0.011 13.679 7.421 27 3HG2 VAL 4 HG23 VAL 4 1.629 14.327 7.467 28 H VAL 5 HN VAL 5 3.727 10.646 5.973 29 HA VAL 5 HA VAL 5 3.278 9.503 3.294 30 HB VAL 5 HB VAL 5 5.424 8.949 5.340 31 1HG1 VAL 5 HG11 VAL 5 6.045 7.395 3.163 32 2HG1 VAL 5 HG12 VAL 5 4.306 7.157 3.329 33 3HG1 VAL 5 HG13 VAL 5 5.376 6.810 4.688 34 1HG2 VAL 5 HG21 VAL 5 6.066 9.391 2.506 35 2HG2 VAL 5 HG22 VAL 5 6.831 10.032 3.958 36 3HG2 VAL 5 HG23 VAL 5 5.355 10.771 3.340 37 H ALA 6 HN ALA 6 1.597 8.148 3.247 38 HA ALA 6 HA ALA 6 0.865 6.642 5.650 39 1HB ALA 6 HB1 ALA 6 -0.942 6.024 3.614 40 2HB ALA 6 HB2 ALA 6 -0.584 7.739 3.410 41 3HB ALA 6 HB3 ALA 6 -1.190 7.141 4.956 42 H THR 7 HN THR 7 0.879 4.390 5.732 43 HA THR 7 HA THR 7 2.118 3.073 3.409 44 HB THR 7 HB THR 7 2.562 2.258 6.270 45 HG1 THR 7 HG1 THR 7 3.395 4.377 5.811 46 1HG2 THR 7 HG21 THR 7 4.626 1.241 5.274 47 2HG2 THR 7 HG22 THR 7 3.904 1.533 3.689 48 3HG2 THR 7 HG23 THR 7 3.100 0.467 4.846 49 H ILE 8 HN ILE 8 1.162 1.430 2.577 50 HA ILE 8 HA ILE 8 -1.041 0.092 4.013 51 HB ILE 8 HB ILE 8 -0.783 0.367 1.020 52 1HG1 ILE 8 HG12 ILE 8 -0.925 2.575 2.506 53 2HG1 ILE 8 HG11 ILE 8 -1.802 2.421 0.989 54 1HG2 ILE 8 HG21 ILE 8 -3.382 0.210 1.440 55 2HG2 ILE 8 HG22 ILE 8 -2.833 -0.612 2.903 56 3HG2 ILE 8 HG23 ILE 8 -2.350 -1.217 1.317 57 1HD1 ILE 8 HD11 ILE 8 -3.812 2.429 1.995 58 2HD1 ILE 8 HD12 ILE 8 -2.917 3.256 3.270 59 3HD1 ILE 8 HD13 ILE 8 -3.239 1.528 3.399 60 H LYS 9 HN LYS 9 -0.313 -1.902 4.630 61 HA LYS 9 HA LYS 9 1.621 -3.311 2.947 62 1HB LYS 9 HB1 LYS 9 0.768 -4.611 5.431 63 2HB LYS 9 HB2 LYS 9 2.380 -4.318 4.797 64 1HG LYS 9 HG2 LYS 9 1.082 -1.871 5.657 65 2HG LYS 9 HG1 LYS 9 1.201 -3.058 6.951 66 1HD LYS 9 HD2 LYS 9 3.549 -2.379 5.224 67 2HD LYS 9 HD1 LYS 9 3.130 -1.419 6.643 68 1HE LYS 9 HE2 LYS 9 3.677 -4.384 6.646 69 2HE LYS 9 HE1 LYS 9 4.824 -3.137 7.139 70 1HZ LYS 9 HZ1 LYS 9 2.173 -3.342 8.419 71 2HZ LYS 9 HZ2 LYS 9 3.585 -2.626 9.013 72 3HZ LYS 9 HZ3 LYS 9 3.460 -4.311 8.935 73 H VAL 10 HN VAL 10 0.398 -4.126 1.281 74 HA VAL 10 HA VAL 10 -1.931 -5.747 1.892 75 HB VAL 10 HB VAL 10 -2.669 -5.273 -0.158 76 1HG1 VAL 10 HG21 VAL 10 -0.976 -3.245 0.652 77 2HG1 VAL 10 HG22 VAL 10 -2.212 -3.141 -0.604 78 3HG1 VAL 10 HG23 VAL 10 -0.543 -3.509 -1.038 79 1HG2 VAL 10 HG11 VAL 10 -1.568 -5.707 -2.200 80 2HG2 VAL 10 HG12 VAL 10 -1.059 -6.979 -1.091 81 3HG2 VAL 10 HG13 VAL 10 0.024 -5.632 -1.445 82 H MET 11 HN MET 11 -2.100 -7.925 1.741 83 HA MET 11 HA MET 11 0.070 -9.449 0.540 84 1HB MET 11 HB2 MET 11 0.731 -10.617 2.415 85 2HB MET 11 HB1 MET 11 0.411 -9.031 3.096 86 1HG MET 11 HG1 MET 11 -1.323 -9.740 4.327 87 2HG MET 11 HG2 MET 11 -1.868 -10.887 3.106 88 1HE MET 11 HE1 MET 11 0.066 -14.065 3.747 89 2HE MET 11 HE2 MET 11 -0.377 -12.945 2.458 90 3HE MET 11 HE3 MET 11 -1.611 -13.547 3.565 91 HA PRO 12 HA PRO 12 -3.535 -11.676 -0.864 92 1HB PRO 12 HB1 PRO 12 -1.619 -13.546 -2.059 93 2HB PRO 12 HB2 PRO 12 -2.770 -12.465 -2.851 94 1HG PRO 12 HG1 PRO 12 -0.107 -12.049 -2.940 95 2HG PRO 12 HG2 PRO 12 -1.275 -10.715 -2.926 96 1HD PRO 12 HD2 PRO 12 0.363 -11.823 -0.671 97 2HD PRO 12 HD1 PRO 12 0.027 -10.129 -1.092 98 H GLU 13 HN GLU 13 -4.666 -13.079 0.293 99 HA GLU 13 HA GLU 13 -3.639 -14.627 2.372 100 1HB GLU 13 HB1 GLU 13 -6.230 -14.308 1.024 101 2HB GLU 13 HB2 GLU 13 -5.992 -15.889 1.756 102 1HG GLU 13 HG1 GLU 13 -5.390 -13.442 3.342 103 2HG GLU 13 HG2 GLU 13 -7.066 -13.940 3.111 104 H SER 14 HN SER 14 -4.172 -15.414 -1.002 105 HA SER 14 HA SER 14 -3.784 -18.236 -0.628 106 1HB SER 14 HB2 SER 14 -3.713 -16.627 -3.195 107 2HB SER 14 HB1 SER 14 -3.895 -18.376 -3.060 108 HG SER 14 HG SER 14 -5.805 -16.588 -3.086 109 HA PRO 15 HA PRO 15 0.609 -18.461 -0.837 110 1HB PRO 15 HB2 PRO 15 0.982 -20.777 -2.223 111 2HB PRO 15 HB1 PRO 15 0.461 -20.733 -0.535 112 1HG PRO 15 HG2 PRO 15 -1.175 -21.093 -3.016 113 2HG PRO 15 HG1 PRO 15 -1.291 -21.946 -1.465 114 1HD PRO 15 HD2 PRO 15 -2.977 -19.946 -2.144 115 2HD PRO 15 HD1 PRO 15 -2.471 -20.233 -0.467 116 H ASP 16 HN ASP 16 -1.296 -17.908 -3.501 117 HA ASP 16 HA ASP 16 0.879 -17.861 -5.443 118 1HB ASP 16 HB2 ASP 16 -1.884 -16.858 -6.034 119 2HB ASP 16 HB1 ASP 16 -0.737 -17.663 -7.103 120 H VAL 17 HN VAL 17 1.263 -16.207 -3.304 121 HA VAL 17 HA VAL 17 0.312 -13.578 -3.602 122 HB VAL 17 HB VAL 17 2.836 -14.585 -2.280 123 1HG1 VAL 17 HG21 VAL 17 1.988 -11.900 -2.821 124 2HG1 VAL 17 HG22 VAL 17 3.450 -12.466 -2.012 125 3HG1 VAL 17 HG23 VAL 17 1.977 -12.193 -1.080 126 1HG2 VAL 17 HG11 VAL 17 0.123 -14.845 -1.585 127 2HG2 VAL 17 HG12 VAL 17 0.809 -13.639 -0.496 128 3HG2 VAL 17 HG13 VAL 17 1.536 -15.243 -0.607 129 H ASP 18 HN ASP 18 0.569 -13.349 -5.965 130 HA ASP 18 HA ASP 18 3.193 -13.104 -7.101 131 1HB ASP 18 HB1 ASP 18 0.433 -12.364 -8.067 132 2HB ASP 18 HB2 ASP 18 1.883 -11.959 -8.983 133 H LEU 19 HN LEU 19 4.285 -11.655 -5.771 134 HA LEU 19 HA LEU 19 3.266 -9.149 -4.955 135 1HB LEU 19 HB2 LEU 19 5.324 -8.762 -3.996 136 2HB LEU 19 HB1 LEU 19 5.285 -10.514 -4.051 137 HG LEU 19 HG LEU 19 6.495 -9.909 -6.434 138 1HD1 LEU 19 HD11 LEU 19 7.470 -7.924 -4.384 139 2HD1 LEU 19 HD12 LEU 19 6.608 -7.535 -5.873 140 3HD1 LEU 19 HD13 LEU 19 8.219 -8.251 -5.947 141 1HD2 LEU 19 HD21 LEU 19 7.530 -11.580 -5.313 142 2HD2 LEU 19 HD22 LEU 19 7.381 -10.775 -3.750 143 3HD2 LEU 19 HD23 LEU 19 8.638 -10.277 -4.883 144 H GLU 20 HN GLU 20 5.227 -10.150 -7.716 145 HA GLU 20 HA GLU 20 5.740 -7.548 -8.674 146 1HB GLU 20 HB1 GLU 20 7.115 -9.335 -9.462 147 2HB GLU 20 HB2 GLU 20 5.721 -10.248 -10.024 148 1HG GLU 20 HG1 GLU 20 6.266 -9.436 -12.028 149 2HG GLU 20 HG2 GLU 20 5.470 -7.965 -11.469 150 H ALA 21 HN ALA 21 3.151 -9.862 -9.261 151 HA ALA 21 HA ALA 21 1.875 -8.267 -11.270 152 1HB ALA 21 HB1 ALA 21 1.355 -10.544 -11.404 153 2HB ALA 21 HB2 ALA 21 -0.102 -9.803 -10.743 154 3HB ALA 21 HB3 ALA 21 1.014 -10.657 -9.677 155 H LEU 22 HN LEU 22 1.691 -8.602 -7.808 156 HA LEU 22 HA LEU 22 -0.678 -7.055 -7.423 157 1HB LEU 22 HB2 LEU 22 1.153 -8.517 -5.815 158 2HB LEU 22 HB1 LEU 22 1.087 -6.889 -5.174 159 HG LEU 22 HG LEU 22 -1.239 -8.780 -5.539 160 1HD1 LEU 22 HD11 LEU 22 -1.374 -8.564 -3.069 161 2HD1 LEU 22 HD12 LEU 22 0.150 -7.679 -3.106 162 3HD1 LEU 22 HD13 LEU 22 0.094 -9.359 -3.637 163 1HD2 LEU 22 HD21 LEU 22 -1.847 -6.428 -6.026 164 2HD2 LEU 22 HD22 LEU 22 -1.272 -5.986 -4.416 165 3HD2 LEU 22 HD23 LEU 22 -2.646 -7.080 -4.591 166 H LYS 23 HN LYS 23 2.669 -6.401 -7.903 167 HA LYS 23 HA LYS 23 2.891 -3.817 -6.870 168 1HB LYS 23 HB2 LYS 23 4.376 -5.547 -8.682 169 2HB LYS 23 HB1 LYS 23 4.489 -3.855 -9.145 170 1HG LYS 23 HG1 LYS 23 4.926 -3.676 -6.481 171 2HG LYS 23 HG2 LYS 23 5.607 -5.267 -6.824 172 1HD LYS 23 HD1 LYS 23 6.485 -3.577 -8.885 173 2HD LYS 23 HD2 LYS 23 6.690 -2.671 -7.384 174 1HE LYS 23 HE2 LYS 23 7.558 -5.275 -6.829 175 2HE LYS 23 HE1 LYS 23 8.228 -4.875 -8.411 176 1HZ LYS 23 HZ1 LYS 23 9.099 -4.015 -5.894 177 2HZ LYS 23 HZ2 LYS 23 8.551 -2.657 -6.740 178 3HZ LYS 23 HZ3 LYS 23 9.749 -3.643 -7.411 179 H LYS 24 HN LYS 24 1.851 -4.979 -10.037 180 HA LYS 24 HA LYS 24 1.452 -2.421 -11.192 181 1HB LYS 24 HB1 LYS 24 -0.179 -4.773 -12.050 182 2HB LYS 24 HB2 LYS 24 0.605 -3.541 -13.028 183 1HG LYS 24 HG1 LYS 24 2.736 -4.797 -11.862 184 2HG LYS 24 HG2 LYS 24 1.598 -6.123 -12.112 185 1HD LYS 24 HD1 LYS 24 1.995 -4.218 -14.352 186 2HD LYS 24 HD2 LYS 24 3.309 -5.341 -13.994 187 1HE LYS 24 HE2 LYS 24 1.324 -7.085 -13.946 188 2HE LYS 24 HE1 LYS 24 0.556 -5.883 -14.981 189 1HZ LYS 24 HZ1 LYS 24 2.355 -6.047 -16.527 190 2HZ LYS 24 HZ2 LYS 24 1.790 -7.611 -16.212 191 3HZ LYS 24 HZ3 LYS 24 3.226 -7.071 -15.500 192 H GLU 25 HN GLU 25 -0.670 -4.690 -9.481 193 HA GLU 25 HA GLU 25 -3.057 -3.186 -9.850 194 1HB GLU 25 HB1 GLU 25 -2.263 -5.308 -7.855 195 2HB GLU 25 HB2 GLU 25 -3.860 -4.569 -7.868 196 1HG GLU 25 HG2 GLU 25 -3.790 -5.283 -10.404 197 2HG GLU 25 HG1 GLU 25 -2.624 -6.457 -9.797 198 H ILE 26 HN ILE 26 -0.412 -3.023 -7.644 199 HA ILE 26 HA ILE 26 -1.598 -1.587 -5.541 200 HB ILE 26 HB ILE 26 1.176 -2.089 -6.464 201 1HG1 ILE 26 HG12 ILE 26 0.397 -2.061 -3.605 202 2HG1 ILE 26 HG11 ILE 26 -0.444 -3.226 -4.624 203 1HG2 ILE 26 HG21 ILE 26 0.381 0.337 -4.953 204 2HG2 ILE 26 HG22 ILE 26 1.707 0.092 -6.087 205 3HG2 ILE 26 HG23 ILE 26 1.833 -0.518 -4.438 206 1HD1 ILE 26 HD11 ILE 26 1.486 -4.236 -3.583 207 2HD1 ILE 26 HD12 ILE 26 2.534 -2.996 -4.273 208 3HD1 ILE 26 HD13 ILE 26 1.712 -4.144 -5.330 209 H GLN 27 HN GLN 27 0.043 -0.501 -8.497 210 HA GLN 27 HA GLN 27 0.003 2.251 -7.937 211 1HB GLN 27 HB1 GLN 27 -0.225 0.977 -10.669 212 2HB GLN 27 HB2 GLN 27 0.388 2.581 -10.295 213 1HG GLN 27 HG1 GLN 27 1.893 0.691 -8.808 214 2HG GLN 27 HG2 GLN 27 1.809 0.144 -10.482 215 1HE2 GLN 27 HE22 GLN 27 3.650 1.816 -8.431 216 2HE2 GLN 27 HE21 GLN 27 4.408 2.928 -9.515 217 H GLU 28 HN GLU 28 -2.383 0.088 -9.345 218 HA GLU 28 HA GLU 28 -4.195 2.161 -10.119 219 1HB GLU 28 HB1 GLU 28 -4.962 -0.710 -9.660 220 2HB GLU 28 HB2 GLU 28 -5.638 0.434 -10.812 221 1HG GLU 28 HG1 GLU 28 -2.782 -0.414 -11.024 222 2HG GLU 28 HG2 GLU 28 -4.071 -1.446 -11.642 223 H ARG 29 HN ARG 29 -3.609 0.425 -7.183 224 HA ARG 29 HA ARG 29 -6.215 1.073 -6.078 225 1HB ARG 29 HB2 ARG 29 -5.613 -0.266 -4.219 226 2HB ARG 29 HB1 ARG 29 -4.997 -1.104 -5.634 227 1HG ARG 29 HG1 ARG 29 -2.827 -0.757 -5.077 228 2HG ARG 29 HG2 ARG 29 -3.167 0.759 -4.239 229 1HD ARG 29 HD1 ARG 29 -4.498 -1.254 -2.796 230 2HD ARG 29 HD2 ARG 29 -2.898 -1.890 -3.167 231 HE ARG 29 HE ARG 29 -3.508 0.115 -1.278 232 1HH1 ARG 29 HH12 ARG 29 -1.159 -0.668 -3.729 233 2HH1 ARG 29 HH11 ARG 29 0.119 0.218 -2.970 234 1HH2 ARG 29 HH22 ARG 29 -1.831 1.285 -0.275 235 2HH2 ARG 29 HH21 ARG 29 -0.262 1.327 -1.006 236 H ILE 30 HN ILE 30 -3.175 2.536 -6.324 237 HA ILE 30 HA ILE 30 -2.927 3.876 -3.880 238 HB ILE 30 HB ILE 30 -2.028 4.636 -6.652 239 1HG1 ILE 30 HG11 ILE 30 -1.034 2.627 -5.514 240 2HG1 ILE 30 HG12 ILE 30 0.130 3.873 -5.936 241 1HG2 ILE 30 HG21 ILE 30 -1.347 6.647 -5.991 242 2HG2 ILE 30 HG22 ILE 30 -0.598 5.989 -4.536 243 3HG2 ILE 30 HG23 ILE 30 -2.310 6.416 -4.531 244 1HD1 ILE 30 HD11 ILE 30 -1.036 3.404 -3.202 245 2HD1 ILE 30 HD12 ILE 30 0.139 4.650 -3.624 246 3HD1 ILE 30 HD13 ILE 30 0.580 2.947 -3.740 247 HA PRO 31 HA PRO 31 -6.301 6.770 -3.742 248 1HB PRO 31 HB2 PRO 31 -4.840 8.872 -2.614 249 2HB PRO 31 HB1 PRO 31 -5.704 7.617 -1.728 250 1HG PRO 31 HG2 PRO 31 -2.807 7.807 -2.410 251 2HG PRO 31 HG1 PRO 31 -3.580 7.185 -0.940 252 1HD PRO 31 HD1 PRO 31 -2.579 5.521 -2.771 253 2HD PRO 31 HD2 PRO 31 -4.098 5.148 -1.927 254 H GLU 32 HN GLU 32 -6.894 7.540 -5.671 255 HA GLU 32 HA GLU 32 -5.237 8.693 -7.597 256 1HB GLU 32 HB2 GLU 32 -7.929 7.953 -7.398 257 2HB GLU 32 HB1 GLU 32 -7.954 9.664 -7.802 258 1HG GLU 32 HG2 GLU 32 -6.169 8.909 -9.589 259 2HG GLU 32 HG1 GLU 32 -6.973 7.353 -9.381 260 H GLY 33 HN GLY 33 -5.833 10.046 -4.688 261 1HA GLY 33 HA1 GLY 33 -6.379 12.750 -5.535 262 2HA GLY 33 HA2 GLY 33 -6.033 12.218 -3.898 263 H THR 34 HN THR 34 -3.546 10.976 -4.355 264 HA THR 34 HA THR 34 -1.882 13.205 -5.314 265 HB THR 34 HB THR 34 -0.937 11.623 -2.975 266 HG1 THR 34 HG1 THR 34 -2.071 13.251 -1.653 267 1HG2 THR 34 HG21 THR 34 -0.583 14.399 -3.990 268 2HG2 THR 34 HG22 THR 34 0.628 13.208 -3.513 269 3HG2 THR 34 HG23 THR 34 -0.320 14.044 -2.282 270 H GLU 35 HN GLU 35 0.330 11.295 -4.058 271 HA GLU 35 HA GLU 35 0.360 9.296 -6.195 272 1HB GLU 35 HB1 GLU 35 2.521 11.335 -5.663 273 2HB GLU 35 HB2 GLU 35 2.809 9.855 -6.569 274 1HG GLU 35 HG1 GLU 35 1.427 10.520 -8.327 275 2HG GLU 35 HG2 GLU 35 0.643 11.767 -7.356 276 H LEU 36 HN LEU 36 2.057 7.639 -5.855 277 HA LEU 36 HA LEU 36 2.048 6.806 -3.115 278 1HB LEU 36 HB1 LEU 36 2.870 4.751 -3.859 279 2HB LEU 36 HB2 LEU 36 1.830 5.305 -5.152 280 HG LEU 36 HG LEU 36 4.848 5.420 -5.143 281 1HD1 LEU 36 HD21 LEU 36 4.648 3.742 -6.934 282 2HD1 LEU 36 HD22 LEU 36 2.906 3.678 -6.660 283 3HD1 LEU 36 HD23 LEU 36 4.019 3.159 -5.393 284 1HD2 LEU 36 HD11 LEU 36 3.893 7.294 -6.377 285 2HD2 LEU 36 HD12 LEU 36 2.878 6.181 -7.296 286 3HD2 LEU 36 HD13 LEU 36 4.633 6.127 -7.473 287 H HIS 37 HN HIS 37 4.392 5.595 -2.617 288 HA HIS 37 HA HIS 37 6.423 7.719 -2.763 289 1HB HIS 37 HB1 HIS 37 5.299 7.772 -0.565 290 2HB HIS 37 HB2 HIS 37 5.723 6.087 -0.316 291 HD2 HIS 37 HD2 HIS 37 8.199 5.614 0.684 292 HE1 HIS 37 HE1 HIS 37 9.532 9.630 0.554 293 HE2 HIS 37 HE2 HIS 37 10.076 7.282 1.344 294 H LYS 38 HN LYS 38 6.387 4.620 -1.094 295 HA LYS 38 HA LYS 38 8.108 3.325 -3.023 296 1HB LYS 38 HB1 LYS 38 9.100 4.282 -0.343 297 2HB LYS 38 HB2 LYS 38 9.830 2.905 -1.149 298 1HG LYS 38 HG1 LYS 38 9.632 5.675 -2.307 299 2HG LYS 38 HG2 LYS 38 11.058 5.000 -1.518 300 1HD LYS 38 HD2 LYS 38 10.592 3.070 -3.323 301 2HD LYS 38 HD1 LYS 38 9.934 4.456 -4.196 302 1HE LYS 38 HE1 LYS 38 11.986 5.088 -4.747 303 2HE LYS 38 HE2 LYS 38 12.396 5.250 -3.040 304 1HZ LYS 38 HZ1 LYS 38 13.043 2.942 -2.987 305 2HZ LYS 38 HZ2 LYS 38 13.889 3.734 -4.219 306 3HZ LYS 38 HZ3 LYS 38 12.582 2.731 -4.601 307 H ILE 39 HN ILE 39 7.800 1.174 -2.952 308 HA ILE 39 HA ILE 39 6.077 0.128 -0.852 309 HB ILE 39 HB ILE 39 6.987 -1.386 -3.278 310 1HG1 ILE 39 HG11 ILE 39 4.860 0.731 -3.004 311 2HG1 ILE 39 HG12 ILE 39 6.099 0.576 -4.242 312 1HG2 ILE 39 HG21 ILE 39 4.797 -2.510 -2.940 313 2HG2 ILE 39 HG22 ILE 39 4.580 -1.557 -1.472 314 3HG2 ILE 39 HG23 ILE 39 5.908 -2.711 -1.586 315 1HD1 ILE 39 HD11 ILE 39 4.385 -0.163 -5.478 316 2HD1 ILE 39 HD12 ILE 39 3.435 -0.636 -4.067 317 3HD1 ILE 39 HD13 ILE 39 4.718 -1.693 -4.664 318 H ASP 40 HN ASP 40 6.488 -2.000 0.078 319 HA ASP 40 HA ASP 40 9.361 -2.604 0.342 320 1HB ASP 40 HB1 ASP 40 7.794 -1.482 2.302 321 2HB ASP 40 HB2 ASP 40 7.695 -3.199 2.681 322 H GLU 41 HN GLU 41 9.862 -4.658 -0.110 323 HA GLU 41 HA GLU 41 7.743 -6.620 -0.409 324 1HB GLU 41 HB1 GLU 41 10.710 -7.035 -0.802 325 2HB GLU 41 HB2 GLU 41 9.399 -8.026 -1.430 326 1HG GLU 41 HG1 GLU 41 9.073 -6.696 -3.196 327 2HG GLU 41 HG2 GLU 41 9.277 -5.221 -2.249 328 H GLU 42 HN GLU 42 7.248 -6.560 1.921 329 HA GLU 42 HA GLU 42 9.180 -7.987 3.608 330 1HB GLU 42 HB1 GLU 42 7.252 -5.893 4.078 331 2HB GLU 42 HB2 GLU 42 6.928 -7.260 5.136 332 1HG GLU 42 HG2 GLU 42 9.608 -7.038 5.406 333 2HG GLU 42 HG1 GLU 42 9.154 -5.354 5.137 334 HA PRO 43 HA PRO 43 6.543 -11.543 3.231 335 1HB PRO 43 HB1 PRO 43 8.013 -13.173 4.887 336 2HB PRO 43 HB2 PRO 43 8.382 -12.862 3.191 337 1HG PRO 43 HG2 PRO 43 9.814 -11.999 5.559 338 2HG PRO 43 HG1 PRO 43 10.298 -11.878 3.862 339 1HD PRO 43 HD1 PRO 43 9.220 -9.820 5.603 340 2HD PRO 43 HD2 PRO 43 9.910 -9.659 3.979 341 H ILE 44 HN ILE 44 5.115 -12.827 4.438 342 HA ILE 44 HA ILE 44 4.631 -11.891 7.190 343 HB ILE 44 HB ILE 44 2.384 -12.780 5.432 344 1HG1 ILE 44 HG12 ILE 44 3.609 -11.058 4.150 345 2HG1 ILE 44 HG11 ILE 44 2.031 -10.481 4.673 346 1HG2 ILE 44 HG21 ILE 44 1.259 -12.322 7.288 347 2HG2 ILE 44 HG22 ILE 44 1.681 -10.622 7.077 348 3HG2 ILE 44 HG23 ILE 44 2.706 -11.669 8.058 349 1HD1 ILE 44 HD11 ILE 44 3.609 -9.641 6.717 350 2HD1 ILE 44 HD12 ILE 44 3.170 -8.666 5.315 351 3HD1 ILE 44 HD13 ILE 44 4.714 -9.522 5.347 352 H ALA 45 HN ALA 45 2.927 -14.330 5.289 353 HA ALA 45 HA ALA 45 2.968 -16.228 7.398 354 1HB ALA 45 HB1 ALA 45 2.480 -17.318 4.735 355 2HB ALA 45 HB2 ALA 45 1.498 -15.903 5.112 356 3HB ALA 45 HB3 ALA 45 1.451 -17.316 6.167 357 H PHE 46 HN PHE 46 3.485 -18.592 5.773 358 HA PHE 46 HA PHE 46 6.276 -18.852 6.285 359 1HB PHE 46 HB2 PHE 46 4.117 -20.615 5.221 360 2HB PHE 46 HB1 PHE 46 5.786 -21.076 4.906 361 HD1 PHE 46 HD1 PHE 46 3.114 -21.165 7.233 362 HD2 PHE 46 HD2 PHE 46 7.359 -21.210 6.935 363 HE1 PHE 46 HE1 PHE 46 3.257 -22.157 9.479 364 HE2 PHE 46 HE2 PHE 46 7.510 -22.202 9.181 365 HZ PHE 46 HZ PHE 46 5.458 -22.677 10.457 366 H GLY 47 HN GLY 47 4.357 -18.055 3.507 367 1HA GLY 47 HA1 GLY 47 6.799 -17.513 2.004 368 2HA GLY 47 HA2 GLY 47 5.691 -18.679 1.298 369 H LEU 48 HN LEU 48 3.867 -16.465 2.981 370 HA LEU 48 HA LEU 48 3.142 -15.113 0.504 371 1HB LEU 48 HB2 LEU 48 1.777 -14.753 3.156 372 2HB LEU 48 HB1 LEU 48 1.122 -14.495 1.552 373 HG LEU 48 HG LEU 48 1.535 -17.076 3.023 374 1HD1 LEU 48 HD11 LEU 48 -0.834 -17.049 1.531 375 2HD1 LEU 48 HD12 LEU 48 -0.687 -15.432 2.222 376 3HD1 LEU 48 HD13 LEU 48 -0.660 -16.846 3.275 377 1HD2 LEU 48 HD21 LEU 48 1.128 -16.817 0.049 378 2HD2 LEU 48 HD22 LEU 48 1.107 -18.315 0.978 379 3HD2 LEU 48 HD23 LEU 48 2.597 -17.382 0.841 380 H VAL 49 HN VAL 49 4.478 -13.458 0.079 381 HA VAL 49 HA VAL 49 5.353 -11.700 2.226 382 HB VAL 49 HB VAL 49 6.112 -11.780 -0.696 383 1HG1 VAL 49 HG21 VAL 49 6.220 -9.515 0.570 384 2HG1 VAL 49 HG22 VAL 49 7.615 -10.049 -0.367 385 3HG1 VAL 49 HG23 VAL 49 7.606 -10.236 1.386 386 1HG2 VAL 49 HG11 VAL 49 7.125 -13.096 1.719 387 2HG2 VAL 49 HG12 VAL 49 8.364 -12.317 0.733 388 3HG2 VAL 49 HG13 VAL 49 7.307 -13.538 0.022 389 H ALA 50 HN ALA 50 4.503 -9.782 2.641 390 HA ALA 50 HA ALA 50 2.467 -8.691 0.867 391 1HB ALA 50 HB1 ALA 50 3.279 -7.634 3.563 392 2HB ALA 50 HB2 ALA 50 2.121 -8.947 3.356 393 3HB ALA 50 HB3 ALA 50 1.772 -7.351 2.691 394 H LEU 51 HN LEU 51 2.422 -6.346 0.503 395 HA LEU 51 HA LEU 51 5.129 -5.223 0.230 396 1HB LEU 51 HB1 LEU 51 2.819 -5.305 -1.668 397 2HB LEU 51 HB2 LEU 51 3.889 -3.919 -1.709 398 HG LEU 51 HG LEU 51 5.806 -5.472 -2.085 399 1HD1 LEU 51 HD11 LEU 51 3.654 -7.550 -2.454 400 2HD1 LEU 51 HD12 LEU 51 4.749 -7.458 -1.074 401 3HD1 LEU 51 HD13 LEU 51 5.389 -7.767 -2.689 402 1HD2 LEU 51 HD21 LEU 51 5.085 -6.105 -4.434 403 2HD2 LEU 51 HD22 LEU 51 4.964 -4.399 -4.002 404 3HD2 LEU 51 HD23 LEU 51 3.517 -5.407 -4.030 405 H ASN 52 HN ASN 52 5.426 -3.476 1.414 406 HA ASN 52 HA ASN 52 3.132 -2.052 2.501 407 1HB ASN 52 HB1 ASN 52 5.997 -1.332 3.063 408 2HB ASN 52 HB2 ASN 52 4.588 -1.177 4.109 409 1HD2 ASN 52 HD22 ASN 52 3.621 -3.850 3.586 410 2HD2 ASN 52 HD21 ASN 52 4.673 -4.928 4.432 411 H VAL 53 HN VAL 53 2.358 -0.957 0.757 412 HA VAL 53 HA VAL 53 4.081 0.714 -0.838 413 HB VAL 53 HB VAL 53 1.067 0.602 -0.927 414 1HG1 VAL 53 HG21 VAL 53 1.827 2.425 -2.196 415 2HG1 VAL 53 HG22 VAL 53 1.580 1.134 -3.371 416 3HG1 VAL 53 HG23 VAL 53 3.208 1.525 -2.821 417 1HG2 VAL 53 HG11 VAL 53 1.097 -1.272 -2.251 418 2HG2 VAL 53 HG12 VAL 53 2.414 -1.636 -1.138 419 3HG2 VAL 53 HG13 VAL 53 2.768 -1.026 -2.753 420 H MET 54 HN MET 54 4.796 2.502 0.116 421 HA MET 54 HA MET 54 3.111 4.066 1.874 422 1HB MET 54 HB1 MET 54 5.940 4.443 0.876 423 2HB MET 54 HB2 MET 54 5.138 5.570 1.959 424 1HG MET 54 HG1 MET 54 5.265 4.168 3.744 425 2HG MET 54 HG2 MET 54 5.207 2.715 2.749 426 1HE MET 54 HE1 MET 54 6.594 1.715 4.227 427 2HE MET 54 HE2 MET 54 8.170 2.253 4.810 428 3HE MET 54 HE3 MET 54 8.057 1.288 3.338 429 H VAL 55 HN VAL 55 2.824 6.401 1.517 430 HA VAL 55 HA VAL 55 2.760 7.166 -1.311 431 HB VAL 55 HB VAL 55 0.499 7.802 -1.316 432 1HG1 VAL 55 HG11 VAL 55 -0.727 5.758 -0.719 433 2HG1 VAL 55 HG12 VAL 55 0.682 5.196 0.181 434 3HG1 VAL 55 HG13 VAL 55 0.780 5.410 -1.568 435 1HG2 VAL 55 HG21 VAL 55 0.179 8.912 0.724 436 2HG2 VAL 55 HG22 VAL 55 0.608 7.482 1.666 437 3HG2 VAL 55 HG23 VAL 55 -0.921 7.535 0.787 438 H VAL 56 HN VAL 56 3.145 9.296 -1.691 439 HA VAL 56 HA VAL 56 3.870 10.912 0.633 440 HB VAL 56 HB VAL 56 4.236 11.794 -2.213 441 1HG1 VAL 56 HG11 VAL 56 6.348 12.321 -0.300 442 2HG1 VAL 56 HG12 VAL 56 4.786 12.931 0.247 443 3HG1 VAL 56 HG13 VAL 56 5.435 13.441 -1.312 444 1HG2 VAL 56 HG21 VAL 56 6.492 10.400 -0.926 445 2HG2 VAL 56 HG22 VAL 56 6.002 10.448 -2.619 446 3HG2 VAL 56 HG23 VAL 56 5.169 9.379 -1.489 447 H VAL 57 HN VAL 57 2.025 11.757 1.463 448 HA VAL 57 HA VAL 57 0.505 13.552 -0.299 449 HB VAL 57 HB VAL 57 -1.564 13.012 0.895 450 1HG1 VAL 57 HG21 VAL 57 -1.274 10.352 0.151 451 2HG1 VAL 57 HG22 VAL 57 -0.119 11.224 -0.857 452 3HG1 VAL 57 HG23 VAL 57 -1.823 11.681 -0.869 453 1HG2 VAL 57 HG11 VAL 57 -0.205 10.639 2.113 454 2HG2 VAL 57 HG12 VAL 57 -1.759 11.363 2.523 455 3HG2 VAL 57 HG13 VAL 57 -0.261 12.188 2.956 456 H GLY 58 HN GLY 58 0.000 15.517 0.535 457 1HA GLY 58 HA2 GLY 58 -0.111 16.166 3.257 458 2HA GLY 58 HA1 GLY 58 1.508 16.525 2.681 459 H ASP 59 HN ASP 59 1.337 17.674 0.366 460 HA ASP 59 HA ASP 59 -0.047 20.150 0.900 461 1HB ASP 59 HB1 ASP 59 1.411 19.542 -1.657 462 2HB ASP 59 HB2 ASP 59 1.232 21.085 -0.828 463 H ALA 60 HN ALA 60 -0.857 17.272 -0.518 464 HA ALA 60 HA ALA 60 -2.404 18.112 -2.742 465 1HB ALA 60 HB1 ALA 60 -2.929 15.633 -1.144 466 2HB ALA 60 HB2 ALA 60 -1.518 15.780 -2.191 467 3HB ALA 60 HB3 ALA 60 -3.140 15.901 -2.875 468 H GLU 61 HN GLU 61 -4.722 16.401 -1.676 469 HA GLU 61 HA GLU 61 -5.974 18.248 0.195 470 1HB GLU 61 HB1 GLU 61 -8.055 18.029 -1.459 471 2HB GLU 61 HB2 GLU 61 -6.888 19.338 -1.588 472 1HG GLU 61 HG1 GLU 61 -5.862 18.410 -3.449 473 2HG GLU 61 HG2 GLU 61 -6.506 16.802 -3.123 474 H GLY 62 HN GLY 62 -8.592 17.268 -0.087 475 1HA GLY 62 HA1 GLY 62 -8.309 14.758 1.314 476 2HA GLY 62 HA2 GLY 62 -9.809 15.628 1.018 477 H GLY 63 HN GLY 63 -7.955 15.285 -1.771 478 1HA GLY 63 HA2 GLY 63 -9.885 13.595 -3.014 479 2HA GLY 63 HA1 GLY 63 -8.371 14.133 -3.724 480 H THR 64 HN THR 64 -7.212 12.892 -1.056 481 HA THR 64 HA THR 64 -6.464 10.420 -2.298 482 HB THR 64 HB THR 64 -4.925 10.163 -0.595 483 HG1 THR 64 HG1 THR 64 -5.253 10.897 1.504 484 1HG2 THR 64 HG21 THR 64 -4.035 12.328 0.101 485 2HG2 THR 64 HG22 THR 64 -5.497 13.113 -0.499 486 3HG2 THR 64 HG23 THR 64 -4.416 12.285 -1.620 487 H GLU 65 HN GLU 65 -9.186 11.367 -0.743 488 HA GLU 65 HA GLU 65 -9.852 9.307 1.020 489 1HB GLU 65 HB2 GLU 65 -12.200 9.854 0.438 490 2HB GLU 65 HB1 GLU 65 -11.240 11.280 0.800 491 1HG GLU 65 HG2 GLU 65 -11.942 12.147 -1.108 492 2HG GLU 65 HG1 GLU 65 -11.000 10.916 -1.951 493 H ALA 66 HN ALA 66 -9.571 9.412 -2.391 494 HA ALA 66 HA ALA 66 -11.198 7.339 -3.232 495 1HB ALA 66 HB1 ALA 66 -8.597 8.407 -4.261 496 2HB ALA 66 HB2 ALA 66 -10.219 8.582 -4.932 497 3HB ALA 66 HB3 ALA 66 -9.382 7.033 -5.038 498 H ALA 67 HN ALA 67 -8.151 7.207 -1.541 499 HA ALA 67 HA ALA 67 -7.424 4.556 -2.072 500 1HB ALA 67 HB1 ALA 67 -6.920 5.646 0.641 501 2HB ALA 67 HB2 ALA 67 -6.234 6.514 -0.734 502 3HB ALA 67 HB3 ALA 67 -5.830 4.816 -0.468 503 H GLU 68 HN GLU 68 -9.149 5.846 0.774 504 HA GLU 68 HA GLU 68 -9.838 3.374 1.884 505 1HB GLU 68 HB1 GLU 68 -11.464 5.914 2.071 506 2HB GLU 68 HB2 GLU 68 -11.449 4.578 3.214 507 1HG GLU 68 HG2 GLU 68 -8.853 5.227 3.262 508 2HG GLU 68 HG1 GLU 68 -9.542 6.799 2.860 509 H GLU 69 HN GLU 69 -11.337 5.281 -0.643 510 HA GLU 69 HA GLU 69 -13.824 3.953 -0.748 511 1HB GLU 69 HB1 GLU 69 -12.531 6.019 -2.168 512 2HB GLU 69 HB2 GLU 69 -12.955 4.798 -3.360 513 1HG GLU 69 HG2 GLU 69 -15.277 4.879 -2.134 514 2HG GLU 69 HG1 GLU 69 -14.712 6.478 -1.653 515 H SER 70 HN SER 70 -10.833 3.508 -2.602 516 HA SER 70 HA SER 70 -11.719 1.258 -4.065 517 1HB SER 70 HB1 SER 70 -9.375 2.853 -3.934 518 2HB SER 70 HB2 SER 70 -8.876 1.180 -3.679 519 HG SER 70 HG SER 70 -10.605 1.938 -5.784 520 H LEU 71 HN LEU 71 -10.634 1.691 -0.844 521 HA LEU 71 HA LEU 71 -9.689 -0.953 -0.375 522 1HB LEU 71 HB2 LEU 71 -9.960 1.487 1.089 523 2HB LEU 71 HB1 LEU 71 -10.623 0.177 2.044 524 HG LEU 71 HG LEU 71 -8.309 0.504 2.634 525 1HD1 LEU 71 HD11 LEU 71 -8.819 -1.741 2.847 526 2HD1 LEU 71 HD12 LEU 71 -7.382 -1.774 1.825 527 3HD1 LEU 71 HD13 LEU 71 -8.981 -1.977 1.106 528 1HD2 LEU 71 HD21 LEU 71 -6.533 0.609 1.158 529 2HD2 LEU 71 HD22 LEU 71 -7.796 1.481 0.292 530 3HD2 LEU 71 HD23 LEU 71 -7.426 -0.189 -0.136 531 H SER 72 HN SER 72 -12.797 0.584 -0.333 532 HA SER 72 HA SER 72 -14.212 -1.281 1.233 533 1HB SER 72 HB1 SER 72 -14.850 1.094 0.163 534 2HB SER 72 HB2 SER 72 -15.605 0.043 -1.038 535 HG SER 72 HG SER 72 -17.151 0.261 0.459 536 H GLY 73 HN GLY 73 -12.850 -1.516 -1.870 537 1HA GLY 73 HA2 GLY 73 -13.987 -4.178 -2.206 538 2HA GLY 73 HA1 GLY 73 -14.319 -3.025 -3.488 539 H ILE 74 HN ILE 74 -11.369 -3.025 -1.670 540 HA ILE 74 HA ILE 74 -9.773 -3.160 -4.022 541 HB ILE 74 HB ILE 74 -9.324 -1.975 -1.747 542 1HG1 ILE 74 HG11 ILE 74 -6.867 -3.305 -2.782 543 2HG1 ILE 74 HG12 ILE 74 -7.826 -2.349 -3.907 544 1HG2 ILE 74 HG21 ILE 74 -9.313 -4.454 -0.726 545 2HG2 ILE 74 HG22 ILE 74 -8.429 -3.101 -0.016 546 3HG2 ILE 74 HG23 ILE 74 -7.591 -4.254 -1.055 547 1HD1 ILE 74 HD11 ILE 74 -5.904 -1.451 -2.077 548 2HD1 ILE 74 HD12 ILE 74 -7.465 -0.879 -1.488 549 3HD1 ILE 74 HD13 ILE 74 -6.942 -0.484 -3.126 550 H GLU 75 HN GLU 75 -7.580 -4.710 -3.105 551 HA GLU 75 HA GLU 75 -8.078 -7.209 -4.182 552 1HB GLU 75 HB1 GLU 75 -5.961 -7.856 -2.874 553 2HB GLU 75 HB2 GLU 75 -5.827 -6.518 -4.012 554 1HG GLU 75 HG1 GLU 75 -6.571 -5.435 -1.512 555 2HG GLU 75 HG2 GLU 75 -5.237 -6.555 -1.243 556 H GLY 76 HN GLY 76 -9.964 -8.104 -3.362 557 1HA GLY 76 HA1 GLY 76 -10.633 -8.392 -0.665 558 2HA GLY 76 HA2 GLY 76 -11.259 -9.382 -1.973 559 H VAL 77 HN VAL 77 -8.446 -10.247 -2.617 560 HA VAL 77 HA VAL 77 -8.396 -12.472 -0.748 561 HB VAL 77 HB VAL 77 -8.072 -12.612 -3.310 562 1HG1 VAL 77 HG11 VAL 77 -6.216 -11.859 -4.275 563 2HG1 VAL 77 HG12 VAL 77 -5.189 -12.532 -3.010 564 3HG1 VAL 77 HG13 VAL 77 -5.937 -10.952 -2.791 565 1HG2 VAL 77 HG21 VAL 77 -7.886 -14.570 -1.991 566 2HG2 VAL 77 HG22 VAL 77 -6.355 -14.040 -1.289 567 3HG2 VAL 77 HG23 VAL 77 -6.431 -14.520 -2.986 568 H SER 78 HN SER 78 -6.509 -9.699 -1.648 569 HA SER 78 HA SER 78 -4.428 -10.366 0.273 570 1HB SER 78 HB1 SER 78 -3.635 -9.606 -1.891 571 2HB SER 78 HB2 SER 78 -4.645 -8.167 -1.794 572 HG SER 78 HG SER 78 -3.369 -7.400 -0.139 573 H ASN 79 HN ASN 79 -5.402 -9.977 2.268 574 HA ASN 79 HA ASN 79 -6.734 -7.453 2.754 575 1HB ASN 79 HB2 ASN 79 -7.098 -9.729 4.036 576 2HB ASN 79 HB1 ASN 79 -5.753 -9.148 5.012 577 1HD2 ASN 79 HD21 ASN 79 -6.269 -6.392 5.088 578 2HD2 ASN 79 HD22 ASN 79 -7.756 -6.133 5.924 579 H ILE 80 HN ILE 80 -5.842 -5.664 3.435 580 HA ILE 80 HA ILE 80 -2.949 -5.659 3.679 581 HB ILE 80 HB ILE 80 -4.817 -3.317 3.435 582 1HG1 ILE 80 HG11 ILE 80 -3.409 -3.925 1.007 583 2HG1 ILE 80 HG12 ILE 80 -4.329 -5.336 1.523 584 1HG2 ILE 80 HG21 ILE 80 -2.237 -2.995 2.252 585 2HG2 ILE 80 HG22 ILE 80 -2.080 -3.497 3.934 586 3HG2 ILE 80 HG23 ILE 80 -3.014 -2.057 3.526 587 1HD1 ILE 80 HD11 ILE 80 -5.407 -2.572 1.039 588 2HD1 ILE 80 HD12 ILE 80 -6.347 -3.934 1.647 589 3HD1 ILE 80 HD13 ILE 80 -5.649 -3.997 0.028 590 H GLU 81 HN GLU 81 -1.840 -4.596 5.273 591 HA GLU 81 HA GLU 81 -3.205 -4.284 7.828 592 1HB GLU 81 HB2 GLU 81 -0.992 -5.458 7.730 593 2HB GLU 81 HB1 GLU 81 -0.265 -3.961 7.162 594 1HG GLU 81 HG1 GLU 81 0.162 -3.554 9.304 595 2HG GLU 81 HG2 GLU 81 -1.550 -3.155 9.435 596 H VAL 82 HN VAL 82 -4.434 -2.607 6.750 597 HA VAL 82 HA VAL 82 -3.139 -0.219 5.863 598 HB VAL 82 HB VAL 82 -6.066 -0.845 6.333 599 1HG1 VAL 82 HG21 VAL 82 -6.307 1.390 6.100 600 2HG1 VAL 82 HG22 VAL 82 -5.943 1.102 4.398 601 3HG1 VAL 82 HG23 VAL 82 -4.660 1.597 5.505 602 1HG2 VAL 82 HG11 VAL 82 -5.490 -2.287 4.656 603 2HG2 VAL 82 HG12 VAL 82 -4.222 -1.230 4.028 604 3HG2 VAL 82 HG13 VAL 82 -5.918 -0.850 3.722 605 H THR 83 HN THR 83 -2.133 -0.373 8.224 606 HA THR 83 HA THR 83 -3.562 1.641 9.800 607 HB THR 83 HB THR 83 -2.029 -0.529 11.191 608 HG1 THR 83 HG1 THR 83 -3.854 -1.764 11.304 609 1HG2 THR 83 HG21 THR 83 -4.509 0.672 12.259 610 2HG2 THR 83 HG22 THR 83 -3.056 1.671 12.229 611 3HG2 THR 83 HG23 THR 83 -3.052 0.134 13.095 612 H ASP 84 HN ASP 84 -0.859 1.034 8.054 613 HA ASP 84 HA ASP 84 1.065 2.074 9.961 614 1HB ASP 84 HB2 ASP 84 1.323 1.258 7.067 615 2HB ASP 84 HB1 ASP 84 2.659 1.865 8.041 616 H VAL 85 HN VAL 85 1.917 4.077 9.985 617 HA VAL 85 HA VAL 85 1.269 5.980 7.879 618 HB VAL 85 HB VAL 85 -0.571 5.990 9.643 619 1HG1 VAL 85 HG11 VAL 85 1.060 7.744 11.346 620 2HG1 VAL 85 HG12 VAL 85 1.449 6.026 11.435 621 3HG1 VAL 85 HG13 VAL 85 -0.190 6.577 11.779 622 1HG2 VAL 85 HG21 VAL 85 -0.967 8.244 9.303 623 2HG2 VAL 85 HG22 VAL 85 0.150 7.860 7.993 624 3HG2 VAL 85 HG23 VAL 85 0.738 8.670 9.445 625 H ARG 86 HN ARG 86 2.507 7.944 7.998 626 HA ARG 86 HA ARG 86 4.683 8.062 9.922 627 1HB ARG 86 HB1 ARG 86 5.026 7.501 7.002 628 2HB ARG 86 HB2 ARG 86 6.236 8.465 7.838 629 1HG ARG 86 HG2 ARG 86 5.877 6.313 9.512 630 2HG ARG 86 HG1 ARG 86 5.760 5.608 7.900 631 1HD ARG 86 HD2 ARG 86 7.898 6.455 7.284 632 2HD ARG 86 HD1 ARG 86 7.987 7.451 8.736 633 HE ARG 86 HE ARG 86 8.654 5.606 9.939 634 1HH1 ARG 86 HH22 ARG 86 7.553 4.620 6.784 635 2HH1 ARG 86 HH21 ARG 86 8.142 2.999 6.943 636 1HH2 ARG 86 HH11 ARG 86 9.434 3.476 10.158 637 2HH2 ARG 86 HH12 ARG 86 9.212 2.348 8.862 638 H ARG 87 HN ARG 87 3.619 9.971 10.579 639 HA ARG 87 HA ARG 87 3.213 12.130 8.720 640 1HB ARG 87 HB1 ARG 87 3.017 11.979 11.731 641 2HB ARG 87 HB2 ARG 87 2.650 13.426 10.802 642 1HG ARG 87 HG2 ARG 87 1.182 11.348 9.620 643 2HG ARG 87 HG1 ARG 87 0.992 11.165 11.365 644 1HD ARG 87 HD2 ARG 87 0.760 13.900 10.901 645 2HD ARG 87 HD1 ARG 87 -0.133 13.142 9.584 646 HE ARG 87 HE ARG 87 -0.795 11.987 12.099 647 1HH1 ARG 87 HH12 ARG 87 -1.370 14.761 10.069 648 2HH1 ARG 87 HH11 ARG 87 -2.930 15.093 10.745 649 1HH2 ARG 87 HH21 ARG 87 -2.846 12.417 12.994 650 2HH2 ARG 87 HH22 ARG 87 -3.770 13.759 12.408 651 H LEU 88 HN LEU 88 5.276 12.558 7.855 652 HA LEU 88 HA LEU 88 7.451 13.264 9.627 653 1HB LEU 88 HB1 LEU 88 7.865 14.104 6.901 654 2HB LEU 88 HB2 LEU 88 8.768 12.952 7.865 655 HG LEU 88 HG LEU 88 6.208 12.226 6.458 656 1HD1 LEU 88 HD11 LEU 88 8.441 13.055 5.146 657 2HD1 LEU 88 HD12 LEU 88 7.269 11.897 4.510 658 3HD1 LEU 88 HD13 LEU 88 8.740 11.321 5.295 659 1HD2 LEU 88 HD21 LEU 88 7.577 10.928 8.408 660 2HD2 LEU 88 HD22 LEU 88 8.311 10.245 6.954 661 3HD2 LEU 88 HD23 LEU 88 6.565 10.139 7.193 662 H MET 89 HN MET 89 6.756 15.059 10.771 663 HA MET 89 HA MET 89 5.898 17.421 9.291 664 1HB MET 89 HB2 MET 89 5.734 16.497 12.092 665 2HB MET 89 HB1 MET 89 5.982 18.225 11.885 666 1HG MET 89 HG1 MET 89 3.955 18.529 10.836 667 2HG MET 89 HG2 MET 89 3.840 16.842 10.340 668 1HE MET 89 HE1 MET 89 2.471 14.909 12.118 669 2HE MET 89 HE2 MET 89 3.209 15.060 13.712 670 3HE MET 89 HE3 MET 89 4.220 15.072 12.267 Start of MODEL 4 1 1H MET 1 HT1 MET 1 11.643 18.173 7.517 2 2H MET 1 HT2 MET 1 11.992 16.922 8.640 3 3H MET 1 HT3 MET 1 11.031 18.262 9.118 4 HA MET 1 HA MET 1 10.287 16.384 6.986 5 1HB MET 1 HB2 MET 1 8.612 15.856 9.070 6 2HB MET 1 HB1 MET 1 10.041 14.911 8.678 7 1HG MET 1 HG2 MET 1 11.304 15.895 10.361 8 2HG MET 1 HG1 MET 1 10.193 17.256 10.527 9 1HE MET 1 HE1 MET 1 11.452 14.187 12.114 10 2HE MET 1 HE2 MET 1 10.456 13.321 10.944 11 3HE MET 1 HE3 MET 1 10.056 13.258 12.662 12 H GLY 2 HN GLY 2 7.881 16.423 6.747 13 1HA GLY 2 HA1 GLY 2 6.220 18.436 7.683 14 2HA GLY 2 HA2 GLY 2 7.001 19.076 6.243 15 H ASP 3 HN ASP 3 7.056 16.040 5.475 16 HA ASP 3 HA ASP 3 4.541 16.168 3.995 17 1HB ASP 3 HB1 ASP 3 7.039 14.514 3.676 18 2HB ASP 3 HB2 ASP 3 5.562 14.151 2.789 19 H VAL 4 HN VAL 4 3.037 14.498 3.978 20 HA VAL 4 HA VAL 4 3.082 12.790 6.365 21 HB VAL 4 HB VAL 4 0.659 13.004 4.641 22 1HG1 VAL 4 HG21 VAL 4 0.231 13.274 7.453 23 2HG1 VAL 4 HG22 VAL 4 1.321 11.921 7.155 24 3HG1 VAL 4 HG23 VAL 4 -0.259 11.969 6.374 25 1HG2 VAL 4 HG11 VAL 4 0.253 15.006 6.461 26 2HG2 VAL 4 HG12 VAL 4 0.663 15.239 4.762 27 3HG2 VAL 4 HG13 VAL 4 1.932 15.263 5.987 28 H VAL 5 HN VAL 5 3.847 10.791 6.024 29 HA VAL 5 HA VAL 5 3.427 9.541 3.395 30 HB VAL 5 HB VAL 5 5.408 8.942 5.595 31 1HG1 VAL 5 HG11 VAL 5 6.203 7.410 3.489 32 2HG1 VAL 5 HG12 VAL 5 4.448 7.249 3.401 33 3HG1 VAL 5 HG13 VAL 5 5.301 6.817 4.885 34 1HG2 VAL 5 HG21 VAL 5 5.454 10.511 3.155 35 2HG2 VAL 5 HG22 VAL 5 6.734 9.297 3.195 36 3HG2 VAL 5 HG23 VAL 5 6.595 10.475 4.499 37 H ALA 6 HN ALA 6 1.691 8.232 3.304 38 HA ALA 6 HA ALA 6 0.864 6.761 5.704 39 1HB ALA 6 HB1 ALA 6 -1.096 6.130 4.122 40 2HB ALA 6 HB2 ALA 6 -0.504 7.471 3.143 41 3HB ALA 6 HB3 ALA 6 -1.021 7.755 4.804 42 H THR 7 HN THR 7 0.839 4.502 5.782 43 HA THR 7 HA THR 7 2.126 3.179 3.488 44 HB THR 7 HB THR 7 2.479 2.365 6.363 45 HG1 THR 7 HG1 THR 7 3.706 4.057 6.480 46 1HG2 THR 7 HG21 THR 7 3.902 1.627 3.824 47 2HG2 THR 7 HG22 THR 7 3.043 0.567 4.946 48 3HG2 THR 7 HG23 THR 7 4.560 1.323 5.434 49 H ILE 8 HN ILE 8 1.199 1.542 2.621 50 HA ILE 8 HA ILE 8 -1.029 0.169 3.984 51 HB ILE 8 HB ILE 8 -0.685 0.535 1.009 52 1HG1 ILE 8 HG12 ILE 8 -0.943 2.694 2.450 53 2HG1 ILE 8 HG11 ILE 8 -1.949 2.486 1.021 54 1HG2 ILE 8 HG21 ILE 8 -2.799 -0.567 2.772 55 2HG2 ILE 8 HG22 ILE 8 -2.159 -1.176 1.244 56 3HG2 ILE 8 HG23 ILE 8 -3.262 0.203 1.252 57 1HD1 ILE 8 HD11 ILE 8 -3.203 1.410 3.402 58 2HD1 ILE 8 HD12 ILE 8 -3.817 2.562 2.214 59 3HD1 ILE 8 HD13 ILE 8 -2.815 3.123 3.552 60 H LYS 9 HN LYS 9 -0.301 -1.837 4.581 61 HA LYS 9 HA LYS 9 1.661 -3.212 2.892 62 1HB LYS 9 HB1 LYS 9 0.870 -4.532 5.376 63 2HB LYS 9 HB2 LYS 9 2.468 -4.168 4.745 64 1HG LYS 9 HG2 LYS 9 1.099 -1.771 5.607 65 2HG LYS 9 HG1 LYS 9 1.201 -2.963 6.898 66 1HD LYS 9 HD2 LYS 9 3.594 -2.251 5.250 67 2HD LYS 9 HD1 LYS 9 3.110 -1.284 6.644 68 1HE LYS 9 HE2 LYS 9 3.355 -4.235 6.953 69 2HE LYS 9 HE1 LYS 9 4.824 -3.261 6.899 70 1HZ LYS 9 HZ1 LYS 9 3.617 -3.749 9.148 71 2HZ LYS 9 HZ2 LYS 9 2.658 -2.433 8.693 72 3HZ LYS 9 HZ3 LYS 9 4.329 -2.241 8.864 73 H VAL 10 HN VAL 10 0.474 -4.108 1.248 74 HA VAL 10 HA VAL 10 -1.871 -5.695 1.890 75 HB VAL 10 HB VAL 10 -2.598 -5.284 -0.178 76 1HG1 VAL 10 HG21 VAL 10 -2.171 -3.145 -0.588 77 2HG1 VAL 10 HG22 VAL 10 -0.535 -3.514 -1.131 78 3HG1 VAL 10 HG23 VAL 10 -0.855 -3.240 0.583 79 1HG2 VAL 10 HG11 VAL 10 -1.585 -6.754 -1.556 80 2HG2 VAL 10 HG12 VAL 10 0.035 -6.338 -0.995 81 3HG2 VAL 10 HG13 VAL 10 -0.789 -5.298 -2.155 82 H MET 11 HN MET 11 -2.074 -7.874 1.760 83 HA MET 11 HA MET 11 0.053 -9.455 0.575 84 1HB MET 11 HB2 MET 11 0.898 -10.405 2.438 85 2HB MET 11 HB1 MET 11 0.268 -8.972 3.234 86 1HG MET 11 HG1 MET 11 -1.425 -10.098 4.249 87 2HG MET 11 HG2 MET 11 -1.542 -11.305 2.971 88 1HE MET 11 HE1 MET 11 -0.037 -13.679 3.020 89 2HE MET 11 HE2 MET 11 -1.565 -13.409 3.861 90 3HE MET 11 HE3 MET 11 -0.238 -14.231 4.683 91 HA PRO 12 HA PRO 12 -3.621 -11.687 -0.648 92 1HB PRO 12 HB1 PRO 12 -1.757 -13.585 -1.881 93 2HB PRO 12 HB2 PRO 12 -2.936 -12.517 -2.649 94 1HG PRO 12 HG1 PRO 12 -0.282 -12.104 -2.858 95 2HG PRO 12 HG2 PRO 12 -1.444 -10.767 -2.805 96 1HD PRO 12 HD2 PRO 12 0.272 -11.870 -0.604 97 2HD PRO 12 HD1 PRO 12 -0.042 -10.176 -1.041 98 H GLU 13 HN GLU 13 -4.669 -12.973 0.725 99 HA GLU 13 HA GLU 13 -3.488 -14.508 2.727 100 1HB GLU 13 HB1 GLU 13 -6.183 -14.113 1.655 101 2HB GLU 13 HB2 GLU 13 -5.934 -15.716 2.334 102 1HG GLU 13 HG2 GLU 13 -5.097 -14.626 4.414 103 2HG GLU 13 HG1 GLU 13 -5.570 -13.075 3.724 104 H SER 14 HN SER 14 -4.291 -15.313 -0.570 105 HA SER 14 HA SER 14 -3.978 -18.148 -0.211 106 1HB SER 14 HB1 SER 14 -4.430 -18.343 -2.518 107 2HB SER 14 HB2 SER 14 -5.371 -16.939 -2.022 108 HG SER 14 HG SER 14 -4.328 -16.198 -3.752 109 HA PRO 15 HA PRO 15 0.394 -18.460 -0.718 110 1HB PRO 15 HB2 PRO 15 0.631 -20.804 -2.070 111 2HB PRO 15 HB1 PRO 15 0.200 -20.724 -0.358 112 1HG PRO 15 HG2 PRO 15 -1.571 -21.084 -2.746 113 2HG PRO 15 HG1 PRO 15 -1.621 -21.916 -1.180 114 1HD PRO 15 HD2 PRO 15 -3.293 -19.877 -1.805 115 2HD PRO 15 HD1 PRO 15 -2.728 -20.177 -0.150 116 H ASP 16 HN ASP 16 -1.701 -17.845 -3.201 117 HA ASP 16 HA ASP 16 0.280 -17.922 -5.344 118 1HB ASP 16 HB2 ASP 16 -2.544 -18.143 -5.249 119 2HB ASP 16 HB1 ASP 16 -2.179 -16.657 -6.121 120 H VAL 17 HN VAL 17 0.913 -16.243 -3.249 121 HA VAL 17 HA VAL 17 0.072 -13.579 -3.561 122 HB VAL 17 HB VAL 17 2.648 -14.644 -2.388 123 1HG1 VAL 17 HG21 VAL 17 3.246 -12.467 -2.487 124 2HG1 VAL 17 HG22 VAL 17 2.203 -12.334 -1.070 125 3HG1 VAL 17 HG23 VAL 17 1.584 -11.906 -2.666 126 1HG2 VAL 17 HG11 VAL 17 0.178 -15.168 -1.495 127 2HG2 VAL 17 HG12 VAL 17 0.459 -13.626 -0.688 128 3HG2 VAL 17 HG13 VAL 17 1.569 -14.972 -0.428 129 H ASP 18 HN ASP 18 0.170 -13.320 -5.902 130 HA ASP 18 HA ASP 18 2.649 -13.360 -7.318 131 1HB ASP 18 HB1 ASP 18 -0.013 -12.076 -7.943 132 2HB ASP 18 HB2 ASP 18 1.371 -12.029 -9.034 133 H LEU 19 HN LEU 19 4.215 -12.133 -6.507 134 HA LEU 19 HA LEU 19 3.899 -9.672 -5.211 135 1HB LEU 19 HB1 LEU 19 5.962 -11.435 -5.661 136 2HB LEU 19 HB2 LEU 19 6.445 -10.061 -6.634 137 HG LEU 19 HG LEU 19 7.444 -9.990 -4.404 138 1HD1 LEU 19 HD11 LEU 19 6.376 -7.924 -5.756 139 2HD1 LEU 19 HD12 LEU 19 7.288 -7.750 -4.256 140 3HD1 LEU 19 HD13 LEU 19 5.526 -7.766 -4.220 141 1HD2 LEU 19 HD21 LEU 19 6.263 -9.987 -2.426 142 2HD2 LEU 19 HD22 LEU 19 5.340 -11.136 -3.395 143 3HD2 LEU 19 HD23 LEU 19 4.761 -9.482 -3.200 144 H GLU 20 HN GLU 20 5.032 -10.327 -8.535 145 HA GLU 20 HA GLU 20 5.207 -7.574 -9.183 146 1HB GLU 20 HB2 GLU 20 5.598 -8.296 -11.462 147 2HB GLU 20 HB1 GLU 20 6.512 -9.301 -10.347 148 1HG GLU 20 HG1 GLU 20 4.968 -11.103 -10.599 149 2HG GLU 20 HG2 GLU 20 3.853 -10.083 -11.511 150 H ALA 21 HN ALA 21 2.654 -9.968 -9.532 151 HA ALA 21 HA ALA 21 1.019 -8.349 -11.227 152 1HB ALA 21 HB1 ALA 21 0.764 -10.830 -10.958 153 2HB ALA 21 HB2 ALA 21 -0.733 -9.909 -10.815 154 3HB ALA 21 HB3 ALA 21 0.071 -10.517 -9.368 155 H LEU 22 HN LEU 22 1.484 -8.756 -7.808 156 HA LEU 22 HA LEU 22 -0.697 -7.158 -6.925 157 1HB LEU 22 HB2 LEU 22 0.983 -8.803 -5.645 158 2HB LEU 22 HB1 LEU 22 1.843 -7.308 -5.362 159 HG LEU 22 HG LEU 22 0.404 -6.637 -3.772 160 1HD1 LEU 22 HD21 LEU 22 -1.984 -6.674 -3.902 161 2HD1 LEU 22 HD22 LEU 22 -1.946 -7.840 -5.224 162 3HD1 LEU 22 HD23 LEU 22 -1.358 -6.196 -5.482 163 1HD2 LEU 22 HD11 LEU 22 0.528 -8.516 -2.585 164 2HD2 LEU 22 HD12 LEU 22 0.210 -9.534 -3.990 165 3HD2 LEU 22 HD13 LEU 22 -1.133 -8.799 -3.111 166 H LYS 23 HN LYS 23 2.562 -6.581 -7.963 167 HA LYS 23 HA LYS 23 2.956 -3.953 -7.110 168 1HB LYS 23 HB2 LYS 23 4.140 -5.796 -9.038 169 2HB LYS 23 HB1 LYS 23 4.187 -4.134 -9.607 170 1HG LYS 23 HG2 LYS 23 6.118 -4.077 -8.478 171 2HG LYS 23 HG1 LYS 23 5.074 -3.808 -7.078 172 1HD LYS 23 HD2 LYS 23 5.302 -5.973 -6.327 173 2HD LYS 23 HD1 LYS 23 5.721 -6.593 -7.926 174 1HE LYS 23 HE2 LYS 23 7.649 -6.581 -6.422 175 2HE LYS 23 HE1 LYS 23 7.891 -5.513 -7.801 176 1HZ LYS 23 HZ1 LYS 23 6.883 -4.504 -5.211 177 2HZ LYS 23 HZ2 LYS 23 7.576 -3.629 -6.483 178 3HZ LYS 23 HZ3 LYS 23 8.540 -4.638 -5.527 179 H LYS 24 HN LYS 24 1.557 -5.222 -10.116 180 HA LYS 24 HA LYS 24 1.051 -2.702 -11.285 181 1HB LYS 24 HB1 LYS 24 -0.726 -5.031 -11.872 182 2HB LYS 24 HB2 LYS 24 -0.030 -3.852 -12.974 183 1HG LYS 24 HG2 LYS 24 2.219 -4.963 -12.408 184 2HG LYS 24 HG1 LYS 24 1.233 -6.287 -11.782 185 1HD LYS 24 HD1 LYS 24 0.431 -5.332 -14.435 186 2HD LYS 24 HD2 LYS 24 2.050 -6.032 -14.372 187 1HE LYS 24 HE2 LYS 24 0.564 -7.799 -12.886 188 2HE LYS 24 HE1 LYS 24 -0.560 -7.319 -14.157 189 1HZ LYS 24 HZ1 LYS 24 1.030 -9.290 -14.554 190 2HZ LYS 24 HZ2 LYS 24 2.193 -8.098 -14.848 191 3HZ LYS 24 HZ3 LYS 24 0.794 -8.167 -15.797 192 H GLU 25 HN GLU 25 -0.909 -4.842 -9.255 193 HA GLU 25 HA GLU 25 -3.291 -3.301 -9.441 194 1HB GLU 25 HB1 GLU 25 -2.445 -5.166 -7.216 195 2HB GLU 25 HB2 GLU 25 -4.084 -4.636 -7.571 196 1HG GLU 25 HG2 GLU 25 -3.018 -5.789 -9.927 197 2HG GLU 25 HG1 GLU 25 -2.683 -6.881 -8.585 198 H ILE 26 HN ILE 26 -0.476 -3.177 -7.409 199 HA ILE 26 HA ILE 26 -1.492 -1.578 -5.337 200 HB ILE 26 HB ILE 26 1.228 -2.260 -6.325 201 1HG1 ILE 26 HG11 ILE 26 0.386 -2.145 -3.461 202 2HG1 ILE 26 HG12 ILE 26 -0.341 -3.374 -4.492 203 1HG2 ILE 26 HG21 ILE 26 1.845 -0.087 -5.998 204 2HG2 ILE 26 HG22 ILE 26 1.995 -0.680 -4.344 205 3HG2 ILE 26 HG23 ILE 26 0.559 0.221 -4.832 206 1HD1 ILE 26 HD11 ILE 26 2.248 -3.315 -3.265 207 2HD1 ILE 26 HD12 ILE 26 2.391 -3.501 -5.014 208 3HD1 ILE 26 HD13 ILE 26 1.419 -4.640 -4.082 209 H GLN 27 HN GLN 27 0.032 -0.767 -8.424 210 HA GLN 27 HA GLN 27 0.214 2.016 -7.978 211 1HB GLN 27 HB1 GLN 27 -0.052 0.485 -10.577 212 2HB GLN 27 HB2 GLN 27 0.419 2.174 -10.440 213 1HG GLN 27 HG1 GLN 27 2.143 0.757 -8.749 214 2HG GLN 27 HG2 GLN 27 2.026 -0.187 -10.235 215 1HE2 GLN 27 HE22 GLN 27 3.831 2.038 -8.776 216 2HE2 GLN 27 HE21 GLN 27 4.434 2.910 -10.139 217 H GLU 28 HN GLU 28 -2.315 -0.052 -9.317 218 HA GLU 28 HA GLU 28 -3.985 2.174 -10.066 219 1HB GLU 28 HB2 GLU 28 -5.505 0.580 -10.894 220 2HB GLU 28 HB1 GLU 28 -3.912 -0.096 -11.195 221 1HG GLU 28 HG1 GLU 28 -4.174 -1.441 -9.111 222 2HG GLU 28 HG2 GLU 28 -5.845 -0.881 -9.037 223 H ARG 29 HN ARG 29 -3.454 0.384 -7.209 224 HA ARG 29 HA ARG 29 -6.073 0.981 -6.097 225 1HB ARG 29 HB2 ARG 29 -5.524 -0.438 -4.335 226 2HB ARG 29 HB1 ARG 29 -4.753 -1.181 -5.727 227 1HG ARG 29 HG1 ARG 29 -2.614 -0.339 -5.070 228 2HG ARG 29 HG2 ARG 29 -3.335 0.614 -3.767 229 1HD ARG 29 HD1 ARG 29 -4.151 -1.526 -2.773 230 2HD ARG 29 HD2 ARG 29 -3.239 -2.394 -4.005 231 HE ARG 29 HE ARG 29 -1.406 -2.119 -2.701 232 1HH1 ARG 29 HH11 ARG 29 -3.591 0.516 -2.032 233 2HH1 ARG 29 HH12 ARG 29 -2.568 1.223 -0.827 234 1HH2 ARG 29 HH22 ARG 29 -0.061 -1.194 -1.120 235 2HH2 ARG 29 HH21 ARG 29 -0.561 0.251 -0.310 236 H ILE 30 HN ILE 30 -3.099 2.518 -6.370 237 HA ILE 30 HA ILE 30 -2.807 3.760 -3.875 238 HB ILE 30 HB ILE 30 -2.004 4.658 -6.637 239 1HG1 ILE 30 HG11 ILE 30 -0.919 2.645 -5.611 240 2HG1 ILE 30 HG12 ILE 30 0.197 3.947 -5.991 241 1HG2 ILE 30 HG21 ILE 30 -0.576 5.973 -4.485 242 2HG2 ILE 30 HG22 ILE 30 -2.297 6.365 -4.468 243 3HG2 ILE 30 HG23 ILE 30 -1.339 6.659 -5.920 244 1HD1 ILE 30 HD11 ILE 30 -0.882 4.001 -3.265 245 2HD1 ILE 30 HD12 ILE 30 0.766 4.247 -3.844 246 3HD1 ILE 30 HD13 ILE 30 0.136 2.612 -3.648 247 HA PRO 31 HA PRO 31 -6.253 6.536 -3.461 248 1HB PRO 31 HB2 PRO 31 -4.765 8.671 -2.404 249 2HB PRO 31 HB1 PRO 31 -5.570 7.401 -1.484 250 1HG PRO 31 HG2 PRO 31 -2.715 7.630 -2.306 251 2HG PRO 31 HG1 PRO 31 -3.409 6.969 -0.812 252 1HD PRO 31 HD1 PRO 31 -2.476 5.350 -2.711 253 2HD PRO 31 HD2 PRO 31 -3.960 4.947 -1.822 254 H GLU 32 HN GLU 32 -7.077 7.447 -5.216 255 HA GLU 32 HA GLU 32 -5.642 8.610 -7.311 256 1HB GLU 32 HB1 GLU 32 -8.528 8.655 -6.495 257 2HB GLU 32 HB2 GLU 32 -7.980 9.612 -7.864 258 1HG GLU 32 HG1 GLU 32 -8.785 7.584 -8.745 259 2HG GLU 32 HG2 GLU 32 -7.026 7.493 -8.823 260 H GLY 33 HN GLY 33 -5.853 9.881 -4.306 261 1HA GLY 33 HA1 GLY 33 -6.421 12.621 -5.004 262 2HA GLY 33 HA2 GLY 33 -5.910 12.028 -3.432 263 H THR 34 HN THR 34 -3.501 10.825 -4.035 264 HA THR 34 HA THR 34 -1.915 13.007 -5.212 265 HB THR 34 HB THR 34 -0.839 11.501 -2.867 266 HG1 THR 34 HG1 THR 34 -2.871 13.435 -2.796 267 1HG2 THR 34 HG21 THR 34 -0.551 14.355 -3.765 268 2HG2 THR 34 HG22 THR 34 0.635 13.065 -3.966 269 3HG2 THR 34 HG23 THR 34 0.221 13.638 -2.350 270 H GLU 35 HN GLU 35 0.398 11.194 -4.070 271 HA GLU 35 HA GLU 35 0.298 9.103 -6.118 272 1HB GLU 35 HB1 GLU 35 2.515 11.118 -5.731 273 2HB GLU 35 HB2 GLU 35 2.708 9.632 -6.651 274 1HG GLU 35 HG1 GLU 35 0.496 10.655 -7.817 275 2HG GLU 35 HG2 GLU 35 1.339 12.132 -7.353 276 H LEU 36 HN LEU 36 2.101 7.508 -5.822 277 HA LEU 36 HA LEU 36 2.126 6.673 -3.087 278 1HB LEU 36 HB1 LEU 36 3.018 4.649 -3.838 279 2HB LEU 36 HB2 LEU 36 1.956 5.175 -5.126 280 HG LEU 36 HG LEU 36 4.972 5.341 -5.118 281 1HD1 LEU 36 HD21 LEU 36 4.344 3.104 -5.494 282 2HD1 LEU 36 HD22 LEU 36 4.642 3.785 -7.094 283 3HD1 LEU 36 HD23 LEU 36 2.986 3.572 -6.522 284 1HD2 LEU 36 HD11 LEU 36 4.768 6.132 -7.414 285 2HD2 LEU 36 HD12 LEU 36 4.000 7.251 -6.288 286 3HD2 LEU 36 HD13 LEU 36 3.012 6.159 -7.257 287 H HIS 37 HN HIS 37 4.516 5.517 -2.615 288 HA HIS 37 HA HIS 37 6.481 7.705 -2.701 289 1HB HIS 37 HB1 HIS 37 5.422 7.692 -0.503 290 2HB HIS 37 HB2 HIS 37 5.744 5.976 -0.331 291 HD2 HIS 37 HD2 HIS 37 8.079 5.347 0.841 292 HE1 HIS 37 HE1 HIS 37 9.813 9.204 0.632 293 HE2 HIS 37 HE2 HIS 37 10.090 6.843 1.514 294 H LYS 38 HN LYS 38 6.519 4.558 -1.150 295 HA LYS 38 HA LYS 38 8.186 3.312 -3.112 296 1HB LYS 38 HB2 LYS 38 10.134 4.144 -2.360 297 2HB LYS 38 HB1 LYS 38 9.383 4.811 -0.920 298 1HG LYS 38 HG2 LYS 38 10.967 3.332 -0.097 299 2HG LYS 38 HG1 LYS 38 9.454 2.426 -0.001 300 1HD LYS 38 HD1 LYS 38 10.031 1.022 -1.731 301 2HD LYS 38 HD2 LYS 38 11.123 2.199 -2.463 302 1HE LYS 38 HE2 LYS 38 12.322 0.295 -1.465 303 2HE LYS 38 HE1 LYS 38 12.752 1.832 -0.717 304 1HZ LYS 38 HZ1 LYS 38 12.110 1.061 1.241 305 2HZ LYS 38 HZ2 LYS 38 11.834 -0.455 0.543 306 3HZ LYS 38 HZ3 LYS 38 10.574 0.668 0.654 307 H ILE 39 HN ILE 39 7.868 1.172 -2.993 308 HA ILE 39 HA ILE 39 6.257 0.176 -0.802 309 HB ILE 39 HB ILE 39 7.081 -1.419 -3.201 310 1HG1 ILE 39 HG11 ILE 39 4.995 0.750 -2.964 311 2HG1 ILE 39 HG12 ILE 39 6.251 0.576 -4.185 312 1HG2 ILE 39 HG21 ILE 39 4.812 -2.409 -2.793 313 2HG2 ILE 39 HG22 ILE 39 4.738 -1.456 -1.309 314 3HG2 ILE 39 HG23 ILE 39 5.985 -2.688 -1.507 315 1HD1 ILE 39 HD11 ILE 39 4.538 -0.156 -5.430 316 2HD1 ILE 39 HD12 ILE 39 3.581 -0.633 -4.025 317 3HD1 ILE 39 HD13 ILE 39 4.870 -1.684 -4.614 318 H ASP 40 HN ASP 40 6.630 -1.945 0.131 319 HA ASP 40 HA ASP 40 9.490 -2.622 0.375 320 1HB ASP 40 HB1 ASP 40 7.946 -1.495 2.353 321 2HB ASP 40 HB2 ASP 40 7.801 -3.215 2.705 322 H GLU 41 HN GLU 41 9.900 -4.638 -0.249 323 HA GLU 41 HA GLU 41 7.755 -6.566 -0.502 324 1HB GLU 41 HB2 GLU 41 9.737 -8.032 -1.307 325 2HB GLU 41 HB1 GLU 41 9.203 -6.696 -2.318 326 1HG GLU 41 HG2 GLU 41 11.042 -5.382 -1.766 327 2HG GLU 41 HG1 GLU 41 11.413 -6.348 -0.339 328 H GLU 42 HN GLU 42 7.386 -6.541 1.865 329 HA GLU 42 HA GLU 42 9.359 -8.066 3.404 330 1HB GLU 42 HB1 GLU 42 7.459 -5.979 4.037 331 2HB GLU 42 HB2 GLU 42 7.224 -7.374 5.081 332 1HG GLU 42 HG2 GLU 42 9.954 -7.057 5.062 333 2HG GLU 42 HG1 GLU 42 9.348 -5.397 5.053 334 HA PRO 43 HA PRO 43 6.650 -11.568 3.063 335 1HB PRO 43 HB1 PRO 43 8.149 -13.329 4.448 336 2HB PRO 43 HB2 PRO 43 8.590 -12.769 2.832 337 1HG PRO 43 HG2 PRO 43 9.756 -12.069 5.460 338 2HG PRO 43 HG1 PRO 43 10.508 -12.061 3.859 339 1HD PRO 43 HD1 PRO 43 9.498 -9.830 5.299 340 2HD PRO 43 HD2 PRO 43 10.100 -9.847 3.634 341 H ILE 44 HN ILE 44 5.307 -12.903 4.318 342 HA ILE 44 HA ILE 44 4.987 -12.040 7.117 343 HB ILE 44 HB ILE 44 2.623 -12.848 5.488 344 1HG1 ILE 44 HG12 ILE 44 3.879 -11.174 4.130 345 2HG1 ILE 44 HG11 ILE 44 2.306 -10.590 4.658 346 1HG2 ILE 44 HG21 ILE 44 1.399 -11.608 7.045 347 2HG2 ILE 44 HG22 ILE 44 2.810 -10.681 7.555 348 3HG2 ILE 44 HG23 ILE 44 2.660 -12.379 8.007 349 1HD1 ILE 44 HD11 ILE 44 4.978 -9.579 5.229 350 2HD1 ILE 44 HD12 ILE 44 3.959 -9.726 6.663 351 3HD1 ILE 44 HD13 ILE 44 3.416 -8.761 5.290 352 H ALA 45 HN ALA 45 3.112 -14.380 5.259 353 HA ALA 45 HA ALA 45 3.225 -16.326 7.320 354 1HB ALA 45 HB1 ALA 45 1.755 -17.553 6.059 355 2HB ALA 45 HB2 ALA 45 2.492 -17.073 4.530 356 3HB ALA 45 HB3 ALA 45 1.472 -15.936 5.413 357 H PHE 46 HN PHE 46 3.533 -18.638 5.483 358 HA PHE 46 HA PHE 46 6.305 -19.100 5.918 359 1HB PHE 46 HB2 PHE 46 4.555 -20.747 4.098 360 2HB PHE 46 HB1 PHE 46 5.928 -21.275 5.066 361 HD1 PHE 46 HD1 PHE 46 2.466 -21.302 4.839 362 HD2 PHE 46 HD2 PHE 46 5.601 -20.844 7.680 363 HE1 PHE 46 HE1 PHE 46 0.929 -21.976 6.638 364 HE2 PHE 46 HE2 PHE 46 4.070 -21.517 9.485 365 HZ PHE 46 HZ PHE 46 1.730 -22.085 8.965 366 H GLY 47 HN GLY 47 4.385 -18.093 3.178 367 1HA GLY 47 HA1 GLY 47 6.831 -17.387 1.759 368 2HA GLY 47 HA2 GLY 47 5.771 -18.537 0.958 369 H LEU 48 HN LEU 48 3.964 -16.412 2.824 370 HA LEU 48 HA LEU 48 3.106 -15.000 0.425 371 1HB LEU 48 HB2 LEU 48 1.879 -14.713 3.152 372 2HB LEU 48 HB1 LEU 48 1.140 -14.428 1.589 373 HG LEU 48 HG LEU 48 1.650 -17.033 2.982 374 1HD1 LEU 48 HD11 LEU 48 -0.618 -15.397 2.334 375 2HD1 LEU 48 HD12 LEU 48 -0.531 -16.848 3.335 376 3HD1 LEU 48 HD13 LEU 48 -0.785 -16.991 1.595 377 1HD2 LEU 48 HD21 LEU 48 1.061 -16.750 0.040 378 2HD2 LEU 48 HD22 LEU 48 1.184 -18.254 0.955 379 3HD2 LEU 48 HD23 LEU 48 2.612 -17.245 0.722 380 H VAL 49 HN VAL 49 4.456 -13.361 -0.024 381 HA VAL 49 HA VAL 49 5.428 -11.636 2.099 382 HB VAL 49 HB VAL 49 6.022 -11.712 -0.859 383 1HG1 VAL 49 HG21 VAL 49 7.289 -9.943 1.232 384 2HG1 VAL 49 HG22 VAL 49 6.144 -9.404 0.005 385 3HG1 VAL 49 HG23 VAL 49 7.721 -10.029 -0.475 386 1HG2 VAL 49 HG11 VAL 49 7.188 -13.485 -0.018 387 2HG2 VAL 49 HG12 VAL 49 7.347 -12.765 1.584 388 3HG2 VAL 49 HG13 VAL 49 8.363 -12.200 0.258 389 H ALA 50 HN ALA 50 4.641 -9.710 2.587 390 HA ALA 50 HA ALA 50 2.501 -8.581 0.949 391 1HB ALA 50 HB1 ALA 50 1.998 -7.177 2.857 392 2HB ALA 50 HB2 ALA 50 3.438 -7.760 3.695 393 3HB ALA 50 HB3 ALA 50 2.104 -8.865 3.363 394 H LEU 51 HN LEU 51 2.475 -6.252 0.580 395 HA LEU 51 HA LEU 51 5.188 -5.153 0.260 396 1HB LEU 51 HB1 LEU 51 2.830 -5.160 -1.592 397 2HB LEU 51 HB2 LEU 51 3.997 -3.857 -1.682 398 HG LEU 51 HG LEU 51 5.786 -5.522 -2.099 399 1HD1 LEU 51 HD11 LEU 51 4.851 -7.440 -0.997 400 2HD1 LEU 51 HD12 LEU 51 5.108 -7.822 -2.700 401 3HD1 LEU 51 HD13 LEU 51 3.484 -7.465 -2.111 402 1HD2 LEU 51 HD21 LEU 51 4.503 -4.387 -3.928 403 2HD2 LEU 51 HD22 LEU 51 3.513 -5.842 -4.042 404 3HD2 LEU 51 HD23 LEU 51 5.242 -5.925 -4.376 405 H ASN 52 HN ASN 52 5.521 -3.417 1.453 406 HA ASN 52 HA ASN 52 3.254 -1.958 2.554 407 1HB ASN 52 HB1 ASN 52 6.148 -1.317 3.096 408 2HB ASN 52 HB2 ASN 52 4.750 -1.078 4.140 409 1HD2 ASN 52 HD22 ASN 52 3.685 -3.738 3.634 410 2HD2 ASN 52 HD21 ASN 52 4.686 -4.833 4.518 411 H VAL 53 HN VAL 53 2.489 -0.859 0.807 412 HA VAL 53 HA VAL 53 4.225 0.839 -0.757 413 HB VAL 53 HB VAL 53 1.221 0.704 -0.916 414 1HG1 VAL 53 HG21 VAL 53 2.951 2.372 -2.169 415 2HG1 VAL 53 HG22 VAL 53 1.391 1.878 -2.826 416 3HG1 VAL 53 HG23 VAL 53 2.863 1.045 -3.327 417 1HG2 VAL 53 HG11 VAL 53 2.702 -0.909 -2.844 418 2HG2 VAL 53 HG12 VAL 53 1.243 -1.287 -1.928 419 3HG2 VAL 53 HG13 VAL 53 2.830 -1.491 -1.184 420 H MET 54 HN MET 54 4.893 2.618 0.271 421 HA MET 54 HA MET 54 3.109 4.139 1.970 422 1HB MET 54 HB1 MET 54 5.976 4.590 1.117 423 2HB MET 54 HB2 MET 54 5.098 5.656 2.207 424 1HG MET 54 HG1 MET 54 5.419 4.317 3.950 425 2HG MET 54 HG2 MET 54 4.992 2.874 3.033 426 1HE MET 54 HE1 MET 54 6.681 1.476 4.382 427 2HE MET 54 HE2 MET 54 7.296 2.838 5.319 428 3HE MET 54 HE3 MET 54 8.417 1.775 4.468 429 H VAL 55 HN VAL 55 2.915 6.526 1.642 430 HA VAL 55 HA VAL 55 2.924 7.299 -1.182 431 HB VAL 55 HB VAL 55 0.675 7.991 -1.234 432 1HG1 VAL 55 HG11 VAL 55 0.779 5.668 -1.627 433 2HG1 VAL 55 HG12 VAL 55 -0.593 5.918 -0.546 434 3HG1 VAL 55 HG13 VAL 55 0.934 5.312 0.095 435 1HG2 VAL 55 HG21 VAL 55 0.677 8.920 1.101 436 2HG2 VAL 55 HG22 VAL 55 0.329 7.287 1.670 437 3HG2 VAL 55 HG23 VAL 55 -0.813 8.116 0.612 438 H VAL 56 HN VAL 56 3.405 9.399 -1.545 439 HA VAL 56 HA VAL 56 4.011 11.037 0.804 440 HB VAL 56 HB VAL 56 4.655 11.917 -1.979 441 1HG1 VAL 56 HG11 VAL 56 5.200 12.836 0.601 442 2HG1 VAL 56 HG12 VAL 56 5.883 13.429 -0.913 443 3HG1 VAL 56 HG13 VAL 56 6.724 12.180 0.003 444 1HG2 VAL 56 HG21 VAL 56 6.550 10.118 -0.529 445 2HG2 VAL 56 HG22 VAL 56 6.487 10.535 -2.242 446 3HG2 VAL 56 HG23 VAL 56 5.292 9.434 -1.559 447 H VAL 57 HN VAL 57 2.428 12.334 1.480 448 HA VAL 57 HA VAL 57 0.916 13.843 -0.542 449 HB VAL 57 HB VAL 57 -1.116 13.698 0.763 450 1HG1 VAL 57 HG21 VAL 57 -0.156 10.870 0.538 451 2HG1 VAL 57 HG22 VAL 57 -0.377 11.871 -0.897 452 3HG1 VAL 57 HG23 VAL 57 -1.744 11.541 0.168 453 1HG2 VAL 57 HG11 VAL 57 -1.085 13.233 2.932 454 2HG2 VAL 57 HG12 VAL 57 0.638 12.869 2.839 455 3HG2 VAL 57 HG13 VAL 57 -0.549 11.592 2.574 456 H GLY 58 HN GLY 58 0.588 15.982 -0.112 457 1HA GLY 58 HA2 GLY 58 0.797 17.153 2.457 458 2HA GLY 58 HA1 GLY 58 2.326 17.320 1.605 459 H ASP 59 HN ASP 59 1.893 18.029 -0.827 460 HA ASP 59 HA ASP 59 0.613 20.605 -0.612 461 1HB ASP 59 HB2 ASP 59 2.826 20.015 -1.851 462 2HB ASP 59 HB1 ASP 59 1.763 19.503 -3.157 463 H ALA 60 HN ALA 60 -0.292 17.515 -1.565 464 HA ALA 60 HA ALA 60 -2.142 18.104 -3.631 465 1HB ALA 60 HB1 ALA 60 -2.432 15.782 -1.774 466 2HB ALA 60 HB2 ALA 60 -1.095 15.856 -2.922 467 3HB ALA 60 HB3 ALA 60 -2.760 15.877 -3.505 468 H GLU 61 HN GLU 61 -4.235 16.449 -2.111 469 HA GLU 61 HA GLU 61 -5.304 18.435 -0.269 470 1HB GLU 61 HB1 GLU 61 -7.571 17.929 -1.629 471 2HB GLU 61 HB2 GLU 61 -6.537 19.312 -1.962 472 1HG GLU 61 HG1 GLU 61 -5.376 17.520 -3.565 473 2HG GLU 61 HG2 GLU 61 -7.013 16.866 -3.546 474 H GLY 62 HN GLY 62 -7.814 17.425 0.102 475 1HA GLY 62 HA1 GLY 62 -7.225 14.966 1.506 476 2HA GLY 62 HA2 GLY 62 -8.748 15.846 1.532 477 H GLY 63 HN GLY 63 -7.542 15.339 -1.585 478 1HA GLY 63 HA2 GLY 63 -9.739 13.684 -2.316 479 2HA GLY 63 HA1 GLY 63 -8.390 14.131 -3.349 480 H THR 64 HN THR 64 -6.992 12.847 -0.684 481 HA THR 64 HA THR 64 -6.349 10.404 -2.036 482 HB THR 64 HB THR 64 -4.787 10.015 -0.347 483 HG1 THR 64 HG1 THR 64 -5.191 10.335 1.690 484 1HG2 THR 64 HG21 THR 64 -5.190 12.956 -0.650 485 2HG2 THR 64 HG22 THR 64 -3.924 11.921 -1.312 486 3HG2 THR 64 HG23 THR 64 -3.933 12.315 0.407 487 H GLU 65 HN GLU 65 -8.993 11.331 -0.341 488 HA GLU 65 HA GLU 65 -9.617 9.221 1.379 489 1HB GLU 65 HB2 GLU 65 -11.988 9.823 0.885 490 2HB GLU 65 HB1 GLU 65 -10.986 11.197 1.319 491 1HG GLU 65 HG2 GLU 65 -11.090 12.115 -0.759 492 2HG GLU 65 HG1 GLU 65 -11.288 10.556 -1.557 493 H ALA 66 HN ALA 66 -9.471 9.423 -2.032 494 HA ALA 66 HA ALA 66 -11.172 7.407 -2.868 495 1HB ALA 66 HB1 ALA 66 -9.913 7.324 -4.888 496 2HB ALA 66 HB2 ALA 66 -8.480 7.974 -4.092 497 3HB ALA 66 HB3 ALA 66 -9.899 8.996 -4.327 498 H ALA 67 HN ALA 67 -8.132 7.166 -1.217 499 HA ALA 67 HA ALA 67 -7.401 4.548 -1.908 500 1HB ALA 67 HB1 ALA 67 -6.525 6.528 -0.068 501 2HB ALA 67 HB2 ALA 67 -5.670 5.093 -0.638 502 3HB ALA 67 HB3 ALA 67 -6.691 4.999 0.797 503 H GLU 68 HN GLU 68 -9.163 5.701 0.971 504 HA GLU 68 HA GLU 68 -9.845 3.184 1.979 505 1HB GLU 68 HB1 GLU 68 -11.222 5.862 2.226 506 2HB GLU 68 HB2 GLU 68 -11.730 4.435 3.118 507 1HG GLU 68 HG2 GLU 68 -8.946 4.737 3.508 508 2HG GLU 68 HG1 GLU 68 -9.698 6.312 3.758 509 H GLU 69 HN GLU 69 -11.316 5.181 -0.494 510 HA GLU 69 HA GLU 69 -13.778 3.829 -0.733 511 1HB GLU 69 HB1 GLU 69 -12.309 5.863 -2.180 512 2HB GLU 69 HB2 GLU 69 -13.076 4.738 -3.291 513 1HG GLU 69 HG2 GLU 69 -15.048 5.268 -1.434 514 2HG GLU 69 HG1 GLU 69 -14.242 6.821 -1.652 515 H SER 70 HN SER 70 -10.731 3.497 -2.524 516 HA SER 70 HA SER 70 -11.554 1.303 -4.105 517 1HB SER 70 HB2 SER 70 -9.428 1.344 -4.972 518 2HB SER 70 HB1 SER 70 -9.447 2.949 -4.239 519 HG SER 70 HG SER 70 -7.655 1.263 -3.779 520 H LEU 71 HN LEU 71 -10.611 1.592 -0.835 521 HA LEU 71 HA LEU 71 -9.612 -1.053 -0.457 522 1HB LEU 71 HB2 LEU 71 -9.955 1.309 1.100 523 2HB LEU 71 HB1 LEU 71 -10.682 -0.027 1.968 524 HG LEU 71 HG LEU 71 -8.388 0.277 2.680 525 1HD1 LEU 71 HD11 LEU 71 -7.527 -1.970 2.277 526 2HD1 LEU 71 HD12 LEU 71 -8.687 -2.183 0.965 527 3HD1 LEU 71 HD13 LEU 71 -9.257 -1.999 2.622 528 1HD2 LEU 71 HD21 LEU 71 -6.604 -0.330 0.888 529 2HD2 LEU 71 HD22 LEU 71 -7.237 1.314 0.975 530 3HD2 LEU 71 HD23 LEU 71 -7.839 0.201 -0.254 531 H SER 72 HN SER 72 -12.757 0.428 -0.412 532 HA SER 72 HA SER 72 -14.162 -1.589 0.978 533 1HB SER 72 HB1 SER 72 -14.780 0.885 -0.118 534 2HB SER 72 HB2 SER 72 -15.720 -0.246 -1.092 535 HG SER 72 HG SER 72 -16.718 -0.989 0.746 536 H GLY 73 HN GLY 73 -12.663 -1.606 -2.031 537 1HA GLY 73 HA2 GLY 73 -13.872 -4.180 -2.674 538 2HA GLY 73 HA1 GLY 73 -14.063 -2.909 -3.872 539 H ILE 74 HN ILE 74 -11.239 -3.035 -1.905 540 HA ILE 74 HA ILE 74 -9.513 -3.191 -4.165 541 HB ILE 74 HB ILE 74 -9.173 -2.018 -1.861 542 1HG1 ILE 74 HG12 ILE 74 -6.678 -3.382 -2.742 543 2HG1 ILE 74 HG11 ILE 74 -7.555 -2.429 -3.937 544 1HG2 ILE 74 HG21 ILE 74 -9.329 -4.409 -0.783 545 2HG2 ILE 74 HG22 ILE 74 -8.277 -3.164 -0.110 546 3HG2 ILE 74 HG23 ILE 74 -7.601 -4.429 -1.136 547 1HD1 ILE 74 HD11 ILE 74 -7.076 -1.140 -1.328 548 2HD1 ILE 74 HD12 ILE 74 -7.025 -0.468 -2.958 549 3HD1 ILE 74 HD13 ILE 74 -5.666 -1.414 -2.351 550 H GLU 75 HN GLU 75 -7.405 -4.792 -3.221 551 HA GLU 75 HA GLU 75 -7.962 -7.280 -4.281 552 1HB GLU 75 HB1 GLU 75 -5.897 -7.994 -2.901 553 2HB GLU 75 HB2 GLU 75 -5.694 -6.714 -4.091 554 1HG GLU 75 HG1 GLU 75 -6.430 -5.664 -1.503 555 2HG GLU 75 HG2 GLU 75 -4.958 -6.631 -1.434 556 H GLY 76 HN GLY 76 -9.776 -8.284 -3.540 557 1HA GLY 76 HA1 GLY 76 -10.614 -8.456 -0.876 558 2HA GLY 76 HA2 GLY 76 -11.137 -9.519 -2.171 559 H VAL 77 HN VAL 77 -8.397 -10.492 -2.671 560 HA VAL 77 HA VAL 77 -8.382 -12.540 -0.613 561 HB VAL 77 HB VAL 77 -6.456 -12.297 -2.916 562 1HG1 VAL 77 HG21 VAL 77 -5.726 -13.909 -1.343 563 2HG1 VAL 77 HG22 VAL 77 -6.481 -14.813 -2.657 564 3HG1 VAL 77 HG23 VAL 77 -7.354 -14.559 -1.145 565 1HG2 VAL 77 HG11 VAL 77 -7.921 -13.453 -4.331 566 2HG2 VAL 77 HG12 VAL 77 -8.922 -12.216 -3.570 567 3HG2 VAL 77 HG13 VAL 77 -9.002 -13.884 -3.005 568 H SER 78 HN SER 78 -6.434 -9.846 -1.674 569 HA SER 78 HA SER 78 -4.393 -10.444 0.312 570 1HB SER 78 HB1 SER 78 -3.430 -9.770 -1.757 571 2HB SER 78 HB2 SER 78 -4.573 -8.439 -1.938 572 HG SER 78 HG SER 78 -2.178 -8.445 -0.742 573 H ASN 79 HN ASN 79 -5.425 -9.987 2.266 574 HA ASN 79 HA ASN 79 -6.735 -7.441 2.656 575 1HB ASN 79 HB2 ASN 79 -7.114 -9.682 3.999 576 2HB ASN 79 HB1 ASN 79 -5.787 -9.065 4.980 577 1HD2 ASN 79 HD21 ASN 79 -6.309 -6.319 4.981 578 2HD2 ASN 79 HD22 ASN 79 -7.814 -6.040 5.779 579 H ILE 80 HN ILE 80 -5.850 -5.635 3.314 580 HA ILE 80 HA ILE 80 -2.961 -5.628 3.589 581 HB ILE 80 HB ILE 80 -4.826 -3.292 3.264 582 1HG1 ILE 80 HG11 ILE 80 -3.627 -3.675 0.823 583 2HG1 ILE 80 HG12 ILE 80 -3.947 -5.326 1.344 584 1HG2 ILE 80 HG21 ILE 80 -3.018 -2.035 3.348 585 2HG2 ILE 80 HG22 ILE 80 -2.239 -2.998 2.094 586 3HG2 ILE 80 HG23 ILE 80 -2.088 -3.467 3.786 587 1HD1 ILE 80 HD11 ILE 80 -6.259 -3.754 1.851 588 2HD1 ILE 80 HD12 ILE 80 -6.060 -5.117 0.750 589 3HD1 ILE 80 HD13 ILE 80 -5.729 -3.478 0.191 590 H GLU 81 HN GLU 81 -1.869 -4.506 5.163 591 HA GLU 81 HA GLU 81 -3.247 -4.167 7.705 592 1HB GLU 81 HB2 GLU 81 -1.036 -5.312 7.674 593 2HB GLU 81 HB1 GLU 81 -0.311 -3.855 7.011 594 1HG GLU 81 HG2 GLU 81 -1.160 -2.672 9.092 595 2HG GLU 81 HG1 GLU 81 -1.464 -4.282 9.745 596 H VAL 82 HN VAL 82 -4.487 -2.523 6.542 597 HA VAL 82 HA VAL 82 -3.198 -0.114 5.696 598 HB VAL 82 HB VAL 82 -6.136 -0.746 6.077 599 1HG1 VAL 82 HG21 VAL 82 -5.742 1.173 4.054 600 2HG1 VAL 82 HG22 VAL 82 -4.751 1.695 5.417 601 3HG1 VAL 82 HG23 VAL 82 -6.481 1.424 5.635 602 1HG2 VAL 82 HG11 VAL 82 -5.507 -2.240 4.462 603 2HG2 VAL 82 HG12 VAL 82 -4.227 -1.196 3.836 604 3HG2 VAL 82 HG13 VAL 82 -5.915 -0.830 3.480 605 H THR 83 HN THR 83 -2.299 -0.308 8.114 606 HA THR 83 HA THR 83 -3.788 1.706 9.633 607 HB THR 83 HB THR 83 -2.329 -0.498 11.059 608 HG1 THR 83 HG1 THR 83 -4.596 -0.762 9.612 609 1HG2 THR 83 HG21 THR 83 -4.253 1.614 11.793 610 2HG2 THR 83 HG22 THR 83 -2.894 0.944 12.695 611 3HG2 THR 83 HG23 THR 83 -4.415 0.055 12.602 612 H ASP 84 HN ASP 84 -1.010 1.064 8.014 613 HA ASP 84 HA ASP 84 0.823 2.134 10.001 614 1HB ASP 84 HB1 ASP 84 1.428 0.284 8.377 615 2HB ASP 84 HB2 ASP 84 1.424 1.508 7.114 616 H VAL 85 HN VAL 85 1.613 4.158 10.039 617 HA VAL 85 HA VAL 85 1.089 5.973 7.824 618 HB VAL 85 HB VAL 85 -0.872 5.997 9.461 619 1HG1 VAL 85 HG11 VAL 85 1.299 7.121 11.176 620 2HG1 VAL 85 HG12 VAL 85 0.024 5.974 11.587 621 3HG1 VAL 85 HG13 VAL 85 -0.361 7.683 11.372 622 1HG2 VAL 85 HG21 VAL 85 -0.080 8.759 9.486 623 2HG2 VAL 85 HG22 VAL 85 -1.313 7.955 8.513 624 3HG2 VAL 85 HG23 VAL 85 0.359 8.003 7.954 625 H ARG 86 HN ARG 86 2.219 8.005 8.011 626 HA ARG 86 HA ARG 86 4.325 8.171 10.025 627 1HB ARG 86 HB1 ARG 86 5.098 8.517 7.144 628 2HB ARG 86 HB2 ARG 86 6.127 8.207 8.533 629 1HG ARG 86 HG1 ARG 86 4.310 6.020 8.131 630 2HG ARG 86 HG2 ARG 86 5.204 6.369 6.652 631 1HD ARG 86 HD2 ARG 86 7.306 6.295 7.938 632 2HD ARG 86 HD1 ARG 86 6.385 5.860 9.379 633 HE ARG 86 HE ARG 86 6.612 4.176 6.969 634 1HH1 ARG 86 HH22 ARG 86 6.160 4.569 10.402 635 2HH1 ARG 86 HH21 ARG 86 6.134 2.868 10.724 636 1HH2 ARG 86 HH11 ARG 86 6.579 1.935 7.383 637 2HH2 ARG 86 HH12 ARG 86 6.374 1.370 9.007 638 H ARG 87 HN ARG 87 2.998 9.978 10.684 639 HA ARG 87 HA ARG 87 2.598 12.172 8.868 640 1HB ARG 87 HB1 ARG 87 2.085 11.795 11.813 641 2HB ARG 87 HB2 ARG 87 1.812 13.333 11.006 642 1HG ARG 87 HG1 ARG 87 0.559 11.215 9.532 643 2HG ARG 87 HG2 ARG 87 0.049 11.172 11.221 644 1HD ARG 87 HD2 ARG 87 0.072 13.881 10.360 645 2HD ARG 87 HD1 ARG 87 -0.799 12.927 9.160 646 HE ARG 87 HE ARG 87 -1.961 12.052 11.355 647 1HH1 ARG 87 HH11 ARG 87 -1.073 15.312 10.501 648 2HH1 ARG 87 HH12 ARG 87 -2.354 16.037 11.415 649 1HH2 ARG 87 HH22 ARG 87 -3.649 12.999 12.560 650 2HH2 ARG 87 HH21 ARG 87 -3.817 14.722 12.585 651 H LEU 88 HN LEU 88 4.898 12.459 8.303 652 HA LEU 88 HA LEU 88 6.633 13.537 10.358 653 1HB LEU 88 HB1 LEU 88 7.621 14.041 7.712 654 2HB LEU 88 HB2 LEU 88 8.298 13.044 8.980 655 HG LEU 88 HG LEU 88 6.200 12.110 7.025 656 1HD1 LEU 88 HD11 LEU 88 7.833 11.270 5.667 657 2HD1 LEU 88 HD12 LEU 88 9.017 11.163 6.970 658 3HD1 LEU 88 HD13 LEU 88 8.643 12.727 6.247 659 1HD2 LEU 88 HD21 LEU 88 6.870 11.087 9.481 660 2HD2 LEU 88 HD22 LEU 88 7.879 10.151 8.374 661 3HD2 LEU 88 HD23 LEU 88 6.128 10.191 8.150 662 H MET 89 HN MET 89 5.650 15.410 11.061 663 HA MET 89 HA MET 89 5.027 17.486 9.112 664 1HB MET 89 HB2 MET 89 4.772 17.817 12.085 665 2HB MET 89 HB1 MET 89 3.840 18.581 10.804 666 1HG MET 89 HG2 MET 89 3.400 15.815 10.569 667 2HG MET 89 HG1 MET 89 3.277 16.205 12.284 668 1HE MET 89 HE1 MET 89 2.309 16.676 8.831 669 2HE MET 89 HE2 MET 89 1.518 18.252 8.848 670 3HE MET 89 HE3 MET 89 0.550 16.779 8.917 Start of MODEL 5 1 1H MET 1 HT1 MET 1 11.119 16.281 5.848 2 2H MET 1 HT2 MET 1 10.343 14.903 6.514 3 3H MET 1 HT3 MET 1 12.055 15.022 6.544 4 HA MET 1 HA MET 1 10.933 15.474 8.665 5 1HB MET 1 HB1 MET 1 12.211 17.896 8.624 6 2HB MET 1 HB2 MET 1 13.008 16.344 8.838 7 1HG MET 1 HG2 MET 1 12.770 16.663 6.081 8 2HG MET 1 HG1 MET 1 13.237 18.249 6.695 9 1HE MET 1 HE1 MET 1 14.458 15.444 5.051 10 2HE MET 1 HE2 MET 1 14.357 14.396 6.466 11 3HE MET 1 HE3 MET 1 15.932 14.856 5.820 12 H GLY 2 HN GLY 2 8.973 16.199 6.528 13 1HA GLY 2 HA2 GLY 2 7.388 17.993 8.062 14 2HA GLY 2 HA1 GLY 2 8.069 18.817 6.664 15 H ASP 3 HN ASP 3 7.876 15.774 5.669 16 HA ASP 3 HA ASP 3 5.340 16.233 4.290 17 1HB ASP 3 HB1 ASP 3 7.378 14.060 3.772 18 2HB ASP 3 HB2 ASP 3 6.056 14.553 2.719 19 H VAL 4 HN VAL 4 3.697 14.668 4.207 20 HA VAL 4 HA VAL 4 3.628 12.896 6.542 21 HB VAL 4 HB VAL 4 1.239 13.283 4.807 22 1HG1 VAL 4 HG21 VAL 4 0.425 13.491 7.371 23 2HG1 VAL 4 HG22 VAL 4 1.873 12.504 7.571 24 3HG1 VAL 4 HG23 VAL 4 0.578 11.962 6.506 25 1HG2 VAL 4 HG11 VAL 4 2.213 15.548 5.094 26 2HG2 VAL 4 HG12 VAL 4 2.107 15.332 6.841 27 3HG2 VAL 4 HG13 VAL 4 0.638 15.358 5.863 28 H VAL 5 HN VAL 5 4.195 10.838 6.202 29 HA VAL 5 HA VAL 5 3.727 9.674 3.536 30 HB VAL 5 HB VAL 5 5.744 8.973 5.668 31 1HG1 VAL 5 HG11 VAL 5 5.262 6.857 4.910 32 2HG1 VAL 5 HG12 VAL 5 6.516 7.346 3.771 33 3HG1 VAL 5 HG13 VAL 5 4.819 7.419 3.296 34 1HG2 VAL 5 HG21 VAL 5 6.299 10.890 4.256 35 2HG2 VAL 5 HG22 VAL 5 6.069 9.898 2.816 36 3HG2 VAL 5 HG23 VAL 5 7.375 9.528 3.942 37 H ALA 6 HN ALA 6 2.127 8.233 3.370 38 HA ALA 6 HA ALA 6 1.177 6.853 5.787 39 1HB ALA 6 HB1 ALA 6 -0.568 6.183 3.766 40 2HB ALA 6 HB2 ALA 6 -0.120 7.843 3.372 41 3HB ALA 6 HB3 ALA 6 -0.806 7.465 4.953 42 H THR 7 HN THR 7 0.481 4.494 5.384 43 HA THR 7 HA THR 7 2.105 3.202 3.339 44 HB THR 7 HB THR 7 2.296 2.323 6.209 45 HG1 THR 7 HG1 THR 7 4.608 3.147 5.512 46 1HG2 THR 7 HG21 THR 7 3.730 1.489 3.711 47 2HG2 THR 7 HG22 THR 7 2.764 0.495 4.807 48 3HG2 THR 7 HG23 THR 7 4.321 1.135 5.337 49 H ILE 8 HN ILE 8 1.308 1.443 2.506 50 HA ILE 8 HA ILE 8 -1.102 0.216 3.683 51 HB ILE 8 HB ILE 8 -0.586 0.482 0.726 52 1HG1 ILE 8 HG12 ILE 8 -0.630 2.733 1.943 53 2HG1 ILE 8 HG11 ILE 8 -1.775 2.525 0.623 54 1HG2 ILE 8 HG21 ILE 8 -3.260 0.519 1.058 55 2HG2 ILE 8 HG22 ILE 8 -2.768 -0.479 2.429 56 3HG2 ILE 8 HG23 ILE 8 -2.306 -0.942 0.789 57 1HD1 ILE 8 HD11 ILE 8 -3.559 2.698 1.973 58 2HD1 ILE 8 HD12 ILE 8 -2.416 3.509 3.044 59 3HD1 ILE 8 HD13 ILE 8 -2.789 1.802 3.284 60 H LYS 9 HN LYS 9 -0.440 -1.780 4.366 61 HA LYS 9 HA LYS 9 1.611 -3.215 2.846 62 1HB LYS 9 HB1 LYS 9 0.622 -4.472 5.296 63 2HB LYS 9 HB2 LYS 9 2.268 -4.170 4.761 64 1HG LYS 9 HG2 LYS 9 0.825 -1.754 5.550 65 2HG LYS 9 HG1 LYS 9 1.015 -2.931 6.842 66 1HD LYS 9 HD2 LYS 9 3.322 -2.079 5.128 67 2HD LYS 9 HD1 LYS 9 2.845 -1.185 6.573 68 1HE LYS 9 HE2 LYS 9 3.462 -4.131 6.574 69 2HE LYS 9 HE1 LYS 9 4.666 -2.887 6.909 70 1HZ LYS 9 HZ1 LYS 9 3.638 -3.847 8.920 71 2HZ LYS 9 HZ2 LYS 9 2.143 -3.221 8.437 72 3HZ LYS 9 HZ3 LYS 9 3.421 -2.173 8.803 73 H VAL 10 HN VAL 10 0.538 -4.133 1.140 74 HA VAL 10 HA VAL 10 -1.849 -5.710 1.654 75 HB VAL 10 HB VAL 10 -2.445 -5.317 -0.456 76 1HG1 VAL 10 HG21 VAL 10 -1.940 -3.207 -0.930 77 2HG1 VAL 10 HG22 VAL 10 -0.271 -3.620 -1.315 78 3HG1 VAL 10 HG23 VAL 10 -0.731 -3.281 0.354 79 1HG2 VAL 10 HG11 VAL 10 0.299 -5.727 -1.597 80 2HG2 VAL 10 HG12 VAL 10 -1.268 -5.919 -2.383 81 3HG2 VAL 10 HG13 VAL 10 -0.745 -7.081 -1.165 82 H MET 11 HN MET 11 -2.005 -7.882 1.638 83 HA MET 11 HA MET 11 0.178 -9.480 0.584 84 1HB MET 11 HB2 MET 11 0.921 -10.433 2.513 85 2HB MET 11 HB1 MET 11 0.412 -8.887 3.172 86 1HG MET 11 HG1 MET 11 -1.322 -9.773 4.317 87 2HG MET 11 HG2 MET 11 -1.614 -11.035 3.123 88 1HE MET 11 HE1 MET 11 -0.524 -13.086 2.863 89 2HE MET 11 HE2 MET 11 -1.374 -13.587 4.326 90 3HE MET 11 HE3 MET 11 0.333 -13.979 4.119 91 HA PRO 12 HA PRO 12 -3.427 -11.808 -0.661 92 1HB PRO 12 HB1 PRO 12 -1.486 -13.698 -1.793 93 2HB PRO 12 HB2 PRO 12 -2.665 -12.675 -2.620 94 1HG PRO 12 HG1 PRO 12 -0.021 -12.204 -2.765 95 2HG PRO 12 HG2 PRO 12 -1.211 -10.891 -2.759 96 1HD PRO 12 HD2 PRO 12 0.458 -11.941 -0.493 97 2HD PRO 12 HD1 PRO 12 0.148 -10.256 -0.971 98 H GLU 13 HN GLU 13 -4.512 -13.124 0.649 99 HA GLU 13 HA GLU 13 -3.404 -14.592 2.745 100 1HB GLU 13 HB1 GLU 13 -6.052 -14.456 1.419 101 2HB GLU 13 HB2 GLU 13 -5.735 -15.894 2.380 102 1HG GLU 13 HG2 GLU 13 -5.153 -14.410 4.289 103 2HG GLU 13 HG1 GLU 13 -5.665 -13.036 3.311 104 H SER 14 HN SER 14 -4.003 -15.477 -0.582 105 HA SER 14 HA SER 14 -3.587 -18.289 -0.160 106 1HB SER 14 HB2 SER 14 -4.547 -16.643 -2.272 107 2HB SER 14 HB1 SER 14 -3.176 -17.558 -2.899 108 HG SER 14 HG SER 14 -4.403 -19.369 -1.681 109 HA PRO 15 HA PRO 15 0.807 -18.445 -0.408 110 1HB PRO 15 HB2 PRO 15 1.212 -20.812 -1.680 111 2HB PRO 15 HB1 PRO 15 0.669 -20.703 -0.002 112 1HG PRO 15 HG2 PRO 15 -0.934 -21.175 -2.489 113 2HG PRO 15 HG1 PRO 15 -1.052 -21.981 -0.913 114 1HD PRO 15 HD2 PRO 15 -2.758 -20.023 -1.670 115 2HD PRO 15 HD1 PRO 15 -2.265 -20.253 0.020 116 H ASP 16 HN ASP 16 -1.104 -18.004 -3.083 117 HA ASP 16 HA ASP 16 1.076 -18.030 -5.025 118 1HB ASP 16 HB2 ASP 16 -1.708 -18.496 -5.208 119 2HB ASP 16 HB1 ASP 16 -1.394 -17.002 -6.086 120 H VAL 17 HN VAL 17 1.457 -16.254 -3.018 121 HA VAL 17 HA VAL 17 0.412 -13.682 -3.405 122 HB VAL 17 HB VAL 17 3.031 -14.520 -2.151 123 1HG1 VAL 17 HG21 VAL 17 1.816 -11.863 -2.551 124 2HG1 VAL 17 HG22 VAL 17 3.501 -12.317 -2.297 125 3HG1 VAL 17 HG23 VAL 17 2.404 -12.199 -0.920 126 1HG2 VAL 17 HG11 VAL 17 1.846 -15.146 -0.384 127 2HG2 VAL 17 HG12 VAL 17 0.378 -14.892 -1.328 128 3HG2 VAL 17 HG13 VAL 17 1.022 -13.587 -0.330 129 H ASP 18 HN ASP 18 0.559 -13.513 -5.779 130 HA ASP 18 HA ASP 18 3.113 -13.239 -7.052 131 1HB ASP 18 HB2 ASP 18 1.538 -12.030 -8.806 132 2HB ASP 18 HB1 ASP 18 1.529 -13.781 -8.628 133 H LEU 19 HN LEU 19 4.265 -11.724 -5.857 134 HA LEU 19 HA LEU 19 3.226 -9.244 -5.038 135 1HB LEU 19 HB2 LEU 19 5.396 -8.656 -4.350 136 2HB LEU 19 HB1 LEU 19 5.236 -10.375 -4.072 137 HG LEU 19 HG LEU 19 7.412 -10.099 -4.870 138 1HD1 LEU 19 HD21 LEU 19 6.423 -10.684 -7.554 139 2HD1 LEU 19 HD22 LEU 19 5.675 -11.641 -6.277 140 3HD1 LEU 19 HD23 LEU 19 7.426 -11.649 -6.471 141 1HD2 LEU 19 HD11 LEU 19 7.110 -8.805 -7.394 142 2HD2 LEU 19 HD12 LEU 19 8.077 -8.324 -6.000 143 3HD2 LEU 19 HD13 LEU 19 6.397 -7.802 -6.130 144 H GLU 20 HN GLU 20 4.925 -10.211 -7.973 145 HA GLU 20 HA GLU 20 5.256 -7.574 -8.965 146 1HB GLU 20 HB1 GLU 20 6.674 -9.196 -9.891 147 2HB GLU 20 HB2 GLU 20 5.351 -10.300 -10.231 148 1HG GLU 20 HG2 GLU 20 4.699 -8.093 -11.723 149 2HG GLU 20 HG1 GLU 20 6.459 -8.140 -11.839 150 H ALA 21 HN ALA 21 2.736 -9.988 -9.201 151 HA ALA 21 HA ALA 21 1.179 -8.580 -11.151 152 1HB ALA 21 HB1 ALA 21 1.052 -11.092 -10.232 153 2HB ALA 21 HB2 ALA 21 -0.319 -10.275 -10.983 154 3HB ALA 21 HB3 ALA 21 -0.193 -10.353 -9.225 155 H LEU 22 HN LEU 22 1.436 -8.676 -7.684 156 HA LEU 22 HA LEU 22 -0.799 -7.035 -7.064 157 1HB LEU 22 HB2 LEU 22 1.102 -8.500 -5.653 158 2HB LEU 22 HB1 LEU 22 1.474 -6.842 -5.237 159 HG LEU 22 HG LEU 22 -0.136 -6.843 -3.713 160 1HD1 LEU 22 HD21 LEU 22 -2.121 -7.833 -5.750 161 2HD1 LEU 22 HD22 LEU 22 -1.655 -6.142 -5.559 162 3HD1 LEU 22 HD23 LEU 22 -2.464 -6.989 -4.240 163 1HD2 LEU 22 HD11 LEU 22 0.376 -9.109 -3.300 164 2HD2 LEU 22 HD12 LEU 22 -0.590 -9.649 -4.674 165 3HD2 LEU 22 HD13 LEU 22 -1.382 -8.962 -3.255 166 H LYS 23 HN LYS 23 2.463 -6.481 -8.052 167 HA LYS 23 HA LYS 23 2.899 -3.861 -7.241 168 1HB LYS 23 HB2 LYS 23 4.045 -5.730 -9.143 169 2HB LYS 23 HB1 LYS 23 4.069 -4.092 -9.777 170 1HG LYS 23 HG2 LYS 23 5.949 -3.812 -8.638 171 2HG LYS 23 HG1 LYS 23 4.965 -3.811 -7.173 172 1HD LYS 23 HD2 LYS 23 5.371 -6.083 -6.769 173 2HD LYS 23 HD1 LYS 23 5.996 -6.341 -8.400 174 1HE LYS 23 HE2 LYS 23 7.962 -6.227 -7.245 175 2HE LYS 23 HE1 LYS 23 7.750 -4.524 -7.642 176 1HZ LYS 23 HZ1 LYS 23 7.144 -5.858 -5.063 177 2HZ LYS 23 HZ2 LYS 23 6.671 -4.274 -5.427 178 3HZ LYS 23 HZ3 LYS 23 8.313 -4.672 -5.357 179 H LYS 24 HN LYS 24 1.394 -5.104 -10.202 180 HA LYS 24 HA LYS 24 0.895 -2.566 -11.355 181 1HB LYS 24 HB1 LYS 24 -0.890 -4.895 -11.926 182 2HB LYS 24 HB2 LYS 24 -0.223 -3.703 -13.032 183 1HG LYS 24 HG1 LYS 24 2.050 -4.843 -12.412 184 2HG LYS 24 HG2 LYS 24 1.006 -6.192 -11.959 185 1HD LYS 24 HD1 LYS 24 0.602 -4.874 -14.603 186 2HD LYS 24 HD2 LYS 24 1.957 -5.986 -14.399 187 1HE LYS 24 HE2 LYS 24 0.132 -7.548 -13.364 188 2HE LYS 24 HE1 LYS 24 -0.976 -6.524 -14.276 189 1HZ LYS 24 HZ1 LYS 24 1.243 -8.173 -15.346 190 2HZ LYS 24 HZ2 LYS 24 0.417 -7.020 -16.267 191 3HZ LYS 24 HZ3 LYS 24 -0.413 -8.353 -15.641 192 H GLU 25 HN GLU 25 -1.033 -4.740 -9.331 193 HA GLU 25 HA GLU 25 -3.413 -3.188 -9.426 194 1HB GLU 25 HB1 GLU 25 -2.631 -4.985 -7.138 195 2HB GLU 25 HB2 GLU 25 -4.244 -4.615 -7.732 196 1HG GLU 25 HG2 GLU 25 -2.546 -5.853 -9.744 197 2HG GLU 25 HG1 GLU 25 -2.782 -6.858 -8.315 198 H ILE 26 HN ILE 26 -0.516 -3.043 -7.553 199 HA ILE 26 HA ILE 26 -1.415 -1.535 -5.367 200 HB ILE 26 HB ILE 26 1.240 -2.026 -6.631 201 1HG1 ILE 26 HG11 ILE 26 0.671 -2.126 -3.705 202 2HG1 ILE 26 HG12 ILE 26 -0.095 -3.331 -4.735 203 1HG2 ILE 26 HG21 ILE 26 0.549 0.376 -5.080 204 2HG2 ILE 26 HG22 ILE 26 1.889 0.083 -6.189 205 3HG2 ILE 26 HG23 ILE 26 1.979 -0.497 -4.526 206 1HD1 ILE 26 HD11 ILE 26 2.019 -4.101 -3.752 207 2HD1 ILE 26 HD12 ILE 26 2.863 -2.813 -4.611 208 3HD1 ILE 26 HD13 ILE 26 2.049 -4.089 -5.516 209 H GLN 27 HN GLN 27 -0.085 -0.561 -8.503 210 HA GLN 27 HA GLN 27 -0.027 2.208 -7.994 211 1HB GLN 27 HB1 GLN 27 -0.220 0.650 -10.576 212 2HB GLN 27 HB2 GLN 27 -0.015 2.395 -10.512 213 1HG GLN 27 HG1 GLN 27 1.915 0.868 -8.919 214 2HG GLN 27 HG2 GLN 27 2.008 0.608 -10.659 215 1HE2 GLN 27 HE21 GLN 27 3.852 1.951 -8.796 216 2HE2 GLN 27 HE22 GLN 27 4.082 3.538 -9.438 217 H GLU 28 HN GLU 28 -2.543 0.073 -9.249 218 HA GLU 28 HA GLU 28 -4.286 2.258 -9.946 219 1HB GLU 28 HB2 GLU 28 -5.884 0.582 -10.566 220 2HB GLU 28 HB1 GLU 28 -4.297 0.131 -11.166 221 1HG GLU 28 HG2 GLU 28 -4.669 -1.845 -10.288 222 2HG GLU 28 HG1 GLU 28 -4.384 -1.090 -8.726 223 H ARG 29 HN ARG 29 -3.613 0.444 -7.134 224 HA ARG 29 HA ARG 29 -6.174 1.035 -5.902 225 1HB ARG 29 HB2 ARG 29 -5.622 -0.464 -4.245 226 2HB ARG 29 HB1 ARG 29 -4.742 -1.120 -5.613 227 1HG ARG 29 HG1 ARG 29 -2.789 -0.850 -4.608 228 2HG ARG 29 HG2 ARG 29 -3.166 0.802 -4.122 229 1HD ARG 29 HD1 ARG 29 -4.755 -0.993 -2.581 230 2HD ARG 29 HD2 ARG 29 -3.076 -1.525 -2.510 231 HE ARG 29 HE ARG 29 -2.514 0.466 -1.426 232 1HH1 ARG 29 HH22 ARG 29 -5.878 0.420 -2.336 233 2HH1 ARG 29 HH21 ARG 29 -6.302 1.761 -1.326 234 1HH2 ARG 29 HH12 ARG 29 -3.069 2.235 -0.095 235 2HH2 ARG 29 HH11 ARG 29 -4.707 2.791 -0.054 236 H ILE 30 HN ILE 30 -3.247 2.605 -6.319 237 HA ILE 30 HA ILE 30 -2.853 3.884 -3.846 238 HB ILE 30 HB ILE 30 -2.213 4.833 -6.635 239 1HG1 ILE 30 HG11 ILE 30 -1.090 2.754 -5.871 240 2HG1 ILE 30 HG12 ILE 30 0.037 4.074 -6.150 241 1HG2 ILE 30 HG21 ILE 30 -1.372 6.752 -5.858 242 2HG2 ILE 30 HG22 ILE 30 -0.637 5.969 -4.459 243 3HG2 ILE 30 HG23 ILE 30 -2.337 6.443 -4.413 244 1HD1 ILE 30 HD11 ILE 30 -0.989 3.718 -3.397 245 2HD1 ILE 30 HD12 ILE 30 0.600 4.237 -3.960 246 3HD1 ILE 30 HD13 ILE 30 0.161 2.530 -4.009 247 HA PRO 31 HA PRO 31 -6.324 6.624 -3.394 248 1HB PRO 31 HB2 PRO 31 -4.873 8.738 -2.278 249 2HB PRO 31 HB1 PRO 31 -5.630 7.418 -1.390 250 1HG PRO 31 HG2 PRO 31 -2.793 7.746 -2.247 251 2HG PRO 31 HG1 PRO 31 -3.444 7.047 -0.753 252 1HD PRO 31 HD1 PRO 31 -2.508 5.481 -2.699 253 2HD PRO 31 HD2 PRO 31 -3.957 5.025 -1.778 254 H GLU 32 HN GLU 32 -7.100 7.510 -5.197 255 HA GLU 32 HA GLU 32 -5.634 8.726 -7.228 256 1HB GLU 32 HB2 GLU 32 -8.220 7.912 -6.916 257 2HB GLU 32 HB1 GLU 32 -8.411 9.660 -6.947 258 1HG GLU 32 HG2 GLU 32 -6.747 9.297 -9.047 259 2HG GLU 32 HG1 GLU 32 -7.673 7.798 -9.090 260 H GLY 33 HN GLY 33 -6.080 9.966 -4.194 261 1HA GLY 33 HA1 GLY 33 -6.517 12.723 -4.935 262 2HA GLY 33 HA2 GLY 33 -6.188 12.115 -3.321 263 H THR 34 HN THR 34 -3.754 10.763 -3.904 264 HA THR 34 HA THR 34 -2.005 12.979 -4.731 265 HB THR 34 HB THR 34 -0.991 11.241 -2.568 266 HG1 THR 34 HG1 THR 34 -2.186 12.345 -0.990 267 1HG2 THR 34 HG21 THR 34 -0.775 14.073 -3.383 268 2HG2 THR 34 HG22 THR 34 0.469 12.941 -2.850 269 3HG2 THR 34 HG23 THR 34 -0.598 13.699 -1.668 270 H GLU 35 HN GLU 35 0.301 11.227 -3.845 271 HA GLU 35 HA GLU 35 0.179 9.185 -5.954 272 1HB GLU 35 HB1 GLU 35 2.367 11.222 -5.517 273 2HB GLU 35 HB2 GLU 35 2.573 9.780 -6.502 274 1HG GLU 35 HG1 GLU 35 0.525 10.618 -7.799 275 2HG GLU 35 HG2 GLU 35 0.827 12.158 -6.997 276 H LEU 36 HN LEU 36 1.969 7.580 -5.761 277 HA LEU 36 HA LEU 36 2.085 6.648 -3.061 278 1HB LEU 36 HB1 LEU 36 2.954 4.654 -3.910 279 2HB LEU 36 HB2 LEU 36 1.857 5.224 -5.147 280 HG LEU 36 HG LEU 36 4.872 5.360 -5.210 281 1HD1 LEU 36 HD21 LEU 36 4.275 3.179 -5.746 282 2HD1 LEU 36 HD22 LEU 36 4.381 3.965 -7.321 283 3HD1 LEU 36 HD23 LEU 36 2.803 3.680 -6.582 284 1HD2 LEU 36 HD11 LEU 36 2.847 6.417 -7.177 285 2HD2 LEU 36 HD12 LEU 36 4.569 6.239 -7.506 286 3HD2 LEU 36 HD13 LEU 36 4.022 7.354 -6.255 287 H HIS 37 HN HIS 37 4.434 5.509 -2.614 288 HA HIS 37 HA HIS 37 6.443 7.656 -2.747 289 1HB HIS 37 HB1 HIS 37 5.409 7.699 -0.544 290 2HB HIS 37 HB2 HIS 37 5.679 5.977 -0.352 291 HD2 HIS 37 HD2 HIS 37 7.985 5.298 0.836 292 HE1 HIS 37 HE1 HIS 37 9.853 9.087 0.547 293 HE2 HIS 37 HE2 HIS 37 10.048 6.735 1.478 294 H LYS 38 HN LYS 38 6.427 4.518 -1.169 295 HA LYS 38 HA LYS 38 8.089 3.243 -3.127 296 1HB LYS 38 HB2 LYS 38 10.052 3.983 -2.336 297 2HB LYS 38 HB1 LYS 38 9.285 4.735 -0.949 298 1HG LYS 38 HG2 LYS 38 10.731 3.252 0.042 299 2HG LYS 38 HG1 LYS 38 9.227 2.330 0.013 300 1HD LYS 38 HD1 LYS 38 9.948 0.980 -1.745 301 2HD LYS 38 HD2 LYS 38 11.199 2.123 -2.235 302 1HE LYS 38 HE2 LYS 38 12.358 1.645 -0.066 303 2HE LYS 38 HE1 LYS 38 11.183 0.360 0.207 304 1HZ LYS 38 HZ1 LYS 38 12.225 -0.984 -1.214 305 2HZ LYS 38 HZ2 LYS 38 13.537 0.077 -1.092 306 3HZ LYS 38 HZ3 LYS 38 12.442 0.229 -2.373 307 H ILE 39 HN ILE 39 7.833 1.085 -2.997 308 HA ILE 39 HA ILE 39 6.137 0.089 -0.862 309 HB ILE 39 HB ILE 39 7.047 -1.512 -3.224 310 1HG1 ILE 39 HG11 ILE 39 4.937 0.642 -3.078 311 2HG1 ILE 39 HG12 ILE 39 6.244 0.480 -4.244 312 1HG2 ILE 39 HG21 ILE 39 4.666 -1.550 -1.383 313 2HG2 ILE 39 HG22 ILE 39 5.899 -2.795 -1.593 314 3HG2 ILE 39 HG23 ILE 39 4.738 -2.479 -2.882 315 1HD1 ILE 39 HD11 ILE 39 4.918 -1.791 -4.738 316 2HD1 ILE 39 HD12 ILE 39 4.584 -0.264 -5.554 317 3HD1 ILE 39 HD13 ILE 39 3.588 -0.771 -4.188 318 H ASP 40 HN ASP 40 6.518 -1.994 0.135 319 HA ASP 40 HA ASP 40 9.379 -2.639 0.427 320 1HB ASP 40 HB1 ASP 40 7.811 -1.470 2.354 321 2HB ASP 40 HB2 ASP 40 7.673 -3.180 2.754 322 H GLU 41 HN GLU 41 9.771 -4.650 -0.258 323 HA GLU 41 HA GLU 41 7.648 -6.613 -0.400 324 1HB GLU 41 HB1 GLU 41 10.574 -7.101 -0.957 325 2HB GLU 41 HB2 GLU 41 9.188 -7.979 -1.590 326 1HG GLU 41 HG1 GLU 41 8.903 -6.548 -3.277 327 2HG GLU 41 HG2 GLU 41 9.175 -5.138 -2.253 328 H GLU 42 HN GLU 42 7.387 -6.460 2.013 329 HA GLU 42 HA GLU 42 9.387 -7.973 3.520 330 1HB GLU 42 HB1 GLU 42 7.458 -5.894 4.160 331 2HB GLU 42 HB2 GLU 42 7.349 -7.251 5.272 332 1HG GLU 42 HG2 GLU 42 10.041 -6.869 5.122 333 2HG GLU 42 HG1 GLU 42 9.425 -5.220 4.975 334 HA PRO 43 HA PRO 43 6.707 -11.496 3.365 335 1HB PRO 43 HB1 PRO 43 8.161 -13.169 4.895 336 2HB PRO 43 HB2 PRO 43 8.667 -12.690 3.271 337 1HG PRO 43 HG2 PRO 43 9.692 -11.816 5.915 338 2HG PRO 43 HG1 PRO 43 10.538 -11.940 4.366 339 1HD PRO 43 HD1 PRO 43 9.504 -9.593 5.553 340 2HD PRO 43 HD2 PRO 43 10.130 -9.759 3.904 341 H ILE 44 HN ILE 44 5.314 -12.743 4.633 342 HA ILE 44 HA ILE 44 4.892 -11.732 7.368 343 HB ILE 44 HB ILE 44 2.599 -12.638 5.683 344 1HG1 ILE 44 HG12 ILE 44 3.869 -11.011 4.303 345 2HG1 ILE 44 HG11 ILE 44 2.293 -10.393 4.783 346 1HG2 ILE 44 HG21 ILE 44 3.004 -11.374 8.235 347 2HG2 ILE 44 HG22 ILE 44 1.535 -12.064 7.545 348 3HG2 ILE 44 HG23 ILE 44 1.961 -10.385 7.212 349 1HD1 ILE 44 HD11 ILE 44 3.383 -8.559 5.413 350 2HD1 ILE 44 HD12 ILE 44 4.951 -9.365 5.329 351 3HD1 ILE 44 HD13 ILE 44 3.963 -9.503 6.786 352 H ALA 45 HN ALA 45 3.093 -14.180 5.580 353 HA ALA 45 HA ALA 45 3.128 -16.009 7.746 354 1HB ALA 45 HB1 ALA 45 1.512 -15.710 5.652 355 2HB ALA 45 HB2 ALA 45 1.652 -17.232 6.531 356 3HB ALA 45 HB3 ALA 45 2.533 -17.001 5.020 357 H PHE 46 HN PHE 46 3.510 -18.393 5.982 358 HA PHE 46 HA PHE 46 6.249 -18.862 6.586 359 1HB PHE 46 HB2 PHE 46 5.859 -21.023 5.349 360 2HB PHE 46 HB1 PHE 46 4.735 -20.717 6.668 361 HD1 PHE 46 HD1 PHE 46 2.408 -20.257 6.248 362 HD2 PHE 46 HD2 PHE 46 5.117 -20.962 3.044 363 HE1 PHE 46 HE1 PHE 46 0.508 -20.573 4.718 364 HE2 PHE 46 HE2 PHE 46 3.222 -21.280 1.507 365 HZ PHE 46 HZ PHE 46 0.913 -21.085 2.344 366 H GLY 47 HN GLY 47 4.476 -17.987 3.696 367 1HA GLY 47 HA1 GLY 47 6.996 -17.301 2.392 368 2HA GLY 47 HA2 GLY 47 6.001 -18.502 1.585 369 H LEU 48 HN LEU 48 4.077 -16.308 3.249 370 HA LEU 48 HA LEU 48 3.324 -15.027 0.745 371 1HB LEU 48 HB2 LEU 48 1.974 -14.589 3.389 372 2HB LEU 48 HB1 LEU 48 1.303 -14.418 1.780 373 HG LEU 48 HG LEU 48 1.773 -16.917 3.369 374 1HD1 LEU 48 HD11 LEU 48 -0.439 -16.905 3.517 375 2HD1 LEU 48 HD12 LEU 48 -0.594 -16.844 1.760 376 3HD1 LEU 48 HD13 LEU 48 -0.459 -15.349 2.687 377 1HD2 LEU 48 HD21 LEU 48 1.680 -16.664 0.384 378 2HD2 LEU 48 HD22 LEU 48 1.119 -18.121 1.204 379 3HD2 LEU 48 HD23 LEU 48 2.793 -17.597 1.385 380 H VAL 49 HN VAL 49 4.670 -13.397 0.266 381 HA VAL 49 HA VAL 49 5.546 -11.565 2.339 382 HB VAL 49 HB VAL 49 6.262 -11.762 -0.585 383 1HG1 VAL 49 HG21 VAL 49 6.500 -9.517 1.104 384 2HG1 VAL 49 HG22 VAL 49 7.196 -9.750 -0.500 385 3HG1 VAL 49 HG23 VAL 49 8.116 -10.203 0.934 386 1HG2 VAL 49 HG11 VAL 49 8.523 -12.132 0.969 387 2HG2 VAL 49 HG12 VAL 49 7.599 -13.386 0.143 388 3HG2 VAL 49 HG13 VAL 49 7.258 -13.008 1.832 389 H ALA 50 HN ALA 50 4.673 -9.668 2.738 390 HA ALA 50 HA ALA 50 2.619 -8.608 0.959 391 1HB ALA 50 HB1 ALA 50 2.211 -8.849 3.413 392 2HB ALA 50 HB2 ALA 50 1.959 -7.217 2.789 393 3HB ALA 50 HB3 ALA 50 3.432 -7.605 3.681 394 H LEU 51 HN LEU 51 2.626 -6.473 0.224 395 HA LEU 51 HA LEU 51 5.287 -5.221 0.154 396 1HB LEU 51 HB1 LEU 51 3.304 -4.410 -1.870 397 2HB LEU 51 HB2 LEU 51 5.020 -4.725 -2.038 398 HG LEU 51 HG LEU 51 2.843 -6.815 -1.923 399 1HD1 LEU 51 HD21 LEU 51 4.474 -5.672 -4.168 400 2HD1 LEU 51 HD22 LEU 51 2.719 -5.790 -4.033 401 3HD1 LEU 51 HD23 LEU 51 3.684 -7.246 -4.279 402 1HD2 LEU 51 HD11 LEU 51 5.645 -7.017 -1.405 403 2HD2 LEU 51 HD12 LEU 51 5.252 -7.890 -2.887 404 3HD2 LEU 51 HD13 LEU 51 4.411 -8.278 -1.385 405 H ASN 52 HN ASN 52 5.443 -3.491 1.358 406 HA ASN 52 HA ASN 52 3.064 -2.075 2.227 407 1HB ASN 52 HB1 ASN 52 5.900 -1.426 3.029 408 2HB ASN 52 HB2 ASN 52 4.412 -1.154 3.935 409 1HD2 ASN 52 HD22 ASN 52 6.864 -2.534 4.710 410 2HD2 ASN 52 HD21 ASN 52 6.388 -4.133 5.159 411 H VAL 53 HN VAL 53 2.411 -0.923 0.499 412 HA VAL 53 HA VAL 53 4.220 0.805 -0.933 413 HB VAL 53 HB VAL 53 1.226 0.807 -1.201 414 1HG1 VAL 53 HG21 VAL 53 1.609 2.139 -2.939 415 2HG1 VAL 53 HG22 VAL 53 2.738 0.976 -3.636 416 3HG1 VAL 53 HG23 VAL 53 3.311 2.178 -2.481 417 1HG2 VAL 53 HG11 VAL 53 1.330 -1.001 -2.759 418 2HG2 VAL 53 HG12 VAL 53 2.081 -1.531 -1.253 419 3HG2 VAL 53 HG13 VAL 53 3.088 -1.079 -2.629 420 H MET 54 HN MET 54 4.887 2.522 0.206 421 HA MET 54 HA MET 54 3.084 4.017 1.902 422 1HB MET 54 HB1 MET 54 5.944 4.605 1.097 423 2HB MET 54 HB2 MET 54 5.047 5.420 2.370 424 1HG MET 54 HG1 MET 54 5.360 3.753 3.842 425 2HG MET 54 HG2 MET 54 5.194 2.497 2.615 426 1HE MET 54 HE1 MET 54 7.801 0.877 2.769 427 2HE MET 54 HE2 MET 54 6.682 1.339 4.052 428 3HE MET 54 HE3 MET 54 8.415 1.594 4.259 429 H VAL 55 HN VAL 55 3.051 6.462 1.658 430 HA VAL 55 HA VAL 55 3.034 7.281 -1.154 431 HB VAL 55 HB VAL 55 0.828 8.096 -1.138 432 1HG1 VAL 55 HG11 VAL 55 0.855 5.432 0.263 433 2HG1 VAL 55 HG12 VAL 55 0.895 5.716 -1.479 434 3HG1 VAL 55 HG13 VAL 55 -0.548 6.127 -0.552 435 1HG2 VAL 55 HG21 VAL 55 0.644 9.159 0.965 436 2HG2 VAL 55 HG22 VAL 55 0.872 7.640 1.833 437 3HG2 VAL 55 HG23 VAL 55 -0.617 7.926 0.930 438 H VAL 56 HN VAL 56 3.557 9.381 -1.513 439 HA VAL 56 HA VAL 56 4.364 10.944 0.832 440 HB VAL 56 HB VAL 56 4.910 12.042 -1.854 441 1HG1 VAL 56 HG11 VAL 56 7.247 11.793 -0.353 442 2HG1 VAL 56 HG12 VAL 56 5.976 12.133 0.820 443 3HG1 VAL 56 HG13 VAL 56 6.242 13.230 -0.533 444 1HG2 VAL 56 HG21 VAL 56 6.610 10.524 -2.473 445 2HG2 VAL 56 HG22 VAL 56 5.190 9.542 -2.111 446 3HG2 VAL 56 HG23 VAL 56 6.501 9.662 -0.937 447 H VAL 57 HN VAL 57 2.849 12.263 1.614 448 HA VAL 57 HA VAL 57 1.283 13.863 -0.295 449 HB VAL 57 HB VAL 57 -0.699 13.702 1.046 450 1HG1 VAL 57 HG21 VAL 57 -0.520 10.915 1.162 451 2HG1 VAL 57 HG22 VAL 57 0.558 11.404 -0.146 452 3HG1 VAL 57 HG23 VAL 57 -1.135 11.893 -0.169 453 1HG2 VAL 57 HG11 VAL 57 0.715 11.813 2.911 454 2HG2 VAL 57 HG12 VAL 57 -0.880 12.545 3.097 455 3HG2 VAL 57 HG13 VAL 57 0.569 13.542 3.230 456 H GLY 58 HN GLY 58 0.762 15.968 0.360 457 1HA GLY 58 HA2 GLY 58 1.475 16.967 2.947 458 2HA GLY 58 HA1 GLY 58 2.653 17.414 1.722 459 H ASP 59 HN ASP 59 1.706 18.453 -0.275 460 HA ASP 59 HA ASP 59 -0.027 20.604 0.566 461 1HB ASP 59 HB2 ASP 59 1.997 20.883 -0.938 462 2HB ASP 59 HB1 ASP 59 1.059 20.106 -2.210 463 H ALA 60 HN ALA 60 -0.610 17.555 -0.392 464 HA ALA 60 HA ALA 60 -2.636 17.836 -2.348 465 1HB ALA 60 HB1 ALA 60 -3.008 15.560 -2.090 466 2HB ALA 60 HB2 ALA 60 -2.559 15.577 -0.386 467 3HB ALA 60 HB3 ALA 60 -1.317 15.739 -1.626 468 H GLU 61 HN GLU 61 -4.641 16.171 -1.011 469 HA GLU 61 HA GLU 61 -5.724 17.885 1.077 470 1HB GLU 61 HB1 GLU 61 -7.969 17.565 -0.429 471 2HB GLU 61 HB2 GLU 61 -6.976 19.016 -0.423 472 1HG GLU 61 HG1 GLU 61 -5.679 17.939 -2.329 473 2HG GLU 61 HG2 GLU 61 -7.011 16.788 -2.427 474 H GLY 62 HN GLY 62 -8.322 16.823 1.058 475 1HA GLY 62 HA1 GLY 62 -7.794 14.236 2.240 476 2HA GLY 62 HA2 GLY 62 -9.340 15.075 2.207 477 H GLY 63 HN GLY 63 -7.778 14.927 -0.798 478 1HA GLY 63 HA2 GLY 63 -9.847 13.340 -1.948 479 2HA GLY 63 HA1 GLY 63 -8.400 13.906 -2.767 480 H THR 64 HN THR 64 -7.138 12.441 -0.203 481 HA THR 64 HA THR 64 -6.423 10.093 -1.678 482 HB THR 64 HB THR 64 -4.869 9.673 -0.023 483 HG1 THR 64 HG1 THR 64 -5.486 9.554 1.962 484 1HG2 THR 64 HG21 THR 64 -5.423 12.600 0.389 485 2HG2 THR 64 HG22 THR 64 -4.387 11.897 -0.852 486 3HG2 THR 64 HG23 THR 64 -3.949 11.749 0.849 487 H GLU 65 HN GLU 65 -9.117 10.903 0.007 488 HA GLU 65 HA GLU 65 -9.771 8.691 1.575 489 1HB GLU 65 HB2 GLU 65 -12.136 9.311 1.047 490 2HB GLU 65 HB1 GLU 65 -11.154 10.655 1.605 491 1HG GLU 65 HG2 GLU 65 -10.825 11.305 -0.779 492 2HG GLU 65 HG1 GLU 65 -11.999 10.063 -1.214 493 H ALA 66 HN ALA 66 -9.542 9.095 -1.815 494 HA ALA 66 HA ALA 66 -11.222 7.110 -2.789 495 1HB ALA 66 HB1 ALA 66 -10.189 8.637 -4.306 496 2HB ALA 66 HB2 ALA 66 -9.664 7.008 -4.737 497 3HB ALA 66 HB3 ALA 66 -8.577 8.080 -3.855 498 H ALA 67 HN ALA 67 -8.101 6.836 -1.244 499 HA ALA 67 HA ALA 67 -7.444 4.221 -2.032 500 1HB ALA 67 HB1 ALA 67 -6.159 6.085 -0.603 501 2HB ALA 67 HB2 ALA 67 -5.717 4.376 -0.577 502 3HB ALA 67 HB3 ALA 67 -6.717 5.048 0.710 503 H GLU 68 HN GLU 68 -9.025 5.368 0.953 504 HA GLU 68 HA GLU 68 -9.651 2.838 1.983 505 1HB GLU 68 HB1 GLU 68 -11.060 5.491 2.347 506 2HB GLU 68 HB2 GLU 68 -11.396 4.053 3.302 507 1HG GLU 68 HG2 GLU 68 -8.779 4.182 3.714 508 2HG GLU 68 HG1 GLU 68 -9.075 5.888 3.380 509 H GLU 69 HN GLU 69 -11.239 4.871 -0.382 510 HA GLU 69 HA GLU 69 -13.729 3.544 -0.485 511 1HB GLU 69 HB1 GLU 69 -12.440 5.675 -1.857 512 2HB GLU 69 HB2 GLU 69 -12.999 4.532 -3.070 513 1HG GLU 69 HG2 GLU 69 -15.239 4.744 -2.390 514 2HG GLU 69 HG1 GLU 69 -14.788 5.552 -0.889 515 H SER 70 HN SER 70 -10.775 3.223 -2.417 516 HA SER 70 HA SER 70 -11.665 1.055 -3.999 517 1HB SER 70 HB2 SER 70 -9.501 0.994 -4.862 518 2HB SER 70 HB1 SER 70 -9.618 2.665 -4.308 519 HG SER 70 HG SER 70 -7.745 1.097 -3.669 520 H LEU 71 HN LEU 71 -10.689 1.315 -0.758 521 HA LEU 71 HA LEU 71 -9.677 -1.333 -0.390 522 1HB LEU 71 HB1 LEU 71 -10.047 1.036 1.181 523 2HB LEU 71 HB2 LEU 71 -10.734 -0.329 2.038 524 HG LEU 71 HG LEU 71 -8.425 0.060 2.713 525 1HD1 LEU 71 HD11 LEU 71 -7.525 -2.258 1.981 526 2HD1 LEU 71 HD12 LEU 71 -9.117 -2.448 1.247 527 3HD1 LEU 71 HD13 LEU 71 -8.973 -2.165 2.981 528 1HD2 LEU 71 HD21 LEU 71 -7.848 -0.300 -0.217 529 2HD2 LEU 71 HD22 LEU 71 -6.615 -0.454 1.035 530 3HD2 LEU 71 HD23 LEU 71 -7.457 1.080 0.809 531 H SER 72 HN SER 72 -12.804 0.178 -0.342 532 HA SER 72 HA SER 72 -14.248 -1.822 1.028 533 1HB SER 72 HB1 SER 72 -14.816 0.655 -0.106 534 2HB SER 72 HB2 SER 72 -15.773 -0.479 -1.061 535 HG SER 72 HG SER 72 -17.076 -0.124 0.604 536 H GLY 73 HN GLY 73 -12.705 -1.848 -1.952 537 1HA GLY 73 HA2 GLY 73 -13.895 -4.423 -2.619 538 2HA GLY 73 HA1 GLY 73 -14.064 -3.153 -3.824 539 H ILE 74 HN ILE 74 -11.310 -3.348 -1.750 540 HA ILE 74 HA ILE 74 -9.487 -3.386 -3.934 541 HB ILE 74 HB ILE 74 -9.246 -2.347 -1.565 542 1HG1 ILE 74 HG11 ILE 74 -6.636 -3.105 -1.789 543 2HG1 ILE 74 HG12 ILE 74 -7.242 -3.472 -3.402 544 1HG2 ILE 74 HG21 ILE 74 -9.489 -4.799 -0.627 545 2HG2 ILE 74 HG22 ILE 74 -8.485 -3.592 0.176 546 3HG2 ILE 74 HG23 ILE 74 -7.742 -4.807 -0.865 547 1HD1 ILE 74 HD11 ILE 74 -7.597 -1.292 -3.913 548 2HD1 ILE 74 HD12 ILE 74 -6.264 -1.107 -2.774 549 3HD1 ILE 74 HD13 ILE 74 -7.924 -0.835 -2.242 550 H GLU 75 HN GLU 75 -7.417 -5.035 -3.049 551 HA GLU 75 HA GLU 75 -7.934 -7.451 -4.265 552 1HB GLU 75 HB2 GLU 75 -5.824 -6.337 -2.565 553 2HB GLU 75 HB1 GLU 75 -5.978 -8.084 -2.415 554 1HG GLU 75 HG2 GLU 75 -4.379 -7.692 -4.096 555 2HG GLU 75 HG1 GLU 75 -5.853 -8.199 -4.924 556 H GLY 76 HN GLY 76 -9.711 -8.589 -3.683 557 1HA GLY 76 HA1 GLY 76 -10.724 -8.931 -1.105 558 2HA GLY 76 HA2 GLY 76 -11.053 -9.993 -2.465 559 H VAL 77 HN VAL 77 -8.275 -10.772 -2.819 560 HA VAL 77 HA VAL 77 -8.182 -12.817 -0.756 561 HB VAL 77 HB VAL 77 -6.270 -12.465 -3.060 562 1HG1 VAL 77 HG21 VAL 77 -5.521 -13.988 -1.320 563 2HG1 VAL 77 HG22 VAL 77 -5.936 -14.882 -2.782 564 3HG1 VAL 77 HG23 VAL 77 -7.045 -14.869 -1.411 565 1HG2 VAL 77 HG11 VAL 77 -7.728 -14.197 -4.190 566 2HG2 VAL 77 HG12 VAL 77 -8.387 -12.563 -4.096 567 3HG2 VAL 77 HG13 VAL 77 -8.957 -13.809 -2.985 568 H SER 78 HN SER 78 -6.274 -10.105 -1.910 569 HA SER 78 HA SER 78 -4.304 -10.515 0.197 570 1HB SER 78 HB1 SER 78 -3.412 -10.032 -2.021 571 2HB SER 78 HB2 SER 78 -4.378 -8.561 -2.114 572 HG SER 78 HG SER 78 -1.970 -8.951 -0.958 573 H ASN 79 HN ASN 79 -5.376 -9.888 2.059 574 HA ASN 79 HA ASN 79 -6.722 -7.321 2.164 575 1HB ASN 79 HB2 ASN 79 -7.196 -9.469 3.638 576 2HB ASN 79 HB1 ASN 79 -5.949 -8.762 4.662 577 1HD2 ASN 79 HD21 ASN 79 -6.445 -6.058 4.507 578 2HD2 ASN 79 HD22 ASN 79 -8.021 -5.723 5.128 579 H ILE 80 HN ILE 80 -5.888 -5.471 2.832 580 HA ILE 80 HA ILE 80 -3.015 -5.448 3.274 581 HB ILE 80 HB ILE 80 -4.835 -3.118 2.737 582 1HG1 ILE 80 HG11 ILE 80 -3.216 -4.043 0.500 583 2HG1 ILE 80 HG12 ILE 80 -4.389 -5.250 1.017 584 1HG2 ILE 80 HG21 ILE 80 -2.071 -3.379 3.327 585 2HG2 ILE 80 HG22 ILE 80 -3.006 -1.919 3.013 586 3HG2 ILE 80 HG23 ILE 80 -2.251 -2.786 1.677 587 1HD1 ILE 80 HD11 ILE 80 -5.937 -3.044 0.963 588 2HD1 ILE 80 HD12 ILE 80 -5.739 -4.156 -0.391 589 3HD1 ILE 80 HD13 ILE 80 -4.787 -2.674 -0.321 590 H GLU 81 HN GLU 81 -2.021 -4.265 4.875 591 HA GLU 81 HA GLU 81 -3.560 -3.842 7.310 592 1HB GLU 81 HB1 GLU 81 -1.143 -4.909 7.088 593 2HB GLU 81 HB2 GLU 81 -0.639 -3.227 7.071 594 1HG GLU 81 HG1 GLU 81 -0.515 -4.146 9.306 595 2HG GLU 81 HG2 GLU 81 -1.724 -2.866 9.219 596 H VAL 82 HN VAL 82 -4.715 -2.221 6.020 597 HA VAL 82 HA VAL 82 -3.355 0.163 5.216 598 HB VAL 82 HB VAL 82 -6.316 -0.453 5.382 599 1HG1 VAL 82 HG21 VAL 82 -5.876 1.371 3.339 600 2HG1 VAL 82 HG22 VAL 82 -4.825 1.939 4.638 601 3HG1 VAL 82 HG23 VAL 82 -6.553 1.735 4.926 602 1HG2 VAL 82 HG11 VAL 82 -5.595 -2.001 3.870 603 2HG2 VAL 82 HG12 VAL 82 -4.230 -1.014 3.337 604 3HG2 VAL 82 HG13 VAL 82 -5.865 -0.618 2.805 605 H THR 83 HN THR 83 -2.703 -0.032 7.764 606 HA THR 83 HA THR 83 -4.267 2.087 9.045 607 HB THR 83 HB THR 83 -3.079 -0.116 10.699 608 HG1 THR 83 HG1 THR 83 -4.563 -0.989 9.096 609 1HG2 THR 83 HG21 THR 83 -4.144 2.154 11.526 610 2HG2 THR 83 HG22 THR 83 -4.353 0.640 12.405 611 3HG2 THR 83 HG23 THR 83 -5.633 1.226 11.342 612 H ASP 84 HN ASP 84 -1.410 1.539 7.676 613 HA ASP 84 HA ASP 84 0.303 2.334 9.867 614 1HB ASP 84 HB2 ASP 84 0.774 1.733 6.962 615 2HB ASP 84 HB1 ASP 84 2.036 2.421 7.979 616 H VAL 85 HN VAL 85 1.394 4.256 10.058 617 HA VAL 85 HA VAL 85 0.792 6.446 8.237 618 HB VAL 85 HB VAL 85 -0.211 6.284 11.046 619 1HG1 VAL 85 HG21 VAL 85 -0.375 8.729 11.181 620 2HG1 VAL 85 HG22 VAL 85 0.558 8.868 9.692 621 3HG1 VAL 85 HG23 VAL 85 1.303 8.187 11.138 622 1HG2 VAL 85 HG11 VAL 85 -1.368 7.742 8.691 623 2HG2 VAL 85 HG12 VAL 85 -2.191 7.159 10.138 624 3HG2 VAL 85 HG13 VAL 85 -1.602 6.010 8.937 625 H ARG 86 HN ARG 86 2.308 8.080 8.264 626 HA ARG 86 HA ARG 86 4.404 8.055 10.283 627 1HB ARG 86 HB1 ARG 86 4.878 7.557 7.350 628 2HB ARG 86 HB2 ARG 86 6.138 8.173 8.411 629 1HG ARG 86 HG2 ARG 86 5.169 5.992 9.780 630 2HG ARG 86 HG1 ARG 86 5.121 5.482 8.093 631 1HD ARG 86 HD2 ARG 86 7.456 6.046 7.817 632 2HD ARG 86 HD1 ARG 86 7.520 6.686 9.459 633 HE ARG 86 HE ARG 86 6.731 3.914 9.264 634 1HH1 ARG 86 HH12 ARG 86 9.369 6.162 9.627 635 2HH1 ARG 86 HH11 ARG 86 10.427 5.000 10.353 636 1HH2 ARG 86 HH21 ARG 86 8.118 2.379 10.219 637 2HH2 ARG 86 HH22 ARG 86 9.717 2.851 10.690 638 H ARG 87 HN ARG 87 3.314 10.029 10.782 639 HA ARG 87 HA ARG 87 3.311 12.186 8.876 640 1HB ARG 87 HB1 ARG 87 2.565 11.911 11.768 641 2HB ARG 87 HB2 ARG 87 2.745 13.511 11.061 642 1HG ARG 87 HG1 ARG 87 1.137 11.960 9.314 643 2HG ARG 87 HG2 ARG 87 0.517 11.769 10.954 644 1HD ARG 87 HD2 ARG 87 1.148 14.500 10.617 645 2HD ARG 87 HD1 ARG 87 0.259 13.994 9.181 646 HE ARG 87 HE ARG 87 -1.502 13.208 10.714 647 1HH1 ARG 87 HH11 ARG 87 0.817 15.541 11.865 648 2HH1 ARG 87 HH12 ARG 87 -0.229 16.167 13.094 649 1HH2 ARG 87 HH21 ARG 87 -2.887 14.027 12.330 650 2HH2 ARG 87 HH22 ARG 87 -2.335 15.307 13.358 651 H LEU 88 HN LEU 88 5.542 12.333 8.306 652 HA LEU 88 HA LEU 88 7.479 12.970 10.355 653 1HB LEU 88 HB1 LEU 88 8.388 13.615 7.702 654 2HB LEU 88 HB2 LEU 88 9.009 12.434 8.837 655 HG LEU 88 HG LEU 88 6.657 11.890 7.037 656 1HD1 LEU 88 HD11 LEU 88 9.278 12.316 6.217 657 2HD1 LEU 88 HD12 LEU 88 8.008 11.486 5.316 658 3HD1 LEU 88 HD13 LEU 88 9.123 10.561 6.323 659 1HD2 LEU 88 HD21 LEU 88 7.497 10.574 9.258 660 2HD2 LEU 88 HD22 LEU 88 8.393 9.730 7.993 661 3HD2 LEU 88 HD23 LEU 88 6.633 9.827 7.911 662 H MET 89 HN MET 89 6.794 14.877 11.294 663 HA MET 89 HA MET 89 6.385 17.208 9.584 664 1HB MET 89 HB1 MET 89 5.810 18.324 11.790 665 2HB MET 89 HB2 MET 89 4.735 17.030 11.275 666 1HG MET 89 HG1 MET 89 5.180 15.801 13.073 667 2HG MET 89 HG2 MET 89 6.916 16.074 12.937 668 1HE MET 89 HE1 MET 89 8.076 17.979 13.491 669 2HE MET 89 HE2 MET 89 7.954 18.524 15.163 670 3HE MET 89 HE3 MET 89 7.303 19.520 13.862 Start of MODEL 6 1 1H MET 1 HT1 MET 1 13.986 15.987 5.769 2 2H MET 1 HT2 MET 1 13.442 17.292 6.742 3 3H MET 1 HT3 MET 1 13.121 17.286 5.056 4 HA MET 1 HA MET 1 11.549 15.682 5.205 5 1HB MET 1 HB2 MET 1 13.314 14.737 7.250 6 2HB MET 1 HB1 MET 1 11.682 14.786 7.903 7 1HG MET 1 HG1 MET 1 10.923 13.480 5.929 8 2HG MET 1 HG2 MET 1 12.611 13.325 5.444 9 1HE MET 1 HE1 MET 1 14.078 11.521 8.622 10 2HE MET 1 HE2 MET 1 14.200 13.070 7.788 11 3HE MET 1 HE3 MET 1 14.411 11.567 6.890 12 H GLY 2 HN GLY 2 9.456 16.000 5.903 13 1HA GLY 2 HA1 GLY 2 8.590 17.250 8.230 14 2HA GLY 2 HA2 GLY 2 8.864 18.527 7.052 15 H ASP 3 HN ASP 3 8.124 15.841 5.347 16 HA ASP 3 HA ASP 3 5.367 16.729 4.943 17 1HB ASP 3 HB2 ASP 3 5.429 15.633 2.842 18 2HB ASP 3 HB1 ASP 3 6.994 16.422 3.008 19 H VAL 4 HN VAL 4 3.720 15.007 4.541 20 HA VAL 4 HA VAL 4 3.985 12.922 6.590 21 HB VAL 4 HB VAL 4 1.364 13.199 5.313 22 1HG1 VAL 4 HG21 VAL 4 2.546 12.681 7.942 23 2HG1 VAL 4 HG22 VAL 4 1.083 12.028 7.203 24 3HG1 VAL 4 HG23 VAL 4 1.045 13.607 7.987 25 1HG2 VAL 4 HG11 VAL 4 1.600 15.480 5.167 26 2HG2 VAL 4 HG12 VAL 4 2.703 15.564 6.540 27 3HG2 VAL 4 HG13 VAL 4 0.979 15.314 6.809 28 H VAL 5 HN VAL 5 3.883 10.777 6.113 29 HA VAL 5 HA VAL 5 3.226 10.008 3.351 30 HB VAL 5 HB VAL 5 5.707 9.300 4.881 31 1HG1 VAL 5 HG11 VAL 5 4.912 7.131 4.415 32 2HG1 VAL 5 HG12 VAL 5 6.060 7.496 3.126 33 3HG1 VAL 5 HG13 VAL 5 4.326 7.600 2.819 34 1HG2 VAL 5 HG21 VAL 5 6.768 9.733 2.726 35 2HG2 VAL 5 HG22 VAL 5 5.787 11.107 3.236 36 3HG2 VAL 5 HG23 VAL 5 5.187 10.007 1.993 37 H ALA 6 HN ALA 6 1.768 8.410 3.253 38 HA ALA 6 HA ALA 6 1.070 7.000 5.723 39 1HB ALA 6 HB1 ALA 6 -0.614 8.170 4.133 40 2HB ALA 6 HB2 ALA 6 -1.020 6.595 4.813 41 3HB ALA 6 HB3 ALA 6 -0.436 6.714 3.154 42 H THR 7 HN THR 7 0.421 4.611 5.394 43 HA THR 7 HA THR 7 2.079 3.298 3.387 44 HB THR 7 HB THR 7 2.273 2.470 6.271 45 HG1 THR 7 HG1 THR 7 4.530 3.468 5.673 46 1HG2 THR 7 HG21 THR 7 3.812 1.762 3.796 47 2HG2 THR 7 HG22 THR 7 2.932 0.691 4.891 48 3HG2 THR 7 HG23 THR 7 4.422 1.466 5.427 49 H ILE 8 HN ILE 8 1.160 1.648 2.492 50 HA ILE 8 HA ILE 8 -1.173 0.373 3.772 51 HB ILE 8 HB ILE 8 -0.710 0.638 0.806 52 1HG1 ILE 8 HG12 ILE 8 -0.830 2.880 2.019 53 2HG1 ILE 8 HG11 ILE 8 -2.002 2.624 0.731 54 1HG2 ILE 8 HG21 ILE 8 -3.350 0.529 1.079 55 2HG2 ILE 8 HG22 ILE 8 -2.884 -0.345 2.539 56 3HG2 ILE 8 HG23 ILE 8 -2.338 -0.911 0.960 57 1HD1 ILE 8 HD11 ILE 8 -2.705 2.061 3.583 58 2HD1 ILE 8 HD12 ILE 8 -3.770 2.399 2.218 59 3HD1 ILE 8 HD13 ILE 8 -2.795 3.691 2.919 60 H LYS 9 HN LYS 9 -0.526 -1.633 4.448 61 HA LYS 9 HA LYS 9 1.475 -3.101 2.891 62 1HB LYS 9 HB1 LYS 9 0.518 -4.325 5.372 63 2HB LYS 9 HB2 LYS 9 2.157 -4.043 4.804 64 1HG LYS 9 HG2 LYS 9 0.833 -1.572 5.532 65 2HG LYS 9 HG1 LYS 9 0.861 -2.724 6.862 66 1HD LYS 9 HD2 LYS 9 3.322 -2.141 5.268 67 2HD LYS 9 HD1 LYS 9 2.824 -1.103 6.604 68 1HE LYS 9 HE2 LYS 9 2.906 -4.020 7.112 69 2HE LYS 9 HE1 LYS 9 4.452 -3.190 6.936 70 1HZ LYS 9 HZ1 LYS 9 2.316 -2.341 8.814 71 2HZ LYS 9 HZ2 LYS 9 3.887 -1.722 8.713 72 3HZ LYS 9 HZ3 LYS 9 3.635 -3.306 9.251 73 H VAL 10 HN VAL 10 0.358 -4.013 1.215 74 HA VAL 10 HA VAL 10 -2.041 -5.562 1.777 75 HB VAL 10 HB VAL 10 -2.691 -5.079 -0.293 76 1HG1 VAL 10 HG21 VAL 10 -0.901 -3.127 0.460 77 2HG1 VAL 10 HG22 VAL 10 -2.070 -3.015 -0.857 78 3HG1 VAL 10 HG23 VAL 10 -0.413 -3.516 -1.192 79 1HG2 VAL 10 HG11 VAL 10 -0.999 -5.333 -2.279 80 2HG2 VAL 10 HG12 VAL 10 -1.708 -6.751 -1.508 81 3HG2 VAL 10 HG13 VAL 10 -0.070 -6.245 -1.090 82 H MET 11 HN MET 11 -2.247 -7.755 1.634 83 HA MET 11 HA MET 11 -0.068 -9.323 0.538 84 1HB MET 11 HB2 MET 11 0.648 -10.385 2.434 85 2HB MET 11 HB1 MET 11 0.235 -8.817 3.107 86 1HG MET 11 HG1 MET 11 -1.437 -9.627 4.353 87 2HG MET 11 HG2 MET 11 -1.951 -10.771 3.117 88 1HE MET 11 HE1 MET 11 -1.609 -13.360 3.432 89 2HE MET 11 HE2 MET 11 0.030 -13.928 3.749 90 3HE MET 11 HE3 MET 11 -0.271 -12.795 2.432 91 HA PRO 12 HA PRO 12 -3.691 -11.627 -0.758 92 1HB PRO 12 HB1 PRO 12 -1.699 -13.371 -2.050 93 2HB PRO 12 HB2 PRO 12 -2.986 -12.406 -2.779 94 1HG PRO 12 HG1 PRO 12 -0.420 -11.717 -3.059 95 2HG PRO 12 HG2 PRO 12 -1.686 -10.488 -2.858 96 1HD PRO 12 HD2 PRO 12 0.194 -11.614 -0.792 97 2HD PRO 12 HD1 PRO 12 -0.210 -9.915 -1.127 98 H GLU 13 HN GLU 13 -4.667 -13.000 0.548 99 HA GLU 13 HA GLU 13 -3.465 -14.548 2.514 100 1HB GLU 13 HB1 GLU 13 -6.166 -14.352 1.328 101 2HB GLU 13 HB2 GLU 13 -5.809 -15.852 2.170 102 1HG GLU 13 HG1 GLU 13 -5.283 -13.200 3.451 103 2HG GLU 13 HG2 GLU 13 -6.888 -13.930 3.478 104 H SER 14 HN SER 14 -4.145 -15.274 -0.823 105 HA SER 14 HA SER 14 -3.733 -18.110 -0.540 106 1HB SER 14 HB2 SER 14 -4.348 -16.232 -2.761 107 2HB SER 14 HB1 SER 14 -3.500 -17.715 -3.199 108 HG SER 14 HG SER 14 -5.706 -17.923 -1.502 109 HA PRO 15 HA PRO 15 0.621 -18.252 -0.904 110 1HB PRO 15 HB2 PRO 15 0.500 -20.658 -2.541 111 2HB PRO 15 HB1 PRO 15 1.001 -20.476 -0.862 112 1HG PRO 15 HG2 PRO 15 -1.280 -21.751 -1.594 113 2HG PRO 15 HG1 PRO 15 -1.081 -20.919 -0.042 114 1HD PRO 15 HD2 PRO 15 -2.489 -20.008 -2.515 115 2HD PRO 15 HD1 PRO 15 -2.942 -19.791 -0.811 116 H ASP 16 HN ASP 16 -1.383 -17.835 -3.553 117 HA ASP 16 HA ASP 16 0.774 -17.704 -5.513 118 1HB ASP 16 HB2 ASP 16 -1.762 -18.516 -5.832 119 2HB ASP 16 HB1 ASP 16 -1.980 -16.807 -6.194 120 H VAL 17 HN VAL 17 0.817 -15.917 -3.274 121 HA VAL 17 HA VAL 17 -0.154 -13.360 -3.994 122 HB VAL 17 HB VAL 17 0.199 -13.200 -1.808 123 1HG1 VAL 17 HG11 VAL 17 0.763 -15.128 -0.916 124 2HG1 VAL 17 HG12 VAL 17 2.422 -14.523 -0.917 125 3HG1 VAL 17 HG13 VAL 17 1.849 -15.530 -2.248 126 1HG2 VAL 17 HG21 VAL 17 2.220 -12.122 -1.096 127 2HG2 VAL 17 HG22 VAL 17 1.786 -11.535 -2.704 128 3HG2 VAL 17 HG23 VAL 17 3.085 -12.716 -2.516 129 H ASP 18 HN ASP 18 0.451 -13.020 -6.103 130 HA ASP 18 HA ASP 18 3.157 -13.148 -7.028 131 1HB ASP 18 HB1 ASP 18 0.562 -12.168 -8.155 132 2HB ASP 18 HB2 ASP 18 2.070 -11.702 -8.936 133 H LEU 19 HN LEU 19 4.615 -11.821 -6.153 134 HA LEU 19 HA LEU 19 4.047 -9.333 -4.978 135 1HB LEU 19 HB1 LEU 19 6.131 -10.927 -4.795 136 2HB LEU 19 HB2 LEU 19 6.750 -9.939 -6.104 137 HG LEU 19 HG LEU 19 5.711 -8.513 -3.716 138 1HD1 LEU 19 HD21 LEU 19 6.906 -10.054 -2.471 139 2HD1 LEU 19 HD22 LEU 19 8.101 -8.791 -2.766 140 3HD1 LEU 19 HD23 LEU 19 8.129 -10.272 -3.722 141 1HD2 LEU 19 HD11 LEU 19 6.847 -6.824 -4.611 142 2HD2 LEU 19 HD12 LEU 19 7.099 -7.849 -6.022 143 3HD2 LEU 19 HD13 LEU 19 8.315 -7.792 -4.746 144 H GLU 20 HN GLU 20 5.511 -10.120 -8.121 145 HA GLU 20 HA GLU 20 5.768 -7.446 -8.950 146 1HB GLU 20 HB1 GLU 20 7.079 -9.212 -9.975 147 2HB GLU 20 HB2 GLU 20 5.621 -9.994 -10.570 148 1HG GLU 20 HG1 GLU 20 6.756 -8.802 -12.348 149 2HG GLU 20 HG2 GLU 20 5.177 -8.089 -12.021 150 H ALA 21 HN ALA 21 3.180 -9.818 -9.360 151 HA ALA 21 HA ALA 21 1.674 -8.184 -11.162 152 1HB ALA 21 HB1 ALA 21 0.038 -9.819 -11.111 153 2HB ALA 21 HB2 ALA 21 0.411 -10.284 -9.451 154 3HB ALA 21 HB3 ALA 21 1.502 -10.739 -10.762 155 H LEU 22 HN LEU 22 1.870 -8.552 -7.709 156 HA LEU 22 HA LEU 22 -0.482 -7.100 -7.033 157 1HB LEU 22 HB2 LEU 22 1.169 -8.628 -5.600 158 2HB LEU 22 HB1 LEU 22 1.920 -7.085 -5.260 159 HG LEU 22 HG LEU 22 0.262 -6.421 -3.871 160 1HD1 LEU 22 HD21 LEU 22 -1.750 -8.018 -5.451 161 2HD1 LEU 22 HD22 LEU 22 -1.442 -6.290 -5.632 162 3HD1 LEU 22 HD23 LEU 22 -2.104 -6.915 -4.121 163 1HD2 LEU 22 HD11 LEU 22 -0.932 -8.511 -2.878 164 2HD2 LEU 22 HD12 LEU 22 0.813 -8.310 -2.701 165 3HD2 LEU 22 HD13 LEU 22 0.173 -9.394 -3.935 166 H LYS 23 HN LYS 23 2.786 -6.292 -7.830 167 HA LYS 23 HA LYS 23 2.931 -3.659 -6.929 168 1HB LYS 23 HB2 LYS 23 4.370 -5.380 -8.795 169 2HB LYS 23 HB1 LYS 23 4.378 -3.695 -9.290 170 1HG LYS 23 HG1 LYS 23 4.984 -3.447 -6.666 171 2HG LYS 23 HG2 LYS 23 5.708 -5.016 -7.028 172 1HD LYS 23 HD2 LYS 23 6.284 -3.136 -9.123 173 2HD LYS 23 HD1 LYS 23 6.778 -2.486 -7.558 174 1HE LYS 23 HE2 LYS 23 7.531 -5.226 -7.665 175 2HE LYS 23 HE1 LYS 23 8.075 -4.446 -9.151 176 1HZ LYS 23 HZ1 LYS 23 9.134 -4.222 -6.534 177 2HZ LYS 23 HZ2 LYS 23 8.685 -2.696 -7.107 178 3HZ LYS 23 HZ3 LYS 23 9.768 -3.647 -7.993 179 H LYS 24 HN LYS 24 1.777 -4.985 -10.002 180 HA LYS 24 HA LYS 24 1.172 -2.486 -11.191 181 1HB LYS 24 HB1 LYS 24 -0.338 -4.981 -11.879 182 2HB LYS 24 HB2 LYS 24 0.232 -3.699 -12.939 183 1HG LYS 24 HG1 LYS 24 2.587 -4.645 -12.056 184 2HG LYS 24 HG2 LYS 24 1.610 -6.114 -11.972 185 1HD LYS 24 HD1 LYS 24 1.547 -4.407 -14.427 186 2HD LYS 24 HD2 LYS 24 2.876 -5.539 -14.169 187 1HE LYS 24 HE1 LYS 24 1.589 -7.135 -15.022 188 2HE LYS 24 HE2 LYS 24 0.560 -6.984 -13.597 189 1HZ LYS 24 HZ1 LYS 24 -0.797 -5.394 -14.737 190 2HZ LYS 24 HZ2 LYS 24 -0.658 -6.770 -15.711 191 3HZ LYS 24 HZ3 LYS 24 0.236 -5.381 -16.075 192 H GLU 25 HN GLU 25 -0.714 -4.798 -9.286 193 HA GLU 25 HA GLU 25 -3.203 -3.451 -9.573 194 1HB GLU 25 HB1 GLU 25 -2.258 -5.325 -7.394 195 2HB GLU 25 HB2 GLU 25 -3.925 -4.833 -7.660 196 1HG GLU 25 HG2 GLU 25 -3.399 -5.789 -10.085 197 2HG GLU 25 HG1 GLU 25 -2.243 -6.747 -9.161 198 H ILE 26 HN ILE 26 -0.471 -3.082 -7.491 199 HA ILE 26 HA ILE 26 -1.653 -1.598 -5.413 200 HB ILE 26 HB ILE 26 1.128 -1.986 -6.407 201 1HG1 ILE 26 HG11 ILE 26 0.324 -2.047 -3.541 202 2HG1 ILE 26 HG12 ILE 26 -0.346 -3.290 -4.595 203 1HG2 ILE 26 HG21 ILE 26 1.775 -0.407 -4.422 204 2HG2 ILE 26 HG22 ILE 26 0.216 0.338 -4.775 205 3HG2 ILE 26 HG23 ILE 26 1.458 0.255 -6.025 206 1HD1 ILE 26 HD11 ILE 26 1.893 -3.979 -5.227 207 2HD1 ILE 26 HD12 ILE 26 1.680 -4.041 -3.477 208 3HD1 ILE 26 HD13 ILE 26 2.580 -2.712 -4.210 209 H GLN 27 HN GLN 27 -0.151 -0.643 -8.470 210 HA GLN 27 HA GLN 27 -0.211 2.129 -8.062 211 1HB GLN 27 HB1 GLN 27 -0.446 0.651 -10.689 212 2HB GLN 27 HB2 GLN 27 0.063 2.320 -10.474 213 1HG GLN 27 HG1 GLN 27 1.750 0.783 -8.849 214 2HG GLN 27 HG2 GLN 27 1.617 -0.081 -10.381 215 1HE2 GLN 27 HE21 GLN 27 2.888 2.645 -8.750 216 2HE2 GLN 27 HE22 GLN 27 3.739 3.333 -10.087 217 H GLU 28 HN GLU 28 -2.635 -0.103 -9.313 218 HA GLU 28 HA GLU 28 -4.428 2.012 -10.105 219 1HB GLU 28 HB2 GLU 28 -5.926 0.304 -10.774 220 2HB GLU 28 HB1 GLU 28 -4.313 -0.266 -11.174 221 1HG GLU 28 HG1 GLU 28 -4.290 -1.692 -9.228 222 2HG GLU 28 HG2 GLU 28 -5.867 -1.078 -8.733 223 H ARG 29 HN ARG 29 -3.757 0.293 -7.219 224 HA ARG 29 HA ARG 29 -6.330 0.928 -6.020 225 1HB ARG 29 HB2 ARG 29 -5.783 -0.548 -4.321 226 2HB ARG 29 HB1 ARG 29 -4.952 -1.251 -5.699 227 1HG ARG 29 HG1 ARG 29 -2.861 -0.577 -4.946 228 2HG ARG 29 HG2 ARG 29 -3.538 0.634 -3.852 229 1HD ARG 29 HD1 ARG 29 -4.440 -1.128 -2.439 230 2HD ARG 29 HD2 ARG 29 -3.833 -2.354 -3.550 231 HE ARG 29 HE ARG 29 -1.817 -2.184 -2.514 232 1HH1 ARG 29 HH21 ARG 29 -3.542 0.805 -2.019 233 2HH1 ARG 29 HH22 ARG 29 -2.315 1.492 -1.008 234 1HH2 ARG 29 HH12 ARG 29 -0.202 -1.287 -1.188 235 2HH2 ARG 29 HH11 ARG 29 -0.417 0.304 -0.538 236 H ILE 30 HN ILE 30 -3.371 2.452 -6.443 237 HA ILE 30 HA ILE 30 -2.926 3.713 -3.981 238 HB ILE 30 HB ILE 30 -2.353 4.713 -6.769 239 1HG1 ILE 30 HG11 ILE 30 -1.208 2.619 -6.064 240 2HG1 ILE 30 HG12 ILE 30 -0.097 3.943 -6.373 241 1HG2 ILE 30 HG21 ILE 30 -1.528 6.628 -5.977 242 2HG2 ILE 30 HG22 ILE 30 -0.700 5.818 -4.646 243 3HG2 ILE 30 HG23 ILE 30 -2.401 6.265 -4.488 244 1HD1 ILE 30 HD11 ILE 30 0.388 2.527 -4.353 245 2HD1 ILE 30 HD12 ILE 30 -1.050 3.237 -3.618 246 3HD1 ILE 30 HD13 ILE 30 0.306 4.267 -4.074 247 HA PRO 31 HA PRO 31 -6.382 6.452 -3.398 248 1HB PRO 31 HB2 PRO 31 -4.907 8.544 -2.276 249 2HB PRO 31 HB1 PRO 31 -5.628 7.199 -1.394 250 1HG PRO 31 HG2 PRO 31 -2.822 7.553 -2.348 251 2HG PRO 31 HG1 PRO 31 -3.415 6.842 -0.835 252 1HD PRO 31 HD1 PRO 31 -2.552 5.286 -2.816 253 2HD PRO 31 HD2 PRO 31 -3.982 4.831 -1.863 254 H GLU 32 HN GLU 32 -7.208 7.382 -5.155 255 HA GLU 32 HA GLU 32 -5.791 8.644 -7.200 256 1HB GLU 32 HB1 GLU 32 -8.619 8.316 -6.448 257 2HB GLU 32 HB2 GLU 32 -8.282 9.719 -7.453 258 1HG GLU 32 HG2 GLU 32 -6.889 7.507 -8.548 259 2HG GLU 32 HG1 GLU 32 -8.548 7.006 -8.222 260 H GLY 33 HN GLY 33 -6.069 9.814 -4.147 261 1HA GLY 33 HA1 GLY 33 -6.621 12.577 -4.784 262 2HA GLY 33 HA2 GLY 33 -6.156 11.940 -3.215 263 H THR 34 HN THR 34 -3.747 10.847 -3.556 264 HA THR 34 HA THR 34 -2.121 13.062 -4.623 265 HB THR 34 HB THR 34 -1.006 11.295 -2.508 266 HG1 THR 34 HG1 THR 34 -2.977 11.678 -1.594 267 1HG2 THR 34 HG21 THR 34 0.461 12.989 -3.111 268 2HG2 THR 34 HG22 THR 34 -0.296 13.587 -1.634 269 3HG2 THR 34 HG23 THR 34 -0.820 14.197 -3.204 270 H GLU 35 HN GLU 35 0.205 11.171 -3.745 271 HA GLU 35 HA GLU 35 0.081 9.290 -5.993 272 1HB GLU 35 HB2 GLU 35 2.426 9.917 -6.585 273 2HB GLU 35 HB1 GLU 35 1.251 11.189 -6.887 274 1HG GLU 35 HG1 GLU 35 1.977 11.921 -4.449 275 2HG GLU 35 HG2 GLU 35 3.447 11.061 -4.905 276 H LEU 36 HN LEU 36 1.988 7.763 -5.929 277 HA LEU 36 HA LEU 36 2.080 6.567 -3.334 278 1HB LEU 36 HB1 LEU 36 3.736 4.996 -4.555 279 2HB LEU 36 HB2 LEU 36 2.048 4.990 -5.026 280 HG LEU 36 HG LEU 36 3.398 6.912 -6.638 281 1HD1 LEU 36 HD11 LEU 36 4.743 4.794 -7.721 282 2HD1 LEU 36 HD12 LEU 36 4.995 4.554 -5.992 283 3HD1 LEU 36 HD13 LEU 36 5.468 6.075 -6.748 284 1HD2 LEU 36 HD21 LEU 36 2.156 4.223 -7.176 285 2HD2 LEU 36 HD22 LEU 36 2.710 5.319 -8.441 286 3HD2 LEU 36 HD23 LEU 36 1.411 5.812 -7.355 287 H HIS 37 HN HIS 37 4.393 5.632 -2.700 288 HA HIS 37 HA HIS 37 6.355 7.820 -2.764 289 1HB HIS 37 HB1 HIS 37 5.120 7.870 -0.623 290 2HB HIS 37 HB2 HIS 37 5.589 6.205 -0.326 291 HD2 HIS 37 HD2 HIS 37 8.080 5.812 0.699 292 HE1 HIS 37 HE1 HIS 37 9.193 9.897 0.731 293 HE2 HIS 37 HE2 HIS 37 9.842 7.557 1.467 294 H LYS 38 HN LYS 38 6.281 4.726 -1.081 295 HA LYS 38 HA LYS 38 8.116 3.445 -2.901 296 1HB LYS 38 HB1 LYS 38 9.000 4.542 -0.249 297 2HB LYS 38 HB2 LYS 38 9.735 3.077 -0.878 298 1HG LYS 38 HG1 LYS 38 9.714 5.780 -2.201 299 2HG LYS 38 HG2 LYS 38 11.091 4.995 -1.423 300 1HD LYS 38 HD2 LYS 38 10.906 3.153 -3.084 301 2HD LYS 38 HD1 LYS 38 9.645 4.075 -3.905 302 1HE LYS 38 HE2 LYS 38 11.315 5.956 -4.098 303 2HE LYS 38 HE1 LYS 38 12.541 4.814 -3.546 304 1HZ LYS 38 HZ1 LYS 38 12.714 4.036 -5.595 305 2HZ LYS 38 HZ2 LYS 38 11.590 5.178 -6.135 306 3HZ LYS 38 HZ3 LYS 38 11.068 3.649 -5.638 307 H ILE 39 HN ILE 39 7.832 1.290 -2.816 308 HA ILE 39 HA ILE 39 6.047 0.249 -0.767 309 HB ILE 39 HB ILE 39 7.062 -1.288 -3.135 310 1HG1 ILE 39 HG11 ILE 39 4.884 0.794 -2.974 311 2HG1 ILE 39 HG12 ILE 39 6.191 0.670 -4.146 312 1HG2 ILE 39 HG21 ILE 39 4.786 -2.355 -2.852 313 2HG2 ILE 39 HG22 ILE 39 4.663 -1.472 -1.328 314 3HG2 ILE 39 HG23 ILE 39 5.947 -2.660 -1.560 315 1HD1 ILE 39 HD11 ILE 39 4.618 -0.160 -5.488 316 2HD1 ILE 39 HD12 ILE 39 3.544 -0.552 -4.143 317 3HD1 ILE 39 HD13 ILE 39 4.852 -1.654 -4.579 318 H ASP 40 HN ASP 40 6.439 -1.849 0.225 319 HA ASP 40 HA ASP 40 9.297 -2.468 0.579 320 1HB ASP 40 HB1 ASP 40 7.706 -1.259 2.471 321 2HB ASP 40 HB2 ASP 40 7.587 -2.959 2.908 322 H GLU 41 HN GLU 41 9.700 -4.520 -0.002 323 HA GLU 41 HA GLU 41 7.550 -6.448 -0.170 324 1HB GLU 41 HB1 GLU 41 10.469 -7.068 -0.573 325 2HB GLU 41 HB2 GLU 41 9.072 -7.846 -1.303 326 1HG GLU 41 HG1 GLU 41 9.002 -6.394 -2.992 327 2HG GLU 41 HG2 GLU 41 9.276 -5.010 -1.937 328 H GLU 42 HN GLU 42 7.091 -6.392 2.159 329 HA GLU 42 HA GLU 42 9.027 -7.826 3.833 330 1HB GLU 42 HB1 GLU 42 7.023 -5.789 4.319 331 2HB GLU 42 HB2 GLU 42 6.796 -7.166 5.389 332 1HG GLU 42 HG2 GLU 42 9.450 -6.835 5.619 333 2HG GLU 42 HG1 GLU 42 8.957 -5.172 5.292 334 HA PRO 43 HA PRO 43 6.435 -11.398 3.364 335 1HB PRO 43 HB1 PRO 43 7.905 -13.117 4.846 336 2HB PRO 43 HB2 PRO 43 8.393 -12.572 3.239 337 1HG PRO 43 HG2 PRO 43 9.469 -11.838 5.887 338 2HG PRO 43 HG1 PRO 43 10.250 -11.779 4.301 339 1HD PRO 43 HD1 PRO 43 9.105 -9.616 5.762 340 2HD PRO 43 HD2 PRO 43 9.796 -9.571 4.131 341 H ILE 44 HN ILE 44 5.061 -12.771 4.521 342 HA ILE 44 HA ILE 44 4.534 -11.936 7.297 343 HB ILE 44 HB ILE 44 2.316 -12.866 5.533 344 1HG1 ILE 44 HG12 ILE 44 3.549 -11.150 4.225 345 2HG1 ILE 44 HG11 ILE 44 1.936 -10.617 4.680 346 1HG2 ILE 44 HG21 ILE 44 1.374 -12.502 7.545 347 2HG2 ILE 44 HG22 ILE 44 1.364 -10.818 7.019 348 3HG2 ILE 44 HG23 ILE 44 2.656 -11.408 8.066 349 1HD1 ILE 44 HD11 ILE 44 3.045 -8.741 5.245 350 2HD1 ILE 44 HD12 ILE 44 4.578 -9.583 5.469 351 3HD1 ILE 44 HD13 ILE 44 3.353 -9.626 6.739 352 H ALA 45 HN ALA 45 2.891 -14.361 5.336 353 HA ALA 45 HA ALA 45 3.000 -16.313 7.393 354 1HB ALA 45 HB1 ALA 45 1.211 -16.137 5.661 355 2HB ALA 45 HB2 ALA 45 1.867 -17.760 5.871 356 3HB ALA 45 HB3 ALA 45 2.360 -16.782 4.488 357 H PHE 46 HN PHE 46 3.521 -18.609 5.631 358 HA PHE 46 HA PHE 46 6.310 -18.874 6.141 359 1HB PHE 46 HB2 PHE 46 4.243 -20.605 4.809 360 2HB PHE 46 HB1 PHE 46 5.945 -21.049 4.771 361 HD1 PHE 46 HD1 PHE 46 2.923 -21.177 6.626 362 HD2 PHE 46 HD2 PHE 46 7.160 -21.229 7.021 363 HE1 PHE 46 HE1 PHE 46 2.699 -22.211 8.847 364 HE2 PHE 46 HE2 PHE 46 6.944 -22.262 9.244 365 HZ PHE 46 HZ PHE 46 4.712 -22.754 10.159 366 H GLY 47 HN GLY 47 4.395 -17.992 3.369 367 1HA GLY 47 HA1 GLY 47 6.844 -17.314 1.934 368 2HA GLY 47 HA2 GLY 47 5.785 -18.482 1.161 369 H LEU 48 HN LEU 48 3.895 -16.375 2.922 370 HA LEU 48 HA LEU 48 3.136 -14.964 0.488 371 1HB LEU 48 HB2 LEU 48 1.743 -14.636 3.116 372 2HB LEU 48 HB1 LEU 48 1.089 -14.501 1.497 373 HG LEU 48 HG LEU 48 1.690 -16.996 3.064 374 1HD1 LEU 48 HD11 LEU 48 -0.636 -15.478 2.456 375 2HD1 LEU 48 HD12 LEU 48 -0.500 -16.964 3.397 376 3HD1 LEU 48 HD13 LEU 48 -0.766 -17.044 1.654 377 1HD2 LEU 48 HD21 LEU 48 2.518 -17.798 1.109 378 2HD2 LEU 48 HD22 LEU 48 1.638 -16.629 0.126 379 3HD2 LEU 48 HD23 LEU 48 0.800 -18.032 0.787 380 H VAL 49 HN VAL 49 4.477 -13.291 0.128 381 HA VAL 49 HA VAL 49 5.277 -11.571 2.329 382 HB VAL 49 HB VAL 49 6.095 -11.589 -0.576 383 1HG1 VAL 49 HG21 VAL 49 7.882 -10.152 1.152 384 2HG1 VAL 49 HG22 VAL 49 6.263 -9.462 1.242 385 3HG1 VAL 49 HG23 VAL 49 7.072 -9.612 -0.317 386 1HG2 VAL 49 HG11 VAL 49 8.333 -12.179 0.683 387 2HG2 VAL 49 HG12 VAL 49 7.153 -13.425 0.279 388 3HG2 VAL 49 HG13 VAL 49 7.216 -12.766 1.913 389 H ALA 50 HN ALA 50 4.420 -9.661 2.763 390 HA ALA 50 HA ALA 50 2.420 -8.527 0.963 391 1HB ALA 50 HB1 ALA 50 1.706 -7.193 2.801 392 2HB ALA 50 HB2 ALA 50 3.163 -7.572 3.721 393 3HB ALA 50 HB3 ALA 50 1.963 -8.827 3.416 394 H LEU 51 HN LEU 51 2.447 -6.249 0.473 395 HA LEU 51 HA LEU 51 5.164 -5.115 0.454 396 1HB LEU 51 HB2 LEU 51 3.311 -4.196 -1.638 397 2HB LEU 51 HB1 LEU 51 5.016 -4.591 -1.739 398 HG LEU 51 HG LEU 51 2.746 -6.582 -1.743 399 1HD1 LEU 51 HD21 LEU 51 3.762 -4.984 -3.812 400 2HD1 LEU 51 HD22 LEU 51 2.663 -6.357 -3.945 401 3HD1 LEU 51 HD23 LEU 51 4.405 -6.605 -4.074 402 1HD2 LEU 51 HD11 LEU 51 4.996 -7.853 -2.662 403 2HD2 LEU 51 HD12 LEU 51 4.290 -8.024 -1.053 404 3HD2 LEU 51 HD13 LEU 51 5.606 -6.880 -1.324 405 H ASN 52 HN ASN 52 5.365 -3.325 1.551 406 HA ASN 52 HA ASN 52 3.007 -1.882 2.437 407 1HB ASN 52 HB1 ASN 52 5.832 -1.146 3.164 408 2HB ASN 52 HB2 ASN 52 4.359 -0.969 4.116 409 1HD2 ASN 52 HD22 ASN 52 3.407 -3.636 3.617 410 2HD2 ASN 52 HD21 ASN 52 4.408 -4.706 4.533 411 H VAL 53 HN VAL 53 2.338 -0.803 0.642 412 HA VAL 53 HA VAL 53 4.145 0.874 -0.849 413 HB VAL 53 HB VAL 53 1.146 0.814 -1.100 414 1HG1 VAL 53 HG21 VAL 53 2.110 2.609 -2.317 415 2HG1 VAL 53 HG22 VAL 53 1.743 1.344 -3.490 416 3HG1 VAL 53 HG23 VAL 53 3.402 1.581 -2.939 417 1HG2 VAL 53 HG11 VAL 53 1.308 -0.984 -2.652 418 2HG2 VAL 53 HG12 VAL 53 2.132 -1.483 -1.175 419 3HG2 VAL 53 HG13 VAL 53 3.070 -0.967 -2.576 420 H MET 54 HN MET 54 4.820 2.624 0.202 421 HA MET 54 HA MET 54 3.060 4.190 1.871 422 1HB MET 54 HB1 MET 54 5.927 4.620 0.999 423 2HB MET 54 HB2 MET 54 5.078 5.640 2.150 424 1HG MET 54 HG1 MET 54 5.341 4.180 3.827 425 2HG MET 54 HG2 MET 54 5.030 2.786 2.795 426 1HE MET 54 HE1 MET 54 6.959 0.997 2.692 427 2HE MET 54 HE2 MET 54 6.711 1.588 4.334 428 3HE MET 54 HE3 MET 54 8.347 1.362 3.715 429 H VAL 55 HN VAL 55 2.932 6.577 1.547 430 HA VAL 55 HA VAL 55 2.960 7.355 -1.276 431 HB VAL 55 HB VAL 55 0.740 8.124 -1.311 432 1HG1 VAL 55 HG11 VAL 55 -0.597 6.157 -0.824 433 2HG1 VAL 55 HG12 VAL 55 0.690 5.522 0.203 434 3HG1 VAL 55 HG13 VAL 55 0.950 5.694 -1.533 435 1HG2 VAL 55 HG21 VAL 55 -0.739 8.031 0.706 436 2HG2 VAL 55 HG22 VAL 55 0.561 9.218 0.799 437 3HG2 VAL 55 HG23 VAL 55 0.701 7.689 1.666 438 H VAL 56 HN VAL 56 3.423 9.491 -1.651 439 HA VAL 56 HA VAL 56 4.265 11.029 0.689 440 HB VAL 56 HB VAL 56 4.639 12.287 -1.935 441 1HG1 VAL 56 HG11 VAL 56 6.517 13.106 -0.972 442 2HG1 VAL 56 HG12 VAL 56 6.897 11.587 -0.160 443 3HG1 VAL 56 HG13 VAL 56 5.665 12.658 0.506 444 1HG2 VAL 56 HG21 VAL 56 5.176 10.359 -2.985 445 2HG2 VAL 56 HG22 VAL 56 5.508 9.502 -1.481 446 3HG2 VAL 56 HG23 VAL 56 6.712 10.601 -2.153 447 H VAL 57 HN VAL 57 2.793 12.298 1.601 448 HA VAL 57 HA VAL 57 1.038 13.880 -0.152 449 HB VAL 57 HB VAL 57 -0.738 13.749 1.557 450 1HG1 VAL 57 HG21 VAL 57 -0.996 11.095 1.214 451 2HG1 VAL 57 HG22 VAL 57 0.237 11.440 0.001 452 3HG1 VAL 57 HG23 VAL 57 -1.314 12.276 -0.056 453 1HG2 VAL 57 HG11 VAL 57 0.699 13.236 3.485 454 2HG2 VAL 57 HG12 VAL 57 0.990 11.628 2.824 455 3HG2 VAL 57 HG13 VAL 57 -0.634 12.094 3.327 456 H GLY 58 HN GLY 58 0.736 15.994 0.382 457 1HA GLY 58 HA2 GLY 58 1.495 17.048 2.943 458 2HA GLY 58 HA1 GLY 58 2.649 17.443 1.678 459 H ASP 59 HN ASP 59 1.609 18.370 -0.356 460 HA ASP 59 HA ASP 59 -0.052 20.595 0.459 461 1HB ASP 59 HB2 ASP 59 0.525 21.609 -1.567 462 2HB ASP 59 HB1 ASP 59 1.958 20.661 -1.181 463 H ALA 60 HN ALA 60 -0.623 17.501 -0.490 464 HA ALA 60 HA ALA 60 -2.763 17.779 -2.317 465 1HB ALA 60 HB1 ALA 60 -3.112 15.480 -2.035 466 2HB ALA 60 HB2 ALA 60 -2.450 15.493 -0.400 467 3HB ALA 60 HB3 ALA 60 -1.380 15.704 -1.785 468 H GLU 61 HN GLU 61 -4.659 16.046 -0.924 469 HA GLU 61 HA GLU 61 -5.661 17.683 1.266 470 1HB GLU 61 HB1 GLU 61 -7.973 17.369 -0.128 471 2HB GLU 61 HB2 GLU 61 -6.996 18.832 -0.151 472 1HG GLU 61 HG1 GLU 61 -5.854 17.997 -2.170 473 2HG GLU 61 HG2 GLU 61 -6.921 16.593 -2.161 474 H GLY 62 HN GLY 62 -8.235 16.584 1.360 475 1HA GLY 62 HA1 GLY 62 -7.617 13.967 2.425 476 2HA GLY 62 HA2 GLY 62 -9.170 14.790 2.506 477 H GLY 63 HN GLY 63 -7.791 14.768 -0.587 478 1HA GLY 63 HA2 GLY 63 -9.900 13.201 -1.675 479 2HA GLY 63 HA1 GLY 63 -8.496 13.793 -2.548 480 H THR 64 HN THR 64 -7.151 12.250 -0.058 481 HA THR 64 HA THR 64 -6.485 9.942 -1.627 482 HB THR 64 HB THR 64 -4.875 9.471 -0.031 483 HG1 THR 64 HG1 THR 64 -5.234 10.511 2.183 484 1HG2 THR 64 HG21 THR 64 -5.362 12.327 -0.302 485 2HG2 THR 64 HG22 THR 64 -3.864 11.405 -0.433 486 3HG2 THR 64 HG23 THR 64 -4.464 11.892 1.152 487 H GLU 65 HN GLU 65 -9.124 10.730 0.116 488 HA GLU 65 HA GLU 65 -9.764 8.503 1.675 489 1HB GLU 65 HB2 GLU 65 -12.135 9.151 1.193 490 2HB GLU 65 HB1 GLU 65 -11.129 10.475 1.762 491 1HG GLU 65 HG2 GLU 65 -10.932 11.362 -0.450 492 2HG GLU 65 HG1 GLU 65 -11.760 9.960 -1.129 493 H ALA 66 HN ALA 66 -9.584 8.957 -1.711 494 HA ALA 66 HA ALA 66 -11.291 7.007 -2.701 495 1HB ALA 66 HB1 ALA 66 -9.767 6.923 -4.666 496 2HB ALA 66 HB2 ALA 66 -8.631 7.934 -3.773 497 3HB ALA 66 HB3 ALA 66 -10.228 8.558 -4.190 498 H ALA 67 HN ALA 67 -8.184 6.686 -1.160 499 HA ALA 67 HA ALA 67 -7.525 4.083 -1.966 500 1HB ALA 67 HB1 ALA 67 -6.890 5.053 0.787 501 2HB ALA 67 HB2 ALA 67 -6.159 5.836 -0.613 502 3HB ALA 67 HB3 ALA 67 -5.898 4.115 -0.327 503 H GLU 68 HN GLU 68 -9.109 5.164 1.042 504 HA GLU 68 HA GLU 68 -9.790 2.623 1.990 505 1HB GLU 68 HB1 GLU 68 -11.100 5.312 2.421 506 2HB GLU 68 HB2 GLU 68 -11.571 3.858 3.291 507 1HG GLU 68 HG2 GLU 68 -8.845 3.938 3.643 508 2HG GLU 68 HG1 GLU 68 -9.313 5.637 3.709 509 H GLU 69 HN GLU 69 -11.352 4.741 -0.325 510 HA GLU 69 HA GLU 69 -13.854 3.445 -0.455 511 1HB GLU 69 HB1 GLU 69 -12.542 5.585 -1.790 512 2HB GLU 69 HB2 GLU 69 -13.116 4.472 -3.024 513 1HG GLU 69 HG2 GLU 69 -15.355 4.558 -1.774 514 2HG GLU 69 HG1 GLU 69 -14.694 5.990 -0.984 515 H SER 70 HN SER 70 -10.925 3.121 -2.433 516 HA SER 70 HA SER 70 -11.871 0.982 -4.023 517 1HB SER 70 HB2 SER 70 -9.773 0.974 -4.982 518 2HB SER 70 HB1 SER 70 -9.770 2.591 -4.276 519 HG SER 70 HG SER 70 -8.502 1.881 -2.634 520 H LEU 71 HN LEU 71 -10.796 1.190 -0.801 521 HA LEU 71 HA LEU 71 -9.806 -1.469 -0.496 522 1HB LEU 71 HB1 LEU 71 -10.117 0.871 1.119 523 2HB LEU 71 HB2 LEU 71 -10.828 -0.487 1.965 524 HG LEU 71 HG LEU 71 -8.517 -0.181 2.641 525 1HD1 LEU 71 HD11 LEU 71 -9.436 -2.612 1.274 526 2HD1 LEU 71 HD12 LEU 71 -8.815 -2.390 2.910 527 3HD1 LEU 71 HD13 LEU 71 -7.696 -2.513 1.551 528 1HD2 LEU 71 HD21 LEU 71 -7.793 0.875 0.487 529 2HD2 LEU 71 HD22 LEU 71 -7.721 -0.746 -0.205 530 3HD2 LEU 71 HD23 LEU 71 -6.673 -0.317 1.148 531 H SER 72 HN SER 72 -12.925 0.043 -0.404 532 HA SER 72 HA SER 72 -14.361 -1.957 0.975 533 1HB SER 72 HB1 SER 72 -14.935 0.528 -0.122 534 2HB SER 72 HB2 SER 72 -15.890 -0.587 -1.103 535 HG SER 72 HG SER 72 -15.889 -0.616 1.730 536 H GLY 73 HN GLY 73 -12.872 -1.970 -2.047 537 1HA GLY 73 HA2 GLY 73 -14.086 -4.542 -2.690 538 2HA GLY 73 HA1 GLY 73 -14.282 -3.268 -3.884 539 H ILE 74 HN ILE 74 -11.452 -3.401 -1.928 540 HA ILE 74 HA ILE 74 -9.734 -3.547 -4.199 541 HB ILE 74 HB ILE 74 -9.394 -2.375 -1.891 542 1HG1 ILE 74 HG11 ILE 74 -6.848 -3.634 -2.667 543 2HG1 ILE 74 HG12 ILE 74 -7.758 -2.923 -3.998 544 1HG2 ILE 74 HG21 ILE 74 -9.572 -4.621 -0.697 545 2HG2 ILE 74 HG22 ILE 74 -8.276 -3.532 -0.204 546 3HG2 ILE 74 HG23 ILE 74 -7.922 -4.905 -1.253 547 1HD1 ILE 74 HD11 ILE 74 -7.465 -0.808 -3.249 548 2HD1 ILE 74 HD12 ILE 74 -6.013 -1.542 -2.570 549 3HD1 ILE 74 HD13 ILE 74 -7.432 -1.292 -1.554 550 H GLU 75 HN GLU 75 -7.617 -5.138 -3.221 551 HA GLU 75 HA GLU 75 -8.116 -7.631 -4.297 552 1HB GLU 75 HB2 GLU 75 -6.046 -6.408 -2.609 553 2HB GLU 75 HB1 GLU 75 -6.184 -8.149 -2.404 554 1HG GLU 75 HG2 GLU 75 -4.568 -7.861 -4.054 555 2HG GLU 75 HG1 GLU 75 -6.033 -8.305 -4.933 556 H GLY 76 HN GLY 76 -10.021 -8.574 -3.606 557 1HA GLY 76 HA2 GLY 76 -10.893 -8.850 -0.966 558 2HA GLY 76 HA1 GLY 76 -11.350 -9.910 -2.293 559 H VAL 77 HN VAL 77 -8.484 -10.596 -2.737 560 HA VAL 77 HA VAL 77 -8.342 -12.728 -0.761 561 HB VAL 77 HB VAL 77 -8.002 -13.024 -3.295 562 1HG1 VAL 77 HG11 VAL 77 -5.643 -12.813 -4.028 563 2HG1 VAL 77 HG12 VAL 77 -5.306 -11.921 -2.545 564 3HG1 VAL 77 HG13 VAL 77 -6.438 -11.268 -3.729 565 1HG2 VAL 77 HG21 VAL 77 -7.638 -14.872 -1.874 566 2HG2 VAL 77 HG22 VAL 77 -6.170 -14.163 -1.197 567 3HG2 VAL 77 HG23 VAL 77 -6.183 -14.749 -2.862 568 H SER 78 HN SER 78 -6.484 -9.983 -1.909 569 HA SER 78 HA SER 78 -4.484 -10.378 0.171 570 1HB SER 78 HB2 SER 78 -4.348 -8.050 -1.683 571 2HB SER 78 HB1 SER 78 -3.058 -9.109 -1.121 572 HG SER 78 HG SER 78 -3.308 -9.744 -3.159 573 H ASN 79 HN ASN 79 -5.567 -9.786 2.048 574 HA ASN 79 HA ASN 79 -6.921 -7.223 2.186 575 1HB ASN 79 HB2 ASN 79 -7.411 -9.374 3.635 576 2HB ASN 79 HB1 ASN 79 -6.144 -8.708 4.660 577 1HD2 ASN 79 HD21 ASN 79 -6.584 -6.000 4.607 578 2HD2 ASN 79 HD22 ASN 79 -8.156 -5.651 5.226 579 H ILE 80 HN ILE 80 -6.107 -5.389 2.916 580 HA ILE 80 HA ILE 80 -3.232 -5.356 3.334 581 HB ILE 80 HB ILE 80 -5.040 -2.996 2.926 582 1HG1 ILE 80 HG12 ILE 80 -3.611 -4.535 0.759 583 2HG1 ILE 80 HG11 ILE 80 -5.322 -4.727 1.120 584 1HG2 ILE 80 HG21 ILE 80 -3.176 -1.834 3.070 585 2HG2 ILE 80 HG22 ILE 80 -2.480 -2.757 1.740 586 3HG2 ILE 80 HG23 ILE 80 -2.283 -3.316 3.400 587 1HD1 ILE 80 HD11 ILE 80 -4.043 -2.130 0.311 588 2HD1 ILE 80 HD12 ILE 80 -5.765 -2.459 0.503 589 3HD1 ILE 80 HD13 ILE 80 -4.857 -3.237 -0.795 590 H GLU 81 HN GLU 81 -2.232 -4.303 4.989 591 HA GLU 81 HA GLU 81 -3.772 -3.875 7.424 592 1HB GLU 81 HB2 GLU 81 -1.555 -5.105 7.457 593 2HB GLU 81 HB1 GLU 81 -0.786 -3.589 7.007 594 1HG GLU 81 HG1 GLU 81 -0.668 -3.027 9.136 595 2HG GLU 81 HG2 GLU 81 -2.427 -3.057 9.240 596 H VAL 82 HN VAL 82 -4.869 -2.190 6.216 597 HA VAL 82 HA VAL 82 -3.438 0.122 5.357 598 HB VAL 82 HB VAL 82 -6.407 -0.398 5.629 599 1HG1 VAL 82 HG21 VAL 82 -4.913 1.995 4.941 600 2HG1 VAL 82 HG22 VAL 82 -6.648 1.792 5.192 601 3HG1 VAL 82 HG23 VAL 82 -5.944 1.476 3.607 602 1HG2 VAL 82 HG11 VAL 82 -5.761 -1.917 4.054 603 2HG2 VAL 82 HG12 VAL 82 -4.399 -0.937 3.502 604 3HG2 VAL 82 HG13 VAL 82 -6.044 -0.503 3.035 605 H THR 83 HN THR 83 -2.691 -0.106 7.872 606 HA THR 83 HA THR 83 -4.021 2.145 9.187 607 HB THR 83 HB THR 83 -2.932 -0.120 10.829 608 HG1 THR 83 HG1 THR 83 -4.767 -1.212 10.668 609 1HG2 THR 83 HG21 THR 83 -3.581 2.124 11.815 610 2HG2 THR 83 HG22 THR 83 -4.280 0.682 12.551 611 3HG2 THR 83 HG23 THR 83 -5.246 1.669 11.455 612 H ASP 84 HN ASP 84 -1.320 1.238 7.701 613 HA ASP 84 HA ASP 84 0.598 2.018 9.730 614 1HB ASP 84 HB1 ASP 84 0.951 0.180 7.982 615 2HB ASP 84 HB2 ASP 84 1.193 1.486 6.827 616 H VAL 85 HN VAL 85 1.840 3.853 9.696 617 HA VAL 85 HA VAL 85 1.368 5.865 7.641 618 HB VAL 85 HB VAL 85 -0.315 6.104 9.586 619 1HG1 VAL 85 HG11 VAL 85 0.371 6.652 11.646 620 2HG1 VAL 85 HG12 VAL 85 1.624 7.737 11.044 621 3HG1 VAL 85 HG13 VAL 85 1.928 6.003 11.137 622 1HG2 VAL 85 HG21 VAL 85 0.708 8.726 9.546 623 2HG2 VAL 85 HG22 VAL 85 -0.574 8.046 8.545 624 3HG2 VAL 85 HG23 VAL 85 1.099 8.004 7.986 625 H ARG 86 HN ARG 86 2.809 7.778 7.942 626 HA ARG 86 HA ARG 86 5.181 7.331 9.564 627 1HB ARG 86 HB1 ARG 86 5.121 7.208 6.571 628 2HB ARG 86 HB2 ARG 86 6.545 7.841 7.385 629 1HG ARG 86 HG2 ARG 86 6.054 5.519 8.751 630 2HG ARG 86 HG1 ARG 86 5.622 5.101 7.092 631 1HD ARG 86 HD2 ARG 86 7.903 6.391 6.607 632 2HD ARG 86 HD1 ARG 86 8.251 5.834 8.245 633 HE ARG 86 HE ARG 86 7.335 3.610 6.975 634 1HH1 ARG 86 HH11 ARG 86 9.864 5.919 6.328 635 2HH1 ARG 86 HH12 ARG 86 10.878 4.774 5.515 636 1HH2 ARG 86 HH22 ARG 86 8.664 2.097 5.905 637 2HH2 ARG 86 HH21 ARG 86 10.196 2.603 5.274 638 H ARG 87 HN ARG 87 4.837 9.232 10.651 639 HA ARG 87 HA ARG 87 4.352 11.700 9.224 640 1HB ARG 87 HB1 ARG 87 4.503 10.866 12.075 641 2HB ARG 87 HB2 ARG 87 4.844 12.552 11.711 642 1HG ARG 87 HG1 ARG 87 2.399 11.327 10.551 643 2HG ARG 87 HG2 ARG 87 2.411 11.728 12.269 644 1HD ARG 87 HD2 ARG 87 2.851 14.019 11.817 645 2HD ARG 87 HD1 ARG 87 3.180 13.685 10.117 646 HE ARG 87 HE ARG 87 0.824 13.258 9.821 647 1HH1 ARG 87 HH22 ARG 87 1.741 14.752 12.832 648 2HH1 ARG 87 HH21 ARG 87 0.165 15.403 13.137 649 1HH2 ARG 87 HH11 ARG 87 -1.254 14.110 10.215 650 2HH2 ARG 87 HH12 ARG 87 -1.538 15.038 11.650 651 H LEU 88 HN LEU 88 6.215 11.949 7.923 652 HA LEU 88 HA LEU 88 8.822 11.998 9.169 653 1HB LEU 88 HB1 LEU 88 8.803 13.220 6.570 654 2HB LEU 88 HB2 LEU 88 9.619 11.769 7.112 655 HG LEU 88 HG LEU 88 6.733 11.805 6.256 656 1HD1 LEU 88 HD11 LEU 88 8.739 10.636 4.462 657 2HD1 LEU 88 HD12 LEU 88 8.797 12.396 4.597 658 3HD1 LEU 88 HD13 LEU 88 7.305 11.597 4.096 659 1HD2 LEU 88 HD21 LEU 88 8.397 9.394 6.034 660 2HD2 LEU 88 HD22 LEU 88 6.734 9.585 6.595 661 3HD2 LEU 88 HD23 LEU 88 8.080 9.943 7.683 662 H MET 89 HN MET 89 8.792 13.659 10.665 663 HA MET 89 HA MET 89 8.086 16.341 9.782 664 1HB MET 89 HB1 MET 89 8.385 16.978 12.117 665 2HB MET 89 HB2 MET 89 7.324 15.582 11.985 666 1HG MET 89 HG2 MET 89 9.890 14.531 12.272 667 2HG MET 89 HG1 MET 89 9.805 15.880 13.403 668 1HE MET 89 HE1 MET 89 7.541 15.977 15.311 669 2HE MET 89 HE2 MET 89 6.253 14.803 15.040 670 3HE MET 89 HE3 MET 89 6.714 15.920 13.754 Start of MODEL 7 1 1H MET 1 HT1 MET 1 11.048 16.038 7.309 2 2H MET 1 HT2 MET 1 10.018 16.943 6.276 3 3H MET 1 HT3 MET 1 9.403 15.586 7.128 4 HA MET 1 HA MET 1 9.561 16.642 9.160 5 1HB MET 1 HB1 MET 1 10.476 19.088 9.079 6 2HB MET 1 HB2 MET 1 11.605 17.741 9.147 7 1HG MET 1 HG2 MET 1 11.587 17.918 6.566 8 2HG MET 1 HG1 MET 1 10.929 19.528 6.852 9 1HE MET 1 HE1 MET 1 13.633 17.037 7.324 10 2HE MET 1 HE2 MET 1 15.105 17.949 7.658 11 3HE MET 1 HE3 MET 1 14.395 17.981 6.044 12 H GLY 2 HN GLY 2 7.919 16.700 6.595 13 1HA GLY 2 HA2 GLY 2 5.824 18.357 7.582 14 2HA GLY 2 HA1 GLY 2 6.620 19.122 6.215 15 H ASP 3 HN ASP 3 6.989 15.928 5.723 16 HA ASP 3 HA ASP 3 4.788 15.872 3.803 17 1HB ASP 3 HB1 ASP 3 6.925 13.769 4.073 18 2HB ASP 3 HB2 ASP 3 5.968 14.186 2.655 19 H VAL 4 HN VAL 4 3.026 14.628 4.021 20 HA VAL 4 HA VAL 4 2.840 12.905 6.376 21 HB VAL 4 HB VAL 4 0.501 13.202 4.584 22 1HG1 VAL 4 HG21 VAL 4 0.017 12.002 6.497 23 2HG1 VAL 4 HG22 VAL 4 -0.495 13.628 6.951 24 3HG1 VAL 4 HG23 VAL 4 1.055 13.003 7.513 25 1HG2 VAL 4 HG11 VAL 4 1.105 15.448 4.428 26 2HG2 VAL 4 HG12 VAL 4 1.734 15.492 6.075 27 3HG2 VAL 4 HG13 VAL 4 -0.007 15.411 5.797 28 H VAL 5 HN VAL 5 3.777 10.965 5.936 29 HA VAL 5 HA VAL 5 3.111 9.661 3.389 30 HB VAL 5 HB VAL 5 5.334 9.196 5.369 31 1HG1 VAL 5 HG11 VAL 5 4.140 7.316 3.502 32 2HG1 VAL 5 HG12 VAL 5 5.313 7.041 4.792 33 3HG1 VAL 5 HG13 VAL 5 5.859 7.572 3.201 34 1HG2 VAL 5 HG21 VAL 5 5.376 9.905 2.437 35 2HG2 VAL 5 HG22 VAL 5 6.772 9.769 3.507 36 3HG2 VAL 5 HG23 VAL 5 5.586 11.048 3.763 37 H ALA 6 HN ALA 6 1.685 8.059 3.337 38 HA ALA 6 HA ALA 6 0.909 6.737 5.846 39 1HB ALA 6 HB1 ALA 6 -1.169 6.829 5.058 40 2HB ALA 6 HB2 ALA 6 -0.695 5.894 3.637 41 3HB ALA 6 HB3 ALA 6 -0.575 7.655 3.617 42 H THR 7 HN THR 7 0.505 4.332 5.681 43 HA THR 7 HA THR 7 2.135 3.051 3.629 44 HB THR 7 HB THR 7 2.489 2.280 6.510 45 HG1 THR 7 HG1 THR 7 4.204 3.909 4.953 46 1HG2 THR 7 HG21 THR 7 3.168 0.517 5.120 47 2HG2 THR 7 HG22 THR 7 4.645 1.367 5.579 48 3HG2 THR 7 HG23 THR 7 3.947 1.615 3.974 49 H ILE 8 HN ILE 8 1.121 1.509 2.732 50 HA ILE 8 HA ILE 8 -1.010 0.065 4.160 51 HB ILE 8 HB ILE 8 -0.867 0.670 1.212 52 1HG1 ILE 8 HG12 ILE 8 -2.300 2.098 3.468 53 2HG1 ILE 8 HG11 ILE 8 -1.014 2.753 2.460 54 1HG2 ILE 8 HG21 ILE 8 -2.280 -1.127 1.433 55 2HG2 ILE 8 HG22 ILE 8 -3.398 0.234 1.559 56 3HG2 ILE 8 HG23 ILE 8 -2.865 -0.610 3.016 57 1HD1 ILE 8 HD11 ILE 8 -2.926 3.710 1.608 58 2HD1 ILE 8 HD12 ILE 8 -3.859 2.220 1.763 59 3HD1 ILE 8 HD13 ILE 8 -2.622 2.360 0.514 60 H LYS 9 HN LYS 9 -0.242 -1.950 4.617 61 HA LYS 9 HA LYS 9 1.648 -3.226 2.782 62 1HB LYS 9 HB1 LYS 9 0.988 -4.666 5.235 63 2HB LYS 9 HB2 LYS 9 2.551 -4.238 4.557 64 1HG LYS 9 HG2 LYS 9 1.178 -1.910 5.583 65 2HG LYS 9 HG1 LYS 9 1.344 -3.158 6.812 66 1HD LYS 9 HD2 LYS 9 3.653 -2.287 5.113 67 2HD LYS 9 HD1 LYS 9 3.218 -1.457 6.607 68 1HE LYS 9 HE2 LYS 9 3.979 -4.358 6.311 69 2HE LYS 9 HE1 LYS 9 4.946 -3.085 7.055 70 1HZ LYS 9 HZ1 LYS 9 2.381 -3.220 8.254 71 2HZ LYS 9 HZ2 LYS 9 3.903 -3.387 8.970 72 3HZ LYS 9 HZ3 LYS 9 3.129 -4.736 8.307 73 H VAL 10 HN VAL 10 0.397 -4.057 1.157 74 HA VAL 10 HA VAL 10 -1.895 -5.705 1.818 75 HB VAL 10 HB VAL 10 -2.671 -5.272 -0.232 76 1HG1 VAL 10 HG21 VAL 10 -0.981 -3.202 0.579 77 2HG1 VAL 10 HG22 VAL 10 -2.326 -3.106 -0.561 78 3HG1 VAL 10 HG23 VAL 10 -0.690 -3.400 -1.150 79 1HG2 VAL 10 HG11 VAL 10 -1.047 -5.211 -2.277 80 2HG2 VAL 10 HG12 VAL 10 -1.533 -6.751 -1.567 81 3HG2 VAL 10 HG13 VAL 10 0.043 -6.058 -1.179 82 H MET 11 HN MET 11 -2.060 -7.884 1.662 83 HA MET 11 HA MET 11 0.116 -9.398 0.449 84 1HB MET 11 HB2 MET 11 0.762 -10.577 2.338 85 2HB MET 11 HB1 MET 11 0.481 -8.971 2.987 86 1HG MET 11 HG1 MET 11 -1.270 -9.608 4.235 87 2HG MET 11 HG2 MET 11 -1.838 -10.778 3.048 88 1HE MET 11 HE1 MET 11 0.149 -13.895 3.624 89 2HE MET 11 HE2 MET 11 -0.667 -12.840 2.470 90 3HE MET 11 HE3 MET 11 -1.577 -13.572 3.793 91 HA PRO 12 HA PRO 12 -3.462 -11.670 -0.960 92 1HB PRO 12 HB1 PRO 12 -1.507 -13.551 -2.083 93 2HB PRO 12 HB2 PRO 12 -2.673 -12.517 -2.915 94 1HG PRO 12 HG1 PRO 12 -0.022 -12.050 -3.003 95 2HG PRO 12 HG2 PRO 12 -1.216 -10.738 -3.023 96 1HD PRO 12 HD2 PRO 12 0.441 -11.758 -0.741 97 2HD PRO 12 HD1 PRO 12 0.065 -10.083 -1.199 98 H GLU 13 HN GLU 13 -4.604 -13.041 0.235 99 HA GLU 13 HA GLU 13 -3.581 -14.557 2.341 100 1HB GLU 13 HB1 GLU 13 -6.178 -14.386 0.920 101 2HB GLU 13 HB2 GLU 13 -5.900 -15.832 1.882 102 1HG GLU 13 HG1 GLU 13 -5.313 -13.221 3.146 103 2HG GLU 13 HG2 GLU 13 -7.005 -13.639 2.880 104 H SER 14 HN SER 14 -4.071 -15.375 -1.023 105 HA SER 14 HA SER 14 -3.696 -18.195 -0.637 106 1HB SER 14 HB1 SER 14 -4.102 -18.413 -2.902 107 2HB SER 14 HB2 SER 14 -4.886 -16.865 -2.601 108 HG SER 14 HG SER 14 -2.814 -17.416 -4.207 109 HA PRO 15 HA PRO 15 0.710 -18.390 -0.727 110 1HB PRO 15 HB2 PRO 15 1.123 -20.736 -2.038 111 2HB PRO 15 HB1 PRO 15 0.556 -20.655 -0.366 112 1HG PRO 15 HG2 PRO 15 -1.006 -21.089 -2.882 113 2HG PRO 15 HG1 PRO 15 -1.164 -21.900 -1.313 114 1HD PRO 15 HD2 PRO 15 -2.831 -19.917 -2.106 115 2HD PRO 15 HD1 PRO 15 -2.395 -20.176 -0.405 116 H ASP 16 HN ASP 16 -1.170 -17.908 -3.421 117 HA ASP 16 HA ASP 16 1.029 -17.899 -5.341 118 1HB ASP 16 HB2 ASP 16 -1.937 -17.755 -5.516 119 2HB ASP 16 HB1 ASP 16 -1.025 -16.906 -6.760 120 H VAL 17 HN VAL 17 1.389 -16.198 -3.237 121 HA VAL 17 HA VAL 17 0.443 -13.577 -3.606 122 HB VAL 17 HB VAL 17 2.952 -14.545 -2.228 123 1HG1 VAL 17 HG21 VAL 17 3.470 -12.332 -2.416 124 2HG1 VAL 17 HG22 VAL 17 2.458 -12.262 -0.971 125 3HG1 VAL 17 HG23 VAL 17 1.784 -11.833 -2.545 126 1HG2 VAL 17 HG11 VAL 17 0.136 -14.508 -1.514 127 2HG2 VAL 17 HG12 VAL 17 1.151 -13.682 -0.330 128 3HG2 VAL 17 HG13 VAL 17 1.485 -15.360 -0.762 129 H ASP 18 HN ASP 18 0.743 -13.404 -5.979 130 HA ASP 18 HA ASP 18 3.392 -13.145 -7.059 131 1HB ASP 18 HB2 ASP 18 1.954 -11.909 -8.913 132 2HB ASP 18 HB1 ASP 18 1.932 -13.661 -8.759 133 H LEU 19 HN LEU 19 4.499 -11.631 -5.857 134 HA LEU 19 HA LEU 19 3.424 -9.185 -4.979 135 1HB LEU 19 HB2 LEU 19 5.506 -8.710 -4.130 136 2HB LEU 19 HB1 LEU 19 5.545 -10.459 -4.210 137 HG LEU 19 HG LEU 19 6.595 -9.729 -6.650 138 1HD1 LEU 19 HD11 LEU 19 7.825 -7.904 -4.601 139 2HD1 LEU 19 HD12 LEU 19 6.617 -7.364 -5.768 140 3HD1 LEU 19 HD13 LEU 19 8.168 -7.993 -6.329 141 1HD2 LEU 19 HD21 LEU 19 8.256 -11.039 -5.941 142 2HD2 LEU 19 HD22 LEU 19 7.327 -11.206 -4.451 143 3HD2 LEU 19 HD23 LEU 19 8.604 -9.995 -4.562 144 H GLU 20 HN GLU 20 5.335 -9.995 -7.863 145 HA GLU 20 HA GLU 20 5.542 -7.318 -8.766 146 1HB GLU 20 HB1 GLU 20 7.124 -8.795 -9.648 147 2HB GLU 20 HB2 GLU 20 5.913 -9.989 -10.089 148 1HG GLU 20 HG2 GLU 20 5.069 -8.138 -11.708 149 2HG GLU 20 HG1 GLU 20 6.681 -7.462 -11.479 150 H ALA 21 HN ALA 21 3.205 -9.877 -9.283 151 HA ALA 21 HA ALA 21 1.720 -8.476 -11.291 152 1HB ALA 21 HB1 ALA 21 1.685 -11.036 -10.446 153 2HB ALA 21 HB2 ALA 21 0.372 -10.285 -11.353 154 3HB ALA 21 HB3 ALA 21 0.276 -10.402 -9.596 155 H LEU 22 HN LEU 22 1.696 -8.716 -7.815 156 HA LEU 22 HA LEU 22 -0.694 -7.234 -7.358 157 1HB LEU 22 HB2 LEU 22 1.204 -8.625 -5.807 158 2HB LEU 22 HB1 LEU 22 1.233 -6.971 -5.230 159 HG LEU 22 HG LEU 22 -1.187 -8.772 -5.366 160 1HD1 LEU 22 HD11 LEU 22 0.118 -9.478 -3.557 161 2HD1 LEU 22 HD12 LEU 22 -1.065 -8.379 -2.849 162 3HD1 LEU 22 HD13 LEU 22 0.585 -7.830 -3.137 163 1HD2 LEU 22 HD21 LEU 22 -2.353 -6.960 -4.194 164 2HD2 LEU 22 HD22 LEU 22 -1.824 -6.470 -5.808 165 3HD2 LEU 22 HD23 LEU 22 -0.930 -5.933 -4.384 166 H LYS 23 HN LYS 23 2.588 -6.462 -8.062 167 HA LYS 23 HA LYS 23 2.809 -3.869 -7.068 168 1HB LYS 23 HB2 LYS 23 4.214 -5.562 -8.950 169 2HB LYS 23 HB1 LYS 23 4.151 -3.910 -9.542 170 1HG LYS 23 HG2 LYS 23 5.927 -3.517 -8.283 171 2HG LYS 23 HG1 LYS 23 4.860 -3.636 -6.880 172 1HD LYS 23 HD2 LYS 23 5.645 -5.673 -6.299 173 2HD LYS 23 HD1 LYS 23 5.851 -6.186 -7.975 174 1HE LYS 23 HE1 LYS 23 7.642 -4.109 -6.771 175 2HE LYS 23 HE2 LYS 23 7.950 -5.825 -6.513 176 1HZ LYS 23 HZ1 LYS 23 7.984 -6.102 -8.944 177 2HZ LYS 23 HZ2 LYS 23 9.198 -5.060 -8.394 178 3HZ LYS 23 HZ3 LYS 23 7.812 -4.429 -9.129 179 H LYS 24 HN LYS 24 1.591 -5.033 -10.194 180 HA LYS 24 HA LYS 24 0.995 -2.457 -11.223 181 1HB LYS 24 HB1 LYS 24 -0.613 -4.780 -12.136 182 2HB LYS 24 HB2 LYS 24 0.195 -3.528 -13.070 183 1HG LYS 24 HG2 LYS 24 2.369 -4.706 -12.261 184 2HG LYS 24 HG1 LYS 24 1.291 -6.073 -11.970 185 1HD LYS 24 HD1 LYS 24 0.939 -4.780 -14.578 186 2HD LYS 24 HD2 LYS 24 2.518 -5.530 -14.340 187 1HE LYS 24 HE2 LYS 24 0.971 -7.490 -13.393 188 2HE LYS 24 HE1 LYS 24 -0.167 -6.763 -14.527 189 1HZ LYS 24 HZ1 LYS 24 2.478 -7.954 -15.106 190 2HZ LYS 24 HZ2 LYS 24 1.701 -6.931 -16.206 191 3HZ LYS 24 HZ3 LYS 24 0.972 -8.385 -15.743 192 H GLU 25 HN GLU 25 -0.863 -4.840 -9.402 193 HA GLU 25 HA GLU 25 -3.370 -3.518 -9.616 194 1HB GLU 25 HB1 GLU 25 -2.241 -5.593 -7.761 195 2HB GLU 25 HB2 GLU 25 -3.810 -4.872 -7.433 196 1HG GLU 25 HG2 GLU 25 -4.037 -5.561 -10.065 197 2HG GLU 25 HG1 GLU 25 -3.030 -6.858 -9.422 198 H ILE 26 HN ILE 26 -0.619 -3.222 -7.515 199 HA ILE 26 HA ILE 26 -1.783 -1.660 -5.465 200 HB ILE 26 HB ILE 26 0.993 -2.251 -6.367 201 1HG1 ILE 26 HG12 ILE 26 0.259 -2.143 -3.510 202 2HG1 ILE 26 HG11 ILE 26 -0.673 -3.286 -4.474 203 1HG2 ILE 26 HG21 ILE 26 1.809 -0.648 -4.555 204 2HG2 ILE 26 HG22 ILE 26 0.235 0.133 -4.705 205 3HG2 ILE 26 HG23 ILE 26 1.317 0.055 -6.097 206 1HD1 ILE 26 HD11 ILE 26 2.211 -3.291 -3.788 207 2HD1 ILE 26 HD12 ILE 26 1.708 -3.998 -5.323 208 3HD1 ILE 26 HD13 ILE 26 1.047 -4.615 -3.808 209 H GLN 27 HN GLN 27 -0.279 -0.934 -8.548 210 HA GLN 27 HA GLN 27 -0.104 1.844 -8.337 211 1HB GLN 27 HB2 GLN 27 0.473 -0.073 -10.227 212 2HB GLN 27 HB1 GLN 27 -0.821 0.836 -10.987 213 1HG GLN 27 HG1 GLN 27 1.780 1.929 -9.949 214 2HG GLN 27 HG2 GLN 27 1.326 1.713 -11.640 215 1HE2 GLN 27 HE21 GLN 27 0.658 3.505 -8.703 216 2HE2 GLN 27 HE22 GLN 27 -0.073 4.868 -9.473 217 H GLU 28 HN GLU 28 -2.707 -0.269 -9.420 218 HA GLU 28 HA GLU 28 -4.450 1.876 -10.175 219 1HB GLU 28 HB1 GLU 28 -5.333 -0.940 -9.604 220 2HB GLU 28 HB2 GLU 28 -6.010 0.211 -10.750 221 1HG GLU 28 HG2 GLU 28 -4.102 -0.017 -12.187 222 2HG GLU 28 HG1 GLU 28 -3.284 -1.034 -11.001 223 H ARG 29 HN ARG 29 -3.739 0.265 -7.224 224 HA ARG 29 HA ARG 29 -6.271 0.970 -5.997 225 1HB ARG 29 HB2 ARG 29 -5.630 -0.335 -4.181 226 2HB ARG 29 HB1 ARG 29 -4.915 -1.168 -5.553 227 1HG ARG 29 HG1 ARG 29 -2.757 -0.264 -5.052 228 2HG ARG 29 HG2 ARG 29 -3.430 0.760 -3.781 229 1HD ARG 29 HD1 ARG 29 -4.218 -1.412 -2.694 230 2HD ARG 29 HD2 ARG 29 -3.152 -2.234 -3.832 231 HE ARG 29 HE ARG 29 -1.430 -1.689 -2.461 232 1HH1 ARG 29 HH21 ARG 29 -3.926 0.712 -2.045 233 2HH1 ARG 29 HH22 ARG 29 -3.052 1.591 -0.836 234 1HH2 ARG 29 HH12 ARG 29 -0.281 -0.538 -0.874 235 2HH2 ARG 29 HH11 ARG 29 -0.982 0.882 -0.173 236 H ILE 30 HN ILE 30 -3.230 2.425 -6.457 237 HA ILE 30 HA ILE 30 -2.918 3.872 -4.076 238 HB ILE 30 HB ILE 30 -2.131 4.636 -6.887 239 1HG1 ILE 30 HG11 ILE 30 -1.135 2.553 -5.871 240 2HG1 ILE 30 HG12 ILE 30 0.032 3.778 -6.343 241 1HG2 ILE 30 HG21 ILE 30 -1.278 6.575 -6.178 242 2HG2 ILE 30 HG22 ILE 30 -0.604 5.849 -4.718 243 3HG2 ILE 30 HG23 ILE 30 -2.294 6.363 -4.750 244 1HD1 ILE 30 HD11 ILE 30 0.630 4.233 -4.194 245 2HD1 ILE 30 HD12 ILE 30 0.205 2.528 -4.044 246 3HD1 ILE 30 HD13 ILE 30 -0.942 3.770 -3.540 247 HA PRO 31 HA PRO 31 -6.351 6.682 -3.937 248 1HB PRO 31 HB2 PRO 31 -4.882 8.869 -2.976 249 2HB PRO 31 HB1 PRO 31 -5.728 7.667 -2.007 250 1HG PRO 31 HG1 PRO 31 -2.849 7.835 -2.725 251 2HG PRO 31 HG2 PRO 31 -3.616 7.255 -1.238 252 1HD PRO 31 HD1 PRO 31 -2.600 5.542 -3.014 253 2HD PRO 31 HD2 PRO 31 -4.105 5.180 -2.143 254 H GLU 32 HN GLU 32 -7.192 7.698 -5.574 255 HA GLU 32 HA GLU 32 -5.776 8.620 -7.816 256 1HB GLU 32 HB1 GLU 32 -8.596 8.797 -6.871 257 2HB GLU 32 HB2 GLU 32 -8.099 9.860 -8.179 258 1HG GLU 32 HG2 GLU 32 -7.891 6.858 -8.168 259 2HG GLU 32 HG1 GLU 32 -9.099 7.814 -9.024 260 H GLY 33 HN GLY 33 -5.915 10.034 -4.824 261 1HA GLY 33 HA1 GLY 33 -6.153 12.780 -5.679 262 2HA GLY 33 HA2 GLY 33 -5.781 12.220 -4.057 263 H THR 34 HN THR 34 -3.510 11.025 -4.040 264 HA THR 34 HA THR 34 -1.636 12.912 -5.302 265 HB THR 34 HB THR 34 -0.671 11.266 -3.055 266 HG1 THR 34 HG1 THR 34 -2.362 11.690 -1.883 267 1HG2 THR 34 HG21 THR 34 -0.221 13.816 -2.345 268 2HG2 THR 34 HG22 THR 34 -0.289 13.980 -4.099 269 3HG2 THR 34 HG23 THR 34 0.861 12.865 -3.362 270 H GLU 35 HN GLU 35 0.571 11.111 -4.323 271 HA GLU 35 HA GLU 35 0.333 8.933 -6.284 272 1HB GLU 35 HB1 GLU 35 2.859 10.536 -5.906 273 2HB GLU 35 HB2 GLU 35 2.498 9.364 -7.165 274 1HG GLU 35 HG1 GLU 35 1.471 10.874 -8.448 275 2HG GLU 35 HG2 GLU 35 0.644 11.619 -7.080 276 H LEU 36 HN LEU 36 2.229 7.376 -6.001 277 HA LEU 36 HA LEU 36 2.156 6.459 -3.298 278 1HB LEU 36 HB1 LEU 36 3.879 4.759 -4.295 279 2HB LEU 36 HB2 LEU 36 2.188 4.681 -4.743 280 HG LEU 36 HG LEU 36 3.939 6.326 -6.480 281 1HD1 LEU 36 HD11 LEU 36 3.955 3.371 -6.895 282 2HD1 LEU 36 HD12 LEU 36 5.135 4.108 -5.812 283 3HD1 LEU 36 HD13 LEU 36 5.065 4.599 -7.505 284 1HD2 LEU 36 HD21 LEU 36 2.265 4.331 -7.722 285 2HD2 LEU 36 HD22 LEU 36 2.229 6.087 -7.876 286 3HD2 LEU 36 HD23 LEU 36 1.355 5.300 -6.563 287 H HIS 37 HN HIS 37 4.530 5.433 -2.660 288 HA HIS 37 HA HIS 37 6.438 7.673 -2.638 289 1HB HIS 37 HB1 HIS 37 5.249 7.637 -0.511 290 2HB HIS 37 HB2 HIS 37 5.593 5.931 -0.316 291 HD2 HIS 37 HD2 HIS 37 7.901 5.328 0.939 292 HE1 HIS 37 HE1 HIS 37 9.489 9.254 0.955 293 HE2 HIS 37 HE2 HIS 37 9.810 6.876 1.776 294 H LYS 38 HN LYS 38 6.394 4.496 -1.142 295 HA LYS 38 HA LYS 38 8.214 3.304 -2.992 296 1HB LYS 38 HB2 LYS 38 10.105 4.102 -2.084 297 2HB LYS 38 HB1 LYS 38 9.253 4.761 -0.701 298 1HG LYS 38 HG2 LYS 38 10.758 3.271 0.233 299 2HG LYS 38 HG1 LYS 38 9.243 2.367 0.201 300 1HD LYS 38 HD1 LYS 38 9.947 0.996 -1.527 301 2HD LYS 38 HD2 LYS 38 11.151 2.157 -2.093 302 1HE LYS 38 HE2 LYS 38 11.996 1.589 0.460 303 2HE LYS 38 HE1 LYS 38 11.381 0.035 -0.103 304 1HZ LYS 38 HZ1 LYS 38 12.871 0.027 -1.896 305 2HZ LYS 38 HZ2 LYS 38 13.793 0.527 -0.568 306 3HZ LYS 38 HZ3 LYS 38 13.264 1.661 -1.705 307 H ILE 39 HN ILE 39 7.790 1.196 -2.993 308 HA ILE 39 HA ILE 39 6.147 0.120 -0.851 309 HB ILE 39 HB ILE 39 6.909 -1.342 -3.358 310 1HG1 ILE 39 HG11 ILE 39 4.858 0.833 -2.945 311 2HG1 ILE 39 HG12 ILE 39 6.068 0.700 -4.215 312 1HG2 ILE 39 HG21 ILE 39 5.838 -2.679 -1.672 313 2HG2 ILE 39 HG22 ILE 39 4.686 -2.387 -2.974 314 3HG2 ILE 39 HG23 ILE 39 4.564 -1.477 -1.468 315 1HD1 ILE 39 HD11 ILE 39 3.428 -0.638 -3.963 316 2HD1 ILE 39 HD12 ILE 39 4.717 -1.437 -4.866 317 3HD1 ILE 39 HD13 ILE 39 4.162 0.166 -5.352 318 H ASP 40 HN ASP 40 6.547 -1.922 0.133 319 HA ASP 40 HA ASP 40 9.403 -2.651 0.226 320 1HB ASP 40 HB1 ASP 40 7.935 -1.575 2.272 321 2HB ASP 40 HB2 ASP 40 7.767 -3.301 2.581 322 H GLU 41 HN GLU 41 9.899 -4.727 -0.144 323 HA GLU 41 HA GLU 41 7.720 -6.628 -0.565 324 1HB GLU 41 HB1 GLU 41 10.680 -7.019 -1.057 325 2HB GLU 41 HB2 GLU 41 9.369 -8.039 -1.633 326 1HG GLU 41 HG1 GLU 41 9.048 -6.774 -3.426 327 2HG GLU 41 HG2 GLU 41 9.036 -5.292 -2.471 328 H GLU 42 HN GLU 42 7.365 -6.513 1.839 329 HA GLU 42 HA GLU 42 9.309 -8.085 3.354 330 1HB GLU 42 HB1 GLU 42 7.430 -5.952 4.010 331 2HB GLU 42 HB2 GLU 42 7.387 -7.288 5.153 332 1HG GLU 42 HG1 GLU 42 9.066 -5.226 5.363 333 2HG GLU 42 HG2 GLU 42 9.437 -6.849 5.961 334 HA PRO 43 HA PRO 43 6.553 -11.505 3.391 335 1HB PRO 43 HB1 PRO 43 7.940 -12.997 5.248 336 2HB PRO 43 HB2 PRO 43 8.380 -12.834 3.547 337 1HG PRO 43 HG2 PRO 43 9.763 -11.820 5.867 338 2HG PRO 43 HG1 PRO 43 10.254 -11.735 4.169 339 1HD PRO 43 HD1 PRO 43 9.007 -9.676 5.852 340 2HD PRO 43 HD2 PRO 43 9.873 -9.500 4.315 341 H ILE 44 HN ILE 44 5.064 -12.686 4.603 342 HA ILE 44 HA ILE 44 4.461 -11.610 7.277 343 HB ILE 44 HB ILE 44 2.289 -12.543 5.445 344 1HG1 ILE 44 HG12 ILE 44 3.592 -10.870 4.172 345 2HG1 ILE 44 HG11 ILE 44 1.996 -10.263 4.606 346 1HG2 ILE 44 HG21 ILE 44 1.459 -12.210 7.579 347 2HG2 ILE 44 HG22 ILE 44 1.123 -10.664 6.802 348 3HG2 ILE 44 HG23 ILE 44 2.508 -10.824 7.883 349 1HD1 ILE 44 HD11 ILE 44 4.597 -9.207 5.237 350 2HD1 ILE 44 HD12 ILE 44 3.646 -9.471 6.699 351 3HD1 ILE 44 HD13 ILE 44 3.007 -8.461 5.403 352 H ALA 45 HN ALA 45 2.805 -14.109 5.411 353 HA ALA 45 HA ALA 45 2.738 -15.915 7.597 354 1HB ALA 45 HB1 ALA 45 1.306 -15.673 5.325 355 2HB ALA 45 HB2 ALA 45 1.321 -17.122 6.329 356 3HB ALA 45 HB3 ALA 45 2.350 -17.029 4.900 357 H PHE 46 HN PHE 46 3.297 -18.342 6.021 358 HA PHE 46 HA PHE 46 6.046 -18.635 6.717 359 1HB PHE 46 HB2 PHE 46 3.921 -20.380 5.576 360 2HB PHE 46 HB1 PHE 46 5.592 -20.863 5.304 361 HD1 PHE 46 HD1 PHE 46 6.574 -22.243 6.845 362 HD2 PHE 46 HD2 PHE 46 3.401 -19.693 8.087 363 HE1 PHE 46 HE1 PHE 46 6.655 -23.242 9.092 364 HE2 PHE 46 HE2 PHE 46 3.477 -20.687 10.336 365 HZ PHE 46 HZ PHE 46 5.106 -22.464 10.842 366 H GLY 47 HN GLY 47 4.314 -17.916 3.783 367 1HA GLY 47 HA1 GLY 47 6.857 -17.375 2.455 368 2HA GLY 47 HA2 GLY 47 5.818 -18.572 1.698 369 H LEU 48 HN LEU 48 3.887 -16.314 3.210 370 HA LEU 48 HA LEU 48 3.281 -15.069 0.647 371 1HB LEU 48 HB2 LEU 48 1.795 -14.634 3.225 372 2HB LEU 48 HB1 LEU 48 1.216 -14.395 1.589 373 HG LEU 48 HG LEU 48 1.529 -16.947 3.124 374 1HD1 LEU 48 HD11 LEU 48 -0.679 -16.753 3.191 375 2HD1 LEU 48 HD12 LEU 48 -0.722 -16.908 1.433 376 3HD1 LEU 48 HD13 LEU 48 -0.617 -15.311 2.177 377 1HD2 LEU 48 HD21 LEU 48 1.411 -16.720 0.121 378 2HD2 LEU 48 HD22 LEU 48 1.184 -18.209 1.040 379 3HD2 LEU 48 HD23 LEU 48 2.740 -17.379 1.076 380 H VAL 49 HN VAL 49 4.624 -13.437 0.208 381 HA VAL 49 HA VAL 49 5.434 -11.576 2.283 382 HB VAL 49 HB VAL 49 6.243 -11.944 -0.589 383 1HG1 VAL 49 HG21 VAL 49 7.913 -10.058 0.790 384 2HG1 VAL 49 HG22 VAL 49 6.245 -9.484 0.745 385 3HG1 VAL 49 HG23 VAL 49 7.077 -9.895 -0.755 386 1HG2 VAL 49 HG11 VAL 49 7.618 -13.391 0.413 387 2HG2 VAL 49 HG12 VAL 49 7.286 -12.732 2.015 388 3HG2 VAL 49 HG13 VAL 49 8.490 -11.966 0.978 389 H ALA 50 HN ALA 50 4.536 -9.672 2.629 390 HA ALA 50 HA ALA 50 2.518 -8.654 0.797 391 1HB ALA 50 HB1 ALA 50 2.084 -8.815 3.241 392 2HB ALA 50 HB2 ALA 50 1.881 -7.186 2.594 393 3HB ALA 50 HB3 ALA 50 3.337 -7.601 3.501 394 H LEU 51 HN LEU 51 2.441 -6.287 0.440 395 HA LEU 51 HA LEU 51 5.134 -5.153 0.093 396 1HB LEU 51 HB1 LEU 51 2.778 -5.253 -1.743 397 2HB LEU 51 HB2 LEU 51 3.829 -3.852 -1.809 398 HG LEU 51 HG LEU 51 5.754 -5.371 -2.245 399 1HD1 LEU 51 HD11 LEU 51 4.832 -7.382 -1.205 400 2HD1 LEU 51 HD12 LEU 51 5.320 -7.682 -2.874 401 3HD1 LEU 51 HD13 LEU 51 3.614 -7.482 -2.476 402 1HD2 LEU 51 HD21 LEU 51 5.197 -5.815 -4.556 403 2HD2 LEU 51 HD22 LEU 51 4.537 -4.253 -4.068 404 3HD2 LEU 51 HD23 LEU 51 3.477 -5.657 -4.199 405 H ASN 52 HN ASN 52 5.454 -3.411 1.284 406 HA ASN 52 HA ASN 52 3.182 -2.010 2.450 407 1HB ASN 52 HB1 ASN 52 6.061 -1.279 2.928 408 2HB ASN 52 HB2 ASN 52 4.683 -1.132 4.015 409 1HD2 ASN 52 HD22 ASN 52 3.765 -3.859 3.383 410 2HD2 ASN 52 HD21 ASN 52 4.825 -4.914 4.246 411 H VAL 53 HN VAL 53 2.347 -0.922 0.732 412 HA VAL 53 HA VAL 53 3.993 0.810 -0.880 413 HB VAL 53 HB VAL 53 0.986 0.652 -0.911 414 1HG1 VAL 53 HG21 VAL 53 2.827 1.169 -3.223 415 2HG1 VAL 53 HG22 VAL 53 2.306 2.468 -2.151 416 3HG1 VAL 53 HG23 VAL 53 1.112 1.547 -3.068 417 1HG2 VAL 53 HG11 VAL 53 2.440 -1.566 -1.164 418 2HG2 VAL 53 HG12 VAL 53 2.571 -0.967 -2.817 419 3HG2 VAL 53 HG13 VAL 53 0.983 -1.272 -2.112 420 H MET 54 HN MET 54 4.727 2.496 0.305 421 HA MET 54 HA MET 54 2.943 4.080 1.938 422 1HB MET 54 HB1 MET 54 5.818 4.604 1.144 423 2HB MET 54 HB2 MET 54 4.927 5.429 2.414 424 1HG MET 54 HG1 MET 54 4.903 3.518 3.782 425 2HG MET 54 HG2 MET 54 5.402 2.469 2.456 426 1HE MET 54 HE1 MET 54 7.704 1.334 3.258 427 2HE MET 54 HE2 MET 54 6.811 1.751 4.720 428 3HE MET 54 HE3 MET 54 8.537 2.099 4.611 429 H VAL 55 HN VAL 55 2.800 6.453 1.613 430 HA VAL 55 HA VAL 55 2.954 7.240 -1.209 431 HB VAL 55 HB VAL 55 0.727 8.023 -1.308 432 1HG1 VAL 55 HG11 VAL 55 0.927 5.632 -1.652 433 2HG1 VAL 55 HG12 VAL 55 -0.610 6.010 -0.875 434 3HG1 VAL 55 HG13 VAL 55 0.720 5.350 0.077 435 1HG2 VAL 55 HG21 VAL 55 0.832 7.808 1.640 436 2HG2 VAL 55 HG22 VAL 55 -0.721 7.490 0.867 437 3HG2 VAL 55 HG23 VAL 55 0.087 9.038 0.617 438 H VAL 56 HN VAL 56 3.556 9.311 -1.548 439 HA VAL 56 HA VAL 56 4.100 10.940 0.830 440 HB VAL 56 HB VAL 56 5.019 12.107 -1.660 441 1HG1 VAL 56 HG11 VAL 56 6.957 11.117 0.314 442 2HG1 VAL 56 HG12 VAL 56 5.718 12.196 0.954 443 3HG1 VAL 56 HG13 VAL 56 6.753 12.729 -0.371 444 1HG2 VAL 56 HG21 VAL 56 5.097 9.757 -2.385 445 2HG2 VAL 56 HG22 VAL 56 6.111 9.377 -0.994 446 3HG2 VAL 56 HG23 VAL 56 6.704 10.470 -2.244 447 H VAL 57 HN VAL 57 2.575 12.360 1.380 448 HA VAL 57 HA VAL 57 1.272 13.889 -0.769 449 HB VAL 57 HB VAL 57 -0.847 13.838 0.284 450 1HG1 VAL 57 HG21 VAL 57 -0.187 10.998 0.753 451 2HG1 VAL 57 HG22 VAL 57 0.225 11.651 -0.832 452 3HG1 VAL 57 HG23 VAL 57 -1.439 11.724 -0.255 453 1HG2 VAL 57 HG11 VAL 57 0.010 12.090 2.531 454 2HG2 VAL 57 HG12 VAL 57 -1.322 13.241 2.438 455 3HG2 VAL 57 HG13 VAL 57 0.331 13.820 2.644 456 H GLY 58 HN GLY 58 0.905 16.055 -0.368 457 1HA GLY 58 HA2 GLY 58 1.261 17.237 2.209 458 2HA GLY 58 HA1 GLY 58 2.683 17.453 1.201 459 H ASP 59 HN ASP 59 2.098 18.240 -1.108 460 HA ASP 59 HA ASP 59 0.634 20.701 -0.769 461 1HB ASP 59 HB2 ASP 59 1.477 21.311 -2.936 462 2HB ASP 59 HB1 ASP 59 2.789 20.534 -2.055 463 H ALA 60 HN ALA 60 -0.175 17.594 -1.586 464 HA ALA 60 HA ALA 60 -2.069 18.000 -3.657 465 1HB ALA 60 HB1 ALA 60 -0.934 15.824 -2.625 466 2HB ALA 60 HB2 ALA 60 -2.461 15.771 -3.507 467 3HB ALA 60 HB3 ALA 60 -2.460 15.777 -1.742 468 H GLU 61 HN GLU 61 -4.194 16.445 -2.206 469 HA GLU 61 HA GLU 61 -5.253 18.399 -0.327 470 1HB GLU 61 HB1 GLU 61 -7.492 18.067 -1.770 471 2HB GLU 61 HB2 GLU 61 -6.375 19.398 -2.033 472 1HG GLU 61 HG1 GLU 61 -5.294 17.509 -3.637 473 2HG GLU 61 HG2 GLU 61 -7.004 17.088 -3.730 474 H GLY 62 HN GLY 62 -7.865 17.435 -0.222 475 1HA GLY 62 HA1 GLY 62 -7.430 14.954 1.202 476 2HA GLY 62 HA2 GLY 62 -8.943 15.847 1.092 477 H GLY 63 HN GLY 63 -7.441 15.367 -1.899 478 1HA GLY 63 HA2 GLY 63 -9.567 13.741 -2.868 479 2HA GLY 63 HA1 GLY 63 -8.117 14.185 -3.753 480 H THR 64 HN THR 64 -6.905 12.905 -1.046 481 HA THR 64 HA THR 64 -6.252 10.421 -2.320 482 HB THR 64 HB THR 64 -4.676 10.136 -0.681 483 HG1 THR 64 HG1 THR 64 -5.056 11.082 1.489 484 1HG2 THR 64 HG21 THR 64 -4.299 12.385 -1.582 485 2HG2 THR 64 HG22 THR 64 -3.743 12.216 0.083 486 3HG2 THR 64 HG23 THR 64 -5.255 13.056 -0.261 487 H GLU 65 HN GLU 65 -8.918 11.456 -0.708 488 HA GLU 65 HA GLU 65 -9.646 9.394 1.026 489 1HB GLU 65 HB2 GLU 65 -11.989 10.055 0.440 490 2HB GLU 65 HB1 GLU 65 -10.959 11.398 0.909 491 1HG GLU 65 HG2 GLU 65 -10.905 12.279 -1.204 492 2HG GLU 65 HG1 GLU 65 -11.233 10.728 -1.974 493 H ALA 66 HN ALA 66 -9.382 9.528 -2.373 494 HA ALA 66 HA ALA 66 -11.127 7.545 -3.230 495 1HB ALA 66 HB1 ALA 66 -10.257 8.401 -5.102 496 2HB ALA 66 HB2 ALA 66 -8.955 7.231 -4.886 497 3HB ALA 66 HB3 ALA 66 -8.766 8.880 -4.292 498 H ALA 67 HN ALA 67 -8.043 7.278 -1.623 499 HA ALA 67 HA ALA 67 -7.445 4.607 -2.211 500 1HB ALA 67 HB1 ALA 67 -6.353 6.634 -0.604 501 2HB ALA 67 HB2 ALA 67 -5.648 5.063 -0.988 502 3HB ALA 67 HB3 ALA 67 -6.633 5.256 0.461 503 H GLU 68 HN GLU 68 -9.123 5.991 0.614 504 HA GLU 68 HA GLU 68 -9.791 3.566 1.843 505 1HB GLU 68 HB1 GLU 68 -11.371 6.146 1.890 506 2HB GLU 68 HB2 GLU 68 -11.488 4.836 3.056 507 1HG GLU 68 HG2 GLU 68 -9.079 5.241 3.609 508 2HG GLU 68 HG1 GLU 68 -9.162 6.684 2.600 509 H GLU 69 HN GLU 69 -11.352 5.405 -0.713 510 HA GLU 69 HA GLU 69 -13.793 4.002 -0.810 511 1HB GLU 69 HB1 GLU 69 -12.726 6.153 -2.134 512 2HB GLU 69 HB2 GLU 69 -12.722 4.923 -3.390 513 1HG GLU 69 HG2 GLU 69 -15.226 4.710 -2.205 514 2HG GLU 69 HG1 GLU 69 -14.916 6.442 -2.304 515 H SER 70 HN SER 70 -10.760 3.593 -2.594 516 HA SER 70 HA SER 70 -11.565 1.326 -4.073 517 1HB SER 70 HB2 SER 70 -9.463 1.395 -4.956 518 2HB SER 70 HB1 SER 70 -9.419 2.978 -4.178 519 HG SER 70 HG SER 70 -8.043 0.684 -3.574 520 H LEU 71 HN LEU 71 -10.589 1.770 -0.815 521 HA LEU 71 HA LEU 71 -9.635 -0.872 -0.327 522 1HB LEU 71 HB2 LEU 71 -9.932 1.570 1.126 523 2HB LEU 71 HB1 LEU 71 -10.623 0.268 2.072 524 HG LEU 71 HG LEU 71 -8.328 0.573 2.720 525 1HD1 LEU 71 HD11 LEU 71 -9.086 -1.712 2.728 526 2HD1 LEU 71 HD12 LEU 71 -7.401 -1.660 2.208 527 3HD1 LEU 71 HD13 LEU 71 -8.684 -1.889 1.020 528 1HD2 LEU 71 HD21 LEU 71 -6.931 1.441 1.224 529 2HD2 LEU 71 HD22 LEU 71 -7.942 0.929 -0.128 530 3HD2 LEU 71 HD23 LEU 71 -6.768 -0.189 0.567 531 H SER 72 HN SER 72 -12.755 0.663 -0.309 532 HA SER 72 HA SER 72 -14.172 -1.250 1.208 533 1HB SER 72 HB2 SER 72 -15.992 0.027 0.746 534 2HB SER 72 HB1 SER 72 -14.796 1.164 0.122 535 HG SER 72 HG SER 72 -15.965 0.963 -1.628 536 H GLY 73 HN GLY 73 -12.744 -1.446 -1.843 537 1HA GLY 73 HA2 GLY 73 -13.960 -4.057 -2.292 538 2HA GLY 73 HA1 GLY 73 -14.197 -2.860 -3.557 539 H ILE 74 HN ILE 74 -11.316 -2.939 -1.649 540 HA ILE 74 HA ILE 74 -9.654 -3.148 -3.953 541 HB ILE 74 HB ILE 74 -9.235 -1.929 -1.689 542 1HG1 ILE 74 HG12 ILE 74 -6.804 -3.374 -2.652 543 2HG1 ILE 74 HG11 ILE 74 -7.687 -2.356 -3.786 544 1HG2 ILE 74 HG21 ILE 74 -7.711 -4.385 -0.968 545 2HG2 ILE 74 HG22 ILE 74 -9.410 -4.248 -0.514 546 3HG2 ILE 74 HG23 ILE 74 -8.246 -3.048 0.050 547 1HD1 ILE 74 HD11 ILE 74 -6.865 -0.497 -2.899 548 2HD1 ILE 74 HD12 ILE 74 -5.719 -1.538 -2.056 549 3HD1 ILE 74 HD13 ILE 74 -7.205 -1.030 -1.253 550 H GLU 75 HN GLU 75 -7.529 -4.724 -3.049 551 HA GLU 75 HA GLU 75 -8.094 -7.237 -4.046 552 1HB GLU 75 HB1 GLU 75 -5.975 -7.891 -2.722 553 2HB GLU 75 HB2 GLU 75 -5.830 -6.620 -3.932 554 1HG GLU 75 HG1 GLU 75 -6.511 -5.521 -1.359 555 2HG GLU 75 HG2 GLU 75 -5.047 -6.499 -1.276 556 H GLY 76 HN GLY 76 -9.963 -8.117 -3.186 557 1HA GLY 76 HA1 GLY 76 -10.567 -8.346 -0.452 558 2HA GLY 76 HA2 GLY 76 -11.263 -9.324 -1.734 559 H VAL 77 HN VAL 77 -8.516 -10.257 -2.494 560 HA VAL 77 HA VAL 77 -8.412 -12.479 -0.623 561 HB VAL 77 HB VAL 77 -8.207 -12.639 -3.191 562 1HG1 VAL 77 HG11 VAL 77 -6.483 -10.947 -3.480 563 2HG1 VAL 77 HG12 VAL 77 -5.941 -12.515 -4.076 564 3HG1 VAL 77 HG13 VAL 77 -5.362 -11.915 -2.521 565 1HG2 VAL 77 HG21 VAL 77 -7.933 -14.564 -1.785 566 2HG2 VAL 77 HG22 VAL 77 -6.312 -14.050 -1.314 567 3HG2 VAL 77 HG23 VAL 77 -6.628 -14.568 -2.972 568 H SER 78 HN SER 78 -6.524 -9.738 -1.627 569 HA SER 78 HA SER 78 -4.372 -10.425 0.208 570 1HB SER 78 HB2 SER 78 -4.267 -7.861 -1.271 571 2HB SER 78 HB1 SER 78 -3.026 -9.098 -1.080 572 HG SER 78 HG SER 78 -3.530 -9.592 -3.055 573 H ASN 79 HN ASN 79 -5.330 -10.072 2.233 574 HA ASN 79 HA ASN 79 -6.617 -7.567 2.828 575 1HB ASN 79 HB2 ASN 79 -7.423 -9.176 4.268 576 2HB ASN 79 HB1 ASN 79 -5.864 -9.973 4.424 577 1HD2 ASN 79 HD21 ASN 79 -6.576 -6.492 4.940 578 2HD2 ASN 79 HD22 ASN 79 -6.152 -6.513 6.613 579 H ILE 80 HN ILE 80 -5.721 -5.779 3.467 580 HA ILE 80 HA ILE 80 -2.827 -5.716 3.632 581 HB ILE 80 HB ILE 80 -4.766 -3.423 3.461 582 1HG1 ILE 80 HG11 ILE 80 -3.644 -3.712 0.958 583 2HG1 ILE 80 HG12 ILE 80 -3.947 -5.377 1.447 584 1HG2 ILE 80 HG21 ILE 80 -1.995 -3.539 3.843 585 2HG2 ILE 80 HG22 ILE 80 -2.993 -2.120 3.527 586 3HG2 ILE 80 HG23 ILE 80 -2.256 -2.995 2.186 587 1HD1 ILE 80 HD11 ILE 80 -6.196 -5.128 1.395 588 2HD1 ILE 80 HD12 ILE 80 -5.756 -3.914 0.194 589 3HD1 ILE 80 HD13 ILE 80 -6.132 -3.425 1.846 590 H GLU 81 HN GLU 81 -1.699 -4.606 5.197 591 HA GLU 81 HA GLU 81 -2.984 -4.388 7.802 592 1HB GLU 81 HB2 GLU 81 -0.749 -5.463 7.657 593 2HB GLU 81 HB1 GLU 81 -0.091 -3.972 6.997 594 1HG GLU 81 HG1 GLU 81 0.500 -3.979 9.264 595 2HG GLU 81 HG2 GLU 81 -0.847 -2.849 9.130 596 H VAL 82 HN VAL 82 -4.324 -2.746 6.779 597 HA VAL 82 HA VAL 82 -3.136 -0.274 5.949 598 HB VAL 82 HB VAL 82 -6.043 -0.996 6.415 599 1HG1 VAL 82 HG21 VAL 82 -5.871 0.960 4.447 600 2HG1 VAL 82 HG22 VAL 82 -4.703 1.478 5.665 601 3HG1 VAL 82 HG23 VAL 82 -6.387 1.205 6.116 602 1HG2 VAL 82 HG11 VAL 82 -5.854 -0.961 3.780 603 2HG2 VAL 82 HG12 VAL 82 -5.528 -2.417 4.724 604 3HG2 VAL 82 HG13 VAL 82 -4.191 -1.420 4.142 605 H THR 83 HN THR 83 -2.147 -0.517 8.335 606 HA THR 83 HA THR 83 -3.652 1.404 9.958 607 HB THR 83 HB THR 83 -2.086 -0.799 11.269 608 HG1 THR 83 HG1 THR 83 -4.614 -0.939 10.107 609 1HG2 THR 83 HG21 THR 83 -4.566 0.311 12.414 610 2HG2 THR 83 HG22 THR 83 -3.151 1.363 12.386 611 3HG2 THR 83 HG23 THR 83 -3.072 -0.198 13.202 612 H ASP 84 HN ASP 84 -0.914 0.947 8.224 613 HA ASP 84 HA ASP 84 0.948 1.986 10.195 614 1HB ASP 84 HB2 ASP 84 1.309 1.371 7.259 615 2HB ASP 84 HB1 ASP 84 2.593 1.868 8.357 616 H VAL 85 HN VAL 85 1.789 4.014 10.231 617 HA VAL 85 HA VAL 85 0.928 5.975 8.249 618 HB VAL 85 HB VAL 85 0.169 6.061 11.160 619 1HG1 VAL 85 HG21 VAL 85 -0.577 8.435 10.691 620 2HG1 VAL 85 HG22 VAL 85 0.466 8.381 9.269 621 3HG1 VAL 85 HG23 VAL 85 1.160 8.186 10.878 622 1HG2 VAL 85 HG11 VAL 85 -1.966 6.962 9.879 623 2HG2 VAL 85 HG12 VAL 85 -1.648 5.237 10.064 624 3HG2 VAL 85 HG13 VAL 85 -1.244 6.051 8.552 625 H ARG 86 HN ARG 86 2.180 7.867 8.215 626 HA ARG 86 HA ARG 86 4.416 8.089 10.065 627 1HB ARG 86 HB1 ARG 86 4.668 7.526 7.136 628 2HB ARG 86 HB2 ARG 86 5.874 8.532 7.928 629 1HG ARG 86 HG2 ARG 86 5.598 6.343 9.604 630 2HG ARG 86 HG1 ARG 86 5.532 5.674 7.974 631 1HD ARG 86 HD2 ARG 86 7.626 6.721 7.406 632 2HD ARG 86 HD1 ARG 86 7.668 7.557 8.958 633 HE ARG 86 HE ARG 86 7.544 4.711 9.232 634 1HH1 ARG 86 HH12 ARG 86 9.680 7.412 8.692 635 2HH1 ARG 86 HH11 ARG 86 11.074 6.599 9.320 636 1HH2 ARG 86 HH21 ARG 86 9.373 3.635 10.061 637 2HH2 ARG 86 HH22 ARG 86 10.900 4.453 10.098 638 H ARG 87 HN ARG 87 2.938 9.852 10.618 639 HA ARG 87 HA ARG 87 2.611 12.036 8.790 640 1HB ARG 87 HB1 ARG 87 1.915 11.507 11.645 641 2HB ARG 87 HB2 ARG 87 1.942 13.175 11.089 642 1HG ARG 87 HG2 ARG 87 0.510 11.692 9.165 643 2HG ARG 87 HG1 ARG 87 -0.083 11.202 10.754 644 1HD ARG 87 HD2 ARG 87 0.185 13.977 10.894 645 2HD ARG 87 HD1 ARG 87 -0.516 13.659 9.307 646 HE ARG 87 HE ARG 87 -1.734 13.126 11.897 647 1HH1 ARG 87 HH22 ARG 87 -1.876 12.800 8.431 648 2HH1 ARG 87 HH21 ARG 87 -3.572 12.456 8.404 649 1HH2 ARG 87 HH12 ARG 87 -3.968 12.673 11.871 650 2HH2 ARG 87 HH11 ARG 87 -4.762 12.385 10.359 651 H LEU 88 HN LEU 88 4.735 12.592 8.183 652 HA LEU 88 HA LEU 88 6.629 13.435 10.200 653 1HB LEU 88 HB1 LEU 88 6.658 13.313 7.206 654 2HB LEU 88 HB2 LEU 88 7.854 14.270 8.052 655 HG LEU 88 HG LEU 88 8.601 12.253 9.251 656 1HD1 LEU 88 HD21 LEU 88 6.503 10.917 7.548 657 2HD1 LEU 88 HD22 LEU 88 6.619 10.936 9.310 658 3HD1 LEU 88 HD23 LEU 88 7.810 10.048 8.357 659 1HD2 LEU 88 HD11 LEU 88 8.952 11.124 6.692 660 2HD2 LEU 88 HD12 LEU 88 10.058 12.172 7.583 661 3HD2 LEU 88 HD13 LEU 88 8.869 12.876 6.484 662 H MET 89 HN MET 89 5.355 15.112 11.190 663 HA MET 89 HA MET 89 4.774 17.458 9.557 664 1HB MET 89 HB1 MET 89 3.776 18.330 11.706 665 2HB MET 89 HB2 MET 89 3.013 16.890 11.048 666 1HG MET 89 HG2 MET 89 4.234 15.507 12.645 667 2HG MET 89 HG1 MET 89 5.006 16.949 13.302 668 1HE MET 89 HE1 MET 89 0.918 15.317 13.493 669 2HE MET 89 HE2 MET 89 1.749 15.826 12.022 670 3HE MET 89 HE3 MET 89 0.637 16.929 12.834 Start of MODEL 8 1 1H MET 1 HT1 MET 1 9.837 15.716 5.005 2 2H MET 1 HT2 MET 1 9.816 14.366 6.063 3 3H MET 1 HT3 MET 1 11.260 14.786 5.238 4 HA MET 1 HA MET 1 10.959 15.402 7.674 5 1HB MET 1 HB2 MET 1 12.163 17.635 7.059 6 2HB MET 1 HB1 MET 1 12.906 16.104 6.614 7 1HG MET 1 HG2 MET 1 11.735 16.402 4.362 8 2HG MET 1 HG1 MET 1 11.482 18.071 4.863 9 1HE MET 1 HE1 MET 1 14.043 15.802 2.917 10 2HE MET 1 HE2 MET 1 14.543 17.331 2.195 11 3HE MET 1 HE3 MET 1 12.828 16.951 2.353 12 H GLY 2 HN GLY 2 8.504 16.249 5.720 13 1HA GLY 2 HA2 GLY 2 7.265 17.908 7.703 14 2HA GLY 2 HA1 GLY 2 7.696 18.814 6.259 15 H ASP 3 HN ASP 3 7.207 15.835 5.146 16 HA ASP 3 HA ASP 3 4.462 16.445 4.332 17 1HB ASP 3 HB1 ASP 3 6.625 14.709 3.182 18 2HB ASP 3 HB2 ASP 3 4.939 14.446 2.738 19 H VAL 4 HN VAL 4 2.902 14.684 4.215 20 HA VAL 4 HA VAL 4 3.189 12.882 6.511 21 HB VAL 4 HB VAL 4 0.947 14.322 5.326 22 1HG1 VAL 4 HG11 VAL 4 -0.558 12.317 6.282 23 2HG1 VAL 4 HG12 VAL 4 0.764 11.396 5.566 24 3HG1 VAL 4 HG13 VAL 4 -0.162 12.526 4.576 25 1HG2 VAL 4 HG21 VAL 4 1.364 14.865 7.518 26 2HG2 VAL 4 HG22 VAL 4 1.734 13.201 7.972 27 3HG2 VAL 4 HG23 VAL 4 0.061 13.690 7.702 28 H VAL 5 HN VAL 5 3.802 10.869 6.083 29 HA VAL 5 HA VAL 5 3.277 9.770 3.406 30 HB VAL 5 HB VAL 5 5.426 9.249 5.432 31 1HG1 VAL 5 HG11 VAL 5 4.244 7.271 3.577 32 2HG1 VAL 5 HG12 VAL 5 5.087 7.032 5.109 33 3HG1 VAL 5 HG13 VAL 5 6.005 7.351 3.636 34 1HG2 VAL 5 HG21 VAL 5 5.985 9.245 2.550 35 2HG2 VAL 5 HG22 VAL 5 6.813 10.071 3.870 36 3HG2 VAL 5 HG23 VAL 5 5.344 10.761 3.182 37 H ALA 6 HN ALA 6 1.711 8.299 3.215 38 HA ALA 6 HA ALA 6 0.749 6.907 5.611 39 1HB ALA 6 HB1 ALA 6 -0.463 6.860 2.852 40 2HB ALA 6 HB2 ALA 6 -0.860 8.070 4.072 41 3HB ALA 6 HB3 ALA 6 -1.211 6.368 4.372 42 H THR 7 HN THR 7 0.401 4.546 5.495 43 HA THR 7 HA THR 7 2.048 3.224 3.471 44 HB THR 7 HB THR 7 2.308 2.489 6.372 45 HG1 THR 7 HG1 THR 7 4.385 3.623 6.114 46 1HG2 THR 7 HG21 THR 7 3.879 1.834 3.902 47 2HG2 THR 7 HG22 THR 7 3.080 0.729 5.026 48 3HG2 THR 7 HG23 THR 7 4.518 1.614 5.534 49 H ILE 8 HN ILE 8 1.110 1.611 2.588 50 HA ILE 8 HA ILE 8 -1.119 0.234 3.942 51 HB ILE 8 HB ILE 8 -0.738 0.596 0.970 52 1HG1 ILE 8 HG12 ILE 8 -0.976 2.774 2.276 53 2HG1 ILE 8 HG11 ILE 8 -2.149 2.496 0.993 54 1HG2 ILE 8 HG21 ILE 8 -2.857 -0.532 2.706 55 2HG2 ILE 8 HG22 ILE 8 -2.230 -1.101 1.157 56 3HG2 ILE 8 HG23 ILE 8 -3.331 0.278 1.209 57 1HD1 ILE 8 HD11 ILE 8 -3.882 2.399 2.419 58 2HD1 ILE 8 HD12 ILE 8 -2.798 3.330 3.452 59 3HD1 ILE 8 HD13 ILE 8 -2.948 1.587 3.676 60 H LYS 9 HN LYS 9 -0.394 -1.757 4.570 61 HA LYS 9 HA LYS 9 1.588 -3.152 2.930 62 1HB LYS 9 HB1 LYS 9 0.702 -4.457 5.397 63 2HB LYS 9 HB2 LYS 9 2.324 -4.137 4.802 64 1HG LYS 9 HG2 LYS 9 0.985 -1.705 5.622 65 2HG LYS 9 HG1 LYS 9 1.050 -2.892 6.921 66 1HD LYS 9 HD2 LYS 9 3.463 -2.188 5.288 67 2HD LYS 9 HD1 LYS 9 2.991 -1.263 6.715 68 1HE LYS 9 HE2 LYS 9 3.437 -4.241 6.730 69 2HE LYS 9 HE1 LYS 9 4.691 -3.067 7.128 70 1HZ LYS 9 HZ1 LYS 9 3.739 -2.580 9.101 71 2HZ LYS 9 HZ2 LYS 9 3.117 -4.145 8.947 72 3HZ LYS 9 HZ3 LYS 9 2.159 -2.811 8.544 73 H VAL 10 HN VAL 10 0.436 -4.021 1.252 74 HA VAL 10 HA VAL 10 -1.921 -5.623 1.813 75 HB VAL 10 HB VAL 10 -2.562 -5.278 -0.309 76 1HG1 VAL 10 HG21 VAL 10 -0.690 -3.343 -1.196 77 2HG1 VAL 10 HG22 VAL 10 -0.869 -3.162 0.550 78 3HG1 VAL 10 HG23 VAL 10 -2.288 -3.086 -0.495 79 1HG2 VAL 10 HG11 VAL 10 -0.675 -5.126 -2.184 80 2HG2 VAL 10 HG12 VAL 10 -1.349 -6.658 -1.629 81 3HG2 VAL 10 HG13 VAL 10 0.198 -6.092 -0.994 82 H MET 11 HN MET 11 -2.083 -7.809 1.701 83 HA MET 11 HA MET 11 0.117 -9.352 0.590 84 1HB MET 11 HB2 MET 11 0.790 -10.440 2.498 85 2HB MET 11 HB1 MET 11 0.398 -8.860 3.157 86 1HG MET 11 HG1 MET 11 -1.318 -9.629 4.374 87 2HG MET 11 HG2 MET 11 -1.820 -10.784 3.142 88 1HE MET 11 HE1 MET 11 0.061 -12.977 2.621 89 2HE MET 11 HE2 MET 11 -1.554 -13.177 3.302 90 3HE MET 11 HE3 MET 11 -0.184 -14.023 4.020 91 HA PRO 12 HA PRO 12 -3.442 -11.690 -0.747 92 1HB PRO 12 HB1 PRO 12 -1.519 -13.573 -1.892 93 2HB PRO 12 HB2 PRO 12 -2.649 -12.494 -2.713 94 1HG PRO 12 HG1 PRO 12 0.022 -12.106 -2.774 95 2HG PRO 12 HG2 PRO 12 -1.136 -10.762 -2.802 96 1HD PRO 12 HD2 PRO 12 0.441 -11.850 -0.492 97 2HD PRO 12 HD1 PRO 12 0.157 -10.160 -0.961 98 H GLU 13 HN GLU 13 -4.534 -12.973 0.581 99 HA GLU 13 HA GLU 13 -3.451 -14.509 2.633 100 1HB GLU 13 HB1 GLU 13 -6.074 -14.032 1.497 101 2HB GLU 13 HB2 GLU 13 -5.899 -15.707 2.003 102 1HG GLU 13 HG1 GLU 13 -5.129 -13.471 3.833 103 2HG GLU 13 HG2 GLU 13 -6.809 -13.979 3.678 104 H SER 14 HN SER 14 -4.103 -15.320 -0.701 105 HA SER 14 HA SER 14 -3.780 -18.155 -0.315 106 1HB SER 14 HB1 SER 14 -4.302 -18.382 -2.562 107 2HB SER 14 HB2 SER 14 -5.083 -16.842 -2.203 108 HG SER 14 HG SER 14 -3.905 -16.477 -4.009 109 HA PRO 15 HA PRO 15 0.611 -18.416 -0.695 110 1HB PRO 15 HB2 PRO 15 0.916 -20.765 -2.022 111 2HB PRO 15 HB1 PRO 15 0.426 -20.683 -0.326 112 1HG PRO 15 HG2 PRO 15 -1.261 -21.060 -2.772 113 2HG PRO 15 HG1 PRO 15 -1.349 -21.902 -1.214 114 1HD PRO 15 HD2 PRO 15 -3.029 -19.884 -1.875 115 2HD PRO 15 HD1 PRO 15 -2.499 -20.174 -0.205 116 H ASP 16 HN ASP 16 -1.425 -17.874 -3.251 117 HA ASP 16 HA ASP 16 0.624 -17.927 -5.326 118 1HB ASP 16 HB2 ASP 16 -2.224 -18.150 -5.300 119 2HB ASP 16 HB1 ASP 16 -1.793 -16.735 -6.255 120 H VAL 17 HN VAL 17 1.164 -16.222 -3.240 121 HA VAL 17 HA VAL 17 0.292 -13.570 -3.583 122 HB VAL 17 HB VAL 17 2.858 -14.617 -2.367 123 1HG1 VAL 17 HG21 VAL 17 3.516 -12.480 -2.352 124 2HG1 VAL 17 HG22 VAL 17 2.281 -12.238 -1.114 125 3HG1 VAL 17 HG23 VAL 17 1.917 -11.892 -2.806 126 1HG2 VAL 17 HG11 VAL 17 0.101 -14.160 -1.341 127 2HG2 VAL 17 HG12 VAL 17 1.469 -13.915 -0.257 128 3HG2 VAL 17 HG13 VAL 17 1.219 -15.485 -1.021 129 H ASP 18 HN ASP 18 0.418 -13.371 -5.949 130 HA ASP 18 HA ASP 18 2.931 -13.381 -7.306 131 1HB ASP 18 HB1 ASP 18 0.205 -12.309 -8.005 132 2HB ASP 18 HB2 ASP 18 1.605 -12.023 -9.040 133 H LEU 19 HN LEU 19 4.421 -12.083 -6.419 134 HA LEU 19 HA LEU 19 3.967 -9.572 -5.243 135 1HB LEU 19 HB1 LEU 19 6.072 -11.302 -5.427 136 2HB LEU 19 HB2 LEU 19 6.596 -10.045 -6.529 137 HG LEU 19 HG LEU 19 7.555 -9.580 -4.406 138 1HD1 LEU 19 HD11 LEU 19 6.836 -7.378 -4.021 139 2HD1 LEU 19 HD12 LEU 19 5.190 -7.735 -4.543 140 3HD1 LEU 19 HD13 LEU 19 6.498 -7.687 -5.724 141 1HD2 LEU 19 HD21 LEU 19 4.804 -9.635 -3.190 142 2HD2 LEU 19 HD22 LEU 19 6.349 -9.457 -2.358 143 3HD2 LEU 19 HD23 LEU 19 5.934 -10.988 -3.129 144 H GLU 20 HN GLU 20 5.291 -10.378 -8.454 145 HA GLU 20 HA GLU 20 5.535 -7.700 -9.266 146 1HB GLU 20 HB1 GLU 20 6.811 -9.440 -10.352 147 2HB GLU 20 HB2 GLU 20 5.341 -10.245 -10.886 148 1HG GLU 20 HG2 GLU 20 4.875 -8.005 -12.113 149 2HG GLU 20 HG1 GLU 20 6.608 -7.745 -11.906 150 H ALA 21 HN ALA 21 2.935 -10.057 -9.629 151 HA ALA 21 HA ALA 21 1.372 -8.400 -11.349 152 1HB ALA 21 HB1 ALA 21 -0.382 -9.987 -11.058 153 2HB ALA 21 HB2 ALA 21 0.359 -10.620 -9.589 154 3HB ALA 21 HB3 ALA 21 1.132 -10.885 -11.153 155 H LEU 22 HN LEU 22 1.603 -8.876 -7.898 156 HA LEU 22 HA LEU 22 -0.690 -7.347 -7.186 157 1HB LEU 22 HB2 LEU 22 1.083 -8.990 -5.868 158 2HB LEU 22 HB1 LEU 22 1.512 -7.417 -5.240 159 HG LEU 22 HG LEU 22 -1.158 -8.819 -5.076 160 1HD1 LEU 22 HD11 LEU 22 0.834 -9.252 -3.478 161 2HD1 LEU 22 HD12 LEU 22 -0.782 -8.998 -2.812 162 3HD1 LEU 22 HD13 LEU 22 0.396 -7.684 -2.797 163 1HD2 LEU 22 HD21 LEU 22 -2.110 -6.897 -4.062 164 2HD2 LEU 22 HD22 LEU 22 -1.406 -6.381 -5.596 165 3HD2 LEU 22 HD23 LEU 22 -0.567 -6.043 -4.081 166 H LYS 23 HN LYS 23 2.611 -6.637 -7.952 167 HA LYS 23 HA LYS 23 2.838 -4.071 -6.852 168 1HB LYS 23 HB2 LYS 23 4.312 -5.756 -8.658 169 2HB LYS 23 HB1 LYS 23 4.261 -4.120 -9.297 170 1HG LYS 23 HG1 LYS 23 4.859 -3.689 -6.664 171 2HG LYS 23 HG2 LYS 23 5.700 -5.205 -7.000 172 1HD LYS 23 HD2 LYS 23 6.057 -3.317 -9.151 173 2HD LYS 23 HD1 LYS 23 6.571 -2.629 -7.608 174 1HE LYS 23 HE1 LYS 23 8.358 -3.968 -7.481 175 2HE LYS 23 HE2 LYS 23 7.440 -5.386 -7.984 176 1HZ LYS 23 HZ1 LYS 23 8.186 -5.193 -10.056 177 2HZ LYS 23 HZ2 LYS 23 9.314 -4.079 -9.468 178 3HZ LYS 23 HZ3 LYS 23 7.854 -3.536 -10.127 179 H LYS 24 HN LYS 24 1.670 -5.174 -10.003 180 HA LYS 24 HA LYS 24 1.169 -2.595 -11.052 181 1HB LYS 24 HB1 LYS 24 -0.402 -5.026 -11.853 182 2HB LYS 24 HB2 LYS 24 0.133 -3.681 -12.851 183 1HG LYS 24 HG2 LYS 24 2.492 -4.499 -12.463 184 2HG LYS 24 HG1 LYS 24 1.771 -5.956 -11.774 185 1HD LYS 24 HD1 LYS 24 0.654 -5.181 -14.367 186 2HD LYS 24 HD2 LYS 24 2.371 -5.592 -14.415 187 1HE LYS 24 HE1 LYS 24 1.726 -7.722 -14.519 188 2HE LYS 24 HE2 LYS 24 1.279 -7.560 -12.821 189 1HZ LYS 24 HZ1 LYS 24 -0.461 -8.421 -14.476 190 2HZ LYS 24 HZ2 LYS 24 -0.620 -6.804 -14.946 191 3HZ LYS 24 HZ3 LYS 24 -0.937 -7.255 -13.348 192 H GLU 25 HN GLU 25 -0.818 -4.924 -9.274 193 HA GLU 25 HA GLU 25 -3.256 -3.505 -9.509 194 1HB GLU 25 HB1 GLU 25 -2.279 -5.533 -7.497 195 2HB GLU 25 HB2 GLU 25 -3.909 -4.872 -7.473 196 1HG GLU 25 HG2 GLU 25 -2.871 -6.109 -9.977 197 2HG GLU 25 HG1 GLU 25 -3.410 -7.140 -8.653 198 H ILE 26 HN ILE 26 -0.547 -3.290 -7.339 199 HA ILE 26 HA ILE 26 -1.744 -1.800 -5.286 200 HB ILE 26 HB ILE 26 0.960 -2.560 -6.043 201 1HG1 ILE 26 HG11 ILE 26 0.704 -1.953 -3.287 202 2HG1 ILE 26 HG12 ILE 26 -0.841 -2.619 -3.806 203 1HG2 ILE 26 HG21 ILE 26 1.470 -0.255 -6.247 204 2HG2 ILE 26 HG22 ILE 26 2.033 -0.752 -4.650 205 3HG2 ILE 26 HG23 ILE 26 0.527 0.153 -4.814 206 1HD1 ILE 26 HD11 ILE 26 -0.016 -4.673 -3.961 207 2HD1 ILE 26 HD12 ILE 26 1.354 -4.055 -3.041 208 3HD1 ILE 26 HD13 ILE 26 1.434 -4.125 -4.801 209 H GLN 27 HN GLN 27 -0.075 -0.748 -8.248 210 HA GLN 27 HA GLN 27 -0.154 2.012 -7.643 211 1HB GLN 27 HB1 GLN 27 -0.122 0.737 -10.378 212 2HB GLN 27 HB2 GLN 27 0.362 2.379 -9.980 213 1HG GLN 27 HG2 GLN 27 1.729 -0.163 -9.128 214 2HG GLN 27 HG1 GLN 27 2.306 1.017 -10.299 215 1HE2 GLN 27 HE21 GLN 27 3.791 2.335 -9.597 216 2HE2 GLN 27 HE22 GLN 27 4.019 2.840 -7.961 217 H GLU 28 HN GLU 28 -2.444 -0.184 -9.105 218 HA GLU 28 HA GLU 28 -4.224 1.856 -10.038 219 1HB GLU 28 HB1 GLU 28 -5.008 -0.992 -9.458 220 2HB GLU 28 HB2 GLU 28 -5.678 0.102 -10.661 221 1HG GLU 28 HG2 GLU 28 -3.535 0.010 -11.882 222 2HG GLU 28 HG1 GLU 28 -2.955 -1.171 -10.708 223 H ARG 29 HN ARG 29 -3.688 0.273 -7.020 224 HA ARG 29 HA ARG 29 -6.298 0.987 -5.970 225 1HB ARG 29 HB2 ARG 29 -5.805 -0.327 -4.126 226 2HB ARG 29 HB1 ARG 29 -4.987 -1.155 -5.441 227 1HG ARG 29 HG1 ARG 29 -2.875 -0.402 -4.744 228 2HG ARG 29 HG2 ARG 29 -3.577 0.802 -3.655 229 1HD ARG 29 HD1 ARG 29 -4.437 -0.940 -2.230 230 2HD ARG 29 HD2 ARG 29 -3.890 -2.182 -3.353 231 HE ARG 29 HE ARG 29 -1.840 -2.065 -2.382 232 1HH1 ARG 29 HH11 ARG 29 -3.490 0.948 -1.788 233 2HH1 ARG 29 HH12 ARG 29 -2.225 1.590 -0.796 234 1HH2 ARG 29 HH21 ARG 29 -0.177 -1.228 -1.081 235 2HH2 ARG 29 HH22 ARG 29 -0.342 0.353 -0.394 236 H ILE 30 HN ILE 30 -3.226 2.416 -6.218 237 HA ILE 30 HA ILE 30 -3.052 3.906 -3.858 238 HB ILE 30 HB ILE 30 -2.137 4.628 -6.643 239 1HG1 ILE 30 HG11 ILE 30 -1.174 2.560 -5.577 240 2HG1 ILE 30 HG12 ILE 30 0.010 3.794 -5.987 241 1HG2 ILE 30 HG21 ILE 30 -0.630 5.882 -4.532 242 2HG2 ILE 30 HG22 ILE 30 -2.332 6.335 -4.443 243 3HG2 ILE 30 HG23 ILE 30 -1.425 6.607 -5.930 244 1HD1 ILE 30 HD11 ILE 30 -1.126 3.702 -3.235 245 2HD1 ILE 30 HD12 ILE 30 0.435 4.308 -3.791 246 3HD1 ILE 30 HD13 ILE 30 0.142 2.571 -3.709 247 HA PRO 31 HA PRO 31 -6.543 6.646 -4.100 248 1HB PRO 31 HB1 PRO 31 -5.438 8.787 -2.764 249 2HB PRO 31 HB2 PRO 31 -6.198 7.401 -1.993 250 1HG PRO 31 HG2 PRO 31 -3.295 7.947 -2.453 251 2HG PRO 31 HG1 PRO 31 -4.094 7.235 -1.040 252 1HD PRO 31 HD1 PRO 31 -2.796 5.709 -2.820 253 2HD PRO 31 HD2 PRO 31 -4.292 5.151 -2.041 254 H GLU 32 HN GLU 32 -7.034 7.542 -5.979 255 HA GLU 32 HA GLU 32 -5.257 8.697 -7.784 256 1HB GLU 32 HB2 GLU 32 -8.015 8.093 -7.681 257 2HB GLU 32 HB1 GLU 32 -7.880 9.774 -8.181 258 1HG GLU 32 HG2 GLU 32 -5.953 8.338 -9.643 259 2HG GLU 32 HG1 GLU 32 -7.442 7.396 -9.696 260 H GLY 33 HN GLY 33 -6.039 10.000 -4.879 261 1HA GLY 33 HA1 GLY 33 -6.404 12.744 -5.703 262 2HA GLY 33 HA2 GLY 33 -6.221 12.162 -4.056 263 H THR 34 HN THR 34 -3.751 10.770 -4.463 264 HA THR 34 HA THR 34 -1.928 12.983 -5.133 265 HB THR 34 HB THR 34 -1.047 11.221 -2.947 266 HG1 THR 34 HG1 THR 34 -2.841 13.186 -2.149 267 1HG2 THR 34 HG21 THR 34 -0.886 13.741 -1.998 268 2HG2 THR 34 HG22 THR 34 -0.777 14.027 -3.736 269 3HG2 THR 34 HG23 THR 34 0.371 12.947 -2.946 270 H GLU 35 HN GLU 35 0.280 11.164 -4.097 271 HA GLU 35 HA GLU 35 0.287 9.145 -6.228 272 1HB GLU 35 HB1 GLU 35 2.526 11.101 -5.670 273 2HB GLU 35 HB2 GLU 35 2.619 9.748 -6.787 274 1HG GLU 35 HG1 GLU 35 0.359 11.147 -7.582 275 2HG GLU 35 HG2 GLU 35 1.538 12.394 -7.174 276 H LEU 36 HN LEU 36 2.158 7.614 -5.970 277 HA LEU 36 HA LEU 36 2.145 6.606 -3.295 278 1HB LEU 36 HB1 LEU 36 3.967 5.038 -4.473 279 2HB LEU 36 HB2 LEU 36 2.240 4.812 -4.668 280 HG LEU 36 HG LEU 36 3.001 6.616 -6.688 281 1HD1 LEU 36 HD11 LEU 36 5.325 5.568 -6.007 282 2HD1 LEU 36 HD12 LEU 36 4.897 5.846 -7.696 283 3HD1 LEU 36 HD13 LEU 36 4.747 4.231 -7.002 284 1HD2 LEU 36 HD21 LEU 36 2.768 4.100 -7.854 285 2HD2 LEU 36 HD22 LEU 36 1.474 5.269 -7.582 286 3HD2 LEU 36 HD23 LEU 36 1.789 4.009 -6.389 287 H HIS 37 HN HIS 37 4.509 5.626 -2.660 288 HA HIS 37 HA HIS 37 6.421 7.857 -2.690 289 1HB HIS 37 HB1 HIS 37 5.149 7.865 -0.558 290 2HB HIS 37 HB2 HIS 37 5.691 6.223 -0.253 291 HD2 HIS 37 HD2 HIS 37 8.147 5.961 0.867 292 HE1 HIS 37 HE1 HIS 37 9.163 10.068 0.735 293 HE2 HIS 37 HE2 HIS 37 9.851 7.781 1.588 294 H LYS 38 HN LYS 38 6.373 4.753 -1.023 295 HA LYS 38 HA LYS 38 8.262 3.514 -2.816 296 1HB LYS 38 HB1 LYS 38 9.066 4.566 -0.115 297 2HB LYS 38 HB2 LYS 38 9.856 3.150 -0.791 298 1HG LYS 38 HG1 LYS 38 9.757 5.885 -2.043 299 2HG LYS 38 HG2 LYS 38 11.139 5.167 -1.215 300 1HD LYS 38 HD2 LYS 38 10.686 3.239 -3.004 301 2HD LYS 38 HD1 LYS 38 10.034 4.608 -3.907 302 1HE LYS 38 HE1 LYS 38 12.361 5.651 -2.982 303 2HE LYS 38 HE2 LYS 38 12.809 3.959 -3.194 304 1HZ LYS 38 HZ1 LYS 38 13.261 4.885 -5.244 305 2HZ LYS 38 HZ2 LYS 38 11.906 5.899 -5.220 306 3HZ LYS 38 HZ3 LYS 38 11.717 4.239 -5.488 307 H ILE 39 HN ILE 39 7.926 1.370 -2.786 308 HA ILE 39 HA ILE 39 6.157 0.295 -0.735 309 HB ILE 39 HB ILE 39 7.112 -1.175 -3.174 310 1HG1 ILE 39 HG11 ILE 39 4.926 0.886 -2.887 311 2HG1 ILE 39 HG12 ILE 39 6.215 0.825 -4.084 312 1HG2 ILE 39 HG21 ILE 39 4.908 -2.307 -2.881 313 2HG2 ILE 39 HG22 ILE 39 4.705 -1.410 -1.376 314 3HG2 ILE 39 HG23 ILE 39 6.032 -2.559 -1.545 315 1HD1 ILE 39 HD11 ILE 39 4.893 -1.498 -4.577 316 2HD1 ILE 39 HD12 ILE 39 4.638 0.023 -5.434 317 3HD1 ILE 39 HD13 ILE 39 3.581 -0.422 -4.091 318 H ASP 40 HN ASP 40 6.532 -1.814 0.200 319 HA ASP 40 HA ASP 40 9.382 -2.512 0.464 320 1HB ASP 40 HB1 ASP 40 7.852 -1.386 2.454 321 2HB ASP 40 HB2 ASP 40 7.695 -3.107 2.790 322 H GLU 41 HN GLU 41 9.751 -4.515 -0.209 323 HA GLU 41 HA GLU 41 7.560 -6.403 -0.507 324 1HB GLU 41 HB2 GLU 41 9.491 -7.843 -1.457 325 2HB GLU 41 HB1 GLU 41 8.953 -6.444 -2.377 326 1HG GLU 41 HG2 GLU 41 10.837 -5.205 -1.840 327 2HG GLU 41 HG1 GLU 41 11.221 -6.220 -0.452 328 H GLU 42 HN GLU 42 7.318 -6.423 1.896 329 HA GLU 42 HA GLU 42 9.332 -8.059 3.242 330 1HB GLU 42 HB1 GLU 42 7.443 -5.989 4.096 331 2HB GLU 42 HB2 GLU 42 7.551 -7.364 5.188 332 1HG GLU 42 HG1 GLU 42 9.159 -5.237 5.326 333 2HG GLU 42 HG2 GLU 42 9.637 -6.863 5.841 334 HA PRO 43 HA PRO 43 6.579 -11.475 3.262 335 1HB PRO 43 HB1 PRO 43 8.028 -13.062 4.960 336 2HB PRO 43 HB2 PRO 43 8.449 -12.761 3.273 337 1HG PRO 43 HG2 PRO 43 9.802 -11.865 5.681 338 2HG PRO 43 HG1 PRO 43 10.335 -11.739 3.999 339 1HD PRO 43 HD1 PRO 43 9.114 -9.702 5.703 340 2HD PRO 43 HD2 PRO 43 9.930 -9.513 4.142 341 H ILE 44 HN ILE 44 5.205 -12.787 4.508 342 HA ILE 44 HA ILE 44 4.665 -11.802 7.230 343 HB ILE 44 HB ILE 44 2.428 -12.681 5.457 344 1HG1 ILE 44 HG12 ILE 44 3.746 -10.978 4.191 345 2HG1 ILE 44 HG11 ILE 44 2.123 -10.433 4.601 346 1HG2 ILE 44 HG21 ILE 44 2.662 -10.766 7.770 347 2HG2 ILE 44 HG22 ILE 44 1.926 -12.368 7.783 348 3HG2 ILE 44 HG23 ILE 44 1.179 -11.062 6.862 349 1HD1 ILE 44 HD11 ILE 44 4.751 -9.449 5.516 350 2HD1 ILE 44 HD12 ILE 44 3.452 -9.460 6.709 351 3HD1 ILE 44 HD13 ILE 44 3.254 -8.572 5.199 352 H ALA 45 HN ALA 45 2.935 -14.220 5.331 353 HA ALA 45 HA ALA 45 2.953 -16.113 7.445 354 1HB ALA 45 HB1 ALA 45 1.496 -17.299 6.181 355 2HB ALA 45 HB2 ALA 45 2.412 -17.052 4.695 356 3HB ALA 45 HB3 ALA 45 1.377 -15.767 5.317 357 H PHE 46 HN PHE 46 3.399 -18.451 5.645 358 HA PHE 46 HA PHE 46 6.142 -18.875 6.264 359 1HB PHE 46 HB2 PHE 46 3.938 -20.437 5.059 360 2HB PHE 46 HB1 PHE 46 5.562 -20.916 4.575 361 HD1 PHE 46 HD1 PHE 46 3.234 -20.604 7.393 362 HD2 PHE 46 HD2 PHE 46 7.061 -21.958 6.117 363 HE1 PHE 46 HE1 PHE 46 3.477 -21.877 9.485 364 HE2 PHE 46 HE2 PHE 46 7.312 -23.233 8.207 365 HZ PHE 46 HZ PHE 46 5.517 -23.193 9.894 366 H GLY 47 HN GLY 47 4.385 -17.948 3.382 367 1HA GLY 47 HA1 GLY 47 6.908 -17.234 2.108 368 2HA GLY 47 HA2 GLY 47 5.922 -18.421 1.266 369 H LEU 48 HN LEU 48 3.995 -16.267 2.983 370 HA LEU 48 HA LEU 48 3.234 -14.934 0.508 371 1HB LEU 48 HB2 LEU 48 1.886 -14.586 3.170 372 2HB LEU 48 HB1 LEU 48 1.212 -14.353 1.571 373 HG LEU 48 HG LEU 48 1.705 -16.919 3.046 374 1HD1 LEU 48 HD11 LEU 48 -0.696 -16.856 1.548 375 2HD1 LEU 48 HD12 LEU 48 -0.550 -15.315 2.396 376 3HD1 LEU 48 HD13 LEU 48 -0.493 -16.827 3.301 377 1HD2 LEU 48 HD21 LEU 48 1.096 -16.773 0.103 378 2HD2 LEU 48 HD22 LEU 48 1.408 -18.209 1.078 379 3HD2 LEU 48 HD23 LEU 48 2.711 -17.067 0.749 380 H VAL 49 HN VAL 49 4.554 -13.274 0.069 381 HA VAL 49 HA VAL 49 5.445 -11.495 2.179 382 HB VAL 49 HB VAL 49 6.132 -11.744 -0.740 383 1HG1 VAL 49 HG21 VAL 49 6.246 -9.355 0.773 384 2HG1 VAL 49 HG22 VAL 49 6.877 -9.661 -0.845 385 3HG1 VAL 49 HG23 VAL 49 7.897 -9.936 0.567 386 1HG2 VAL 49 HG11 VAL 49 8.441 -11.838 0.730 387 2HG2 VAL 49 HG12 VAL 49 7.536 -13.237 0.149 388 3HG2 VAL 49 HG13 VAL 49 7.278 -12.637 1.789 389 H ALA 50 HN ALA 50 4.558 -9.619 2.649 390 HA ALA 50 HA ALA 50 2.482 -8.504 0.931 391 1HB ALA 50 HB1 ALA 50 1.872 -7.147 2.812 392 2HB ALA 50 HB2 ALA 50 3.353 -7.589 3.668 393 3HB ALA 50 HB3 ALA 50 2.105 -8.802 3.380 394 H LEU 51 HN LEU 51 2.449 -6.195 0.506 395 HA LEU 51 HA LEU 51 5.153 -5.056 0.317 396 1HB LEU 51 HB2 LEU 51 3.084 -4.116 -1.575 397 2HB LEU 51 HB1 LEU 51 4.803 -4.355 -1.818 398 HG LEU 51 HG LEU 51 2.674 -6.490 -1.834 399 1HD1 LEU 51 HD21 LEU 51 2.500 -5.924 -3.977 400 2HD1 LEU 51 HD22 LEU 51 4.135 -6.550 -4.188 401 3HD1 LEU 51 HD23 LEU 51 3.883 -4.833 -3.870 402 1HD2 LEU 51 HD11 LEU 51 5.604 -6.649 -1.589 403 2HD2 LEU 51 HD12 LEU 51 4.854 -7.733 -2.760 404 3HD2 LEU 51 HD13 LEU 51 4.350 -7.779 -1.070 405 H ASN 52 HN ASN 52 5.433 -3.340 1.516 406 HA ASN 52 HA ASN 52 3.134 -1.897 2.558 407 1HB ASN 52 HB1 ASN 52 6.004 -1.230 3.172 408 2HB ASN 52 HB2 ASN 52 4.578 -1.030 4.188 409 1HD2 ASN 52 HD22 ASN 52 3.573 -3.703 3.609 410 2HD2 ASN 52 HD21 ASN 52 4.571 -4.796 4.499 411 H VAL 53 HN VAL 53 2.414 -0.809 0.776 412 HA VAL 53 HA VAL 53 4.192 0.868 -0.753 413 HB VAL 53 HB VAL 53 1.187 0.741 -0.964 414 1HG1 VAL 53 HG21 VAL 53 1.664 2.432 -2.373 415 2HG1 VAL 53 HG22 VAL 53 2.144 1.132 -3.464 416 3HG1 VAL 53 HG23 VAL 53 3.362 1.977 -2.509 417 1HG2 VAL 53 HG11 VAL 53 2.575 -0.804 -2.953 418 2HG2 VAL 53 HG12 VAL 53 1.274 -1.285 -1.864 419 3HG2 VAL 53 HG13 VAL 53 2.952 -1.389 -1.333 420 H MET 54 HN MET 54 4.870 2.627 0.283 421 HA MET 54 HA MET 54 3.095 4.205 1.931 422 1HB MET 54 HB1 MET 54 5.972 4.609 1.083 423 2HB MET 54 HB2 MET 54 5.108 5.681 2.176 424 1HG MET 54 HG1 MET 54 5.305 4.284 3.917 425 2HG MET 54 HG2 MET 54 5.060 2.846 2.926 426 1HE MET 54 HE1 MET 54 6.452 1.660 4.328 427 2HE MET 54 HE2 MET 54 8.208 1.738 4.466 428 3HE MET 54 HE3 MET 54 7.467 1.073 3.010 429 H VAL 55 HN VAL 55 2.842 6.540 1.559 430 HA VAL 55 HA VAL 55 2.969 7.314 -1.262 431 HB VAL 55 HB VAL 55 0.716 7.945 -1.424 432 1HG1 VAL 55 HG11 VAL 55 -0.522 5.926 -1.035 433 2HG1 VAL 55 HG12 VAL 55 0.645 5.397 0.177 434 3HG1 VAL 55 HG13 VAL 55 1.119 5.498 -1.520 435 1HG2 VAL 55 HG21 VAL 55 -0.855 7.791 0.534 436 2HG2 VAL 55 HG22 VAL 55 0.351 9.074 0.636 437 3HG2 VAL 55 HG23 VAL 55 0.565 7.587 1.560 438 H VAL 56 HN VAL 56 3.296 9.481 -1.625 439 HA VAL 56 HA VAL 56 3.959 11.058 0.745 440 HB VAL 56 HB VAL 56 4.325 12.252 -1.937 441 1HG1 VAL 56 HG11 VAL 56 5.878 13.464 -0.869 442 2HG1 VAL 56 HG12 VAL 56 6.565 12.052 -0.065 443 3HG1 VAL 56 HG13 VAL 56 5.131 12.836 0.602 444 1HG2 VAL 56 HG21 VAL 56 5.383 10.519 -2.844 445 2HG2 VAL 56 HG22 VAL 56 5.288 9.598 -1.342 446 3HG2 VAL 56 HG23 VAL 56 6.625 10.718 -1.606 447 H VAL 57 HN VAL 57 2.173 11.948 1.606 448 HA VAL 57 HA VAL 57 0.561 13.670 -0.148 449 HB VAL 57 HB VAL 57 -1.451 13.122 1.150 450 1HG1 VAL 57 HG21 VAL 57 -1.988 11.363 -0.177 451 2HG1 VAL 57 HG22 VAL 57 -0.536 10.458 0.250 452 3HG1 VAL 57 HG23 VAL 57 -0.444 11.769 -0.927 453 1HG2 VAL 57 HG11 VAL 57 0.111 10.849 2.346 454 2HG2 VAL 57 HG12 VAL 57 -1.536 11.356 2.723 455 3HG2 VAL 57 HG13 VAL 57 -0.173 12.376 3.185 456 H GLY 58 HN GLY 58 0.061 15.649 0.631 457 1HA GLY 58 HA2 GLY 58 -0.053 16.367 3.329 458 2HA GLY 58 HA1 GLY 58 1.563 16.734 2.750 459 H ASP 59 HN ASP 59 1.371 17.810 0.399 460 HA ASP 59 HA ASP 59 -0.050 20.283 0.859 461 1HB ASP 59 HB2 ASP 59 2.310 20.038 -0.146 462 2HB ASP 59 HB1 ASP 59 1.488 19.580 -1.635 463 H ALA 60 HN ALA 60 -0.800 17.352 -0.472 464 HA ALA 60 HA ALA 60 -2.327 18.084 -2.743 465 1HB ALA 60 HB1 ALA 60 -3.005 15.860 -2.821 466 2HB ALA 60 HB2 ALA 60 -2.865 15.659 -1.074 467 3HB ALA 60 HB3 ALA 60 -1.413 15.785 -2.066 468 H GLU 61 HN GLU 61 -4.644 16.389 -1.685 469 HA GLU 61 HA GLU 61 -5.962 18.266 0.110 470 1HB GLU 61 HB1 GLU 61 -7.993 18.004 -1.586 471 2HB GLU 61 HB2 GLU 61 -6.818 19.302 -1.739 472 1HG GLU 61 HG1 GLU 61 -5.580 17.512 -3.241 473 2HG GLU 61 HG2 GLU 61 -7.222 16.893 -3.421 474 H GLY 62 HN GLY 62 -8.561 17.253 -0.214 475 1HA GLY 62 HA1 GLY 62 -8.292 14.775 1.245 476 2HA GLY 62 HA2 GLY 62 -9.792 15.623 0.891 477 H GLY 63 HN GLY 63 -7.858 15.239 -1.840 478 1HA GLY 63 HA2 GLY 63 -9.744 13.521 -3.105 479 2HA GLY 63 HA1 GLY 63 -8.209 14.045 -3.777 480 H THR 64 HN THR 64 -7.154 12.842 -1.039 481 HA THR 64 HA THR 64 -6.347 10.362 -2.220 482 HB THR 64 HB THR 64 -4.827 10.201 -0.539 483 HG1 THR 64 HG1 THR 64 -6.167 9.745 1.146 484 1HG2 THR 64 HG21 THR 64 -4.683 12.555 -1.338 485 2HG2 THR 64 HG22 THR 64 -4.045 12.275 0.282 486 3HG2 THR 64 HG23 THR 64 -5.627 13.027 0.075 487 H GLU 65 HN GLU 65 -9.163 11.295 -0.882 488 HA GLU 65 HA GLU 65 -9.942 9.272 0.877 489 1HB GLU 65 HB2 GLU 65 -12.250 9.765 0.050 490 2HB GLU 65 HB1 GLU 65 -11.348 11.194 0.529 491 1HG GLU 65 HG2 GLU 65 -11.215 11.997 -1.591 492 2HG GLU 65 HG1 GLU 65 -11.246 10.392 -2.319 493 H ALA 66 HN ALA 66 -9.372 9.295 -2.494 494 HA ALA 66 HA ALA 66 -10.893 7.166 -3.406 495 1HB ALA 66 HB1 ALA 66 -8.593 8.647 -4.331 496 2HB ALA 66 HB2 ALA 66 -9.899 7.903 -5.254 497 3HB ALA 66 HB3 ALA 66 -8.493 6.946 -4.787 498 H ALA 67 HN ALA 67 -7.901 7.158 -1.569 499 HA ALA 67 HA ALA 67 -7.156 4.489 -1.913 500 1HB ALA 67 HB1 ALA 67 -6.031 4.726 0.301 501 2HB ALA 67 HB2 ALA 67 -6.799 6.306 0.464 502 3HB ALA 67 HB3 ALA 67 -5.654 6.014 -0.844 503 H GLU 68 HN GLU 68 -9.075 5.910 0.741 504 HA GLU 68 HA GLU 68 -9.782 3.481 1.957 505 1HB GLU 68 HB1 GLU 68 -11.182 6.160 1.920 506 2HB GLU 68 HB2 GLU 68 -11.687 4.814 2.934 507 1HG GLU 68 HG2 GLU 68 -8.890 5.278 3.292 508 2HG GLU 68 HG1 GLU 68 -9.773 6.789 3.496 509 H GLU 69 HN GLU 69 -11.193 5.275 -0.711 510 HA GLU 69 HA GLU 69 -13.639 3.889 -0.905 511 1HB GLU 69 HB1 GLU 69 -12.385 5.957 -2.282 512 2HB GLU 69 HB2 GLU 69 -12.526 4.677 -3.480 513 1HG GLU 69 HG2 GLU 69 -14.988 4.902 -2.054 514 2HG GLU 69 HG1 GLU 69 -14.496 6.495 -2.631 515 H SER 70 HN SER 70 -10.507 3.386 -2.478 516 HA SER 70 HA SER 70 -11.246 1.103 -3.961 517 1HB SER 70 HB1 SER 70 -9.063 2.702 -3.946 518 2HB SER 70 HB2 SER 70 -8.432 1.321 -3.048 519 HG SER 70 HG SER 70 -9.381 1.444 -5.690 520 H LEU 71 HN LEU 71 -10.445 1.601 -0.650 521 HA LEU 71 HA LEU 71 -9.638 -1.063 -0.038 522 1HB LEU 71 HB2 LEU 71 -9.915 1.429 1.325 523 2HB LEU 71 HB1 LEU 71 -10.734 0.197 2.259 524 HG LEU 71 HG LEU 71 -8.508 0.355 3.089 525 1HD1 LEU 71 HD11 LEU 71 -8.336 -2.032 1.288 526 2HD1 LEU 71 HD12 LEU 71 -9.518 -1.955 2.595 527 3HD1 LEU 71 HD13 LEU 71 -7.795 -1.855 2.957 528 1HD2 LEU 71 HD21 LEU 71 -6.539 0.058 1.636 529 2HD2 LEU 71 HD22 LEU 71 -7.465 1.508 1.247 530 3HD2 LEU 71 HD23 LEU 71 -7.602 0.074 0.230 531 H SER 72 HN SER 72 -12.691 0.567 -0.323 532 HA SER 72 HA SER 72 -14.293 -1.232 1.156 533 1HB SER 72 HB2 SER 72 -15.715 0.451 0.712 534 2HB SER 72 HB1 SER 72 -14.700 1.037 -0.606 535 HG SER 72 HG SER 72 -16.305 0.367 -1.791 536 H GLY 73 HN GLY 73 -12.698 -1.494 -1.838 537 1HA GLY 73 HA2 GLY 73 -13.823 -4.151 -2.247 538 2HA GLY 73 HA1 GLY 73 -14.060 -3.000 -3.551 539 H ILE 74 HN ILE 74 -11.267 -3.163 -1.477 540 HA ILE 74 HA ILE 74 -9.471 -3.185 -3.682 541 HB ILE 74 HB ILE 74 -9.187 -2.180 -1.306 542 1HG1 ILE 74 HG12 ILE 74 -6.603 -3.349 -1.882 543 2HG1 ILE 74 HG11 ILE 74 -7.414 -2.841 -3.361 544 1HG2 ILE 74 HG21 ILE 74 -7.513 -4.354 -0.452 545 2HG2 ILE 74 HG22 ILE 74 -9.191 -4.873 -0.609 546 3HG2 ILE 74 HG23 ILE 74 -8.786 -3.497 0.419 547 1HD1 ILE 74 HD11 ILE 74 -6.606 -1.183 -1.004 548 2HD1 ILE 74 HD12 ILE 74 -7.811 -0.622 -2.164 549 3HD1 ILE 74 HD13 ILE 74 -6.172 -0.987 -2.702 550 H GLU 75 HN GLU 75 -7.409 -4.885 -2.839 551 HA GLU 75 HA GLU 75 -7.971 -7.236 -4.141 552 1HB GLU 75 HB2 GLU 75 -5.851 -6.275 -2.340 553 2HB GLU 75 HB1 GLU 75 -6.024 -8.025 -2.387 554 1HG GLU 75 HG2 GLU 75 -4.405 -7.433 -4.005 555 2HG GLU 75 HG1 GLU 75 -5.869 -7.889 -4.878 556 H GLY 76 HN GLY 76 -9.721 -8.422 -3.629 557 1HA GLY 76 HA1 GLY 76 -10.747 -8.865 -1.058 558 2HA GLY 76 HA2 GLY 76 -11.081 -9.859 -2.469 559 H VAL 77 HN VAL 77 -8.303 -10.606 -2.881 560 HA VAL 77 HA VAL 77 -8.175 -12.738 -0.911 561 HB VAL 77 HB VAL 77 -6.261 -12.284 -3.194 562 1HG1 VAL 77 HG21 VAL 77 -5.527 -14.424 -2.846 563 2HG1 VAL 77 HG22 VAL 77 -7.059 -14.955 -2.153 564 3HG1 VAL 77 HG23 VAL 77 -5.949 -13.976 -1.192 565 1HG2 VAL 77 HG11 VAL 77 -8.904 -13.733 -3.221 566 2HG2 VAL 77 HG12 VAL 77 -7.680 -13.861 -4.484 567 3HG2 VAL 77 HG13 VAL 77 -8.458 -12.312 -4.165 568 H SER 78 HN SER 78 -6.278 -9.962 -1.969 569 HA SER 78 HA SER 78 -4.321 -10.452 0.133 570 1HB SER 78 HB1 SER 78 -3.315 -9.845 -1.965 571 2HB SER 78 HB2 SER 78 -4.403 -8.470 -2.148 572 HG SER 78 HG SER 78 -2.099 -8.221 -1.262 573 H ASN 79 HN ASN 79 -5.451 -9.943 2.006 574 HA ASN 79 HA ASN 79 -6.802 -7.392 2.243 575 1HB ASN 79 HB2 ASN 79 -7.281 -9.602 3.604 576 2HB ASN 79 HB1 ASN 79 -6.015 -8.976 4.654 577 1HD2 ASN 79 HD21 ASN 79 -6.471 -6.266 4.704 578 2HD2 ASN 79 HD22 ASN 79 -8.042 -5.952 5.347 579 H ILE 80 HN ILE 80 -5.986 -5.578 3.045 580 HA ILE 80 HA ILE 80 -3.109 -5.565 3.433 581 HB ILE 80 HB ILE 80 -4.945 -3.208 3.127 582 1HG1 ILE 80 HG12 ILE 80 -3.425 -4.556 0.903 583 2HG1 ILE 80 HG11 ILE 80 -5.110 -4.921 1.252 584 1HG2 ILE 80 HG21 ILE 80 -3.113 -2.000 3.318 585 2HG2 ILE 80 HG22 ILE 80 -2.352 -2.893 2.002 586 3HG2 ILE 80 HG23 ILE 80 -2.204 -3.472 3.661 587 1HD1 ILE 80 HD11 ILE 80 -4.195 -2.121 0.723 588 2HD1 ILE 80 HD12 ILE 80 -5.822 -2.796 0.621 589 3HD1 ILE 80 HD13 ILE 80 -4.609 -3.231 -0.584 590 H GLU 81 HN GLU 81 -2.078 -4.550 5.088 591 HA GLU 81 HA GLU 81 -3.557 -4.224 7.576 592 1HB GLU 81 HB2 GLU 81 -1.361 -5.438 7.571 593 2HB GLU 81 HB1 GLU 81 -0.584 -3.950 7.047 594 1HG GLU 81 HG1 GLU 81 -0.205 -3.754 9.261 595 2HG GLU 81 HG2 GLU 81 -1.805 -3.012 9.212 596 H VAL 82 HN VAL 82 -4.706 -2.512 6.465 597 HA VAL 82 HA VAL 82 -3.323 -0.156 5.637 598 HB VAL 82 HB VAL 82 -6.278 -0.723 5.982 599 1HG1 VAL 82 HG21 VAL 82 -4.827 1.714 5.317 600 2HG1 VAL 82 HG22 VAL 82 -6.541 1.488 5.674 601 3HG1 VAL 82 HG23 VAL 82 -5.940 1.235 4.034 602 1HG2 VAL 82 HG11 VAL 82 -6.006 -0.722 3.380 603 2HG2 VAL 82 HG12 VAL 82 -5.652 -2.169 4.329 604 3HG2 VAL 82 HG13 VAL 82 -4.335 -1.137 3.765 605 H THR 83 HN THR 83 -2.431 -0.366 8.050 606 HA THR 83 HA THR 83 -3.820 1.730 9.550 607 HB THR 83 HB THR 83 -2.462 -0.502 11.022 608 HG1 THR 83 HG1 THR 83 -5.216 -0.622 10.711 609 1HG2 THR 83 HG21 THR 83 -3.617 0.179 12.868 610 2HG2 THR 83 HG22 THR 83 -4.910 0.919 11.924 611 3HG2 THR 83 HG23 THR 83 -3.342 1.717 12.050 612 H ASP 84 HN ASP 84 -1.120 0.979 7.903 613 HA ASP 84 HA ASP 84 0.823 1.912 9.844 614 1HB ASP 84 HB1 ASP 84 1.207 0.071 8.091 615 2HB ASP 84 HB2 ASP 84 1.354 1.384 6.930 616 H VAL 85 HN VAL 85 1.819 3.867 9.836 617 HA VAL 85 HA VAL 85 1.227 5.791 7.722 618 HB VAL 85 HB VAL 85 -0.552 5.902 9.554 619 1HG1 VAL 85 HG11 VAL 85 -0.041 6.963 11.608 620 2HG1 VAL 85 HG12 VAL 85 1.601 7.339 11.086 621 3HG1 VAL 85 HG13 VAL 85 1.139 5.667 11.407 622 1HG2 VAL 85 HG21 VAL 85 -0.935 8.008 8.898 623 2HG2 VAL 85 HG22 VAL 85 0.516 7.806 7.917 624 3HG2 VAL 85 HG23 VAL 85 0.621 8.580 9.498 625 H ARG 86 HN ARG 86 2.458 7.833 8.007 626 HA ARG 86 HA ARG 86 4.809 7.693 9.719 627 1HB ARG 86 HB1 ARG 86 5.057 7.980 6.715 628 2HB ARG 86 HB2 ARG 86 6.375 8.025 7.874 629 1HG ARG 86 HG1 ARG 86 5.009 5.593 8.274 630 2HG ARG 86 HG2 ARG 86 5.240 5.789 6.538 631 1HD ARG 86 HD2 ARG 86 7.628 6.223 6.922 632 2HD ARG 86 HD1 ARG 86 7.385 5.967 8.650 633 HE ARG 86 HE ARG 86 6.651 3.792 6.851 634 1HH1 ARG 86 HH21 ARG 86 8.923 5.128 9.132 635 2HH1 ARG 86 HH22 ARG 86 9.707 3.613 9.432 636 1HH2 ARG 86 HH11 ARG 86 7.679 1.795 7.242 637 2HH2 ARG 86 HH12 ARG 86 9.001 1.720 8.359 638 H ARG 87 HN ARG 87 3.890 9.554 10.712 639 HA ARG 87 HA ARG 87 3.306 11.890 9.145 640 1HB ARG 87 HB2 ARG 87 3.477 11.445 12.127 641 2HB ARG 87 HB1 ARG 87 3.013 12.974 11.393 642 1HG ARG 87 HG2 ARG 87 0.964 12.054 11.814 643 2HG ARG 87 HG1 ARG 87 1.243 11.503 10.159 644 1HD ARG 87 HD1 ARG 87 1.273 9.365 10.771 645 2HD ARG 87 HD2 ARG 87 2.364 9.687 12.117 646 HE ARG 87 HE ARG 87 -0.566 9.753 12.208 647 1HH1 ARG 87 HH21 ARG 87 2.511 9.904 13.836 648 2HH1 ARG 87 HH22 ARG 87 1.829 9.712 15.417 649 1HH2 ARG 87 HH12 ARG 87 -1.473 9.500 14.284 650 2HH2 ARG 87 HH11 ARG 87 -0.435 9.482 15.672 651 H LEU 88 HN LEU 88 5.373 12.210 8.082 652 HA LEU 88 HA LEU 88 7.637 12.930 9.747 653 1HB LEU 88 HB1 LEU 88 7.993 13.674 6.998 654 2HB LEU 88 HB2 LEU 88 8.886 12.521 7.964 655 HG LEU 88 HG LEU 88 6.303 11.871 6.554 656 1HD1 LEU 88 HD11 LEU 88 7.421 11.633 4.653 657 2HD1 LEU 88 HD12 LEU 88 8.610 10.596 5.443 658 3HD1 LEU 88 HD13 LEU 88 8.836 12.347 5.428 659 1HD2 LEU 88 HD21 LEU 88 8.200 9.750 7.187 660 2HD2 LEU 88 HD22 LEU 88 6.455 9.832 7.442 661 3HD2 LEU 88 HD23 LEU 88 7.553 10.571 8.611 662 H MET 89 HN MET 89 6.914 14.748 10.849 663 HA MET 89 HA MET 89 6.094 17.075 9.294 664 1HB MET 89 HB2 MET 89 5.583 16.121 11.947 665 2HB MET 89 HB1 MET 89 6.306 17.720 12.047 666 1HG MET 89 HG1 MET 89 4.548 18.735 10.977 667 2HG MET 89 HG2 MET 89 4.066 17.260 10.141 668 1HE MET 89 HE1 MET 89 2.936 15.125 13.136 669 2HE MET 89 HE2 MET 89 3.735 15.181 11.565 670 3HE MET 89 HE3 MET 89 1.989 15.405 11.675 Start of MODEL 9 1 1H MET 1 HT1 MET 1 12.614 16.986 7.857 2 2H MET 1 HT2 MET 1 11.665 18.249 8.527 3 3H MET 1 HT3 MET 1 12.059 18.265 6.858 4 HA MET 1 HA MET 1 10.620 16.626 6.339 5 1HB MET 1 HB1 MET 1 11.482 15.646 8.882 6 2HB MET 1 HB2 MET 1 9.725 15.617 8.845 7 1HG MET 1 HG1 MET 1 9.930 13.661 7.824 8 2HG MET 1 HG2 MET 1 10.393 14.586 6.398 9 1HE MET 1 HE1 MET 1 10.953 11.917 6.337 10 2HE MET 1 HE2 MET 1 11.664 11.297 7.828 11 3HE MET 1 HE3 MET 1 12.657 11.464 6.380 12 H GLY 2 HN GLY 2 8.374 16.774 6.225 13 1HA GLY 2 HA1 GLY 2 6.766 18.123 8.133 14 2HA GLY 2 HA2 GLY 2 7.208 19.223 6.834 15 H ASP 3 HN ASP 3 7.164 16.148 5.637 16 HA ASP 3 HA ASP 3 4.568 16.596 4.364 17 1HB ASP 3 HB1 ASP 3 7.085 15.433 3.522 18 2HB ASP 3 HB2 ASP 3 5.746 14.330 3.223 19 H VAL 4 HN VAL 4 3.156 14.729 4.009 20 HA VAL 4 HA VAL 4 3.115 12.975 6.369 21 HB VAL 4 HB VAL 4 0.749 12.967 4.628 22 1HG1 VAL 4 HG21 VAL 4 1.414 12.289 7.248 23 2HG1 VAL 4 HG22 VAL 4 -0.187 12.247 6.510 24 3HG1 VAL 4 HG23 VAL 4 0.342 13.681 7.389 25 1HG2 VAL 4 HG11 VAL 4 0.723 15.204 4.347 26 2HG2 VAL 4 HG12 VAL 4 1.844 15.490 5.678 27 3HG2 VAL 4 HG13 VAL 4 0.136 15.201 6.010 28 H VAL 5 HN VAL 5 3.776 10.943 6.082 29 HA VAL 5 HA VAL 5 3.546 9.761 3.386 30 HB VAL 5 HB VAL 5 5.665 9.527 5.487 31 1HG1 VAL 5 HG11 VAL 5 4.627 7.298 3.932 32 2HG1 VAL 5 HG12 VAL 5 5.749 7.305 5.295 33 3HG1 VAL 5 HG13 VAL 5 6.346 7.581 3.655 34 1HG2 VAL 5 HG21 VAL 5 6.159 11.065 3.772 35 2HG2 VAL 5 HG22 VAL 5 5.604 9.960 2.514 36 3HG2 VAL 5 HG23 VAL 5 7.092 9.616 3.396 37 H ALA 6 HN ALA 6 1.923 8.323 3.288 38 HA ALA 6 HA ALA 6 1.135 6.861 5.700 39 1HB ALA 6 HB1 ALA 6 -0.900 7.265 4.900 40 2HB ALA 6 HB2 ALA 6 -0.555 6.103 3.618 41 3HB ALA 6 HB3 ALA 6 -0.250 7.819 3.357 42 H THR 7 HN THR 7 0.548 4.493 5.365 43 HA THR 7 HA THR 7 2.185 3.191 3.343 44 HB THR 7 HB THR 7 2.460 2.387 6.229 45 HG1 THR 7 HG1 THR 7 3.395 4.395 6.036 46 1HG2 THR 7 HG21 THR 7 4.562 1.342 5.350 47 2HG2 THR 7 HG22 THR 7 3.943 1.647 3.725 48 3HG2 THR 7 HG23 THR 7 3.058 0.587 4.826 49 H ILE 8 HN ILE 8 1.288 1.524 2.486 50 HA ILE 8 HA ILE 8 -1.015 0.230 3.796 51 HB ILE 8 HB ILE 8 -0.583 0.517 0.827 52 1HG1 ILE 8 HG12 ILE 8 -0.718 2.744 2.070 53 2HG1 ILE 8 HG11 ILE 8 -1.889 2.491 0.781 54 1HG2 ILE 8 HG21 ILE 8 -3.206 0.361 1.086 55 2HG2 ILE 8 HG22 ILE 8 -2.749 -0.479 2.570 56 3HG2 ILE 8 HG23 ILE 8 -2.177 -1.070 1.010 57 1HD1 ILE 8 HD11 ILE 8 -2.406 3.271 3.393 58 2HD1 ILE 8 HD12 ILE 8 -2.937 1.592 3.307 59 3HD1 ILE 8 HD13 ILE 8 -3.582 2.781 2.175 60 H LYS 9 HN LYS 9 -0.327 -1.759 4.471 61 HA LYS 9 HA LYS 9 1.657 -3.218 2.885 62 1HB LYS 9 HB1 LYS 9 0.713 -4.448 5.374 63 2HB LYS 9 HB2 LYS 9 2.347 -4.193 4.782 64 1HG LYS 9 HG2 LYS 9 1.035 -1.715 5.557 65 2HG LYS 9 HG1 LYS 9 1.148 -2.876 6.876 66 1HD LYS 9 HD2 LYS 9 3.508 -2.215 5.156 67 2HD LYS 9 HD1 LYS 9 3.075 -1.240 6.560 68 1HE LYS 9 HE2 LYS 9 3.654 -4.198 6.589 69 2HE LYS 9 HE1 LYS 9 4.766 -2.931 7.107 70 1HZ LYS 9 HZ1 LYS 9 3.737 -3.785 9.036 71 2HZ LYS 9 HZ2 LYS 9 2.190 -3.695 8.358 72 3HZ LYS 9 HZ3 LYS 9 3.023 -2.277 8.757 73 H VAL 10 HN VAL 10 0.514 -4.106 1.210 74 HA VAL 10 HA VAL 10 -1.883 -5.652 1.788 75 HB VAL 10 HB VAL 10 -2.560 -5.154 -0.268 76 1HG1 VAL 10 HG21 VAL 10 -0.752 -3.211 0.471 77 2HG1 VAL 10 HG22 VAL 10 -1.941 -3.088 -0.828 78 3HG1 VAL 10 HG23 VAL 10 -0.289 -3.591 -1.189 79 1HG2 VAL 10 HG11 VAL 10 0.135 -5.939 -1.364 80 2HG2 VAL 10 HG12 VAL 10 -1.318 -5.617 -2.312 81 3HG2 VAL 10 HG13 VAL 10 -1.271 -6.993 -1.211 82 H MET 11 HN MET 11 -2.103 -7.833 1.615 83 HA MET 11 HA MET 11 0.057 -9.409 0.490 84 1HB MET 11 HB2 MET 11 0.772 -10.483 2.373 85 2HB MET 11 HB1 MET 11 0.332 -8.939 3.085 86 1HG MET 11 HG1 MET 11 -1.501 -9.778 4.152 87 2HG MET 11 HG2 MET 11 -1.726 -11.079 2.984 88 1HE MET 11 HE1 MET 11 -0.812 -13.070 2.859 89 2HE MET 11 HE2 MET 11 -1.341 -13.701 4.417 90 3HE MET 11 HE3 MET 11 0.343 -13.876 3.922 91 HA PRO 12 HA PRO 12 -3.542 -11.688 -0.847 92 1HB PRO 12 HB1 PRO 12 -1.601 -13.597 -1.948 93 2HB PRO 12 HB2 PRO 12 -2.751 -12.556 -2.794 94 1HG PRO 12 HG1 PRO 12 -0.103 -12.108 -2.885 95 2HG PRO 12 HG2 PRO 12 -1.278 -10.781 -2.883 96 1HD PRO 12 HD2 PRO 12 0.337 -11.878 -0.600 97 2HD PRO 12 HD1 PRO 12 0.055 -10.185 -1.063 98 H GLU 13 HN GLU 13 -4.696 -13.038 0.365 99 HA GLU 13 HA GLU 13 -3.708 -14.515 2.510 100 1HB GLU 13 HB1 GLU 13 -6.271 -14.290 1.079 101 2HB GLU 13 HB2 GLU 13 -6.031 -15.817 1.916 102 1HG GLU 13 HG2 GLU 13 -6.402 -14.892 3.898 103 2HG GLU 13 HG1 GLU 13 -5.290 -13.564 3.570 104 H SER 14 HN SER 14 -4.157 -15.404 -0.845 105 HA SER 14 HA SER 14 -3.739 -18.214 -0.401 106 1HB SER 14 HB2 SER 14 -4.530 -16.521 -2.598 107 2HB SER 14 HB1 SER 14 -3.254 -17.624 -3.114 108 HG SER 14 HG SER 14 -5.629 -18.398 -1.767 109 HA PRO 15 HA PRO 15 0.679 -18.313 -0.485 110 1HB PRO 15 HB2 PRO 15 1.138 -20.687 -1.730 111 2HB PRO 15 HB1 PRO 15 0.569 -20.567 -0.062 112 1HG PRO 15 HG2 PRO 15 -0.990 -21.093 -2.565 113 2HG PRO 15 HG1 PRO 15 -1.122 -21.876 -0.978 114 1HD PRO 15 HD2 PRO 15 -2.843 -19.957 -1.789 115 2HD PRO 15 HD1 PRO 15 -2.369 -20.149 -0.089 116 H ASP 16 HN ASP 16 -1.186 -17.926 -3.198 117 HA ASP 16 HA ASP 16 1.015 -17.948 -5.114 118 1HB ASP 16 HB2 ASP 16 -1.765 -18.405 -5.320 119 2HB ASP 16 HB1 ASP 16 -1.451 -16.901 -6.183 120 H VAL 17 HN VAL 17 1.347 -16.166 -3.079 121 HA VAL 17 HA VAL 17 0.340 -13.588 -3.513 122 HB VAL 17 HB VAL 17 2.887 -14.478 -2.154 123 1HG1 VAL 17 HG21 VAL 17 1.816 -11.786 -2.661 124 2HG1 VAL 17 HG22 VAL 17 3.456 -12.303 -2.267 125 3HG1 VAL 17 HG23 VAL 17 2.260 -12.110 -0.984 126 1HG2 VAL 17 HG11 VAL 17 0.115 -14.551 -1.428 127 2HG2 VAL 17 HG12 VAL 17 1.002 -13.498 -0.326 128 3HG2 VAL 17 HG13 VAL 17 1.517 -15.169 -0.555 129 H ASP 18 HN ASP 18 0.553 -13.391 -5.857 130 HA ASP 18 HA ASP 18 3.135 -13.181 -7.089 131 1HB ASP 18 HB1 ASP 18 0.380 -12.310 -7.989 132 2HB ASP 18 HB2 ASP 18 1.828 -12.157 -8.982 133 H LEU 19 HN LEU 19 4.342 -11.696 -5.925 134 HA LEU 19 HA LEU 19 3.350 -9.202 -5.058 135 1HB LEU 19 HB2 LEU 19 5.511 -8.691 -4.324 136 2HB LEU 19 HB1 LEU 19 5.346 -10.420 -4.120 137 HG LEU 19 HG LEU 19 7.527 -10.101 -4.896 138 1HD1 LEU 19 HD21 LEU 19 5.780 -11.592 -6.367 139 2HD1 LEU 19 HD22 LEU 19 7.537 -11.620 -6.522 140 3HD1 LEU 19 HD23 LEU 19 6.572 -10.612 -7.601 141 1HD2 LEU 19 HD11 LEU 19 8.068 -8.161 -5.813 142 2HD2 LEU 19 HD12 LEU 19 6.398 -7.842 -6.285 143 3HD2 LEU 19 HD13 LEU 19 7.450 -8.786 -7.342 144 H GLU 20 HN GLU 20 5.006 -10.207 -7.994 145 HA GLU 20 HA GLU 20 5.467 -7.588 -8.964 146 1HB GLU 20 HB2 GLU 20 6.119 -8.596 -10.994 147 2HB GLU 20 HB1 GLU 20 6.589 -9.737 -9.744 148 1HG GLU 20 HG1 GLU 20 4.697 -11.130 -10.233 149 2HG GLU 20 HG2 GLU 20 4.066 -9.937 -11.370 150 H ALA 21 HN ALA 21 2.830 -9.885 -9.297 151 HA ALA 21 HA ALA 21 1.368 -8.286 -11.184 152 1HB ALA 21 HB1 ALA 21 0.714 -10.490 -11.330 153 2HB ALA 21 HB2 ALA 21 -0.557 -9.829 -10.302 154 3HB ALA 21 HB3 ALA 21 0.777 -10.732 -9.585 155 H LEU 22 HN LEU 22 1.623 -8.604 -7.749 156 HA LEU 22 HA LEU 22 -0.670 -7.067 -7.028 157 1HB LEU 22 HB2 LEU 22 0.966 -8.660 -5.640 158 2HB LEU 22 HB1 LEU 22 1.773 -7.141 -5.316 159 HG LEU 22 HG LEU 22 0.294 -6.597 -3.741 160 1HD1 LEU 22 HD21 LEU 22 -2.162 -6.677 -4.061 161 2HD1 LEU 22 HD22 LEU 22 -1.897 -7.416 -5.640 162 3HD1 LEU 22 HD23 LEU 22 -1.319 -5.780 -5.325 163 1HD2 LEU 22 HD11 LEU 22 0.280 -8.606 -2.752 164 2HD2 LEU 22 HD12 LEU 22 -0.168 -9.452 -4.234 165 3HD2 LEU 22 HD13 LEU 22 -1.404 -8.634 -3.278 166 H LYS 23 HN LYS 23 2.618 -6.429 -7.894 167 HA LYS 23 HA LYS 23 2.922 -3.793 -7.043 168 1HB LYS 23 HB2 LYS 23 4.199 -5.607 -8.966 169 2HB LYS 23 HB1 LYS 23 4.321 -3.914 -9.413 170 1HG LYS 23 HG1 LYS 23 5.002 -3.816 -6.785 171 2HG LYS 23 HG2 LYS 23 5.621 -5.402 -7.248 172 1HD LYS 23 HD1 LYS 23 6.291 -3.566 -9.306 173 2HD LYS 23 HD2 LYS 23 6.744 -2.843 -7.760 174 1HE LYS 23 HE2 LYS 23 7.648 -5.346 -7.382 175 2HE LYS 23 HE1 LYS 23 7.819 -5.226 -9.133 176 1HZ LYS 23 HZ1 LYS 23 9.637 -4.358 -7.362 177 2HZ LYS 23 HZ2 LYS 23 8.787 -2.929 -7.676 178 3HZ LYS 23 HZ3 LYS 23 9.501 -3.786 -8.948 179 H LYS 24 HN LYS 24 1.644 -5.121 -10.071 180 HA LYS 24 HA LYS 24 1.130 -2.620 -11.295 181 1HB LYS 24 HB1 LYS 24 -0.379 -5.179 -11.826 182 2HB LYS 24 HB2 LYS 24 -0.101 -3.843 -12.934 183 1HG LYS 24 HG2 LYS 24 2.335 -4.381 -12.854 184 2HG LYS 24 HG1 LYS 24 1.925 -5.821 -11.920 185 1HD LYS 24 HD2 LYS 24 0.274 -5.650 -14.269 186 2HD LYS 24 HD1 LYS 24 1.981 -5.555 -14.709 187 1HE LYS 24 HE1 LYS 24 2.284 -7.720 -14.300 188 2HE LYS 24 HE2 LYS 24 1.540 -7.583 -12.708 189 1HZ LYS 24 HZ1 LYS 24 0.218 -8.133 -15.297 190 2HZ LYS 24 HZ2 LYS 24 -0.651 -7.636 -13.933 191 3HZ LYS 24 HZ3 LYS 24 0.221 -9.085 -13.899 192 H GLU 25 HN GLU 25 -0.842 -4.810 -9.331 193 HA GLU 25 HA GLU 25 -3.263 -3.344 -9.579 194 1HB GLU 25 HB1 GLU 25 -2.312 -5.273 -7.452 195 2HB GLU 25 HB2 GLU 25 -3.946 -4.630 -7.538 196 1HG GLU 25 HG2 GLU 25 -4.228 -5.658 -9.741 197 2HG GLU 25 HG1 GLU 25 -2.596 -6.316 -9.635 198 H ILE 26 HN ILE 26 -0.470 -3.072 -7.556 199 HA ILE 26 HA ILE 26 -1.507 -1.515 -5.472 200 HB ILE 26 HB ILE 26 1.233 -1.944 -6.589 201 1HG1 ILE 26 HG11 ILE 26 0.470 -2.131 -3.707 202 2HG1 ILE 26 HG12 ILE 26 -0.161 -3.344 -4.817 203 1HG2 ILE 26 HG21 ILE 26 1.013 0.495 -6.028 204 2HG2 ILE 26 HG22 ILE 26 2.243 -0.375 -5.112 205 3HG2 ILE 26 HG23 ILE 26 0.695 0.012 -4.362 206 1HD1 ILE 26 HD11 ILE 26 2.227 -3.475 -3.521 207 2HD1 ILE 26 HD12 ILE 26 2.699 -2.870 -5.109 208 3HD1 ILE 26 HD13 ILE 26 1.800 -4.382 -4.972 209 H GLN 27 HN GLN 27 -0.044 -0.584 -8.571 210 HA GLN 27 HA GLN 27 -0.086 2.194 -8.135 211 1HB GLN 27 HB1 GLN 27 -0.285 0.679 -10.747 212 2HB GLN 27 HB2 GLN 27 0.109 2.385 -10.583 213 1HG GLN 27 HG1 GLN 27 1.839 0.701 -8.979 214 2HG GLN 27 HG2 GLN 27 1.893 0.286 -10.692 215 1HE2 GLN 27 HE21 GLN 27 1.463 3.389 -9.042 216 2HE2 GLN 27 HE22 GLN 27 2.824 4.163 -9.771 217 H GLU 28 HN GLU 28 -2.490 -0.049 -9.388 218 HA GLU 28 HA GLU 28 -4.335 1.999 -10.181 219 1HB GLU 28 HB1 GLU 28 -5.062 -0.868 -9.631 220 2HB GLU 28 HB2 GLU 28 -5.797 0.245 -10.776 221 1HG GLU 28 HG2 GLU 28 -3.865 0.138 -12.199 222 2HG GLU 28 HG1 GLU 28 -3.004 -0.844 -11.014 223 H ARG 29 HN ARG 29 -3.620 0.347 -7.239 224 HA ARG 29 HA ARG 29 -6.190 0.989 -6.057 225 1HB ARG 29 HB2 ARG 29 -5.626 -0.440 -4.323 226 2HB ARG 29 HB1 ARG 29 -4.817 -1.166 -5.702 227 1HG ARG 29 HG1 ARG 29 -2.710 -0.442 -4.998 228 2HG ARG 29 HG2 ARG 29 -3.394 0.723 -3.860 229 1HD ARG 29 HD1 ARG 29 -4.270 -1.115 -2.509 230 2HD ARG 29 HD2 ARG 29 -3.602 -2.280 -3.650 231 HE ARG 29 HE ARG 29 -1.617 -2.075 -2.570 232 1HH1 ARG 29 HH11 ARG 29 -3.431 0.857 -2.055 233 2HH1 ARG 29 HH12 ARG 29 -2.237 1.564 -1.019 234 1HH2 ARG 29 HH21 ARG 29 -0.045 -1.154 -1.212 235 2HH2 ARG 29 HH22 ARG 29 -0.311 0.420 -0.542 236 H ILE 30 HN ILE 30 -3.213 2.559 -6.418 237 HA ILE 30 HA ILE 30 -2.921 3.843 -3.935 238 HB ILE 30 HB ILE 30 -2.185 4.862 -6.680 239 1HG1 ILE 30 HG12 ILE 30 -0.964 2.866 -6.208 240 2HG1 ILE 30 HG11 ILE 30 0.132 4.212 -5.925 241 1HG2 ILE 30 HG21 ILE 30 -0.683 5.898 -4.396 242 2HG2 ILE 30 HG22 ILE 30 -2.379 6.392 -4.419 243 3HG2 ILE 30 HG23 ILE 30 -1.339 6.739 -5.802 244 1HD1 ILE 30 HD11 ILE 30 -0.144 2.163 -4.239 245 2HD1 ILE 30 HD12 ILE 30 -1.370 3.245 -3.581 246 3HD1 ILE 30 HD13 ILE 30 0.301 3.789 -3.722 247 HA PRO 31 HA PRO 31 -6.435 6.531 -3.530 248 1HB PRO 31 HB2 PRO 31 -4.930 8.714 -2.556 249 2HB PRO 31 HB1 PRO 31 -5.789 7.509 -1.603 250 1HG PRO 31 HG2 PRO 31 -2.909 7.664 -2.310 251 2HG PRO 31 HG1 PRO 31 -3.682 6.998 -0.862 252 1HD PRO 31 HD1 PRO 31 -2.665 5.399 -2.750 253 2HD PRO 31 HD2 PRO 31 -4.164 4.982 -1.893 254 H GLU 32 HN GLU 32 -7.342 7.473 -5.220 255 HA GLU 32 HA GLU 32 -6.035 8.503 -7.439 256 1HB GLU 32 HB2 GLU 32 -8.126 8.264 -8.167 257 2HB GLU 32 HB1 GLU 32 -8.740 8.204 -6.524 258 1HG GLU 32 HG1 GLU 32 -9.136 10.508 -6.467 259 2HG GLU 32 HG2 GLU 32 -8.128 10.799 -7.884 260 H GLY 33 HN GLY 33 -6.330 9.949 -4.398 261 1HA GLY 33 HA1 GLY 33 -6.420 12.672 -5.301 262 2HA GLY 33 HA2 GLY 33 -6.122 12.129 -3.657 263 H THR 34 HN THR 34 -3.847 10.530 -4.111 264 HA THR 34 HA THR 34 -1.905 12.464 -5.176 265 HB THR 34 HB THR 34 -0.882 10.927 -2.923 266 HG1 THR 34 HG1 THR 34 -2.629 12.908 -2.080 267 1HG2 THR 34 HG21 THR 34 -0.843 13.727 -3.855 268 2HG2 THR 34 HG22 THR 34 0.472 12.690 -3.303 269 3HG2 THR 34 HG23 THR 34 -0.611 13.440 -2.129 270 H GLU 35 HN GLU 35 0.268 10.668 -4.202 271 HA GLU 35 HA GLU 35 -0.088 8.343 -5.966 272 1HB GLU 35 HB1 GLU 35 2.397 10.061 -5.997 273 2HB GLU 35 HB2 GLU 35 2.006 8.721 -7.066 274 1HG GLU 35 HG1 GLU 35 -0.092 10.540 -7.357 275 2HG GLU 35 HG2 GLU 35 1.380 11.511 -7.323 276 H LEU 36 HN LEU 36 1.940 6.908 -5.765 277 HA LEU 36 HA LEU 36 2.124 6.168 -3.018 278 1HB LEU 36 HB1 LEU 36 4.030 4.649 -4.269 279 2HB LEU 36 HB2 LEU 36 2.342 4.218 -4.080 280 HG LEU 36 HG LEU 36 1.958 5.363 -6.334 281 1HD1 LEU 36 HD11 LEU 36 4.061 5.271 -7.771 282 2HD1 LEU 36 HD12 LEU 36 4.956 5.277 -6.250 283 3HD1 LEU 36 HD13 LEU 36 3.901 6.630 -6.657 284 1HD2 LEU 36 HD21 LEU 36 1.749 3.075 -6.411 285 2HD2 LEU 36 HD22 LEU 36 3.408 2.797 -5.880 286 3HD2 LEU 36 HD23 LEU 36 3.088 3.336 -7.528 287 H HIS 37 HN HIS 37 4.558 5.323 -2.451 288 HA HIS 37 HA HIS 37 6.372 7.622 -2.726 289 1HB HIS 37 HB1 HIS 37 5.242 7.704 -0.530 290 2HB HIS 37 HB2 HIS 37 5.806 6.080 -0.187 291 HD2 HIS 37 HD2 HIS 37 8.287 5.873 0.864 292 HE1 HIS 37 HE1 HIS 37 9.322 9.957 0.462 293 HE2 HIS 37 HE2 HIS 37 10.030 7.716 1.414 294 H LYS 38 HN LYS 38 6.410 4.535 -1.028 295 HA LYS 38 HA LYS 38 8.330 3.337 -2.817 296 1HB LYS 38 HB1 LYS 38 9.108 4.413 -0.124 297 2HB LYS 38 HB2 LYS 38 9.891 2.967 -0.743 298 1HG LYS 38 HG1 LYS 38 9.846 5.665 -2.074 299 2HG LYS 38 HG2 LYS 38 11.209 4.949 -1.211 300 1HD LYS 38 HD2 LYS 38 10.505 3.009 -3.053 301 2HD LYS 38 HD1 LYS 38 10.307 4.522 -3.940 302 1HE LYS 38 HE2 LYS 38 12.506 4.771 -4.131 303 2HE LYS 38 HE1 LYS 38 12.728 4.577 -2.392 304 1HZ LYS 38 HZ1 LYS 38 13.586 2.849 -4.297 305 2HZ LYS 38 HZ2 LYS 38 12.174 2.105 -3.738 306 3HZ LYS 38 HZ3 LYS 38 13.414 2.490 -2.654 307 H ILE 39 HN ILE 39 7.946 1.211 -2.846 308 HA ILE 39 HA ILE 39 6.196 0.097 -0.811 309 HB ILE 39 HB ILE 39 7.188 -1.361 -3.239 310 1HG1 ILE 39 HG11 ILE 39 5.008 0.712 -2.992 311 2HG1 ILE 39 HG12 ILE 39 6.309 0.636 -4.173 312 1HG2 ILE 39 HG21 ILE 39 4.939 -2.455 -2.971 313 2HG2 ILE 39 HG22 ILE 39 4.784 -1.590 -1.442 314 3HG2 ILE 39 HG23 ILE 39 6.084 -2.762 -1.666 315 1HD1 ILE 39 HD11 ILE 39 4.640 -0.083 -5.498 316 2HD1 ILE 39 HD12 ILE 39 3.688 -0.702 -4.149 317 3HD1 ILE 39 HD13 ILE 39 5.045 -1.640 -4.774 318 H ASP 40 HN ASP 40 6.590 -2.007 0.130 319 HA ASP 40 HA ASP 40 9.449 -2.655 0.421 320 1HB ASP 40 HB1 ASP 40 7.899 -1.491 2.370 321 2HB ASP 40 HB2 ASP 40 7.763 -3.203 2.758 322 H GLU 41 HN GLU 41 9.838 -4.681 -0.222 323 HA GLU 41 HA GLU 41 7.688 -6.606 -0.422 324 1HB GLU 41 HB1 GLU 41 10.591 -7.253 -0.859 325 2HB GLU 41 HB2 GLU 41 9.177 -7.941 -1.643 326 1HG GLU 41 HG1 GLU 41 8.816 -5.779 -2.791 327 2HG GLU 41 HG2 GLU 41 10.317 -5.191 -2.077 328 H GLU 42 HN GLU 42 7.312 -6.506 1.957 329 HA GLU 42 HA GLU 42 9.257 -8.008 3.549 330 1HB GLU 42 HB1 GLU 42 7.327 -5.929 4.111 331 2HB GLU 42 HB2 GLU 42 7.082 -7.308 5.173 332 1HG GLU 42 HG2 GLU 42 9.764 -7.047 5.312 333 2HG GLU 42 HG1 GLU 42 9.279 -5.367 5.066 334 HA PRO 43 HA PRO 43 6.588 -11.529 3.155 335 1HB PRO 43 HB1 PRO 43 8.144 -13.299 4.479 336 2HB PRO 43 HB2 PRO 43 8.531 -12.707 2.861 337 1HG PRO 43 HG2 PRO 43 9.783 -12.061 5.454 338 2HG PRO 43 HG1 PRO 43 10.461 -11.962 3.823 339 1HD PRO 43 HD1 PRO 43 9.426 -9.834 5.415 340 2HD PRO 43 HD2 PRO 43 10.019 -9.747 3.748 341 H ILE 44 HN ILE 44 5.266 -12.889 4.369 342 HA ILE 44 HA ILE 44 4.982 -12.151 7.208 343 HB ILE 44 HB ILE 44 2.595 -12.978 5.629 344 1HG1 ILE 44 HG12 ILE 44 3.758 -11.272 4.233 345 2HG1 ILE 44 HG11 ILE 44 2.195 -10.723 4.824 346 1HG2 ILE 44 HG21 ILE 44 1.636 -11.136 7.171 347 2HG2 ILE 44 HG22 ILE 44 3.170 -11.287 8.029 348 3HG2 ILE 44 HG23 ILE 44 2.105 -12.684 7.874 349 1HD1 ILE 44 HD11 ILE 44 3.857 -9.805 6.768 350 2HD1 ILE 44 HD12 ILE 44 3.320 -8.869 5.373 351 3HD1 ILE 44 HD13 ILE 44 4.883 -9.687 5.338 352 H ALA 45 HN ALA 45 3.171 -14.483 5.262 353 HA ALA 45 HA ALA 45 3.380 -16.521 7.225 354 1HB ALA 45 HB1 ALA 45 1.791 -16.058 5.010 355 2HB ALA 45 HB2 ALA 45 1.749 -17.481 6.051 356 3HB ALA 45 HB3 ALA 45 2.717 -17.496 4.576 357 H PHE 46 HN PHE 46 3.807 -18.754 5.380 358 HA PHE 46 HA PHE 46 6.628 -19.014 5.690 359 1HB PHE 46 HB2 PHE 46 4.428 -20.718 4.613 360 2HB PHE 46 HB1 PHE 46 6.083 -21.127 4.174 361 HD1 PHE 46 HD1 PHE 46 7.748 -21.568 6.009 362 HD2 PHE 46 HD2 PHE 46 3.561 -21.273 6.717 363 HE1 PHE 46 HE1 PHE 46 8.033 -22.733 8.158 364 HE2 PHE 46 HE2 PHE 46 3.838 -22.437 8.866 365 HZ PHE 46 HZ PHE 46 6.075 -23.169 9.589 366 H GLY 47 HN GLY 47 4.519 -18.065 3.095 367 1HA GLY 47 HA1 GLY 47 6.850 -17.317 1.507 368 2HA GLY 47 HA2 GLY 47 5.745 -18.467 0.771 369 H LEU 48 HN LEU 48 4.018 -16.441 2.773 370 HA LEU 48 HA LEU 48 2.982 -14.968 0.496 371 1HB LEU 48 HB2 LEU 48 2.043 -15.370 3.326 372 2HB LEU 48 HB1 LEU 48 1.282 -14.211 2.253 373 HG LEU 48 HG LEU 48 0.827 -16.105 0.665 374 1HD1 LEU 48 HD21 LEU 48 1.244 -18.289 1.160 375 2HD1 LEU 48 HD22 LEU 48 1.251 -18.011 2.902 376 3HD1 LEU 48 HD23 LEU 48 2.639 -17.529 1.926 377 1HD2 LEU 48 HD11 LEU 48 -1.046 -17.013 1.979 378 2HD2 LEU 48 HD12 LEU 48 -0.920 -15.259 2.101 379 3HD2 LEU 48 HD13 LEU 48 -0.360 -16.277 3.428 380 H VAL 49 HN VAL 49 4.401 -13.336 0.050 381 HA VAL 49 HA VAL 49 5.357 -11.636 2.202 382 HB VAL 49 HB VAL 49 5.995 -11.632 -0.749 383 1HG1 VAL 49 HG21 VAL 49 6.271 -9.496 0.940 384 2HG1 VAL 49 HG22 VAL 49 7.234 -9.780 -0.509 385 3HG1 VAL 49 HG23 VAL 49 7.846 -10.279 1.068 386 1HG2 VAL 49 HG11 VAL 49 6.861 -13.304 1.347 387 2HG2 VAL 49 HG12 VAL 49 8.206 -12.233 0.956 388 3HG2 VAL 49 HG13 VAL 49 7.474 -13.224 -0.305 389 H ALA 50 HN ALA 50 4.522 -9.748 2.725 390 HA ALA 50 HA ALA 50 2.471 -8.544 1.029 391 1HB ALA 50 HB1 ALA 50 1.914 -7.183 2.956 392 2HB ALA 50 HB2 ALA 50 3.319 -7.804 3.828 393 3HB ALA 50 HB3 ALA 50 1.984 -8.885 3.423 394 H LEU 51 HN LEU 51 2.620 -6.498 0.190 395 HA LEU 51 HA LEU 51 5.295 -5.283 0.291 396 1HB LEU 51 HB2 LEU 51 3.377 -4.345 -1.743 397 2HB LEU 51 HB1 LEU 51 5.091 -4.678 -1.883 398 HG LEU 51 HG LEU 51 2.865 -6.716 -1.936 399 1HD1 LEU 51 HD21 LEU 51 4.166 -5.147 -3.969 400 2HD1 LEU 51 HD22 LEU 51 2.788 -6.240 -4.101 401 3HD1 LEU 51 HD23 LEU 51 4.428 -6.871 -4.236 402 1HD2 LEU 51 HD11 LEU 51 4.364 -8.218 -1.306 403 2HD2 LEU 51 HD12 LEU 51 5.657 -7.017 -1.319 404 3HD2 LEU 51 HD13 LEU 51 5.243 -7.883 -2.800 405 H ASN 52 HN ASN 52 5.522 -3.520 1.433 406 HA ASN 52 HA ASN 52 3.181 -2.086 2.382 407 1HB ASN 52 HB1 ASN 52 6.023 -1.380 3.075 408 2HB ASN 52 HB2 ASN 52 4.566 -1.194 4.048 409 1HD2 ASN 52 HD22 ASN 52 3.578 -3.849 3.539 410 2HD2 ASN 52 HD21 ASN 52 4.579 -4.934 4.437 411 H VAL 53 HN VAL 53 2.490 -0.987 0.606 412 HA VAL 53 HA VAL 53 4.279 0.733 -0.864 413 HB VAL 53 HB VAL 53 1.281 0.641 -1.114 414 1HG1 VAL 53 HG21 VAL 53 1.557 1.984 -2.867 415 2HG1 VAL 53 HG22 VAL 53 2.823 0.957 -3.536 416 3HG1 VAL 53 HG23 VAL 53 3.229 2.194 -2.347 417 1HG2 VAL 53 HG11 VAL 53 2.522 -0.940 -3.116 418 2HG2 VAL 53 HG12 VAL 53 1.353 -1.431 -1.889 419 3HG2 VAL 53 HG13 VAL 53 3.081 -1.504 -1.541 420 H MET 54 HN MET 54 4.911 2.520 0.132 421 HA MET 54 HA MET 54 3.147 4.003 1.880 422 1HB MET 54 HB1 MET 54 6.000 4.379 0.973 423 2HB MET 54 HB2 MET 54 5.164 5.593 1.932 424 1HG MET 54 HG1 MET 54 5.113 4.275 3.810 425 2HG MET 54 HG2 MET 54 5.229 2.775 2.891 426 1HE MET 54 HE1 MET 54 7.884 1.430 3.361 427 2HE MET 54 HE2 MET 54 6.587 1.862 4.475 428 3HE MET 54 HE3 MET 54 8.259 2.250 4.877 429 H VAL 55 HN VAL 55 3.047 6.444 1.562 430 HA VAL 55 HA VAL 55 2.857 7.178 -1.260 431 HB VAL 55 HB VAL 55 0.621 7.884 -1.189 432 1HG1 VAL 55 HG11 VAL 55 0.794 5.483 -1.407 433 2HG1 VAL 55 HG12 VAL 55 -0.651 5.896 -0.486 434 3HG1 VAL 55 HG13 VAL 55 0.785 5.300 0.348 435 1HG2 VAL 55 HG21 VAL 55 0.684 7.461 1.794 436 2HG2 VAL 55 HG22 VAL 55 -0.752 7.889 0.863 437 3HG2 VAL 55 HG23 VAL 55 0.608 9.009 0.950 438 H VAL 56 HN VAL 56 3.343 9.274 -1.675 439 HA VAL 56 HA VAL 56 4.105 10.921 0.630 440 HB VAL 56 HB VAL 56 4.676 12.085 -1.979 441 1HG1 VAL 56 HG11 VAL 56 6.388 11.324 0.383 442 2HG1 VAL 56 HG12 VAL 56 5.631 12.892 0.097 443 3HG1 VAL 56 HG13 VAL 56 6.908 12.319 -0.978 444 1HG2 VAL 56 HG21 VAL 56 5.388 10.285 -3.072 445 2HG2 VAL 56 HG22 VAL 56 5.200 9.261 -1.648 446 3HG2 VAL 56 HG23 VAL 56 6.688 10.175 -1.885 447 H VAL 57 HN VAL 57 2.607 12.271 1.350 448 HA VAL 57 HA VAL 57 1.008 13.754 -0.618 449 HB VAL 57 HB VAL 57 -0.966 13.653 0.774 450 1HG1 VAL 57 HG21 VAL 57 -0.354 10.786 0.757 451 2HG1 VAL 57 HG22 VAL 57 -0.021 11.621 -0.760 452 3HG1 VAL 57 HG23 VAL 57 -1.638 11.680 -0.057 453 1HG2 VAL 57 HG11 VAL 57 0.565 13.305 2.894 454 2HG2 VAL 57 HG12 VAL 57 0.211 11.606 2.579 455 3HG2 VAL 57 HG13 VAL 57 -1.106 12.745 2.864 456 H GLY 58 HN GLY 58 0.755 15.900 -0.222 457 1HA GLY 58 HA2 GLY 58 1.155 17.085 2.337 458 2HA GLY 58 HA1 GLY 58 2.581 17.277 1.327 459 H ASP 59 HN ASP 59 1.863 17.947 -1.051 460 HA ASP 59 HA ASP 59 0.545 20.492 -0.731 461 1HB ASP 59 HB1 ASP 59 1.818 19.146 -3.118 462 2HB ASP 59 HB2 ASP 59 1.081 20.743 -3.184 463 H ALA 60 HN ALA 60 -0.368 17.355 -1.490 464 HA ALA 60 HA ALA 60 -2.472 17.831 -3.330 465 1HB ALA 60 HB1 ALA 60 -2.387 15.550 -1.386 466 2HB ALA 60 HB2 ALA 60 -1.299 15.632 -2.770 467 3HB ALA 60 HB3 ALA 60 -3.044 15.583 -3.022 468 H GLU 61 HN GLU 61 -4.440 16.233 -1.716 469 HA GLU 61 HA GLU 61 -5.262 18.111 0.348 470 1HB GLU 61 HB1 GLU 61 -7.653 17.756 -0.923 471 2HB GLU 61 HB2 GLU 61 -6.643 19.187 -1.068 472 1HG GLU 61 HG1 GLU 61 -5.551 18.069 -3.046 473 2HG GLU 61 HG2 GLU 61 -6.827 16.856 -2.954 474 H GLY 62 HN GLY 62 -7.909 17.116 0.583 475 1HA GLY 62 HA1 GLY 62 -7.343 14.620 1.935 476 2HA GLY 62 HA2 GLY 62 -8.878 15.482 1.925 477 H GLY 63 HN GLY 63 -7.537 15.107 -1.151 478 1HA GLY 63 HA2 GLY 63 -9.674 13.449 -2.040 479 2HA GLY 63 HA1 GLY 63 -8.290 13.957 -2.995 480 H THR 64 HN THR 64 -6.996 12.605 -0.317 481 HA THR 64 HA THR 64 -6.266 10.203 -1.713 482 HB THR 64 HB THR 64 -4.722 9.825 -0.024 483 HG1 THR 64 HG1 THR 64 -5.769 11.483 1.912 484 1HG2 THR 64 HG21 THR 64 -4.067 12.175 0.919 485 2HG2 THR 64 HG22 THR 64 -5.218 12.738 -0.292 486 3HG2 THR 64 HG23 THR 64 -3.827 11.772 -0.779 487 H GLU 65 HN GLU 65 -8.931 11.099 0.004 488 HA GLU 65 HA GLU 65 -9.576 8.932 1.637 489 1HB GLU 65 HB2 GLU 65 -11.947 9.570 1.140 490 2HB GLU 65 HB1 GLU 65 -10.934 10.908 1.660 491 1HG GLU 65 HG2 GLU 65 -11.113 11.984 -0.299 492 2HG GLU 65 HG1 GLU 65 -11.074 10.495 -1.242 493 H ALA 66 HN ALA 66 -9.410 9.250 -1.760 494 HA ALA 66 HA ALA 66 -11.144 7.282 -2.666 495 1HB ALA 66 HB1 ALA 66 -8.683 8.549 -3.729 496 2HB ALA 66 HB2 ALA 66 -10.306 8.472 -4.414 497 3HB ALA 66 HB3 ALA 66 -9.241 7.070 -4.509 498 H ALA 67 HN ALA 67 -8.032 6.984 -1.131 499 HA ALA 67 HA ALA 67 -7.374 4.368 -1.890 500 1HB ALA 67 HB1 ALA 67 -5.651 4.567 -0.452 501 2HB ALA 67 HB2 ALA 67 -6.677 5.141 0.863 502 3HB ALA 67 HB3 ALA 67 -6.152 6.258 -0.398 503 H GLU 68 HN GLU 68 -8.987 5.506 1.080 504 HA GLU 68 HA GLU 68 -9.638 2.979 2.093 505 1HB GLU 68 HB1 GLU 68 -11.104 5.602 2.448 506 2HB GLU 68 HB2 GLU 68 -11.337 4.170 3.440 507 1HG GLU 68 HG2 GLU 68 -8.561 4.809 3.384 508 2HG GLU 68 HG1 GLU 68 -9.478 6.260 3.786 509 H GLU 69 HN GLU 69 -11.225 5.018 -0.276 510 HA GLU 69 HA GLU 69 -13.704 3.666 -0.368 511 1HB GLU 69 HB1 GLU 69 -12.559 5.877 -1.639 512 2HB GLU 69 HB2 GLU 69 -12.877 4.735 -2.938 513 1HG GLU 69 HG2 GLU 69 -15.183 4.680 -2.463 514 2HG GLU 69 HG1 GLU 69 -14.957 5.487 -0.912 515 H SER 70 HN SER 70 -10.750 3.372 -2.310 516 HA SER 70 HA SER 70 -11.647 1.232 -3.924 517 1HB SER 70 HB2 SER 70 -9.448 1.117 -4.738 518 2HB SER 70 HB1 SER 70 -9.597 2.802 -4.242 519 HG SER 70 HG SER 70 -8.326 0.684 -2.858 520 H LEU 71 HN LEU 71 -10.633 1.439 -0.679 521 HA LEU 71 HA LEU 71 -9.669 -1.225 -0.356 522 1HB LEU 71 HB1 LEU 71 -10.017 1.123 1.257 523 2HB LEU 71 HB2 LEU 71 -10.689 -0.258 2.097 524 HG LEU 71 HG LEU 71 -8.391 0.092 2.773 525 1HD1 LEU 71 HD11 LEU 71 -9.091 -2.188 2.777 526 2HD1 LEU 71 HD12 LEU 71 -7.442 -2.129 2.156 527 3HD1 LEU 71 HD13 LEU 71 -8.795 -2.339 1.045 528 1HD2 LEU 71 HD21 LEU 71 -7.520 1.253 0.864 529 2HD2 LEU 71 HD22 LEU 71 -7.756 -0.165 -0.160 530 3HD2 LEU 71 HD23 LEU 71 -6.554 -0.199 1.131 531 H SER 72 HN SER 72 -12.788 0.322 -0.222 532 HA SER 72 HA SER 72 -14.219 -1.700 1.122 533 1HB SER 72 HB2 SER 72 -15.877 -0.204 0.913 534 2HB SER 72 HB1 SER 72 -14.796 0.798 -0.058 535 HG SER 72 HG SER 72 -16.813 -0.961 -0.865 536 H GLY 73 HN GLY 73 -12.741 -1.688 -1.895 537 1HA GLY 73 HA2 GLY 73 -13.989 -4.234 -2.573 538 2HA GLY 73 HA1 GLY 73 -14.168 -2.941 -3.751 539 H ILE 74 HN ILE 74 -11.334 -3.151 -1.796 540 HA ILE 74 HA ILE 74 -9.627 -3.280 -4.074 541 HB ILE 74 HB ILE 74 -9.236 -2.149 -1.768 542 1HG1 ILE 74 HG11 ILE 74 -6.773 -3.564 -2.638 543 2HG1 ILE 74 HG12 ILE 74 -7.633 -2.629 -3.857 544 1HG2 ILE 74 HG21 ILE 74 -9.440 -4.569 -0.725 545 2HG2 ILE 74 HG22 ILE 74 -8.404 -3.330 -0.020 546 3HG2 ILE 74 HG23 ILE 74 -7.706 -4.582 -1.047 547 1HD1 ILE 74 HD11 ILE 74 -6.436 -1.649 -1.287 548 2HD1 ILE 74 HD12 ILE 74 -7.535 -0.683 -2.273 549 3HD1 ILE 74 HD13 ILE 74 -5.989 -1.213 -2.937 550 H GLU 75 HN GLU 75 -7.532 -4.943 -3.093 551 HA GLU 75 HA GLU 75 -8.079 -7.371 -4.270 552 1HB GLU 75 HB2 GLU 75 -6.020 -6.350 -2.396 553 2HB GLU 75 HB1 GLU 75 -6.166 -8.099 -2.509 554 1HG GLU 75 HG2 GLU 75 -4.530 -7.545 -4.063 555 2HG GLU 75 HG1 GLU 75 -5.987 -7.781 -5.030 556 H GLY 76 HN GLY 76 -9.891 -8.469 -3.697 557 1HA GLY 76 HA1 GLY 76 -10.916 -8.755 -1.104 558 2HA GLY 76 HA2 GLY 76 -11.287 -9.806 -2.463 559 H VAL 77 HN VAL 77 -8.515 -10.634 -2.836 560 HA VAL 77 HA VAL 77 -8.442 -12.683 -0.771 561 HB VAL 77 HB VAL 77 -6.497 -12.411 -3.049 562 1HG1 VAL 77 HG21 VAL 77 -5.967 -14.015 -1.269 563 2HG1 VAL 77 HG22 VAL 77 -6.291 -14.821 -2.804 564 3HG1 VAL 77 HG23 VAL 77 -7.518 -14.814 -1.537 565 1HG2 VAL 77 HG11 VAL 77 -9.348 -13.129 -3.138 566 2HG2 VAL 77 HG12 VAL 77 -8.258 -14.236 -3.973 567 3HG2 VAL 77 HG13 VAL 77 -8.284 -12.528 -4.410 568 H SER 78 HN SER 78 -6.504 -10.013 -1.972 569 HA SER 78 HA SER 78 -4.486 -10.463 0.076 570 1HB SER 78 HB2 SER 78 -4.520 -8.306 -2.039 571 2HB SER 78 HB1 SER 78 -3.133 -8.900 -1.134 572 HG SER 78 HG SER 78 -3.672 -9.690 -3.434 573 H ASN 79 HN ASN 79 -5.534 -9.836 1.966 574 HA ASN 79 HA ASN 79 -6.804 -7.231 2.109 575 1HB ASN 79 HB2 ASN 79 -7.356 -9.398 3.536 576 2HB ASN 79 HB1 ASN 79 -6.110 -8.733 4.588 577 1HD2 ASN 79 HD21 ASN 79 -6.515 -6.043 4.551 578 2HD2 ASN 79 HD22 ASN 79 -8.104 -5.668 5.114 579 H ILE 80 HN ILE 80 -5.947 -5.432 2.899 580 HA ILE 80 HA ILE 80 -3.072 -5.491 3.336 581 HB ILE 80 HB ILE 80 -4.831 -3.086 2.954 582 1HG1 ILE 80 HG11 ILE 80 -3.346 -3.743 0.601 583 2HG1 ILE 80 HG12 ILE 80 -4.294 -5.148 1.078 584 1HG2 ILE 80 HG21 ILE 80 -2.967 -1.937 3.198 585 2HG2 ILE 80 HG22 ILE 80 -2.209 -2.844 1.891 586 3HG2 ILE 80 HG23 ILE 80 -2.106 -3.433 3.549 587 1HD1 ILE 80 HD11 ILE 80 -5.401 -2.383 0.673 588 2HD1 ILE 80 HD12 ILE 80 -6.319 -3.848 1.024 589 3HD1 ILE 80 HD13 ILE 80 -5.462 -3.689 -0.510 590 H GLU 81 HN GLU 81 -2.061 -4.473 5.015 591 HA GLU 81 HA GLU 81 -3.613 -4.054 7.443 592 1HB GLU 81 HB2 GLU 81 -1.450 -5.316 7.546 593 2HB GLU 81 HB1 GLU 81 -0.619 -3.865 7.003 594 1HG GLU 81 HG1 GLU 81 -0.316 -3.517 9.190 595 2HG GLU 81 HG2 GLU 81 -1.962 -2.889 9.126 596 H VAL 82 HN VAL 82 -4.686 -2.331 6.273 597 HA VAL 82 HA VAL 82 -3.210 -0.019 5.462 598 HB VAL 82 HB VAL 82 -6.192 -0.493 5.692 599 1HG1 VAL 82 HG21 VAL 82 -6.537 1.618 5.019 600 2HG1 VAL 82 HG22 VAL 82 -5.343 1.464 3.730 601 3HG1 VAL 82 HG23 VAL 82 -4.832 1.927 5.354 602 1HG2 VAL 82 HG11 VAL 82 -5.576 -1.987 4.084 603 2HG2 VAL 82 HG12 VAL 82 -4.180 -1.034 3.572 604 3HG2 VAL 82 HG13 VAL 82 -5.807 -0.542 3.096 605 H THR 83 HN THR 83 -2.398 -0.162 7.892 606 HA THR 83 HA THR 83 -3.864 1.937 9.318 607 HB THR 83 HB THR 83 -2.524 -0.275 10.846 608 HG1 THR 83 HG1 THR 83 -5.264 -0.274 10.146 609 1HG2 THR 83 HG21 THR 83 -4.888 0.620 12.066 610 2HG2 THR 83 HG22 THR 83 -4.000 2.051 11.544 611 3HG2 THR 83 HG23 THR 83 -3.223 0.866 12.592 612 H ASP 84 HN ASP 84 -1.055 1.151 7.809 613 HA ASP 84 HA ASP 84 0.748 2.203 9.833 614 1HB ASP 84 HB1 ASP 84 1.320 0.285 8.268 615 2HB ASP 84 HB2 ASP 84 1.439 1.487 6.989 616 H VAL 85 HN VAL 85 1.347 4.265 9.995 617 HA VAL 85 HA VAL 85 1.334 5.991 7.665 618 HB VAL 85 HB VAL 85 -0.985 6.010 8.768 619 1HG1 VAL 85 HG11 VAL 85 -1.291 6.806 10.835 620 2HG1 VAL 85 HG12 VAL 85 -0.109 8.097 10.616 621 3HG1 VAL 85 HG13 VAL 85 0.427 6.475 11.057 622 1HG2 VAL 85 HG21 VAL 85 0.459 8.633 8.418 623 2HG2 VAL 85 HG22 VAL 85 -1.277 8.356 8.275 624 3HG2 VAL 85 HG23 VAL 85 -0.170 7.640 7.104 625 H ARG 86 HN ARG 86 2.649 7.772 7.845 626 HA ARG 86 HA ARG 86 4.088 8.170 10.363 627 1HB ARG 86 HB2 ARG 86 5.248 8.220 7.605 628 2HB ARG 86 HB1 ARG 86 6.130 8.451 9.101 629 1HG ARG 86 HG1 ARG 86 6.594 6.292 8.552 630 2HG ARG 86 HG2 ARG 86 5.279 6.097 9.697 631 1HD ARG 86 HD1 ARG 86 3.842 5.361 8.100 632 2HD ARG 86 HD2 ARG 86 4.582 6.336 6.830 633 HE ARG 86 HE ARG 86 5.786 4.500 6.253 634 1HH1 ARG 86 HH11 ARG 86 4.991 4.231 9.638 635 2HH1 ARG 86 HH12 ARG 86 5.747 2.684 9.822 636 1HH2 ARG 86 HH21 ARG 86 6.780 2.467 6.490 637 2HH2 ARG 86 HH22 ARG 86 6.763 1.682 8.034 638 H ARG 87 HN ARG 87 3.267 10.066 10.991 639 HA ARG 87 HA ARG 87 2.828 12.238 9.130 640 1HB ARG 87 HB1 ARG 87 2.285 11.740 12.011 641 2HB ARG 87 HB2 ARG 87 2.468 13.415 11.509 642 1HG ARG 87 HG1 ARG 87 0.675 11.716 9.884 643 2HG ARG 87 HG2 ARG 87 0.129 12.155 11.503 644 1HD ARG 87 HD2 ARG 87 1.186 14.492 10.350 645 2HD ARG 87 HD1 ARG 87 0.177 13.737 9.116 646 HE ARG 87 HE ARG 87 -0.765 14.475 11.812 647 1HH1 ARG 87 HH21 ARG 87 -1.304 13.979 8.405 648 2HH1 ARG 87 HH22 ARG 87 -2.954 14.502 8.461 649 1HH2 ARG 87 HH12 ARG 87 -2.935 15.163 11.894 650 2HH2 ARG 87 HH11 ARG 87 -3.881 15.175 10.444 651 H LEU 88 HN LEU 88 5.004 12.537 8.361 652 HA LEU 88 HA LEU 88 7.052 13.317 10.243 653 1HB LEU 88 HB1 LEU 88 7.685 14.049 7.536 654 2HB LEU 88 HB2 LEU 88 8.477 12.901 8.595 655 HG LEU 88 HG LEU 88 6.020 12.209 6.999 656 1HD1 LEU 88 HD11 LEU 88 7.235 11.805 5.160 657 2HD1 LEU 88 HD12 LEU 88 8.596 11.165 6.084 658 3HD1 LEU 88 HD13 LEU 88 8.411 12.910 5.878 659 1HD2 LEU 88 HD21 LEU 88 8.005 10.183 7.747 660 2HD2 LEU 88 HD22 LEU 88 6.242 10.134 7.820 661 3HD2 LEU 88 HD23 LEU 88 7.157 10.934 9.103 662 H MET 89 HN MET 89 6.310 15.164 11.262 663 HA MET 89 HA MET 89 5.585 17.471 9.633 664 1HB MET 89 HB1 MET 89 5.152 18.544 11.871 665 2HB MET 89 HB2 MET 89 4.160 17.138 11.513 666 1HG MET 89 HG2 MET 89 5.570 15.754 12.919 667 2HG MET 89 HG1 MET 89 6.626 17.129 13.238 668 1HE MET 89 HE1 MET 89 2.288 17.626 13.863 669 2HE MET 89 HE2 MET 89 2.578 16.006 14.497 670 3HE MET 89 HE3 MET 89 3.047 16.403 12.844 Start of MODEL 10 1 1H MET 1 HT1 MET 1 12.222 15.481 4.593 2 2H MET 1 HT2 MET 1 10.636 14.850 4.773 3 3H MET 1 HT3 MET 1 11.996 13.862 5.115 4 HA MET 1 HA MET 1 11.262 14.467 7.163 5 1HB MET 1 HB2 MET 1 13.712 15.157 6.313 6 2HB MET 1 HB1 MET 1 13.131 16.748 6.784 7 1HG MET 1 HG1 MET 1 12.948 16.169 9.013 8 2HG MET 1 HG2 MET 1 12.879 14.443 8.664 9 1HE MET 1 HE1 MET 1 14.514 13.043 8.025 10 2HE MET 1 HE2 MET 1 16.119 13.090 8.756 11 3HE MET 1 HE3 MET 1 15.887 13.649 7.100 12 H GLY 2 HN GLY 2 9.167 15.433 5.845 13 1HA GLY 2 HA1 GLY 2 8.238 17.541 7.437 14 2HA GLY 2 HA2 GLY 2 8.771 18.230 5.910 15 H ASP 3 HN ASP 3 7.953 15.364 4.895 16 HA ASP 3 HA ASP 3 5.247 16.201 4.163 17 1HB ASP 3 HB1 ASP 3 7.110 14.116 3.020 18 2HB ASP 3 HB2 ASP 3 5.442 14.313 2.489 19 H VAL 4 HN VAL 4 3.545 14.539 4.050 20 HA VAL 4 HA VAL 4 3.675 12.770 6.390 21 HB VAL 4 HB VAL 4 1.112 13.055 4.947 22 1HG1 VAL 4 HG21 VAL 4 0.863 13.609 7.679 23 2HG1 VAL 4 HG22 VAL 4 2.101 12.359 7.556 24 3HG1 VAL 4 HG23 VAL 4 0.503 12.091 6.857 25 1HG2 VAL 4 HG11 VAL 4 2.035 15.321 6.693 26 2HG2 VAL 4 HG12 VAL 4 0.594 15.230 5.680 27 3HG2 VAL 4 HG13 VAL 4 2.188 15.361 4.937 28 H VAL 5 HN VAL 5 4.119 10.687 6.023 29 HA VAL 5 HA VAL 5 3.485 9.584 3.366 30 HB VAL 5 HB VAL 5 5.497 8.535 5.365 31 1HG1 VAL 5 HG11 VAL 5 5.436 6.700 4.112 32 2HG1 VAL 5 HG12 VAL 5 6.099 7.656 2.787 33 3HG1 VAL 5 HG13 VAL 5 4.354 7.459 2.945 34 1HG2 VAL 5 HG21 VAL 5 6.632 9.545 2.928 35 2HG2 VAL 5 HG22 VAL 5 6.986 9.995 4.596 36 3HG2 VAL 5 HG23 VAL 5 5.684 10.802 3.723 37 H ALA 6 HN ALA 6 1.810 8.235 3.272 38 HA ALA 6 HA ALA 6 0.924 6.837 5.696 39 1HB ALA 6 HB1 ALA 6 -1.083 6.265 4.371 40 2HB ALA 6 HB2 ALA 6 -0.407 7.153 3.006 41 3HB ALA 6 HB3 ALA 6 -0.821 8.004 4.494 42 H THR 7 HN THR 7 0.350 4.474 5.444 43 HA THR 7 HA THR 7 1.903 3.172 3.339 44 HB THR 7 HB THR 7 2.209 2.323 6.206 45 HG1 THR 7 HG1 THR 7 3.640 3.823 6.437 46 1HG2 THR 7 HG21 THR 7 2.808 0.558 4.776 47 2HG2 THR 7 HG22 THR 7 4.318 1.322 5.278 48 3HG2 THR 7 HG23 THR 7 3.660 1.642 3.669 49 H ILE 8 HN ILE 8 1.021 1.497 2.487 50 HA ILE 8 HA ILE 8 -1.262 0.176 3.808 51 HB ILE 8 HB ILE 8 -0.870 0.377 0.828 52 1HG1 ILE 8 HG12 ILE 8 -0.959 2.662 2.004 53 2HG1 ILE 8 HG11 ILE 8 -2.113 2.378 0.705 54 1HG2 ILE 8 HG21 ILE 8 -2.964 -0.571 2.657 55 2HG2 ILE 8 HG22 ILE 8 -2.508 -1.136 1.050 56 3HG2 ILE 8 HG23 ILE 8 -3.515 0.303 1.225 57 1HD1 ILE 8 HD11 ILE 8 -2.755 3.399 3.111 58 2HD1 ILE 8 HD12 ILE 8 -3.069 1.687 3.394 59 3HD1 ILE 8 HD13 ILE 8 -3.883 2.526 2.072 60 H LYS 9 HN LYS 9 -0.481 -1.766 4.520 61 HA LYS 9 HA LYS 9 1.535 -3.186 2.947 62 1HB LYS 9 HB1 LYS 9 0.578 -4.409 5.449 63 2HB LYS 9 HB2 LYS 9 2.212 -4.186 4.845 64 1HG LYS 9 HG2 LYS 9 0.873 -1.702 5.624 65 2HG LYS 9 HG1 LYS 9 1.118 -2.845 6.941 66 1HD LYS 9 HD2 LYS 9 3.330 -2.101 5.061 67 2HD LYS 9 HD1 LYS 9 2.960 -1.147 6.498 68 1HE LYS 9 HE2 LYS 9 3.642 -4.083 6.474 69 2HE LYS 9 HE1 LYS 9 4.749 -2.782 6.907 70 1HZ LYS 9 HZ1 LYS 9 3.832 -2.568 8.925 71 2HZ LYS 9 HZ2 LYS 9 3.234 -4.128 8.659 72 3HZ LYS 9 HZ3 LYS 9 2.251 -2.783 8.363 73 H VAL 10 HN VAL 10 0.396 -4.050 1.257 74 HA VAL 10 HA VAL 10 -1.946 -5.678 1.793 75 HB VAL 10 HB VAL 10 -2.601 -5.181 -0.272 76 1HG1 VAL 10 HG21 VAL 10 -0.312 -3.563 -1.093 77 2HG1 VAL 10 HG22 VAL 10 -0.911 -3.189 0.524 78 3HG1 VAL 10 HG23 VAL 10 -2.000 -3.111 -0.862 79 1HG2 VAL 10 HG11 VAL 10 -1.154 -6.997 -1.151 80 2HG2 VAL 10 HG12 VAL 10 0.120 -5.805 -1.406 81 3HG2 VAL 10 HG13 VAL 10 -1.402 -5.672 -2.289 82 H MET 11 HN MET 11 -2.096 -7.859 1.669 83 HA MET 11 HA MET 11 0.106 -9.388 0.553 84 1HB MET 11 HB2 MET 11 0.837 -10.429 2.450 85 2HB MET 11 HB1 MET 11 0.358 -8.888 3.143 86 1HG MET 11 HG1 MET 11 -1.389 -9.764 4.276 87 2HG MET 11 HG2 MET 11 -1.703 -11.003 3.064 88 1HE MET 11 HE1 MET 11 -1.379 -13.644 4.166 89 2HE MET 11 HE2 MET 11 0.339 -13.931 3.892 90 3HE MET 11 HE3 MET 11 -0.600 -13.010 2.717 91 HA PRO 12 HA PRO 12 -3.470 -11.713 -0.797 92 1HB PRO 12 HB1 PRO 12 -1.485 -13.550 -1.951 93 2HB PRO 12 HB2 PRO 12 -2.688 -12.545 -2.765 94 1HG PRO 12 HG1 PRO 12 -0.059 -12.008 -2.901 95 2HG PRO 12 HG2 PRO 12 -1.281 -10.724 -2.877 96 1HD PRO 12 HD2 PRO 12 0.425 -11.753 -0.632 97 2HD PRO 12 HD1 PRO 12 0.048 -10.075 -1.077 98 H GLU 13 HN GLU 13 -4.532 -13.040 0.526 99 HA GLU 13 HA GLU 13 -3.389 -14.546 2.574 100 1HB GLU 13 HB1 GLU 13 -6.068 -14.699 1.207 101 2HB GLU 13 HB2 GLU 13 -5.645 -15.771 2.535 102 1HG GLU 13 HG1 GLU 13 -5.464 -12.787 2.777 103 2HG GLU 13 HG2 GLU 13 -6.957 -13.670 3.096 104 H SER 14 HN SER 14 -4.016 -15.358 -0.766 105 HA SER 14 HA SER 14 -3.609 -18.180 -0.400 106 1HB SER 14 HB2 SER 14 -4.553 -16.485 -2.487 107 2HB SER 14 HB1 SER 14 -3.199 -17.419 -3.125 108 HG SER 14 HG SER 14 -4.601 -19.128 -1.768 109 HA PRO 15 HA PRO 15 0.781 -18.352 -0.617 110 1HB PRO 15 HB2 PRO 15 1.187 -20.679 -1.968 111 2HB PRO 15 HB1 PRO 15 0.643 -20.618 -0.287 112 1HG PRO 15 HG2 PRO 15 -0.961 -21.011 -2.787 113 2HG PRO 15 HG1 PRO 15 -1.080 -21.864 -1.236 114 1HD PRO 15 HD2 PRO 15 -2.784 -19.886 -1.928 115 2HD PRO 15 HD1 PRO 15 -2.281 -20.155 -0.246 116 H ASP 16 HN ASP 16 -1.100 -17.827 -3.306 117 HA ASP 16 HA ASP 16 1.101 -17.808 -5.221 118 1HB ASP 16 HB2 ASP 16 -1.767 -17.000 -5.708 119 2HB ASP 16 HB1 ASP 16 -0.550 -17.414 -6.911 120 H VAL 17 HN VAL 17 1.434 -16.083 -3.108 121 HA VAL 17 HA VAL 17 0.469 -13.473 -3.522 122 HB VAL 17 HB VAL 17 2.991 -14.376 -2.119 123 1HG1 VAL 17 HG21 VAL 17 1.831 -11.702 -2.563 124 2HG1 VAL 17 HG22 VAL 17 3.490 -12.178 -2.195 125 3HG1 VAL 17 HG23 VAL 17 2.300 -12.061 -0.899 126 1HG2 VAL 17 HG11 VAL 17 0.300 -14.753 -1.456 127 2HG2 VAL 17 HG12 VAL 17 0.870 -13.446 -0.419 128 3HG2 VAL 17 HG13 VAL 17 1.706 -14.998 -0.420 129 H ASP 18 HN ASP 18 0.784 -13.284 -5.880 130 HA ASP 18 HA ASP 18 3.421 -13.109 -6.987 131 1HB ASP 18 HB1 ASP 18 0.686 -12.326 -7.972 132 2HB ASP 18 HB2 ASP 18 2.139 -11.911 -8.877 133 H LEU 19 HN LEU 19 4.682 -11.650 -5.937 134 HA LEU 19 HA LEU 19 3.774 -9.207 -4.900 135 1HB LEU 19 HB2 LEU 19 5.905 -8.862 -4.172 136 2HB LEU 19 HB1 LEU 19 5.936 -10.596 -4.419 137 HG LEU 19 HG LEU 19 6.791 -9.665 -6.852 138 1HD1 LEU 19 HD11 LEU 19 7.052 -7.505 -5.035 139 2HD1 LEU 19 HD12 LEU 19 7.600 -7.609 -6.707 140 3HD1 LEU 19 HD13 LEU 19 8.668 -8.115 -5.397 141 1HD2 LEU 19 HD21 LEU 19 8.487 -11.018 -6.357 142 2HD2 LEU 19 HD22 LEU 19 7.739 -11.234 -4.774 143 3HD2 LEU 19 HD23 LEU 19 8.990 -10.011 -5.000 144 H GLU 20 HN GLU 20 5.497 -9.911 -7.941 145 HA GLU 20 HA GLU 20 5.593 -7.196 -8.760 146 1HB GLU 20 HB1 GLU 20 7.171 -8.623 -9.748 147 2HB GLU 20 HB2 GLU 20 5.960 -9.813 -10.196 148 1HG GLU 20 HG2 GLU 20 5.071 -8.287 -11.873 149 2HG GLU 20 HG1 GLU 20 6.263 -7.073 -11.410 150 H ALA 21 HN ALA 21 3.286 -9.785 -9.247 151 HA ALA 21 HA ALA 21 1.703 -8.374 -11.162 152 1HB ALA 21 HB1 ALA 21 0.712 -10.496 -9.275 153 2HB ALA 21 HB2 ALA 21 1.611 -10.859 -10.748 154 3HB ALA 21 HB3 ALA 21 0.050 -10.045 -10.847 155 H LEU 22 HN LEU 22 1.804 -8.646 -7.689 156 HA LEU 22 HA LEU 22 -0.531 -7.115 -7.142 157 1HB LEU 22 HB2 LEU 22 1.020 -8.689 -5.638 158 2HB LEU 22 HB1 LEU 22 1.774 -7.157 -5.252 159 HG LEU 22 HG LEU 22 0.122 -6.567 -3.859 160 1HD1 LEU 22 HD21 LEU 22 -1.436 -6.054 -5.660 161 2HD1 LEU 22 HD22 LEU 22 -2.275 -6.835 -4.314 162 3HD1 LEU 22 HD23 LEU 22 -1.889 -7.756 -5.767 163 1HD2 LEU 22 HD11 LEU 22 0.243 -8.507 -2.745 164 2HD2 LEU 22 HD12 LEU 22 -0.063 -9.479 -4.185 165 3HD2 LEU 22 HD13 LEU 22 -1.405 -8.710 -3.339 166 H LYS 23 HN LYS 23 2.798 -6.429 -7.807 167 HA LYS 23 HA LYS 23 3.067 -3.839 -6.865 168 1HB LYS 23 HB2 LYS 23 4.464 -5.596 -8.666 169 2HB LYS 23 HB1 LYS 23 4.442 -3.969 -9.328 170 1HG LYS 23 HG2 LYS 23 6.121 -3.440 -8.000 171 2HG LYS 23 HG1 LYS 23 5.086 -3.723 -6.598 172 1HD LYS 23 HD2 LYS 23 6.253 -5.529 -6.057 173 2HD LYS 23 HD1 LYS 23 5.977 -6.226 -7.654 174 1HE LYS 23 HE2 LYS 23 8.409 -5.635 -6.723 175 2HE LYS 23 HE1 LYS 23 7.998 -5.581 -8.436 176 1HZ LYS 23 HZ1 LYS 23 9.196 -3.589 -7.554 177 2HZ LYS 23 HZ2 LYS 23 7.812 -3.220 -6.654 178 3HZ LYS 23 HZ3 LYS 23 7.739 -3.248 -8.343 179 H LYS 24 HN LYS 24 1.904 -4.958 -10.028 180 HA LYS 24 HA LYS 24 1.462 -2.334 -11.054 181 1HB LYS 24 HB2 LYS 24 0.255 -3.485 -12.857 182 2HB LYS 24 HB1 LYS 24 1.798 -4.243 -12.514 183 1HG LYS 24 HG1 LYS 24 0.817 -6.076 -11.450 184 2HG LYS 24 HG2 LYS 24 -0.759 -5.276 -11.375 185 1HD LYS 24 HD2 LYS 24 -1.271 -6.332 -13.271 186 2HD LYS 24 HD1 LYS 24 -0.110 -5.274 -14.077 187 1HE LYS 24 HE2 LYS 24 1.356 -7.351 -12.841 188 2HE LYS 24 HE1 LYS 24 0.004 -8.099 -13.689 189 1HZ LYS 24 HZ1 LYS 24 2.115 -7.756 -15.002 190 2HZ LYS 24 HZ2 LYS 24 1.763 -6.101 -14.983 191 3HZ LYS 24 HZ3 LYS 24 0.693 -7.185 -15.720 192 H GLU 25 HN GLU 25 -0.507 -4.754 -9.468 193 HA GLU 25 HA GLU 25 -2.997 -3.415 -9.745 194 1HB GLU 25 HB1 GLU 25 -2.100 -5.379 -7.626 195 2HB GLU 25 HB2 GLU 25 -3.765 -4.902 -7.931 196 1HG GLU 25 HG2 GLU 25 -2.088 -6.122 -10.088 197 2HG GLU 25 HG1 GLU 25 -2.918 -7.122 -8.896 198 H ILE 26 HN ILE 26 -0.335 -3.125 -7.566 199 HA ILE 26 HA ILE 26 -1.582 -1.740 -5.460 200 HB ILE 26 HB ILE 26 1.200 -2.195 -6.366 201 1HG1 ILE 26 HG12 ILE 26 0.437 -2.094 -3.508 202 2HG1 ILE 26 HG11 ILE 26 -0.415 -3.286 -4.484 203 1HG2 ILE 26 HG21 ILE 26 1.871 -0.553 -4.426 204 2HG2 ILE 26 HG22 ILE 26 0.367 0.250 -4.883 205 3HG2 ILE 26 HG23 ILE 26 1.649 0.031 -6.075 206 1HD1 ILE 26 HD11 ILE 26 1.515 -4.470 -4.951 207 2HD1 ILE 26 HD12 ILE 26 1.747 -3.972 -3.275 208 3HD1 ILE 26 HD13 ILE 26 2.565 -3.103 -4.575 209 H GLN 27 HN GLN 27 0.100 -0.613 -8.367 210 HA GLN 27 HA GLN 27 -0.044 2.130 -7.826 211 1HB GLN 27 HB1 GLN 27 -0.016 0.750 -10.516 212 2HB GLN 27 HB2 GLN 27 0.366 2.441 -10.226 213 1HG GLN 27 HG1 GLN 27 1.954 0.664 -8.578 214 2HG GLN 27 HG2 GLN 27 2.147 0.335 -10.301 215 1HE2 GLN 27 HE21 GLN 27 3.868 1.612 -8.161 216 2HE2 GLN 27 HE22 GLN 27 4.405 3.087 -8.881 217 H GLU 28 HN GLU 28 -2.360 -0.071 -9.306 218 HA GLU 28 HA GLU 28 -4.088 2.052 -10.199 219 1HB GLU 28 HB2 GLU 28 -5.552 0.349 -10.972 220 2HB GLU 28 HB1 GLU 28 -3.914 -0.202 -11.291 221 1HG GLU 28 HG1 GLU 28 -3.977 -1.695 -9.432 222 2HG GLU 28 HG2 GLU 28 -5.537 -1.055 -8.913 223 H ARG 29 HN ARG 29 -3.651 0.284 -7.284 224 HA ARG 29 HA ARG 29 -6.305 0.920 -6.285 225 1HB ARG 29 HB2 ARG 29 -5.876 -0.530 -4.532 226 2HB ARG 29 HB1 ARG 29 -4.941 -1.244 -5.836 227 1HG ARG 29 HG1 ARG 29 -2.909 -0.485 -4.943 228 2HG ARG 29 HG2 ARG 29 -3.715 0.641 -3.846 229 1HD ARG 29 HD2 ARG 29 -2.996 -1.233 -2.549 230 2HD ARG 29 HD1 ARG 29 -4.742 -1.346 -2.718 231 HE ARG 29 HE ARG 29 -3.470 -2.819 -4.762 232 1HH1 ARG 29 HH12 ARG 29 -4.107 -2.903 -1.338 233 2HH1 ARG 29 HH11 ARG 29 -4.062 -4.631 -1.242 234 1HH2 ARG 29 HH21 ARG 29 -3.410 -5.096 -4.643 235 2HH2 ARG 29 HH22 ARG 29 -3.666 -5.878 -3.118 236 H ILE 30 HN ILE 30 -3.357 2.465 -6.491 237 HA ILE 30 HA ILE 30 -3.049 3.735 -4.034 238 HB ILE 30 HB ILE 30 -2.416 4.753 -6.804 239 1HG1 ILE 30 HG11 ILE 30 -1.258 2.679 -6.095 240 2HG1 ILE 30 HG12 ILE 30 -0.151 4.027 -6.328 241 1HG2 ILE 30 HG21 ILE 30 -0.863 5.865 -4.596 242 2HG2 ILE 30 HG22 ILE 30 -2.568 6.323 -4.562 243 3HG2 ILE 30 HG23 ILE 30 -1.590 6.664 -5.990 244 1HD1 ILE 30 HD11 ILE 30 0.131 2.496 -4.277 245 2HD1 ILE 30 HD12 ILE 30 -1.222 3.411 -3.612 246 3HD1 ILE 30 HD13 ILE 30 0.265 4.242 -4.068 247 HA PRO 31 HA PRO 31 -6.548 6.446 -3.547 248 1HB PRO 31 HB2 PRO 31 -5.100 8.573 -2.441 249 2HB PRO 31 HB1 PRO 31 -5.856 7.257 -1.547 250 1HG PRO 31 HG2 PRO 31 -3.019 7.587 -2.400 251 2HG PRO 31 HG1 PRO 31 -3.673 6.878 -0.911 252 1HD PRO 31 HD1 PRO 31 -2.726 5.326 -2.863 253 2HD PRO 31 HD2 PRO 31 -4.175 4.861 -1.947 254 H GLU 32 HN GLU 32 -7.375 7.397 -5.288 255 HA GLU 32 HA GLU 32 -5.938 8.602 -7.354 256 1HB GLU 32 HB1 GLU 32 -8.721 8.173 -6.659 257 2HB GLU 32 HB2 GLU 32 -8.489 9.721 -7.460 258 1HG GLU 32 HG2 GLU 32 -7.316 8.549 -9.294 259 2HG GLU 32 HG1 GLU 32 -7.691 7.016 -8.506 260 H GLY 33 HN GLY 33 -6.149 9.815 -4.325 261 1HA GLY 33 HA1 GLY 33 -6.678 12.578 -4.978 262 2HA GLY 33 HA2 GLY 33 -6.187 11.950 -3.414 263 H THR 34 HN THR 34 -3.821 10.997 -3.531 264 HA THR 34 HA THR 34 -2.177 13.103 -4.765 265 HB THR 34 HB THR 34 -1.082 11.382 -2.598 266 HG1 THR 34 HG1 THR 34 -2.685 11.864 -1.342 267 1HG2 THR 34 HG21 THR 34 -0.856 14.281 -3.323 268 2HG2 THR 34 HG22 THR 34 0.401 13.044 -3.336 269 3HG2 THR 34 HG23 THR 34 -0.252 13.623 -1.802 270 H GLU 35 HN GLU 35 0.160 11.261 -3.880 271 HA GLU 35 HA GLU 35 -0.018 9.299 -6.056 272 1HB GLU 35 HB1 GLU 35 2.184 11.312 -5.602 273 2HB GLU 35 HB2 GLU 35 2.405 9.868 -6.581 274 1HG GLU 35 HG1 GLU 35 1.264 10.711 -8.313 275 2HG GLU 35 HG2 GLU 35 0.051 11.466 -7.278 276 H LEU 36 HN LEU 36 1.776 7.682 -5.939 277 HA LEU 36 HA LEU 36 1.892 6.627 -3.286 278 1HB LEU 36 HB1 LEU 36 3.344 4.861 -4.423 279 2HB LEU 36 HB2 LEU 36 1.679 5.007 -4.956 280 HG LEU 36 HG LEU 36 3.256 6.706 -6.601 281 1HD1 LEU 36 HD11 LEU 36 4.351 3.908 -6.348 282 2HD1 LEU 36 HD12 LEU 36 5.196 5.404 -5.948 283 3HD1 LEU 36 HD13 LEU 36 4.760 5.059 -7.621 284 1HD2 LEU 36 HD21 LEU 36 2.534 4.941 -8.318 285 2HD2 LEU 36 HD22 LEU 36 1.276 5.832 -7.460 286 3HD2 LEU 36 HD23 LEU 36 1.679 4.185 -6.972 287 H HIS 37 HN HIS 37 4.244 5.509 -2.864 288 HA HIS 37 HA HIS 37 6.260 7.642 -2.986 289 1HB HIS 37 HB1 HIS 37 5.175 7.651 -0.764 290 2HB HIS 37 HB2 HIS 37 5.615 5.967 -0.554 291 HD2 HIS 37 HD2 HIS 37 8.134 5.482 0.331 292 HE1 HIS 37 HE1 HIS 37 9.404 9.520 0.326 293 HE2 HIS 37 HE2 HIS 37 10.006 7.150 1.003 294 H LYS 38 HN LYS 38 6.273 4.530 -1.358 295 HA LYS 38 HA LYS 38 7.856 3.200 -3.364 296 1HB LYS 38 HB1 LYS 38 9.046 4.147 -0.758 297 2HB LYS 38 HB2 LYS 38 9.704 2.775 -1.631 298 1HG LYS 38 HG1 LYS 38 9.446 5.557 -2.743 299 2HG LYS 38 HG2 LYS 38 10.918 4.872 -2.053 300 1HD LYS 38 HD2 LYS 38 10.333 2.958 -3.840 301 2HD LYS 38 HD1 LYS 38 9.623 4.351 -4.658 302 1HE LYS 38 HE2 LYS 38 12.101 5.233 -3.730 303 2HE LYS 38 HE1 LYS 38 12.395 3.610 -4.358 304 1HZ LYS 38 HZ1 LYS 38 12.677 5.039 -6.169 305 2HZ LYS 38 HZ2 LYS 38 11.305 5.954 -5.795 306 3HZ LYS 38 HZ3 LYS 38 11.135 4.382 -6.394 307 H ILE 39 HN ILE 39 7.662 0.979 -3.135 308 HA ILE 39 HA ILE 39 5.932 0.105 -0.976 309 HB ILE 39 HB ILE 39 6.915 -1.703 -3.134 310 1HG1 ILE 39 HG12 ILE 39 6.126 0.031 -4.485 311 2HG1 ILE 39 HG11 ILE 39 4.738 -1.038 -4.326 312 1HG2 ILE 39 HG21 ILE 39 5.707 -2.854 -1.500 313 2HG2 ILE 39 HG22 ILE 39 4.531 -2.566 -2.783 314 3HG2 ILE 39 HG23 ILE 39 4.524 -1.556 -1.336 315 1HD1 ILE 39 HD11 ILE 39 4.191 1.356 -4.184 316 2HD1 ILE 39 HD12 ILE 39 5.140 1.443 -2.699 317 3HD1 ILE 39 HD13 ILE 39 3.706 0.420 -2.772 318 H ASP 40 HN ASP 40 6.372 -2.079 0.003 319 HA ASP 40 HA ASP 40 9.250 -2.508 0.460 320 1HB ASP 40 HB1 ASP 40 7.585 -1.384 2.309 321 2HB ASP 40 HB2 ASP 40 7.453 -3.091 2.717 322 H GLU 41 HN GLU 41 9.840 -4.541 0.027 323 HA GLU 41 HA GLU 41 7.812 -6.588 -0.296 324 1HB GLU 41 HB1 GLU 41 10.812 -6.819 -0.612 325 2HB GLU 41 HB2 GLU 41 9.608 -7.972 -1.171 326 1HG GLU 41 HG1 GLU 41 8.773 -6.401 -2.782 327 2HG GLU 41 HG2 GLU 41 9.828 -5.137 -2.154 328 H GLU 42 HN GLU 42 7.340 -6.320 2.097 329 HA GLU 42 HA GLU 42 9.217 -7.754 3.820 330 1HB GLU 42 HB1 GLU 42 7.256 -5.677 4.217 331 2HB GLU 42 HB2 GLU 42 6.927 -7.029 5.292 332 1HG GLU 42 HG2 GLU 42 9.644 -6.708 5.520 333 2HG GLU 42 HG1 GLU 42 9.053 -5.051 5.370 334 HA PRO 43 HA PRO 43 6.628 -11.339 3.424 335 1HB PRO 43 HB1 PRO 43 8.106 -13.024 4.923 336 2HB PRO 43 HB2 PRO 43 8.606 -12.489 3.317 337 1HG PRO 43 HG2 PRO 43 9.638 -11.706 5.974 338 2HG PRO 43 HG1 PRO 43 10.450 -11.690 4.402 339 1HD PRO 43 HD1 PRO 43 9.293 -9.483 5.776 340 2HD PRO 43 HD2 PRO 43 9.990 -9.492 4.149 341 H ILE 44 HN ILE 44 5.236 -12.659 4.612 342 HA ILE 44 HA ILE 44 4.756 -11.787 7.386 343 HB ILE 44 HB ILE 44 2.500 -12.694 5.654 344 1HG1 ILE 44 HG12 ILE 44 3.718 -10.989 4.328 345 2HG1 ILE 44 HG11 ILE 44 2.128 -10.430 4.832 346 1HG2 ILE 44 HG21 ILE 44 1.559 -12.312 7.655 347 2HG2 ILE 44 HG22 ILE 44 1.624 -10.616 7.174 348 3HG2 ILE 44 HG23 ILE 44 2.890 -11.290 8.200 349 1HD1 ILE 44 HD11 ILE 44 3.166 -8.589 5.521 350 2HD1 ILE 44 HD12 ILE 44 4.756 -9.343 5.398 351 3HD1 ILE 44 HD13 ILE 44 3.785 -9.560 6.855 352 H ALA 45 HN ALA 45 3.070 -14.217 5.455 353 HA ALA 45 HA ALA 45 3.143 -16.144 7.533 354 1HB ALA 45 HB1 ALA 45 2.637 -16.995 4.735 355 2HB ALA 45 HB2 ALA 45 1.532 -15.827 5.459 356 3HB ALA 45 HB3 ALA 45 1.772 -17.401 6.217 357 H PHE 46 HN PHE 46 3.668 -18.458 5.759 358 HA PHE 46 HA PHE 46 6.445 -18.757 6.334 359 1HB PHE 46 HB2 PHE 46 4.756 -20.542 4.573 360 2HB PHE 46 HB1 PHE 46 6.226 -20.976 5.441 361 HD1 PHE 46 HD1 PHE 46 2.638 -20.522 5.657 362 HD2 PHE 46 HD2 PHE 46 6.193 -21.242 7.884 363 HE1 PHE 46 HE1 PHE 46 1.284 -21.274 7.568 364 HE2 PHE 46 HE2 PHE 46 4.844 -21.997 9.799 365 HZ PHE 46 HZ PHE 46 2.386 -22.013 9.642 366 H GLY 47 HN GLY 47 4.584 -17.885 3.518 367 1HA GLY 47 HA1 GLY 47 7.053 -17.163 2.144 368 2HA GLY 47 HA2 GLY 47 6.037 -18.351 1.345 369 H LEU 48 HN LEU 48 4.110 -16.246 3.095 370 HA LEU 48 HA LEU 48 3.324 -14.884 0.644 371 1HB LEU 48 HB2 LEU 48 1.965 -14.610 3.308 372 2HB LEU 48 HB1 LEU 48 1.293 -14.347 1.712 373 HG LEU 48 HG LEU 48 1.789 -16.932 3.144 374 1HD1 LEU 48 HD11 LEU 48 -0.470 -15.349 2.417 375 2HD1 LEU 48 HD12 LEU 48 -0.418 -16.849 3.343 376 3HD1 LEU 48 HD13 LEU 48 -0.567 -16.903 1.586 377 1HD2 LEU 48 HD21 LEU 48 1.323 -16.710 0.176 378 2HD2 LEU 48 HD22 LEU 48 1.509 -18.188 1.123 379 3HD2 LEU 48 HD23 LEU 48 2.877 -17.094 0.916 380 H VAL 49 HN VAL 49 4.667 -13.229 0.247 381 HA VAL 49 HA VAL 49 5.472 -11.446 2.392 382 HB VAL 49 HB VAL 49 6.254 -11.572 -0.520 383 1HG1 VAL 49 HG21 VAL 49 8.005 -9.979 1.119 384 2HG1 VAL 49 HG22 VAL 49 6.367 -9.327 1.139 385 3HG1 VAL 49 HG23 VAL 49 7.202 -9.565 -0.395 386 1HG2 VAL 49 HG11 VAL 49 7.792 -13.030 0.131 387 2HG2 VAL 49 HG12 VAL 49 7.123 -12.989 1.762 388 3HG2 VAL 49 HG13 VAL 49 8.416 -11.877 1.310 389 H ALA 50 HN ALA 50 4.568 -9.557 2.811 390 HA ALA 50 HA ALA 50 2.506 -8.520 1.034 391 1HB ALA 50 HB1 ALA 50 1.826 -7.143 2.883 392 2HB ALA 50 HB2 ALA 50 3.287 -7.556 3.782 393 3HB ALA 50 HB3 ALA 50 2.068 -8.791 3.466 394 H LEU 51 HN LEU 51 2.534 -6.521 0.117 395 HA LEU 51 HA LEU 51 5.138 -5.163 0.051 396 1HB LEU 51 HB2 LEU 51 2.838 -5.417 -1.846 397 2HB LEU 51 HB1 LEU 51 3.830 -3.977 -1.932 398 HG LEU 51 HG LEU 51 5.819 -5.368 -2.326 399 1HD1 LEU 51 HD11 LEU 51 5.507 -7.403 -1.304 400 2HD1 LEU 51 HD12 LEU 51 5.198 -7.821 -2.990 401 3HD1 LEU 51 HD13 LEU 51 3.848 -7.564 -1.883 402 1HD2 LEU 51 HD21 LEU 51 5.127 -6.250 -4.571 403 2HD2 LEU 51 HD22 LEU 51 4.719 -4.561 -4.270 404 3HD2 LEU 51 HD23 LEU 51 3.471 -5.803 -4.157 405 H ASN 52 HN ASN 52 5.351 -3.379 1.214 406 HA ASN 52 HA ASN 52 2.984 -2.050 2.261 407 1HB ASN 52 HB1 ASN 52 5.832 -1.307 2.908 408 2HB ASN 52 HB2 ASN 52 4.390 -1.097 3.895 409 1HD2 ASN 52 HD22 ASN 52 3.396 -3.773 3.358 410 2HD2 ASN 52 HD21 ASN 52 4.381 -4.849 4.281 411 H VAL 53 HN VAL 53 2.201 -0.909 0.579 412 HA VAL 53 HA VAL 53 3.778 0.857 -0.983 413 HB VAL 53 HB VAL 53 0.772 0.690 -0.757 414 1HG1 VAL 53 HG21 VAL 53 1.652 1.317 -3.371 415 2HG1 VAL 53 HG22 VAL 53 2.485 2.395 -2.251 416 3HG1 VAL 53 HG23 VAL 53 0.724 2.319 -2.254 417 1HG2 VAL 53 HG11 VAL 53 2.385 -0.692 -2.861 418 2HG2 VAL 53 HG12 VAL 53 0.737 -1.015 -2.322 419 3HG2 VAL 53 HG13 VAL 53 2.102 -1.457 -1.296 420 H MET 54 HN MET 54 4.626 2.558 0.067 421 HA MET 54 HA MET 54 3.032 4.164 1.877 422 1HB MET 54 HB1 MET 54 5.887 4.293 0.916 423 2HB MET 54 HB2 MET 54 5.177 5.590 1.865 424 1HG MET 54 HG1 MET 54 4.998 4.283 3.763 425 2HG MET 54 HG2 MET 54 5.061 2.776 2.852 426 1HE MET 54 HE1 MET 54 6.527 2.059 4.847 427 2HE MET 54 HE2 MET 54 8.277 2.037 4.627 428 3HE MET 54 HE3 MET 54 7.227 1.290 3.421 429 H VAL 55 HN VAL 55 2.891 6.531 1.560 430 HA VAL 55 HA VAL 55 2.866 7.333 -1.257 431 HB VAL 55 HB VAL 55 0.653 8.129 -1.242 432 1HG1 VAL 55 HG11 VAL 55 -0.658 6.068 -0.344 433 2HG1 VAL 55 HG12 VAL 55 0.953 5.405 -0.069 434 3HG1 VAL 55 HG13 VAL 55 0.461 5.880 -1.694 435 1HG2 VAL 55 HG21 VAL 55 -0.805 8.121 0.728 436 2HG2 VAL 55 HG22 VAL 55 0.615 9.135 0.973 437 3HG2 VAL 55 HG23 VAL 55 0.535 7.536 1.711 438 H VAL 56 HN VAL 56 3.460 9.411 -1.609 439 HA VAL 56 HA VAL 56 4.200 10.976 0.756 440 HB VAL 56 HB VAL 56 4.926 12.267 -1.710 441 1HG1 VAL 56 HG11 VAL 56 6.689 12.794 -0.460 442 2HG1 VAL 56 HG12 VAL 56 7.099 11.099 -0.201 443 3HG1 VAL 56 HG13 VAL 56 5.927 11.894 0.851 444 1HG2 VAL 56 HG21 VAL 56 6.472 10.625 -2.609 445 2HG2 VAL 56 HG22 VAL 56 4.820 10.010 -2.666 446 3HG2 VAL 56 HG23 VAL 56 5.931 9.439 -1.421 447 H VAL 57 HN VAL 57 2.809 12.440 1.472 448 HA VAL 57 HA VAL 57 1.263 13.989 -0.491 449 HB VAL 57 HB VAL 57 -0.699 13.979 0.891 450 1HG1 VAL 57 HG21 VAL 57 -1.062 12.177 -0.407 451 2HG1 VAL 57 HG22 VAL 57 -0.863 11.287 1.102 452 3HG1 VAL 57 HG23 VAL 57 0.495 11.448 -0.012 453 1HG2 VAL 57 HG11 VAL 57 -0.095 11.986 2.833 454 2HG2 VAL 57 HG12 VAL 57 -0.618 13.651 3.083 455 3HG2 VAL 57 HG13 VAL 57 1.101 13.276 2.954 456 H GLY 58 HN GLY 58 0.751 16.137 0.122 457 1HA GLY 58 HA2 GLY 58 1.575 17.234 2.625 458 2HA GLY 58 HA1 GLY 58 2.750 17.576 1.363 459 H ASP 59 HN ASP 59 1.868 18.601 -0.636 460 HA ASP 59 HA ASP 59 0.201 20.830 0.123 461 1HB ASP 59 HB2 ASP 59 2.295 20.805 -1.453 462 2HB ASP 59 HB1 ASP 59 1.131 20.332 -2.686 463 H ALA 60 HN ALA 60 -0.444 17.772 -0.854 464 HA ALA 60 HA ALA 60 -2.464 18.126 -2.803 465 1HB ALA 60 HB1 ALA 60 -1.212 15.997 -2.204 466 2HB ALA 60 HB2 ALA 60 -2.943 15.846 -2.513 467 3HB ALA 60 HB3 ALA 60 -2.338 15.846 -0.856 468 H GLU 61 HN GLU 61 -4.441 16.412 -1.371 469 HA GLU 61 HA GLU 61 -5.530 18.199 0.651 470 1HB GLU 61 HB1 GLU 61 -7.797 17.831 -0.738 471 2HB GLU 61 HB2 GLU 61 -6.762 19.235 -0.956 472 1HG GLU 61 HG1 GLU 61 -5.773 18.300 -2.907 473 2HG GLU 61 HG2 GLU 61 -6.546 16.742 -2.620 474 H GLY 62 HN GLY 62 -8.065 17.124 0.831 475 1HA GLY 62 HA1 GLY 62 -7.470 14.559 2.035 476 2HA GLY 62 HA2 GLY 62 -9.006 15.414 2.099 477 H GLY 63 HN GLY 63 -7.650 15.160 -1.008 478 1HA GLY 63 HA2 GLY 63 -9.831 13.607 -1.976 479 2HA GLY 63 HA1 GLY 63 -8.419 14.094 -2.899 480 H THR 64 HN THR 64 -7.107 12.645 -0.330 481 HA THR 64 HA THR 64 -6.521 10.244 -1.784 482 HB THR 64 HB THR 64 -4.875 9.863 -0.242 483 HG1 THR 64 HG1 THR 64 -5.195 10.717 2.009 484 1HG2 THR 64 HG21 THR 64 -4.551 12.178 -0.996 485 2HG2 THR 64 HG22 THR 64 -3.910 11.886 0.620 486 3HG2 THR 64 HG23 THR 64 -5.439 12.742 0.420 487 H GLU 65 HN GLU 65 -9.133 11.171 -0.046 488 HA GLU 65 HA GLU 65 -9.796 9.017 1.604 489 1HB GLU 65 HB2 GLU 65 -12.162 9.689 1.119 490 2HB GLU 65 HB1 GLU 65 -11.127 11.008 1.642 491 1HG GLU 65 HG2 GLU 65 -11.263 12.086 -0.330 492 2HG GLU 65 HG1 GLU 65 -11.325 10.592 -1.264 493 H ALA 66 HN ALA 66 -9.636 9.334 -1.791 494 HA ALA 66 HA ALA 66 -11.393 7.380 -2.691 495 1HB ALA 66 HB1 ALA 66 -10.274 8.909 -4.206 496 2HB ALA 66 HB2 ALA 66 -9.969 7.241 -4.691 497 3HB ALA 66 HB3 ALA 66 -8.717 8.158 -3.849 498 H ALA 67 HN ALA 67 -8.283 7.050 -1.158 499 HA ALA 67 HA ALA 67 -7.640 4.437 -1.924 500 1HB ALA 67 HB1 ALA 67 -6.551 6.361 -0.235 501 2HB ALA 67 HB2 ALA 67 -5.868 4.782 -0.626 502 3HB ALA 67 HB3 ALA 67 -6.876 4.975 0.808 503 H GLU 68 HN GLU 68 -9.276 5.560 1.041 504 HA GLU 68 HA GLU 68 -9.917 3.033 2.047 505 1HB GLU 68 HB1 GLU 68 -11.427 5.635 2.375 506 2HB GLU 68 HB2 GLU 68 -11.651 4.202 3.368 507 1HG GLU 68 HG2 GLU 68 -8.998 4.560 3.644 508 2HG GLU 68 HG1 GLU 68 -9.521 6.228 3.414 509 H GLU 69 HN GLU 69 -11.527 5.067 -0.323 510 HA GLU 69 HA GLU 69 -13.974 3.675 -0.465 511 1HB GLU 69 HB1 GLU 69 -12.917 5.919 -1.663 512 2HB GLU 69 HB2 GLU 69 -13.010 4.783 -3.001 513 1HG GLU 69 HG2 GLU 69 -15.346 4.524 -2.741 514 2HG GLU 69 HG1 GLU 69 -15.334 5.357 -1.188 515 H SER 70 HN SER 70 -10.998 3.417 -2.378 516 HA SER 70 HA SER 70 -11.850 1.259 -3.987 517 1HB SER 70 HB2 SER 70 -9.799 1.430 -4.951 518 2HB SER 70 HB1 SER 70 -9.690 2.921 -4.013 519 HG SER 70 HG SER 70 -7.908 1.315 -3.832 520 H LEU 71 HN LEU 71 -10.838 1.475 -0.734 521 HA LEU 71 HA LEU 71 -9.841 -1.179 -0.429 522 1HB LEU 71 HB2 LEU 71 -10.190 1.151 1.194 523 2HB LEU 71 HB1 LEU 71 -10.847 -0.234 2.041 524 HG LEU 71 HG LEU 71 -8.529 0.159 2.674 525 1HD1 LEU 71 HD11 LEU 71 -7.595 -2.105 1.980 526 2HD1 LEU 71 HD12 LEU 71 -9.104 -2.324 1.093 527 3HD1 LEU 71 HD13 LEU 71 -9.135 -2.096 2.841 528 1HD2 LEU 71 HD21 LEU 71 -7.965 -0.181 -0.264 529 2HD2 LEU 71 HD22 LEU 71 -6.731 -0.218 0.994 530 3HD2 LEU 71 HD23 LEU 71 -7.672 1.249 0.726 531 H SER 72 HN SER 72 -12.976 0.320 -0.303 532 HA SER 72 HA SER 72 -14.389 -1.697 1.064 533 1HB SER 72 HB2 SER 72 -16.132 -0.305 0.759 534 2HB SER 72 HB1 SER 72 -14.997 0.779 -0.046 535 HG SER 72 HG SER 72 -15.915 0.340 -1.882 536 H GLY 73 HN GLY 73 -12.895 -1.721 -1.944 537 1HA GLY 73 HA2 GLY 73 -14.106 -4.294 -2.586 538 2HA GLY 73 HA1 GLY 73 -14.292 -3.025 -3.787 539 H ILE 74 HN ILE 74 -11.482 -3.137 -1.807 540 HA ILE 74 HA ILE 74 -9.743 -3.278 -4.060 541 HB ILE 74 HB ILE 74 -9.433 -2.091 -1.764 542 1HG1 ILE 74 HG12 ILE 74 -6.862 -3.327 -2.448 543 2HG1 ILE 74 HG11 ILE 74 -7.749 -2.705 -3.837 544 1HG2 ILE 74 HG21 ILE 74 -8.090 -3.311 -0.152 545 2HG2 ILE 74 HG22 ILE 74 -8.205 -4.768 -1.139 546 3HG2 ILE 74 HG23 ILE 74 -9.651 -4.094 -0.388 547 1HD1 ILE 74 HD11 ILE 74 -6.825 -0.748 -3.350 548 2HD1 ILE 74 HD12 ILE 74 -6.330 -1.286 -1.745 549 3HD1 ILE 74 HD13 ILE 74 -7.963 -0.672 -2.005 550 H GLU 75 HN GLU 75 -7.613 -4.834 -3.140 551 HA GLU 75 HA GLU 75 -8.092 -7.315 -4.190 552 1HB GLU 75 HB2 GLU 75 -5.974 -5.991 -2.731 553 2HB GLU 75 HB1 GLU 75 -6.097 -7.679 -2.241 554 1HG GLU 75 HG2 GLU 75 -4.552 -7.615 -4.011 555 2HG GLU 75 HG1 GLU 75 -6.046 -8.271 -4.680 556 H GLY 76 HN GLY 76 -9.805 -8.494 -3.523 557 1HA GLY 76 HA1 GLY 76 -10.687 -8.723 -0.850 558 2HA GLY 76 HA2 GLY 76 -11.167 -9.762 -2.181 559 H VAL 77 HN VAL 77 -8.410 -10.611 -2.730 560 HA VAL 77 HA VAL 77 -8.268 -12.706 -0.722 561 HB VAL 77 HB VAL 77 -6.421 -12.332 -3.075 562 1HG1 VAL 77 HG21 VAL 77 -5.706 -14.470 -2.713 563 2HG1 VAL 77 HG22 VAL 77 -7.227 -14.974 -1.975 564 3HG1 VAL 77 HG23 VAL 77 -6.080 -14.001 -1.054 565 1HG2 VAL 77 HG11 VAL 77 -8.823 -12.341 -3.763 566 2HG2 VAL 77 HG12 VAL 77 -8.962 -13.949 -3.052 567 3HG2 VAL 77 HG13 VAL 77 -7.871 -13.677 -4.410 568 H SER 78 HN SER 78 -6.422 -9.947 -1.828 569 HA SER 78 HA SER 78 -4.350 -10.448 0.160 570 1HB SER 78 HB1 SER 78 -3.590 -9.802 -2.078 571 2HB SER 78 HB2 SER 78 -4.562 -8.336 -1.999 572 HG SER 78 HG SER 78 -2.194 -8.268 -1.423 573 H ASN 79 HN ASN 79 -5.409 -9.975 2.099 574 HA ASN 79 HA ASN 79 -6.775 -7.442 2.420 575 1HB ASN 79 HB2 ASN 79 -7.182 -9.679 3.763 576 2HB ASN 79 HB1 ASN 79 -5.892 -9.047 4.781 577 1HD2 ASN 79 HD21 ASN 79 -6.425 -6.310 4.772 578 2HD2 ASN 79 HD22 ASN 79 -7.960 -6.037 5.514 579 H ILE 80 HN ILE 80 -5.934 -5.625 3.112 580 HA ILE 80 HA ILE 80 -3.056 -5.584 3.501 581 HB ILE 80 HB ILE 80 -4.925 -3.267 3.094 582 1HG1 ILE 80 HG11 ILE 80 -3.646 -3.636 0.698 583 2HG1 ILE 80 HG12 ILE 80 -3.952 -5.294 1.209 584 1HG2 ILE 80 HG21 ILE 80 -2.316 -2.929 2.012 585 2HG2 ILE 80 HG22 ILE 80 -2.192 -3.441 3.694 586 3HG2 ILE 80 HG23 ILE 80 -3.128 -2.007 3.277 587 1HD1 ILE 80 HD11 ILE 80 -5.905 -4.961 0.163 588 2HD1 ILE 80 HD12 ILE 80 -5.821 -3.208 0.335 589 3HD1 ILE 80 HD13 ILE 80 -6.359 -4.201 1.689 590 H GLU 81 HN GLU 81 -2.044 -4.448 5.120 591 HA GLU 81 HA GLU 81 -3.550 -4.077 7.586 592 1HB GLU 81 HB2 GLU 81 -1.255 -5.199 7.537 593 2HB GLU 81 HB1 GLU 81 -0.593 -3.620 7.140 594 1HG GLU 81 HG1 GLU 81 -0.502 -3.126 9.289 595 2HG GLU 81 HG2 GLU 81 -2.255 -3.285 9.397 596 H VAL 82 HN VAL 82 -4.749 -2.453 6.386 597 HA VAL 82 HA VAL 82 -3.440 -0.082 5.485 598 HB VAL 82 HB VAL 82 -6.383 -0.713 5.829 599 1HG1 VAL 82 HG21 VAL 82 -6.745 1.441 5.326 600 2HG1 VAL 82 HG22 VAL 82 -5.968 1.161 3.768 601 3HG1 VAL 82 HG23 VAL 82 -5.015 1.731 5.139 602 1HG2 VAL 82 HG11 VAL 82 -6.086 -0.835 3.233 603 2HG2 VAL 82 HG12 VAL 82 -5.716 -2.227 4.255 604 3HG2 VAL 82 HG13 VAL 82 -4.412 -1.198 3.655 605 H THR 83 HN THR 83 -2.638 -0.281 7.991 606 HA THR 83 HA THR 83 -4.036 1.915 9.327 607 HB THR 83 HB THR 83 -2.838 -0.303 10.954 608 HG1 THR 83 HG1 THR 83 -5.518 -0.485 10.771 609 1HG2 THR 83 HG21 THR 83 -4.020 0.515 12.717 610 2HG2 THR 83 HG22 THR 83 -5.271 1.225 11.695 611 3HG2 THR 83 HG23 THR 83 -3.695 2.005 11.830 612 H ASP 84 HN ASP 84 -1.318 1.142 7.797 613 HA ASP 84 HA ASP 84 0.592 1.964 9.816 614 1HB ASP 84 HB2 ASP 84 0.874 1.192 6.914 615 2HB ASP 84 HB1 ASP 84 2.227 1.742 7.899 616 H VAL 85 HN VAL 85 1.687 3.865 9.880 617 HA VAL 85 HA VAL 85 1.155 5.914 7.877 618 HB VAL 85 HB VAL 85 -0.599 6.027 9.719 619 1HG1 VAL 85 HG11 VAL 85 0.086 6.011 11.828 620 2HG1 VAL 85 HG12 VAL 85 0.819 7.593 11.565 621 3HG1 VAL 85 HG13 VAL 85 1.773 6.129 11.326 622 1HG2 VAL 85 HG21 VAL 85 -0.753 8.339 9.540 623 2HG2 VAL 85 HG22 VAL 85 0.212 7.894 8.131 624 3HG2 VAL 85 HG23 VAL 85 0.997 8.556 9.565 625 H ARG 86 HN ARG 86 2.585 7.744 8.028 626 HA ARG 86 HA ARG 86 4.883 7.468 9.808 627 1HB ARG 86 HB1 ARG 86 4.913 7.263 6.826 628 2HB ARG 86 HB2 ARG 86 6.284 7.993 7.651 629 1HG ARG 86 HG2 ARG 86 5.596 5.574 8.978 630 2HG ARG 86 HG1 ARG 86 5.736 5.268 7.246 631 1HD ARG 86 HD1 ARG 86 7.841 5.125 8.772 632 2HD ARG 86 HD2 ARG 86 7.956 5.881 7.183 633 HE ARG 86 HE ARG 86 7.378 7.935 8.886 634 1HH1 ARG 86 HH11 ARG 86 9.865 5.499 8.724 635 2HH1 ARG 86 HH12 ARG 86 11.065 6.492 9.482 636 1HH2 ARG 86 HH21 ARG 86 8.952 9.248 9.883 637 2HH2 ARG 86 HH22 ARG 86 10.546 8.622 10.141 638 H ARG 87 HN ARG 87 4.791 9.340 10.824 639 HA ARG 87 HA ARG 87 4.049 11.787 9.453 640 1HB ARG 87 HB1 ARG 87 4.625 11.048 12.302 641 2HB ARG 87 HB2 ARG 87 4.629 12.739 11.819 642 1HG ARG 87 HG1 ARG 87 2.285 11.353 10.844 643 2HG ARG 87 HG2 ARG 87 2.439 11.240 12.598 644 1HD ARG 87 HD2 ARG 87 3.064 13.881 12.014 645 2HD ARG 87 HD1 ARG 87 1.713 13.503 10.946 646 HE ARG 87 HE ARG 87 0.353 13.143 12.823 647 1HH1 ARG 87 HH11 ARG 87 3.607 14.027 13.707 648 2HH1 ARG 87 HH12 ARG 87 3.193 14.418 15.342 649 1HH2 ARG 87 HH21 ARG 87 -0.199 13.658 14.975 650 2HH2 ARG 87 HH22 ARG 87 1.030 14.208 16.063 651 H LEU 88 HN LEU 88 5.817 11.925 7.959 652 HA LEU 88 HA LEU 88 8.506 12.168 8.995 653 1HB LEU 88 HB1 LEU 88 7.249 12.252 6.293 654 2HB LEU 88 HB2 LEU 88 8.801 13.033 6.502 655 HG LEU 88 HG LEU 88 9.728 10.879 7.320 656 1HD1 LEU 88 HD21 LEU 88 7.561 9.938 8.088 657 2HD1 LEU 88 HD22 LEU 88 8.477 8.843 7.052 658 3HD1 LEU 88 HD23 LEU 88 7.098 9.729 6.400 659 1HD2 LEU 88 HD11 LEU 88 8.880 11.609 4.681 660 2HD2 LEU 88 HD12 LEU 88 8.928 9.852 4.846 661 3HD2 LEU 88 HD13 LEU 88 10.368 10.810 5.197 662 H MET 89 HN MET 89 8.262 13.932 10.437 663 HA MET 89 HA MET 89 7.538 16.517 9.298 664 1HB MET 89 HB2 MET 89 8.487 16.327 12.102 665 2HB MET 89 HB1 MET 89 7.142 17.237 11.429 666 1HG MET 89 HG2 MET 89 6.312 14.657 11.100 667 2HG MET 89 HG1 MET 89 7.203 14.576 12.619 668 1HE MET 89 HE1 MET 89 3.436 15.527 11.344 669 2HE MET 89 HE2 MET 89 4.751 16.365 10.519 670 3HE MET 89 HE3 MET 89 3.681 17.254 11.605 Start of MODEL 11 1 1H MET 1 HT1 MET 1 10.924 18.114 8.341 2 2H MET 1 HT2 MET 1 9.709 18.172 7.131 3 3H MET 1 HT3 MET 1 10.007 16.711 7.979 4 HA MET 1 HA MET 1 8.688 17.251 9.593 5 1HB MET 1 HB2 MET 1 10.724 19.029 9.949 6 2HB MET 1 HB1 MET 1 9.354 20.118 9.777 7 1HG MET 1 HG1 MET 1 8.341 19.375 11.696 8 2HG MET 1 HG2 MET 1 9.136 17.802 11.634 9 1HE MET 1 HE1 MET 1 11.206 17.559 13.919 10 2HE MET 1 HE2 MET 1 12.506 18.161 12.890 11 3HE MET 1 HE3 MET 1 11.193 17.215 12.189 12 H GLY 2 HN GLY 2 7.376 17.093 7.426 13 1HA GLY 2 HA1 GLY 2 5.136 18.725 7.672 14 2HA GLY 2 HA2 GLY 2 6.136 19.445 6.419 15 H ASP 3 HN ASP 3 6.800 16.253 6.319 16 HA ASP 3 HA ASP 3 5.010 15.874 4.034 17 1HB ASP 3 HB1 ASP 3 7.217 13.991 4.821 18 2HB ASP 3 HB2 ASP 3 6.504 14.252 3.232 19 H VAL 4 HN VAL 4 3.307 14.554 4.101 20 HA VAL 4 HA VAL 4 2.959 12.856 6.467 21 HB VAL 4 HB VAL 4 0.827 13.278 4.406 22 1HG1 VAL 4 HG21 VAL 4 -0.659 12.794 6.199 23 2HG1 VAL 4 HG22 VAL 4 0.632 12.940 7.392 24 3HG1 VAL 4 HG23 VAL 4 0.628 11.590 6.257 25 1HG2 VAL 4 HG11 VAL 4 0.610 15.440 4.855 26 2HG2 VAL 4 HG12 VAL 4 2.053 15.370 5.866 27 3HG2 VAL 4 HG13 VAL 4 0.464 15.083 6.577 28 H VAL 5 HN VAL 5 3.927 10.930 6.142 29 HA VAL 5 HA VAL 5 3.579 9.608 3.538 30 HB VAL 5 HB VAL 5 5.569 9.141 5.759 31 1HG1 VAL 5 HG11 VAL 5 5.587 7.003 5.092 32 2HG1 VAL 5 HG12 VAL 5 6.424 7.608 3.661 33 3HG1 VAL 5 HG13 VAL 5 4.678 7.356 3.621 34 1HG2 VAL 5 HG21 VAL 5 7.157 9.627 3.814 35 2HG2 VAL 5 HG22 VAL 5 6.261 10.984 4.495 36 3HG2 VAL 5 HG23 VAL 5 5.737 10.255 2.977 37 H ALA 6 HN ALA 6 1.975 8.163 3.426 38 HA ALA 6 HA ALA 6 1.150 6.730 5.853 39 1HB ALA 6 HB1 ALA 6 -0.890 7.123 5.057 40 2HB ALA 6 HB2 ALA 6 -0.535 5.987 3.755 41 3HB ALA 6 HB3 ALA 6 -0.240 7.711 3.526 42 H THR 7 HN THR 7 0.587 4.351 5.502 43 HA THR 7 HA THR 7 2.225 3.094 3.448 44 HB THR 7 HB THR 7 2.531 2.291 6.332 45 HG1 THR 7 HG1 THR 7 3.886 4.162 4.784 46 1HG2 THR 7 HG21 THR 7 4.618 1.221 5.417 47 2HG2 THR 7 HG22 THR 7 3.928 1.470 3.811 48 3HG2 THR 7 HG23 THR 7 3.088 0.454 4.988 49 H ILE 8 HN ILE 8 1.292 1.470 2.549 50 HA ILE 8 HA ILE 8 -0.988 0.138 3.867 51 HB ILE 8 HB ILE 8 -0.587 0.487 0.898 52 1HG1 ILE 8 HG12 ILE 8 -0.780 2.668 2.304 53 2HG1 ILE 8 HG11 ILE 8 -1.806 2.477 0.888 54 1HG2 ILE 8 HG21 ILE 8 -3.186 0.264 1.129 55 2HG2 ILE 8 HG22 ILE 8 -2.754 -0.530 2.647 56 3HG2 ILE 8 HG23 ILE 8 -2.139 -1.157 1.115 57 1HD1 ILE 8 HD11 ILE 8 -2.994 1.514 3.386 58 2HD1 ILE 8 HD12 ILE 8 -3.688 2.499 2.097 59 3HD1 ILE 8 HD13 ILE 8 -2.672 3.247 3.331 60 H LYS 9 HN LYS 9 -0.297 -1.870 4.494 61 HA LYS 9 HA LYS 9 1.662 -3.294 2.844 62 1HB LYS 9 HB1 LYS 9 0.801 -4.570 5.335 63 2HB LYS 9 HB2 LYS 9 2.417 -4.273 4.711 64 1HG LYS 9 HG2 LYS 9 1.088 -1.829 5.549 65 2HG LYS 9 HG1 LYS 9 1.220 -3.008 6.849 66 1HD LYS 9 HD2 LYS 9 3.563 -2.289 5.125 67 2HD LYS 9 HD1 LYS 9 3.130 -1.353 6.556 68 1HE LYS 9 HE2 LYS 9 3.617 -4.324 6.590 69 2HE LYS 9 HE1 LYS 9 4.866 -3.127 6.931 70 1HZ LYS 9 HZ1 LYS 9 4.164 -3.099 9.016 71 2HZ LYS 9 HZ2 LYS 9 2.889 -4.151 8.659 72 3HZ LYS 9 HZ3 LYS 9 2.673 -2.481 8.507 73 H VAL 10 HN VAL 10 0.474 -4.164 1.185 74 HA VAL 10 HA VAL 10 -1.889 -5.742 1.797 75 HB VAL 10 HB VAL 10 -2.595 -5.248 -0.252 76 1HG1 VAL 10 HG21 VAL 10 -1.977 -3.192 -0.882 77 2HG1 VAL 10 HG22 VAL 10 -0.296 -3.665 -1.129 78 3HG1 VAL 10 HG23 VAL 10 -0.871 -3.272 0.493 79 1HG2 VAL 10 HG11 VAL 10 0.067 -5.839 -1.521 80 2HG2 VAL 10 HG12 VAL 10 -1.526 -5.827 -2.280 81 3HG2 VAL 10 HG13 VAL 10 -1.111 -7.090 -1.123 82 H MET 11 HN MET 11 -2.080 -7.930 1.696 83 HA MET 11 HA MET 11 0.038 -9.503 0.493 84 1HB MET 11 HB2 MET 11 0.801 -10.610 2.369 85 2HB MET 11 HB1 MET 11 0.532 -8.994 2.996 86 1HG MET 11 HG1 MET 11 -0.927 -9.702 4.489 87 2HG MET 11 HG2 MET 11 -1.836 -10.608 3.284 88 1HE MET 11 HE1 MET 11 0.149 -13.993 3.188 89 2HE MET 11 HE2 MET 11 0.132 -12.590 2.119 90 3HE MET 11 HE3 MET 11 -1.384 -13.245 2.739 91 HA PRO 12 HA PRO 12 -3.677 -11.749 -0.637 92 1HB PRO 12 HB1 PRO 12 -1.771 -13.493 -2.056 93 2HB PRO 12 HB2 PRO 12 -3.102 -12.526 -2.698 94 1HG PRO 12 HG1 PRO 12 -0.561 -11.823 -3.135 95 2HG PRO 12 HG2 PRO 12 -1.814 -10.601 -2.840 96 1HD PRO 12 HD2 PRO 12 0.204 -11.737 -0.917 97 2HD PRO 12 HD1 PRO 12 -0.237 -10.038 -1.201 98 H GLU 13 HN GLU 13 -4.578 -13.084 0.751 99 HA GLU 13 HA GLU 13 -3.262 -14.698 2.597 100 1HB GLU 13 HB1 GLU 13 -6.057 -14.442 1.627 101 2HB GLU 13 HB2 GLU 13 -5.650 -15.913 2.497 102 1HG GLU 13 HG1 GLU 13 -4.905 -13.270 3.654 103 2HG GLU 13 HG2 GLU 13 -6.571 -13.835 3.766 104 H SER 14 HN SER 14 -4.210 -15.322 -0.687 105 HA SER 14 HA SER 14 -3.926 -18.178 -0.488 106 1HB SER 14 HB2 SER 14 -4.725 -16.241 -2.544 107 2HB SER 14 HB1 SER 14 -3.794 -17.598 -3.177 108 HG SER 14 HG SER 14 -6.333 -17.541 -2.092 109 HA PRO 15 HA PRO 15 0.430 -18.519 -1.082 110 1HB PRO 15 HB2 PRO 15 0.557 -20.812 -2.569 111 2HB PRO 15 HB1 PRO 15 0.269 -20.791 -0.826 112 1HG PRO 15 HG2 PRO 15 -1.693 -21.053 -3.070 113 2HG PRO 15 HG1 PRO 15 -1.630 -21.930 -1.530 114 1HD PRO 15 HD2 PRO 15 -3.333 -19.881 -1.941 115 2HD PRO 15 HD1 PRO 15 -2.596 -20.188 -0.355 116 H ASP 16 HN ASP 16 -1.762 -17.978 -3.572 117 HA ASP 16 HA ASP 16 0.246 -17.880 -5.683 118 1HB ASP 16 HB2 ASP 16 -2.745 -17.653 -5.606 119 2HB ASP 16 HB1 ASP 16 -1.857 -17.041 -6.997 120 H VAL 17 HN VAL 17 0.534 -16.091 -3.470 121 HA VAL 17 HA VAL 17 -0.447 -13.518 -4.118 122 HB VAL 17 HB VAL 17 0.103 -13.352 -1.970 123 1HG1 VAL 17 HG11 VAL 17 2.417 -14.691 -1.318 124 2HG1 VAL 17 HG12 VAL 17 1.642 -15.716 -2.527 125 3HG1 VAL 17 HG13 VAL 17 0.756 -15.243 -1.076 126 1HG2 VAL 17 HG21 VAL 17 2.938 -12.932 -2.878 127 2HG2 VAL 17 HG22 VAL 17 2.135 -12.239 -1.465 128 3HG2 VAL 17 HG23 VAL 17 1.650 -11.744 -3.090 129 H ASP 18 HN ASP 18 -0.040 -13.163 -6.249 130 HA ASP 18 HA ASP 18 2.532 -13.385 -7.474 131 1HB ASP 18 HB1 ASP 18 -0.051 -12.060 -8.280 132 2HB ASP 18 HB2 ASP 18 1.406 -11.937 -9.263 133 H LEU 19 HN LEU 19 4.131 -12.219 -6.679 134 HA LEU 19 HA LEU 19 3.896 -9.759 -5.366 135 1HB LEU 19 HB1 LEU 19 5.880 -11.596 -5.749 136 2HB LEU 19 HB2 LEU 19 6.436 -10.295 -6.783 137 HG LEU 19 HG LEU 19 7.458 -10.137 -4.589 138 1HD1 LEU 19 HD11 LEU 19 5.670 -8.049 -5.633 139 2HD1 LEU 19 HD12 LEU 19 7.393 -7.994 -5.263 140 3HD1 LEU 19 HD13 LEU 19 6.207 -7.826 -3.969 141 1HD2 LEU 19 HD21 LEU 19 5.538 -11.278 -3.417 142 2HD2 LEU 19 HD22 LEU 19 4.717 -9.716 -3.430 143 3HD2 LEU 19 HD23 LEU 19 6.249 -9.901 -2.576 144 H GLU 20 HN GLU 20 5.074 -10.436 -8.666 145 HA GLU 20 HA GLU 20 5.346 -7.703 -9.328 146 1HB GLU 20 HB1 GLU 20 6.637 -9.270 -10.547 147 2HB GLU 20 HB2 GLU 20 5.219 -10.198 -11.012 148 1HG GLU 20 HG2 GLU 20 4.469 -8.341 -12.412 149 2HG GLU 20 HG1 GLU 20 5.896 -7.417 -11.946 150 H ALA 21 HN ALA 21 2.721 -10.012 -9.743 151 HA ALA 21 HA ALA 21 1.151 -8.295 -11.403 152 1HB ALA 21 HB1 ALA 21 -0.129 -10.334 -9.649 153 2HB ALA 21 HB2 ALA 21 0.925 -10.867 -10.959 154 3HB ALA 21 HB3 ALA 21 -0.498 -9.889 -11.316 155 H LEU 22 HN LEU 22 1.554 -8.765 -7.978 156 HA LEU 22 HA LEU 22 -0.642 -7.179 -7.116 157 1HB LEU 22 HB2 LEU 22 0.990 -8.839 -5.811 158 2HB LEU 22 HB1 LEU 22 1.865 -7.357 -5.500 159 HG LEU 22 HG LEU 22 0.301 -6.565 -4.042 160 1HD1 LEU 22 HD21 LEU 22 -1.501 -6.447 -5.716 161 2HD1 LEU 22 HD22 LEU 22 -2.082 -6.966 -4.132 162 3HD1 LEU 22 HD23 LEU 22 -1.861 -8.149 -5.422 163 1HD2 LEU 22 HD11 LEU 22 0.881 -8.453 -2.870 164 2HD2 LEU 22 HD12 LEU 22 0.106 -9.539 -4.024 165 3HD2 LEU 22 HD13 LEU 22 -0.880 -8.587 -2.910 166 H LYS 23 HN LYS 23 2.626 -6.565 -8.098 167 HA LYS 23 HA LYS 23 3.010 -3.957 -7.188 168 1HB LYS 23 HB2 LYS 23 4.172 -5.732 -9.205 169 2HB LYS 23 HB1 LYS 23 4.239 -4.043 -9.679 170 1HG LYS 23 HG2 LYS 23 6.180 -4.095 -8.555 171 2HG LYS 23 HG1 LYS 23 5.139 -3.851 -7.150 172 1HD LYS 23 HD1 LYS 23 5.729 -5.821 -6.306 173 2HD LYS 23 HD2 LYS 23 5.303 -6.644 -7.809 174 1HE LYS 23 HE1 LYS 23 7.819 -5.108 -7.848 175 2HE LYS 23 HE2 LYS 23 7.806 -6.533 -6.811 176 1HZ LYS 23 HZ1 LYS 23 7.030 -6.549 -9.675 177 2HZ LYS 23 HZ2 LYS 23 7.206 -7.895 -8.665 178 3HZ LYS 23 HZ3 LYS 23 8.561 -6.980 -9.102 179 H LYS 24 HN LYS 24 1.568 -5.149 -10.196 180 HA LYS 24 HA LYS 24 1.019 -2.592 -11.286 181 1HB LYS 24 HB1 LYS 24 -0.727 -4.906 -11.973 182 2HB LYS 24 HB2 LYS 24 0.011 -3.707 -13.025 183 1HG LYS 24 HG1 LYS 24 2.223 -4.954 -12.206 184 2HG LYS 24 HG2 LYS 24 1.073 -6.282 -12.041 185 1HD LYS 24 HD1 LYS 24 0.659 -4.900 -14.530 186 2HD LYS 24 HD2 LYS 24 2.343 -5.407 -14.377 187 1HE LYS 24 HE1 LYS 24 1.499 -7.689 -13.768 188 2HE LYS 24 HE2 LYS 24 -0.117 -7.133 -14.199 189 1HZ LYS 24 HZ1 LYS 24 2.117 -6.901 -16.112 190 2HZ LYS 24 HZ2 LYS 24 0.454 -6.938 -16.422 191 3HZ LYS 24 HZ3 LYS 24 1.259 -8.351 -15.957 192 H GLU 25 HN GLU 25 -0.862 -4.867 -9.335 193 HA GLU 25 HA GLU 25 -3.291 -3.400 -9.413 194 1HB GLU 25 HB1 GLU 25 -2.288 -5.350 -7.329 195 2HB GLU 25 HB2 GLU 25 -3.947 -4.792 -7.488 196 1HG GLU 25 HG2 GLU 25 -2.506 -6.224 -9.698 197 2HG GLU 25 HG1 GLU 25 -3.410 -7.070 -8.442 198 H ILE 26 HN ILE 26 -0.408 -3.196 -7.510 199 HA ILE 26 HA ILE 26 -1.368 -1.710 -5.335 200 HB ILE 26 HB ILE 26 1.313 -2.146 -6.564 201 1HG1 ILE 26 HG12 ILE 26 0.729 -2.229 -3.642 202 2HG1 ILE 26 HG11 ILE 26 -0.020 -3.454 -4.661 203 1HG2 ILE 26 HG21 ILE 26 1.936 -0.034 -6.124 204 2HG2 ILE 26 HG22 ILE 26 1.969 -0.574 -4.445 205 3HG2 ILE 26 HG23 ILE 26 0.549 0.264 -5.075 206 1HD1 ILE 26 HD11 ILE 26 1.847 -4.618 -4.482 207 2HD1 ILE 26 HD12 ILE 26 2.674 -3.275 -3.695 208 3HD1 ILE 26 HD13 ILE 26 2.644 -3.381 -5.454 209 H GLN 27 HN GLN 27 -0.003 -0.707 -8.449 210 HA GLN 27 HA GLN 27 -0.062 2.062 -7.955 211 1HB GLN 27 HB1 GLN 27 -0.360 0.794 -10.674 212 2HB GLN 27 HB2 GLN 27 0.368 2.344 -10.275 213 1HG GLN 27 HG1 GLN 27 1.793 0.391 -8.838 214 2HG GLN 27 HG2 GLN 27 1.590 -0.225 -10.478 215 1HE2 GLN 27 HE22 GLN 27 3.776 1.166 -8.712 216 2HE2 GLN 27 HE21 GLN 27 4.511 2.253 -9.835 217 H GLU 28 HN GLU 28 -2.469 -0.160 -9.254 218 HA GLU 28 HA GLU 28 -4.254 1.951 -10.037 219 1HB GLU 28 HB2 GLU 28 -5.777 0.242 -10.680 220 2HB GLU 28 HB1 GLU 28 -4.160 -0.243 -11.164 221 1HG GLU 28 HG2 GLU 28 -4.734 -2.180 -10.264 222 2HG GLU 28 HG1 GLU 28 -4.286 -1.399 -8.754 223 H ARG 29 HN ARG 29 -3.609 0.230 -7.151 224 HA ARG 29 HA ARG 29 -6.212 0.836 -6.009 225 1HB ARG 29 HB2 ARG 29 -5.734 -0.640 -4.338 226 2HB ARG 29 HB1 ARG 29 -4.725 -1.295 -5.615 227 1HG ARG 29 HG1 ARG 29 -2.774 -0.595 -4.615 228 2HG ARG 29 HG2 ARG 29 -3.579 0.679 -3.689 229 1HD ARG 29 HD2 ARG 29 -2.822 -1.373 -2.384 230 2HD ARG 29 HD1 ARG 29 -4.497 -0.871 -2.169 231 HE ARG 29 HE ARG 29 -5.186 -2.800 -3.241 232 1HH1 ARG 29 HH12 ARG 29 -1.722 -2.470 -3.429 233 2HH1 ARG 29 HH11 ARG 29 -1.470 -4.093 -3.978 234 1HH2 ARG 29 HH21 ARG 29 -4.860 -4.937 -3.963 235 2HH2 ARG 29 HH22 ARG 29 -3.252 -5.494 -4.281 236 H ILE 30 HN ILE 30 -3.230 2.372 -6.347 237 HA ILE 30 HA ILE 30 -3.038 3.796 -3.911 238 HB ILE 30 HB ILE 30 -2.161 4.639 -6.678 239 1HG1 ILE 30 HG11 ILE 30 -1.149 2.534 -5.822 240 2HG1 ILE 30 HG12 ILE 30 0.027 3.819 -6.051 241 1HG2 ILE 30 HG21 ILE 30 -1.389 6.558 -5.859 242 2HG2 ILE 30 HG22 ILE 30 -0.646 5.754 -4.475 243 3HG2 ILE 30 HG23 ILE 30 -2.344 6.232 -4.415 244 1HD1 ILE 30 HD11 ILE 30 0.678 3.639 -3.949 245 2HD1 ILE 30 HD12 ILE 30 -0.429 2.279 -3.754 246 3HD1 ILE 30 HD13 ILE 30 -0.968 3.915 -3.376 247 HA PRO 31 HA PRO 31 -6.635 6.396 -4.086 248 1HB PRO 31 HB1 PRO 31 -5.592 8.605 -2.805 249 2HB PRO 31 HB2 PRO 31 -6.285 7.199 -2.003 250 1HG PRO 31 HG1 PRO 31 -3.418 7.845 -2.537 251 2HG PRO 31 HG2 PRO 31 -4.164 7.134 -1.096 252 1HD PRO 31 HD1 PRO 31 -2.846 5.612 -2.854 253 2HD PRO 31 HD2 PRO 31 -4.327 5.024 -2.067 254 H GLU 32 HN GLU 32 -7.388 7.568 -5.663 255 HA GLU 32 HA GLU 32 -5.825 8.635 -7.732 256 1HB GLU 32 HB1 GLU 32 -8.613 8.317 -7.135 257 2HB GLU 32 HB2 GLU 32 -8.333 9.931 -7.773 258 1HG GLU 32 HG2 GLU 32 -6.917 8.548 -9.550 259 2HG GLU 32 HG1 GLU 32 -8.070 7.296 -9.087 260 H GLY 33 HN GLY 33 -6.059 9.849 -4.693 261 1HA GLY 33 HA1 GLY 33 -6.356 12.642 -5.350 262 2HA GLY 33 HA2 GLY 33 -5.971 11.975 -3.771 263 H THR 34 HN THR 34 -3.657 10.741 -3.971 264 HA THR 34 HA THR 34 -1.842 12.756 -5.130 265 HB THR 34 HB THR 34 -0.823 11.147 -2.882 266 HG1 THR 34 HG1 THR 34 -3.078 12.785 -2.647 267 1HG2 THR 34 HG21 THR 34 0.652 12.801 -3.216 268 2HG2 THR 34 HG22 THR 34 -0.447 13.700 -2.168 269 3HG2 THR 34 HG23 THR 34 -0.551 13.883 -3.919 270 H GLU 35 HN GLU 35 0.410 11.000 -4.134 271 HA GLU 35 HA GLU 35 0.239 8.835 -6.113 272 1HB GLU 35 HB2 GLU 35 2.419 9.349 -6.971 273 2HB GLU 35 HB1 GLU 35 1.446 10.811 -7.050 274 1HG GLU 35 HG2 GLU 35 2.527 11.369 -4.771 275 2HG GLU 35 HG1 GLU 35 3.718 10.153 -5.229 276 H LEU 36 HN LEU 36 2.142 7.311 -5.864 277 HA LEU 36 HA LEU 36 2.168 6.394 -3.160 278 1HB LEU 36 HB1 LEU 36 3.768 4.652 -4.142 279 2HB LEU 36 HB2 LEU 36 2.125 4.686 -4.750 280 HG LEU 36 HG LEU 36 3.741 6.387 -6.387 281 1HD1 LEU 36 HD11 LEU 36 5.707 5.363 -6.464 282 2HD1 LEU 36 HD12 LEU 36 4.888 3.939 -7.109 283 3HD1 LEU 36 HD13 LEU 36 5.145 4.098 -5.371 284 1HD2 LEU 36 HD21 LEU 36 2.794 3.733 -7.310 285 2HD2 LEU 36 HD22 LEU 36 2.658 5.317 -8.076 286 3HD2 LEU 36 HD23 LEU 36 1.586 4.886 -6.742 287 H HIS 37 HN HIS 37 4.571 5.390 -2.603 288 HA HIS 37 HA HIS 37 6.471 7.636 -2.661 289 1HB HIS 37 HB1 HIS 37 5.344 7.611 -0.492 290 2HB HIS 37 HB2 HIS 37 5.738 5.916 -0.286 291 HD2 HIS 37 HD2 HIS 37 8.074 5.410 0.945 292 HE1 HIS 37 HE1 HIS 37 9.626 9.344 0.727 293 HE2 HIS 37 HE2 HIS 37 9.996 7.009 1.647 294 H LYS 38 HN LYS 38 6.505 4.482 -1.115 295 HA LYS 38 HA LYS 38 8.280 3.279 -3.008 296 1HB LYS 38 HB2 LYS 38 10.191 4.078 -2.156 297 2HB LYS 38 HB1 LYS 38 9.361 4.797 -0.789 298 1HG LYS 38 HG2 LYS 38 10.860 3.349 0.204 299 2HG LYS 38 HG1 LYS 38 9.360 2.420 0.191 300 1HD LYS 38 HD1 LYS 38 10.102 0.993 -1.456 301 2HD LYS 38 HD2 LYS 38 11.236 2.174 -2.116 302 1HE LYS 38 HE1 LYS 38 12.563 1.906 0.016 303 2HE LYS 38 HE2 LYS 38 11.524 0.532 0.391 304 1HZ LYS 38 HZ1 LYS 38 13.812 0.492 -1.123 305 2HZ LYS 38 HZ2 LYS 38 12.561 0.357 -2.253 306 3HZ LYS 38 HZ3 LYS 38 12.676 -0.753 -0.982 307 H ILE 39 HN ILE 39 7.977 1.133 -2.933 308 HA ILE 39 HA ILE 39 6.301 0.093 -0.805 309 HB ILE 39 HB ILE 39 7.186 -1.454 -3.213 310 1HG1 ILE 39 HG11 ILE 39 5.081 0.697 -2.983 311 2HG1 ILE 39 HG12 ILE 39 6.354 0.542 -4.188 312 1HG2 ILE 39 HG21 ILE 39 4.915 -2.469 -2.866 313 2HG2 ILE 39 HG22 ILE 39 4.808 -1.545 -1.367 314 3HG2 ILE 39 HG23 ILE 39 6.068 -2.762 -1.565 315 1HD1 ILE 39 HD11 ILE 39 4.745 -0.255 -5.500 316 2HD1 ILE 39 HD12 ILE 39 3.671 -0.581 -4.138 317 3HD1 ILE 39 HD13 ILE 39 4.923 -1.745 -4.574 318 H ASP 40 HN ASP 40 6.675 -1.972 0.183 319 HA ASP 40 HA ASP 40 9.527 -2.631 0.493 320 1HB ASP 40 HB2 ASP 40 7.301 -2.651 2.534 321 2HB ASP 40 HB1 ASP 40 8.938 -3.209 2.836 322 H GLU 41 HN GLU 41 10.047 -4.675 -0.012 323 HA GLU 41 HA GLU 41 7.935 -6.625 -0.439 324 1HB GLU 41 HB1 GLU 41 10.920 -6.958 -0.804 325 2HB GLU 41 HB2 GLU 41 9.661 -8.019 -1.420 326 1HG GLU 41 HG1 GLU 41 8.877 -6.290 -2.909 327 2HG GLU 41 HG2 GLU 41 10.042 -5.148 -2.239 328 H GLU 42 HN GLU 42 7.418 -6.605 1.911 329 HA GLU 42 HA GLU 42 9.308 -8.133 3.556 330 1HB GLU 42 HB1 GLU 42 7.397 -6.034 4.089 331 2HB GLU 42 HB2 GLU 42 7.072 -7.433 5.106 332 1HG GLU 42 HG2 GLU 42 9.816 -7.131 5.244 333 2HG GLU 42 HG1 GLU 42 9.197 -5.477 5.259 334 HA PRO 43 HA PRO 43 6.629 -11.641 3.048 335 1HB PRO 43 HB1 PRO 43 8.020 -13.398 4.540 336 2HB PRO 43 HB2 PRO 43 8.582 -12.838 2.962 337 1HG PRO 43 HG2 PRO 43 9.535 -12.129 5.676 338 2HG PRO 43 HG1 PRO 43 10.416 -12.137 4.142 339 1HD PRO 43 HD1 PRO 43 9.315 -9.890 5.474 340 2HD PRO 43 HD2 PRO 43 10.026 -9.927 3.852 341 H ILE 44 HN ILE 44 5.217 -13.001 4.204 342 HA ILE 44 HA ILE 44 4.669 -12.133 6.964 343 HB ILE 44 HB ILE 44 2.451 -12.952 5.139 344 1HG1 ILE 44 HG12 ILE 44 3.791 -11.248 3.915 345 2HG1 ILE 44 HG11 ILE 44 2.177 -10.679 4.325 346 1HG2 ILE 44 HG21 ILE 44 2.771 -11.370 7.647 347 2HG2 ILE 44 HG22 ILE 44 1.636 -12.666 7.268 348 3HG2 ILE 44 HG23 ILE 44 1.389 -11.054 6.599 349 1HD1 ILE 44 HD11 ILE 44 3.209 -8.861 5.100 350 2HD1 ILE 44 HD12 ILE 44 4.786 -9.653 5.099 351 3HD1 ILE 44 HD13 ILE 44 3.694 -9.860 6.470 352 H ALA 45 HN ALA 45 2.948 -14.482 4.975 353 HA ALA 45 HA ALA 45 2.910 -16.421 7.044 354 1HB ALA 45 HB1 ALA 45 2.397 -17.353 4.301 355 2HB ALA 45 HB2 ALA 45 1.406 -16.001 4.848 356 3HB ALA 45 HB3 ALA 45 1.419 -17.510 5.759 357 H PHE 46 HN PHE 46 3.345 -18.720 5.180 358 HA PHE 46 HA PHE 46 6.072 -19.201 5.842 359 1HB PHE 46 HB1 PHE 46 5.764 -21.369 4.892 360 2HB PHE 46 HB2 PHE 46 4.256 -20.953 5.699 361 HD1 PHE 46 HD1 PHE 46 2.306 -20.190 4.325 362 HD2 PHE 46 HD2 PHE 46 5.823 -21.850 2.594 363 HE1 PHE 46 HE1 PHE 46 1.066 -20.641 2.248 364 HE2 PHE 46 HE2 PHE 46 4.589 -22.304 0.514 365 HZ PHE 46 HZ PHE 46 2.208 -21.699 0.339 366 H GLY 47 HN GLY 47 4.374 -18.188 2.954 367 1HA GLY 47 HA1 GLY 47 6.929 -17.471 1.746 368 2HA GLY 47 HA2 GLY 47 5.943 -18.622 0.858 369 H LEU 48 HN LEU 48 3.974 -16.519 2.566 370 HA LEU 48 HA LEU 48 3.318 -15.090 0.116 371 1HB LEU 48 HB2 LEU 48 1.837 -14.734 2.687 372 2HB LEU 48 HB1 LEU 48 1.242 -14.628 1.043 373 HG LEU 48 HG LEU 48 1.816 -17.110 2.649 374 1HD1 LEU 48 HD11 LEU 48 -0.650 -17.125 1.236 375 2HD1 LEU 48 HD12 LEU 48 -0.502 -15.583 2.082 376 3HD1 LEU 48 HD13 LEU 48 -0.375 -17.096 2.979 377 1HD2 LEU 48 HD21 LEU 48 2.739 -17.333 0.345 378 2HD2 LEU 48 HD22 LEU 48 1.119 -17.027 -0.280 379 3HD2 LEU 48 HD23 LEU 48 1.427 -18.453 0.710 380 H VAL 49 HN VAL 49 4.680 -13.431 -0.202 381 HA VAL 49 HA VAL 49 5.462 -11.729 2.012 382 HB VAL 49 HB VAL 49 6.279 -11.738 -0.895 383 1HG1 VAL 49 HG21 VAL 49 7.851 -10.231 1.111 384 2HG1 VAL 49 HG22 VAL 49 6.331 -9.511 0.582 385 3HG1 VAL 49 HG23 VAL 49 7.580 -9.903 -0.601 386 1HG2 VAL 49 HG11 VAL 49 7.169 -13.182 1.436 387 2HG2 VAL 49 HG12 VAL 49 8.474 -12.214 0.753 388 3HG2 VAL 49 HG13 VAL 49 7.625 -13.386 -0.255 389 H ALA 50 HN ALA 50 4.608 -9.821 2.468 390 HA ALA 50 HA ALA 50 2.581 -8.685 0.713 391 1HB ALA 50 HB1 ALA 50 3.393 -7.690 3.434 392 2HB ALA 50 HB2 ALA 50 2.235 -8.999 3.198 393 3HB ALA 50 HB3 ALA 50 1.885 -7.388 2.568 394 H LEU 51 HN LEU 51 2.552 -6.380 0.299 395 HA LEU 51 HA LEU 51 5.265 -5.248 0.097 396 1HB LEU 51 HB1 LEU 51 2.946 -5.203 -1.814 397 2HB LEU 51 HB2 LEU 51 4.166 -3.947 -1.870 398 HG LEU 51 HG LEU 51 5.897 -5.692 -2.230 399 1HD1 LEU 51 HD11 LEU 51 4.735 -7.543 -1.155 400 2HD1 LEU 51 HD12 LEU 51 5.208 -7.954 -2.802 401 3HD1 LEU 51 HD13 LEU 51 3.530 -7.545 -2.443 402 1HD2 LEU 51 HD21 LEU 51 4.660 -4.475 -4.083 403 2HD2 LEU 51 HD22 LEU 51 3.724 -5.957 -4.283 404 3HD2 LEU 51 HD23 LEU 51 5.470 -5.979 -4.521 405 H ASN 52 HN ASN 52 5.548 -3.525 1.327 406 HA ASN 52 HA ASN 52 3.243 -2.102 2.389 407 1HB ASN 52 HB1 ASN 52 6.122 -1.469 3.017 408 2HB ASN 52 HB2 ASN 52 4.698 -1.227 4.022 409 1HD2 ASN 52 HD22 ASN 52 3.628 -3.876 3.444 410 2HD2 ASN 52 HD21 ASN 52 4.589 -4.988 4.350 411 H VAL 53 HN VAL 53 2.511 -0.974 0.651 412 HA VAL 53 HA VAL 53 4.268 0.759 -0.846 413 HB VAL 53 HB VAL 53 1.266 0.664 -1.047 414 1HG1 VAL 53 HG21 VAL 53 2.946 2.354 -2.237 415 2HG1 VAL 53 HG22 VAL 53 1.494 1.747 -3.033 416 3HG1 VAL 53 HG23 VAL 53 3.061 1.014 -3.378 417 1HG2 VAL 53 HG11 VAL 53 3.081 -1.482 -1.513 418 2HG2 VAL 53 HG12 VAL 53 2.418 -0.946 -3.057 419 3HG2 VAL 53 HG13 VAL 53 1.335 -1.434 -1.752 420 H MET 54 HN MET 54 4.938 2.487 0.277 421 HA MET 54 HA MET 54 3.134 3.992 1.967 422 1HB MET 54 HB1 MET 54 5.994 4.560 1.148 423 2HB MET 54 HB2 MET 54 5.096 5.423 2.389 424 1HG MET 54 HG1 MET 54 5.266 3.724 3.895 425 2HG MET 54 HG2 MET 54 5.365 2.481 2.650 426 1HE MET 54 HE1 MET 54 8.725 2.369 4.845 427 2HE MET 54 HE2 MET 54 7.322 1.418 4.357 428 3HE MET 54 HE3 MET 54 7.111 2.839 5.381 429 H VAL 55 HN VAL 55 3.034 6.407 1.692 430 HA VAL 55 HA VAL 55 3.042 7.211 -1.125 431 HB VAL 55 HB VAL 55 0.811 7.992 -1.109 432 1HG1 VAL 55 HG11 VAL 55 -0.490 5.984 -0.689 433 2HG1 VAL 55 HG12 VAL 55 0.818 5.330 0.299 434 3HG1 VAL 55 HG13 VAL 55 1.056 5.574 -1.433 435 1HG2 VAL 55 HG21 VAL 55 0.137 8.955 0.802 436 2HG2 VAL 55 HG22 VAL 55 1.127 7.887 1.799 437 3HG2 VAL 55 HG23 VAL 55 -0.447 7.343 1.217 438 H VAL 56 HN VAL 56 3.609 9.292 -1.481 439 HA VAL 56 HA VAL 56 4.244 10.913 0.883 440 HB VAL 56 HB VAL 56 5.050 12.132 -1.608 441 1HG1 VAL 56 HG11 VAL 56 5.847 12.265 0.915 442 2HG1 VAL 56 HG12 VAL 56 6.934 12.621 -0.428 443 3HG1 VAL 56 HG13 VAL 56 6.989 11.042 0.356 444 1HG2 VAL 56 HG21 VAL 56 6.159 9.376 -1.091 445 2HG2 VAL 56 HG22 VAL 56 6.717 10.517 -2.315 446 3HG2 VAL 56 HG23 VAL 56 5.101 9.820 -2.430 447 H VAL 57 HN VAL 57 2.666 12.237 1.501 448 HA VAL 57 HA VAL 57 1.277 13.791 -0.573 449 HB VAL 57 HB VAL 57 -0.823 13.643 0.562 450 1HG1 VAL 57 HG21 VAL 57 -1.397 11.398 0.131 451 2HG1 VAL 57 HG22 VAL 57 0.228 10.828 0.510 452 3HG1 VAL 57 HG23 VAL 57 -0.058 11.763 -0.958 453 1HG2 VAL 57 HG11 VAL 57 0.136 13.572 2.867 454 2HG2 VAL 57 HG12 VAL 57 0.461 11.856 2.617 455 3HG2 VAL 57 HG13 VAL 57 -1.199 12.453 2.596 456 H GLY 58 HN GLY 58 0.792 15.916 -0.064 457 1HA GLY 58 HA2 GLY 58 1.100 17.014 2.543 458 2HA GLY 58 HA1 GLY 58 2.536 17.309 1.574 459 H ASP 59 HN ASP 59 1.931 18.126 -0.744 460 HA ASP 59 HA ASP 59 0.435 20.558 -0.344 461 1HB ASP 59 HB1 ASP 59 1.701 19.558 -2.901 462 2HB ASP 59 HB2 ASP 59 1.248 21.215 -2.515 463 H ALA 60 HN ALA 60 -0.368 17.465 -1.185 464 HA ALA 60 HA ALA 60 -2.264 17.883 -3.253 465 1HB ALA 60 HB1 ALA 60 -2.478 15.653 -1.275 466 2HB ALA 60 HB2 ALA 60 -1.143 15.700 -2.425 467 3HB ALA 60 HB3 ALA 60 -2.808 15.647 -3.008 468 H GLU 61 HN GLU 61 -4.405 16.340 -1.841 469 HA GLU 61 HA GLU 61 -5.439 18.252 0.089 470 1HB GLU 61 HB1 GLU 61 -7.678 17.945 -1.407 471 2HB GLU 61 HB2 GLU 61 -6.598 19.326 -1.527 472 1HG GLU 61 HG1 GLU 61 -5.413 18.198 -3.373 473 2HG GLU 61 HG2 GLU 61 -6.578 16.878 -3.277 474 H GLY 62 HN GLY 62 -8.091 17.298 0.078 475 1HA GLY 62 HA1 GLY 62 -7.699 14.807 1.493 476 2HA GLY 62 HA2 GLY 62 -9.211 15.691 1.330 477 H GLY 63 HN GLY 63 -7.597 15.252 -1.607 478 1HA GLY 63 HA2 GLY 63 -9.675 13.608 -2.658 479 2HA GLY 63 HA1 GLY 63 -8.204 14.078 -3.494 480 H THR 64 HN THR 64 -7.001 12.813 -0.804 481 HA THR 64 HA THR 64 -6.319 10.334 -2.067 482 HB THR 64 HB THR 64 -4.747 10.071 -0.426 483 HG1 THR 64 HG1 THR 64 -5.250 11.188 1.735 484 1HG2 THR 64 HG21 THR 64 -5.246 12.936 0.251 485 2HG2 THR 64 HG22 THR 64 -4.641 12.462 -1.337 486 3HG2 THR 64 HG23 THR 64 -3.717 12.069 0.113 487 H GLU 65 HN GLU 65 -9.014 11.332 -0.485 488 HA GLU 65 HA GLU 65 -9.721 9.270 1.256 489 1HB GLU 65 HB2 GLU 65 -12.071 9.872 0.637 490 2HB GLU 65 HB1 GLU 65 -11.079 11.242 1.105 491 1HG GLU 65 HG2 GLU 65 -11.566 12.252 -0.794 492 2HG GLU 65 HG1 GLU 65 -10.837 10.923 -1.694 493 H ALA 66 HN ALA 66 -9.437 9.388 -2.150 494 HA ALA 66 HA ALA 66 -11.120 7.350 -2.990 495 1HB ALA 66 HB1 ALA 66 -10.035 8.753 -4.594 496 2HB ALA 66 HB2 ALA 66 -9.549 7.085 -4.903 497 3HB ALA 66 HB3 ALA 66 -8.442 8.190 -4.084 498 H ALA 67 HN ALA 67 -8.019 7.165 -1.381 499 HA ALA 67 HA ALA 67 -7.353 4.511 -1.923 500 1HB ALA 67 HB1 ALA 67 -6.402 6.557 -0.234 501 2HB ALA 67 HB2 ALA 67 -5.615 5.034 -0.647 502 3HB ALA 67 HB3 ALA 67 -6.652 5.132 0.776 503 H GLU 68 HN GLU 68 -9.070 5.796 0.931 504 HA GLU 68 HA GLU 68 -9.730 3.319 2.054 505 1HB GLU 68 HB1 GLU 68 -11.319 5.889 2.234 506 2HB GLU 68 HB2 GLU 68 -11.402 4.532 3.349 507 1HG GLU 68 HG2 GLU 68 -9.162 4.935 4.100 508 2HG GLU 68 HG1 GLU 68 -8.930 6.178 2.872 509 H GLU 69 HN GLU 69 -11.287 5.233 -0.442 510 HA GLU 69 HA GLU 69 -13.743 3.855 -0.557 511 1HB GLU 69 HB1 GLU 69 -12.584 6.000 -1.890 512 2HB GLU 69 HB2 GLU 69 -12.780 4.785 -3.145 513 1HG GLU 69 HG2 GLU 69 -15.189 4.576 -2.218 514 2HG GLU 69 HG1 GLU 69 -14.859 6.152 -1.497 515 H SER 70 HN SER 70 -10.735 3.466 -2.399 516 HA SER 70 HA SER 70 -11.581 1.227 -3.898 517 1HB SER 70 HB2 SER 70 -9.341 1.061 -4.637 518 2HB SER 70 HB1 SER 70 -9.581 2.784 -4.342 519 HG SER 70 HG SER 70 -8.371 0.944 -2.549 520 H LEU 71 HN LEU 71 -10.654 1.614 -0.648 521 HA LEU 71 HA LEU 71 -9.654 -1.024 -0.187 522 1HB LEU 71 HB2 LEU 71 -10.027 1.392 1.307 523 2HB LEU 71 HB1 LEU 71 -10.674 0.045 2.217 524 HG LEU 71 HG LEU 71 -8.374 0.463 2.857 525 1HD1 LEU 71 HD11 LEU 71 -9.282 -1.886 2.700 526 2HD1 LEU 71 HD12 LEU 71 -7.525 -1.732 2.691 527 3HD1 LEU 71 HD13 LEU 71 -8.392 -2.033 1.184 528 1HD2 LEU 71 HD21 LEU 71 -7.680 -0.036 -0.033 529 2HD2 LEU 71 HD22 LEU 71 -6.536 0.231 1.282 530 3HD2 LEU 71 HD23 LEU 71 -7.626 1.525 0.784 531 H SER 72 HN SER 72 -12.779 0.517 -0.154 532 HA SER 72 HA SER 72 -14.213 -1.468 1.261 533 1HB SER 72 HB2 SER 72 -15.916 -0.029 0.977 534 2HB SER 72 HB1 SER 72 -14.794 1.008 0.094 535 HG SER 72 HG SER 72 -16.898 -0.424 -0.829 536 H GLY 73 HN GLY 73 -12.693 -1.560 -1.715 537 1HA GLY 73 HA2 GLY 73 -13.972 -4.098 -2.368 538 2HA GLY 73 HA1 GLY 73 -14.087 -2.831 -3.581 539 H ILE 74 HN ILE 74 -11.344 -3.055 -1.513 540 HA ILE 74 HA ILE 74 -9.530 -3.246 -3.703 541 HB ILE 74 HB ILE 74 -9.269 -2.115 -1.358 542 1HG1 ILE 74 HG11 ILE 74 -6.664 -3.172 -1.784 543 2HG1 ILE 74 HG12 ILE 74 -7.443 -3.016 -3.356 544 1HG2 ILE 74 HG21 ILE 74 -7.678 -4.462 -0.571 545 2HG2 ILE 74 HG22 ILE 74 -9.427 -4.629 -0.425 546 3HG2 ILE 74 HG23 ILE 74 -8.595 -3.320 0.413 547 1HD1 ILE 74 HD11 ILE 74 -6.116 -1.033 -2.081 548 2HD1 ILE 74 HD12 ILE 74 -7.780 -0.700 -1.600 549 3HD1 ILE 74 HD13 ILE 74 -7.357 -0.784 -3.310 550 H GLU 75 HN GLU 75 -7.513 -4.891 -2.908 551 HA GLU 75 HA GLU 75 -8.141 -7.360 -3.900 552 1HB GLU 75 HB2 GLU 75 -5.892 -6.081 -2.657 553 2HB GLU 75 HB1 GLU 75 -6.051 -7.717 -2.020 554 1HG GLU 75 HG2 GLU 75 -4.631 -7.895 -3.873 555 2HG GLU 75 HG1 GLU 75 -6.201 -8.496 -4.407 556 H GLY 76 HN GLY 76 -9.914 -8.388 -3.107 557 1HA GLY 76 HA1 GLY 76 -10.638 -8.593 -0.401 558 2HA GLY 76 HA2 GLY 76 -11.219 -9.631 -1.691 559 H VAL 77 HN VAL 77 -8.528 -10.580 -2.367 560 HA VAL 77 HA VAL 77 -8.342 -12.656 -0.341 561 HB VAL 77 HB VAL 77 -6.518 -12.404 -2.713 562 1HG1 VAL 77 HG21 VAL 77 -6.443 -14.158 -0.718 563 2HG1 VAL 77 HG22 VAL 77 -6.033 -14.604 -2.374 564 3HG1 VAL 77 HG23 VAL 77 -7.634 -14.973 -1.734 565 1HG2 VAL 77 HG11 VAL 77 -8.295 -13.973 -3.798 566 2HG2 VAL 77 HG12 VAL 77 -8.498 -12.222 -3.866 567 3HG2 VAL 77 HG13 VAL 77 -9.400 -13.169 -2.684 568 H SER 78 HN SER 78 -6.464 -10.001 -1.632 569 HA SER 78 HA SER 78 -4.316 -10.481 0.271 570 1HB SER 78 HB2 SER 78 -4.436 -8.206 -1.699 571 2HB SER 78 HB1 SER 78 -3.012 -9.011 -1.041 572 HG SER 78 HG SER 78 -4.741 -10.620 -2.475 573 H ASN 79 HN ASN 79 -5.350 -9.936 2.223 574 HA ASN 79 HA ASN 79 -6.646 -7.367 2.499 575 1HB ASN 79 HB2 ASN 79 -7.044 -9.578 3.907 576 2HB ASN 79 HB1 ASN 79 -5.756 -8.901 4.899 577 1HD2 ASN 79 HD21 ASN 79 -6.268 -6.201 4.885 578 2HD2 ASN 79 HD22 ASN 79 -7.818 -5.900 5.581 579 H ILE 80 HN ILE 80 -5.791 -5.554 3.207 580 HA ILE 80 HA ILE 80 -2.901 -5.530 3.500 581 HB ILE 80 HB ILE 80 -4.762 -3.192 3.179 582 1HG1 ILE 80 HG11 ILE 80 -3.281 -3.956 0.802 583 2HG1 ILE 80 HG12 ILE 80 -4.370 -5.236 1.326 584 1HG2 ILE 80 HG21 ILE 80 -2.192 -2.866 2.012 585 2HG2 ILE 80 HG22 ILE 80 -2.008 -3.418 3.677 586 3HG2 ILE 80 HG23 ILE 80 -2.941 -1.962 3.328 587 1HD1 ILE 80 HD11 ILE 80 -6.223 -3.618 1.317 588 2HD1 ILE 80 HD12 ILE 80 -5.476 -3.820 -0.267 589 3HD1 ILE 80 HD13 ILE 80 -5.115 -2.392 0.702 590 H GLU 81 HN GLU 81 -1.834 -4.420 5.097 591 HA GLU 81 HA GLU 81 -3.256 -4.084 7.615 592 1HB GLU 81 HB2 GLU 81 -0.944 -5.206 7.410 593 2HB GLU 81 HB1 GLU 81 -0.320 -3.589 7.117 594 1HG GLU 81 HG1 GLU 81 -0.008 -4.099 9.419 595 2HG GLU 81 HG2 GLU 81 -1.283 -2.887 9.297 596 H VAL 82 HN VAL 82 -4.479 -2.428 6.452 597 HA VAL 82 HA VAL 82 -3.158 -0.020 5.633 598 HB VAL 82 HB VAL 82 -6.107 -0.637 5.944 599 1HG1 VAL 82 HG21 VAL 82 -6.354 1.570 5.607 600 2HG1 VAL 82 HG22 VAL 82 -5.778 1.276 3.965 601 3HG1 VAL 82 HG23 VAL 82 -4.645 1.778 5.220 602 1HG2 VAL 82 HG11 VAL 82 -5.813 -0.691 3.342 603 2HG2 VAL 82 HG12 VAL 82 -5.474 -2.119 4.325 604 3HG2 VAL 82 HG13 VAL 82 -4.146 -1.103 3.754 605 H THR 83 HN THR 83 -2.268 -0.134 8.012 606 HA THR 83 HA THR 83 -3.855 1.788 9.557 607 HB THR 83 HB THR 83 -2.269 -0.341 10.960 608 HG1 THR 83 HG1 THR 83 -5.016 -0.670 10.636 609 1HG2 THR 83 HG21 THR 83 -3.217 1.699 12.146 610 2HG2 THR 83 HG22 THR 83 -3.577 0.113 12.827 611 3HG2 THR 83 HG23 THR 83 -4.798 0.963 11.879 612 H ASP 84 HN ASP 84 -0.998 1.226 7.971 613 HA ASP 84 HA ASP 84 0.726 2.450 9.966 614 1HB ASP 84 HB2 ASP 84 1.307 1.604 7.125 615 2HB ASP 84 HB1 ASP 84 2.504 2.155 8.294 616 H VAL 85 HN VAL 85 1.276 4.523 10.063 617 HA VAL 85 HA VAL 85 0.942 6.272 7.767 618 HB VAL 85 HB VAL 85 -1.244 6.144 9.143 619 1HG1 VAL 85 HG11 VAL 85 -1.324 6.915 11.238 620 2HG1 VAL 85 HG12 VAL 85 -0.306 8.305 10.858 621 3HG1 VAL 85 HG13 VAL 85 0.431 6.747 11.231 622 1HG2 VAL 85 HG21 VAL 85 -1.798 8.338 8.525 623 2HG2 VAL 85 HG22 VAL 85 -0.539 7.850 7.390 624 3HG2 VAL 85 HG23 VAL 85 -0.142 8.907 8.744 625 H ARG 86 HN ARG 86 1.914 8.393 8.092 626 HA ARG 86 HA ARG 86 3.604 8.717 10.441 627 1HB ARG 86 HB1 ARG 86 4.660 8.353 7.645 628 2HB ARG 86 HB2 ARG 86 5.576 9.214 8.873 629 1HG ARG 86 HG2 ARG 86 4.844 6.881 10.141 630 2HG ARG 86 HG1 ARG 86 5.188 6.372 8.488 631 1HD ARG 86 HD2 ARG 86 7.373 7.467 8.605 632 2HD ARG 86 HD1 ARG 86 7.027 7.979 10.256 633 HE ARG 86 HE ARG 86 6.812 5.423 10.623 634 1HH1 ARG 86 HH11 ARG 86 9.080 7.023 8.515 635 2HH1 ARG 86 HH12 ARG 86 10.285 5.787 8.660 636 1HH2 ARG 86 HH21 ARG 86 8.394 3.791 10.818 637 2HH2 ARG 86 HH22 ARG 86 9.895 3.951 9.968 638 H ARG 87 HN ARG 87 2.136 10.468 10.754 639 HA ARG 87 HA ARG 87 2.024 12.619 8.865 640 1HB ARG 87 HB2 ARG 87 1.054 12.337 11.705 641 2HB ARG 87 HB1 ARG 87 0.850 13.812 10.769 642 1HG ARG 87 HG2 ARG 87 -1.149 12.812 10.355 643 2HG ARG 87 HG1 ARG 87 -0.201 12.148 9.022 644 1HD ARG 87 HD1 ARG 87 -0.369 10.073 9.796 645 2HD ARG 87 HD2 ARG 87 0.049 10.569 11.434 646 HE ARG 87 HE ARG 87 -2.576 10.103 10.388 647 1HH1 ARG 87 HH22 ARG 87 -0.749 11.886 12.761 648 2HH1 ARG 87 HH21 ARG 87 -2.092 12.082 13.836 649 1HH2 ARG 87 HH12 ARG 87 -4.349 10.356 11.796 650 2HH2 ARG 87 HH11 ARG 87 -4.140 11.211 13.288 651 H LEU 88 HN LEU 88 4.286 13.077 8.615 652 HA LEU 88 HA LEU 88 5.782 14.072 10.876 653 1HB LEU 88 HB1 LEU 88 6.335 13.826 7.938 654 2HB LEU 88 HB2 LEU 88 7.375 14.795 8.956 655 HG LEU 88 HG LEU 88 7.903 12.822 10.307 656 1HD1 LEU 88 HD21 LEU 88 7.198 10.596 9.513 657 2HD1 LEU 88 HD22 LEU 88 6.137 11.373 8.334 658 3HD1 LEU 88 HD23 LEU 88 5.841 11.581 10.062 659 1HD2 LEU 88 HD11 LEU 88 8.608 13.327 7.603 660 2HD2 LEU 88 HD12 LEU 88 8.583 11.580 7.857 661 3HD2 LEU 88 HD13 LEU 88 9.588 12.606 8.883 662 H MET 89 HN MET 89 4.407 15.792 11.558 663 HA MET 89 HA MET 89 4.085 18.041 9.723 664 1HB MET 89 HB1 MET 89 2.784 19.003 11.714 665 2HB MET 89 HB2 MET 89 2.086 17.622 10.878 666 1HG MET 89 HG1 MET 89 2.097 16.398 12.721 667 2HG MET 89 HG2 MET 89 3.792 16.765 13.034 668 1HE MET 89 HE1 MET 89 4.490 19.127 13.681 669 2HE MET 89 HE2 MET 89 4.438 18.451 15.309 670 3HE MET 89 HE3 MET 89 3.712 20.026 14.985 Start of MODEL 12 1 1H MET 1 HT1 MET 1 10.582 18.613 9.335 2 2H MET 1 HT2 MET 1 10.389 19.899 8.217 3 3H MET 1 HT3 MET 1 11.531 18.657 7.908 4 HA MET 1 HA MET 1 9.738 18.195 6.553 5 1HB MET 1 HB1 MET 1 10.487 16.556 8.766 6 2HB MET 1 HB2 MET 1 8.770 16.319 8.468 7 1HG MET 1 HG1 MET 1 9.182 15.073 6.691 8 2HG MET 1 HG2 MET 1 10.220 16.315 5.991 9 1HE MET 1 HE1 MET 1 13.241 14.352 5.627 10 2HE MET 1 HE2 MET 1 12.074 15.542 5.051 11 3HE MET 1 HE3 MET 1 11.686 13.823 4.982 12 H GLY 2 HN GLY 2 7.425 17.642 6.367 13 1HA GLY 2 HA1 GLY 2 5.531 18.413 8.331 14 2HA GLY 2 HA2 GLY 2 5.762 19.722 7.180 15 H ASP 3 HN ASP 3 6.337 16.689 5.851 16 HA ASP 3 HA ASP 3 3.892 16.875 4.270 17 1HB ASP 3 HB1 ASP 3 6.435 15.282 3.971 18 2HB ASP 3 HB2 ASP 3 5.022 14.985 2.964 19 H VAL 4 HN VAL 4 2.693 14.879 3.762 20 HA VAL 4 HA VAL 4 2.504 13.156 6.140 21 HB VAL 4 HB VAL 4 0.243 13.035 4.290 22 1HG1 VAL 4 HG21 VAL 4 -0.395 12.066 6.211 23 2HG1 VAL 4 HG22 VAL 4 -0.666 13.711 6.790 24 3HG1 VAL 4 HG23 VAL 4 0.857 12.889 7.145 25 1HG2 VAL 4 HG11 VAL 4 -0.704 15.160 4.734 26 2HG2 VAL 4 HG12 VAL 4 0.939 15.464 4.169 27 3HG2 VAL 4 HG13 VAL 4 0.564 15.566 5.889 28 H VAL 5 HN VAL 5 2.961 11.046 5.926 29 HA VAL 5 HA VAL 5 2.903 9.873 3.220 30 HB VAL 5 HB VAL 5 5.035 9.447 5.320 31 1HG1 VAL 5 HG11 VAL 5 5.151 7.379 4.461 32 2HG1 VAL 5 HG12 VAL 5 5.916 8.168 3.081 33 3HG1 VAL 5 HG13 VAL 5 4.190 7.807 3.045 34 1HG2 VAL 5 HG21 VAL 5 6.065 11.128 4.293 35 2HG2 VAL 5 HG22 VAL 5 4.801 11.222 3.068 36 3HG2 VAL 5 HG23 VAL 5 6.159 10.119 2.850 37 H ALA 6 HN ALA 6 1.407 8.308 3.179 38 HA ALA 6 HA ALA 6 0.742 6.873 5.646 39 1HB ALA 6 HB1 ALA 6 -1.176 5.994 4.296 40 2HB ALA 6 HB2 ALA 6 -0.646 7.037 2.976 41 3HB ALA 6 HB3 ALA 6 -1.164 7.744 4.507 42 H THR 7 HN THR 7 0.290 4.467 5.405 43 HA THR 7 HA THR 7 1.972 3.192 3.387 44 HB THR 7 HB THR 7 2.270 2.472 6.296 45 HG1 THR 7 HG1 THR 7 3.231 4.601 5.078 46 1HG2 THR 7 HG21 THR 7 2.917 0.656 4.909 47 2HG2 THR 7 HG22 THR 7 4.388 1.444 5.481 48 3HG2 THR 7 HG23 THR 7 3.820 1.725 3.832 49 H ILE 8 HN ILE 8 1.054 1.540 2.513 50 HA ILE 8 HA ILE 8 -1.145 0.140 3.898 51 HB ILE 8 HB ILE 8 -0.818 0.456 0.913 52 1HG1 ILE 8 HG12 ILE 8 -1.060 2.665 2.143 53 2HG1 ILE 8 HG11 ILE 8 -2.293 2.323 0.936 54 1HG2 ILE 8 HG21 ILE 8 -2.948 -0.581 2.715 55 2HG2 ILE 8 HG22 ILE 8 -2.242 -1.304 1.268 56 3HG2 ILE 8 HG23 ILE 8 -3.357 0.056 1.119 57 1HD1 ILE 8 HD11 ILE 8 -3.329 1.309 3.306 58 2HD1 ILE 8 HD12 ILE 8 -3.798 2.798 2.483 59 3HD1 ILE 8 HD13 ILE 8 -2.571 2.838 3.751 60 H LYS 9 HN LYS 9 -0.392 -1.846 4.529 61 HA LYS 9 HA LYS 9 1.591 -3.208 2.849 62 1HB LYS 9 HB1 LYS 9 0.826 -4.508 5.353 63 2HB LYS 9 HB2 LYS 9 2.417 -4.129 4.714 64 1HG LYS 9 HG2 LYS 9 1.051 -1.724 5.510 65 2HG LYS 9 HG1 LYS 9 1.090 -2.884 6.833 66 1HD LYS 9 HD2 LYS 9 3.567 -2.359 5.274 67 2HD LYS 9 HD1 LYS 9 3.039 -1.205 6.498 68 1HE LYS 9 HE1 LYS 9 3.569 -2.568 8.203 69 2HE LYS 9 HE2 LYS 9 2.997 -4.006 7.358 70 1HZ LYS 9 HZ1 LYS 9 5.505 -2.690 6.542 71 2HZ LYS 9 HZ2 LYS 9 5.020 -4.293 6.307 72 3HZ LYS 9 HZ3 LYS 9 5.490 -3.769 7.844 73 H VAL 10 HN VAL 10 0.447 -4.146 1.219 74 HA VAL 10 HA VAL 10 -1.913 -5.723 1.818 75 HB VAL 10 HB VAL 10 -2.554 -5.411 -0.312 76 1HG1 VAL 10 HG21 VAL 10 -2.273 -3.229 -0.572 77 2HG1 VAL 10 HG22 VAL 10 -0.637 -3.487 -1.179 78 3HG1 VAL 10 HG23 VAL 10 -0.915 -3.281 0.551 79 1HG2 VAL 10 HG11 VAL 10 -1.232 -5.703 -2.281 80 2HG2 VAL 10 HG12 VAL 10 -0.824 -6.997 -1.155 81 3HG2 VAL 10 HG13 VAL 10 0.266 -5.624 -1.352 82 H MET 11 HN MET 11 -2.149 -7.910 1.616 83 HA MET 11 HA MET 11 0.058 -9.496 0.578 84 1HB MET 11 HB2 MET 11 0.876 -10.100 2.558 85 2HB MET 11 HB1 MET 11 -0.314 -9.093 3.368 86 1HG MET 11 HG1 MET 11 -1.140 -10.926 4.275 87 2HG MET 11 HG2 MET 11 -1.691 -11.415 2.676 88 1HE MET 11 HE1 MET 11 -0.445 -14.517 4.437 89 2HE MET 11 HE2 MET 11 -0.996 -14.480 2.761 90 3HE MET 11 HE3 MET 11 -1.796 -13.480 3.974 91 HA PRO 12 HA PRO 12 -3.549 -11.644 -0.977 92 1HB PRO 12 HB1 PRO 12 -1.617 -13.461 -2.223 93 2HB PRO 12 HB2 PRO 12 -2.753 -12.343 -2.985 94 1HG PRO 12 HG1 PRO 12 -0.090 -11.936 -3.015 95 2HG PRO 12 HG2 PRO 12 -1.255 -10.600 -2.960 96 1HD PRO 12 HD2 PRO 12 0.337 -11.818 -0.726 97 2HD PRO 12 HD1 PRO 12 0.033 -10.104 -1.084 98 H GLU 13 HN GLU 13 -4.670 -13.011 0.233 99 HA GLU 13 HA GLU 13 -3.624 -14.725 2.165 100 1HB GLU 13 HB1 GLU 13 -6.262 -14.275 0.921 101 2HB GLU 13 HB2 GLU 13 -6.034 -15.864 1.638 102 1HG GLU 13 HG1 GLU 13 -5.379 -13.379 3.167 103 2HG GLU 13 HG2 GLU 13 -7.032 -13.986 3.075 104 H SER 14 HN SER 14 -4.248 -15.232 -1.228 105 HA SER 14 HA SER 14 -4.011 -18.092 -1.095 106 1HB SER 14 HB2 SER 14 -4.733 -16.129 -3.078 107 2HB SER 14 HB1 SER 14 -3.533 -17.237 -3.744 108 HG SER 14 HG SER 14 -6.099 -17.794 -2.732 109 HA PRO 15 HA PRO 15 0.376 -18.496 -1.280 110 1HB PRO 15 HB2 PRO 15 0.639 -20.746 -2.794 111 2HB PRO 15 HB1 PRO 15 0.121 -20.770 -1.105 112 1HG PRO 15 HG2 PRO 15 -1.535 -20.907 -3.597 113 2HG PRO 15 HG1 PRO 15 -1.684 -21.848 -2.101 114 1HD PRO 15 HD2 PRO 15 -3.283 -19.741 -2.639 115 2HD PRO 15 HD1 PRO 15 -2.768 -20.139 -0.986 116 H ASP 16 HN ASP 16 -1.497 -17.700 -3.907 117 HA ASP 16 HA ASP 16 0.686 -17.654 -5.841 118 1HB ASP 16 HB2 ASP 16 -2.244 -17.585 -5.980 119 2HB ASP 16 HB1 ASP 16 -1.463 -16.431 -7.057 120 H VAL 17 HN VAL 17 1.100 -16.071 -3.625 121 HA VAL 17 HA VAL 17 0.263 -13.395 -3.882 122 HB VAL 17 HB VAL 17 2.754 -14.501 -2.570 123 1HG1 VAL 17 HG21 VAL 17 3.357 -12.327 -2.530 124 2HG1 VAL 17 HG22 VAL 17 2.196 -12.235 -1.205 125 3HG1 VAL 17 HG23 VAL 17 1.717 -11.753 -2.834 126 1HG2 VAL 17 HG11 VAL 17 0.253 -15.089 -1.869 127 2HG2 VAL 17 HG12 VAL 17 0.418 -13.553 -1.018 128 3HG2 VAL 17 HG13 VAL 17 1.543 -14.870 -0.687 129 H ASP 18 HN ASP 18 0.546 -13.089 -6.221 130 HA ASP 18 HA ASP 18 3.141 -13.047 -7.413 131 1HB ASP 18 HB1 ASP 18 0.478 -11.894 -8.242 132 2HB ASP 18 HB2 ASP 18 1.939 -11.694 -9.205 133 H LEU 19 HN LEU 19 4.602 -11.750 -6.447 134 HA LEU 19 HA LEU 19 4.019 -9.301 -5.192 135 1HB LEU 19 HB1 LEU 19 6.084 -10.826 -4.944 136 2HB LEU 19 HB2 LEU 19 6.708 -9.981 -6.349 137 HG LEU 19 HG LEU 19 5.757 -8.258 -4.146 138 1HD1 LEU 19 HD21 LEU 19 7.880 -10.294 -3.794 139 2HD1 LEU 19 HD22 LEU 19 6.793 -9.568 -2.609 140 3HD1 LEU 19 HD23 LEU 19 8.198 -8.669 -3.184 141 1HD2 LEU 19 HD11 LEU 19 8.427 -8.120 -5.458 142 2HD2 LEU 19 HD12 LEU 19 7.367 -6.819 -4.914 143 3HD2 LEU 19 HD13 LEU 19 6.990 -7.706 -6.392 144 H GLU 20 HN GLU 20 5.477 -9.976 -8.372 145 HA GLU 20 HA GLU 20 5.710 -7.266 -9.107 146 1HB GLU 20 HB1 GLU 20 7.043 -8.952 -10.214 147 2HB GLU 20 HB2 GLU 20 5.600 -9.775 -10.788 148 1HG GLU 20 HG1 GLU 20 6.610 -8.544 -12.588 149 2HG GLU 20 HG2 GLU 20 5.056 -7.823 -12.173 150 H ALA 21 HN ALA 21 3.156 -9.646 -9.600 151 HA ALA 21 HA ALA 21 1.613 -7.941 -11.290 152 1HB ALA 21 HB1 ALA 21 1.454 -10.601 -10.509 153 2HB ALA 21 HB2 ALA 21 0.320 -9.738 -11.547 154 3HB ALA 21 HB3 ALA 21 0.019 -9.848 -9.813 155 H LEU 22 HN LEU 22 1.829 -8.518 -7.860 156 HA LEU 22 HA LEU 22 -0.455 -7.006 -7.117 157 1HB LEU 22 HB2 LEU 22 1.106 -8.669 -5.748 158 2HB LEU 22 HB1 LEU 22 1.931 -7.182 -5.332 159 HG LEU 22 HG LEU 22 0.302 -6.513 -3.917 160 1HD1 LEU 22 HD21 LEU 22 -1.850 -7.923 -5.479 161 2HD1 LEU 22 HD22 LEU 22 -1.334 -6.269 -5.817 162 3HD1 LEU 22 HD23 LEU 22 -2.044 -6.673 -4.251 163 1HD2 LEU 22 HD11 LEU 22 0.559 -8.400 -2.737 164 2HD2 LEU 22 HD12 LEU 22 0.227 -9.440 -4.121 165 3HD2 LEU 22 HD13 LEU 22 -1.106 -8.697 -3.238 166 H LYS 23 HN LYS 23 2.875 -6.293 -7.801 167 HA LYS 23 HA LYS 23 3.061 -3.709 -6.754 168 1HB LYS 23 HB2 LYS 23 4.582 -5.429 -8.494 169 2HB LYS 23 HB1 LYS 23 4.593 -3.785 -9.115 170 1HG LYS 23 HG1 LYS 23 5.083 -3.354 -6.481 171 2HG LYS 23 HG2 LYS 23 5.860 -4.918 -6.725 172 1HD LYS 23 HD2 LYS 23 6.426 -3.067 -8.881 173 2HD LYS 23 HD1 LYS 23 6.932 -2.435 -7.313 174 1HE LYS 23 HE1 LYS 23 8.569 -3.963 -7.080 175 2HE LYS 23 HE2 LYS 23 7.599 -5.258 -7.784 176 1HZ LYS 23 HZ1 LYS 23 8.053 -4.317 -9.983 177 2HZ LYS 23 HZ2 LYS 23 9.478 -4.762 -9.186 178 3HZ LYS 23 HZ3 LYS 23 9.035 -3.131 -9.281 179 H LYS 24 HN LYS 24 2.057 -4.820 -9.971 180 HA LYS 24 HA LYS 24 1.600 -2.187 -10.978 181 1HB LYS 24 HB2 LYS 24 0.642 -3.277 -12.889 182 2HB LYS 24 HB1 LYS 24 2.062 -4.172 -12.382 183 1HG LYS 24 HG1 LYS 24 0.856 -5.958 -11.581 184 2HG LYS 24 HG2 LYS 24 -0.638 -5.017 -11.466 185 1HD LYS 24 HD2 LYS 24 -1.207 -5.915 -13.429 186 2HD LYS 24 HD1 LYS 24 0.025 -4.876 -14.150 187 1HE LYS 24 HE2 LYS 24 1.222 -7.238 -13.020 188 2HE LYS 24 HE1 LYS 24 -0.058 -7.673 -14.151 189 1HZ LYS 24 HZ1 LYS 24 2.184 -5.826 -14.762 190 2HZ LYS 24 HZ2 LYS 24 0.993 -6.345 -15.843 191 3HZ LYS 24 HZ3 LYS 24 2.115 -7.451 -15.228 192 H GLU 25 HN GLU 25 -0.318 -4.645 -9.408 193 HA GLU 25 HA GLU 25 -2.857 -3.409 -9.786 194 1HB GLU 25 HB1 GLU 25 -1.832 -5.438 -7.804 195 2HB GLU 25 HB2 GLU 25 -3.491 -4.854 -7.771 196 1HG GLU 25 HG2 GLU 25 -3.390 -5.551 -10.324 197 2HG GLU 25 HG1 GLU 25 -2.140 -6.634 -9.715 198 H ILE 26 HN ILE 26 -0.259 -3.027 -7.537 199 HA ILE 26 HA ILE 26 -1.587 -1.625 -5.482 200 HB ILE 26 HB ILE 26 1.244 -1.993 -6.322 201 1HG1 ILE 26 HG11 ILE 26 0.373 -2.035 -3.491 202 2HG1 ILE 26 HG12 ILE 26 -0.369 -3.237 -4.544 203 1HG2 ILE 26 HG21 ILE 26 1.962 -0.405 -4.506 204 2HG2 ILE 26 HG22 ILE 26 0.320 0.240 -4.528 205 3HG2 ILE 26 HG23 ILE 26 1.330 0.349 -5.970 206 1HD1 ILE 26 HD11 ILE 26 1.447 -4.491 -4.483 207 2HD1 ILE 26 HD12 ILE 26 2.103 -3.387 -3.274 208 3HD1 ILE 26 HD13 ILE 26 2.463 -3.140 -4.984 209 H GLN 27 HN GLN 27 0.062 -0.599 -8.429 210 HA GLN 27 HA GLN 27 -0.034 2.167 -8.059 211 1HB GLN 27 HB1 GLN 27 0.148 0.333 -10.404 212 2HB GLN 27 HB2 GLN 27 -0.267 2.011 -10.723 213 1HG GLN 27 HG2 GLN 27 2.094 1.713 -10.959 214 2HG GLN 27 HG1 GLN 27 1.771 2.711 -9.540 215 1HE2 GLN 27 HE22 GLN 27 1.863 1.659 -7.448 216 2HE2 GLN 27 HE21 GLN 27 2.952 0.338 -7.216 217 H GLU 28 HN GLU 28 -2.396 -0.097 -9.351 218 HA GLU 28 HA GLU 28 -4.267 1.905 -10.161 219 1HB GLU 28 HB1 GLU 28 -4.947 -0.974 -9.616 220 2HB GLU 28 HB2 GLU 28 -5.681 0.122 -10.778 221 1HG GLU 28 HG1 GLU 28 -2.837 -0.827 -10.972 222 2HG GLU 28 HG2 GLU 28 -4.193 -1.656 -11.736 223 H ARG 29 HN ARG 29 -3.620 0.244 -7.189 224 HA ARG 29 HA ARG 29 -6.228 0.860 -6.090 225 1HB ARG 29 HB2 ARG 29 -5.708 -0.535 -4.336 226 2HB ARG 29 HB1 ARG 29 -4.758 -1.241 -5.632 227 1HG ARG 29 HG1 ARG 29 -2.748 -0.368 -4.779 228 2HG ARG 29 HG2 ARG 29 -3.597 0.737 -3.690 229 1HD ARG 29 HD2 ARG 29 -2.961 -0.966 -2.248 230 2HD ARG 29 HD1 ARG 29 -4.587 -1.452 -2.690 231 HE ARG 29 HE ARG 29 -2.292 -2.554 -4.142 232 1HH1 ARG 29 HH12 ARG 29 -5.022 -2.991 -2.024 233 2HH1 ARG 29 HH11 ARG 29 -4.998 -4.718 -2.139 234 1HH2 ARG 29 HH21 ARG 29 -2.253 -4.826 -4.299 235 2HH2 ARG 29 HH22 ARG 29 -3.425 -5.761 -3.431 236 H ILE 30 HN ILE 30 -3.266 2.463 -6.380 237 HA ILE 30 HA ILE 30 -3.066 3.857 -3.965 238 HB ILE 30 HB ILE 30 -2.377 4.833 -6.741 239 1HG1 ILE 30 HG12 ILE 30 -1.078 2.899 -6.306 240 2HG1 ILE 30 HG11 ILE 30 -0.025 4.264 -5.962 241 1HG2 ILE 30 HG21 ILE 30 -2.538 6.349 -4.441 242 2HG2 ILE 30 HG22 ILE 30 -1.633 6.753 -5.899 243 3HG2 ILE 30 HG23 ILE 30 -0.825 5.943 -4.557 244 1HD1 ILE 30 HD11 ILE 30 0.374 2.782 -4.224 245 2HD1 ILE 30 HD12 ILE 30 -1.335 2.382 -4.044 246 3HD1 ILE 30 HD13 ILE 30 -0.738 3.959 -3.527 247 HA PRO 31 HA PRO 31 -6.756 6.341 -3.809 248 1HB PRO 31 HB1 PRO 31 -5.621 8.530 -2.537 249 2HB PRO 31 HB2 PRO 31 -6.319 7.124 -1.741 250 1HG PRO 31 HG2 PRO 31 -3.458 7.739 -2.326 251 2HG PRO 31 HG1 PRO 31 -4.173 6.940 -0.914 252 1HD PRO 31 HD1 PRO 31 -2.912 5.535 -2.813 253 2HD PRO 31 HD2 PRO 31 -4.361 4.899 -2.004 254 H GLU 32 HN GLU 32 -7.610 7.475 -5.397 255 HA GLU 32 HA GLU 32 -6.184 8.615 -7.494 256 1HB GLU 32 HB1 GLU 32 -8.975 8.439 -6.659 257 2HB GLU 32 HB2 GLU 32 -8.623 9.911 -7.553 258 1HG GLU 32 HG2 GLU 32 -7.460 8.294 -9.225 259 2HG GLU 32 HG1 GLU 32 -8.460 7.071 -8.443 260 H GLY 33 HN GLY 33 -6.324 9.837 -4.425 261 1HA GLY 33 HA1 GLY 33 -6.604 12.628 -5.096 262 2HA GLY 33 HA2 GLY 33 -6.173 11.971 -3.525 263 H THR 34 HN THR 34 -3.907 10.528 -4.120 264 HA THR 34 HA THR 34 -2.087 12.515 -5.292 265 HB THR 34 HB THR 34 -1.008 10.965 -3.031 266 HG1 THR 34 HG1 THR 34 -2.556 11.476 -1.725 267 1HG2 THR 34 HG21 THR 34 -0.792 13.732 -4.084 268 2HG2 THR 34 HG22 THR 34 0.472 12.573 -3.672 269 3HG2 THR 34 HG23 THR 34 -0.396 13.424 -2.393 270 H GLU 35 HN GLU 35 0.122 10.659 -4.293 271 HA GLU 35 HA GLU 35 -0.248 8.397 -6.123 272 1HB GLU 35 HB2 GLU 35 1.844 8.800 -7.230 273 2HB GLU 35 HB1 GLU 35 0.892 10.276 -7.325 274 1HG GLU 35 HG2 GLU 35 2.185 11.295 -5.586 275 2HG GLU 35 HG1 GLU 35 3.056 9.790 -5.295 276 H LEU 36 HN LEU 36 1.720 6.912 -5.957 277 HA LEU 36 HA LEU 36 1.959 6.157 -3.219 278 1HB LEU 36 HB1 LEU 36 3.009 4.205 -3.979 279 2HB LEU 36 HB2 LEU 36 1.835 4.603 -5.213 280 HG LEU 36 HG LEU 36 4.811 5.100 -5.382 281 1HD1 LEU 36 HD21 LEU 36 3.038 3.123 -6.814 282 2HD1 LEU 36 HD22 LEU 36 4.217 2.742 -5.556 283 3HD1 LEU 36 HD23 LEU 36 4.759 3.374 -7.111 284 1HD2 LEU 36 HD11 LEU 36 2.567 5.699 -7.295 285 2HD2 LEU 36 HD12 LEU 36 4.259 5.604 -7.785 286 3HD2 LEU 36 HD13 LEU 36 3.746 6.821 -6.616 287 H HIS 37 HN HIS 37 4.382 5.254 -2.720 288 HA HIS 37 HA HIS 37 6.224 7.524 -3.034 289 1HB HIS 37 HB1 HIS 37 5.098 7.635 -0.823 290 2HB HIS 37 HB2 HIS 37 5.704 6.029 -0.458 291 HD2 HIS 37 HD2 HIS 37 8.084 5.966 0.751 292 HE1 HIS 37 HE1 HIS 37 9.234 9.944 -0.130 293 HE2 HIS 37 HE2 HIS 37 9.863 7.823 1.113 294 H LYS 38 HN LYS 38 6.295 4.493 -1.244 295 HA LYS 38 HA LYS 38 8.145 3.222 -3.031 296 1HB LYS 38 HB2 LYS 38 10.049 3.894 -2.083 297 2HB LYS 38 HB1 LYS 38 9.143 4.940 -1.010 298 1HG LYS 38 HG2 LYS 38 10.333 3.717 0.497 299 2HG LYS 38 HG1 LYS 38 8.858 2.753 0.396 300 1HD LYS 38 HD1 LYS 38 9.888 1.045 -0.700 301 2HD LYS 38 HD2 LYS 38 11.030 2.114 -1.518 302 1HE LYS 38 HE1 LYS 38 12.394 2.283 0.408 303 2HE LYS 38 HE2 LYS 38 11.160 1.553 1.434 304 1HZ LYS 38 HZ1 LYS 38 11.446 -0.510 0.094 305 2HZ LYS 38 HZ2 LYS 38 12.803 -0.081 1.008 306 3HZ LYS 38 HZ3 LYS 38 12.778 0.212 -0.658 307 H ILE 39 HN ILE 39 7.864 1.084 -2.895 308 HA ILE 39 HA ILE 39 6.154 0.084 -0.762 309 HB ILE 39 HB ILE 39 7.033 -1.489 -3.158 310 1HG1 ILE 39 HG11 ILE 39 4.927 0.657 -2.929 311 2HG1 ILE 39 HG12 ILE 39 6.169 0.471 -4.160 312 1HG2 ILE 39 HG21 ILE 39 5.943 -2.780 -1.467 313 2HG2 ILE 39 HG22 ILE 39 4.794 -2.541 -2.782 314 3HG2 ILE 39 HG23 ILE 39 4.657 -1.583 -1.307 315 1HD1 ILE 39 HD11 ILE 39 4.491 -0.310 -5.404 316 2HD1 ILE 39 HD12 ILE 39 3.488 -0.676 -3.999 317 3HD1 ILE 39 HD13 ILE 39 4.745 -1.806 -4.506 318 H ASP 40 HN ASP 40 6.554 -2.027 0.198 319 HA ASP 40 HA ASP 40 9.424 -2.646 0.481 320 1HB ASP 40 HB1 ASP 40 7.825 -1.515 2.418 321 2HB ASP 40 HB2 ASP 40 7.736 -3.230 2.805 322 H GLU 41 HN GLU 41 9.949 -4.719 0.167 323 HA GLU 41 HA GLU 41 7.832 -6.668 -0.212 324 1HB GLU 41 HB2 GLU 41 9.873 -8.158 -0.778 325 2HB GLU 41 HB1 GLU 41 9.442 -6.862 -1.886 326 1HG GLU 41 HG2 GLU 41 11.235 -5.541 -1.242 327 2HG GLU 41 HG1 GLU 41 11.456 -6.419 0.271 328 H GLU 42 HN GLU 42 7.244 -6.566 2.107 329 HA GLU 42 HA GLU 42 9.081 -8.022 3.873 330 1HB GLU 42 HB1 GLU 42 7.153 -5.915 4.278 331 2HB GLU 42 HB2 GLU 42 6.770 -7.290 5.305 332 1HG GLU 42 HG2 GLU 42 9.473 -7.053 5.633 333 2HG GLU 42 HG1 GLU 42 8.957 -5.373 5.472 334 HA PRO 43 HA PRO 43 6.443 -11.529 3.255 335 1HB PRO 43 HB1 PRO 43 7.844 -13.309 4.717 336 2HB PRO 43 HB2 PRO 43 8.408 -12.703 3.156 337 1HG PRO 43 HG2 PRO 43 9.347 -12.060 5.888 338 2HG PRO 43 HG1 PRO 43 10.226 -11.998 4.353 339 1HD PRO 43 HD1 PRO 43 9.069 -9.824 5.767 340 2HD PRO 43 HD2 PRO 43 9.806 -9.785 4.158 341 H ILE 44 HN ILE 44 5.025 -12.917 4.333 342 HA ILE 44 HA ILE 44 4.430 -12.169 7.119 343 HB ILE 44 HB ILE 44 2.263 -13.008 5.244 344 1HG1 ILE 44 HG12 ILE 44 3.501 -11.218 4.073 345 2HG1 ILE 44 HG11 ILE 44 1.897 -10.687 4.563 346 1HG2 ILE 44 HG21 ILE 44 0.838 -11.903 6.736 347 2HG2 ILE 44 HG22 ILE 44 2.156 -10.969 7.442 348 3HG2 ILE 44 HG23 ILE 44 2.027 -12.697 7.768 349 1HD1 ILE 44 HD11 ILE 44 2.991 -8.881 5.309 350 2HD1 ILE 44 HD12 ILE 44 4.542 -9.721 5.371 351 3HD1 ILE 44 HD13 ILE 44 3.386 -9.901 6.691 352 H ALA 45 HN ALA 45 2.836 -14.526 5.029 353 HA ALA 45 HA ALA 45 2.870 -16.543 7.024 354 1HB ALA 45 HB1 ALA 45 1.195 -16.263 5.135 355 2HB ALA 45 HB2 ALA 45 1.738 -17.906 5.477 356 3HB ALA 45 HB3 ALA 45 2.399 -17.028 4.097 357 H PHE 46 HN PHE 46 3.482 -18.817 5.349 358 HA PHE 46 HA PHE 46 6.276 -19.017 5.877 359 1HB PHE 46 HB2 PHE 46 4.203 -20.815 4.679 360 2HB PHE 46 HB1 PHE 46 5.905 -21.224 4.488 361 HD1 PHE 46 HD1 PHE 46 3.087 -21.663 6.495 362 HD2 PHE 46 HD2 PHE 46 7.299 -21.101 6.740 363 HE1 PHE 46 HE1 PHE 46 3.090 -22.683 8.734 364 HE2 PHE 46 HE2 PHE 46 7.309 -22.119 8.980 365 HZ PHE 46 HZ PHE 46 5.202 -22.912 9.979 366 H GLY 47 HN GLY 47 4.363 -18.157 3.126 367 1HA GLY 47 HA1 GLY 47 6.805 -17.544 1.647 368 2HA GLY 47 HA2 GLY 47 5.698 -18.683 0.898 369 H LEU 48 HN LEU 48 3.825 -16.584 2.636 370 HA LEU 48 HA LEU 48 3.153 -15.101 0.219 371 1HB LEU 48 HB2 LEU 48 1.697 -14.997 2.852 372 2HB LEU 48 HB1 LEU 48 1.092 -14.551 1.269 373 HG LEU 48 HG LEU 48 1.460 -17.282 2.447 374 1HD1 LEU 48 HD11 LEU 48 -0.727 -15.568 1.748 375 2HD1 LEU 48 HD12 LEU 48 -0.746 -17.118 2.588 376 3HD1 LEU 48 HD13 LEU 48 -0.824 -17.069 0.826 377 1HD2 LEU 48 HD21 LEU 48 1.049 -18.231 0.192 378 2HD2 LEU 48 HD22 LEU 48 2.628 -17.465 0.360 379 3HD2 LEU 48 HD23 LEU 48 1.330 -16.629 -0.491 380 H VAL 49 HN VAL 49 4.558 -13.460 -0.032 381 HA VAL 49 HA VAL 49 5.291 -11.796 2.229 382 HB VAL 49 HB VAL 49 6.193 -11.774 -0.652 383 1HG1 VAL 49 HG21 VAL 49 7.930 -10.333 1.121 384 2HG1 VAL 49 HG22 VAL 49 6.306 -9.651 1.182 385 3HG1 VAL 49 HG23 VAL 49 7.148 -9.789 -0.361 386 1HG2 VAL 49 HG11 VAL 49 7.787 -13.207 -0.053 387 2HG2 VAL 49 HG12 VAL 49 6.888 -13.446 1.445 388 3HG2 VAL 49 HG13 VAL 49 8.195 -12.264 1.381 389 H ALA 50 HN ALA 50 4.536 -9.825 2.642 390 HA ALA 50 HA ALA 50 2.495 -8.710 0.879 391 1HB ALA 50 HB1 ALA 50 1.801 -7.370 2.719 392 2HB ALA 50 HB2 ALA 50 3.275 -7.736 3.618 393 3HB ALA 50 HB3 ALA 50 2.080 -9.001 3.338 394 H LEU 51 HN LEU 51 2.462 -6.368 0.534 395 HA LEU 51 HA LEU 51 5.178 -5.245 0.297 396 1HB LEU 51 HB1 LEU 51 2.873 -5.312 -1.615 397 2HB LEU 51 HB2 LEU 51 3.959 -3.938 -1.652 398 HG LEU 51 HG LEU 51 5.858 -5.498 -2.037 399 1HD1 LEU 51 HD11 LEU 51 5.339 -7.808 -2.712 400 2HD1 LEU 51 HD12 LEU 51 3.662 -7.554 -2.227 401 3HD1 LEU 51 HD13 LEU 51 4.948 -7.491 -1.021 402 1HD2 LEU 51 HD21 LEU 51 3.551 -5.412 -3.953 403 2HD2 LEU 51 HD22 LEU 51 5.079 -6.190 -4.370 404 3HD2 LEU 51 HD23 LEU 51 5.044 -4.472 -3.972 405 H ASN 52 HN ASN 52 5.467 -3.482 1.468 406 HA ASN 52 HA ASN 52 3.161 -2.061 2.542 407 1HB ASN 52 HB1 ASN 52 6.022 -1.336 3.124 408 2HB ASN 52 HB2 ASN 52 4.603 -1.176 4.156 409 1HD2 ASN 52 HD22 ASN 52 3.635 -3.842 3.652 410 2HD2 ASN 52 HD21 ASN 52 4.679 -4.918 4.508 411 H VAL 53 HN VAL 53 2.398 -0.968 0.794 412 HA VAL 53 HA VAL 53 4.126 0.726 -0.771 413 HB VAL 53 HB VAL 53 1.119 0.618 -0.899 414 1HG1 VAL 53 HG21 VAL 53 2.554 0.934 -3.383 415 2HG1 VAL 53 HG22 VAL 53 3.009 2.178 -2.220 416 3HG1 VAL 53 HG23 VAL 53 1.316 1.962 -2.661 417 1HG2 VAL 53 HG11 VAL 53 1.233 -1.174 -2.441 418 2HG2 VAL 53 HG12 VAL 53 2.187 -1.656 -1.038 419 3HG2 VAL 53 HG13 VAL 53 2.994 -1.097 -2.503 420 H MET 54 HN MET 54 4.822 2.491 0.250 421 HA MET 54 HA MET 54 3.067 4.054 1.947 422 1HB MET 54 HB1 MET 54 5.939 4.436 1.070 423 2HB MET 54 HB2 MET 54 5.091 5.552 2.131 424 1HG MET 54 HG1 MET 54 5.470 4.283 3.905 425 2HG MET 54 HG2 MET 54 4.876 2.840 3.086 426 1HE MET 54 HE1 MET 54 8.067 1.401 4.407 427 2HE MET 54 HE2 MET 54 6.877 0.729 3.291 428 3HE MET 54 HE3 MET 54 6.348 1.710 4.657 429 H VAL 55 HN VAL 55 2.865 6.415 1.571 430 HA VAL 55 HA VAL 55 2.879 7.119 -1.272 431 HB VAL 55 HB VAL 55 0.652 7.932 -1.259 432 1HG1 VAL 55 HG11 VAL 55 -0.655 5.915 -0.773 433 2HG1 VAL 55 HG12 VAL 55 0.715 5.258 0.124 434 3HG1 VAL 55 HG13 VAL 55 0.850 5.539 -1.613 435 1HG2 VAL 55 HG21 VAL 55 -0.637 7.327 1.041 436 2HG2 VAL 55 HG22 VAL 55 0.020 8.920 0.663 437 3HG2 VAL 55 HG23 VAL 55 0.945 7.800 1.662 438 H VAL 56 HN VAL 56 3.701 9.075 -1.644 439 HA VAL 56 HA VAL 56 4.239 10.790 0.664 440 HB VAL 56 HB VAL 56 6.227 10.575 -0.470 441 1HG1 VAL 56 HG21 VAL 56 6.162 9.523 -2.421 442 2HG1 VAL 56 HG22 VAL 56 5.907 11.102 -3.166 443 3HG1 VAL 56 HG23 VAL 56 4.524 10.088 -2.754 444 1HG2 VAL 56 HG11 VAL 56 5.075 13.053 -0.497 445 2HG2 VAL 56 HG12 VAL 56 5.592 12.862 -2.172 446 3HG2 VAL 56 HG13 VAL 56 6.765 12.709 -0.865 447 H VAL 57 HN VAL 57 2.713 12.216 1.127 448 HA VAL 57 HA VAL 57 1.536 13.771 -1.071 449 HB VAL 57 HB VAL 57 -0.617 13.721 -0.180 450 1HG1 VAL 57 HG21 VAL 57 -1.214 11.407 -0.053 451 2HG1 VAL 57 HG22 VAL 57 0.423 10.961 0.429 452 3HG1 VAL 57 HG23 VAL 57 0.118 11.571 -1.198 453 1HG2 VAL 57 HG11 VAL 57 -1.212 12.915 2.028 454 2HG2 VAL 57 HG12 VAL 57 0.004 14.186 2.153 455 3HG2 VAL 57 HG13 VAL 57 0.469 12.497 2.352 456 H GLY 58 HN GLY 58 1.131 15.956 -0.647 457 1HA GLY 58 HA2 GLY 58 1.521 17.113 1.929 458 2HA GLY 58 HA1 GLY 58 2.946 17.319 0.923 459 H ASP 59 HN ASP 59 2.268 18.054 -1.433 460 HA ASP 59 HA ASP 59 0.929 20.581 -1.072 461 1HB ASP 59 HB2 ASP 59 2.976 20.317 -2.489 462 2HB ASP 59 HB1 ASP 59 2.017 19.367 -3.622 463 H ALA 60 HN ALA 60 -0.003 17.473 -1.822 464 HA ALA 60 HA ALA 60 -2.076 17.939 -3.703 465 1HB ALA 60 HB1 ALA 60 -0.890 15.736 -2.930 466 2HB ALA 60 HB2 ALA 60 -2.563 15.710 -3.485 467 3HB ALA 60 HB3 ALA 60 -2.207 15.689 -1.759 468 H GLU 61 HN GLU 61 -4.041 16.367 -2.021 469 HA GLU 61 HA GLU 61 -4.887 18.339 -0.054 470 1HB GLU 61 HB1 GLU 61 -7.273 17.895 -1.294 471 2HB GLU 61 HB2 GLU 61 -6.268 19.316 -1.545 472 1HG GLU 61 HG1 GLU 61 -5.283 18.321 -3.509 473 2HG GLU 61 HG2 GLU 61 -6.174 16.826 -3.232 474 H GLY 62 HN GLY 62 -7.434 17.397 0.420 475 1HA GLY 62 HA1 GLY 62 -6.840 14.904 1.763 476 2HA GLY 62 HA2 GLY 62 -8.336 15.823 1.875 477 H GLY 63 HN GLY 63 -7.250 15.296 -1.295 478 1HA GLY 63 HA2 GLY 63 -9.537 13.744 -1.970 479 2HA GLY 63 HA1 GLY 63 -8.196 14.133 -3.037 480 H THR 64 HN THR 64 -6.819 12.787 -0.385 481 HA THR 64 HA THR 64 -6.266 10.328 -1.736 482 HB THR 64 HB THR 64 -4.688 9.931 -0.098 483 HG1 THR 64 HG1 THR 64 -5.268 9.918 1.901 484 1HG2 THR 64 HG21 THR 64 -4.411 12.518 0.941 485 2HG2 THR 64 HG22 THR 64 -5.000 12.696 -0.712 486 3HG2 THR 64 HG23 THR 64 -3.528 11.778 -0.393 487 H GLU 65 HN GLU 65 -8.897 11.341 -0.080 488 HA GLU 65 HA GLU 65 -9.622 9.259 1.632 489 1HB GLU 65 HB2 GLU 65 -11.969 9.934 1.067 490 2HB GLU 65 HB1 GLU 65 -10.932 11.265 1.553 491 1HG GLU 65 HG2 GLU 65 -11.004 12.250 -0.474 492 2HG GLU 65 HG1 GLU 65 -11.077 10.715 -1.337 493 H ALA 66 HN ALA 66 -9.403 9.445 -1.775 494 HA ALA 66 HA ALA 66 -11.159 7.472 -2.621 495 1HB ALA 66 HB1 ALA 66 -8.530 8.400 -3.739 496 2HB ALA 66 HB2 ALA 66 -10.159 8.811 -4.275 497 3HB ALA 66 HB3 ALA 66 -9.524 7.187 -4.545 498 H ALA 67 HN ALA 67 -8.054 7.173 -1.060 499 HA ALA 67 HA ALA 67 -7.428 4.531 -1.697 500 1HB ALA 67 HB1 ALA 67 -6.571 4.815 0.911 501 2HB ALA 67 HB2 ALA 67 -6.610 6.471 0.304 502 3HB ALA 67 HB3 ALA 67 -5.661 5.245 -0.537 503 H GLU 68 HN GLU 68 -9.118 5.741 1.203 504 HA GLU 68 HA GLU 68 -9.826 3.255 2.252 505 1HB GLU 68 HB1 GLU 68 -11.189 5.942 2.483 506 2HB GLU 68 HB2 GLU 68 -11.652 4.533 3.427 507 1HG GLU 68 HG2 GLU 68 -8.849 4.890 3.687 508 2HG GLU 68 HG1 GLU 68 -9.637 6.442 3.968 509 H GLU 69 HN GLU 69 -11.383 5.259 -0.180 510 HA GLU 69 HA GLU 69 -13.837 3.889 -0.337 511 1HB GLU 69 HB1 GLU 69 -12.601 6.041 -1.660 512 2HB GLU 69 HB2 GLU 69 -12.967 4.864 -2.913 513 1HG GLU 69 HG2 GLU 69 -15.300 4.846 -1.607 514 2HG GLU 69 HG1 GLU 69 -14.776 6.490 -1.246 515 H SER 70 HN SER 70 -10.847 3.552 -2.223 516 HA SER 70 HA SER 70 -11.735 1.368 -3.784 517 1HB SER 70 HB2 SER 70 -9.473 1.177 -4.528 518 2HB SER 70 HB1 SER 70 -9.774 2.899 -4.293 519 HG SER 70 HG SER 70 -8.059 2.800 -3.084 520 H LEU 71 HN LEU 71 -10.627 1.636 -0.554 521 HA LEU 71 HA LEU 71 -9.644 -1.020 -0.245 522 1HB LEU 71 HB2 LEU 71 -9.842 1.331 1.330 523 2HB LEU 71 HB1 LEU 71 -10.606 0.038 2.230 524 HG LEU 71 HG LEU 71 -8.279 0.232 2.866 525 1HD1 LEU 71 HD11 LEU 71 -9.136 -2.195 1.359 526 2HD1 LEU 71 HD12 LEU 71 -8.910 -1.969 3.093 527 3HD1 LEU 71 HD13 LEU 71 -7.508 -2.112 2.033 528 1HD2 LEU 71 HD21 LEU 71 -6.573 -0.456 1.042 529 2HD2 LEU 71 HD22 LEU 71 -7.150 1.209 1.102 530 3HD2 LEU 71 HD23 LEU 71 -7.819 0.087 -0.082 531 H SER 72 HN SER 72 -12.775 0.468 -0.092 532 HA SER 72 HA SER 72 -14.141 -1.516 1.379 533 1HB SER 72 HB1 SER 72 -14.788 0.912 0.078 534 2HB SER 72 HB2 SER 72 -15.850 -0.321 -0.605 535 HG SER 72 HG SER 72 -16.612 -0.778 1.425 536 H GLY 73 HN GLY 73 -12.766 -1.562 -1.706 537 1HA GLY 73 HA2 GLY 73 -13.919 -4.186 -2.232 538 2HA GLY 73 HA1 GLY 73 -14.216 -2.950 -3.445 539 H ILE 74 HN ILE 74 -11.297 -3.002 -1.602 540 HA ILE 74 HA ILE 74 -9.669 -3.085 -3.937 541 HB ILE 74 HB ILE 74 -9.261 -1.935 -1.636 542 1HG1 ILE 74 HG12 ILE 74 -6.727 -3.149 -2.523 543 2HG1 ILE 74 HG11 ILE 74 -7.695 -2.419 -3.801 544 1HG2 ILE 74 HG21 ILE 74 -7.794 -4.499 -1.089 545 2HG2 ILE 74 HG22 ILE 74 -9.371 -4.120 -0.397 546 3HG2 ILE 74 HG23 ILE 74 -7.980 -3.099 -0.032 547 1HD1 ILE 74 HD11 ILE 74 -7.493 -0.728 -1.452 548 2HD1 ILE 74 HD12 ILE 74 -7.178 -0.362 -3.149 549 3HD1 ILE 74 HD13 ILE 74 -5.926 -1.114 -2.163 550 H GLU 75 HN GLU 75 -7.480 -4.654 -3.002 551 HA GLU 75 HA GLU 75 -7.929 -7.118 -4.144 552 1HB GLU 75 HB2 GLU 75 -5.839 -5.807 -2.643 553 2HB GLU 75 HB1 GLU 75 -5.974 -7.493 -2.141 554 1HG GLU 75 HG2 GLU 75 -4.437 -7.575 -3.863 555 2HG GLU 75 HG1 GLU 75 -5.950 -8.024 -4.651 556 H GLY 76 HN GLY 76 -9.849 -8.047 -3.464 557 1HA GLY 76 HA1 GLY 76 -10.632 -8.460 -0.802 558 2HA GLY 76 HA2 GLY 76 -11.207 -9.378 -2.185 559 H VAL 77 HN VAL 77 -8.408 -10.198 -2.818 560 HA VAL 77 HA VAL 77 -8.335 -12.499 -1.044 561 HB VAL 77 HB VAL 77 -8.017 -12.594 -3.583 562 1HG1 VAL 77 HG11 VAL 77 -6.330 -10.724 -3.590 563 2HG1 VAL 77 HG12 VAL 77 -5.894 -12.162 -4.514 564 3HG1 VAL 77 HG13 VAL 77 -5.175 -11.881 -2.929 565 1HG2 VAL 77 HG21 VAL 77 -6.168 -13.924 -1.613 566 2HG2 VAL 77 HG22 VAL 77 -6.201 -14.368 -3.321 567 3HG2 VAL 77 HG23 VAL 77 -7.648 -14.563 -2.334 568 H SER 78 HN SER 78 -6.381 -9.735 -1.939 569 HA SER 78 HA SER 78 -4.396 -10.403 0.084 570 1HB SER 78 HB1 SER 78 -3.377 -9.712 -1.949 571 2HB SER 78 HB2 SER 78 -4.489 -8.357 -2.132 572 HG SER 78 HG SER 78 -2.123 -8.310 -1.027 573 H ASN 79 HN ASN 79 -5.499 -9.977 2.008 574 HA ASN 79 HA ASN 79 -6.799 -7.425 2.396 575 1HB ASN 79 HB2 ASN 79 -7.282 -9.690 3.655 576 2HB ASN 79 HB1 ASN 79 -5.991 -9.130 4.715 577 1HD2 ASN 79 HD21 ASN 79 -6.467 -6.365 4.753 578 2HD2 ASN 79 HD22 ASN 79 -7.998 -6.083 5.497 579 H ILE 80 HN ILE 80 -5.928 -5.651 3.125 580 HA ILE 80 HA ILE 80 -3.059 -5.677 3.558 581 HB ILE 80 HB ILE 80 -4.877 -3.308 3.220 582 1HG1 ILE 80 HG12 ILE 80 -3.310 -4.560 0.987 583 2HG1 ILE 80 HG11 ILE 80 -4.947 -5.092 1.351 584 1HG2 ILE 80 HG21 ILE 80 -2.173 -3.539 3.834 585 2HG2 ILE 80 HG22 ILE 80 -3.051 -2.083 3.367 586 3HG2 ILE 80 HG23 ILE 80 -2.238 -3.054 2.140 587 1HD1 ILE 80 HD11 ILE 80 -4.215 -3.014 -0.309 588 2HD1 ILE 80 HD12 ILE 80 -4.773 -2.215 1.162 589 3HD1 ILE 80 HD13 ILE 80 -5.831 -3.345 0.317 590 H GLU 81 HN GLU 81 -2.047 -4.653 5.237 591 HA GLU 81 HA GLU 81 -3.601 -4.268 7.671 592 1HB GLU 81 HB1 GLU 81 -0.867 -3.536 8.014 593 2HB GLU 81 HB2 GLU 81 -1.737 -4.885 8.734 594 1HG GLU 81 HG2 GLU 81 -0.619 -5.038 5.968 595 2HG GLU 81 HG1 GLU 81 0.361 -5.381 7.390 596 H VAL 82 HN VAL 82 -4.724 -2.580 6.567 597 HA VAL 82 HA VAL 82 -3.304 -0.269 5.661 598 HB VAL 82 HB VAL 82 -6.268 -0.819 5.963 599 1HG1 VAL 82 HG21 VAL 82 -5.170 1.663 5.766 600 2HG1 VAL 82 HG22 VAL 82 -6.752 1.231 5.115 601 3HG1 VAL 82 HG23 VAL 82 -5.337 1.240 4.063 602 1HG2 VAL 82 HG11 VAL 82 -5.621 -2.272 4.327 603 2HG2 VAL 82 HG12 VAL 82 -4.288 -1.247 3.786 604 3HG2 VAL 82 HG13 VAL 82 -5.950 -0.828 3.364 605 H THR 83 HN THR 83 -2.437 -0.390 8.068 606 HA THR 83 HA THR 83 -3.873 1.704 9.529 607 HB THR 83 HB THR 83 -2.479 -0.501 11.018 608 HG1 THR 83 HG1 THR 83 -4.247 -1.255 9.552 609 1HG2 THR 83 HG21 THR 83 -3.911 1.828 11.770 610 2HG2 THR 83 HG22 THR 83 -3.137 0.619 12.794 611 3HG2 THR 83 HG23 THR 83 -4.816 0.409 12.298 612 H ASP 84 HN ASP 84 -1.156 0.997 7.896 613 HA ASP 84 HA ASP 84 0.755 2.007 9.836 614 1HB ASP 84 HB1 ASP 84 1.229 0.148 8.145 615 2HB ASP 84 HB2 ASP 84 1.296 1.421 6.931 616 H VAL 85 HN VAL 85 1.622 4.003 9.851 617 HA VAL 85 HA VAL 85 1.043 5.857 7.675 618 HB VAL 85 HB VAL 85 -0.800 5.941 9.453 619 1HG1 VAL 85 HG11 VAL 85 0.588 7.816 11.121 620 2HG1 VAL 85 HG12 VAL 85 1.413 6.257 11.148 621 3HG1 VAL 85 HG13 VAL 85 -0.296 6.358 11.573 622 1HG2 VAL 85 HG21 VAL 85 0.106 8.672 9.426 623 2HG2 VAL 85 HG22 VAL 85 -1.231 7.925 8.551 624 3HG2 VAL 85 HG23 VAL 85 0.393 7.906 7.863 625 H ARG 86 HN ARG 86 2.234 7.889 7.874 626 HA ARG 86 HA ARG 86 4.477 7.919 9.725 627 1HB ARG 86 HB1 ARG 86 4.762 7.640 6.740 628 2HB ARG 86 HB2 ARG 86 6.029 8.364 7.719 629 1HG ARG 86 HG2 ARG 86 5.537 6.056 9.076 630 2HG ARG 86 HG1 ARG 86 5.260 5.567 7.403 631 1HD ARG 86 HD2 ARG 86 7.475 6.659 6.855 632 2HD ARG 86 HD1 ARG 86 7.742 6.776 8.594 633 HE ARG 86 HE ARG 86 7.746 4.351 6.983 634 1HH1 ARG 86 HH12 ARG 86 7.852 5.804 10.149 635 2HH1 ARG 86 HH11 ARG 86 8.502 4.395 10.916 636 1HH2 ARG 86 HH22 ARG 86 8.602 2.491 7.984 637 2HH2 ARG 86 HH21 ARG 86 8.928 2.511 9.686 638 H ARG 87 HN ARG 87 3.564 9.804 10.541 639 HA ARG 87 HA ARG 87 2.991 12.047 8.826 640 1HB ARG 87 HB1 ARG 87 2.901 11.533 11.771 641 2HB ARG 87 HB2 ARG 87 2.912 13.196 11.201 642 1HG ARG 87 HG1 ARG 87 0.985 11.486 9.823 643 2HG ARG 87 HG2 ARG 87 0.689 11.666 11.554 644 1HD ARG 87 HD2 ARG 87 1.067 14.193 11.088 645 2HD ARG 87 HD1 ARG 87 0.737 13.751 9.412 646 HE ARG 87 HE ARG 87 -1.234 12.799 11.278 647 1HH1 ARG 87 HH11 ARG 87 -0.237 15.468 9.270 648 2HH1 ARG 87 HH12 ARG 87 -1.830 16.137 9.147 649 1HH2 ARG 87 HH21 ARG 87 -3.333 13.672 11.121 650 2HH2 ARG 87 HH22 ARG 87 -3.589 15.117 10.200 651 H LEU 88 HN LEU 88 4.620 13.113 7.894 652 HA LEU 88 HA LEU 88 7.233 13.234 9.140 653 1HB LEU 88 HB1 LEU 88 6.097 14.064 6.517 654 2HB LEU 88 HB2 LEU 88 7.531 14.889 7.085 655 HG LEU 88 HG LEU 88 8.690 12.712 7.240 656 1HD1 LEU 88 HD21 LEU 88 6.046 11.723 6.213 657 2HD1 LEU 88 HD22 LEU 88 6.997 11.131 7.576 658 3HD1 LEU 88 HD23 LEU 88 7.544 10.834 5.926 659 1HD2 LEU 88 HD11 LEU 88 8.774 12.359 4.750 660 2HD2 LEU 88 HD12 LEU 88 9.033 14.021 5.290 661 3HD2 LEU 88 HD13 LEU 88 7.472 13.543 4.623 662 H MET 89 HN MET 89 6.502 14.396 11.062 663 HA MET 89 HA MET 89 5.801 17.200 10.655 664 1HB MET 89 HB1 MET 89 5.574 17.220 13.154 665 2HB MET 89 HB2 MET 89 4.493 16.104 12.329 666 1HG MET 89 HG2 MET 89 6.109 14.277 12.845 667 2HG MET 89 HG1 MET 89 7.013 15.432 13.823 668 1HE MET 89 HE1 MET 89 3.550 13.518 13.444 669 2HE MET 89 HE2 MET 89 3.160 15.234 13.340 670 3HE MET 89 HE3 MET 89 2.636 14.293 14.738 Start of MODEL 13 1 1H MET 1 HT1 MET 1 11.325 13.533 7.111 2 2H MET 1 HT2 MET 1 9.787 14.272 6.922 3 3H MET 1 HT3 MET 1 10.366 13.883 8.490 4 HA MET 1 HA MET 1 11.900 15.530 8.496 5 1HB MET 1 HB1 MET 1 12.390 16.804 6.341 6 2HB MET 1 HB2 MET 1 12.998 15.157 6.435 7 1HG MET 1 HG2 MET 1 10.333 15.326 5.279 8 2HG MET 1 HG1 MET 1 11.546 16.229 4.374 9 1HE MET 1 HE1 MET 1 12.059 15.445 2.536 10 2HE MET 1 HE2 MET 1 12.138 13.779 1.963 11 3HE MET 1 HE3 MET 1 13.562 14.533 2.680 12 H GLY 2 HN GLY 2 9.216 15.889 6.203 13 1HA GLY 2 HA2 GLY 2 7.852 17.737 7.943 14 2HA GLY 2 HA1 GLY 2 8.493 18.494 6.490 15 H ASP 3 HN ASP 3 8.003 15.527 5.484 16 HA ASP 3 HA ASP 3 5.358 16.137 4.385 17 1HB ASP 3 HB2 ASP 3 5.849 14.576 2.636 18 2HB ASP 3 HB1 ASP 3 7.269 15.596 2.839 19 H VAL 4 HN VAL 4 3.727 14.510 4.305 20 HA VAL 4 HA VAL 4 3.841 12.659 6.576 21 HB VAL 4 HB VAL 4 1.406 13.359 4.944 22 1HG1 VAL 4 HG21 VAL 4 0.371 12.707 7.244 23 2HG1 VAL 4 HG22 VAL 4 1.909 11.880 7.490 24 3HG1 VAL 4 HG23 VAL 4 0.882 11.445 6.124 25 1HG2 VAL 4 HG11 VAL 4 1.364 15.367 5.884 26 2HG2 VAL 4 HG12 VAL 4 2.857 15.017 6.758 27 3HG2 VAL 4 HG13 VAL 4 1.300 14.601 7.473 28 H VAL 5 HN VAL 5 4.475 10.651 6.094 29 HA VAL 5 HA VAL 5 3.871 9.562 3.433 30 HB VAL 5 HB VAL 5 5.928 8.814 5.512 31 1HG1 VAL 5 HG11 VAL 5 5.486 6.688 4.842 32 2HG1 VAL 5 HG12 VAL 5 6.573 7.160 3.534 33 3HG1 VAL 5 HG13 VAL 5 4.826 7.193 3.285 34 1HG2 VAL 5 HG21 VAL 5 7.034 9.060 2.945 35 2HG2 VAL 5 HG22 VAL 5 7.206 10.170 4.305 36 3HG2 VAL 5 HG23 VAL 5 5.916 10.412 3.129 37 H ALA 6 HN ALA 6 2.119 8.273 3.315 38 HA ALA 6 HA ALA 6 1.242 6.811 5.699 39 1HB ALA 6 HB1 ALA 6 -0.742 7.473 4.908 40 2HB ALA 6 HB2 ALA 6 -0.553 6.193 3.709 41 3HB ALA 6 HB3 ALA 6 -0.081 7.848 3.316 42 H THR 7 HN THR 7 0.513 4.474 5.286 43 HA THR 7 HA THR 7 2.127 3.183 3.226 44 HB THR 7 HB THR 7 2.261 2.258 6.085 45 HG1 THR 7 HG1 THR 7 3.686 4.197 4.755 46 1HG2 THR 7 HG21 THR 7 3.801 1.503 3.623 47 2HG2 THR 7 HG22 THR 7 2.759 0.475 4.613 48 3HG2 THR 7 HG23 THR 7 4.285 1.073 5.266 49 H ILE 8 HN ILE 8 1.304 1.456 2.354 50 HA ILE 8 HA ILE 8 -1.114 0.235 3.518 51 HB ILE 8 HB ILE 8 -0.568 0.586 0.569 52 1HG1 ILE 8 HG12 ILE 8 -0.820 2.777 1.839 53 2HG1 ILE 8 HG11 ILE 8 -1.959 2.513 0.525 54 1HG2 ILE 8 HG21 ILE 8 -2.808 -0.478 2.197 55 2HG2 ILE 8 HG22 ILE 8 -2.109 -1.080 0.692 56 3HG2 ILE 8 HG23 ILE 8 -3.175 0.326 0.668 57 1HD1 ILE 8 HD11 ILE 8 -3.738 2.474 1.900 58 2HD1 ILE 8 HD12 ILE 8 -2.659 3.374 2.967 59 3HD1 ILE 8 HD13 ILE 8 -2.864 1.635 3.182 60 H LYS 9 HN LYS 9 -0.441 -1.741 4.212 61 HA LYS 9 HA LYS 9 1.600 -3.190 2.691 62 1HB LYS 9 HB1 LYS 9 0.649 -4.391 5.189 63 2HB LYS 9 HB2 LYS 9 2.286 -4.107 4.619 64 1HG LYS 9 HG2 LYS 9 0.871 -1.659 5.349 65 2HG LYS 9 HG1 LYS 9 1.056 -2.795 6.680 66 1HD LYS 9 HD2 LYS 9 3.378 -2.081 4.936 67 2HD LYS 9 HD1 LYS 9 2.899 -1.059 6.291 68 1HE LYS 9 HE1 LYS 9 3.109 -2.999 7.796 69 2HE LYS 9 HE2 LYS 9 3.670 -3.968 6.433 70 1HZ LYS 9 HZ1 LYS 9 5.460 -2.193 6.200 71 2HZ LYS 9 HZ2 LYS 9 5.603 -3.271 7.496 72 3HZ LYS 9 HZ3 LYS 9 5.025 -1.703 7.759 73 H VAL 10 HN VAL 10 0.525 -4.160 1.022 74 HA VAL 10 HA VAL 10 -1.875 -5.702 1.585 75 HB VAL 10 HB VAL 10 -2.490 -5.323 -0.520 76 1HG1 VAL 10 HG21 VAL 10 -1.947 -3.234 -1.048 77 2HG1 VAL 10 HG22 VAL 10 -0.289 -3.692 -1.439 78 3HG1 VAL 10 HG23 VAL 10 -0.728 -3.307 0.226 79 1HG2 VAL 10 HG11 VAL 10 -1.440 -6.956 -1.706 80 2HG2 VAL 10 HG12 VAL 10 0.172 -6.445 -1.202 81 3HG2 VAL 10 HG13 VAL 10 -0.693 -5.537 -2.441 82 H MET 11 HN MET 11 -2.073 -7.879 1.547 83 HA MET 11 HA MET 11 0.106 -9.512 0.538 84 1HB MET 11 HB2 MET 11 1.006 -10.024 2.510 85 2HB MET 11 HB1 MET 11 -0.127 -8.942 3.307 86 1HG MET 11 HG1 MET 11 -1.063 -10.661 4.321 87 2HG MET 11 HG2 MET 11 -1.494 -11.363 2.765 88 1HE MET 11 HE1 MET 11 -0.724 -14.314 3.121 89 2HE MET 11 HE2 MET 11 -1.602 -13.295 4.263 90 3HE MET 11 HE3 MET 11 -0.244 -14.274 4.818 91 HA PRO 12 HA PRO 12 -3.536 -11.804 -0.712 92 1HB PRO 12 HB1 PRO 12 -1.629 -13.652 -1.948 93 2HB PRO 12 HB2 PRO 12 -2.811 -12.590 -2.716 94 1HG PRO 12 HG1 PRO 12 -0.158 -12.149 -2.885 95 2HG PRO 12 HG2 PRO 12 -1.338 -10.828 -2.843 96 1HD PRO 12 HD2 PRO 12 0.354 -11.924 -0.617 97 2HD PRO 12 HD1 PRO 12 0.035 -10.231 -1.055 98 H GLU 13 HN GLU 13 -4.574 -13.157 0.595 99 HA GLU 13 HA GLU 13 -3.391 -14.685 2.611 100 1HB GLU 13 HB1 GLU 13 -6.070 -14.363 1.471 101 2HB GLU 13 HB2 GLU 13 -5.785 -15.964 2.138 102 1HG GLU 13 HG1 GLU 13 -5.363 -13.380 3.620 103 2HG GLU 13 HG2 GLU 13 -6.792 -14.404 3.750 104 H SER 14 HN SER 14 -4.114 -15.475 -0.715 105 HA SER 14 HA SER 14 -3.721 -18.302 -0.385 106 1HB SER 14 HB2 SER 14 -4.442 -16.473 -2.567 107 2HB SER 14 HB1 SER 14 -3.431 -17.823 -3.081 108 HG SER 14 HG SER 14 -5.246 -18.820 -1.464 109 HA PRO 15 HA PRO 15 0.670 -18.506 -0.734 110 1HB PRO 15 HB2 PRO 15 1.003 -20.828 -2.116 111 2HB PRO 15 HB1 PRO 15 0.542 -20.772 -0.412 112 1HG PRO 15 HG2 PRO 15 -1.178 -21.158 -2.832 113 2HG PRO 15 HG1 PRO 15 -1.236 -22.001 -1.273 114 1HD PRO 15 HD2 PRO 15 -2.954 -20.014 -1.904 115 2HD PRO 15 HD1 PRO 15 -2.387 -20.285 -0.244 116 H ASP 16 HN ASP 16 -1.316 -17.962 -3.341 117 HA ASP 16 HA ASP 16 0.802 -17.937 -5.346 118 1HB ASP 16 HB2 ASP 16 -2.040 -18.254 -5.425 119 2HB ASP 16 HB1 ASP 16 -1.617 -16.820 -6.356 120 H VAL 17 HN VAL 17 1.243 -16.228 -3.257 121 HA VAL 17 HA VAL 17 0.260 -13.615 -3.587 122 HB VAL 17 HB VAL 17 2.866 -14.532 -2.356 123 1HG1 VAL 17 HG21 VAL 17 1.672 -11.855 -2.680 124 2HG1 VAL 17 HG22 VAL 17 3.353 -12.329 -2.432 125 3HG1 VAL 17 HG23 VAL 17 2.252 -12.241 -1.057 126 1HG2 VAL 17 HG11 VAL 17 1.750 -15.006 -0.468 127 2HG2 VAL 17 HG12 VAL 17 0.346 -15.116 -1.528 128 3HG2 VAL 17 HG13 VAL 17 0.666 -13.626 -0.644 129 H ASP 18 HN ASP 18 0.430 -13.443 -5.972 130 HA ASP 18 HA ASP 18 3.000 -13.223 -7.224 131 1HB ASP 18 HB1 ASP 18 0.213 -12.427 -8.077 132 2HB ASP 18 HB2 ASP 18 1.634 -12.117 -9.072 133 H LEU 19 HN LEU 19 4.173 -11.765 -5.975 134 HA LEU 19 HA LEU 19 3.177 -9.282 -5.113 135 1HB LEU 19 HB2 LEU 19 5.341 -8.774 -4.346 136 2HB LEU 19 HB1 LEU 19 5.112 -10.490 -4.108 137 HG LEU 19 HG LEU 19 7.317 -10.298 -4.822 138 1HD1 LEU 19 HD21 LEU 19 6.565 -12.084 -6.049 139 2HD1 LEU 19 HD22 LEU 19 7.259 -11.056 -7.302 140 3HD1 LEU 19 HD23 LEU 19 5.513 -11.091 -7.057 141 1HD2 LEU 19 HD11 LEU 19 7.626 -9.003 -7.154 142 2HD2 LEU 19 HD12 LEU 19 7.820 -8.246 -5.573 143 3HD2 LEU 19 HD13 LEU 19 6.302 -8.071 -6.453 144 H GLU 20 HN GLU 20 4.982 -10.185 -8.017 145 HA GLU 20 HA GLU 20 5.382 -7.515 -8.889 146 1HB GLU 20 HB1 GLU 20 6.832 -9.069 -9.838 147 2HB GLU 20 HB2 GLU 20 5.543 -10.196 -10.229 148 1HG GLU 20 HG2 GLU 20 4.906 -7.947 -11.693 149 2HG GLU 20 HG1 GLU 20 6.664 -8.023 -11.788 150 H ALA 21 HN ALA 21 2.861 -9.888 -9.351 151 HA ALA 21 HA ALA 21 1.404 -8.369 -11.301 152 1HB ALA 21 HB1 ALA 21 1.164 -10.856 -10.901 153 2HB ALA 21 HB2 ALA 21 -0.342 -9.947 -11.037 154 3HB ALA 21 HB3 ALA 21 0.251 -10.441 -9.450 155 H LEU 22 HN LEU 22 1.502 -8.666 -7.840 156 HA LEU 22 HA LEU 22 -0.764 -7.059 -7.232 157 1HB LEU 22 HB2 LEU 22 0.888 -8.685 -5.805 158 2HB LEU 22 HB1 LEU 22 1.519 -7.118 -5.349 159 HG LEU 22 HG LEU 22 -0.138 -6.777 -3.900 160 1HD1 LEU 22 HD21 LEU 22 -2.014 -7.646 -6.084 161 2HD1 LEU 22 HD22 LEU 22 -1.716 -6.012 -5.491 162 3HD1 LEU 22 HD23 LEU 22 -2.561 -7.181 -4.473 163 1HD2 LEU 22 HD11 LEU 22 -0.039 -8.819 -2.993 164 2HD2 LEU 22 HD12 LEU 22 -0.283 -9.636 -4.536 165 3HD2 LEU 22 HD13 LEU 22 -1.663 -8.976 -3.660 166 H LYS 23 HN LYS 23 2.551 -6.479 -8.008 167 HA LYS 23 HA LYS 23 2.970 -3.920 -7.021 168 1HB LYS 23 HB2 LYS 23 4.186 -5.681 -8.982 169 2HB LYS 23 HB1 LYS 23 4.253 -4.008 -9.513 170 1HG LYS 23 HG2 LYS 23 6.053 -3.762 -8.256 171 2HG LYS 23 HG1 LYS 23 5.025 -3.952 -6.832 172 1HD LYS 23 HD2 LYS 23 5.760 -6.041 -6.433 173 2HD LYS 23 HD1 LYS 23 5.822 -6.454 -8.147 174 1HE LYS 23 HE2 LYS 23 8.028 -6.289 -6.780 175 2HE LYS 23 HE1 LYS 23 7.955 -5.625 -8.412 176 1HZ LYS 23 HZ1 LYS 23 7.288 -3.857 -6.176 177 2HZ LYS 23 HZ2 LYS 23 8.032 -3.497 -7.651 178 3HZ LYS 23 HZ3 LYS 23 8.916 -4.245 -6.418 179 H LYS 24 HN LYS 24 1.577 -4.966 -10.106 180 HA LYS 24 HA LYS 24 1.130 -2.344 -11.104 181 1HB LYS 24 HB1 LYS 24 -0.628 -4.599 -11.947 182 2HB LYS 24 HB2 LYS 24 0.141 -3.355 -12.921 183 1HG LYS 24 HG1 LYS 24 2.340 -4.582 -12.269 184 2HG LYS 24 HG2 LYS 24 1.258 -5.930 -11.917 185 1HD LYS 24 HD1 LYS 24 0.873 -4.540 -14.502 186 2HD LYS 24 HD2 LYS 24 2.327 -5.524 -14.333 187 1HE LYS 24 HE2 LYS 24 0.712 -7.336 -13.443 188 2HE LYS 24 HE1 LYS 24 -0.545 -6.362 -14.203 189 1HZ LYS 24 HZ1 LYS 24 0.365 -6.700 -16.308 190 2HZ LYS 24 HZ2 LYS 24 0.485 -8.218 -15.570 191 3HZ LYS 24 HZ3 LYS 24 1.852 -7.229 -15.699 192 H GLU 25 HN GLU 25 -0.883 -4.688 -9.372 193 HA GLU 25 HA GLU 25 -3.270 -3.157 -9.455 194 1HB GLU 25 HB1 GLU 25 -2.437 -5.229 -7.415 195 2HB GLU 25 HB2 GLU 25 -4.077 -4.668 -7.713 196 1HG GLU 25 HG2 GLU 25 -3.461 -5.492 -10.175 197 2HG GLU 25 HG1 GLU 25 -2.406 -6.558 -9.247 198 H ILE 26 HN ILE 26 -0.446 -3.064 -7.504 199 HA ILE 26 HA ILE 26 -1.408 -1.810 -5.204 200 HB ILE 26 HB ILE 26 1.225 -2.179 -6.482 201 1HG1 ILE 26 HG11 ILE 26 0.773 -2.199 -3.542 202 2HG1 ILE 26 HG12 ILE 26 -0.079 -3.409 -4.496 203 1HG2 ILE 26 HG21 ILE 26 1.694 0.045 -6.170 204 2HG2 ILE 26 HG22 ILE 26 2.172 -0.620 -4.606 205 3HG2 ILE 26 HG23 ILE 26 0.614 0.190 -4.782 206 1HD1 ILE 26 HD11 ILE 26 2.644 -3.365 -3.646 207 2HD1 ILE 26 HD12 ILE 26 2.568 -3.426 -5.406 208 3HD1 ILE 26 HD13 ILE 26 1.742 -4.652 -4.446 209 H GLN 27 HN GLN 27 -0.056 -0.398 -8.179 210 HA GLN 27 HA GLN 27 -0.257 2.284 -7.334 211 1HB GLN 27 HB1 GLN 27 -0.388 1.347 -10.194 212 2HB GLN 27 HB2 GLN 27 0.218 2.882 -9.588 213 1HG GLN 27 HG2 GLN 27 1.476 0.190 -9.098 214 2HG GLN 27 HG1 GLN 27 2.017 1.379 -10.279 215 1HE2 GLN 27 HE21 GLN 27 3.771 2.365 -9.647 216 2HE2 GLN 27 HE22 GLN 27 4.145 2.858 -8.033 217 H GLU 28 HN GLU 28 -2.534 0.095 -8.825 218 HA GLU 28 HA GLU 28 -4.445 2.114 -9.514 219 1HB GLU 28 HB1 GLU 28 -5.074 -0.802 -9.107 220 2HB GLU 28 HB2 GLU 28 -5.849 0.341 -10.195 221 1HG GLU 28 HG2 GLU 28 -3.712 0.445 -11.480 222 2HG GLU 28 HG1 GLU 28 -3.109 -0.864 -10.462 223 H ARG 29 HN ARG 29 -3.674 0.328 -6.662 224 HA ARG 29 HA ARG 29 -6.244 0.913 -5.424 225 1HB ARG 29 HB2 ARG 29 -5.778 -0.704 -3.898 226 2HB ARG 29 HB1 ARG 29 -4.764 -1.268 -5.215 227 1HG ARG 29 HG1 ARG 29 -2.815 -0.664 -4.160 228 2HG ARG 29 HG2 ARG 29 -3.609 0.556 -3.157 229 1HD ARG 29 HD2 ARG 29 -2.864 -1.623 -2.023 230 2HD ARG 29 HD1 ARG 29 -4.503 -1.048 -1.711 231 HE ARG 29 HE ARG 29 -5.312 -2.915 -2.753 232 1HH1 ARG 29 HH12 ARG 29 -1.945 -2.541 -3.562 233 2HH1 ARG 29 HH11 ARG 29 -1.834 -4.074 -4.360 234 1HH2 ARG 29 HH21 ARG 29 -5.178 -4.932 -3.799 235 2HH2 ARG 29 HH22 ARG 29 -3.673 -5.435 -4.495 236 H ILE 30 HN ILE 30 -3.216 2.360 -5.735 237 HA ILE 30 HA ILE 30 -2.845 3.596 -3.247 238 HB ILE 30 HB ILE 30 -2.058 4.382 -6.040 239 1HG1 ILE 30 HG11 ILE 30 -0.973 2.452 -4.798 240 2HG1 ILE 30 HG12 ILE 30 0.121 3.692 -5.398 241 1HG2 ILE 30 HG21 ILE 30 -2.274 6.172 -3.848 242 2HG2 ILE 30 HG22 ILE 30 -1.608 6.471 -5.454 243 3HG2 ILE 30 HG23 ILE 30 -0.558 5.891 -4.158 244 1HD1 ILE 30 HD11 ILE 30 0.621 4.458 -3.290 245 2HD1 ILE 30 HD12 ILE 30 0.414 2.730 -3.005 246 3HD1 ILE 30 HD13 ILE 30 -0.884 3.852 -2.597 247 HA PRO 31 HA PRO 31 -6.218 6.465 -2.828 248 1HB PRO 31 HB2 PRO 31 -4.722 8.564 -1.751 249 2HB PRO 31 HB1 PRO 31 -5.496 7.271 -0.836 250 1HG PRO 31 HG2 PRO 31 -2.660 7.530 -1.730 251 2HG PRO 31 HG1 PRO 31 -3.307 6.878 -0.211 252 1HD PRO 31 HD1 PRO 31 -2.425 5.249 -2.126 253 2HD PRO 31 HD2 PRO 31 -3.880 4.846 -1.189 254 H GLU 32 HN GLU 32 -6.958 7.290 -4.676 255 HA GLU 32 HA GLU 32 -5.458 8.497 -6.695 256 1HB GLU 32 HB1 GLU 32 -8.367 8.393 -6.021 257 2HB GLU 32 HB2 GLU 32 -7.829 9.494 -7.282 258 1HG GLU 32 HG2 GLU 32 -6.569 7.210 -8.013 259 2HG GLU 32 HG1 GLU 32 -8.045 6.573 -7.289 260 H GLY 33 HN GLY 33 -5.936 9.757 -3.690 261 1HA GLY 33 HA1 GLY 33 -6.443 12.495 -4.444 262 2HA GLY 33 HA2 GLY 33 -6.086 11.905 -2.829 263 H THR 34 HN THR 34 -3.616 10.588 -3.533 264 HA THR 34 HA THR 34 -1.947 12.885 -4.303 265 HB THR 34 HB THR 34 -0.797 11.093 -2.268 266 HG1 THR 34 HG1 THR 34 -2.170 11.489 -0.725 267 1HG2 THR 34 HG21 THR 34 0.335 12.912 -1.579 268 2HG2 THR 34 HG22 THR 34 -1.029 13.999 -1.843 269 3HG2 THR 34 HG23 THR 34 -0.048 13.467 -3.209 270 H GLU 35 HN GLU 35 0.406 11.084 -3.532 271 HA GLU 35 HA GLU 35 0.276 9.189 -5.774 272 1HB GLU 35 HB1 GLU 35 2.391 11.282 -5.272 273 2HB GLU 35 HB2 GLU 35 2.674 9.880 -6.295 274 1HG GLU 35 HG1 GLU 35 0.394 10.791 -7.383 275 2HG GLU 35 HG2 GLU 35 1.082 12.304 -6.795 276 H LEU 36 HN LEU 36 2.151 7.654 -5.748 277 HA LEU 36 HA LEU 36 2.331 6.479 -3.154 278 1HB LEU 36 HB1 LEU 36 3.900 4.865 -4.405 279 2HB LEU 36 HB2 LEU 36 2.206 4.907 -4.852 280 HG LEU 36 HG LEU 36 3.502 6.775 -6.522 281 1HD1 LEU 36 HD11 LEU 36 5.196 4.473 -5.849 282 2HD1 LEU 36 HD12 LEU 36 5.623 6.037 -6.542 283 3HD1 LEU 36 HD13 LEU 36 4.973 4.764 -7.574 284 1HD2 LEU 36 HD21 LEU 36 1.721 4.614 -6.689 285 2HD2 LEU 36 HD22 LEU 36 3.025 4.266 -7.824 286 3HD2 LEU 36 HD23 LEU 36 2.127 5.779 -7.948 287 H HIS 37 HN HIS 37 4.663 5.482 -2.660 288 HA HIS 37 HA HIS 37 6.633 7.666 -2.707 289 1HB HIS 37 HB1 HIS 37 5.513 7.628 -0.522 290 2HB HIS 37 HB2 HIS 37 5.898 5.926 -0.345 291 HD2 HIS 37 HD2 HIS 37 8.347 5.348 0.675 292 HE1 HIS 37 HE1 HIS 37 9.751 9.342 0.782 293 HE2 HIS 37 HE2 HIS 37 10.236 6.947 1.460 294 H LYS 38 HN LYS 38 6.594 4.492 -1.202 295 HA LYS 38 HA LYS 38 8.299 3.255 -3.133 296 1HB LYS 38 HB2 LYS 38 10.226 4.085 -2.319 297 2HB LYS 38 HB1 LYS 38 9.448 4.698 -0.871 298 1HG LYS 38 HG2 LYS 38 11.018 3.180 -0.085 299 2HG LYS 38 HG1 LYS 38 9.495 2.289 -0.040 300 1HD LYS 38 HD2 LYS 38 10.298 0.752 -1.437 301 2HD LYS 38 HD1 LYS 38 10.741 1.992 -2.609 302 1HE LYS 38 HE2 LYS 38 12.718 2.355 -0.856 303 2HE LYS 38 HE1 LYS 38 12.386 0.652 -0.540 304 1HZ LYS 38 HZ1 LYS 38 13.591 1.896 -2.851 305 2HZ LYS 38 HZ2 LYS 38 12.439 0.714 -3.219 306 3HZ LYS 38 HZ3 LYS 38 13.770 0.325 -2.249 307 H ILE 39 HN ILE 39 8.014 1.093 -3.024 308 HA ILE 39 HA ILE 39 6.309 0.094 -0.905 309 HB ILE 39 HB ILE 39 7.250 -1.512 -3.251 310 1HG1 ILE 39 HG11 ILE 39 5.136 0.637 -3.126 311 2HG1 ILE 39 HG12 ILE 39 6.433 0.450 -4.299 312 1HG2 ILE 39 HG21 ILE 39 4.814 -1.556 -1.477 313 2HG2 ILE 39 HG22 ILE 39 6.102 -2.760 -1.562 314 3HG2 ILE 39 HG23 ILE 39 5.000 -2.550 -2.923 315 1HD1 ILE 39 HD11 ILE 39 5.021 -1.849 -4.655 316 2HD1 ILE 39 HD12 ILE 39 4.845 -0.381 -5.617 317 3HD1 ILE 39 HD13 ILE 39 3.753 -0.686 -4.266 318 H ASP 40 HN ASP 40 6.676 -1.891 0.198 319 HA ASP 40 HA ASP 40 9.527 -2.525 0.575 320 1HB ASP 40 HB2 ASP 40 7.239 -2.537 2.546 321 2HB ASP 40 HB1 ASP 40 8.870 -3.077 2.913 322 H GLU 41 HN GLU 41 10.116 -4.582 0.202 323 HA GLU 41 HA GLU 41 8.055 -6.587 -0.258 324 1HB GLU 41 HB1 GLU 41 10.990 -7.181 -0.392 325 2HB GLU 41 HB2 GLU 41 9.675 -7.859 -1.340 326 1HG GLU 41 HG1 GLU 41 9.818 -6.269 -2.906 327 2HG GLU 41 HG2 GLU 41 10.079 -4.987 -1.724 328 H GLU 42 HN GLU 42 7.451 -6.450 2.073 329 HA GLU 42 HA GLU 42 9.292 -7.878 3.857 330 1HB GLU 42 HB1 GLU 42 7.382 -5.752 4.225 331 2HB GLU 42 HB2 GLU 42 6.988 -7.103 5.280 332 1HG GLU 42 HG2 GLU 42 9.679 -6.904 5.625 333 2HG GLU 42 HG1 GLU 42 9.217 -5.218 5.382 334 HA PRO 43 HA PRO 43 6.626 -11.396 3.391 335 1HB PRO 43 HB1 PRO 43 8.018 -13.127 4.908 336 2HB PRO 43 HB2 PRO 43 8.601 -12.572 3.335 337 1HG PRO 43 HG2 PRO 43 9.495 -11.823 6.062 338 2HG PRO 43 HG1 PRO 43 10.412 -11.861 4.548 339 1HD PRO 43 HD1 PRO 43 9.281 -9.587 5.806 340 2HD PRO 43 HD2 PRO 43 10.017 -9.659 4.197 341 H ILE 44 HN ILE 44 5.212 -12.726 4.565 342 HA ILE 44 HA ILE 44 4.644 -11.795 7.303 343 HB ILE 44 HB ILE 44 2.461 -12.708 5.476 344 1HG1 ILE 44 HG12 ILE 44 3.747 -11.003 4.222 345 2HG1 ILE 44 HG11 ILE 44 2.138 -10.435 4.649 346 1HG2 ILE 44 HG21 ILE 44 1.065 -11.811 7.012 347 2HG2 ILE 44 HG22 ILE 44 2.137 -10.454 7.355 348 3HG2 ILE 44 HG23 ILE 44 2.453 -12.032 8.076 349 1HD1 ILE 44 HD11 ILE 44 4.788 -9.476 5.505 350 2HD1 ILE 44 HD12 ILE 44 3.533 -9.497 6.746 351 3HD1 ILE 44 HD13 ILE 44 3.282 -8.591 5.254 352 H ALA 45 HN ALA 45 3.002 -14.242 5.361 353 HA ALA 45 HA ALA 45 2.986 -16.132 7.471 354 1HB ALA 45 HB1 ALA 45 1.290 -15.985 5.648 355 2HB ALA 45 HB2 ALA 45 1.912 -17.611 5.930 356 3HB ALA 45 HB3 ALA 45 2.485 -16.673 4.550 357 H PHE 46 HN PHE 46 3.560 -18.499 5.848 358 HA PHE 46 HA PHE 46 6.325 -18.763 6.483 359 1HB PHE 46 HB2 PHE 46 4.566 -20.618 4.862 360 2HB PHE 46 HB1 PHE 46 6.112 -21.028 5.601 361 HD1 PHE 46 HD1 PHE 46 6.291 -21.467 7.951 362 HD2 PHE 46 HD2 PHE 46 2.576 -20.305 6.234 363 HE1 PHE 46 HE1 PHE 46 5.131 -22.149 10.010 364 HE2 PHE 46 HE2 PHE 46 1.408 -20.984 8.289 365 HZ PHE 46 HZ PHE 46 2.686 -21.909 10.181 366 H GLY 47 HN GLY 47 4.527 -18.000 3.604 367 1HA GLY 47 HA1 GLY 47 7.034 -17.403 2.233 368 2HA GLY 47 HA2 GLY 47 5.988 -18.592 1.473 369 H LEU 48 HN LEU 48 4.070 -16.387 3.077 370 HA LEU 48 HA LEU 48 3.419 -15.069 0.560 371 1HB LEU 48 HB2 LEU 48 1.938 -14.753 3.157 372 2HB LEU 48 HB1 LEU 48 1.348 -14.470 1.532 373 HG LEU 48 HG LEU 48 1.739 -17.076 2.966 374 1HD1 LEU 48 HD11 LEU 48 -0.469 -15.451 2.126 375 2HD1 LEU 48 HD12 LEU 48 -0.466 -16.914 3.112 376 3HD1 LEU 48 HD13 LEU 48 -0.556 -17.035 1.354 377 1HD2 LEU 48 HD21 LEU 48 2.904 -17.260 0.791 378 2HD2 LEU 48 HD22 LEU 48 1.405 -16.803 -0.016 379 3HD2 LEU 48 HD23 LEU 48 1.486 -18.301 0.913 380 H VAL 49 HN VAL 49 4.759 -13.405 0.179 381 HA VAL 49 HA VAL 49 5.512 -11.615 2.341 382 HB VAL 49 HB VAL 49 6.381 -11.716 -0.549 383 1HG1 VAL 49 HG21 VAL 49 7.977 -10.005 -0.069 384 2HG1 VAL 49 HG22 VAL 49 7.537 -9.991 1.637 385 3HG1 VAL 49 HG23 VAL 49 6.395 -9.408 0.428 386 1HG2 VAL 49 HG11 VAL 49 8.530 -12.091 1.224 387 2HG2 VAL 49 HG12 VAL 49 7.795 -13.278 0.146 388 3HG2 VAL 49 HG13 VAL 49 7.216 -13.114 1.805 389 H ALA 50 HN ALA 50 4.690 -9.677 2.689 390 HA ALA 50 HA ALA 50 2.653 -8.649 0.862 391 1HB ALA 50 HB1 ALA 50 1.913 -7.270 2.663 392 2HB ALA 50 HB2 ALA 50 3.367 -7.620 3.601 393 3HB ALA 50 HB3 ALA 50 2.180 -8.891 3.309 394 H LEU 51 HN LEU 51 2.644 -6.457 0.203 395 HA LEU 51 HA LEU 51 5.331 -5.248 0.106 396 1HB LEU 51 HB2 LEU 51 3.063 -5.321 -1.866 397 2HB LEU 51 HB1 LEU 51 4.236 -4.021 -1.923 398 HG LEU 51 HG LEU 51 6.041 -5.670 -2.242 399 1HD1 LEU 51 HD11 LEU 51 5.438 -8.009 -2.759 400 2HD1 LEU 51 HD12 LEU 51 3.780 -7.666 -2.259 401 3HD1 LEU 51 HD13 LEU 51 5.094 -7.563 -1.087 402 1HD2 LEU 51 HD21 LEU 51 5.166 -4.723 -4.224 403 2HD2 LEU 51 HD22 LEU 51 3.728 -5.742 -4.162 404 3HD2 LEU 51 HD23 LEU 51 5.299 -6.456 -4.520 405 H ASN 52 HN ASN 52 5.542 -3.524 1.343 406 HA ASN 52 HA ASN 52 3.188 -2.082 2.263 407 1HB ASN 52 HB1 ASN 52 6.013 -1.393 3.036 408 2HB ASN 52 HB2 ASN 52 4.536 -1.228 3.977 409 1HD2 ASN 52 HD22 ASN 52 3.554 -3.865 3.423 410 2HD2 ASN 52 HD21 ASN 52 4.538 -4.965 4.320 411 H VAL 53 HN VAL 53 2.542 -0.952 0.505 412 HA VAL 53 HA VAL 53 4.373 0.758 -0.927 413 HB VAL 53 HB VAL 53 1.384 0.745 -1.231 414 1HG1 VAL 53 HG21 VAL 53 1.846 1.436 -3.483 415 2HG1 VAL 53 HG22 VAL 53 3.577 1.188 -3.251 416 3HG1 VAL 53 HG23 VAL 53 2.747 2.480 -2.383 417 1HG2 VAL 53 HG11 VAL 53 3.256 -1.119 -2.666 418 2HG2 VAL 53 HG12 VAL 53 1.494 -1.090 -2.729 419 3HG2 VAL 53 HG13 VAL 53 2.315 -1.587 -1.250 420 H MET 54 HN MET 54 5.019 2.510 0.146 421 HA MET 54 HA MET 54 3.219 3.999 1.848 422 1HB MET 54 HB1 MET 54 6.121 4.248 1.102 423 2HB MET 54 HB2 MET 54 5.299 5.557 1.941 424 1HG MET 54 HG1 MET 54 5.730 4.542 3.852 425 2HG MET 54 HG2 MET 54 4.667 3.226 3.355 426 1HE MET 54 HE1 MET 54 7.884 1.938 5.113 427 2HE MET 54 HE2 MET 54 6.495 0.963 4.635 428 3HE MET 54 HE3 MET 54 6.251 2.572 5.315 429 H VAL 55 HN VAL 55 3.126 6.422 1.589 430 HA VAL 55 HA VAL 55 3.080 7.240 -1.224 431 HB VAL 55 HB VAL 55 0.864 8.019 -1.189 432 1HG1 VAL 55 HG11 VAL 55 0.966 5.368 0.232 433 2HG1 VAL 55 HG12 VAL 55 0.931 5.645 -1.510 434 3HG1 VAL 55 HG13 VAL 55 -0.480 6.036 -0.527 435 1HG2 VAL 55 HG21 VAL 55 0.862 9.058 1.010 436 2HG2 VAL 55 HG22 VAL 55 0.800 7.470 1.774 437 3HG2 VAL 55 HG23 VAL 55 -0.561 8.038 0.806 438 H VAL 56 HN VAL 56 3.554 9.365 -1.581 439 HA VAL 56 HA VAL 56 4.457 10.882 0.747 440 HB VAL 56 HB VAL 56 4.786 11.878 -2.054 441 1HG1 VAL 56 HG11 VAL 56 7.137 12.218 -0.703 442 2HG1 VAL 56 HG12 VAL 56 5.943 12.347 0.589 443 3HG1 VAL 56 HG13 VAL 56 5.844 13.413 -0.814 444 1HG2 VAL 56 HG21 VAL 56 7.083 10.375 -1.415 445 2HG2 VAL 56 HG22 VAL 56 5.940 10.108 -2.732 446 3HG2 VAL 56 HG23 VAL 56 5.693 9.316 -1.176 447 H VAL 57 HN VAL 57 2.888 12.047 1.682 448 HA VAL 57 HA VAL 57 1.274 13.786 -0.057 449 HB VAL 57 HB VAL 57 -0.688 13.474 1.181 450 1HG1 VAL 57 HG21 VAL 57 0.271 11.467 -0.223 451 2HG1 VAL 57 HG22 VAL 57 -1.227 11.305 0.695 452 3HG1 VAL 57 HG23 VAL 57 0.282 10.667 1.348 453 1HG2 VAL 57 HG11 VAL 57 1.117 12.813 3.332 454 2HG2 VAL 57 HG12 VAL 57 -0.194 11.638 3.216 455 3HG2 VAL 57 HG13 VAL 57 -0.561 13.355 3.397 456 H GLY 58 HN GLY 58 0.574 15.779 0.924 457 1HA GLY 58 HA2 GLY 58 1.397 16.649 3.466 458 2HA GLY 58 HA1 GLY 58 2.615 17.124 2.291 459 H ASP 59 HN ASP 59 1.776 18.311 0.353 460 HA ASP 59 HA ASP 59 0.031 20.434 1.247 461 1HB ASP 59 HB1 ASP 59 1.866 19.985 -1.047 462 2HB ASP 59 HB2 ASP 59 0.515 21.080 -1.320 463 H ALA 60 HN ALA 60 -0.550 17.458 0.114 464 HA ALA 60 HA ALA 60 -2.458 17.864 -1.940 465 1HB ALA 60 HB1 ALA 60 -3.027 15.562 -1.651 466 2HB ALA 60 HB2 ALA 60 -2.321 15.534 -0.035 467 3HB ALA 60 HB3 ALA 60 -1.282 15.716 -1.448 468 H GLU 61 HN GLU 61 -4.502 16.102 -0.619 469 HA GLU 61 HA GLU 61 -5.683 17.858 1.374 470 1HB GLU 61 HB1 GLU 61 -7.883 17.562 -0.110 471 2HB GLU 61 HB2 GLU 61 -6.801 18.936 -0.300 472 1HG GLU 61 HG1 GLU 61 -5.632 17.334 -2.036 473 2HG GLU 61 HG2 GLU 61 -7.230 16.590 -2.069 474 H GLY 62 HN GLY 62 -8.237 16.794 1.382 475 1HA GLY 62 HA1 GLY 62 -7.729 14.204 2.571 476 2HA GLY 62 HA2 GLY 62 -9.264 15.063 2.549 477 H GLY 63 HN GLY 63 -7.765 14.924 -0.475 478 1HA GLY 63 HA2 GLY 63 -9.855 13.351 -1.595 479 2HA GLY 63 HA1 GLY 63 -8.422 13.917 -2.436 480 H THR 64 HN THR 64 -7.204 12.386 0.151 481 HA THR 64 HA THR 64 -6.471 10.070 -1.375 482 HB THR 64 HB THR 64 -4.950 9.588 0.303 483 HG1 THR 64 HG1 THR 64 -5.278 10.021 2.447 484 1HG2 THR 64 HG21 THR 64 -4.522 11.992 1.477 485 2HG2 THR 64 HG22 THR 64 -5.402 12.462 0.022 486 3HG2 THR 64 HG23 THR 64 -3.918 11.518 -0.111 487 H GLU 65 HN GLU 65 -9.189 10.869 0.262 488 HA GLU 65 HA GLU 65 -9.892 8.630 1.779 489 1HB GLU 65 HB2 GLU 65 -12.241 9.289 1.220 490 2HB GLU 65 HB1 GLU 65 -11.254 10.606 1.834 491 1HG GLU 65 HG2 GLU 65 -11.946 11.782 0.092 492 2HG GLU 65 HG1 GLU 65 -10.910 10.753 -0.897 493 H ALA 66 HN ALA 66 -9.585 9.109 -1.592 494 HA ALA 66 HA ALA 66 -11.262 7.183 -2.668 495 1HB ALA 66 HB1 ALA 66 -8.570 8.160 -3.598 496 2HB ALA 66 HB2 ALA 66 -10.163 8.694 -4.135 497 3HB ALA 66 HB3 ALA 66 -9.590 7.076 -4.546 498 H ALA 67 HN ALA 67 -8.195 6.820 -1.039 499 HA ALA 67 HA ALA 67 -7.559 4.208 -1.835 500 1HB ALA 67 HB1 ALA 67 -6.667 4.406 0.779 501 2HB ALA 67 HB2 ALA 67 -6.684 6.075 0.203 502 3HB ALA 67 HB3 ALA 67 -5.767 4.849 -0.673 503 H GLU 68 HN GLU 68 -9.187 5.322 1.134 504 HA GLU 68 HA GLU 68 -9.876 2.794 2.102 505 1HB GLU 68 HB1 GLU 68 -11.290 5.443 2.475 506 2HB GLU 68 HB2 GLU 68 -11.606 3.999 3.428 507 1HG GLU 68 HG2 GLU 68 -8.891 4.293 3.665 508 2HG GLU 68 HG1 GLU 68 -9.466 5.958 3.649 509 H GLU 69 HN GLU 69 -11.396 4.861 -0.278 510 HA GLU 69 HA GLU 69 -13.903 3.558 -0.414 511 1HB GLU 69 HB1 GLU 69 -12.732 5.771 -1.621 512 2HB GLU 69 HB2 GLU 69 -12.971 4.646 -2.952 513 1HG GLU 69 HG2 GLU 69 -15.102 5.204 -3.050 514 2HG GLU 69 HG1 GLU 69 -15.333 4.648 -1.393 515 H SER 70 HN SER 70 -10.939 3.260 -2.341 516 HA SER 70 HA SER 70 -11.825 1.107 -3.949 517 1HB SER 70 HB1 SER 70 -9.682 2.747 -4.053 518 2HB SER 70 HB2 SER 70 -8.928 1.325 -3.330 519 HG SER 70 HG SER 70 -9.243 0.218 -5.129 520 H LEU 71 HN LEU 71 -10.873 1.350 -0.709 521 HA LEU 71 HA LEU 71 -9.841 -1.276 -0.302 522 1HB LEU 71 HB1 LEU 71 -10.471 1.088 1.263 523 2HB LEU 71 HB2 LEU 71 -10.949 -0.375 2.100 524 HG LEU 71 HG LEU 71 -8.168 0.094 1.021 525 1HD1 LEU 71 HD21 LEU 71 -7.947 0.225 3.712 526 2HD1 LEU 71 HD22 LEU 71 -9.496 1.028 3.460 527 3HD1 LEU 71 HD23 LEU 71 -8.051 1.628 2.645 528 1HD2 LEU 71 HD11 LEU 71 -9.365 -2.241 1.720 529 2HD2 LEU 71 HD12 LEU 71 -8.658 -1.740 3.256 530 3HD2 LEU 71 HD13 LEU 71 -7.632 -1.928 1.834 531 H SER 72 HN SER 72 -13.002 0.207 -0.231 532 HA SER 72 HA SER 72 -14.428 -1.851 1.057 533 1HB SER 72 HB1 SER 72 -15.013 0.661 0.139 534 2HB SER 72 HB2 SER 72 -15.886 -0.352 -1.014 535 HG SER 72 HG SER 72 -16.445 -1.432 1.239 536 H GLY 73 HN GLY 73 -12.875 -1.825 -1.900 537 1HA GLY 73 HA2 GLY 73 -14.120 -4.348 -2.657 538 2HA GLY 73 HA1 GLY 73 -14.234 -3.043 -3.831 539 H ILE 74 HN ILE 74 -11.530 -3.292 -1.724 540 HA ILE 74 HA ILE 74 -9.674 -3.359 -3.878 541 HB ILE 74 HB ILE 74 -9.499 -2.297 -1.504 542 1HG1 ILE 74 HG11 ILE 74 -6.890 -3.489 -2.099 543 2HG1 ILE 74 HG12 ILE 74 -7.696 -2.803 -3.508 544 1HG2 ILE 74 HG21 ILE 74 -9.754 -4.625 -0.457 545 2HG2 ILE 74 HG22 ILE 74 -8.551 -3.524 0.215 546 3HG2 ILE 74 HG23 ILE 74 -8.049 -4.831 -0.859 547 1HD1 ILE 74 HD11 ILE 74 -6.211 -1.456 -1.575 548 2HD1 ILE 74 HD12 ILE 74 -7.891 -1.010 -1.279 549 3HD1 ILE 74 HD13 ILE 74 -7.178 -0.753 -2.872 550 H GLU 75 HN GLU 75 -7.615 -4.983 -2.980 551 HA GLU 75 HA GLU 75 -8.126 -7.417 -4.163 552 1HB GLU 75 HB2 GLU 75 -5.971 -6.202 -2.692 553 2HB GLU 75 HB1 GLU 75 -6.147 -7.883 -2.201 554 1HG GLU 75 HG1 GLU 75 -5.720 -6.848 -4.992 555 2HG GLU 75 HG2 GLU 75 -4.568 -7.739 -3.998 556 H GLY 76 HN GLY 76 -9.837 -8.620 -3.563 557 1HA GLY 76 HA1 GLY 76 -10.796 -8.940 -0.940 558 2HA GLY 76 HA2 GLY 76 -11.179 -9.984 -2.300 559 H VAL 77 HN VAL 77 -8.434 -10.778 -2.779 560 HA VAL 77 HA VAL 77 -8.259 -12.842 -0.744 561 HB VAL 77 HB VAL 77 -6.404 -12.453 -3.090 562 1HG1 VAL 77 HG21 VAL 77 -7.179 -14.909 -1.515 563 2HG1 VAL 77 HG22 VAL 77 -5.666 -14.017 -1.354 564 3HG1 VAL 77 HG23 VAL 77 -6.041 -14.853 -2.860 565 1HG2 VAL 77 HG11 VAL 77 -8.593 -12.507 -4.036 566 2HG2 VAL 77 HG12 VAL 77 -9.072 -13.849 -2.998 567 3HG2 VAL 77 HG13 VAL 77 -7.875 -14.101 -4.269 568 H SER 78 HN SER 78 -6.382 -10.121 -1.937 569 HA SER 78 HA SER 78 -4.370 -10.519 0.131 570 1HB SER 78 HB1 SER 78 -3.559 -10.028 -2.135 571 2HB SER 78 HB2 SER 78 -4.492 -8.534 -2.152 572 HG SER 78 HG SER 78 -2.054 -9.013 -1.095 573 H ASN 79 HN ASN 79 -5.448 -9.898 2.013 574 HA ASN 79 HA ASN 79 -6.788 -7.328 2.117 575 1HB ASN 79 HB2 ASN 79 -7.276 -9.452 3.605 576 2HB ASN 79 HB1 ASN 79 -5.998 -8.775 4.610 577 1HD2 ASN 79 HD21 ASN 79 -6.459 -6.043 4.427 578 2HD2 ASN 79 HD22 ASN 79 -8.011 -5.686 5.092 579 H ILE 80 HN ILE 80 -5.938 -5.482 2.729 580 HA ILE 80 HA ILE 80 -3.067 -5.468 3.182 581 HB ILE 80 HB ILE 80 -4.873 -3.139 2.596 582 1HG1 ILE 80 HG11 ILE 80 -3.503 -3.709 0.268 583 2HG1 ILE 80 HG12 ILE 80 -3.952 -5.304 0.863 584 1HG2 ILE 80 HG21 ILE 80 -3.043 -1.930 2.805 585 2HG2 ILE 80 HG22 ILE 80 -2.256 -2.886 1.551 586 3HG2 ILE 80 HG23 ILE 80 -2.137 -3.378 3.239 587 1HD1 ILE 80 HD11 ILE 80 -5.869 -3.028 0.444 588 2HD1 ILE 80 HD12 ILE 80 -6.273 -4.682 0.905 589 3HD1 ILE 80 HD13 ILE 80 -5.597 -4.352 -0.690 590 H GLU 81 HN GLU 81 -2.078 -4.271 4.770 591 HA GLU 81 HA GLU 81 -3.638 -3.783 7.179 592 1HB GLU 81 HB2 GLU 81 -1.378 -4.945 7.238 593 2HB GLU 81 HB1 GLU 81 -0.662 -3.410 6.768 594 1HG GLU 81 HG1 GLU 81 -0.514 -2.922 8.919 595 2HG GLU 81 HG2 GLU 81 -2.273 -2.792 8.942 596 H VAL 82 HN VAL 82 -4.762 -2.181 5.837 597 HA VAL 82 HA VAL 82 -3.365 0.168 4.996 598 HB VAL 82 HB VAL 82 -6.338 -0.393 5.135 599 1HG1 VAL 82 HG21 VAL 82 -6.295 1.881 4.800 600 2HG1 VAL 82 HG22 VAL 82 -6.121 1.339 3.128 601 3HG1 VAL 82 HG23 VAL 82 -4.700 1.850 4.048 602 1HG2 VAL 82 HG11 VAL 82 -4.249 -1.016 3.099 603 2HG2 VAL 82 HG12 VAL 82 -5.905 -0.681 2.592 604 3HG2 VAL 82 HG13 VAL 82 -5.576 -2.016 3.701 605 H THR 83 HN THR 83 -2.759 0.031 7.553 606 HA THR 83 HA THR 83 -4.313 2.210 8.750 607 HB THR 83 HB THR 83 -3.175 0.042 10.486 608 HG1 THR 83 HG1 THR 83 -5.864 -0.010 9.692 609 1HG2 THR 83 HG21 THR 83 -4.292 2.381 11.167 610 2HG2 THR 83 HG22 THR 83 -4.367 0.926 12.161 611 3HG2 THR 83 HG23 THR 83 -5.723 1.353 11.117 612 H ASP 84 HN ASP 84 -1.453 1.490 7.457 613 HA ASP 84 HA ASP 84 0.245 2.415 9.622 614 1HB ASP 84 HB2 ASP 84 0.853 1.629 6.772 615 2HB ASP 84 HB1 ASP 84 2.070 2.141 7.937 616 H VAL 85 HN VAL 85 1.167 4.372 9.807 617 HA VAL 85 HA VAL 85 0.934 6.327 7.663 618 HB VAL 85 HB VAL 85 -1.136 6.422 9.179 619 1HG1 VAL 85 HG11 VAL 85 0.282 6.227 11.279 620 2HG1 VAL 85 HG12 VAL 85 -0.982 7.458 11.285 621 3HG1 VAL 85 HG13 VAL 85 0.699 7.922 11.025 622 1HG2 VAL 85 HG21 VAL 85 -0.807 8.187 7.672 623 2HG2 VAL 85 HG22 VAL 85 0.609 8.780 8.540 624 3HG2 VAL 85 HG23 VAL 85 -0.999 8.972 9.239 625 H ARG 86 HN ARG 86 2.320 8.130 7.897 626 HA ARG 86 HA ARG 86 4.145 8.203 10.162 627 1HB ARG 86 HB1 ARG 86 5.017 7.634 7.333 628 2HB ARG 86 HB2 ARG 86 6.112 8.267 8.553 629 1HG ARG 86 HG2 ARG 86 4.952 6.101 9.794 630 2HG ARG 86 HG1 ARG 86 5.166 5.575 8.124 631 1HD ARG 86 HD2 ARG 86 7.514 6.250 8.215 632 2HD ARG 86 HD1 ARG 86 7.293 6.772 9.887 633 HE ARG 86 HE ARG 86 6.587 4.256 10.132 634 1HH1 ARG 86 HH22 ARG 86 9.209 5.586 8.262 635 2HH1 ARG 86 HH21 ARG 86 10.201 4.175 8.412 636 1HH2 ARG 86 HH12 ARG 86 7.887 2.395 10.334 637 2HH2 ARG 86 HH11 ARG 86 9.450 2.362 9.590 638 H ARG 87 HN ARG 87 2.942 10.198 10.385 639 HA ARG 87 HA ARG 87 3.276 12.238 8.403 640 1HB ARG 87 HB2 ARG 87 2.361 13.640 10.493 641 2HB ARG 87 HB1 ARG 87 1.327 12.749 9.384 642 1HG ARG 87 HG1 ARG 87 0.815 12.383 11.772 643 2HG ARG 87 HG2 ARG 87 1.184 10.905 10.888 644 1HD ARG 87 HD1 ARG 87 3.303 10.732 11.830 645 2HD ARG 87 HD2 ARG 87 3.301 12.405 12.368 646 HE ARG 87 HE ARG 87 1.283 11.376 13.802 647 1HH1 ARG 87 HH11 ARG 87 4.527 10.235 13.235 648 2HH1 ARG 87 HH12 ARG 87 4.649 9.430 14.764 649 1HH2 ARG 87 HH21 ARG 87 1.437 10.318 15.817 650 2HH2 ARG 87 HH22 ARG 87 2.893 9.477 16.231 651 H LEU 88 HN LEU 88 5.596 12.239 8.274 652 HA LEU 88 HA LEU 88 7.088 13.180 10.562 653 1HB LEU 88 HB1 LEU 88 8.567 13.503 8.145 654 2HB LEU 88 HB2 LEU 88 8.854 12.405 9.477 655 HG LEU 88 HG LEU 88 6.941 11.784 7.238 656 1HD1 LEU 88 HD11 LEU 88 8.635 11.312 5.886 657 2HD1 LEU 88 HD12 LEU 88 9.380 10.293 7.119 658 3HD1 LEU 88 HD13 LEU 88 9.740 12.022 7.066 659 1HD2 LEU 88 HD21 LEU 88 6.636 9.802 8.234 660 2HD2 LEU 88 HD22 LEU 88 7.211 10.642 9.680 661 3HD2 LEU 88 HD23 LEU 88 8.330 9.669 8.718 662 H MET 89 HN MET 89 6.315 15.209 11.087 663 HA MET 89 HA MET 89 6.267 17.261 9.009 664 1HB MET 89 HB2 MET 89 4.942 16.863 11.586 665 2HB MET 89 HB1 MET 89 5.549 18.499 11.369 666 1HG MET 89 HG1 MET 89 4.147 18.936 9.608 667 2HG MET 89 HG2 MET 89 3.978 17.233 9.181 668 1HE MET 89 HE1 MET 89 1.311 16.423 9.429 669 2HE MET 89 HE2 MET 89 1.146 15.898 11.104 670 3HE MET 89 HE3 MET 89 2.645 15.589 10.227 Start of MODEL 14 1 1H MET 1 HT1 MET 1 13.158 14.190 4.514 2 2H MET 1 HT2 MET 1 13.901 15.130 5.742 3 3H MET 1 HT3 MET 1 12.861 15.878 4.601 4 HA MET 1 HA MET 1 11.211 14.105 5.526 5 1HB MET 1 HB1 MET 1 13.442 13.796 7.158 6 2HB MET 1 HB2 MET 1 12.341 14.764 8.129 7 1HG MET 1 HG1 MET 1 11.494 12.793 8.740 8 2HG MET 1 HG2 MET 1 10.664 12.857 7.186 9 1HE MET 1 HE1 MET 1 13.592 11.855 9.182 10 2HE MET 1 HE2 MET 1 14.715 11.698 7.832 11 3HE MET 1 HE3 MET 1 14.047 10.256 8.596 12 H GLY 2 HN GLY 2 9.463 15.256 5.733 13 1HA GLY 2 HA1 GLY 2 8.986 17.348 7.496 14 2HA GLY 2 HA2 GLY 2 9.471 18.084 5.974 15 H ASP 3 HN ASP 3 8.227 15.430 4.848 16 HA ASP 3 HA ASP 3 5.580 16.605 4.430 17 1HB ASP 3 HB1 ASP 3 7.363 14.832 2.873 18 2HB ASP 3 HB2 ASP 3 5.642 14.478 2.750 19 H VAL 4 HN VAL 4 3.837 14.833 4.010 20 HA VAL 4 HA VAL 4 3.825 13.050 6.349 21 HB VAL 4 HB VAL 4 1.305 13.376 4.868 22 1HG1 VAL 4 HG21 VAL 4 2.264 12.946 7.597 23 2HG1 VAL 4 HG22 VAL 4 0.793 12.378 6.806 24 3HG1 VAL 4 HG23 VAL 4 0.857 14.004 7.487 25 1HG2 VAL 4 HG11 VAL 4 2.833 15.714 5.606 26 2HG2 VAL 4 HG12 VAL 4 1.305 15.642 6.485 27 3HG2 VAL 4 HG13 VAL 4 1.311 15.597 4.722 28 H VAL 5 HN VAL 5 3.777 10.876 6.068 29 HA VAL 5 HA VAL 5 3.261 9.861 3.347 30 HB VAL 5 HB VAL 5 5.484 9.081 5.230 31 1HG1 VAL 5 HG11 VAL 5 4.865 6.973 4.569 32 2HG1 VAL 5 HG12 VAL 5 5.971 7.416 3.269 33 3HG1 VAL 5 HG13 VAL 5 4.229 7.527 3.018 34 1HG2 VAL 5 HG21 VAL 5 6.086 10.903 3.832 35 2HG2 VAL 5 HG22 VAL 5 5.381 10.133 2.411 36 3HG2 VAL 5 HG23 VAL 5 6.840 9.465 3.145 37 H ALA 6 HN ALA 6 1.803 8.269 3.223 38 HA ALA 6 HA ALA 6 0.914 6.974 5.711 39 1HB ALA 6 HB1 ALA 6 -0.536 8.083 3.612 40 2HB ALA 6 HB2 ALA 6 -1.162 7.065 4.911 41 3HB ALA 6 HB3 ALA 6 -0.673 6.340 3.379 42 H THR 7 HN THR 7 0.289 4.577 5.405 43 HA THR 7 HA THR 7 1.954 3.267 3.401 44 HB THR 7 HB THR 7 2.168 2.473 6.292 45 HG1 THR 7 HG1 THR 7 3.672 3.899 6.517 46 1HG2 THR 7 HG21 THR 7 3.708 1.707 3.831 47 2HG2 THR 7 HG22 THR 7 2.762 0.659 4.894 48 3HG2 THR 7 HG23 THR 7 4.260 1.384 5.478 49 H ILE 8 HN ILE 8 1.129 1.544 2.555 50 HA ILE 8 HA ILE 8 -1.200 0.240 3.813 51 HB ILE 8 HB ILE 8 -0.749 0.589 0.853 52 1HG1 ILE 8 HG12 ILE 8 -0.972 2.782 2.152 53 2HG1 ILE 8 HG11 ILE 8 -2.108 2.524 0.833 54 1HG2 ILE 8 HG21 ILE 8 -2.958 -0.437 2.553 55 2HG2 ILE 8 HG22 ILE 8 -2.266 -1.099 1.071 56 3HG2 ILE 8 HG23 ILE 8 -3.332 0.306 0.996 57 1HD1 ILE 8 HD11 ILE 8 -2.892 3.435 3.164 58 2HD1 ILE 8 HD12 ILE 8 -2.928 1.719 3.570 59 3HD1 ILE 8 HD13 ILE 8 -3.898 2.329 2.228 60 H LYS 9 HN LYS 9 -0.521 -1.762 4.444 61 HA LYS 9 HA LYS 9 1.498 -3.172 2.854 62 1HB LYS 9 HB1 LYS 9 0.614 -4.426 5.346 63 2HB LYS 9 HB2 LYS 9 2.236 -4.100 4.754 64 1HG LYS 9 HG2 LYS 9 0.861 -1.665 5.509 65 2HG LYS 9 HG1 LYS 9 0.934 -2.820 6.836 66 1HD LYS 9 HD2 LYS 9 3.386 -2.266 5.239 67 2HD LYS 9 HD1 LYS 9 2.862 -1.124 6.477 68 1HE LYS 9 HE1 LYS 9 3.295 -2.558 8.193 69 2HE LYS 9 HE2 LYS 9 2.969 -3.992 7.219 70 1HZ LYS 9 HZ1 LYS 9 5.081 -3.955 6.313 71 2HZ LYS 9 HZ2 LYS 9 5.372 -3.488 7.912 72 3HZ LYS 9 HZ3 LYS 9 5.342 -2.326 6.684 73 H VAL 10 HN VAL 10 0.380 -4.109 1.194 74 HA VAL 10 HA VAL 10 -2.008 -5.663 1.776 75 HB VAL 10 HB VAL 10 -2.667 -5.191 -0.294 76 1HG1 VAL 10 HG21 VAL 10 -0.884 -3.233 0.437 77 2HG1 VAL 10 HG22 VAL 10 -2.031 -3.142 -0.901 78 3HG1 VAL 10 HG23 VAL 10 -0.369 -3.648 -1.199 79 1HG2 VAL 10 HG11 VAL 10 -1.518 -5.776 -2.300 80 2HG2 VAL 10 HG12 VAL 10 -1.244 -7.062 -1.125 81 3HG2 VAL 10 HG13 VAL 10 0.026 -5.881 -1.452 82 H MET 11 HN MET 11 -2.228 -7.854 1.633 83 HA MET 11 HA MET 11 -0.051 -9.444 0.561 84 1HB MET 11 HB2 MET 11 0.877 -9.995 2.507 85 2HB MET 11 HB1 MET 11 -0.277 -8.976 3.354 86 1HG MET 11 HG1 MET 11 -1.086 -10.777 4.335 87 2HG MET 11 HG2 MET 11 -1.636 -11.360 2.768 88 1HE MET 11 HE1 MET 11 -0.129 -14.657 4.029 89 2HE MET 11 HE2 MET 11 -1.467 -13.882 3.177 90 3HE MET 11 HE3 MET 11 -1.161 -13.501 4.873 91 HA PRO 12 HA PRO 12 -3.697 -11.700 -0.781 92 1HB PRO 12 HB1 PRO 12 -1.675 -13.431 -2.067 93 2HB PRO 12 HB2 PRO 12 -2.985 -12.499 -2.797 94 1HG PRO 12 HG1 PRO 12 -0.444 -11.748 -3.093 95 2HG PRO 12 HG2 PRO 12 -1.732 -10.547 -2.874 96 1HD PRO 12 HD2 PRO 12 0.194 -11.642 -0.836 97 2HD PRO 12 HD1 PRO 12 -0.254 -9.951 -1.155 98 H GLU 13 HN GLU 13 -4.696 -13.129 0.448 99 HA GLU 13 HA GLU 13 -3.533 -14.663 2.455 100 1HB GLU 13 HB1 GLU 13 -6.198 -14.615 1.121 101 2HB GLU 13 HB2 GLU 13 -5.812 -15.993 2.143 102 1HG GLU 13 HG1 GLU 13 -5.331 -13.278 3.235 103 2HG GLU 13 HG2 GLU 13 -7.000 -13.830 3.081 104 H SER 14 HN SER 14 -4.091 -15.386 -0.909 105 HA SER 14 HA SER 14 -3.673 -18.217 -0.635 106 1HB SER 14 HB2 SER 14 -3.477 -16.627 -3.195 107 2HB SER 14 HB1 SER 14 -3.915 -18.325 -2.999 108 HG SER 14 HG SER 14 -5.886 -17.619 -2.959 109 HA PRO 15 HA PRO 15 0.751 -18.316 -0.737 110 1HB PRO 15 HB2 PRO 15 1.168 -20.644 -2.095 111 2HB PRO 15 HB1 PRO 15 0.660 -20.585 -0.403 112 1HG PRO 15 HG2 PRO 15 -0.992 -21.010 -2.866 113 2HG PRO 15 HG1 PRO 15 -1.069 -21.855 -1.309 114 1HD PRO 15 HD2 PRO 15 -2.817 -19.914 -1.968 115 2HD PRO 15 HD1 PRO 15 -2.258 -20.146 -0.299 116 H ASP 16 HN ASP 16 -1.187 -17.954 -3.444 117 HA ASP 16 HA ASP 16 1.029 -17.817 -5.346 118 1HB ASP 16 HB1 ASP 16 -0.840 -17.325 -6.996 119 2HB ASP 16 HB2 ASP 16 -0.876 -18.921 -6.253 120 H VAL 17 HN VAL 17 0.994 -15.949 -3.226 121 HA VAL 17 HA VAL 17 -0.131 -13.481 -4.018 122 HB VAL 17 HB VAL 17 0.239 -13.189 -1.855 123 1HG1 VAL 17 HG11 VAL 17 2.458 -14.413 -0.876 124 2HG1 VAL 17 HG12 VAL 17 1.985 -15.482 -2.196 125 3HG1 VAL 17 HG13 VAL 17 0.830 -15.094 -0.918 126 1HG2 VAL 17 HG21 VAL 17 1.800 -11.537 -2.826 127 2HG2 VAL 17 HG22 VAL 17 3.117 -12.683 -2.572 128 3HG2 VAL 17 HG23 VAL 17 2.230 -12.040 -1.189 129 H ASP 18 HN ASP 18 0.414 -13.092 -6.109 130 HA ASP 18 HA ASP 18 3.089 -13.127 -7.126 131 1HB ASP 18 HB1 ASP 18 0.618 -11.771 -8.225 132 2HB ASP 18 HB2 ASP 18 2.126 -12.032 -9.100 133 H LEU 19 HN LEU 19 4.519 -11.835 -6.205 134 HA LEU 19 HA LEU 19 3.968 -9.404 -4.942 135 1HB LEU 19 HB1 LEU 19 6.112 -11.061 -5.084 136 2HB LEU 19 HB2 LEU 19 6.665 -9.746 -6.103 137 HG LEU 19 HG LEU 19 5.532 -9.013 -3.461 138 1HD1 LEU 19 HD21 LEU 19 8.074 -9.369 -2.722 139 2HD1 LEU 19 HD22 LEU 19 7.906 -10.730 -3.831 140 3HD1 LEU 19 HD23 LEU 19 6.817 -10.576 -2.452 141 1HD2 LEU 19 HD11 LEU 19 7.423 -7.401 -3.571 142 2HD2 LEU 19 HD12 LEU 19 6.284 -7.262 -4.911 143 3HD2 LEU 19 HD13 LEU 19 7.836 -8.065 -5.152 144 H GLU 20 HN GLU 20 5.448 -9.986 -8.138 145 HA GLU 20 HA GLU 20 5.574 -7.226 -8.769 146 1HB GLU 20 HB2 GLU 20 6.249 -7.892 -10.960 147 2HB GLU 20 HB1 GLU 20 7.040 -8.926 -9.781 148 1HG GLU 20 HG2 GLU 20 4.470 -9.851 -10.916 149 2HG GLU 20 HG1 GLU 20 5.879 -9.849 -11.970 150 H ALA 21 HN ALA 21 3.169 -9.717 -9.348 151 HA ALA 21 HA ALA 21 1.630 -8.160 -11.188 152 1HB ALA 21 HB1 ALA 21 0.035 -10.021 -9.667 153 2HB ALA 21 HB2 ALA 21 1.519 -10.776 -10.248 154 3HB ALA 21 HB3 ALA 21 0.413 -10.011 -11.390 155 H LEU 22 HN LEU 22 1.816 -8.549 -7.741 156 HA LEU 22 HA LEU 22 -0.502 -7.036 -7.063 157 1HB LEU 22 HB2 LEU 22 1.090 -8.636 -5.629 158 2HB LEU 22 HB1 LEU 22 1.879 -7.117 -5.266 159 HG LEU 22 HG LEU 22 0.235 -6.437 -3.875 160 1HD1 LEU 22 HD21 LEU 22 -1.702 -7.737 -5.766 161 2HD1 LEU 22 HD22 LEU 22 -1.489 -6.022 -5.421 162 3HD1 LEU 22 HD23 LEU 22 -2.200 -7.085 -4.203 163 1HD2 LEU 22 HD11 LEU 22 0.727 -8.451 -2.826 164 2HD2 LEU 22 HD12 LEU 22 -0.124 -9.402 -4.042 165 3HD2 LEU 22 HD13 LEU 22 -1.038 -8.427 -2.887 166 H LYS 23 HN LYS 23 2.816 -6.351 -7.807 167 HA LYS 23 HA LYS 23 3.065 -3.725 -6.902 168 1HB LYS 23 HB2 LYS 23 4.447 -5.499 -8.757 169 2HB LYS 23 HB1 LYS 23 4.464 -3.835 -9.318 170 1HG LYS 23 HG2 LYS 23 6.294 -3.663 -8.059 171 2HG LYS 23 HG1 LYS 23 5.162 -3.520 -6.711 172 1HD LYS 23 HD2 LYS 23 5.509 -5.692 -6.023 173 2HD LYS 23 HD1 LYS 23 6.044 -6.221 -7.620 174 1HE LYS 23 HE2 LYS 23 7.879 -6.115 -5.969 175 2HE LYS 23 HE1 LYS 23 8.137 -5.061 -7.357 176 1HZ LYS 23 HZ1 LYS 23 7.852 -4.390 -4.584 177 2HZ LYS 23 HZ2 LYS 23 6.845 -3.466 -5.581 178 3HZ LYS 23 HZ3 LYS 23 8.515 -3.486 -5.850 179 H LYS 24 HN LYS 24 1.902 -5.008 -9.996 180 HA LYS 24 HA LYS 24 1.366 -2.494 -11.174 181 1HB LYS 24 HB1 LYS 24 -0.187 -4.968 -11.861 182 2HB LYS 24 HB2 LYS 24 0.361 -3.678 -12.922 183 1HG LYS 24 HG1 LYS 24 2.736 -4.597 -12.125 184 2HG LYS 24 HG2 LYS 24 1.788 -6.076 -11.953 185 1HD LYS 24 HD1 LYS 24 1.477 -4.507 -14.457 186 2HD LYS 24 HD2 LYS 24 2.968 -5.424 -14.236 187 1HE LYS 24 HE1 LYS 24 1.900 -7.250 -14.901 188 2HE LYS 24 HE2 LYS 24 0.869 -7.130 -13.474 189 1HZ LYS 24 HZ1 LYS 24 0.271 -6.535 -16.228 190 2HZ LYS 24 HZ2 LYS 24 -0.242 -5.335 -15.149 191 3HZ LYS 24 HZ3 LYS 24 -0.770 -6.930 -14.956 192 H GLU 25 HN GLU 25 -0.635 -4.756 -9.313 193 HA GLU 25 HA GLU 25 -3.064 -3.312 -9.641 194 1HB GLU 25 HB1 GLU 25 -2.175 -5.320 -7.566 195 2HB GLU 25 HB2 GLU 25 -3.803 -4.658 -7.637 196 1HG GLU 25 HG2 GLU 25 -3.603 -5.506 -10.151 197 2HG GLU 25 HG1 GLU 25 -2.472 -6.628 -9.393 198 H ILE 26 HN ILE 26 -0.377 -3.070 -7.476 199 HA ILE 26 HA ILE 26 -1.570 -1.598 -5.404 200 HB ILE 26 HB ILE 26 1.208 -2.120 -6.305 201 1HG1 ILE 26 HG11 ILE 26 0.434 -2.030 -3.450 202 2HG1 ILE 26 HG12 ILE 26 -0.438 -3.199 -4.437 203 1HG2 ILE 26 HG21 ILE 26 0.390 0.352 -4.893 204 2HG2 ILE 26 HG22 ILE 26 1.763 0.052 -5.960 205 3HG2 ILE 26 HG23 ILE 26 1.814 -0.494 -4.284 206 1HD1 ILE 26 HD11 ILE 26 1.456 -4.258 -3.424 207 2HD1 ILE 26 HD12 ILE 26 2.540 -3.023 -4.066 208 3HD1 ILE 26 HD13 ILE 26 1.723 -4.137 -5.163 209 H GLN 27 HN GLN 27 0.042 -0.611 -8.395 210 HA GLN 27 HA GLN 27 0.026 2.162 -7.890 211 1HB GLN 27 HB1 GLN 27 -0.045 0.715 -10.547 212 2HB GLN 27 HB2 GLN 27 0.379 2.405 -10.311 213 1HG GLN 27 HG1 GLN 27 2.019 0.842 -8.605 214 2HG GLN 27 HG2 GLN 27 2.054 0.126 -10.217 215 1HE2 GLN 27 HE22 GLN 27 3.956 1.800 -8.507 216 2HE2 GLN 27 HE21 GLN 27 4.511 3.019 -9.596 217 H GLU 28 HN GLU 28 -2.337 -0.012 -9.344 218 HA GLU 28 HA GLU 28 -4.077 2.135 -10.164 219 1HB GLU 28 HB2 GLU 28 -5.518 0.465 -11.007 220 2HB GLU 28 HB1 GLU 28 -3.888 -0.124 -11.291 221 1HG GLU 28 HG1 GLU 28 -4.041 -1.621 -9.424 222 2HG GLU 28 HG2 GLU 28 -5.615 -0.961 -8.978 223 H ARG 29 HN ARG 29 -3.583 0.331 -7.292 224 HA ARG 29 HA ARG 29 -6.240 0.891 -6.255 225 1HB ARG 29 HB2 ARG 29 -5.762 -0.588 -4.532 226 2HB ARG 29 HB1 ARG 29 -4.852 -1.263 -5.873 227 1HG ARG 29 HG1 ARG 29 -2.814 -0.591 -5.000 228 2HG ARG 29 HG2 ARG 29 -3.551 0.626 -3.953 229 1HD ARG 29 HD1 ARG 29 -4.515 -1.119 -2.569 230 2HD ARG 29 HD2 ARG 29 -3.867 -2.358 -3.643 231 HE ARG 29 HE ARG 29 -1.912 -2.206 -2.499 232 1HH1 ARG 29 HH22 ARG 29 -3.585 0.838 -2.173 233 2HH1 ARG 29 HH21 ARG 29 -2.387 1.527 -1.129 234 1HH2 ARG 29 HH12 ARG 29 -0.337 -1.304 -1.130 235 2HH2 ARG 29 HH11 ARG 29 -0.541 0.310 -0.539 236 H ILE 30 HN ILE 30 -3.312 2.498 -6.462 237 HA ILE 30 HA ILE 30 -3.058 3.731 -3.959 238 HB ILE 30 HB ILE 30 -2.331 4.764 -6.698 239 1HG1 ILE 30 HG11 ILE 30 -1.188 2.694 -5.936 240 2HG1 ILE 30 HG12 ILE 30 -0.085 4.047 -6.146 241 1HG2 ILE 30 HG21 ILE 30 -0.847 5.893 -4.468 242 2HG2 ILE 30 HG22 ILE 30 -2.564 6.302 -4.421 243 3HG2 ILE 30 HG23 ILE 30 -1.602 6.691 -5.847 244 1HD1 ILE 30 HD11 ILE 30 0.279 2.616 -4.112 245 2HD1 ILE 30 HD12 ILE 30 -1.225 3.282 -3.478 246 3HD1 ILE 30 HD13 ILE 30 0.138 4.349 -3.819 247 HA PRO 31 HA PRO 31 -6.600 6.389 -3.553 248 1HB PRO 31 HB2 PRO 31 -5.210 8.518 -2.373 249 2HB PRO 31 HB1 PRO 31 -5.982 7.182 -1.522 250 1HG PRO 31 HG2 PRO 31 -3.123 7.547 -2.285 251 2HG PRO 31 HG1 PRO 31 -3.814 6.816 -0.824 252 1HD PRO 31 HD1 PRO 31 -2.798 5.291 -2.758 253 2HD PRO 31 HD2 PRO 31 -4.280 4.809 -1.903 254 H GLU 32 HN GLU 32 -7.414 7.392 -5.269 255 HA GLU 32 HA GLU 32 -5.957 8.650 -7.292 256 1HB GLU 32 HB1 GLU 32 -8.749 8.213 -6.632 257 2HB GLU 32 HB2 GLU 32 -8.503 9.780 -7.391 258 1HG GLU 32 HG2 GLU 32 -7.441 8.737 -9.291 259 2HG GLU 32 HG1 GLU 32 -7.560 7.155 -8.519 260 H GLY 33 HN GLY 33 -6.304 9.775 -4.214 261 1HA GLY 33 HA1 GLY 33 -6.768 12.558 -4.808 262 2HA GLY 33 HA2 GLY 33 -6.352 11.879 -3.243 263 H THR 34 HN THR 34 -3.944 10.605 -3.894 264 HA THR 34 HA THR 34 -2.252 12.830 -4.811 265 HB THR 34 HB THR 34 -1.195 11.114 -2.634 266 HG1 THR 34 HG1 THR 34 -2.535 11.773 -1.161 267 1HG2 THR 34 HG21 THR 34 -1.068 14.053 -3.232 268 2HG2 THR 34 HG22 THR 34 0.220 12.861 -3.402 269 3HG2 THR 34 HG23 THR 34 -0.367 13.301 -1.799 270 H GLU 35 HN GLU 35 0.090 11.091 -3.955 271 HA GLU 35 HA GLU 35 -0.065 9.036 -6.050 272 1HB GLU 35 HB1 GLU 35 2.065 11.139 -5.687 273 2HB GLU 35 HB2 GLU 35 2.360 9.653 -6.579 274 1HG GLU 35 HG1 GLU 35 0.947 10.241 -8.298 275 2HG GLU 35 HG2 GLU 35 0.029 11.367 -7.297 276 H LEU 36 HN LEU 36 1.797 7.485 -5.893 277 HA LEU 36 HA LEU 36 1.943 6.521 -3.206 278 1HB LEU 36 HB1 LEU 36 2.893 4.576 -4.080 279 2HB LEU 36 HB2 LEU 36 1.786 5.121 -5.321 280 HG LEU 36 HG LEU 36 4.784 5.498 -5.363 281 1HD1 LEU 36 HD21 LEU 36 4.490 3.244 -5.783 282 2HD1 LEU 36 HD22 LEU 36 4.439 3.936 -7.405 283 3HD1 LEU 36 HD23 LEU 36 2.940 3.489 -6.590 284 1HD2 LEU 36 HD11 LEU 36 2.587 6.386 -7.185 285 2HD2 LEU 36 HD12 LEU 36 4.188 6.023 -7.830 286 3HD2 LEU 36 HD13 LEU 36 3.994 7.280 -6.606 287 H HIS 37 HN HIS 37 4.319 5.480 -2.745 288 HA HIS 37 HA HIS 37 6.264 7.684 -2.885 289 1HB HIS 37 HB1 HIS 37 5.197 7.697 -0.681 290 2HB HIS 37 HB2 HIS 37 5.586 6.000 -0.467 291 HD2 HIS 37 HD2 HIS 37 7.968 5.486 0.673 292 HE1 HIS 37 HE1 HIS 37 9.525 9.412 0.383 293 HE2 HIS 37 HE2 HIS 37 9.920 7.079 1.297 294 H LYS 38 HN LYS 38 6.309 4.557 -1.290 295 HA LYS 38 HA LYS 38 7.991 3.294 -3.227 296 1HB LYS 38 HB2 LYS 38 9.951 4.070 -2.469 297 2HB LYS 38 HB1 LYS 38 9.184 4.851 -1.099 298 1HG LYS 38 HG2 LYS 38 10.655 3.417 -0.076 299 2HG LYS 38 HG1 LYS 38 9.167 2.472 -0.071 300 1HD LYS 38 HD1 LYS 38 9.897 1.101 -1.821 301 2HD LYS 38 HD2 LYS 38 11.155 2.238 -2.306 302 1HE LYS 38 HE2 LYS 38 12.365 1.773 -0.225 303 2HE LYS 38 HE1 LYS 38 11.113 0.621 0.239 304 1HZ LYS 38 HZ1 LYS 38 11.665 -0.717 -1.682 305 2HZ LYS 38 HZ2 LYS 38 13.044 -0.474 -0.733 306 3HZ LYS 38 HZ3 LYS 38 12.839 0.399 -2.168 307 H ILE 39 HN ILE 39 7.802 1.122 -3.040 308 HA ILE 39 HA ILE 39 6.119 0.159 -0.879 309 HB ILE 39 HB ILE 39 7.044 -1.507 -3.189 310 1HG1 ILE 39 HG12 ILE 39 4.983 0.687 -3.142 311 2HG1 ILE 39 HG11 ILE 39 6.228 0.375 -4.344 312 1HG2 ILE 39 HG21 ILE 39 4.650 -1.488 -1.366 313 2HG2 ILE 39 HG22 ILE 39 5.901 -2.724 -1.501 314 3HG2 ILE 39 HG23 ILE 39 4.751 -2.487 -2.818 315 1HD1 ILE 39 HD11 ILE 39 3.525 -0.755 -4.072 316 2HD1 ILE 39 HD12 ILE 39 4.788 -1.860 -4.617 317 3HD1 ILE 39 HD13 ILE 39 4.466 -0.377 -5.518 318 H ASP 40 HN ASP 40 6.519 -1.854 0.198 319 HA ASP 40 HA ASP 40 9.379 -2.455 0.550 320 1HB ASP 40 HB2 ASP 40 7.144 -2.364 2.580 321 2HB ASP 40 HB1 ASP 40 8.764 -2.950 2.922 322 H GLU 41 HN GLU 41 9.923 -4.523 0.172 323 HA GLU 41 HA GLU 41 7.825 -6.500 -0.196 324 1HB GLU 41 HB1 GLU 41 10.683 -7.296 -0.356 325 2HB GLU 41 HB2 GLU 41 9.339 -7.718 -1.407 326 1HG GLU 41 HG1 GLU 41 9.528 -5.763 -2.647 327 2HG GLU 41 HG2 GLU 41 10.465 -4.948 -1.394 328 H GLU 42 HN GLU 42 7.225 -6.400 2.103 329 HA GLU 42 HA GLU 42 9.078 -7.787 3.907 330 1HB GLU 42 HB1 GLU 42 7.151 -5.693 4.260 331 2HB GLU 42 HB2 GLU 42 6.700 -7.061 5.268 332 1HG GLU 42 HG2 GLU 42 9.369 -6.896 5.748 333 2HG GLU 42 HG1 GLU 42 8.945 -5.200 5.504 334 HA PRO 43 HA PRO 43 6.500 -11.347 3.299 335 1HB PRO 43 HB1 PRO 43 7.986 -13.105 4.717 336 2HB PRO 43 HB2 PRO 43 8.476 -12.497 3.134 337 1HG PRO 43 HG2 PRO 43 9.533 -11.850 5.811 338 2HG PRO 43 HG1 PRO 43 10.323 -11.734 4.231 339 1HD PRO 43 HD1 PRO 43 9.152 -9.628 5.756 340 2HD PRO 43 HD2 PRO 43 9.854 -9.525 4.133 341 H ILE 44 HN ILE 44 5.158 -12.780 4.424 342 HA ILE 44 HA ILE 44 4.619 -12.025 7.221 343 HB ILE 44 HB ILE 44 2.421 -12.969 5.439 344 1HG1 ILE 44 HG12 ILE 44 3.605 -11.207 4.154 345 2HG1 ILE 44 HG11 ILE 44 1.988 -10.708 4.634 346 1HG2 ILE 44 HG21 ILE 44 1.227 -12.477 7.240 347 2HG2 ILE 44 HG22 ILE 44 1.722 -10.790 7.112 348 3HG2 ILE 44 HG23 ILE 44 2.683 -11.920 8.065 349 1HD1 ILE 44 HD11 ILE 44 3.511 -9.781 6.705 350 2HD1 ILE 44 HD12 ILE 44 2.994 -8.833 5.312 351 3HD1 ILE 44 HD13 ILE 44 4.592 -9.582 5.323 352 H ALA 45 HN ALA 45 3.063 -14.456 5.179 353 HA ALA 45 HA ALA 45 3.208 -16.459 7.183 354 1HB ALA 45 HB1 ALA 45 2.754 -17.106 4.301 355 2HB ALA 45 HB2 ALA 45 1.548 -16.190 5.206 356 3HB ALA 45 HB3 ALA 45 2.009 -17.806 5.738 357 H PHE 46 HN PHE 46 3.893 -18.728 5.557 358 HA PHE 46 HA PHE 46 6.709 -18.770 6.007 359 1HB PHE 46 HB2 PHE 46 4.702 -20.715 4.926 360 2HB PHE 46 HB1 PHE 46 6.419 -21.041 4.716 361 HD1 PHE 46 HD1 PHE 46 4.125 -19.918 7.441 362 HD2 PHE 46 HD2 PHE 46 7.393 -22.387 6.285 363 HE1 PHE 46 HE1 PHE 46 4.227 -20.843 9.719 364 HE2 PHE 46 HE2 PHE 46 7.500 -23.317 8.561 365 HZ PHE 46 HZ PHE 46 5.915 -22.544 10.281 366 H GLY 47 HN GLY 47 4.690 -18.024 3.317 367 1HA GLY 47 HA1 GLY 47 7.062 -17.406 1.728 368 2HA GLY 47 HA2 GLY 47 5.943 -18.573 1.044 369 H LEU 48 HN LEU 48 4.054 -16.535 2.782 370 HA LEU 48 HA LEU 48 3.272 -15.079 0.399 371 1HB LEU 48 HB2 LEU 48 2.022 -15.515 3.099 372 2HB LEU 48 HB1 LEU 48 1.377 -14.339 1.969 373 HG LEU 48 HG LEU 48 1.115 -16.200 0.305 374 1HD1 LEU 48 HD21 LEU 48 1.508 -18.045 2.637 375 2HD1 LEU 48 HD22 LEU 48 2.787 -17.690 1.474 376 3HD1 LEU 48 HD23 LEU 48 1.292 -18.455 0.934 377 1HD2 LEU 48 HD11 LEU 48 -0.363 -16.416 2.919 378 2HD2 LEU 48 HD12 LEU 48 -0.875 -17.166 1.406 379 3HD2 LEU 48 HD13 LEU 48 -0.793 -15.409 1.537 380 H VAL 49 HN VAL 49 4.591 -13.373 0.064 381 HA VAL 49 HA VAL 49 5.348 -11.660 2.293 382 HB VAL 49 HB VAL 49 6.191 -11.624 -0.607 383 1HG1 VAL 49 HG21 VAL 49 7.989 -10.195 1.066 384 2HG1 VAL 49 HG22 VAL 49 6.365 -9.560 1.333 385 3HG1 VAL 49 HG23 VAL 49 7.041 -9.598 -0.296 386 1HG2 VAL 49 HG11 VAL 49 8.413 -12.132 0.902 387 2HG2 VAL 49 HG12 VAL 49 7.445 -13.349 0.070 388 3HG2 VAL 49 HG13 VAL 49 7.159 -13.010 1.777 389 H ALA 50 HN ALA 50 4.560 -9.695 2.682 390 HA ALA 50 HA ALA 50 2.475 -8.644 0.922 391 1HB ALA 50 HB1 ALA 50 1.802 -7.259 2.756 392 2HB ALA 50 HB2 ALA 50 3.260 -7.668 3.663 393 3HB ALA 50 HB3 ALA 50 2.034 -8.900 3.363 394 H LEU 51 HN LEU 51 2.411 -6.285 0.578 395 HA LEU 51 HA LEU 51 5.119 -5.149 0.306 396 1HB LEU 51 HB1 LEU 51 2.806 -5.227 -1.596 397 2HB LEU 51 HB2 LEU 51 3.905 -3.863 -1.649 398 HG LEU 51 HG LEU 51 5.786 -5.430 -2.038 399 1HD1 LEU 51 HD11 LEU 51 4.993 -7.418 -1.001 400 2HD1 LEU 51 HD12 LEU 51 5.181 -7.758 -2.721 401 3HD1 LEU 51 HD13 LEU 51 3.577 -7.472 -2.052 402 1HD2 LEU 51 HD21 LEU 51 3.528 -5.743 -4.007 403 2HD2 LEU 51 HD22 LEU 51 5.250 -5.927 -4.339 404 3HD2 LEU 51 HD23 LEU 51 4.600 -4.346 -3.905 405 H ASN 52 HN ASN 52 5.400 -3.387 1.482 406 HA ASN 52 HA ASN 52 3.081 -1.944 2.504 407 1HB ASN 52 HB1 ASN 52 5.928 -1.233 3.156 408 2HB ASN 52 HB2 ASN 52 4.489 -1.075 4.155 409 1HD2 ASN 52 HD22 ASN 52 3.506 -3.720 3.670 410 2HD2 ASN 52 HD21 ASN 52 4.537 -4.807 4.530 411 H VAL 53 HN VAL 53 2.371 -0.864 0.730 412 HA VAL 53 HA VAL 53 4.151 0.826 -0.791 413 HB VAL 53 HB VAL 53 1.156 0.736 -1.041 414 1HG1 VAL 53 HG21 VAL 53 1.556 1.411 -3.309 415 2HG1 VAL 53 HG22 VAL 53 3.298 1.218 -3.106 416 3HG1 VAL 53 HG23 VAL 53 2.445 2.496 -2.240 417 1HG2 VAL 53 HG11 VAL 53 2.357 -1.557 -1.063 418 2HG2 VAL 53 HG12 VAL 53 2.942 -1.041 -2.645 419 3HG2 VAL 53 HG13 VAL 53 1.209 -1.170 -2.344 420 H MET 54 HN MET 54 4.794 2.591 0.272 421 HA MET 54 HA MET 54 2.973 4.121 1.918 422 1HB MET 54 HB1 MET 54 5.871 4.478 1.149 423 2HB MET 54 HB2 MET 54 4.997 5.661 2.113 424 1HG MET 54 HG1 MET 54 5.208 4.458 3.965 425 2HG MET 54 HG2 MET 54 4.711 2.973 3.156 426 1HE MET 54 HE1 MET 54 6.410 0.987 3.578 427 2HE MET 54 HE2 MET 54 6.307 1.988 5.026 428 3HE MET 54 HE3 MET 54 7.876 1.413 4.461 429 H VAL 55 HN VAL 55 2.830 6.522 1.590 430 HA VAL 55 HA VAL 55 2.846 7.267 -1.245 431 HB VAL 55 HB VAL 55 0.625 8.054 -1.259 432 1HG1 VAL 55 HG11 VAL 55 0.752 5.386 0.120 433 2HG1 VAL 55 HG12 VAL 55 0.691 5.701 -1.614 434 3HG1 VAL 55 HG13 VAL 55 -0.713 6.048 -0.605 435 1HG2 VAL 55 HG21 VAL 55 -0.849 8.021 0.713 436 2HG2 VAL 55 HG22 VAL 55 0.536 9.092 0.926 437 3HG2 VAL 55 HG23 VAL 55 0.518 7.509 1.703 438 H VAL 56 HN VAL 56 3.350 9.367 -1.652 439 HA VAL 56 HA VAL 56 4.119 10.989 0.661 440 HB VAL 56 HB VAL 56 4.657 12.110 -1.998 441 1HG1 VAL 56 HG11 VAL 56 6.204 13.149 -0.795 442 2HG1 VAL 56 HG12 VAL 56 6.971 11.611 -0.397 443 3HG1 VAL 56 HG13 VAL 56 5.678 12.243 0.624 444 1HG2 VAL 56 HG21 VAL 56 5.096 10.014 -2.841 445 2HG2 VAL 56 HG22 VAL 56 5.606 9.375 -1.279 446 3HG2 VAL 56 HG23 VAL 56 6.669 10.456 -2.179 447 H VAL 57 HN VAL 57 2.760 12.478 1.394 448 HA VAL 57 HA VAL 57 1.041 13.895 -0.527 449 HB VAL 57 HB VAL 57 -0.771 13.969 1.126 450 1HG1 VAL 57 HG21 VAL 57 -0.106 11.882 -0.521 451 2HG1 VAL 57 HG22 VAL 57 -1.652 12.085 0.303 452 3HG1 VAL 57 HG23 VAL 57 -0.396 11.077 1.020 453 1HG2 VAL 57 HG11 VAL 57 1.189 13.200 2.931 454 2HG2 VAL 57 HG12 VAL 57 0.144 11.785 2.791 455 3HG2 VAL 57 HG13 VAL 57 -0.540 13.345 3.249 456 H GLY 58 HN GLY 58 0.750 16.072 -0.164 457 1HA GLY 58 HA2 GLY 58 1.593 17.311 2.292 458 2HA GLY 58 HA1 GLY 58 2.708 17.591 0.963 459 H ASP 59 HN ASP 59 1.639 18.411 -1.090 460 HA ASP 59 HA ASP 59 0.048 20.717 -0.389 461 1HB ASP 59 HB2 ASP 59 1.983 20.635 -2.097 462 2HB ASP 59 HB1 ASP 59 0.808 19.909 -3.190 463 H ALA 60 HN ALA 60 -0.627 17.576 -1.101 464 HA ALA 60 HA ALA 60 -2.851 17.792 -2.840 465 1HB ALA 60 HB1 ALA 60 -3.060 15.537 -2.593 466 2HB ALA 60 HB2 ALA 60 -2.713 15.583 -0.864 467 3HB ALA 60 HB3 ALA 60 -1.400 15.731 -2.032 468 H GLU 61 HN GLU 61 -4.692 16.175 -1.246 469 HA GLU 61 HA GLU 61 -5.543 17.944 0.903 470 1HB GLU 61 HB1 GLU 61 -7.935 17.683 -0.272 471 2HB GLU 61 HB2 GLU 61 -6.874 19.051 -0.579 472 1HG GLU 61 HG1 GLU 61 -6.368 18.367 -2.686 473 2HG GLU 61 HG2 GLU 61 -6.560 16.656 -2.297 474 H GLY 62 HN GLY 62 -8.133 16.901 1.175 475 1HA GLY 62 HA1 GLY 62 -7.512 14.327 2.343 476 2HA GLY 62 HA2 GLY 62 -9.044 15.185 2.455 477 H GLY 63 HN GLY 63 -7.807 14.995 -0.689 478 1HA GLY 63 HA2 GLY 63 -9.990 13.414 -1.609 479 2HA GLY 63 HA1 GLY 63 -8.626 13.960 -2.573 480 H THR 64 HN THR 64 -7.220 12.476 -0.053 481 HA THR 64 HA THR 64 -6.596 10.131 -1.583 482 HB THR 64 HB THR 64 -4.933 9.720 -0.053 483 HG1 THR 64 HG1 THR 64 -6.315 11.046 2.022 484 1HG2 THR 64 HG21 THR 64 -3.903 11.657 -0.254 485 2HG2 THR 64 HG22 THR 64 -4.724 12.200 1.209 486 3HG2 THR 64 HG23 THR 64 -5.438 12.519 -0.373 487 H GLU 65 HN GLU 65 -9.202 10.961 0.199 488 HA GLU 65 HA GLU 65 -9.814 8.765 1.810 489 1HB GLU 65 HB2 GLU 65 -12.190 9.402 1.367 490 2HB GLU 65 HB1 GLU 65 -11.177 10.744 1.875 491 1HG GLU 65 HG2 GLU 65 -11.479 11.854 -0.033 492 2HG GLU 65 HG1 GLU 65 -11.306 10.401 -1.017 493 H ALA 66 HN ALA 66 -9.689 9.153 -1.582 494 HA ALA 66 HA ALA 66 -11.409 7.184 -2.510 495 1HB ALA 66 HB1 ALA 66 -10.473 7.529 -4.545 496 2HB ALA 66 HB2 ALA 66 -8.825 7.456 -3.922 497 3HB ALA 66 HB3 ALA 66 -9.780 8.926 -3.719 498 H ALA 67 HN ALA 67 -8.295 6.880 -0.985 499 HA ALA 67 HA ALA 67 -7.615 4.288 -1.817 500 1HB ALA 67 HB1 ALA 67 -5.809 4.871 -0.661 501 2HB ALA 67 HB2 ALA 67 -6.712 4.559 0.823 502 3HB ALA 67 HB3 ALA 67 -6.684 6.183 0.132 503 H GLU 68 HN GLU 68 -9.306 5.379 1.121 504 HA GLU 68 HA GLU 68 -9.916 2.834 2.127 505 1HB GLU 68 HB1 GLU 68 -11.588 5.334 2.440 506 2HB GLU 68 HB2 GLU 68 -11.561 3.941 3.511 507 1HG GLU 68 HG2 GLU 68 -9.138 4.465 3.946 508 2HG GLU 68 HG1 GLU 68 -9.399 5.982 3.086 509 H GLU 69 HN GLU 69 -11.526 4.882 -0.235 510 HA GLU 69 HA GLU 69 -13.943 3.436 -0.435 511 1HB GLU 69 HB1 GLU 69 -12.781 5.687 -1.677 512 2HB GLU 69 HB2 GLU 69 -13.152 4.553 -2.969 513 1HG GLU 69 HG1 GLU 69 -15.383 4.614 -1.240 514 2HG GLU 69 HG2 GLU 69 -14.901 6.284 -1.545 515 H SER 70 HN SER 70 -10.910 3.282 -2.252 516 HA SER 70 HA SER 70 -11.661 1.161 -3.960 517 1HB SER 70 HB1 SER 70 -9.578 2.855 -3.953 518 2HB SER 70 HB2 SER 70 -8.802 1.468 -3.185 519 HG SER 70 HG SER 70 -8.551 1.268 -5.390 520 H LEU 71 HN LEU 71 -10.765 1.311 -0.667 521 HA LEU 71 HA LEU 71 -9.770 -1.353 -0.400 522 1HB LEU 71 HB2 LEU 71 -10.129 0.944 1.259 523 2HB LEU 71 HB1 LEU 71 -10.840 -0.441 2.061 524 HG LEU 71 HG LEU 71 -8.530 -0.099 2.766 525 1HD1 LEU 71 HD11 LEU 71 -9.207 -2.342 2.894 526 2HD1 LEU 71 HD12 LEU 71 -7.634 -2.380 2.098 527 3HD1 LEU 71 HD13 LEU 71 -9.109 -2.559 1.147 528 1HD2 LEU 71 HD21 LEU 71 -7.505 0.969 0.944 529 2HD2 LEU 71 HD22 LEU 71 -7.957 -0.320 -0.173 530 3HD2 LEU 71 HD23 LEU 71 -6.724 -0.609 1.055 531 H SER 72 HN SER 72 -12.902 0.172 -0.282 532 HA SER 72 HA SER 72 -14.342 -1.905 0.975 533 1HB SER 72 HB2 SER 72 -16.190 -0.621 0.578 534 2HB SER 72 HB1 SER 72 -14.975 0.607 0.222 535 HG SER 72 HG SER 72 -15.359 0.412 -1.881 536 H GLY 73 HN GLY 73 -12.771 -1.834 -1.973 537 1HA GLY 73 HA2 GLY 73 -14.067 -4.315 -2.792 538 2HA GLY 73 HA1 GLY 73 -14.151 -2.979 -3.931 539 H ILE 74 HN ILE 74 -11.392 -3.209 -1.911 540 HA ILE 74 HA ILE 74 -9.617 -3.441 -4.132 541 HB ILE 74 HB ILE 74 -9.303 -2.264 -1.819 542 1HG1 ILE 74 HG11 ILE 74 -6.727 -3.441 -2.352 543 2HG1 ILE 74 HG12 ILE 74 -7.567 -3.102 -3.863 544 1HG2 ILE 74 HG21 ILE 74 -8.594 -3.430 -0.033 545 2HG2 ILE 74 HG22 ILE 74 -7.710 -4.603 -1.010 546 3HG2 ILE 74 HG23 ILE 74 -9.457 -4.751 -0.820 547 1HD1 ILE 74 HD11 ILE 74 -6.215 -1.306 -2.123 548 2HD1 ILE 74 HD12 ILE 74 -7.918 -0.853 -2.207 549 3HD1 ILE 74 HD13 ILE 74 -6.967 -0.987 -3.687 550 H GLU 75 HN GLU 75 -7.581 -5.100 -3.165 551 HA GLU 75 HA GLU 75 -8.209 -7.590 -4.187 552 1HB GLU 75 HB2 GLU 75 -6.033 -6.425 -2.623 553 2HB GLU 75 HB1 GLU 75 -6.265 -8.138 -2.296 554 1HG GLU 75 HG1 GLU 75 -5.832 -6.911 -5.006 555 2HG GLU 75 HG2 GLU 75 -4.617 -7.760 -4.045 556 H GLY 76 HN GLY 76 -9.996 -8.622 -3.498 557 1HA GLY 76 HA1 GLY 76 -10.901 -8.761 -0.830 558 2HA GLY 76 HA2 GLY 76 -11.384 -9.842 -2.131 559 H VAL 77 HN VAL 77 -8.547 -10.608 -2.586 560 HA VAL 77 HA VAL 77 -8.437 -12.684 -0.550 561 HB VAL 77 HB VAL 77 -8.118 -12.977 -3.130 562 1HG1 VAL 77 HG11 VAL 77 -6.346 -11.418 -3.499 563 2HG1 VAL 77 HG12 VAL 77 -5.711 -13.044 -3.754 564 3HG1 VAL 77 HG13 VAL 77 -5.350 -12.181 -2.259 565 1HG2 VAL 77 HG21 VAL 77 -6.723 -14.961 -2.711 566 2HG2 VAL 77 HG22 VAL 77 -7.996 -14.783 -1.501 567 3HG2 VAL 77 HG23 VAL 77 -6.335 -14.336 -1.107 568 H SER 78 HN SER 78 -6.561 -9.979 -1.745 569 HA SER 78 HA SER 78 -4.468 -10.444 0.221 570 1HB SER 78 HB2 SER 78 -4.558 -8.152 -1.736 571 2HB SER 78 HB1 SER 78 -3.145 -8.936 -1.036 572 HG SER 78 HG SER 78 -3.641 -9.491 -3.272 573 H ASN 79 HN ASN 79 -5.521 -9.922 2.161 574 HA ASN 79 HA ASN 79 -6.846 -7.378 2.455 575 1HB ASN 79 HB2 ASN 79 -7.775 -8.853 3.954 576 2HB ASN 79 HB1 ASN 79 -6.248 -9.659 4.276 577 1HD2 ASN 79 HD21 ASN 79 -6.960 -6.137 4.499 578 2HD2 ASN 79 HD22 ASN 79 -6.633 -6.046 6.191 579 H ILE 80 HN ILE 80 -5.994 -5.556 3.049 580 HA ILE 80 HA ILE 80 -3.119 -5.490 3.425 581 HB ILE 80 HB ILE 80 -4.976 -3.171 2.991 582 1HG1 ILE 80 HG12 ILE 80 -3.551 -4.725 0.834 583 2HG1 ILE 80 HG11 ILE 80 -5.245 -4.970 1.241 584 1HG2 ILE 80 HG21 ILE 80 -2.207 -3.422 3.425 585 2HG2 ILE 80 HG22 ILE 80 -3.135 -1.968 3.065 586 3HG2 ILE 80 HG23 ILE 80 -2.442 -2.917 1.752 587 1HD1 ILE 80 HD11 ILE 80 -4.921 -3.521 -0.714 588 2HD1 ILE 80 HD12 ILE 80 -4.063 -2.367 0.307 589 3HD1 ILE 80 HD13 ILE 80 -5.768 -2.710 0.604 590 H GLU 81 HN GLU 81 -2.102 -4.349 5.026 591 HA GLU 81 HA GLU 81 -3.597 -3.920 7.486 592 1HB GLU 81 HB2 GLU 81 -1.281 -5.049 7.377 593 2HB GLU 81 HB1 GLU 81 -0.647 -3.440 7.059 594 1HG GLU 81 HG1 GLU 81 -0.374 -3.671 9.338 595 2HG GLU 81 HG2 GLU 81 -1.881 -2.764 9.213 596 H VAL 82 HN VAL 82 -4.778 -2.309 6.227 597 HA VAL 82 HA VAL 82 -3.447 0.058 5.348 598 HB VAL 82 HB VAL 82 -6.402 -0.555 5.633 599 1HG1 VAL 82 HG21 VAL 82 -5.973 1.268 3.550 600 2HG1 VAL 82 HG22 VAL 82 -4.973 1.850 4.882 601 3HG1 VAL 82 HG23 VAL 82 -6.705 1.607 5.119 602 1HG2 VAL 82 HG11 VAL 82 -5.802 -2.092 4.081 603 2HG2 VAL 82 HG12 VAL 82 -4.388 -1.175 3.552 604 3HG2 VAL 82 HG13 VAL 82 -6.000 -0.693 3.021 605 H THR 83 HN THR 83 -2.750 -0.183 7.910 606 HA THR 83 HA THR 83 -4.170 2.037 9.190 607 HB THR 83 HB THR 83 -3.082 -0.211 10.855 608 HG1 THR 83 HG1 THR 83 -5.337 -0.247 9.273 609 1HG2 THR 83 HG21 THR 83 -4.205 0.681 12.578 610 2HG2 THR 83 HG22 THR 83 -5.548 1.221 11.571 611 3HG2 THR 83 HG23 THR 83 -4.053 2.156 11.623 612 H ASP 84 HN ASP 84 -1.425 1.298 7.756 613 HA ASP 84 HA ASP 84 0.424 2.042 9.866 614 1HB ASP 84 HB1 ASP 84 0.898 0.291 8.082 615 2HB ASP 84 HB2 ASP 84 1.071 1.627 6.954 616 H VAL 85 HN VAL 85 1.770 3.868 9.779 617 HA VAL 85 HA VAL 85 1.115 5.982 7.884 618 HB VAL 85 HB VAL 85 -0.402 6.106 9.967 619 1HG1 VAL 85 HG11 VAL 85 1.326 5.704 11.638 620 2HG1 VAL 85 HG12 VAL 85 0.559 7.274 11.886 621 3HG1 VAL 85 HG13 VAL 85 2.158 7.179 11.146 622 1HG2 VAL 85 HG21 VAL 85 1.024 8.188 8.502 623 2HG2 VAL 85 HG22 VAL 85 0.397 8.723 10.061 624 3HG2 VAL 85 HG23 VAL 85 -0.694 8.028 8.862 625 H ARG 86 HN ARG 86 2.602 7.818 8.021 626 HA ARG 86 HA ARG 86 5.090 7.365 9.474 627 1HB ARG 86 HB1 ARG 86 5.247 7.975 6.537 628 2HB ARG 86 HB2 ARG 86 6.500 7.359 7.602 629 1HG ARG 86 HG1 ARG 86 4.529 5.407 7.646 630 2HG ARG 86 HG2 ARG 86 4.608 5.935 5.965 631 1HD ARG 86 HD2 ARG 86 6.811 5.300 5.727 632 2HD ARG 86 HD1 ARG 86 7.131 5.387 7.459 633 HE ARG 86 HE ARG 86 6.042 3.146 5.997 634 1HH1 ARG 86 HH22 ARG 86 6.476 4.644 9.112 635 2HH1 ARG 86 HH21 ARG 86 6.275 3.168 9.994 636 1HH2 ARG 86 HH12 ARG 86 5.776 1.196 7.151 637 2HH2 ARG 86 HH11 ARG 86 5.877 1.208 8.880 638 H ARG 87 HN ARG 87 4.798 9.240 10.639 639 HA ARG 87 HA ARG 87 4.179 11.733 9.323 640 1HB ARG 87 HB1 ARG 87 4.722 10.884 12.138 641 2HB ARG 87 HB2 ARG 87 4.881 12.586 11.724 642 1HG ARG 87 HG1 ARG 87 2.417 11.444 10.712 643 2HG ARG 87 HG2 ARG 87 2.565 11.281 12.463 644 1HD ARG 87 HD2 ARG 87 3.373 13.905 11.497 645 2HD ARG 87 HD1 ARG 87 1.699 13.517 11.104 646 HE ARG 87 HE ARG 87 2.794 13.462 13.842 647 1HH1 ARG 87 HH22 ARG 87 0.213 14.075 11.582 648 2HH1 ARG 87 HH21 ARG 87 -0.896 14.615 12.797 649 1HH2 ARG 87 HH12 ARG 87 1.339 14.171 15.449 650 2HH2 ARG 87 HH11 ARG 87 -0.256 14.670 14.995 651 H LEU 88 HN LEU 88 5.879 11.968 7.822 652 HA LEU 88 HA LEU 88 8.618 11.979 8.750 653 1HB LEU 88 HB1 LEU 88 7.264 12.357 6.115 654 2HB LEU 88 HB2 LEU 88 8.894 12.962 6.321 655 HG LEU 88 HG LEU 88 9.646 10.687 6.916 656 1HD1 LEU 88 HD21 LEU 88 7.680 9.723 7.841 657 2HD1 LEU 88 HD22 LEU 88 8.070 8.809 6.383 658 3HD1 LEU 88 HD23 LEU 88 6.768 10.000 6.355 659 1HD2 LEU 88 HD11 LEU 88 8.572 11.547 4.350 660 2HD2 LEU 88 HD12 LEU 88 8.718 9.795 4.494 661 3HD2 LEU 88 HD13 LEU 88 10.132 10.820 4.740 662 H MET 89 HN MET 89 8.262 13.673 10.362 663 HA MET 89 HA MET 89 7.908 16.368 9.291 664 1HB MET 89 HB2 MET 89 7.862 15.180 12.043 665 2HB MET 89 HB1 MET 89 8.140 16.905 11.844 666 1HG MET 89 HG2 MET 89 5.734 15.339 10.948 667 2HG MET 89 HG1 MET 89 5.813 16.524 12.251 668 1HE MET 89 HE1 MET 89 4.786 17.278 7.970 669 2HE MET 89 HE2 MET 89 4.161 16.119 9.143 670 3HE MET 89 HE3 MET 89 5.757 15.880 8.433 Start of MODEL 15 1 1H MET 1 HT1 MET 1 10.526 17.409 7.329 2 2H MET 1 HT2 MET 1 10.457 19.122 7.392 3 3H MET 1 HT3 MET 1 9.484 18.265 6.269 4 HA MET 1 HA MET 1 8.615 17.125 8.403 5 1HB MET 1 HB1 MET 1 10.359 19.073 9.409 6 2HB MET 1 HB2 MET 1 8.746 19.719 9.683 7 1HG MET 1 HG1 MET 1 8.844 18.527 11.569 8 2HG MET 1 HG2 MET 1 8.413 17.175 10.523 9 1HE MET 1 HE1 MET 1 10.374 14.741 10.960 10 2HE MET 1 HE2 MET 1 9.004 15.518 11.754 11 3HE MET 1 HE3 MET 1 10.496 15.228 12.650 12 H GLY 2 HN GLY 2 6.998 17.195 6.768 13 1HA GLY 2 HA1 GLY 2 4.861 18.893 7.270 14 2HA GLY 2 HA2 GLY 2 5.747 19.612 5.934 15 H ASP 3 HN ASP 3 6.415 16.535 5.476 16 HA ASP 3 HA ASP 3 4.285 16.212 3.516 17 1HB ASP 3 HB2 ASP 3 5.661 14.370 2.633 18 2HB ASP 3 HB1 ASP 3 6.573 15.872 2.751 19 H VAL 4 HN VAL 4 2.830 14.566 3.478 20 HA VAL 4 HA VAL 4 2.532 13.054 5.971 21 HB VAL 4 HB VAL 4 0.472 12.977 3.813 22 1HG1 VAL 4 HG21 VAL 4 0.693 12.280 6.594 23 2HG1 VAL 4 HG22 VAL 4 -0.576 11.882 5.437 24 3HG1 VAL 4 HG23 VAL 4 -0.649 13.395 6.340 25 1HG2 VAL 4 HG11 VAL 4 -0.457 15.060 5.194 26 2HG2 VAL 4 HG12 VAL 4 0.536 15.246 3.749 27 3HG2 VAL 4 HG13 VAL 4 1.271 15.381 5.347 28 H VAL 5 HN VAL 5 3.615 11.173 5.916 29 HA VAL 5 HA VAL 5 3.600 9.601 3.431 30 HB VAL 5 HB VAL 5 5.442 9.660 5.802 31 1HG1 VAL 5 HG11 VAL 5 4.709 7.306 4.282 32 2HG1 VAL 5 HG12 VAL 5 5.707 7.448 5.731 33 3HG1 VAL 5 HG13 VAL 5 6.429 7.672 4.134 34 1HG2 VAL 5 HG21 VAL 5 5.498 10.672 3.166 35 2HG2 VAL 5 HG22 VAL 5 6.722 9.407 3.271 36 3HG2 VAL 5 HG23 VAL 5 6.756 10.762 4.399 37 H ALA 6 HN ALA 6 2.007 8.131 3.347 38 HA ALA 6 HA ALA 6 1.153 6.800 5.828 39 1HB ALA 6 HB1 ALA 6 -0.218 6.870 3.143 40 2HB ALA 6 HB2 ALA 6 -0.622 7.883 4.529 41 3HB ALA 6 HB3 ALA 6 -0.849 6.136 4.616 42 H THR 7 HN THR 7 0.554 4.410 5.526 43 HA THR 7 HA THR 7 2.188 3.090 3.509 44 HB THR 7 HB THR 7 2.464 2.303 6.397 45 HG1 THR 7 HG1 THR 7 3.769 4.236 4.920 46 1HG2 THR 7 HG21 THR 7 4.553 1.226 5.510 47 2HG2 THR 7 HG22 THR 7 3.905 1.506 3.891 48 3HG2 THR 7 HG23 THR 7 3.029 0.478 5.029 49 H ILE 8 HN ILE 8 1.258 1.456 2.641 50 HA ILE 8 HA ILE 8 -1.011 0.117 3.979 51 HB ILE 8 HB ILE 8 -0.635 0.445 1.003 52 1HG1 ILE 8 HG12 ILE 8 -0.801 2.657 2.258 53 2HG1 ILE 8 HG11 ILE 8 -1.998 2.382 0.999 54 1HG2 ILE 8 HG21 ILE 8 -2.771 -0.589 2.772 55 2HG2 ILE 8 HG22 ILE 8 -2.167 -1.205 1.233 56 3HG2 ILE 8 HG23 ILE 8 -3.232 0.202 1.262 57 1HD1 ILE 8 HD11 ILE 8 -2.461 3.130 3.633 58 2HD1 ILE 8 HD12 ILE 8 -2.966 1.444 3.538 59 3HD1 ILE 8 HD13 ILE 8 -3.658 2.636 2.435 60 H LYS 9 HN LYS 9 -0.286 -1.889 4.599 61 HA LYS 9 HA LYS 9 1.688 -3.275 2.926 62 1HB LYS 9 HB1 LYS 9 0.866 -4.557 5.435 63 2HB LYS 9 HB2 LYS 9 2.469 -4.274 4.775 64 1HG LYS 9 HG2 LYS 9 1.074 -1.861 5.699 65 2HG LYS 9 HG1 LYS 9 1.452 -3.032 6.956 66 1HD LYS 9 HD2 LYS 9 3.548 -2.227 4.995 67 2HD LYS 9 HD1 LYS 9 3.165 -1.188 6.368 68 1HE LYS 9 HE1 LYS 9 3.517 -3.192 7.845 69 2HE LYS 9 HE2 LYS 9 4.156 -4.026 6.429 70 1HZ LYS 9 HZ1 LYS 9 5.823 -2.913 7.941 71 2HZ LYS 9 HZ2 LYS 9 5.247 -1.436 7.355 72 3HZ LYS 9 HZ3 LYS 9 5.951 -2.549 6.295 73 H VAL 10 HN VAL 10 0.478 -4.133 1.274 74 HA VAL 10 HA VAL 10 -1.880 -5.709 1.902 75 HB VAL 10 HB VAL 10 -2.623 -5.149 -0.112 76 1HG1 VAL 10 HG21 VAL 10 -1.960 -3.111 -0.760 77 2HG1 VAL 10 HG22 VAL 10 -0.297 -3.631 -1.038 78 3HG1 VAL 10 HG23 VAL 10 -0.833 -3.228 0.595 79 1HG2 VAL 10 HG11 VAL 10 -1.282 -7.024 -1.063 80 2HG2 VAL 10 HG12 VAL 10 -0.010 -5.858 -1.425 81 3HG2 VAL 10 HG13 VAL 10 -1.592 -5.702 -2.188 82 H MET 11 HN MET 11 -2.119 -7.890 1.700 83 HA MET 11 HA MET 11 -0.008 -9.451 0.469 84 1HB MET 11 HB2 MET 11 0.774 -10.567 2.301 85 2HB MET 11 HB1 MET 11 0.374 -9.031 3.053 86 1HG MET 11 HG1 MET 11 -1.316 -9.891 4.269 87 2HG MET 11 HG2 MET 11 -1.767 -11.057 3.029 88 1HE MET 11 HE1 MET 11 -0.539 -14.230 4.137 89 2HE MET 11 HE2 MET 11 0.200 -13.501 2.711 90 3HE MET 11 HE3 MET 11 -1.505 -13.214 3.065 91 HA PRO 12 HA PRO 12 -3.732 -11.602 -0.817 92 1HB PRO 12 HB1 PRO 12 -1.786 -13.346 -2.199 93 2HB PRO 12 HB2 PRO 12 -3.100 -12.375 -2.869 94 1HG PRO 12 HG1 PRO 12 -0.555 -11.664 -3.228 95 2HG PRO 12 HG2 PRO 12 -1.812 -10.444 -2.940 96 1HD PRO 12 HD2 PRO 12 0.159 -11.619 -0.993 97 2HD PRO 12 HD1 PRO 12 -0.275 -9.915 -1.254 98 H GLU 13 HN GLU 13 -4.720 -13.004 0.453 99 HA GLU 13 HA GLU 13 -3.528 -14.630 2.360 100 1HB GLU 13 HB1 GLU 13 -6.229 -14.313 1.224 101 2HB GLU 13 HB2 GLU 13 -5.909 -15.888 1.937 102 1HG GLU 13 HG1 GLU 13 -5.105 -13.545 3.537 103 2HG GLU 13 HG2 GLU 13 -6.837 -13.792 3.318 104 H SER 14 HN SER 14 -4.228 -15.232 -0.992 105 HA SER 14 HA SER 14 -3.912 -18.076 -0.827 106 1HB SER 14 HB1 SER 14 -4.497 -18.102 -3.044 107 2HB SER 14 HB2 SER 14 -5.085 -16.487 -2.653 108 HG SER 14 HG SER 14 -2.880 -17.265 -4.149 109 HA PRO 15 HA PRO 15 0.483 -18.361 -1.113 110 1HB PRO 15 HB2 PRO 15 0.762 -20.656 -2.544 111 2HB PRO 15 HB1 PRO 15 0.281 -20.637 -0.844 112 1HG PRO 15 HG2 PRO 15 -1.419 -20.911 -3.293 113 2HG PRO 15 HG1 PRO 15 -1.517 -21.794 -1.758 114 1HD PRO 15 HD2 PRO 15 -3.169 -19.734 -2.363 115 2HD PRO 15 HD1 PRO 15 -2.646 -20.084 -0.703 116 H ASP 16 HN ASP 16 -1.553 -17.822 -3.725 117 HA ASP 16 HA ASP 16 0.590 -17.709 -5.708 118 1HB ASP 16 HB2 ASP 16 -2.401 -17.369 -5.891 119 2HB ASP 16 HB1 ASP 16 -1.326 -17.018 -7.240 120 H VAL 17 HN VAL 17 0.669 -15.927 -3.466 121 HA VAL 17 HA VAL 17 -0.297 -13.365 -4.167 122 HB VAL 17 HB VAL 17 0.099 -13.197 -1.990 123 1HG1 VAL 17 HG11 VAL 17 1.839 -15.502 -2.451 124 2HG1 VAL 17 HG12 VAL 17 0.610 -15.217 -1.218 125 3HG1 VAL 17 HG13 VAL 17 2.225 -14.527 -1.032 126 1HG2 VAL 17 HG21 VAL 17 2.139 -12.142 -1.318 127 2HG2 VAL 17 HG22 VAL 17 1.709 -11.569 -2.932 128 3HG2 VAL 17 HG23 VAL 17 2.985 -12.772 -2.731 129 H ASP 18 HN ASP 18 0.264 -12.977 -6.261 130 HA ASP 18 HA ASP 18 2.942 -13.135 -7.262 131 1HB ASP 18 HB1 ASP 18 0.335 -12.091 -8.297 132 2HB ASP 18 HB2 ASP 18 1.828 -11.637 -9.113 133 H LEU 19 HN LEU 19 4.454 -11.849 -6.432 134 HA LEU 19 HA LEU 19 3.978 -9.375 -5.183 135 1HB LEU 19 HB1 LEU 19 6.034 -11.016 -5.116 136 2HB LEU 19 HB2 LEU 19 6.622 -10.016 -6.430 137 HG LEU 19 HG LEU 19 5.729 -8.691 -3.909 138 1HD1 LEU 19 HD21 LEU 19 8.098 -10.446 -4.226 139 2HD1 LEU 19 HD22 LEU 19 7.121 -10.107 -2.798 140 3HD1 LEU 19 HD23 LEU 19 8.308 -8.927 -3.355 141 1HD2 LEU 19 HD11 LEU 19 8.046 -7.534 -4.811 142 2HD2 LEU 19 HD12 LEU 19 6.409 -6.981 -5.170 143 3HD2 LEU 19 HD13 LEU 19 7.253 -8.038 -6.304 144 H GLU 20 HN GLU 20 5.313 -10.115 -8.399 145 HA GLU 20 HA GLU 20 5.573 -7.419 -9.171 146 1HB GLU 20 HB1 GLU 20 6.845 -9.138 -10.292 147 2HB GLU 20 HB2 GLU 20 5.375 -9.943 -10.822 148 1HG GLU 20 HG2 GLU 20 4.855 -8.187 -12.332 149 2HG GLU 20 HG1 GLU 20 6.119 -7.155 -11.662 150 H ALA 21 HN ALA 21 2.956 -9.760 -9.538 151 HA ALA 21 HA ALA 21 1.403 -8.086 -11.260 152 1HB ALA 21 HB1 ALA 21 1.162 -10.584 -11.066 153 2HB ALA 21 HB2 ALA 21 -0.345 -9.670 -11.022 154 3HB ALA 21 HB3 ALA 21 0.345 -10.304 -9.529 155 H LEU 22 HN LEU 22 1.726 -8.501 -7.822 156 HA LEU 22 HA LEU 22 -0.592 -7.043 -7.041 157 1HB LEU 22 HB2 LEU 22 1.080 -8.601 -5.678 158 2HB LEU 22 HB1 LEU 22 1.880 -7.078 -5.363 159 HG LEU 22 HG LEU 22 0.295 -6.382 -3.904 160 1HD1 LEU 22 HD21 LEU 22 -2.110 -6.917 -4.056 161 2HD1 LEU 22 HD22 LEU 22 -1.780 -7.877 -5.498 162 3HD1 LEU 22 HD23 LEU 22 -1.490 -6.137 -5.512 163 1HD2 LEU 22 HD11 LEU 22 0.141 -9.349 -3.972 164 2HD2 LEU 22 HD12 LEU 22 -0.924 -8.454 -2.884 165 3HD2 LEU 22 HD13 LEU 22 0.828 -8.279 -2.750 166 H LYS 23 HN LYS 23 2.655 -6.251 -7.940 167 HA LYS 23 HA LYS 23 2.836 -3.613 -7.040 168 1HB LYS 23 HB2 LYS 23 4.222 -5.345 -8.935 169 2HB LYS 23 HB1 LYS 23 4.224 -3.660 -9.434 170 1HG LYS 23 HG1 LYS 23 4.895 -3.380 -6.845 171 2HG LYS 23 HG2 LYS 23 5.573 -4.977 -7.169 172 1HD LYS 23 HD2 LYS 23 6.128 -3.038 -9.273 173 2HD LYS 23 HD1 LYS 23 6.792 -2.581 -7.703 174 1HE LYS 23 HE1 LYS 23 8.489 -3.959 -8.116 175 2HE LYS 23 HE2 LYS 23 7.351 -5.296 -7.943 176 1HZ LYS 23 HZ1 LYS 23 8.767 -4.999 -10.106 177 2HZ LYS 23 HZ2 LYS 23 7.522 -3.938 -10.535 178 3HZ LYS 23 HZ3 LYS 23 7.171 -5.556 -10.187 179 H LYS 24 HN LYS 24 1.588 -4.953 -10.070 180 HA LYS 24 HA LYS 24 0.970 -2.468 -11.274 181 1HB LYS 24 HB1 LYS 24 -0.618 -4.935 -11.867 182 2HB LYS 24 HB2 LYS 24 -0.040 -3.693 -12.968 183 1HG LYS 24 HG1 LYS 24 2.313 -4.657 -12.215 184 2HG LYS 24 HG2 LYS 24 1.336 -6.097 -11.922 185 1HD LYS 24 HD1 LYS 24 0.753 -4.810 -14.473 186 2HD LYS 24 HD2 LYS 24 2.425 -5.355 -14.336 187 1HE LYS 24 HE1 LYS 24 1.849 -7.514 -14.456 188 2HE LYS 24 HE2 LYS 24 0.487 -7.302 -13.356 189 1HZ LYS 24 HZ1 LYS 24 -0.867 -7.413 -15.085 190 2HZ LYS 24 HZ2 LYS 24 0.442 -7.582 -16.143 191 3HZ LYS 24 HZ3 LYS 24 -0.147 -6.041 -15.766 192 H GLU 25 HN GLU 25 -0.878 -4.724 -9.268 193 HA GLU 25 HA GLU 25 -3.355 -3.344 -9.461 194 1HB GLU 25 HB1 GLU 25 -2.222 -5.399 -7.595 195 2HB GLU 25 HB2 GLU 25 -3.740 -4.606 -7.197 196 1HG GLU 25 HG2 GLU 25 -4.330 -5.309 -9.679 197 2HG GLU 25 HG1 GLU 25 -3.115 -6.542 -9.349 198 H ILE 26 HN ILE 26 -0.538 -3.023 -7.469 199 HA ILE 26 HA ILE 26 -1.583 -1.449 -5.395 200 HB ILE 26 HB ILE 26 1.170 -1.801 -6.529 201 1HG1 ILE 26 HG12 ILE 26 0.396 -2.170 -3.665 202 2HG1 ILE 26 HG11 ILE 26 -0.172 -3.348 -4.845 203 1HG2 ILE 26 HG21 ILE 26 0.358 0.178 -4.410 204 2HG2 ILE 26 HG22 ILE 26 1.161 0.514 -5.944 205 3HG2 ILE 26 HG23 ILE 26 2.016 -0.363 -4.674 206 1HD1 ILE 26 HD11 ILE 26 1.963 -4.082 -5.330 207 2HD1 ILE 26 HD12 ILE 26 2.028 -3.788 -3.592 208 3HD1 ILE 26 HD13 ILE 26 2.718 -2.613 -4.712 209 H GLN 27 HN GLN 27 -0.164 -0.581 -8.525 210 HA GLN 27 HA GLN 27 -0.177 2.202 -8.167 211 1HB GLN 27 HB1 GLN 27 -0.527 0.646 -10.738 212 2HB GLN 27 HB2 GLN 27 -0.055 2.335 -10.612 213 1HG GLN 27 HG1 GLN 27 1.676 0.618 -9.057 214 2HG GLN 27 HG2 GLN 27 1.629 0.148 -10.755 215 1HE2 GLN 27 HE21 GLN 27 1.449 3.289 -9.129 216 2HE2 GLN 27 HE22 GLN 27 2.782 3.997 -9.971 217 H GLU 28 HN GLU 28 -2.635 -0.039 -9.327 218 HA GLU 28 HA GLU 28 -4.496 2.012 -10.051 219 1HB GLU 28 HB1 GLU 28 -5.216 -0.848 -9.456 220 2HB GLU 28 HB2 GLU 28 -5.995 0.264 -10.573 221 1HG GLU 28 HG2 GLU 28 -4.179 0.123 -12.103 222 2HG GLU 28 HG1 GLU 28 -3.193 -0.762 -10.939 223 H ARG 29 HN ARG 29 -3.712 0.346 -7.124 224 HA ARG 29 HA ARG 29 -6.217 1.064 -5.850 225 1HB ARG 29 HB2 ARG 29 -5.576 -0.310 -4.074 226 2HB ARG 29 HB1 ARG 29 -4.980 -1.131 -5.508 227 1HG ARG 29 HG1 ARG 29 -2.749 -0.318 -5.089 228 2HG ARG 29 HG2 ARG 29 -3.318 0.605 -3.693 229 1HD ARG 29 HD1 ARG 29 -4.136 -1.608 -2.757 230 2HD ARG 29 HD2 ARG 29 -3.223 -2.387 -4.047 231 HE ARG 29 HE ARG 29 -1.374 -2.115 -2.768 232 1HH1 ARG 29 HH22 ARG 29 -3.612 0.435 -1.952 233 2HH1 ARG 29 HH21 ARG 29 -2.579 1.123 -0.744 234 1HH2 ARG 29 HH12 ARG 29 -0.020 -1.216 -1.186 235 2HH2 ARG 29 HH11 ARG 29 -0.536 0.185 -0.311 236 H ILE 30 HN ILE 30 -3.160 2.498 -6.283 237 HA ILE 30 HA ILE 30 -2.758 3.762 -3.822 238 HB ILE 30 HB ILE 30 -2.050 4.694 -6.604 239 1HG1 ILE 30 HG12 ILE 30 -0.772 2.778 -6.071 240 2HG1 ILE 30 HG11 ILE 30 0.286 4.140 -5.736 241 1HG2 ILE 30 HG21 ILE 30 -0.513 5.891 -4.444 242 2HG2 ILE 30 HG22 ILE 30 -2.219 6.347 -4.407 243 3HG2 ILE 30 HG23 ILE 30 -1.259 6.639 -5.858 244 1HD1 ILE 30 HD11 ILE 30 -1.202 2.463 -3.739 245 2HD1 ILE 30 HD12 ILE 30 -0.338 3.946 -3.334 246 3HD1 ILE 30 HD13 ILE 30 0.542 2.564 -3.982 247 HA PRO 31 HA PRO 31 -6.167 6.556 -3.254 248 1HB PRO 31 HB2 PRO 31 -4.571 8.725 -2.410 249 2HB PRO 31 HB1 PRO 31 -5.377 7.543 -1.383 250 1HG PRO 31 HG2 PRO 31 -2.554 7.633 -2.317 251 2HG PRO 31 HG1 PRO 31 -3.214 7.035 -0.785 252 1HD PRO 31 HD1 PRO 31 -2.391 5.338 -2.669 253 2HD PRO 31 HD2 PRO 31 -3.853 5.000 -1.716 254 H GLU 32 HN GLU 32 -7.135 7.440 -4.947 255 HA GLU 32 HA GLU 32 -5.895 8.436 -7.226 256 1HB GLU 32 HB1 GLU 32 -8.663 9.024 -6.165 257 2HB GLU 32 HB2 GLU 32 -8.121 9.364 -7.802 258 1HG GLU 32 HG2 GLU 32 -7.589 6.869 -7.948 259 2HG GLU 32 HG1 GLU 32 -8.569 6.709 -6.491 260 H GLY 33 HN GLY 33 -5.896 9.884 -4.237 261 1HA GLY 33 HA1 GLY 33 -6.180 12.619 -5.129 262 2HA GLY 33 HA2 GLY 33 -5.731 12.087 -3.515 263 H THR 34 HN THR 34 -3.493 10.551 -4.057 264 HA THR 34 HA THR 34 -1.665 12.434 -5.385 265 HB THR 34 HB THR 34 -0.607 10.992 -3.030 266 HG1 THR 34 HG1 THR 34 -1.904 13.313 -2.341 267 1HG2 THR 34 HG21 THR 34 0.734 12.627 -4.288 268 2HG2 THR 34 HG22 THR 34 0.536 13.048 -2.587 269 3HG2 THR 34 HG23 THR 34 -0.411 13.885 -3.818 270 H GLU 35 HN GLU 35 0.533 10.600 -4.307 271 HA GLU 35 HA GLU 35 0.110 8.248 -6.010 272 1HB GLU 35 HB2 GLU 35 2.345 8.549 -7.004 273 2HB GLU 35 HB1 GLU 35 1.261 9.871 -7.411 274 1HG GLU 35 HG2 GLU 35 2.337 11.347 -5.928 275 2HG GLU 35 HG1 GLU 35 3.218 10.036 -5.143 276 H LEU 36 HN LEU 36 2.119 6.776 -5.783 277 HA LEU 36 HA LEU 36 2.289 6.108 -3.018 278 1HB LEU 36 HB1 LEU 36 3.877 4.316 -3.877 279 2HB LEU 36 HB2 LEU 36 2.229 4.275 -4.471 280 HG LEU 36 HG LEU 36 4.136 5.778 -6.150 281 1HD1 LEU 36 HD11 LEU 36 5.707 4.154 -5.922 282 2HD1 LEU 36 HD12 LEU 36 4.692 3.374 -7.135 283 3HD1 LEU 36 HD13 LEU 36 4.533 2.930 -5.436 284 1HD2 LEU 36 HD21 LEU 36 2.039 3.686 -6.711 285 2HD2 LEU 36 HD22 LEU 36 2.912 4.622 -7.925 286 3HD2 LEU 36 HD23 LEU 36 1.818 5.433 -6.805 287 H HIS 37 HN HIS 37 4.715 5.230 -2.438 288 HA HIS 37 HA HIS 37 6.560 7.495 -2.775 289 1HB HIS 37 HB1 HIS 37 5.433 7.640 -0.575 290 2HB HIS 37 HB2 HIS 37 6.000 6.025 -0.193 291 HD2 HIS 37 HD2 HIS 37 8.267 6.001 1.200 292 HE1 HIS 37 HE1 HIS 37 9.701 9.799 0.000 293 HE2 HIS 37 HE2 HIS 37 10.144 7.776 1.467 294 H LYS 38 HN LYS 38 6.552 4.447 -1.007 295 HA LYS 38 HA LYS 38 8.555 3.236 -2.717 296 1HB LYS 38 HB1 LYS 38 9.128 4.197 0.084 297 2HB LYS 38 HB2 LYS 38 10.038 2.883 -0.638 298 1HG LYS 38 HG1 LYS 38 9.841 5.684 -1.720 299 2HG LYS 38 HG2 LYS 38 11.206 5.014 -0.825 300 1HD LYS 38 HD2 LYS 38 10.626 3.242 -2.961 301 2HD LYS 38 HD1 LYS 38 10.677 4.880 -3.617 302 1HE LYS 38 HE2 LYS 38 12.881 3.916 -3.720 303 2HE LYS 38 HE1 LYS 38 12.867 5.211 -2.523 304 1HZ LYS 38 HZ1 LYS 38 13.157 3.768 -0.818 305 2HZ LYS 38 HZ2 LYS 38 13.921 2.862 -2.026 306 3HZ LYS 38 HZ3 LYS 38 12.331 2.501 -1.577 307 H ILE 39 HN ILE 39 7.992 1.154 -2.855 308 HA ILE 39 HA ILE 39 6.268 0.014 -0.813 309 HB ILE 39 HB ILE 39 7.129 -1.384 -3.322 310 1HG1 ILE 39 HG11 ILE 39 5.071 0.786 -2.937 311 2HG1 ILE 39 HG12 ILE 39 6.315 0.665 -4.174 312 1HG2 ILE 39 HG21 ILE 39 4.737 -1.566 -1.497 313 2HG2 ILE 39 HG22 ILE 39 6.001 -2.775 -1.734 314 3HG2 ILE 39 HG23 ILE 39 4.869 -2.416 -3.038 315 1HD1 ILE 39 HD11 ILE 39 4.942 -1.479 -4.850 316 2HD1 ILE 39 HD12 ILE 39 4.484 0.132 -5.402 317 3HD1 ILE 39 HD13 ILE 39 3.644 -0.604 -4.036 318 H ASP 40 HN ASP 40 6.631 -2.129 0.048 319 HA ASP 40 HA ASP 40 9.486 -2.840 0.238 320 1HB ASP 40 HB1 ASP 40 8.006 -1.731 2.261 321 2HB ASP 40 HB2 ASP 40 7.820 -3.452 2.581 322 H GLU 41 HN GLU 41 9.905 -4.873 -0.338 323 HA GLU 41 HA GLU 41 7.733 -6.775 -0.632 324 1HB GLU 41 HB1 GLU 41 10.619 -7.461 -1.076 325 2HB GLU 41 HB2 GLU 41 9.194 -8.071 -1.906 326 1HG GLU 41 HG1 GLU 41 9.236 -6.443 -3.435 327 2HG GLU 41 HG2 GLU 41 9.624 -5.201 -2.245 328 H GLU 42 HN GLU 42 7.381 -6.689 1.765 329 HA GLU 42 HA GLU 42 9.309 -8.261 3.307 330 1HB GLU 42 HB1 GLU 42 7.419 -6.154 3.922 331 2HB GLU 42 HB2 GLU 42 7.182 -7.541 4.976 332 1HG GLU 42 HG2 GLU 42 9.887 -7.280 5.024 333 2HG GLU 42 HG1 GLU 42 9.366 -5.600 4.874 334 HA PRO 43 HA PRO 43 6.567 -11.732 2.931 335 1HB PRO 43 HB1 PRO 43 8.018 -13.513 4.341 336 2HB PRO 43 HB2 PRO 43 8.499 -12.953 2.736 337 1HG PRO 43 HG2 PRO 43 9.614 -12.272 5.393 338 2HG PRO 43 HG1 PRO 43 10.401 -12.270 3.808 339 1HD PRO 43 HD1 PRO 43 9.387 -10.033 5.231 340 2HD PRO 43 HD2 PRO 43 10.022 -10.052 3.577 341 H ILE 44 HN ILE 44 5.201 -13.076 4.152 342 HA ILE 44 HA ILE 44 4.818 -12.228 6.947 343 HB ILE 44 HB ILE 44 2.492 -13.028 5.257 344 1HG1 ILE 44 HG12 ILE 44 3.743 -11.331 3.941 345 2HG1 ILE 44 HG11 ILE 44 2.172 -10.745 4.478 346 1HG2 ILE 44 HG21 ILE 44 2.685 -10.942 7.416 347 2HG2 ILE 44 HG22 ILE 44 2.393 -12.649 7.750 348 3HG2 ILE 44 HG23 ILE 44 1.239 -11.729 6.785 349 1HD1 ILE 44 HD11 ILE 44 3.774 -9.899 6.500 350 2HD1 ILE 44 HD12 ILE 44 3.332 -8.932 5.094 351 3HD1 ILE 44 HD13 ILE 44 4.869 -9.798 5.121 352 H ALA 45 HN ALA 45 2.985 -14.555 5.034 353 HA ALA 45 HA ALA 45 3.055 -16.518 7.079 354 1HB ALA 45 HB1 ALA 45 2.407 -17.407 4.346 355 2HB ALA 45 HB2 ALA 45 1.435 -16.077 4.977 356 3HB ALA 45 HB3 ALA 45 1.510 -17.606 5.852 357 H PHE 46 HN PHE 46 3.402 -18.801 5.201 358 HA PHE 46 HA PHE 46 6.160 -19.280 5.698 359 1HB PHE 46 HB2 PHE 46 5.773 -21.393 4.450 360 2HB PHE 46 HB1 PHE 46 4.581 -21.122 5.716 361 HD1 PHE 46 HD1 PHE 46 5.157 -21.369 2.132 362 HD2 PHE 46 HD2 PHE 46 2.276 -20.567 5.160 363 HE1 PHE 46 HE1 PHE 46 3.353 -21.655 0.486 364 HE2 PHE 46 HE2 PHE 46 0.466 -20.852 3.518 365 HZ PHE 46 HZ PHE 46 1.003 -21.396 1.177 366 H GLY 47 HN GLY 47 4.302 -18.242 2.922 367 1HA GLY 47 HA1 GLY 47 6.781 -17.501 1.577 368 2HA GLY 47 HA2 GLY 47 5.750 -18.648 0.736 369 H LEU 48 HN LEU 48 3.885 -16.555 2.583 370 HA LEU 48 HA LEU 48 3.077 -15.116 0.183 371 1HB LEU 48 HB2 LEU 48 1.785 -14.816 2.873 372 2HB LEU 48 HB1 LEU 48 1.081 -14.577 1.286 373 HG LEU 48 HG LEU 48 1.578 -17.138 2.760 374 1HD1 LEU 48 HD11 LEU 48 -0.640 -17.220 2.881 375 2HD1 LEU 48 HD12 LEU 48 -0.819 -16.893 1.157 376 3HD1 LEU 48 HD13 LEU 48 -0.652 -15.557 2.296 377 1HD2 LEU 48 HD21 LEU 48 2.600 -17.594 0.656 378 2HD2 LEU 48 HD22 LEU 48 1.272 -16.829 -0.217 379 3HD2 LEU 48 HD23 LEU 48 1.002 -18.340 0.651 380 H VAL 49 HN VAL 49 4.439 -13.481 -0.222 381 HA VAL 49 HA VAL 49 5.370 -11.778 1.936 382 HB VAL 49 HB VAL 49 6.040 -11.819 -1.007 383 1HG1 VAL 49 HG21 VAL 49 7.905 -10.370 0.650 384 2HG1 VAL 49 HG22 VAL 49 6.295 -9.654 0.733 385 3HG1 VAL 49 HG23 VAL 49 7.087 -9.864 -0.827 386 1HG2 VAL 49 HG11 VAL 49 8.286 -12.296 0.619 387 2HG2 VAL 49 HG12 VAL 49 7.460 -13.428 -0.449 388 3HG2 VAL 49 HG13 VAL 49 6.984 -13.306 1.244 389 H ALA 50 HN ALA 50 4.560 -9.868 2.431 390 HA ALA 50 HA ALA 50 2.479 -8.696 0.756 391 1HB ALA 50 HB1 ALA 50 2.114 -9.020 3.200 392 2HB ALA 50 HB2 ALA 50 1.911 -7.352 2.661 393 3HB ALA 50 HB3 ALA 50 3.387 -7.837 3.501 394 H LEU 51 HN LEU 51 2.478 -6.424 0.289 395 HA LEU 51 HA LEU 51 5.191 -5.294 0.078 396 1HB LEU 51 HB1 LEU 51 2.854 -5.266 -1.800 397 2HB LEU 51 HB2 LEU 51 4.019 -3.957 -1.848 398 HG LEU 51 HG LEU 51 5.817 -5.603 -2.282 399 1HD1 LEU 51 HD11 LEU 51 4.736 -7.525 -1.186 400 2HD1 LEU 51 HD12 LEU 51 5.279 -7.895 -2.823 401 3HD1 LEU 51 HD13 LEU 51 3.570 -7.598 -2.507 402 1HD2 LEU 51 HD21 LEU 51 5.472 -5.425 -4.482 403 2HD2 LEU 51 HD22 LEU 51 3.989 -4.582 -4.036 404 3HD2 LEU 51 HD23 LEU 51 3.946 -6.305 -4.409 405 H ASN 52 HN ASN 52 5.518 -3.581 1.294 406 HA ASN 52 HA ASN 52 3.257 -2.142 2.435 407 1HB ASN 52 HB1 ASN 52 6.158 -1.526 2.969 408 2HB ASN 52 HB2 ASN 52 4.767 -1.299 4.025 409 1HD2 ASN 52 HD22 ASN 52 3.665 -3.925 3.491 410 2HD2 ASN 52 HD21 ASN 52 4.664 -5.055 4.333 411 H VAL 53 HN VAL 53 2.487 -1.003 0.710 412 HA VAL 53 HA VAL 53 4.225 0.721 -0.817 413 HB VAL 53 HB VAL 53 1.217 0.602 -0.949 414 1HG1 VAL 53 HG21 VAL 53 2.467 2.491 -2.056 415 2HG1 VAL 53 HG22 VAL 53 1.450 1.521 -3.122 416 3HG1 VAL 53 HG23 VAL 53 3.197 1.280 -3.113 417 1HG2 VAL 53 HG11 VAL 53 1.254 -1.364 -1.991 418 2HG2 VAL 53 HG12 VAL 53 2.900 -1.544 -1.383 419 3HG2 VAL 53 HG13 VAL 53 2.622 -0.892 -2.999 420 H MET 54 HN MET 54 4.936 2.425 0.318 421 HA MET 54 HA MET 54 3.157 3.969 2.002 422 1HB MET 54 HB1 MET 54 6.056 4.337 1.216 423 2HB MET 54 HB2 MET 54 5.191 5.432 2.285 424 1HG MET 54 HG1 MET 54 5.563 4.126 4.027 425 2HG MET 54 HG2 MET 54 4.877 2.734 3.191 426 1HE MET 54 HE1 MET 54 8.036 0.894 4.190 427 2HE MET 54 HE2 MET 54 6.286 0.852 3.977 428 3HE MET 54 HE3 MET 54 7.001 1.911 5.193 429 H VAL 55 HN VAL 55 3.129 6.401 1.691 430 HA VAL 55 HA VAL 55 3.144 7.134 -1.143 431 HB VAL 55 HB VAL 55 0.954 8.028 -1.129 432 1HG1 VAL 55 HG11 VAL 55 0.866 5.729 -1.595 433 2HG1 VAL 55 HG12 VAL 55 -0.432 6.017 -0.437 434 3HG1 VAL 55 HG13 VAL 55 1.085 5.297 0.101 435 1HG2 VAL 55 HG21 VAL 55 1.067 7.611 1.830 436 2HG2 VAL 55 HG22 VAL 55 -0.483 7.690 0.995 437 3HG2 VAL 55 HG23 VAL 55 0.627 9.058 0.922 438 H VAL 56 HN VAL 56 4.046 9.050 -1.497 439 HA VAL 56 HA VAL 56 4.548 10.786 0.815 440 HB VAL 56 HB VAL 56 6.600 10.346 -0.196 441 1HG1 VAL 56 HG21 VAL 56 5.095 10.538 -2.765 442 2HG1 VAL 56 HG22 VAL 56 6.156 9.259 -2.174 443 3HG1 VAL 56 HG23 VAL 56 6.843 10.779 -2.746 444 1HG2 VAL 56 HG11 VAL 56 6.182 12.792 -1.783 445 2HG2 VAL 56 HG12 VAL 56 7.369 12.438 -0.527 446 3HG2 VAL 56 HG13 VAL 56 5.724 12.894 -0.082 447 H VAL 57 HN VAL 57 2.968 12.229 1.073 448 HA VAL 57 HA VAL 57 2.087 13.741 -1.296 449 HB VAL 57 HB VAL 57 -0.131 13.750 -0.648 450 1HG1 VAL 57 HG21 VAL 57 0.671 11.087 0.492 451 2HG1 VAL 57 HG22 VAL 57 0.752 11.445 -1.232 452 3HG1 VAL 57 HG23 VAL 57 -0.797 11.505 -0.391 453 1HG2 VAL 57 HG11 VAL 57 -0.790 12.889 1.704 454 2HG2 VAL 57 HG12 VAL 57 -0.148 14.523 1.537 455 3HG2 VAL 57 HG13 VAL 57 0.892 13.221 2.114 456 H GLY 58 HN GLY 58 1.141 15.917 -0.680 457 1HA GLY 58 HA2 GLY 58 1.727 17.106 1.805 458 2HA GLY 58 HA1 GLY 58 3.053 17.428 0.699 459 H ASP 59 HN ASP 59 2.216 18.187 -1.558 460 HA ASP 59 HA ASP 59 0.677 20.571 -1.057 461 1HB ASP 59 HB2 ASP 59 2.728 20.374 -2.590 462 2HB ASP 59 HB1 ASP 59 1.638 19.625 -3.754 463 H ALA 60 HN ALA 60 -0.107 17.445 -1.738 464 HA ALA 60 HA ALA 60 -2.187 17.736 -3.642 465 1HB ALA 60 HB1 ALA 60 -2.068 15.589 -1.550 466 2HB ALA 60 HB2 ALA 60 -0.973 15.611 -2.933 467 3HB ALA 60 HB3 ALA 60 -2.715 15.499 -3.189 468 H GLU 61 HN GLU 61 -4.154 16.198 -1.992 469 HA GLU 61 HA GLU 61 -5.069 18.169 -0.056 470 1HB GLU 61 HB1 GLU 61 -7.414 17.683 -1.379 471 2HB GLU 61 HB2 GLU 61 -6.437 19.133 -1.563 472 1HG GLU 61 HG1 GLU 61 -5.378 18.239 -3.520 473 2HG GLU 61 HG2 GLU 61 -6.177 16.683 -3.290 474 H GLY 62 HN GLY 62 -7.674 17.164 0.230 475 1HA GLY 62 HA1 GLY 62 -7.101 14.723 1.675 476 2HA GLY 62 HA2 GLY 62 -8.636 15.584 1.641 477 H GLY 63 HN GLY 63 -7.289 15.070 -1.420 478 1HA GLY 63 HA2 GLY 63 -9.440 13.401 -2.247 479 2HA GLY 63 HA1 GLY 63 -8.041 13.842 -3.214 480 H THR 64 HN THR 64 -6.714 12.626 -0.516 481 HA THR 64 HA THR 64 -6.056 10.138 -1.774 482 HB THR 64 HB THR 64 -4.513 9.817 -0.055 483 HG1 THR 64 HG1 THR 64 -6.436 11.037 1.494 484 1HG2 THR 64 HG21 THR 64 -3.786 11.762 -1.183 485 2HG2 THR 64 HG22 THR 64 -3.548 12.037 0.541 486 3HG2 THR 64 HG23 THR 64 -4.914 12.781 -0.290 487 H GLU 65 HN GLU 65 -8.680 11.160 -0.051 488 HA GLU 65 HA GLU 65 -9.315 9.049 1.676 489 1HB GLU 65 HB2 GLU 65 -11.687 9.729 1.235 490 2HB GLU 65 HB1 GLU 65 -10.631 11.053 1.700 491 1HG GLU 65 HG2 GLU 65 -10.464 11.778 -0.594 492 2HG GLU 65 HG1 GLU 65 -11.425 10.399 -1.125 493 H ALA 66 HN ALA 66 -9.232 9.302 -1.724 494 HA ALA 66 HA ALA 66 -11.021 7.343 -2.549 495 1HB ALA 66 HB1 ALA 66 -9.964 8.833 -4.127 496 2HB ALA 66 HB2 ALA 66 -9.614 7.163 -4.574 497 3HB ALA 66 HB3 ALA 66 -8.382 8.139 -3.774 498 H ALA 67 HN ALA 67 -7.936 7.042 -1.006 499 HA ALA 67 HA ALA 67 -7.248 4.428 -1.746 500 1HB ALA 67 HB1 ALA 67 -6.528 6.273 0.445 501 2HB ALA 67 HB2 ALA 67 -5.498 5.350 -0.649 502 3HB ALA 67 HB3 ALA 67 -6.241 4.557 0.741 503 H GLU 68 HN GLU 68 -8.932 5.564 1.187 504 HA GLU 68 HA GLU 68 -9.629 3.032 2.167 505 1HB GLU 68 HB1 GLU 68 -10.928 5.736 2.519 506 2HB GLU 68 HB2 GLU 68 -11.454 4.300 3.385 507 1HG GLU 68 HG2 GLU 68 -8.737 4.351 3.832 508 2HG GLU 68 HG1 GLU 68 -9.197 6.052 3.880 509 H GLU 69 HN GLU 69 -11.135 5.122 -0.212 510 HA GLU 69 HA GLU 69 -13.635 3.837 -0.393 511 1HB GLU 69 HB1 GLU 69 -12.169 5.860 -1.847 512 2HB GLU 69 HB2 GLU 69 -12.978 4.768 -2.962 513 1HG GLU 69 HG2 GLU 69 -15.105 5.210 -1.929 514 2HG GLU 69 HG1 GLU 69 -14.334 6.194 -0.685 515 H SER 70 HN SER 70 -10.641 3.428 -2.252 516 HA SER 70 HA SER 70 -11.568 1.300 -3.864 517 1HB SER 70 HB2 SER 70 -9.410 1.194 -4.702 518 2HB SER 70 HB1 SER 70 -9.435 2.842 -4.072 519 HG SER 70 HG SER 70 -7.870 2.279 -2.809 520 H LEU 71 HN LEU 71 -10.515 1.491 -0.605 521 HA LEU 71 HA LEU 71 -9.658 -1.202 -0.289 522 1HB LEU 71 HB2 LEU 71 -9.931 1.143 1.333 523 2HB LEU 71 HB1 LEU 71 -10.617 -0.226 2.180 524 HG LEU 71 HG LEU 71 -8.287 0.104 2.803 525 1HD1 LEU 71 HD11 LEU 71 -8.250 -2.335 1.083 526 2HD1 LEU 71 HD12 LEU 71 -9.377 -2.224 2.435 527 3HD1 LEU 71 HD13 LEU 71 -7.640 -2.106 2.722 528 1HD2 LEU 71 HD21 LEU 71 -6.529 -0.372 1.054 529 2HD2 LEU 71 HD22 LEU 71 -7.352 1.182 0.926 530 3HD2 LEU 71 HD23 LEU 71 -7.795 -0.141 -0.152 531 H SER 72 HN SER 72 -12.730 0.400 -0.246 532 HA SER 72 HA SER 72 -14.227 -1.541 1.157 533 1HB SER 72 HB2 SER 72 -15.839 -0.008 0.881 534 2HB SER 72 HB1 SER 72 -14.730 0.928 -0.121 535 HG SER 72 HG SER 72 -15.637 0.135 -1.904 536 H GLY 73 HN GLY 73 -12.748 -1.608 -1.878 537 1HA GLY 73 HA2 GLY 73 -13.989 -4.177 -2.477 538 2HA GLY 73 HA1 GLY 73 -14.195 -2.914 -3.683 539 H ILE 74 HN ILE 74 -11.335 -3.055 -1.764 540 HA ILE 74 HA ILE 74 -9.653 -3.226 -4.058 541 HB ILE 74 HB ILE 74 -9.261 -2.056 -1.755 542 1HG1 ILE 74 HG11 ILE 74 -6.799 -3.439 -2.705 543 2HG1 ILE 74 HG12 ILE 74 -7.691 -2.459 -3.864 544 1HG2 ILE 74 HG21 ILE 74 -9.328 -4.567 -0.779 545 2HG2 ILE 74 HG22 ILE 74 -8.495 -3.223 0.001 546 3HG2 ILE 74 HG23 ILE 74 -7.592 -4.353 -1.006 547 1HD1 ILE 74 HD11 ILE 74 -5.764 -1.545 -2.172 548 2HD1 ILE 74 HD12 ILE 74 -7.244 -1.129 -1.307 549 3HD1 ILE 74 HD13 ILE 74 -6.990 -0.550 -2.954 550 H GLU 75 HN GLU 75 -7.542 -4.825 -3.153 551 HA GLU 75 HA GLU 75 -8.118 -7.326 -4.187 552 1HB GLU 75 HB1 GLU 75 -6.007 -7.999 -2.831 553 2HB GLU 75 HB2 GLU 75 -5.850 -6.757 -4.071 554 1HG GLU 75 HG1 GLU 75 -6.525 -5.467 -1.651 555 2HG GLU 75 HG2 GLU 75 -5.218 -6.601 -1.316 556 H GLY 76 HN GLY 76 -10.022 -8.152 -3.318 557 1HA GLY 76 HA1 GLY 76 -10.655 -8.399 -0.613 558 2HA GLY 76 HA2 GLY 76 -11.309 -9.406 -1.895 559 H VAL 77 HN VAL 77 -8.515 -10.298 -2.567 560 HA VAL 77 HA VAL 77 -8.441 -12.492 -0.663 561 HB VAL 77 HB VAL 77 -8.167 -12.697 -3.217 562 1HG1 VAL 77 HG11 VAL 77 -5.312 -12.027 -2.540 563 2HG1 VAL 77 HG12 VAL 77 -6.417 -10.946 -3.389 564 3HG1 VAL 77 HG13 VAL 77 -5.958 -12.485 -4.116 565 1HG2 VAL 77 HG21 VAL 77 -7.911 -14.624 -1.877 566 2HG2 VAL 77 HG22 VAL 77 -6.383 -14.048 -1.206 567 3HG2 VAL 77 HG23 VAL 77 -6.470 -14.561 -2.893 568 H SER 78 HN SER 78 -6.522 -9.765 -1.678 569 HA SER 78 HA SER 78 -4.425 -10.396 0.238 570 1HB SER 78 HB2 SER 78 -4.215 -7.862 -1.240 571 2HB SER 78 HB1 SER 78 -3.049 -9.180 -1.109 572 HG SER 78 HG SER 78 -3.646 -9.732 -3.031 573 H ASN 79 HN ASN 79 -5.427 -9.992 2.229 574 HA ASN 79 HA ASN 79 -6.712 -7.459 2.728 575 1HB ASN 79 HB2 ASN 79 -7.580 -9.039 4.172 576 2HB ASN 79 HB1 ASN 79 -6.029 -9.827 4.415 577 1HD2 ASN 79 HD21 ASN 79 -6.720 -6.326 4.781 578 2HD2 ASN 79 HD22 ASN 79 -6.382 -6.294 6.472 579 H ILE 80 HN ILE 80 -5.801 -5.670 3.326 580 HA ILE 80 HA ILE 80 -2.914 -5.655 3.599 581 HB ILE 80 HB ILE 80 -4.787 -3.323 3.289 582 1HG1 ILE 80 HG11 ILE 80 -3.625 -3.720 0.827 583 2HG1 ILE 80 HG12 ILE 80 -3.963 -5.365 1.359 584 1HG2 ILE 80 HG21 ILE 80 -2.026 -3.522 3.732 585 2HG2 ILE 80 HG22 ILE 80 -2.974 -2.080 3.372 586 3HG2 ILE 80 HG23 ILE 80 -2.243 -3.005 2.061 587 1HD1 ILE 80 HD11 ILE 80 -6.034 -5.092 0.652 588 2HD1 ILE 80 HD12 ILE 80 -5.751 -3.380 0.333 589 3HD1 ILE 80 HD13 ILE 80 -6.270 -3.904 1.936 590 H GLU 81 HN GLU 81 -1.826 -4.517 5.177 591 HA GLU 81 HA GLU 81 -3.209 -4.193 7.717 592 1HB GLU 81 HB2 GLU 81 -0.935 -5.300 7.580 593 2HB GLU 81 HB1 GLU 81 -0.280 -3.743 7.094 594 1HG GLU 81 HG2 GLU 81 -0.778 -2.772 9.186 595 2HG GLU 81 HG1 GLU 81 -1.787 -4.138 9.661 596 H VAL 82 HN VAL 82 -4.469 -2.564 6.546 597 HA VAL 82 HA VAL 82 -3.201 -0.130 5.725 598 HB VAL 82 HB VAL 82 -6.141 -0.787 6.067 599 1HG1 VAL 82 HG21 VAL 82 -5.627 1.133 4.027 600 2HG1 VAL 82 HG22 VAL 82 -4.791 1.661 5.489 601 3HG1 VAL 82 HG23 VAL 82 -6.529 1.350 5.527 602 1HG2 VAL 82 HG11 VAL 82 -4.196 -1.308 3.889 603 2HG2 VAL 82 HG12 VAL 82 -5.842 -0.850 3.451 604 3HG2 VAL 82 HG13 VAL 82 -5.561 -2.277 4.454 605 H THR 83 HN THR 83 -2.290 -0.221 8.101 606 HA THR 83 HA THR 83 -3.922 1.649 9.665 607 HB THR 83 HB THR 83 -2.240 -0.431 11.031 608 HG1 THR 83 HG1 THR 83 -4.565 -0.842 9.667 609 1HG2 THR 83 HG21 THR 83 -4.146 -0.143 12.725 610 2HG2 THR 83 HG22 THR 83 -4.502 1.339 11.838 611 3HG2 THR 83 HG23 THR 83 -2.923 1.122 12.595 612 H ASP 84 HN ASP 84 -1.043 1.164 8.062 613 HA ASP 84 HA ASP 84 0.637 2.478 10.037 614 1HB ASP 84 HB2 ASP 84 1.153 1.430 7.260 615 2HB ASP 84 HB1 ASP 84 2.362 2.317 8.183 616 H VAL 85 HN VAL 85 0.863 4.602 10.199 617 HA VAL 85 HA VAL 85 0.620 6.279 7.836 618 HB VAL 85 HB VAL 85 -1.664 6.026 8.920 619 1HG1 VAL 85 HG11 VAL 85 -0.439 6.430 11.259 620 2HG1 VAL 85 HG12 VAL 85 -2.137 6.819 10.984 621 3HG1 VAL 85 HG13 VAL 85 -0.916 8.089 10.899 622 1HG2 VAL 85 HG21 VAL 85 -0.289 8.567 8.241 623 2HG2 VAL 85 HG22 VAL 85 -1.913 8.660 8.920 624 3HG2 VAL 85 HG23 VAL 85 -1.630 7.754 7.435 625 H ARG 86 HN ARG 86 1.933 7.987 7.875 626 HA ARG 86 HA ARG 86 3.155 8.817 10.403 627 1HB ARG 86 HB2 ARG 86 4.600 8.574 7.799 628 2HB ARG 86 HB1 ARG 86 5.296 8.886 9.378 629 1HG ARG 86 HG1 ARG 86 5.755 6.701 9.176 630 2HG ARG 86 HG2 ARG 86 4.185 6.570 9.941 631 1HD ARG 86 HD1 ARG 86 3.277 6.467 7.537 632 2HD ARG 86 HD2 ARG 86 4.944 6.129 7.073 633 HE ARG 86 HE ARG 86 3.119 4.347 8.393 634 1HH1 ARG 86 HH21 ARG 86 6.475 5.117 7.860 635 2HH1 ARG 86 HH22 ARG 86 7.030 3.509 8.188 636 1HH2 ARG 86 HH12 ARG 86 3.841 2.227 8.827 637 2HH2 ARG 86 HH11 ARG 86 5.532 1.867 8.736 638 H ARG 87 HN ARG 87 1.828 10.608 10.469 639 HA ARG 87 HA ARG 87 1.764 12.487 8.269 640 1HB ARG 87 HB1 ARG 87 0.676 12.822 11.068 641 2HB ARG 87 HB2 ARG 87 0.269 13.791 9.659 642 1HG ARG 87 HG2 ARG 87 -0.239 11.068 9.035 643 2HG ARG 87 HG1 ARG 87 -0.972 11.428 10.599 644 1HD ARG 87 HD2 ARG 87 -1.715 13.619 9.248 645 2HD ARG 87 HD1 ARG 87 -1.618 12.473 7.911 646 HE ARG 87 HE ARG 87 -3.507 11.460 8.700 647 1HH1 ARG 87 HH12 ARG 87 -2.143 13.417 11.239 648 2HH1 ARG 87 HH11 ARG 87 -3.478 13.179 12.316 649 1HH2 ARG 87 HH21 ARG 87 -5.269 11.140 10.113 650 2HH2 ARG 87 HH22 ARG 87 -5.254 11.884 11.676 651 H LEU 88 HN LEU 88 4.038 12.972 8.141 652 HA LEU 88 HA LEU 88 5.288 14.295 10.391 653 1HB LEU 88 HB1 LEU 88 6.725 14.682 7.940 654 2HB LEU 88 HB2 LEU 88 7.200 13.810 9.382 655 HG LEU 88 HG LEU 88 5.490 12.608 7.212 656 1HD1 LEU 88 HD11 LEU 88 8.410 12.062 7.594 657 2HD1 LEU 88 HD12 LEU 88 7.852 13.372 6.549 658 3HD1 LEU 88 HD13 LEU 88 7.383 11.704 6.205 659 1HD2 LEU 88 HD21 LEU 88 5.480 10.724 8.420 660 2HD2 LEU 88 HD22 LEU 88 5.852 11.795 9.775 661 3HD2 LEU 88 HD23 LEU 88 7.152 10.932 8.948 662 H MET 89 HN MET 89 4.054 16.134 10.739 663 HA MET 89 HA MET 89 3.768 18.041 8.546 664 1HB MET 89 HB1 MET 89 2.403 19.328 10.228 665 2HB MET 89 HB2 MET 89 1.765 17.745 9.807 666 1HG MET 89 HG1 MET 89 1.954 16.985 11.894 667 2HG MET 89 HG2 MET 89 3.550 17.704 12.112 668 1HE MET 89 HE1 MET 89 3.671 20.234 11.759 669 2HE MET 89 HE2 MET 89 3.482 20.759 13.432 670 3HE MET 89 HE3 MET 89 2.411 21.393 12.183 Start of MODEL 16 1 1H MET 1 HT1 MET 1 8.893 14.984 7.977 2 2H MET 1 HT2 MET 1 8.947 15.278 9.667 3 3H MET 1 HT3 MET 1 10.355 14.748 8.842 4 HA MET 1 HA MET 1 10.358 17.095 9.392 5 1HB MET 1 HB1 MET 1 11.292 15.766 7.246 6 2HB MET 1 HB2 MET 1 10.277 16.948 6.432 7 1HG MET 1 HG1 MET 1 11.707 18.407 8.318 8 2HG MET 1 HG2 MET 1 12.866 17.264 7.641 9 1HE MET 1 HE1 MET 1 13.163 16.812 5.287 10 2HE MET 1 HE2 MET 1 14.268 18.188 5.266 11 3HE MET 1 HE3 MET 1 13.065 18.003 3.990 12 H GLY 2 HN GLY 2 8.259 16.553 6.552 13 1HA GLY 2 HA2 GLY 2 6.246 18.339 7.599 14 2HA GLY 2 HA1 GLY 2 7.152 19.012 6.249 15 H ASP 3 HN ASP 3 7.204 15.813 5.783 16 HA ASP 3 HA ASP 3 5.007 15.926 3.856 17 1HB ASP 3 HB2 ASP 3 6.068 13.965 2.826 18 2HB ASP 3 HB1 ASP 3 7.207 15.299 2.985 19 H VAL 4 HN VAL 4 3.360 14.444 3.828 20 HA VAL 4 HA VAL 4 3.011 12.881 6.288 21 HB VAL 4 HB VAL 4 0.836 13.163 4.264 22 1HG1 VAL 4 HG21 VAL 4 0.313 11.756 6.077 23 2HG1 VAL 4 HG22 VAL 4 -0.497 13.286 6.419 24 3HG1 VAL 4 HG23 VAL 4 1.004 12.879 7.249 25 1HG2 VAL 4 HG11 VAL 4 0.150 15.258 5.584 26 2HG2 VAL 4 HG12 VAL 4 1.407 15.423 4.358 27 3HG2 VAL 4 HG13 VAL 4 1.845 15.338 6.064 28 H VAL 5 HN VAL 5 3.997 10.933 6.004 29 HA VAL 5 HA VAL 5 3.565 9.526 3.462 30 HB VAL 5 HB VAL 5 5.639 9.248 5.619 31 1HG1 VAL 5 HG11 VAL 5 6.347 7.344 3.794 32 2HG1 VAL 5 HG12 VAL 5 4.598 7.133 3.883 33 3HG1 VAL 5 HG13 VAL 5 5.574 7.023 5.349 34 1HG2 VAL 5 HG21 VAL 5 6.733 9.127 3.040 35 2HG2 VAL 5 HG22 VAL 5 6.801 10.473 4.177 36 3HG2 VAL 5 HG23 VAL 5 5.500 10.388 2.989 37 H ALA 6 HN ALA 6 1.966 8.099 3.395 38 HA ALA 6 HA ALA 6 1.133 6.724 5.854 39 1HB ALA 6 HB1 ALA 6 -0.345 7.868 3.816 40 2HB ALA 6 HB2 ALA 6 -0.950 6.754 5.042 41 3HB ALA 6 HB3 ALA 6 -0.429 6.141 3.472 42 H THR 7 HN THR 7 0.578 4.334 5.562 43 HA THR 7 HA THR 7 2.204 3.062 3.502 44 HB THR 7 HB THR 7 2.459 2.204 6.371 45 HG1 THR 7 HG1 THR 7 3.603 3.986 6.474 46 1HG2 THR 7 HG21 THR 7 4.569 1.167 5.450 47 2HG2 THR 7 HG22 THR 7 3.887 1.454 3.846 48 3HG2 THR 7 HG23 THR 7 3.043 0.407 4.994 49 H ILE 8 HN ILE 8 1.332 1.396 2.619 50 HA ILE 8 HA ILE 8 -0.990 0.086 3.879 51 HB ILE 8 HB ILE 8 -0.592 0.413 0.913 52 1HG1 ILE 8 HG12 ILE 8 -0.607 2.631 2.262 53 2HG1 ILE 8 HG11 ILE 8 -1.683 2.480 0.878 54 1HG2 ILE 8 HG21 ILE 8 -2.319 -0.981 0.983 55 2HG2 ILE 8 HG22 ILE 8 -3.261 0.449 1.413 56 3HG2 ILE 8 HG23 ILE 8 -2.663 -0.630 2.676 57 1HD1 ILE 8 HD11 ILE 8 -3.525 2.651 2.137 58 2HD1 ILE 8 HD12 ILE 8 -2.429 3.370 3.316 59 3HD1 ILE 8 HD13 ILE 8 -2.857 1.664 3.436 60 H LYS 9 HN LYS 9 -0.266 -1.912 4.498 61 HA LYS 9 HA LYS 9 1.686 -3.320 2.831 62 1HB LYS 9 HB1 LYS 9 0.823 -4.624 5.305 63 2HB LYS 9 HB2 LYS 9 2.439 -4.320 4.687 64 1HG LYS 9 HG2 LYS 9 1.082 -1.899 5.577 65 2HG LYS 9 HG1 LYS 9 1.279 -3.099 6.850 66 1HD LYS 9 HD2 LYS 9 3.550 -2.280 5.071 67 2HD LYS 9 HD1 LYS 9 3.147 -1.403 6.548 68 1HE LYS 9 HE2 LYS 9 3.590 -4.370 6.559 69 2HE LYS 9 HE1 LYS 9 4.937 -3.238 6.682 70 1HZ LYS 9 HZ1 LYS 9 2.794 -3.790 8.604 71 2HZ LYS 9 HZ2 LYS 9 3.454 -2.233 8.563 72 3HZ LYS 9 HZ3 LYS 9 4.449 -3.564 8.871 73 H VAL 10 HN VAL 10 0.493 -4.177 1.159 74 HA VAL 10 HA VAL 10 -1.883 -5.735 1.778 75 HB VAL 10 HB VAL 10 -2.599 -5.283 -0.284 76 1HG1 VAL 10 HG21 VAL 10 -0.860 -3.275 0.503 77 2HG1 VAL 10 HG22 VAL 10 -2.103 -3.164 -0.746 78 3HG1 VAL 10 HG23 VAL 10 -0.445 -3.570 -1.187 79 1HG2 VAL 10 HG11 VAL 10 -1.499 -5.778 -2.308 80 2HG2 VAL 10 HG12 VAL 10 -1.000 -7.030 -1.170 81 3HG2 VAL 10 HG13 VAL 10 0.094 -5.701 -1.552 82 H MET 11 HN MET 11 -2.098 -7.914 1.659 83 HA MET 11 HA MET 11 0.037 -9.498 0.488 84 1HB MET 11 HB2 MET 11 1.011 -10.102 2.396 85 2HB MET 11 HB1 MET 11 -0.066 -9.026 3.273 86 1HG MET 11 HG1 MET 11 -0.956 -10.761 4.296 87 2HG MET 11 HG2 MET 11 -1.507 -11.398 2.751 88 1HE MET 11 HE1 MET 11 -0.547 -14.574 3.266 89 2HE MET 11 HE2 MET 11 -1.625 -13.380 3.991 90 3HE MET 11 HE3 MET 11 -0.337 -14.105 4.954 91 HA PRO 12 HA PRO 12 -3.641 -11.742 -0.767 92 1HB PRO 12 HB1 PRO 12 -1.666 -13.501 -2.074 93 2HB PRO 12 HB2 PRO 12 -2.971 -12.554 -2.791 94 1HG PRO 12 HG1 PRO 12 -0.417 -11.852 -3.126 95 2HG PRO 12 HG2 PRO 12 -1.685 -10.628 -2.913 96 1HD PRO 12 HD2 PRO 12 0.254 -11.714 -0.885 97 2HD PRO 12 HD1 PRO 12 -0.191 -10.025 -1.216 98 H GLU 13 HN GLU 13 -4.625 -13.156 0.516 99 HA GLU 13 HA GLU 13 -3.377 -14.700 2.480 100 1HB GLU 13 HB1 GLU 13 -6.066 -14.295 1.491 101 2HB GLU 13 HB2 GLU 13 -5.800 -15.983 1.900 102 1HG GLU 13 HG2 GLU 13 -4.921 -15.180 4.122 103 2HG GLU 13 HG1 GLU 13 -5.537 -13.586 3.688 104 H SER 14 HN SER 14 -4.082 -15.402 -0.858 105 HA SER 14 HA SER 14 -3.705 -18.233 -0.629 106 1HB SER 14 HB1 SER 14 -4.253 -18.327 -2.855 107 2HB SER 14 HB2 SER 14 -4.910 -16.733 -2.491 108 HG SER 14 HG SER 14 -3.526 -16.846 -4.380 109 HA PRO 15 HA PRO 15 0.701 -18.451 -0.880 110 1HB PRO 15 HB2 PRO 15 1.030 -20.761 -2.277 111 2HB PRO 15 HB1 PRO 15 0.542 -20.724 -0.580 112 1HG PRO 15 HG1 PRO 15 -1.143 -21.061 -3.031 113 2HG PRO 15 HG2 PRO 15 -1.230 -21.928 -1.487 114 1HD PRO 15 HD2 PRO 15 -2.921 -19.913 -2.116 115 2HD PRO 15 HD1 PRO 15 -2.387 -20.221 -0.451 116 H ASP 16 HN ASP 16 -1.323 -17.995 -3.523 117 HA ASP 16 HA ASP 16 0.837 -17.862 -5.489 118 1HB ASP 16 HB2 ASP 16 -1.799 -18.600 -5.721 119 2HB ASP 16 HB1 ASP 16 -1.832 -16.940 -6.307 120 H VAL 17 HN VAL 17 0.914 -16.068 -3.288 121 HA VAL 17 HA VAL 17 -0.134 -13.537 -3.984 122 HB VAL 17 HB VAL 17 0.259 -13.319 -1.817 123 1HG1 VAL 17 HG11 VAL 17 2.367 -14.662 -0.830 124 2HG1 VAL 17 HG12 VAL 17 1.966 -15.651 -2.236 125 3HG1 VAL 17 HG13 VAL 17 0.739 -15.326 -1.009 126 1HG2 VAL 17 HG21 VAL 17 3.184 -12.973 -2.384 127 2HG2 VAL 17 HG22 VAL 17 2.202 -12.196 -1.140 128 3HG2 VAL 17 HG23 VAL 17 1.975 -11.772 -2.838 129 H ASP 18 HN ASP 18 0.418 -13.204 -6.111 130 HA ASP 18 HA ASP 18 3.153 -13.125 -7.017 131 1HB ASP 18 HB1 ASP 18 0.538 -12.267 -8.261 132 2HB ASP 18 HB2 ASP 18 2.093 -12.040 -9.058 133 H LEU 19 HN LEU 19 4.332 -11.629 -5.911 134 HA LEU 19 HA LEU 19 3.336 -9.156 -5.006 135 1HB LEU 19 HB2 LEU 19 5.467 -8.718 -4.218 136 2HB LEU 19 HB1 LEU 19 5.411 -10.468 -4.230 137 HG LEU 19 HG LEU 19 6.458 -9.902 -6.707 138 1HD1 LEU 19 HD11 LEU 19 8.142 -8.241 -6.469 139 2HD1 LEU 19 HD12 LEU 19 7.768 -8.019 -4.759 140 3HD1 LEU 19 HD13 LEU 19 6.611 -7.505 -5.990 141 1HD2 LEU 19 HD21 LEU 19 8.058 -10.327 -4.193 142 2HD2 LEU 19 HD22 LEU 19 8.494 -10.789 -5.837 143 3HD2 LEU 19 HD23 LEU 19 7.161 -11.600 -5.018 144 H GLU 20 HN GLU 20 5.250 -9.983 -7.893 145 HA GLU 20 HA GLU 20 5.488 -7.313 -8.788 146 1HB GLU 20 HB1 GLU 20 7.043 -8.809 -9.685 147 2HB GLU 20 HB2 GLU 20 5.814 -9.986 -10.119 148 1HG GLU 20 HG1 GLU 20 6.331 -9.136 -12.173 149 2HG GLU 20 HG2 GLU 20 4.994 -8.079 -11.719 150 H ALA 21 HN ALA 21 3.111 -9.833 -9.339 151 HA ALA 21 HA ALA 21 1.657 -8.389 -11.339 152 1HB ALA 21 HB1 ALA 21 0.138 -10.111 -11.319 153 2HB ALA 21 HB2 ALA 21 0.311 -10.383 -9.584 154 3HB ALA 21 HB3 ALA 21 1.568 -10.935 -10.692 155 H LEU 22 HN LEU 22 1.610 -8.658 -7.875 156 HA LEU 22 HA LEU 22 -0.746 -7.116 -7.422 157 1HB LEU 22 HB2 LEU 22 1.141 -8.568 -5.872 158 2HB LEU 22 HB1 LEU 22 1.097 -6.939 -5.237 159 HG LEU 22 HG LEU 22 -1.232 -8.843 -5.504 160 1HD1 LEU 22 HD11 LEU 22 0.084 -7.639 -3.076 161 2HD1 LEU 22 HD12 LEU 22 0.309 -9.293 -3.647 162 3HD1 LEU 22 HD13 LEU 22 -1.277 -8.762 -3.086 163 1HD2 LEU 22 HD21 LEU 22 -2.611 -7.140 -4.505 164 2HD2 LEU 22 HD22 LEU 22 -1.894 -6.514 -5.992 165 3HD2 LEU 22 HD23 LEU 22 -1.243 -6.030 -4.426 166 H LYS 23 HN LYS 23 2.547 -6.427 -8.146 167 HA LYS 23 HA LYS 23 2.842 -3.875 -7.035 168 1HB LYS 23 HB2 LYS 23 4.233 -5.553 -8.933 169 2HB LYS 23 HB1 LYS 23 4.211 -3.890 -9.499 170 1HG LYS 23 HG2 LYS 23 5.970 -3.544 -8.207 171 2HG LYS 23 HG1 LYS 23 4.887 -3.683 -6.821 172 1HD LYS 23 HD2 LYS 23 5.587 -5.784 -6.315 173 2HD LYS 23 HD1 LYS 23 5.920 -6.194 -8.000 174 1HE LYS 23 HE2 LYS 23 7.927 -5.959 -6.459 175 2HE LYS 23 HE1 LYS 23 7.982 -5.071 -7.980 176 1HZ LYS 23 HZ1 LYS 23 7.159 -3.885 -5.386 177 2HZ LYS 23 HZ2 LYS 23 7.402 -3.065 -6.846 178 3HZ LYS 23 HZ3 LYS 23 8.715 -3.762 -6.037 179 H LYS 24 HN LYS 24 1.581 -4.946 -10.151 180 HA LYS 24 HA LYS 24 1.102 -2.326 -11.163 181 1HB LYS 24 HB1 LYS 24 -0.519 -4.626 -12.131 182 2HB LYS 24 HB2 LYS 24 0.279 -3.350 -13.039 183 1HG LYS 24 HG2 LYS 24 2.007 -4.669 -13.453 184 2HG LYS 24 HG1 LYS 24 2.252 -4.962 -11.739 185 1HD LYS 24 HD1 LYS 24 1.900 -7.080 -12.739 186 2HD LYS 24 HD2 LYS 24 0.410 -6.675 -11.883 187 1HE LYS 24 HE1 LYS 24 -0.149 -5.631 -14.294 188 2HE LYS 24 HE2 LYS 24 0.927 -6.942 -14.775 189 1HZ LYS 24 HZ1 LYS 24 -1.061 -7.717 -12.843 190 2HZ LYS 24 HZ2 LYS 24 -0.600 -8.473 -14.285 191 3HZ LYS 24 HZ3 LYS 24 -1.715 -7.202 -14.315 192 H GLU 25 HN GLU 25 -0.833 -4.696 -9.416 193 HA GLU 25 HA GLU 25 -3.299 -3.284 -9.641 194 1HB GLU 25 HB1 GLU 25 -2.533 -5.233 -7.465 195 2HB GLU 25 HB2 GLU 25 -4.149 -4.846 -8.041 196 1HG GLU 25 HG2 GLU 25 -2.290 -5.904 -10.065 197 2HG GLU 25 HG1 GLU 25 -2.766 -7.025 -8.789 198 H ILE 26 HN ILE 26 -0.544 -3.099 -7.567 199 HA ILE 26 HA ILE 26 -1.713 -1.697 -5.396 200 HB ILE 26 HB ILE 26 1.045 -2.254 -6.334 201 1HG1 ILE 26 HG12 ILE 26 0.347 -2.137 -3.465 202 2HG1 ILE 26 HG11 ILE 26 -0.591 -3.282 -4.418 203 1HG2 ILE 26 HG21 ILE 26 0.342 0.138 -4.662 204 2HG2 ILE 26 HG22 ILE 26 1.400 0.046 -6.070 205 3HG2 ILE 26 HG23 ILE 26 1.909 -0.661 -4.535 206 1HD1 ILE 26 HD11 ILE 26 1.206 -4.615 -4.838 207 2HD1 ILE 26 HD12 ILE 26 1.653 -3.980 -3.256 208 3HD1 ILE 26 HD13 ILE 26 2.362 -3.288 -4.716 209 H GLN 27 HN GLN 27 -0.277 -0.771 -8.452 210 HA GLN 27 HA GLN 27 -0.099 1.995 -8.044 211 1HB GLN 27 HB1 GLN 27 -0.109 0.162 -10.370 212 2HB GLN 27 HB2 GLN 27 -0.538 1.833 -10.708 213 1HG GLN 27 HG2 GLN 27 1.788 1.594 -11.075 214 2HG GLN 27 HG1 GLN 27 1.572 2.528 -9.594 215 1HE2 GLN 27 HE22 GLN 27 1.757 1.342 -7.557 216 2HE2 GLN 27 HE21 GLN 27 2.878 0.030 -7.462 217 H GLU 28 HN GLU 28 -2.730 -0.042 -9.219 218 HA GLU 28 HA GLU 28 -4.415 2.203 -9.858 219 1HB GLU 28 HB2 GLU 28 -6.081 0.596 -10.450 220 2HB GLU 28 HB1 GLU 28 -4.525 0.054 -11.059 221 1HG GLU 28 HG2 GLU 28 -5.021 -1.887 -10.154 222 2HG GLU 28 HG1 GLU 28 -4.622 -1.133 -8.617 223 H ARG 29 HN ARG 29 -3.739 0.359 -7.060 224 HA ARG 29 HA ARG 29 -6.238 1.044 -5.756 225 1HB ARG 29 HB2 ARG 29 -5.672 -0.448 -4.089 226 2HB ARG 29 HB1 ARG 29 -4.870 -1.152 -5.484 227 1HG ARG 29 HG1 ARG 29 -2.864 -0.926 -4.575 228 2HG ARG 29 HG2 ARG 29 -3.177 0.735 -4.075 229 1HD ARG 29 HD1 ARG 29 -4.746 -0.990 -2.455 230 2HD ARG 29 HD2 ARG 29 -3.097 -1.613 -2.476 231 HE ARG 29 HE ARG 29 -2.374 0.326 -1.405 232 1HH1 ARG 29 HH11 ARG 29 -5.762 0.523 -2.200 233 2HH1 ARG 29 HH12 ARG 29 -6.051 1.898 -1.187 234 1HH2 ARG 29 HH22 ARG 29 -2.750 2.137 -0.071 235 2HH2 ARG 29 HH21 ARG 29 -4.341 2.814 0.023 236 H ILE 30 HN ILE 30 -3.251 2.489 -6.251 237 HA ILE 30 HA ILE 30 -2.760 3.796 -3.815 238 HB ILE 30 HB ILE 30 -2.121 4.597 -6.647 239 1HG1 ILE 30 HG11 ILE 30 -1.038 2.564 -5.634 240 2HG1 ILE 30 HG12 ILE 30 0.088 3.812 -6.150 241 1HG2 ILE 30 HG21 ILE 30 -1.371 6.594 -6.014 242 2HG2 ILE 30 HG22 ILE 30 -0.501 5.907 -4.641 243 3HG2 ILE 30 HG23 ILE 30 -2.205 6.339 -4.480 244 1HD1 ILE 30 HD11 ILE 30 -0.845 3.537 -3.309 245 2HD1 ILE 30 HD12 ILE 30 0.517 4.472 -3.925 246 3HD1 ILE 30 HD13 ILE 30 0.577 2.710 -3.944 247 HA PRO 31 HA PRO 31 -6.112 6.663 -3.312 248 1HB PRO 31 HB2 PRO 31 -4.532 8.757 -2.322 249 2HB PRO 31 HB1 PRO 31 -5.333 7.514 -1.365 250 1HG PRO 31 HG2 PRO 31 -2.504 7.676 -2.280 251 2HG PRO 31 HG1 PRO 31 -3.164 7.030 -0.767 252 1HD PRO 31 HD1 PRO 31 -2.324 5.399 -2.708 253 2HD PRO 31 HD2 PRO 31 -3.766 5.016 -1.744 254 H GLU 32 HN GLU 32 -6.934 7.530 -5.102 255 HA GLU 32 HA GLU 32 -5.499 8.656 -7.215 256 1HB GLU 32 HB1 GLU 32 -8.304 8.345 -6.458 257 2HB GLU 32 HB2 GLU 32 -8.006 9.787 -7.419 258 1HG GLU 32 HG1 GLU 32 -8.630 7.769 -8.730 259 2HG GLU 32 HG2 GLU 32 -7.104 8.511 -9.206 260 H GLY 33 HN GLY 33 -5.670 9.967 -4.230 261 1HA GLY 33 HA1 GLY 33 -6.204 12.706 -4.956 262 2HA GLY 33 HA2 GLY 33 -5.673 12.127 -3.385 263 H THR 34 HN THR 34 -3.301 10.863 -4.031 264 HA THR 34 HA THR 34 -1.698 12.993 -5.273 265 HB THR 34 HB THR 34 -0.591 11.505 -2.934 266 HG1 THR 34 HG1 THR 34 -2.608 12.232 -2.198 267 1HG2 THR 34 HG21 THR 34 0.297 13.620 -4.495 268 2HG2 THR 34 HG22 THR 34 0.984 13.049 -2.974 269 3HG2 THR 34 HG23 THR 34 -0.204 14.352 -2.971 270 H GLU 35 HN GLU 35 0.590 11.119 -4.127 271 HA GLU 35 HA GLU 35 0.420 9.034 -6.183 272 1HB GLU 35 HB2 GLU 35 2.825 9.481 -6.746 273 2HB GLU 35 HB1 GLU 35 1.710 10.745 -7.248 274 1HG GLU 35 HG2 GLU 35 2.345 12.084 -5.312 275 2HG GLU 35 HG1 GLU 35 3.450 10.813 -4.792 276 H LEU 36 HN LEU 36 2.274 7.451 -5.925 277 HA LEU 36 HA LEU 36 2.219 6.491 -3.231 278 1HB LEU 36 HB1 LEU 36 3.913 4.789 -4.316 279 2HB LEU 36 HB2 LEU 36 2.197 4.715 -4.661 280 HG LEU 36 HG LEU 36 3.798 6.391 -6.496 281 1HD1 LEU 36 HD11 LEU 36 4.638 3.731 -5.861 282 2HD1 LEU 36 HD12 LEU 36 5.319 4.868 -7.025 283 3HD1 LEU 36 HD13 LEU 36 4.019 3.779 -7.511 284 1HD2 LEU 36 HD21 LEU 36 1.453 4.557 -6.596 285 2HD2 LEU 36 HD22 LEU 36 2.349 4.888 -8.079 286 3HD2 LEU 36 HD23 LEU 36 1.616 6.214 -7.177 287 H HIS 37 HN HIS 37 4.573 5.402 -2.644 288 HA HIS 37 HA HIS 37 6.533 7.599 -2.632 289 1HB HIS 37 HB1 HIS 37 5.350 7.548 -0.482 290 2HB HIS 37 HB2 HIS 37 5.735 5.847 -0.300 291 HD2 HIS 37 HD2 HIS 37 8.034 5.315 0.982 292 HE1 HIS 37 HE1 HIS 37 9.624 9.236 0.829 293 HE2 HIS 37 HE2 HIS 37 9.955 6.890 1.735 294 H LYS 38 HN LYS 38 6.478 4.421 -1.135 295 HA LYS 38 HA LYS 38 8.253 3.214 -3.023 296 1HB LYS 38 HB2 LYS 38 10.168 3.978 -2.144 297 2HB LYS 38 HB1 LYS 38 9.332 4.702 -0.784 298 1HG LYS 38 HG2 LYS 38 10.804 3.234 0.218 299 2HG LYS 38 HG1 LYS 38 9.291 2.325 0.191 300 1HD LYS 38 HD1 LYS 38 10.032 0.884 -1.438 301 2HD LYS 38 HD2 LYS 38 11.174 2.053 -2.104 302 1HE LYS 38 HE2 LYS 38 11.459 0.544 0.493 303 2HE LYS 38 HE1 LYS 38 12.364 0.253 -0.993 304 1HZ LYS 38 HZ1 LYS 38 12.747 2.907 -0.469 305 2HZ LYS 38 HZ2 LYS 38 13.857 1.664 -0.181 306 3HZ LYS 38 HZ3 LYS 38 12.829 2.184 1.058 307 H ILE 39 HN ILE 39 7.835 1.095 -3.003 308 HA ILE 39 HA ILE 39 6.184 0.045 -0.862 309 HB ILE 39 HB ILE 39 7.008 -1.475 -3.312 310 1HG1 ILE 39 HG11 ILE 39 4.921 0.686 -3.003 311 2HG1 ILE 39 HG12 ILE 39 6.175 0.552 -4.230 312 1HG2 ILE 39 HG21 ILE 39 5.914 -2.816 -1.687 313 2HG2 ILE 39 HG22 ILE 39 4.717 -2.460 -2.932 314 3HG2 ILE 39 HG23 ILE 39 4.684 -1.582 -1.402 315 1HD1 ILE 39 HD11 ILE 39 4.320 -0.036 -5.418 316 2HD1 ILE 39 HD12 ILE 39 3.553 -0.828 -4.040 317 3HD1 ILE 39 HD13 ILE 39 4.884 -1.620 -4.884 318 H ASP 40 HN ASP 40 6.554 -2.098 0.037 319 HA ASP 40 HA ASP 40 9.418 -2.759 0.266 320 1HB ASP 40 HB1 ASP 40 7.883 -1.649 2.250 321 2HB ASP 40 HB2 ASP 40 7.736 -3.371 2.594 322 H GLU 41 HN GLU 41 9.897 -4.798 -0.231 323 HA GLU 41 HA GLU 41 7.769 -6.756 -0.519 324 1HB GLU 41 HB1 GLU 41 10.715 -7.243 -0.940 325 2HB GLU 41 HB2 GLU 41 9.361 -8.122 -1.633 326 1HG GLU 41 HG1 GLU 41 9.320 -6.787 -3.394 327 2HG GLU 41 HG2 GLU 41 9.206 -5.358 -2.367 328 H GLU 42 HN GLU 42 7.404 -6.561 1.878 329 HA GLU 42 HA GLU 42 9.335 -8.061 3.490 330 1HB GLU 42 HB1 GLU 42 7.461 -5.923 4.018 331 2HB GLU 42 HB2 GLU 42 7.185 -7.272 5.112 332 1HG GLU 42 HG2 GLU 42 9.923 -6.995 5.124 333 2HG GLU 42 HG1 GLU 42 9.339 -5.332 5.047 334 HA PRO 43 HA PRO 43 6.618 -11.551 3.236 335 1HB PRO 43 HB1 PRO 43 8.002 -13.253 4.789 336 2HB PRO 43 HB2 PRO 43 8.575 -12.757 3.195 337 1HG PRO 43 HG2 PRO 43 9.495 -11.914 5.889 338 2HG PRO 43 HG1 PRO 43 10.410 -12.047 4.379 339 1HD PRO 43 HD1 PRO 43 9.366 -9.688 5.519 340 2HD PRO 43 HD2 PRO 43 10.041 -9.864 3.891 341 H ILE 44 HN ILE 44 5.182 -12.803 4.448 342 HA ILE 44 HA ILE 44 4.668 -11.801 7.172 343 HB ILE 44 HB ILE 44 2.455 -12.737 5.386 344 1HG1 ILE 44 HG12 ILE 44 3.697 -11.067 4.075 345 2HG1 ILE 44 HG11 ILE 44 2.128 -10.444 4.571 346 1HG2 ILE 44 HG21 ILE 44 2.287 -10.490 7.338 347 2HG2 ILE 44 HG22 ILE 44 2.373 -12.146 7.940 348 3HG2 ILE 44 HG23 ILE 44 1.061 -11.667 6.863 349 1HD1 ILE 44 HD11 ILE 44 3.720 -9.582 6.602 350 2HD1 ILE 44 HD12 ILE 44 3.301 -8.635 5.174 351 3HD1 ILE 44 HD13 ILE 44 4.826 -9.519 5.228 352 H ALA 45 HN ALA 45 2.986 -14.288 5.310 353 HA ALA 45 HA ALA 45 2.965 -16.119 7.472 354 1HB ALA 45 HB1 ALA 45 2.447 -16.729 4.568 355 2HB ALA 45 HB2 ALA 45 1.260 -16.017 5.660 356 3HB ALA 45 HB3 ALA 45 1.883 -17.637 5.971 357 H PHE 46 HN PHE 46 3.514 -18.529 5.898 358 HA PHE 46 HA PHE 46 6.276 -18.808 6.532 359 1HB PHE 46 HB2 PHE 46 4.136 -20.559 5.435 360 2HB PHE 46 HB1 PHE 46 5.803 -21.038 5.129 361 HD1 PHE 46 HD1 PHE 46 3.439 -20.148 7.842 362 HD2 PHE 46 HD2 PHE 46 7.048 -22.127 6.764 363 HE1 PHE 46 HE1 PHE 46 3.565 -21.134 10.094 364 HE2 PHE 46 HE2 PHE 46 7.182 -23.116 9.013 365 HZ PHE 46 HZ PHE 46 5.439 -22.619 10.681 366 H GLY 47 HN GLY 47 4.486 -18.075 3.640 367 1HA GLY 47 HA1 GLY 47 6.998 -17.522 2.266 368 2HA GLY 47 HA2 GLY 47 5.954 -18.723 1.523 369 H LEU 48 HN LEU 48 4.029 -16.482 3.071 370 HA LEU 48 HA LEU 48 3.392 -15.221 0.522 371 1HB LEU 48 HB2 LEU 48 1.895 -14.842 3.099 372 2HB LEU 48 HB1 LEU 48 1.313 -14.611 1.463 373 HG LEU 48 HG LEU 48 1.710 -17.171 2.976 374 1HD1 LEU 48 HD11 LEU 48 -0.500 -17.070 3.074 375 2HD1 LEU 48 HD12 LEU 48 -0.573 -17.143 1.314 376 3HD1 LEU 48 HD13 LEU 48 -0.497 -15.581 2.130 377 1HD2 LEU 48 HD21 LEU 48 1.435 -16.960 -0.018 378 2HD2 LEU 48 HD22 LEU 48 1.439 -18.444 0.933 379 3HD2 LEU 48 HD23 LEU 48 2.895 -17.452 0.842 380 H VAL 49 HN VAL 49 4.684 -13.545 0.091 381 HA VAL 49 HA VAL 49 5.477 -11.722 2.207 382 HB VAL 49 HB VAL 49 6.276 -11.869 -0.700 383 1HG1 VAL 49 HG21 VAL 49 6.368 -9.611 0.896 384 2HG1 VAL 49 HG22 VAL 49 7.326 -9.905 -0.556 385 3HG1 VAL 49 HG23 VAL 49 7.990 -10.288 1.032 386 1HG2 VAL 49 HG11 VAL 49 7.365 -12.957 1.823 387 2HG2 VAL 49 HG12 VAL 49 8.532 -12.305 0.671 388 3HG2 VAL 49 HG13 VAL 49 7.439 -13.600 0.181 389 H ALA 50 HN ALA 50 4.679 -9.766 2.537 390 HA ALA 50 HA ALA 50 2.580 -8.777 0.763 391 1HB ALA 50 HB1 ALA 50 2.203 -8.964 3.231 392 2HB ALA 50 HB2 ALA 50 1.911 -7.358 2.561 393 3HB ALA 50 HB3 ALA 50 3.400 -7.687 3.448 394 H LEU 51 HN LEU 51 2.493 -6.418 0.385 395 HA LEU 51 HA LEU 51 5.184 -5.273 0.022 396 1HB LEU 51 HB1 LEU 51 2.816 -5.368 -1.814 397 2HB LEU 51 HB2 LEU 51 3.929 -4.020 -1.920 398 HG LEU 51 HG LEU 51 5.780 -5.615 -2.345 399 1HD1 LEU 51 HD11 LEU 51 4.874 -7.566 -1.222 400 2HD1 LEU 51 HD12 LEU 51 5.238 -7.940 -2.907 401 3HD1 LEU 51 HD13 LEU 51 3.568 -7.667 -2.406 402 1HD2 LEU 51 HD21 LEU 51 4.288 -4.540 -4.136 403 2HD2 LEU 51 HD22 LEU 51 3.584 -6.146 -4.313 404 3HD2 LEU 51 HD23 LEU 51 5.306 -5.902 -4.607 405 H ASN 52 HN ASN 52 5.471 -3.547 1.250 406 HA ASN 52 HA ASN 52 3.168 -2.122 2.324 407 1HB ASN 52 HB1 ASN 52 6.030 -1.441 2.949 408 2HB ASN 52 HB2 ASN 52 4.605 -1.289 3.972 409 1HD2 ASN 52 HD22 ASN 52 3.596 -3.921 3.429 410 2HD2 ASN 52 HD21 ASN 52 4.627 -5.034 4.255 411 H VAL 53 HN VAL 53 2.426 -0.984 0.607 412 HA VAL 53 HA VAL 53 4.168 0.753 -0.900 413 HB VAL 53 HB VAL 53 1.166 0.699 -1.058 414 1HG1 VAL 53 HG21 VAL 53 1.604 1.287 -3.413 415 2HG1 VAL 53 HG22 VAL 53 3.331 1.315 -3.063 416 3HG1 VAL 53 HG23 VAL 53 2.255 2.476 -2.286 417 1HG2 VAL 53 HG11 VAL 53 1.231 -1.116 -2.587 418 2HG2 VAL 53 HG12 VAL 53 2.119 -1.618 -1.147 419 3HG2 VAL 53 HG13 VAL 53 2.994 -1.126 -2.597 420 H MET 54 HN MET 54 4.867 2.454 0.274 421 HA MET 54 HA MET 54 3.056 3.978 1.941 422 1HB MET 54 HB1 MET 54 5.956 4.413 1.190 423 2HB MET 54 HB2 MET 54 5.061 5.432 2.309 424 1HG MET 54 HG1 MET 54 4.965 3.794 3.934 425 2HG MET 54 HG2 MET 54 5.251 2.492 2.782 426 1HE MET 54 HE1 MET 54 8.484 1.802 4.545 427 2HE MET 54 HE2 MET 54 6.921 1.241 3.951 428 3HE MET 54 HE3 MET 54 7.007 2.223 5.413 429 H VAL 55 HN VAL 55 2.991 6.405 1.667 430 HA VAL 55 HA VAL 55 3.064 7.206 -1.151 431 HB VAL 55 HB VAL 55 0.853 8.004 -1.211 432 1HG1 VAL 55 HG11 VAL 55 -0.524 6.024 -0.646 433 2HG1 VAL 55 HG12 VAL 55 0.866 5.346 0.201 434 3HG1 VAL 55 HG13 VAL 55 0.945 5.626 -1.539 435 1HG2 VAL 55 HG21 VAL 55 0.799 9.004 1.034 436 2HG2 VAL 55 HG22 VAL 55 0.590 7.398 1.730 437 3HG2 VAL 55 HG23 VAL 55 -0.659 8.076 0.686 438 H VAL 56 HN VAL 56 3.711 9.259 -1.492 439 HA VAL 56 HA VAL 56 4.263 10.897 0.882 440 HB VAL 56 HB VAL 56 5.301 12.106 -1.488 441 1HG1 VAL 56 HG11 VAL 56 7.006 10.734 0.531 442 2HG1 VAL 56 HG12 VAL 56 5.985 12.078 1.042 443 3HG1 VAL 56 HG13 VAL 56 7.197 12.320 -0.218 444 1HG2 VAL 56 HG21 VAL 56 5.239 9.881 -2.488 445 2HG2 VAL 56 HG22 VAL 56 6.137 9.234 -1.116 446 3HG2 VAL 56 HG23 VAL 56 6.898 10.402 -2.196 447 H VAL 57 HN VAL 57 2.769 12.350 1.372 448 HA VAL 57 HA VAL 57 1.520 13.860 -0.822 449 HB VAL 57 HB VAL 57 -0.625 13.847 0.226 450 1HG1 VAL 57 HG21 VAL 57 0.568 11.583 -0.822 451 2HG1 VAL 57 HG22 VAL 57 -1.161 11.846 -0.594 452 3HG1 VAL 57 HG23 VAL 57 -0.227 11.004 0.642 453 1HG2 VAL 57 HG11 VAL 57 0.486 12.149 2.450 454 2HG2 VAL 57 HG12 VAL 57 -1.128 12.853 2.326 455 3HG2 VAL 57 HG13 VAL 57 0.273 13.896 2.570 456 H GLY 58 HN GLY 58 1.195 16.036 -0.459 457 1HA GLY 58 HA2 GLY 58 1.509 17.213 2.141 458 2HA GLY 58 HA1 GLY 58 2.925 17.444 1.128 459 H ASP 59 HN ASP 59 2.226 18.159 -1.226 460 HA ASP 59 HA ASP 59 0.846 20.662 -0.861 461 1HB ASP 59 HB2 ASP 59 1.593 21.219 -3.066 462 2HB ASP 59 HB1 ASP 59 2.922 20.383 -2.269 463 H ALA 60 HN ALA 60 -0.036 17.542 -1.675 464 HA ALA 60 HA ALA 60 -2.092 18.026 -3.567 465 1HB ALA 60 HB1 ALA 60 -1.998 15.735 -1.629 466 2HB ALA 60 HB2 ALA 60 -0.950 15.829 -3.045 467 3HB ALA 60 HB3 ALA 60 -2.702 15.774 -3.246 468 H GLU 61 HN GLU 61 -4.061 16.387 -1.967 469 HA GLU 61 HA GLU 61 -4.964 18.284 0.048 470 1HB GLU 61 HB1 GLU 61 -7.319 17.806 -1.281 471 2HB GLU 61 HB2 GLU 61 -6.372 19.284 -1.390 472 1HG GLU 61 HG1 GLU 61 -5.151 18.186 -3.320 473 2HG GLU 61 HG2 GLU 61 -6.421 16.964 -3.290 474 H GLY 62 HN GLY 62 -7.502 17.289 0.463 475 1HA GLY 62 HA1 GLY 62 -6.879 14.770 1.737 476 2HA GLY 62 HA2 GLY 62 -8.394 15.656 1.857 477 H GLY 63 HN GLY 63 -7.260 15.229 -1.314 478 1HA GLY 63 HA2 GLY 63 -9.512 13.647 -2.048 479 2HA GLY 63 HA1 GLY 63 -8.176 14.096 -3.095 480 H THR 64 HN THR 64 -6.785 12.704 -0.471 481 HA THR 64 HA THR 64 -6.188 10.294 -1.897 482 HB THR 64 HB THR 64 -4.618 9.846 -0.246 483 HG1 THR 64 HG1 THR 64 -6.307 11.275 1.517 484 1HG2 THR 64 HG21 THR 64 -4.049 12.292 0.748 485 2HG2 THR 64 HG22 THR 64 -4.989 12.713 -0.684 486 3HG2 THR 64 HG23 THR 64 -3.547 11.709 -0.838 487 H GLU 65 HN GLU 65 -8.831 11.222 -0.239 488 HA GLU 65 HA GLU 65 -9.521 9.114 1.450 489 1HB GLU 65 HB2 GLU 65 -11.873 9.750 0.908 490 2HB GLU 65 HB1 GLU 65 -10.860 11.109 1.369 491 1HG GLU 65 HG2 GLU 65 -10.810 11.972 -0.772 492 2HG GLU 65 HG1 GLU 65 -11.236 10.428 -1.510 493 H ALA 66 HN ALA 66 -9.316 9.333 -1.964 494 HA ALA 66 HA ALA 66 -11.033 7.326 -2.813 495 1HB ALA 66 HB1 ALA 66 -8.942 7.078 -4.554 496 2HB ALA 66 HB2 ALA 66 -8.701 8.704 -3.912 497 3HB ALA 66 HB3 ALA 66 -10.232 8.275 -4.676 498 H ALA 67 HN ALA 67 -7.938 7.082 -1.235 499 HA ALA 67 HA ALA 67 -7.274 4.442 -1.907 500 1HB ALA 67 HB1 ALA 67 -6.643 6.065 0.549 501 2HB ALA 67 HB2 ALA 67 -5.627 5.814 -0.870 502 3HB ALA 67 HB3 ALA 67 -5.959 4.471 0.224 503 H GLU 68 HN GLU 68 -8.906 5.667 1.020 504 HA GLU 68 HA GLU 68 -9.568 3.166 2.092 505 1HB GLU 68 HB1 GLU 68 -11.087 5.770 2.370 506 2HB GLU 68 HB2 GLU 68 -11.234 4.373 3.428 507 1HG GLU 68 HG2 GLU 68 -8.814 4.649 3.990 508 2HG GLU 68 HG1 GLU 68 -8.844 6.163 3.088 509 H GLU 69 HN GLU 69 -11.116 5.144 -0.349 510 HA GLU 69 HA GLU 69 -13.606 3.828 -0.454 511 1HB GLU 69 HB1 GLU 69 -12.296 5.907 -1.860 512 2HB GLU 69 HB2 GLU 69 -12.788 4.718 -3.059 513 1HG GLU 69 HG2 GLU 69 -15.084 4.811 -1.942 514 2HG GLU 69 HG1 GLU 69 -14.498 6.279 -1.159 515 H SER 70 HN SER 70 -10.634 3.407 -2.344 516 HA SER 70 HA SER 70 -11.534 1.215 -3.870 517 1HB SER 70 HB2 SER 70 -9.371 1.105 -4.709 518 2HB SER 70 HB1 SER 70 -9.434 2.777 -4.151 519 HG SER 70 HG SER 70 -7.649 1.081 -3.483 520 H LEU 71 HN LEU 71 -10.548 1.508 -0.617 521 HA LEU 71 HA LEU 71 -9.646 -1.180 -0.230 522 1HB LEU 71 HB2 LEU 71 -9.855 1.221 1.309 523 2HB LEU 71 HB1 LEU 71 -10.579 -0.091 2.212 524 HG LEU 71 HG LEU 71 -8.239 0.184 2.815 525 1HD1 LEU 71 HD11 LEU 71 -7.545 -2.218 1.708 526 2HD1 LEU 71 HD12 LEU 71 -9.307 -2.260 1.631 527 3HD1 LEU 71 HD13 LEU 71 -8.498 -2.005 3.177 528 1HD2 LEU 71 HD21 LEU 71 -6.490 -0.370 1.103 529 2HD2 LEU 71 HD22 LEU 71 -7.309 1.174 0.868 530 3HD2 LEU 71 HD23 LEU 71 -7.745 -0.218 -0.126 531 H SER 72 HN SER 72 -12.705 0.465 -0.164 532 HA SER 72 HA SER 72 -14.207 -1.436 1.286 533 1HB SER 72 HB1 SER 72 -14.746 1.022 0.312 534 2HB SER 72 HB2 SER 72 -15.549 0.039 -0.914 535 HG SER 72 HG SER 72 -16.662 -1.011 0.827 536 H GLY 73 HN GLY 73 -12.740 -1.580 -1.738 537 1HA GLY 73 HA2 GLY 73 -14.001 -4.149 -2.292 538 2HA GLY 73 HA1 GLY 73 -14.172 -2.911 -3.529 539 H ILE 74 HN ILE 74 -11.384 -3.178 -1.496 540 HA ILE 74 HA ILE 74 -9.607 -3.268 -3.713 541 HB ILE 74 HB ILE 74 -9.291 -2.252 -1.335 542 1HG1 ILE 74 HG11 ILE 74 -6.702 -3.264 -1.772 543 2HG1 ILE 74 HG12 ILE 74 -7.467 -3.186 -3.357 544 1HG2 ILE 74 HG21 ILE 74 -9.311 -4.954 -0.647 545 2HG2 ILE 74 HG22 ILE 74 -8.892 -3.585 0.383 546 3HG2 ILE 74 HG23 ILE 74 -7.629 -4.442 -0.502 547 1HD1 ILE 74 HD11 ILE 74 -8.060 -0.787 -1.966 548 2HD1 ILE 74 HD12 ILE 74 -7.103 -1.013 -3.429 549 3HD1 ILE 74 HD13 ILE 74 -6.327 -1.093 -1.848 550 H GLU 75 HN GLU 75 -7.572 -4.966 -2.936 551 HA GLU 75 HA GLU 75 -8.201 -7.359 -4.133 552 1HB GLU 75 HB2 GLU 75 -6.000 -6.331 -2.473 553 2HB GLU 75 HB1 GLU 75 -6.180 -8.080 -2.427 554 1HG GLU 75 HG2 GLU 75 -4.608 -7.485 -4.132 555 2HG GLU 75 HG1 GLU 75 -6.068 -8.130 -4.886 556 H GLY 76 HN GLY 76 -9.961 -8.481 -3.479 557 1HA GLY 76 HA1 GLY 76 -10.838 -8.831 -0.846 558 2HA GLY 76 HA2 GLY 76 -11.275 -9.857 -2.202 559 H VAL 77 HN VAL 77 -8.479 -10.628 -2.704 560 HA VAL 77 HA VAL 77 -8.337 -12.751 -0.721 561 HB VAL 77 HB VAL 77 -6.465 -12.364 -3.047 562 1HG1 VAL 77 HG21 VAL 77 -7.387 -14.941 -1.816 563 2HG1 VAL 77 HG22 VAL 77 -6.030 -14.030 -1.153 564 3HG1 VAL 77 HG23 VAL 77 -5.960 -14.637 -2.807 565 1HG2 VAL 77 HG11 VAL 77 -7.909 -13.422 -4.515 566 2HG2 VAL 77 HG12 VAL 77 -8.995 -12.367 -3.611 567 3HG2 VAL 77 HG13 VAL 77 -8.904 -14.084 -3.218 568 H SER 78 HN SER 78 -6.466 -9.990 -1.817 569 HA SER 78 HA SER 78 -4.406 -10.512 0.174 570 1HB SER 78 HB1 SER 78 -3.582 -9.885 -2.029 571 2HB SER 78 HB2 SER 78 -4.590 -8.442 -2.027 572 HG SER 78 HG SER 78 -2.987 -7.483 -1.102 573 H ASN 79 HN ASN 79 -5.411 -10.005 2.118 574 HA ASN 79 HA ASN 79 -6.757 -7.474 2.447 575 1HB ASN 79 HB2 ASN 79 -7.648 -8.941 3.969 576 2HB ASN 79 HB1 ASN 79 -6.124 -9.774 4.227 577 1HD2 ASN 79 HD21 ASN 79 -6.752 -6.240 4.533 578 2HD2 ASN 79 HD22 ASN 79 -6.383 -6.190 6.217 579 H ILE 80 HN ILE 80 -5.888 -5.646 3.031 580 HA ILE 80 HA ILE 80 -3.006 -5.587 3.334 581 HB ILE 80 HB ILE 80 -4.809 -3.217 3.009 582 1HG1 ILE 80 HG12 ILE 80 -3.664 -4.859 0.749 583 2HG1 ILE 80 HG11 ILE 80 -5.335 -4.974 1.288 584 1HG2 ILE 80 HG21 ILE 80 -2.642 -2.532 3.459 585 2HG2 ILE 80 HG22 ILE 80 -2.747 -2.472 1.700 586 3HG2 ILE 80 HG23 ILE 80 -1.938 -3.821 2.488 587 1HD1 ILE 80 HD11 ILE 80 -4.143 -2.371 0.414 588 2HD1 ILE 80 HD12 ILE 80 -5.842 -2.823 0.543 589 3HD1 ILE 80 HD13 ILE 80 -4.840 -3.514 -0.733 590 H GLU 81 HN GLU 81 -1.939 -4.550 4.961 591 HA GLU 81 HA GLU 81 -3.383 -4.170 7.454 592 1HB GLU 81 HB2 GLU 81 -1.111 -5.349 7.280 593 2HB GLU 81 HB1 GLU 81 -0.427 -3.758 6.974 594 1HG GLU 81 HG1 GLU 81 -0.329 -3.361 9.142 595 2HG GLU 81 HG2 GLU 81 -2.071 -3.595 9.286 596 H VAL 82 HN VAL 82 -4.544 -2.487 6.287 597 HA VAL 82 HA VAL 82 -3.186 -0.089 5.533 598 HB VAL 82 HB VAL 82 -6.147 -0.681 5.786 599 1HG1 VAL 82 HG21 VAL 82 -5.259 1.282 3.802 600 2HG1 VAL 82 HG22 VAL 82 -4.925 1.771 5.463 601 3HG1 VAL 82 HG23 VAL 82 -6.574 1.379 4.974 602 1HG2 VAL 82 HG11 VAL 82 -4.146 -1.257 3.679 603 2HG2 VAL 82 HG12 VAL 82 -5.759 -0.750 3.177 604 3HG2 VAL 82 HG13 VAL 82 -5.561 -2.181 4.193 605 H THR 83 HN THR 83 -2.375 -0.248 7.980 606 HA THR 83 HA THR 83 -3.985 1.716 9.445 607 HB THR 83 HB THR 83 -2.493 -0.447 10.902 608 HG1 THR 83 HG1 THR 83 -5.146 -0.891 10.787 609 1HG2 THR 83 HG21 THR 83 -3.143 0.939 12.546 610 2HG2 THR 83 HG22 THR 83 -4.653 0.044 12.379 611 3HG2 THR 83 HG23 THR 83 -4.470 1.617 11.604 612 H ASP 84 HN ASP 84 -1.102 1.180 7.942 613 HA ASP 84 HA ASP 84 0.583 2.334 10.008 614 1HB ASP 84 HB2 ASP 84 1.122 1.372 7.206 615 2HB ASP 84 HB1 ASP 84 2.341 2.191 8.176 616 H VAL 85 HN VAL 85 1.262 4.389 10.117 617 HA VAL 85 HA VAL 85 0.838 6.203 7.880 618 HB VAL 85 HB VAL 85 -1.255 6.133 9.329 619 1HG1 VAL 85 HG11 VAL 85 0.062 7.989 11.216 620 2HG1 VAL 85 HG12 VAL 85 0.378 6.268 11.430 621 3HG1 VAL 85 HG13 VAL 85 -1.278 6.872 11.470 622 1HG2 VAL 85 HG21 VAL 85 -1.382 7.948 7.999 623 2HG2 VAL 85 HG22 VAL 85 0.252 8.481 8.392 624 3HG2 VAL 85 HG23 VAL 85 -1.078 8.820 9.501 625 H ARG 86 HN ARG 86 1.969 8.172 8.042 626 HA ARG 86 HA ARG 86 3.735 8.612 10.308 627 1HB ARG 86 HB1 ARG 86 4.694 7.864 7.563 628 2HB ARG 86 HB2 ARG 86 5.663 8.918 8.584 629 1HG ARG 86 HG2 ARG 86 4.998 6.817 10.248 630 2HG ARG 86 HG1 ARG 86 5.301 6.058 8.685 631 1HD ARG 86 HD2 ARG 86 7.462 7.203 8.553 632 2HD ARG 86 HD1 ARG 86 7.154 7.953 10.119 633 HE ARG 86 HE ARG 86 7.124 5.046 10.034 634 1HH1 ARG 86 HH11 ARG 86 8.888 7.962 10.765 635 2HH1 ARG 86 HH12 ARG 86 10.034 7.164 11.789 636 1HH2 ARG 86 HH22 ARG 86 8.629 3.989 11.380 637 2HH2 ARG 86 HH21 ARG 86 9.888 4.907 12.138 638 H ARG 87 HN ARG 87 2.187 10.382 10.363 639 HA ARG 87 HA ARG 87 2.273 12.352 8.256 640 1HB ARG 87 HB1 ARG 87 1.097 12.946 10.936 641 2HB ARG 87 HB2 ARG 87 0.525 13.405 9.338 642 1HG ARG 87 HG2 ARG 87 0.441 10.559 9.589 643 2HG ARG 87 HG1 ARG 87 -0.380 11.303 10.964 644 1HD ARG 87 HD2 ARG 87 -1.387 12.814 9.007 645 2HD ARG 87 HD1 ARG 87 -1.067 11.347 8.083 646 HE ARG 87 HE ARG 87 -2.391 10.564 10.386 647 1HH1 ARG 87 HH11 ARG 87 -3.029 12.563 7.602 648 2HH1 ARG 87 HH12 ARG 87 -4.736 12.269 7.621 649 1HH2 ARG 87 HH22 ARG 87 -4.639 10.172 10.416 650 2HH2 ARG 87 HH21 ARG 87 -5.650 10.911 9.219 651 H LEU 88 HN LEU 88 4.619 12.754 8.350 652 HA LEU 88 HA LEU 88 5.615 14.103 10.711 653 1HB LEU 88 HB1 LEU 88 7.361 14.523 8.513 654 2HB LEU 88 HB2 LEU 88 7.620 13.571 9.956 655 HG LEU 88 HG LEU 88 6.322 12.540 7.441 656 1HD1 LEU 88 HD11 LEU 88 8.991 13.180 7.859 657 2HD1 LEU 88 HD12 LEU 88 8.345 12.100 6.618 658 3HD1 LEU 88 HD13 LEU 88 8.902 11.439 8.155 659 1HD2 LEU 88 HD21 LEU 88 6.160 11.577 10.009 660 2HD2 LEU 88 HD22 LEU 88 7.494 10.648 9.313 661 3HD2 LEU 88 HD23 LEU 88 5.910 10.642 8.529 662 H MET 89 HN MET 89 4.718 16.062 11.025 663 HA MET 89 HA MET 89 4.329 17.856 8.764 664 1HB MET 89 HB2 MET 89 3.723 18.494 11.644 665 2HB MET 89 HB1 MET 89 3.000 19.186 10.198 666 1HG MET 89 HG2 MET 89 2.568 16.350 10.264 667 2HG MET 89 HG1 MET 89 2.024 17.093 11.768 668 1HE MET 89 HE1 MET 89 0.561 17.432 7.567 669 2HE MET 89 HE2 MET 89 2.239 17.376 8.107 670 3HE MET 89 HE3 MET 89 1.432 18.930 7.898 Start of MODEL 17 1 1H MET 1 HT1 MET 1 10.901 19.488 6.418 2 2H MET 1 HT2 MET 1 11.197 18.004 5.612 3 3H MET 1 HT3 MET 1 12.094 18.409 7.017 4 HA MET 1 HA MET 1 10.011 16.820 7.014 5 1HB MET 1 HB1 MET 1 11.707 18.054 8.827 6 2HB MET 1 HB2 MET 1 10.106 18.496 9.407 7 1HG MET 1 HG2 MET 1 9.499 16.293 9.798 8 2HG MET 1 HG1 MET 1 10.752 15.656 8.733 9 1HE MET 1 HE1 MET 1 13.286 16.259 9.189 10 2HE MET 1 HE2 MET 1 13.019 14.621 9.788 11 3HE MET 1 HE3 MET 1 13.953 15.770 10.747 12 H GLY 2 HN GLY 2 7.969 17.028 6.358 13 1HA GLY 2 HA1 GLY 2 6.093 18.663 7.593 14 2HA GLY 2 HA2 GLY 2 6.620 19.524 6.155 15 H ASP 3 HN ASP 3 7.038 16.508 5.219 16 HA ASP 3 HA ASP 3 4.447 16.424 3.879 17 1HB ASP 3 HB2 ASP 3 5.465 14.766 2.400 18 2HB ASP 3 HB1 ASP 3 6.474 16.205 2.503 19 H VAL 4 HN VAL 4 3.076 14.637 3.913 20 HA VAL 4 HA VAL 4 3.358 12.958 6.297 21 HB VAL 4 HB VAL 4 0.902 13.047 4.579 22 1HG1 VAL 4 HG21 VAL 4 1.683 11.973 7.161 23 2HG1 VAL 4 HG22 VAL 4 0.312 11.560 6.131 24 3HG1 VAL 4 HG23 VAL 4 0.203 12.929 7.237 25 1HG2 VAL 4 HG11 VAL 4 0.570 14.801 6.772 26 2HG2 VAL 4 HG12 VAL 4 0.507 15.179 5.050 27 3HG2 VAL 4 HG13 VAL 4 2.036 15.289 5.920 28 H VAL 5 HN VAL 5 3.905 10.871 6.145 29 HA VAL 5 HA VAL 5 3.687 9.564 3.508 30 HB VAL 5 HB VAL 5 5.579 8.789 5.735 31 1HG1 VAL 5 HG11 VAL 5 5.691 8.062 2.814 32 2HG1 VAL 5 HG12 VAL 5 4.883 7.066 4.026 33 3HG1 VAL 5 HG13 VAL 5 6.616 7.370 4.147 34 1HG2 VAL 5 HG21 VAL 5 7.069 9.797 3.618 35 2HG2 VAL 5 HG22 VAL 5 6.788 10.577 5.175 36 3HG2 VAL 5 HG23 VAL 5 5.742 10.943 3.805 37 H ALA 6 HN ALA 6 1.955 8.258 3.470 38 HA ALA 6 HA ALA 6 1.177 6.807 5.895 39 1HB ALA 6 HB1 ALA 6 -0.847 6.193 4.606 40 2HB ALA 6 HB2 ALA 6 -0.226 7.128 3.245 41 3HB ALA 6 HB3 ALA 6 -0.628 7.937 4.760 42 H THR 7 HN THR 7 0.538 4.449 5.557 43 HA THR 7 HA THR 7 2.103 3.164 3.460 44 HB THR 7 HB THR 7 2.384 2.287 6.323 45 HG1 THR 7 HG1 THR 7 4.457 3.262 6.181 46 1HG2 THR 7 HG21 THR 7 2.904 0.494 4.895 47 2HG2 THR 7 HG22 THR 7 4.445 1.197 5.389 48 3HG2 THR 7 HG23 THR 7 3.796 1.540 3.782 49 H ILE 8 HN ILE 8 1.210 1.493 2.595 50 HA ILE 8 HA ILE 8 -1.116 0.215 3.885 51 HB ILE 8 HB ILE 8 -0.701 0.582 0.919 52 1HG1 ILE 8 HG12 ILE 8 -0.870 2.757 2.304 53 2HG1 ILE 8 HG11 ILE 8 -1.949 2.568 0.928 54 1HG2 ILE 8 HG21 ILE 8 -3.322 0.397 1.184 55 2HG2 ILE 8 HG22 ILE 8 -2.852 -0.485 2.639 56 3HG2 ILE 8 HG23 ILE 8 -2.282 -1.023 1.059 57 1HD1 ILE 8 HD11 ILE 8 -2.694 3.307 3.443 58 2HD1 ILE 8 HD12 ILE 8 -3.083 1.588 3.424 59 3HD1 ILE 8 HD13 ILE 8 -3.770 2.661 2.203 60 H LYS 9 HN LYS 9 -0.421 -1.785 4.516 61 HA LYS 9 HA LYS 9 1.546 -3.212 2.882 62 1HB LYS 9 HB1 LYS 9 0.652 -4.481 5.369 63 2HB LYS 9 HB2 LYS 9 2.276 -4.200 4.758 64 1HG LYS 9 HG2 LYS 9 0.948 -1.746 5.582 65 2HG LYS 9 HG1 LYS 9 1.094 -2.922 6.884 66 1HD LYS 9 HD2 LYS 9 3.423 -2.216 5.138 67 2HD LYS 9 HD1 LYS 9 3.001 -1.264 6.561 68 1HE LYS 9 HE2 LYS 9 3.123 -4.165 6.997 69 2HE LYS 9 HE1 LYS 9 4.661 -3.409 6.585 70 1HZ LYS 9 HZ1 LYS 9 3.727 -1.709 8.415 71 2HZ LYS 9 HZ2 LYS 9 4.734 -3.018 8.779 72 3HZ LYS 9 HZ3 LYS 9 3.060 -3.156 8.986 73 H VAL 10 HN VAL 10 0.406 -4.106 1.216 74 HA VAL 10 HA VAL 10 -1.975 -5.670 1.802 75 HB VAL 10 HB VAL 10 -2.662 -5.189 -0.261 76 1HG1 VAL 10 HG21 VAL 10 -0.477 -3.531 -1.180 77 2HG1 VAL 10 HG22 VAL 10 -0.870 -3.213 0.510 78 3HG1 VAL 10 HG23 VAL 10 -2.122 -3.083 -0.728 79 1HG2 VAL 10 HG11 VAL 10 -0.970 -5.339 -2.261 80 2HG2 VAL 10 HG12 VAL 10 -1.640 -6.795 -1.526 81 3HG2 VAL 10 HG13 VAL 10 -0.015 -6.258 -1.098 82 H MET 11 HN MET 11 -2.178 -7.868 1.625 83 HA MET 11 HA MET 11 -0.004 -9.409 0.478 84 1HB MET 11 HB2 MET 11 0.777 -10.442 2.348 85 2HB MET 11 HB1 MET 11 0.261 -8.934 3.085 86 1HG MET 11 HG1 MET 11 -1.401 -9.897 4.251 87 2HG MET 11 HG2 MET 11 -1.777 -11.054 2.977 88 1HE MET 11 HE1 MET 11 -0.709 -13.043 2.457 89 2HE MET 11 HE2 MET 11 -1.419 -13.782 3.892 90 3HE MET 11 HE3 MET 11 0.286 -14.038 3.520 91 HA PRO 12 HA PRO 12 -3.622 -11.702 -0.844 92 1HB PRO 12 HB1 PRO 12 -1.612 -13.423 -2.156 93 2HB PRO 12 HB2 PRO 12 -2.912 -12.466 -2.872 94 1HG PRO 12 HG1 PRO 12 -0.363 -11.735 -3.153 95 2HG PRO 12 HG2 PRO 12 -1.642 -10.526 -2.920 96 1HD PRO 12 HD2 PRO 12 0.262 -11.674 -0.887 97 2HD PRO 12 HD1 PRO 12 -0.155 -9.972 -1.191 98 H GLU 13 HN GLU 13 -4.624 -13.157 0.358 99 HA GLU 13 HA GLU 13 -3.436 -14.722 2.335 100 1HB GLU 13 HB1 GLU 13 -6.116 -14.635 1.038 101 2HB GLU 13 HB2 GLU 13 -5.722 -16.048 2.008 102 1HG GLU 13 HG2 GLU 13 -5.263 -14.614 3.925 103 2HG GLU 13 HG1 GLU 13 -5.643 -13.192 2.954 104 H SER 14 HN SER 14 -4.054 -15.395 -1.035 105 HA SER 14 HA SER 14 -3.615 -18.225 -0.792 106 1HB SER 14 HB2 SER 14 -3.830 -16.377 -3.175 107 2HB SER 14 HB1 SER 14 -3.548 -18.112 -3.328 108 HG SER 14 HG SER 14 -5.665 -17.323 -1.710 109 HA PRO 15 HA PRO 15 0.782 -18.326 -1.015 110 1HB PRO 15 HB2 PRO 15 1.189 -20.613 -2.440 111 2HB PRO 15 HB1 PRO 15 0.697 -20.602 -0.743 112 1HG PRO 15 HG2 PRO 15 -0.973 -20.970 -3.200 113 2HG PRO 15 HG1 PRO 15 -1.040 -21.847 -1.659 114 1HD PRO 15 HD2 PRO 15 -2.788 -19.883 -2.277 115 2HD PRO 15 HD1 PRO 15 -2.237 -20.170 -0.614 116 H ASP 16 HN ASP 16 -1.182 -17.886 -3.700 117 HA ASP 16 HA ASP 16 1.017 -17.701 -5.608 118 1HB ASP 16 HB2 ASP 16 -1.751 -18.269 -5.824 119 2HB ASP 16 HB1 ASP 16 -1.474 -16.750 -6.671 120 H VAL 17 HN VAL 17 0.987 -15.930 -3.363 121 HA VAL 17 HA VAL 17 -0.021 -13.386 -4.085 122 HB VAL 17 HB VAL 17 0.290 -13.229 -1.894 123 1HG1 VAL 17 HG11 VAL 17 0.859 -15.161 -1.012 124 2HG1 VAL 17 HG12 VAL 17 2.502 -14.518 -0.953 125 3HG1 VAL 17 HG13 VAL 17 1.998 -15.527 -2.310 126 1HG2 VAL 17 HG21 VAL 17 2.252 -12.101 -1.146 127 2HG2 VAL 17 HG22 VAL 17 1.892 -11.555 -2.786 128 3HG2 VAL 17 HG23 VAL 17 3.189 -12.719 -2.508 129 H ASP 18 HN ASP 18 0.634 -13.044 -6.195 130 HA ASP 18 HA ASP 18 3.391 -13.067 -7.007 131 1HB ASP 18 HB1 ASP 18 0.857 -12.075 -8.306 132 2HB ASP 18 HB2 ASP 18 2.440 -11.879 -9.052 133 H LEU 19 HN LEU 19 4.759 -11.607 -6.189 134 HA LEU 19 HA LEU 19 3.949 -9.151 -5.060 135 1HB LEU 19 HB2 LEU 19 6.120 -8.860 -4.452 136 2HB LEU 19 HB1 LEU 19 6.141 -10.586 -4.752 137 HG LEU 19 HG LEU 19 6.843 -9.647 -7.203 138 1HD1 LEU 19 HD11 LEU 19 8.363 -7.859 -5.347 139 2HD1 LEU 19 HD12 LEU 19 6.843 -7.323 -6.064 140 3HD1 LEU 19 HD13 LEU 19 8.199 -7.771 -7.101 141 1HD2 LEU 19 HD21 LEU 19 8.763 -10.126 -4.931 142 2HD2 LEU 19 HD22 LEU 19 9.075 -10.334 -6.654 143 3HD2 LEU 19 HD23 LEU 19 7.937 -11.400 -5.830 144 H GLU 20 HN GLU 20 5.414 -9.958 -8.188 145 HA GLU 20 HA GLU 20 5.571 -7.295 -9.106 146 1HB GLU 20 HB1 GLU 20 6.913 -9.028 -10.132 147 2HB GLU 20 HB2 GLU 20 5.472 -9.912 -10.616 148 1HG GLU 20 HG1 GLU 20 6.468 -8.747 -12.498 149 2HG GLU 20 HG2 GLU 20 4.860 -8.120 -12.138 150 H ALA 21 HN ALA 21 3.065 -9.770 -9.383 151 HA ALA 21 HA ALA 21 1.437 -8.197 -11.132 152 1HB ALA 21 HB1 ALA 21 0.710 -10.528 -9.365 153 2HB ALA 21 HB2 ALA 21 1.134 -10.597 -11.075 154 3HB ALA 21 HB3 ALA 21 -0.354 -9.800 -10.567 155 H LEU 22 HN LEU 22 1.780 -8.570 -7.694 156 HA LEU 22 HA LEU 22 -0.535 -7.078 -6.956 157 1HB LEU 22 HB2 LEU 22 1.040 -8.674 -5.566 158 2HB LEU 22 HB1 LEU 22 1.933 -7.199 -5.269 159 HG LEU 22 HG LEU 22 0.400 -6.400 -3.814 160 1HD1 LEU 22 HD21 LEU 22 -1.869 -7.850 -5.159 161 2HD1 LEU 22 HD22 LEU 22 -1.342 -6.231 -5.627 162 3HD1 LEU 22 HD23 LEU 22 -1.965 -6.525 -3.999 163 1HD2 LEU 22 HD11 LEU 22 0.819 -8.325 -2.658 164 2HD2 LEU 22 HD12 LEU 22 0.069 -9.353 -3.879 165 3HD2 LEU 22 HD13 LEU 22 -0.939 -8.396 -2.791 166 H LYS 23 HN LYS 23 2.763 -6.380 -7.766 167 HA LYS 23 HA LYS 23 2.975 -3.754 -6.861 168 1HB LYS 23 HB2 LYS 23 4.426 -5.543 -8.607 169 2HB LYS 23 HB1 LYS 23 4.443 -3.905 -9.241 170 1HG LYS 23 HG1 LYS 23 4.994 -3.503 -6.592 171 2HG LYS 23 HG2 LYS 23 5.794 -5.043 -6.915 172 1HD LYS 23 HD2 LYS 23 6.305 -3.248 -9.075 173 2HD LYS 23 HD1 LYS 23 6.694 -2.448 -7.550 174 1HE LYS 23 HE2 LYS 23 7.663 -5.105 -7.401 175 2HE LYS 23 HE1 LYS 23 8.175 -4.436 -8.950 176 1HZ LYS 23 HZ1 LYS 23 9.758 -3.348 -7.878 177 2HZ LYS 23 HZ2 LYS 23 9.199 -3.905 -6.382 178 3HZ LYS 23 HZ3 LYS 23 8.587 -2.469 -7.032 179 H LYS 24 HN LYS 24 1.817 -5.024 -9.963 180 HA LYS 24 HA LYS 24 1.350 -2.452 -11.108 181 1HB LYS 24 HB2 LYS 24 0.219 -3.654 -12.878 182 2HB LYS 24 HB1 LYS 24 1.692 -4.497 -12.435 183 1HG LYS 24 HG1 LYS 24 0.580 -6.238 -11.416 184 2HG LYS 24 HG2 LYS 24 -0.920 -5.312 -11.265 185 1HD LYS 24 HD2 LYS 24 -1.616 -6.307 -13.131 186 2HD LYS 24 HD1 LYS 24 -0.400 -5.366 -13.998 187 1HE LYS 24 HE2 LYS 24 0.870 -7.609 -12.780 188 2HE LYS 24 HE1 LYS 24 -0.545 -8.173 -13.669 189 1HZ LYS 24 HZ1 LYS 24 0.431 -7.754 -15.610 190 2HZ LYS 24 HZ2 LYS 24 1.882 -7.642 -14.747 191 3HZ LYS 24 HZ3 LYS 24 1.008 -6.242 -15.119 192 H GLU 25 HN GLU 25 -0.569 -4.800 -9.355 193 HA GLU 25 HA GLU 25 -3.075 -3.484 -9.657 194 1HB GLU 25 HB1 GLU 25 -2.054 -5.461 -7.616 195 2HB GLU 25 HB2 GLU 25 -3.705 -4.858 -7.617 196 1HG GLU 25 HG2 GLU 25 -2.627 -6.043 -10.119 197 2HG GLU 25 HG1 GLU 25 -3.064 -7.117 -8.791 198 H ILE 26 HN ILE 26 -0.366 -3.093 -7.547 199 HA ILE 26 HA ILE 26 -1.571 -1.648 -5.458 200 HB ILE 26 HB ILE 26 1.207 -2.029 -6.438 201 1HG1 ILE 26 HG12 ILE 26 0.453 -2.011 -3.567 202 2HG1 ILE 26 HG11 ILE 26 -0.299 -3.249 -4.567 203 1HG2 ILE 26 HG21 ILE 26 1.849 -0.404 -4.476 204 2HG2 ILE 26 HG22 ILE 26 0.310 0.350 -4.890 205 3HG2 ILE 26 HG23 ILE 26 1.577 0.206 -6.108 206 1HD1 ILE 26 HD11 ILE 26 2.040 -3.843 -5.331 207 2HD1 ILE 26 HD12 ILE 26 1.619 -4.238 -3.665 208 3HD1 ILE 26 HD13 ILE 26 2.614 -2.824 -4.011 209 H GLN 27 HN GLN 27 -0.062 -0.596 -8.492 210 HA GLN 27 HA GLN 27 -0.210 2.169 -8.033 211 1HB GLN 27 HB1 GLN 27 -0.462 0.777 -10.706 212 2HB GLN 27 HB2 GLN 27 0.077 2.426 -10.419 213 1HG GLN 27 HG1 GLN 27 1.747 0.734 -8.902 214 2HG GLN 27 HG2 GLN 27 1.604 0.026 -10.511 215 1HE2 GLN 27 HE22 GLN 27 3.280 2.186 -8.659 216 2HE2 GLN 27 HE21 GLN 27 3.991 3.140 -9.912 217 H GLU 28 HN GLU 28 -2.544 -0.144 -9.276 218 HA GLU 28 HA GLU 28 -4.462 1.820 -10.079 219 1HB GLU 28 HB1 GLU 28 -5.086 -1.062 -9.485 220 2HB GLU 28 HB2 GLU 28 -5.858 0.007 -10.648 221 1HG GLU 28 HG2 GLU 28 -3.839 -0.010 -12.013 222 2HG GLU 28 HG1 GLU 28 -3.056 -1.071 -10.842 223 H ARG 29 HN ARG 29 -3.721 0.223 -7.101 224 HA ARG 29 HA ARG 29 -6.312 0.798 -5.941 225 1HB ARG 29 HB2 ARG 29 -5.619 -0.458 -4.077 226 2HB ARG 29 HB1 ARG 29 -4.907 -1.277 -5.458 227 1HG ARG 29 HG1 ARG 29 -2.813 -0.847 -4.804 228 2HG ARG 29 HG2 ARG 29 -3.207 0.781 -4.248 229 1HD ARG 29 HD1 ARG 29 -4.525 -0.924 -2.480 230 2HD ARG 29 HD2 ARG 29 -2.948 -1.670 -2.741 231 HE ARG 29 HE ARG 29 -3.466 0.646 -1.218 232 1HH1 ARG 29 HH22 ARG 29 -1.175 -0.619 -3.521 233 2HH1 ARG 29 HH21 ARG 29 0.142 0.337 -2.930 234 1HH2 ARG 29 HH12 ARG 29 -1.734 1.908 -0.437 235 2HH2 ARG 29 HH11 ARG 29 -0.175 1.771 -1.178 236 H ILE 30 HN ILE 30 -3.372 2.443 -6.340 237 HA ILE 30 HA ILE 30 -3.162 3.912 -3.961 238 HB ILE 30 HB ILE 30 -2.491 4.865 -6.746 239 1HG1 ILE 30 HG11 ILE 30 -1.412 2.717 -6.185 240 2HG1 ILE 30 HG12 ILE 30 -0.243 4.024 -6.328 241 1HG2 ILE 30 HG21 ILE 30 -1.500 6.675 -5.865 242 2HG2 ILE 30 HG22 ILE 30 -0.871 5.783 -4.479 243 3HG2 ILE 30 HG23 ILE 30 -2.538 6.361 -4.475 244 1HD1 ILE 30 HD11 ILE 30 -1.094 3.825 -3.614 245 2HD1 ILE 30 HD12 ILE 30 0.516 3.604 -4.298 246 3HD1 ILE 30 HD13 ILE 30 -0.594 2.237 -4.194 247 HA PRO 31 HA PRO 31 -6.848 6.385 -3.992 248 1HB PRO 31 HB1 PRO 31 -5.881 8.571 -2.638 249 2HB PRO 31 HB2 PRO 31 -6.462 7.092 -1.874 250 1HG PRO 31 HG1 PRO 31 -3.658 7.930 -2.483 251 2HG PRO 31 HG2 PRO 31 -4.307 7.128 -1.042 252 1HD PRO 31 HD1 PRO 31 -2.973 5.753 -2.915 253 2HD PRO 31 HD2 PRO 31 -4.366 5.045 -2.072 254 H GLU 32 HN GLU 32 -7.679 7.642 -5.476 255 HA GLU 32 HA GLU 32 -6.185 8.830 -7.536 256 1HB GLU 32 HB1 GLU 32 -9.041 8.816 -6.713 257 2HB GLU 32 HB2 GLU 32 -8.533 10.068 -7.837 258 1HG GLU 32 HG1 GLU 32 -9.399 8.172 -9.043 259 2HG GLU 32 HG2 GLU 32 -7.671 8.342 -9.350 260 H GLY 33 HN GLY 33 -6.341 9.879 -4.437 261 1HA GLY 33 HA1 GLY 33 -6.695 12.701 -4.925 262 2HA GLY 33 HA2 GLY 33 -6.246 11.953 -3.401 263 H THR 34 HN THR 34 -3.938 10.795 -3.686 264 HA THR 34 HA THR 34 -2.172 12.847 -4.856 265 HB THR 34 HB THR 34 -1.128 11.164 -2.654 266 HG1 THR 34 HG1 THR 34 -3.236 12.995 -2.340 267 1HG2 THR 34 HG21 THR 34 0.424 12.741 -3.034 268 2HG2 THR 34 HG22 THR 34 -0.593 13.688 -1.947 269 3HG2 THR 34 HG23 THR 34 -0.741 13.888 -3.693 270 H GLU 35 HN GLU 35 0.104 11.015 -3.970 271 HA GLU 35 HA GLU 35 -0.180 8.893 -5.974 272 1HB GLU 35 HB1 GLU 35 1.977 10.989 -5.844 273 2HB GLU 35 HB2 GLU 35 2.256 9.433 -6.614 274 1HG GLU 35 HG2 GLU 35 0.190 11.479 -7.389 275 2HG GLU 35 HG1 GLU 35 1.664 11.077 -8.269 276 H LEU 36 HN LEU 36 1.670 7.317 -5.823 277 HA LEU 36 HA LEU 36 1.893 6.472 -3.107 278 1HB LEU 36 HB1 LEU 36 2.825 4.486 -3.929 279 2HB LEU 36 HB2 LEU 36 1.654 4.979 -5.133 280 HG LEU 36 HG LEU 36 4.649 5.311 -5.344 281 1HD1 LEU 36 HD21 LEU 36 2.742 3.470 -6.784 282 2HD1 LEU 36 HD22 LEU 36 3.924 2.995 -5.563 283 3HD1 LEU 36 HD23 LEU 36 4.467 3.634 -7.115 284 1HD2 LEU 36 HD11 LEU 36 3.715 7.112 -6.536 285 2HD2 LEU 36 HD12 LEU 36 2.400 6.118 -7.166 286 3HD2 LEU 36 HD13 LEU 36 4.048 5.871 -7.745 287 H HIS 37 HN HIS 37 4.302 5.420 -2.691 288 HA HIS 37 HA HIS 37 6.233 7.616 -2.988 289 1HB HIS 37 HB1 HIS 37 5.173 7.696 -0.737 290 2HB HIS 37 HB2 HIS 37 5.757 6.069 -0.436 291 HD2 HIS 37 HD2 HIS 37 8.182 5.929 0.672 292 HE1 HIS 37 HE1 HIS 37 9.387 9.900 -0.155 293 HE2 HIS 37 HE2 HIS 37 10.016 7.735 1.009 294 H LYS 38 HN LYS 38 6.335 4.570 -1.219 295 HA LYS 38 HA LYS 38 8.057 3.273 -3.147 296 1HB LYS 38 HB1 LYS 38 9.060 4.264 -0.479 297 2HB LYS 38 HB2 LYS 38 9.826 2.932 -1.324 298 1HG LYS 38 HG1 LYS 38 9.518 5.733 -2.376 299 2HG LYS 38 HG2 LYS 38 10.992 5.035 -1.704 300 1HD LYS 38 HD2 LYS 38 10.492 3.196 -3.566 301 2HD LYS 38 HD1 LYS 38 9.694 4.572 -4.330 302 1HE LYS 38 HE1 LYS 38 12.560 4.458 -3.398 303 2HE LYS 38 HE2 LYS 38 12.003 4.401 -5.070 304 1HZ LYS 38 HZ1 LYS 38 12.204 6.672 -3.258 305 2HZ LYS 38 HZ2 LYS 38 10.868 6.655 -4.296 306 3HZ LYS 38 HZ3 LYS 38 12.434 6.597 -4.933 307 H ILE 39 HN ILE 39 7.784 1.115 -3.026 308 HA ILE 39 HA ILE 39 6.076 0.106 -0.902 309 HB ILE 39 HB ILE 39 7.010 -1.494 -3.257 310 1HG1 ILE 39 HG12 ILE 39 4.971 0.717 -3.151 311 2HG1 ILE 39 HG11 ILE 39 6.203 0.410 -4.369 312 1HG2 ILE 39 HG21 ILE 39 4.596 -1.529 -1.458 313 2HG2 ILE 39 HG22 ILE 39 5.855 -2.756 -1.606 314 3HG2 ILE 39 HG23 ILE 39 4.723 -2.492 -2.932 315 1HD1 ILE 39 HD11 ILE 39 4.413 -0.276 -5.544 316 2HD1 ILE 39 HD12 ILE 39 3.483 -0.687 -4.101 317 3HD1 ILE 39 HD13 ILE 39 4.727 -1.789 -4.695 318 H ASP 40 HN ASP 40 6.482 -2.021 0.045 319 HA ASP 40 HA ASP 40 9.354 -2.592 0.384 320 1HB ASP 40 HB1 ASP 40 7.721 -1.482 2.297 321 2HB ASP 40 HB2 ASP 40 7.630 -3.199 2.679 322 H GLU 41 HN GLU 41 9.877 -4.629 -0.099 323 HA GLU 41 HA GLU 41 7.790 -6.618 -0.418 324 1HB GLU 41 HB1 GLU 41 10.760 -7.023 -0.785 325 2HB GLU 41 HB2 GLU 41 9.451 -7.978 -1.468 326 1HG GLU 41 HG1 GLU 41 8.902 -6.336 -3.027 327 2HG GLU 41 HG2 GLU 41 9.770 -5.081 -2.146 328 H GLU 42 HN GLU 42 7.328 -6.504 1.951 329 HA GLU 42 HA GLU 42 9.243 -7.989 3.603 330 1HB GLU 42 HB1 GLU 42 7.260 -5.923 4.118 331 2HB GLU 42 HB2 GLU 42 7.076 -7.291 5.208 332 1HG GLU 42 HG2 GLU 42 9.706 -6.985 5.407 333 2HG GLU 42 HG1 GLU 42 9.278 -5.329 4.970 334 HA PRO 43 HA PRO 43 6.566 -11.505 3.199 335 1HB PRO 43 HB1 PRO 43 8.004 -13.242 4.679 336 2HB PRO 43 HB2 PRO 43 8.523 -12.695 3.083 337 1HG PRO 43 HG2 PRO 43 9.556 -11.971 5.757 338 2HG PRO 43 HG1 PRO 43 10.379 -11.952 4.191 339 1HD PRO 43 HD1 PRO 43 9.260 -9.740 5.588 340 2HD PRO 43 HD2 PRO 43 9.965 -9.741 3.963 341 H ILE 44 HN ILE 44 5.177 -12.851 4.379 342 HA ILE 44 HA ILE 44 4.679 -11.981 7.150 343 HB ILE 44 HB ILE 44 2.440 -12.867 5.384 344 1HG1 ILE 44 HG12 ILE 44 3.665 -11.143 4.097 345 2HG1 ILE 44 HG11 ILE 44 2.078 -10.579 4.607 346 1HG2 ILE 44 HG21 ILE 44 2.766 -11.201 7.847 347 2HG2 ILE 44 HG22 ILE 44 1.728 -12.601 7.571 348 3HG2 ILE 44 HG23 ILE 44 1.322 -11.044 6.847 349 1HD1 ILE 44 HD11 ILE 44 3.191 -8.751 5.252 350 2HD1 ILE 44 HD12 ILE 44 4.746 -9.586 5.283 351 3HD1 ILE 44 HD13 ILE 44 3.644 -9.718 6.655 352 H ALA 45 HN ALA 45 2.989 -14.393 5.206 353 HA ALA 45 HA ALA 45 3.028 -16.320 7.284 354 1HB ALA 45 HB1 ALA 45 1.337 -16.058 5.380 355 2HB ALA 45 HB2 ALA 45 1.792 -17.694 5.857 356 3HB ALA 45 HB3 ALA 45 2.490 -16.972 4.407 357 H PHE 46 HN PHE 46 3.538 -18.632 5.502 358 HA PHE 46 HA PHE 46 6.299 -18.981 6.107 359 1HB PHE 46 HB1 PHE 46 6.055 -21.186 5.164 360 2HB PHE 46 HB2 PHE 46 4.607 -20.827 6.097 361 HD1 PHE 46 HD1 PHE 46 2.504 -20.206 4.909 362 HD2 PHE 46 HD2 PHE 46 5.943 -21.647 2.856 363 HE1 PHE 46 HE1 PHE 46 1.111 -20.730 2.950 364 HE2 PHE 46 HE2 PHE 46 4.554 -22.175 0.895 365 HZ PHE 46 HZ PHE 46 2.135 -21.716 0.941 366 H GLY 47 HN GLY 47 4.489 -18.096 3.253 367 1HA GLY 47 HA1 GLY 47 6.985 -17.351 1.940 368 2HA GLY 47 HA2 GLY 47 5.989 -18.538 1.114 369 H LEU 48 HN LEU 48 4.027 -16.442 2.839 370 HA LEU 48 HA LEU 48 3.282 -15.067 0.381 371 1HB LEU 48 HB2 LEU 48 1.878 -14.748 3.011 372 2HB LEU 48 HB1 LEU 48 1.234 -14.550 1.395 373 HG LEU 48 HG LEU 48 1.730 -17.079 2.926 374 1HD1 LEU 48 HD11 LEU 48 -0.621 -17.025 1.304 375 2HD1 LEU 48 HD12 LEU 48 -0.523 -15.529 2.234 376 3HD1 LEU 48 HD13 LEU 48 -0.483 -17.086 3.061 377 1HD2 LEU 48 HD21 LEU 48 2.709 -17.849 1.017 378 2HD2 LEU 48 HD22 LEU 48 1.855 -16.705 -0.018 379 3HD2 LEU 48 HD23 LEU 48 1.015 -18.123 0.610 380 H VAL 49 HN VAL 49 4.604 -13.395 -0.005 381 HA VAL 49 HA VAL 49 5.414 -11.641 2.164 382 HB VAL 49 HB VAL 49 6.196 -11.704 -0.751 383 1HG1 VAL 49 HG21 VAL 49 7.536 -9.869 -0.490 384 2HG1 VAL 49 HG22 VAL 49 7.699 -10.096 1.252 385 3HG1 VAL 49 HG23 VAL 49 6.211 -9.426 0.586 386 1HG2 VAL 49 HG11 VAL 49 7.091 -13.135 1.550 387 2HG2 VAL 49 HG12 VAL 49 8.388 -12.084 0.980 388 3HG2 VAL 49 HG13 VAL 49 7.653 -13.251 -0.118 389 H ALA 50 HN ALA 50 4.559 -9.733 2.594 390 HA ALA 50 HA ALA 50 2.497 -8.651 0.838 391 1HB ALA 50 HB1 ALA 50 1.877 -7.249 2.703 392 2HB ALA 50 HB2 ALA 50 3.312 -7.752 3.599 393 3HB ALA 50 HB3 ALA 50 2.037 -8.918 3.255 394 H LEU 51 HN LEU 51 2.462 -6.403 0.298 395 HA LEU 51 HA LEU 51 5.152 -5.215 0.125 396 1HB LEU 51 HB1 LEU 51 2.850 -5.300 -1.789 397 2HB LEU 51 HB2 LEU 51 3.950 -3.938 -1.841 398 HG LEU 51 HG LEU 51 5.833 -5.516 -2.207 399 1HD1 LEU 51 HD11 LEU 51 3.638 -7.576 -2.392 400 2HD1 LEU 51 HD12 LEU 51 4.879 -7.482 -1.143 401 3HD1 LEU 51 HD13 LEU 51 5.331 -7.837 -2.811 402 1HD2 LEU 51 HD21 LEU 51 5.431 -5.826 -4.497 403 2HD2 LEU 51 HD22 LEU 51 4.471 -4.416 -4.051 404 3HD2 LEU 51 HD23 LEU 51 3.691 -5.984 -4.257 405 H ASN 52 HN ASN 52 5.408 -3.499 1.367 406 HA ASN 52 HA ASN 52 3.086 -2.073 2.389 407 1HB ASN 52 HB1 ASN 52 5.933 -1.385 3.068 408 2HB ASN 52 HB2 ASN 52 4.486 -1.233 4.064 409 1HD2 ASN 52 HD22 ASN 52 3.506 -3.881 3.497 410 2HD2 ASN 52 HD21 ASN 52 4.524 -4.982 4.355 411 H VAL 53 HN VAL 53 2.375 -0.922 0.662 412 HA VAL 53 HA VAL 53 4.163 0.779 -0.830 413 HB VAL 53 HB VAL 53 1.160 0.756 -1.023 414 1HG1 VAL 53 HG21 VAL 53 1.800 1.244 -3.456 415 2HG1 VAL 53 HG22 VAL 53 3.411 1.585 -2.826 416 3HG1 VAL 53 HG23 VAL 53 2.030 2.532 -2.275 417 1HG2 VAL 53 HG11 VAL 53 2.337 -0.864 -3.038 418 2HG2 VAL 53 HG12 VAL 53 1.158 -1.314 -1.806 419 3HG2 VAL 53 HG13 VAL 53 2.883 -1.442 -1.464 420 H MET 54 HN MET 54 4.864 2.516 0.218 421 HA MET 54 HA MET 54 3.154 4.047 1.972 422 1HB MET 54 HB1 MET 54 6.004 4.413 1.037 423 2HB MET 54 HB2 MET 54 5.198 5.544 2.112 424 1HG MET 54 HG1 MET 54 5.042 3.952 3.838 425 2HG MET 54 HG2 MET 54 5.459 2.626 2.754 426 1HE MET 54 HE1 MET 54 8.478 2.695 5.189 427 2HE MET 54 HE2 MET 54 7.675 1.585 4.078 428 3HE MET 54 HE3 MET 54 6.729 2.491 5.259 429 H VAL 55 HN VAL 55 3.081 6.467 1.693 430 HA VAL 55 HA VAL 55 2.958 7.260 -1.121 431 HB VAL 55 HB VAL 55 0.762 8.104 -1.015 432 1HG1 VAL 55 HG11 VAL 55 0.681 5.788 -1.438 433 2HG1 VAL 55 HG12 VAL 55 -0.589 6.106 -0.256 434 3HG1 VAL 55 HG13 VAL 55 0.939 5.395 0.262 435 1HG2 VAL 55 HG21 VAL 55 -0.618 7.971 1.070 436 2HG2 VAL 55 HG22 VAL 55 0.705 9.136 1.132 437 3HG2 VAL 55 HG23 VAL 55 0.862 7.580 1.946 438 H VAL 56 HN VAL 56 3.796 9.215 -1.469 439 HA VAL 56 HA VAL 56 4.459 10.852 0.871 440 HB VAL 56 HB VAL 56 6.412 10.597 -0.334 441 1HG1 VAL 56 HG21 VAL 56 4.615 10.336 -2.607 442 2HG1 VAL 56 HG22 VAL 56 6.194 9.605 -2.315 443 3HG1 VAL 56 HG23 VAL 56 6.084 11.235 -2.981 444 1HG2 VAL 56 HG11 VAL 56 5.227 13.131 -0.349 445 2HG2 VAL 56 HG12 VAL 56 5.971 12.942 -1.936 446 3HG2 VAL 56 HG13 VAL 56 6.943 12.747 -0.478 447 H VAL 57 HN VAL 57 2.920 12.255 1.392 448 HA VAL 57 HA VAL 57 1.692 13.845 -0.764 449 HB VAL 57 HB VAL 57 -0.411 13.851 0.302 450 1HG1 VAL 57 HG21 VAL 57 0.103 11.041 0.958 451 2HG1 VAL 57 HG22 VAL 57 0.677 11.540 -0.633 452 3HG1 VAL 57 HG23 VAL 57 -1.019 11.751 -0.202 453 1HG2 VAL 57 HG11 VAL 57 -0.577 13.912 2.514 454 2HG2 VAL 57 HG12 VAL 57 1.115 13.438 2.678 455 3HG2 VAL 57 HG13 VAL 57 -0.142 12.204 2.579 456 H GLY 58 HN GLY 58 0.765 15.951 0.085 457 1HA GLY 58 HA2 GLY 58 1.624 17.044 2.531 458 2HA GLY 58 HA1 GLY 58 2.794 17.467 1.289 459 H ASP 59 HN ASP 59 1.903 18.541 -0.675 460 HA ASP 59 HA ASP 59 0.139 20.667 0.147 461 1HB ASP 59 HB1 ASP 59 1.561 20.126 -2.467 462 2HB ASP 59 HB2 ASP 59 0.597 21.564 -2.146 463 H ALA 60 HN ALA 60 -0.488 17.647 -0.798 464 HA ALA 60 HA ALA 60 -2.424 17.956 -2.846 465 1HB ALA 60 HB1 ALA 60 -1.176 15.832 -1.959 466 2HB ALA 60 HB2 ALA 60 -2.796 15.701 -2.643 467 3HB ALA 60 HB3 ALA 60 -2.576 15.710 -0.893 468 H GLU 61 HN GLU 61 -4.468 16.300 -1.422 469 HA GLU 61 HA GLU 61 -5.596 18.158 0.511 470 1HB GLU 61 HB1 GLU 61 -7.827 17.763 -0.948 471 2HB GLU 61 HB2 GLU 61 -6.784 19.165 -1.141 472 1HG GLU 61 HG1 GLU 61 -5.711 18.196 -3.037 473 2HG GLU 61 HG2 GLU 61 -6.522 16.653 -2.772 474 H GLY 62 HN GLY 62 -8.143 17.114 0.667 475 1HA GLY 62 HA1 GLY 62 -7.604 14.580 1.952 476 2HA GLY 62 HA2 GLY 62 -9.137 15.442 1.939 477 H GLY 63 HN GLY 63 -7.696 15.097 -1.115 478 1HA GLY 63 HA2 GLY 63 -9.844 13.499 -2.092 479 2HA GLY 63 HA1 GLY 63 -8.419 13.985 -2.995 480 H THR 64 HN THR 64 -7.129 12.617 -0.372 481 HA THR 64 HA THR 64 -6.477 10.197 -1.755 482 HB THR 64 HB THR 64 -4.877 9.854 -0.152 483 HG1 THR 64 HG1 THR 64 -5.410 9.735 1.862 484 1HG2 THR 64 HG21 THR 64 -4.547 12.149 -0.969 485 2HG2 THR 64 HG22 THR 64 -3.942 11.903 0.669 486 3HG2 THR 64 HG23 THR 64 -5.469 12.746 0.410 487 H GLU 65 HN GLU 65 -9.144 11.107 -0.077 488 HA GLU 65 HA GLU 65 -9.807 8.954 1.576 489 1HB GLU 65 HB2 GLU 65 -12.173 9.584 1.040 490 2HB GLU 65 HB1 GLU 65 -11.170 10.929 1.562 491 1HG GLU 65 HG2 GLU 65 -11.481 12.028 -0.338 492 2HG GLU 65 HG1 GLU 65 -11.137 10.599 -1.312 493 H ALA 66 HN ALA 66 -9.595 9.255 -1.823 494 HA ALA 66 HA ALA 66 -11.296 7.261 -2.736 495 1HB ALA 66 HB1 ALA 66 -8.669 8.235 -3.831 496 2HB ALA 66 HB2 ALA 66 -10.294 8.722 -4.315 497 3HB ALA 66 HB3 ALA 66 -9.713 7.098 -4.682 498 H ALA 67 HN ALA 67 -8.184 7.010 -1.177 499 HA ALA 67 HA ALA 67 -7.495 4.395 -1.887 500 1HB ALA 67 HB1 ALA 67 -6.723 6.296 0.196 501 2HB ALA 67 HB2 ALA 67 -5.733 5.198 -0.765 502 3HB ALA 67 HB3 ALA 67 -6.564 4.605 0.673 503 H GLU 68 HN GLU 68 -9.167 5.521 1.057 504 HA GLU 68 HA GLU 68 -9.817 2.985 2.051 505 1HB GLU 68 HB1 GLU 68 -11.144 5.674 2.406 506 2HB GLU 68 HB2 GLU 68 -11.662 4.234 3.272 507 1HG GLU 68 HG2 GLU 68 -9.127 4.115 3.940 508 2HG GLU 68 HG1 GLU 68 -9.176 5.838 3.569 509 H GLU 69 HN GLU 69 -11.380 5.036 -0.321 510 HA GLU 69 HA GLU 69 -13.856 3.704 -0.490 511 1HB GLU 69 HB1 GLU 69 -12.626 5.869 -1.762 512 2HB GLU 69 HB2 GLU 69 -12.930 4.709 -3.049 513 1HG GLU 69 HG2 GLU 69 -15.243 4.732 -2.675 514 2HG GLU 69 HG1 GLU 69 -15.064 5.511 -1.102 515 H SER 70 HN SER 70 -10.874 3.352 -2.385 516 HA SER 70 HA SER 70 -11.774 1.186 -3.961 517 1HB SER 70 HB1 SER 70 -9.580 2.811 -4.011 518 2HB SER 70 HB2 SER 70 -8.880 1.311 -3.398 519 HG SER 70 HG SER 70 -9.082 1.698 -5.807 520 H LEU 71 HN LEU 71 -10.727 1.429 -0.719 521 HA LEU 71 HA LEU 71 -9.765 -1.234 -0.390 522 1HB LEU 71 HB2 LEU 71 -10.080 1.118 1.209 523 2HB LEU 71 HB1 LEU 71 -10.743 -0.253 2.074 524 HG LEU 71 HG LEU 71 -8.427 0.096 2.701 525 1HD1 LEU 71 HD11 LEU 71 -8.172 -2.300 0.986 526 2HD1 LEU 71 HD12 LEU 71 -9.513 -2.268 2.132 527 3HD1 LEU 71 HD13 LEU 71 -7.853 -2.096 2.708 528 1HD2 LEU 71 HD21 LEU 71 -7.168 1.068 1.118 529 2HD2 LEU 71 HD22 LEU 71 -8.075 0.331 -0.204 530 3HD2 LEU 71 HD23 LEU 71 -6.825 -0.592 0.631 531 H SER 72 HN SER 72 -12.879 0.293 -0.297 532 HA SER 72 HA SER 72 -14.305 -1.695 1.112 533 1HB SER 72 HB1 SER 72 -14.888 0.787 0.053 534 2HB SER 72 HB2 SER 72 -15.834 -0.304 -0.961 535 HG SER 72 HG SER 72 -17.125 -0.653 0.659 536 H GLY 73 HN GLY 73 -12.840 -1.756 -1.913 537 1HA GLY 73 HA2 GLY 73 -14.103 -4.311 -2.531 538 2HA GLY 73 HA1 GLY 73 -14.280 -3.045 -3.737 539 H ILE 74 HN ILE 74 -11.446 -3.183 -1.795 540 HA ILE 74 HA ILE 74 -9.736 -3.393 -4.064 541 HB ILE 74 HB ILE 74 -9.386 -2.190 -1.773 542 1HG1 ILE 74 HG11 ILE 74 -6.901 -3.568 -2.665 543 2HG1 ILE 74 HG12 ILE 74 -7.784 -2.615 -3.853 544 1HG2 ILE 74 HG21 ILE 74 -9.585 -4.449 -0.576 545 2HG2 ILE 74 HG22 ILE 74 -8.322 -3.333 -0.057 546 3HG2 ILE 74 HG23 ILE 74 -7.916 -4.704 -1.089 547 1HD1 ILE 74 HD11 ILE 74 -7.573 -1.069 -1.492 548 2HD1 ILE 74 HD12 ILE 74 -6.845 -0.779 -3.071 549 3HD1 ILE 74 HD13 ILE 74 -5.981 -1.729 -1.863 550 H GLU 75 HN GLU 75 -7.631 -4.988 -3.104 551 HA GLU 75 HA GLU 75 -8.183 -7.498 -4.116 552 1HB GLU 75 HB2 GLU 75 -6.038 -6.234 -2.585 553 2HB GLU 75 HB1 GLU 75 -6.194 -7.950 -2.233 554 1HG GLU 75 HG2 GLU 75 -4.628 -7.780 -3.971 555 2HG GLU 75 HG1 GLU 75 -6.124 -8.343 -4.721 556 H GLY 76 HN GLY 76 -10.015 -8.493 -3.372 557 1HA GLY 76 HA1 GLY 76 -10.799 -8.691 -0.674 558 2HA GLY 76 HA2 GLY 76 -11.350 -9.734 -1.976 559 H VAL 77 HN VAL 77 -8.553 -10.537 -2.573 560 HA VAL 77 HA VAL 77 -8.387 -12.668 -0.601 561 HB VAL 77 HB VAL 77 -8.148 -12.906 -3.180 562 1HG1 VAL 77 HG11 VAL 77 -5.687 -12.950 -3.814 563 2HG1 VAL 77 HG12 VAL 77 -5.424 -11.922 -2.406 564 3HG1 VAL 77 HG13 VAL 77 -6.466 -11.372 -3.719 565 1HG2 VAL 77 HG21 VAL 77 -7.910 -14.749 -1.619 566 2HG2 VAL 77 HG22 VAL 77 -6.253 -14.260 -1.259 567 3HG2 VAL 77 HG23 VAL 77 -6.668 -14.856 -2.867 568 H SER 78 HN SER 78 -6.526 -9.946 -1.779 569 HA SER 78 HA SER 78 -4.426 -10.433 0.181 570 1HB SER 78 HB2 SER 78 -4.401 -8.070 -1.652 571 2HB SER 78 HB1 SER 78 -3.060 -9.080 -1.117 572 HG SER 78 HG SER 78 -4.099 -10.765 -2.458 573 H ASN 79 HN ASN 79 -5.452 -9.893 2.123 574 HA ASN 79 HA ASN 79 -6.780 -7.333 2.386 575 1HB ASN 79 HB2 ASN 79 -7.207 -9.531 3.790 576 2HB ASN 79 HB1 ASN 79 -5.914 -8.875 4.792 577 1HD2 ASN 79 HD21 ASN 79 -6.410 -6.150 4.749 578 2HD2 ASN 79 HD22 ASN 79 -7.955 -5.840 5.455 579 H ILE 80 HN ILE 80 -5.940 -5.516 3.074 580 HA ILE 80 HA ILE 80 -3.059 -5.477 3.447 581 HB ILE 80 HB ILE 80 -4.913 -3.146 3.064 582 1HG1 ILE 80 HG11 ILE 80 -3.479 -3.825 0.681 583 2HG1 ILE 80 HG12 ILE 80 -4.385 -5.233 1.224 584 1HG2 ILE 80 HG21 ILE 80 -2.159 -3.383 3.572 585 2HG2 ILE 80 HG22 ILE 80 -3.089 -1.928 3.222 586 3HG2 ILE 80 HG23 ILE 80 -2.343 -2.834 1.908 587 1HD1 ILE 80 HD11 ILE 80 -5.510 -3.610 -0.397 588 2HD1 ILE 80 HD12 ILE 80 -5.686 -2.550 1.003 589 3HD1 ILE 80 HD13 ILE 80 -6.426 -4.152 1.011 590 H GLU 81 HN GLU 81 -2.041 -4.376 5.080 591 HA GLU 81 HA GLU 81 -3.546 -3.989 7.544 592 1HB GLU 81 HB2 GLU 81 -1.253 -5.150 7.454 593 2HB GLU 81 HB1 GLU 81 -0.585 -3.555 7.137 594 1HG GLU 81 HG1 GLU 81 -0.326 -3.687 9.398 595 2HG GLU 81 HG2 GLU 81 -1.900 -2.899 9.295 596 H VAL 82 HN VAL 82 -4.702 -2.331 6.326 597 HA VAL 82 HA VAL 82 -3.323 0.029 5.488 598 HB VAL 82 HB VAL 82 -6.286 -0.546 5.747 599 1HG1 VAL 82 HG21 VAL 82 -5.792 1.346 3.724 600 2HG1 VAL 82 HG22 VAL 82 -4.839 1.872 5.112 601 3HG1 VAL 82 HG23 VAL 82 -6.579 1.627 5.278 602 1HG2 VAL 82 HG11 VAL 82 -4.281 -1.048 3.607 603 2HG2 VAL 82 HG12 VAL 82 -5.942 -0.650 3.159 604 3HG2 VAL 82 HG13 VAL 82 -5.614 -2.060 4.174 605 H THR 83 HN THR 83 -2.555 -0.154 7.977 606 HA THR 83 HA THR 83 -4.035 1.974 9.341 607 HB THR 83 HB THR 83 -2.779 -0.232 10.942 608 HG1 THR 83 HG1 THR 83 -4.432 -1.509 10.644 609 1HG2 THR 83 HG21 THR 83 -3.959 2.103 11.694 610 2HG2 THR 83 HG22 THR 83 -3.783 0.669 12.706 611 3HG2 THR 83 HG23 THR 83 -5.286 0.948 11.827 612 H ASP 84 HN ASP 84 -1.233 1.220 7.874 613 HA ASP 84 HA ASP 84 0.568 2.180 9.939 614 1HB ASP 84 HB1 ASP 84 1.142 0.341 8.300 615 2HB ASP 84 HB2 ASP 84 1.227 1.584 7.060 616 H VAL 85 HN VAL 85 1.265 4.202 10.156 617 HA VAL 85 HA VAL 85 1.102 6.073 7.931 618 HB VAL 85 HB VAL 85 -1.071 6.129 9.270 619 1HG1 VAL 85 HG11 VAL 85 0.152 7.936 11.227 620 2HG1 VAL 85 HG12 VAL 85 0.556 6.233 11.441 621 3HG1 VAL 85 HG13 VAL 85 -1.132 6.743 11.426 622 1HG2 VAL 85 HG21 VAL 85 0.561 8.645 8.949 623 2HG2 VAL 85 HG22 VAL 85 -1.189 8.589 9.161 624 3HG2 VAL 85 HG23 VAL 85 -0.453 7.885 7.721 625 H ARG 86 HN ARG 86 2.522 7.811 8.094 626 HA ARG 86 HA ARG 86 4.093 8.139 10.499 627 1HB ARG 86 HB1 ARG 86 5.637 6.704 9.708 628 2HB ARG 86 HB2 ARG 86 4.992 6.773 8.080 629 1HG ARG 86 HG1 ARG 86 6.464 8.295 7.410 630 2HG ARG 86 HG2 ARG 86 6.384 9.180 8.931 631 1HD ARG 86 HD1 ARG 86 7.692 7.189 9.911 632 2HD ARG 86 HD2 ARG 86 8.025 6.771 8.230 633 HE ARG 86 HE ARG 86 8.721 9.436 9.248 634 1HH1 ARG 86 HH21 ARG 86 9.664 6.362 7.903 635 2HH1 ARG 86 HH22 ARG 86 11.285 6.864 7.560 636 1HH2 ARG 86 HH11 ARG 86 10.853 10.106 8.799 637 2HH2 ARG 86 HH12 ARG 86 11.961 8.993 8.069 638 H ARG 87 HN ARG 87 3.406 10.227 10.720 639 HA ARG 87 HA ARG 87 3.364 12.036 8.466 640 1HB ARG 87 HB2 ARG 87 2.750 12.504 11.386 641 2HB ARG 87 HB1 ARG 87 2.484 13.669 10.096 642 1HG ARG 87 HG2 ARG 87 0.390 12.760 10.392 643 2HG ARG 87 HG1 ARG 87 1.025 11.815 9.045 644 1HD ARG 87 HD1 ARG 87 0.978 9.918 10.209 645 2HD ARG 87 HD2 ARG 87 1.698 10.675 11.629 646 HE ARG 87 HE ARG 87 -1.163 10.493 11.019 647 1HH1 ARG 87 HH11 ARG 87 1.404 11.396 13.196 648 2HH1 ARG 87 HH12 ARG 87 0.354 11.582 14.562 649 1HH2 ARG 87 HH22 ARG 87 -2.552 10.735 12.810 650 2HH2 ARG 87 HH21 ARG 87 -1.894 11.207 14.342 651 H LEU 88 HN LEU 88 5.317 12.818 7.796 652 HA LEU 88 HA LEU 88 7.338 13.518 9.782 653 1HB LEU 88 HB1 LEU 88 7.970 14.406 7.108 654 2HB LEU 88 HB2 LEU 88 8.856 13.334 8.170 655 HG LEU 88 HG LEU 88 6.570 12.457 6.410 656 1HD1 LEU 88 HD11 LEU 88 9.402 11.735 5.874 657 2HD1 LEU 88 HD12 LEU 88 8.842 13.339 5.397 658 3HD1 LEU 88 HD13 LEU 88 8.045 11.900 4.760 659 1HD2 LEU 88 HD21 LEU 88 6.755 10.451 7.351 660 2HD2 LEU 88 HD22 LEU 88 7.690 11.244 8.622 661 3HD2 LEU 88 HD23 LEU 88 8.517 10.486 7.260 662 H MET 89 HN MET 89 6.368 15.238 10.855 663 HA MET 89 HA MET 89 5.612 17.586 9.289 664 1HB MET 89 HB2 MET 89 4.691 16.455 11.708 665 2HB MET 89 HB1 MET 89 5.421 17.998 12.127 666 1HG MET 89 HG1 MET 89 3.913 19.206 10.865 667 2HG MET 89 HG2 MET 89 3.497 17.824 9.854 668 1HE MET 89 HE1 MET 89 1.361 16.053 10.596 669 2HE MET 89 HE2 MET 89 1.446 15.617 12.303 670 3HE MET 89 HE3 MET 89 2.903 15.581 11.309 Start of MODEL 18 1 1H MET 1 HT1 MET 1 11.897 18.892 7.038 2 2H MET 1 HT2 MET 1 12.206 18.001 5.604 3 3H MET 1 HT3 MET 1 12.938 17.528 7.083 4 HA MET 1 HA MET 1 10.731 16.468 6.062 5 1HB MET 1 HB2 MET 1 12.365 16.227 8.277 6 2HB MET 1 HB1 MET 1 10.784 16.516 8.991 7 1HG MET 1 HG2 MET 1 10.402 14.350 8.757 8 2HG MET 1 HG1 MET 1 10.292 14.642 7.022 9 1HE MET 1 HE1 MET 1 11.791 13.795 5.317 10 2HE MET 1 HE2 MET 1 11.155 12.332 6.070 11 3HE MET 1 HE3 MET 1 12.863 12.433 5.641 12 H GLY 2 HN GLY 2 8.560 16.656 6.185 13 1HA GLY 2 HA1 GLY 2 7.055 18.084 8.036 14 2HA GLY 2 HA2 GLY 2 7.424 19.200 6.727 15 H ASP 3 HN ASP 3 7.410 16.215 5.404 16 HA ASP 3 HA ASP 3 4.758 16.623 4.263 17 1HB ASP 3 HB1 ASP 3 7.148 14.975 3.486 18 2HB ASP 3 HB2 ASP 3 5.565 14.635 2.791 19 H VAL 4 HN VAL 4 3.272 14.844 4.015 20 HA VAL 4 HA VAL 4 3.339 13.030 6.325 21 HB VAL 4 HB VAL 4 0.862 12.985 4.810 22 1HG1 VAL 4 HG21 VAL 4 0.695 12.111 6.927 23 2HG1 VAL 4 HG22 VAL 4 0.095 13.748 7.199 24 3HG1 VAL 4 HG23 VAL 4 1.753 13.333 7.633 25 1HG2 VAL 4 HG11 VAL 4 0.102 15.246 5.458 26 2HG2 VAL 4 HG12 VAL 4 1.385 15.276 4.250 27 3HG2 VAL 4 HG13 VAL 4 1.754 15.638 5.937 28 H VAL 5 HN VAL 5 3.632 10.897 6.039 29 HA VAL 5 HA VAL 5 3.275 9.801 3.322 30 HB VAL 5 HB VAL 5 5.539 9.367 5.254 31 1HG1 VAL 5 HG11 VAL 5 4.296 7.365 3.544 32 2HG1 VAL 5 HG12 VAL 5 5.497 7.176 4.823 33 3HG1 VAL 5 HG13 VAL 5 6.008 7.603 3.189 34 1HG2 VAL 5 HG21 VAL 5 6.909 9.809 3.304 35 2HG2 VAL 5 HG22 VAL 5 5.738 11.109 3.526 36 3HG2 VAL 5 HG23 VAL 5 5.474 9.886 2.283 37 H ALA 6 HN ALA 6 1.722 8.298 3.285 38 HA ALA 6 HA ALA 6 1.010 6.896 5.759 39 1HB ALA 6 HB1 ALA 6 -0.641 8.051 4.056 40 2HB ALA 6 HB2 ALA 6 -1.082 6.564 4.896 41 3HB ALA 6 HB3 ALA 6 -0.506 6.498 3.231 42 H THR 7 HN THR 7 0.369 4.496 5.400 43 HA THR 7 HA THR 7 2.063 3.214 3.405 44 HB THR 7 HB THR 7 2.243 2.399 6.296 45 HG1 THR 7 HG1 THR 7 4.344 3.383 6.153 46 1HG2 THR 7 HG21 THR 7 3.769 1.613 3.836 47 2HG2 THR 7 HG22 THR 7 2.851 0.581 4.937 48 3HG2 THR 7 HG23 THR 7 4.358 1.324 5.476 49 H ILE 8 HN ILE 8 1.213 1.525 2.515 50 HA ILE 8 HA ILE 8 -1.154 0.248 3.729 51 HB ILE 8 HB ILE 8 -0.634 0.504 0.774 52 1HG1 ILE 8 HG12 ILE 8 -0.698 2.767 1.879 53 2HG1 ILE 8 HG11 ILE 8 -1.963 2.499 0.685 54 1HG2 ILE 8 HG21 ILE 8 -2.297 -1.009 0.934 55 2HG2 ILE 8 HG22 ILE 8 -3.275 0.459 1.000 56 3HG2 ILE 8 HG23 ILE 8 -2.860 -0.394 2.490 57 1HD1 ILE 8 HD11 ILE 8 -2.506 3.617 2.976 58 2HD1 ILE 8 HD12 ILE 8 -2.544 1.950 3.552 59 3HD1 ILE 8 HD13 ILE 8 -3.628 2.461 2.257 60 H LYS 9 HN LYS 9 -0.509 -1.750 4.418 61 HA LYS 9 HA LYS 9 1.509 -3.220 2.882 62 1HB LYS 9 HB1 LYS 9 0.508 -4.443 5.351 63 2HB LYS 9 HB2 LYS 9 2.155 -4.189 4.797 64 1HG LYS 9 HG2 LYS 9 0.814 -1.714 5.545 65 2HG LYS 9 HG1 LYS 9 0.920 -2.875 6.864 66 1HD LYS 9 HD2 LYS 9 3.297 -2.182 5.178 67 2HD LYS 9 HD1 LYS 9 2.837 -1.223 6.584 68 1HE LYS 9 HE2 LYS 9 3.474 -4.170 6.581 69 2HE LYS 9 HE1 LYS 9 4.528 -2.884 7.168 70 1HZ LYS 9 HZ1 LYS 9 2.392 -4.198 8.500 71 2HZ LYS 9 HZ2 LYS 9 2.139 -2.526 8.479 72 3HZ LYS 9 HZ3 LYS 9 3.567 -3.158 9.131 73 H VAL 10 HN VAL 10 0.390 -4.100 1.182 74 HA VAL 10 HA VAL 10 -2.006 -5.660 1.716 75 HB VAL 10 HB VAL 10 -2.656 -5.103 -0.327 76 1HG1 VAL 10 HG21 VAL 10 -0.877 -3.201 0.422 77 2HG1 VAL 10 HG22 VAL 10 -1.923 -3.093 -0.994 78 3HG1 VAL 10 HG23 VAL 10 -0.257 -3.644 -1.169 79 1HG2 VAL 10 HG11 VAL 10 -1.807 -6.765 -1.620 80 2HG2 VAL 10 HG12 VAL 10 -0.139 -6.443 -1.138 81 3HG2 VAL 10 HG13 VAL 10 -0.931 -5.404 -2.322 82 H MET 11 HN MET 11 -2.206 -7.848 1.571 83 HA MET 11 HA MET 11 -0.035 -9.418 0.461 84 1HB MET 11 HB2 MET 11 0.909 -10.023 2.383 85 2HB MET 11 HB1 MET 11 -0.195 -8.965 3.248 86 1HG MET 11 HG1 MET 11 -1.050 -10.730 4.253 87 2HG MET 11 HG2 MET 11 -1.634 -11.314 2.699 88 1HE MET 11 HE1 MET 11 -0.901 -14.362 2.848 89 2HE MET 11 HE2 MET 11 -1.726 -13.325 4.012 90 3HE MET 11 HE3 MET 11 -0.379 -14.336 4.533 91 HA PRO 12 HA PRO 12 -3.679 -11.687 -0.839 92 1HB PRO 12 HB1 PRO 12 -1.699 -13.412 -2.182 93 2HB PRO 12 HB2 PRO 12 -2.995 -12.435 -2.880 94 1HG PRO 12 HG1 PRO 12 -0.436 -11.735 -3.182 95 2HG PRO 12 HG2 PRO 12 -1.699 -10.512 -2.936 96 1HD PRO 12 HD2 PRO 12 0.205 -11.687 -0.920 97 2HD PRO 12 HD1 PRO 12 -0.192 -9.979 -1.216 98 H GLU 13 HN GLU 13 -4.622 -13.034 0.525 99 HA GLU 13 HA GLU 13 -3.378 -14.656 2.404 100 1HB GLU 13 HB1 GLU 13 -6.143 -14.724 1.214 101 2HB GLU 13 HB2 GLU 13 -5.646 -15.839 2.479 102 1HG GLU 13 HG1 GLU 13 -5.113 -13.005 3.033 103 2HG GLU 13 HG2 GLU 13 -6.816 -13.446 2.915 104 H SER 14 HN SER 14 -4.153 -15.253 -0.923 105 HA SER 14 HA SER 14 -3.870 -18.105 -0.763 106 1HB SER 14 HB2 SER 14 -4.483 -16.116 -2.843 107 2HB SER 14 HB1 SER 14 -3.549 -17.496 -3.420 108 HG SER 14 HG SER 14 -5.241 -18.748 -2.183 109 HA PRO 15 HA PRO 15 0.516 -18.454 -1.061 110 1HB PRO 15 HB2 PRO 15 0.742 -20.742 -2.529 111 2HB PRO 15 HB1 PRO 15 0.307 -20.723 -0.817 112 1HG PRO 15 HG2 PRO 15 -1.463 -20.960 -3.221 113 2HG PRO 15 HG1 PRO 15 -1.532 -21.850 -1.688 114 1HD PRO 15 HD2 PRO 15 -3.179 -19.783 -2.222 115 2HD PRO 15 HD1 PRO 15 -2.582 -20.113 -0.582 116 H ASP 16 HN ASP 16 -1.488 -17.899 -3.708 117 HA ASP 16 HA ASP 16 0.689 -17.793 -5.653 118 1HB ASP 16 HB2 ASP 16 -2.180 -18.131 -5.792 119 2HB ASP 16 HB1 ASP 16 -1.663 -16.807 -6.832 120 H VAL 17 HN VAL 17 0.785 -15.990 -3.454 121 HA VAL 17 HA VAL 17 -0.216 -13.444 -4.163 122 HB VAL 17 HB VAL 17 0.204 -13.240 -1.996 123 1HG1 VAL 17 HG11 VAL 17 1.839 -15.588 -2.438 124 2HG1 VAL 17 HG12 VAL 17 0.762 -15.174 -1.104 125 3HG1 VAL 17 HG13 VAL 17 2.420 -14.566 -1.123 126 1HG2 VAL 17 HG21 VAL 17 2.223 -12.151 -1.357 127 2HG2 VAL 17 HG22 VAL 17 1.814 -11.632 -2.994 128 3HG2 VAL 17 HG23 VAL 17 3.088 -12.825 -2.740 129 H ASP 18 HN ASP 18 0.305 -13.053 -6.259 130 HA ASP 18 HA ASP 18 2.953 -13.192 -7.342 131 1HB ASP 18 HB1 ASP 18 0.341 -12.047 -8.275 132 2HB ASP 18 HB2 ASP 18 1.831 -11.698 -9.148 133 H LEU 19 HN LEU 19 4.483 -11.976 -6.531 134 HA LEU 19 HA LEU 19 4.141 -9.561 -5.173 135 1HB LEU 19 HB1 LEU 19 6.202 -11.312 -5.614 136 2HB LEU 19 HB2 LEU 19 6.712 -9.939 -6.575 137 HG LEU 19 HG LEU 19 7.714 -9.845 -4.376 138 1HD1 LEU 19 HD11 LEU 19 7.331 -7.610 -3.943 139 2HD1 LEU 19 HD12 LEU 19 5.612 -7.723 -4.318 140 3HD1 LEU 19 HD13 LEU 19 6.802 -7.768 -5.618 141 1HD2 LEU 19 HD21 LEU 19 6.462 -10.904 -2.817 142 2HD2 LEU 19 HD22 LEU 19 4.935 -10.352 -3.504 143 3HD2 LEU 19 HD23 LEU 19 5.900 -9.262 -2.508 144 H GLU 20 HN GLU 20 5.399 -10.087 -8.474 145 HA GLU 20 HA GLU 20 5.526 -7.309 -9.035 146 1HB GLU 20 HB2 GLU 20 6.087 -7.922 -11.276 147 2HB GLU 20 HB1 GLU 20 6.925 -8.996 -10.165 148 1HG GLU 20 HG2 GLU 20 4.326 -9.999 -11.010 149 2HG GLU 20 HG1 GLU 20 5.446 -9.739 -12.343 150 H ALA 21 HN ALA 21 3.070 -9.766 -9.565 151 HA ALA 21 HA ALA 21 1.464 -8.136 -11.279 152 1HB ALA 21 HB1 ALA 21 0.035 -10.099 -9.647 153 2HB ALA 21 HB2 ALA 21 1.377 -10.764 -10.578 154 3HB ALA 21 HB3 ALA 21 0.079 -9.896 -11.399 155 H LEU 22 HN LEU 22 1.818 -8.618 -7.857 156 HA LEU 22 HA LEU 22 -0.434 -7.087 -7.029 157 1HB LEU 22 HB2 LEU 22 1.197 -8.725 -5.691 158 2HB LEU 22 HB1 LEU 22 2.046 -7.230 -5.368 159 HG LEU 22 HG LEU 22 0.453 -6.459 -3.935 160 1HD1 LEU 22 HD21 LEU 22 -1.906 -6.787 -4.085 161 2HD1 LEU 22 HD22 LEU 22 -1.706 -8.076 -5.273 162 3HD1 LEU 22 HD23 LEU 22 -1.310 -6.412 -5.703 163 1HD2 LEU 22 HD11 LEU 22 0.386 -9.421 -3.917 164 2HD2 LEU 22 HD12 LEU 22 -0.774 -8.559 -2.901 165 3HD2 LEU 22 HD13 LEU 22 0.959 -8.290 -2.691 166 H LYS 23 HN LYS 23 2.866 -6.433 -7.892 167 HA LYS 23 HA LYS 23 3.165 -3.809 -6.987 168 1HB LYS 23 HB2 LYS 23 4.471 -5.597 -8.892 169 2HB LYS 23 HB1 LYS 23 4.498 -3.927 -9.439 170 1HG LYS 23 HG2 LYS 23 6.361 -3.788 -8.230 171 2HG LYS 23 HG1 LYS 23 5.273 -3.655 -6.848 172 1HD LYS 23 HD1 LYS 23 6.142 -5.516 -6.006 173 2HD LYS 23 HD2 LYS 23 5.591 -6.405 -7.428 174 1HE LYS 23 HE2 LYS 23 7.623 -6.195 -8.510 175 2HE LYS 23 HE1 LYS 23 8.104 -4.794 -7.555 176 1HZ LYS 23 HZ1 LYS 23 8.224 -6.349 -5.613 177 2HZ LYS 23 HZ2 LYS 23 9.390 -6.606 -6.811 178 3HZ LYS 23 HZ3 LYS 23 8.049 -7.631 -6.703 179 H LYS 24 HN LYS 24 1.907 -5.083 -10.043 180 HA LYS 24 HA LYS 24 1.348 -2.555 -11.196 181 1HB LYS 24 HB1 LYS 24 -0.124 -5.105 -11.840 182 2HB LYS 24 HB2 LYS 24 0.219 -3.750 -12.905 183 1HG LYS 24 HG1 LYS 24 2.661 -4.335 -12.664 184 2HG LYS 24 HG2 LYS 24 2.133 -5.824 -11.879 185 1HD LYS 24 HD1 LYS 24 0.832 -5.196 -14.450 186 2HD LYS 24 HD2 LYS 24 2.551 -5.592 -14.533 187 1HE LYS 24 HE1 LYS 24 2.177 -7.754 -14.113 188 2HE LYS 24 HE2 LYS 24 1.066 -7.389 -12.794 189 1HZ LYS 24 HZ1 LYS 24 -0.598 -6.856 -14.608 190 2HZ LYS 24 HZ2 LYS 24 -0.210 -8.489 -14.392 191 3HZ LYS 24 HZ3 LYS 24 0.464 -7.622 -15.679 192 H GLU 25 HN GLU 25 -0.601 -4.853 -9.331 193 HA GLU 25 HA GLU 25 -3.043 -3.416 -9.602 194 1HB GLU 25 HB1 GLU 25 -2.203 -5.406 -7.484 195 2HB GLU 25 HB2 GLU 25 -3.849 -4.867 -7.785 196 1HG GLU 25 HG2 GLU 25 -3.742 -5.835 -10.036 197 2HG GLU 25 HG1 GLU 25 -2.107 -6.404 -9.699 198 H ILE 26 HN ILE 26 -0.307 -3.127 -7.535 199 HA ILE 26 HA ILE 26 -1.502 -1.782 -5.368 200 HB ILE 26 HB ILE 26 1.259 -2.217 -6.338 201 1HG1 ILE 26 HG11 ILE 26 0.458 -2.085 -3.470 202 2HG1 ILE 26 HG12 ILE 26 -0.247 -3.363 -4.454 203 1HG2 ILE 26 HG21 ILE 26 1.900 -0.541 -4.369 204 2HG2 ILE 26 HG22 ILE 26 0.439 0.265 -4.939 205 3HG2 ILE 26 HG23 ILE 26 1.778 -0.024 -6.051 206 1HD1 ILE 26 HD11 ILE 26 2.206 -3.399 -3.171 207 2HD1 ILE 26 HD12 ILE 26 2.592 -3.181 -4.879 208 3HD1 ILE 26 HD13 ILE 26 1.610 -4.553 -4.365 209 H GLN 27 HN GLN 27 -0.041 -0.645 -8.380 210 HA GLN 27 HA GLN 27 -0.138 2.104 -7.791 211 1HB GLN 27 HB1 GLN 27 -0.340 0.853 -10.533 212 2HB GLN 27 HB2 GLN 27 0.230 2.471 -10.141 213 1HG GLN 27 HG1 GLN 27 1.895 0.889 -8.657 214 2HG GLN 27 HG2 GLN 27 1.644 -0.076 -10.111 215 1HE2 GLN 27 HE22 GLN 27 3.498 2.280 -8.736 216 2HE2 GLN 27 HE21 GLN 27 4.174 2.979 -10.164 217 H GLU 28 HN GLU 28 -2.512 -0.101 -9.180 218 HA GLU 28 HA GLU 28 -4.310 2.021 -9.910 219 1HB GLU 28 HB2 GLU 28 -5.833 0.315 -10.587 220 2HB GLU 28 HB1 GLU 28 -4.217 -0.126 -11.113 221 1HG GLU 28 HG2 GLU 28 -4.705 -2.102 -10.262 222 2HG GLU 28 HG1 GLU 28 -4.317 -1.352 -8.719 223 H ARG 29 HN ARG 29 -3.685 0.182 -7.084 224 HA ARG 29 HA ARG 29 -6.282 0.796 -5.926 225 1HB ARG 29 HB2 ARG 29 -5.850 -0.777 -4.320 226 2HB ARG 29 HB1 ARG 29 -4.889 -1.410 -5.643 227 1HG ARG 29 HG1 ARG 29 -2.896 -0.861 -4.639 228 2HG ARG 29 HG2 ARG 29 -3.619 0.417 -3.656 229 1HD ARG 29 HD2 ARG 29 -2.960 -1.653 -2.390 230 2HD ARG 29 HD1 ARG 29 -4.644 -1.167 -2.206 231 HE ARG 29 HE ARG 29 -5.296 -3.037 -3.445 232 1HH1 ARG 29 HH11 ARG 29 -1.830 -2.807 -3.171 233 2HH1 ARG 29 HH12 ARG 29 -1.553 -4.442 -3.671 234 1HH2 ARG 29 HH21 ARG 29 -4.937 -5.190 -4.102 235 2HH2 ARG 29 HH22 ARG 29 -3.318 -5.796 -4.201 236 H ILE 30 HN ILE 30 -3.275 2.257 -6.197 237 HA ILE 30 HA ILE 30 -2.976 3.489 -3.678 238 HB ILE 30 HB ILE 30 -2.050 4.258 -6.432 239 1HG1 ILE 30 HG11 ILE 30 -1.048 2.321 -5.137 240 2HG1 ILE 30 HG12 ILE 30 0.089 3.548 -5.675 241 1HG2 ILE 30 HG21 ILE 30 -2.365 6.060 -4.267 242 2HG2 ILE 30 HG22 ILE 30 -1.588 6.341 -5.825 243 3HG2 ILE 30 HG23 ILE 30 -0.636 5.752 -4.460 244 1HD1 ILE 30 HD11 ILE 30 0.606 2.835 -3.430 245 2HD1 ILE 30 HD12 ILE 30 -1.025 3.242 -2.898 246 3HD1 ILE 30 HD13 ILE 30 0.075 4.517 -3.420 247 HA PRO 31 HA PRO 31 -6.354 6.351 -3.353 248 1HB PRO 31 HB2 PRO 31 -4.815 8.489 -2.368 249 2HB PRO 31 HB1 PRO 31 -5.664 7.278 -1.409 250 1HG PRO 31 HG2 PRO 31 -2.797 7.394 -2.216 251 2HG PRO 31 HG1 PRO 31 -3.519 6.804 -0.707 252 1HD PRO 31 HD1 PRO 31 -2.622 5.092 -2.538 253 2HD PRO 31 HD2 PRO 31 -4.132 4.767 -1.659 254 H GLU 32 HN GLU 32 -7.148 7.189 -5.165 255 HA GLU 32 HA GLU 32 -5.684 8.295 -7.273 256 1HB GLU 32 HB1 GLU 32 -8.527 8.068 -6.531 257 2HB GLU 32 HB2 GLU 32 -8.150 9.395 -7.621 258 1HG GLU 32 HG2 GLU 32 -7.349 7.956 -9.281 259 2HG GLU 32 HG1 GLU 32 -7.211 6.601 -8.161 260 H GLY 33 HN GLY 33 -5.978 9.635 -4.295 261 1HA GLY 33 HA1 GLY 33 -6.482 12.367 -5.074 262 2HA GLY 33 HA2 GLY 33 -6.036 11.802 -3.472 263 H THR 34 HN THR 34 -3.625 10.509 -4.057 264 HA THR 34 HA THR 34 -1.972 12.682 -5.154 265 HB THR 34 HB THR 34 -0.920 11.110 -2.856 266 HG1 THR 34 HG1 THR 34 -2.722 13.277 -2.545 267 1HG2 THR 34 HG21 THR 34 -0.533 13.867 -2.530 268 2HG2 THR 34 HG22 THR 34 -0.225 13.508 -4.229 269 3HG2 THR 34 HG23 THR 34 0.657 12.642 -2.970 270 H GLU 35 HN GLU 35 0.344 10.917 -4.102 271 HA GLU 35 HA GLU 35 0.238 8.811 -6.145 272 1HB GLU 35 HB2 GLU 35 2.589 9.372 -6.757 273 2HB GLU 35 HB1 GLU 35 1.431 10.625 -7.184 274 1HG GLU 35 HG2 GLU 35 2.180 12.061 -5.530 275 2HG GLU 35 HG1 GLU 35 2.930 10.763 -4.603 276 H LEU 36 HN LEU 36 2.165 7.312 -5.902 277 HA LEU 36 HA LEU 36 2.188 6.382 -3.194 278 1HB LEU 36 HB1 LEU 36 3.957 4.736 -4.305 279 2HB LEU 36 HB2 LEU 36 2.230 4.537 -4.500 280 HG LEU 36 HG LEU 36 3.666 4.244 -6.570 281 1HD1 LEU 36 HD21 LEU 36 1.151 5.655 -6.241 282 2HD1 LEU 36 HD22 LEU 36 1.598 4.374 -7.369 283 3HD1 LEU 36 HD23 LEU 36 1.970 6.056 -7.751 284 1HD2 LEU 36 HD11 LEU 36 4.157 7.105 -6.005 285 2HD2 LEU 36 HD12 LEU 36 3.905 6.641 -7.687 286 3HD2 LEU 36 HD13 LEU 36 5.200 5.895 -6.751 287 H HIS 37 HN HIS 37 4.565 5.393 -2.602 288 HA HIS 37 HA HIS 37 6.481 7.624 -2.700 289 1HB HIS 37 HB1 HIS 37 5.332 7.662 -0.542 290 2HB HIS 37 HB2 HIS 37 5.711 5.969 -0.289 291 HD2 HIS 37 HD2 HIS 37 8.071 5.451 0.908 292 HE1 HIS 37 HE1 HIS 37 9.588 9.401 0.731 293 HE2 HIS 37 HE2 HIS 37 9.977 7.060 1.627 294 H LYS 38 HN LYS 38 6.458 4.502 -1.090 295 HA LYS 38 HA LYS 38 8.265 3.250 -2.924 296 1HB LYS 38 HB2 LYS 38 10.165 4.038 -2.030 297 2HB LYS 38 HB1 LYS 38 9.310 4.770 -0.683 298 1HG LYS 38 HG2 LYS 38 10.760 3.302 0.352 299 2HG LYS 38 HG1 LYS 38 9.250 2.391 0.296 300 1HD LYS 38 HD1 LYS 38 10.011 0.996 -1.403 301 2HD LYS 38 HD2 LYS 38 11.263 2.132 -1.908 302 1HE LYS 38 HE1 LYS 38 11.512 1.161 0.852 303 2HE LYS 38 HE2 LYS 38 11.699 -0.077 -0.389 304 1HZ LYS 38 HZ1 LYS 38 13.698 0.696 -0.904 305 2HZ LYS 38 HZ2 LYS 38 13.614 1.695 0.460 306 3HZ LYS 38 HZ3 LYS 38 13.139 2.286 -1.052 307 H ILE 39 HN ILE 39 7.928 1.114 -2.830 308 HA ILE 39 HA ILE 39 6.197 0.122 -0.721 309 HB ILE 39 HB ILE 39 7.094 -1.457 -3.106 310 1HG1 ILE 39 HG11 ILE 39 4.999 0.708 -2.917 311 2HG1 ILE 39 HG12 ILE 39 6.293 0.548 -4.098 312 1HG2 ILE 39 HG21 ILE 39 4.772 -2.410 -2.766 313 2HG2 ILE 39 HG22 ILE 39 4.736 -1.522 -1.241 314 3HG2 ILE 39 HG23 ILE 39 5.953 -2.771 -1.508 315 1HD1 ILE 39 HD11 ILE 39 4.641 -0.191 -5.412 316 2HD1 ILE 39 HD12 ILE 39 3.617 -0.644 -4.048 317 3HD1 ILE 39 HD13 ILE 39 4.916 -1.717 -4.572 318 H ASP 40 HN ASP 40 6.533 -1.887 0.340 319 HA ASP 40 HA ASP 40 9.369 -2.593 0.683 320 1HB ASP 40 HB2 ASP 40 7.088 -2.648 2.664 321 2HB ASP 40 HB1 ASP 40 8.709 -3.237 2.996 322 H GLU 41 HN GLU 41 9.894 -4.605 0.130 323 HA GLU 41 HA GLU 41 7.789 -6.544 -0.424 324 1HB GLU 41 HB2 GLU 41 9.816 -7.920 -1.225 325 2HB GLU 41 HB1 GLU 41 9.357 -6.502 -2.161 326 1HG GLU 41 HG2 GLU 41 11.162 -5.257 -1.399 327 2HG GLU 41 HG1 GLU 41 11.428 -6.322 -0.020 328 H GLU 42 HN GLU 42 7.388 -6.497 1.985 329 HA GLU 42 HA GLU 42 9.294 -8.141 3.475 330 1HB GLU 42 HB1 GLU 42 7.379 -6.041 4.179 331 2HB GLU 42 HB2 GLU 42 7.369 -7.414 5.279 332 1HG GLU 42 HG1 GLU 42 8.980 -5.342 5.603 333 2HG GLU 42 HG2 GLU 42 9.439 -6.988 6.065 334 HA PRO 43 HA PRO 43 6.490 -11.516 3.296 335 1HB PRO 43 HB1 PRO 43 7.833 -13.151 5.038 336 2HB PRO 43 HB2 PRO 43 8.349 -12.825 3.382 337 1HG PRO 43 HG2 PRO 43 9.577 -11.984 5.875 338 2HG PRO 43 HG1 PRO 43 10.204 -11.844 4.227 339 1HD PRO 43 HD1 PRO 43 8.916 -9.812 5.889 340 2HD PRO 43 HD2 PRO 43 9.820 -9.615 4.377 341 H ILE 44 HN ILE 44 5.076 -12.858 4.476 342 HA ILE 44 HA ILE 44 4.376 -11.857 7.158 343 HB ILE 44 HB ILE 44 2.276 -12.772 5.230 344 1HG1 ILE 44 HG12 ILE 44 3.640 -11.042 4.075 345 2HG1 ILE 44 HG11 ILE 44 1.992 -10.507 4.392 346 1HG2 ILE 44 HG21 ILE 44 1.783 -10.532 7.059 347 2HG2 ILE 44 HG22 ILE 44 2.192 -12.053 7.853 348 3HG2 ILE 44 HG23 ILE 44 0.823 -11.978 6.745 349 1HD1 ILE 44 HD11 ILE 44 4.504 -9.370 5.242 350 2HD1 ILE 44 HD12 ILE 44 3.443 -9.681 6.617 351 3HD1 ILE 44 HD13 ILE 44 2.880 -8.677 5.280 352 H ALA 45 HN ALA 45 2.792 -14.310 5.177 353 HA ALA 45 HA ALA 45 2.684 -16.188 7.295 354 1HB ALA 45 HB1 ALA 45 1.491 -17.547 5.849 355 2HB ALA 45 HB2 ALA 45 2.361 -16.973 4.427 356 3HB ALA 45 HB3 ALA 45 1.168 -15.936 5.207 357 H PHE 46 HN PHE 46 3.314 -18.556 5.655 358 HA PHE 46 HA PHE 46 6.047 -18.839 6.418 359 1HB PHE 46 HB2 PHE 46 4.017 -20.586 5.084 360 2HB PHE 46 HB1 PHE 46 5.715 -21.043 5.004 361 HD1 PHE 46 HD1 PHE 46 2.999 -20.197 7.385 362 HD2 PHE 46 HD2 PHE 46 6.733 -22.150 6.781 363 HE1 PHE 46 HE1 PHE 46 2.829 -21.207 9.622 364 HE2 PHE 46 HE2 PHE 46 6.569 -23.164 9.018 365 HZ PHE 46 HZ PHE 46 4.614 -22.693 10.441 366 H GLY 47 HN GLY 47 4.381 -18.045 3.462 367 1HA GLY 47 HA1 GLY 47 6.948 -17.433 2.220 368 2HA GLY 47 HA2 GLY 47 5.955 -18.629 1.404 369 H LEU 48 HN LEU 48 3.941 -16.429 2.909 370 HA LEU 48 HA LEU 48 3.406 -15.128 0.356 371 1HB LEU 48 HB2 LEU 48 1.800 -14.770 2.868 372 2HB LEU 48 HB1 LEU 48 1.287 -14.550 1.208 373 HG LEU 48 HG LEU 48 1.663 -17.115 2.727 374 1HD1 LEU 48 HD11 LEU 48 -0.543 -15.520 1.931 375 2HD1 LEU 48 HD12 LEU 48 -0.550 -17.055 2.800 376 3HD1 LEU 48 HD13 LEU 48 -0.616 -17.039 1.038 377 1HD2 LEU 48 HD21 LEU 48 2.827 -17.184 0.464 378 2HD2 LEU 48 HD22 LEU 48 1.217 -17.021 -0.240 379 3HD2 LEU 48 HD23 LEU 48 1.601 -18.413 0.775 380 H VAL 49 HN VAL 49 4.661 -13.412 -0.011 381 HA VAL 49 HA VAL 49 5.414 -11.643 2.167 382 HB VAL 49 HB VAL 49 6.279 -11.871 -0.703 383 1HG1 VAL 49 HG21 VAL 49 6.047 -9.454 -0.029 384 2HG1 VAL 49 HG22 VAL 49 7.662 -9.957 -0.525 385 3HG1 VAL 49 HG23 VAL 49 7.288 -9.757 1.186 386 1HG2 VAL 49 HG11 VAL 49 7.350 -12.597 1.932 387 2HG2 VAL 49 HG12 VAL 49 8.512 -11.861 0.828 388 3HG2 VAL 49 HG13 VAL 49 7.640 -13.317 0.349 389 H ALA 50 HN ALA 50 4.612 -9.690 2.541 390 HA ALA 50 HA ALA 50 2.498 -8.669 0.799 391 1HB ALA 50 HB1 ALA 50 2.041 -8.880 3.212 392 2HB ALA 50 HB2 ALA 50 1.912 -7.214 2.646 393 3HB ALA 50 HB3 ALA 50 3.342 -7.735 3.539 394 H LEU 51 HN LEU 51 2.414 -6.311 0.445 395 HA LEU 51 HA LEU 51 5.109 -5.171 0.135 396 1HB LEU 51 HB1 LEU 51 2.770 -5.214 -1.735 397 2HB LEU 51 HB2 LEU 51 3.905 -3.881 -1.804 398 HG LEU 51 HG LEU 51 5.740 -5.543 -2.158 399 1HD1 LEU 51 HD11 LEU 51 4.544 -7.442 -1.126 400 2HD1 LEU 51 HD12 LEU 51 5.201 -7.814 -2.719 401 3HD1 LEU 51 HD13 LEU 51 3.477 -7.496 -2.530 402 1HD2 LEU 51 HD21 LEU 51 5.253 -5.930 -4.482 403 2HD2 LEU 51 HD22 LEU 51 4.648 -4.339 -4.019 404 3HD2 LEU 51 HD23 LEU 51 3.528 -5.689 -4.197 405 H ASN 52 HN ASN 52 5.378 -3.493 1.439 406 HA ASN 52 HA ASN 52 3.065 -2.034 2.442 407 1HB ASN 52 HB1 ASN 52 5.931 -1.436 3.157 408 2HB ASN 52 HB2 ASN 52 4.481 -1.195 4.124 409 1HD2 ASN 52 HD22 ASN 52 3.388 -3.809 3.558 410 2HD2 ASN 52 HD21 ASN 52 4.332 -4.942 4.459 411 H VAL 53 HN VAL 53 2.404 -0.900 0.686 412 HA VAL 53 HA VAL 53 4.223 0.806 -0.761 413 HB VAL 53 HB VAL 53 1.231 0.795 -1.044 414 1HG1 VAL 53 HG21 VAL 53 1.993 1.152 -3.484 415 2HG1 VAL 53 HG22 VAL 53 3.559 1.546 -2.774 416 3HG1 VAL 53 HG23 VAL 53 2.134 2.496 -2.350 417 1HG2 VAL 53 HG11 VAL 53 2.028 -1.536 -1.065 418 2HG2 VAL 53 HG12 VAL 53 3.133 -1.123 -2.376 419 3HG2 VAL 53 HG13 VAL 53 1.391 -1.019 -2.626 420 H MET 54 HN MET 54 4.876 2.563 0.302 421 HA MET 54 HA MET 54 3.071 4.093 1.967 422 1HB MET 54 HB1 MET 54 5.944 4.572 1.145 423 2HB MET 54 HB2 MET 54 5.055 5.577 2.280 424 1HG MET 54 HG1 MET 54 4.870 3.762 3.833 425 2HG MET 54 HG2 MET 54 5.571 2.639 2.669 426 1HE MET 54 HE1 MET 54 7.466 1.720 4.134 427 2HE MET 54 HE2 MET 54 6.768 2.601 5.493 428 3HE MET 54 HE3 MET 54 8.497 2.711 5.164 429 H VAL 55 HN VAL 55 2.937 6.501 1.626 430 HA VAL 55 HA VAL 55 2.951 7.219 -1.216 431 HB VAL 55 HB VAL 55 0.729 7.993 -1.244 432 1HG1 VAL 55 HG11 VAL 55 1.064 5.307 -0.003 433 2HG1 VAL 55 HG12 VAL 55 0.543 5.738 -1.632 434 3HG1 VAL 55 HG13 VAL 55 -0.559 5.942 -0.271 435 1HG2 VAL 55 HG21 VAL 55 -0.744 7.959 0.749 436 2HG2 VAL 55 HG22 VAL 55 0.604 9.087 0.893 437 3HG2 VAL 55 HG23 VAL 55 0.658 7.536 1.732 438 H VAL 56 HN VAL 56 3.476 9.302 -1.645 439 HA VAL 56 HA VAL 56 4.204 10.967 0.653 440 HB VAL 56 HB VAL 56 4.784 11.952 -2.074 441 1HG1 VAL 56 HG11 VAL 56 6.815 11.620 0.068 442 2HG1 VAL 56 HG12 VAL 56 5.514 12.784 0.325 443 3HG1 VAL 56 HG13 VAL 56 6.577 12.943 -1.073 444 1HG2 VAL 56 HG21 VAL 56 6.874 10.427 -2.056 445 2HG2 VAL 56 HG22 VAL 56 5.344 9.781 -2.652 446 3HG2 VAL 56 HG23 VAL 56 5.895 9.383 -1.025 447 H VAL 57 HN VAL 57 2.593 12.220 1.359 448 HA VAL 57 HA VAL 57 1.057 13.736 -0.642 449 HB VAL 57 HB VAL 57 -0.911 13.666 0.768 450 1HG1 VAL 57 HG21 VAL 57 -1.610 11.580 0.142 451 2HG1 VAL 57 HG22 VAL 57 -0.120 10.800 0.669 452 3HG1 VAL 57 HG23 VAL 57 -0.150 11.718 -0.836 453 1HG2 VAL 57 HG11 VAL 57 0.939 12.858 2.775 454 2HG2 VAL 57 HG12 VAL 57 -0.296 11.610 2.612 455 3HG2 VAL 57 HG13 VAL 57 -0.765 13.277 2.946 456 H GLY 58 HN GLY 58 0.810 15.887 -0.293 457 1HA GLY 58 HA2 GLY 58 1.183 17.137 2.235 458 2HA GLY 58 HA1 GLY 58 2.630 17.292 1.250 459 H ASP 59 HN ASP 59 1.918 17.868 -1.179 460 HA ASP 59 HA ASP 59 0.663 20.455 -0.954 461 1HB ASP 59 HB2 ASP 59 2.663 20.153 -2.362 462 2HB ASP 59 HB1 ASP 59 1.774 19.021 -3.377 463 H ALA 60 HN ALA 60 -0.291 17.303 -1.677 464 HA ALA 60 HA ALA 60 -2.412 17.804 -3.490 465 1HB ALA 60 HB1 ALA 60 -2.782 15.574 -3.398 466 2HB ALA 60 HB2 ALA 60 -2.598 15.506 -1.645 467 3HB ALA 60 HB3 ALA 60 -1.171 15.590 -2.678 468 H GLU 61 HN GLU 61 -4.345 16.186 -1.834 469 HA GLU 61 HA GLU 61 -5.154 18.083 0.222 470 1HB GLU 61 HB1 GLU 61 -7.560 17.686 -0.995 471 2HB GLU 61 HB2 GLU 61 -6.561 19.117 -1.206 472 1HG GLU 61 HG1 GLU 61 -5.632 18.238 -3.235 473 2HG GLU 61 HG2 GLU 61 -6.447 16.695 -2.989 474 H GLY 62 HN GLY 62 -7.743 17.094 0.608 475 1HA GLY 62 HA1 GLY 62 -7.123 14.593 1.924 476 2HA GLY 62 HA2 GLY 62 -8.645 15.472 2.011 477 H GLY 63 HN GLY 63 -7.499 15.067 -1.143 478 1HA GLY 63 HA2 GLY 63 -9.711 13.438 -1.890 479 2HA GLY 63 HA1 GLY 63 -8.380 13.917 -2.931 480 H THR 64 HN THR 64 -6.956 12.548 -0.319 481 HA THR 64 HA THR 64 -6.331 10.143 -1.751 482 HB THR 64 HB THR 64 -4.743 9.713 -0.099 483 HG1 THR 64 HG1 THR 64 -4.971 10.898 1.997 484 1HG2 THR 64 HG21 THR 64 -3.837 11.956 0.678 485 2HG2 THR 64 HG22 THR 64 -5.156 12.672 -0.249 486 3HG2 THR 64 HG23 THR 64 -3.948 11.674 -1.060 487 H GLU 65 HN GLU 65 -8.938 11.047 0.009 488 HA GLU 65 HA GLU 65 -9.552 8.910 1.691 489 1HB GLU 65 HB2 GLU 65 -11.928 9.543 1.242 490 2HB GLU 65 HB1 GLU 65 -10.904 10.896 1.696 491 1HG GLU 65 HG2 GLU 65 -10.962 11.827 -0.400 492 2HG GLU 65 HG1 GLU 65 -11.322 10.290 -1.186 493 H ALA 66 HN ALA 66 -9.465 9.173 -1.719 494 HA ALA 66 HA ALA 66 -11.202 7.174 -2.544 495 1HB ALA 66 HB1 ALA 66 -8.555 7.866 -3.811 496 2HB ALA 66 HB2 ALA 66 -10.060 8.754 -4.055 497 3HB ALA 66 HB3 ALA 66 -9.927 7.079 -4.593 498 H ALA 67 HN ALA 67 -8.088 6.913 -1.027 499 HA ALA 67 HA ALA 67 -7.396 4.307 -1.788 500 1HB ALA 67 HB1 ALA 67 -6.772 5.857 0.719 501 2HB ALA 67 HB2 ALA 67 -5.760 5.668 -0.712 502 3HB ALA 67 HB3 ALA 67 -6.068 4.284 0.339 503 H GLU 68 HN GLU 68 -9.007 5.414 1.194 504 HA GLU 68 HA GLU 68 -9.646 2.873 2.183 505 1HB GLU 68 HB1 GLU 68 -11.021 5.537 2.577 506 2HB GLU 68 HB2 GLU 68 -11.414 4.088 3.491 507 1HG GLU 68 HG2 GLU 68 -8.805 4.139 3.960 508 2HG GLU 68 HG1 GLU 68 -9.046 5.858 3.656 509 H GLU 69 HN GLU 69 -11.216 4.940 -0.164 510 HA GLU 69 HA GLU 69 -13.714 3.634 -0.285 511 1HB GLU 69 HB1 GLU 69 -12.304 5.683 -1.763 512 2HB GLU 69 HB2 GLU 69 -13.138 4.592 -2.861 513 1HG GLU 69 HG2 GLU 69 -14.686 5.539 -0.537 514 2HG GLU 69 HG1 GLU 69 -14.278 6.746 -1.755 515 H SER 70 HN SER 70 -10.762 3.285 -2.220 516 HA SER 70 HA SER 70 -11.679 1.152 -3.824 517 1HB SER 70 HB1 SER 70 -9.508 2.738 -3.930 518 2HB SER 70 HB2 SER 70 -8.781 1.317 -3.179 519 HG SER 70 HG SER 70 -9.419 1.697 -5.738 520 H LEU 71 HN LEU 71 -10.703 1.347 -0.571 521 HA LEU 71 HA LEU 71 -9.784 -1.340 -0.239 522 1HB LEU 71 HB1 LEU 71 -10.062 1.020 1.361 523 2HB LEU 71 HB2 LEU 71 -10.795 -0.329 2.205 524 HG LEU 71 HG LEU 71 -8.475 -0.041 2.881 525 1HD1 LEU 71 HD11 LEU 71 -8.816 -2.508 1.185 526 2HD1 LEU 71 HD12 LEU 71 -9.442 -2.300 2.819 527 3HD1 LEU 71 HD13 LEU 71 -7.700 -2.307 2.537 528 1HD2 LEU 71 HD21 LEU 71 -6.656 -0.462 1.262 529 2HD2 LEU 71 HD22 LEU 71 -7.569 1.005 0.909 530 3HD2 LEU 71 HD23 LEU 71 -7.849 -0.458 -0.037 531 H SER 72 HN SER 72 -12.860 0.275 -0.167 532 HA SER 72 HA SER 72 -14.363 -1.698 1.184 533 1HB SER 72 HB1 SER 72 -14.874 0.815 0.264 534 2HB SER 72 HB2 SER 72 -15.751 -0.159 -0.916 535 HG SER 72 HG SER 72 -16.478 -1.266 1.212 536 H GLY 73 HN GLY 73 -12.828 -1.761 -1.789 537 1HA GLY 73 HA2 GLY 73 -14.169 -4.247 -2.504 538 2HA GLY 73 HA1 GLY 73 -14.256 -2.950 -3.688 539 H ILE 74 HN ILE 74 -11.506 -3.224 -1.651 540 HA ILE 74 HA ILE 74 -9.717 -3.442 -3.855 541 HB ILE 74 HB ILE 74 -9.429 -2.320 -1.501 542 1HG1 ILE 74 HG12 ILE 74 -6.831 -3.371 -1.974 543 2HG1 ILE 74 HG11 ILE 74 -7.634 -3.214 -3.534 544 1HG2 ILE 74 HG21 ILE 74 -8.440 -3.550 0.194 545 2HG2 ILE 74 HG22 ILE 74 -8.001 -4.875 -0.884 546 3HG2 ILE 74 HG23 ILE 74 -9.685 -4.639 -0.415 547 1HD1 ILE 74 HD11 ILE 74 -8.062 -0.882 -3.128 548 2HD1 ILE 74 HD12 ILE 74 -6.346 -1.220 -2.904 549 3HD1 ILE 74 HD13 ILE 74 -7.393 -1.012 -1.501 550 H GLU 75 HN GLU 75 -7.706 -5.090 -3.040 551 HA GLU 75 HA GLU 75 -8.329 -7.577 -4.021 552 1HB GLU 75 HB2 GLU 75 -6.100 -6.278 -2.705 553 2HB GLU 75 HB1 GLU 75 -6.241 -7.953 -2.176 554 1HG GLU 75 HG2 GLU 75 -4.767 -7.875 -4.041 555 2HG GLU 75 HG1 GLU 75 -6.273 -8.642 -4.547 556 H GLY 76 HN GLY 76 -10.180 -8.481 -3.163 557 1HA GLY 76 HA1 GLY 76 -10.801 -8.737 -0.442 558 2HA GLY 76 HA2 GLY 76 -11.423 -9.768 -1.724 559 H VAL 77 HN VAL 77 -8.637 -10.536 -2.462 560 HA VAL 77 HA VAL 77 -8.368 -12.697 -0.532 561 HB VAL 77 HB VAL 77 -8.250 -12.975 -3.082 562 1HG1 VAL 77 HG11 VAL 77 -5.457 -11.964 -2.589 563 2HG1 VAL 77 HG12 VAL 77 -6.692 -11.198 -3.589 564 3HG1 VAL 77 HG13 VAL 77 -6.011 -12.754 -4.065 565 1HG2 VAL 77 HG21 VAL 77 -6.372 -14.165 -1.079 566 2HG2 VAL 77 HG22 VAL 77 -6.284 -14.658 -2.771 567 3HG2 VAL 77 HG23 VAL 77 -7.779 -14.886 -1.864 568 H SER 78 HN SER 78 -6.531 -9.992 -1.823 569 HA SER 78 HA SER 78 -4.411 -10.414 0.135 570 1HB SER 78 HB2 SER 78 -4.356 -8.091 -1.734 571 2HB SER 78 HB1 SER 78 -3.045 -9.164 -1.248 572 HG SER 78 HG SER 78 -5.160 -9.852 -3.011 573 H ASN 79 HN ASN 79 -5.480 -9.827 2.058 574 HA ASN 79 HA ASN 79 -6.794 -7.251 2.226 575 1HB ASN 79 HB2 ASN 79 -7.261 -9.425 3.667 576 2HB ASN 79 HB1 ASN 79 -6.008 -8.732 4.693 577 1HD2 ASN 79 HD21 ASN 79 -6.497 -6.031 4.608 578 2HD2 ASN 79 HD22 ASN 79 -8.073 -5.703 5.228 579 H ILE 80 HN ILE 80 -5.967 -5.427 2.930 580 HA ILE 80 HA ILE 80 -3.093 -5.392 3.354 581 HB ILE 80 HB ILE 80 -4.926 -3.053 2.918 582 1HG1 ILE 80 HG11 ILE 80 -3.435 -3.762 0.574 583 2HG1 ILE 80 HG12 ILE 80 -4.382 -5.151 1.100 584 1HG2 ILE 80 HG21 ILE 80 -2.190 -3.299 3.500 585 2HG2 ILE 80 HG22 ILE 80 -3.097 -1.842 3.100 586 3HG2 ILE 80 HG23 ILE 80 -2.321 -2.774 1.822 587 1HD1 ILE 80 HD11 ILE 80 -6.392 -3.721 1.111 588 2HD1 ILE 80 HD12 ILE 80 -5.646 -3.869 -0.481 589 3HD1 ILE 80 HD13 ILE 80 -5.417 -2.400 0.469 590 H GLU 81 HN GLU 81 -2.104 -4.275 4.998 591 HA GLU 81 HA GLU 81 -3.665 -3.864 7.424 592 1HB GLU 81 HB2 GLU 81 -1.479 -5.044 7.587 593 2HB GLU 81 HB1 GLU 81 -0.681 -3.612 6.953 594 1HG GLU 81 HG1 GLU 81 -0.348 -3.183 9.131 595 2HG GLU 81 HG2 GLU 81 -1.974 -2.512 9.023 596 H VAL 82 HN VAL 82 -4.801 -2.216 6.189 597 HA VAL 82 HA VAL 82 -3.409 0.138 5.347 598 HB VAL 82 HB VAL 82 -6.375 -0.434 5.560 599 1HG1 VAL 82 HG21 VAL 82 -4.843 1.939 4.752 600 2HG1 VAL 82 HG22 VAL 82 -6.542 1.790 5.205 601 3HG1 VAL 82 HG23 VAL 82 -6.032 1.413 3.559 602 1HG2 VAL 82 HG11 VAL 82 -5.694 -1.960 4.009 603 2HG2 VAL 82 HG12 VAL 82 -4.327 -0.978 3.474 604 3HG2 VAL 82 HG13 VAL 82 -5.965 -0.555 2.973 605 H THR 83 HN THR 83 -2.695 -0.046 7.853 606 HA THR 83 HA THR 83 -4.178 2.108 9.173 607 HB THR 83 HB THR 83 -2.980 -0.131 10.782 608 HG1 THR 83 HG1 THR 83 -5.277 -0.841 10.871 609 1HG2 THR 83 HG21 THR 83 -5.047 1.968 11.314 610 2HG2 THR 83 HG22 THR 83 -3.519 1.689 12.149 611 3HG2 THR 83 HG23 THR 83 -4.848 0.545 12.337 612 H ASP 84 HN ASP 84 -1.376 1.340 7.746 613 HA ASP 84 HA ASP 84 0.421 2.268 9.826 614 1HB ASP 84 HB2 ASP 84 0.900 1.440 6.963 615 2HB ASP 84 HB1 ASP 84 2.172 1.962 8.065 616 H VAL 85 HN VAL 85 1.430 4.207 9.900 617 HA VAL 85 HA VAL 85 1.017 6.149 7.767 618 HB VAL 85 HB VAL 85 -0.894 6.273 9.468 619 1HG1 VAL 85 HG11 VAL 85 -0.546 6.860 11.606 620 2HG1 VAL 85 HG12 VAL 85 0.754 7.978 11.194 621 3HG1 VAL 85 HG13 VAL 85 1.084 6.251 11.321 622 1HG2 VAL 85 HG21 VAL 85 -1.188 8.476 8.962 623 2HG2 VAL 85 HG22 VAL 85 0.111 8.096 7.831 624 3HG2 VAL 85 HG23 VAL 85 0.478 8.903 9.356 625 H ARG 86 HN ARG 86 2.346 8.063 7.999 626 HA ARG 86 HA ARG 86 4.462 7.988 9.993 627 1HB ARG 86 HB1 ARG 86 4.888 7.552 7.054 628 2HB ARG 86 HB2 ARG 86 6.134 8.322 8.025 629 1HG ARG 86 HG2 ARG 86 5.516 6.120 9.516 630 2HG ARG 86 HG1 ARG 86 5.341 5.528 7.863 631 1HD ARG 86 HD2 ARG 86 7.623 6.777 7.515 632 2HD ARG 86 HD1 ARG 86 7.757 6.571 9.261 633 HE ARG 86 HE ARG 86 7.063 4.121 8.033 634 1HH1 ARG 86 HH12 ARG 86 9.749 6.301 8.466 635 2HH1 ARG 86 HH11 ARG 86 10.946 5.058 8.316 636 1HH2 ARG 86 HH22 ARG 86 8.632 2.481 7.837 637 2HH2 ARG 86 HH21 ARG 86 10.311 2.888 7.960 638 H ARG 87 HN ARG 87 3.677 9.961 10.727 639 HA ARG 87 HA ARG 87 3.376 12.192 8.923 640 1HB ARG 87 HB1 ARG 87 3.047 11.771 11.866 641 2HB ARG 87 HB2 ARG 87 3.209 13.411 11.254 642 1HG ARG 87 HG1 ARG 87 1.279 11.842 9.752 643 2HG ARG 87 HG2 ARG 87 0.875 11.979 11.465 644 1HD ARG 87 HD2 ARG 87 1.778 14.502 10.372 645 2HD ARG 87 HD1 ARG 87 0.397 13.865 9.481 646 HE ARG 87 HE ARG 87 -0.223 13.624 12.164 647 1HH1 ARG 87 HH22 ARG 87 0.503 16.192 9.922 648 2HH1 ARG 87 HH21 ARG 87 -0.463 17.364 10.753 649 1HH2 ARG 87 HH11 ARG 87 -1.498 15.162 13.263 650 2HH2 ARG 87 HH12 ARG 87 -1.601 16.779 12.651 651 H LEU 88 HN LEU 88 5.426 12.493 8.000 652 HA LEU 88 HA LEU 88 7.729 12.888 9.700 653 1HB LEU 88 HB1 LEU 88 8.115 13.855 7.016 654 2HB LEU 88 HB2 LEU 88 8.931 12.560 7.865 655 HG LEU 88 HG LEU 88 6.259 12.183 6.534 656 1HD1 LEU 88 HD11 LEU 88 8.703 11.168 5.233 657 2HD1 LEU 88 HD12 LEU 88 8.434 12.910 5.136 658 3HD1 LEU 88 HD13 LEU 88 7.212 11.791 4.526 659 1HD2 LEU 88 HD21 LEU 88 8.178 9.982 6.818 660 2HD2 LEU 88 HD22 LEU 88 6.436 10.022 7.105 661 3HD2 LEU 88 HD23 LEU 88 7.548 10.629 8.336 662 H MET 89 HN MET 89 7.197 14.654 10.981 663 HA MET 89 HA MET 89 6.592 17.191 9.667 664 1HB MET 89 HB1 MET 89 6.491 17.966 12.142 665 2HB MET 89 HB2 MET 89 5.201 16.949 11.513 666 1HG MET 89 HG2 MET 89 6.157 15.006 12.558 667 2HG MET 89 HG1 MET 89 7.558 15.936 13.085 668 1HE MET 89 HE1 MET 89 3.551 15.345 13.978 669 2HE MET 89 HE2 MET 89 3.874 16.643 12.828 670 3HE MET 89 HE3 MET 89 3.342 17.028 14.465 Start of MODEL 19 1 1H MET 1 HT1 MET 1 11.002 13.139 7.155 2 2H MET 1 HT2 MET 1 10.094 14.383 7.909 3 3H MET 1 HT3 MET 1 11.789 14.287 8.156 4 HA MET 1 HA MET 1 12.278 15.231 6.249 5 1HB MET 1 HB1 MET 1 11.414 13.334 4.979 6 2HB MET 1 HB2 MET 1 9.776 13.951 5.136 7 1HG MET 1 HG1 MET 1 10.675 14.411 2.933 8 2HG MET 1 HG2 MET 1 10.374 15.908 3.815 9 1HE MET 1 HE1 MET 1 12.298 14.368 1.454 10 2HE MET 1 HE2 MET 1 13.903 15.098 1.483 11 3HE MET 1 HE3 MET 1 12.483 16.102 1.192 12 H GLY 2 HN GLY 2 8.765 15.356 5.860 13 1HA GLY 2 HA2 GLY 2 8.182 17.682 7.244 14 2HA GLY 2 HA1 GLY 2 8.705 18.187 5.641 15 H ASP 3 HN ASP 3 7.631 15.476 4.734 16 HA ASP 3 HA ASP 3 4.896 16.407 4.238 17 1HB ASP 3 HB1 ASP 3 6.659 14.414 2.814 18 2HB ASP 3 HB2 ASP 3 4.936 14.563 2.477 19 H VAL 4 HN VAL 4 3.198 14.679 4.139 20 HA VAL 4 HA VAL 4 3.536 12.870 6.421 21 HB VAL 4 HB VAL 4 1.281 14.370 5.339 22 1HG1 VAL 4 HG11 VAL 4 1.030 11.451 5.615 23 2HG1 VAL 4 HG12 VAL 4 0.077 12.599 4.673 24 3HG1 VAL 4 HG13 VAL 4 -0.223 12.414 6.401 25 1HG2 VAL 4 HG21 VAL 4 1.637 14.956 7.487 26 2HG2 VAL 4 HG22 VAL 4 2.327 13.386 7.910 27 3HG2 VAL 4 HG23 VAL 4 0.576 13.587 7.820 28 H VAL 5 HN VAL 5 4.034 10.830 6.003 29 HA VAL 5 HA VAL 5 3.332 9.724 3.367 30 HB VAL 5 HB VAL 5 5.585 9.074 5.258 31 1HG1 VAL 5 HG11 VAL 5 4.659 6.962 4.455 32 2HG1 VAL 5 HG12 VAL 5 6.239 7.276 3.736 33 3HG1 VAL 5 HG13 VAL 5 4.773 7.537 2.791 34 1HG2 VAL 5 HG21 VAL 5 5.389 10.163 2.467 35 2HG2 VAL 5 HG22 VAL 5 6.883 9.469 3.095 36 3HG2 VAL 5 HG23 VAL 5 6.167 10.877 3.878 37 H ALA 6 HN ALA 6 1.765 8.251 3.314 38 HA ALA 6 HA ALA 6 1.021 6.841 5.777 39 1HB ALA 6 HB1 ALA 6 -1.001 7.435 4.994 40 2HB ALA 6 HB2 ALA 6 -0.806 6.049 3.921 41 3HB ALA 6 HB3 ALA 6 -0.404 7.668 3.350 42 H THR 7 HN THR 7 0.388 4.448 5.418 43 HA THR 7 HA THR 7 2.044 3.204 3.363 44 HB THR 7 HB THR 7 2.252 2.336 6.236 45 HG1 THR 7 HG1 THR 7 4.363 3.301 6.072 46 1HG2 THR 7 HG21 THR 7 3.734 1.571 3.746 47 2HG2 THR 7 HG22 THR 7 2.827 0.531 4.849 48 3HG2 THR 7 HG23 THR 7 4.346 1.257 5.373 49 H ILE 8 HN ILE 8 1.185 1.546 2.437 50 HA ILE 8 HA ILE 8 -1.178 0.244 3.630 51 HB ILE 8 HB ILE 8 -0.705 0.356 0.672 52 1HG1 ILE 8 HG12 ILE 8 -0.505 2.697 1.695 53 2HG1 ILE 8 HG11 ILE 8 -1.714 2.486 0.433 54 1HG2 ILE 8 HG21 ILE 8 -2.581 -0.786 0.773 55 2HG2 ILE 8 HG22 ILE 8 -3.375 0.716 1.252 56 3HG2 ILE 8 HG23 ILE 8 -2.804 -0.415 2.483 57 1HD1 ILE 8 HD11 ILE 8 -2.496 3.853 2.328 58 2HD1 ILE 8 HD12 ILE 8 -2.305 2.452 3.383 59 3HD1 ILE 8 HD13 ILE 8 -3.477 2.412 2.065 60 H LYS 9 HN LYS 9 -0.466 -1.720 4.358 61 HA LYS 9 HA LYS 9 1.544 -3.183 2.811 62 1HB LYS 9 HB1 LYS 9 0.598 -4.392 5.306 63 2HB LYS 9 HB2 LYS 9 2.232 -4.120 4.723 64 1HG LYS 9 HG2 LYS 9 0.840 -1.669 5.491 65 2HG LYS 9 HG1 LYS 9 1.044 -2.817 6.809 66 1HD LYS 9 HD2 LYS 9 3.333 -2.096 5.028 67 2HD LYS 9 HD1 LYS 9 2.882 -1.078 6.396 68 1HE LYS 9 HE1 LYS 9 3.255 -2.852 7.941 69 2HE LYS 9 HE2 LYS 9 3.454 -4.022 6.635 70 1HZ LYS 9 HZ1 LYS 9 5.312 -2.048 6.153 71 2HZ LYS 9 HZ2 LYS 9 5.614 -3.603 6.750 72 3HZ LYS 9 HZ3 LYS 9 5.387 -2.315 7.823 73 H VAL 10 HN VAL 10 0.387 -4.061 1.131 74 HA VAL 10 HA VAL 10 -2.007 -5.605 1.697 75 HB VAL 10 HB VAL 10 -2.631 -5.198 -0.406 76 1HG1 VAL 10 HG21 VAL 10 -2.082 -3.106 -0.929 77 2HG1 VAL 10 HG22 VAL 10 -0.410 -3.550 -1.272 78 3HG1 VAL 10 HG23 VAL 10 -0.904 -3.185 0.383 79 1HG2 VAL 10 HG11 VAL 10 -0.944 -5.413 -2.363 80 2HG2 VAL 10 HG12 VAL 10 -1.502 -6.867 -1.537 81 3HG2 VAL 10 HG13 VAL 10 0.084 -6.194 -1.162 82 H MET 11 HN MET 11 -2.233 -7.793 1.603 83 HA MET 11 HA MET 11 -0.063 -9.409 0.551 84 1HB MET 11 HB2 MET 11 0.850 -9.963 2.502 85 2HB MET 11 HB1 MET 11 -0.265 -8.884 3.324 86 1HG MET 11 HG1 MET 11 -1.098 -10.634 4.374 87 2HG MET 11 HG2 MET 11 -1.716 -11.223 2.835 88 1HE MET 11 HE1 MET 11 -1.834 -13.233 4.101 89 2HE MET 11 HE2 MET 11 -0.506 -14.267 4.626 90 3HE MET 11 HE3 MET 11 -1.014 -14.273 2.937 91 HA PRO 12 HA PRO 12 -3.722 -11.658 -0.757 92 1HB PRO 12 HB1 PRO 12 -1.738 -13.400 -2.071 93 2HB PRO 12 HB2 PRO 12 -3.035 -12.437 -2.784 94 1HG PRO 12 HG1 PRO 12 -0.475 -11.736 -3.087 95 2HG PRO 12 HG2 PRO 12 -1.743 -10.513 -2.869 96 1HD PRO 12 HD2 PRO 12 0.167 -11.636 -0.831 97 2HD PRO 12 HD1 PRO 12 -0.258 -9.938 -1.150 98 H GLU 13 HN GLU 13 -4.707 -13.057 0.508 99 HA GLU 13 HA GLU 13 -3.508 -14.642 2.457 100 1HB GLU 13 HB1 GLU 13 -6.184 -14.199 1.427 101 2HB GLU 13 HB2 GLU 13 -5.940 -15.878 1.887 102 1HG GLU 13 HG1 GLU 13 -5.273 -13.581 3.703 103 2HG GLU 13 HG2 GLU 13 -6.862 -14.345 3.662 104 H SER 14 HN SER 14 -4.210 -15.296 -0.891 105 HA SER 14 HA SER 14 -3.869 -18.140 -0.660 106 1HB SER 14 HB2 SER 14 -4.580 -16.233 -2.765 107 2HB SER 14 HB1 SER 14 -3.548 -17.543 -3.339 108 HG SER 14 HG SER 14 -6.118 -17.648 -2.942 109 HA PRO 15 HA PRO 15 0.527 -18.387 -0.917 110 1HB PRO 15 HB2 PRO 15 0.815 -20.695 -2.351 111 2HB PRO 15 HB1 PRO 15 0.387 -20.657 -0.637 112 1HG PRO 15 HG2 PRO 15 -1.385 -20.985 -3.028 113 2HG PRO 15 HG1 PRO 15 -1.424 -21.848 -1.479 114 1HD PRO 15 HD2 PRO 15 -3.133 -19.841 -2.037 115 2HD PRO 15 HD1 PRO 15 -2.509 -20.114 -0.397 116 H ASP 16 HN ASP 16 -1.477 -17.896 -3.563 117 HA ASP 16 HA ASP 16 0.680 -17.790 -5.524 118 1HB ASP 16 HB2 ASP 16 -2.314 -17.537 -5.694 119 2HB ASP 16 HB1 ASP 16 -1.282 -17.052 -7.036 120 H VAL 17 HN VAL 17 0.745 -15.985 -3.297 121 HA VAL 17 HA VAL 17 -0.225 -13.435 -4.036 122 HB VAL 17 HB VAL 17 0.144 -13.248 -1.855 123 1HG1 VAL 17 HG11 VAL 17 1.867 -15.553 -2.277 124 2HG1 VAL 17 HG12 VAL 17 0.698 -15.208 -1.001 125 3HG1 VAL 17 HG13 VAL 17 2.329 -14.537 -0.911 126 1HG2 VAL 17 HG21 VAL 17 2.138 -12.129 -1.185 127 2HG2 VAL 17 HG22 VAL 17 1.745 -11.614 -2.827 128 3HG2 VAL 17 HG23 VAL 17 3.033 -12.789 -2.555 129 H ASP 18 HN ASP 18 0.360 -13.076 -6.133 130 HA ASP 18 HA ASP 18 3.051 -13.226 -7.102 131 1HB ASP 18 HB1 ASP 18 0.610 -11.845 -8.233 132 2HB ASP 18 HB2 ASP 18 2.139 -12.045 -9.084 133 H LEU 19 HN LEU 19 4.512 -11.973 -6.158 134 HA LEU 19 HA LEU 19 4.023 -9.509 -4.927 135 1HB LEU 19 HB1 LEU 19 6.073 -11.212 -4.895 136 2HB LEU 19 HB2 LEU 19 6.714 -10.081 -6.071 137 HG LEU 19 HG LEU 19 5.700 -9.101 -3.426 138 1HD1 LEU 19 HD21 LEU 19 8.444 -9.262 -3.174 139 2HD1 LEU 19 HD22 LEU 19 7.995 -10.817 -3.877 140 3HD1 LEU 19 HD23 LEU 19 7.257 -10.287 -2.365 141 1HD2 LEU 19 HD11 LEU 19 7.739 -8.109 -5.410 142 2HD2 LEU 19 HD12 LEU 19 7.403 -7.353 -3.852 143 3HD2 LEU 19 HD13 LEU 19 6.146 -7.422 -5.089 144 H GLU 20 HN GLU 20 5.542 -10.185 -8.080 145 HA GLU 20 HA GLU 20 5.785 -7.447 -8.762 146 1HB GLU 20 HB1 GLU 20 7.266 -8.892 -9.844 147 2HB GLU 20 HB2 GLU 20 5.995 -10.005 -10.321 148 1HG GLU 20 HG1 GLU 20 6.013 -9.034 -12.309 149 2HG GLU 20 HG2 GLU 20 5.328 -7.600 -11.545 150 H ALA 21 HN ALA 21 3.318 -9.872 -9.386 151 HA ALA 21 HA ALA 21 1.840 -8.270 -11.233 152 1HB ALA 21 HB1 ALA 21 1.681 -10.830 -10.752 153 2HB ALA 21 HB2 ALA 21 0.247 -9.926 -11.239 154 3HB ALA 21 HB3 ALA 21 0.504 -10.325 -9.540 155 H LEU 22 HN LEU 22 1.948 -8.627 -7.778 156 HA LEU 22 HA LEU 22 -0.391 -7.141 -7.149 157 1HB LEU 22 HB2 LEU 22 1.203 -8.691 -5.687 158 2HB LEU 22 HB1 LEU 22 1.978 -7.166 -5.329 159 HG LEU 22 HG LEU 22 0.304 -6.476 -3.968 160 1HD1 LEU 22 HD21 LEU 22 -1.579 -7.852 -5.857 161 2HD1 LEU 22 HD22 LEU 22 -1.431 -6.130 -5.508 162 3HD1 LEU 22 HD23 LEU 22 -2.114 -7.221 -4.300 163 1HD2 LEU 22 HD11 LEU 22 0.857 -8.469 -2.889 164 2HD2 LEU 22 HD12 LEU 22 -0.010 -9.453 -4.069 165 3HD2 LEU 22 HD13 LEU 22 -0.908 -8.457 -2.919 166 H LYS 23 HN LYS 23 2.898 -6.362 -7.890 167 HA LYS 23 HA LYS 23 3.109 -3.745 -6.975 168 1HB LYS 23 HB2 LYS 23 4.463 -5.461 -8.912 169 2HB LYS 23 HB1 LYS 23 4.456 -3.779 -9.416 170 1HG LYS 23 HG2 LYS 23 6.318 -3.647 -8.194 171 2HG LYS 23 HG1 LYS 23 5.212 -3.537 -6.823 172 1HD LYS 23 HD2 LYS 23 5.477 -5.813 -6.297 173 2HD LYS 23 HD1 LYS 23 6.227 -6.167 -7.856 174 1HE LYS 23 HE2 LYS 23 7.949 -6.136 -6.204 175 2HE LYS 23 HE1 LYS 23 8.125 -4.691 -7.197 176 1HZ LYS 23 HZ1 LYS 23 7.042 -3.404 -5.479 177 2HZ LYS 23 HZ2 LYS 23 8.379 -4.214 -4.833 178 3HZ LYS 23 HZ3 LYS 23 6.817 -4.787 -4.532 179 H LYS 24 HN LYS 24 1.904 -4.975 -10.074 180 HA LYS 24 HA LYS 24 1.295 -2.432 -11.165 181 1HB LYS 24 HB1 LYS 24 -0.221 -4.883 -11.971 182 2HB LYS 24 HB2 LYS 24 0.396 -3.575 -12.971 183 1HG LYS 24 HG1 LYS 24 2.723 -4.532 -12.198 184 2HG LYS 24 HG2 LYS 24 1.776 -5.999 -11.949 185 1HD LYS 24 HD1 LYS 24 1.557 -4.485 -14.521 186 2HD LYS 24 HD2 LYS 24 2.912 -5.584 -14.248 187 1HE LYS 24 HE1 LYS 24 1.619 -7.294 -14.821 188 2HE LYS 24 HE2 LYS 24 0.568 -6.941 -13.449 189 1HZ LYS 24 HZ1 LYS 24 -0.856 -6.835 -15.245 190 2HZ LYS 24 HZ2 LYS 24 0.281 -6.103 -16.260 191 3HZ LYS 24 HZ3 LYS 24 -0.453 -5.207 -15.027 192 H GLU 25 HN GLU 25 -0.600 -4.824 -9.363 193 HA GLU 25 HA GLU 25 -3.092 -3.485 -9.626 194 1HB GLU 25 HB1 GLU 25 -2.226 -5.323 -7.388 195 2HB GLU 25 HB2 GLU 25 -3.875 -4.961 -7.878 196 1HG GLU 25 HG2 GLU 25 -2.963 -5.916 -10.191 197 2HG GLU 25 HG1 GLU 25 -1.888 -6.780 -9.092 198 H ILE 26 HN ILE 26 -0.372 -3.140 -7.535 199 HA ILE 26 HA ILE 26 -1.544 -1.739 -5.407 200 HB ILE 26 HB ILE 26 1.210 -2.127 -6.439 201 1HG1 ILE 26 HG12 ILE 26 0.447 -2.099 -3.558 202 2HG1 ILE 26 HG11 ILE 26 -0.232 -3.367 -4.573 203 1HG2 ILE 26 HG21 ILE 26 1.498 0.161 -6.143 204 2HG2 ILE 26 HG22 ILE 26 1.998 -0.512 -4.592 205 3HG2 ILE 26 HG23 ILE 26 0.404 0.220 -4.761 206 1HD1 ILE 26 HD11 ILE 26 2.156 -3.495 -3.290 207 2HD1 ILE 26 HD12 ILE 26 2.642 -2.991 -4.908 208 3HD1 ILE 26 HD13 ILE 26 1.702 -4.468 -4.689 209 H GLN 27 HN GLN 27 -0.050 -0.602 -8.421 210 HA GLN 27 HA GLN 27 -0.209 2.146 -7.870 211 1HB GLN 27 HB1 GLN 27 -0.277 0.692 -10.521 212 2HB GLN 27 HB2 GLN 27 -0.048 2.426 -10.340 213 1HG GLN 27 HG1 GLN 27 1.851 1.184 -8.678 214 2HG GLN 27 HG2 GLN 27 1.879 0.326 -10.218 215 1HE2 GLN 27 HE22 GLN 27 3.624 2.403 -8.754 216 2HE2 GLN 27 HE21 GLN 27 3.994 3.547 -9.995 217 H GLU 28 HN GLU 28 -2.524 -0.129 -9.199 218 HA GLU 28 HA GLU 28 -4.421 1.853 -9.996 219 1HB GLU 28 HB1 GLU 28 -5.078 -1.022 -9.407 220 2HB GLU 28 HB2 GLU 28 -5.829 0.054 -10.578 221 1HG GLU 28 HG1 GLU 28 -3.054 -1.100 -10.741 222 2HG GLU 28 HG2 GLU 28 -4.455 -1.606 -11.683 223 H ARG 29 HN ARG 29 -3.694 0.256 -7.021 224 HA ARG 29 HA ARG 29 -6.285 0.911 -5.871 225 1HB ARG 29 HB2 ARG 29 -5.775 -0.531 -4.144 226 2HB ARG 29 HB1 ARG 29 -4.926 -1.264 -5.491 227 1HG ARG 29 HG1 ARG 29 -2.832 -0.365 -4.731 228 2HG ARG 29 HG2 ARG 29 -3.641 0.530 -3.438 229 1HD ARG 29 HD2 ARG 29 -2.883 -1.372 -2.326 230 2HD ARG 29 HD1 ARG 29 -4.526 -1.819 -2.746 231 HE ARG 29 HE ARG 29 -2.072 -2.894 -3.875 232 1HH1 ARG 29 HH21 ARG 29 -5.549 -2.706 -4.017 233 2HH1 ARG 29 HH22 ARG 29 -5.715 -4.145 -4.966 234 1HH2 ARG 29 HH11 ARG 29 -2.284 -4.787 -5.122 235 2HH2 ARG 29 HH12 ARG 29 -3.861 -5.327 -5.594 236 H ILE 30 HN ILE 30 -3.227 2.335 -6.161 237 HA ILE 30 HA ILE 30 -2.929 3.656 -3.722 238 HB ILE 30 HB ILE 30 -2.085 4.421 -6.510 239 1HG1 ILE 30 HG11 ILE 30 -1.049 2.448 -5.321 240 2HG1 ILE 30 HG12 ILE 30 0.083 3.692 -5.836 241 1HG2 ILE 30 HG21 ILE 30 -1.478 6.467 -5.899 242 2HG2 ILE 30 HG22 ILE 30 -0.614 5.846 -4.493 243 3HG2 ILE 30 HG23 ILE 30 -2.336 6.221 -4.377 244 1HD1 ILE 30 HD11 ILE 30 0.748 4.093 -3.752 245 2HD1 ILE 30 HD12 ILE 30 -0.041 2.567 -3.350 246 3HD1 ILE 30 HD13 ILE 30 -0.901 4.090 -3.127 247 HA PRO 31 HA PRO 31 -6.292 6.559 -3.442 248 1HB PRO 31 HB2 PRO 31 -4.787 8.677 -2.402 249 2HB PRO 31 HB1 PRO 31 -5.601 7.425 -1.466 250 1HG PRO 31 HG2 PRO 31 -2.743 7.612 -2.305 251 2HG PRO 31 HG1 PRO 31 -3.432 7.015 -0.783 252 1HD PRO 31 HD1 PRO 31 -2.536 5.312 -2.624 253 2HD PRO 31 HD2 PRO 31 -4.025 4.966 -1.716 254 H GLU 32 HN GLU 32 -6.989 7.328 -5.338 255 HA GLU 32 HA GLU 32 -5.441 8.489 -7.350 256 1HB GLU 32 HB1 GLU 32 -8.295 8.109 -6.796 257 2HB GLU 32 HB2 GLU 32 -7.948 9.510 -7.800 258 1HG GLU 32 HG2 GLU 32 -6.421 7.274 -8.718 259 2HG GLU 32 HG1 GLU 32 -8.118 6.818 -8.576 260 H GLY 33 HN GLY 33 -5.962 9.825 -4.398 261 1HA GLY 33 HA1 GLY 33 -6.516 12.533 -5.226 262 2HA GLY 33 HA2 GLY 33 -6.153 11.992 -3.595 263 H THR 34 HN THR 34 -3.660 10.747 -4.126 264 HA THR 34 HA THR 34 -2.021 13.012 -5.046 265 HB THR 34 HB THR 34 -0.958 11.407 -2.796 266 HG1 THR 34 HG1 THR 34 -3.192 13.114 -2.560 267 1HG2 THR 34 HG21 THR 34 -0.465 13.770 -1.957 268 2HG2 THR 34 HG22 THR 34 -0.934 14.293 -3.576 269 3HG2 THR 34 HG23 THR 34 0.421 13.184 -3.366 270 H GLU 35 HN GLU 35 0.281 11.211 -3.943 271 HA GLU 35 HA GLU 35 0.285 9.201 -6.083 272 1HB GLU 35 HB1 GLU 35 2.568 11.101 -5.509 273 2HB GLU 35 HB2 GLU 35 2.584 9.799 -6.689 274 1HG GLU 35 HG1 GLU 35 0.340 11.538 -7.139 275 2HG GLU 35 HG2 GLU 35 1.846 12.456 -7.095 276 H LEU 36 HN LEU 36 2.130 7.651 -5.828 277 HA LEU 36 HA LEU 36 2.113 6.651 -3.149 278 1HB LEU 36 HB1 LEU 36 3.753 4.947 -4.210 279 2HB LEU 36 HB2 LEU 36 2.071 4.944 -4.701 280 HG LEU 36 HG LEU 36 3.736 6.666 -6.373 281 1HD1 LEU 36 HD11 LEU 36 5.463 5.067 -5.960 282 2HD1 LEU 36 HD12 LEU 36 4.794 4.744 -7.559 283 3HD1 LEU 36 HD13 LEU 36 4.346 3.723 -6.194 284 1HD2 LEU 36 HD21 LEU 36 1.594 4.632 -6.656 285 2HD2 LEU 36 HD22 LEU 36 2.621 4.954 -8.052 286 3HD2 LEU 36 HD23 LEU 36 1.702 6.266 -7.313 287 H HIS 37 HN HIS 37 4.467 5.601 -2.573 288 HA HIS 37 HA HIS 37 6.430 7.790 -2.593 289 1HB HIS 37 HB1 HIS 37 5.239 7.758 -0.432 290 2HB HIS 37 HB2 HIS 37 5.683 6.074 -0.218 291 HD2 HIS 37 HD2 HIS 37 8.072 5.627 0.950 292 HE1 HIS 37 HE1 HIS 37 9.439 9.630 0.827 293 HE2 HIS 37 HE2 HIS 37 9.924 7.291 1.679 294 H LYS 38 HN LYS 38 6.352 4.620 -1.065 295 HA LYS 38 HA LYS 38 8.115 3.393 -2.954 296 1HB LYS 38 HB2 LYS 38 10.071 3.931 -2.033 297 2HB LYS 38 HB1 LYS 38 9.245 4.939 -0.863 298 1HG LYS 38 HG2 LYS 38 10.400 3.577 0.538 299 2HG LYS 38 HG1 LYS 38 8.909 2.647 0.383 300 1HD LYS 38 HD1 LYS 38 9.881 1.039 -0.919 301 2HD LYS 38 HD2 LYS 38 11.094 2.143 -1.570 302 1HE LYS 38 HE2 LYS 38 11.896 0.341 0.053 303 2HE LYS 38 HE1 LYS 38 12.427 1.997 0.347 304 1HZ LYS 38 HZ1 LYS 38 10.832 2.235 2.073 305 2HZ LYS 38 HZ2 LYS 38 11.655 0.784 2.357 306 3HZ LYS 38 HZ3 LYS 38 10.096 0.758 1.701 307 H ILE 39 HN ILE 39 7.865 1.226 -2.879 308 HA ILE 39 HA ILE 39 6.090 0.177 -0.821 309 HB ILE 39 HB ILE 39 7.032 -1.333 -3.235 310 1HG1 ILE 39 HG11 ILE 39 4.901 0.792 -3.005 311 2HG1 ILE 39 HG12 ILE 39 6.197 0.672 -4.190 312 1HG2 ILE 39 HG21 ILE 39 4.827 -2.434 -2.951 313 2HG2 ILE 39 HG22 ILE 39 4.572 -1.469 -1.495 314 3HG2 ILE 39 HG23 ILE 39 5.891 -2.639 -1.559 315 1HD1 ILE 39 HD11 ILE 39 4.546 -0.056 -5.515 316 2HD1 ILE 39 HD12 ILE 39 3.539 -0.566 -4.158 317 3HD1 ILE 39 HD13 ILE 39 4.856 -1.598 -4.718 318 H ASP 40 HN ASP 40 6.450 -1.919 0.140 319 HA ASP 40 HA ASP 40 9.309 -2.573 0.470 320 1HB ASP 40 HB1 ASP 40 7.653 -1.529 2.399 321 2HB ASP 40 HB2 ASP 40 7.531 -3.260 2.703 322 H GLU 41 HN GLU 41 9.861 -4.638 0.124 323 HA GLU 41 HA GLU 41 7.742 -6.581 -0.413 324 1HB GLU 41 HB1 GLU 41 10.730 -6.889 -0.793 325 2HB GLU 41 HB2 GLU 41 9.475 -7.955 -1.411 326 1HG GLU 41 HG1 GLU 41 8.877 -6.518 -3.084 327 2HG GLU 41 HG2 GLU 41 9.425 -5.091 -2.203 328 H GLU 42 HN GLU 42 7.295 -6.472 1.977 329 HA GLU 42 HA GLU 42 9.197 -8.041 3.556 330 1HB GLU 42 HB1 GLU 42 7.291 -5.908 4.158 331 2HB GLU 42 HB2 GLU 42 7.226 -7.247 5.297 332 1HG GLU 42 HG1 GLU 42 8.866 -5.194 5.602 333 2HG GLU 42 HG2 GLU 42 9.283 -6.830 6.128 334 HA PRO 43 HA PRO 43 6.409 -11.437 3.458 335 1HB PRO 43 HB1 PRO 43 7.731 -12.984 5.306 336 2HB PRO 43 HB2 PRO 43 8.240 -12.766 3.631 337 1HG PRO 43 HG2 PRO 43 9.511 -11.813 6.047 338 2HG PRO 43 HG1 PRO 43 10.097 -11.718 4.380 339 1HD PRO 43 HD1 PRO 43 8.809 -9.654 6.013 340 2HD PRO 43 HD2 PRO 43 9.718 -9.485 4.502 341 H ILE 44 HN ILE 44 4.960 -12.717 4.652 342 HA ILE 44 HA ILE 44 4.227 -11.627 7.289 343 HB ILE 44 HB ILE 44 2.162 -12.608 5.353 344 1HG1 ILE 44 HG12 ILE 44 3.505 -10.891 4.176 345 2HG1 ILE 44 HG11 ILE 44 1.864 -10.341 4.499 346 1HG2 ILE 44 HG21 ILE 44 2.156 -10.738 7.713 347 2HG2 ILE 44 HG22 ILE 44 1.375 -12.313 7.575 348 3HG2 ILE 44 HG23 ILE 44 0.777 -10.946 6.635 349 1HD1 ILE 44 HD11 ILE 44 4.419 -9.275 5.412 350 2HD1 ILE 44 HD12 ILE 44 3.229 -9.453 6.702 351 3HD1 ILE 44 HD13 ILE 44 2.843 -8.492 5.274 352 H ALA 45 HN ALA 45 2.668 -14.154 5.386 353 HA ALA 45 HA ALA 45 2.539 -15.947 7.577 354 1HB ALA 45 HB1 ALA 45 0.929 -15.862 5.667 355 2HB ALA 45 HB2 ALA 45 1.512 -17.479 6.062 356 3HB ALA 45 HB3 ALA 45 2.165 -16.624 4.665 357 H PHE 46 HN PHE 46 3.161 -18.375 6.016 358 HA PHE 46 HA PHE 46 5.880 -18.664 6.818 359 1HB PHE 46 HB2 PHE 46 3.818 -20.414 5.565 360 2HB PHE 46 HB1 PHE 46 5.505 -20.895 5.410 361 HD1 PHE 46 HD1 PHE 46 6.643 -21.906 7.190 362 HD2 PHE 46 HD2 PHE 46 2.868 -20.062 7.866 363 HE1 PHE 46 HE1 PHE 46 6.575 -22.883 9.447 364 HE2 PHE 46 HE2 PHE 46 2.792 -21.035 10.125 365 HZ PHE 46 HZ PHE 46 4.648 -22.449 10.917 366 H GLY 47 HN GLY 47 4.267 -17.943 3.814 367 1HA GLY 47 HA1 GLY 47 6.858 -17.387 2.597 368 2HA GLY 47 HA2 GLY 47 5.873 -18.604 1.802 369 H LEU 48 HN LEU 48 3.824 -16.368 3.186 370 HA LEU 48 HA LEU 48 3.354 -15.140 0.588 371 1HB LEU 48 HB2 LEU 48 1.706 -14.718 3.067 372 2HB LEU 48 HB1 LEU 48 1.223 -14.504 1.396 373 HG LEU 48 HG LEU 48 1.549 -17.063 2.939 374 1HD1 LEU 48 HD11 LEU 48 -0.662 -16.962 2.987 375 2HD1 LEU 48 HD12 LEU 48 -0.699 -17.001 1.223 376 3HD1 LEU 48 HD13 LEU 48 -0.629 -15.455 2.070 377 1HD2 LEU 48 HD21 LEU 48 1.274 -16.882 -0.056 378 2HD2 LEU 48 HD22 LEU 48 1.380 -18.345 0.924 379 3HD2 LEU 48 HD23 LEU 48 2.774 -17.273 0.785 380 H VAL 49 HN VAL 49 4.621 -13.446 0.189 381 HA VAL 49 HA VAL 49 5.347 -11.609 2.318 382 HB VAL 49 HB VAL 49 6.250 -11.901 -0.537 383 1HG1 VAL 49 HG21 VAL 49 6.996 -9.814 -0.612 384 2HG1 VAL 49 HG22 VAL 49 7.892 -10.058 0.887 385 3HG1 VAL 49 HG23 VAL 49 6.223 -9.492 0.940 386 1HG2 VAL 49 HG11 VAL 49 8.392 -11.901 1.275 387 2HG2 VAL 49 HG12 VAL 49 7.733 -13.272 0.383 388 3HG2 VAL 49 HG13 VAL 49 7.132 -12.901 1.999 389 H ALA 50 HN ALA 50 4.544 -9.646 2.606 390 HA ALA 50 HA ALA 50 2.467 -8.679 0.795 391 1HB ALA 50 HB1 ALA 50 1.785 -7.236 2.575 392 2HB ALA 50 HB2 ALA 50 3.260 -7.574 3.483 393 3HB ALA 50 HB3 ALA 50 2.056 -8.841 3.254 394 H LEU 51 HN LEU 51 2.379 -6.325 0.385 395 HA LEU 51 HA LEU 51 5.072 -5.175 0.070 396 1HB LEU 51 HB1 LEU 51 2.748 -5.280 -1.823 397 2HB LEU 51 HB2 LEU 51 3.872 -3.937 -1.909 398 HG LEU 51 HG LEU 51 5.725 -5.557 -2.252 399 1HD1 LEU 51 HD11 LEU 51 5.188 -7.871 -2.803 400 2HD1 LEU 51 HD12 LEU 51 3.494 -7.576 -2.415 401 3HD1 LEU 51 HD13 LEU 51 4.719 -7.479 -1.150 402 1HD2 LEU 51 HD21 LEU 51 3.429 -5.657 -4.197 403 2HD2 LEU 51 HD22 LEU 51 5.064 -6.207 -4.557 404 3HD2 LEU 51 HD23 LEU 51 4.768 -4.510 -4.181 405 H ASN 52 HN ASN 52 5.313 -3.476 1.340 406 HA ASN 52 HA ASN 52 2.984 -2.028 2.317 407 1HB ASN 52 HB1 ASN 52 5.827 -1.357 3.040 408 2HB ASN 52 HB2 ASN 52 4.367 -1.208 4.015 409 1HD2 ASN 52 HD22 ASN 52 3.384 -3.843 3.421 410 2HD2 ASN 52 HD21 ASN 52 4.384 -4.957 4.282 411 H VAL 53 HN VAL 53 2.318 -0.894 0.566 412 HA VAL 53 HA VAL 53 4.118 0.826 -0.881 413 HB VAL 53 HB VAL 53 1.120 0.789 -1.133 414 1HG1 VAL 53 HG21 VAL 53 1.494 1.577 -3.335 415 2HG1 VAL 53 HG22 VAL 53 3.220 1.223 -3.244 416 3HG1 VAL 53 HG23 VAL 53 2.538 2.537 -2.285 417 1HG2 VAL 53 HG11 VAL 53 2.275 -1.523 -1.202 418 2HG2 VAL 53 HG12 VAL 53 2.893 -0.983 -2.762 419 3HG2 VAL 53 HG13 VAL 53 1.154 -1.086 -2.493 420 H MET 54 HN MET 54 4.782 2.568 0.202 421 HA MET 54 HA MET 54 2.992 4.080 1.895 422 1HB MET 54 HB1 MET 54 5.881 4.449 1.095 423 2HB MET 54 HB2 MET 54 5.020 5.598 2.109 424 1HG MET 54 HG1 MET 54 5.455 4.385 3.899 425 2HG MET 54 HG2 MET 54 4.644 2.995 3.183 426 1HE MET 54 HE1 MET 54 6.259 0.986 4.123 427 2HE MET 54 HE2 MET 54 6.609 2.353 5.181 428 3HE MET 54 HE3 MET 54 7.930 1.399 4.507 429 H VAL 55 HN VAL 55 2.844 6.484 1.603 430 HA VAL 55 HA VAL 55 2.839 7.273 -1.219 431 HB VAL 55 HB VAL 55 0.608 8.010 -1.233 432 1HG1 VAL 55 HG11 VAL 55 0.800 5.605 -1.500 433 2HG1 VAL 55 HG12 VAL 55 -0.706 6.017 -0.680 434 3HG1 VAL 55 HG13 VAL 55 0.657 5.386 0.244 435 1HG2 VAL 55 HG21 VAL 55 -0.858 7.994 0.742 436 2HG2 VAL 55 HG22 VAL 55 0.527 9.067 0.950 437 3HG2 VAL 55 HG23 VAL 55 0.510 7.488 1.734 438 H VAL 56 HN VAL 56 3.206 9.423 -1.604 439 HA VAL 56 HA VAL 56 4.042 11.008 0.707 440 HB VAL 56 HB VAL 56 4.319 11.885 -2.154 441 1HG1 VAL 56 HG11 VAL 56 4.957 13.038 0.282 442 2HG1 VAL 56 HG12 VAL 56 5.544 13.538 -1.304 443 3HG1 VAL 56 HG13 VAL 56 6.495 12.423 -0.323 444 1HG2 VAL 56 HG21 VAL 56 5.279 9.731 -2.248 445 2HG2 VAL 56 HG22 VAL 56 6.038 9.918 -0.667 446 3HG2 VAL 56 HG23 VAL 56 6.627 10.850 -2.044 447 H VAL 57 HN VAL 57 2.267 11.920 1.618 448 HA VAL 57 HA VAL 57 0.649 13.668 -0.108 449 HB VAL 57 HB VAL 57 -1.325 13.176 1.282 450 1HG1 VAL 57 HG21 VAL 57 -0.329 11.726 -0.800 451 2HG1 VAL 57 HG22 VAL 57 -1.939 11.523 -0.108 452 3HG1 VAL 57 HG23 VAL 57 -0.619 10.472 0.407 453 1HG2 VAL 57 HG11 VAL 57 0.189 10.843 2.405 454 2HG2 VAL 57 HG12 VAL 57 -1.382 11.474 2.895 455 3HG2 VAL 57 HG13 VAL 57 0.083 12.389 3.247 456 H GLY 58 HN GLY 58 0.120 15.649 0.694 457 1HA GLY 58 HA2 GLY 58 0.178 16.380 3.393 458 2HA GLY 58 HA1 GLY 58 1.739 16.778 2.696 459 H ASP 59 HN ASP 59 1.409 17.884 0.405 460 HA ASP 59 HA ASP 59 -0.084 20.293 0.948 461 1HB ASP 59 HB2 ASP 59 2.214 20.234 -0.125 462 2HB ASP 59 HB1 ASP 59 1.429 19.614 -1.575 463 H ALA 60 HN ALA 60 -0.802 17.353 -0.379 464 HA ALA 60 HA ALA 60 -2.464 18.066 -2.564 465 1HB ALA 60 HB1 ALA 60 -3.075 15.823 -2.643 466 2HB ALA 60 HB2 ALA 60 -2.834 15.601 -0.910 467 3HB ALA 60 HB3 ALA 60 -1.443 15.789 -1.975 468 H GLU 61 HN GLU 61 -4.657 16.269 -1.390 469 HA GLU 61 HA GLU 61 -5.942 18.091 0.486 470 1HB GLU 61 HB1 GLU 61 -8.055 17.712 -1.109 471 2HB GLU 61 HB2 GLU 61 -6.976 19.089 -1.284 472 1HG GLU 61 HG1 GLU 61 -5.686 17.612 -2.936 473 2HG GLU 61 HG2 GLU 61 -7.127 16.597 -2.936 474 H GLY 62 HN GLY 62 -8.481 17.012 0.436 475 1HA GLY 62 HA1 GLY 62 -8.009 14.492 1.771 476 2HA GLY 62 HA2 GLY 62 -9.551 15.327 1.626 477 H GLY 63 HN GLY 63 -7.919 15.041 -1.315 478 1HA GLY 63 HA2 GLY 63 -9.929 13.355 -2.424 479 2HA GLY 63 HA1 GLY 63 -8.474 13.907 -3.239 480 H THR 64 HN THR 64 -7.184 12.615 -0.624 481 HA THR 64 HA THR 64 -6.450 10.190 -1.962 482 HB THR 64 HB THR 64 -4.834 9.934 -0.356 483 HG1 THR 64 HG1 THR 64 -6.791 10.885 1.401 484 1HG2 THR 64 HG21 THR 64 -5.273 12.597 -1.044 485 2HG2 THR 64 HG22 THR 64 -3.788 11.874 -0.424 486 3HG2 THR 64 HG23 THR 64 -4.948 12.597 0.689 487 H GLU 65 HN GLU 65 -9.116 11.056 -0.234 488 HA GLU 65 HA GLU 65 -9.681 8.905 1.453 489 1HB GLU 65 HB2 GLU 65 -12.066 9.464 0.997 490 2HB GLU 65 HB1 GLU 65 -11.092 10.862 1.423 491 1HG GLU 65 HG2 GLU 65 -10.897 11.393 -0.990 492 2HG GLU 65 HG1 GLU 65 -12.006 10.064 -1.328 493 H ALA 66 HN ALA 66 -9.561 9.178 -1.952 494 HA ALA 66 HA ALA 66 -11.223 7.142 -2.824 495 1HB ALA 66 HB1 ALA 66 -10.128 8.700 -4.344 496 2HB ALA 66 HB2 ALA 66 -9.807 7.033 -4.819 497 3HB ALA 66 HB3 ALA 66 -8.563 7.967 -3.987 498 H ALA 67 HN ALA 67 -8.088 6.959 -1.310 499 HA ALA 67 HA ALA 67 -7.377 4.346 -2.006 500 1HB ALA 67 HB1 ALA 67 -6.650 5.109 0.719 501 2HB ALA 67 HB2 ALA 67 -6.249 6.327 -0.493 502 3HB ALA 67 HB3 ALA 67 -5.626 4.684 -0.651 503 H GLU 68 HN GLU 68 -8.946 5.490 0.988 504 HA GLU 68 HA GLU 68 -9.534 2.953 2.016 505 1HB GLU 68 HB1 GLU 68 -11.106 5.502 2.440 506 2HB GLU 68 HB2 GLU 68 -11.109 4.087 3.484 507 1HG GLU 68 HG2 GLU 68 -8.840 4.470 4.123 508 2HG GLU 68 HG1 GLU 68 -8.670 5.757 2.931 509 H GLU 69 HN GLU 69 -11.185 4.974 -0.316 510 HA GLU 69 HA GLU 69 -13.683 3.659 -0.326 511 1HB GLU 69 HB1 GLU 69 -12.421 5.760 -1.770 512 2HB GLU 69 HB2 GLU 69 -13.029 4.604 -2.947 513 1HG GLU 69 HG1 GLU 69 -15.121 4.862 -1.178 514 2HG GLU 69 HG2 GLU 69 -14.462 6.493 -1.274 515 H SER 70 HN SER 70 -10.796 3.291 -2.349 516 HA SER 70 HA SER 70 -11.764 1.115 -3.873 517 1HB SER 70 HB1 SER 70 -9.672 2.707 -4.207 518 2HB SER 70 HB2 SER 70 -8.840 1.429 -3.320 519 HG SER 70 HG SER 70 -8.716 0.564 -5.241 520 H LEU 71 HN LEU 71 -10.652 1.410 -0.673 521 HA LEU 71 HA LEU 71 -9.676 -1.246 -0.303 522 1HB LEU 71 HB1 LEU 71 -9.971 1.149 1.252 523 2HB LEU 71 HB2 LEU 71 -10.617 -0.207 2.151 524 HG LEU 71 HG LEU 71 -8.312 0.125 2.764 525 1HD1 LEU 71 HD11 LEU 71 -8.106 -2.070 2.944 526 2HD1 LEU 71 HD12 LEU 71 -7.644 -2.185 1.246 527 3HD1 LEU 71 HD13 LEU 71 -9.345 -2.282 1.706 528 1HD2 LEU 71 HD21 LEU 71 -6.509 -0.132 1.083 529 2HD2 LEU 71 HD22 LEU 71 -7.498 1.308 0.840 530 3HD2 LEU 71 HD23 LEU 71 -7.735 -0.109 -0.183 531 H SER 72 HN SER 72 -12.786 0.305 -0.150 532 HA SER 72 HA SER 72 -14.192 -1.661 1.305 533 1HB SER 72 HB1 SER 72 -14.787 0.803 0.159 534 2HB SER 72 HB2 SER 72 -15.792 -0.335 -0.741 535 HG SER 72 HG SER 72 -15.690 -0.526 2.053 536 H GLY 73 HN GLY 73 -12.798 -1.748 -1.757 537 1HA GLY 73 HA2 GLY 73 -14.043 -4.324 -2.310 538 2HA GLY 73 HA1 GLY 73 -14.273 -3.075 -3.524 539 H ILE 74 HN ILE 74 -11.396 -3.212 -1.633 540 HA ILE 74 HA ILE 74 -9.729 -3.347 -3.933 541 HB ILE 74 HB ILE 74 -9.343 -2.208 -1.615 542 1HG1 ILE 74 HG11 ILE 74 -6.830 -3.483 -2.503 543 2HG1 ILE 74 HG12 ILE 74 -7.762 -2.672 -3.758 544 1HG2 ILE 74 HG21 ILE 74 -8.252 -3.382 0.051 545 2HG2 ILE 74 HG22 ILE 74 -7.812 -4.707 -1.026 546 3HG2 ILE 74 HG23 ILE 74 -9.483 -4.522 -0.491 547 1HD1 ILE 74 HD11 ILE 74 -5.993 -1.304 -2.594 548 2HD1 ILE 74 HD12 ILE 74 -7.039 -1.335 -1.174 549 3HD1 ILE 74 HD13 ILE 74 -7.606 -0.596 -2.671 550 H GLU 75 HN GLU 75 -7.593 -4.940 -3.020 551 HA GLU 75 HA GLU 75 -8.112 -7.421 -4.121 552 1HB GLU 75 HB2 GLU 75 -5.946 -6.119 -2.734 553 2HB GLU 75 HB1 GLU 75 -6.102 -7.783 -2.169 554 1HG GLU 75 HG1 GLU 75 -5.759 -6.882 -5.017 555 2HG GLU 75 HG2 GLU 75 -4.548 -7.670 -4.005 556 H GLY 76 HN GLY 76 -9.953 -8.384 -3.408 557 1HA GLY 76 HA2 GLY 76 -10.819 -8.666 -0.777 558 2HA GLY 76 HA1 GLY 76 -11.265 -9.734 -2.100 559 H VAL 77 HN VAL 77 -8.517 -10.583 -2.593 560 HA VAL 77 HA VAL 77 -8.379 -12.599 -0.507 561 HB VAL 77 HB VAL 77 -8.053 -12.870 -3.134 562 1HG1 VAL 77 HG11 VAL 77 -5.918 -11.368 -2.830 563 2HG1 VAL 77 HG12 VAL 77 -5.925 -12.724 -3.957 564 3HG1 VAL 77 HG13 VAL 77 -5.177 -12.900 -2.369 565 1HG2 VAL 77 HG21 VAL 77 -6.876 -14.981 -2.669 566 2HG2 VAL 77 HG22 VAL 77 -8.173 -14.689 -1.510 567 3HG2 VAL 77 HG23 VAL 77 -6.494 -14.404 -1.045 568 H SER 78 HN SER 78 -6.504 -9.929 -1.781 569 HA SER 78 HA SER 78 -4.419 -10.349 0.207 570 1HB SER 78 HB2 SER 78 -4.390 -8.047 -1.705 571 2HB SER 78 HB1 SER 78 -3.047 -9.030 -1.127 572 HG SER 78 HG SER 78 -4.151 -10.768 -2.407 573 H ASN 79 HN ASN 79 -5.496 -9.766 2.120 574 HA ASN 79 HA ASN 79 -6.832 -7.208 2.292 575 1HB ASN 79 HB2 ASN 79 -7.248 -9.350 3.773 576 2HB ASN 79 HB1 ASN 79 -5.945 -8.671 4.744 577 1HD2 ASN 79 HD21 ASN 79 -6.442 -5.938 4.600 578 2HD2 ASN 79 HD22 ASN 79 -7.975 -5.607 5.322 579 H ILE 80 HN ILE 80 -5.993 -5.362 2.884 580 HA ILE 80 HA ILE 80 -3.113 -5.307 3.242 581 HB ILE 80 HB ILE 80 -4.873 -2.923 2.803 582 1HG1 ILE 80 HG12 ILE 80 -3.736 -4.663 0.610 583 2HG1 ILE 80 HG11 ILE 80 -5.411 -4.746 1.141 584 1HG2 ILE 80 HG21 ILE 80 -2.013 -3.619 2.324 585 2HG2 ILE 80 HG22 ILE 80 -2.688 -2.283 3.254 586 3HG2 ILE 80 HG23 ILE 80 -2.781 -2.273 1.492 587 1HD1 ILE 80 HD11 ILE 80 -4.071 -2.784 -0.561 588 2HD1 ILE 80 HD12 ILE 80 -5.149 -2.095 0.653 589 3HD1 ILE 80 HD13 ILE 80 -5.763 -3.278 -0.503 590 H GLU 81 HN GLU 81 -2.083 -4.214 4.862 591 HA GLU 81 HA GLU 81 -3.596 -3.763 7.302 592 1HB GLU 81 HB2 GLU 81 -1.272 -4.927 7.147 593 2HB GLU 81 HB1 GLU 81 -0.639 -3.297 6.965 594 1HG GLU 81 HG1 GLU 81 -0.516 -4.081 9.273 595 2HG GLU 81 HG2 GLU 81 -1.553 -2.664 9.110 596 H VAL 82 HN VAL 82 -4.724 -2.110 6.064 597 HA VAL 82 HA VAL 82 -3.339 0.257 5.267 598 HB VAL 82 HB VAL 82 -6.304 -0.313 5.479 599 1HG1 VAL 82 HG21 VAL 82 -6.705 1.735 4.630 600 2HG1 VAL 82 HG22 VAL 82 -5.390 1.596 3.463 601 3HG1 VAL 82 HG23 VAL 82 -5.053 2.127 5.110 602 1HG2 VAL 82 HG11 VAL 82 -4.264 -0.873 3.385 603 2HG2 VAL 82 HG12 VAL 82 -5.916 -0.483 2.902 604 3HG2 VAL 82 HG13 VAL 82 -5.607 -1.869 3.954 605 H THR 83 HN THR 83 -2.694 -0.060 7.831 606 HA THR 83 HA THR 83 -4.112 2.141 9.145 607 HB THR 83 HB THR 83 -3.060 -0.174 10.746 608 HG1 THR 83 HG1 THR 83 -4.793 -1.314 10.367 609 1HG2 THR 83 HG21 THR 83 -3.760 2.046 11.782 610 2HG2 THR 83 HG22 THR 83 -4.436 0.565 12.463 611 3HG2 THR 83 HG23 THR 83 -5.408 1.564 11.380 612 H ASP 84 HN ASP 84 -1.348 1.376 7.730 613 HA ASP 84 HA ASP 84 0.486 2.086 9.861 614 1HB ASP 84 HB2 ASP 84 0.876 1.421 6.947 615 2HB ASP 84 HB1 ASP 84 2.195 1.928 7.997 616 H VAL 85 HN VAL 85 1.792 3.930 9.867 617 HA VAL 85 HA VAL 85 1.152 6.089 8.014 618 HB VAL 85 HB VAL 85 -0.433 6.155 10.006 619 1HG1 VAL 85 HG11 VAL 85 1.150 5.564 11.748 620 2HG1 VAL 85 HG12 VAL 85 0.457 7.155 12.066 621 3HG1 VAL 85 HG13 VAL 85 2.090 7.018 11.414 622 1HG2 VAL 85 HG21 VAL 85 1.315 8.574 9.570 623 2HG2 VAL 85 HG22 VAL 85 -0.351 8.565 10.149 624 3HG2 VAL 85 HG23 VAL 85 0.012 8.061 8.498 625 H ARG 86 HN ARG 86 2.626 7.856 8.086 626 HA ARG 86 HA ARG 86 5.008 7.629 9.725 627 1HB ARG 86 HB1 ARG 86 5.016 7.239 6.743 628 2HB ARG 86 HB2 ARG 86 6.422 7.895 7.569 629 1HG ARG 86 HG2 ARG 86 5.809 5.672 9.062 630 2HG ARG 86 HG1 ARG 86 5.453 5.167 7.410 631 1HD ARG 86 HD2 ARG 86 7.745 6.198 6.838 632 2HD ARG 86 HD1 ARG 86 8.042 6.125 8.574 633 HE ARG 86 HE ARG 86 7.175 3.656 7.316 634 1HH1 ARG 86 HH22 ARG 86 9.834 5.602 8.454 635 2HH1 ARG 86 HH21 ARG 86 10.932 4.267 8.563 636 1HH2 ARG 86 HH12 ARG 86 8.615 1.893 7.458 637 2HH2 ARG 86 HH11 ARG 86 10.238 2.159 7.997 638 H ARG 87 HN ARG 87 4.224 9.598 10.540 639 HA ARG 87 HA ARG 87 3.819 11.849 8.787 640 1HB ARG 87 HB1 ARG 87 3.746 11.458 11.765 641 2HB ARG 87 HB2 ARG 87 3.700 13.072 11.068 642 1HG ARG 87 HG1 ARG 87 1.795 11.468 9.706 643 2HG ARG 87 HG2 ARG 87 1.570 11.249 11.443 644 1HD ARG 87 HD2 ARG 87 2.027 14.015 10.895 645 2HD ARG 87 HD1 ARG 87 0.749 13.419 9.837 646 HE ARG 87 HE ARG 87 -0.586 13.017 11.701 647 1HH1 ARG 87 HH21 ARG 87 2.586 14.118 12.635 648 2HH1 ARG 87 HH22 ARG 87 2.127 14.457 14.271 649 1HH2 ARG 87 HH11 ARG 87 -1.198 13.459 13.851 650 2HH2 ARG 87 HH12 ARG 87 -0.025 14.082 14.962 651 H LEU 88 HN LEU 88 5.874 12.074 7.757 652 HA LEU 88 HA LEU 88 8.176 12.677 9.424 653 1HB LEU 88 HB1 LEU 88 8.609 13.404 6.692 654 2HB LEU 88 HB2 LEU 88 9.407 12.178 7.652 655 HG LEU 88 HG LEU 88 6.829 11.741 6.152 656 1HD1 LEU 88 HD11 LEU 88 9.046 10.278 5.120 657 2HD1 LEU 88 HD12 LEU 88 9.472 11.992 5.177 658 3HD1 LEU 88 HD13 LEU 88 8.028 11.465 4.305 659 1HD2 LEU 88 HD21 LEU 88 8.524 9.471 6.868 660 2HD2 LEU 88 HD22 LEU 88 6.778 9.681 7.020 661 3HD2 LEU 88 HD23 LEU 88 7.857 10.334 8.257 662 H MET 89 HN MET 89 7.842 14.575 10.483 663 HA MET 89 HA MET 89 6.891 16.894 8.992 664 1HB MET 89 HB2 MET 89 7.648 16.877 11.903 665 2HB MET 89 HB1 MET 89 6.537 17.953 11.068 666 1HG MET 89 HG1 MET 89 4.809 16.589 11.379 667 2HG MET 89 HG2 MET 89 5.737 15.163 10.916 668 1HE MET 89 HE1 MET 89 7.414 13.887 12.664 669 2HE MET 89 HE2 MET 89 7.636 14.440 14.325 670 3HE MET 89 HE3 MET 89 8.171 15.449 12.980 Start of MODEL 20 1 1H MET 1 HT1 MET 1 10.160 20.163 8.004 2 2H MET 1 HT2 MET 1 11.397 19.288 7.201 3 3H MET 1 HT3 MET 1 11.072 18.990 8.859 4 HA MET 1 HA MET 1 9.904 17.878 6.557 5 1HB MET 1 HB1 MET 1 9.105 16.272 8.243 6 2HB MET 1 HB2 MET 1 10.814 16.633 8.448 7 1HG MET 1 HG1 MET 1 9.257 18.438 10.026 8 2HG MET 1 HG2 MET 1 8.771 16.777 10.360 9 1HE MET 1 HE1 MET 1 11.822 15.056 11.717 10 2HE MET 1 HE2 MET 1 11.870 15.223 9.962 11 3HE MET 1 HE3 MET 1 10.337 14.918 10.777 12 H GLY 2 HN GLY 2 7.679 17.425 6.230 13 1HA GLY 2 HA2 GLY 2 5.568 18.537 7.723 14 2HA GLY 2 HA1 GLY 2 5.969 19.640 6.412 15 H ASP 3 HN ASP 3 6.702 16.486 5.597 16 HA ASP 3 HA ASP 3 4.438 16.374 3.767 17 1HB ASP 3 HB1 ASP 3 6.876 14.592 3.972 18 2HB ASP 3 HB2 ASP 3 5.668 14.535 2.693 19 H VAL 4 HN VAL 4 3.022 14.616 3.618 20 HA VAL 4 HA VAL 4 2.839 13.009 6.076 21 HB VAL 4 HB VAL 4 0.487 12.990 4.335 22 1HG1 VAL 4 HG21 VAL 4 -0.253 13.837 6.835 23 2HG1 VAL 4 HG22 VAL 4 1.203 12.894 7.160 24 3HG1 VAL 4 HG23 VAL 4 -0.155 12.157 6.307 25 1HG2 VAL 4 HG11 VAL 4 -0.093 15.331 5.475 26 2HG2 VAL 4 HG12 VAL 4 0.623 15.209 3.867 27 3HG2 VAL 4 HG13 VAL 4 1.644 15.554 5.264 28 H VAL 5 HN VAL 5 3.771 11.070 5.745 29 HA VAL 5 HA VAL 5 3.317 9.736 3.160 30 HB VAL 5 HB VAL 5 5.336 8.810 5.180 31 1HG1 VAL 5 HG11 VAL 5 4.614 8.203 2.421 32 2HG1 VAL 5 HG12 VAL 5 5.512 7.242 3.596 33 3HG1 VAL 5 HG13 VAL 5 6.342 8.476 2.648 34 1HG2 VAL 5 HG21 VAL 5 5.400 11.370 4.221 35 2HG2 VAL 5 HG22 VAL 5 6.386 10.505 3.042 36 3HG2 VAL 5 HG23 VAL 5 6.804 10.447 4.754 37 H ALA 6 HN ALA 6 1.708 8.295 3.180 38 HA ALA 6 HA ALA 6 1.020 6.906 5.666 39 1HB ALA 6 HB1 ALA 6 -1.003 7.495 4.866 40 2HB ALA 6 HB2 ALA 6 -0.822 6.040 3.886 41 3HB ALA 6 HB3 ALA 6 -0.426 7.617 3.203 42 H THR 7 HN THR 7 0.426 4.510 5.401 43 HA THR 7 HA THR 7 2.035 3.187 3.357 44 HB THR 7 HB THR 7 2.342 2.437 6.254 45 HG1 THR 7 HG1 THR 7 4.554 3.416 5.641 46 1HG2 THR 7 HG21 THR 7 2.931 0.622 4.844 47 2HG2 THR 7 HG22 THR 7 4.427 1.369 5.405 48 3HG2 THR 7 HG23 THR 7 3.849 1.680 3.767 49 H ILE 8 HN ILE 8 1.145 1.479 2.538 50 HA ILE 8 HA ILE 8 -1.096 0.153 3.930 51 HB ILE 8 HB ILE 8 -0.828 0.497 0.939 52 1HG1 ILE 8 HG12 ILE 8 -1.014 2.667 2.370 53 2HG1 ILE 8 HG11 ILE 8 -2.090 2.457 0.994 54 1HG2 ILE 8 HG21 ILE 8 -3.371 0.160 1.206 55 2HG2 ILE 8 HG22 ILE 8 -2.932 -0.527 2.773 56 3HG2 ILE 8 HG23 ILE 8 -2.282 -1.228 1.290 57 1HD1 ILE 8 HD11 ILE 8 -2.834 3.130 3.546 58 2HD1 ILE 8 HD12 ILE 8 -3.217 1.411 3.455 59 3HD1 ILE 8 HD13 ILE 8 -3.901 2.530 2.275 60 H LYS 9 HN LYS 9 -0.363 -1.836 4.538 61 HA LYS 9 HA LYS 9 1.595 -3.229 2.865 62 1HB LYS 9 HB1 LYS 9 0.767 -4.541 5.343 63 2HB LYS 9 HB2 LYS 9 2.374 -4.190 4.727 64 1HG LYS 9 HG2 LYS 9 1.016 -1.779 5.569 65 2HG LYS 9 HG1 LYS 9 1.092 -2.969 6.864 66 1HD LYS 9 HD2 LYS 9 3.502 -2.259 5.236 67 2HD LYS 9 HD1 LYS 9 3.021 -1.321 6.650 68 1HE LYS 9 HE2 LYS 9 3.303 -4.290 6.842 69 2HE LYS 9 HE1 LYS 9 4.732 -3.261 6.917 70 1HZ LYS 9 HZ1 LYS 9 3.237 -3.928 9.034 71 2HZ LYS 9 HZ2 LYS 9 2.550 -2.437 8.626 72 3HZ LYS 9 HZ3 LYS 9 4.205 -2.544 8.957 73 H VAL 10 HN VAL 10 0.406 -4.101 1.209 74 HA VAL 10 HA VAL 10 -1.925 -5.719 1.835 75 HB VAL 10 HB VAL 10 -2.671 -5.261 -0.215 76 1HG1 VAL 10 HG21 VAL 10 -0.924 -3.228 0.555 77 2HG1 VAL 10 HG22 VAL 10 -2.248 -3.118 -0.605 78 3HG1 VAL 10 HG23 VAL 10 -0.615 -3.481 -1.162 79 1HG2 VAL 10 HG11 VAL 10 -1.557 -5.678 -2.261 80 2HG2 VAL 10 HG12 VAL 10 -1.077 -6.961 -1.150 81 3HG2 VAL 10 HG13 VAL 10 0.029 -5.629 -1.487 82 H MET 11 HN MET 11 -2.115 -7.902 1.618 83 HA MET 11 HA MET 11 0.077 -9.415 0.446 84 1HB MET 11 HB2 MET 11 0.745 -10.565 2.316 85 2HB MET 11 HB1 MET 11 0.339 -9.016 3.037 86 1HG MET 11 HG1 MET 11 -1.420 -9.834 4.176 87 2HG MET 11 HG2 MET 11 -1.843 -10.992 2.918 88 1HE MET 11 HE1 MET 11 -0.156 -13.156 2.421 89 2HE MET 11 HE2 MET 11 -1.662 -13.432 3.299 90 3HE MET 11 HE3 MET 11 -0.167 -14.192 3.848 91 HA PRO 12 HA PRO 12 -3.501 -11.652 -1.014 92 1HB PRO 12 HB1 PRO 12 -1.566 -13.507 -2.199 93 2HB PRO 12 HB2 PRO 12 -2.707 -12.423 -2.997 94 1HG PRO 12 HG1 PRO 12 -0.046 -12.001 -3.051 95 2HG PRO 12 HG2 PRO 12 -1.216 -10.670 -3.039 96 1HD PRO 12 HD2 PRO 12 0.392 -11.797 -0.772 97 2HD PRO 12 HD1 PRO 12 0.067 -10.099 -1.185 98 H GLU 13 HN GLU 13 -4.622 -13.002 0.219 99 HA GLU 13 HA GLU 13 -3.579 -14.606 2.240 100 1HB GLU 13 HB1 GLU 13 -6.165 -14.041 1.126 101 2HB GLU 13 HB2 GLU 13 -6.022 -15.764 1.443 102 1HG GLU 13 HG2 GLU 13 -5.538 -15.378 3.743 103 2HG GLU 13 HG1 GLU 13 -5.403 -13.640 3.477 104 H SER 14 HN SER 14 -4.163 -15.308 -1.133 105 HA SER 14 HA SER 14 -3.838 -18.149 -0.827 106 1HB SER 14 HB2 SER 14 -4.509 -16.292 -2.986 107 2HB SER 14 HB1 SER 14 -3.452 -17.601 -3.514 108 HG SER 14 HG SER 14 -5.534 -18.385 -1.891 109 HA PRO 15 HA PRO 15 0.550 -18.433 -1.044 110 1HB PRO 15 HB2 PRO 15 0.885 -20.729 -2.474 111 2HB PRO 15 HB1 PRO 15 0.374 -20.705 -0.782 112 1HG PRO 15 HG2 PRO 15 -1.280 -20.995 -3.261 113 2HG PRO 15 HG1 PRO 15 -1.399 -21.879 -1.727 114 1HD PRO 15 HD2 PRO 15 -3.064 -19.847 -2.350 115 2HD PRO 15 HD1 PRO 15 -2.540 -20.162 -0.684 116 H ASP 16 HN ASP 16 -1.336 -17.795 -3.704 117 HA ASP 16 HA ASP 16 0.847 -17.763 -5.636 118 1HB ASP 16 HB2 ASP 16 -2.126 -17.414 -5.806 119 2HB ASP 16 HB1 ASP 16 -1.107 -16.756 -7.083 120 H VAL 17 HN VAL 17 1.264 -16.144 -3.480 121 HA VAL 17 HA VAL 17 0.369 -13.489 -3.748 122 HB VAL 17 HB VAL 17 2.870 -14.564 -2.429 123 1HG1 VAL 17 HG21 VAL 17 2.046 -11.849 -2.909 124 2HG1 VAL 17 HG22 VAL 17 3.518 -12.456 -2.150 125 3HG1 VAL 17 HG23 VAL 17 2.069 -12.190 -1.177 126 1HG2 VAL 17 HG11 VAL 17 1.006 -15.501 -1.352 127 2HG2 VAL 17 HG12 VAL 17 0.087 -13.998 -1.452 128 3HG2 VAL 17 HG13 VAL 17 1.464 -14.119 -0.356 129 H ASP 18 HN ASP 18 0.638 -13.258 -6.114 130 HA ASP 18 HA ASP 18 3.254 -13.072 -7.267 131 1HB ASP 18 HB1 ASP 18 0.499 -12.259 -8.178 132 2HB ASP 18 HB2 ASP 18 1.934 -11.826 -9.105 133 H LEU 19 HN LEU 19 4.522 -11.639 -6.161 134 HA LEU 19 HA LEU 19 3.620 -9.175 -5.125 135 1HB LEU 19 HB2 LEU 19 5.800 -8.792 -4.447 136 2HB LEU 19 HB1 LEU 19 5.711 -10.542 -4.498 137 HG LEU 19 HG LEU 19 6.641 -9.978 -7.005 138 1HD1 LEU 19 HD11 LEU 19 6.819 -7.571 -6.344 139 2HD1 LEU 19 HD12 LEU 19 8.335 -8.303 -6.872 140 3HD1 LEU 19 HD13 LEU 19 8.029 -8.051 -5.153 141 1HD2 LEU 19 HD21 LEU 19 8.951 -10.321 -5.651 142 2HD2 LEU 19 HD22 LEU 19 7.834 -11.626 -6.048 143 3HD2 LEU 19 HD23 LEU 19 7.786 -10.880 -4.452 144 H GLU 20 HN GLU 20 5.352 -9.972 -8.127 145 HA GLU 20 HA GLU 20 5.608 -7.296 -8.987 146 1HB GLU 20 HB1 GLU 20 7.009 -9.040 -9.929 147 2HB GLU 20 HB2 GLU 20 5.599 -9.880 -10.559 148 1HG GLU 20 HG1 GLU 20 6.480 -8.810 -12.415 149 2HG GLU 20 HG2 GLU 20 5.168 -7.746 -11.907 150 H ALA 21 HN ALA 21 3.121 -9.731 -9.479 151 HA ALA 21 HA ALA 21 1.624 -8.151 -11.323 152 1HB ALA 21 HB1 ALA 21 0.384 -10.249 -9.587 153 2HB ALA 21 HB2 ALA 21 1.477 -10.699 -10.896 154 3HB ALA 21 HB3 ALA 21 -0.004 -9.808 -11.250 155 H LEU 22 HN LEU 22 1.661 -8.598 -7.860 156 HA LEU 22 HA LEU 22 -0.651 -7.021 -7.315 157 1HB LEU 22 HB2 LEU 22 1.115 -8.633 -5.854 158 2HB LEU 22 HB1 LEU 22 1.306 -7.027 -5.182 159 HG LEU 22 HG LEU 22 -1.247 -8.628 -5.373 160 1HD1 LEU 22 HD11 LEU 22 0.402 -9.212 -3.590 161 2HD1 LEU 22 HD12 LEU 22 -1.172 -8.684 -2.995 162 3HD1 LEU 22 HD13 LEU 22 0.203 -7.579 -2.954 163 1HD2 LEU 22 HD21 LEU 22 -0.893 -5.857 -4.246 164 2HD2 LEU 22 HD22 LEU 22 -2.387 -6.790 -4.341 165 3HD2 LEU 22 HD23 LEU 22 -1.609 -6.209 -5.822 166 H LYS 23 HN LYS 23 2.715 -6.428 -7.842 167 HA LYS 23 HA LYS 23 3.019 -3.903 -6.716 168 1HB LYS 23 HB2 LYS 23 4.461 -5.620 -8.518 169 2HB LYS 23 HB1 LYS 23 4.520 -3.968 -9.114 170 1HG LYS 23 HG1 LYS 23 5.043 -3.696 -6.419 171 2HG LYS 23 HG2 LYS 23 5.873 -5.189 -6.857 172 1HD LYS 23 HD1 LYS 23 6.391 -3.353 -8.924 173 2HD LYS 23 HD2 LYS 23 6.619 -2.479 -7.406 174 1HE LYS 23 HE2 LYS 23 7.794 -5.025 -7.080 175 2HE LYS 23 HE1 LYS 23 8.321 -4.413 -8.648 176 1HZ LYS 23 HZ1 LYS 23 9.799 -3.204 -7.547 177 2HZ LYS 23 HZ2 LYS 23 9.127 -3.606 -6.048 178 3HZ LYS 23 HZ3 LYS 23 8.528 -2.284 -6.917 179 H LYS 24 HN LYS 24 1.939 -4.844 -9.956 180 HA LYS 24 HA LYS 24 1.614 -2.163 -10.875 181 1HB LYS 24 HB2 LYS 24 0.493 -3.174 -12.787 182 2HB LYS 24 HB1 LYS 24 1.958 -4.050 -12.387 183 1HG LYS 24 HG1 LYS 24 0.837 -5.887 -11.584 184 2HG LYS 24 HG2 LYS 24 -0.666 -4.984 -11.352 185 1HD LYS 24 HD2 LYS 24 -1.300 -5.917 -13.290 186 2HD LYS 24 HD1 LYS 24 -0.257 -4.703 -14.035 187 1HE LYS 24 HE2 LYS 24 1.181 -7.075 -13.138 188 2HE LYS 24 HE1 LYS 24 -0.044 -7.422 -14.358 189 1HZ LYS 24 HZ1 LYS 24 1.253 -6.566 -15.917 190 2HZ LYS 24 HZ2 LYS 24 2.487 -6.394 -14.773 191 3HZ LYS 24 HZ3 LYS 24 1.427 -5.111 -15.071 192 H GLU 25 HN GLU 25 -0.482 -4.591 -9.454 193 HA GLU 25 HA GLU 25 -2.916 -3.160 -9.772 194 1HB GLU 25 HB1 GLU 25 -2.021 -5.433 -8.034 195 2HB GLU 25 HB2 GLU 25 -3.575 -4.668 -7.729 196 1HG GLU 25 HG2 GLU 25 -3.508 -5.141 -10.480 197 2HG GLU 25 HG1 GLU 25 -2.840 -6.591 -9.732 198 H ILE 26 HN ILE 26 -0.314 -3.021 -7.516 199 HA ILE 26 HA ILE 26 -1.573 -1.730 -5.366 200 HB ILE 26 HB ILE 26 1.184 -2.249 -6.232 201 1HG1 ILE 26 HG12 ILE 26 0.478 -2.027 -3.376 202 2HG1 ILE 26 HG11 ILE 26 -0.495 -3.172 -4.295 203 1HG2 ILE 26 HG21 ILE 26 2.022 -0.610 -4.424 204 2HG2 ILE 26 HG22 ILE 26 0.503 0.239 -4.713 205 3HG2 ILE 26 HG23 ILE 26 1.652 0.012 -6.033 206 1HD1 ILE 26 HD11 ILE 26 2.481 -3.178 -3.912 207 2HD1 ILE 26 HD12 ILE 26 1.651 -4.195 -5.091 208 3HD1 ILE 26 HD13 ILE 26 1.308 -4.379 -3.370 209 H GLN 27 HN GLN 27 0.148 -0.416 -8.193 210 HA GLN 27 HA GLN 27 -0.058 2.292 -7.429 211 1HB GLN 27 HB1 GLN 27 0.042 1.292 -10.272 212 2HB GLN 27 HB2 GLN 27 0.626 2.829 -9.646 213 1HG GLN 27 HG2 GLN 27 1.776 0.181 -8.820 214 2HG GLN 27 HG1 GLN 27 2.380 1.118 -10.178 215 1HE2 GLN 27 HE22 GLN 27 1.849 1.191 -6.717 216 2HE2 GLN 27 HE21 GLN 27 3.098 2.328 -6.370 217 H GLU 28 HN GLU 28 -2.246 0.111 -9.047 218 HA GLU 28 HA GLU 28 -4.051 2.140 -9.955 219 1HB GLU 28 HB1 GLU 28 -4.763 -0.752 -9.515 220 2HB GLU 28 HB2 GLU 28 -5.442 0.372 -10.684 221 1HG GLU 28 HG1 GLU 28 -2.580 -0.527 -10.773 222 2HG GLU 28 HG2 GLU 28 -3.882 -1.398 -11.581 223 H ARG 29 HN ARG 29 -3.582 0.396 -6.998 224 HA ARG 29 HA ARG 29 -6.224 1.046 -6.002 225 1HB ARG 29 HB2 ARG 29 -5.769 -0.342 -4.185 226 2HB ARG 29 HB1 ARG 29 -4.927 -1.118 -5.515 227 1HG ARG 29 HG1 ARG 29 -2.886 -0.724 -4.636 228 2HG ARG 29 HG2 ARG 29 -3.368 0.811 -3.910 229 1HD ARG 29 HD1 ARG 29 -4.834 -1.236 -2.621 230 2HD ARG 29 HD2 ARG 29 -3.157 -1.762 -2.687 231 HE ARG 29 HE ARG 29 -2.655 -0.133 -1.153 232 1HH1 ARG 29 HH12 ARG 29 -5.734 0.590 -2.613 233 2HH1 ARG 29 HH11 ARG 29 -6.072 1.917 -1.554 234 1HH2 ARG 29 HH22 ARG 29 -3.097 1.616 0.242 235 2HH2 ARG 29 HH21 ARG 29 -4.574 2.500 0.067 236 H ILE 30 HN ILE 30 -3.180 2.535 -6.110 237 HA ILE 30 HA ILE 30 -3.061 3.912 -3.681 238 HB ILE 30 HB ILE 30 -2.129 4.750 -6.426 239 1HG1 ILE 30 HG12 ILE 30 -0.947 2.821 -5.602 240 2HG1 ILE 30 HG11 ILE 30 0.116 4.213 -5.463 241 1HG2 ILE 30 HG21 ILE 30 -2.504 6.448 -4.261 242 2HG2 ILE 30 HG22 ILE 30 -1.510 6.752 -5.686 243 3HG2 ILE 30 HG23 ILE 30 -0.780 6.067 -4.233 244 1HD1 ILE 30 HD11 ILE 30 0.406 3.798 -3.318 245 2HD1 ILE 30 HD12 ILE 30 -0.628 2.377 -3.464 246 3HD1 ILE 30 HD13 ILE 30 -1.329 3.937 -3.032 247 HA PRO 31 HA PRO 31 -6.584 6.616 -3.565 248 1HB PRO 31 HB2 PRO 31 -5.124 8.840 -2.614 249 2HB PRO 31 HB1 PRO 31 -6.021 7.670 -1.649 250 1HG PRO 31 HG2 PRO 31 -3.114 7.791 -2.260 251 2HG PRO 31 HG1 PRO 31 -3.937 7.212 -0.800 252 1HD PRO 31 HD1 PRO 31 -2.873 5.494 -2.541 253 2HD PRO 31 HD2 PRO 31 -4.425 5.147 -1.748 254 H GLU 32 HN GLU 32 -7.415 7.516 -5.317 255 HA GLU 32 HA GLU 32 -5.985 8.433 -7.519 256 1HB GLU 32 HB1 GLU 32 -8.769 8.327 -6.683 257 2HB GLU 32 HB2 GLU 32 -8.430 9.745 -7.665 258 1HG GLU 32 HG2 GLU 32 -7.479 8.299 -9.403 259 2HG GLU 32 HG1 GLU 32 -7.871 6.887 -8.423 260 H GLY 33 HN GLY 33 -6.200 9.955 -4.571 261 1HA GLY 33 HA1 GLY 33 -6.360 12.670 -5.544 262 2HA GLY 33 HA2 GLY 33 -6.053 12.170 -3.889 263 H THR 34 HN THR 34 -3.800 10.538 -4.324 264 HA THR 34 HA THR 34 -1.845 12.433 -5.438 265 HB THR 34 HB THR 34 -0.854 10.919 -3.145 266 HG1 THR 34 HG1 THR 34 -2.422 11.337 -1.839 267 1HG2 THR 34 HG21 THR 34 -0.953 13.870 -3.704 268 2HG2 THR 34 HG22 THR 34 0.378 12.781 -4.098 269 3HG2 THR 34 HG23 THR 34 -0.045 13.085 -2.412 270 H GLU 35 HN GLU 35 0.300 10.598 -4.390 271 HA GLU 35 HA GLU 35 -0.078 8.271 -6.140 272 1HB GLU 35 HB2 GLU 35 1.934 8.628 -7.318 273 2HB GLU 35 HB1 GLU 35 1.118 10.185 -7.323 274 1HG GLU 35 HG2 GLU 35 2.542 10.796 -5.332 275 2HG GLU 35 HG1 GLU 35 3.473 9.336 -5.666 276 H LEU 36 HN LEU 36 1.996 6.870 -5.962 277 HA LEU 36 HA LEU 36 2.151 6.076 -3.226 278 1HB LEU 36 HB1 LEU 36 3.930 4.445 -4.243 279 2HB LEU 36 HB2 LEU 36 2.224 4.223 -4.560 280 HG LEU 36 HG LEU 36 3.880 3.952 -6.506 281 1HD1 LEU 36 HD21 LEU 36 1.223 4.684 -6.385 282 2HD1 LEU 36 HD22 LEU 36 2.088 4.092 -7.806 283 3HD1 LEU 36 HD23 LEU 36 1.928 5.829 -7.528 284 1HD2 LEU 36 HD11 LEU 36 4.924 5.711 -7.439 285 2HD2 LEU 36 HD12 LEU 36 4.801 6.374 -5.809 286 3HD2 LEU 36 HD13 LEU 36 3.625 6.836 -7.040 287 H HIS 37 HN HIS 37 4.546 5.267 -2.591 288 HA HIS 37 HA HIS 37 6.366 7.566 -2.822 289 1HB HIS 37 HB1 HIS 37 5.165 7.673 -0.672 290 2HB HIS 37 HB2 HIS 37 5.694 6.043 -0.297 291 HD2 HIS 37 HD2 HIS 37 8.208 5.783 0.718 292 HE1 HIS 37 HE1 HIS 37 9.157 9.907 0.589 293 HE2 HIS 37 HE2 HIS 37 9.902 7.625 1.411 294 H LYS 38 HN LYS 38 6.379 4.515 -1.069 295 HA LYS 38 HA LYS 38 8.334 3.281 -2.792 296 1HB LYS 38 HB1 LYS 38 9.068 4.455 -0.130 297 2HB LYS 38 HB2 LYS 38 9.856 2.982 -0.671 298 1HG LYS 38 HG1 LYS 38 9.823 5.579 -2.188 299 2HG LYS 38 HG2 LYS 38 11.151 5.006 -1.178 300 1HD LYS 38 HD2 LYS 38 10.847 2.861 -2.756 301 2HD LYS 38 HD1 LYS 38 10.284 4.115 -3.863 302 1HE LYS 38 HE2 LYS 38 12.687 4.939 -2.495 303 2HE LYS 38 HE1 LYS 38 12.926 3.401 -3.323 304 1HZ LYS 38 HZ1 LYS 38 12.747 6.002 -4.421 305 2HZ LYS 38 HZ2 LYS 38 11.542 5.017 -5.085 306 3HZ LYS 38 HZ3 LYS 38 13.165 4.551 -5.184 307 H ILE 39 HN ILE 39 7.901 1.171 -2.789 308 HA ILE 39 HA ILE 39 6.172 0.102 -0.713 309 HB ILE 39 HB ILE 39 7.102 -1.391 -3.144 310 1HG1 ILE 39 HG11 ILE 39 4.969 0.724 -2.874 311 2HG1 ILE 39 HG12 ILE 39 6.240 0.602 -4.085 312 1HG2 ILE 39 HG21 ILE 39 5.998 -2.755 -1.527 313 2HG2 ILE 39 HG22 ILE 39 4.857 -2.464 -2.839 314 3HG2 ILE 39 HG23 ILE 39 4.708 -1.571 -1.325 315 1HD1 ILE 39 HD11 ILE 39 3.577 -0.609 -4.010 316 2HD1 ILE 39 HD12 ILE 39 4.871 -1.673 -4.567 317 3HD1 ILE 39 HD13 ILE 39 4.580 -0.138 -5.384 318 H ASP 40 HN ASP 40 6.554 -2.052 0.180 319 HA ASP 40 HA ASP 40 9.418 -2.676 0.492 320 1HB ASP 40 HB1 ASP 40 7.856 -1.538 2.435 321 2HB ASP 40 HB2 ASP 40 7.692 -3.251 2.801 322 H GLU 41 HN GLU 41 9.906 -4.721 0.036 323 HA GLU 41 HA GLU 41 7.788 -6.670 -0.307 324 1HB GLU 41 HB2 GLU 41 9.797 -8.146 -0.969 325 2HB GLU 41 HB1 GLU 41 9.372 -6.803 -2.023 326 1HG GLU 41 HG2 GLU 41 11.193 -5.530 -1.343 327 2HG GLU 41 HG1 GLU 41 11.425 -6.486 0.121 328 H GLU 42 HN GLU 42 7.283 -6.567 2.044 329 HA GLU 42 HA GLU 42 9.164 -8.043 3.738 330 1HB GLU 42 HB1 GLU 42 7.193 -5.969 4.199 331 2HB GLU 42 HB2 GLU 42 6.929 -7.339 5.269 332 1HG GLU 42 HG2 GLU 42 9.578 -7.064 5.546 333 2HG GLU 42 HG1 GLU 42 9.141 -5.393 5.179 334 HA PRO 43 HA PRO 43 6.521 -11.576 3.249 335 1HB PRO 43 HB1 PRO 43 7.944 -13.307 4.762 336 2HB PRO 43 HB2 PRO 43 8.460 -12.780 3.159 337 1HG PRO 43 HG2 PRO 43 9.521 -12.053 5.813 338 2HG PRO 43 HG1 PRO 43 10.316 -12.007 4.233 339 1HD PRO 43 HD1 PRO 43 9.181 -9.826 5.680 340 2HD PRO 43 HD2 PRO 43 9.899 -9.793 4.062 341 H ILE 44 HN ILE 44 5.069 -12.870 4.380 342 HA ILE 44 HA ILE 44 4.556 -12.039 7.160 343 HB ILE 44 HB ILE 44 2.330 -12.884 5.360 344 1HG1 ILE 44 HG12 ILE 44 3.585 -11.163 4.103 345 2HG1 ILE 44 HG11 ILE 44 2.000 -10.584 4.604 346 1HG2 ILE 44 HG21 ILE 44 1.039 -12.192 7.036 347 2HG2 ILE 44 HG22 ILE 44 1.904 -10.662 7.177 348 3HG2 ILE 44 HG23 ILE 44 2.513 -12.098 8.000 349 1HD1 ILE 44 HD11 ILE 44 3.146 -8.773 5.258 350 2HD1 ILE 44 HD12 ILE 44 4.679 -9.644 5.333 351 3HD1 ILE 44 HD13 ILE 44 3.538 -9.748 6.675 352 H ALA 45 HN ALA 45 2.868 -14.419 5.171 353 HA ALA 45 HA ALA 45 2.870 -16.368 7.229 354 1HB ALA 45 HB1 ALA 45 1.141 -16.160 5.446 355 2HB ALA 45 HB2 ALA 45 1.760 -17.797 5.666 356 3HB ALA 45 HB3 ALA 45 2.311 -16.822 4.304 357 H PHE 46 HN PHE 46 3.396 -18.695 5.524 358 HA PHE 46 HA PHE 46 6.172 -19.000 6.102 359 1HB PHE 46 HB2 PHE 46 4.373 -20.793 4.454 360 2HB PHE 46 HB1 PHE 46 5.930 -21.235 5.147 361 HD1 PHE 46 HD1 PHE 46 2.489 -21.455 5.574 362 HD2 PHE 46 HD2 PHE 46 6.077 -20.830 7.775 363 HE1 PHE 46 HE1 PHE 46 1.359 -22.215 7.622 364 HE2 PHE 46 HE2 PHE 46 4.953 -21.589 9.829 365 HZ PHE 46 HZ PHE 46 2.592 -22.283 9.753 366 H GLY 47 HN GLY 47 4.327 -18.125 3.290 367 1HA GLY 47 HA1 GLY 47 6.809 -17.513 1.886 368 2HA GLY 47 HA2 GLY 47 5.738 -18.668 1.110 369 H LEU 48 HN LEU 48 3.886 -16.490 2.833 370 HA LEU 48 HA LEU 48 3.173 -15.094 0.374 371 1HB LEU 48 HB2 LEU 48 1.791 -14.827 3.032 372 2HB LEU 48 HB1 LEU 48 1.149 -14.481 1.439 373 HG LEU 48 HG LEU 48 1.521 -17.134 2.783 374 1HD1 LEU 48 HD11 LEU 48 -0.672 -15.438 1.943 375 2HD1 LEU 48 HD12 LEU 48 -0.667 -16.819 3.039 376 3HD1 LEU 48 HD13 LEU 48 -0.818 -17.074 1.300 377 1HD2 LEU 48 HD21 LEU 48 2.620 -17.375 0.622 378 2HD2 LEU 48 HD22 LEU 48 1.197 -16.715 -0.184 379 3HD2 LEU 48 HD23 LEU 48 1.096 -18.261 0.660 380 H VAL 49 HN VAL 49 4.568 -13.461 0.014 381 HA VAL 49 HA VAL 49 5.370 -11.723 2.202 382 HB VAL 49 HB VAL 49 6.210 -11.772 -0.698 383 1HG1 VAL 49 HG21 VAL 49 7.950 -10.339 1.131 384 2HG1 VAL 49 HG22 VAL 49 6.351 -9.605 1.015 385 3HG1 VAL 49 HG23 VAL 49 7.315 -9.853 -0.440 386 1HG2 VAL 49 HG11 VAL 49 8.374 -12.279 1.002 387 2HG2 VAL 49 HG12 VAL 49 7.553 -13.421 -0.061 388 3HG2 VAL 49 HG13 VAL 49 7.040 -13.253 1.618 389 H ALA 50 HN ALA 50 4.518 -9.804 2.612 390 HA ALA 50 HA ALA 50 2.523 -8.699 0.801 391 1HB ALA 50 HB1 ALA 50 2.078 -8.970 3.255 392 2HB ALA 50 HB2 ALA 50 1.810 -7.342 2.626 393 3HB ALA 50 HB3 ALA 50 3.273 -7.706 3.542 394 H LEU 51 HN LEU 51 2.475 -6.352 0.466 395 HA LEU 51 HA LEU 51 5.184 -5.214 0.248 396 1HB LEU 51 HB1 LEU 51 2.895 -5.282 -1.681 397 2HB LEU 51 HB2 LEU 51 3.978 -3.904 -1.704 398 HG LEU 51 HG LEU 51 5.885 -5.455 -2.081 399 1HD1 LEU 51 HD11 LEU 51 3.722 -7.537 -2.365 400 2HD1 LEU 51 HD12 LEU 51 4.910 -7.451 -1.065 401 3HD1 LEU 51 HD13 LEU 51 5.435 -7.763 -2.720 402 1HD2 LEU 51 HD21 LEU 51 5.584 -5.482 -4.339 403 2HD2 LEU 51 HD22 LEU 51 4.280 -4.382 -3.887 404 3HD2 LEU 51 HD23 LEU 51 3.928 -6.078 -4.226 405 H ASN 52 HN ASN 52 5.455 -3.470 1.452 406 HA ASN 52 HA ASN 52 3.135 -2.066 2.515 407 1HB ASN 52 HB1 ASN 52 5.995 -1.349 3.123 408 2HB ASN 52 HB2 ASN 52 4.569 -1.174 4.142 409 1HD2 ASN 52 HD22 ASN 52 3.591 -3.846 3.612 410 2HD2 ASN 52 HD21 ASN 52 4.617 -4.924 4.488 411 H VAL 53 HN VAL 53 2.383 -0.962 0.765 412 HA VAL 53 HA VAL 53 4.121 0.733 -0.782 413 HB VAL 53 HB VAL 53 1.116 0.607 -0.933 414 1HG1 VAL 53 HG21 VAL 53 1.307 1.590 -3.017 415 2HG1 VAL 53 HG22 VAL 53 2.991 1.097 -3.210 416 3HG1 VAL 53 HG23 VAL 53 2.577 2.409 -2.107 417 1HG2 VAL 53 HG11 VAL 53 1.162 -1.309 -2.145 418 2HG2 VAL 53 HG12 VAL 53 2.580 -1.608 -1.138 419 3HG2 VAL 53 HG13 VAL 53 2.777 -0.999 -2.781 420 H MET 54 HN MET 54 4.800 2.524 0.172 421 HA MET 54 HA MET 54 3.069 4.099 1.882 422 1HB MET 54 HB1 MET 54 5.933 4.416 0.968 423 2HB MET 54 HB2 MET 54 5.116 5.613 1.962 424 1HG MET 54 HG1 MET 54 5.185 4.321 3.821 425 2HG MET 54 HG2 MET 54 5.055 2.816 2.913 426 1HE MET 54 HE1 MET 54 7.331 1.159 3.241 427 2HE MET 54 HE2 MET 54 6.517 1.886 4.626 428 3HE MET 54 HE3 MET 54 8.278 1.893 4.535 429 H VAL 55 HN VAL 55 2.935 6.494 1.479 430 HA VAL 55 HA VAL 55 2.877 7.156 -1.371 431 HB VAL 55 HB VAL 55 0.647 7.891 -1.398 432 1HG1 VAL 55 HG11 VAL 55 -0.664 5.912 -0.694 433 2HG1 VAL 55 HG12 VAL 55 0.767 5.309 0.142 434 3HG1 VAL 55 HG13 VAL 55 0.786 5.503 -1.612 435 1HG2 VAL 55 HG21 VAL 55 0.424 7.387 1.561 436 2HG2 VAL 55 HG22 VAL 55 -0.797 8.096 0.503 437 3HG2 VAL 55 HG23 VAL 55 0.697 8.972 0.839 438 H VAL 56 HN VAL 56 3.445 9.221 -1.818 439 HA VAL 56 HA VAL 56 4.104 10.927 0.476 440 HB VAL 56 HB VAL 56 4.913 12.099 -2.013 441 1HG1 VAL 56 HG11 VAL 56 6.825 12.508 -0.865 442 2HG1 VAL 56 HG12 VAL 56 6.878 10.893 -0.158 443 3HG1 VAL 56 HG13 VAL 56 5.784 12.109 0.502 444 1HG2 VAL 56 HG21 VAL 56 5.265 10.239 -3.229 445 2HG2 VAL 56 HG22 VAL 56 5.281 9.187 -1.813 446 3HG2 VAL 56 HG23 VAL 56 6.720 10.112 -2.239 447 H VAL 57 HN VAL 57 2.608 12.350 1.056 448 HA VAL 57 HA VAL 57 1.183 13.805 -1.064 449 HB VAL 57 HB VAL 57 -0.893 13.727 0.050 450 1HG1 VAL 57 HG21 VAL 57 -0.053 10.927 0.589 451 2HG1 VAL 57 HG22 VAL 57 0.119 11.551 -1.051 452 3HG1 VAL 57 HG23 VAL 57 -1.464 11.539 -0.273 453 1HG2 VAL 57 HG11 VAL 57 0.696 13.340 2.392 454 2HG2 VAL 57 HG12 VAL 57 -0.526 12.071 2.301 455 3HG2 VAL 57 HG13 VAL 57 -1.010 13.767 2.265 456 H GLY 58 HN GLY 58 0.766 15.972 -0.669 457 1HA GLY 58 HA2 GLY 58 1.239 17.205 1.861 458 2HA GLY 58 HA1 GLY 58 2.603 17.432 0.778 459 H ASP 59 HN ASP 59 1.818 18.098 -1.541 460 HA ASP 59 HA ASP 59 0.365 20.567 -1.190 461 1HB ASP 59 HB2 ASP 59 0.963 21.016 -3.515 462 2HB ASP 59 HB1 ASP 59 2.378 20.461 -2.626 463 H ALA 60 HN ALA 60 -0.470 17.418 -1.778 464 HA ALA 60 HA ALA 60 -2.527 17.692 -3.707 465 1HB ALA 60 HB1 ALA 60 -1.319 15.573 -2.778 466 2HB ALA 60 HB2 ALA 60 -2.999 15.474 -3.307 467 3HB ALA 60 HB3 ALA 60 -2.621 15.594 -1.588 468 H GLU 61 HN GLU 61 -4.550 16.245 -2.045 469 HA GLU 61 HA GLU 61 -5.439 18.272 -0.161 470 1HB GLU 61 HB1 GLU 61 -7.778 17.895 -1.492 471 2HB GLU 61 HB2 GLU 61 -6.709 19.269 -1.738 472 1HG GLU 61 HG1 GLU 61 -5.697 18.199 -3.642 473 2HG GLU 61 HG2 GLU 61 -6.640 16.735 -3.359 474 H GLY 62 HN GLY 62 -8.090 17.351 0.072 475 1HA GLY 62 HA1 GLY 62 -7.619 14.928 1.583 476 2HA GLY 62 HA2 GLY 62 -9.131 15.825 1.487 477 H GLY 63 HN GLY 63 -7.772 15.254 -1.540 478 1HA GLY 63 HA2 GLY 63 -9.922 13.570 -2.348 479 2HA GLY 63 HA1 GLY 63 -8.531 14.016 -3.323 480 H THR 64 HN THR 64 -7.212 12.808 -0.604 481 HA THR 64 HA THR 64 -6.509 10.336 -1.862 482 HB THR 64 HB THR 64 -5.006 10.012 -0.103 483 HG1 THR 64 HG1 THR 64 -6.783 11.573 1.439 484 1HG2 THR 64 HG21 THR 64 -3.964 11.820 -0.929 485 2HG2 THR 64 HG22 THR 64 -4.390 12.495 0.644 486 3HG2 THR 64 HG23 THR 64 -5.386 12.853 -0.767 487 H GLU 65 HN GLU 65 -9.198 11.298 -0.230 488 HA GLU 65 HA GLU 65 -9.849 9.206 1.501 489 1HB GLU 65 HB2 GLU 65 -12.214 9.807 0.964 490 2HB GLU 65 HB1 GLU 65 -11.216 11.181 1.407 491 1HG GLU 65 HG2 GLU 65 -12.251 12.075 -0.389 492 2HG GLU 65 HG1 GLU 65 -10.894 11.313 -1.218 493 H ALA 66 HN ALA 66 -9.662 9.380 -1.910 494 HA ALA 66 HA ALA 66 -11.353 7.341 -2.737 495 1HB ALA 66 HB1 ALA 66 -8.702 8.160 -3.918 496 2HB ALA 66 HB2 ALA 66 -10.278 8.851 -4.302 497 3HB ALA 66 HB3 ALA 66 -9.923 7.178 -4.729 498 H ALA 67 HN ALA 67 -8.284 7.168 -1.127 499 HA ALA 67 HA ALA 67 -7.515 4.558 -1.795 500 1HB ALA 67 HB1 ALA 67 -5.905 5.873 -0.709 501 2HB ALA 67 HB2 ALA 67 -6.344 4.638 0.472 502 3HB ALA 67 HB3 ALA 67 -6.998 6.270 0.618 503 H GLU 68 HN GLU 68 -9.245 5.697 1.108 504 HA GLU 68 HA GLU 68 -9.906 3.165 2.108 505 1HB GLU 68 HB1 GLU 68 -11.348 5.806 2.421 506 2HB GLU 68 HB2 GLU 68 -11.682 4.369 3.378 507 1HG GLU 68 HG2 GLU 68 -9.025 4.601 3.765 508 2HG GLU 68 HG1 GLU 68 -9.470 6.294 3.560 509 H GLU 69 HN GLU 69 -11.407 5.191 -0.317 510 HA GLU 69 HA GLU 69 -13.899 3.895 -0.499 511 1HB GLU 69 HB1 GLU 69 -12.420 5.892 -1.977 512 2HB GLU 69 HB2 GLU 69 -13.214 4.775 -3.079 513 1HG GLU 69 HG1 GLU 69 -14.730 6.000 -0.816 514 2HG GLU 69 HG2 GLU 69 -14.457 6.900 -2.307 515 H SER 70 HN SER 70 -10.900 3.474 -2.348 516 HA SER 70 HA SER 70 -11.808 1.304 -3.910 517 1HB SER 70 HB1 SER 70 -9.659 2.883 -4.083 518 2HB SER 70 HB2 SER 70 -8.913 1.530 -3.234 519 HG SER 70 HG SER 70 -10.492 1.091 -5.524 520 H LEU 71 HN LEU 71 -10.781 1.569 -0.659 521 HA LEU 71 HA LEU 71 -9.870 -1.099 -0.285 522 1HB LEU 71 HB2 LEU 71 -10.213 1.275 1.288 523 2HB LEU 71 HB1 LEU 71 -10.848 -0.104 2.160 524 HG LEU 71 HG LEU 71 -8.507 0.364 2.739 525 1HD1 LEU 71 HD11 LEU 71 -9.020 -1.856 3.108 526 2HD1 LEU 71 HD12 LEU 71 -7.610 -1.967 2.053 527 3HD1 LEU 71 HD13 LEU 71 -9.228 -2.203 1.391 528 1HD2 LEU 71 HD21 LEU 71 -7.981 -0.213 -0.172 529 2HD2 LEU 71 HD22 LEU 71 -6.741 -0.077 1.074 530 3HD2 LEU 71 HD23 LEU 71 -7.735 1.321 0.663 531 H SER 72 HN SER 72 -12.970 0.453 -0.263 532 HA SER 72 HA SER 72 -14.442 -1.472 1.175 533 1HB SER 72 HB2 SER 72 -16.126 -0.031 0.800 534 2HB SER 72 HB1 SER 72 -14.971 0.961 -0.092 535 HG SER 72 HG SER 72 -16.413 0.601 -1.620 536 H GLY 73 HN GLY 73 -12.958 -1.590 -1.857 537 1HA GLY 73 HA2 GLY 73 -14.119 -4.211 -2.380 538 2HA GLY 73 HA1 GLY 73 -14.365 -2.994 -3.624 539 H ILE 74 HN ILE 74 -11.531 -3.064 -1.652 540 HA ILE 74 HA ILE 74 -9.796 -3.133 -3.906 541 HB ILE 74 HB ILE 74 -9.511 -2.034 -1.546 542 1HG1 ILE 74 HG11 ILE 74 -6.864 -2.831 -2.049 543 2HG1 ILE 74 HG12 ILE 74 -7.679 -2.858 -3.610 544 1HG2 ILE 74 HG21 ILE 74 -7.858 -4.447 -0.974 545 2HG2 ILE 74 HG22 ILE 74 -9.564 -4.428 -0.529 546 3HG2 ILE 74 HG23 ILE 74 -8.468 -3.212 0.126 547 1HD1 ILE 74 HD11 ILE 74 -6.531 -0.680 -2.618 548 2HD1 ILE 74 HD12 ILE 74 -8.133 -0.489 -1.907 549 3HD1 ILE 74 HD13 ILE 74 -7.954 -0.618 -3.657 550 H GLU 75 HN GLU 75 -7.655 -4.675 -3.043 551 HA GLU 75 HA GLU 75 -8.123 -7.172 -4.140 552 1HB GLU 75 HB1 GLU 75 -5.988 -7.791 -2.816 553 2HB GLU 75 HB2 GLU 75 -5.879 -6.480 -3.987 554 1HG GLU 75 HG1 GLU 75 -6.622 -5.480 -1.394 555 2HG GLU 75 HG2 GLU 75 -5.125 -6.408 -1.321 556 H GLY 76 HN GLY 76 -10.018 -8.061 -3.295 557 1HA GLY 76 HA1 GLY 76 -10.642 -8.400 -0.597 558 2HA GLY 76 HA2 GLY 76 -11.279 -9.379 -1.908 559 H VAL 77 HN VAL 77 -8.519 -10.249 -2.638 560 HA VAL 77 HA VAL 77 -8.382 -12.468 -0.770 561 HB VAL 77 HB VAL 77 -8.140 -12.596 -3.346 562 1HG1 VAL 77 HG11 VAL 77 -5.223 -12.310 -2.889 563 2HG1 VAL 77 HG12 VAL 77 -6.179 -10.844 -3.112 564 3HG1 VAL 77 HG13 VAL 77 -6.167 -12.089 -4.362 565 1HG2 VAL 77 HG21 VAL 77 -6.350 -14.024 -1.388 566 2HG2 VAL 77 HG22 VAL 77 -6.488 -14.500 -3.083 567 3HG2 VAL 77 HG23 VAL 77 -7.904 -14.557 -2.033 568 H SER 78 HN SER 78 -6.537 -9.685 -1.745 569 HA SER 78 HA SER 78 -4.386 -10.334 0.104 570 1HB SER 78 HB2 SER 78 -4.360 -7.769 -1.392 571 2HB SER 78 HB1 SER 78 -3.063 -8.936 -1.152 572 HG SER 78 HG SER 78 -5.232 -9.128 -2.968 573 H ASN 79 HN ASN 79 -5.412 -10.012 2.126 574 HA ASN 79 HA ASN 79 -6.719 -7.510 2.696 575 1HB ASN 79 HB2 ASN 79 -7.565 -9.148 4.093 576 2HB ASN 79 HB1 ASN 79 -5.994 -9.899 4.339 577 1HD2 ASN 79 HD21 ASN 79 -6.742 -6.416 4.737 578 2HD2 ASN 79 HD22 ASN 79 -6.435 -6.400 6.436 579 H ILE 80 HN ILE 80 -5.830 -5.727 3.294 580 HA ILE 80 HA ILE 80 -2.948 -5.667 3.599 581 HB ILE 80 HB ILE 80 -4.874 -3.382 3.272 582 1HG1 ILE 80 HG11 ILE 80 -3.520 -3.878 0.850 583 2HG1 ILE 80 HG12 ILE 80 -4.145 -5.431 1.394 584 1HG2 ILE 80 HG21 ILE 80 -2.282 -3.032 2.111 585 2HG2 ILE 80 HG22 ILE 80 -2.151 -3.451 3.818 586 3HG2 ILE 80 HG23 ILE 80 -3.116 -2.061 3.323 587 1HD1 ILE 80 HD11 ILE 80 -5.531 -3.558 -0.029 588 2HD1 ILE 80 HD12 ILE 80 -6.081 -3.276 1.623 589 3HD1 ILE 80 HD13 ILE 80 -6.240 -4.878 0.903 590 H GLU 81 HN GLU 81 -1.894 -4.532 5.192 591 HA GLU 81 HA GLU 81 -3.314 -4.191 7.712 592 1HB GLU 81 HB2 GLU 81 -1.042 -5.292 7.645 593 2HB GLU 81 HB1 GLU 81 -0.378 -3.754 7.111 594 1HG GLU 81 HG1 GLU 81 -0.132 -3.162 9.223 595 2HG GLU 81 HG2 GLU 81 -1.885 -3.211 9.419 596 H VAL 82 HN VAL 82 -4.577 -2.583 6.565 597 HA VAL 82 HA VAL 82 -3.330 -0.196 5.618 598 HB VAL 82 HB VAL 82 -6.252 -0.871 6.066 599 1HG1 VAL 82 HG21 VAL 82 -6.244 0.980 4.096 600 2HG1 VAL 82 HG22 VAL 82 -4.861 1.536 5.043 601 3HG1 VAL 82 HG23 VAL 82 -6.447 1.383 5.802 602 1HG2 VAL 82 HG11 VAL 82 -5.676 -2.356 4.449 603 2HG2 VAL 82 HG12 VAL 82 -4.352 -1.357 3.840 604 3HG2 VAL 82 HG13 VAL 82 -6.021 -0.946 3.443 605 H THR 83 HN THR 83 -2.439 -0.375 8.090 606 HA THR 83 HA THR 83 -3.831 1.792 9.478 607 HB THR 83 HB THR 83 -2.540 -0.426 11.041 608 HG1 THR 83 HG1 THR 83 -5.233 -0.310 10.160 609 1HG2 THR 83 HG21 THR 83 -3.066 0.923 12.711 610 2HG2 THR 83 HG22 THR 83 -4.749 0.503 12.392 611 3HG2 THR 83 HG23 THR 83 -4.050 1.954 11.673 612 H ASP 84 HN ASP 84 -1.168 1.076 7.840 613 HA ASP 84 HA ASP 84 0.795 1.959 9.793 614 1HB ASP 84 HB1 ASP 84 1.199 0.149 8.034 615 2HB ASP 84 HB2 ASP 84 1.296 1.462 6.867 616 H VAL 85 HN VAL 85 1.603 3.952 9.951 617 HA VAL 85 HA VAL 85 1.164 5.897 7.820 618 HB VAL 85 HB VAL 85 -0.086 6.011 10.532 619 1HG1 VAL 85 HG21 VAL 85 -0.408 8.516 10.092 620 2HG1 VAL 85 HG22 VAL 85 0.982 8.372 9.017 621 3HG1 VAL 85 HG23 VAL 85 1.149 7.988 10.730 622 1HG2 VAL 85 HG11 VAL 85 -1.660 7.387 8.798 623 2HG2 VAL 85 HG12 VAL 85 -1.793 5.659 9.131 624 3HG2 VAL 85 HG13 VAL 85 -0.886 6.219 7.727 625 H ARG 86 HN ARG 86 2.576 7.639 7.851 626 HA ARG 86 HA ARG 86 4.485 7.871 10.012 627 1HB ARG 86 HB1 ARG 86 5.976 6.614 8.910 628 2HB ARG 86 HB2 ARG 86 5.055 6.681 7.422 629 1HG ARG 86 HG1 ARG 86 6.348 8.258 6.550 630 2HG ARG 86 HG2 ARG 86 6.406 9.169 8.058 631 1HD ARG 86 HD1 ARG 86 8.050 7.500 8.918 632 2HD ARG 86 HD2 ARG 86 8.061 6.763 7.316 633 HE ARG 86 HE ARG 86 9.201 9.345 8.058 634 1HH1 ARG 86 HH12 ARG 86 8.485 7.001 5.580 635 2HH1 ARG 86 HH11 ARG 86 9.602 7.675 4.441 636 1HH2 ARG 86 HH21 ARG 86 10.673 10.238 6.565 637 2HH2 ARG 86 HH22 ARG 86 10.845 9.514 5.000 638 H ARG 87 HN ARG 87 3.318 9.792 10.372 639 HA ARG 87 HA ARG 87 3.118 11.813 8.322 640 1HB ARG 87 HB1 ARG 87 2.505 11.941 11.281 641 2HB ARG 87 HB2 ARG 87 2.084 13.172 10.098 642 1HG ARG 87 HG2 ARG 87 1.052 10.752 9.119 643 2HG ARG 87 HG1 ARG 87 0.657 10.812 10.839 644 1HD ARG 87 HD2 ARG 87 0.183 13.389 9.849 645 2HD ARG 87 HD1 ARG 87 -0.482 12.283 8.648 646 HE ARG 87 HE ARG 87 -1.234 11.619 11.335 647 1HH1 ARG 87 HH11 ARG 87 -1.996 13.620 8.584 648 2HH1 ARG 87 HH12 ARG 87 -3.660 13.815 9.025 649 1HH2 ARG 87 HH21 ARG 87 -3.422 11.871 11.922 650 2HH2 ARG 87 HH22 ARG 87 -4.469 12.822 10.922 651 H LEU 88 HN LEU 88 4.940 12.883 7.741 652 HA LEU 88 HA LEU 88 6.960 13.505 9.749 653 1HB LEU 88 HB1 LEU 88 7.385 14.765 7.177 654 2HB LEU 88 HB2 LEU 88 8.423 13.688 8.085 655 HG LEU 88 HG LEU 88 6.158 12.754 6.325 656 1HD1 LEU 88 HD11 LEU 88 8.829 12.155 5.405 657 2HD1 LEU 88 HD12 LEU 88 8.559 13.896 5.520 658 3HD1 LEU 88 HD13 LEU 88 7.480 12.897 4.543 659 1HD2 LEU 88 HD21 LEU 88 8.352 10.936 6.873 660 2HD2 LEU 88 HD22 LEU 88 6.609 10.686 7.007 661 3HD2 LEU 88 HD23 LEU 88 7.499 11.433 8.336 662 H MET 89 HN MET 89 5.808 14.943 11.055 663 HA MET 89 HA MET 89 4.831 17.413 9.862 664 1HB MET 89 HB2 MET 89 4.384 15.958 12.371 665 2HB MET 89 HB1 MET 89 4.491 17.703 12.563 666 1HG MET 89 HG1 MET 89 2.292 17.608 12.139 667 2HG MET 89 HG2 MET 89 2.835 17.585 10.462 668 1HE MET 89 HE1 MET 89 1.451 14.615 13.303 669 2HE MET 89 HE2 MET 89 3.104 15.229 13.263 670 3HE MET 89 HE3 MET 89 2.728 13.660 12.549 Start of MODEL 21 1 1H MET 1 HT1 MET 1 9.726 14.304 7.116 2 2H MET 1 HT2 MET 1 11.064 13.586 6.314 3 3H MET 1 HT3 MET 1 9.760 14.230 5.402 4 HA MET 1 HA MET 1 11.819 15.629 6.938 5 1HB MET 1 HB1 MET 1 11.773 14.882 4.377 6 2HB MET 1 HB2 MET 1 10.844 16.366 4.220 7 1HG MET 1 HG1 MET 1 12.627 17.696 4.942 8 2HG MET 1 HG2 MET 1 13.501 16.314 5.602 9 1HE MET 1 HE1 MET 1 13.151 17.421 1.146 10 2HE MET 1 HE2 MET 1 12.727 18.483 2.489 11 3HE MET 1 HE3 MET 1 11.740 17.063 2.142 12 H GLY 2 HN GLY 2 8.566 15.799 5.656 13 1HA GLY 2 HA2 GLY 2 7.663 17.731 7.477 14 2HA GLY 2 HA1 GLY 2 8.079 18.550 5.976 15 H ASP 3 HN ASP 3 7.323 15.634 4.948 16 HA ASP 3 HA ASP 3 4.573 16.389 4.294 17 1HB ASP 3 HB1 ASP 3 6.642 14.674 3.002 18 2HB ASP 3 HB2 ASP 3 4.950 14.267 2.733 19 H VAL 4 HN VAL 4 3.038 14.482 4.041 20 HA VAL 4 HA VAL 4 3.270 12.760 6.415 21 HB VAL 4 HB VAL 4 1.031 14.199 5.201 22 1HG1 VAL 4 HG11 VAL 4 -0.112 12.388 4.545 23 2HG1 VAL 4 HG12 VAL 4 -0.467 12.237 6.267 24 3HG1 VAL 4 HG13 VAL 4 0.835 11.288 5.550 25 1HG2 VAL 4 HG21 VAL 4 1.046 14.866 7.319 26 2HG2 VAL 4 HG22 VAL 4 2.096 13.533 7.798 27 3HG2 VAL 4 HG23 VAL 4 0.348 13.301 7.737 28 H VAL 5 HN VAL 5 3.865 10.726 5.988 29 HA VAL 5 HA VAL 5 3.291 9.649 3.305 30 HB VAL 5 HB VAL 5 5.272 8.483 5.253 31 1HG1 VAL 5 HG11 VAL 5 4.292 7.430 2.990 32 2HG1 VAL 5 HG12 VAL 5 5.937 7.143 3.556 33 3HG1 VAL 5 HG13 VAL 5 5.629 8.365 2.323 34 1HG2 VAL 5 HG21 VAL 5 6.819 10.031 4.809 35 2HG2 VAL 5 HG22 VAL 5 5.480 11.036 4.254 36 3HG2 VAL 5 HG23 VAL 5 6.403 10.079 3.096 37 H ALA 6 HN ALA 6 1.653 8.243 3.175 38 HA ALA 6 HA ALA 6 0.811 6.776 5.564 39 1HB ALA 6 HB1 ALA 6 -0.678 8.012 3.687 40 2HB ALA 6 HB2 ALA 6 -1.256 6.663 4.663 41 3HB ALA 6 HB3 ALA 6 -0.648 6.374 3.034 42 H THR 7 HN THR 7 0.298 4.407 5.294 43 HA THR 7 HA THR 7 1.903 3.116 3.228 44 HB THR 7 HB THR 7 2.262 2.392 6.129 45 HG1 THR 7 HG1 THR 7 3.099 4.516 5.482 46 1HG2 THR 7 HG21 THR 7 4.352 1.333 5.232 47 2HG2 THR 7 HG22 THR 7 3.678 1.562 3.617 48 3HG2 THR 7 HG23 THR 7 2.840 0.541 4.789 49 H ILE 8 HN ILE 8 1.038 1.402 2.414 50 HA ILE 8 HA ILE 8 -1.212 0.077 3.792 51 HB ILE 8 HB ILE 8 -0.858 0.142 0.801 52 1HG1 ILE 8 HG12 ILE 8 -0.898 2.494 1.883 53 2HG1 ILE 8 HG11 ILE 8 -2.031 2.163 0.578 54 1HG2 ILE 8 HG21 ILE 8 -2.915 -0.671 2.724 55 2HG2 ILE 8 HG22 ILE 8 -2.501 -1.323 1.135 56 3HG2 ILE 8 HG23 ILE 8 -3.490 0.134 1.259 57 1HD1 ILE 8 HD11 ILE 8 -2.682 3.290 2.955 58 2HD1 ILE 8 HD12 ILE 8 -3.080 1.597 3.248 59 3HD1 ILE 8 HD13 ILE 8 -3.814 2.453 1.893 60 H LYS 9 HN LYS 9 -0.414 -1.841 4.560 61 HA LYS 9 HA LYS 9 1.596 -3.292 3.004 62 1HB LYS 9 HB1 LYS 9 0.678 -4.487 5.520 63 2HB LYS 9 HB2 LYS 9 2.305 -4.210 4.919 64 1HG LYS 9 HG2 LYS 9 0.933 -1.746 5.638 65 2HG LYS 9 HG1 LYS 9 1.085 -2.870 6.984 66 1HD LYS 9 HD2 LYS 9 3.412 -2.175 5.231 67 2HD LYS 9 HD1 LYS 9 2.962 -1.191 6.624 68 1HE LYS 9 HE2 LYS 9 3.668 -4.122 6.674 69 2HE LYS 9 HE1 LYS 9 4.698 -2.798 7.215 70 1HZ LYS 9 HZ1 LYS 9 2.998 -2.256 8.884 71 2HZ LYS 9 HZ2 LYS 9 3.629 -3.812 9.093 72 3HZ LYS 9 HZ3 LYS 9 2.099 -3.606 8.401 73 H VAL 10 HN VAL 10 0.420 -4.173 1.336 74 HA VAL 10 HA VAL 10 -1.908 -5.798 1.935 75 HB VAL 10 HB VAL 10 -2.574 -5.489 -0.188 76 1HG1 VAL 10 HG21 VAL 10 -0.894 -3.335 0.629 77 2HG1 VAL 10 HG22 VAL 10 -2.357 -3.291 -0.354 78 3HG1 VAL 10 HG23 VAL 10 -0.785 -3.516 -1.120 79 1HG2 VAL 10 HG11 VAL 10 -1.305 -6.878 -1.469 80 2HG2 VAL 10 HG12 VAL 10 0.220 -6.192 -0.904 81 3HG2 VAL 10 HG13 VAL 10 -0.750 -5.325 -2.094 82 H MET 11 HN MET 11 -2.082 -7.984 1.774 83 HA MET 11 HA MET 11 0.132 -9.519 0.676 84 1HB MET 11 HB2 MET 11 1.017 -10.123 2.624 85 2HB MET 11 HB1 MET 11 -0.139 -9.105 3.467 86 1HG MET 11 HG1 MET 11 -0.944 -10.920 4.427 87 2HG MET 11 HG2 MET 11 -1.525 -11.452 2.854 88 1HE MET 11 HE1 MET 11 -1.653 -13.548 3.775 89 2HE MET 11 HE2 MET 11 -0.455 -14.210 4.892 90 3HE MET 11 HE3 MET 11 -0.464 -14.719 3.202 91 HA PRO 12 HA PRO 12 -3.507 -11.694 -0.795 92 1HB PRO 12 HB1 PRO 12 -1.554 -13.469 -2.085 93 2HB PRO 12 HB2 PRO 12 -2.772 -12.420 -2.819 94 1HG PRO 12 HG1 PRO 12 -0.142 -11.881 -2.975 95 2HG PRO 12 HG2 PRO 12 -1.365 -10.600 -2.872 96 1HD PRO 12 HD2 PRO 12 0.401 -11.709 -0.717 97 2HD PRO 12 HD1 PRO 12 -0.029 -10.019 -1.062 98 H GLU 13 HN GLU 13 -4.551 -13.065 0.476 99 HA GLU 13 HA GLU 13 -3.399 -14.730 2.385 100 1HB GLU 13 HB1 GLU 13 -6.072 -14.245 1.318 101 2HB GLU 13 HB2 GLU 13 -5.842 -15.907 1.845 102 1HG GLU 13 HG2 GLU 13 -5.126 -15.113 4.040 103 2HG GLU 13 HG1 GLU 13 -5.364 -13.447 3.512 104 H SER 14 HN SER 14 -4.102 -15.308 -0.979 105 HA SER 14 HA SER 14 -3.830 -18.166 -0.795 106 1HB SER 14 HB2 SER 14 -4.750 -16.316 -2.741 107 2HB SER 14 HB1 SER 14 -3.424 -17.220 -3.472 108 HG SER 14 HG SER 14 -5.397 -18.603 -2.038 109 HA PRO 15 HA PRO 15 0.554 -18.521 -1.089 110 1HB PRO 15 HB2 PRO 15 0.815 -20.779 -2.595 111 2HB PRO 15 HB1 PRO 15 0.338 -20.796 -0.893 112 1HG PRO 15 HG2 PRO 15 -1.374 -20.978 -3.346 113 2HG PRO 15 HG1 PRO 15 -1.475 -21.908 -1.839 114 1HD PRO 15 HD2 PRO 15 -3.115 -19.829 -2.356 115 2HD PRO 15 HD1 PRO 15 -2.557 -20.205 -0.713 116 H ASP 16 HN ASP 16 -1.388 -17.802 -3.699 117 HA ASP 16 HA ASP 16 0.761 -17.730 -5.667 118 1HB ASP 16 HB2 ASP 16 -1.750 -18.415 -6.077 119 2HB ASP 16 HB1 ASP 16 -1.990 -16.674 -6.198 120 H VAL 17 HN VAL 17 1.170 -16.107 -3.470 121 HA VAL 17 HA VAL 17 0.279 -13.451 -3.761 122 HB VAL 17 HB VAL 17 2.813 -14.469 -2.461 123 1HG1 VAL 17 HG21 VAL 17 1.647 -11.763 -2.705 124 2HG1 VAL 17 HG22 VAL 17 3.323 -12.264 -2.481 125 3HG1 VAL 17 HG23 VAL 17 2.224 -12.224 -1.101 126 1HG2 VAL 17 HG11 VAL 17 1.267 -13.909 -0.396 127 2HG2 VAL 17 HG12 VAL 17 1.199 -15.475 -1.205 128 3HG2 VAL 17 HG13 VAL 17 -0.009 -14.240 -1.567 129 H ASP 18 HN ASP 18 0.542 -13.157 -6.106 130 HA ASP 18 HA ASP 18 3.133 -13.079 -7.307 131 1HB ASP 18 HB2 ASP 18 1.795 -11.536 -8.975 132 2HB ASP 18 HB1 ASP 18 1.517 -13.274 -8.935 133 H LEU 19 HN LEU 19 4.574 -11.807 -6.330 134 HA LEU 19 HA LEU 19 4.013 -9.405 -5.011 135 1HB LEU 19 HB2 LEU 19 6.020 -10.224 -4.324 136 2HB LEU 19 HB1 LEU 19 6.431 -10.850 -5.908 137 HG LEU 19 HG LEU 19 6.854 -8.410 -6.576 138 1HD1 LEU 19 HD11 LEU 19 7.684 -7.392 -4.152 139 2HD1 LEU 19 HD12 LEU 19 6.111 -8.102 -3.790 140 3HD1 LEU 19 HD13 LEU 19 6.260 -6.892 -5.065 141 1HD2 LEU 19 HD21 LEU 19 8.630 -10.050 -6.259 142 2HD2 LEU 19 HD22 LEU 19 8.633 -9.722 -4.526 143 3HD2 LEU 19 HD23 LEU 19 9.116 -8.464 -5.662 144 H GLU 20 HN GLU 20 5.451 -9.921 -8.240 145 HA GLU 20 HA GLU 20 5.558 -7.146 -8.808 146 1HB GLU 20 HB2 GLU 20 6.166 -7.792 -11.065 147 2HB GLU 20 HB1 GLU 20 7.033 -8.780 -9.900 148 1HG GLU 20 HG1 GLU 20 5.669 -10.659 -10.341 149 2HG GLU 20 HG2 GLU 20 4.496 -9.681 -11.229 150 H ALA 21 HN ALA 21 3.148 -9.639 -9.422 151 HA ALA 21 HA ALA 21 1.586 -8.047 -11.210 152 1HB ALA 21 HB1 ALA 21 1.423 -10.553 -10.974 153 2HB ALA 21 HB2 ALA 21 -0.113 -9.685 -10.998 154 3HB ALA 21 HB3 ALA 21 0.548 -10.267 -9.470 155 H LEU 22 HN LEU 22 1.804 -8.511 -7.775 156 HA LEU 22 HA LEU 22 -0.494 -7.020 -7.024 157 1HB LEU 22 HB2 LEU 22 1.157 -8.621 -5.666 158 2HB LEU 22 HB1 LEU 22 1.945 -7.102 -5.301 159 HG LEU 22 HG LEU 22 0.340 -6.463 -3.847 160 1HD1 LEU 22 HD21 LEU 22 -1.392 -6.188 -5.553 161 2HD1 LEU 22 HD22 LEU 22 -2.051 -6.891 -4.068 162 3HD1 LEU 22 HD23 LEU 22 -1.742 -7.916 -5.471 163 1HD2 LEU 22 HD11 LEU 22 0.088 -9.428 -4.037 164 2HD2 LEU 22 HD12 LEU 22 -0.879 -8.515 -2.876 165 3HD2 LEU 22 HD13 LEU 22 0.883 -8.445 -2.807 166 H LYS 23 HN LYS 23 2.812 -6.281 -7.802 167 HA LYS 23 HA LYS 23 3.041 -3.658 -6.890 168 1HB LYS 23 HB2 LYS 23 4.407 -5.397 -8.797 169 2HB LYS 23 HB1 LYS 23 4.411 -3.718 -9.317 170 1HG LYS 23 HG2 LYS 23 6.255 -3.573 -8.077 171 2HG LYS 23 HG1 LYS 23 5.137 -3.462 -6.715 172 1HD LYS 23 HD2 LYS 23 5.625 -5.545 -5.983 173 2HD LYS 23 HD1 LYS 23 5.834 -6.182 -7.614 174 1HE LYS 23 HE2 LYS 23 7.903 -6.044 -6.126 175 2HE LYS 23 HE1 LYS 23 8.032 -5.406 -7.764 176 1HZ LYS 23 HZ1 LYS 23 9.030 -3.917 -6.145 177 2HZ LYS 23 HZ2 LYS 23 7.562 -3.791 -5.317 178 3HZ LYS 23 HZ3 LYS 23 7.701 -3.182 -6.888 179 H LYS 24 HN LYS 24 1.903 -4.920 -9.998 180 HA LYS 24 HA LYS 24 1.335 -2.405 -11.145 181 1HB LYS 24 HB1 LYS 24 -0.142 -4.925 -11.856 182 2HB LYS 24 HB2 LYS 24 0.325 -3.594 -12.904 183 1HG LYS 24 HG1 LYS 24 2.747 -4.328 -12.319 184 2HG LYS 24 HG2 LYS 24 1.976 -5.848 -11.861 185 1HD LYS 24 HD1 LYS 24 1.234 -4.674 -14.481 186 2HD LYS 24 HD2 LYS 24 2.844 -5.380 -14.332 187 1HE LYS 24 HE1 LYS 24 2.051 -7.489 -14.147 188 2HE LYS 24 HE2 LYS 24 0.623 -6.985 -13.243 189 1HZ LYS 24 HZ1 LYS 24 1.019 -6.731 -16.175 190 2HZ LYS 24 HZ2 LYS 24 -0.331 -6.164 -15.328 191 3HZ LYS 24 HZ3 LYS 24 -0.009 -7.824 -15.395 192 H GLU 25 HN GLU 25 -0.673 -4.722 -9.341 193 HA GLU 25 HA GLU 25 -3.103 -3.287 -9.714 194 1HB GLU 25 HB1 GLU 25 -2.386 -5.188 -7.475 195 2HB GLU 25 HB2 GLU 25 -4.005 -4.721 -7.973 196 1HG GLU 25 HG2 GLU 25 -2.168 -6.024 -9.929 197 2HG GLU 25 HG1 GLU 25 -3.015 -6.996 -8.727 198 H ILE 26 HN ILE 26 -0.459 -3.046 -7.522 199 HA ILE 26 HA ILE 26 -1.646 -1.619 -5.431 200 HB ILE 26 HB ILE 26 1.101 -2.127 -6.382 201 1HG1 ILE 26 HG11 ILE 26 0.390 -1.923 -3.511 202 2HG1 ILE 26 HG12 ILE 26 -0.473 -3.144 -4.441 203 1HG2 ILE 26 HG21 ILE 26 1.934 -0.461 -4.590 204 2HG2 ILE 26 HG22 ILE 26 0.390 0.347 -4.860 205 3HG2 ILE 26 HG23 ILE 26 1.522 0.141 -6.198 206 1HD1 ILE 26 HD11 ILE 26 1.971 -3.453 -3.250 207 2HD1 ILE 26 HD12 ILE 26 2.387 -3.163 -4.938 208 3HD1 ILE 26 HD13 ILE 26 1.297 -4.482 -4.513 209 H GLN 27 HN GLN 27 -0.012 -0.471 -8.378 210 HA GLN 27 HA GLN 27 -0.190 2.275 -7.724 211 1HB GLN 27 HB1 GLN 27 -0.086 1.112 -10.505 212 2HB GLN 27 HB2 GLN 27 0.458 2.702 -9.986 213 1HG GLN 27 HG2 GLN 27 1.675 0.070 -9.171 214 2HG GLN 27 HG1 GLN 27 2.329 1.192 -10.358 215 1HE2 GLN 27 HE21 GLN 27 3.910 2.393 -9.652 216 2HE2 GLN 27 HE22 GLN 27 4.141 2.929 -8.025 217 H GLU 28 HN GLU 28 -2.382 0.033 -9.269 218 HA GLU 28 HA GLU 28 -4.205 2.047 -10.194 219 1HB GLU 28 HB1 GLU 28 -4.893 -0.846 -9.723 220 2HB GLU 28 HB2 GLU 28 -5.587 0.263 -10.897 221 1HG GLU 28 HG2 GLU 28 -3.618 0.212 -12.229 222 2HG GLU 28 HG1 GLU 28 -2.732 -0.669 -10.985 223 H ARG 29 HN ARG 29 -3.660 0.381 -7.227 224 HA ARG 29 HA ARG 29 -6.304 1.017 -6.191 225 1HB ARG 29 HB2 ARG 29 -5.840 -0.407 -4.415 226 2HB ARG 29 HB1 ARG 29 -5.025 -1.169 -5.770 227 1HG ARG 29 HG1 ARG 29 -2.898 -0.333 -5.025 228 2HG ARG 29 HG2 ARG 29 -3.671 0.578 -3.721 229 1HD ARG 29 HD2 ARG 29 -2.890 -1.386 -2.684 230 2HD ARG 29 HD1 ARG 29 -4.594 -1.692 -2.959 231 HE ARG 29 HE ARG 29 -2.339 -2.992 -4.235 232 1HH1 ARG 29 HH21 ARG 29 -5.781 -2.442 -4.253 233 2HH1 ARG 29 HH22 ARG 29 -6.128 -3.847 -5.202 234 1HH2 ARG 29 HH12 ARG 29 -2.791 -4.840 -5.480 235 2HH2 ARG 29 HH11 ARG 29 -4.432 -5.209 -5.899 236 H ILE 30 HN ILE 30 -3.237 2.430 -6.343 237 HA ILE 30 HA ILE 30 -3.042 3.733 -3.880 238 HB ILE 30 HB ILE 30 -2.019 4.420 -6.623 239 1HG1 ILE 30 HG11 ILE 30 -1.076 2.516 -5.250 240 2HG1 ILE 30 HG12 ILE 30 0.092 3.725 -5.766 241 1HG2 ILE 30 HG21 ILE 30 -1.472 6.499 -6.077 242 2HG2 ILE 30 HG22 ILE 30 -0.693 5.954 -4.592 243 3HG2 ILE 30 HG23 ILE 30 -2.419 6.323 -4.599 244 1HD1 ILE 30 HD11 ILE 30 -1.145 4.084 -3.103 245 2HD1 ILE 30 HD12 ILE 30 0.494 4.435 -3.652 246 3HD1 ILE 30 HD13 ILE 30 0.018 2.773 -3.297 247 HA PRO 31 HA PRO 31 -6.362 6.684 -3.765 248 1HB PRO 31 HB2 PRO 31 -4.887 8.809 -2.701 249 2HB PRO 31 HB1 PRO 31 -5.733 7.571 -1.774 250 1HG PRO 31 HG2 PRO 31 -2.849 7.743 -2.528 251 2HG PRO 31 HG1 PRO 31 -3.586 7.168 -1.020 252 1HD PRO 31 HD1 PRO 31 -2.635 5.441 -2.811 253 2HD PRO 31 HD2 PRO 31 -4.148 5.105 -1.943 254 H GLU 32 HN GLU 32 -7.010 7.463 -5.663 255 HA GLU 32 HA GLU 32 -5.407 8.568 -7.662 256 1HB GLU 32 HB1 GLU 32 -8.295 8.318 -7.132 257 2HB GLU 32 HB2 GLU 32 -7.850 9.631 -8.212 258 1HG GLU 32 HG2 GLU 32 -7.099 8.225 -9.843 259 2HG GLU 32 HG1 GLU 32 -6.684 6.946 -8.704 260 H GLY 33 HN GLY 33 -6.018 9.954 -4.728 261 1HA GLY 33 HA1 GLY 33 -6.443 12.665 -5.621 262 2HA GLY 33 HA2 GLY 33 -6.182 12.140 -3.966 263 H THR 34 HN THR 34 -3.693 10.779 -4.447 264 HA THR 34 HA THR 34 -1.955 13.021 -5.229 265 HB THR 34 HB THR 34 -0.994 11.318 -3.015 266 HG1 THR 34 HG1 THR 34 -2.369 13.043 -1.732 267 1HG2 THR 34 HG21 THR 34 0.421 13.087 -3.383 268 2HG2 THR 34 HG22 THR 34 -0.586 13.691 -2.067 269 3HG2 THR 34 HG23 THR 34 -0.896 14.210 -3.725 270 H GLU 35 HN GLU 35 0.288 11.185 -4.152 271 HA GLU 35 HA GLU 35 0.312 9.200 -6.314 272 1HB GLU 35 HB1 GLU 35 2.548 11.145 -5.702 273 2HB GLU 35 HB2 GLU 35 2.660 9.800 -6.830 274 1HG GLU 35 HG1 GLU 35 1.272 10.809 -8.378 275 2HG GLU 35 HG2 GLU 35 0.543 11.875 -7.178 276 H LEU 36 HN LEU 36 2.131 7.627 -6.046 277 HA LEU 36 HA LEU 36 2.089 6.621 -3.366 278 1HB LEU 36 HB1 LEU 36 3.762 4.928 -4.476 279 2HB LEU 36 HB2 LEU 36 2.050 4.878 -4.843 280 HG LEU 36 HG LEU 36 3.301 6.640 -6.705 281 1HD1 LEU 36 HD11 LEU 36 4.588 3.919 -6.611 282 2HD1 LEU 36 HD12 LEU 36 5.370 5.410 -6.084 283 3HD1 LEU 36 HD13 LEU 36 4.898 5.209 -7.772 284 1HD2 LEU 36 HD21 LEU 36 1.718 5.670 -7.913 285 2HD2 LEU 36 HD22 LEU 36 1.440 4.497 -6.625 286 3HD2 LEU 36 HD23 LEU 36 2.622 4.154 -7.890 287 H HIS 37 HN HIS 37 4.438 5.524 -2.802 288 HA HIS 37 HA HIS 37 6.426 7.688 -2.806 289 1HB HIS 37 HB1 HIS 37 5.220 7.673 -0.647 290 2HB HIS 37 HB2 HIS 37 5.671 5.993 -0.420 291 HD2 HIS 37 HD2 HIS 37 8.082 5.560 0.724 292 HE1 HIS 37 HE1 HIS 37 9.406 9.579 0.602 293 HE2 HIS 37 HE2 HIS 37 9.921 7.244 1.444 294 H LYS 38 HN LYS 38 6.330 4.538 -1.238 295 HA LYS 38 HA LYS 38 8.041 3.249 -3.123 296 1HB LYS 38 HB2 LYS 38 10.006 3.930 -2.311 297 2HB LYS 38 HB1 LYS 38 9.221 4.804 -1.011 298 1HG LYS 38 HG2 LYS 38 10.576 3.373 0.153 299 2HG LYS 38 HG1 LYS 38 9.067 2.459 0.108 300 1HD LYS 38 HD1 LYS 38 9.863 0.977 -1.488 301 2HD LYS 38 HD2 LYS 38 11.119 2.088 -2.037 302 1HE LYS 38 HE2 LYS 38 12.131 1.803 0.295 303 2HE LYS 38 HE1 LYS 38 11.052 0.418 0.457 304 1HZ LYS 38 HZ1 LYS 38 13.249 -0.232 -0.326 305 2HZ LYS 38 HZ2 LYS 38 13.085 0.769 -1.680 306 3HZ LYS 38 HZ3 LYS 38 12.069 -0.570 -1.489 307 H ILE 39 HN ILE 39 7.779 1.089 -2.966 308 HA ILE 39 HA ILE 39 6.071 0.123 -0.818 309 HB ILE 39 HB ILE 39 6.951 -1.482 -3.195 310 1HG1 ILE 39 HG11 ILE 39 4.843 0.662 -2.985 311 2HG1 ILE 39 HG12 ILE 39 6.079 0.460 -4.219 312 1HG2 ILE 39 HG21 ILE 39 5.854 -2.680 -1.375 313 2HG2 ILE 39 HG22 ILE 39 4.823 -2.632 -2.806 314 3HG2 ILE 39 HG23 ILE 39 4.494 -1.558 -1.445 315 1HD1 ILE 39 HD11 ILE 39 4.391 -0.339 -5.441 316 2HD1 ILE 39 HD12 ILE 39 3.401 -0.693 -4.023 317 3HD1 ILE 39 HD13 ILE 39 4.660 -1.825 -4.527 318 H ASP 40 HN ASP 40 6.460 -1.869 0.282 319 HA ASP 40 HA ASP 40 9.314 -2.544 0.552 320 1HB ASP 40 HB2 ASP 40 7.132 -2.382 2.635 321 2HB ASP 40 HB1 ASP 40 8.730 -3.040 2.944 322 H GLU 41 HN GLU 41 9.745 -4.570 -0.056 323 HA GLU 41 HA GLU 41 7.631 -6.534 -0.267 324 1HB GLU 41 HB2 GLU 41 9.662 -7.997 -0.980 325 2HB GLU 41 HB1 GLU 41 9.113 -6.711 -2.048 326 1HG GLU 41 HG2 GLU 41 10.913 -5.337 -1.523 327 2HG GLU 41 HG1 GLU 41 11.279 -6.231 -0.050 328 H GLU 42 HN GLU 42 7.209 -6.470 2.088 329 HA GLU 42 HA GLU 42 9.170 -7.908 3.722 330 1HB GLU 42 HB1 GLU 42 7.178 -5.882 4.241 331 2HB GLU 42 HB2 GLU 42 6.924 -7.272 5.287 332 1HG GLU 42 HG2 GLU 42 9.602 -6.948 5.499 333 2HG GLU 42 HG1 GLU 42 9.071 -5.278 5.274 334 HA PRO 43 HA PRO 43 6.621 -11.507 3.220 335 1HB PRO 43 HB1 PRO 43 8.140 -13.222 4.679 336 2HB PRO 43 HB2 PRO 43 8.564 -12.686 3.051 337 1HG PRO 43 HG2 PRO 43 9.756 -11.955 5.640 338 2HG PRO 43 HG1 PRO 43 10.448 -11.852 4.015 339 1HD PRO 43 HD1 PRO 43 9.330 -9.743 5.585 340 2HD PRO 43 HD2 PRO 43 9.968 -9.646 3.937 341 H ILE 44 HN ILE 44 5.244 -12.873 4.357 342 HA ILE 44 HA ILE 44 4.763 -12.104 7.162 343 HB ILE 44 HB ILE 44 2.531 -12.976 5.379 344 1HG1 ILE 44 HG12 ILE 44 3.724 -11.192 4.150 345 2HG1 ILE 44 HG11 ILE 44 2.132 -10.666 4.684 346 1HG2 ILE 44 HG21 ILE 44 1.189 -11.657 6.884 347 2HG2 ILE 44 HG22 ILE 44 2.633 -11.025 7.677 348 3HG2 ILE 44 HG23 ILE 44 2.222 -12.734 7.823 349 1HD1 ILE 44 HD11 ILE 44 3.740 -9.884 6.759 350 2HD1 ILE 44 HD12 ILE 44 3.195 -8.855 5.434 351 3HD1 ILE 44 HD13 ILE 44 4.775 -9.637 5.351 352 H ALA 45 HN ALA 45 3.091 -14.489 5.176 353 HA ALA 45 HA ALA 45 3.200 -16.475 7.196 354 1HB ALA 45 HB1 ALA 45 1.677 -17.525 5.941 355 2HB ALA 45 HB2 ALA 45 2.695 -17.469 4.502 356 3HB ALA 45 HB3 ALA 45 1.703 -16.077 4.934 357 H PHE 46 HN PHE 46 3.737 -18.762 5.470 358 HA PHE 46 HA PHE 46 6.540 -18.988 5.940 359 1HB PHE 46 HB2 PHE 46 4.404 -20.752 4.829 360 2HB PHE 46 HB1 PHE 46 6.081 -21.168 4.487 361 HD1 PHE 46 HD1 PHE 46 4.409 -19.812 7.538 362 HD2 PHE 46 HD2 PHE 46 6.679 -22.959 5.789 363 HE1 PHE 46 HE1 PHE 46 4.583 -20.902 9.735 364 HE2 PHE 46 HE2 PHE 46 6.858 -24.054 7.985 365 HZ PHE 46 HZ PHE 46 5.808 -23.026 9.962 366 H GLY 47 HN GLY 47 4.569 -18.126 3.217 367 1HA GLY 47 HA1 GLY 47 6.981 -17.472 1.710 368 2HA GLY 47 HA2 GLY 47 5.886 -18.627 0.970 369 H LEU 48 HN LEU 48 4.014 -16.546 2.743 370 HA LEU 48 HA LEU 48 3.276 -15.084 0.333 371 1HB LEU 48 HB2 LEU 48 1.855 -14.961 2.978 372 2HB LEU 48 HB1 LEU 48 1.217 -14.597 1.387 373 HG LEU 48 HG LEU 48 1.704 -17.274 2.652 374 1HD1 LEU 48 HD11 LEU 48 -0.636 -17.191 1.106 375 2HD1 LEU 48 HD12 LEU 48 -0.560 -15.653 1.965 376 3HD1 LEU 48 HD13 LEU 48 -0.501 -17.168 2.865 377 1HD2 LEU 48 HD21 LEU 48 1.274 -16.838 -0.298 378 2HD2 LEU 48 HD22 LEU 48 1.432 -18.382 0.538 379 3HD2 LEU 48 HD23 LEU 48 2.813 -17.289 0.435 380 H VAL 49 HN VAL 49 4.585 -13.388 0.029 381 HA VAL 49 HA VAL 49 5.383 -11.720 2.269 382 HB VAL 49 HB VAL 49 6.158 -11.664 -0.648 383 1HG1 VAL 49 HG21 VAL 49 7.270 -9.742 -0.379 384 2HG1 VAL 49 HG22 VAL 49 7.854 -10.198 1.221 385 3HG1 VAL 49 HG23 VAL 49 6.245 -9.502 1.036 386 1HG2 VAL 49 HG11 VAL 49 8.205 -12.158 1.371 387 2HG2 VAL 49 HG12 VAL 49 7.863 -13.015 -0.133 388 3HG2 VAL 49 HG13 VAL 49 6.944 -13.390 1.325 389 H ALA 50 HN ALA 50 4.597 -9.776 2.735 390 HA ALA 50 HA ALA 50 2.498 -8.650 1.041 391 1HB ALA 50 HB1 ALA 50 2.091 -8.963 3.478 392 2HB ALA 50 HB2 ALA 50 1.884 -7.300 2.926 393 3HB ALA 50 HB3 ALA 50 3.347 -7.769 3.794 394 H LEU 51 HN LEU 51 2.497 -6.423 0.475 395 HA LEU 51 HA LEU 51 5.185 -5.226 0.407 396 1HB LEU 51 HB2 LEU 51 3.232 -4.348 -1.620 397 2HB LEU 51 HB1 LEU 51 4.950 -4.663 -1.774 398 HG LEU 51 HG LEU 51 2.774 -6.753 -1.736 399 1HD1 LEU 51 HD21 LEU 51 2.550 -6.008 -3.853 400 2HD1 LEU 51 HD22 LEU 51 3.976 -7.012 -4.119 401 3HD1 LEU 51 HD23 LEU 51 4.153 -5.274 -3.878 402 1HD2 LEU 51 HD11 LEU 51 5.672 -6.921 -1.438 403 2HD2 LEU 51 HD12 LEU 51 5.010 -7.961 -2.700 404 3HD2 LEU 51 HD13 LEU 51 4.414 -8.094 -1.043 405 H ASN 52 HN ASN 52 5.386 -3.447 1.511 406 HA ASN 52 HA ASN 52 3.033 -2.043 2.480 407 1HB ASN 52 HB1 ASN 52 5.879 -1.293 3.123 408 2HB ASN 52 HB2 ASN 52 4.439 -1.121 4.120 409 1HD2 ASN 52 HD22 ASN 52 3.476 -3.793 3.640 410 2HD2 ASN 52 HD21 ASN 52 4.507 -4.860 4.524 411 H VAL 53 HN VAL 53 2.289 -0.943 0.740 412 HA VAL 53 HA VAL 53 4.021 0.719 -0.850 413 HB VAL 53 HB VAL 53 1.006 0.611 -0.928 414 1HG1 VAL 53 HG21 VAL 53 1.147 1.594 -3.027 415 2HG1 VAL 53 HG22 VAL 53 2.843 1.152 -3.231 416 3HG1 VAL 53 HG23 VAL 53 2.396 2.442 -2.114 417 1HG2 VAL 53 HG11 VAL 53 1.060 -1.416 -1.822 418 2HG2 VAL 53 HG12 VAL 53 2.770 -1.509 -1.402 419 3HG2 VAL 53 HG13 VAL 53 2.283 -0.920 -2.992 420 H MET 54 HN MET 54 4.749 2.507 0.104 421 HA MET 54 HA MET 54 3.043 4.096 1.828 422 1HB MET 54 HB1 MET 54 5.897 4.505 0.907 423 2HB MET 54 HB2 MET 54 5.060 5.537 2.059 424 1HG MET 54 HG1 MET 54 5.005 3.866 3.692 425 2HG MET 54 HG2 MET 54 5.378 2.596 2.528 426 1HE MET 54 HE1 MET 54 8.064 1.801 4.283 427 2HE MET 54 HE2 MET 54 6.497 2.337 4.889 428 3HE MET 54 HE3 MET 54 7.970 3.163 5.399 429 H VAL 55 HN VAL 55 2.804 6.427 1.466 430 HA VAL 55 HA VAL 55 2.857 7.203 -1.358 431 HB VAL 55 HB VAL 55 0.612 7.874 -1.442 432 1HG1 VAL 55 HG11 VAL 55 0.939 5.431 -1.577 433 2HG1 VAL 55 HG12 VAL 55 -0.659 5.879 -0.982 434 3HG1 VAL 55 HG13 VAL 55 0.575 5.317 0.145 435 1HG2 VAL 55 HG21 VAL 55 -0.904 7.857 0.503 436 2HG2 VAL 55 HG22 VAL 55 0.437 8.985 0.699 437 3HG2 VAL 55 HG23 VAL 55 0.463 7.433 1.536 438 H VAL 56 HN VAL 56 3.213 9.361 -1.731 439 HA VAL 56 HA VAL 56 3.965 10.935 0.615 440 HB VAL 56 HB VAL 56 4.288 11.935 -2.190 441 1HG1 VAL 56 HG11 VAL 56 5.526 13.490 -1.199 442 2HG1 VAL 56 HG12 VAL 56 6.511 12.269 -0.393 443 3HG1 VAL 56 HG13 VAL 56 5.013 12.828 0.353 444 1HG2 VAL 56 HG21 VAL 56 5.109 9.651 -2.295 445 2HG2 VAL 56 HG22 VAL 56 6.099 9.924 -0.861 446 3HG2 VAL 56 HG23 VAL 56 6.453 10.792 -2.354 447 H VAL 57 HN VAL 57 2.168 11.816 1.502 448 HA VAL 57 HA VAL 57 0.567 13.579 -0.224 449 HB VAL 57 HB VAL 57 -1.435 13.043 1.105 450 1HG1 VAL 57 HG21 VAL 57 -0.419 11.671 -0.997 451 2HG1 VAL 57 HG22 VAL 57 -2.015 11.385 -0.304 452 3HG1 VAL 57 HG23 VAL 57 -0.654 10.369 0.169 453 1HG2 VAL 57 HG11 VAL 57 -1.511 11.221 2.630 454 2HG2 VAL 57 HG12 VAL 57 -0.156 12.244 3.109 455 3HG2 VAL 57 HG13 VAL 57 0.139 10.741 2.234 456 H GLY 58 HN GLY 58 0.044 15.546 0.607 457 1HA GLY 58 HA2 GLY 58 -0.003 16.214 3.321 458 2HA GLY 58 HA1 GLY 58 1.593 16.607 2.703 459 H ASP 59 HN ASP 59 1.375 17.764 0.426 460 HA ASP 59 HA ASP 59 -0.103 20.189 0.965 461 1HB ASP 59 HB1 ASP 59 1.994 19.348 -0.982 462 2HB ASP 59 HB2 ASP 59 0.961 20.704 -1.426 463 H ALA 60 HN ALA 60 -0.835 17.298 -0.422 464 HA ALA 60 HA ALA 60 -2.321 18.058 -2.712 465 1HB ALA 60 HB1 ALA 60 -1.446 15.755 -2.109 466 2HB ALA 60 HB2 ALA 60 -3.076 15.837 -2.777 467 3HB ALA 60 HB3 ALA 60 -2.844 15.622 -1.041 468 H GLU 61 HN GLU 61 -4.662 16.366 -1.677 469 HA GLU 61 HA GLU 61 -5.995 18.268 0.084 470 1HB GLU 61 HB1 GLU 61 -8.013 18.029 -1.600 471 2HB GLU 61 HB2 GLU 61 -6.787 19.270 -1.826 472 1HG GLU 61 HG1 GLU 61 -5.655 17.324 -3.244 473 2HG GLU 61 HG2 GLU 61 -7.340 16.833 -3.408 474 H GLY 62 HN GLY 62 -8.572 17.288 -0.139 475 1HA GLY 62 HA1 GLY 62 -8.295 14.788 1.285 476 2HA GLY 62 HA2 GLY 62 -9.790 15.671 1.002 477 H GLY 63 HN GLY 63 -7.996 15.286 -1.820 478 1HA GLY 63 HA2 GLY 63 -9.963 13.599 -3.005 479 2HA GLY 63 HA1 GLY 63 -8.460 14.115 -3.749 480 H THR 64 HN THR 64 -7.284 12.880 -1.073 481 HA THR 64 HA THR 64 -6.562 10.401 -2.315 482 HB THR 64 HB THR 64 -4.957 10.201 -0.708 483 HG1 THR 64 HG1 THR 64 -6.743 11.405 1.138 484 1HG2 THR 64 HG21 THR 64 -3.939 12.186 -0.343 485 2HG2 THR 64 HG22 THR 64 -5.425 12.985 0.170 486 3HG2 THR 64 HG23 THR 64 -5.122 12.702 -1.544 487 H GLU 65 HN GLU 65 -9.268 11.361 -0.733 488 HA GLU 65 HA GLU 65 -9.922 9.298 1.032 489 1HB GLU 65 HB2 GLU 65 -12.283 9.843 0.445 490 2HB GLU 65 HB1 GLU 65 -11.321 11.254 0.854 491 1HG GLU 65 HG2 GLU 65 -10.972 11.510 -1.666 492 2HG GLU 65 HG1 GLU 65 -12.308 10.371 -1.828 493 H ALA 66 HN ALA 66 -9.651 9.412 -2.373 494 HA ALA 66 HA ALA 66 -11.278 7.335 -3.220 495 1HB ALA 66 HB1 ALA 66 -9.128 7.077 -4.874 496 2HB ALA 66 HB2 ALA 66 -8.910 8.716 -4.258 497 3HB ALA 66 HB3 ALA 66 -10.413 8.271 -5.068 498 H ALA 67 HN ALA 67 -8.222 7.225 -1.548 499 HA ALA 67 HA ALA 67 -7.470 4.587 -2.085 500 1HB ALA 67 HB1 ALA 67 -5.737 5.332 -0.911 501 2HB ALA 67 HB2 ALA 67 -6.695 5.104 0.552 502 3HB ALA 67 HB3 ALA 67 -6.686 6.670 -0.262 503 H GLU 68 HN GLU 68 -9.199 5.850 0.771 504 HA GLU 68 HA GLU 68 -9.826 3.359 1.882 505 1HB GLU 68 HB1 GLU 68 -11.306 5.989 2.091 506 2HB GLU 68 HB2 GLU 68 -11.614 4.589 3.108 507 1HG GLU 68 HG2 GLU 68 -8.822 5.222 3.153 508 2HG GLU 68 HG1 GLU 68 -9.774 6.658 3.532 509 H GLU 69 HN GLU 69 -11.377 5.257 -0.620 510 HA GLU 69 HA GLU 69 -13.850 3.909 -0.725 511 1HB GLU 69 HB1 GLU 69 -12.574 5.976 -2.149 512 2HB GLU 69 HB2 GLU 69 -12.956 4.741 -3.341 513 1HG GLU 69 HG2 GLU 69 -15.303 4.791 -2.162 514 2HG GLU 69 HG1 GLU 69 -14.773 6.402 -1.678 515 H SER 70 HN SER 70 -10.855 3.468 -2.574 516 HA SER 70 HA SER 70 -11.724 1.203 -4.021 517 1HB SER 70 HB1 SER 70 -9.511 2.841 -4.093 518 2HB SER 70 HB2 SER 70 -8.843 1.331 -3.475 519 HG SER 70 HG SER 70 -10.344 1.677 -5.858 520 H LEU 71 HN LEU 71 -10.665 1.653 -0.794 521 HA LEU 71 HA LEU 71 -9.701 -0.982 -0.309 522 1HB LEU 71 HB2 LEU 71 -9.983 1.461 1.139 523 2HB LEU 71 HB1 LEU 71 -10.681 0.170 2.093 524 HG LEU 71 HG LEU 71 -8.376 0.481 2.728 525 1HD1 LEU 71 HD11 LEU 71 -8.993 -1.764 2.928 526 2HD1 LEU 71 HD12 LEU 71 -7.455 -1.805 2.064 527 3HD1 LEU 71 HD13 LEU 71 -8.968 -2.020 1.182 528 1HD2 LEU 71 HD21 LEU 71 -7.703 -0.008 -0.168 529 2HD2 LEU 71 HD22 LEU 71 -6.540 0.163 1.148 530 3HD2 LEU 71 HD23 LEU 71 -7.560 1.527 0.689 531 H SER 72 HN SER 72 -12.826 0.499 -0.370 532 HA SER 72 HA SER 72 -14.248 -1.365 1.206 533 1HB SER 72 HB2 SER 72 -16.007 -0.039 0.728 534 2HB SER 72 HB1 SER 72 -14.855 0.986 -0.130 535 HG SER 72 HG SER 72 -15.342 -0.188 -2.028 536 H GLY 73 HN GLY 73 -12.814 -1.591 -1.861 537 1HA GLY 73 HA2 GLY 73 -13.874 -4.284 -2.205 538 2HA GLY 73 HA1 GLY 73 -14.209 -3.148 -3.503 539 H ILE 74 HN ILE 74 -11.314 -3.070 -1.603 540 HA ILE 74 HA ILE 74 -9.638 -3.135 -3.899 541 HB ILE 74 HB ILE 74 -9.309 -1.964 -1.597 542 1HG1 ILE 74 HG11 ILE 74 -6.696 -3.045 -2.284 543 2HG1 ILE 74 HG12 ILE 74 -7.621 -2.583 -3.709 544 1HG2 ILE 74 HG21 ILE 74 -8.315 -3.074 0.130 545 2HG2 ILE 74 HG22 ILE 74 -7.627 -4.317 -0.915 546 3HG2 ILE 74 HG23 ILE 74 -9.345 -4.351 -0.516 547 1HD1 ILE 74 HD11 ILE 74 -7.406 -0.403 -3.288 548 2HD1 ILE 74 HD12 ILE 74 -6.074 -0.908 -2.245 549 3HD1 ILE 74 HD13 ILE 74 -7.671 -0.608 -1.555 550 H GLU 75 HN GLU 75 -7.429 -4.625 -2.956 551 HA GLU 75 HA GLU 75 -7.821 -7.135 -4.059 552 1HB GLU 75 HB1 GLU 75 -5.687 -7.721 -2.829 553 2HB GLU 75 HB2 GLU 75 -5.603 -6.250 -3.801 554 1HG GLU 75 HG1 GLU 75 -6.410 -5.358 -1.318 555 2HG GLU 75 HG2 GLU 75 -5.219 -6.610 -0.969 556 H GLY 76 HN GLY 76 -9.737 -8.020 -3.261 557 1HA GLY 76 HA1 GLY 76 -10.425 -8.354 -0.579 558 2HA GLY 76 HA2 GLY 76 -11.042 -9.324 -1.906 559 H VAL 77 HN VAL 77 -8.263 -10.228 -2.553 560 HA VAL 77 HA VAL 77 -8.232 -12.464 -0.703 561 HB VAL 77 HB VAL 77 -7.884 -12.586 -3.256 562 1HG1 VAL 77 HG11 VAL 77 -5.023 -12.037 -2.532 563 2HG1 VAL 77 HG12 VAL 77 -6.090 -10.811 -3.215 564 3HG1 VAL 77 HG13 VAL 77 -5.721 -12.270 -4.134 565 1HG2 VAL 77 HG21 VAL 77 -7.652 -14.529 -1.869 566 2HG2 VAL 77 HG22 VAL 77 -6.069 -13.995 -1.296 567 3HG2 VAL 77 HG23 VAL 77 -6.281 -14.494 -2.977 568 H SER 78 HN SER 78 -6.317 -9.704 -1.574 569 HA SER 78 HA SER 78 -4.239 -10.381 0.339 570 1HB SER 78 HB2 SER 78 -4.025 -7.786 -1.004 571 2HB SER 78 HB1 SER 78 -2.881 -9.126 -0.989 572 HG SER 78 HG SER 78 -4.135 -10.121 -2.612 573 H ASN 79 HN ASN 79 -5.301 -10.060 2.347 574 HA ASN 79 HA ASN 79 -6.638 -7.565 2.874 575 1HB ASN 79 HB2 ASN 79 -6.953 -9.847 4.136 576 2HB ASN 79 HB1 ASN 79 -5.603 -9.265 5.106 577 1HD2 ASN 79 HD21 ASN 79 -6.222 -6.474 5.103 578 2HD2 ASN 79 HD22 ASN 79 -7.673 -6.261 6.011 579 H ILE 80 HN ILE 80 -5.781 -5.756 3.449 580 HA ILE 80 HA ILE 80 -2.897 -5.666 3.768 581 HB ILE 80 HB ILE 80 -4.823 -3.390 3.392 582 1HG1 ILE 80 HG11 ILE 80 -3.528 -3.878 0.965 583 2HG1 ILE 80 HG12 ILE 80 -4.049 -5.462 1.531 584 1HG2 ILE 80 HG21 ILE 80 -2.090 -3.474 3.919 585 2HG2 ILE 80 HG22 ILE 80 -3.054 -2.081 3.436 586 3HG2 ILE 80 HG23 ILE 80 -2.241 -3.055 2.214 587 1HD1 ILE 80 HD11 ILE 80 -6.168 -3.593 1.906 588 2HD1 ILE 80 HD12 ILE 80 -6.118 -5.038 0.895 589 3HD1 ILE 80 HD13 ILE 80 -5.577 -3.489 0.248 590 H GLU 81 HN GLU 81 -1.864 -4.474 5.336 591 HA GLU 81 HA GLU 81 -3.319 -4.062 7.828 592 1HB GLU 81 HB2 GLU 81 -1.040 -5.137 7.846 593 2HB GLU 81 HB1 GLU 81 -0.380 -3.626 7.236 594 1HG GLU 81 HG1 GLU 81 0.019 -3.499 9.506 595 2HG GLU 81 HG2 GLU 81 -1.460 -2.559 9.308 596 H VAL 82 HN VAL 82 -4.592 -2.512 6.625 597 HA VAL 82 HA VAL 82 -3.373 -0.150 5.579 598 HB VAL 82 HB VAL 82 -6.284 -0.854 6.043 599 1HG1 VAL 82 HG21 VAL 82 -4.945 1.573 5.049 600 2HG1 VAL 82 HG22 VAL 82 -6.587 1.360 5.661 601 3HG1 VAL 82 HG23 VAL 82 -6.212 0.954 3.985 602 1HG2 VAL 82 HG11 VAL 82 -4.367 -1.338 3.826 603 2HG2 VAL 82 HG12 VAL 82 -6.055 -1.006 3.434 604 3HG2 VAL 82 HG13 VAL 82 -5.644 -2.372 4.475 605 H THR 83 HN THR 83 -2.504 -0.274 8.075 606 HA THR 83 HA THR 83 -3.864 1.971 9.368 607 HB THR 83 HB THR 83 -2.634 -0.199 11.040 608 HG1 THR 83 HG1 THR 83 -4.148 -1.431 10.205 609 1HG2 THR 83 HG21 THR 83 -3.971 2.237 11.586 610 2HG2 THR 83 HG22 THR 83 -3.300 1.061 12.715 611 3HG2 THR 83 HG23 THR 83 -4.969 0.904 12.167 612 H ASP 84 HN ASP 84 -1.225 1.118 7.783 613 HA ASP 84 HA ASP 84 0.775 2.010 9.690 614 1HB ASP 84 HB1 ASP 84 1.086 0.130 7.972 615 2HB ASP 84 HB2 ASP 84 1.243 1.411 6.778 616 H VAL 85 HN VAL 85 1.767 3.947 9.691 617 HA VAL 85 HA VAL 85 1.314 5.830 7.517 618 HB VAL 85 HB VAL 85 -0.538 6.022 9.307 619 1HG1 VAL 85 HG11 VAL 85 -0.070 7.217 11.289 620 2HG1 VAL 85 HG12 VAL 85 1.574 7.589 10.765 621 3HG1 VAL 85 HG13 VAL 85 1.139 5.936 11.198 622 1HG2 VAL 85 HG21 VAL 85 -0.018 7.664 7.502 623 2HG2 VAL 85 HG22 VAL 85 1.022 8.513 8.646 624 3HG2 VAL 85 HG23 VAL 85 -0.708 8.381 8.957 625 H ARG 86 HN ARG 86 2.550 7.901 7.912 626 HA ARG 86 HA ARG 86 4.847 7.615 9.678 627 1HB ARG 86 HB1 ARG 86 4.980 7.736 6.678 628 2HB ARG 86 HB2 ARG 86 6.320 8.286 7.676 629 1HG ARG 86 HG2 ARG 86 5.431 5.706 8.551 630 2HG ARG 86 HG1 ARG 86 5.777 5.689 6.822 631 1HD ARG 86 HD1 ARG 86 7.670 5.235 8.577 632 2HD ARG 86 HD2 ARG 86 7.999 6.177 7.123 633 HE ARG 86 HE ARG 86 8.268 8.054 8.433 634 1HH1 ARG 86 HH21 ARG 86 6.942 5.456 10.343 635 2HH1 ARG 86 HH22 ARG 86 7.175 6.275 11.851 636 1HH2 ARG 86 HH12 ARG 86 8.577 9.137 10.416 637 2HH2 ARG 86 HH11 ARG 86 8.104 8.365 11.893 638 H ARG 87 HN ARG 87 4.715 9.403 10.795 639 HA ARG 87 HA ARG 87 3.755 11.882 9.648 640 1HB ARG 87 HB1 ARG 87 4.525 10.970 12.396 641 2HB ARG 87 HB2 ARG 87 4.413 12.691 12.054 642 1HG ARG 87 HG1 ARG 87 2.104 11.175 11.122 643 2HG ARG 87 HG2 ARG 87 2.355 11.084 12.865 644 1HD ARG 87 HD2 ARG 87 2.579 13.606 12.825 645 2HD ARG 87 HD1 ARG 87 1.979 13.538 11.170 646 HE ARG 87 HE ARG 87 0.086 12.184 12.479 647 1HH1 ARG 87 HH21 ARG 87 1.627 15.229 13.175 648 2HH1 ARG 87 HH22 ARG 87 0.242 15.896 13.973 649 1HH2 ARG 87 HH11 ARG 87 -1.744 13.051 13.528 650 2HH2 ARG 87 HH12 ARG 87 -1.673 14.657 14.175 651 H LEU 88 HN LEU 88 5.493 12.133 8.063 652 HA LEU 88 HA LEU 88 8.168 12.591 9.049 653 1HB LEU 88 HB1 LEU 88 6.849 12.519 6.394 654 2HB LEU 88 HB2 LEU 88 8.276 13.524 6.538 655 HG LEU 88 HG LEU 88 9.502 11.516 7.403 656 1HD1 LEU 88 HD21 LEU 88 7.767 10.124 8.189 657 2HD1 LEU 88 HD22 LEU 88 8.417 9.318 6.760 658 3HD1 LEU 88 HD23 LEU 88 6.896 10.210 6.657 659 1HD2 LEU 88 HD11 LEU 88 10.026 11.990 5.229 660 2HD2 LEU 88 HD12 LEU 88 8.356 11.810 4.682 661 3HD2 LEU 88 HD13 LEU 88 9.327 10.378 5.039 662 H MET 89 HN MET 89 7.846 14.326 10.504 663 HA MET 89 HA MET 89 6.870 16.849 9.422 664 1HB MET 89 HB2 MET 89 7.911 16.361 12.210 665 2HB MET 89 HB1 MET 89 6.859 17.659 11.662 666 1HG MET 89 HG2 MET 89 5.843 14.919 11.286 667 2HG MET 89 HG1 MET 89 5.992 15.478 12.951 668 1HE MET 89 HE1 MET 89 4.595 15.700 9.612 669 2HE MET 89 HE2 MET 89 4.379 17.446 9.492 670 3HE MET 89 HE3 MET 89 2.993 16.407 9.818 Start of MODEL 22 1 1H MET 1 HT1 MET 1 11.416 18.728 4.654 2 2H MET 1 HT2 MET 1 12.617 17.767 5.417 3 3H MET 1 HT3 MET 1 11.941 19.110 6.243 4 HA MET 1 HA MET 1 10.440 16.732 5.376 5 1HB MET 1 HB2 MET 1 12.293 17.067 7.496 6 2HB MET 1 HB1 MET 1 10.691 17.057 8.218 7 1HG MET 1 HG1 MET 1 10.610 14.859 8.048 8 2HG MET 1 HG2 MET 1 10.807 14.970 6.300 9 1HE MET 1 HE1 MET 1 13.369 13.941 9.649 10 2HE MET 1 HE2 MET 1 12.473 15.456 9.533 11 3HE MET 1 HE3 MET 1 14.193 15.415 9.143 12 H GLY 2 HN GLY 2 8.289 16.911 5.609 13 1HA GLY 2 HA1 GLY 2 6.900 18.432 7.476 14 2HA GLY 2 HA2 GLY 2 7.116 19.457 6.065 15 H ASP 3 HN ASP 3 7.065 16.455 4.844 16 HA ASP 3 HA ASP 3 4.265 16.710 4.068 17 1HB ASP 3 HB2 ASP 3 4.788 15.029 2.352 18 2HB ASP 3 HB1 ASP 3 5.884 16.407 2.273 19 H VAL 4 HN VAL 4 2.933 14.739 3.915 20 HA VAL 4 HA VAL 4 3.339 13.067 6.298 21 HB VAL 4 HB VAL 4 1.018 14.345 5.109 22 1HG1 VAL 4 HG11 VAL 4 0.286 12.344 4.214 23 2HG1 VAL 4 HG12 VAL 4 -0.513 12.401 5.785 24 3HG1 VAL 4 HG13 VAL 4 0.915 11.390 5.558 25 1HG2 VAL 4 HG21 VAL 4 0.327 13.238 7.556 26 2HG2 VAL 4 HG22 VAL 4 0.938 14.867 7.267 27 3HG2 VAL 4 HG23 VAL 4 2.053 13.568 7.692 28 H VAL 5 HN VAL 5 3.555 10.878 6.124 29 HA VAL 5 HA VAL 5 3.153 9.691 3.449 30 HB VAL 5 HB VAL 5 5.305 8.931 5.435 31 1HG1 VAL 5 HG11 VAL 5 4.103 7.465 3.313 32 2HG1 VAL 5 HG12 VAL 5 5.462 7.005 4.341 33 3HG1 VAL 5 HG13 VAL 5 5.750 7.880 2.836 34 1HG2 VAL 5 HG21 VAL 5 6.815 9.740 3.587 35 2HG2 VAL 5 HG22 VAL 5 5.908 10.999 4.425 36 3HG2 VAL 5 HG23 VAL 5 5.388 10.449 2.833 37 H ALA 6 HN ALA 6 1.637 8.172 3.424 38 HA ALA 6 HA ALA 6 0.929 6.796 5.921 39 1HB ALA 6 HB1 ALA 6 -0.816 6.046 3.823 40 2HB ALA 6 HB2 ALA 6 -0.604 7.796 3.736 41 3HB ALA 6 HB3 ALA 6 -1.167 7.048 5.231 42 H THR 7 HN THR 7 0.373 4.397 5.628 43 HA THR 7 HA THR 7 1.985 3.161 3.528 44 HB THR 7 HB THR 7 2.276 2.328 6.403 45 HG1 THR 7 HG1 THR 7 4.149 3.458 6.439 46 1HG2 THR 7 HG21 THR 7 2.814 0.510 5.019 47 2HG2 THR 7 HG22 THR 7 4.345 1.241 5.498 48 3HG2 THR 7 HG23 THR 7 3.696 1.539 3.883 49 H ILE 8 HN ILE 8 1.242 1.379 2.717 50 HA ILE 8 HA ILE 8 -1.100 0.068 3.940 51 HB ILE 8 HB ILE 8 -0.624 0.229 0.979 52 1HG1 ILE 8 HG12 ILE 8 -0.625 2.547 2.110 53 2HG1 ILE 8 HG11 ILE 8 -1.726 2.290 0.762 54 1HG2 ILE 8 HG21 ILE 8 -3.296 0.337 1.384 55 2HG2 ILE 8 HG22 ILE 8 -2.766 -0.629 2.764 56 3HG2 ILE 8 HG23 ILE 8 -2.366 -1.140 1.122 57 1HD1 ILE 8 HD11 ILE 8 -3.521 2.677 2.017 58 2HD1 ILE 8 HD12 ILE 8 -2.389 3.348 3.193 59 3HD1 ILE 8 HD13 ILE 8 -2.924 1.675 3.341 60 H LYS 9 HN LYS 9 -0.366 -1.900 4.645 61 HA LYS 9 HA LYS 9 1.696 -3.305 3.108 62 1HB LYS 9 HB1 LYS 9 0.724 -4.545 5.587 63 2HB LYS 9 HB2 LYS 9 2.364 -4.282 5.013 64 1HG LYS 9 HG2 LYS 9 0.931 -1.846 5.812 65 2HG LYS 9 HG1 LYS 9 1.235 -2.994 7.110 66 1HD LYS 9 HD2 LYS 9 3.416 -2.166 5.234 67 2HD LYS 9 HD1 LYS 9 2.995 -1.195 6.647 68 1HE LYS 9 HE1 LYS 9 3.466 -3.030 8.121 69 2HE LYS 9 HE2 LYS 9 3.722 -4.116 6.757 70 1HZ LYS 9 HZ1 LYS 9 5.848 -3.551 6.832 71 2HZ LYS 9 HZ2 LYS 9 5.564 -2.376 8.016 72 3HZ LYS 9 HZ3 LYS 9 5.430 -1.977 6.377 73 H VAL 10 HN VAL 10 0.580 -4.178 1.400 74 HA VAL 10 HA VAL 10 -1.788 -5.777 1.917 75 HB VAL 10 HB VAL 10 -2.442 -5.195 -0.116 76 1HG1 VAL 10 HG21 VAL 10 -0.697 -3.288 0.631 77 2HG1 VAL 10 HG22 VAL 10 -1.686 -3.201 -0.827 78 3HG1 VAL 10 HG23 VAL 10 -0.013 -3.749 -0.929 79 1HG2 VAL 10 HG11 VAL 10 -1.158 -5.667 -2.176 80 2HG2 VAL 10 HG12 VAL 10 -1.328 -7.070 -1.120 81 3HG2 VAL 10 HG13 VAL 10 0.199 -6.186 -1.174 82 H MET 11 HN MET 11 -1.971 -7.941 1.797 83 HA MET 11 HA MET 11 0.178 -9.510 0.625 84 1HB MET 11 HB2 MET 11 0.941 -10.532 2.493 85 2HB MET 11 HB1 MET 11 0.348 -9.080 3.283 86 1HG MET 11 HG1 MET 11 -1.415 -10.147 4.252 87 2HG MET 11 HG2 MET 11 -1.533 -11.354 2.974 88 1HE MET 11 HE1 MET 11 -0.004 -14.346 4.452 89 2HE MET 11 HE2 MET 11 -0.042 -13.577 2.865 90 3HE MET 11 HE3 MET 11 -1.494 -13.605 3.866 91 HA PRO 12 HA PRO 12 -3.488 -11.681 -0.734 92 1HB PRO 12 HB1 PRO 12 -1.602 -13.559 -1.969 93 2HB PRO 12 HB2 PRO 12 -2.760 -12.469 -2.738 94 1HG PRO 12 HG1 PRO 12 -0.105 -12.056 -2.881 95 2HG PRO 12 HG2 PRO 12 -1.263 -10.716 -2.808 96 1HD PRO 12 HD2 PRO 12 0.400 -11.901 -0.606 97 2HD PRO 12 HD1 PRO 12 0.112 -10.191 -1.000 98 H GLU 13 HN GLU 13 -4.550 -12.930 0.670 99 HA GLU 13 HA GLU 13 -3.422 -14.569 2.611 100 1HB GLU 13 HB1 GLU 13 -6.077 -13.978 1.621 101 2HB GLU 13 HB2 GLU 13 -5.933 -15.678 2.043 102 1HG GLU 13 HG1 GLU 13 -4.888 -13.703 3.985 103 2HG GLU 13 HG2 GLU 13 -6.637 -13.816 3.797 104 H SER 14 HN SER 14 -4.196 -15.228 -0.716 105 HA SER 14 HA SER 14 -3.939 -18.087 -0.469 106 1HB SER 14 HB2 SER 14 -4.981 -16.335 -2.395 107 2HB SER 14 HB1 SER 14 -3.581 -17.077 -3.169 108 HG SER 14 HG SER 14 -5.998 -18.164 -2.527 109 HA PRO 15 HA PRO 15 0.406 -18.424 -0.905 110 1HB PRO 15 HB2 PRO 15 0.188 -20.817 -2.536 111 2HB PRO 15 HB1 PRO 15 0.666 -20.663 -0.845 112 1HG PRO 15 HG2 PRO 15 -1.663 -21.828 -1.643 113 2HG PRO 15 HG1 PRO 15 -1.443 -21.042 -0.070 114 1HD PRO 15 HD2 PRO 15 -2.778 -20.011 -2.536 115 2HD PRO 15 HD1 PRO 15 -3.240 -19.810 -0.832 116 H ASP 16 HN ASP 16 -1.572 -17.742 -3.449 117 HA ASP 16 HA ASP 16 0.497 -17.814 -5.505 118 1HB ASP 16 HB2 ASP 16 -2.203 -18.250 -5.657 119 2HB ASP 16 HB1 ASP 16 -2.089 -16.566 -6.160 120 H VAL 17 HN VAL 17 1.062 -16.171 -3.374 121 HA VAL 17 HA VAL 17 0.233 -13.500 -3.656 122 HB VAL 17 HB VAL 17 2.789 -14.588 -2.459 123 1HG1 VAL 17 HG21 VAL 17 3.401 -12.416 -2.503 124 2HG1 VAL 17 HG22 VAL 17 2.323 -12.296 -1.111 125 3HG1 VAL 17 HG23 VAL 17 1.745 -11.842 -2.717 126 1HG2 VAL 17 HG11 VAL 17 0.522 -13.600 -0.823 127 2HG2 VAL 17 HG12 VAL 17 1.691 -14.877 -0.488 128 3HG2 VAL 17 HG13 VAL 17 0.354 -15.176 -1.598 129 H ASP 18 HN ASP 18 0.370 -13.226 -5.998 130 HA ASP 18 HA ASP 18 2.873 -13.254 -7.371 131 1HB ASP 18 HB1 ASP 18 0.158 -12.125 -8.012 132 2HB ASP 18 HB2 ASP 18 1.550 -11.816 -9.051 133 H LEU 19 HN LEU 19 4.422 -12.009 -6.562 134 HA LEU 19 HA LEU 19 4.069 -9.543 -5.275 135 1HB LEU 19 HB1 LEU 19 6.160 -11.291 -5.729 136 2HB LEU 19 HB2 LEU 19 6.630 -9.892 -6.674 137 HG LEU 19 HG LEU 19 7.638 -9.750 -4.498 138 1HD1 LEU 19 HD11 LEU 19 6.489 -7.714 -5.667 139 2HD1 LEU 19 HD12 LEU 19 7.137 -7.557 -4.033 140 3HD1 LEU 19 HD13 LEU 19 5.405 -7.788 -4.277 141 1HD2 LEU 19 HD21 LEU 19 4.836 -10.093 -3.458 142 2HD2 LEU 19 HD22 LEU 19 6.191 -9.546 -2.470 143 3HD2 LEU 19 HD23 LEU 19 6.223 -11.151 -3.199 144 H GLU 20 HN GLU 20 5.247 -10.216 -8.575 145 HA GLU 20 HA GLU 20 5.417 -7.483 -9.272 146 1HB GLU 20 HB1 GLU 20 6.766 -8.988 -10.482 147 2HB GLU 20 HB2 GLU 20 5.404 -10.015 -10.898 148 1HG GLU 20 HG2 GLU 20 4.517 -8.137 -12.281 149 2HG GLU 20 HG1 GLU 20 6.023 -7.274 -11.971 150 H ALA 21 HN ALA 21 2.885 -9.886 -9.614 151 HA ALA 21 HA ALA 21 1.230 -8.283 -11.295 152 1HB ALA 21 HB1 ALA 21 0.126 -10.360 -9.450 153 2HB ALA 21 HB2 ALA 21 1.087 -10.827 -10.854 154 3HB ALA 21 HB3 ALA 21 -0.405 -9.912 -11.071 155 H LEU 22 HN LEU 22 1.653 -8.678 -7.861 156 HA LEU 22 HA LEU 22 -0.564 -7.116 -7.017 157 1HB LEU 22 HB2 LEU 22 1.136 -8.716 -5.706 158 2HB LEU 22 HB1 LEU 22 1.959 -7.201 -5.420 159 HG LEU 22 HG LEU 22 0.511 -6.594 -3.820 160 1HD1 LEU 22 HD21 LEU 22 -1.914 -6.693 -3.997 161 2HD1 LEU 22 HD22 LEU 22 -1.779 -7.664 -5.464 162 3HD1 LEU 22 HD23 LEU 22 -1.207 -5.995 -5.457 163 1HD2 LEU 22 HD11 LEU 22 -0.886 -8.494 -2.874 164 2HD2 LEU 22 HD12 LEU 22 0.856 -8.754 -2.996 165 3HD2 LEU 22 HD13 LEU 22 -0.227 -9.474 -4.186 166 H LYS 23 HN LYS 23 2.693 -6.459 -8.007 167 HA LYS 23 HA LYS 23 2.999 -3.816 -7.163 168 1HB LYS 23 HB2 LYS 23 4.263 -5.644 -9.057 169 2HB LYS 23 HB1 LYS 23 4.292 -3.983 -9.628 170 1HG LYS 23 HG2 LYS 23 6.171 -3.832 -8.439 171 2HG LYS 23 HG1 LYS 23 5.100 -3.688 -7.042 172 1HD LYS 23 HD2 LYS 23 5.336 -5.971 -6.506 173 2HD LYS 23 HD1 LYS 23 6.082 -6.336 -8.064 174 1HE LYS 23 HE2 LYS 23 7.977 -6.230 -6.838 175 2HE LYS 23 HE1 LYS 23 7.818 -4.509 -7.178 176 1HZ LYS 23 HZ1 LYS 23 7.588 -4.093 -5.028 177 2HZ LYS 23 HZ2 LYS 23 7.930 -5.717 -4.700 178 3HZ LYS 23 HZ3 LYS 23 6.327 -5.210 -4.874 179 H LYS 24 HN LYS 24 1.681 -5.131 -10.183 180 HA LYS 24 HA LYS 24 1.126 -2.623 -11.365 181 1HB LYS 24 HB1 LYS 24 -0.465 -5.100 -11.961 182 2HB LYS 24 HB2 LYS 24 0.027 -3.814 -13.055 183 1HG LYS 24 HG1 LYS 24 2.419 -4.625 -12.630 184 2HG LYS 24 HG2 LYS 24 1.660 -6.074 -11.966 185 1HD LYS 24 HD2 LYS 24 0.354 -5.582 -14.393 186 2HD LYS 24 HD1 LYS 24 2.070 -5.322 -14.714 187 1HE LYS 24 HE1 LYS 24 2.565 -7.519 -13.726 188 2HE LYS 24 HE2 LYS 24 0.840 -7.779 -13.471 189 1HZ LYS 24 HZ1 LYS 24 1.086 -8.815 -15.455 190 2HZ LYS 24 HZ2 LYS 24 2.384 -7.849 -15.949 191 3HZ LYS 24 HZ3 LYS 24 0.803 -7.254 -16.040 192 H GLU 25 HN GLU 25 -0.786 -4.836 -9.366 193 HA GLU 25 HA GLU 25 -3.233 -3.411 -9.613 194 1HB GLU 25 HB1 GLU 25 -2.309 -5.223 -7.373 195 2HB GLU 25 HB2 GLU 25 -3.968 -4.733 -7.687 196 1HG GLU 25 HG2 GLU 25 -3.753 -5.849 -9.933 197 2HG GLU 25 HG1 GLU 25 -2.222 -6.512 -9.365 198 H ILE 26 HN ILE 26 -0.442 -3.116 -7.584 199 HA ILE 26 HA ILE 26 -1.499 -1.526 -5.531 200 HB ILE 26 HB ILE 26 1.251 -2.017 -6.596 201 1HG1 ILE 26 HG12 ILE 26 0.373 -2.116 -3.730 202 2HG1 ILE 26 HG11 ILE 26 -0.142 -3.383 -4.839 203 1HG2 ILE 26 HG21 ILE 26 1.770 0.144 -6.149 204 2HG2 ILE 26 HG22 ILE 26 1.870 -0.473 -4.500 205 3HG2 ILE 26 HG23 ILE 26 0.413 0.359 -5.043 206 1HD1 ILE 26 HD11 ILE 26 2.575 -2.739 -3.828 207 2HD1 ILE 26 HD12 ILE 26 2.403 -3.499 -5.410 208 3HD1 ILE 26 HD13 ILE 26 1.761 -4.296 -3.974 209 H GLN 27 HN GLN 27 -0.016 -0.658 -8.637 210 HA GLN 27 HA GLN 27 -0.015 2.129 -8.231 211 1HB GLN 27 HB1 GLN 27 -0.265 0.625 -10.846 212 2HB GLN 27 HB2 GLN 27 0.230 2.302 -10.657 213 1HG GLN 27 HG1 GLN 27 1.919 0.724 -9.027 214 2HG GLN 27 HG2 GLN 27 1.823 -0.046 -10.609 215 1HE2 GLN 27 HE22 GLN 27 3.764 1.796 -8.972 216 2HE2 GLN 27 HE21 GLN 27 4.339 2.884 -10.184 217 H GLU 28 HN GLU 28 -2.446 -0.097 -9.477 218 HA GLU 28 HA GLU 28 -4.253 1.971 -10.308 219 1HB GLU 28 HB1 GLU 28 -5.024 -0.884 -9.761 220 2HB GLU 28 HB2 GLU 28 -5.725 0.235 -10.922 221 1HG GLU 28 HG1 GLU 28 -2.946 -0.900 -11.100 222 2HG GLU 28 HG2 GLU 28 -4.352 -1.539 -11.952 223 H ARG 29 HN ARG 29 -3.596 0.370 -7.337 224 HA ARG 29 HA ARG 29 -6.196 0.994 -6.205 225 1HB ARG 29 HB2 ARG 29 -5.564 -0.309 -4.357 226 2HB ARG 29 HB1 ARG 29 -4.891 -1.138 -5.753 227 1HG ARG 29 HG1 ARG 29 -2.708 -0.287 -5.283 228 2HG ARG 29 HG2 ARG 29 -3.335 0.731 -3.983 229 1HD ARG 29 HD1 ARG 29 -4.156 -1.443 -2.923 230 2HD ARG 29 HD2 ARG 29 -3.123 -2.267 -4.088 231 HE ARG 29 HE ARG 29 -1.381 -1.795 -2.719 232 1HH1 ARG 29 HH11 ARG 29 -3.781 0.701 -2.286 233 2HH1 ARG 29 HH12 ARG 29 -2.859 1.552 -1.093 234 1HH2 ARG 29 HH21 ARG 29 -0.172 -0.681 -1.155 235 2HH2 ARG 29 HH22 ARG 29 -0.808 0.768 -0.453 236 H ILE 30 HN ILE 30 -3.203 2.541 -6.545 237 HA ILE 30 HA ILE 30 -2.946 3.894 -4.105 238 HB ILE 30 HB ILE 30 -2.139 4.763 -6.880 239 1HG1 ILE 30 HG11 ILE 30 -1.096 2.688 -5.962 240 2HG1 ILE 30 HG12 ILE 30 0.059 3.976 -6.276 241 1HG2 ILE 30 HG21 ILE 30 -2.374 6.442 -4.721 242 2HG2 ILE 30 HG22 ILE 30 -1.315 6.694 -6.111 243 3HG2 ILE 30 HG23 ILE 30 -0.681 5.946 -4.644 244 1HD1 ILE 30 HD11 ILE 30 0.587 2.889 -4.200 245 2HD1 ILE 30 HD12 ILE 30 -1.047 3.167 -3.599 246 3HD1 ILE 30 HD13 ILE 30 0.034 4.533 -3.875 247 HA PRO 31 HA PRO 31 -6.415 6.659 -3.909 248 1HB PRO 31 HB2 PRO 31 -5.022 8.823 -2.815 249 2HB PRO 31 HB1 PRO 31 -5.828 7.543 -1.914 250 1HG PRO 31 HG1 PRO 31 -2.955 7.841 -2.622 251 2HG PRO 31 HG2 PRO 31 -3.699 7.184 -1.158 252 1HD PRO 31 HD1 PRO 31 -2.637 5.568 -2.996 253 2HD PRO 31 HD2 PRO 31 -4.128 5.129 -2.138 254 H GLU 32 HN GLU 32 -7.228 7.710 -5.536 255 HA GLU 32 HA GLU 32 -5.753 8.783 -7.677 256 1HB GLU 32 HB2 GLU 32 -8.380 8.101 -7.249 257 2HB GLU 32 HB1 GLU 32 -8.464 9.852 -7.372 258 1HG GLU 32 HG2 GLU 32 -7.512 9.831 -9.546 259 2HG GLU 32 HG1 GLU 32 -7.095 8.123 -9.413 260 H GLY 33 HN GLY 33 -5.873 10.044 -4.680 261 1HA GLY 33 HA1 GLY 33 -6.363 12.807 -5.358 262 2HA GLY 33 HA2 GLY 33 -5.852 12.190 -3.796 263 H THR 34 HN THR 34 -3.510 11.231 -3.905 264 HA THR 34 HA THR 34 -1.851 13.246 -5.271 265 HB THR 34 HB THR 34 -0.818 11.736 -2.916 266 HG1 THR 34 HG1 THR 34 -3.019 13.368 -2.876 267 1HG2 THR 34 HG21 THR 34 -0.411 14.441 -4.092 268 2HG2 THR 34 HG22 THR 34 0.777 13.221 -3.635 269 3HG2 THR 34 HG23 THR 34 -0.055 14.153 -2.389 270 H GLU 35 HN GLU 35 0.361 11.288 -4.036 271 HA GLU 35 HA GLU 35 0.241 9.253 -6.138 272 1HB GLU 35 HB1 GLU 35 2.375 11.325 -5.762 273 2HB GLU 35 HB2 GLU 35 2.800 9.744 -6.401 274 1HG GLU 35 HG1 GLU 35 0.628 10.449 -7.922 275 2HG GLU 35 HG2 GLU 35 1.464 11.983 -7.686 276 H LEU 36 HN LEU 36 1.971 7.588 -5.841 277 HA LEU 36 HA LEU 36 1.936 6.700 -3.122 278 1HB LEU 36 HB1 LEU 36 2.804 4.668 -3.904 279 2HB LEU 36 HB2 LEU 36 1.743 5.237 -5.174 280 HG LEU 36 HG LEU 36 4.761 5.315 -5.182 281 1HD1 LEU 36 HD21 LEU 36 2.721 3.724 -6.728 282 2HD1 LEU 36 HD22 LEU 36 3.949 3.116 -5.616 283 3HD1 LEU 36 HD23 LEU 36 4.429 3.820 -7.159 284 1HD2 LEU 36 HD11 LEU 36 2.774 6.399 -7.170 285 2HD2 LEU 36 HD12 LEU 36 4.477 6.118 -7.529 286 3HD2 LEU 36 HD13 LEU 36 4.020 7.291 -6.296 287 H HIS 37 HN HIS 37 4.293 5.484 -2.628 288 HA HIS 37 HA HIS 37 6.295 7.644 -2.669 289 1HB HIS 37 HB1 HIS 37 5.178 7.607 -0.488 290 2HB HIS 37 HB2 HIS 37 5.534 5.897 -0.320 291 HD2 HIS 37 HD2 HIS 37 7.899 5.303 0.831 292 HE1 HIS 37 HE1 HIS 37 9.489 9.227 0.753 293 HE2 HIS 37 HE2 HIS 37 9.848 6.851 1.568 294 H LYS 38 HN LYS 38 6.309 4.489 -1.130 295 HA LYS 38 HA LYS 38 7.989 3.252 -3.086 296 1HB LYS 38 HB2 LYS 38 9.935 4.076 -2.325 297 2HB LYS 38 HB1 LYS 38 9.173 4.764 -0.904 298 1HG LYS 38 HG2 LYS 38 10.715 3.305 -0.008 299 2HG LYS 38 HG1 LYS 38 9.227 2.358 0.019 300 1HD LYS 38 HD1 LYS 38 9.892 1.037 -1.780 301 2HD LYS 38 HD2 LYS 38 11.096 2.209 -2.318 302 1HE LYS 38 HE1 LYS 38 12.074 0.184 -1.262 303 2HE LYS 38 HE2 LYS 38 12.521 1.691 -0.464 304 1HZ LYS 38 HZ1 LYS 38 11.436 -0.521 0.728 305 2HZ LYS 38 HZ2 LYS 38 10.149 0.572 0.650 306 3HZ LYS 38 HZ3 LYS 38 11.589 1.016 1.418 307 H ILE 39 HN ILE 39 7.722 1.104 -2.962 308 HA ILE 39 HA ILE 39 6.102 0.086 -0.784 309 HB ILE 39 HB ILE 39 6.970 -1.506 -3.166 310 1HG1 ILE 39 HG11 ILE 39 4.839 0.624 -2.972 311 2HG1 ILE 39 HG12 ILE 39 6.122 0.476 -4.169 312 1HG2 ILE 39 HG21 ILE 39 4.688 -2.503 -2.766 313 2HG2 ILE 39 HG22 ILE 39 4.628 -1.561 -1.276 314 3HG2 ILE 39 HG23 ILE 39 5.876 -2.789 -1.494 315 1HD1 ILE 39 HD11 ILE 39 4.741 -1.843 -4.529 316 2HD1 ILE 39 HD12 ILE 39 4.531 -0.368 -5.473 317 3HD1 ILE 39 HD13 ILE 39 3.462 -0.702 -4.109 318 H ASP 40 HN ASP 40 6.519 -2.000 0.190 319 HA ASP 40 HA ASP 40 9.385 -2.646 0.403 320 1HB ASP 40 HB1 ASP 40 7.889 -1.467 2.383 321 2HB ASP 40 HB2 ASP 40 7.757 -3.176 2.787 322 H GLU 41 HN GLU 41 9.737 -4.654 -0.295 323 HA GLU 41 HA GLU 41 7.598 -6.592 -0.403 324 1HB GLU 41 HB2 GLU 41 9.569 -8.071 -1.242 325 2HB GLU 41 HB1 GLU 41 8.973 -6.770 -2.265 326 1HG GLU 41 HG2 GLU 41 10.812 -5.412 -1.813 327 2HG GLU 41 HG1 GLU 41 11.264 -6.352 -0.393 328 H GLU 42 HN GLU 42 7.316 -6.526 1.974 329 HA GLU 42 HA GLU 42 9.334 -8.011 3.490 330 1HB GLU 42 HB1 GLU 42 7.364 -5.978 4.128 331 2HB GLU 42 HB2 GLU 42 7.221 -7.364 5.201 332 1HG GLU 42 HG2 GLU 42 9.908 -6.983 5.171 333 2HG GLU 42 HG1 GLU 42 9.308 -5.327 5.018 334 HA PRO 43 HA PRO 43 6.724 -11.578 3.156 335 1HB PRO 43 HB1 PRO 43 8.262 -13.291 4.582 336 2HB PRO 43 HB2 PRO 43 8.659 -12.768 2.944 337 1HG PRO 43 HG2 PRO 43 9.892 -12.011 5.516 338 2HG PRO 43 HG1 PRO 43 10.577 -11.969 3.885 339 1HD PRO 43 HD1 PRO 43 9.537 -9.785 5.389 340 2HD PRO 43 HD2 PRO 43 10.116 -9.762 3.716 341 H ILE 44 HN ILE 44 5.375 -12.909 4.361 342 HA ILE 44 HA ILE 44 4.990 -12.096 7.166 343 HB ILE 44 HB ILE 44 2.680 -12.955 5.485 344 1HG1 ILE 44 HG12 ILE 44 3.902 -11.241 4.157 345 2HG1 ILE 44 HG11 ILE 44 2.316 -10.687 4.679 346 1HG2 ILE 44 HG21 ILE 44 3.086 -11.934 8.097 347 2HG2 ILE 44 HG22 ILE 44 1.571 -12.397 7.322 348 3HG2 ILE 44 HG23 ILE 44 2.161 -10.741 7.187 349 1HD1 ILE 44 HD11 ILE 44 3.427 -8.844 5.299 350 2HD1 ILE 44 HD12 ILE 44 4.985 -9.672 5.324 351 3HD1 ILE 44 HD13 ILE 44 3.897 -9.798 6.707 352 H ALA 45 HN ALA 45 3.210 -14.467 5.255 353 HA ALA 45 HA ALA 45 3.359 -16.447 7.279 354 1HB ALA 45 HB1 ALA 45 2.735 -17.165 4.453 355 2HB ALA 45 HB2 ALA 45 1.638 -16.102 5.336 356 3HB ALA 45 HB3 ALA 45 1.983 -17.719 5.950 357 H PHE 46 HN PHE 46 3.837 -18.760 5.605 358 HA PHE 46 HA PHE 46 6.662 -18.958 5.945 359 1HB PHE 46 HB2 PHE 46 4.575 -20.806 4.801 360 2HB PHE 46 HB1 PHE 46 6.286 -21.218 4.787 361 HD1 PHE 46 HD1 PHE 46 7.503 -21.508 6.920 362 HD2 PHE 46 HD2 PHE 46 3.287 -20.946 6.787 363 HE1 PHE 46 HE1 PHE 46 7.321 -22.359 9.221 364 HE2 PHE 46 HE2 PHE 46 3.097 -21.797 9.087 365 HZ PHE 46 HZ PHE 46 5.116 -22.504 10.308 366 H GLY 47 HN GLY 47 4.582 -18.087 3.333 367 1HA GLY 47 HA1 GLY 47 6.921 -17.577 1.667 368 2HA GLY 47 HA2 GLY 47 5.739 -18.701 1.021 369 H LEU 48 HN LEU 48 4.032 -16.513 2.830 370 HA LEU 48 HA LEU 48 3.248 -15.072 0.419 371 1HB LEU 48 HB2 LEU 48 1.938 -14.853 3.117 372 2HB LEU 48 HB1 LEU 48 1.255 -14.479 1.548 373 HG LEU 48 HG LEU 48 1.664 -17.156 2.833 374 1HD1 LEU 48 HD11 LEU 48 -0.537 -15.447 2.251 375 2HD1 LEU 48 HD12 LEU 48 -0.535 -17.012 3.065 376 3HD1 LEU 48 HD13 LEU 48 -0.712 -16.930 1.312 377 1HD2 LEU 48 HD21 LEU 48 2.708 -17.397 0.662 378 2HD2 LEU 48 HD22 LEU 48 1.307 -16.667 -0.120 379 3HD2 LEU 48 HD23 LEU 48 1.154 -18.230 0.682 380 H VAL 49 HN VAL 49 4.567 -13.403 0.024 381 HA VAL 49 HA VAL 49 5.495 -11.708 2.194 382 HB VAL 49 HB VAL 49 6.144 -11.723 -0.755 383 1HG1 VAL 49 HG21 VAL 49 6.446 -9.602 1.109 384 2HG1 VAL 49 HG22 VAL 49 7.001 -9.687 -0.563 385 3HG1 VAL 49 HG23 VAL 49 8.047 -10.243 0.742 386 1HG2 VAL 49 HG11 VAL 49 7.582 -13.319 -0.201 387 2HG2 VAL 49 HG12 VAL 49 7.158 -13.169 1.505 388 3HG2 VAL 49 HG13 VAL 49 8.425 -12.151 0.818 389 H ALA 50 HN ALA 50 4.672 -9.796 2.698 390 HA ALA 50 HA ALA 50 2.563 -8.655 1.026 391 1HB ALA 50 HB1 ALA 50 2.190 -9.007 3.470 392 2HB ALA 50 HB2 ALA 50 1.938 -7.347 2.925 393 3HB ALA 50 HB3 ALA 50 3.420 -7.782 3.778 394 H LEU 51 HN LEU 51 2.562 -6.451 0.432 395 HA LEU 51 HA LEU 51 5.242 -5.239 0.353 396 1HB LEU 51 HB1 LEU 51 3.278 -4.314 -1.628 397 2HB LEU 51 HB2 LEU 51 4.978 -4.689 -1.820 398 HG LEU 51 HG LEU 51 2.722 -6.693 -1.764 399 1HD1 LEU 51 HD21 LEU 51 4.271 -6.734 -4.149 400 2HD1 LEU 51 HD22 LEU 51 3.739 -5.079 -3.851 401 3HD1 LEU 51 HD23 LEU 51 2.554 -6.381 -3.951 402 1HD2 LEU 51 HD11 LEU 51 5.637 -7.179 -2.317 403 2HD2 LEU 51 HD12 LEU 51 4.344 -8.377 -2.236 404 3HD2 LEU 51 HD13 LEU 51 4.845 -7.522 -0.779 405 H ASN 52 HN ASN 52 5.466 -3.458 1.462 406 HA ASN 52 HA ASN 52 3.121 -2.063 2.469 407 1HB ASN 52 HB1 ASN 52 5.981 -1.341 3.091 408 2HB ASN 52 HB2 ASN 52 4.546 -1.132 4.093 409 1HD2 ASN 52 HD22 ASN 52 3.528 -3.785 3.646 410 2HD2 ASN 52 HD21 ASN 52 4.545 -4.867 4.528 411 H VAL 53 HN VAL 53 2.370 -0.971 0.716 412 HA VAL 53 HA VAL 53 4.101 0.768 -0.806 413 HB VAL 53 HB VAL 53 1.102 0.628 -1.008 414 1HG1 VAL 53 HG21 VAL 53 1.319 1.837 -2.882 415 2HG1 VAL 53 HG22 VAL 53 2.729 0.922 -3.418 416 3HG1 VAL 53 HG23 VAL 53 2.920 2.240 -2.262 417 1HG2 VAL 53 HG11 VAL 53 1.166 -1.450 -1.766 418 2HG2 VAL 53 HG12 VAL 53 2.889 -1.521 -1.397 419 3HG2 VAL 53 HG13 VAL 53 2.351 -0.988 -2.988 420 H MET 54 HN MET 54 4.738 2.520 0.312 421 HA MET 54 HA MET 54 2.898 4.010 1.971 422 1HB MET 54 HB1 MET 54 5.788 4.428 1.199 423 2HB MET 54 HB2 MET 54 4.896 5.572 2.191 424 1HG MET 54 HG1 MET 54 5.625 4.400 3.928 425 2HG MET 54 HG2 MET 54 4.433 3.188 3.461 426 1HE MET 54 HE1 MET 54 6.432 2.547 5.229 427 2HE MET 54 HE2 MET 54 7.922 1.762 4.711 428 3HE MET 54 HE3 MET 54 6.384 0.908 4.580 429 H VAL 55 HN VAL 55 2.707 6.407 1.670 430 HA VAL 55 HA VAL 55 2.690 7.180 -1.162 431 HB VAL 55 HB VAL 55 0.453 7.915 -1.138 432 1HG1 VAL 55 HG11 VAL 55 0.600 5.538 -1.446 433 2HG1 VAL 55 HG12 VAL 55 -0.838 5.901 -0.490 434 3HG1 VAL 55 HG13 VAL 55 0.611 5.276 0.299 435 1HG2 VAL 55 HG21 VAL 55 0.584 7.556 1.838 436 2HG2 VAL 55 HG22 VAL 55 -0.953 7.672 0.980 437 3HG2 VAL 55 HG23 VAL 55 0.194 9.011 0.920 438 H VAL 56 HN VAL 56 3.181 9.279 -1.560 439 HA VAL 56 HA VAL 56 3.925 10.905 0.757 440 HB VAL 56 HB VAL 56 4.426 11.821 -2.039 441 1HG1 VAL 56 HG11 VAL 56 5.870 13.219 -1.053 442 2HG1 VAL 56 HG12 VAL 56 6.533 11.955 -0.018 443 3HG1 VAL 56 HG13 VAL 56 5.043 12.782 0.443 444 1HG2 VAL 56 HG21 VAL 56 5.538 9.378 -0.829 445 2HG2 VAL 56 HG22 VAL 56 6.716 10.483 -1.540 446 3HG2 VAL 56 HG23 VAL 56 5.398 9.847 -2.524 447 H VAL 57 HN VAL 57 2.113 11.867 1.507 448 HA VAL 57 HA VAL 57 0.704 13.650 -0.356 449 HB VAL 57 HB VAL 57 -1.409 13.220 0.792 450 1HG1 VAL 57 HG21 VAL 57 -0.082 11.499 -0.974 451 2HG1 VAL 57 HG22 VAL 57 -1.821 11.633 -0.711 452 3HG1 VAL 57 HG23 VAL 57 -0.878 10.458 0.205 453 1HG2 VAL 57 HG11 VAL 57 -0.382 12.562 2.967 454 2HG2 VAL 57 HG12 VAL 57 0.002 10.997 2.248 455 3HG2 VAL 57 HG13 VAL 57 -1.680 11.498 2.422 456 H GLY 58 HN GLY 58 0.203 15.660 0.400 457 1HA GLY 58 HA2 GLY 58 0.089 16.399 3.104 458 2HA GLY 58 HA1 GLY 58 1.710 16.725 2.515 459 H ASP 59 HN ASP 59 1.500 17.778 0.129 460 HA ASP 59 HA ASP 59 0.180 20.297 0.604 461 1HB ASP 59 HB1 ASP 59 1.822 19.313 -1.740 462 2HB ASP 59 HB2 ASP 59 1.219 20.959 -1.564 463 H ALA 60 HN ALA 60 -0.680 17.376 -0.747 464 HA ALA 60 HA ALA 60 -2.328 18.200 -2.902 465 1HB ALA 60 HB1 ALA 60 -3.102 15.976 -2.955 466 2HB ALA 60 HB2 ALA 60 -2.692 15.716 -1.258 467 3HB ALA 60 HB3 ALA 60 -1.411 15.890 -2.458 468 H GLU 61 HN GLU 61 -4.573 16.459 -1.718 469 HA GLU 61 HA GLU 61 -5.772 18.313 0.183 470 1HB GLU 61 HB1 GLU 61 -7.910 17.936 -1.438 471 2HB GLU 61 HB2 GLU 61 -6.869 19.351 -1.499 472 1HG GLU 61 HG1 GLU 61 -5.505 18.084 -3.226 473 2HG GLU 61 HG2 GLU 61 -6.853 16.949 -3.294 474 H GLY 62 HN GLY 62 -8.365 17.297 0.106 475 1HA GLY 62 HA1 GLY 62 -7.955 14.792 1.487 476 2HA GLY 62 HA2 GLY 62 -9.481 15.648 1.302 477 H GLY 63 HN GLY 63 -7.804 15.278 -1.608 478 1HA GLY 63 HA2 GLY 63 -9.827 13.600 -2.713 479 2HA GLY 63 HA1 GLY 63 -8.356 14.116 -3.521 480 H THR 64 HN THR 64 -7.063 12.876 -0.907 481 HA THR 64 HA THR 64 -6.399 10.397 -2.181 482 HB THR 64 HB THR 64 -4.762 10.147 -0.585 483 HG1 THR 64 HG1 THR 64 -5.593 11.717 1.448 484 1HG2 THR 64 HG21 THR 64 -4.726 12.520 -1.614 485 2HG2 THR 64 HG22 THR 64 -3.669 12.138 -0.255 486 3HG2 THR 64 HG23 THR 64 -5.161 13.039 0.014 487 H GLU 65 HN GLU 65 -9.043 11.345 -0.492 488 HA GLU 65 HA GLU 65 -9.610 9.276 1.303 489 1HB GLU 65 HB2 GLU 65 -11.995 9.824 0.831 490 2HB GLU 65 HB1 GLU 65 -11.015 11.236 1.196 491 1HG GLU 65 HG2 GLU 65 -10.853 11.730 -1.195 492 2HG GLU 65 HG1 GLU 65 -11.862 10.328 -1.544 493 H ALA 66 HN ALA 66 -9.501 9.405 -2.111 494 HA ALA 66 HA ALA 66 -11.172 7.326 -2.871 495 1HB ALA 66 HB1 ALA 66 -8.559 7.697 -4.261 496 2HB ALA 66 HB2 ALA 66 -9.747 9.001 -4.278 497 3HB ALA 66 HB3 ALA 66 -10.165 7.418 -4.936 498 H ALA 67 HN ALA 67 -8.078 7.209 -1.300 499 HA ALA 67 HA ALA 67 -7.301 4.593 -1.951 500 1HB ALA 67 HB1 ALA 67 -6.680 5.461 0.783 501 2HB ALA 67 HB2 ALA 67 -6.199 6.590 -0.484 502 3HB ALA 67 HB3 ALA 67 -5.609 4.927 -0.511 503 H GLU 68 HN GLU 68 -8.981 5.767 0.969 504 HA GLU 68 HA GLU 68 -9.585 3.245 2.028 505 1HB GLU 68 HB1 GLU 68 -11.056 5.873 2.315 506 2HB GLU 68 HB2 GLU 68 -11.372 4.449 3.294 507 1HG GLU 68 HG2 GLU 68 -8.966 4.541 4.013 508 2HG GLU 68 HG1 GLU 68 -8.873 6.113 3.220 509 H GLU 69 HN GLU 69 -11.157 5.204 -0.408 510 HA GLU 69 HA GLU 69 -13.625 3.842 -0.531 511 1HB GLU 69 HB1 GLU 69 -12.184 5.830 -2.108 512 2HB GLU 69 HB2 GLU 69 -13.118 4.728 -3.110 513 1HG GLU 69 HG2 GLU 69 -14.999 5.267 -1.347 514 2HG GLU 69 HG1 GLU 69 -14.035 6.725 -1.116 515 H SER 70 HN SER 70 -10.642 3.503 -2.418 516 HA SER 70 HA SER 70 -11.505 1.310 -3.974 517 1HB SER 70 HB1 SER 70 -9.378 2.956 -4.119 518 2HB SER 70 HB2 SER 70 -8.612 1.571 -3.342 519 HG SER 70 HG SER 70 -8.555 1.486 -5.655 520 H LEU 71 HN LEU 71 -10.499 1.612 -0.731 521 HA LEU 71 HA LEU 71 -9.505 -1.032 -0.348 522 1HB LEU 71 HB2 LEU 71 -9.884 1.343 1.211 523 2HB LEU 71 HB1 LEU 71 -10.512 -0.033 2.092 524 HG LEU 71 HG LEU 71 -8.222 0.358 2.737 525 1HD1 LEU 71 HD11 LEU 71 -9.071 -2.082 1.404 526 2HD1 LEU 71 HD12 LEU 71 -8.248 -1.859 2.949 527 3HD1 LEU 71 HD13 LEU 71 -7.318 -1.897 1.452 528 1HD2 LEU 71 HD21 LEU 71 -6.423 0.004 0.964 529 2HD2 LEU 71 HD22 LEU 71 -7.279 1.547 0.955 530 3HD2 LEU 71 HD23 LEU 71 -7.699 0.297 -0.216 531 H SER 72 HN SER 72 -12.635 0.475 -0.290 532 HA SER 72 HA SER 72 -14.059 -1.510 1.126 533 1HB SER 72 HB1 SER 72 -14.662 0.954 0.082 534 2HB SER 72 HB2 SER 72 -15.539 -0.124 -1.007 535 HG SER 72 HG SER 72 -16.672 -0.931 0.708 536 H GLY 73 HN GLY 73 -12.586 -1.550 -1.904 537 1HA GLY 73 HA2 GLY 73 -13.774 -4.141 -2.505 538 2HA GLY 73 HA1 GLY 73 -13.999 -2.886 -3.714 539 H ILE 74 HN ILE 74 -11.160 -3.036 -1.750 540 HA ILE 74 HA ILE 74 -9.438 -3.115 -4.017 541 HB ILE 74 HB ILE 74 -9.088 -2.004 -1.695 542 1HG1 ILE 74 HG11 ILE 74 -6.553 -3.303 -2.434 543 2HG1 ILE 74 HG12 ILE 74 -7.420 -2.567 -3.779 544 1HG2 ILE 74 HG21 ILE 74 -8.061 -3.209 0.002 545 2HG2 ILE 74 HG22 ILE 74 -7.665 -4.560 -1.061 546 3HG2 ILE 74 HG23 ILE 74 -9.335 -4.290 -0.562 547 1HD1 ILE 74 HD11 ILE 74 -7.469 -0.441 -2.587 548 2HD1 ILE 74 HD12 ILE 74 -5.820 -1.024 -2.812 549 3HD1 ILE 74 HD13 ILE 74 -6.602 -1.179 -1.239 550 H GLU 75 HN GLU 75 -7.325 -4.738 -3.154 551 HA GLU 75 HA GLU 75 -7.887 -7.195 -4.286 552 1HB GLU 75 HB1 GLU 75 -5.800 -7.928 -2.910 553 2HB GLU 75 HB2 GLU 75 -5.622 -6.674 -4.131 554 1HG GLU 75 HG1 GLU 75 -6.317 -5.533 -1.585 555 2HG GLU 75 HG2 GLU 75 -4.874 -6.539 -1.461 556 H GLY 76 HN GLY 76 -9.708 -8.187 -3.539 557 1HA GLY 76 HA1 GLY 76 -10.511 -8.467 -0.887 558 2HA GLY 76 HA2 GLY 76 -11.025 -9.503 -2.207 559 H VAL 77 HN VAL 77 -8.277 -10.431 -2.741 560 HA VAL 77 HA VAL 77 -8.229 -12.529 -0.737 561 HB VAL 77 HB VAL 77 -6.274 -12.220 -3.003 562 1HG1 VAL 77 HG21 VAL 77 -7.347 -14.817 -2.020 563 2HG1 VAL 77 HG22 VAL 77 -6.171 -13.961 -1.021 564 3HG1 VAL 77 HG23 VAL 77 -5.755 -14.425 -2.670 565 1HG2 VAL 77 HG11 VAL 77 -8.346 -12.049 -4.111 566 2HG2 VAL 77 HG12 VAL 77 -9.083 -13.285 -3.092 567 3HG2 VAL 77 HG13 VAL 77 -7.856 -13.735 -4.275 568 H SER 78 HN SER 78 -6.280 -9.820 -1.779 569 HA SER 78 HA SER 78 -4.245 -10.406 0.208 570 1HB SER 78 HB2 SER 78 -4.341 -8.105 -1.751 571 2HB SER 78 HB1 SER 78 -2.924 -8.722 -0.904 572 HG SER 78 HG SER 78 -3.693 -9.412 -3.263 573 H ASN 79 HN ASN 79 -5.363 -9.960 2.151 574 HA ASN 79 HA ASN 79 -6.639 -7.405 2.539 575 1HB ASN 79 HB2 ASN 79 -7.610 -8.965 3.940 576 2HB ASN 79 HB1 ASN 79 -6.082 -9.755 4.300 577 1HD2 ASN 79 HD21 ASN 79 -6.768 -6.247 4.557 578 2HD2 ASN 79 HD22 ASN 79 -6.550 -6.187 6.268 579 H ILE 80 HN ILE 80 -5.749 -5.614 3.158 580 HA ILE 80 HA ILE 80 -2.888 -5.612 3.631 581 HB ILE 80 HB ILE 80 -4.717 -3.275 3.147 582 1HG1 ILE 80 HG11 ILE 80 -3.422 -3.704 0.774 583 2HG1 ILE 80 HG12 ILE 80 -3.748 -5.350 1.310 584 1HG2 ILE 80 HG21 ILE 80 -2.900 -2.054 3.367 585 2HG2 ILE 80 HG22 ILE 80 -2.110 -2.968 2.082 586 3HG2 ILE 80 HG23 ILE 80 -1.977 -3.504 3.757 587 1HD1 ILE 80 HD11 ILE 80 -5.602 -3.241 0.425 588 2HD1 ILE 80 HD12 ILE 80 -6.151 -4.275 1.743 589 3HD1 ILE 80 HD13 ILE 80 -5.672 -4.989 0.203 590 H GLU 81 HN GLU 81 -1.899 -4.426 5.247 591 HA GLU 81 HA GLU 81 -3.453 -4.010 7.677 592 1HB GLU 81 HB2 GLU 81 -1.191 -5.128 7.755 593 2HB GLU 81 HB1 GLU 81 -0.484 -3.607 7.230 594 1HG GLU 81 HG2 GLU 81 -1.361 -2.518 9.244 595 2HG GLU 81 HG1 GLU 81 -2.028 -4.063 9.773 596 H VAL 82 HN VAL 82 -4.636 -2.412 6.417 597 HA VAL 82 HA VAL 82 -3.318 -0.028 5.541 598 HB VAL 82 HB VAL 82 -6.268 -0.686 5.775 599 1HG1 VAL 82 HG21 VAL 82 -5.872 1.129 3.699 600 2HG1 VAL 82 HG22 VAL 82 -4.848 1.732 5.004 601 3HG1 VAL 82 HG23 VAL 82 -6.574 1.481 5.279 602 1HG2 VAL 82 HG11 VAL 82 -5.640 -2.209 4.230 603 2HG2 VAL 82 HG12 VAL 82 -4.207 -1.297 3.746 604 3HG2 VAL 82 HG13 VAL 82 -5.799 -0.810 3.163 605 H THR 83 HN THR 83 -2.626 -0.193 8.095 606 HA THR 83 HA THR 83 -4.173 1.956 9.352 607 HB THR 83 HB THR 83 -2.967 -0.202 11.048 608 HG1 THR 83 HG1 THR 83 -4.344 -1.317 9.680 609 1HG2 THR 83 HG21 THR 83 -5.508 1.249 11.594 610 2HG2 THR 83 HG22 THR 83 -3.956 2.029 11.902 611 3HG2 THR 83 HG23 THR 83 -4.362 0.519 12.719 612 H ASP 84 HN ASP 84 -1.353 1.408 7.947 613 HA ASP 84 HA ASP 84 0.406 2.219 10.091 614 1HB ASP 84 HB2 ASP 84 0.825 1.617 7.176 615 2HB ASP 84 HB1 ASP 84 2.105 2.290 8.182 616 H VAL 85 HN VAL 85 1.520 4.142 10.218 617 HA VAL 85 HA VAL 85 0.776 6.340 8.454 618 HB VAL 85 HB VAL 85 -0.136 5.980 11.225 619 1HG1 VAL 85 HG21 VAL 85 -0.042 8.345 11.808 620 2HG1 VAL 85 HG22 VAL 85 0.893 8.673 10.350 621 3HG1 VAL 85 HG23 VAL 85 1.577 7.669 11.629 622 1HG2 VAL 85 HG11 VAL 85 -1.997 7.178 10.476 623 2HG2 VAL 85 HG12 VAL 85 -1.485 6.214 9.091 624 3HG2 VAL 85 HG13 VAL 85 -1.090 7.933 9.165 625 H ARG 86 HN ARG 86 2.358 7.877 8.229 626 HA ARG 86 HA ARG 86 4.534 8.006 10.126 627 1HB ARG 86 HB1 ARG 86 5.711 6.510 8.932 628 2HB ARG 86 HB2 ARG 86 4.658 6.669 7.540 629 1HG ARG 86 HG1 ARG 86 6.029 8.054 6.497 630 2HG ARG 86 HG2 ARG 86 6.369 8.969 7.964 631 1HD ARG 86 HD1 ARG 86 8.048 7.451 8.639 632 2HD ARG 86 HD2 ARG 86 7.525 6.242 7.468 633 HE ARG 86 HE ARG 86 9.214 8.538 6.968 634 1HH1 ARG 86 HH12 ARG 86 7.231 6.015 5.608 635 2HH1 ARG 86 HH11 ARG 86 7.980 6.090 4.048 636 1HH2 ARG 86 HH21 ARG 86 10.206 8.642 4.917 637 2HH2 ARG 86 HH22 ARG 86 9.671 7.583 3.656 638 H ARG 87 HN ARG 87 3.783 10.128 10.516 639 HA ARG 87 HA ARG 87 3.574 12.022 8.356 640 1HB ARG 87 HB2 ARG 87 3.321 12.261 11.345 641 2HB ARG 87 HB1 ARG 87 3.232 13.656 10.278 642 1HG ARG 87 HG2 ARG 87 1.026 13.189 10.406 643 2HG ARG 87 HG1 ARG 87 1.446 12.112 9.070 644 1HD ARG 87 HD1 ARG 87 0.948 10.308 10.242 645 2HD ARG 87 HD2 ARG 87 1.906 10.854 11.615 646 HE ARG 87 HE ARG 87 -0.907 11.603 11.143 647 1HH1 ARG 87 HH12 ARG 87 1.775 10.960 13.272 648 2HH1 ARG 87 HH11 ARG 87 0.845 11.167 14.718 649 1HH2 ARG 87 HH22 ARG 87 -2.139 11.878 13.043 650 2HH2 ARG 87 HH21 ARG 87 -1.379 11.689 14.588 651 H LEU 88 HN LEU 88 5.440 12.741 7.423 652 HA LEU 88 HA LEU 88 7.821 13.127 9.053 653 1HB LEU 88 HB1 LEU 88 7.969 14.218 6.367 654 2HB LEU 88 HB2 LEU 88 9.011 13.063 7.168 655 HG LEU 88 HG LEU 88 6.406 12.383 5.810 656 1HD1 LEU 88 HD11 LEU 88 7.559 11.862 3.916 657 2HD1 LEU 88 HD12 LEU 88 9.053 11.514 4.786 658 3HD1 LEU 88 HD13 LEU 88 8.567 13.186 4.500 659 1HD2 LEU 88 HD21 LEU 88 8.312 10.249 6.230 660 2HD2 LEU 88 HD22 LEU 88 6.597 10.332 6.640 661 3HD2 LEU 88 HD23 LEU 88 7.803 10.984 7.751 662 H MET 89 HN MET 89 7.126 14.773 10.432 663 HA MET 89 HA MET 89 6.369 17.328 9.247 664 1HB MET 89 HB1 MET 89 5.848 18.029 11.508 665 2HB MET 89 HB2 MET 89 5.088 16.480 11.169 666 1HG MET 89 HG2 MET 89 7.615 15.925 12.277 667 2HG MET 89 HG1 MET 89 6.882 17.188 13.262 668 1HE MET 89 HE1 MET 89 4.160 17.005 13.518 669 2HE MET 89 HE2 MET 89 3.400 15.513 14.072 670 3HE MET 89 HE3 MET 89 3.607 15.808 12.346 Start of MODEL 23 1 1H MET 1 HT1 MET 1 12.019 18.371 6.968 2 2H MET 1 HT2 MET 1 11.718 17.473 5.538 3 3H MET 1 HT3 MET 1 12.764 16.842 6.741 4 HA MET 1 HA MET 1 10.516 15.868 6.658 5 1HB MET 1 HB2 MET 1 12.233 16.535 8.753 6 2HB MET 1 HB1 MET 1 10.640 17.002 9.336 7 1HG MET 1 HG1 MET 1 9.823 14.832 9.220 8 2HG MET 1 HG2 MET 1 11.100 14.308 8.124 9 1HE MET 1 HE1 MET 1 12.504 12.046 10.420 10 2HE MET 1 HE2 MET 1 13.606 13.036 9.462 11 3HE MET 1 HE3 MET 1 12.040 12.567 8.801 12 H GLY 2 HN GLY 2 8.465 16.335 6.230 13 1HA GLY 2 HA1 GLY 2 6.862 18.126 7.632 14 2HA GLY 2 HA2 GLY 2 7.464 18.997 6.231 15 H ASP 3 HN ASP 3 7.395 15.909 5.265 16 HA ASP 3 HA ASP 3 4.848 16.283 3.883 17 1HB ASP 3 HB2 ASP 3 5.603 14.481 2.405 18 2HB ASP 3 HB1 ASP 3 6.822 15.746 2.523 19 H VAL 4 HN VAL 4 3.196 14.743 3.892 20 HA VAL 4 HA VAL 4 3.204 12.979 6.234 21 HB VAL 4 HB VAL 4 0.758 13.279 4.576 22 1HG1 VAL 4 HG21 VAL 4 1.516 12.610 7.328 23 2HG1 VAL 4 HG22 VAL 4 0.145 12.063 6.362 24 3HG1 VAL 4 HG23 VAL 4 0.077 13.621 7.186 25 1HG2 VAL 4 HG11 VAL 4 0.312 15.366 6.111 26 2HG2 VAL 4 HG12 VAL 4 1.136 15.541 4.561 27 3HG2 VAL 4 HG13 VAL 4 2.069 15.505 6.058 28 H VAL 5 HN VAL 5 3.853 10.949 5.873 29 HA VAL 5 HA VAL 5 3.278 9.745 3.247 30 HB VAL 5 HB VAL 5 5.421 9.110 5.275 31 1HG1 VAL 5 HG11 VAL 5 5.274 6.994 4.564 32 2HG1 VAL 5 HG12 VAL 5 5.992 7.591 3.069 33 3HG1 VAL 5 HG13 VAL 5 4.241 7.427 3.201 34 1HG2 VAL 5 HG21 VAL 5 6.617 10.546 4.078 35 2HG2 VAL 5 HG22 VAL 5 5.289 10.764 2.938 36 3HG2 VAL 5 HG23 VAL 5 6.458 9.466 2.692 37 H ALA 6 HN ALA 6 1.731 8.252 3.164 38 HA ALA 6 HA ALA 6 0.892 6.895 5.628 39 1HB ALA 6 HB1 ALA 6 -0.882 6.060 3.761 40 2HB ALA 6 HB2 ALA 6 -0.447 7.645 3.121 41 3HB ALA 6 HB3 ALA 6 -1.093 7.501 4.756 42 H THR 7 HN THR 7 0.319 4.499 5.344 43 HA THR 7 HA THR 7 1.990 3.193 3.340 44 HB THR 7 HB THR 7 2.225 2.437 6.242 45 HG1 THR 7 HG1 THR 7 3.080 4.574 5.690 46 1HG2 THR 7 HG21 THR 7 2.866 0.617 4.886 47 2HG2 THR 7 HG22 THR 7 4.354 1.399 5.423 48 3HG2 THR 7 HG23 THR 7 3.761 1.666 3.781 49 H ILE 8 HN ILE 8 1.120 1.503 2.476 50 HA ILE 8 HA ILE 8 -1.155 0.166 3.795 51 HB ILE 8 HB ILE 8 -0.738 0.454 0.817 52 1HG1 ILE 8 HG12 ILE 8 -1.031 2.665 2.072 53 2HG1 ILE 8 HG11 ILE 8 -2.170 2.336 0.771 54 1HG2 ILE 8 HG21 ILE 8 -3.311 0.086 0.999 55 2HG2 ILE 8 HG22 ILE 8 -2.886 -0.623 2.561 56 3HG2 ILE 8 HG23 ILE 8 -2.193 -1.278 1.076 57 1HD1 ILE 8 HD11 ILE 8 -2.987 3.280 3.062 58 2HD1 ILE 8 HD12 ILE 8 -2.911 1.587 3.554 59 3HD1 ILE 8 HD13 ILE 8 -3.937 2.067 2.200 60 H LYS 9 HN LYS 9 -0.405 -1.790 4.495 61 HA LYS 9 HA LYS 9 1.630 -3.205 2.936 62 1HB LYS 9 HB1 LYS 9 0.712 -4.441 5.430 63 2HB LYS 9 HB2 LYS 9 2.339 -4.137 4.846 64 1HG LYS 9 HG2 LYS 9 0.940 -1.697 5.590 65 2HG LYS 9 HG1 LYS 9 1.084 -2.842 6.921 66 1HD LYS 9 HD2 LYS 9 3.440 -2.133 5.216 67 2HD LYS 9 HD1 LYS 9 2.958 -1.139 6.591 68 1HE LYS 9 HE2 LYS 9 3.572 -4.087 6.730 69 2HE LYS 9 HE1 LYS 9 4.707 -2.804 7.148 70 1HZ LYS 9 HZ1 LYS 9 2.464 -3.840 8.645 71 2HZ LYS 9 HZ2 LYS 9 2.568 -2.151 8.630 72 3HZ LYS 9 HZ3 LYS 9 3.871 -3.074 9.192 73 H VAL 10 HN VAL 10 0.497 -4.104 1.260 74 HA VAL 10 HA VAL 10 -1.859 -5.703 1.827 75 HB VAL 10 HB VAL 10 -2.533 -5.119 -0.197 76 1HG1 VAL 10 HG21 VAL 10 -0.792 -3.218 0.494 77 2HG1 VAL 10 HG22 VAL 10 -1.724 -3.169 -1.005 78 3HG1 VAL 10 HG23 VAL 10 -0.055 -3.740 -1.023 79 1HG2 VAL 10 HG11 VAL 10 -1.562 -5.841 -2.216 80 2HG2 VAL 10 HG12 VAL 10 -1.190 -7.089 -1.029 81 3HG2 VAL 10 HG13 VAL 10 0.049 -5.926 -1.501 82 H MET 11 HN MET 11 -2.049 -7.878 1.705 83 HA MET 11 HA MET 11 0.130 -9.449 0.584 84 1HB MET 11 HB2 MET 11 0.751 -10.576 2.486 85 2HB MET 11 HB1 MET 11 0.375 -9.000 3.163 86 1HG MET 11 HG1 MET 11 -1.384 -9.755 4.331 87 2HG MET 11 HG2 MET 11 -1.871 -10.893 3.078 88 1HE MET 11 HE1 MET 11 0.108 -13.163 2.635 89 2HE MET 11 HE2 MET 11 -1.592 -13.217 3.103 90 3HE MET 11 HE3 MET 11 -0.400 -14.166 3.993 91 HA PRO 12 HA PRO 12 -3.458 -11.670 -0.871 92 1HB PRO 12 HB1 PRO 12 -1.541 -13.553 -2.039 93 2HB PRO 12 HB2 PRO 12 -2.650 -12.441 -2.848 94 1HG PRO 12 HG1 PRO 12 0.021 -12.079 -2.864 95 2HG PRO 12 HG2 PRO 12 -1.121 -10.723 -2.865 96 1HD PRO 12 HD2 PRO 12 0.420 -11.897 -0.572 97 2HD PRO 12 HD1 PRO 12 0.159 -10.189 -0.993 98 H GLU 13 HN GLU 13 -4.624 -13.054 0.278 99 HA GLU 13 HA GLU 13 -3.646 -14.644 2.351 100 1HB GLU 13 HB1 GLU 13 -6.204 -14.168 1.057 101 2HB GLU 13 HB2 GLU 13 -6.035 -15.844 1.564 102 1HG GLU 13 HG2 GLU 13 -6.008 -15.319 3.777 103 2HG GLU 13 HG1 GLU 13 -5.295 -13.730 3.507 104 H SER 14 HN SER 14 -4.149 -15.365 -1.040 105 HA SER 14 HA SER 14 -3.791 -18.199 -0.711 106 1HB SER 14 HB2 SER 14 -4.099 -16.352 -3.058 107 2HB SER 14 HB1 SER 14 -3.534 -18.002 -3.314 108 HG SER 14 HG SER 14 -5.572 -18.486 -3.267 109 HA PRO 15 HA PRO 15 0.598 -18.426 -0.911 110 1HB PRO 15 HB2 PRO 15 0.984 -20.740 -2.283 111 2HB PRO 15 HB1 PRO 15 0.414 -20.696 -0.610 112 1HG PRO 15 HG2 PRO 15 -1.152 -21.037 -3.140 113 2HG PRO 15 HG1 PRO 15 -1.314 -21.900 -1.599 114 1HD PRO 15 HD2 PRO 15 -2.966 -19.878 -2.317 115 2HD PRO 15 HD1 PRO 15 -2.524 -20.196 -0.627 116 H ASP 16 HN ASP 16 -1.272 -17.854 -3.600 117 HA ASP 16 HA ASP 16 0.932 -17.819 -5.510 118 1HB ASP 16 HB2 ASP 16 -1.969 -17.934 -5.688 119 2HB ASP 16 HB1 ASP 16 -1.306 -16.672 -6.725 120 H VAL 17 HN VAL 17 1.305 -16.175 -3.373 121 HA VAL 17 HA VAL 17 0.381 -13.541 -3.647 122 HB VAL 17 HB VAL 17 2.901 -14.589 -2.348 123 1HG1 VAL 17 HG21 VAL 17 2.037 -11.874 -2.818 124 2HG1 VAL 17 HG22 VAL 17 3.547 -12.472 -2.127 125 3HG1 VAL 17 HG23 VAL 17 2.142 -12.221 -1.090 126 1HG2 VAL 17 HG11 VAL 17 0.874 -13.629 -0.562 127 2HG2 VAL 17 HG12 VAL 17 1.606 -15.230 -0.664 128 3HG2 VAL 17 HG13 VAL 17 0.198 -14.840 -1.651 129 H ASP 18 HN ASP 18 0.634 -13.265 -6.008 130 HA ASP 18 HA ASP 18 3.256 -13.033 -7.158 131 1HB ASP 18 HB1 ASP 18 0.512 -12.183 -8.097 132 2HB ASP 18 HB2 ASP 18 1.977 -11.878 -9.029 133 H LEU 19 HN LEU 19 4.442 -11.591 -5.933 134 HA LEU 19 HA LEU 19 3.457 -9.130 -4.969 135 1HB LEU 19 HB2 LEU 19 5.528 -8.797 -4.077 136 2HB LEU 19 HB1 LEU 19 5.591 -10.531 -4.322 137 HG LEU 19 HG LEU 19 6.605 -9.573 -6.691 138 1HD1 LEU 19 HD11 LEU 19 7.995 -7.761 -6.352 139 2HD1 LEU 19 HD12 LEU 19 7.972 -7.937 -4.598 140 3HD1 LEU 19 HD13 LEU 19 6.560 -7.299 -5.440 141 1HD2 LEU 19 HD21 LEU 19 8.187 -10.235 -4.213 142 2HD2 LEU 19 HD22 LEU 19 8.720 -10.382 -5.888 143 3HD2 LEU 19 HD23 LEU 19 7.439 -11.428 -5.275 144 H GLU 20 HN GLU 20 5.316 -9.960 -7.873 145 HA GLU 20 HA GLU 20 5.652 -7.305 -8.746 146 1HB GLU 20 HB1 GLU 20 7.052 -9.080 -9.616 147 2HB GLU 20 HB2 GLU 20 5.653 -9.904 -10.292 148 1HG GLU 20 HG2 GLU 20 5.310 -7.779 -11.678 149 2HG GLU 20 HG1 GLU 20 6.961 -7.371 -11.209 150 H ALA 21 HN ALA 21 3.154 -9.717 -9.335 151 HA ALA 21 HA ALA 21 1.745 -8.119 -11.246 152 1HB ALA 21 HB1 ALA 21 1.597 -10.755 -10.412 153 2HB ALA 21 HB2 ALA 21 0.522 -9.957 -11.560 154 3HB ALA 21 HB3 ALA 21 0.085 -10.041 -9.852 155 H LEU 22 HN LEU 22 1.667 -8.563 -7.788 156 HA LEU 22 HA LEU 22 -0.748 -7.108 -7.310 157 1HB LEU 22 HB2 LEU 22 1.048 -8.630 -5.791 158 2HB LEU 22 HB1 LEU 22 1.157 -7.013 -5.130 159 HG LEU 22 HG LEU 22 -1.357 -8.664 -5.392 160 1HD1 LEU 22 HD11 LEU 22 -1.303 -8.709 -2.962 161 2HD1 LEU 22 HD12 LEU 22 0.202 -7.790 -2.966 162 3HD1 LEU 22 HD13 LEU 22 0.164 -9.421 -3.634 163 1HD2 LEU 22 HD21 LEU 22 -2.460 -6.866 -4.180 164 2HD2 LEU 22 HD22 LEU 22 -1.806 -6.279 -5.714 165 3HD2 LEU 22 HD23 LEU 22 -0.969 -5.922 -4.201 166 H LYS 23 HN LYS 23 2.570 -6.343 -7.816 167 HA LYS 23 HA LYS 23 2.726 -3.789 -6.690 168 1HB LYS 23 HB2 LYS 23 4.274 -5.434 -8.506 169 2HB LYS 23 HB1 LYS 23 4.319 -3.743 -8.980 170 1HG LYS 23 HG1 LYS 23 4.738 -3.552 -6.304 171 2HG LYS 23 HG2 LYS 23 5.511 -5.095 -6.668 172 1HD LYS 23 HD2 LYS 23 6.204 -3.193 -8.680 173 2HD LYS 23 HD1 LYS 23 6.528 -2.501 -7.090 174 1HE LYS 23 HE1 LYS 23 8.410 -3.678 -7.032 175 2HE LYS 23 HE2 LYS 23 7.430 -5.140 -6.948 176 1HZ LYS 23 HZ1 LYS 23 9.029 -5.232 -8.761 177 2HZ LYS 23 HZ2 LYS 23 8.361 -3.839 -9.450 178 3HZ LYS 23 HZ3 LYS 23 7.445 -5.258 -9.354 179 H LYS 24 HN LYS 24 1.692 -4.897 -9.870 180 HA LYS 24 HA LYS 24 1.252 -2.327 -10.977 181 1HB LYS 24 HB1 LYS 24 -0.399 -4.646 -11.865 182 2HB LYS 24 HB2 LYS 24 0.430 -3.427 -12.825 183 1HG LYS 24 HG2 LYS 24 2.546 -4.690 -11.743 184 2HG LYS 24 HG1 LYS 24 1.387 -6.020 -11.815 185 1HD LYS 24 HD1 LYS 24 1.271 -4.557 -14.262 186 2HD LYS 24 HD2 LYS 24 2.955 -4.950 -13.909 187 1HE LYS 24 HE2 LYS 24 1.369 -7.234 -13.330 188 2HE LYS 24 HE1 LYS 24 0.919 -6.642 -14.929 189 1HZ LYS 24 HZ1 LYS 24 3.728 -7.103 -14.102 190 2HZ LYS 24 HZ2 LYS 24 3.146 -6.817 -15.664 191 3HZ LYS 24 HZ3 LYS 24 2.791 -8.274 -14.883 192 H GLU 25 HN GLU 25 -0.835 -4.645 -9.285 193 HA GLU 25 HA GLU 25 -3.227 -3.137 -9.568 194 1HB GLU 25 HB1 GLU 25 -2.397 -5.269 -7.596 195 2HB GLU 25 HB2 GLU 25 -4.003 -4.554 -7.619 196 1HG GLU 25 HG2 GLU 25 -3.157 -5.510 -10.230 197 2HG GLU 25 HG1 GLU 25 -3.195 -6.780 -9.007 198 H ILE 26 HN ILE 26 -0.555 -3.072 -7.374 199 HA ILE 26 HA ILE 26 -1.692 -1.640 -5.251 200 HB ILE 26 HB ILE 26 1.029 -2.261 -6.186 201 1HG1 ILE 26 HG12 ILE 26 0.358 -1.978 -3.317 202 2HG1 ILE 26 HG11 ILE 26 -0.600 -3.152 -4.214 203 1HG2 ILE 26 HG21 ILE 26 1.886 -0.592 -4.360 204 2HG2 ILE 26 HG22 ILE 26 0.416 0.292 -4.777 205 3HG2 ILE 26 HG23 ILE 26 1.622 -0.051 -6.019 206 1HD1 ILE 26 HD11 ILE 26 1.283 -4.438 -4.751 207 2HD1 ILE 26 HD12 ILE 26 1.476 -4.007 -3.052 208 3HD1 ILE 26 HD13 ILE 26 2.395 -3.150 -4.289 209 H GLN 27 HN GLN 27 -0.015 -0.528 -8.178 210 HA GLN 27 HA GLN 27 -0.088 2.220 -7.510 211 1HB GLN 27 HB1 GLN 27 0.009 1.071 -10.297 212 2HB GLN 27 HB2 GLN 27 0.610 2.634 -9.759 213 1HG GLN 27 HG2 GLN 27 1.711 -0.037 -8.909 214 2HG GLN 27 HG1 GLN 27 2.405 1.011 -10.143 215 1HE2 GLN 27 HE21 GLN 27 4.109 2.049 -9.455 216 2HE2 GLN 27 HE22 GLN 27 4.355 2.674 -7.864 217 H GLU 28 HN GLU 28 -2.338 0.085 -9.148 218 HA GLU 28 HA GLU 28 -4.025 2.233 -10.060 219 1HB GLU 28 HB2 GLU 28 -5.425 0.572 -10.970 220 2HB GLU 28 HB1 GLU 28 -3.793 -0.051 -11.151 221 1HG GLU 28 HG1 GLU 28 -4.075 -1.539 -9.314 222 2HG GLU 28 HG2 GLU 28 -5.630 -0.817 -8.903 223 H ARG 29 HN ARG 29 -3.638 0.447 -7.164 224 HA ARG 29 HA ARG 29 -6.318 1.060 -6.208 225 1HB ARG 29 HB2 ARG 29 -5.951 -0.436 -4.501 226 2HB ARG 29 HB1 ARG 29 -4.953 -1.117 -5.773 227 1HG ARG 29 HG1 ARG 29 -2.970 -0.389 -4.762 228 2HG ARG 29 HG2 ARG 29 -3.825 0.733 -3.695 229 1HD ARG 29 HD2 ARG 29 -3.091 -1.267 -2.481 230 2HD ARG 29 HD1 ARG 29 -4.846 -1.153 -2.528 231 HE ARG 29 HE ARG 29 -4.102 -2.716 -4.681 232 1HH1 ARG 29 HH22 ARG 29 -3.799 -2.836 -1.215 233 2HH1 ARG 29 HH21 ARG 29 -3.797 -4.566 -1.145 234 1HH2 ARG 29 HH11 ARG 29 -4.100 -4.994 -4.600 235 2HH2 ARG 29 HH12 ARG 29 -3.968 -5.792 -3.068 236 H ILE 30 HN ILE 30 -3.277 2.512 -6.275 237 HA ILE 30 HA ILE 30 -3.157 3.816 -3.793 238 HB ILE 30 HB ILE 30 -2.096 4.584 -6.505 239 1HG1 ILE 30 HG11 ILE 30 -1.150 2.612 -5.228 240 2HG1 ILE 30 HG12 ILE 30 0.013 3.855 -5.672 241 1HG2 ILE 30 HG21 ILE 30 -0.766 6.020 -4.426 242 2HG2 ILE 30 HG22 ILE 30 -2.500 6.349 -4.339 243 3HG2 ILE 30 HG23 ILE 30 -1.620 6.644 -5.839 244 1HD1 ILE 30 HD11 ILE 30 -0.136 2.761 -3.237 245 2HD1 ILE 30 HD12 ILE 30 -1.218 4.135 -3.012 246 3HD1 ILE 30 HD13 ILE 30 0.446 4.399 -3.534 247 HA PRO 31 HA PRO 31 -6.567 6.672 -3.815 248 1HB PRO 31 HB2 PRO 31 -5.186 8.790 -2.615 249 2HB PRO 31 HB1 PRO 31 -6.077 7.523 -1.773 250 1HG PRO 31 HG2 PRO 31 -3.154 7.742 -2.324 251 2HG PRO 31 HG1 PRO 31 -3.985 7.118 -0.886 252 1HD PRO 31 HD1 PRO 31 -2.892 5.452 -2.655 253 2HD PRO 31 HD2 PRO 31 -4.454 5.076 -1.896 254 H GLU 32 HN GLU 32 -7.192 7.646 -5.626 255 HA GLU 32 HA GLU 32 -5.522 8.691 -7.592 256 1HB GLU 32 HB1 GLU 32 -7.409 8.758 -8.766 257 2HB GLU 32 HB2 GLU 32 -8.150 8.008 -7.360 258 1HG GLU 32 HG2 GLU 32 -7.942 10.963 -7.655 259 2HG GLU 32 HG1 GLU 32 -9.270 10.040 -8.345 260 H GLY 33 HN GLY 33 -6.041 10.017 -4.616 261 1HA GLY 33 HA1 GLY 33 -6.289 12.772 -5.402 262 2HA GLY 33 HA2 GLY 33 -6.010 12.172 -3.776 263 H THR 34 HN THR 34 -3.626 10.709 -4.298 264 HA THR 34 HA THR 34 -1.780 12.833 -5.147 265 HB THR 34 HB THR 34 -0.862 11.111 -2.929 266 HG1 THR 34 HG1 THR 34 -2.088 12.940 -1.640 267 1HG2 THR 34 HG21 THR 34 -0.648 13.844 -2.322 268 2HG2 THR 34 HG22 THR 34 -0.223 13.657 -4.023 269 3HG2 THR 34 HG23 THR 34 0.631 12.725 -2.794 270 H GLU 35 HN GLU 35 0.467 11.067 -4.234 271 HA GLU 35 HA GLU 35 0.304 8.968 -6.288 272 1HB GLU 35 HB1 GLU 35 2.424 11.068 -5.923 273 2HB GLU 35 HB2 GLU 35 2.802 9.529 -6.682 274 1HG GLU 35 HG1 GLU 35 0.718 10.123 -8.168 275 2HG GLU 35 HG2 GLU 35 1.114 11.766 -7.664 276 H LEU 36 HN LEU 36 2.190 7.418 -6.079 277 HA LEU 36 HA LEU 36 2.187 6.398 -3.413 278 1HB LEU 36 HB1 LEU 36 3.746 4.666 -4.411 279 2HB LEU 36 HB2 LEU 36 2.149 4.782 -5.122 280 HG LEU 36 HG LEU 36 3.945 6.499 -6.557 281 1HD1 LEU 36 HD11 LEU 36 5.217 4.183 -5.541 282 2HD1 LEU 36 HD12 LEU 36 5.838 5.358 -6.702 283 3HD1 LEU 36 HD13 LEU 36 4.954 3.940 -7.269 284 1HD2 LEU 36 HD21 LEU 36 2.788 5.699 -8.301 285 2HD2 LEU 36 HD22 LEU 36 1.753 4.969 -7.073 286 3HD2 LEU 36 HD23 LEU 36 3.035 4.019 -7.824 287 H HIS 37 HN HIS 37 4.531 5.406 -2.773 288 HA HIS 37 HA HIS 37 6.471 7.618 -2.798 289 1HB HIS 37 HB1 HIS 37 5.260 7.632 -0.665 290 2HB HIS 37 HB2 HIS 37 5.654 5.942 -0.418 291 HD2 HIS 37 HD2 HIS 37 8.015 5.436 0.789 292 HE1 HIS 37 HE1 HIS 37 9.454 9.416 0.726 293 HE2 HIS 37 HE2 HIS 37 9.877 7.063 1.573 294 H LYS 38 HN LYS 38 6.423 4.493 -1.190 295 HA LYS 38 HA LYS 38 8.227 3.232 -3.015 296 1HB LYS 38 HB2 LYS 38 10.128 4.040 -2.145 297 2HB LYS 38 HB1 LYS 38 9.279 4.786 -0.805 298 1HG LYS 38 HG2 LYS 38 10.733 3.346 0.252 299 2HG LYS 38 HG1 LYS 38 9.240 2.408 0.199 300 1HD LYS 38 HD1 LYS 38 10.026 1.022 -1.496 301 2HD LYS 38 HD2 LYS 38 11.271 2.172 -1.992 302 1HE LYS 38 HE1 LYS 38 12.430 1.764 0.166 303 2HE LYS 38 HE2 LYS 38 11.231 0.524 0.534 304 1HZ LYS 38 HZ1 LYS 38 13.543 0.361 -1.121 305 2HZ LYS 38 HZ2 LYS 38 12.155 -0.112 -1.965 306 3HZ LYS 38 HZ3 LYS 38 12.567 -0.881 -0.516 307 H ILE 39 HN ILE 39 7.945 1.089 -2.886 308 HA ILE 39 HA ILE 39 6.232 0.088 -0.758 309 HB ILE 39 HB ILE 39 7.130 -1.493 -3.142 310 1HG1 ILE 39 HG12 ILE 39 5.060 0.692 -2.964 311 2HG1 ILE 39 HG11 ILE 39 6.311 0.464 -4.181 312 1HG2 ILE 39 HG21 ILE 39 5.996 -2.760 -1.462 313 2HG2 ILE 39 HG22 ILE 39 4.875 -2.517 -2.802 314 3HG2 ILE 39 HG23 ILE 39 4.719 -1.548 -1.336 315 1HD1 ILE 39 HD11 ILE 39 4.661 -0.329 -5.443 316 2HD1 ILE 39 HD12 ILE 39 3.599 -0.585 -4.058 317 3HD1 ILE 39 HD13 ILE 39 4.813 -1.795 -4.476 318 H ASP 40 HN ASP 40 6.609 -2.045 0.179 319 HA ASP 40 HA ASP 40 9.473 -2.685 0.481 320 1HB ASP 40 HB1 ASP 40 7.912 -1.553 2.429 321 2HB ASP 40 HB2 ASP 40 7.741 -3.268 2.786 322 H GLU 41 HN GLU 41 9.931 -4.723 -0.070 323 HA GLU 41 HA GLU 41 7.797 -6.662 -0.374 324 1HB GLU 41 HB1 GLU 41 10.753 -7.122 -0.791 325 2HB GLU 41 HB2 GLU 41 9.416 -8.049 -1.458 326 1HG GLU 41 HG1 GLU 41 8.787 -6.228 -2.885 327 2HG GLU 41 HG2 GLU 41 9.983 -5.173 -2.130 328 H GLU 42 HN GLU 42 7.328 -6.648 1.967 329 HA GLU 42 HA GLU 42 9.254 -8.157 3.587 330 1HB GLU 42 HB1 GLU 42 7.326 -6.060 4.146 331 2HB GLU 42 HB2 GLU 42 7.104 -7.438 5.216 332 1HG GLU 42 HG2 GLU 42 9.802 -7.135 5.281 333 2HG GLU 42 HG1 GLU 42 9.257 -5.463 5.100 334 HA PRO 43 HA PRO 43 6.530 -11.646 3.198 335 1HB PRO 43 HB1 PRO 43 7.952 -13.395 4.674 336 2HB PRO 43 HB2 PRO 43 8.465 -12.864 3.070 337 1HG PRO 43 HG2 PRO 43 9.526 -12.134 5.733 338 2HG PRO 43 HG1 PRO 43 10.343 -12.154 4.162 339 1HD PRO 43 HD1 PRO 43 9.294 -9.896 5.531 340 2HD PRO 43 HD2 PRO 43 9.962 -9.940 3.892 341 H ILE 44 HN ILE 44 5.091 -12.919 4.384 342 HA ILE 44 HA ILE 44 4.658 -12.042 7.163 343 HB ILE 44 HB ILE 44 2.365 -12.862 5.438 344 1HG1 ILE 44 HG12 ILE 44 3.616 -11.186 4.117 345 2HG1 ILE 44 HG11 ILE 44 2.060 -10.566 4.658 346 1HG2 ILE 44 HG21 ILE 44 2.708 -11.913 8.060 347 2HG2 ILE 44 HG22 ILE 44 1.195 -12.222 7.211 348 3HG2 ILE 44 HG23 ILE 44 1.921 -10.617 7.160 349 1HD1 ILE 44 HD11 ILE 44 4.788 -9.696 5.324 350 2HD1 ILE 44 HD12 ILE 44 3.642 -9.716 6.666 351 3HD1 ILE 44 HD13 ILE 44 3.288 -8.772 5.220 352 H ALA 45 HN ALA 45 2.848 -14.391 5.263 353 HA ALA 45 HA ALA 45 2.854 -16.307 7.351 354 1HB ALA 45 HB1 ALA 45 1.377 -17.478 6.081 355 2HB ALA 45 HB2 ALA 45 2.246 -17.164 4.579 356 3HB ALA 45 HB3 ALA 45 1.235 -15.907 5.291 357 H PHE 46 HN PHE 46 3.206 -18.639 5.538 358 HA PHE 46 HA PHE 46 5.937 -19.163 6.122 359 1HB PHE 46 HB2 PHE 46 5.518 -21.281 4.821 360 2HB PHE 46 HB1 PHE 46 4.397 -20.998 6.148 361 HD1 PHE 46 HD1 PHE 46 2.076 -20.482 5.737 362 HD2 PHE 46 HD2 PHE 46 4.780 -21.157 2.521 363 HE1 PHE 46 HE1 PHE 46 0.174 -20.729 4.196 364 HE2 PHE 46 HE2 PHE 46 2.883 -21.404 0.973 365 HZ PHE 46 HZ PHE 46 0.577 -21.190 1.812 366 H GLY 47 HN GLY 47 4.184 -18.172 3.264 367 1HA GLY 47 HA1 GLY 47 6.714 -17.486 1.984 368 2HA GLY 47 HA2 GLY 47 5.695 -18.639 1.134 369 H LEU 48 HN LEU 48 3.810 -16.480 2.880 370 HA LEU 48 HA LEU 48 3.088 -15.082 0.428 371 1HB LEU 48 HB2 LEU 48 1.720 -14.714 3.071 372 2HB LEU 48 HB1 LEU 48 1.065 -14.512 1.458 373 HG LEU 48 HG LEU 48 1.528 -17.052 2.989 374 1HD1 LEU 48 HD11 LEU 48 -0.676 -16.987 3.209 375 2HD1 LEU 48 HD12 LEU 48 -0.871 -16.950 1.455 376 3HD1 LEU 48 HD13 LEU 48 -0.709 -15.443 2.358 377 1HD2 LEU 48 HD21 LEU 48 2.525 -17.606 0.925 378 2HD2 LEU 48 HD22 LEU 48 1.293 -16.736 0.011 379 3HD2 LEU 48 HD23 LEU 48 0.877 -18.230 0.850 380 H VAL 49 HN VAL 49 4.472 -13.458 0.034 381 HA VAL 49 HA VAL 49 5.351 -11.729 2.193 382 HB VAL 49 HB VAL 49 6.105 -11.801 -0.730 383 1HG1 VAL 49 HG21 VAL 49 7.635 -10.281 1.339 384 2HG1 VAL 49 HG22 VAL 49 6.240 -9.540 0.555 385 3HG1 VAL 49 HG23 VAL 49 7.613 -10.080 -0.412 386 1HG2 VAL 49 HG11 VAL 49 6.940 -13.326 1.527 387 2HG2 VAL 49 HG12 VAL 49 8.286 -12.322 0.987 388 3HG2 VAL 49 HG13 VAL 49 7.499 -13.423 -0.144 389 H ALA 50 HN ALA 50 4.531 -9.808 2.637 390 HA ALA 50 HA ALA 50 2.513 -8.660 0.879 391 1HB ALA 50 HB1 ALA 50 2.090 -8.936 3.323 392 2HB ALA 50 HB2 ALA 50 1.888 -7.285 2.737 393 3HB ALA 50 HB3 ALA 50 3.346 -7.735 3.624 394 H LEU 51 HN LEU 51 2.503 -6.339 0.496 395 HA LEU 51 HA LEU 51 5.218 -5.220 0.265 396 1HB LEU 51 HB2 LEU 51 2.924 -5.295 -1.654 397 2HB LEU 51 HB1 LEU 51 4.009 -3.921 -1.694 398 HG LEU 51 HG LEU 51 5.909 -5.480 -2.069 399 1HD1 LEU 51 HD11 LEU 51 5.436 -7.792 -2.699 400 2HD1 LEU 51 HD12 LEU 51 3.732 -7.552 -2.307 401 3HD1 LEU 51 HD13 LEU 51 4.950 -7.464 -1.035 402 1HD2 LEU 51 HD21 LEU 51 4.093 -6.219 -4.246 403 2HD2 LEU 51 HD22 LEU 51 5.616 -5.333 -4.287 404 3HD2 LEU 51 HD23 LEU 51 4.121 -4.498 -3.864 405 H ASN 52 HN ASN 52 5.501 -3.472 1.463 406 HA ASN 52 HA ASN 52 3.190 -2.039 2.504 407 1HB ASN 52 HB1 ASN 52 6.070 -1.388 3.120 408 2HB ASN 52 HB2 ASN 52 4.643 -1.125 4.120 409 1HD2 ASN 52 HD22 ASN 52 3.547 -3.755 3.666 410 2HD2 ASN 52 HD21 ASN 52 4.521 -4.861 4.568 411 H VAL 53 HN VAL 53 2.453 -0.943 0.752 412 HA VAL 53 HA VAL 53 4.202 0.755 -0.789 413 HB VAL 53 HB VAL 53 1.201 0.655 -0.977 414 1HG1 VAL 53 HG21 VAL 53 3.133 1.033 -3.230 415 2HG1 VAL 53 HG22 VAL 53 2.704 2.386 -2.184 416 3HG1 VAL 53 HG23 VAL 53 1.451 1.548 -3.102 417 1HG2 VAL 53 HG11 VAL 53 1.281 -1.465 -1.613 418 2HG2 VAL 53 HG12 VAL 53 3.033 -1.492 -1.414 419 3HG2 VAL 53 HG13 VAL 53 2.328 -1.000 -2.954 420 H MET 54 HN MET 54 4.863 2.534 0.237 421 HA MET 54 HA MET 54 3.050 4.095 1.876 422 1HB MET 54 HB1 MET 54 5.935 4.563 1.087 423 2HB MET 54 HB2 MET 54 5.031 5.559 2.220 424 1HG MET 54 HG1 MET 54 4.966 3.881 3.831 425 2HG MET 54 HG2 MET 54 5.353 2.618 2.665 426 1HE MET 54 HE1 MET 54 7.129 2.092 5.042 427 2HE MET 54 HE2 MET 54 8.681 2.033 4.207 428 3HE MET 54 HE3 MET 54 7.234 1.407 3.420 429 H VAL 55 HN VAL 55 2.908 6.482 1.507 430 HA VAL 55 HA VAL 55 3.013 7.207 -1.329 431 HB VAL 55 HB VAL 55 0.787 7.958 -1.441 432 1HG1 VAL 55 HG11 VAL 55 -0.542 5.976 -0.955 433 2HG1 VAL 55 HG12 VAL 55 0.742 5.365 0.088 434 3HG1 VAL 55 HG13 VAL 55 1.019 5.537 -1.646 435 1HG2 VAL 55 HG21 VAL 55 0.678 7.569 1.540 436 2HG2 VAL 55 HG22 VAL 55 -0.752 7.841 0.542 437 3HG2 VAL 55 HG23 VAL 55 0.505 9.075 0.637 438 H VAL 56 HN VAL 56 3.563 9.293 -1.723 439 HA VAL 56 HA VAL 56 4.193 10.938 0.620 440 HB VAL 56 HB VAL 56 4.965 12.094 -1.931 441 1HG1 VAL 56 HG11 VAL 56 6.564 12.907 -0.624 442 2HG1 VAL 56 HG12 VAL 56 7.127 11.286 -0.211 443 3HG1 VAL 56 HG13 VAL 56 5.832 12.036 0.723 444 1HG2 VAL 56 HG21 VAL 56 5.349 10.076 -2.932 445 2HG2 VAL 56 HG22 VAL 56 5.636 9.247 -1.402 446 3HG2 VAL 56 HG23 VAL 56 6.881 10.292 -2.085 447 H VAL 57 HN VAL 57 2.734 12.380 1.247 448 HA VAL 57 HA VAL 57 1.288 13.895 -0.816 449 HB VAL 57 HB VAL 57 -0.765 13.837 0.344 450 1HG1 VAL 57 HG21 VAL 57 0.496 11.450 -0.491 451 2HG1 VAL 57 HG22 VAL 57 -1.228 11.825 -0.462 452 3HG1 VAL 57 HG23 VAL 57 -0.467 11.067 0.937 453 1HG2 VAL 57 HG11 VAL 57 0.770 13.608 2.643 454 2HG2 VAL 57 HG12 VAL 57 -0.138 12.098 2.568 455 3HG2 VAL 57 HG13 VAL 57 -0.991 13.641 2.549 456 H GLY 58 HN GLY 58 0.812 16.057 -0.298 457 1HA GLY 58 HA2 GLY 58 1.468 17.201 2.236 458 2HA GLY 58 HA1 GLY 58 2.739 17.487 1.057 459 H ASP 59 HN ASP 59 1.874 18.332 -1.115 460 HA ASP 59 HA ASP 59 0.344 20.706 -0.538 461 1HB ASP 59 HB1 ASP 59 1.767 19.666 -2.979 462 2HB ASP 59 HB2 ASP 59 0.728 21.086 -3.063 463 H ALA 60 HN ALA 60 -0.417 17.588 -1.337 464 HA ALA 60 HA ALA 60 -2.533 17.941 -3.191 465 1HB ALA 60 HB1 ALA 60 -2.394 15.694 -1.213 466 2HB ALA 60 HB2 ALA 60 -1.262 15.801 -2.560 467 3HB ALA 60 HB3 ALA 60 -2.995 15.679 -2.871 468 H GLU 61 HN GLU 61 -4.451 16.296 -1.588 469 HA GLU 61 HA GLU 61 -5.366 18.158 0.454 470 1HB GLU 61 HB1 GLU 61 -7.729 17.756 -0.795 471 2HB GLU 61 HB2 GLU 61 -6.719 19.172 -1.056 472 1HG GLU 61 HG1 GLU 61 -5.901 18.356 -3.086 473 2HG GLU 61 HG2 GLU 61 -6.435 16.712 -2.741 474 H GLY 62 HN GLY 62 -7.911 17.130 0.814 475 1HA GLY 62 HA1 GLY 62 -7.279 14.603 2.076 476 2HA GLY 62 HA2 GLY 62 -8.802 15.477 2.186 477 H GLY 63 HN GLY 63 -7.647 15.134 -0.978 478 1HA GLY 63 HA2 GLY 63 -9.866 13.532 -1.764 479 2HA GLY 63 HA1 GLY 63 -8.526 14.020 -2.789 480 H THR 64 HN THR 64 -7.079 12.630 -0.229 481 HA THR 64 HA THR 64 -6.485 10.229 -1.669 482 HB THR 64 HB THR 64 -4.887 9.787 -0.023 483 HG1 THR 64 HG1 THR 64 -5.709 9.768 1.914 484 1HG2 THR 64 HG21 THR 64 -5.277 12.761 -0.080 485 2HG2 THR 64 HG22 THR 64 -4.165 11.785 -1.042 486 3HG2 THR 64 HG23 THR 64 -3.900 11.974 0.691 487 H GLU 65 HN GLU 65 -9.086 11.116 0.100 488 HA GLU 65 HA GLU 65 -9.687 8.964 1.777 489 1HB GLU 65 HB2 GLU 65 -12.066 9.598 1.347 490 2HB GLU 65 HB1 GLU 65 -11.043 10.949 1.806 491 1HG GLU 65 HG2 GLU 65 -11.614 12.040 -0.023 492 2HG GLU 65 HG1 GLU 65 -11.020 10.718 -1.026 493 H ALA 66 HN ALA 66 -9.619 9.267 -1.631 494 HA ALA 66 HA ALA 66 -11.361 7.283 -2.474 495 1HB ALA 66 HB1 ALA 66 -9.544 8.955 -3.693 496 2HB ALA 66 HB2 ALA 66 -10.559 7.758 -4.502 497 3HB ALA 66 HB3 ALA 66 -8.907 7.345 -4.037 498 H ALA 67 HN ALA 67 -8.235 6.992 -0.985 499 HA ALA 67 HA ALA 67 -7.515 4.431 -1.802 500 1HB ALA 67 HB1 ALA 67 -6.029 4.382 0.060 501 2HB ALA 67 HB2 ALA 67 -6.988 5.579 0.933 502 3HB ALA 67 HB3 ALA 67 -6.095 6.050 -0.515 503 H GLU 68 HN GLU 68 -9.448 5.442 1.009 504 HA GLU 68 HA GLU 68 -9.968 2.865 2.011 505 1HB GLU 68 HB2 GLU 68 -10.890 4.060 3.633 506 2HB GLU 68 HB1 GLU 68 -10.473 5.493 2.694 507 1HG GLU 68 HG1 GLU 68 -12.554 5.964 2.444 508 2HG GLU 68 HG2 GLU 68 -12.797 4.451 1.603 509 H GLU 69 HN GLU 69 -11.558 5.028 -0.199 510 HA GLU 69 HA GLU 69 -13.917 3.614 -0.658 511 1HB GLU 69 HB1 GLU 69 -12.817 5.910 -1.660 512 2HB GLU 69 HB2 GLU 69 -12.738 4.848 -3.059 513 1HG GLU 69 HG1 GLU 69 -15.266 5.205 -1.487 514 2HG GLU 69 HG2 GLU 69 -14.808 6.305 -2.787 515 H SER 70 HN SER 70 -10.765 3.340 -2.234 516 HA SER 70 HA SER 70 -11.533 1.231 -3.997 517 1HB SER 70 HB2 SER 70 -9.295 1.195 -4.689 518 2HB SER 70 HB1 SER 70 -9.509 2.870 -4.174 519 HG SER 70 HG SER 70 -7.615 1.478 -3.380 520 H LEU 71 HN LEU 71 -10.553 1.472 -0.709 521 HA LEU 71 HA LEU 71 -9.671 -1.221 -0.378 522 1HB LEU 71 HB2 LEU 71 -9.875 1.145 1.209 523 2HB LEU 71 HB1 LEU 71 -10.611 -0.180 2.085 524 HG LEU 71 HG LEU 71 -8.254 0.109 2.683 525 1HD1 LEU 71 HD11 LEU 71 -7.507 -2.226 2.223 526 2HD1 LEU 71 HD12 LEU 71 -8.920 -2.414 1.185 527 3HD1 LEU 71 HD13 LEU 71 -9.127 -2.097 2.907 528 1HD2 LEU 71 HD21 LEU 71 -7.388 1.033 0.634 529 2HD2 LEU 71 HD22 LEU 71 -7.741 -0.464 -0.230 530 3HD2 LEU 71 HD23 LEU 71 -6.505 -0.443 1.027 531 H SER 72 HN SER 72 -12.736 0.434 -0.212 532 HA SER 72 HA SER 72 -14.212 -1.526 1.181 533 1HB SER 72 HB2 SER 72 -16.018 -0.196 0.774 534 2HB SER 72 HB1 SER 72 -14.782 0.960 0.276 535 HG SER 72 HG SER 72 -16.735 0.034 -1.182 536 H GLY 73 HN GLY 73 -12.757 -1.638 -1.836 537 1HA GLY 73 HA2 GLY 73 -14.075 -4.164 -2.447 538 2HA GLY 73 HA1 GLY 73 -14.223 -2.901 -3.661 539 H ILE 74 HN ILE 74 -11.422 -3.120 -1.680 540 HA ILE 74 HA ILE 74 -9.670 -3.305 -3.914 541 HB ILE 74 HB ILE 74 -9.366 -2.187 -1.564 542 1HG1 ILE 74 HG11 ILE 74 -6.752 -3.094 -1.998 543 2HG1 ILE 74 HG12 ILE 74 -7.530 -3.148 -3.577 544 1HG2 ILE 74 HG21 ILE 74 -8.325 -3.403 0.114 545 2HG2 ILE 74 HG22 ILE 74 -7.903 -4.727 -0.970 546 3HG2 ILE 74 HG23 ILE 74 -9.578 -4.498 -0.469 547 1HD1 ILE 74 HD11 ILE 74 -6.374 -0.952 -2.439 548 2HD1 ILE 74 HD12 ILE 74 -8.088 -0.700 -2.107 549 3HD1 ILE 74 HD13 ILE 74 -7.536 -0.932 -3.765 550 H GLU 75 HN GLU 75 -7.611 -4.923 -3.069 551 HA GLU 75 HA GLU 75 -8.168 -7.409 -4.088 552 1HB GLU 75 HB2 GLU 75 -5.982 -6.077 -2.774 553 2HB GLU 75 HB1 GLU 75 -6.117 -7.723 -2.159 554 1HG GLU 75 HG2 GLU 75 -4.648 -7.880 -3.956 555 2HG GLU 75 HG1 GLU 75 -6.193 -8.457 -4.582 556 H GLY 76 HN GLY 76 -10.051 -8.309 -3.269 557 1HA GLY 76 HA1 GLY 76 -10.709 -8.591 -0.560 558 2HA GLY 76 HA2 GLY 76 -11.342 -9.582 -1.866 559 H VAL 77 HN VAL 77 -8.561 -10.426 -2.571 560 HA VAL 77 HA VAL 77 -8.410 -12.635 -0.688 561 HB VAL 77 HB VAL 77 -8.191 -12.807 -3.259 562 1HG1 VAL 77 HG11 VAL 77 -5.988 -12.592 -4.182 563 2HG1 VAL 77 HG12 VAL 77 -5.332 -12.124 -2.614 564 3HG1 VAL 77 HG13 VAL 77 -6.454 -11.054 -3.454 565 1HG2 VAL 77 HG21 VAL 77 -7.901 -14.722 -1.866 566 2HG2 VAL 77 HG22 VAL 77 -6.309 -14.170 -1.341 567 3HG2 VAL 77 HG23 VAL 77 -6.557 -14.696 -3.007 568 H SER 78 HN SER 78 -6.522 -9.894 -1.768 569 HA SER 78 HA SER 78 -4.428 -10.478 0.167 570 1HB SER 78 HB2 SER 78 -4.476 -8.101 -1.680 571 2HB SER 78 HB1 SER 78 -3.083 -8.947 -1.013 572 HG SER 78 HG SER 78 -4.867 -9.883 -3.007 573 H ASN 79 HN ASN 79 -5.450 -10.016 2.129 574 HA ASN 79 HA ASN 79 -6.751 -7.471 2.530 575 1HB ASN 79 HB2 ASN 79 -7.679 -9.036 3.956 576 2HB ASN 79 HB1 ASN 79 -6.134 -9.806 4.288 577 1HD2 ASN 79 HD21 ASN 79 -6.860 -6.304 4.538 578 2HD2 ASN 79 HD22 ASN 79 -6.604 -6.232 6.243 579 H ILE 80 HN ILE 80 -5.858 -5.676 3.127 580 HA ILE 80 HA ILE 80 -2.985 -5.656 3.534 581 HB ILE 80 HB ILE 80 -4.836 -3.332 3.075 582 1HG1 ILE 80 HG11 ILE 80 -3.618 -3.743 0.675 583 2HG1 ILE 80 HG12 ILE 80 -3.857 -5.400 1.223 584 1HG2 ILE 80 HG21 ILE 80 -2.122 -3.493 3.690 585 2HG2 ILE 80 HG22 ILE 80 -3.027 -2.075 3.164 586 3HG2 ILE 80 HG23 ILE 80 -2.208 -3.088 1.976 587 1HD1 ILE 80 HD11 ILE 80 -5.674 -4.251 -0.202 588 2HD1 ILE 80 HD12 ILE 80 -6.116 -3.455 1.309 589 3HD1 ILE 80 HD13 ILE 80 -6.153 -5.215 1.196 590 H GLU 81 HN GLU 81 -1.976 -4.473 5.136 591 HA GLU 81 HA GLU 81 -3.500 -4.050 7.583 592 1HB GLU 81 HB2 GLU 81 -1.228 -5.162 7.629 593 2HB GLU 81 HB1 GLU 81 -0.538 -3.633 7.100 594 1HG GLU 81 HG1 GLU 81 -0.517 -2.850 9.168 595 2HG GLU 81 HG2 GLU 81 -2.224 -3.235 9.393 596 H VAL 82 HN VAL 82 -4.704 -2.462 6.335 597 HA VAL 82 HA VAL 82 -3.398 -0.097 5.404 598 HB VAL 82 HB VAL 82 -6.345 -0.736 5.713 599 1HG1 VAL 82 HG21 VAL 82 -5.994 1.084 3.633 600 2HG1 VAL 82 HG22 VAL 82 -4.933 1.679 4.913 601 3HG1 VAL 82 HG23 VAL 82 -6.652 1.437 5.232 602 1HG2 VAL 82 HG11 VAL 82 -4.334 -1.326 3.621 603 2HG2 VAL 82 HG12 VAL 82 -5.957 -0.873 3.101 604 3HG2 VAL 82 HG13 VAL 82 -5.728 -2.266 4.161 605 H THR 83 HN THR 83 -2.638 -0.242 7.919 606 HA THR 83 HA THR 83 -4.089 1.950 9.208 607 HB THR 83 HB THR 83 -2.875 -0.231 10.877 608 HG1 THR 83 HG1 THR 83 -5.184 -0.364 9.378 609 1HG2 THR 83 HG21 THR 83 -4.476 2.125 11.363 610 2HG2 THR 83 HG22 THR 83 -3.541 1.135 12.483 611 3HG2 THR 83 HG23 THR 83 -5.189 0.670 12.060 612 H ASP 84 HN ASP 84 -1.333 1.162 7.740 613 HA ASP 84 HA ASP 84 0.521 2.092 9.771 614 1HB ASP 84 HB1 ASP 84 1.014 0.234 8.096 615 2HB ASP 84 HB2 ASP 84 1.163 1.504 6.888 616 H VAL 85 HN VAL 85 1.525 4.034 9.806 617 HA VAL 85 HA VAL 85 1.100 5.935 7.641 618 HB VAL 85 HB VAL 85 -0.807 6.078 9.358 619 1HG1 VAL 85 HG11 VAL 85 -0.462 6.916 11.448 620 2HG1 VAL 85 HG12 VAL 85 0.989 7.799 10.976 621 3HG1 VAL 85 HG13 VAL 85 1.063 6.056 11.232 622 1HG2 VAL 85 HG21 VAL 85 -0.807 8.563 9.237 623 2HG2 VAL 85 HG22 VAL 85 -0.490 7.772 7.693 624 3HG2 VAL 85 HG23 VAL 85 0.838 8.487 8.607 625 H ARG 86 HN ARG 86 2.356 7.925 7.924 626 HA ARG 86 HA ARG 86 4.513 7.862 9.867 627 1HB ARG 86 HB1 ARG 86 4.908 7.502 6.911 628 2HB ARG 86 HB2 ARG 86 6.146 8.286 7.885 629 1HG ARG 86 HG2 ARG 86 5.603 6.029 9.331 630 2HG ARG 86 HG1 ARG 86 5.436 5.475 7.664 631 1HD ARG 86 HD2 ARG 86 7.647 6.335 7.134 632 2HD ARG 86 HD1 ARG 86 7.814 6.960 8.774 633 HE ARG 86 HE ARG 86 7.853 4.133 7.987 634 1HH1 ARG 86 HH21 ARG 86 8.286 6.610 10.401 635 2HH1 ARG 86 HH22 ARG 86 9.083 5.557 11.522 636 1HH2 ARG 86 HH12 ARG 86 8.901 2.742 9.458 637 2HH2 ARG 86 HH11 ARG 86 9.432 3.359 10.986 638 H ARG 87 HN ARG 87 3.554 9.775 10.620 639 HA ARG 87 HA ARG 87 3.169 12.021 8.875 640 1HB ARG 87 HB1 ARG 87 2.935 11.570 11.831 641 2HB ARG 87 HB2 ARG 87 2.914 13.207 11.187 642 1HG ARG 87 HG2 ARG 87 1.121 11.576 9.675 643 2HG ARG 87 HG1 ARG 87 0.775 11.399 11.398 644 1HD ARG 87 HD2 ARG 87 1.197 14.114 11.079 645 2HD ARG 87 HD1 ARG 87 0.310 13.653 9.626 646 HE ARG 87 HE ARG 87 -0.644 13.447 12.387 647 1HH1 ARG 87 HH12 ARG 87 -1.224 13.103 8.967 648 2HH1 ARG 87 HH11 ARG 87 -2.943 12.992 9.139 649 1HH2 ARG 87 HH21 ARG 87 -2.907 13.303 12.622 650 2HH2 ARG 87 HH22 ARG 87 -3.901 13.107 11.217 651 H LEU 88 HN LEU 88 5.203 12.393 7.943 652 HA LEU 88 HA LEU 88 7.487 12.969 9.618 653 1HB LEU 88 HB1 LEU 88 6.966 12.948 6.674 654 2HB LEU 88 HB2 LEU 88 8.353 13.821 7.285 655 HG LEU 88 HG LEU 88 9.202 11.743 8.294 656 1HD1 LEU 88 HD21 LEU 88 7.197 10.526 8.718 657 2HD1 LEU 88 HD22 LEU 88 8.135 9.602 7.545 658 3HD1 LEU 88 HD23 LEU 88 6.747 10.553 7.013 659 1HD2 LEU 88 HD11 LEU 88 8.941 10.687 5.672 660 2HD2 LEU 88 HD12 LEU 88 10.301 11.565 6.376 661 3HD2 LEU 88 HD13 LEU 88 9.007 12.448 5.560 662 H MET 89 HN MET 89 6.562 14.698 10.871 663 HA MET 89 HA MET 89 5.912 17.159 9.475 664 1HB MET 89 HB1 MET 89 4.411 16.755 11.220 665 2HB MET 89 HB2 MET 89 5.671 16.177 12.301 666 1HG MET 89 HG1 MET 89 4.843 18.319 13.033 667 2HG MET 89 HG2 MET 89 6.526 18.442 12.522 668 1HE MET 89 HE1 MET 89 2.792 18.949 10.832 669 2HE MET 89 HE2 MET 89 3.877 17.856 9.969 670 3HE MET 89 HE3 MET 89 3.480 19.432 9.282 Start of MODEL 24 1 1H MET 1 HT1 MET 1 8.547 16.283 9.809 2 2H MET 1 HT2 MET 1 10.174 16.075 10.314 3 3H MET 1 HT3 MET 1 9.431 14.899 9.310 4 HA MET 1 HA MET 1 10.911 17.079 8.569 5 1HB MET 1 HB1 MET 1 10.878 14.925 7.474 6 2HB MET 1 HB2 MET 1 9.180 15.115 7.063 7 1HG MET 1 HG2 MET 1 10.301 15.579 5.084 8 2HG MET 1 HG1 MET 1 9.918 17.171 5.739 9 1HE MET 1 HE1 MET 1 12.402 17.078 3.468 10 2HE MET 1 HE2 MET 1 13.126 18.405 4.375 11 3HE MET 1 HE3 MET 1 11.372 18.279 4.245 12 H GLY 2 HN GLY 2 7.829 16.427 6.999 13 1HA GLY 2 HA1 GLY 2 6.396 18.707 7.670 14 2HA GLY 2 HA2 GLY 2 7.402 19.141 6.293 15 H ASP 3 HN ASP 3 7.139 16.119 5.652 16 HA ASP 3 HA ASP 3 4.751 16.429 3.983 17 1HB ASP 3 HB1 ASP 3 6.882 14.294 3.790 18 2HB ASP 3 HB2 ASP 3 5.638 14.669 2.601 19 H VAL 4 HN VAL 4 3.295 14.616 3.739 20 HA VAL 4 HA VAL 4 3.057 13.042 6.215 21 HB VAL 4 HB VAL 4 0.797 13.301 4.282 22 1HG1 VAL 4 HG21 VAL 4 1.235 12.511 7.073 23 2HG1 VAL 4 HG22 VAL 4 0.022 11.968 5.913 24 3HG1 VAL 4 HG23 VAL 4 -0.211 13.481 6.788 25 1HG2 VAL 4 HG11 VAL 4 0.076 15.303 5.735 26 2HG2 VAL 4 HG12 VAL 4 1.257 15.577 4.454 27 3HG2 VAL 4 HG13 VAL 4 1.791 15.440 6.129 28 H VAL 5 HN VAL 5 3.828 11.027 5.974 29 HA VAL 5 HA VAL 5 3.498 9.705 3.359 30 HB VAL 5 HB VAL 5 5.300 8.549 5.422 31 1HG1 VAL 5 HG11 VAL 5 6.473 8.759 2.861 32 2HG1 VAL 5 HG12 VAL 5 4.794 8.268 2.631 33 3HG1 VAL 5 HG13 VAL 5 5.859 7.314 3.666 34 1HG2 VAL 5 HG21 VAL 5 6.056 10.737 5.695 35 2HG2 VAL 5 HG22 VAL 5 5.802 11.136 3.995 36 3HG2 VAL 5 HG23 VAL 5 7.131 10.076 4.463 37 H ALA 6 HN ALA 6 1.917 8.237 3.242 38 HA ALA 6 HA ALA 6 1.023 6.875 5.688 39 1HB ALA 6 HB1 ALA 6 -0.275 7.663 3.171 40 2HB ALA 6 HB2 ALA 6 -0.943 7.512 4.796 41 3HB ALA 6 HB3 ALA 6 -0.737 6.078 3.790 42 H THR 7 HN THR 7 0.419 4.501 5.397 43 HA THR 7 HA THR 7 2.057 3.157 3.392 44 HB THR 7 HB THR 7 2.272 2.359 6.280 45 HG1 THR 7 HG1 THR 7 3.846 4.141 4.761 46 1HG2 THR 7 HG21 THR 7 3.797 1.625 3.803 47 2HG2 THR 7 HG22 THR 7 2.911 0.566 4.906 48 3HG2 THR 7 HG23 THR 7 4.408 1.336 5.435 49 H ILE 8 HN ILE 8 1.196 1.431 2.567 50 HA ILE 8 HA ILE 8 -1.103 0.132 3.889 51 HB ILE 8 HB ILE 8 -0.733 0.467 0.911 52 1HG1 ILE 8 HG12 ILE 8 -0.949 2.664 2.187 53 2HG1 ILE 8 HG11 ILE 8 -2.140 2.375 0.924 54 1HG2 ILE 8 HG21 ILE 8 -2.219 -1.243 1.173 55 2HG2 ILE 8 HG22 ILE 8 -3.306 0.147 1.118 56 3HG2 ILE 8 HG23 ILE 8 -2.885 -0.585 2.669 57 1HD1 ILE 8 HD11 ILE 8 -3.793 2.621 2.365 58 2HD1 ILE 8 HD12 ILE 8 -2.603 3.055 3.593 59 3HD1 ILE 8 HD13 ILE 8 -3.119 1.378 3.420 60 H LYS 9 HN LYS 9 -0.382 -1.864 4.517 61 HA LYS 9 HA LYS 9 1.607 -3.257 2.879 62 1HB LYS 9 HB1 LYS 9 0.735 -4.560 5.350 63 2HB LYS 9 HB2 LYS 9 2.352 -4.238 4.747 64 1HG LYS 9 HG2 LYS 9 0.960 -1.828 5.609 65 2HG LYS 9 HG1 LYS 9 1.146 -3.021 6.890 66 1HD LYS 9 HD2 LYS 9 3.442 -2.190 5.149 67 2HD LYS 9 HD1 LYS 9 3.005 -1.314 6.617 68 1HE LYS 9 HE2 LYS 9 3.606 -4.264 6.532 69 2HE LYS 9 HE1 LYS 9 4.799 -3.026 6.925 70 1HZ LYS 9 HZ1 LYS 9 2.428 -3.859 8.466 71 2HZ LYS 9 HZ2 LYS 9 3.103 -2.325 8.696 72 3HZ LYS 9 HZ3 LYS 9 4.033 -3.709 8.981 73 H VAL 10 HN VAL 10 0.440 -4.120 1.205 74 HA VAL 10 HA VAL 10 -1.929 -5.695 1.778 75 HB VAL 10 HB VAL 10 -2.606 -5.216 -0.287 76 1HG1 VAL 10 HG21 VAL 10 -0.382 -3.553 -1.147 77 2HG1 VAL 10 HG22 VAL 10 -0.874 -3.230 0.515 78 3HG1 VAL 10 HG23 VAL 10 -2.054 -3.118 -0.792 79 1HG2 VAL 10 HG11 VAL 10 -1.629 -6.761 -1.622 80 2HG2 VAL 10 HG12 VAL 10 0.005 -6.359 -1.087 81 3HG2 VAL 10 HG13 VAL 10 -0.820 -5.329 -2.257 82 H MET 11 HN MET 11 -2.146 -7.875 1.627 83 HA MET 11 HA MET 11 0.024 -9.454 0.513 84 1HB MET 11 HB2 MET 11 0.941 -10.064 2.445 85 2HB MET 11 HB1 MET 11 -0.171 -9.006 3.299 86 1HG MET 11 HG1 MET 11 -1.038 -10.770 4.293 87 2HG MET 11 HG2 MET 11 -1.601 -11.358 2.732 88 1HE MET 11 HE1 MET 11 -0.359 -14.312 4.685 89 2HE MET 11 HE2 MET 11 -0.843 -14.437 2.993 90 3HE MET 11 HE3 MET 11 -1.704 -13.346 4.079 91 HA PRO 12 HA PRO 12 -3.640 -11.644 -0.888 92 1HB PRO 12 HB1 PRO 12 -1.638 -13.395 -2.168 93 2HB PRO 12 HB2 PRO 12 -2.925 -12.436 -2.904 94 1HG PRO 12 HG1 PRO 12 -0.362 -11.733 -3.167 95 2HG PRO 12 HG2 PRO 12 -1.635 -10.511 -2.972 96 1HD PRO 12 HD2 PRO 12 0.259 -11.612 -0.913 97 2HD PRO 12 HD1 PRO 12 -0.193 -9.922 -1.230 98 H GLU 13 HN GLU 13 -4.658 -13.039 0.376 99 HA GLU 13 HA GLU 13 -3.463 -14.638 2.329 100 1HB GLU 13 HB1 GLU 13 -6.182 -14.494 1.107 101 2HB GLU 13 HB2 GLU 13 -5.791 -15.883 2.113 102 1HG GLU 13 HG1 GLU 13 -5.099 -13.264 3.253 103 2HG GLU 13 HG2 GLU 13 -6.822 -13.575 3.042 104 H SER 14 HN SER 14 -4.138 -15.260 -1.024 105 HA SER 14 HA SER 14 -3.828 -18.110 -0.822 106 1HB SER 14 HB2 SER 14 -4.375 -16.150 -2.966 107 2HB SER 14 HB1 SER 14 -3.493 -17.592 -3.472 108 HG SER 14 HG SER 14 -5.491 -18.326 -1.866 109 HA PRO 15 HA PRO 15 0.559 -18.418 -1.034 110 1HB PRO 15 HB2 PRO 15 0.855 -20.690 -2.518 111 2HB PRO 15 HB1 PRO 15 0.376 -20.692 -0.818 112 1HG PRO 15 HG2 PRO 15 -1.328 -20.925 -3.269 113 2HG PRO 15 HG1 PRO 15 -1.425 -21.834 -1.749 114 1HD PRO 15 HD2 PRO 15 -3.087 -19.784 -2.298 115 2HD PRO 15 HD1 PRO 15 -2.520 -20.119 -0.649 116 H ASP 16 HN ASP 16 -1.367 -17.859 -3.740 117 HA ASP 16 HA ASP 16 0.867 -17.713 -5.614 118 1HB ASP 16 HB2 ASP 16 -2.097 -17.701 -5.844 119 2HB ASP 16 HB1 ASP 16 -1.202 -16.791 -7.056 120 H VAL 17 HN VAL 17 0.905 -15.968 -3.372 121 HA VAL 17 HA VAL 17 -0.066 -13.399 -4.055 122 HB VAL 17 HB VAL 17 0.256 -13.252 -1.867 123 1HG1 VAL 17 HG11 VAL 17 1.932 -15.589 -2.300 124 2HG1 VAL 17 HG12 VAL 17 0.736 -15.246 -1.047 125 3HG1 VAL 17 HG13 VAL 17 2.380 -14.620 -0.894 126 1HG2 VAL 17 HG21 VAL 17 2.151 -12.109 -1.130 127 2HG2 VAL 17 HG22 VAL 17 2.014 -11.698 -2.841 128 3HG2 VAL 17 HG23 VAL 17 3.196 -12.896 -2.314 129 H ASP 18 HN ASP 18 0.579 -13.078 -6.175 130 HA ASP 18 HA ASP 18 3.360 -13.025 -6.947 131 1HB ASP 18 HB1 ASP 18 0.763 -12.354 -8.295 132 2HB ASP 18 HB2 ASP 18 2.284 -11.811 -8.999 133 H LEU 19 HN LEU 19 4.500 -11.527 -5.819 134 HA LEU 19 HA LEU 19 3.473 -9.058 -4.947 135 1HB LEU 19 HB2 LEU 19 5.524 -8.682 -4.012 136 2HB LEU 19 HB1 LEU 19 5.572 -10.425 -4.189 137 HG LEU 19 HG LEU 19 6.675 -9.559 -6.558 138 1HD1 LEU 19 HD11 LEU 19 6.701 -7.247 -5.695 139 2HD1 LEU 19 HD12 LEU 19 8.319 -7.880 -6.006 140 3HD1 LEU 19 HD13 LEU 19 7.713 -7.786 -4.352 141 1HD2 LEU 19 HD21 LEU 19 8.836 -9.938 -4.889 142 2HD2 LEU 19 HD22 LEU 19 7.961 -11.196 -5.764 143 3HD2 LEU 19 HD23 LEU 19 7.539 -10.827 -4.092 144 H GLU 20 HN GLU 20 5.482 -9.862 -7.778 145 HA GLU 20 HA GLU 20 5.719 -7.178 -8.647 146 1HB GLU 20 HB1 GLU 20 7.334 -8.659 -9.472 147 2HB GLU 20 HB2 GLU 20 6.137 -9.836 -9.988 148 1HG GLU 20 HG1 GLU 20 6.854 -8.909 -11.978 149 2HG GLU 20 HG2 GLU 20 5.378 -8.007 -11.636 150 H ALA 21 HN ALA 21 3.402 -9.729 -9.276 151 HA ALA 21 HA ALA 21 1.998 -8.316 -11.337 152 1HB ALA 21 HB1 ALA 21 0.949 -10.498 -9.542 153 2HB ALA 21 HB2 ALA 21 1.836 -10.772 -11.041 154 3HB ALA 21 HB3 ALA 21 0.266 -9.971 -11.080 155 H LEU 22 HN LEU 22 1.836 -8.571 -7.870 156 HA LEU 22 HA LEU 22 -0.562 -7.070 -7.500 157 1HB LEU 22 HB2 LEU 22 1.280 -8.487 -5.879 158 2HB LEU 22 HB1 LEU 22 1.228 -6.849 -5.265 159 HG LEU 22 HG LEU 22 -1.117 -8.728 -5.580 160 1HD1 LEU 22 HD11 LEU 22 0.172 -7.569 -3.116 161 2HD1 LEU 22 HD12 LEU 22 0.380 -9.221 -3.697 162 3HD1 LEU 22 HD13 LEU 22 -1.208 -8.669 -3.162 163 1HD2 LEU 22 HD21 LEU 22 -1.075 -5.905 -4.523 164 2HD2 LEU 22 HD22 LEU 22 -2.462 -6.994 -4.539 165 3HD2 LEU 22 HD23 LEU 22 -1.773 -6.418 -6.060 166 H LYS 23 HN LYS 23 2.759 -6.342 -8.052 167 HA LYS 23 HA LYS 23 2.972 -3.757 -7.029 168 1HB LYS 23 HB2 LYS 23 4.449 -5.460 -8.823 169 2HB LYS 23 HB1 LYS 23 4.398 -3.826 -9.469 170 1HG LYS 23 HG2 LYS 23 6.119 -3.375 -8.156 171 2HG LYS 23 HG1 LYS 23 5.007 -3.472 -6.787 172 1HD LYS 23 HD2 LYS 23 5.647 -5.637 -6.265 173 2HD LYS 23 HD1 LYS 23 6.274 -5.948 -7.886 174 1HE LYS 23 HE1 LYS 23 7.498 -4.020 -5.917 175 2HE LYS 23 HE2 LYS 23 8.044 -5.679 -6.161 176 1HZ LYS 23 HZ1 LYS 23 8.614 -5.166 -8.418 177 2HZ LYS 23 HZ2 LYS 23 9.357 -4.035 -7.405 178 3HZ LYS 23 HZ3 LYS 23 7.977 -3.604 -8.283 179 H LYS 24 HN LYS 24 1.845 -4.896 -10.193 180 HA LYS 24 HA LYS 24 1.321 -2.309 -11.239 181 1HB LYS 24 HB1 LYS 24 -0.259 -4.636 -12.207 182 2HB LYS 24 HB2 LYS 24 0.552 -3.369 -13.117 183 1HG LYS 24 HG2 LYS 24 2.732 -4.473 -12.397 184 2HG LYS 24 HG1 LYS 24 1.735 -5.842 -11.900 185 1HD LYS 24 HD1 LYS 24 1.084 -4.892 -14.572 186 2HD LYS 24 HD2 LYS 24 2.765 -5.410 -14.423 187 1HE LYS 24 HE1 LYS 24 2.105 -7.522 -14.573 188 2HE LYS 24 HE2 LYS 24 1.201 -7.324 -13.072 189 1HZ LYS 24 HZ1 LYS 24 -0.748 -6.848 -14.217 190 2HZ LYS 24 HZ2 LYS 24 -0.060 -8.094 -15.131 191 3HZ LYS 24 HZ3 LYS 24 0.055 -6.493 -15.663 192 H GLU 25 HN GLU 25 -0.637 -4.698 -9.523 193 HA GLU 25 HA GLU 25 -3.111 -3.310 -9.803 194 1HB GLU 25 HB1 GLU 25 -2.270 -5.279 -7.663 195 2HB GLU 25 HB2 GLU 25 -3.920 -4.802 -8.043 196 1HG GLU 25 HG2 GLU 25 -3.587 -5.749 -10.326 197 2HG GLU 25 HG1 GLU 25 -2.032 -6.372 -9.777 198 H ILE 26 HN ILE 26 -0.394 -3.057 -7.706 199 HA ILE 26 HA ILE 26 -1.582 -1.664 -5.552 200 HB ILE 26 HB ILE 26 1.182 -2.155 -6.507 201 1HG1 ILE 26 HG12 ILE 26 0.533 -2.052 -3.634 202 2HG1 ILE 26 HG11 ILE 26 -0.428 -3.199 -4.563 203 1HG2 ILE 26 HG21 ILE 26 1.625 0.081 -6.230 204 2HG2 ILE 26 HG22 ILE 26 1.922 -0.526 -4.600 205 3HG2 ILE 26 HG23 ILE 26 0.399 0.281 -4.979 206 1HD1 ILE 26 HD11 ILE 26 1.434 -4.453 -5.165 207 2HD1 ILE 26 HD12 ILE 26 1.731 -4.025 -3.481 208 3HD1 ILE 26 HD13 ILE 26 2.557 -3.151 -4.771 209 H GLN 27 HN GLN 27 -0.157 -0.697 -8.606 210 HA GLN 27 HA GLN 27 -0.067 2.071 -8.187 211 1HB GLN 27 HB1 GLN 27 -0.042 0.254 -10.534 212 2HB GLN 27 HB2 GLN 27 -0.474 1.928 -10.848 213 1HG GLN 27 HG2 GLN 27 1.866 1.657 -11.203 214 2HG GLN 27 HG1 GLN 27 1.624 2.631 -9.752 215 1HE2 GLN 27 HE21 GLN 27 1.905 1.602 -7.694 216 2HE2 GLN 27 HE22 GLN 27 2.978 0.257 -7.542 217 H GLU 28 HN GLU 28 -2.618 -0.040 -9.412 218 HA GLU 28 HA GLU 28 -4.367 2.152 -10.045 219 1HB GLU 28 HB2 GLU 28 -5.973 0.496 -10.672 220 2HB GLU 28 HB1 GLU 28 -4.391 0.022 -11.269 221 1HG GLU 28 HG2 GLU 28 -4.809 -1.948 -10.396 222 2HG GLU 28 HG1 GLU 28 -4.482 -1.200 -8.838 223 H ARG 29 HN ARG 29 -3.705 0.298 -7.244 224 HA ARG 29 HA ARG 29 -6.261 0.894 -6.005 225 1HB ARG 29 HB2 ARG 29 -5.581 -0.491 -4.220 226 2HB ARG 29 HB1 ARG 29 -4.975 -1.274 -5.672 227 1HG ARG 29 HG1 ARG 29 -2.823 -0.964 -5.110 228 2HG ARG 29 HG2 ARG 29 -3.129 0.604 -4.357 229 1HD ARG 29 HD1 ARG 29 -4.443 -1.328 -2.779 230 2HD ARG 29 HD2 ARG 29 -2.836 -1.965 -3.127 231 HE ARG 29 HE ARG 29 -3.456 0.144 -1.355 232 1HH1 ARG 29 HH11 ARG 29 -1.112 -0.763 -3.771 233 2HH1 ARG 29 HH12 ARG 29 0.161 0.181 -3.074 234 1HH2 ARG 29 HH22 ARG 29 -1.781 1.387 -0.435 235 2HH2 ARG 29 HH21 ARG 29 -0.218 1.401 -1.180 236 H ILE 30 HN ILE 30 -3.297 2.443 -6.393 237 HA ILE 30 HA ILE 30 -2.945 3.715 -3.910 238 HB ILE 30 HB ILE 30 -2.217 4.628 -6.690 239 1HG1 ILE 30 HG11 ILE 30 -1.133 2.566 -5.744 240 2HG1 ILE 30 HG12 ILE 30 -0.012 3.853 -6.162 241 1HG2 ILE 30 HG21 ILE 30 -0.684 5.858 -4.561 242 2HG2 ILE 30 HG22 ILE 30 -2.399 6.266 -4.453 243 3HG2 ILE 30 HG23 ILE 30 -1.503 6.598 -5.936 244 1HD1 ILE 30 HD11 ILE 30 0.481 4.312 -3.957 245 2HD1 ILE 30 HD12 ILE 30 0.278 2.560 -3.942 246 3HD1 ILE 30 HD13 ILE 30 -1.022 3.604 -3.366 247 HA PRO 31 HA PRO 31 -6.420 6.448 -3.468 248 1HB PRO 31 HB2 PRO 31 -4.915 8.615 -2.491 249 2HB PRO 31 HB1 PRO 31 -5.714 7.374 -1.529 250 1HG PRO 31 HG2 PRO 31 -2.868 7.573 -2.382 251 2HG PRO 31 HG1 PRO 31 -3.549 6.938 -0.873 252 1HD PRO 31 HD1 PRO 31 -2.635 5.288 -2.754 253 2HD PRO 31 HD2 PRO 31 -4.112 4.901 -1.846 254 H GLU 32 HN GLU 32 -7.335 7.433 -5.133 255 HA GLU 32 HA GLU 32 -5.991 8.469 -7.349 256 1HB GLU 32 HB2 GLU 32 -8.568 7.823 -6.795 257 2HB GLU 32 HB1 GLU 32 -8.671 9.578 -6.809 258 1HG GLU 32 HG2 GLU 32 -7.414 9.395 -9.058 259 2HG GLU 32 HG1 GLU 32 -7.939 7.712 -9.023 260 H GLY 33 HN GLY 33 -5.975 9.813 -4.353 261 1HA GLY 33 HA1 GLY 33 -6.361 12.571 -5.108 262 2HA GLY 33 HA2 GLY 33 -5.837 11.982 -3.538 263 H THR 34 HN THR 34 -3.540 10.883 -3.710 264 HA THR 34 HA THR 34 -1.835 12.808 -5.143 265 HB THR 34 HB THR 34 -0.725 11.240 -2.879 266 HG1 THR 34 HG1 THR 34 -2.791 13.123 -2.630 267 1HG2 THR 34 HG21 THR 34 -0.183 13.742 -4.227 268 2HG2 THR 34 HG22 THR 34 0.864 12.745 -3.215 269 3HG2 THR 34 HG23 THR 34 -0.228 13.915 -2.472 270 H GLU 35 HN GLU 35 0.473 11.012 -4.221 271 HA GLU 35 HA GLU 35 0.155 8.847 -6.184 272 1HB GLU 35 HB1 GLU 35 2.423 10.826 -5.981 273 2HB GLU 35 HB2 GLU 35 2.562 9.303 -6.847 274 1HG GLU 35 HG1 GLU 35 0.202 10.657 -7.707 275 2HG GLU 35 HG2 GLU 35 1.575 11.760 -7.791 276 H LEU 36 HN LEU 36 2.101 7.324 -6.032 277 HA LEU 36 HA LEU 36 2.173 6.342 -3.351 278 1HB LEU 36 HB1 LEU 36 3.866 4.693 -4.472 279 2HB LEU 36 HB2 LEU 36 2.155 4.605 -4.848 280 HG LEU 36 HG LEU 36 3.720 6.355 -6.627 281 1HD1 LEU 36 HD11 LEU 36 4.062 3.656 -7.534 282 2HD1 LEU 36 HD12 LEU 36 4.834 3.872 -5.963 283 3HD1 LEU 36 HD13 LEU 36 5.268 4.923 -7.312 284 1HD2 LEU 36 HD21 LEU 36 1.692 6.084 -7.550 285 2HD2 LEU 36 HD22 LEU 36 1.392 4.569 -6.698 286 3HD2 LEU 36 HD23 LEU 36 2.372 4.577 -8.165 287 H HIS 37 HN HIS 37 4.530 5.365 -2.752 288 HA HIS 37 HA HIS 37 6.469 7.574 -2.863 289 1HB HIS 37 HB1 HIS 37 5.290 7.628 -0.701 290 2HB HIS 37 HB2 HIS 37 5.737 5.956 -0.415 291 HD2 HIS 37 HD2 HIS 37 8.165 5.546 0.697 292 HE1 HIS 37 HE1 HIS 37 9.468 9.568 0.506 293 HE2 HIS 37 HE2 HIS 37 10.002 7.247 1.380 294 H LYS 38 HN LYS 38 6.458 4.491 -1.167 295 HA LYS 38 HA LYS 38 8.285 3.220 -3.009 296 1HB LYS 38 HB1 LYS 38 9.149 4.202 -0.292 297 2HB LYS 38 HB2 LYS 38 9.944 2.847 -1.076 298 1HG LYS 38 HG1 LYS 38 9.714 5.607 -2.249 299 2HG LYS 38 HG2 LYS 38 11.120 4.993 -1.375 300 1HD LYS 38 HD2 LYS 38 10.661 3.039 -3.256 301 2HD LYS 38 HD1 LYS 38 10.279 4.525 -4.127 302 1HE LYS 38 HE2 LYS 38 12.443 5.449 -3.579 303 2HE LYS 38 HE1 LYS 38 12.826 4.043 -2.585 304 1HZ LYS 38 HZ1 LYS 38 12.093 3.423 -5.308 305 2HZ LYS 38 HZ2 LYS 38 13.371 2.835 -4.369 306 3HZ LYS 38 HZ3 LYS 38 13.518 4.322 -5.162 307 H ILE 39 HN ILE 39 7.916 1.070 -2.962 308 HA ILE 39 HA ILE 39 6.168 0.043 -0.878 309 HB ILE 39 HB ILE 39 7.125 -1.537 -3.239 310 1HG1 ILE 39 HG12 ILE 39 5.109 0.687 -3.142 311 2HG1 ILE 39 HG11 ILE 39 6.329 0.354 -4.363 312 1HG2 ILE 39 HG21 ILE 39 4.668 -1.587 -1.495 313 2HG2 ILE 39 HG22 ILE 39 5.948 -2.799 -1.586 314 3HG2 ILE 39 HG23 ILE 39 4.859 -2.562 -2.954 315 1HD1 ILE 39 HD11 ILE 39 4.550 -0.334 -5.540 316 2HD1 ILE 39 HD12 ILE 39 3.584 -0.656 -4.098 317 3HD1 ILE 39 HD13 ILE 39 4.789 -1.829 -4.635 318 H ASP 40 HN ASP 40 6.556 -2.100 0.054 319 HA ASP 40 HA ASP 40 9.423 -2.692 0.397 320 1HB ASP 40 HB1 ASP 40 7.828 -1.544 2.313 321 2HB ASP 40 HB2 ASP 40 7.694 -3.257 2.703 322 H GLU 41 HN GLU 41 9.926 -4.742 -0.044 323 HA GLU 41 HA GLU 41 7.812 -6.705 -0.359 324 1HB GLU 41 HB1 GLU 41 10.764 -7.214 -0.684 325 2HB GLU 41 HB2 GLU 41 9.423 -8.070 -1.431 326 1HG GLU 41 HG1 GLU 41 9.024 -6.367 -2.962 327 2HG GLU 41 HG2 GLU 41 9.916 -5.178 -2.013 328 H GLU 42 HN GLU 42 7.326 -6.582 1.993 329 HA GLU 42 HA GLU 42 9.217 -8.064 3.677 330 1HB GLU 42 HB1 GLU 42 7.258 -5.969 4.158 331 2HB GLU 42 HB2 GLU 42 7.048 -7.324 5.260 332 1HG GLU 42 HG2 GLU 42 9.695 -7.038 5.443 333 2HG GLU 42 HG1 GLU 42 9.254 -5.376 5.039 334 HA PRO 43 HA PRO 43 6.509 -11.552 3.266 335 1HB PRO 43 HB1 PRO 43 7.895 -13.289 4.800 336 2HB PRO 43 HB2 PRO 43 8.444 -12.776 3.201 337 1HG PRO 43 HG2 PRO 43 9.453 -12.026 5.875 338 2HG PRO 43 HG1 PRO 43 10.294 -12.040 4.319 339 1HD PRO 43 HD1 PRO 43 9.192 -9.793 5.674 340 2HD PRO 43 HD2 PRO 43 9.914 -9.826 4.057 341 H ILE 44 HN ILE 44 5.092 -12.882 4.444 342 HA ILE 44 HA ILE 44 4.546 -11.964 7.189 343 HB ILE 44 HB ILE 44 2.349 -12.836 5.351 344 1HG1 ILE 44 HG12 ILE 44 3.613 -11.098 4.134 345 2HG1 ILE 44 HG11 ILE 44 2.019 -10.526 4.612 346 1HG2 ILE 44 HG21 ILE 44 2.541 -11.889 8.010 347 2HG2 ILE 44 HG22 ILE 44 1.091 -12.314 7.101 348 3HG2 ILE 44 HG23 ILE 44 1.700 -10.660 7.068 349 1HD1 ILE 44 HD11 ILE 44 4.683 -9.583 5.388 350 2HD1 ILE 44 HD12 ILE 44 3.527 -9.710 6.716 351 3HD1 ILE 44 HD13 ILE 44 3.145 -8.720 5.308 352 H ALA 45 HN ALA 45 2.868 -14.379 5.236 353 HA ALA 45 HA ALA 45 2.838 -16.281 7.337 354 1HB ALA 45 HB1 ALA 45 2.385 -17.106 4.512 355 2HB ALA 45 HB2 ALA 45 1.268 -15.964 5.259 356 3HB ALA 45 HB3 ALA 45 1.509 -17.557 5.975 357 H PHE 46 HN PHE 46 3.352 -18.634 5.645 358 HA PHE 46 HA PHE 46 6.101 -18.994 6.290 359 1HB PHE 46 HB2 PHE 46 4.150 -20.695 4.726 360 2HB PHE 46 HB1 PHE 46 5.793 -21.201 5.107 361 HD1 PHE 46 HD1 PHE 46 2.452 -21.297 6.150 362 HD2 PHE 46 HD2 PHE 46 6.425 -21.069 7.656 363 HE1 PHE 46 HE1 PHE 46 1.677 -22.169 8.316 364 HE2 PHE 46 HE2 PHE 46 5.658 -21.940 9.825 365 HZ PHE 46 HZ PHE 46 3.281 -22.491 10.158 366 H GLY 47 HN GLY 47 4.341 -18.144 3.400 367 1HA GLY 47 HA1 GLY 47 6.865 -17.505 2.086 368 2HA GLY 47 HA2 GLY 47 5.844 -18.687 1.282 369 H LEU 48 HN LEU 48 3.893 -16.519 2.911 370 HA LEU 48 HA LEU 48 3.250 -15.167 0.412 371 1HB LEU 48 HB2 LEU 48 1.756 -14.848 2.997 372 2HB LEU 48 HB1 LEU 48 1.171 -14.608 1.363 373 HG LEU 48 HG LEU 48 1.596 -17.182 2.848 374 1HD1 LEU 48 HD11 LEU 48 -0.717 -17.227 1.288 375 2HD1 LEU 48 HD12 LEU 48 -0.638 -15.597 1.957 376 3HD1 LEU 48 HD13 LEU 48 -0.608 -16.994 3.033 377 1HD2 LEU 48 HD21 LEU 48 1.269 -16.930 -0.138 378 2HD2 LEU 48 HD22 LEU 48 1.289 -18.428 0.792 379 3HD2 LEU 48 HD23 LEU 48 2.743 -17.434 0.691 380 H VAL 49 HN VAL 49 4.578 -13.498 0.050 381 HA VAL 49 HA VAL 49 5.367 -11.747 2.228 382 HB VAL 49 HB VAL 49 6.184 -11.810 -0.677 383 1HG1 VAL 49 HG21 VAL 49 6.282 -9.602 0.971 384 2HG1 VAL 49 HG22 VAL 49 7.272 -9.873 -0.462 385 3HG1 VAL 49 HG23 VAL 49 7.893 -10.301 1.131 386 1HG2 VAL 49 HG11 VAL 49 7.232 -13.011 1.803 387 2HG2 VAL 49 HG12 VAL 49 8.427 -12.302 0.717 388 3HG2 VAL 49 HG13 VAL 49 7.346 -13.567 0.133 389 H ALA 50 HN ALA 50 4.586 -9.787 2.609 390 HA ALA 50 HA ALA 50 2.514 -8.723 0.845 391 1HB ALA 50 HB1 ALA 50 3.327 -7.714 3.565 392 2HB ALA 50 HB2 ALA 50 2.100 -8.954 3.300 393 3HB ALA 50 HB3 ALA 50 1.858 -7.324 2.668 394 H LEU 51 HN LEU 51 2.473 -6.384 0.461 395 HA LEU 51 HA LEU 51 5.185 -5.265 0.185 396 1HB LEU 51 HB1 LEU 51 2.872 -5.343 -1.717 397 2HB LEU 51 HB2 LEU 51 3.984 -3.990 -1.781 398 HG LEU 51 HG LEU 51 5.853 -5.589 -2.145 399 1HD1 LEU 51 HD11 LEU 51 4.844 -7.540 -1.076 400 2HD1 LEU 51 HD12 LEU 51 5.350 -7.900 -2.727 401 3HD1 LEU 51 HD13 LEU 51 3.644 -7.631 -2.365 402 1HD2 LEU 51 HD21 LEU 51 4.334 -6.443 -4.380 403 2HD2 LEU 51 HD22 LEU 51 5.505 -5.127 -4.282 404 3HD2 LEU 51 HD23 LEU 51 3.802 -4.818 -3.949 405 H ASN 52 HN ASN 52 5.468 -3.505 1.371 406 HA ASN 52 HA ASN 52 3.159 -2.075 2.416 407 1HB ASN 52 HB1 ASN 52 6.022 -1.376 3.025 408 2HB ASN 52 HB2 ASN 52 4.593 -1.177 4.036 409 1HD2 ASN 52 HD22 ASN 52 3.587 -3.841 3.524 410 2HD2 ASN 52 HD21 ASN 52 4.597 -4.926 4.412 411 H VAL 53 HN VAL 53 2.408 -0.976 0.662 412 HA VAL 53 HA VAL 53 4.153 0.714 -0.892 413 HB VAL 53 HB VAL 53 1.145 0.606 -1.037 414 1HG1 VAL 53 HG21 VAL 53 2.553 2.418 -2.203 415 2HG1 VAL 53 HG22 VAL 53 1.350 1.548 -3.157 416 3HG1 VAL 53 HG23 VAL 53 3.057 1.120 -3.286 417 1HG2 VAL 53 HG11 VAL 53 2.848 -1.557 -1.415 418 2HG2 VAL 53 HG12 VAL 53 2.510 -0.962 -3.041 419 3HG2 VAL 53 HG13 VAL 53 1.180 -1.410 -1.973 420 H MET 54 HN MET 54 4.868 2.439 0.205 421 HA MET 54 HA MET 54 3.108 4.027 1.863 422 1HB MET 54 HB1 MET 54 5.999 4.374 1.035 423 2HB MET 54 HB2 MET 54 5.156 5.472 2.118 424 1HG MET 54 HG1 MET 54 5.121 3.968 3.843 425 2HG MET 54 HG2 MET 54 5.200 2.571 2.770 426 1HE MET 54 HE1 MET 54 7.167 1.208 3.946 427 2HE MET 54 HE2 MET 54 6.791 2.348 5.238 428 3HE MET 54 HE3 MET 54 8.469 2.056 4.781 429 H VAL 55 HN VAL 55 3.011 6.423 1.524 430 HA VAL 55 HA VAL 55 3.073 7.173 -1.308 431 HB VAL 55 HB VAL 55 0.859 7.958 -1.375 432 1HG1 VAL 55 HG11 VAL 55 -0.498 6.007 -0.878 433 2HG1 VAL 55 HG12 VAL 55 0.771 5.377 0.173 434 3HG1 VAL 55 HG13 VAL 55 1.054 5.522 -1.563 435 1HG2 VAL 55 HG21 VAL 55 0.638 7.445 1.587 436 2HG2 VAL 55 HG22 VAL 55 -0.640 8.065 0.539 437 3HG2 VAL 55 HG23 VAL 55 0.810 9.028 0.829 438 H VAL 56 HN VAL 56 3.655 9.250 -1.695 439 HA VAL 56 HA VAL 56 4.276 10.890 0.663 440 HB VAL 56 HB VAL 56 5.236 12.148 -1.692 441 1HG1 VAL 56 HG11 VAL 56 6.940 10.612 0.228 442 2HG1 VAL 56 HG12 VAL 56 6.064 12.053 0.748 443 3HG1 VAL 56 HG13 VAL 56 7.254 12.163 -0.551 444 1HG2 VAL 56 HG21 VAL 56 5.765 9.194 -1.592 445 2HG2 VAL 56 HG22 VAL 56 6.862 10.324 -2.386 446 3HG2 VAL 56 HG23 VAL 56 5.200 10.164 -2.952 447 H VAL 57 HN VAL 57 2.864 12.399 1.202 448 HA VAL 57 HA VAL 57 1.503 13.885 -0.937 449 HB VAL 57 HB VAL 57 -0.590 13.859 0.118 450 1HG1 VAL 57 HG21 VAL 57 -0.444 11.162 0.894 451 2HG1 VAL 57 HG22 VAL 57 0.740 11.376 -0.395 452 3HG1 VAL 57 HG23 VAL 57 -0.946 11.814 -0.666 453 1HG2 VAL 57 HG11 VAL 57 0.688 12.590 2.536 454 2HG2 VAL 57 HG12 VAL 57 -1.020 12.987 2.348 455 3HG2 VAL 57 HG13 VAL 57 0.185 14.274 2.405 456 H GLY 58 HN GLY 58 1.068 16.075 -0.490 457 1HA GLY 58 HA2 GLY 58 1.660 17.250 2.049 458 2HA GLY 58 HA1 GLY 58 2.976 17.488 0.908 459 H ASP 59 HN ASP 59 2.213 18.329 -1.304 460 HA ASP 59 HA ASP 59 0.725 20.746 -0.808 461 1HB ASP 59 HB2 ASP 59 2.797 20.558 -2.282 462 2HB ASP 59 HB1 ASP 59 1.758 19.786 -3.476 463 H ALA 60 HN ALA 60 -0.082 17.637 -1.628 464 HA ALA 60 HA ALA 60 -2.147 18.048 -3.529 465 1HB ALA 60 HB1 ALA 60 -2.208 15.777 -1.599 466 2HB ALA 60 HB2 ALA 60 -0.901 15.879 -2.778 467 3HB ALA 60 HB3 ALA 60 -2.577 15.800 -3.325 468 H GLU 61 HN GLU 61 -4.091 16.398 -1.907 469 HA GLU 61 HA GLU 61 -5.031 18.312 0.075 470 1HB GLU 61 HB1 GLU 61 -7.377 17.801 -1.233 471 2HB GLU 61 HB2 GLU 61 -6.429 19.272 -1.407 472 1HG GLU 61 HG1 GLU 61 -5.286 18.272 -3.346 473 2HG GLU 61 HG2 GLU 61 -6.317 16.849 -3.190 474 H GLY 62 HN GLY 62 -7.547 17.303 0.509 475 1HA GLY 62 HA1 GLY 62 -6.914 14.793 1.799 476 2HA GLY 62 HA2 GLY 62 -8.430 15.678 1.918 477 H GLY 63 HN GLY 63 -7.273 15.217 -1.248 478 1HA GLY 63 HA2 GLY 63 -9.535 13.653 -1.990 479 2HA GLY 63 HA1 GLY 63 -8.182 14.075 -3.026 480 H THR 64 HN THR 64 -6.818 12.709 -0.384 481 HA THR 64 HA THR 64 -6.261 10.261 -1.768 482 HB THR 64 HB THR 64 -4.657 9.851 -0.156 483 HG1 THR 64 HG1 THR 64 -4.962 11.061 1.982 484 1HG2 THR 64 HG21 THR 64 -3.552 11.704 -0.654 485 2HG2 THR 64 HG22 THR 64 -4.189 12.360 0.855 486 3HG2 THR 64 HG23 THR 64 -5.022 12.678 -0.667 487 H GLU 65 HN GLU 65 -8.852 11.272 -0.033 488 HA GLU 65 HA GLU 65 -9.531 9.174 1.678 489 1HB GLU 65 HB2 GLU 65 -11.890 9.863 1.205 490 2HB GLU 65 HB1 GLU 65 -10.833 11.188 1.662 491 1HG GLU 65 HG2 GLU 65 -10.752 12.030 -0.519 492 2HG GLU 65 HG1 GLU 65 -11.395 10.538 -1.205 493 H ALA 66 HN ALA 66 -9.407 9.390 -1.727 494 HA ALA 66 HA ALA 66 -11.194 7.434 -2.551 495 1HB ALA 66 HB1 ALA 66 -9.685 7.182 -4.538 496 2HB ALA 66 HB2 ALA 66 -8.553 8.270 -3.734 497 3HB ALA 66 HB3 ALA 66 -10.162 8.841 -4.174 498 H ALA 67 HN ALA 67 -8.089 7.104 -1.021 499 HA ALA 67 HA ALA 67 -7.464 4.472 -1.732 500 1HB ALA 67 HB1 ALA 67 -6.467 6.425 0.071 501 2HB ALA 67 HB2 ALA 67 -5.671 4.969 -0.528 502 3HB ALA 67 HB3 ALA 67 -6.638 4.902 0.946 503 H GLU 68 HN GLU 68 -9.092 5.649 1.219 504 HA GLU 68 HA GLU 68 -9.781 3.139 2.242 505 1HB GLU 68 HB1 GLU 68 -11.135 5.823 2.555 506 2HB GLU 68 HB2 GLU 68 -11.580 4.394 3.476 507 1HG GLU 68 HG2 GLU 68 -8.753 4.820 3.649 508 2HG GLU 68 HG1 GLU 68 -9.617 6.295 4.084 509 H GLU 69 HN GLU 69 -11.348 5.184 -0.143 510 HA GLU 69 HA GLU 69 -13.828 3.857 -0.269 511 1HB GLU 69 HB1 GLU 69 -12.640 6.026 -1.550 512 2HB GLU 69 HB2 GLU 69 -12.908 4.862 -2.841 513 1HG GLU 69 HG2 GLU 69 -15.220 5.073 -1.132 514 2HG GLU 69 HG1 GLU 69 -14.749 6.645 -1.776 515 H SER 70 HN SER 70 -10.869 3.488 -2.192 516 HA SER 70 HA SER 70 -11.794 1.323 -3.754 517 1HB SER 70 HB2 SER 70 -9.615 1.187 -4.598 518 2HB SER 70 HB1 SER 70 -9.738 2.879 -4.114 519 HG SER 70 HG SER 70 -8.354 0.769 -2.875 520 H LEU 71 HN LEU 71 -10.668 1.570 -0.524 521 HA LEU 71 HA LEU 71 -9.749 -1.104 -0.207 522 1HB LEU 71 HB2 LEU 71 -9.977 1.251 1.389 523 2HB LEU 71 HB1 LEU 71 -10.680 -0.088 2.273 524 HG LEU 71 HG LEU 71 -8.355 0.168 2.882 525 1HD1 LEU 71 HD11 LEU 71 -7.613 -2.152 1.622 526 2HD1 LEU 71 HD12 LEU 71 -9.376 -2.226 1.574 527 3HD1 LEU 71 HD13 LEU 71 -8.542 -2.043 3.117 528 1HD2 LEU 71 HD21 LEU 71 -6.558 -0.104 1.251 529 2HD2 LEU 71 HD22 LEU 71 -7.566 1.293 0.872 530 3HD2 LEU 71 HD23 LEU 71 -7.748 -0.201 -0.047 531 H SER 72 HN SER 72 -12.845 0.429 -0.144 532 HA SER 72 HA SER 72 -14.288 -1.485 1.341 533 1HB SER 72 HB1 SER 72 -14.877 0.933 0.195 534 2HB SER 72 HB2 SER 72 -15.747 -0.182 -0.859 535 HG SER 72 HG SER 72 -16.333 -1.068 1.451 536 H GLY 73 HN GLY 73 -12.892 -1.588 -1.764 537 1HA GLY 73 HA2 GLY 73 -13.993 -4.250 -2.206 538 2HA GLY 73 HA1 GLY 73 -14.343 -3.053 -3.442 539 H ILE 74 HN ILE 74 -11.384 -3.072 -1.637 540 HA ILE 74 HA ILE 74 -9.798 -3.110 -4.002 541 HB ILE 74 HB ILE 74 -9.342 -1.975 -1.715 542 1HG1 ILE 74 HG12 ILE 74 -6.903 -3.326 -2.793 543 2HG1 ILE 74 HG11 ILE 74 -7.833 -2.270 -3.852 544 1HG2 ILE 74 HG21 ILE 74 -9.471 -4.217 -0.521 545 2HG2 ILE 74 HG22 ILE 74 -8.143 -3.141 -0.085 546 3HG2 ILE 74 HG23 ILE 74 -7.852 -4.514 -1.152 547 1HD1 ILE 74 HD11 ILE 74 -5.995 -1.082 -2.804 548 2HD1 ILE 74 HD12 ILE 74 -6.627 -1.491 -1.210 549 3HD1 ILE 74 HD13 ILE 74 -7.549 -0.434 -2.279 550 H GLU 75 HN GLU 75 -7.579 -4.679 -3.144 551 HA GLU 75 HA GLU 75 -8.079 -7.124 -4.320 552 1HB GLU 75 HB1 GLU 75 -5.977 -7.844 -2.984 553 2HB GLU 75 HB2 GLU 75 -5.823 -6.521 -4.134 554 1HG GLU 75 HG1 GLU 75 -6.557 -5.523 -1.545 555 2HG GLU 75 HG2 GLU 75 -5.106 -6.520 -1.447 556 H GLY 76 HN GLY 76 -9.889 -8.167 -3.594 557 1HA GLY 76 HA1 GLY 76 -10.680 -8.512 -0.944 558 2HA GLY 76 HA2 GLY 76 -11.185 -9.527 -2.285 559 H VAL 77 HN VAL 77 -8.427 -10.411 -2.851 560 HA VAL 77 HA VAL 77 -8.351 -12.550 -0.895 561 HB VAL 77 HB VAL 77 -6.425 -12.146 -3.177 562 1HG1 VAL 77 HG21 VAL 77 -5.579 -14.109 -2.570 563 2HG1 VAL 77 HG22 VAL 77 -7.176 -14.857 -2.580 564 3HG1 VAL 77 HG23 VAL 77 -6.591 -14.045 -1.127 565 1HG2 VAL 77 HG11 VAL 77 -9.139 -13.454 -3.226 566 2HG2 VAL 77 HG12 VAL 77 -7.924 -13.622 -4.494 567 3HG2 VAL 77 HG13 VAL 77 -8.619 -12.039 -4.142 568 H SER 78 HN SER 78 -6.457 -9.767 -1.827 569 HA SER 78 HA SER 78 -4.401 -10.400 0.131 570 1HB SER 78 HB1 SER 78 -3.550 -9.622 -1.990 571 2HB SER 78 HB2 SER 78 -4.629 -8.229 -1.963 572 HG SER 78 HG SER 78 -2.186 -8.535 -0.835 573 H ASN 79 HN ASN 79 -5.445 -10.034 2.110 574 HA ASN 79 HA ASN 79 -6.774 -7.520 2.599 575 1HB ASN 79 HB2 ASN 79 -7.657 -9.131 4.004 576 2HB ASN 79 HB1 ASN 79 -6.095 -9.884 4.298 577 1HD2 ASN 79 HD21 ASN 79 -6.817 -6.391 4.617 578 2HD2 ASN 79 HD22 ASN 79 -6.553 -6.346 6.321 579 H ILE 80 HN ILE 80 -5.875 -5.725 3.183 580 HA ILE 80 HA ILE 80 -2.998 -5.697 3.542 581 HB ILE 80 HB ILE 80 -4.881 -3.389 3.137 582 1HG1 ILE 80 HG11 ILE 80 -3.660 -3.773 0.722 583 2HG1 ILE 80 HG12 ILE 80 -3.916 -5.430 1.260 584 1HG2 ILE 80 HG21 ILE 80 -2.289 -3.057 2.005 585 2HG2 ILE 80 HG22 ILE 80 -2.145 -3.519 3.700 586 3HG2 ILE 80 HG23 ILE 80 -3.098 -2.106 3.250 587 1HD1 ILE 80 HD11 ILE 80 -6.107 -5.324 0.899 588 2HD1 ILE 80 HD12 ILE 80 -5.736 -3.889 -0.057 589 3HD1 ILE 80 HD13 ILE 80 -6.245 -3.723 1.622 590 H GLU 81 HN GLU 81 -1.959 -4.535 5.132 591 HA GLU 81 HA GLU 81 -3.426 -4.155 7.620 592 1HB GLU 81 HB2 GLU 81 -1.158 -5.261 7.613 593 2HB GLU 81 HB1 GLU 81 -0.476 -3.736 7.062 594 1HG GLU 81 HG1 GLU 81 -0.387 -2.954 9.128 595 2HG GLU 81 HG2 GLU 81 -2.092 -3.318 9.399 596 H VAL 82 HN VAL 82 -4.659 -2.561 6.407 597 HA VAL 82 HA VAL 82 -3.385 -0.173 5.493 598 HB VAL 82 HB VAL 82 -6.325 -0.831 5.853 599 1HG1 VAL 82 HG21 VAL 82 -6.561 1.389 5.488 600 2HG1 VAL 82 HG22 VAL 82 -6.145 0.996 3.819 601 3HG1 VAL 82 HG23 VAL 82 -4.896 1.569 4.929 602 1HG2 VAL 82 HG11 VAL 82 -6.015 -0.950 3.239 603 2HG2 VAL 82 HG12 VAL 82 -5.719 -2.347 4.278 604 3HG2 VAL 82 HG13 VAL 82 -4.364 -1.375 3.696 605 H THR 83 HN THR 83 -2.576 -0.346 7.993 606 HA THR 83 HA THR 83 -4.049 1.794 9.344 607 HB THR 83 HB THR 83 -2.759 -0.399 10.939 608 HG1 THR 83 HG1 THR 83 -5.081 -1.124 11.077 609 1HG2 THR 83 HG21 THR 83 -3.426 1.661 12.096 610 2HG2 THR 83 HG22 THR 83 -4.311 0.241 12.651 611 3HG2 THR 83 HG23 THR 83 -5.086 1.394 11.565 612 H ASP 84 HN ASP 84 -1.299 1.131 7.801 613 HA ASP 84 HA ASP 84 0.557 2.066 9.832 614 1HB ASP 84 HB2 ASP 84 0.945 1.301 6.938 615 2HB ASP 84 HB1 ASP 84 2.243 1.845 7.998 616 H VAL 85 HN VAL 85 1.227 4.093 10.075 617 HA VAL 85 HA VAL 85 0.877 6.020 7.914 618 HB VAL 85 HB VAL 85 -1.186 6.011 9.382 619 1HG1 VAL 85 HG11 VAL 85 0.648 7.340 11.369 620 2HG1 VAL 85 HG12 VAL 85 0.028 5.695 11.520 621 3HG1 VAL 85 HG13 VAL 85 -1.086 7.062 11.541 622 1HG2 VAL 85 HG21 VAL 85 -1.528 8.207 8.922 623 2HG2 VAL 85 HG22 VAL 85 -0.035 7.989 8.008 624 3HG2 VAL 85 HG23 VAL 85 0.014 8.706 9.618 625 H ARG 86 HN ARG 86 2.235 7.790 8.023 626 HA ARG 86 HA ARG 86 3.996 8.113 10.291 627 1HB ARG 86 HB1 ARG 86 5.587 6.823 9.398 628 2HB ARG 86 HB2 ARG 86 4.738 6.719 7.869 629 1HG ARG 86 HG2 ARG 86 6.056 8.217 6.893 630 2HG ARG 86 HG1 ARG 86 6.058 9.269 8.307 631 1HD ARG 86 HD1 ARG 86 7.742 7.918 9.373 632 2HD ARG 86 HD2 ARG 86 7.655 6.725 8.078 633 HE ARG 86 HE ARG 86 8.713 9.457 7.764 634 1HH1 ARG 86 HH22 ARG 86 8.606 6.093 6.862 635 2HH1 ARG 86 HH21 ARG 86 9.890 6.231 5.708 636 1HH2 ARG 86 HH12 ARG 86 10.402 9.647 6.247 637 2HH2 ARG 86 HH11 ARG 86 10.911 8.250 5.359 638 H ARG 87 HN ARG 87 2.844 10.067 10.462 639 HA ARG 87 HA ARG 87 2.868 11.962 8.265 640 1HB ARG 87 HB1 ARG 87 1.892 12.516 11.055 641 2HB ARG 87 HB2 ARG 87 1.376 13.258 9.548 642 1HG ARG 87 HG2 ARG 87 0.844 10.513 9.293 643 2HG ARG 87 HG1 ARG 87 0.303 10.986 10.906 644 1HD ARG 87 HD2 ARG 87 -0.610 13.057 9.408 645 2HD ARG 87 HD1 ARG 87 -0.744 11.723 8.264 646 HE ARG 87 HE ARG 87 -1.849 11.217 10.891 647 1HH1 ARG 87 HH11 ARG 87 -2.447 12.317 7.637 648 2HH1 ARG 87 HH12 ARG 87 -4.151 12.014 7.711 649 1HH2 ARG 87 HH21 ARG 87 -4.091 10.817 10.995 650 2HH2 ARG 87 HH22 ARG 87 -5.085 11.161 9.620 651 H LEU 88 HN LEU 88 4.901 12.830 7.952 652 HA LEU 88 HA LEU 88 6.399 13.788 10.265 653 1HB LEU 88 HB1 LEU 88 7.525 14.680 7.785 654 2HB LEU 88 HB2 LEU 88 8.217 13.641 9.010 655 HG LEU 88 HG LEU 88 6.445 12.701 6.759 656 1HD1 LEU 88 HD11 LEU 88 8.249 12.682 5.467 657 2HD1 LEU 88 HD12 LEU 88 9.114 11.709 6.657 658 3HD1 LEU 88 HD13 LEU 88 9.164 13.472 6.754 659 1HD2 LEU 88 HD21 LEU 88 7.069 11.507 9.202 660 2HD2 LEU 88 HD22 LEU 88 8.118 10.729 8.016 661 3HD2 LEU 88 HD23 LEU 88 6.369 10.734 7.777 662 H MET 89 HN MET 89 5.075 15.435 11.028 663 HA MET 89 HA MET 89 4.480 17.652 9.210 664 1HB MET 89 HB1 MET 89 3.144 18.519 11.173 665 2HB MET 89 HB2 MET 89 2.576 17.009 10.475 666 1HG MET 89 HG2 MET 89 3.889 15.840 12.300 667 2HG MET 89 HG1 MET 89 4.048 17.425 13.053 668 1HE MET 89 HE1 MET 89 1.361 14.585 12.010 669 2HE MET 89 HE2 MET 89 1.190 15.983 10.949 670 3HE MET 89 HE3 MET 89 -0.075 15.604 12.119 Start of MODEL 25 1 1H MET 1 HT1 MET 1 13.492 16.009 6.134 2 2H MET 1 HT2 MET 1 12.697 17.523 6.271 3 3H MET 1 HT3 MET 1 12.242 16.423 5.036 4 HA MET 1 HA MET 1 11.168 15.047 6.434 5 1HB MET 1 HB1 MET 1 13.351 15.735 8.128 6 2HB MET 1 HB2 MET 1 11.870 15.995 9.040 7 1HG MET 1 HG1 MET 1 12.393 13.801 9.517 8 2HG MET 1 HG2 MET 1 11.211 13.646 8.218 9 1HE MET 1 HE1 MET 1 13.284 10.790 8.320 10 2HE MET 1 HE2 MET 1 12.689 10.910 6.664 11 3HE MET 1 HE3 MET 1 11.679 11.450 8.005 12 H GLY 2 HN GLY 2 9.158 15.806 6.208 13 1HA GLY 2 HA1 GLY 2 7.915 17.482 8.046 14 2HA GLY 2 HA2 GLY 2 8.425 18.511 6.715 15 H ASP 3 HN ASP 3 7.926 15.579 5.389 16 HA ASP 3 HA ASP 3 5.306 16.380 4.373 17 1HB ASP 3 HB1 ASP 3 7.081 14.117 3.435 18 2HB ASP 3 HB2 ASP 3 5.676 14.775 2.600 19 H VAL 4 HN VAL 4 3.609 14.756 4.114 20 HA VAL 4 HA VAL 4 3.544 12.931 6.414 21 HB VAL 4 HB VAL 4 1.067 13.195 4.876 22 1HG1 VAL 4 HG21 VAL 4 0.468 12.314 6.836 23 2HG1 VAL 4 HG22 VAL 4 0.651 13.933 7.512 24 3HG1 VAL 4 HG23 VAL 4 1.990 12.786 7.595 25 1HG2 VAL 4 HG11 VAL 4 2.478 15.602 5.870 26 2HG2 VAL 4 HG12 VAL 4 0.751 15.483 6.210 27 3HG2 VAL 4 HG13 VAL 4 1.329 15.428 4.544 28 H VAL 5 HN VAL 5 3.861 10.830 6.071 29 HA VAL 5 HA VAL 5 3.328 9.764 3.372 30 HB VAL 5 HB VAL 5 5.495 8.989 5.325 31 1HG1 VAL 5 HG11 VAL 5 6.160 7.503 3.280 32 2HG1 VAL 5 HG12 VAL 5 4.439 7.594 2.907 33 3HG1 VAL 5 HG13 VAL 5 4.973 6.925 4.451 34 1HG2 VAL 5 HG21 VAL 5 5.482 10.332 2.641 35 2HG2 VAL 5 HG22 VAL 5 6.925 9.553 3.292 36 3HG2 VAL 5 HG23 VAL 5 6.183 10.901 4.156 37 H ALA 6 HN ALA 6 1.784 8.259 3.274 38 HA ALA 6 HA ALA 6 0.927 6.923 5.740 39 1HB ALA 6 HB1 ALA 6 -1.038 7.560 4.830 40 2HB ALA 6 HB2 ALA 6 -0.847 6.079 3.892 41 3HB ALA 6 HB3 ALA 6 -0.380 7.629 3.196 42 H THR 7 HN THR 7 0.271 4.531 5.418 43 HA THR 7 HA THR 7 1.985 3.190 3.479 44 HB THR 7 HB THR 7 2.096 2.370 6.369 45 HG1 THR 7 HG1 THR 7 3.873 3.580 6.608 46 1HG2 THR 7 HG21 THR 7 4.264 1.361 5.582 47 2HG2 THR 7 HG22 THR 7 3.700 1.663 3.934 48 3HG2 THR 7 HG23 THR 7 2.786 0.592 5.001 49 H ILE 8 HN ILE 8 1.170 1.454 2.634 50 HA ILE 8 HA ILE 8 -1.192 0.179 3.854 51 HB ILE 8 HB ILE 8 -0.709 0.517 0.896 52 1HG1 ILE 8 HG12 ILE 8 -0.990 2.694 2.279 53 2HG1 ILE 8 HG11 ILE 8 -1.986 2.475 0.846 54 1HG2 ILE 8 HG21 ILE 8 -3.340 0.261 1.106 55 2HG2 ILE 8 HG22 ILE 8 -2.867 -0.612 2.565 56 3HG2 ILE 8 HG23 ILE 8 -2.255 -1.126 0.992 57 1HD1 ILE 8 HD11 ILE 8 -3.912 2.232 2.050 58 2HD1 ILE 8 HD12 ILE 8 -3.013 3.341 3.087 59 3HD1 ILE 8 HD13 ILE 8 -3.072 1.622 3.477 60 H LYS 9 HN LYS 9 -0.483 -1.786 4.538 61 HA LYS 9 HA LYS 9 1.578 -3.197 3.010 62 1HB LYS 9 HB1 LYS 9 0.617 -4.430 5.492 63 2HB LYS 9 HB2 LYS 9 2.255 -4.139 4.930 64 1HG LYS 9 HG2 LYS 9 0.790 -1.717 5.704 65 2HG LYS 9 HG1 LYS 9 1.071 -2.861 7.010 66 1HD LYS 9 HD2 LYS 9 3.295 -2.057 5.184 67 2HD LYS 9 HD1 LYS 9 2.830 -1.047 6.552 68 1HE LYS 9 HE1 LYS 9 3.134 -3.005 8.040 69 2HE LYS 9 HE2 LYS 9 3.738 -3.916 6.656 70 1HZ LYS 9 HZ1 LYS 9 5.569 -3.044 7.913 71 2HZ LYS 9 HZ2 LYS 9 4.951 -1.472 7.827 72 3HZ LYS 9 HZ3 LYS 9 5.504 -2.240 6.426 73 H VAL 10 HN VAL 10 0.510 -4.143 1.317 74 HA VAL 10 HA VAL 10 -1.858 -5.745 1.847 75 HB VAL 10 HB VAL 10 -2.468 -5.401 -0.276 76 1HG1 VAL 10 HG21 VAL 10 -0.769 -3.298 0.552 77 2HG1 VAL 10 HG22 VAL 10 -2.134 -3.230 -0.565 78 3HG1 VAL 10 HG23 VAL 10 -0.510 -3.542 -1.176 79 1HG2 VAL 10 HG11 VAL 10 0.334 -6.146 -0.992 80 2HG2 VAL 10 HG12 VAL 10 -0.730 -5.419 -2.196 81 3HG2 VAL 10 HG13 VAL 10 -1.185 -6.936 -1.421 82 H MET 11 HN MET 11 -2.006 -7.927 1.767 83 HA MET 11 HA MET 11 0.181 -9.489 0.674 84 1HB MET 11 HB2 MET 11 1.156 -10.016 2.606 85 2HB MET 11 HB1 MET 11 0.018 -8.989 3.466 86 1HG MET 11 HG1 MET 11 -0.783 -10.770 4.486 87 2HG MET 11 HG2 MET 11 -1.325 -11.406 2.937 88 1HE MET 11 HE1 MET 11 -1.335 -13.407 4.289 89 2HE MET 11 HE2 MET 11 0.056 -14.375 4.779 90 3HE MET 11 HE3 MET 11 -0.481 -14.391 3.099 91 HA PRO 12 HA PRO 12 -3.504 -11.765 -0.540 92 1HB PRO 12 HB1 PRO 12 -1.540 -13.474 -1.922 93 2HB PRO 12 HB2 PRO 12 -2.879 -12.536 -2.590 94 1HG PRO 12 HG1 PRO 12 -0.348 -11.784 -2.984 95 2HG PRO 12 HG2 PRO 12 -1.628 -10.585 -2.710 96 1HD PRO 12 HD2 PRO 12 0.378 -11.685 -0.754 97 2HD PRO 12 HD1 PRO 12 -0.087 -9.993 -1.047 98 H GLU 13 HN GLU 13 -4.415 -13.152 0.800 99 HA GLU 13 HA GLU 13 -3.085 -14.730 2.680 100 1HB GLU 13 HB1 GLU 13 -5.873 -14.596 1.637 101 2HB GLU 13 HB2 GLU 13 -5.417 -16.003 2.588 102 1HG GLU 13 HG2 GLU 13 -5.348 -14.849 4.509 103 2HG GLU 13 HG1 GLU 13 -4.647 -13.422 3.749 104 H SER 14 HN SER 14 -3.958 -15.356 -0.623 105 HA SER 14 HA SER 14 -3.603 -18.202 -0.454 106 1HB SER 14 HB2 SER 14 -4.584 -16.329 -2.392 107 2HB SER 14 HB1 SER 14 -3.346 -17.333 -3.147 108 HG SER 14 HG SER 14 -5.861 -18.004 -2.254 109 HA PRO 15 HA PRO 15 0.771 -18.443 -0.919 110 1HB PRO 15 HB2 PRO 15 1.016 -20.706 -2.421 111 2HB PRO 15 HB1 PRO 15 0.625 -20.720 -0.698 112 1HG PRO 15 HG2 PRO 15 -1.198 -20.973 -3.058 113 2HG PRO 15 HG1 PRO 15 -1.205 -21.883 -1.536 114 1HD PRO 15 HD2 PRO 15 -2.919 -19.852 -2.004 115 2HD PRO 15 HD1 PRO 15 -2.276 -20.191 -0.384 116 H ASP 16 HN ASP 16 -1.319 -17.925 -3.518 117 HA ASP 16 HA ASP 16 0.803 -17.735 -5.511 118 1HB ASP 16 HB2 ASP 16 -1.760 -18.549 -5.772 119 2HB ASP 16 HB1 ASP 16 -1.944 -16.845 -6.178 120 H VAL 17 HN VAL 17 0.948 -15.975 -3.295 121 HA VAL 17 HA VAL 17 -0.114 -13.429 -3.923 122 HB VAL 17 HB VAL 17 0.354 -13.276 -1.760 123 1HG1 VAL 17 HG11 VAL 17 2.624 -14.577 -0.983 124 2HG1 VAL 17 HG12 VAL 17 2.020 -15.577 -2.305 125 3HG1 VAL 17 HG13 VAL 17 0.978 -15.214 -0.928 126 1HG2 VAL 17 HG21 VAL 17 3.198 -12.759 -2.595 127 2HG2 VAL 17 HG22 VAL 17 2.387 -12.176 -1.139 128 3HG2 VAL 17 HG23 VAL 17 1.882 -11.590 -2.726 129 H ASP 18 HN ASP 18 0.356 -13.035 -6.045 130 HA ASP 18 HA ASP 18 3.002 -13.082 -7.146 131 1HB ASP 18 HB1 ASP 18 0.370 -11.961 -8.093 132 2HB ASP 18 HB2 ASP 18 1.861 -11.739 -9.002 133 H LEU 19 HN LEU 19 4.467 -11.788 -6.281 134 HA LEU 19 HA LEU 19 3.964 -9.363 -4.984 135 1HB LEU 19 HB1 LEU 19 6.108 -11.013 -5.248 136 2HB LEU 19 HB2 LEU 19 6.607 -9.676 -6.265 137 HG LEU 19 HG LEU 19 5.606 -9.068 -3.523 138 1HD1 LEU 19 HD21 LEU 19 8.181 -9.267 -2.959 139 2HD1 LEU 19 HD22 LEU 19 8.102 -10.536 -4.181 140 3HD1 LEU 19 HD23 LEU 19 7.078 -10.626 -2.749 141 1HD2 LEU 19 HD11 LEU 19 7.229 -7.264 -3.701 142 2HD2 LEU 19 HD12 LEU 19 6.141 -7.267 -5.090 143 3HD2 LEU 19 HD13 LEU 19 7.781 -7.897 -5.251 144 H GLU 20 HN GLU 20 5.312 -9.918 -8.245 145 HA GLU 20 HA GLU 20 5.379 -7.155 -8.867 146 1HB GLU 20 HB2 GLU 20 5.935 -7.826 -11.117 147 2HB GLU 20 HB1 GLU 20 6.816 -8.826 -9.972 148 1HG GLU 20 HG1 GLU 20 5.408 -10.684 -10.375 149 2HG GLU 20 HG2 GLU 20 4.235 -9.688 -11.241 150 H ALA 21 HN ALA 21 2.962 -9.666 -9.356 151 HA ALA 21 HA ALA 21 1.336 -8.112 -11.123 152 1HB ALA 21 HB1 ALA 21 0.270 -10.254 -9.320 153 2HB ALA 21 HB2 ALA 21 1.238 -10.646 -10.742 154 3HB ALA 21 HB3 ALA 21 -0.288 -9.778 -10.924 155 H LEU 22 HN LEU 22 1.672 -8.501 -7.693 156 HA LEU 22 HA LEU 22 -0.615 -7.005 -6.900 157 1HB LEU 22 HB2 LEU 22 1.090 -8.596 -5.577 158 2HB LEU 22 HB1 LEU 22 1.847 -7.060 -5.221 159 HG LEU 22 HG LEU 22 0.267 -6.484 -3.722 160 1HD1 LEU 22 HD21 LEU 22 -1.479 -6.140 -5.391 161 2HD1 LEU 22 HD22 LEU 22 -2.133 -6.911 -3.944 162 3HD1 LEU 22 HD23 LEU 22 -1.828 -7.870 -5.392 163 1HD2 LEU 22 HD11 LEU 22 0.321 -9.399 -3.947 164 2HD2 LEU 22 HD12 LEU 22 -1.063 -8.752 -3.063 165 3HD2 LEU 22 HD13 LEU 22 0.577 -8.357 -2.548 166 H LYS 23 HN LYS 23 2.658 -6.287 -7.801 167 HA LYS 23 HA LYS 23 2.926 -3.656 -6.912 168 1HB LYS 23 HB2 LYS 23 4.219 -5.417 -8.851 169 2HB LYS 23 HB1 LYS 23 4.217 -3.743 -9.379 170 1HG LYS 23 HG2 LYS 23 6.100 -3.596 -8.196 171 2HG LYS 23 HG1 LYS 23 5.028 -3.484 -6.798 172 1HD LYS 23 HD1 LYS 23 5.474 -5.611 -6.117 173 2HD LYS 23 HD2 LYS 23 5.759 -6.193 -7.759 174 1HE LYS 23 HE2 LYS 23 7.778 -6.067 -6.227 175 2HE LYS 23 HE1 LYS 23 7.935 -5.308 -7.810 176 1HZ LYS 23 HZ1 LYS 23 8.202 -3.307 -6.895 177 2HZ LYS 23 HZ2 LYS 23 8.499 -4.126 -5.445 178 3HZ LYS 23 HZ3 LYS 23 6.952 -3.530 -5.776 179 H LYS 24 HN LYS 24 1.619 -4.957 -9.935 180 HA LYS 24 HA LYS 24 1.001 -2.446 -11.091 181 1HB LYS 24 HB1 LYS 24 -0.582 -4.905 -11.732 182 2HB LYS 24 HB2 LYS 24 -0.004 -3.641 -12.809 183 1HG LYS 24 HG1 LYS 24 2.351 -4.582 -12.133 184 2HG LYS 24 HG2 LYS 24 1.417 -6.028 -11.746 185 1HD LYS 24 HD1 LYS 24 1.005 -4.675 -14.375 186 2HD LYS 24 HD2 LYS 24 2.419 -5.704 -14.141 187 1HE LYS 24 HE2 LYS 24 0.717 -7.433 -13.249 188 2HE LYS 24 HE1 LYS 24 -0.484 -6.436 -14.069 189 1HZ LYS 24 HZ1 LYS 24 1.269 -6.700 -16.018 190 2HZ LYS 24 HZ2 LYS 24 0.033 -7.825 -15.758 191 3HZ LYS 24 HZ3 LYS 24 1.596 -8.141 -15.193 192 H GLU 25 HN GLU 25 -0.881 -4.749 -9.157 193 HA GLU 25 HA GLU 25 -3.344 -3.344 -9.355 194 1HB GLU 25 HB1 GLU 25 -2.392 -5.250 -7.207 195 2HB GLU 25 HB2 GLU 25 -4.056 -4.744 -7.462 196 1HG GLU 25 HG2 GLU 25 -2.840 -5.846 -9.860 197 2HG GLU 25 HG1 GLU 25 -2.851 -6.982 -8.510 198 H ILE 26 HN ILE 26 -0.541 -3.011 -7.381 199 HA ILE 26 HA ILE 26 -1.629 -1.594 -5.220 200 HB ILE 26 HB ILE 26 1.076 -2.017 -6.339 201 1HG1 ILE 26 HG11 ILE 26 0.516 -1.847 -3.432 202 2HG1 ILE 26 HG12 ILE 26 -0.341 -3.103 -4.320 203 1HG2 ILE 26 HG21 ILE 26 0.363 0.401 -4.715 204 2HG2 ILE 26 HG22 ILE 26 1.356 0.293 -6.170 205 3HG2 ILE 26 HG23 ILE 26 1.969 -0.323 -4.633 206 1HD1 ILE 26 HD11 ILE 26 1.771 -3.999 -5.116 207 2HD1 ILE 26 HD12 ILE 26 1.727 -3.936 -3.353 208 3HD1 ILE 26 HD13 ILE 26 2.641 -2.727 -4.256 209 H GLN 27 HN GLN 27 -0.245 -0.481 -8.292 210 HA GLN 27 HA GLN 27 -0.396 2.270 -7.690 211 1HB GLN 27 HB1 GLN 27 -0.551 1.115 -10.463 212 2HB GLN 27 HB2 GLN 27 0.118 2.663 -9.966 213 1HG GLN 27 HG2 GLN 27 1.295 -0.063 -9.777 214 2HG GLN 27 HG1 GLN 27 2.008 1.443 -10.339 215 1HE2 GLN 27 HE22 GLN 27 1.419 3.081 -8.172 216 2HE2 GLN 27 HE21 GLN 27 2.360 2.555 -6.822 217 H GLU 28 HN GLU 28 -2.693 0.004 -9.061 218 HA GLU 28 HA GLU 28 -4.541 2.066 -9.853 219 1HB GLU 28 HB2 GLU 28 -6.026 0.322 -10.487 220 2HB GLU 28 HB1 GLU 28 -4.403 -0.126 -10.985 221 1HG GLU 28 HG2 GLU 28 -4.875 -2.073 -10.067 222 2HG GLU 28 HG1 GLU 28 -4.524 -1.265 -8.545 223 H ARG 29 HN ARG 29 -3.824 0.351 -6.983 224 HA ARG 29 HA ARG 29 -6.396 0.946 -5.764 225 1HB ARG 29 HB2 ARG 29 -5.794 -0.450 -4.015 226 2HB ARG 29 HB1 ARG 29 -5.021 -1.204 -5.400 227 1HG ARG 29 HG1 ARG 29 -3.057 -1.054 -4.435 228 2HG ARG 29 HG2 ARG 29 -3.229 0.691 -4.259 229 1HD ARG 29 HD1 ARG 29 -4.858 -0.665 -2.317 230 2HD ARG 29 HD2 ARG 29 -3.195 -1.245 -2.224 231 HE ARG 29 HE ARG 29 -4.144 1.250 -1.330 232 1HH1 ARG 29 HH12 ARG 29 -1.445 -0.138 -3.046 233 2HH1 ARG 29 HH11 ARG 29 -0.333 1.094 -2.552 234 1HH2 ARG 29 HH22 ARG 29 -2.683 2.874 -0.677 235 2HH2 ARG 29 HH21 ARG 29 -1.036 2.803 -1.207 236 H ILE 30 HN ILE 30 -3.370 2.404 -6.159 237 HA ILE 30 HA ILE 30 -3.017 3.779 -3.748 238 HB ILE 30 HB ILE 30 -2.228 4.479 -6.567 239 1HG1 ILE 30 HG11 ILE 30 -1.151 2.546 -5.358 240 2HG1 ILE 30 HG12 ILE 30 -0.036 3.793 -5.898 241 1HG2 ILE 30 HG21 ILE 30 -2.419 6.298 -4.409 242 2HG2 ILE 30 HG22 ILE 30 -1.706 6.559 -6.002 243 3HG2 ILE 30 HG23 ILE 30 -0.705 5.972 -4.674 244 1HD1 ILE 30 HD11 ILE 30 -1.112 3.841 -3.114 245 2HD1 ILE 30 HD12 ILE 30 0.384 4.526 -3.750 246 3HD1 ILE 30 HD13 ILE 30 0.232 2.781 -3.543 247 HA PRO 31 HA PRO 31 -6.419 6.613 -3.450 248 1HB PRO 31 HB2 PRO 31 -4.921 8.763 -2.457 249 2HB PRO 31 HB1 PRO 31 -5.718 7.519 -1.498 250 1HG PRO 31 HG2 PRO 31 -2.868 7.719 -2.356 251 2HG PRO 31 HG1 PRO 31 -3.546 7.122 -0.829 252 1HD PRO 31 HD1 PRO 31 -2.641 5.424 -2.671 253 2HD PRO 31 HD2 PRO 31 -4.117 5.063 -1.750 254 H GLU 32 HN GLU 32 -7.229 7.479 -5.237 255 HA GLU 32 HA GLU 32 -5.782 8.542 -7.373 256 1HB GLU 32 HB1 GLU 32 -8.649 8.580 -6.548 257 2HB GLU 32 HB2 GLU 32 -8.140 9.644 -7.853 258 1HG GLU 32 HG2 GLU 32 -7.210 7.665 -9.027 259 2HG GLU 32 HG1 GLU 32 -7.894 6.649 -7.759 260 H GLY 33 HN GLY 33 -6.079 9.920 -4.386 261 1HA GLY 33 HA1 GLY 33 -6.458 12.658 -5.219 262 2HA GLY 33 HA2 GLY 33 -6.077 12.103 -3.597 263 H THR 34 HN THR 34 -3.731 10.948 -3.667 264 HA THR 34 HA THR 34 -1.953 12.996 -4.805 265 HB THR 34 HB THR 34 -0.982 11.193 -2.653 266 HG1 THR 34 HG1 THR 34 -2.204 13.308 -1.550 267 1HG2 THR 34 HG21 THR 34 0.590 12.727 -2.505 268 2HG2 THR 34 HG22 THR 34 -0.617 13.948 -2.106 269 3HG2 THR 34 HG23 THR 34 -0.187 13.650 -3.790 270 H GLU 35 HN GLU 35 0.310 11.121 -3.951 271 HA GLU 35 HA GLU 35 0.106 9.139 -6.107 272 1HB GLU 35 HB1 GLU 35 2.172 11.281 -5.764 273 2HB GLU 35 HB2 GLU 35 2.624 9.749 -6.496 274 1HG GLU 35 HG1 GLU 35 0.455 10.274 -7.951 275 2HG GLU 35 HG2 GLU 35 0.920 11.924 -7.538 276 H LEU 36 HN LEU 36 2.008 7.589 -6.005 277 HA LEU 36 HA LEU 36 2.083 6.491 -3.370 278 1HB LEU 36 HB1 LEU 36 3.625 4.795 -4.468 279 2HB LEU 36 HB2 LEU 36 1.992 4.906 -5.095 280 HG LEU 36 HG LEU 36 3.831 6.640 -6.538 281 1HD1 LEU 36 HD11 LEU 36 4.343 3.765 -7.072 282 2HD1 LEU 36 HD12 LEU 36 5.193 4.526 -5.729 283 3HD1 LEU 36 HD13 LEU 36 5.367 5.172 -7.361 284 1HD2 LEU 36 HD21 LEU 36 2.435 6.156 -8.210 285 2HD2 LEU 36 HD22 LEU 36 1.445 5.357 -6.990 286 3HD2 LEU 36 HD23 LEU 36 2.586 4.417 -7.953 287 H HIS 37 HN HIS 37 4.429 5.493 -2.805 288 HA HIS 37 HA HIS 37 6.379 7.695 -2.852 289 1HB HIS 37 HB1 HIS 37 5.233 7.704 -0.688 290 2HB HIS 37 HB2 HIS 37 5.601 6.002 -0.471 291 HD2 HIS 37 HD2 HIS 37 7.949 5.452 0.727 292 HE1 HIS 37 HE1 HIS 37 9.522 9.381 0.567 293 HE2 HIS 37 HE2 HIS 37 9.880 7.029 1.449 294 H LYS 38 HN LYS 38 6.356 4.566 -1.263 295 HA LYS 38 HA LYS 38 8.081 3.290 -3.150 296 1HB LYS 38 HB2 LYS 38 10.019 4.092 -2.351 297 2HB LYS 38 HB1 LYS 38 9.228 4.826 -0.967 298 1HG LYS 38 HG2 LYS 38 10.729 3.364 -0.001 299 2HG LYS 38 HG1 LYS 38 9.220 2.449 0.019 300 1HD LYS 38 HD1 LYS 38 9.893 1.079 -1.755 301 2HD LYS 38 HD2 LYS 38 11.162 2.200 -2.256 302 1HE LYS 38 HE1 LYS 38 11.602 1.360 0.453 303 2HE LYS 38 HE2 LYS 38 11.408 -0.048 -0.590 304 1HZ LYS 38 HZ1 LYS 38 13.349 0.338 -1.597 305 2HZ LYS 38 HZ2 LYS 38 13.702 1.319 -0.264 306 3HZ LYS 38 HZ3 LYS 38 13.102 2.009 -1.688 307 H ILE 39 HN ILE 39 7.794 1.143 -3.000 308 HA ILE 39 HA ILE 39 6.123 0.172 -0.830 309 HB ILE 39 HB ILE 39 6.991 -1.447 -3.198 310 1HG1 ILE 39 HG11 ILE 39 4.877 0.697 -3.011 311 2HG1 ILE 39 HG12 ILE 39 6.135 0.509 -4.228 312 1HG2 ILE 39 HG21 ILE 39 4.706 -2.442 -2.786 313 2HG2 ILE 39 HG22 ILE 39 4.662 -1.501 -1.294 314 3HG2 ILE 39 HG23 ILE 39 5.906 -2.730 -1.525 315 1HD1 ILE 39 HD11 ILE 39 4.801 -1.757 -4.653 316 2HD1 ILE 39 HD12 ILE 39 4.391 -0.235 -5.441 317 3HD1 ILE 39 HD13 ILE 39 3.487 -0.765 -4.022 318 H ASP 40 HN ASP 40 6.520 -1.870 0.217 319 HA ASP 40 HA ASP 40 9.385 -2.519 0.465 320 1HB ASP 40 HB1 ASP 40 7.824 -1.351 2.406 321 2HB ASP 40 HB2 ASP 40 7.719 -3.060 2.818 322 H GLU 41 HN GLU 41 9.775 -4.533 -0.211 323 HA GLU 41 HA GLU 41 7.654 -6.496 -0.325 324 1HB GLU 41 HB1 GLU 41 10.587 -6.899 -0.938 325 2HB GLU 41 HB2 GLU 41 9.240 -7.895 -1.472 326 1HG GLU 41 HG1 GLU 41 8.815 -6.584 -3.219 327 2HG GLU 41 HG2 GLU 41 8.986 -5.108 -2.270 328 H GLU 42 HN GLU 42 7.391 -6.371 2.077 329 HA GLU 42 HA GLU 42 9.404 -7.866 3.588 330 1HB GLU 42 HB1 GLU 42 7.402 -5.852 4.234 331 2HB GLU 42 HB2 GLU 42 7.327 -7.232 5.324 332 1HG GLU 42 HG2 GLU 42 9.934 -6.874 5.405 333 2HG GLU 42 HG1 GLU 42 9.486 -5.234 4.930 334 HA PRO 43 HA PRO 43 6.793 -11.421 3.229 335 1HB PRO 43 HB1 PRO 43 8.311 -13.149 4.657 336 2HB PRO 43 HB2 PRO 43 8.745 -12.597 3.038 337 1HG PRO 43 HG2 PRO 43 9.909 -11.875 5.651 338 2HG PRO 43 HG1 PRO 43 10.638 -11.812 4.039 339 1HD PRO 43 HD1 PRO 43 9.549 -9.651 5.542 340 2HD PRO 43 HD2 PRO 43 10.177 -9.604 3.886 341 H ILE 44 HN ILE 44 5.456 -12.799 4.412 342 HA ILE 44 HA ILE 44 4.998 -11.984 7.206 343 HB ILE 44 HB ILE 44 2.744 -12.872 5.457 344 1HG1 ILE 44 HG12 ILE 44 3.982 -11.132 4.183 345 2HG1 ILE 44 HG11 ILE 44 2.372 -10.603 4.659 346 1HG2 ILE 44 HG21 ILE 44 2.470 -10.645 7.367 347 2HG2 ILE 44 HG22 ILE 44 2.876 -12.210 8.071 348 3HG2 ILE 44 HG23 ILE 44 1.424 -12.036 7.084 349 1HD1 ILE 44 HD11 ILE 44 3.910 -9.722 6.740 350 2HD1 ILE 44 HD12 ILE 44 3.417 -8.753 5.352 351 3HD1 ILE 44 HD13 ILE 44 4.998 -9.537 5.363 352 H ALA 45 HN ALA 45 3.304 -14.387 5.249 353 HA ALA 45 HA ALA 45 3.409 -16.351 7.290 354 1HB ALA 45 HB1 ALA 45 2.791 -16.845 4.386 355 2HB ALA 45 HB2 ALA 45 1.639 -16.132 5.516 356 3HB ALA 45 HB3 ALA 45 2.242 -17.768 5.785 357 H PHE 46 HN PHE 46 3.929 -18.628 5.466 358 HA PHE 46 HA PHE 46 6.714 -18.911 6.005 359 1HB PHE 46 HB1 PHE 46 6.496 -21.115 5.005 360 2HB PHE 46 HB2 PHE 46 5.127 -20.810 6.066 361 HD1 PHE 46 HD1 PHE 46 6.199 -21.477 2.680 362 HD2 PHE 46 HD2 PHE 46 2.906 -20.312 5.112 363 HE1 PHE 46 HE1 PHE 46 4.654 -22.028 0.845 364 HE2 PHE 46 HE2 PHE 46 1.356 -20.860 3.282 365 HZ PHE 46 HZ PHE 46 2.229 -21.719 1.145 366 H GLY 47 HN GLY 47 4.814 -18.038 3.214 367 1HA GLY 47 HA1 GLY 47 7.263 -17.253 1.834 368 2HA GLY 47 HA2 GLY 47 6.253 -18.441 1.025 369 H LEU 48 HN LEU 48 4.290 -16.421 2.808 370 HA LEU 48 HA LEU 48 3.495 -14.996 0.395 371 1HB LEU 48 HB2 LEU 48 2.102 -14.808 3.044 372 2HB LEU 48 HB1 LEU 48 1.440 -14.561 1.442 373 HG LEU 48 HG LEU 48 2.029 -17.145 2.853 374 1HD1 LEU 48 HD11 LEU 48 -0.341 -17.279 1.411 375 2HD1 LEU 48 HD12 LEU 48 -0.303 -15.637 2.053 376 3HD1 LEU 48 HD13 LEU 48 -0.170 -17.014 3.147 377 1HD2 LEU 48 HD21 LEU 48 1.510 -16.893 -0.104 378 2HD2 LEU 48 HD22 LEU 48 1.746 -18.379 0.816 379 3HD2 LEU 48 HD23 LEU 48 3.083 -17.248 0.608 380 H VAL 49 HN VAL 49 4.750 -13.276 0.039 381 HA VAL 49 HA VAL 49 5.584 -11.576 2.240 382 HB VAL 49 HB VAL 49 6.274 -11.553 -0.698 383 1HG1 VAL 49 HG21 VAL 49 8.088 -10.024 0.901 384 2HG1 VAL 49 HG22 VAL 49 6.449 -9.407 1.115 385 3HG1 VAL 49 HG23 VAL 49 7.146 -9.522 -0.501 386 1HG2 VAL 49 HG11 VAL 49 7.569 -13.248 -0.003 387 2HG2 VAL 49 HG12 VAL 49 7.427 -12.795 1.695 388 3HG2 VAL 49 HG13 VAL 49 8.586 -11.967 0.655 389 H ALA 50 HN ALA 50 4.761 -9.652 2.723 390 HA ALA 50 HA ALA 50 2.615 -8.560 1.063 391 1HB ALA 50 HB1 ALA 50 2.256 -8.883 3.510 392 2HB ALA 50 HB2 ALA 50 1.999 -7.228 2.952 393 3HB ALA 50 HB3 ALA 50 3.487 -7.652 3.801 394 H LEU 51 HN LEU 51 2.594 -6.387 0.412 395 HA LEU 51 HA LEU 51 5.259 -5.139 0.316 396 1HB LEU 51 HB2 LEU 51 3.223 -4.311 -1.661 397 2HB LEU 51 HB1 LEU 51 4.945 -4.560 -1.858 398 HG LEU 51 HG LEU 51 2.823 -6.707 -1.804 399 1HD1 LEU 51 HD21 LEU 51 3.206 -5.172 -3.863 400 2HD1 LEU 51 HD22 LEU 51 3.091 -6.918 -4.085 401 3HD1 LEU 51 HD23 LEU 51 4.670 -6.132 -4.077 402 1HD2 LEU 51 HD11 LEU 51 5.236 -7.764 -2.723 403 2HD2 LEU 51 HD12 LEU 51 4.409 -8.129 -1.208 404 3HD2 LEU 51 HD13 LEU 51 5.638 -6.862 -1.261 405 H ASN 52 HN ASN 52 5.448 -3.411 1.502 406 HA ASN 52 HA ASN 52 3.093 -2.005 2.458 407 1HB ASN 52 HB1 ASN 52 5.959 -1.372 3.165 408 2HB ASN 52 HB2 ASN 52 4.505 -1.085 4.119 409 1HD2 ASN 52 HD22 ASN 52 7.062 -2.604 4.600 410 2HD2 ASN 52 HD21 ASN 52 6.538 -4.163 5.135 411 H VAL 53 HN VAL 53 2.391 -0.882 0.718 412 HA VAL 53 HA VAL 53 4.165 0.828 -0.776 413 HB VAL 53 HB VAL 53 1.167 0.772 -0.998 414 1HG1 VAL 53 HG21 VAL 53 1.467 1.636 -3.141 415 2HG1 VAL 53 HG22 VAL 53 3.159 1.146 -3.205 416 3HG1 VAL 53 HG23 VAL 53 2.670 2.494 -2.179 417 1HG2 VAL 53 HG11 VAL 53 2.325 -0.891 -2.965 418 2HG2 VAL 53 HG12 VAL 53 1.200 -1.333 -1.682 419 3HG2 VAL 53 HG13 VAL 53 2.938 -1.415 -1.397 420 H MET 54 HN MET 54 4.848 2.541 0.363 421 HA MET 54 HA MET 54 3.029 4.118 1.967 422 1HB MET 54 HB1 MET 54 5.942 4.503 1.241 423 2HB MET 54 HB2 MET 54 5.048 5.553 2.330 424 1HG MET 54 HG1 MET 54 5.605 4.232 4.008 425 2HG MET 54 HG2 MET 54 4.663 2.937 3.269 426 1HE MET 54 HE1 MET 54 6.495 1.715 4.960 427 2HE MET 54 HE2 MET 54 7.680 0.763 4.065 428 3HE MET 54 HE3 MET 54 5.974 0.682 3.629 429 H VAL 55 HN VAL 55 2.910 6.505 1.624 430 HA VAL 55 HA VAL 55 3.066 7.249 -1.209 431 HB VAL 55 HB VAL 55 0.851 8.053 -1.320 432 1HG1 VAL 55 HG11 VAL 55 0.819 5.408 0.120 433 2HG1 VAL 55 HG12 VAL 55 0.996 5.659 -1.618 434 3HG1 VAL 55 HG13 VAL 55 -0.520 6.071 -0.817 435 1HG2 VAL 55 HG21 VAL 55 -0.663 7.732 0.767 436 2HG2 VAL 55 HG22 VAL 55 0.391 9.143 0.664 437 3HG2 VAL 55 HG23 VAL 55 0.862 7.760 1.652 438 H VAL 56 HN VAL 56 3.626 9.340 -1.592 439 HA VAL 56 HA VAL 56 4.291 10.951 0.763 440 HB VAL 56 HB VAL 56 5.049 12.210 -1.713 441 1HG1 VAL 56 HG11 VAL 56 5.997 12.572 0.560 442 2HG1 VAL 56 HG12 VAL 56 7.210 12.269 -0.682 443 3HG1 VAL 56 HG13 VAL 56 6.762 10.987 0.443 444 1HG2 VAL 56 HG21 VAL 56 6.868 10.342 -2.103 445 2HG2 VAL 56 HG22 VAL 56 5.300 10.278 -2.908 446 3HG2 VAL 56 HG23 VAL 56 5.595 9.297 -1.474 447 H VAL 57 HN VAL 57 2.886 12.421 1.431 448 HA VAL 57 HA VAL 57 1.351 13.916 -0.582 449 HB VAL 57 HB VAL 57 -0.638 13.891 0.723 450 1HG1 VAL 57 HG21 VAL 57 0.417 11.631 -0.449 451 2HG1 VAL 57 HG22 VAL 57 -1.265 11.866 0.028 452 3HG1 VAL 57 HG23 VAL 57 -0.143 11.054 1.121 453 1HG2 VAL 57 HG11 VAL 57 0.680 12.187 2.816 454 2HG2 VAL 57 HG12 VAL 57 -0.872 13.021 2.892 455 3HG2 VAL 57 HG13 VAL 57 0.629 13.946 2.932 456 H GLY 58 HN GLY 58 0.888 16.076 -0.078 457 1HA GLY 58 HA2 GLY 58 1.648 17.242 2.426 458 2HA GLY 58 HA1 GLY 58 2.831 17.562 1.166 459 H ASP 59 HN ASP 59 1.923 18.493 -0.889 460 HA ASP 59 HA ASP 59 0.244 20.739 -0.201 461 1HB ASP 59 HB1 ASP 59 2.013 19.990 -2.449 462 2HB ASP 59 HB2 ASP 59 0.629 20.993 -2.875 463 H ALA 60 HN ALA 60 -0.388 17.644 -1.046 464 HA ALA 60 HA ALA 60 -2.420 17.907 -2.999 465 1HB ALA 60 HB1 ALA 60 -1.197 15.806 -2.419 466 2HB ALA 60 HB2 ALA 60 -2.949 15.634 -2.528 467 3HB ALA 60 HB3 ALA 60 -2.168 15.719 -0.950 468 H GLU 61 HN GLU 61 -4.418 16.280 -1.555 469 HA GLU 61 HA GLU 61 -5.475 18.099 0.454 470 1HB GLU 61 HB1 GLU 61 -7.742 17.731 -0.975 471 2HB GLU 61 HB2 GLU 61 -6.718 19.153 -1.115 472 1HG GLU 61 HG1 GLU 61 -5.497 17.756 -2.938 473 2HG GLU 61 HG2 GLU 61 -6.996 16.828 -2.960 474 H GLY 62 HN GLY 62 -8.044 17.068 0.607 475 1HA GLY 62 HA1 GLY 62 -7.502 14.517 1.858 476 2HA GLY 62 HA2 GLY 62 -9.031 15.386 1.872 477 H GLY 63 HN GLY 63 -7.633 15.088 -1.201 478 1HA GLY 63 HA2 GLY 63 -9.789 13.505 -2.180 479 2HA GLY 63 HA1 GLY 63 -8.373 14.001 -3.091 480 H THR 64 HN THR 64 -7.121 12.574 -0.457 481 HA THR 64 HA THR 64 -6.440 10.186 -1.883 482 HB THR 64 HB THR 64 -4.903 9.778 -0.219 483 HG1 THR 64 HG1 THR 64 -6.154 11.282 1.768 484 1HG2 THR 64 HG21 THR 64 -4.675 12.295 0.937 485 2HG2 THR 64 HG22 THR 64 -5.315 12.579 -0.682 486 3HG2 THR 64 HG23 THR 64 -3.813 11.678 -0.473 487 H GLU 65 HN GLU 65 -9.162 11.062 -0.288 488 HA GLU 65 HA GLU 65 -9.888 8.958 1.338 489 1HB GLU 65 HB1 GLU 65 -11.638 10.313 1.442 490 2HB GLU 65 HB2 GLU 65 -10.980 11.269 0.150 491 1HG GLU 65 HG2 GLU 65 -12.290 10.304 -1.440 492 2HG GLU 65 HG1 GLU 65 -12.535 8.828 -0.510 493 H ALA 66 HN ALA 66 -9.575 9.228 -2.063 494 HA ALA 66 HA ALA 66 -11.270 7.230 -2.993 495 1HB ALA 66 HB1 ALA 66 -9.201 7.030 -4.731 496 2HB ALA 66 HB2 ALA 66 -8.895 8.616 -4.020 497 3HB ALA 66 HB3 ALA 66 -10.443 8.281 -4.796 498 H ALA 67 HN ALA 67 -8.252 6.975 -1.304 499 HA ALA 67 HA ALA 67 -7.518 4.358 -2.029 500 1HB ALA 67 HB1 ALA 67 -6.772 4.720 0.653 501 2HB ALA 67 HB2 ALA 67 -6.683 6.313 -0.103 502 3HB ALA 67 HB3 ALA 67 -5.779 4.961 -0.785 503 H GLU 68 HN GLU 68 -9.291 5.524 0.832 504 HA GLU 68 HA GLU 68 -9.980 3.016 1.855 505 1HB GLU 68 HB1 GLU 68 -11.532 5.605 2.066 506 2HB GLU 68 HB2 GLU 68 -11.728 4.202 3.107 507 1HG GLU 68 HG2 GLU 68 -9.316 4.495 3.763 508 2HG GLU 68 HG1 GLU 68 -9.361 6.040 2.913 509 H GLU 69 HN GLU 69 -11.406 4.976 -0.666 510 HA GLU 69 HA GLU 69 -13.877 3.626 -0.896 511 1HB GLU 69 HB1 GLU 69 -12.663 5.802 -2.130 512 2HB GLU 69 HB2 GLU 69 -12.818 4.618 -3.422 513 1HG GLU 69 HG2 GLU 69 -15.185 4.475 -3.087 514 2HG GLU 69 HG1 GLU 69 -15.087 5.491 -1.649 515 H SER 70 HN SER 70 -10.814 3.295 -2.665 516 HA SER 70 HA SER 70 -11.603 1.059 -4.208 517 1HB SER 70 HB2 SER 70 -9.511 1.182 -5.100 518 2HB SER 70 HB1 SER 70 -9.458 2.730 -4.257 519 HG SER 70 HG SER 70 -7.804 0.786 -3.931 520 H LEU 71 HN LEU 71 -10.804 1.448 -0.944 521 HA LEU 71 HA LEU 71 -9.763 -1.159 -0.397 522 1HB LEU 71 HB1 LEU 71 -10.403 1.268 1.043 523 2HB LEU 71 HB2 LEU 71 -10.967 -0.137 1.921 524 HG LEU 71 HG LEU 71 -8.125 0.138 0.948 525 1HD1 LEU 71 HD21 LEU 71 -9.488 1.442 3.160 526 2HD1 LEU 71 HD22 LEU 71 -7.916 1.777 2.427 527 3HD1 LEU 71 HD23 LEU 71 -8.072 0.512 3.649 528 1HD2 LEU 71 HD11 LEU 71 -9.214 -1.524 3.200 529 2HD2 LEU 71 HD12 LEU 71 -7.650 -1.655 2.390 530 3HD2 LEU 71 HD13 LEU 71 -9.127 -2.121 1.543 531 H SER 72 HN SER 72 -12.930 0.316 -0.502 532 HA SER 72 HA SER 72 -14.390 -1.688 0.838 533 1HB SER 72 HB1 SER 72 -14.976 0.768 -0.162 534 2HB SER 72 HB2 SER 72 -15.748 -0.264 -1.369 535 HG SER 72 HG SER 72 -17.235 -0.742 0.030 536 H GLY 73 HN GLY 73 -12.745 -1.781 -2.065 537 1HA GLY 73 HA2 GLY 73 -13.930 -4.353 -2.741 538 2HA GLY 73 HA1 GLY 73 -14.025 -3.106 -3.978 539 H ILE 74 HN ILE 74 -11.408 -3.267 -1.750 540 HA ILE 74 HA ILE 74 -9.458 -3.353 -3.819 541 HB ILE 74 HB ILE 74 -9.366 -2.208 -1.507 542 1HG1 ILE 74 HG11 ILE 74 -6.849 -3.694 -2.190 543 2HG1 ILE 74 HG12 ILE 74 -7.515 -2.492 -3.293 544 1HG2 ILE 74 HG21 ILE 74 -9.732 -3.844 0.059 545 2HG2 ILE 74 HG22 ILE 74 -7.976 -3.702 0.090 546 3HG2 ILE 74 HG23 ILE 74 -8.736 -5.031 -0.785 547 1HD1 ILE 74 HD11 ILE 74 -7.170 -1.704 -0.461 548 2HD1 ILE 74 HD12 ILE 74 -6.993 -0.755 -1.938 549 3HD1 ILE 74 HD13 ILE 74 -5.723 -1.880 -1.454 550 H GLU 75 HN GLU 75 -7.430 -4.936 -2.813 551 HA GLU 75 HA GLU 75 -7.875 -7.398 -3.959 552 1HB GLU 75 HB2 GLU 75 -5.802 -6.128 -2.373 553 2HB GLU 75 HB1 GLU 75 -5.934 -7.844 -1.989 554 1HG GLU 75 HG2 GLU 75 -4.373 -7.789 -3.694 555 2HG GLU 75 HG1 GLU 75 -5.869 -8.205 -4.530 556 H GLY 76 HN GLY 76 -9.590 -8.606 -3.377 557 1HA GLY 76 HA1 GLY 76 -10.581 -8.886 -0.750 558 2HA GLY 76 HA2 GLY 76 -10.982 -9.919 -2.112 559 H VAL 77 HN VAL 77 -8.212 -10.731 -2.564 560 HA VAL 77 HA VAL 77 -8.101 -12.826 -0.553 561 HB VAL 77 HB VAL 77 -6.201 -12.433 -2.860 562 1HG1 VAL 77 HG21 VAL 77 -5.228 -14.087 -1.647 563 2HG1 VAL 77 HG22 VAL 77 -6.386 -15.079 -2.535 564 3HG1 VAL 77 HG23 VAL 77 -6.742 -14.570 -0.884 565 1HG2 VAL 77 HG11 VAL 77 -7.753 -14.244 -3.907 566 2HG2 VAL 77 HG12 VAL 77 -8.187 -12.538 -4.020 567 3HG2 VAL 77 HG13 VAL 77 -8.962 -13.567 -2.815 568 H SER 78 HN SER 78 -6.245 -10.063 -1.634 569 HA SER 78 HA SER 78 -4.219 -10.529 0.405 570 1HB SER 78 HB1 SER 78 -3.225 -9.890 -1.655 571 2HB SER 78 HB2 SER 78 -4.422 -8.626 -1.927 572 HG SER 78 HG SER 78 -2.623 -7.594 -1.220 573 H ASN 79 HN ASN 79 -5.254 -10.030 2.324 574 HA ASN 79 HA ASN 79 -6.689 -7.522 2.584 575 1HB ASN 79 HB2 ASN 79 -7.073 -9.723 3.982 576 2HB ASN 79 HB1 ASN 79 -5.785 -9.059 4.984 577 1HD2 ASN 79 HD21 ASN 79 -6.372 -6.305 4.832 578 2HD2 ASN 79 HD22 ASN 79 -7.891 -6.031 5.601 579 H ILE 80 HN ILE 80 -5.861 -5.679 3.156 580 HA ILE 80 HA ILE 80 -2.990 -5.591 3.590 581 HB ILE 80 HB ILE 80 -4.884 -3.332 3.005 582 1HG1 ILE 80 HG11 ILE 80 -3.458 -3.871 0.687 583 2HG1 ILE 80 HG12 ILE 80 -3.907 -5.465 1.285 584 1HG2 ILE 80 HG21 ILE 80 -2.245 -3.010 1.986 585 2HG2 ILE 80 HG22 ILE 80 -2.179 -3.394 3.705 586 3HG2 ILE 80 HG23 ILE 80 -3.128 -2.017 3.144 587 1HD1 ILE 80 HD11 ILE 80 -5.682 -4.934 -0.066 588 2HD1 ILE 80 HD12 ILE 80 -5.648 -3.228 0.377 589 3HD1 ILE 80 HD13 ILE 80 -6.268 -4.422 1.516 590 H GLU 81 HN GLU 81 -2.027 -4.353 5.170 591 HA GLU 81 HA GLU 81 -3.598 -3.887 7.582 592 1HB GLU 81 HB2 GLU 81 -1.185 -4.928 7.480 593 2HB GLU 81 HB1 GLU 81 -0.672 -3.255 7.303 594 1HG GLU 81 HG1 GLU 81 -0.613 -3.222 9.524 595 2HG GLU 81 HG2 GLU 81 -2.371 -3.111 9.435 596 H VAL 82 HN VAL 82 -4.787 -2.353 6.240 597 HA VAL 82 HA VAL 82 -3.486 -0.002 5.284 598 HB VAL 82 HB VAL 82 -6.435 -0.649 5.545 599 1HG1 VAL 82 HG21 VAL 82 -6.576 1.583 5.099 600 2HG1 VAL 82 HG22 VAL 82 -6.249 1.049 3.447 601 3HG1 VAL 82 HG23 VAL 82 -4.934 1.667 4.461 602 1HG2 VAL 82 HG11 VAL 82 -6.072 -0.962 2.994 603 2HG2 VAL 82 HG12 VAL 82 -5.665 -2.264 4.115 604 3HG2 VAL 82 HG13 VAL 82 -4.391 -1.233 3.457 605 H THR 83 HN THR 83 -2.891 -0.203 7.908 606 HA THR 83 HA THR 83 -4.257 2.134 9.018 607 HB THR 83 HB THR 83 -3.329 -0.058 10.845 608 HG1 THR 83 HG1 THR 83 -5.977 -0.151 10.482 609 1HG2 THR 83 HG21 THR 83 -4.009 1.424 12.339 610 2HG2 THR 83 HG22 THR 83 -5.651 1.036 11.823 611 3HG2 THR 83 HG23 THR 83 -4.805 2.413 11.115 612 H ASP 84 HN ASP 84 -1.549 1.195 7.689 613 HA ASP 84 HA ASP 84 0.320 1.951 9.782 614 1HB ASP 84 HB1 ASP 84 0.717 0.085 8.079 615 2HB ASP 84 HB2 ASP 84 1.003 1.367 6.908 616 H VAL 85 HN VAL 85 1.566 3.781 9.776 617 HA VAL 85 HA VAL 85 1.200 5.750 7.664 618 HB VAL 85 HB VAL 85 -0.592 6.029 9.487 619 1HG1 VAL 85 HG11 VAL 85 0.940 5.706 11.393 620 2HG1 VAL 85 HG12 VAL 85 0.058 7.231 11.478 621 3HG1 VAL 85 HG13 VAL 85 1.748 7.216 10.972 622 1HG2 VAL 85 HG21 VAL 85 -0.724 8.284 9.035 623 2HG2 VAL 85 HG22 VAL 85 0.326 7.726 7.733 624 3HG2 VAL 85 HG23 VAL 85 1.021 8.518 9.147 625 H ARG 86 HN ARG 86 2.602 7.674 8.005 626 HA ARG 86 HA ARG 86 4.881 7.299 9.765 627 1HB ARG 86 HB1 ARG 86 5.030 7.142 6.770 628 2HB ARG 86 HB2 ARG 86 6.386 7.785 7.688 629 1HG ARG 86 HG2 ARG 86 5.775 5.444 9.006 630 2HG ARG 86 HG1 ARG 86 5.530 5.045 7.304 631 1HD ARG 86 HD2 ARG 86 7.864 6.456 7.222 632 2HD ARG 86 HD1 ARG 86 8.000 5.622 8.770 633 HE ARG 86 HE ARG 86 7.442 3.554 7.361 634 1HH1 ARG 86 HH22 ARG 86 9.262 6.301 6.221 635 2HH1 ARG 86 HH21 ARG 86 10.171 5.382 5.069 636 1HH2 ARG 86 HH12 ARG 86 8.638 2.338 5.846 637 2HH2 ARG 86 HH11 ARG 86 9.816 3.131 4.855 638 H ARG 87 HN ARG 87 4.341 9.196 10.775 639 HA ARG 87 HA ARG 87 3.829 11.607 9.299 640 1HB ARG 87 HB1 ARG 87 4.049 10.887 12.196 641 2HB ARG 87 HB2 ARG 87 4.129 12.579 11.726 642 1HG ARG 87 HG1 ARG 87 1.910 11.130 10.502 643 2HG ARG 87 HG2 ARG 87 1.845 11.185 12.265 644 1HD ARG 87 HD2 ARG 87 2.508 13.746 11.712 645 2HD ARG 87 HD1 ARG 87 1.547 13.346 10.289 646 HE ARG 87 HE ARG 87 -0.169 12.580 12.025 647 1HH1 ARG 87 HH12 ARG 87 2.066 15.213 12.493 648 2HH1 ARG 87 HH11 ARG 87 1.033 16.065 13.590 649 1HH2 ARG 87 HH22 ARG 87 -1.535 13.695 13.468 650 2HH2 ARG 87 HH21 ARG 87 -1.015 15.202 14.145 651 H LEU 88 HN LEU 88 5.659 11.988 8.048 652 HA LEU 88 HA LEU 88 8.266 12.169 9.289 653 1HB LEU 88 HB1 LEU 88 7.212 12.545 6.517 654 2HB LEU 88 HB2 LEU 88 8.767 13.228 6.935 655 HG LEU 88 HG LEU 88 9.573 10.980 7.548 656 1HD1 LEU 88 HD21 LEU 88 7.495 9.936 8.193 657 2HD1 LEU 88 HD22 LEU 88 8.219 9.026 6.866 658 3HD1 LEU 88 HD23 LEU 88 6.861 10.108 6.556 659 1HD2 LEU 88 HD11 LEU 88 10.297 10.987 5.453 660 2HD2 LEU 88 HD12 LEU 88 8.941 12.012 4.977 661 3HD2 LEU 88 HD13 LEU 88 8.778 10.254 4.935 662 H MET 89 HN MET 89 7.757 13.798 10.875 663 HA MET 89 HA MET 89 7.167 16.470 9.866 664 1HB MET 89 HB2 MET 89 7.444 15.408 12.682 665 2HB MET 89 HB1 MET 89 7.069 17.080 12.284 666 1HG MET 89 HG1 MET 89 4.936 16.612 11.701 667 2HG MET 89 HG2 MET 89 5.336 15.008 11.091 668 1HE MET 89 HE1 MET 89 6.308 13.241 12.628 669 2HE MET 89 HE2 MET 89 5.508 12.787 14.132 670 3HE MET 89 HE3 MET 89 6.880 13.896 14.162 Start of MODEL 26 1 1H MET 1 HT1 MET 1 12.349 18.409 5.953 2 2H MET 1 HT2 MET 1 12.039 18.574 7.632 3 3H MET 1 HT3 MET 1 11.142 19.500 6.501 4 HA MET 1 HA MET 1 10.450 17.268 5.557 5 1HB MET 1 HB2 MET 1 12.162 16.495 7.662 6 2HB MET 1 HB1 MET 1 10.534 16.089 8.189 7 1HG MET 1 HG1 MET 1 10.846 14.196 7.062 8 2HG MET 1 HG2 MET 1 10.530 15.170 5.627 9 1HE MET 1 HE1 MET 1 14.705 14.580 7.332 10 2HE MET 1 HE2 MET 1 13.681 13.153 7.497 11 3HE MET 1 HE3 MET 1 13.178 14.687 8.208 12 H GLY 2 HN GLY 2 8.320 17.458 5.541 13 1HA GLY 2 HA1 GLY 2 6.801 17.947 7.952 14 2HA GLY 2 HA2 GLY 2 6.792 19.292 6.818 15 H ASP 3 HN ASP 3 7.136 16.253 5.379 16 HA ASP 3 HA ASP 3 4.471 16.461 4.220 17 1HB ASP 3 HB1 ASP 3 7.017 15.132 3.471 18 2HB ASP 3 HB2 ASP 3 5.532 14.333 2.962 19 H VAL 4 HN VAL 4 3.118 14.555 3.998 20 HA VAL 4 HA VAL 4 3.303 12.830 6.372 21 HB VAL 4 HB VAL 4 0.755 12.856 4.906 22 1HG1 VAL 4 HG21 VAL 4 0.227 13.395 7.510 23 2HG1 VAL 4 HG22 VAL 4 1.794 12.593 7.644 24 3HG1 VAL 4 HG23 VAL 4 0.444 11.771 6.856 25 1HG2 VAL 4 HG11 VAL 4 0.312 15.066 6.378 26 2HG2 VAL 4 HG12 VAL 4 0.742 15.104 4.667 27 3HG2 VAL 4 HG13 VAL 4 1.984 15.350 5.895 28 H VAL 5 HN VAL 5 3.866 10.778 6.028 29 HA VAL 5 HA VAL 5 3.341 9.603 3.375 30 HB VAL 5 HB VAL 5 5.504 8.866 5.359 31 1HG1 VAL 5 HG11 VAL 5 4.472 6.988 3.971 32 2HG1 VAL 5 HG12 VAL 5 6.222 7.192 3.878 33 3HG1 VAL 5 HG13 VAL 5 5.195 7.784 2.572 34 1HG2 VAL 5 HG21 VAL 5 7.051 9.844 3.881 35 2HG2 VAL 5 HG22 VAL 5 5.733 11.011 3.996 36 3HG2 VAL 5 HG23 VAL 5 5.864 9.965 2.582 37 H ALA 6 HN ALA 6 1.674 8.227 3.400 38 HA ALA 6 HA ALA 6 1.019 6.785 5.862 39 1HB ALA 6 HB1 ALA 6 -0.509 7.821 3.683 40 2HB ALA 6 HB2 ALA 6 -1.074 7.114 5.196 41 3HB ALA 6 HB3 ALA 6 -0.772 6.082 3.799 42 H THR 7 HN THR 7 0.350 4.401 5.512 43 HA THR 7 HA THR 7 1.948 3.140 3.424 44 HB THR 7 HB THR 7 2.230 2.290 6.297 45 HG1 THR 7 HG1 THR 7 3.580 4.201 4.812 46 1HG2 THR 7 HG21 THR 7 2.763 0.476 4.900 47 2HG2 THR 7 HG22 THR 7 4.298 1.198 5.384 48 3HG2 THR 7 HG23 THR 7 3.648 1.508 3.772 49 H ILE 8 HN ILE 8 1.087 1.455 2.551 50 HA ILE 8 HA ILE 8 -1.230 0.144 3.818 51 HB ILE 8 HB ILE 8 -0.791 0.287 0.845 52 1HG1 ILE 8 HG12 ILE 8 -0.772 2.609 1.903 53 2HG1 ILE 8 HG11 ILE 8 -1.991 2.328 0.665 54 1HG2 ILE 8 HG21 ILE 8 -3.453 0.368 1.273 55 2HG2 ILE 8 HG22 ILE 8 -2.908 -0.560 2.675 56 3HG2 ILE 8 HG23 ILE 8 -2.513 -1.108 1.044 57 1HD1 ILE 8 HD11 ILE 8 -3.714 2.491 2.129 58 2HD1 ILE 8 HD12 ILE 8 -2.546 3.520 2.960 59 3HD1 ILE 8 HD13 ILE 8 -2.777 1.850 3.479 60 H LYS 9 HN LYS 9 -0.471 -1.791 4.563 61 HA LYS 9 HA LYS 9 1.577 -3.226 3.041 62 1HB LYS 9 HB1 LYS 9 0.568 -4.430 5.530 63 2HB LYS 9 HB2 LYS 9 2.215 -4.207 4.962 64 1HG LYS 9 HG2 LYS 9 0.855 -1.720 5.690 65 2HG LYS 9 HG1 LYS 9 1.064 -2.851 7.022 66 1HD LYS 9 HD2 LYS 9 3.327 -2.126 5.197 67 2HD LYS 9 HD1 LYS 9 2.915 -1.153 6.610 68 1HE LYS 9 HE2 LYS 9 3.250 -4.089 6.953 69 2HE LYS 9 HE1 LYS 9 4.693 -3.095 6.754 70 1HZ LYS 9 HZ1 LYS 9 4.200 -3.323 9.073 71 2HZ LYS 9 HZ2 LYS 9 2.610 -2.791 8.849 72 3HZ LYS 9 HZ3 LYS 9 3.900 -1.720 8.621 73 H VAL 10 HN VAL 10 0.485 -4.108 1.332 74 HA VAL 10 HA VAL 10 -1.880 -5.720 1.820 75 HB VAL 10 HB VAL 10 -2.467 -5.322 -0.302 76 1HG1 VAL 10 HG21 VAL 10 -0.810 -3.252 0.591 77 2HG1 VAL 10 HG22 VAL 10 -2.065 -3.168 -0.646 78 3HG1 VAL 10 HG23 VAL 10 -0.395 -3.502 -1.106 79 1HG2 VAL 10 HG11 VAL 10 -1.216 -6.862 -1.475 80 2HG2 VAL 10 HG12 VAL 10 0.320 -6.142 -0.991 81 3HG2 VAL 10 HG13 VAL 10 -0.685 -5.346 -2.202 82 H MET 11 HN MET 11 -2.040 -7.907 1.686 83 HA MET 11 HA MET 11 0.161 -9.442 0.593 84 1HB MET 11 HB2 MET 11 0.908 -10.482 2.480 85 2HB MET 11 HB1 MET 11 0.430 -8.946 3.182 86 1HG MET 11 HG1 MET 11 -1.255 -9.841 4.368 87 2HG MET 11 HG2 MET 11 -1.652 -11.026 3.127 88 1HE MET 11 HE1 MET 11 -1.291 -13.679 3.854 89 2HE MET 11 HE2 MET 11 0.437 -14.032 3.790 90 3HE MET 11 HE3 MET 11 -0.300 -13.004 2.562 91 HA PRO 12 HA PRO 12 -3.478 -11.699 -0.747 92 1HB PRO 12 HB1 PRO 12 -1.483 -13.453 -2.022 93 2HB PRO 12 HB2 PRO 12 -2.775 -12.501 -2.761 94 1HG PRO 12 HG1 PRO 12 -0.210 -11.802 -3.045 95 2HG PRO 12 HG2 PRO 12 -1.482 -10.579 -2.860 96 1HD PRO 12 HD2 PRO 12 0.418 -11.656 -0.793 97 2HD PRO 12 HD1 PRO 12 -0.031 -9.969 -1.130 98 H GLU 13 HN GLU 13 -4.466 -13.070 0.563 99 HA GLU 13 HA GLU 13 -3.238 -14.612 2.534 100 1HB GLU 13 HB1 GLU 13 -5.944 -14.312 1.441 101 2HB GLU 13 HB2 GLU 13 -5.627 -15.906 2.112 102 1HG GLU 13 HG2 GLU 13 -5.715 -15.156 4.202 103 2HG GLU 13 HG1 GLU 13 -4.686 -13.771 3.838 104 H SER 14 HN SER 14 -3.920 -15.337 -0.802 105 HA SER 14 HA SER 14 -3.545 -18.171 -0.525 106 1HB SER 14 HB1 SER 14 -4.143 -18.307 -2.731 107 2HB SER 14 HB2 SER 14 -4.764 -16.687 -2.418 108 HG SER 14 HG SER 14 -2.906 -15.829 -3.316 109 HA PRO 15 HA PRO 15 0.850 -18.368 -0.855 110 1HB PRO 15 HB2 PRO 15 1.183 -20.675 -2.253 111 2HB PRO 15 HB1 PRO 15 0.700 -20.645 -0.554 112 1HG PRO 15 HG2 PRO 15 -0.988 -20.995 -3.001 113 2HG PRO 15 HG1 PRO 15 -1.070 -21.856 -1.454 114 1HD PRO 15 HD2 PRO 15 -2.766 -19.842 -2.099 115 2HD PRO 15 HD1 PRO 15 -2.250 -20.162 -0.430 116 H ASP 16 HN ASP 16 -1.211 -17.948 -3.480 117 HA ASP 16 HA ASP 16 0.913 -17.800 -5.477 118 1HB ASP 16 HB2 ASP 16 -1.903 -18.262 -5.557 119 2HB ASP 16 HB1 ASP 16 -1.565 -16.802 -6.482 120 H VAL 17 HN VAL 17 1.020 -16.024 -3.248 121 HA VAL 17 HA VAL 17 0.021 -13.465 -3.930 122 HB VAL 17 HB VAL 17 0.409 -13.296 -1.755 123 1HG1 VAL 17 HG11 VAL 17 2.501 -14.655 -0.774 124 2HG1 VAL 17 HG12 VAL 17 2.136 -15.615 -2.208 125 3HG1 VAL 17 HG13 VAL 17 0.885 -15.330 -0.996 126 1HG2 VAL 17 HG21 VAL 17 2.316 -12.141 -1.085 127 2HG2 VAL 17 HG22 VAL 17 2.154 -11.762 -2.802 128 3HG2 VAL 17 HG23 VAL 17 3.338 -12.955 -2.270 129 H ASP 18 HN ASP 18 0.599 -13.189 -6.081 130 HA ASP 18 HA ASP 18 3.359 -13.114 -6.929 131 1HB ASP 18 HB1 ASP 18 0.703 -12.699 -8.198 132 2HB ASP 18 HB2 ASP 18 2.067 -11.852 -8.922 133 H LEU 19 HN LEU 19 4.487 -11.560 -5.832 134 HA LEU 19 HA LEU 19 3.389 -9.074 -5.067 135 1HB LEU 19 HB2 LEU 19 5.525 -8.471 -4.279 136 2HB LEU 19 HB1 LEU 19 5.338 -10.180 -3.967 137 HG LEU 19 HG LEU 19 7.554 -9.947 -4.643 138 1HD1 LEU 19 HD21 LEU 19 6.594 -10.573 -7.359 139 2HD1 LEU 19 HD22 LEU 19 5.968 -11.566 -6.043 140 3HD1 LEU 19 HD23 LEU 19 7.708 -11.451 -6.310 141 1HD2 LEU 19 HD11 LEU 19 7.647 -8.751 -7.146 142 2HD2 LEU 19 HD12 LEU 19 8.183 -8.062 -5.613 143 3HD2 LEU 19 HD13 LEU 19 6.550 -7.742 -6.201 144 H GLU 20 HN GLU 20 5.301 -10.056 -7.871 145 HA GLU 20 HA GLU 20 5.662 -7.439 -8.885 146 1HB GLU 20 HB1 GLU 20 7.104 -9.199 -9.664 147 2HB GLU 20 HB2 GLU 20 5.734 -10.150 -10.217 148 1HG GLU 20 HG1 GLU 20 6.412 -9.302 -12.203 149 2HG GLU 20 HG2 GLU 20 5.316 -8.011 -11.713 150 H ALA 21 HN ALA 21 3.182 -9.891 -9.328 151 HA ALA 21 HA ALA 21 1.768 -8.402 -11.324 152 1HB ALA 21 HB1 ALA 21 0.823 -10.638 -9.536 153 2HB ALA 21 HB2 ALA 21 1.464 -10.808 -11.170 154 3HB ALA 21 HB3 ALA 21 -0.071 -9.981 -10.906 155 H LEU 22 HN LEU 22 1.703 -8.667 -7.845 156 HA LEU 22 HA LEU 22 -0.655 -7.108 -7.459 157 1HB LEU 22 HB2 LEU 22 1.207 -8.541 -5.848 158 2HB LEU 22 HB1 LEU 22 1.101 -6.909 -5.222 159 HG LEU 22 HG LEU 22 -1.136 -8.905 -5.533 160 1HD1 LEU 22 HD11 LEU 22 0.641 -8.438 -3.474 161 2HD1 LEU 22 HD12 LEU 22 -0.898 -9.293 -3.365 162 3HD1 LEU 22 HD13 LEU 22 -0.818 -7.573 -2.992 163 1HD2 LEU 22 HD21 LEU 22 -2.715 -7.288 -4.964 164 2HD2 LEU 22 HD22 LEU 22 -1.713 -6.497 -6.189 165 3HD2 LEU 22 HD23 LEU 22 -1.481 -6.124 -4.479 166 H LYS 23 HN LYS 23 2.699 -6.478 -7.952 167 HA LYS 23 HA LYS 23 2.961 -3.904 -6.947 168 1HB LYS 23 HB2 LYS 23 4.406 -5.662 -8.741 169 2HB LYS 23 HB1 LYS 23 4.494 -4.000 -9.298 170 1HG LYS 23 HG1 LYS 23 4.984 -3.795 -6.591 171 2HG LYS 23 HG2 LYS 23 5.798 -5.291 -7.049 172 1HD LYS 23 HD1 LYS 23 6.329 -3.335 -9.046 173 2HD LYS 23 HD2 LYS 23 6.654 -2.621 -7.465 174 1HE LYS 23 HE2 LYS 23 7.790 -5.063 -7.170 175 2HE LYS 23 HE1 LYS 23 8.049 -4.781 -8.891 176 1HZ LYS 23 HZ1 LYS 23 8.923 -3.048 -6.647 177 2HZ LYS 23 HZ2 LYS 23 9.030 -2.604 -8.276 178 3HZ LYS 23 HZ3 LYS 23 9.909 -3.929 -7.701 179 H LYS 24 HN LYS 24 1.889 -4.982 -10.156 180 HA LYS 24 HA LYS 24 1.541 -2.334 -11.171 181 1HB LYS 24 HB2 LYS 24 0.300 -3.465 -12.995 182 2HB LYS 24 HB1 LYS 24 1.872 -4.170 -12.680 183 1HG LYS 24 HG1 LYS 24 0.976 -6.062 -11.652 184 2HG LYS 24 HG2 LYS 24 -0.626 -5.318 -11.524 185 1HD LYS 24 HD2 LYS 24 -1.173 -6.253 -13.463 186 2HD LYS 24 HD1 LYS 24 0.056 -5.261 -14.251 187 1HE LYS 24 HE2 LYS 24 1.483 -7.332 -13.073 188 2HE LYS 24 HE1 LYS 24 0.036 -8.105 -13.718 189 1HZ LYS 24 HZ1 LYS 24 0.979 -6.323 -15.645 190 2HZ LYS 24 HZ2 LYS 24 0.942 -8.013 -15.719 191 3HZ LYS 24 HZ3 LYS 24 2.308 -7.222 -15.108 192 H GLU 25 HN GLU 25 -0.519 -4.735 -9.677 193 HA GLU 25 HA GLU 25 -2.972 -3.342 -10.008 194 1HB GLU 25 HB1 GLU 25 -2.152 -5.402 -7.951 195 2HB GLU 25 HB2 GLU 25 -3.800 -4.840 -8.198 196 1HG GLU 25 HG2 GLU 25 -2.250 -6.001 -10.472 197 2HG GLU 25 HG1 GLU 25 -3.022 -7.053 -9.286 198 H ILE 26 HN ILE 26 -0.363 -3.101 -7.765 199 HA ILE 26 HA ILE 26 -1.654 -1.790 -5.640 200 HB ILE 26 HB ILE 26 1.158 -2.151 -6.514 201 1HG1 ILE 26 HG12 ILE 26 0.189 -2.241 -3.691 202 2HG1 ILE 26 HG11 ILE 26 -0.380 -3.479 -4.806 203 1HG2 ILE 26 HG21 ILE 26 1.353 0.157 -6.114 204 2HG2 ILE 26 HG22 ILE 26 1.884 -0.615 -4.619 205 3HG2 ILE 26 HG23 ILE 26 0.272 0.093 -4.722 206 1HD1 ILE 26 HD11 ILE 26 1.513 -4.348 -3.692 207 2HD1 ILE 26 HD12 ILE 26 2.451 -2.889 -4.006 208 3HD1 ILE 26 HD13 ILE 26 2.019 -3.961 -5.337 209 H GLN 27 HN GLN 27 0.026 -0.538 -8.507 210 HA GLN 27 HA GLN 27 -0.140 2.186 -7.870 211 1HB GLN 27 HB1 GLN 27 -0.288 1.080 -10.673 212 2HB GLN 27 HB2 GLN 27 0.390 2.616 -10.152 213 1HG GLN 27 HG1 GLN 27 1.747 0.514 -8.795 214 2HG GLN 27 HG2 GLN 27 1.705 0.148 -10.520 215 1HE2 GLN 27 HE22 GLN 27 3.573 1.454 -8.268 216 2HE2 GLN 27 HE21 GLN 27 4.413 2.650 -9.191 217 H GLU 28 HN GLU 28 -2.434 -0.016 -9.342 218 HA GLU 28 HA GLU 28 -4.275 2.015 -10.163 219 1HB GLU 28 HB1 GLU 28 -4.986 -0.871 -9.701 220 2HB GLU 28 HB2 GLU 28 -5.674 0.254 -10.865 221 1HG GLU 28 HG1 GLU 28 -2.864 -0.818 -10.965 222 2HG GLU 28 HG2 GLU 28 -4.225 -1.460 -11.885 223 H ARG 29 HN ARG 29 -3.665 0.338 -7.208 224 HA ARG 29 HA ARG 29 -6.300 0.906 -6.136 225 1HB ARG 29 HB2 ARG 29 -5.809 -0.536 -4.434 226 2HB ARG 29 HB1 ARG 29 -4.731 -1.161 -5.669 227 1HG ARG 29 HG1 ARG 29 -2.841 -0.199 -4.658 228 2HG ARG 29 HG2 ARG 29 -3.823 0.841 -3.620 229 1HD ARG 29 HD2 ARG 29 -3.143 -0.875 -2.184 230 2HD ARG 29 HD1 ARG 29 -4.755 -1.367 -2.671 231 HE ARG 29 HE ARG 29 -2.460 -2.431 -4.135 232 1HH1 ARG 29 HH11 ARG 29 -5.084 -2.924 -1.897 233 2HH1 ARG 29 HH12 ARG 29 -5.008 -4.651 -1.991 234 1HH2 ARG 29 HH22 ARG 29 -2.355 -4.702 -4.262 235 2HH2 ARG 29 HH21 ARG 29 -3.459 -5.661 -3.333 236 H ILE 30 HN ILE 30 -3.313 2.496 -6.350 237 HA ILE 30 HA ILE 30 -3.194 3.924 -3.951 238 HB ILE 30 HB ILE 30 -2.402 4.927 -6.688 239 1HG1 ILE 30 HG11 ILE 30 -1.367 2.754 -6.176 240 2HG1 ILE 30 HG12 ILE 30 -0.171 4.046 -6.182 241 1HG2 ILE 30 HG21 ILE 30 -0.995 5.727 -4.196 242 2HG2 ILE 30 HG22 ILE 30 -2.555 6.470 -4.553 243 3HG2 ILE 30 HG23 ILE 30 -1.225 6.614 -5.703 244 1HD1 ILE 30 HD11 ILE 30 -1.419 3.249 -3.603 245 2HD1 ILE 30 HD12 ILE 30 0.181 3.918 -3.926 246 3HD1 ILE 30 HD13 ILE 30 -0.165 2.232 -4.314 247 HA PRO 31 HA PRO 31 -6.826 6.483 -4.056 248 1HB PRO 31 HB1 PRO 31 -5.833 8.642 -2.674 249 2HB PRO 31 HB2 PRO 31 -6.475 7.179 -1.930 250 1HG PRO 31 HG1 PRO 31 -3.632 7.934 -2.474 251 2HG PRO 31 HG2 PRO 31 -4.337 7.156 -1.047 252 1HD PRO 31 HD1 PRO 31 -3.007 5.728 -2.872 253 2HD PRO 31 HD2 PRO 31 -4.460 5.076 -2.083 254 H GLU 32 HN GLU 32 -7.599 7.746 -5.560 255 HA GLU 32 HA GLU 32 -6.039 8.935 -7.571 256 1HB GLU 32 HB1 GLU 32 -8.835 8.581 -6.985 257 2HB GLU 32 HB2 GLU 32 -8.547 10.210 -7.579 258 1HG GLU 32 HG2 GLU 32 -7.927 9.501 -9.648 259 2HG GLU 32 HG1 GLU 32 -7.294 7.967 -9.055 260 H GLY 33 HN GLY 33 -6.293 9.968 -4.468 261 1HA GLY 33 HA1 GLY 33 -6.610 12.794 -4.953 262 2HA GLY 33 HA2 GLY 33 -6.207 12.036 -3.421 263 H THR 34 HN THR 34 -3.904 10.898 -3.595 264 HA THR 34 HA THR 34 -2.093 12.947 -4.692 265 HB THR 34 HB THR 34 -1.161 11.147 -2.518 266 HG1 THR 34 HG1 THR 34 -2.603 11.778 -1.158 267 1HG2 THR 34 HG21 THR 34 -0.761 13.927 -2.046 268 2HG2 THR 34 HG22 THR 34 -0.272 13.531 -3.694 269 3HG2 THR 34 HG23 THR 34 0.430 12.658 -2.331 270 H GLU 35 HN GLU 35 0.147 11.074 -3.831 271 HA GLU 35 HA GLU 35 -0.083 9.047 -5.941 272 1HB GLU 35 HB1 GLU 35 2.002 11.182 -5.660 273 2HB GLU 35 HB2 GLU 35 2.431 9.631 -6.370 274 1HG GLU 35 HG2 GLU 35 0.194 11.380 -7.357 275 2HG GLU 35 HG1 GLU 35 1.831 11.390 -8.014 276 H LEU 36 HN LEU 36 1.743 7.448 -5.805 277 HA LEU 36 HA LEU 36 1.881 6.476 -3.122 278 1HB LEU 36 HB1 LEU 36 2.800 4.518 -4.002 279 2HB LEU 36 HB2 LEU 36 1.698 5.083 -5.238 280 HG LEU 36 HG LEU 36 4.701 5.408 -5.290 281 1HD1 LEU 36 HD21 LEU 36 4.472 3.826 -7.242 282 2HD1 LEU 36 HD22 LEU 36 2.827 3.511 -6.685 283 3HD1 LEU 36 HD23 LEU 36 4.201 3.123 -5.648 284 1HD2 LEU 36 HD11 LEU 36 2.622 6.085 -7.366 285 2HD2 LEU 36 HD12 LEU 36 4.369 6.180 -7.583 286 3HD2 LEU 36 HD13 LEU 36 3.566 7.242 -6.427 287 H HIS 37 HN HIS 37 4.240 5.401 -2.655 288 HA HIS 37 HA HIS 37 6.199 7.595 -2.775 289 1HB HIS 37 HB1 HIS 37 5.124 7.598 -0.582 290 2HB HIS 37 HB2 HIS 37 5.479 5.893 -0.382 291 HD2 HIS 37 HD2 HIS 37 7.848 5.315 0.761 292 HE1 HIS 37 HE1 HIS 37 9.455 9.229 0.580 293 HE2 HIS 37 HE2 HIS 37 9.811 6.872 1.445 294 H LYS 38 HN LYS 38 6.255 4.466 -1.189 295 HA LYS 38 HA LYS 38 7.951 3.219 -3.127 296 1HB LYS 38 HB2 LYS 38 9.881 4.078 -2.351 297 2HB LYS 38 HB1 LYS 38 9.105 4.737 -0.920 298 1HG LYS 38 HG2 LYS 38 10.703 3.269 -0.090 299 2HG LYS 38 HG1 LYS 38 9.192 2.362 0.007 300 1HD LYS 38 HD1 LYS 38 9.798 0.908 -1.636 301 2HD LYS 38 HD2 LYS 38 10.780 2.104 -2.484 302 1HE LYS 38 HE2 LYS 38 12.327 0.567 -1.628 303 2HE LYS 38 HE1 LYS 38 12.390 1.937 -0.519 304 1HZ LYS 38 HZ1 LYS 38 11.424 -0.771 -0.069 305 2HZ LYS 38 HZ2 LYS 38 10.544 0.468 0.673 306 3HZ LYS 38 HZ3 LYS 38 12.195 0.295 0.994 307 H ILE 39 HN ILE 39 7.641 1.082 -3.003 308 HA ILE 39 HA ILE 39 6.018 0.082 -0.821 309 HB ILE 39 HB ILE 39 6.882 -1.524 -3.197 310 1HG1 ILE 39 HG11 ILE 39 4.779 0.631 -3.009 311 2HG1 ILE 39 HG12 ILE 39 6.044 0.446 -4.217 312 1HG2 ILE 39 HG21 ILE 39 5.780 -2.884 -1.669 313 2HG2 ILE 39 HG22 ILE 39 4.488 -2.401 -2.767 314 3HG2 ILE 39 HG23 ILE 39 4.654 -1.610 -1.199 315 1HD1 ILE 39 HD11 ILE 39 4.664 -1.831 -4.611 316 2HD1 ILE 39 HD12 ILE 39 4.360 -0.321 -5.473 317 3HD1 ILE 39 HD13 ILE 39 3.375 -0.753 -4.073 318 H ASP 40 HN ASP 40 6.437 -1.907 0.264 319 HA ASP 40 HA ASP 40 9.306 -2.551 0.486 320 1HB ASP 40 HB1 ASP 40 7.731 -1.421 2.432 321 2HB ASP 40 HB2 ASP 40 7.627 -3.135 2.821 322 H GLU 41 HN GLU 41 9.744 -4.565 -0.161 323 HA GLU 41 HA GLU 41 7.646 -6.549 -0.339 324 1HB GLU 41 HB1 GLU 41 10.577 -7.068 -0.808 325 2HB GLU 41 HB2 GLU 41 9.192 -7.883 -1.522 326 1HG GLU 41 HG1 GLU 41 8.779 -6.160 -3.012 327 2HG GLU 41 HG2 GLU 41 9.674 -4.983 -2.052 328 H GLU 42 HN GLU 42 7.287 -6.431 2.034 329 HA GLU 42 HA GLU 42 9.272 -7.857 3.644 330 1HB GLU 42 HB1 GLU 42 7.222 -5.864 4.176 331 2HB GLU 42 HB2 GLU 42 7.100 -7.230 5.276 332 1HG GLU 42 HG2 GLU 42 9.731 -6.817 5.411 333 2HG GLU 42 HG1 GLU 42 9.202 -5.176 5.020 334 HA PRO 43 HA PRO 43 6.726 -11.471 3.288 335 1HB PRO 43 HB1 PRO 43 8.254 -13.135 4.785 336 2HB PRO 43 HB2 PRO 43 8.686 -12.633 3.148 337 1HG PRO 43 HG2 PRO 43 9.847 -11.824 5.734 338 2HG PRO 43 HG1 PRO 43 10.562 -11.773 4.116 339 1HD PRO 43 HD1 PRO 43 9.422 -9.613 5.597 340 2HD PRO 43 HD2 PRO 43 10.071 -9.573 3.950 341 H ILE 44 HN ILE 44 5.381 -12.828 4.490 342 HA ILE 44 HA ILE 44 4.915 -11.963 7.268 343 HB ILE 44 HB ILE 44 2.655 -12.881 5.549 344 1HG1 ILE 44 HG12 ILE 44 3.885 -11.159 4.234 345 2HG1 ILE 44 HG11 ILE 44 2.271 -10.637 4.704 346 1HG2 ILE 44 HG21 ILE 44 2.702 -10.728 7.645 347 2HG2 ILE 44 HG22 ILE 44 2.526 -12.436 8.048 348 3HG2 ILE 44 HG23 ILE 44 1.321 -11.639 7.038 349 1HD1 ILE 44 HD11 ILE 44 3.300 -8.762 5.351 350 2HD1 ILE 44 HD12 ILE 44 4.887 -9.533 5.388 351 3HD1 ILE 44 HD13 ILE 44 3.795 -9.695 6.764 352 H ALA 45 HN ALA 45 3.209 -14.394 5.362 353 HA ALA 45 HA ALA 45 3.316 -16.319 7.440 354 1HB ALA 45 HB1 ALA 45 2.769 -17.232 4.682 355 2HB ALA 45 HB2 ALA 45 1.704 -15.989 5.337 356 3HB ALA 45 HB3 ALA 45 1.880 -17.529 6.176 357 H PHE 46 HN PHE 46 3.802 -18.636 5.674 358 HA PHE 46 HA PHE 46 6.590 -18.938 6.190 359 1HB PHE 46 HB2 PHE 46 4.460 -20.637 4.939 360 2HB PHE 46 HB1 PHE 46 6.149 -21.096 4.752 361 HD1 PHE 46 HD1 PHE 46 3.847 -19.981 7.474 362 HD2 PHE 46 HD2 PHE 46 6.983 -22.592 6.266 363 HE1 PHE 46 HE1 PHE 46 3.797 -21.056 9.685 364 HE2 PHE 46 HE2 PHE 46 6.939 -23.673 8.477 365 HZ PHE 46 HZ PHE 46 5.344 -22.905 10.189 366 H GLY 47 HN GLY 47 4.668 -18.076 3.415 367 1HA GLY 47 HA1 GLY 47 7.109 -17.381 1.976 368 2HA GLY 47 HA2 GLY 47 6.059 -18.562 1.210 369 H LEU 48 HN LEU 48 4.162 -16.453 2.969 370 HA LEU 48 HA LEU 48 3.379 -15.068 0.527 371 1HB LEU 48 HB2 LEU 48 2.006 -14.759 3.173 372 2HB LEU 48 HB1 LEU 48 1.340 -14.580 1.563 373 HG LEU 48 HG LEU 48 1.907 -17.104 3.087 374 1HD1 LEU 48 HD11 LEU 48 -0.307 -17.239 3.248 375 2HD1 LEU 48 HD12 LEU 48 -0.520 -16.951 1.520 376 3HD1 LEU 48 HD13 LEU 48 -0.376 -15.587 2.630 377 1HD2 LEU 48 HD21 LEU 48 1.374 -16.934 0.126 378 2HD2 LEU 48 HD22 LEU 48 1.510 -18.406 1.088 379 3HD2 LEU 48 HD23 LEU 48 2.918 -17.368 0.861 380 H VAL 49 HN VAL 49 4.689 -13.384 0.137 381 HA VAL 49 HA VAL 49 5.522 -11.638 2.302 382 HB VAL 49 HB VAL 49 6.256 -11.694 -0.626 383 1HG1 VAL 49 HG21 VAL 49 8.082 -10.171 0.958 384 2HG1 VAL 49 HG22 VAL 49 6.455 -9.523 1.165 385 3HG1 VAL 49 HG23 VAL 49 7.147 -9.668 -0.450 386 1HG2 VAL 49 HG11 VAL 49 7.255 -13.534 0.430 387 2HG2 VAL 49 HG12 VAL 49 7.629 -12.607 1.883 388 3HG2 VAL 49 HG13 VAL 49 8.513 -12.300 0.387 389 H ALA 50 HN ALA 50 4.660 -9.727 2.747 390 HA ALA 50 HA ALA 50 2.583 -8.643 1.005 391 1HB ALA 50 HB1 ALA 50 3.394 -7.723 3.759 392 2HB ALA 50 HB2 ALA 50 2.146 -8.925 3.435 393 3HB ALA 50 HB3 ALA 50 1.940 -7.267 2.867 394 H LEU 51 HN LEU 51 2.582 -6.495 0.304 395 HA LEU 51 HA LEU 51 5.234 -5.221 0.273 396 1HB LEU 51 HB2 LEU 51 3.271 -4.402 -1.764 397 2HB LEU 51 HB1 LEU 51 4.990 -4.706 -1.917 398 HG LEU 51 HG LEU 51 2.828 -6.815 -1.838 399 1HD1 LEU 51 HD21 LEU 51 4.377 -5.535 -4.052 400 2HD1 LEU 51 HD22 LEU 51 2.647 -5.858 -3.939 401 3HD1 LEU 51 HD23 LEU 51 3.775 -7.186 -4.210 402 1HD2 LEU 51 HD11 LEU 51 5.228 -7.866 -2.821 403 2HD2 LEU 51 HD12 LEU 51 4.418 -8.253 -1.302 404 3HD2 LEU 51 HD13 LEU 51 5.645 -6.986 -1.351 405 H ASN 52 HN ASN 52 5.381 -3.441 1.411 406 HA ASN 52 HA ASN 52 2.980 -2.089 2.331 407 1HB ASN 52 HB1 ASN 52 5.797 -1.286 3.042 408 2HB ASN 52 HB2 ASN 52 4.328 -1.125 4.002 409 1HD2 ASN 52 HD22 ASN 52 3.411 -3.811 3.523 410 2HD2 ASN 52 HD21 ASN 52 4.435 -4.858 4.441 411 H VAL 53 HN VAL 53 2.241 -0.980 0.603 412 HA VAL 53 HA VAL 53 3.958 0.765 -0.917 413 HB VAL 53 HB VAL 53 0.955 0.661 -1.072 414 1HG1 VAL 53 HG21 VAL 53 1.197 1.990 -2.839 415 2HG1 VAL 53 HG22 VAL 53 2.391 0.908 -3.555 416 3HG1 VAL 53 HG23 VAL 53 2.900 2.152 -2.413 417 1HG2 VAL 53 HG11 VAL 53 2.057 -1.631 -1.168 418 2HG2 VAL 53 HG12 VAL 53 2.775 -1.096 -2.686 419 3HG2 VAL 53 HG13 VAL 53 1.021 -1.180 -2.522 420 H MET 54 HN MET 54 4.637 2.500 0.201 421 HA MET 54 HA MET 54 2.849 4.007 1.901 422 1HB MET 54 HB1 MET 54 5.723 4.451 1.066 423 2HB MET 54 HB2 MET 54 4.856 5.494 2.183 424 1HG MET 54 HG1 MET 54 5.212 4.121 3.887 425 2HG MET 54 HG2 MET 54 4.687 2.715 2.962 426 1HE MET 54 HE1 MET 54 6.703 1.659 4.771 427 2HE MET 54 HE2 MET 54 7.905 0.963 3.685 428 3HE MET 54 HE3 MET 54 6.189 0.843 3.294 429 H VAL 55 HN VAL 55 2.793 6.436 1.632 430 HA VAL 55 HA VAL 55 2.716 7.231 -1.188 431 HB VAL 55 HB VAL 55 0.507 8.085 -1.073 432 1HG1 VAL 55 HG11 VAL 55 -0.832 6.089 -0.544 433 2HG1 VAL 55 HG12 VAL 55 0.578 5.378 0.242 434 3HG1 VAL 55 HG13 VAL 55 0.605 5.705 -1.491 435 1HG2 VAL 55 HG21 VAL 55 -0.127 9.013 0.859 436 2HG2 VAL 55 HG22 VAL 55 0.956 7.988 1.802 437 3HG2 VAL 55 HG23 VAL 55 -0.634 7.390 1.329 438 H VAL 56 HN VAL 56 3.332 9.297 -1.570 439 HA VAL 56 HA VAL 56 4.127 10.891 0.759 440 HB VAL 56 HB VAL 56 4.794 12.026 -1.846 441 1HG1 VAL 56 HG11 VAL 56 5.708 12.699 0.374 442 2HG1 VAL 56 HG12 VAL 56 6.939 12.329 -0.834 443 3HG1 VAL 56 HG13 VAL 56 6.565 11.159 0.432 444 1HG2 VAL 56 HG21 VAL 56 5.932 9.325 -1.141 445 2HG2 VAL 56 HG22 VAL 56 6.516 10.384 -2.424 446 3HG2 VAL 56 HG23 VAL 56 4.897 9.693 -2.519 447 H VAL 57 HN VAL 57 2.697 12.332 1.468 448 HA VAL 57 HA VAL 57 1.176 13.875 -0.519 449 HB VAL 57 HB VAL 57 -0.824 13.798 0.700 450 1HG1 VAL 57 HG21 VAL 57 -0.185 11.008 1.320 451 2HG1 VAL 57 HG22 VAL 57 0.258 11.514 -0.310 452 3HG1 VAL 57 HG23 VAL 57 -1.408 11.683 0.244 453 1HG2 VAL 57 HG11 VAL 57 -0.419 14.123 2.917 454 2HG2 VAL 57 HG12 VAL 57 0.911 12.964 2.960 455 3HG2 VAL 57 HG13 VAL 57 -0.758 12.392 2.943 456 H GLY 58 HN GLY 58 0.557 16.011 0.159 457 1HA GLY 58 HA2 GLY 58 1.340 17.162 2.611 458 2HA GLY 58 HA1 GLY 58 2.608 17.434 1.423 459 H ASP 59 HN ASP 59 1.746 18.291 -0.746 460 HA ASP 59 HA ASP 59 0.215 20.669 -0.169 461 1HB ASP 59 HB2 ASP 59 2.261 20.396 -1.780 462 2HB ASP 59 HB1 ASP 59 1.045 19.858 -2.936 463 H ALA 60 HN ALA 60 -0.546 17.552 -0.924 464 HA ALA 60 HA ALA 60 -2.656 17.871 -2.790 465 1HB ALA 60 HB1 ALA 60 -1.341 15.745 -1.932 466 2HB ALA 60 HB2 ALA 60 -2.982 15.625 -2.566 467 3HB ALA 60 HB3 ALA 60 -2.709 15.647 -0.824 468 H GLU 61 HN GLU 61 -4.631 16.305 -1.268 469 HA GLU 61 HA GLU 61 -5.517 18.093 0.837 470 1HB GLU 61 HB1 GLU 61 -7.853 17.966 -0.496 471 2HB GLU 61 HB2 GLU 61 -6.724 19.305 -0.654 472 1HG GLU 61 HG1 GLU 61 -5.854 18.434 -2.687 473 2HG GLU 61 HG2 GLU 61 -6.724 16.915 -2.478 474 H GLY 62 HN GLY 62 -8.209 17.159 0.848 475 1HA GLY 62 HA1 GLY 62 -7.783 14.591 2.108 476 2HA GLY 62 HA2 GLY 62 -9.299 15.483 2.034 477 H GLY 63 HN GLY 63 -7.776 15.236 -0.964 478 1HA GLY 63 HA2 GLY 63 -9.868 13.642 -2.060 479 2HA GLY 63 HA1 GLY 63 -8.422 14.175 -2.903 480 H THR 64 HN THR 64 -7.132 12.761 -0.335 481 HA THR 64 HA THR 64 -6.486 10.358 -1.758 482 HB THR 64 HB THR 64 -4.832 10.051 -0.225 483 HG1 THR 64 HG1 THR 64 -5.554 11.161 2.041 484 1HG2 THR 64 HG21 THR 64 -3.793 11.992 0.142 485 2HG2 THR 64 HG22 THR 64 -5.173 12.695 0.984 486 3HG2 THR 64 HG23 THR 64 -5.134 12.671 -0.779 487 H GLU 65 HN GLU 65 -9.137 11.257 -0.080 488 HA GLU 65 HA GLU 65 -9.799 9.117 1.587 489 1HB GLU 65 HB2 GLU 65 -12.162 9.734 1.045 490 2HB GLU 65 HB1 GLU 65 -11.168 11.093 1.543 491 1HG GLU 65 HG2 GLU 65 -10.848 11.647 -0.865 492 2HG GLU 65 HG1 GLU 65 -12.025 10.392 -1.249 493 H ALA 66 HN ALA 66 -9.580 9.399 -1.816 494 HA ALA 66 HA ALA 66 -11.263 7.377 -2.712 495 1HB ALA 66 HB1 ALA 66 -9.601 7.199 -4.634 496 2HB ALA 66 HB2 ALA 66 -8.680 8.451 -3.802 497 3HB ALA 66 HB3 ALA 66 -10.325 8.780 -4.343 498 H ALA 67 HN ALA 67 -8.156 7.183 -1.144 499 HA ALA 67 HA ALA 67 -7.417 4.581 -1.835 500 1HB ALA 67 HB1 ALA 67 -5.717 5.617 -0.729 501 2HB ALA 67 HB2 ALA 67 -6.401 4.706 0.618 502 3HB ALA 67 HB3 ALA 67 -6.797 6.413 0.416 503 H GLU 68 HN GLU 68 -9.133 5.677 1.098 504 HA GLU 68 HA GLU 68 -9.738 3.129 2.082 505 1HB GLU 68 HB1 GLU 68 -11.399 5.633 2.433 506 2HB GLU 68 HB2 GLU 68 -11.391 4.220 3.479 507 1HG GLU 68 HG2 GLU 68 -8.791 4.873 3.581 508 2HG GLU 68 HG1 GLU 68 -9.493 6.467 3.307 509 H GLU 69 HN GLU 69 -11.335 5.154 -0.294 510 HA GLU 69 HA GLU 69 -13.788 3.781 -0.454 511 1HB GLU 69 HB1 GLU 69 -12.606 5.967 -1.725 512 2HB GLU 69 HB2 GLU 69 -12.871 4.802 -3.015 513 1HG GLU 69 HG1 GLU 69 -15.135 5.188 -1.182 514 2HG GLU 69 HG2 GLU 69 -14.706 6.585 -2.170 515 H SER 70 HN SER 70 -10.798 3.466 -2.340 516 HA SER 70 HA SER 70 -11.659 1.291 -3.921 517 1HB SER 70 HB1 SER 70 -9.575 2.910 -4.141 518 2HB SER 70 HB2 SER 70 -8.770 1.634 -3.227 519 HG SER 70 HG SER 70 -10.318 0.837 -5.392 520 H LEU 71 HN LEU 71 -10.640 1.550 -0.668 521 HA LEU 71 HA LEU 71 -9.670 -1.108 -0.323 522 1HB LEU 71 HB2 LEU 71 -9.954 1.247 1.251 523 2HB LEU 71 HB1 LEU 71 -10.701 -0.075 2.121 524 HG LEU 71 HG LEU 71 -8.393 0.188 2.811 525 1HD1 LEU 71 HD11 LEU 71 -9.243 -2.058 2.844 526 2HD1 LEU 71 HD12 LEU 71 -7.559 -2.091 2.316 527 3HD1 LEU 71 HD13 LEU 71 -8.859 -2.272 1.136 528 1HD2 LEU 71 HD21 LEU 71 -7.315 1.221 1.016 529 2HD2 LEU 71 HD22 LEU 71 -7.833 -0.018 -0.127 530 3HD2 LEU 71 HD23 LEU 71 -6.603 -0.392 1.080 531 H SER 72 HN SER 72 -12.793 0.406 -0.261 532 HA SER 72 HA SER 72 -14.235 -1.566 1.147 533 1HB SER 72 HB1 SER 72 -14.818 0.882 0.023 534 2HB SER 72 HB2 SER 72 -15.715 -0.235 -1.007 535 HG SER 72 HG SER 72 -16.573 0.654 1.199 536 H GLY 73 HN GLY 73 -12.744 -1.634 -1.880 537 1HA GLY 73 HA2 GLY 73 -13.899 -4.249 -2.448 538 2HA GLY 73 HA1 GLY 73 -14.138 -3.013 -3.676 539 H ILE 74 HN ILE 74 -11.314 -3.096 -1.695 540 HA ILE 74 HA ILE 74 -9.575 -3.154 -3.949 541 HB ILE 74 HB ILE 74 -9.298 -2.037 -1.600 542 1HG1 ILE 74 HG11 ILE 74 -6.656 -2.988 -2.196 543 2HG1 ILE 74 HG12 ILE 74 -7.536 -2.718 -3.698 544 1HG2 ILE 74 HG21 ILE 74 -7.712 -4.508 -1.028 545 2HG2 ILE 74 HG22 ILE 74 -9.388 -4.354 -0.504 546 3HG2 ILE 74 HG23 ILE 74 -8.178 -3.204 0.063 547 1HD1 ILE 74 HD11 ILE 74 -6.198 -0.819 -2.256 548 2HD1 ILE 74 HD12 ILE 74 -7.875 -0.561 -1.779 549 3HD1 ILE 74 HD13 ILE 74 -7.425 -0.508 -3.483 550 H GLU 75 HN GLU 75 -7.425 -4.700 -3.025 551 HA GLU 75 HA GLU 75 -7.847 -7.163 -4.157 552 1HB GLU 75 HB2 GLU 75 -5.773 -5.844 -2.633 553 2HB GLU 75 HB1 GLU 75 -5.882 -7.545 -2.178 554 1HG GLU 75 HG2 GLU 75 -4.333 -7.507 -3.912 555 2HG GLU 75 HG1 GLU 75 -5.831 -8.038 -4.676 556 H GLY 76 HN GLY 76 -9.602 -8.323 -3.541 557 1HA GLY 76 HA1 GLY 76 -10.524 -8.631 -0.899 558 2HA GLY 76 HA2 GLY 76 -10.971 -9.643 -2.263 559 H VAL 77 HN VAL 77 -8.222 -10.505 -2.772 560 HA VAL 77 HA VAL 77 -8.132 -12.629 -0.794 561 HB VAL 77 HB VAL 77 -6.237 -12.232 -3.104 562 1HG1 VAL 77 HG21 VAL 77 -5.793 -13.896 -1.200 563 2HG1 VAL 77 HG22 VAL 77 -5.694 -14.492 -2.857 564 3HG1 VAL 77 HG23 VAL 77 -7.126 -14.825 -1.884 565 1HG2 VAL 77 HG11 VAL 77 -8.213 -12.277 -4.274 566 2HG2 VAL 77 HG12 VAL 77 -9.031 -13.273 -3.069 567 3HG2 VAL 77 HG13 VAL 77 -7.852 -14.001 -4.160 568 H SER 78 HN SER 78 -6.232 -9.889 -1.844 569 HA SER 78 HA SER 78 -4.201 -10.405 0.177 570 1HB SER 78 HB1 SER 78 -3.401 -9.753 -2.048 571 2HB SER 78 HB2 SER 78 -4.377 -8.288 -1.982 572 HG SER 78 HG SER 78 -1.975 -8.333 -1.320 573 H ASN 79 HN ASN 79 -5.310 -9.932 2.100 574 HA ASN 79 HA ASN 79 -6.666 -7.390 2.383 575 1HB ASN 79 HB2 ASN 79 -7.112 -9.624 3.722 576 2HB ASN 79 HB1 ASN 79 -5.860 -8.977 4.779 577 1HD2 ASN 79 HD21 ASN 79 -6.392 -6.250 4.743 578 2HD2 ASN 79 HD22 ASN 79 -7.956 -5.971 5.417 579 H ILE 80 HN ILE 80 -5.846 -5.577 3.098 580 HA ILE 80 HA ILE 80 -2.977 -5.536 3.551 581 HB ILE 80 HB ILE 80 -4.838 -3.219 3.108 582 1HG1 ILE 80 HG11 ILE 80 -3.260 -3.935 0.803 583 2HG1 ILE 80 HG12 ILE 80 -4.269 -5.290 1.299 584 1HG2 ILE 80 HG21 ILE 80 -2.116 -3.396 3.754 585 2HG2 ILE 80 HG22 ILE 80 -3.046 -1.962 3.322 586 3HG2 ILE 80 HG23 ILE 80 -2.213 -2.882 2.071 587 1HD1 ILE 80 HD11 ILE 80 -6.207 -3.689 1.303 588 2HD1 ILE 80 HD12 ILE 80 -5.510 -4.056 -0.275 589 3HD1 ILE 80 HD13 ILE 80 -5.137 -2.527 0.520 590 H GLU 81 HN GLU 81 -2.000 -4.381 5.183 591 HA GLU 81 HA GLU 81 -3.558 -3.998 7.619 592 1HB GLU 81 HB2 GLU 81 -1.289 -5.121 7.677 593 2HB GLU 81 HB1 GLU 81 -0.589 -3.584 7.190 594 1HG GLU 81 HG1 GLU 81 -0.323 -3.363 9.415 595 2HG GLU 81 HG2 GLU 81 -1.971 -2.746 9.305 596 H VAL 82 HN VAL 82 -4.740 -2.382 6.386 597 HA VAL 82 HA VAL 82 -3.411 -0.011 5.500 598 HB VAL 82 HB VAL 82 -6.360 -0.655 5.759 599 1HG1 VAL 82 HG21 VAL 82 -6.678 1.525 5.312 600 2HG1 VAL 82 HG22 VAL 82 -5.971 1.217 3.724 601 3HG1 VAL 82 HG23 VAL 82 -4.951 1.787 5.048 602 1HG2 VAL 82 HG11 VAL 82 -5.657 -2.158 4.197 603 2HG2 VAL 82 HG12 VAL 82 -4.320 -1.142 3.653 604 3HG2 VAL 82 HG13 VAL 82 -5.972 -0.760 3.165 605 H THR 83 HN THR 83 -2.672 -0.182 8.019 606 HA THR 83 HA THR 83 -4.135 1.998 9.314 607 HB THR 83 HB THR 83 -2.939 -0.209 10.963 608 HG1 THR 83 HG1 THR 83 -5.325 -0.835 11.024 609 1HG2 THR 83 HG21 THR 83 -5.409 1.233 11.706 610 2HG2 THR 83 HG22 THR 83 -3.884 2.116 11.794 611 3HG2 THR 83 HG23 THR 83 -4.095 0.626 12.715 612 H ASP 84 HN ASP 84 -1.356 1.232 7.865 613 HA ASP 84 HA ASP 84 0.463 2.144 9.934 614 1HB ASP 84 HB1 ASP 84 1.020 0.300 8.307 615 2HB ASP 84 HB2 ASP 84 1.104 1.529 7.052 616 H VAL 85 HN VAL 85 1.455 4.081 10.020 617 HA VAL 85 HA VAL 85 1.110 6.011 7.865 618 HB VAL 85 HB VAL 85 -0.841 6.184 9.502 619 1HG1 VAL 85 HG11 VAL 85 1.002 6.043 11.438 620 2HG1 VAL 85 HG12 VAL 85 -0.560 6.833 11.651 621 3HG1 VAL 85 HG13 VAL 85 0.874 7.796 11.290 622 1HG2 VAL 85 HG21 VAL 85 0.795 8.696 9.244 623 2HG2 VAL 85 HG22 VAL 85 -0.961 8.533 9.260 624 3HG2 VAL 85 HG23 VAL 85 -0.034 7.948 7.879 625 H ARG 86 HN ARG 86 2.562 7.796 7.985 626 HA ARG 86 HA ARG 86 4.539 7.822 10.096 627 1HB ARG 86 HB1 ARG 86 5.913 6.476 8.946 628 2HB ARG 86 HB2 ARG 86 4.960 6.626 7.482 629 1HG ARG 86 HG1 ARG 86 6.327 8.137 6.594 630 2HG ARG 86 HG2 ARG 86 6.519 8.997 8.121 631 1HD ARG 86 HD1 ARG 86 8.175 7.448 8.868 632 2HD ARG 86 HD2 ARG 86 7.845 6.366 7.516 633 HE ARG 86 HE ARG 86 9.284 8.916 7.377 634 1HH1 ARG 86 HH22 ARG 86 8.211 5.961 5.875 635 2HH1 ARG 86 HH21 ARG 86 9.260 6.125 4.507 636 1HH2 ARG 86 HH11 ARG 86 10.669 9.139 5.579 637 2HH2 ARG 86 HH12 ARG 86 10.657 7.930 4.339 638 H ARG 87 HN ARG 87 4.122 9.903 10.646 639 HA ARG 87 HA ARG 87 3.804 11.952 8.613 640 1HB ARG 87 HB1 ARG 87 3.867 12.233 11.623 641 2HB ARG 87 HB2 ARG 87 3.341 13.453 10.473 642 1HG ARG 87 HG2 ARG 87 1.843 11.082 10.009 643 2HG ARG 87 HG1 ARG 87 1.804 11.450 11.735 644 1HD ARG 87 HD2 ARG 87 1.405 13.910 10.705 645 2HD ARG 87 HD1 ARG 87 0.655 12.920 9.455 646 HE ARG 87 HE ARG 87 -0.811 12.021 11.168 647 1HH1 ARG 87 HH12 ARG 87 0.983 14.898 11.981 648 2HH1 ARG 87 HH11 ARG 87 -0.114 15.382 13.232 649 1HH2 ARG 87 HH21 ARG 87 -2.257 12.653 12.813 650 2HH2 ARG 87 HH22 ARG 87 -1.953 14.107 13.703 651 H LEU 88 HN LEU 88 5.601 12.738 7.670 652 HA LEU 88 HA LEU 88 8.119 12.792 9.118 653 1HB LEU 88 HB1 LEU 88 8.088 14.258 6.607 654 2HB LEU 88 HB2 LEU 88 9.137 12.963 7.141 655 HG LEU 88 HG LEU 88 6.359 12.425 6.137 656 1HD1 LEU 88 HD11 LEU 88 8.183 13.690 4.599 657 2HD1 LEU 88 HD12 LEU 88 6.988 12.549 3.977 658 3HD1 LEU 88 HD13 LEU 88 8.632 12.006 4.314 659 1HD2 LEU 88 HD21 LEU 88 6.917 10.252 6.259 660 2HD2 LEU 88 HD22 LEU 88 8.120 10.823 7.418 661 3HD2 LEU 88 HD23 LEU 88 8.578 10.541 5.738 662 H MET 89 HN MET 89 7.654 14.265 10.780 663 HA MET 89 HA MET 89 6.985 17.004 10.019 664 1HB MET 89 HB2 MET 89 6.436 15.396 12.276 665 2HB MET 89 HB1 MET 89 7.491 16.688 12.832 666 1HG MET 89 HG1 MET 89 5.977 18.358 12.043 667 2HG MET 89 HG2 MET 89 4.977 17.144 11.247 668 1HE MET 89 HE1 MET 89 3.890 14.977 14.160 669 2HE MET 89 HE2 MET 89 4.269 15.121 12.443 670 3HE MET 89 HE3 MET 89 2.762 15.786 13.073 Start of MODEL 27 1 1H MET 1 HT1 MET 1 10.789 18.828 4.520 2 2H MET 1 HT2 MET 1 11.590 17.460 3.864 3 3H MET 1 HT3 MET 1 12.344 18.388 5.096 4 HA MET 1 HA MET 1 10.412 16.300 5.264 5 1HB MET 1 HB1 MET 1 12.841 16.701 6.234 6 2HB MET 1 HB2 MET 1 11.957 17.503 7.525 7 1HG MET 1 HG1 MET 1 10.927 15.552 8.212 8 2HG MET 1 HG2 MET 1 11.188 14.750 6.663 9 1HE MET 1 HE1 MET 1 13.397 12.282 7.904 10 2HE MET 1 HE2 MET 1 11.739 12.769 7.548 11 3HE MET 1 HE3 MET 1 12.310 12.733 9.217 12 H GLY 2 HN GLY 2 8.338 16.749 5.554 13 1HA GLY 2 HA1 GLY 2 7.297 17.922 7.847 14 2HA GLY 2 HA2 GLY 2 7.341 19.187 6.625 15 H ASP 3 HN ASP 3 7.042 16.250 5.135 16 HA ASP 3 HA ASP 3 4.204 16.719 4.612 17 1HB ASP 3 HB1 ASP 3 5.951 14.712 3.198 18 2HB ASP 3 HB2 ASP 3 4.467 15.467 2.624 19 H VAL 4 HN VAL 4 2.811 14.777 4.340 20 HA VAL 4 HA VAL 4 3.256 12.911 6.559 21 HB VAL 4 HB VAL 4 0.685 12.860 5.090 22 1HG1 VAL 4 HG21 VAL 4 1.740 12.047 7.607 23 2HG1 VAL 4 HG22 VAL 4 0.151 11.717 6.916 24 3HG1 VAL 4 HG23 VAL 4 0.406 13.166 7.888 25 1HG2 VAL 4 HG11 VAL 4 1.742 15.289 6.404 26 2HG2 VAL 4 HG12 VAL 4 0.079 14.842 6.781 27 3HG2 VAL 4 HG13 VAL 4 0.558 15.123 5.107 28 H VAL 5 HN VAL 5 3.464 10.737 6.244 29 HA VAL 5 HA VAL 5 3.182 9.724 3.490 30 HB VAL 5 HB VAL 5 5.530 9.557 5.304 31 1HG1 VAL 5 HG11 VAL 5 6.102 7.476 3.673 32 2HG1 VAL 5 HG12 VAL 5 4.382 7.204 3.958 33 3HG1 VAL 5 HG13 VAL 5 5.496 7.304 5.324 34 1HG2 VAL 5 HG21 VAL 5 5.260 9.487 2.302 35 2HG2 VAL 5 HG22 VAL 5 6.748 9.712 3.221 36 3HG2 VAL 5 HG23 VAL 5 5.490 10.945 3.267 37 H ALA 6 HN ALA 6 1.658 8.198 3.440 38 HA ALA 6 HA ALA 6 1.062 6.680 5.878 39 1HB ALA 6 HB1 ALA 6 -0.473 7.338 3.411 40 2HB ALA 6 HB2 ALA 6 -0.954 7.454 5.104 41 3HB ALA 6 HB3 ALA 6 -0.889 5.880 4.312 42 H THR 7 HN THR 7 0.502 4.311 5.517 43 HA THR 7 HA THR 7 2.021 3.116 3.336 44 HB THR 7 HB THR 7 2.470 2.295 6.200 45 HG1 THR 7 HG1 THR 7 4.689 3.140 5.222 46 1HG2 THR 7 HG21 THR 7 3.790 1.429 3.643 47 2HG2 THR 7 HG22 THR 7 2.825 0.437 4.739 48 3HG2 THR 7 HG23 THR 7 4.391 1.059 5.261 49 H ILE 8 HN ILE 8 1.135 1.426 2.491 50 HA ILE 8 HA ILE 8 -1.134 0.120 3.850 51 HB ILE 8 HB ILE 8 -0.804 0.285 0.867 52 1HG1 ILE 8 HG12 ILE 8 -0.759 2.590 2.095 53 2HG1 ILE 8 HG11 ILE 8 -1.830 2.371 0.717 54 1HG2 ILE 8 HG21 ILE 8 -2.875 -0.530 2.773 55 2HG2 ILE 8 HG22 ILE 8 -2.511 -1.119 1.149 56 3HG2 ILE 8 HG23 ILE 8 -3.436 0.368 1.358 57 1HD1 ILE 8 HD11 ILE 8 -3.685 2.617 1.953 58 2HD1 ILE 8 HD12 ILE 8 -2.586 3.441 3.061 59 3HD1 ILE 8 HD13 ILE 8 -3.009 1.751 3.335 60 H LYS 9 HN LYS 9 -0.398 -1.847 4.534 61 HA LYS 9 HA LYS 9 1.567 -3.288 2.913 62 1HB LYS 9 HB1 LYS 9 0.685 -4.528 5.417 63 2HB LYS 9 HB2 LYS 9 2.304 -4.239 4.799 64 1HG LYS 9 HG2 LYS 9 0.986 -1.776 5.568 65 2HG LYS 9 HG1 LYS 9 1.070 -2.926 6.898 66 1HD LYS 9 HD2 LYS 9 3.465 -2.307 5.216 67 2HD LYS 9 HD1 LYS 9 3.007 -1.293 6.584 68 1HE LYS 9 HE2 LYS 9 3.701 -4.223 6.639 69 2HE LYS 9 HE1 LYS 9 4.628 -2.894 7.336 70 1HZ LYS 9 HZ1 LYS 9 3.392 -4.038 9.041 71 2HZ LYS 9 HZ2 LYS 9 1.938 -3.797 8.210 72 3HZ LYS 9 HZ3 LYS 9 2.773 -2.475 8.852 73 H VAL 10 HN VAL 10 0.369 -4.135 1.251 74 HA VAL 10 HA VAL 10 -1.974 -5.744 1.854 75 HB VAL 10 HB VAL 10 -2.672 -5.346 -0.232 76 1HG1 VAL 10 HG21 VAL 10 -0.691 -3.501 -1.158 77 2HG1 VAL 10 HG22 VAL 10 -0.950 -3.274 0.571 78 3HG1 VAL 10 HG23 VAL 10 -2.313 -3.182 -0.545 79 1HG2 VAL 10 HG11 VAL 10 -0.867 -5.293 -2.186 80 2HG2 VAL 10 HG12 VAL 10 -1.560 -6.796 -1.574 81 3HG2 VAL 10 HG13 VAL 10 0.030 -6.266 -1.020 82 H MET 11 HN MET 11 -2.134 -7.933 1.738 83 HA MET 11 HA MET 11 0.028 -9.462 0.555 84 1HB MET 11 HB2 MET 11 0.761 -10.577 2.455 85 2HB MET 11 HB1 MET 11 0.517 -8.940 3.034 86 1HG MET 11 HG1 MET 11 -1.046 -9.535 4.488 87 2HG MET 11 HG2 MET 11 -1.842 -10.612 3.347 88 1HE MET 11 HE1 MET 11 -1.440 -13.483 3.563 89 2HE MET 11 HE2 MET 11 0.293 -13.808 3.544 90 3HE MET 11 HE3 MET 11 -0.395 -12.625 2.431 91 HA PRO 12 HA PRO 12 -3.670 -11.694 -0.706 92 1HB PRO 12 HB1 PRO 12 -1.635 -13.421 -1.999 93 2HB PRO 12 HB2 PRO 12 -3.019 -12.584 -2.708 94 1HG PRO 12 HG1 PRO 12 -0.544 -11.710 -3.139 95 2HG PRO 12 HG2 PRO 12 -1.878 -10.568 -2.885 96 1HD PRO 12 HD2 PRO 12 0.223 -11.482 -0.942 97 2HD PRO 12 HD1 PRO 12 -0.385 -9.840 -1.246 98 H GLU 13 HN GLU 13 -4.653 -13.119 0.526 99 HA GLU 13 HA GLU 13 -3.459 -14.627 2.536 100 1HB GLU 13 HB1 GLU 13 -6.112 -14.253 1.455 101 2HB GLU 13 HB2 GLU 13 -5.849 -15.939 1.881 102 1HG GLU 13 HG2 GLU 13 -5.306 -15.349 4.137 103 2HG GLU 13 HG1 GLU 13 -5.353 -13.630 3.743 104 H SER 14 HN SER 14 -4.065 -15.373 -0.809 105 HA SER 14 HA SER 14 -3.629 -18.200 -0.510 106 1HB SER 14 HB2 SER 14 -4.620 -16.468 -2.542 107 2HB SER 14 HB1 SER 14 -3.261 -17.364 -3.220 108 HG SER 14 HG SER 14 -5.690 -18.325 -2.185 109 HA PRO 15 HA PRO 15 0.768 -18.304 -0.779 110 1HB PRO 15 HB2 PRO 15 1.155 -20.619 -2.164 111 2HB PRO 15 HB1 PRO 15 0.683 -20.576 -0.462 112 1HG PRO 15 HG2 PRO 15 -1.018 -20.981 -2.894 113 2HG PRO 15 HG1 PRO 15 -1.065 -21.837 -1.341 114 1HD PRO 15 HD2 PRO 15 -2.821 -19.882 -1.960 115 2HD PRO 15 HD1 PRO 15 -2.242 -20.141 -0.301 116 H ASP 16 HN ASP 16 -1.236 -17.914 -3.440 117 HA ASP 16 HA ASP 16 0.930 -17.768 -5.388 118 1HB ASP 16 HB2 ASP 16 -2.012 -17.213 -5.806 119 2HB ASP 16 HB1 ASP 16 -0.794 -17.471 -7.051 120 H VAL 17 HN VAL 17 0.887 -15.928 -3.169 121 HA VAL 17 HA VAL 17 -0.128 -13.415 -3.972 122 HB VAL 17 HB VAL 17 0.195 -13.207 -1.779 123 1HG1 VAL 17 HG11 VAL 17 1.970 -15.460 -2.162 124 2HG1 VAL 17 HG12 VAL 17 0.854 -15.090 -0.845 125 3HG1 VAL 17 HG13 VAL 17 2.477 -14.395 -0.850 126 1HG2 VAL 17 HG21 VAL 17 2.161 -12.010 -1.103 127 2HG2 VAL 17 HG22 VAL 17 1.704 -11.494 -2.728 128 3HG2 VAL 17 HG23 VAL 17 3.056 -12.607 -2.501 129 H ASP 18 HN ASP 18 0.502 -13.105 -6.079 130 HA ASP 18 HA ASP 18 3.239 -13.174 -6.938 131 1HB ASP 18 HB1 ASP 18 0.639 -12.339 -8.162 132 2HB ASP 18 HB2 ASP 18 2.145 -11.830 -8.917 133 H LEU 19 HN LEU 19 4.593 -11.779 -6.001 134 HA LEU 19 HA LEU 19 3.886 -9.281 -4.943 135 1HB LEU 19 HB2 LEU 19 5.861 -9.714 -4.005 136 2HB LEU 19 HB1 LEU 19 6.275 -10.869 -5.253 137 HG LEU 19 HG LEU 19 6.823 -8.660 -6.623 138 1HD1 LEU 19 HD11 LEU 19 6.354 -6.905 -5.247 139 2HD1 LEU 19 HD12 LEU 19 8.031 -7.195 -4.783 140 3HD1 LEU 19 HD13 LEU 19 6.718 -7.813 -3.779 141 1HD2 LEU 19 HD21 LEU 19 8.984 -9.263 -6.387 142 2HD2 LEU 19 HD22 LEU 19 8.276 -10.643 -5.549 143 3HD2 LEU 19 HD23 LEU 19 8.903 -9.278 -4.626 144 H GLU 20 HN GLU 20 5.554 -10.072 -7.996 145 HA GLU 20 HA GLU 20 5.714 -7.386 -8.851 146 1HB GLU 20 HB1 GLU 20 7.231 -8.972 -9.771 147 2HB GLU 20 HB2 GLU 20 5.925 -9.998 -10.346 148 1HG GLU 20 HG1 GLU 20 6.465 -8.997 -12.300 149 2HG GLU 20 HG2 GLU 20 5.317 -7.800 -11.702 150 H ALA 21 HN ALA 21 3.299 -9.900 -9.325 151 HA ALA 21 HA ALA 21 1.811 -8.457 -11.299 152 1HB ALA 21 HB1 ALA 21 0.178 -10.114 -11.129 153 2HB ALA 21 HB2 ALA 21 0.611 -10.497 -9.463 154 3HB ALA 21 HB3 ALA 21 1.684 -10.963 -10.783 155 H LEU 22 HN LEU 22 1.861 -8.629 -7.827 156 HA LEU 22 HA LEU 22 -0.517 -7.146 -7.325 157 1HB LEU 22 HB2 LEU 22 1.121 -8.628 -5.787 158 2HB LEU 22 HB1 LEU 22 1.752 -7.043 -5.405 159 HG LEU 22 HG LEU 22 -0.036 -6.488 -4.134 160 1HD1 LEU 22 HD21 LEU 22 -1.673 -7.947 -6.166 161 2HD1 LEU 22 HD22 LEU 22 -1.759 -6.259 -5.665 162 3HD1 LEU 22 HD23 LEU 22 -2.363 -7.528 -4.597 163 1HD2 LEU 22 HD11 LEU 22 0.534 -8.356 -2.935 164 2HD2 LEU 22 HD12 LEU 22 0.033 -9.462 -4.214 165 3HD2 LEU 22 HD13 LEU 22 -1.183 -8.641 -3.232 166 H LYS 23 HN LYS 23 2.736 -6.368 -8.136 167 HA LYS 23 HA LYS 23 2.958 -3.733 -7.254 168 1HB LYS 23 HB2 LYS 23 4.311 -5.473 -9.153 169 2HB LYS 23 HB1 LYS 23 4.252 -3.816 -9.730 170 1HG LYS 23 HG2 LYS 23 6.161 -3.650 -8.563 171 2HG LYS 23 HG1 LYS 23 5.061 -3.380 -7.209 172 1HD LYS 23 HD2 LYS 23 5.701 -5.265 -6.210 173 2HD LYS 23 HD1 LYS 23 5.504 -6.198 -7.695 174 1HE LYS 23 HE2 LYS 23 7.863 -5.899 -6.545 175 2HE LYS 23 HE1 LYS 23 7.689 -5.965 -8.298 176 1HZ LYS 23 HZ1 LYS 23 9.119 -4.130 -7.472 177 2HZ LYS 23 HZ2 LYS 23 7.757 -3.437 -6.747 178 3HZ LYS 23 HZ3 LYS 23 7.824 -3.608 -8.429 179 H LYS 24 HN LYS 24 1.684 -5.035 -10.294 180 HA LYS 24 HA LYS 24 1.053 -2.535 -11.454 181 1HB LYS 24 HB1 LYS 24 -0.523 -4.992 -12.106 182 2HB LYS 24 HB2 LYS 24 0.079 -3.738 -13.179 183 1HG LYS 24 HG2 LYS 24 2.380 -4.603 -12.800 184 2HG LYS 24 HG1 LYS 24 1.672 -5.936 -11.884 185 1HD LYS 24 HD1 LYS 24 0.341 -5.652 -14.414 186 2HD LYS 24 HD2 LYS 24 2.084 -5.791 -14.655 187 1HE LYS 24 HE2 LYS 24 1.138 -7.662 -12.665 188 2HE LYS 24 HE1 LYS 24 0.283 -7.864 -14.193 189 1HZ LYS 24 HZ1 LYS 24 2.756 -7.676 -15.090 190 2HZ LYS 24 HZ2 LYS 24 2.069 -9.151 -14.629 191 3HZ LYS 24 HZ3 LYS 24 3.090 -8.323 -13.563 192 H GLU 25 HN GLU 25 -0.797 -4.816 -9.477 193 HA GLU 25 HA GLU 25 -3.280 -3.437 -9.701 194 1HB GLU 25 HB1 GLU 25 -2.288 -5.324 -7.553 195 2HB GLU 25 HB2 GLU 25 -3.955 -4.802 -7.752 196 1HG GLU 25 HG2 GLU 25 -3.844 -5.804 -10.075 197 2HG GLU 25 HG1 GLU 25 -2.329 -6.550 -9.568 198 H ILE 26 HN ILE 26 -0.486 -3.122 -7.686 199 HA ILE 26 HA ILE 26 -1.597 -1.592 -5.599 200 HB ILE 26 HB ILE 26 1.156 -2.101 -6.612 201 1HG1 ILE 26 HG11 ILE 26 0.374 -2.089 -3.738 202 2HG1 ILE 26 HG12 ILE 26 -0.351 -3.317 -4.770 203 1HG2 ILE 26 HG21 ILE 26 0.345 0.363 -5.236 204 2HG2 ILE 26 HG22 ILE 26 1.783 0.016 -6.196 205 3HG2 ILE 26 HG23 ILE 26 1.709 -0.486 -4.507 206 1HD1 ILE 26 HD11 ILE 26 2.500 -3.120 -5.185 207 2HD1 ILE 26 HD12 ILE 26 1.507 -4.520 -4.781 208 3HD1 ILE 26 HD13 ILE 26 2.094 -3.457 -3.503 209 H GLN 27 HN GLN 27 -0.167 -0.725 -8.706 210 HA GLN 27 HA GLN 27 -0.090 2.060 -8.296 211 1HB GLN 27 HB1 GLN 27 -0.371 0.523 -10.887 212 2HB GLN 27 HB2 GLN 27 0.087 2.216 -10.747 213 1HG GLN 27 HG1 GLN 27 1.811 0.641 -9.107 214 2HG GLN 27 HG2 GLN 27 1.754 -0.047 -10.730 215 1HE2 GLN 27 HE22 GLN 27 3.771 1.568 -9.118 216 2HE2 GLN 27 HE21 GLN 27 4.264 2.812 -10.210 217 H GLU 28 HN GLU 28 -2.598 -0.098 -9.517 218 HA GLU 28 HA GLU 28 -4.321 2.073 -10.301 219 1HB GLU 28 HB2 GLU 28 -5.927 0.380 -10.869 220 2HB GLU 28 HB1 GLU 28 -4.335 -0.097 -11.439 221 1HG GLU 28 HG2 GLU 28 -4.659 -2.031 -10.466 222 2HG GLU 28 HG1 GLU 28 -4.493 -1.202 -8.923 223 H ARG 29 HN ARG 29 -3.712 0.338 -7.420 224 HA ARG 29 HA ARG 29 -6.282 0.990 -6.241 225 1HB ARG 29 HB2 ARG 29 -5.645 -0.352 -4.415 226 2HB ARG 29 HB1 ARG 29 -4.994 -1.172 -5.825 227 1HG ARG 29 HG1 ARG 29 -2.843 -0.766 -5.246 228 2HG ARG 29 HG2 ARG 29 -3.229 0.750 -4.428 229 1HD ARG 29 HD1 ARG 29 -4.523 -1.267 -2.966 230 2HD ARG 29 HD2 ARG 29 -2.914 -1.890 -3.329 231 HE ARG 29 HE ARG 29 -3.548 0.133 -1.465 232 1HH1 ARG 29 HH21 ARG 29 -1.187 -0.668 -3.900 233 2HH1 ARG 29 HH22 ARG 29 0.083 0.236 -3.148 234 1HH2 ARG 29 HH11 ARG 29 -1.881 1.326 -0.474 235 2HH2 ARG 29 HH12 ARG 29 -0.310 1.369 -1.201 236 H ILE 30 HN ILE 30 -3.309 2.529 -6.641 237 HA ILE 30 HA ILE 30 -3.001 3.880 -4.186 238 HB ILE 30 HB ILE 30 -2.233 4.768 -6.965 239 1HG1 ILE 30 HG11 ILE 30 -1.197 2.661 -6.097 240 2HG1 ILE 30 HG12 ILE 30 -0.039 3.937 -6.439 241 1HG2 ILE 30 HG21 ILE 30 -1.391 6.678 -6.171 242 2HG2 ILE 30 HG22 ILE 30 -0.706 5.891 -4.748 243 3HG2 ILE 30 HG23 ILE 30 -2.401 6.392 -4.753 244 1HD1 ILE 30 HD11 ILE 30 -1.111 3.446 -3.683 245 2HD1 ILE 30 HD12 ILE 30 0.315 4.366 -4.159 246 3HD1 ILE 30 HD13 ILE 30 0.306 2.609 -4.317 247 HA PRO 31 HA PRO 31 -6.471 6.635 -3.962 248 1HB PRO 31 HB2 PRO 31 -5.053 8.802 -2.896 249 2HB PRO 31 HB1 PRO 31 -5.868 7.536 -1.982 250 1HG PRO 31 HG1 PRO 31 -2.994 7.803 -2.702 251 2HG PRO 31 HG2 PRO 31 -3.740 7.154 -1.233 252 1HD PRO 31 HD1 PRO 31 -2.697 5.527 -3.073 253 2HD PRO 31 HD2 PRO 31 -4.191 5.102 -2.211 254 H GLU 32 HN GLU 32 -7.313 7.716 -5.557 255 HA GLU 32 HA GLU 32 -5.897 8.736 -7.753 256 1HB GLU 32 HB1 GLU 32 -8.720 8.849 -6.813 257 2HB GLU 32 HB2 GLU 32 -8.231 9.979 -8.069 258 1HG GLU 32 HG1 GLU 32 -9.225 7.912 -8.958 259 2HG GLU 32 HG2 GLU 32 -7.571 8.176 -9.511 260 H GLY 33 HN GLY 33 -6.024 10.031 -4.716 261 1HA GLY 33 HA1 GLY 33 -6.283 12.809 -5.462 262 2HA GLY 33 HA2 GLY 33 -5.895 12.187 -3.866 263 H THR 34 HN THR 34 -3.623 11.014 -3.897 264 HA THR 34 HA THR 34 -1.762 12.923 -5.146 265 HB THR 34 HB THR 34 -0.766 11.269 -2.921 266 HG1 THR 34 HG1 THR 34 -2.962 11.786 -2.301 267 1HG2 THR 34 HG21 THR 34 0.713 12.932 -3.432 268 2HG2 THR 34 HG22 THR 34 -0.199 13.677 -2.118 269 3HG2 THR 34 HG23 THR 34 -0.556 14.102 -3.792 270 H GLU 35 HN GLU 35 0.435 11.060 -4.169 271 HA GLU 35 HA GLU 35 0.174 8.927 -6.175 272 1HB GLU 35 HB1 GLU 35 2.669 10.587 -5.791 273 2HB GLU 35 HB2 GLU 35 2.395 9.345 -7.004 274 1HG GLU 35 HG1 GLU 35 0.392 10.959 -7.649 275 2HG GLU 35 HG2 GLU 35 1.461 12.151 -6.912 276 H LEU 36 HN LEU 36 2.080 7.366 -5.946 277 HA LEU 36 HA LEU 36 2.041 6.386 -3.261 278 1HB LEU 36 HB1 LEU 36 3.978 4.910 -4.562 279 2HB LEU 36 HB2 LEU 36 2.278 4.504 -4.436 280 HG LEU 36 HG LEU 36 2.062 5.960 -6.608 281 1HD1 LEU 36 HD11 LEU 36 4.942 5.738 -6.235 282 2HD1 LEU 36 HD12 LEU 36 4.012 6.811 -7.281 283 3HD1 LEU 36 HD13 LEU 36 4.398 5.175 -7.815 284 1HD2 LEU 36 HD21 LEU 36 3.093 3.704 -7.765 285 2HD2 LEU 36 HD22 LEU 36 1.453 3.877 -7.139 286 3HD2 LEU 36 HD23 LEU 36 2.710 3.155 -6.133 287 H HIS 37 HN HIS 37 4.408 5.409 -2.595 288 HA HIS 37 HA HIS 37 6.315 7.647 -2.639 289 1HB HIS 37 HB1 HIS 37 5.020 7.650 -0.512 290 2HB HIS 37 HB2 HIS 37 5.600 6.025 -0.192 291 HD2 HIS 37 HD2 HIS 37 8.094 5.820 0.876 292 HE1 HIS 37 HE1 HIS 37 8.944 9.966 0.828 293 HE2 HIS 37 HE2 HIS 37 9.731 7.690 1.623 294 H LYS 38 HN LYS 38 6.232 4.524 -0.999 295 HA LYS 38 HA LYS 38 8.171 3.315 -2.762 296 1HB LYS 38 HB1 LYS 38 8.915 4.375 -0.055 297 2HB LYS 38 HB2 LYS 38 9.689 2.919 -0.658 298 1HG LYS 38 HG1 LYS 38 9.685 5.585 -2.052 299 2HG LYS 38 HG2 LYS 38 11.009 4.940 -1.081 300 1HD LYS 38 HD2 LYS 38 10.856 2.906 -2.692 301 2HD LYS 38 HD1 LYS 38 10.007 4.036 -3.751 302 1HE LYS 38 HE1 LYS 38 12.675 4.684 -2.533 303 2HE LYS 38 HE2 LYS 38 12.530 3.810 -4.057 304 1HZ LYS 38 HZ1 LYS 38 12.759 6.370 -4.067 305 2HZ LYS 38 HZ2 LYS 38 11.108 6.360 -3.700 306 3HZ LYS 38 HZ3 LYS 38 11.663 5.634 -5.124 307 H ILE 39 HN ILE 39 7.785 1.190 -2.806 308 HA ILE 39 HA ILE 39 6.015 0.064 -0.789 309 HB ILE 39 HB ILE 39 6.975 -1.350 -3.257 310 1HG1 ILE 39 HG11 ILE 39 4.821 0.736 -2.935 311 2HG1 ILE 39 HG12 ILE 39 6.101 0.666 -4.139 312 1HG2 ILE 39 HG21 ILE 39 4.554 -1.609 -1.482 313 2HG2 ILE 39 HG22 ILE 39 5.873 -2.765 -1.670 314 3HG2 ILE 39 HG23 ILE 39 4.760 -2.473 -3.006 315 1HD1 ILE 39 HD11 ILE 39 4.446 -0.034 -5.468 316 2HD1 ILE 39 HD12 ILE 39 3.454 -0.587 -4.118 317 3HD1 ILE 39 HD13 ILE 39 4.768 -1.598 -4.720 318 H ASP 40 HN ASP 40 6.400 -1.966 0.218 319 HA ASP 40 HA ASP 40 9.253 -2.620 0.523 320 1HB ASP 40 HB2 ASP 40 7.000 -2.752 2.531 321 2HB ASP 40 HB1 ASP 40 8.639 -3.307 2.833 322 H GLU 41 HN GLU 41 9.825 -4.629 -0.028 323 HA GLU 41 HA GLU 41 7.746 -6.609 -0.566 324 1HB GLU 41 HB1 GLU 41 10.729 -6.807 -1.040 325 2HB GLU 41 HB2 GLU 41 9.497 -7.902 -1.651 326 1HG GLU 41 HG1 GLU 41 8.622 -6.239 -3.105 327 2HG GLU 41 HG2 GLU 41 9.614 -4.984 -2.361 328 H GLU 42 HN GLU 42 7.408 -6.531 1.871 329 HA GLU 42 HA GLU 42 9.365 -8.149 3.318 330 1HB GLU 42 HB1 GLU 42 7.431 -6.075 4.058 331 2HB GLU 42 HB2 GLU 42 7.498 -7.431 5.175 332 1HG GLU 42 HG1 GLU 42 9.054 -5.340 5.459 333 2HG GLU 42 HG2 GLU 42 9.622 -6.974 5.834 334 HA PRO 43 HA PRO 43 6.592 -11.568 3.284 335 1HB PRO 43 HB1 PRO 43 8.010 -13.165 4.984 336 2HB PRO 43 HB2 PRO 43 8.472 -12.850 3.311 337 1HG PRO 43 HG2 PRO 43 9.753 -11.961 5.769 338 2HG PRO 43 HG1 PRO 43 10.351 -11.869 4.106 339 1HD PRO 43 HD1 PRO 43 9.117 -9.786 5.732 340 2HD PRO 43 HD2 PRO 43 9.958 -9.638 4.179 341 H ILE 44 HN ILE 44 5.183 -12.838 4.542 342 HA ILE 44 HA ILE 44 4.654 -11.793 7.245 343 HB ILE 44 HB ILE 44 2.423 -12.702 5.475 344 1HG1 ILE 44 HG12 ILE 44 3.723 -11.015 4.186 345 2HG1 ILE 44 HG11 ILE 44 2.115 -10.442 4.624 346 1HG2 ILE 44 HG21 ILE 44 2.755 -11.279 8.021 347 2HG2 ILE 44 HG22 ILE 44 1.436 -12.304 7.454 348 3HG2 ILE 44 HG23 ILE 44 1.520 -10.614 6.953 349 1HD1 ILE 44 HD11 ILE 44 3.175 -8.603 5.306 350 2HD1 ILE 44 HD12 ILE 44 4.743 -9.411 5.356 351 3HD1 ILE 44 HD13 ILE 44 3.632 -9.556 6.718 352 H ALA 45 HN ALA 45 2.932 -14.256 5.395 353 HA ALA 45 HA ALA 45 2.906 -16.090 7.555 354 1HB ALA 45 HB1 ALA 45 2.439 -17.232 4.905 355 2HB ALA 45 HB2 ALA 45 1.472 -15.798 5.252 356 3HB ALA 45 HB3 ALA 45 1.397 -17.194 6.327 357 H PHE 46 HN PHE 46 3.403 -18.486 5.881 358 HA PHE 46 HA PHE 46 6.153 -18.840 6.537 359 1HB PHE 46 HB2 PHE 46 4.038 -20.522 5.250 360 2HB PHE 46 HB1 PHE 46 5.720 -21.027 5.133 361 HD1 PHE 46 HD1 PHE 46 2.794 -20.953 7.173 362 HD2 PHE 46 HD2 PHE 46 7.032 -21.320 7.283 363 HE1 PHE 46 HE1 PHE 46 2.645 -21.963 9.414 364 HE2 PHE 46 HE2 PHE 46 6.891 -22.329 9.524 365 HZ PHE 46 HZ PHE 46 4.695 -22.651 10.591 366 H GLY 47 HN GLY 47 4.413 -17.944 3.663 367 1HA GLY 47 HA1 GLY 47 6.931 -17.358 2.335 368 2HA GLY 47 HA2 GLY 47 5.931 -18.568 1.550 369 H LEU 48 HN LEU 48 3.998 -16.315 3.136 370 HA LEU 48 HA LEU 48 3.324 -15.078 0.582 371 1HB LEU 48 HB2 LEU 48 1.873 -14.614 3.169 372 2HB LEU 48 HB1 LEU 48 1.266 -14.452 1.534 373 HG LEU 48 HG LEU 48 1.683 -16.950 3.143 374 1HD1 LEU 48 HD11 LEU 48 -0.512 -16.662 3.374 375 2HD1 LEU 48 HD12 LEU 48 -0.658 -17.080 1.666 376 3HD1 LEU 48 HD13 LEU 48 -0.547 -15.388 2.154 377 1HD2 LEU 48 HD21 LEU 48 1.131 -18.201 1.031 378 2HD2 LEU 48 HD22 LEU 48 2.760 -17.533 1.117 379 3HD2 LEU 48 HD23 LEU 48 1.526 -16.727 0.148 380 H VAL 49 HN VAL 49 4.599 -13.403 0.109 381 HA VAL 49 HA VAL 49 5.467 -11.576 2.189 382 HB VAL 49 HB VAL 49 6.193 -11.904 -0.706 383 1HG1 VAL 49 HG21 VAL 49 6.328 -9.474 0.824 384 2HG1 VAL 49 HG22 VAL 49 6.754 -9.762 -0.864 385 3HG1 VAL 49 HG23 VAL 49 7.948 -10.033 0.406 386 1HG2 VAL 49 HG11 VAL 49 7.257 -12.787 1.815 387 2HG2 VAL 49 HG12 VAL 49 8.452 -11.836 0.932 388 3HG2 VAL 49 HG13 VAL 49 7.720 -13.253 0.177 389 H ALA 50 HN ALA 50 4.568 -9.701 2.613 390 HA ALA 50 HA ALA 50 2.475 -8.648 0.892 391 1HB ALA 50 HB1 ALA 50 3.398 -7.668 3.590 392 2HB ALA 50 HB2 ALA 50 2.142 -8.882 3.345 393 3HB ALA 50 HB3 ALA 50 1.902 -7.236 2.755 394 H LEU 51 HN LEU 51 2.441 -6.546 0.109 395 HA LEU 51 HA LEU 51 5.070 -5.245 -0.070 396 1HB LEU 51 HB1 LEU 51 2.708 -5.362 -1.912 397 2HB LEU 51 HB2 LEU 51 3.816 -4.005 -2.005 398 HG LEU 51 HG LEU 51 5.677 -5.584 -2.428 399 1HD1 LEU 51 HD11 LEU 51 3.529 -7.687 -2.629 400 2HD1 LEU 51 HD12 LEU 51 4.637 -7.516 -1.267 401 3HD1 LEU 51 HD13 LEU 51 5.263 -7.903 -2.871 402 1HD2 LEU 51 HD21 LEU 51 3.981 -4.581 -4.196 403 2HD2 LEU 51 HD22 LEU 51 3.634 -6.291 -4.458 404 3HD2 LEU 51 HD23 LEU 51 5.276 -5.681 -4.663 405 H ASN 52 HN ASN 52 5.294 -3.589 1.260 406 HA ASN 52 HA ASN 52 2.956 -2.201 2.290 407 1HB ASN 52 HB1 ASN 52 5.831 -1.592 2.979 408 2HB ASN 52 HB2 ASN 52 4.391 -1.309 3.950 409 1HD2 ASN 52 HD22 ASN 52 6.748 -2.660 4.775 410 2HD2 ASN 52 HD21 ASN 52 6.306 -4.284 5.161 411 H VAL 53 HN VAL 53 2.248 -1.035 0.566 412 HA VAL 53 HA VAL 53 4.008 0.694 -0.903 413 HB VAL 53 HB VAL 53 0.997 0.638 -1.052 414 1HG1 VAL 53 HG21 VAL 53 2.337 0.992 -3.547 415 2HG1 VAL 53 HG22 VAL 53 2.994 2.136 -2.376 416 3HG1 VAL 53 HG23 VAL 53 1.261 2.104 -2.700 417 1HG2 VAL 53 HG11 VAL 53 2.041 -1.646 -1.250 418 2HG2 VAL 53 HG12 VAL 53 2.858 -1.058 -2.699 419 3HG2 VAL 53 HG13 VAL 53 1.097 -1.114 -2.641 420 H MET 54 HN MET 54 4.720 2.445 0.111 421 HA MET 54 HA MET 54 3.025 3.976 1.895 422 1HB MET 54 HB1 MET 54 5.863 4.415 0.936 423 2HB MET 54 HB2 MET 54 5.049 5.422 2.124 424 1HG MET 54 HG1 MET 54 5.078 3.762 3.738 425 2HG MET 54 HG2 MET 54 5.309 2.478 2.554 426 1HE MET 54 HE1 MET 54 8.028 1.457 3.988 427 2HE MET 54 HE2 MET 54 6.583 2.078 4.785 428 3HE MET 54 HE3 MET 54 8.166 2.750 5.180 429 H VAL 55 HN VAL 55 2.880 6.369 1.593 430 HA VAL 55 HA VAL 55 2.836 7.174 -1.220 431 HB VAL 55 HB VAL 55 0.600 7.870 -1.236 432 1HG1 VAL 55 HG11 VAL 55 0.546 5.321 0.363 433 2HG1 VAL 55 HG12 VAL 55 0.911 5.410 -1.361 434 3HG1 VAL 55 HG13 VAL 55 -0.680 5.892 -0.771 435 1HG2 VAL 55 HG21 VAL 55 0.516 8.971 0.921 436 2HG2 VAL 55 HG22 VAL 55 0.521 7.409 1.741 437 3HG2 VAL 55 HG23 VAL 55 -0.858 7.879 0.745 438 H VAL 56 HN VAL 56 3.328 9.289 -1.571 439 HA VAL 56 HA VAL 56 4.041 10.865 0.796 440 HB VAL 56 HB VAL 56 4.635 12.185 -1.707 441 1HG1 VAL 56 HG11 VAL 56 6.790 11.133 0.010 442 2HG1 VAL 56 HG12 VAL 56 5.618 12.196 0.790 443 3HG1 VAL 56 HG13 VAL 56 6.524 12.760 -0.614 444 1HG2 VAL 56 HG21 VAL 56 5.424 9.320 -1.441 445 2HG2 VAL 56 HG22 VAL 56 6.530 10.463 -2.203 446 3HG2 VAL 56 HG23 VAL 56 4.915 10.220 -2.871 447 H VAL 57 HN VAL 57 2.498 12.147 1.564 448 HA VAL 57 HA VAL 57 0.891 13.696 -0.352 449 HB VAL 57 HB VAL 57 -1.060 13.521 1.118 450 1HG1 VAL 57 HG21 VAL 57 -0.633 10.680 0.837 451 2HG1 VAL 57 HG22 VAL 57 -0.049 11.557 -0.577 452 3HG1 VAL 57 HG23 VAL 57 -1.721 11.748 -0.051 453 1HG2 VAL 57 HG11 VAL 57 0.514 12.975 3.142 454 2HG2 VAL 57 HG12 VAL 57 0.220 11.307 2.651 455 3HG2 VAL 57 HG13 VAL 57 -1.134 12.348 3.092 456 H GLY 58 HN GLY 58 0.430 15.804 0.211 457 1HA GLY 58 HA2 GLY 58 0.795 16.911 2.778 458 2HA GLY 58 HA1 GLY 58 2.262 17.155 1.840 459 H ASP 59 HN ASP 59 1.742 17.981 -0.490 460 HA ASP 59 HA ASP 59 0.287 20.451 -0.142 461 1HB ASP 59 HB1 ASP 59 2.192 19.343 -2.126 462 2HB ASP 59 HB2 ASP 59 1.027 20.513 -2.739 463 H ALA 60 HN ALA 60 -0.496 17.364 -1.053 464 HA ALA 60 HA ALA 60 -2.305 17.807 -3.185 465 1HB ALA 60 HB1 ALA 60 -1.268 15.617 -2.501 466 2HB ALA 60 HB2 ALA 60 -2.994 15.566 -2.858 467 3HB ALA 60 HB3 ALA 60 -2.439 15.568 -1.184 468 H GLU 61 HN GLU 61 -4.495 16.240 -1.860 469 HA GLU 61 HA GLU 61 -5.627 18.156 0.011 470 1HB GLU 61 HB1 GLU 61 -7.802 17.911 -1.513 471 2HB GLU 61 HB2 GLU 61 -6.634 19.204 -1.749 472 1HG GLU 61 HG1 GLU 61 -5.511 17.567 -3.401 473 2HG GLU 61 HG2 GLU 61 -7.061 16.727 -3.364 474 H GLY 62 HN GLY 62 -8.256 17.195 -0.058 475 1HA GLY 62 HA1 GLY 62 -7.901 14.701 1.357 476 2HA GLY 62 HA2 GLY 62 -9.408 15.586 1.157 477 H GLY 63 HN GLY 63 -7.749 15.171 -1.749 478 1HA GLY 63 HA2 GLY 63 -9.786 13.505 -2.839 479 2HA GLY 63 HA1 GLY 63 -8.307 13.996 -3.648 480 H THR 64 HN THR 64 -7.097 12.746 -0.971 481 HA THR 64 HA THR 64 -6.408 10.263 -2.226 482 HB THR 64 HB THR 64 -4.837 9.994 -0.569 483 HG1 THR 64 HG1 THR 64 -6.667 11.293 1.149 484 1HG2 THR 64 HG21 THR 64 -3.901 12.113 0.127 485 2HG2 THR 64 HG22 THR 64 -5.397 12.937 -0.317 486 3HG2 THR 64 HG23 THR 64 -4.406 12.176 -1.562 487 H GLU 65 HN GLU 65 -9.087 11.255 -0.603 488 HA GLU 65 HA GLU 65 -9.752 9.186 1.150 489 1HB GLU 65 HB2 GLU 65 -12.110 9.787 0.612 490 2HB GLU 65 HB1 GLU 65 -11.111 11.173 1.017 491 1HG GLU 65 HG2 GLU 65 -11.134 11.992 -1.124 492 2HG GLU 65 HG1 GLU 65 -11.440 10.411 -1.839 493 H ALA 66 HN ALA 66 -9.546 9.328 -2.260 494 HA ALA 66 HA ALA 66 -11.240 7.285 -3.077 495 1HB ALA 66 HB1 ALA 66 -9.702 7.052 -5.026 496 2HB ALA 66 HB2 ALA 66 -8.596 8.167 -4.222 497 3HB ALA 66 HB3 ALA 66 -10.206 8.709 -4.696 498 H ALA 67 HN ALA 67 -8.126 7.123 -1.519 499 HA ALA 67 HA ALA 67 -7.424 4.481 -2.113 500 1HB ALA 67 HB1 ALA 67 -5.963 6.187 -1.011 501 2HB ALA 67 HB2 ALA 67 -5.931 4.593 -0.256 502 3HB ALA 67 HB3 ALA 67 -6.858 5.900 0.482 503 H GLU 68 HN GLU 68 -9.075 5.745 0.789 504 HA GLU 68 HA GLU 68 -9.708 3.255 1.906 505 1HB GLU 68 HB1 GLU 68 -11.234 5.857 2.153 506 2HB GLU 68 HB2 GLU 68 -11.381 4.473 3.227 507 1HG GLU 68 HG2 GLU 68 -8.770 4.861 3.465 508 2HG GLU 68 HG1 GLU 68 -9.236 6.503 3.024 509 H GLU 69 HN GLU 69 -11.308 5.195 -0.539 510 HA GLU 69 HA GLU 69 -13.785 3.854 -0.591 511 1HB GLU 69 HB1 GLU 69 -12.498 5.921 -2.056 512 2HB GLU 69 HB2 GLU 69 -13.058 4.727 -3.218 513 1HG GLU 69 HG1 GLU 69 -14.966 5.545 -1.114 514 2HG GLU 69 HG2 GLU 69 -14.574 6.735 -2.354 515 H SER 70 HN SER 70 -10.830 3.431 -2.506 516 HA SER 70 HA SER 70 -11.757 1.214 -4.001 517 1HB SER 70 HB1 SER 70 -9.744 2.759 -4.481 518 2HB SER 70 HB2 SER 70 -8.859 1.728 -3.357 519 HG SER 70 HG SER 70 -8.579 0.918 -5.415 520 H LEU 71 HN LEU 71 -10.619 1.579 -0.793 521 HA LEU 71 HA LEU 71 -9.658 -1.069 -0.388 522 1HB LEU 71 HB2 LEU 71 -9.926 1.340 1.129 523 2HB LEU 71 HB1 LEU 71 -10.574 0.008 2.063 524 HG LEU 71 HG LEU 71 -8.243 0.370 2.620 525 1HD1 LEU 71 HD11 LEU 71 -7.594 -2.025 1.282 526 2HD1 LEU 71 HD12 LEU 71 -9.318 -2.086 1.652 527 3HD1 LEU 71 HD13 LEU 71 -8.146 -1.818 2.943 528 1HD2 LEU 71 HD21 LEU 71 -7.547 -0.273 -0.234 529 2HD2 LEU 71 HD22 LEU 71 -6.468 0.253 1.057 530 3HD2 LEU 71 HD23 LEU 71 -7.656 1.372 0.391 531 H SER 72 HN SER 72 -12.777 0.452 -0.268 532 HA SER 72 HA SER 72 -14.160 -1.453 1.274 533 1HB SER 72 HB1 SER 72 -14.792 0.940 0.059 534 2HB SER 72 HB2 SER 72 -15.728 -0.226 -0.878 535 HG SER 72 HG SER 72 -15.815 -0.586 1.855 536 H GLY 73 HN GLY 73 -12.819 -1.645 -1.831 537 1HA GLY 73 HA2 GLY 73 -13.969 -4.296 -2.208 538 2HA GLY 73 HA1 GLY 73 -14.297 -3.122 -3.473 539 H ILE 74 HN ILE 74 -11.346 -3.106 -1.670 540 HA ILE 74 HA ILE 74 -9.757 -3.261 -4.028 541 HB ILE 74 HB ILE 74 -9.317 -2.026 -1.781 542 1HG1 ILE 74 HG12 ILE 74 -6.748 -3.165 -2.527 543 2HG1 ILE 74 HG11 ILE 74 -7.722 -2.756 -3.937 544 1HG2 ILE 74 HG21 ILE 74 -9.224 -4.558 -0.776 545 2HG2 ILE 74 HG22 ILE 74 -8.535 -3.128 -0.007 546 3HG2 ILE 74 HG23 ILE 74 -7.515 -4.179 -0.987 547 1HD1 ILE 74 HD11 ILE 74 -6.164 -1.043 -2.376 548 2HD1 ILE 74 HD12 ILE 74 -7.843 -0.631 -2.025 549 3HD1 ILE 74 HD13 ILE 74 -7.258 -0.612 -3.689 550 H GLU 75 HN GLU 75 -7.545 -4.777 -3.115 551 HA GLU 75 HA GLU 75 -8.041 -7.297 -4.135 552 1HB GLU 75 HB1 GLU 75 -5.907 -7.922 -2.860 553 2HB GLU 75 HB2 GLU 75 -5.791 -6.579 -3.994 554 1HG GLU 75 HG1 GLU 75 -6.509 -5.674 -1.349 555 2HG GLU 75 HG2 GLU 75 -4.999 -6.584 -1.349 556 H GLY 76 HN GLY 76 -9.900 -8.211 -3.286 557 1HA GLY 76 HA1 GLY 76 -10.538 -8.454 -0.573 558 2HA GLY 76 HA2 GLY 76 -11.173 -9.470 -1.856 559 H VAL 77 HN VAL 77 -8.342 -10.302 -2.511 560 HA VAL 77 HA VAL 77 -8.266 -12.514 -0.633 561 HB VAL 77 HB VAL 77 -7.929 -12.675 -3.185 562 1HG1 VAL 77 HG11 VAL 77 -6.106 -10.862 -3.073 563 2HG1 VAL 77 HG12 VAL 77 -5.851 -12.257 -4.121 564 3HG1 VAL 77 HG13 VAL 77 -5.050 -12.176 -2.553 565 1HG2 VAL 77 HG21 VAL 77 -7.675 -14.635 -1.925 566 2HG2 VAL 77 HG22 VAL 77 -6.222 -14.035 -1.121 567 3HG2 VAL 77 HG23 VAL 77 -6.163 -14.499 -2.822 568 H SER 78 HN SER 78 -6.357 -9.752 -1.570 569 HA SER 78 HA SER 78 -4.308 -10.369 0.401 570 1HB SER 78 HB1 SER 78 -3.295 -9.635 -1.593 571 2HB SER 78 HB2 SER 78 -4.532 -8.409 -1.871 572 HG SER 78 HG SER 78 -3.620 -7.129 -0.347 573 H ASN 79 HN ASN 79 -5.288 -9.941 2.380 574 HA ASN 79 HA ASN 79 -6.666 -7.430 2.803 575 1HB ASN 79 HB2 ASN 79 -7.005 -9.671 4.136 576 2HB ASN 79 HB1 ASN 79 -5.659 -9.066 5.096 577 1HD2 ASN 79 HD21 ASN 79 -6.225 -6.290 5.075 578 2HD2 ASN 79 HD22 ASN 79 -7.698 -6.038 5.938 579 H ILE 80 HN ILE 80 -5.808 -5.608 3.400 580 HA ILE 80 HA ILE 80 -2.923 -5.536 3.688 581 HB ILE 80 HB ILE 80 -4.829 -3.241 3.331 582 1HG1 ILE 80 HG11 ILE 80 -3.715 -3.594 0.879 583 2HG1 ILE 80 HG12 ILE 80 -3.871 -5.265 1.412 584 1HG2 ILE 80 HG21 ILE 80 -2.286 -2.889 2.119 585 2HG2 ILE 80 HG22 ILE 80 -2.065 -3.393 3.794 586 3HG2 ILE 80 HG23 ILE 80 -3.036 -1.970 3.421 587 1HD1 ILE 80 HD11 ILE 80 -5.889 -5.023 0.433 588 2HD1 ILE 80 HD12 ILE 80 -5.953 -3.285 0.736 589 3HD1 ILE 80 HD13 ILE 80 -6.308 -4.422 2.038 590 H GLU 81 HN GLU 81 -1.854 -4.387 5.257 591 HA GLU 81 HA GLU 81 -3.272 -4.001 7.775 592 1HB GLU 81 HB2 GLU 81 -1.020 -5.129 7.734 593 2HB GLU 81 HB1 GLU 81 -0.331 -3.613 7.170 594 1HG GLU 81 HG1 GLU 81 -0.032 -3.054 9.288 595 2HG GLU 81 HG2 GLU 81 -1.784 -2.929 9.437 596 H VAL 82 HN VAL 82 -4.519 -2.393 6.623 597 HA VAL 82 HA VAL 82 -3.253 -0.014 5.666 598 HB VAL 82 HB VAL 82 -6.178 -0.680 6.089 599 1HG1 VAL 82 HG21 VAL 82 -5.987 1.177 4.050 600 2HG1 VAL 82 HG22 VAL 82 -4.796 1.750 5.220 601 3HG1 VAL 82 HG23 VAL 82 -6.477 1.523 5.708 602 1HG2 VAL 82 HG11 VAL 82 -5.961 -0.809 3.490 603 2HG2 VAL 82 HG12 VAL 82 -5.532 -2.191 4.503 604 3HG2 VAL 82 HG13 VAL 82 -4.268 -1.142 3.854 605 H THR 83 HN THR 83 -2.355 -0.139 8.120 606 HA THR 83 HA THR 83 -3.816 1.980 9.521 607 HB THR 83 HB THR 83 -2.445 -0.166 11.103 608 HG1 THR 83 HG1 THR 83 -4.707 -1.010 11.271 609 1HG2 THR 83 HG21 THR 83 -3.427 0.722 12.889 610 2HG2 THR 83 HG22 THR 83 -4.955 0.978 12.044 611 3HG2 THR 83 HG23 THR 83 -3.643 2.144 11.868 612 H ASP 84 HN ASP 84 -1.078 1.322 7.927 613 HA ASP 84 HA ASP 84 0.811 2.270 9.917 614 1HB ASP 84 HB2 ASP 84 1.111 1.482 7.022 615 2HB ASP 84 HB1 ASP 84 2.442 2.091 8.001 616 H VAL 85 HN VAL 85 1.512 4.291 10.159 617 HA VAL 85 HA VAL 85 1.207 6.232 8.020 618 HB VAL 85 HB VAL 85 -0.913 6.202 9.416 619 1HG1 VAL 85 HG11 VAL 85 -0.783 7.545 11.521 620 2HG1 VAL 85 HG12 VAL 85 0.972 7.382 11.443 621 3HG1 VAL 85 HG13 VAL 85 -0.040 5.948 11.616 622 1HG2 VAL 85 HG21 VAL 85 -1.139 8.179 8.432 623 2HG2 VAL 85 HG22 VAL 85 0.614 8.359 8.346 624 3HG2 VAL 85 HG23 VAL 85 -0.262 8.927 9.767 625 H ARG 86 HN ARG 86 2.727 7.792 8.042 626 HA ARG 86 HA ARG 86 4.448 8.079 10.395 627 1HB ARG 86 HB2 ARG 86 5.358 8.033 7.544 628 2HB ARG 86 HB1 ARG 86 6.377 8.113 8.966 629 1HG ARG 86 HG1 ARG 86 6.543 5.928 8.378 630 2HG ARG 86 HG2 ARG 86 5.258 5.856 9.572 631 1HD ARG 86 HD1 ARG 86 3.641 5.982 7.647 632 2HD ARG 86 HD2 ARG 86 5.024 5.776 6.569 633 HE ARG 86 HE ARG 86 3.693 3.739 8.013 634 1HH1 ARG 86 HH21 ARG 86 6.885 4.747 7.036 635 2HH1 ARG 86 HH22 ARG 86 7.533 3.141 7.042 636 1HH2 ARG 86 HH12 ARG 86 4.540 1.623 8.023 637 2HH2 ARG 86 HH11 ARG 86 6.201 1.365 7.603 638 H ARG 87 HN ARG 87 3.992 10.076 11.087 639 HA ARG 87 HA ARG 87 3.448 12.236 9.241 640 1HB ARG 87 HB1 ARG 87 3.481 11.962 12.227 641 2HB ARG 87 HB2 ARG 87 3.479 13.560 11.493 642 1HG ARG 87 HG1 ARG 87 1.463 11.771 10.380 643 2HG ARG 87 HG2 ARG 87 1.264 12.079 12.106 644 1HD ARG 87 HD2 ARG 87 1.509 14.536 11.562 645 2HD ARG 87 HD1 ARG 87 1.363 14.083 9.864 646 HE ARG 87 HE ARG 87 -0.751 13.292 11.731 647 1HH1 ARG 87 HH21 ARG 87 0.322 15.229 9.041 648 2HH1 ARG 87 HH22 ARG 87 -1.280 15.687 8.567 649 1HH2 ARG 87 HH11 ARG 87 -2.862 13.890 11.114 650 2HH2 ARG 87 HH12 ARG 87 -3.089 14.926 9.744 651 H LEU 88 HN LEU 88 5.399 12.491 8.095 652 HA LEU 88 HA LEU 88 7.854 12.985 9.536 653 1HB LEU 88 HB1 LEU 88 7.985 13.824 6.796 654 2HB LEU 88 HB2 LEU 88 8.860 12.547 7.614 655 HG LEU 88 HG LEU 88 6.064 12.148 6.587 656 1HD1 LEU 88 HD11 LEU 88 7.932 12.894 4.887 657 2HD1 LEU 88 HD12 LEU 88 6.804 11.594 4.498 658 3HD1 LEU 88 HD13 LEU 88 8.433 11.209 5.055 659 1HD2 LEU 88 HD21 LEU 88 8.041 9.975 6.712 660 2HD2 LEU 88 HD22 LEU 88 6.335 9.991 7.162 661 3HD2 LEU 88 HD23 LEU 88 7.546 10.649 8.268 662 H MET 89 HN MET 89 7.435 14.823 10.768 663 HA MET 89 HA MET 89 6.659 17.270 9.382 664 1HB MET 89 HB2 MET 89 6.276 16.266 12.004 665 2HB MET 89 HB1 MET 89 7.272 17.708 12.146 666 1HG MET 89 HG1 MET 89 5.639 19.083 11.255 667 2HG MET 89 HG2 MET 89 4.789 17.743 10.487 668 1HE MET 89 HE1 MET 89 2.556 16.275 13.110 669 2HE MET 89 HE2 MET 89 4.108 15.569 12.662 670 3HE MET 89 HE3 MET 89 3.102 16.339 11.435 Start of MODEL 28 1 1H MET 1 HT1 MET 1 9.982 19.308 9.549 2 2H MET 1 HT2 MET 1 9.836 18.182 10.836 3 3H MET 1 HT3 MET 1 8.631 19.381 10.604 4 HA MET 1 HA MET 1 9.283 17.340 8.599 5 1HB MET 1 HB1 MET 1 6.949 16.496 9.609 6 2HB MET 1 HB2 MET 1 8.502 15.924 10.205 7 1HG MET 1 HG1 MET 1 8.165 18.090 11.766 8 2HG MET 1 HG2 MET 1 6.485 17.629 11.497 9 1HE MET 1 HE1 MET 1 9.647 14.674 12.808 10 2HE MET 1 HE2 MET 1 9.865 16.229 13.613 11 3HE MET 1 HE3 MET 1 9.859 16.141 11.852 12 H GLY 2 HN GLY 2 6.993 16.884 7.514 13 1HA GLY 2 HA1 GLY 2 5.048 18.858 7.318 14 2HA GLY 2 HA2 GLY 2 6.293 19.282 6.153 15 H ASP 3 HN ASP 3 6.684 16.165 6.118 16 HA ASP 3 HA ASP 3 4.869 15.793 3.854 17 1HB ASP 3 HB1 ASP 3 7.071 13.904 4.645 18 2HB ASP 3 HB2 ASP 3 6.338 14.133 3.061 19 H VAL 4 HN VAL 4 3.163 14.474 3.923 20 HA VAL 4 HA VAL 4 2.756 12.837 6.318 21 HB VAL 4 HB VAL 4 0.729 13.182 4.132 22 1HG1 VAL 4 HG21 VAL 4 -0.842 12.578 5.742 23 2HG1 VAL 4 HG22 VAL 4 0.246 12.951 7.079 24 3HG1 VAL 4 HG23 VAL 4 0.531 11.526 6.082 25 1HG2 VAL 4 HG11 VAL 4 1.801 15.269 5.798 26 2HG2 VAL 4 HG12 VAL 4 0.094 15.003 6.154 27 3HG2 VAL 4 HG13 VAL 4 0.605 15.369 4.507 28 H VAL 5 HN VAL 5 3.671 10.863 6.148 29 HA VAL 5 HA VAL 5 3.542 9.475 3.561 30 HB VAL 5 HB VAL 5 5.263 8.948 5.989 31 1HG1 VAL 5 HG11 VAL 5 5.338 6.844 5.221 32 2HG1 VAL 5 HG12 VAL 5 6.357 7.506 3.940 33 3HG1 VAL 5 HG13 VAL 5 4.630 7.285 3.666 34 1HG2 VAL 5 HG21 VAL 5 7.072 9.794 4.737 35 2HG2 VAL 5 HG22 VAL 5 5.759 10.951 4.517 36 3HG2 VAL 5 HG23 VAL 5 6.140 9.794 3.240 37 H ALA 6 HN ALA 6 1.758 8.234 3.380 38 HA ALA 6 HA ALA 6 0.815 6.727 5.715 39 1HB ALA 6 HB1 ALA 6 -0.493 7.074 3.020 40 2HB ALA 6 HB2 ALA 6 -0.846 8.034 4.456 41 3HB ALA 6 HB3 ALA 6 -1.205 6.307 4.440 42 H THR 7 HN THR 7 0.813 4.480 5.770 43 HA THR 7 HA THR 7 2.122 3.167 3.484 44 HB THR 7 HB THR 7 2.426 2.354 6.367 45 HG1 THR 7 HG1 THR 7 3.439 4.316 6.135 46 1HG2 THR 7 HG21 THR 7 3.866 1.529 3.862 47 2HG2 THR 7 HG22 THR 7 2.908 0.516 4.946 48 3HG2 THR 7 HG23 THR 7 4.443 1.188 5.496 49 H ILE 8 HN ILE 8 1.266 1.473 2.637 50 HA ILE 8 HA ILE 8 -1.042 0.153 3.922 51 HB ILE 8 HB ILE 8 -0.607 0.458 0.956 52 1HG1 ILE 8 HG12 ILE 8 -0.716 2.693 2.168 53 2HG1 ILE 8 HG11 ILE 8 -1.916 2.437 0.906 54 1HG2 ILE 8 HG21 ILE 8 -3.208 0.299 1.156 55 2HG2 ILE 8 HG22 ILE 8 -2.820 -0.458 2.704 56 3HG2 ILE 8 HG23 ILE 8 -2.196 -1.146 1.204 57 1HD1 ILE 8 HD11 ILE 8 -2.386 3.269 3.497 58 2HD1 ILE 8 HD12 ILE 8 -2.895 1.581 3.483 59 3HD1 ILE 8 HD13 ILE 8 -3.587 2.720 2.328 60 H LYS 9 HN LYS 9 -0.370 -1.874 4.531 61 HA LYS 9 HA LYS 9 1.621 -3.263 2.879 62 1HB LYS 9 HB1 LYS 9 0.792 -4.532 5.390 63 2HB LYS 9 HB2 LYS 9 2.398 -4.254 4.733 64 1HG LYS 9 HG2 LYS 9 0.933 -1.876 5.701 65 2HG LYS 9 HG1 LYS 9 1.474 -3.025 6.916 66 1HD LYS 9 HD2 LYS 9 3.390 -2.133 4.826 67 2HD LYS 9 HD1 LYS 9 3.007 -1.059 6.171 68 1HE LYS 9 HE1 LYS 9 3.646 -2.812 7.754 69 2HE LYS 9 HE2 LYS 9 4.049 -3.875 6.406 70 1HZ LYS 9 HZ1 LYS 9 6.090 -3.028 6.764 71 2HZ LYS 9 HZ2 LYS 9 5.515 -1.610 7.484 72 3HZ LYS 9 HZ3 LYS 9 5.525 -1.759 5.800 73 H VAL 10 HN VAL 10 0.435 -4.149 1.226 74 HA VAL 10 HA VAL 10 -1.920 -5.734 1.849 75 HB VAL 10 HB VAL 10 -2.633 -5.307 -0.222 76 1HG1 VAL 10 HG21 VAL 10 -0.548 -3.563 -1.171 77 2HG1 VAL 10 HG22 VAL 10 -0.869 -3.280 0.540 78 3HG1 VAL 10 HG23 VAL 10 -2.181 -3.173 -0.634 79 1HG2 VAL 10 HG11 VAL 10 -1.525 -5.810 -2.233 80 2HG2 VAL 10 HG12 VAL 10 -0.987 -7.033 -1.083 81 3HG2 VAL 10 HG13 VAL 10 0.068 -5.677 -1.485 82 H MET 11 HN MET 11 -2.118 -7.924 1.713 83 HA MET 11 HA MET 11 0.003 -9.476 0.494 84 1HB MET 11 HB2 MET 11 0.837 -10.538 2.339 85 2HB MET 11 HB1 MET 11 0.429 -8.988 3.057 86 1HG MET 11 HG1 MET 11 -1.184 -9.844 4.355 87 2HG MET 11 HG2 MET 11 -1.713 -10.996 3.133 88 1HE MET 11 HE1 MET 11 0.223 -14.132 3.715 89 2HE MET 11 HE2 MET 11 -0.411 -13.061 2.466 90 3HE MET 11 HE3 MET 11 -1.463 -13.616 3.768 91 HA PRO 12 HA PRO 12 -3.704 -11.704 -0.674 92 1HB PRO 12 HB1 PRO 12 -1.784 -13.476 -2.050 93 2HB PRO 12 HB2 PRO 12 -3.101 -12.507 -2.720 94 1HG PRO 12 HG1 PRO 12 -0.555 -11.818 -3.121 95 2HG PRO 12 HG2 PRO 12 -1.803 -10.587 -2.846 96 1HD PRO 12 HD2 PRO 12 0.181 -11.734 -0.893 97 2HD PRO 12 HD1 PRO 12 -0.242 -10.031 -1.187 98 H GLU 13 HN GLU 13 -4.668 -13.070 0.633 99 HA GLU 13 HA GLU 13 -3.448 -14.671 2.547 100 1HB GLU 13 HB1 GLU 13 -6.134 -14.167 1.607 101 2HB GLU 13 HB2 GLU 13 -5.922 -15.868 1.998 102 1HG GLU 13 HG2 GLU 13 -5.877 -15.476 4.188 103 2HG GLU 13 HG1 GLU 13 -4.807 -14.086 4.011 104 H SER 14 HN SER 14 -4.250 -15.328 -0.776 105 HA SER 14 HA SER 14 -3.915 -18.174 -0.548 106 1HB SER 14 HB2 SER 14 -4.000 -16.430 -3.025 107 2HB SER 14 HB1 SER 14 -4.150 -18.187 -2.989 108 HG SER 14 HG SER 14 -6.195 -17.858 -2.708 109 HA PRO 15 HA PRO 15 0.463 -18.421 -0.957 110 1HB PRO 15 HB2 PRO 15 0.713 -20.742 -2.374 111 2HB PRO 15 HB1 PRO 15 0.323 -20.690 -0.652 112 1HG PRO 15 HG2 PRO 15 -1.502 -21.032 -3.001 113 2HG PRO 15 HG1 PRO 15 -1.507 -21.887 -1.445 114 1HD PRO 15 HD2 PRO 15 -3.225 -19.878 -1.981 115 2HD PRO 15 HD1 PRO 15 -2.572 -20.151 -0.352 116 H ASP 16 HN ASP 16 -1.625 -17.962 -3.546 117 HA ASP 16 HA ASP 16 0.471 -17.862 -5.573 118 1HB ASP 16 HB1 ASP 16 -1.469 -17.207 -7.075 119 2HB ASP 16 HB2 ASP 16 -1.560 -18.819 -6.371 120 H VAL 17 HN VAL 17 0.655 -16.053 -3.380 121 HA VAL 17 HA VAL 17 -0.349 -13.503 -4.066 122 HB VAL 17 HB VAL 17 0.137 -13.297 -1.912 123 1HG1 VAL 17 HG11 VAL 17 2.368 -14.638 -1.104 124 2HG1 VAL 17 HG12 VAL 17 1.734 -15.661 -2.395 125 3HG1 VAL 17 HG13 VAL 17 0.705 -15.229 -1.028 126 1HG2 VAL 17 HG21 VAL 17 1.740 -11.710 -2.968 127 2HG2 VAL 17 HG22 VAL 17 3.005 -12.914 -2.726 128 3HG2 VAL 17 HG23 VAL 17 2.173 -12.218 -1.333 129 H ASP 18 HN ASP 18 0.122 -13.122 -6.182 130 HA ASP 18 HA ASP 18 2.744 -13.276 -7.323 131 1HB ASP 18 HB1 ASP 18 0.114 -12.135 -8.194 132 2HB ASP 18 HB2 ASP 18 1.582 -11.725 -9.078 133 H LEU 19 HN LEU 19 4.284 -12.092 -6.472 134 HA LEU 19 HA LEU 19 3.951 -9.687 -5.100 135 1HB LEU 19 HB1 LEU 19 5.996 -11.454 -5.508 136 2HB LEU 19 HB2 LEU 19 6.541 -10.089 -6.462 137 HG LEU 19 HG LEU 19 7.476 -10.049 -4.204 138 1HD1 LEU 19 HD11 LEU 19 5.472 -7.827 -4.538 139 2HD1 LEU 19 HD12 LEU 19 6.972 -7.947 -5.457 140 3HD1 LEU 19 HD13 LEU 19 7.024 -7.763 -3.704 141 1HD2 LEU 19 HD21 LEU 19 5.678 -11.195 -3.033 142 2HD2 LEU 19 HD22 LEU 19 4.612 -9.816 -3.299 143 3HD2 LEU 19 HD23 LEU 19 6.035 -9.644 -2.273 144 H GLU 20 HN GLU 20 5.233 -10.199 -8.393 145 HA GLU 20 HA GLU 20 5.426 -7.419 -8.918 146 1HB GLU 20 HB2 GLU 20 5.965 -8.017 -11.168 147 2HB GLU 20 HB1 GLU 20 6.778 -9.124 -10.074 148 1HG GLU 20 HG2 GLU 20 4.146 -10.028 -10.955 149 2HG GLU 20 HG1 GLU 20 5.314 -9.820 -12.257 150 H ALA 21 HN ALA 21 2.912 -9.806 -9.472 151 HA ALA 21 HA ALA 21 1.349 -8.113 -11.164 152 1HB ALA 21 HB1 ALA 21 0.156 -10.272 -9.474 153 2HB ALA 21 HB2 ALA 21 1.166 -10.674 -10.864 154 3HB ALA 21 HB3 ALA 21 -0.310 -9.734 -11.088 155 H LEU 22 HN LEU 22 1.671 -8.664 -7.750 156 HA LEU 22 HA LEU 22 -0.572 -7.132 -6.911 157 1HB LEU 22 HB2 LEU 22 1.027 -8.788 -5.579 158 2HB LEU 22 HB1 LEU 22 1.911 -7.314 -5.253 159 HG LEU 22 HG LEU 22 0.365 -6.536 -3.788 160 1HD1 LEU 22 HD21 LEU 22 -1.866 -7.991 -5.195 161 2HD1 LEU 22 HD22 LEU 22 -1.387 -6.331 -5.547 162 3HD1 LEU 22 HD23 LEU 22 -2.013 -6.749 -3.952 163 1HD2 LEU 22 HD11 LEU 22 0.361 -9.450 -3.811 164 2HD2 LEU 22 HD12 LEU 22 -1.038 -8.743 -2.994 165 3HD2 LEU 22 HD13 LEU 22 0.599 -8.322 -2.477 166 H LYS 23 HN LYS 23 2.743 -6.472 -7.731 167 HA LYS 23 HA LYS 23 3.024 -3.855 -6.824 168 1HB LYS 23 HB2 LYS 23 4.315 -5.609 -8.787 169 2HB LYS 23 HB1 LYS 23 4.377 -3.916 -9.248 170 1HG LYS 23 HG2 LYS 23 6.264 -3.951 -8.039 171 2HG LYS 23 HG1 LYS 23 5.155 -3.717 -6.685 172 1HD LYS 23 HD2 LYS 23 5.472 -5.810 -5.896 173 2HD LYS 23 HD1 LYS 23 5.626 -6.507 -7.511 174 1HE LYS 23 HE1 LYS 23 7.711 -6.565 -6.107 175 2HE LYS 23 HE2 LYS 23 7.884 -5.813 -7.693 176 1HZ LYS 23 HZ1 LYS 23 8.352 -3.838 -6.788 177 2HZ LYS 23 HZ2 LYS 23 8.690 -4.711 -5.378 178 3HZ LYS 23 HZ3 LYS 23 7.177 -3.981 -5.580 179 H LYS 24 HN LYS 24 1.816 -5.074 -9.946 180 HA LYS 24 HA LYS 24 1.243 -2.501 -11.001 181 1HB LYS 24 HB1 LYS 24 -0.256 -4.925 -11.903 182 2HB LYS 24 HB2 LYS 24 0.375 -3.583 -12.849 183 1HG LYS 24 HG1 LYS 24 2.691 -4.482 -12.238 184 2HG LYS 24 HG2 LYS 24 1.844 -5.949 -11.744 185 1HD LYS 24 HD1 LYS 24 1.113 -4.884 -14.393 186 2HD LYS 24 HD2 LYS 24 2.759 -5.507 -14.245 187 1HE LYS 24 HE1 LYS 24 1.936 -7.551 -14.522 188 2HE LYS 24 HE2 LYS 24 1.141 -7.382 -12.958 189 1HZ LYS 24 HZ1 LYS 24 -0.119 -6.340 -15.412 190 2HZ LYS 24 HZ2 LYS 24 -0.845 -6.758 -13.943 191 3HZ LYS 24 HZ3 LYS 24 -0.281 -7.968 -14.982 192 H GLU 25 HN GLU 25 -0.661 -4.860 -9.193 193 HA GLU 25 HA GLU 25 -3.163 -3.532 -9.513 194 1HB GLU 25 HB1 GLU 25 -2.215 -5.446 -7.369 195 2HB GLU 25 HB2 GLU 25 -3.879 -4.920 -7.578 196 1HG GLU 25 HG2 GLU 25 -3.171 -5.852 -10.077 197 2HG GLU 25 HG1 GLU 25 -2.391 -6.979 -8.967 198 H ILE 26 HN ILE 26 -0.467 -3.208 -7.373 199 HA ILE 26 HA ILE 26 -1.691 -1.675 -5.332 200 HB ILE 26 HB ILE 26 1.090 -2.308 -6.156 201 1HG1 ILE 26 HG12 ILE 26 0.380 -2.028 -3.318 202 2HG1 ILE 26 HG11 ILE 26 -0.645 -3.155 -4.201 203 1HG2 ILE 26 HG21 ILE 26 1.825 -0.603 -4.325 204 2HG2 ILE 26 HG22 ILE 26 0.333 0.226 -4.768 205 3HG2 ILE 26 HG23 ILE 26 1.577 -0.062 -5.985 206 1HD1 ILE 26 HD11 ILE 26 2.356 -3.258 -4.065 207 2HD1 ILE 26 HD12 ILE 26 1.312 -4.401 -4.911 208 3HD1 ILE 26 HD13 ILE 26 1.241 -4.276 -3.153 209 H GLN 27 HN GLN 27 -0.137 -0.952 -8.376 210 HA GLN 27 HA GLN 27 0.085 1.818 -8.166 211 1HB GLN 27 HB2 GLN 27 0.699 -0.089 -10.033 212 2HB GLN 27 HB1 GLN 27 -0.607 0.775 -10.827 213 1HG GLN 27 HG1 GLN 27 1.914 2.006 -9.746 214 2HG GLN 27 HG2 GLN 27 1.582 1.647 -11.441 215 1HE2 GLN 27 HE21 GLN 27 0.797 3.682 -8.729 216 2HE2 GLN 27 HE22 GLN 27 0.003 4.923 -9.631 217 H GLU 28 HN GLU 28 -2.564 -0.224 -9.310 218 HA GLU 28 HA GLU 28 -4.189 2.032 -10.068 219 1HB GLU 28 HB2 GLU 28 -5.880 0.413 -10.629 220 2HB GLU 28 HB1 GLU 28 -4.318 -0.121 -11.227 221 1HG GLU 28 HG2 GLU 28 -4.727 -2.053 -10.276 222 2HG GLU 28 HG1 GLU 28 -4.469 -1.254 -8.731 223 H ARG 29 HN ARG 29 -3.650 0.244 -7.206 224 HA ARG 29 HA ARG 29 -6.184 1.001 -6.011 225 1HB ARG 29 HB2 ARG 29 -5.706 -0.491 -4.311 226 2HB ARG 29 HB1 ARG 29 -4.871 -1.222 -5.671 227 1HG ARG 29 HG1 ARG 29 -2.778 -0.621 -4.876 228 2HG ARG 29 HG2 ARG 29 -3.431 0.634 -3.819 229 1HD ARG 29 HD1 ARG 29 -4.425 -1.066 -2.391 230 2HD ARG 29 HD2 ARG 29 -3.839 -2.334 -3.465 231 HE ARG 29 HE ARG 29 -1.851 -2.222 -2.377 232 1HH1 ARG 29 HH21 ARG 29 -3.449 0.857 -2.015 233 2HH1 ARG 29 HH22 ARG 29 -2.214 1.520 -1.000 234 1HH2 ARG 29 HH12 ARG 29 -0.226 -1.354 -1.043 235 2HH2 ARG 29 HH11 ARG 29 -0.383 0.265 -0.448 236 H ILE 30 HN ILE 30 -3.206 2.457 -6.442 237 HA ILE 30 HA ILE 30 -2.737 3.696 -3.964 238 HB ILE 30 HB ILE 30 -2.091 4.617 -6.761 239 1HG1 ILE 30 HG11 ILE 30 -1.009 2.535 -5.828 240 2HG1 ILE 30 HG12 ILE 30 0.107 3.798 -6.324 241 1HG2 ILE 30 HG21 ILE 30 -0.480 5.827 -4.674 242 2HG2 ILE 30 HG22 ILE 30 -2.185 6.262 -4.528 243 3HG2 ILE 30 HG23 ILE 30 -1.320 6.576 -6.032 244 1HD1 ILE 30 HD11 ILE 30 0.286 2.478 -4.004 245 2HD1 ILE 30 HD12 ILE 30 -0.713 3.840 -3.497 246 3HD1 ILE 30 HD13 ILE 30 0.864 4.129 -4.231 247 HA PRO 31 HA PRO 31 -6.134 6.493 -3.353 248 1HB PRO 31 HB2 PRO 31 -4.571 8.600 -2.356 249 2HB PRO 31 HB1 PRO 31 -5.333 7.326 -1.406 250 1HG PRO 31 HG2 PRO 31 -2.528 7.536 -2.395 251 2HG PRO 31 HG1 PRO 31 -3.135 6.881 -0.862 252 1HD PRO 31 HD1 PRO 31 -2.340 5.248 -2.807 253 2HD PRO 31 HD2 PRO 31 -3.783 4.869 -1.842 254 H GLU 32 HN GLU 32 -7.037 7.442 -5.050 255 HA GLU 32 HA GLU 32 -5.696 8.590 -7.212 256 1HB GLU 32 HB1 GLU 32 -8.447 8.237 -6.349 257 2HB GLU 32 HB2 GLU 32 -8.224 9.758 -7.203 258 1HG GLU 32 HG2 GLU 32 -7.058 7.310 -8.404 259 2HG GLU 32 HG1 GLU 32 -8.808 7.510 -8.458 260 H GLY 33 HN GLY 33 -5.744 9.848 -4.187 261 1HA GLY 33 HA1 GLY 33 -6.239 12.613 -4.853 262 2HA GLY 33 HA2 GLY 33 -5.675 11.995 -3.308 263 H THR 34 HN THR 34 -3.340 11.017 -3.509 264 HA THR 34 HA THR 34 -1.724 13.045 -4.903 265 HB THR 34 HB THR 34 -0.605 11.407 -2.673 266 HG1 THR 34 HG1 THR 34 -2.520 13.461 -2.399 267 1HG2 THR 34 HG21 THR 34 -0.214 14.278 -2.619 268 2HG2 THR 34 HG22 THR 34 0.353 13.533 -4.113 269 3HG2 THR 34 HG23 THR 34 0.964 12.966 -2.558 270 H GLU 35 HN GLU 35 0.553 11.097 -3.910 271 HA GLU 35 HA GLU 35 0.316 9.087 -6.028 272 1HB GLU 35 HB2 GLU 35 2.665 9.565 -6.714 273 2HB GLU 35 HB1 GLU 35 1.547 10.873 -7.075 274 1HG GLU 35 HG1 GLU 35 2.316 11.922 -4.892 275 2HG GLU 35 HG2 GLU 35 3.622 10.738 -4.915 276 H LEU 36 HN LEU 36 2.215 7.528 -5.882 277 HA LEU 36 HA LEU 36 2.261 6.492 -3.223 278 1HB LEU 36 HB1 LEU 36 3.937 4.842 -4.362 279 2HB LEU 36 HB2 LEU 36 2.231 4.790 -4.764 280 HG LEU 36 HG LEU 36 3.840 6.554 -6.485 281 1HD1 LEU 36 HD11 LEU 36 4.151 3.806 -7.354 282 2HD1 LEU 36 HD12 LEU 36 5.002 4.131 -5.845 283 3HD1 LEU 36 HD13 LEU 36 5.337 5.108 -7.273 284 1HD2 LEU 36 HD21 LEU 36 1.878 4.341 -7.061 285 2HD2 LEU 36 HD22 LEU 36 2.487 5.528 -8.215 286 3HD2 LEU 36 HD23 LEU 36 1.469 6.047 -6.870 287 H HIS 37 HN HIS 37 4.617 5.492 -2.634 288 HA HIS 37 HA HIS 37 6.558 7.702 -2.695 289 1HB HIS 37 HB1 HIS 37 5.385 7.711 -0.537 290 2HB HIS 37 HB2 HIS 37 5.806 6.024 -0.296 291 HD2 HIS 37 HD2 HIS 37 8.098 5.603 1.016 292 HE1 HIS 37 HE1 HIS 37 9.678 9.507 0.588 293 HE2 HIS 37 HE2 HIS 37 10.025 7.226 1.644 294 H LYS 38 HN LYS 38 6.471 4.545 -1.147 295 HA LYS 38 HA LYS 38 8.312 3.331 -2.978 296 1HB LYS 38 HB2 LYS 38 10.207 3.985 -1.992 297 2HB LYS 38 HB1 LYS 38 9.316 4.829 -0.741 298 1HG LYS 38 HG2 LYS 38 10.620 3.374 0.470 299 2HG LYS 38 HG1 LYS 38 9.095 2.495 0.346 300 1HD LYS 38 HD1 LYS 38 9.950 0.940 -1.097 301 2HD LYS 38 HD2 LYS 38 11.138 2.059 -1.769 302 1HE LYS 38 HE2 LYS 38 11.339 1.090 1.061 303 2HE LYS 38 HE1 LYS 38 11.972 0.133 -0.279 304 1HZ LYS 38 HZ1 LYS 38 13.372 2.003 1.015 305 2HZ LYS 38 HZ2 LYS 38 12.765 2.919 -0.272 306 3HZ LYS 38 HZ3 LYS 38 13.682 1.532 -0.580 307 H ILE 39 HN ILE 39 7.890 1.225 -3.007 308 HA ILE 39 HA ILE 39 6.173 0.129 -0.927 309 HB ILE 39 HB ILE 39 6.976 -1.282 -3.451 310 1HG1 ILE 39 HG11 ILE 39 4.908 0.874 -3.022 311 2HG1 ILE 39 HG12 ILE 39 6.151 0.789 -4.265 312 1HG2 ILE 39 HG21 ILE 39 4.680 -2.272 -3.111 313 2HG2 ILE 39 HG22 ILE 39 4.663 -1.478 -1.535 314 3HG2 ILE 39 HG23 ILE 39 5.883 -2.700 -1.894 315 1HD1 ILE 39 HD11 ILE 39 3.501 -0.521 -4.137 316 2HD1 ILE 39 HD12 ILE 39 4.811 -1.368 -4.962 317 3HD1 ILE 39 HD13 ILE 39 4.329 0.243 -5.495 318 H ASP 40 HN ASP 40 6.512 -1.982 -0.037 319 HA ASP 40 HA ASP 40 9.346 -2.759 0.123 320 1HB ASP 40 HB2 ASP 40 7.206 -2.815 2.253 321 2HB ASP 40 HB1 ASP 40 8.828 -3.460 2.449 322 H GLU 41 HN GLU 41 9.775 -4.786 -0.485 323 HA GLU 41 HA GLU 41 7.561 -6.649 -0.905 324 1HB GLU 41 HB1 GLU 41 10.463 -7.160 -1.553 325 2HB GLU 41 HB2 GLU 41 9.042 -7.932 -2.242 326 1HG GLU 41 HG1 GLU 41 9.055 -6.476 -3.901 327 2HG GLU 41 HG2 GLU 41 8.837 -5.158 -2.751 328 H GLU 42 HN GLU 42 7.420 -6.583 1.558 329 HA GLU 42 HA GLU 42 9.430 -8.258 2.855 330 1HB GLU 42 HB1 GLU 42 7.624 -6.133 3.726 331 2HB GLU 42 HB2 GLU 42 7.667 -7.506 4.823 332 1HG GLU 42 HG1 GLU 42 9.342 -5.485 5.041 333 2HG GLU 42 HG2 GLU 42 9.817 -7.144 5.428 334 HA PRO 43 HA PRO 43 6.636 -11.644 2.947 335 1HB PRO 43 HB1 PRO 43 8.133 -13.219 4.654 336 2HB PRO 43 HB2 PRO 43 8.432 -13.020 2.926 337 1HG PRO 43 HG2 PRO 43 10.032 -12.105 5.136 338 2HG PRO 43 HG1 PRO 43 10.369 -11.965 3.403 339 1HD PRO 43 HD1 PRO 43 9.320 -9.952 5.267 340 2HD PRO 43 HD2 PRO 43 10.046 -9.733 3.666 341 H ILE 44 HN ILE 44 5.294 -12.935 4.255 342 HA ILE 44 HA ILE 44 4.847 -11.903 6.976 343 HB ILE 44 HB ILE 44 2.560 -12.777 5.257 344 1HG1 ILE 44 HG12 ILE 44 3.867 -11.084 3.972 345 2HG1 ILE 44 HG11 ILE 44 2.258 -10.523 4.413 346 1HG2 ILE 44 HG21 ILE 44 1.248 -11.498 6.737 347 2HG2 ILE 44 HG22 ILE 44 2.652 -10.635 7.366 348 3HG2 ILE 44 HG23 ILE 44 2.416 -12.339 7.757 349 1HD1 ILE 44 HD11 ILE 44 3.849 -9.675 6.509 350 2HD1 ILE 44 HD12 ILE 44 3.266 -8.689 5.168 351 3HD1 ILE 44 HD13 ILE 44 4.861 -9.440 5.082 352 H ALA 45 HN ALA 45 3.054 -14.336 5.150 353 HA ALA 45 HA ALA 45 3.097 -16.202 7.286 354 1HB ALA 45 HB1 ALA 45 2.442 -16.746 4.395 355 2HB ALA 45 HB2 ALA 45 1.312 -16.056 5.561 356 3HB ALA 45 HB3 ALA 45 1.939 -17.687 5.800 357 H PHE 46 HN PHE 46 3.552 -18.601 5.675 358 HA PHE 46 HA PHE 46 6.343 -18.896 6.171 359 1HB PHE 46 HB2 PHE 46 4.167 -20.650 5.115 360 2HB PHE 46 HB1 PHE 46 5.839 -21.134 4.848 361 HD1 PHE 46 HD1 PHE 46 7.145 -22.041 6.589 362 HD2 PHE 46 HD2 PHE 46 3.336 -20.349 7.442 363 HE1 PHE 46 HE1 PHE 46 7.237 -22.988 8.858 364 HE2 PHE 46 HE2 PHE 46 3.420 -21.293 9.714 365 HZ PHE 46 HZ PHE 46 5.373 -22.615 10.423 366 H GLY 47 HN GLY 47 4.440 -18.045 3.406 367 1HA GLY 47 HA1 GLY 47 6.882 -17.563 1.898 368 2HA GLY 47 HA2 GLY 47 5.777 -18.735 1.201 369 H LEU 48 HN LEU 48 3.956 -16.469 2.837 370 HA LEU 48 HA LEU 48 3.254 -15.173 0.322 371 1HB LEU 48 HB2 LEU 48 1.854 -14.760 2.945 372 2HB LEU 48 HB1 LEU 48 1.220 -14.545 1.327 373 HG LEU 48 HG LEU 48 1.643 -17.094 2.854 374 1HD1 LEU 48 HD11 LEU 48 -0.555 -16.924 3.081 375 2HD1 LEU 48 HD12 LEU 48 -0.725 -17.061 1.331 376 3HD1 LEU 48 HD13 LEU 48 -0.579 -15.471 2.083 377 1HD2 LEU 48 HD21 LEU 48 2.645 -17.738 0.855 378 2HD2 LEU 48 HD22 LEU 48 1.565 -16.742 -0.119 379 3HD2 LEU 48 HD23 LEU 48 0.958 -18.211 0.646 380 H VAL 49 HN VAL 49 4.480 -13.477 -0.165 381 HA VAL 49 HA VAL 49 5.441 -11.703 1.931 382 HB VAL 49 HB VAL 49 6.074 -11.920 -1.007 383 1HG1 VAL 49 HG21 VAL 49 7.889 -10.205 0.408 384 2HG1 VAL 49 HG22 VAL 49 6.246 -9.578 0.533 385 3HG1 VAL 49 HG23 VAL 49 6.955 -9.882 -1.052 386 1HG2 VAL 49 HG11 VAL 49 7.318 -13.564 -0.063 387 2HG2 VAL 49 HG12 VAL 49 7.349 -12.786 1.520 388 3HG2 VAL 49 HG13 VAL 49 8.413 -12.214 0.234 389 H ALA 50 HN ALA 50 4.635 -9.770 2.369 390 HA ALA 50 HA ALA 50 2.460 -8.711 0.750 391 1HB ALA 50 HB1 ALA 50 2.014 -7.255 2.636 392 2HB ALA 50 HB2 ALA 50 3.504 -7.783 3.422 393 3HB ALA 50 HB3 ALA 50 2.179 -8.923 3.186 394 H LEU 51 HN LEU 51 2.339 -6.384 0.362 395 HA LEU 51 HA LEU 51 4.980 -5.206 -0.226 396 1HB LEU 51 HB1 LEU 51 2.345 -5.050 -1.696 397 2HB LEU 51 HB2 LEU 51 3.624 -3.889 -1.971 398 HG LEU 51 HG LEU 51 3.321 -5.930 -3.565 399 1HD1 LEU 51 HD21 LEU 51 5.525 -4.310 -2.807 400 2HD1 LEU 51 HD22 LEU 51 5.151 -5.021 -4.379 401 3HD1 LEU 51 HD23 LEU 51 6.113 -5.925 -3.206 402 1HD2 LEU 51 HD11 LEU 51 5.085 -7.193 -1.486 403 2HD2 LEU 51 HD12 LEU 51 4.568 -7.886 -3.023 404 3HD2 LEU 51 HD13 LEU 51 3.389 -7.609 -1.742 405 H ASN 52 HN ASN 52 5.407 -3.593 1.153 406 HA ASN 52 HA ASN 52 3.214 -2.111 2.385 407 1HB ASN 52 HB1 ASN 52 6.134 -1.571 2.883 408 2HB ASN 52 HB2 ASN 52 4.767 -1.345 3.968 409 1HD2 ASN 52 HD22 ASN 52 3.595 -3.922 3.462 410 2HD2 ASN 52 HD21 ASN 52 4.599 -5.087 4.248 411 H VAL 53 HN VAL 53 2.450 -0.929 0.692 412 HA VAL 53 HA VAL 53 4.212 0.784 -0.826 413 HB VAL 53 HB VAL 53 1.207 0.747 -0.964 414 1HG1 VAL 53 HG21 VAL 53 3.331 2.038 -2.427 415 2HG1 VAL 53 HG22 VAL 53 1.589 2.295 -2.516 416 3HG1 VAL 53 HG23 VAL 53 2.345 1.037 -3.493 417 1HG2 VAL 53 HG11 VAL 53 2.789 -0.932 -2.820 418 2HG2 VAL 53 HG12 VAL 53 1.153 -1.155 -2.199 419 3HG2 VAL 53 HG13 VAL 53 2.542 -1.537 -1.182 420 H MET 54 HN MET 54 4.939 2.469 0.329 421 HA MET 54 HA MET 54 3.156 4.022 2.009 422 1HB MET 54 HB1 MET 54 6.063 4.471 1.290 423 2HB MET 54 HB2 MET 54 5.163 5.365 2.508 424 1HG MET 54 HG1 MET 54 5.224 3.662 4.009 425 2HG MET 54 HG2 MET 54 5.268 2.416 2.764 426 1HE MET 54 HE1 MET 54 7.931 2.532 5.489 427 2HE MET 54 HE2 MET 54 8.183 1.232 4.324 428 3HE MET 54 HE3 MET 54 6.546 1.667 4.819 429 H VAL 55 HN VAL 55 3.090 6.418 1.738 430 HA VAL 55 HA VAL 55 3.272 7.240 -1.069 431 HB VAL 55 HB VAL 55 1.091 8.147 -1.139 432 1HG1 VAL 55 HG11 VAL 55 1.116 5.391 0.050 433 2HG1 VAL 55 HG12 VAL 55 1.023 5.848 -1.652 434 3HG1 VAL 55 HG13 VAL 55 -0.349 6.143 -0.582 435 1HG2 VAL 55 HG21 VAL 55 0.664 7.351 1.732 436 2HG2 VAL 55 HG22 VAL 55 -0.448 8.240 0.691 437 3HG2 VAL 55 HG23 VAL 55 1.066 8.985 1.206 438 H VAL 56 HN VAL 56 4.173 9.182 -1.325 439 HA VAL 56 HA VAL 56 4.621 10.803 1.079 440 HB VAL 56 HB VAL 56 6.694 10.432 0.103 441 1HG1 VAL 56 HG21 VAL 56 5.178 10.172 -2.308 442 2HG1 VAL 56 HG22 VAL 56 6.812 9.611 -1.948 443 3HG1 VAL 56 HG23 VAL 56 6.556 11.239 -2.580 444 1HG2 VAL 56 HG11 VAL 56 6.536 12.854 -1.452 445 2HG2 VAL 56 HG12 VAL 56 7.360 12.551 0.077 446 3HG2 VAL 56 HG13 VAL 56 5.660 13.019 0.069 447 H VAL 57 HN VAL 57 3.171 12.346 1.407 448 HA VAL 57 HA VAL 57 2.266 13.923 -0.909 449 HB VAL 57 HB VAL 57 0.059 13.952 -0.246 450 1HG1 VAL 57 HG21 VAL 57 -0.639 11.744 -0.129 451 2HG1 VAL 57 HG22 VAL 57 0.703 11.269 0.913 452 3HG1 VAL 57 HG23 VAL 57 0.989 11.603 -0.794 453 1HG2 VAL 57 HG11 VAL 57 1.154 13.588 2.476 454 2HG2 VAL 57 HG12 VAL 57 -0.455 12.931 2.173 455 3HG2 VAL 57 HG13 VAL 57 -0.137 14.644 1.900 456 H GLY 58 HN GLY 58 1.285 16.076 -0.156 457 1HA GLY 58 HA2 GLY 58 2.078 17.166 2.342 458 2HA GLY 58 HA1 GLY 58 3.236 17.606 1.097 459 H ASP 59 HN ASP 59 2.204 18.527 -0.944 460 HA ASP 59 HA ASP 59 0.498 20.710 -0.138 461 1HB ASP 59 HB2 ASP 59 2.471 20.851 -1.770 462 2HB ASP 59 HB1 ASP 59 1.400 20.104 -2.952 463 H ALA 60 HN ALA 60 -0.129 17.619 -0.896 464 HA ALA 60 HA ALA 60 -2.239 17.800 -2.776 465 1HB ALA 60 HB1 ALA 60 -0.960 15.728 -2.169 466 2HB ALA 60 HB2 ALA 60 -2.712 15.535 -2.237 467 3HB ALA 60 HB3 ALA 60 -1.899 15.670 -0.678 468 H GLU 61 HN GLU 61 -4.216 16.252 -1.334 469 HA GLU 61 HA GLU 61 -5.190 18.033 0.751 470 1HB GLU 61 HB1 GLU 61 -7.481 17.714 -0.709 471 2HB GLU 61 HB2 GLU 61 -6.482 19.161 -0.708 472 1HG GLU 61 HG1 GLU 61 -5.235 18.183 -2.650 473 2HG GLU 61 HG2 GLU 61 -6.455 16.912 -2.704 474 H GLY 62 HN GLY 62 -7.827 17.032 0.790 475 1HA GLY 62 HA1 GLY 62 -7.345 14.470 2.044 476 2HA GLY 62 HA2 GLY 62 -8.873 15.341 1.994 477 H GLY 63 HN GLY 63 -7.367 15.097 -1.022 478 1HA GLY 63 HA2 GLY 63 -9.467 13.511 -2.103 479 2HA GLY 63 HA1 GLY 63 -8.019 14.027 -2.952 480 H THR 64 HN THR 64 -6.712 12.620 -0.401 481 HA THR 64 HA THR 64 -6.112 10.199 -1.815 482 HB THR 64 HB THR 64 -4.491 9.805 -0.221 483 HG1 THR 64 HG1 THR 64 -5.657 9.596 1.619 484 1HG2 THR 64 HG21 THR 64 -3.424 11.691 -0.656 485 2HG2 THR 64 HG22 THR 64 -4.110 12.318 0.843 486 3HG2 THR 64 HG23 THR 64 -4.921 12.622 -0.694 487 H GLU 65 HN GLU 65 -8.718 11.139 -0.077 488 HA GLU 65 HA GLU 65 -9.361 9.007 1.612 489 1HB GLU 65 HB2 GLU 65 -11.724 9.672 1.163 490 2HB GLU 65 HB1 GLU 65 -10.687 11.016 1.613 491 1HG GLU 65 HG2 GLU 65 -10.461 11.564 -0.799 492 2HG GLU 65 HG1 GLU 65 -11.652 10.311 -1.144 493 H ALA 66 HN ALA 66 -9.238 9.288 -1.789 494 HA ALA 66 HA ALA 66 -10.990 7.331 -2.666 495 1HB ALA 66 HB1 ALA 66 -8.881 7.077 -4.403 496 2HB ALA 66 HB2 ALA 66 -8.646 8.696 -3.743 497 3HB ALA 66 HB3 ALA 66 -10.172 8.275 -4.522 498 H ALA 67 HN ALA 67 -7.901 7.000 -1.101 499 HA ALA 67 HA ALA 67 -7.276 4.364 -1.809 500 1HB ALA 67 HB1 ALA 67 -6.517 4.939 0.910 501 2HB ALA 67 HB2 ALA 67 -6.190 6.319 -0.141 502 3HB ALA 67 HB3 ALA 67 -5.505 4.738 -0.520 503 H GLU 68 HN GLU 68 -8.883 5.563 1.140 504 HA GLU 68 HA GLU 68 -9.584 3.064 2.180 505 1HB GLU 68 HB1 GLU 68 -10.957 5.741 2.486 506 2HB GLU 68 HB2 GLU 68 -11.316 4.324 3.463 507 1HG GLU 68 HG2 GLU 68 -8.820 4.352 4.056 508 2HG GLU 68 HG1 GLU 68 -8.833 5.995 3.417 509 H GLU 69 HN GLU 69 -11.123 5.087 -0.234 510 HA GLU 69 HA GLU 69 -13.621 3.775 -0.329 511 1HB GLU 69 HB1 GLU 69 -12.498 5.963 -1.577 512 2HB GLU 69 HB2 GLU 69 -12.646 4.806 -2.891 513 1HG GLU 69 HG2 GLU 69 -14.938 4.772 -2.791 514 2HG GLU 69 HG1 GLU 69 -14.978 5.269 -1.099 515 H SER 70 HN SER 70 -10.672 3.401 -2.269 516 HA SER 70 HA SER 70 -11.599 1.235 -3.825 517 1HB SER 70 HB1 SER 70 -9.401 2.830 -3.923 518 2HB SER 70 HB2 SER 70 -8.700 1.356 -3.253 519 HG SER 70 HG SER 70 -9.734 0.248 -5.048 520 H LEU 71 HN LEU 71 -10.595 1.491 -0.590 521 HA LEU 71 HA LEU 71 -9.636 -1.172 -0.222 522 1HB LEU 71 HB1 LEU 71 -9.935 1.205 1.341 523 2HB LEU 71 HB2 LEU 71 -10.659 -0.133 2.209 524 HG LEU 71 HG LEU 71 -8.368 0.130 2.909 525 1HD1 LEU 71 HD11 LEU 71 -7.452 -2.131 2.098 526 2HD1 LEU 71 HD12 LEU 71 -8.988 -2.278 1.243 527 3HD1 LEU 71 HD13 LEU 71 -8.969 -2.113 2.999 528 1HD2 LEU 71 HD21 LEU 71 -7.219 1.219 1.238 529 2HD2 LEU 71 HD22 LEU 71 -7.833 0.152 -0.026 530 3HD2 LEU 71 HD23 LEU 71 -6.591 -0.423 1.088 531 H SER 72 HN SER 72 -12.739 0.396 -0.120 532 HA SER 72 HA SER 72 -14.185 -1.587 1.272 533 1HB SER 72 HB1 SER 72 -14.733 0.910 0.173 534 2HB SER 72 HB2 SER 72 -15.738 -0.197 -0.765 535 HG SER 72 HG SER 72 -16.953 0.279 0.976 536 H GLY 73 HN GLY 73 -12.718 -1.658 -1.749 537 1HA GLY 73 HA2 GLY 73 -14.028 -4.181 -2.385 538 2HA GLY 73 HA1 GLY 73 -14.185 -2.905 -3.582 539 H ILE 74 HN ILE 74 -11.356 -3.137 -1.634 540 HA ILE 74 HA ILE 74 -9.648 -3.337 -3.907 541 HB ILE 74 HB ILE 74 -9.267 -2.182 -1.601 542 1HG1 ILE 74 HG12 ILE 74 -6.733 -3.456 -2.254 543 2HG1 ILE 74 HG11 ILE 74 -7.603 -2.930 -3.692 544 1HG2 ILE 74 HG21 ILE 74 -8.324 -3.367 0.125 545 2HG2 ILE 74 HG22 ILE 74 -7.820 -4.696 -0.918 546 3HG2 ILE 74 HG23 ILE 74 -9.518 -4.513 -0.484 547 1HD1 ILE 74 HD11 ILE 74 -5.988 -1.381 -2.080 548 2HD1 ILE 74 HD12 ILE 74 -7.626 -0.911 -1.623 549 3HD1 ILE 74 HD13 ILE 74 -7.113 -0.803 -3.308 550 H GLU 75 HN GLU 75 -7.583 -4.997 -3.023 551 HA GLU 75 HA GLU 75 -8.227 -7.472 -4.065 552 1HB GLU 75 HB2 GLU 75 -6.019 -6.349 -2.461 553 2HB GLU 75 HB1 GLU 75 -6.193 -8.096 -2.355 554 1HG GLU 75 HG2 GLU 75 -4.620 -7.500 -4.086 555 2HG GLU 75 HG1 GLU 75 -6.051 -8.257 -4.787 556 H GLY 76 HN GLY 76 -10.054 -8.447 -3.284 557 1HA GLY 76 HA1 GLY 76 -10.771 -8.681 -0.575 558 2HA GLY 76 HA2 GLY 76 -11.357 -9.707 -1.876 559 H VAL 77 HN VAL 77 -8.482 -10.417 -2.482 560 HA VAL 77 HA VAL 77 -8.329 -12.634 -0.605 561 HB VAL 77 HB VAL 77 -8.060 -12.852 -3.138 562 1HG1 VAL 77 HG11 VAL 77 -6.524 -11.052 -3.553 563 2HG1 VAL 77 HG12 VAL 77 -5.757 -12.583 -3.980 564 3HG1 VAL 77 HG13 VAL 77 -5.332 -11.774 -2.471 565 1HG2 VAL 77 HG21 VAL 77 -6.228 -14.581 -2.844 566 2HG2 VAL 77 HG22 VAL 77 -7.623 -14.734 -1.775 567 3HG2 VAL 77 HG23 VAL 77 -6.119 -14.038 -1.168 568 H SER 78 HN SER 78 -6.430 -9.878 -1.670 569 HA SER 78 HA SER 78 -4.394 -10.421 0.340 570 1HB SER 78 HB1 SER 78 -3.397 -9.779 -1.715 571 2HB SER 78 HB2 SER 78 -4.575 -8.491 -1.971 572 HG SER 78 HG SER 78 -3.614 -7.327 -0.312 573 H ASN 79 HN ASN 79 -5.388 -9.925 2.276 574 HA ASN 79 HA ASN 79 -6.730 -7.382 2.619 575 1HB ASN 79 HB2 ASN 79 -7.118 -9.614 3.979 576 2HB ASN 79 HB1 ASN 79 -5.803 -8.983 4.967 577 1HD2 ASN 79 HD21 ASN 79 -6.336 -6.239 4.928 578 2HD2 ASN 79 HD22 ASN 79 -7.848 -5.957 5.712 579 H ILE 80 HN ILE 80 -5.846 -5.567 3.259 580 HA ILE 80 HA ILE 80 -2.959 -5.561 3.569 581 HB ILE 80 HB ILE 80 -4.814 -3.225 3.186 582 1HG1 ILE 80 HG11 ILE 80 -3.648 -3.577 0.763 583 2HG1 ILE 80 HG12 ILE 80 -3.819 -5.251 1.283 584 1HG2 ILE 80 HG21 ILE 80 -2.064 -3.420 3.725 585 2HG2 ILE 80 HG22 ILE 80 -2.999 -1.981 3.326 586 3HG2 ILE 80 HG23 ILE 80 -2.229 -2.912 2.045 587 1HD1 ILE 80 HD11 ILE 80 -5.799 -4.967 0.218 588 2HD1 ILE 80 HD12 ILE 80 -5.896 -3.251 0.614 589 3HD1 ILE 80 HD13 ILE 80 -6.267 -4.461 1.842 590 H GLU 81 HN GLU 81 -1.889 -4.390 5.141 591 HA GLU 81 HA GLU 81 -3.311 -4.037 7.658 592 1HB GLU 81 HB2 GLU 81 -0.959 -5.111 7.428 593 2HB GLU 81 HB1 GLU 81 -0.389 -3.466 7.180 594 1HG GLU 81 HG2 GLU 81 -0.728 -2.871 9.341 595 2HG GLU 81 HG1 GLU 81 -2.097 -3.965 9.544 596 H VAL 82 HN VAL 82 -4.560 -2.420 6.461 597 HA VAL 82 HA VAL 82 -3.276 -0.003 5.616 598 HB VAL 82 HB VAL 82 -6.217 -0.656 5.920 599 1HG1 VAL 82 HG21 VAL 82 -4.760 1.750 5.114 600 2HG1 VAL 82 HG22 VAL 82 -6.458 1.554 5.559 601 3HG1 VAL 82 HG23 VAL 82 -5.934 1.212 3.909 602 1HG2 VAL 82 HG11 VAL 82 -5.917 -0.773 3.327 603 2HG2 VAL 82 HG12 VAL 82 -5.545 -2.169 4.342 604 3HG2 VAL 82 HG13 VAL 82 -4.242 -1.138 3.744 605 H THR 83 HN THR 83 -2.434 -0.133 8.046 606 HA THR 83 HA THR 83 -4.020 1.851 9.507 607 HB THR 83 HB THR 83 -2.511 -0.268 11.002 608 HG1 THR 83 HG1 THR 83 -5.146 -0.453 9.983 609 1HG2 THR 83 HG21 THR 83 -3.888 0.239 12.810 610 2HG2 THR 83 HG22 THR 83 -5.050 1.098 11.798 611 3HG2 THR 83 HG23 THR 83 -3.465 1.803 12.113 612 H ASP 84 HN ASP 84 -1.163 1.237 7.974 613 HA ASP 84 HA ASP 84 0.554 2.459 9.982 614 1HB ASP 84 HB1 ASP 84 1.289 0.548 8.495 615 2HB ASP 84 HB2 ASP 84 1.281 1.692 7.159 616 H VAL 85 HN VAL 85 1.140 4.539 10.014 617 HA VAL 85 HA VAL 85 0.835 6.201 7.657 618 HB VAL 85 HB VAL 85 -1.376 6.122 9.012 619 1HG1 VAL 85 HG11 VAL 85 -1.479 7.846 10.789 620 2HG1 VAL 85 HG12 VAL 85 0.279 7.969 10.724 621 3HG1 VAL 85 HG13 VAL 85 -0.481 6.457 11.219 622 1HG2 VAL 85 HG21 VAL 85 -0.452 7.813 7.212 623 2HG2 VAL 85 HG22 VAL 85 -0.459 8.918 8.587 624 3HG2 VAL 85 HG23 VAL 85 -1.954 8.128 8.081 625 H ARG 86 HN ARG 86 1.713 8.375 7.963 626 HA ARG 86 HA ARG 86 3.433 8.768 10.282 627 1HB ARG 86 HB1 ARG 86 4.636 9.071 7.540 628 2HB ARG 86 HB2 ARG 86 5.455 8.981 9.092 629 1HG ARG 86 HG1 ARG 86 3.929 6.580 8.418 630 2HG ARG 86 HG2 ARG 86 5.241 6.947 7.298 631 1HD ARG 86 HD2 ARG 86 6.756 7.171 9.269 632 2HD ARG 86 HD1 ARG 86 5.437 6.583 10.281 633 HE ARG 86 HE ARG 86 5.539 4.561 8.705 634 1HH1 ARG 86 HH12 ARG 86 8.286 6.479 9.661 635 2HH1 ARG 86 HH11 ARG 86 9.417 5.177 9.493 636 1HH2 ARG 86 HH21 ARG 86 7.021 2.841 8.480 637 2HH2 ARG 86 HH22 ARG 86 8.698 3.110 8.820 638 H ARG 87 HN ARG 87 1.711 10.418 10.528 639 HA ARG 87 HA ARG 87 1.527 12.540 8.647 640 1HB ARG 87 HB2 ARG 87 0.493 12.095 11.421 641 2HB ARG 87 HB1 ARG 87 0.356 13.679 10.670 642 1HG ARG 87 HG2 ARG 87 -1.600 12.875 9.922 643 2HG ARG 87 HG1 ARG 87 -0.584 12.115 8.692 644 1HD ARG 87 HD1 ARG 87 -1.058 10.084 9.424 645 2HD ARG 87 HD2 ARG 87 -0.671 10.524 11.085 646 HE ARG 87 HE ARG 87 -2.912 10.862 11.497 647 1HH1 ARG 87 HH11 ARG 87 -2.386 10.490 8.072 648 2HH1 ARG 87 HH12 ARG 87 -4.073 10.364 7.697 649 1HH2 ARG 87 HH21 ARG 87 -5.133 10.698 11.012 650 2HH2 ARG 87 HH22 ARG 87 -5.634 10.483 9.368 651 H LEU 88 HN LEU 88 3.874 12.966 8.499 652 HA LEU 88 HA LEU 88 5.138 14.267 10.749 653 1HB LEU 88 HB1 LEU 88 5.981 13.689 7.927 654 2HB LEU 88 HB2 LEU 88 6.907 14.782 8.931 655 HG LEU 88 HG LEU 88 7.284 12.974 10.550 656 1HD1 LEU 88 HD21 LEU 88 5.703 11.343 8.565 657 2HD1 LEU 88 HD22 LEU 88 5.317 11.653 10.261 658 3HD1 LEU 88 HD23 LEU 88 6.707 10.650 9.843 659 1HD2 LEU 88 HD11 LEU 88 8.251 13.134 7.852 660 2HD2 LEU 88 HD12 LEU 88 8.304 11.466 8.428 661 3HD2 LEU 88 HD13 LEU 88 9.126 12.738 9.333 662 H MET 89 HN MET 89 3.632 16.001 11.055 663 HA MET 89 HA MET 89 3.446 17.984 8.921 664 1HB MET 89 HB2 MET 89 1.745 17.159 11.055 665 2HB MET 89 HB1 MET 89 2.139 18.855 11.300 666 1HG MET 89 HG1 MET 89 1.018 19.531 9.451 667 2HG MET 89 HG2 MET 89 1.344 18.038 8.571 668 1HE MET 89 HE1 MET 89 -1.320 15.792 8.978 669 2HE MET 89 HE2 MET 89 -0.348 15.545 10.428 670 3HE MET 89 HE3 MET 89 0.432 15.973 8.905 Start of MODEL 29 1 1H MET 1 HT1 MET 1 13.244 16.856 6.412 2 2H MET 1 HT2 MET 1 13.584 16.184 4.870 3 3H MET 1 HT3 MET 1 13.770 15.228 6.283 4 HA MET 1 HA MET 1 11.617 15.314 4.678 5 1HB MET 1 HB2 MET 1 10.643 13.898 6.402 6 2HB MET 1 HB1 MET 1 12.355 13.542 6.232 7 1HG MET 1 HG2 MET 1 11.521 15.514 8.287 8 2HG MET 1 HG1 MET 1 11.225 13.803 8.589 9 1HE MET 1 HE1 MET 1 12.920 13.711 10.778 10 2HE MET 1 HE2 MET 1 14.325 12.797 10.232 11 3HE MET 1 HE3 MET 1 12.715 12.365 9.657 12 H GLY 2 HN GLY 2 9.308 15.597 5.439 13 1HA GLY 2 HA1 GLY 2 8.499 17.411 7.381 14 2HA GLY 2 HA2 GLY 2 8.817 18.348 5.927 15 H ASP 3 HN ASP 3 7.985 15.442 4.797 16 HA ASP 3 HA ASP 3 5.222 16.281 4.319 17 1HB ASP 3 HB1 ASP 3 7.153 14.527 2.863 18 2HB ASP 3 HB2 ASP 3 5.428 14.229 2.661 19 H VAL 4 HN VAL 4 3.566 14.541 4.197 20 HA VAL 4 HA VAL 4 3.898 12.696 6.458 21 HB VAL 4 HB VAL 4 1.651 14.271 5.426 22 1HG1 VAL 4 HG11 VAL 4 1.351 11.367 5.752 23 2HG1 VAL 4 HG12 VAL 4 0.384 12.524 4.836 24 3HG1 VAL 4 HG13 VAL 4 0.149 12.359 6.578 25 1HG2 VAL 4 HG21 VAL 4 2.906 13.616 7.905 26 2HG2 VAL 4 HG22 VAL 4 1.177 13.286 8.019 27 3HG2 VAL 4 HG23 VAL 4 1.741 14.890 7.551 28 H VAL 5 HN VAL 5 4.268 10.615 5.970 29 HA VAL 5 HA VAL 5 3.467 9.662 3.302 30 HB VAL 5 HB VAL 5 5.738 8.843 5.100 31 1HG1 VAL 5 HG11 VAL 5 6.069 7.156 3.064 32 2HG1 VAL 5 HG12 VAL 5 4.307 7.216 3.077 33 3HG1 VAL 5 HG13 VAL 5 5.182 6.714 4.524 34 1HG2 VAL 5 HG21 VAL 5 5.747 10.693 3.236 35 2HG2 VAL 5 HG22 VAL 5 5.905 9.305 2.160 36 3HG2 VAL 5 HG23 VAL 5 7.110 9.588 3.415 37 H ALA 6 HN ALA 6 1.787 8.324 3.226 38 HA ALA 6 HA ALA 6 0.999 6.849 5.636 39 1HB ALA 6 HB1 ALA 6 -0.768 8.123 4.577 40 2HB ALA 6 HB2 ALA 6 -1.098 6.398 4.418 41 3HB ALA 6 HB3 ALA 6 -0.473 7.306 3.042 42 H THR 7 HN THR 7 0.827 4.579 5.644 43 HA THR 7 HA THR 7 2.090 3.275 3.328 44 HB THR 7 HB THR 7 2.368 2.374 6.187 45 HG1 THR 7 HG1 THR 7 3.334 4.513 5.526 46 1HG2 THR 7 HG21 THR 7 3.771 1.614 3.645 47 2HG2 THR 7 HG22 THR 7 2.862 0.578 4.751 48 3HG2 THR 7 HG23 THR 7 4.411 1.257 5.252 49 H ILE 8 HN ILE 8 1.197 1.590 2.462 50 HA ILE 8 HA ILE 8 -1.131 0.323 3.756 51 HB ILE 8 HB ILE 8 -0.741 0.620 0.781 52 1HG1 ILE 8 HG12 ILE 8 -0.846 2.844 2.070 53 2HG1 ILE 8 HG11 ILE 8 -1.991 2.617 0.753 54 1HG2 ILE 8 HG21 ILE 8 -3.408 0.529 1.274 55 2HG2 ILE 8 HG22 ILE 8 -2.761 -0.522 2.537 56 3HG2 ILE 8 HG23 ILE 8 -2.397 -0.852 0.842 57 1HD1 ILE 8 HD11 ILE 8 -3.111 1.700 3.238 58 2HD1 ILE 8 HD12 ILE 8 -3.709 2.920 2.112 59 3HD1 ILE 8 HD13 ILE 8 -2.554 3.368 3.368 60 H LYS 9 HN LYS 9 -0.378 -1.641 4.437 61 HA LYS 9 HA LYS 9 1.567 -3.085 2.796 62 1HB LYS 9 HB1 LYS 9 0.751 -4.341 5.297 63 2HB LYS 9 HB2 LYS 9 2.356 -3.977 4.688 64 1HG LYS 9 HG2 LYS 9 0.986 -1.563 5.465 65 2HG LYS 9 HG1 LYS 9 1.014 -2.728 6.784 66 1HD LYS 9 HD2 LYS 9 3.471 -2.054 5.212 67 2HD LYS 9 HD1 LYS 9 2.959 -1.101 6.605 68 1HE LYS 9 HE2 LYS 9 3.212 -4.069 6.840 69 2HE LYS 9 HE1 LYS 9 4.652 -3.055 6.924 70 1HZ LYS 9 HZ1 LYS 9 2.418 -2.228 8.585 71 2HZ LYS 9 HZ2 LYS 9 4.075 -2.248 8.928 72 3HZ LYS 9 HZ3 LYS 9 3.172 -3.674 9.038 73 H VAL 10 HN VAL 10 0.455 -4.075 1.178 74 HA VAL 10 HA VAL 10 -1.934 -5.616 1.835 75 HB VAL 10 HB VAL 10 -2.659 -5.210 -0.236 76 1HG1 VAL 10 HG21 VAL 10 -2.179 -3.099 -0.755 77 2HG1 VAL 10 HG22 VAL 10 -0.520 -3.506 -1.191 78 3HG1 VAL 10 HG23 VAL 10 -0.931 -3.169 0.491 79 1HG2 VAL 10 HG11 VAL 10 -1.293 -6.953 -1.216 80 2HG2 VAL 10 HG12 VAL 10 0.083 -5.854 -1.310 81 3HG2 VAL 10 HG13 VAL 10 -1.354 -5.555 -2.289 82 H MET 11 HN MET 11 -2.122 -7.816 1.688 83 HA MET 11 HA MET 11 0.078 -9.357 0.576 84 1HB MET 11 HB2 MET 11 0.748 -10.459 2.497 85 2HB MET 11 HB1 MET 11 0.444 -8.838 3.098 86 1HG MET 11 HG1 MET 11 -1.283 -9.470 4.383 87 2HG MET 11 HG2 MET 11 -1.840 -10.685 3.237 88 1HE MET 11 HE1 MET 11 0.368 -13.566 3.587 89 2HE MET 11 HE2 MET 11 -0.939 -12.704 2.770 90 3HE MET 11 HE3 MET 11 -1.276 -13.645 4.223 91 HA PRO 12 HA PRO 12 -3.522 -11.683 -0.759 92 1HB PRO 12 HB1 PRO 12 -1.478 -13.483 -1.902 93 2HB PRO 12 HB2 PRO 12 -2.765 -12.583 -2.712 94 1HG PRO 12 HG1 PRO 12 -0.213 -11.851 -2.973 95 2HG PRO 12 HG2 PRO 12 -1.505 -10.640 -2.850 96 1HD PRO 12 HD2 PRO 12 0.376 -11.620 -0.717 97 2HD PRO 12 HD1 PRO 12 -0.090 -9.951 -1.120 98 H GLU 13 HN GLU 13 -4.591 -13.128 0.402 99 HA GLU 13 HA GLU 13 -3.518 -14.571 2.535 100 1HB GLU 13 HB1 GLU 13 -6.095 -14.203 1.327 101 2HB GLU 13 HB2 GLU 13 -5.861 -15.905 1.704 102 1HG GLU 13 HG1 GLU 13 -5.301 -13.774 3.730 103 2HG GLU 13 HG2 GLU 13 -6.930 -14.399 3.475 104 H SER 14 HN SER 14 -3.942 -15.423 -0.825 105 HA SER 14 HA SER 14 -3.467 -18.231 -0.428 106 1HB SER 14 HB2 SER 14 -3.577 -16.493 -2.899 107 2HB SER 14 HB1 SER 14 -3.258 -18.226 -2.958 108 HG SER 14 HG SER 14 -5.468 -17.804 -3.238 109 HA PRO 15 HA PRO 15 0.959 -18.203 -0.346 110 1HB PRO 15 HB2 PRO 15 1.479 -20.586 -1.580 111 2HB PRO 15 HB1 PRO 15 0.944 -20.449 0.098 112 1HG PRO 15 HG2 PRO 15 -0.649 -21.077 -2.357 113 2HG PRO 15 HG1 PRO 15 -0.738 -21.812 -0.745 114 1HD PRO 15 HD2 PRO 15 -2.523 -19.972 -1.578 115 2HD PRO 15 HD1 PRO 15 -1.998 -20.075 0.114 116 H ASP 16 HN ASP 16 -0.882 -18.032 -3.145 117 HA ASP 16 HA ASP 16 1.406 -17.905 -4.962 118 1HB ASP 16 HB2 ASP 16 -0.948 -18.989 -5.458 119 2HB ASP 16 HB1 ASP 16 -1.405 -17.327 -5.821 120 H VAL 17 HN VAL 17 1.311 -16.000 -2.931 121 HA VAL 17 HA VAL 17 0.110 -13.581 -3.754 122 HB VAL 17 HB VAL 17 0.464 -13.201 -1.612 123 1HG1 VAL 17 HG11 VAL 17 0.958 -15.159 -0.690 124 2HG1 VAL 17 HG12 VAL 17 2.560 -14.446 -0.488 125 3HG1 VAL 17 HG13 VAL 17 2.237 -15.513 -1.855 126 1HG2 VAL 17 HG21 VAL 17 3.395 -12.825 -2.105 127 2HG2 VAL 17 HG22 VAL 17 2.353 -11.994 -0.947 128 3HG2 VAL 17 HG23 VAL 17 2.180 -11.681 -2.676 129 H ASP 18 HN ASP 18 0.650 -13.245 -5.861 130 HA ASP 18 HA ASP 18 3.375 -13.051 -6.776 131 1HB ASP 18 HB1 ASP 18 0.911 -11.988 -8.163 132 2HB ASP 18 HB2 ASP 18 2.451 -12.430 -8.892 133 H LEU 19 HN LEU 19 4.461 -11.489 -5.654 134 HA LEU 19 HA LEU 19 3.354 -9.027 -4.849 135 1HB LEU 19 HB2 LEU 19 5.371 -8.600 -3.894 136 2HB LEU 19 HB1 LEU 19 5.525 -10.331 -4.104 137 HG LEU 19 HG LEU 19 6.530 -9.168 -6.466 138 1HD1 LEU 19 HD11 LEU 19 7.491 -7.776 -3.976 139 2HD1 LEU 19 HD12 LEU 19 6.739 -7.039 -5.390 140 3HD1 LEU 19 HD13 LEU 19 8.345 -7.758 -5.519 141 1HD2 LEU 19 HD21 LEU 19 7.455 -11.168 -5.750 142 2HD2 LEU 19 HD22 LEU 19 7.684 -10.588 -4.100 143 3HD2 LEU 19 HD23 LEU 19 8.726 -9.998 -5.395 144 H GLU 20 HN GLU 20 5.300 -9.908 -7.687 145 HA GLU 20 HA GLU 20 5.533 -7.259 -8.658 146 1HB GLU 20 HB1 GLU 20 7.102 -8.804 -9.474 147 2HB GLU 20 HB2 GLU 20 5.865 -9.964 -9.932 148 1HG GLU 20 HG1 GLU 20 6.652 -9.047 -11.940 149 2HG GLU 20 HG2 GLU 20 5.100 -8.264 -11.642 150 H ALA 21 HN ALA 21 3.170 -9.802 -9.118 151 HA ALA 21 HA ALA 21 1.711 -8.435 -11.179 152 1HB ALA 21 HB1 ALA 21 0.260 -10.329 -9.446 153 2HB ALA 21 HB2 ALA 21 1.655 -10.979 -10.307 154 3HB ALA 21 HB3 ALA 21 0.335 -10.230 -11.205 155 H LEU 22 HN LEU 22 1.678 -8.603 -7.709 156 HA LEU 22 HA LEU 22 -0.706 -7.088 -7.284 157 1HB LEU 22 HB2 LEU 22 1.233 -8.455 -5.707 158 2HB LEU 22 HB1 LEU 22 1.132 -6.812 -5.113 159 HG LEU 22 HG LEU 22 -1.171 -8.750 -5.371 160 1HD1 LEU 22 HD11 LEU 22 0.352 -9.307 -3.558 161 2HD1 LEU 22 HD12 LEU 22 -1.178 -8.693 -2.928 162 3HD1 LEU 22 HD13 LEU 22 0.249 -7.656 -2.949 163 1HD2 LEU 22 HD21 LEU 22 -1.843 -6.416 -5.772 164 2HD2 LEU 22 HD22 LEU 22 -1.133 -5.965 -4.220 165 3HD2 LEU 22 HD23 LEU 22 -2.511 -7.065 -4.270 166 H LYS 23 HN LYS 23 2.576 -6.390 -8.005 167 HA LYS 23 HA LYS 23 2.876 -3.802 -7.016 168 1HB LYS 23 HB2 LYS 23 4.243 -5.540 -8.864 169 2HB LYS 23 HB1 LYS 23 4.180 -3.912 -9.523 170 1HG LYS 23 HG2 LYS 23 5.968 -3.473 -8.298 171 2HG LYS 23 HG1 LYS 23 4.917 -3.536 -6.881 172 1HD LYS 23 HD2 LYS 23 5.592 -5.653 -6.310 173 2HD LYS 23 HD1 LYS 23 6.035 -6.073 -7.966 174 1HE LYS 23 HE2 LYS 23 7.982 -5.789 -6.449 175 2HE LYS 23 HE1 LYS 23 8.008 -4.718 -7.849 176 1HZ LYS 23 HZ1 LYS 23 6.884 -3.812 -5.276 177 2HZ LYS 23 HZ2 LYS 23 7.488 -2.885 -6.556 178 3HZ LYS 23 HZ3 LYS 23 8.550 -3.746 -5.559 179 H LYS 24 HN LYS 24 1.539 -4.975 -10.072 180 HA LYS 24 HA LYS 24 1.016 -2.417 -11.173 181 1HB LYS 24 HB1 LYS 24 -0.738 -4.709 -11.894 182 2HB LYS 24 HB2 LYS 24 0.052 -3.531 -12.931 183 1HG LYS 24 HG1 LYS 24 2.232 -4.729 -12.268 184 2HG LYS 24 HG2 LYS 24 1.169 -6.032 -11.732 185 1HD LYS 24 HD1 LYS 24 0.446 -5.060 -14.365 186 2HD LYS 24 HD2 LYS 24 2.117 -5.625 -14.306 187 1HE LYS 24 HE1 LYS 24 1.475 -7.752 -14.225 188 2HE LYS 24 HE2 LYS 24 0.367 -7.428 -12.894 189 1HZ LYS 24 HZ1 LYS 24 -1.362 -7.466 -14.266 190 2HZ LYS 24 HZ2 LYS 24 -0.329 -8.095 -15.449 191 3HZ LYS 24 HZ3 LYS 24 -0.622 -6.430 -15.379 192 H GLU 25 HN GLU 25 -0.947 -4.707 -9.303 193 HA GLU 25 HA GLU 25 -3.348 -3.195 -9.414 194 1HB GLU 25 HB1 GLU 25 -2.494 -5.132 -7.255 195 2HB GLU 25 HB2 GLU 25 -4.138 -4.640 -7.638 196 1HG GLU 25 HG2 GLU 25 -3.995 -5.740 -9.792 197 2HG GLU 25 HG1 GLU 25 -2.318 -6.183 -9.474 198 H ILE 26 HN ILE 26 -0.509 -3.049 -7.466 199 HA ILE 26 HA ILE 26 -1.463 -1.640 -5.251 200 HB ILE 26 HB ILE 26 1.181 -2.075 -6.508 201 1HG1 ILE 26 HG12 ILE 26 0.663 -2.066 -3.573 202 2HG1 ILE 26 HG11 ILE 26 -0.129 -3.305 -4.542 203 1HG2 ILE 26 HG21 ILE 26 0.532 0.340 -4.913 204 2HG2 ILE 26 HG22 ILE 26 1.712 0.116 -6.206 205 3HG2 ILE 26 HG23 ILE 26 2.055 -0.484 -4.581 206 1HD1 ILE 26 HD11 ILE 26 2.296 -3.592 -3.451 207 2HD1 ILE 26 HD12 ILE 26 2.749 -2.942 -5.027 208 3HD1 ILE 26 HD13 ILE 26 1.784 -4.415 -4.924 209 H GLN 27 HN GLN 27 -0.076 -0.437 -8.300 210 HA GLN 27 HA GLN 27 -0.225 2.296 -7.583 211 1HB GLN 27 HB1 GLN 27 -0.234 1.179 -10.384 212 2HB GLN 27 HB2 GLN 27 0.303 2.773 -9.871 213 1HG GLN 27 HG2 GLN 27 1.607 0.154 -9.153 214 2HG GLN 27 HG1 GLN 27 2.178 1.306 -10.354 215 1HE2 GLN 27 HE21 GLN 27 3.827 2.439 -9.691 216 2HE2 GLN 27 HE22 GLN 27 4.111 2.989 -8.078 217 H GLU 28 HN GLU 28 -2.509 0.084 -9.045 218 HA GLU 28 HA GLU 28 -4.321 2.170 -9.865 219 1HB GLU 28 HB2 GLU 28 -5.755 0.455 -10.617 220 2HB GLU 28 HB1 GLU 28 -4.125 -0.119 -10.939 221 1HG GLU 28 HG1 GLU 28 -4.190 -1.589 -9.069 222 2HG GLU 28 HG2 GLU 28 -5.719 -0.905 -8.519 223 H ARG 29 HN ARG 29 -3.660 0.440 -6.983 224 HA ARG 29 HA ARG 29 -6.256 1.025 -5.814 225 1HB ARG 29 HB2 ARG 29 -5.746 -0.478 -4.154 226 2HB ARG 29 HB1 ARG 29 -4.789 -1.122 -5.477 227 1HG ARG 29 HG1 ARG 29 -2.870 -0.758 -4.419 228 2HG ARG 29 HG2 ARG 29 -3.359 0.843 -3.869 229 1HD ARG 29 HD1 ARG 29 -4.913 -1.083 -2.478 230 2HD ARG 29 HD2 ARG 29 -3.225 -1.577 -2.383 231 HE ARG 29 HE ARG 29 -2.778 0.296 -1.099 232 1HH1 ARG 29 HH12 ARG 29 -6.011 0.462 -2.388 233 2HH1 ARG 29 HH11 ARG 29 -6.485 1.787 -1.379 234 1HH2 ARG 29 HH22 ARG 29 -3.397 2.044 0.230 235 2HH2 ARG 29 HH21 ARG 29 -5.000 2.685 0.107 236 H ILE 30 HN ILE 30 -3.282 2.549 -6.177 237 HA ILE 30 HA ILE 30 -2.917 3.881 -3.741 238 HB ILE 30 HB ILE 30 -2.250 4.746 -6.550 239 1HG1 ILE 30 HG11 ILE 30 -1.117 2.715 -5.641 240 2HG1 ILE 30 HG12 ILE 30 -0.008 4.029 -6.017 241 1HG2 ILE 30 HG21 ILE 30 -0.676 6.024 -4.488 242 2HG2 ILE 30 HG22 ILE 30 -2.391 6.418 -4.332 243 3HG2 ILE 30 HG23 ILE 30 -1.546 6.736 -5.848 244 1HD1 ILE 30 HD11 ILE 30 -0.973 4.008 -3.253 245 2HD1 ILE 30 HD12 ILE 30 0.654 4.236 -3.894 246 3HD1 ILE 30 HD13 ILE 30 -0.003 2.609 -3.715 247 HA PRO 31 HA PRO 31 -6.381 6.635 -3.343 248 1HB PRO 31 HB2 PRO 31 -4.963 8.748 -2.206 249 2HB PRO 31 HB1 PRO 31 -5.686 7.404 -1.325 250 1HG PRO 31 HG2 PRO 31 -2.864 7.783 -2.224 251 2HG PRO 31 HG1 PRO 31 -3.478 7.099 -0.706 252 1HD PRO 31 HD1 PRO 31 -2.556 5.509 -2.629 253 2HD PRO 31 HD2 PRO 31 -4.001 5.058 -1.698 254 H GLU 32 HN GLU 32 -7.190 7.617 -5.069 255 HA GLU 32 HA GLU 32 -5.730 8.818 -7.128 256 1HB GLU 32 HB1 GLU 32 -8.565 8.567 -6.374 257 2HB GLU 32 HB2 GLU 32 -8.195 9.963 -7.377 258 1HG GLU 32 HG2 GLU 32 -7.216 8.530 -9.064 259 2HG GLU 32 HG1 GLU 32 -7.487 7.115 -8.046 260 H GLY 33 HN GLY 33 -5.964 10.002 -4.082 261 1HA GLY 33 HA1 GLY 33 -6.473 12.772 -4.708 262 2HA GLY 33 HA2 GLY 33 -6.002 12.122 -3.145 263 H THR 34 HN THR 34 -3.599 10.870 -3.820 264 HA THR 34 HA THR 34 -1.961 13.100 -4.823 265 HB THR 34 HB THR 34 -0.793 11.470 -2.655 266 HG1 THR 34 HG1 THR 34 -2.019 13.103 -1.227 267 1HG2 THR 34 HG21 THR 34 -0.307 13.851 -1.809 268 2HG2 THR 34 HG22 THR 34 -0.811 14.353 -3.424 269 3HG2 THR 34 HG23 THR 34 0.554 13.253 -3.230 270 H GLU 35 HN GLU 35 0.386 11.303 -3.891 271 HA GLU 35 HA GLU 35 0.258 9.322 -6.061 272 1HB GLU 35 HB1 GLU 35 2.629 11.113 -5.502 273 2HB GLU 35 HB2 GLU 35 2.509 9.902 -6.770 274 1HG GLU 35 HG1 GLU 35 1.682 11.416 -8.145 275 2HG GLU 35 HG2 GLU 35 0.317 11.669 -7.058 276 H LEU 36 HN LEU 36 2.126 7.762 -5.933 277 HA LEU 36 HA LEU 36 2.162 6.628 -3.308 278 1HB LEU 36 HB1 LEU 36 3.799 4.991 -4.507 279 2HB LEU 36 HB2 LEU 36 2.095 4.986 -4.914 280 HG LEU 36 HG LEU 36 3.304 6.831 -6.668 281 1HD1 LEU 36 HD11 LEU 36 5.180 4.834 -5.840 282 2HD1 LEU 36 HD12 LEU 36 5.388 6.152 -6.993 283 3HD1 LEU 36 HD13 LEU 36 4.763 4.596 -7.537 284 1HD2 LEU 36 HD21 LEU 36 2.889 4.366 -7.985 285 2HD2 LEU 36 HD22 LEU 36 1.827 5.774 -7.936 286 3HD2 LEU 36 HD23 LEU 36 1.661 4.503 -6.726 287 H HIS 37 HN HIS 37 4.486 5.583 -2.736 288 HA HIS 37 HA HIS 37 6.484 7.740 -2.757 289 1HB HIS 37 HB1 HIS 37 5.268 7.751 -0.603 290 2HB HIS 37 HB2 HIS 37 5.715 6.072 -0.356 291 HD2 HIS 37 HD2 HIS 37 8.296 5.601 0.476 292 HE1 HIS 37 HE1 HIS 37 9.323 9.688 0.877 293 HE2 HIS 37 HE2 HIS 37 10.046 7.305 1.356 294 H LYS 38 HN LYS 38 6.399 4.615 -1.136 295 HA LYS 38 HA LYS 38 8.154 3.325 -3.017 296 1HB LYS 38 HB1 LYS 38 9.163 4.425 -0.417 297 2HB LYS 38 HB2 LYS 38 9.824 2.915 -1.022 298 1HG LYS 38 HG1 LYS 38 9.835 5.547 -2.479 299 2HG LYS 38 HG2 LYS 38 11.207 4.820 -1.641 300 1HD LYS 38 HD2 LYS 38 10.907 2.824 -3.179 301 2HD LYS 38 HD1 LYS 38 9.810 3.838 -4.118 302 1HE LYS 38 HE1 LYS 38 12.581 4.757 -3.439 303 2HE LYS 38 HE2 LYS 38 12.280 3.715 -4.829 304 1HZ LYS 38 HZ1 LYS 38 10.673 5.397 -5.621 305 2HZ LYS 38 HZ2 LYS 38 12.260 5.977 -5.544 306 3HZ LYS 38 HZ3 LYS 38 11.142 6.413 -4.353 307 H ILE 39 HN ILE 39 7.869 1.163 -2.911 308 HA ILE 39 HA ILE 39 6.102 0.158 -0.829 309 HB ILE 39 HB ILE 39 7.055 -1.407 -3.204 310 1HG1 ILE 39 HG11 ILE 39 4.935 0.729 -3.033 311 2HG1 ILE 39 HG12 ILE 39 6.226 0.563 -4.217 312 1HG2 ILE 39 HG21 ILE 39 5.914 -2.702 -1.542 313 2HG2 ILE 39 HG22 ILE 39 4.819 -2.475 -2.905 314 3HG2 ILE 39 HG23 ILE 39 4.613 -1.514 -1.439 315 1HD1 ILE 39 HD11 ILE 39 3.552 -0.616 -4.158 316 2HD1 ILE 39 HD12 ILE 39 4.841 -1.718 -4.642 317 3HD1 ILE 39 HD13 ILE 39 4.593 -0.212 -5.525 318 H ASP 40 HN ASP 40 6.464 -1.905 0.191 319 HA ASP 40 HA ASP 40 9.313 -2.555 0.550 320 1HB ASP 40 HB2 ASP 40 7.062 -2.433 2.552 321 2HB ASP 40 HB1 ASP 40 8.600 -3.208 2.893 322 H GLU 41 HN GLU 41 9.805 -4.573 -0.039 323 HA GLU 41 HA GLU 41 7.684 -6.529 -0.465 324 1HB GLU 41 HB1 GLU 41 10.604 -7.102 -0.868 325 2HB GLU 41 HB2 GLU 41 9.218 -7.747 -1.736 326 1HG GLU 41 HG1 GLU 41 9.261 -6.114 -3.248 327 2HG GLU 41 HG2 GLU 41 9.507 -4.866 -2.027 328 H GLU 42 HN GLU 42 7.352 -6.411 1.966 329 HA GLU 42 HA GLU 42 9.299 -8.006 3.448 330 1HB GLU 42 HB1 GLU 42 7.353 -5.926 4.137 331 2HB GLU 42 HB2 GLU 42 7.422 -7.259 5.283 332 1HG GLU 42 HG1 GLU 42 8.984 -5.140 5.485 333 2HG GLU 42 HG2 GLU 42 9.519 -6.757 5.965 334 HA PRO 43 HA PRO 43 6.543 -11.430 3.469 335 1HB PRO 43 HB1 PRO 43 7.979 -13.023 5.131 336 2HB PRO 43 HB2 PRO 43 8.475 -12.645 3.479 337 1HG PRO 43 HG2 PRO 43 9.636 -11.760 6.016 338 2HG PRO 43 HG1 PRO 43 10.322 -11.680 4.387 339 1HD PRO 43 HD1 PRO 43 9.019 -9.582 5.920 340 2HD PRO 43 HD2 PRO 43 9.883 -9.458 4.379 341 H ILE 44 HN ILE 44 5.178 -12.740 4.733 342 HA ILE 44 HA ILE 44 4.640 -11.744 7.452 343 HB ILE 44 HB ILE 44 2.402 -12.661 5.700 344 1HG1 ILE 44 HG12 ILE 44 3.704 -10.962 4.404 345 2HG1 ILE 44 HG11 ILE 44 2.073 -10.433 4.807 346 1HG2 ILE 44 HG21 ILE 44 1.628 -12.326 7.834 347 2HG2 ILE 44 HG22 ILE 44 1.328 -10.743 7.116 348 3HG2 ILE 44 HG23 ILE 44 2.738 -10.992 8.147 349 1HD1 ILE 44 HD11 ILE 44 3.506 -9.468 6.915 350 2HD1 ILE 44 HD12 ILE 44 3.085 -8.553 5.467 351 3HD1 ILE 44 HD13 ILE 44 4.664 -9.331 5.591 352 H ALA 45 HN ALA 45 2.988 -14.201 5.522 353 HA ALA 45 HA ALA 45 2.999 -16.099 7.634 354 1HB ALA 45 HB1 ALA 45 1.283 -15.938 5.815 355 2HB ALA 45 HB2 ALA 45 1.893 -17.565 6.116 356 3HB ALA 45 HB3 ALA 45 2.468 -16.652 4.722 357 H PHE 46 HN PHE 46 3.566 -18.427 5.876 358 HA PHE 46 HA PHE 46 6.331 -18.714 6.517 359 1HB PHE 46 HB2 PHE 46 4.200 -20.417 5.365 360 2HB PHE 46 HB1 PHE 46 5.847 -20.833 4.904 361 HD1 PHE 46 HD1 PHE 46 6.798 -22.486 6.159 362 HD2 PHE 46 HD2 PHE 46 4.080 -19.799 8.031 363 HE1 PHE 46 HE1 PHE 46 7.098 -23.676 8.292 364 HE2 PHE 46 HE2 PHE 46 4.375 -20.983 10.167 365 HZ PHE 46 HZ PHE 46 5.886 -22.924 10.300 366 H GLY 47 HN GLY 47 4.525 -17.870 3.657 367 1HA GLY 47 HA1 GLY 47 7.017 -17.131 2.333 368 2HA GLY 47 HA2 GLY 47 6.033 -18.335 1.515 369 H LEU 48 HN LEU 48 4.036 -16.275 3.208 370 HA LEU 48 HA LEU 48 3.228 -14.948 0.769 371 1HB LEU 48 HB2 LEU 48 2.046 -15.236 3.515 372 2HB LEU 48 HB1 LEU 48 1.386 -14.091 2.364 373 HG LEU 48 HG LEU 48 1.022 -15.987 0.780 374 1HD1 LEU 48 HD21 LEU 48 1.112 -18.032 2.836 375 2HD1 LEU 48 HD22 LEU 48 2.703 -17.380 2.445 376 3HD1 LEU 48 HD23 LEU 48 1.694 -18.068 1.172 377 1HD2 LEU 48 HD11 LEU 48 -0.318 -16.088 3.472 378 2HD2 LEU 48 HD12 LEU 48 -0.893 -16.959 2.049 379 3HD2 LEU 48 HD13 LEU 48 -0.840 -15.196 2.043 380 H VAL 49 HN VAL 49 4.565 -13.290 0.307 381 HA VAL 49 HA VAL 49 5.425 -11.460 2.377 382 HB VAL 49 HB VAL 49 6.114 -11.829 -0.517 383 1HG1 VAL 49 HG21 VAL 49 7.506 -9.898 -0.536 384 2HG1 VAL 49 HG22 VAL 49 7.165 -9.562 1.161 385 3HG1 VAL 49 HG23 VAL 49 5.893 -9.382 -0.047 386 1HG2 VAL 49 HG11 VAL 49 7.676 -13.096 0.424 387 2HG2 VAL 49 HG12 VAL 49 7.270 -12.512 2.038 388 3HG2 VAL 49 HG13 VAL 49 8.404 -11.610 1.034 389 H ALA 50 HN ALA 50 4.523 -9.586 2.833 390 HA ALA 50 HA ALA 50 2.433 -8.494 1.117 391 1HB ALA 50 HB1 ALA 50 1.885 -7.070 2.996 392 2HB ALA 50 HB2 ALA 50 3.330 -7.608 3.857 393 3HB ALA 50 HB3 ALA 50 2.019 -8.744 3.541 394 H LEU 51 HN LEU 51 2.504 -6.450 0.234 395 HA LEU 51 HA LEU 51 5.152 -5.185 0.218 396 1HB LEU 51 HB2 LEU 51 3.071 -4.432 -1.770 397 2HB LEU 51 HB1 LEU 51 4.813 -4.512 -1.947 398 HG LEU 51 HG LEU 51 2.855 -6.801 -2.020 399 1HD1 LEU 51 HD21 LEU 51 3.030 -6.668 -4.228 400 2HD1 LEU 51 HD22 LEU 51 4.791 -6.631 -4.145 401 3HD1 LEU 51 HD23 LEU 51 3.870 -5.134 -4.002 402 1HD2 LEU 51 HD11 LEU 51 5.627 -6.824 -1.216 403 2HD2 LEU 51 HD12 LEU 51 5.353 -7.809 -2.654 404 3HD2 LEU 51 HD13 LEU 51 4.425 -8.117 -1.183 405 H ASN 52 HN ASN 52 5.364 -3.460 1.417 406 HA ASN 52 HA ASN 52 3.021 -2.011 2.335 407 1HB ASN 52 HB1 ASN 52 5.843 -1.300 3.082 408 2HB ASN 52 HB2 ASN 52 4.375 -1.159 4.041 409 1HD2 ASN 52 HD22 ASN 52 3.472 -3.848 3.407 410 2HD2 ASN 52 HD21 ASN 52 4.470 -4.918 4.325 411 H VAL 53 HN VAL 53 2.354 -0.875 0.589 412 HA VAL 53 HA VAL 53 4.168 0.792 -0.903 413 HB VAL 53 HB VAL 53 1.166 0.810 -1.110 414 1HG1 VAL 53 HG21 VAL 53 1.441 1.846 -3.119 415 2HG1 VAL 53 HG22 VAL 53 2.993 1.071 -3.432 416 3HG1 VAL 53 HG23 VAL 53 2.897 2.429 -2.311 417 1HG2 VAL 53 HG11 VAL 53 1.124 -1.092 -2.385 418 2HG2 VAL 53 HG12 VAL 53 2.373 -1.512 -1.212 419 3HG2 VAL 53 HG13 VAL 53 2.827 -0.967 -2.827 420 H MET 54 HN MET 54 4.883 2.547 0.111 421 HA MET 54 HA MET 54 3.184 4.120 1.840 422 1HB MET 54 HB1 MET 54 6.054 4.356 0.938 423 2HB MET 54 HB2 MET 54 5.276 5.614 1.885 424 1HG MET 54 HG1 MET 54 5.041 4.224 3.753 425 2HG MET 54 HG2 MET 54 5.344 2.765 2.811 426 1HE MET 54 HE1 MET 54 7.271 1.584 3.917 427 2HE MET 54 HE2 MET 54 6.865 2.604 5.297 428 3HE MET 54 HE3 MET 54 8.548 2.417 4.803 429 H VAL 55 HN VAL 55 3.012 6.492 1.508 430 HA VAL 55 HA VAL 55 3.007 7.280 -1.311 431 HB VAL 55 HB VAL 55 0.772 7.994 -1.345 432 1HG1 VAL 55 HG11 VAL 55 0.791 5.394 0.174 433 2HG1 VAL 55 HG12 VAL 55 1.004 5.575 -1.569 434 3HG1 VAL 55 HG13 VAL 55 -0.534 6.004 -0.819 435 1HG2 VAL 55 HG21 VAL 55 0.736 9.042 0.878 436 2HG2 VAL 55 HG22 VAL 55 0.582 7.446 1.613 437 3HG2 VAL 55 HG23 VAL 55 -0.705 8.070 0.579 438 H VAL 56 HN VAL 56 3.373 9.442 -1.676 439 HA VAL 56 HA VAL 56 4.233 10.982 0.652 440 HB VAL 56 HB VAL 56 4.412 12.008 -2.159 441 1HG1 VAL 56 HG11 VAL 56 5.177 13.001 0.279 442 2HG1 VAL 56 HG12 VAL 56 5.806 13.521 -1.286 443 3HG1 VAL 56 HG13 VAL 56 6.674 12.308 -0.345 444 1HG2 VAL 56 HG21 VAL 56 6.849 10.783 -1.680 445 2HG2 VAL 56 HG22 VAL 56 5.606 10.243 -2.809 446 3HG2 VAL 56 HG23 VAL 56 5.657 9.585 -1.173 447 H VAL 57 HN VAL 57 2.506 11.879 1.645 448 HA VAL 57 HA VAL 57 0.790 13.627 0.015 449 HB VAL 57 HB VAL 57 -1.101 13.096 1.517 450 1HG1 VAL 57 HG21 VAL 57 -1.734 11.613 -0.016 451 2HG1 VAL 57 HG22 VAL 57 -0.614 10.408 0.622 452 3HG1 VAL 57 HG23 VAL 57 -0.067 11.568 -0.590 453 1HG2 VAL 57 HG11 VAL 57 0.412 12.289 3.383 454 2HG2 VAL 57 HG12 VAL 57 0.516 10.765 2.499 455 3HG2 VAL 57 HG13 VAL 57 -1.046 11.344 3.081 456 H GLY 58 HN GLY 58 0.258 15.589 0.872 457 1HA GLY 58 HA2 GLY 58 0.442 16.294 3.573 458 2HA GLY 58 HA1 GLY 58 1.958 16.729 2.801 459 H ASP 59 HN ASP 59 1.466 17.829 0.521 460 HA ASP 59 HA ASP 59 -0.037 20.212 1.160 461 1HB ASP 59 HB2 ASP 59 2.157 20.326 -0.003 462 2HB ASP 59 HB1 ASP 59 1.445 19.492 -1.381 463 H ALA 60 HN ALA 60 -0.761 17.253 -0.126 464 HA ALA 60 HA ALA 60 -2.552 17.914 -2.217 465 1HB ALA 60 HB1 ALA 60 -1.444 15.637 -1.454 466 2HB ALA 60 HB2 ALA 60 -2.958 15.680 -2.358 467 3HB ALA 60 HB3 ALA 60 -2.981 15.461 -0.608 468 H GLU 61 HN GLU 61 -4.705 16.143 -1.030 469 HA GLU 61 HA GLU 61 -5.896 17.885 0.976 470 1HB GLU 61 HB1 GLU 61 -8.062 17.589 -0.607 471 2HB GLU 61 HB2 GLU 61 -7.015 19.000 -0.649 472 1HG GLU 61 HG1 GLU 61 -5.702 17.715 -2.443 473 2HG GLU 61 HG2 GLU 61 -7.133 16.689 -2.545 474 H GLY 62 HN GLY 62 -8.469 16.854 0.915 475 1HA GLY 62 HA1 GLY 62 -8.015 14.268 2.123 476 2HA GLY 62 HA2 GLY 62 -9.544 15.133 2.045 477 H GLY 63 HN GLY 63 -7.967 14.960 -0.935 478 1HA GLY 63 HA2 GLY 63 -10.021 13.357 -2.087 479 2HA GLY 63 HA1 GLY 63 -8.569 13.918 -2.899 480 H THR 64 HN THR 64 -7.337 12.476 -0.305 481 HA THR 64 HA THR 64 -6.598 10.117 -1.755 482 HB THR 64 HB THR 64 -5.044 9.732 -0.099 483 HG1 THR 64 HG1 THR 64 -5.903 9.443 1.790 484 1HG2 THR 64 HG21 THR 64 -3.927 11.644 0.185 485 2HG2 THR 64 HG22 THR 64 -5.309 12.472 0.900 486 3HG2 THR 64 HG23 THR 64 -5.187 12.311 -0.852 487 H GLU 65 HN GLU 65 -9.319 10.930 -0.130 488 HA GLU 65 HA GLU 65 -9.989 8.740 1.463 489 1HB GLU 65 HB2 GLU 65 -12.349 9.325 0.865 490 2HB GLU 65 HB1 GLU 65 -11.394 10.687 1.429 491 1HG GLU 65 HG2 GLU 65 -11.351 11.693 -0.625 492 2HG GLU 65 HG1 GLU 65 -11.567 10.173 -1.492 493 H ALA 66 HN ALA 66 -9.692 9.101 -1.930 494 HA ALA 66 HA ALA 66 -11.318 7.081 -2.917 495 1HB ALA 66 HB1 ALA 66 -8.703 8.185 -3.904 496 2HB ALA 66 HB2 ALA 66 -10.333 8.529 -4.485 497 3HB ALA 66 HB3 ALA 66 -9.601 6.954 -4.791 498 H ALA 67 HN ALA 67 -8.227 6.869 -1.304 499 HA ALA 67 HA ALA 67 -7.503 4.264 -2.041 500 1HB ALA 67 HB1 ALA 67 -6.228 4.277 0.142 501 2HB ALA 67 HB2 ALA 67 -6.905 5.882 0.423 502 3HB ALA 67 HB3 ALA 67 -5.868 5.596 -0.974 503 H GLU 68 HN GLU 68 -9.192 5.387 0.894 504 HA GLU 68 HA GLU 68 -9.794 2.849 1.917 505 1HB GLU 68 HB1 GLU 68 -11.222 5.495 2.236 506 2HB GLU 68 HB2 GLU 68 -11.631 4.052 3.153 507 1HG GLU 68 HG2 GLU 68 -9.034 4.136 3.699 508 2HG GLU 68 HG1 GLU 68 -9.294 5.851 3.382 509 H GLU 69 HN GLU 69 -11.386 4.847 -0.486 510 HA GLU 69 HA GLU 69 -13.833 3.448 -0.631 511 1HB GLU 69 HB1 GLU 69 -12.687 5.657 -1.901 512 2HB GLU 69 HB2 GLU 69 -12.946 4.492 -3.193 513 1HG GLU 69 HG2 GLU 69 -15.294 4.321 -2.589 514 2HG GLU 69 HG1 GLU 69 -15.046 5.456 -1.263 515 H SER 70 HN SER 70 -10.831 3.180 -2.498 516 HA SER 70 HA SER 70 -11.643 1.012 -4.110 517 1HB SER 70 HB1 SER 70 -9.557 2.648 -4.249 518 2HB SER 70 HB2 SER 70 -8.771 1.348 -3.352 519 HG SER 70 HG SER 70 -8.734 0.197 -5.104 520 H LEU 71 HN LEU 71 -10.755 1.250 -0.833 521 HA LEU 71 HA LEU 71 -9.781 -1.414 -0.470 522 1HB LEU 71 HB1 LEU 71 -10.133 0.949 1.112 523 2HB LEU 71 HB2 LEU 71 -10.842 -0.411 1.955 524 HG LEU 71 HG LEU 71 -8.531 -0.050 2.648 525 1HD1 LEU 71 HD11 LEU 71 -8.802 -2.559 1.002 526 2HD1 LEU 71 HD12 LEU 71 -9.447 -2.332 2.626 527 3HD1 LEU 71 HD13 LEU 71 -7.705 -2.302 2.359 528 1HD2 LEU 71 HD21 LEU 71 -7.891 -0.486 -0.263 529 2HD2 LEU 71 HD22 LEU 71 -6.696 -0.494 1.034 530 3HD2 LEU 71 HD23 LEU 71 -7.611 0.974 0.685 531 H SER 72 HN SER 72 -12.900 0.130 -0.467 532 HA SER 72 HA SER 72 -14.374 -1.873 0.876 533 1HB SER 72 HB2 SER 72 -16.100 -0.467 0.531 534 2HB SER 72 HB1 SER 72 -14.930 0.618 -0.222 535 HG SER 72 HG SER 72 -15.443 -0.302 -2.223 536 H GLY 73 HN GLY 73 -12.788 -1.897 -2.073 537 1HA GLY 73 HA2 GLY 73 -14.006 -4.449 -2.781 538 2HA GLY 73 HA1 GLY 73 -14.129 -3.169 -3.979 539 H ILE 74 HN ILE 74 -11.415 -3.378 -1.868 540 HA ILE 74 HA ILE 74 -9.563 -3.472 -4.026 541 HB ILE 74 HB ILE 74 -9.366 -2.416 -1.640 542 1HG1 ILE 74 HG11 ILE 74 -6.731 -3.218 -1.940 543 2HG1 ILE 74 HG12 ILE 74 -7.405 -3.387 -3.560 544 1HG2 ILE 74 HG21 ILE 74 -9.348 -3.946 -0.015 545 2HG2 ILE 74 HG22 ILE 74 -7.657 -4.167 -0.460 546 3HG2 ILE 74 HG23 ILE 74 -8.887 -5.253 -1.104 547 1HD1 ILE 74 HD11 ILE 74 -8.352 -0.941 -2.661 548 2HD1 ILE 74 HD12 ILE 74 -7.052 -1.221 -3.819 549 3HD1 ILE 74 HD13 ILE 74 -6.677 -1.012 -2.109 550 H GLU 75 HN GLU 75 -7.521 -5.113 -3.146 551 HA GLU 75 HA GLU 75 -8.075 -7.573 -4.278 552 1HB GLU 75 HB2 GLU 75 -5.932 -6.421 -2.638 553 2HB GLU 75 HB1 GLU 75 -6.096 -8.166 -2.460 554 1HG GLU 75 HG1 GLU 75 -5.809 -6.746 -5.095 555 2HG GLU 75 HG2 GLU 75 -4.473 -7.466 -4.194 556 H GLY 76 HN GLY 76 -9.887 -8.610 -3.609 557 1HA GLY 76 HA1 GLY 76 -10.790 -8.899 -0.980 558 2HA GLY 76 HA2 GLY 76 -11.212 -9.962 -2.313 559 H VAL 77 HN VAL 77 -8.338 -10.640 -2.720 560 HA VAL 77 HA VAL 77 -8.234 -12.761 -0.734 561 HB VAL 77 HB VAL 77 -7.807 -12.973 -3.309 562 1HG1 VAL 77 HG11 VAL 77 -5.613 -12.716 -4.075 563 2HG1 VAL 77 HG12 VAL 77 -4.971 -12.524 -2.444 564 3HG1 VAL 77 HG13 VAL 77 -5.940 -11.240 -3.167 565 1HG2 VAL 77 HG21 VAL 77 -6.377 -14.934 -2.881 566 2HG2 VAL 77 HG22 VAL 77 -7.713 -14.823 -1.734 567 3HG2 VAL 77 HG23 VAL 77 -6.086 -14.347 -1.241 568 H SER 78 HN SER 78 -6.370 -9.984 -1.796 569 HA SER 78 HA SER 78 -4.386 -10.442 0.284 570 1HB SER 78 HB1 SER 78 -3.470 -9.853 -1.880 571 2HB SER 78 HB2 SER 78 -4.513 -8.437 -1.978 572 HG SER 78 HG SER 78 -3.131 -8.295 0.285 573 H ASN 79 HN ASN 79 -5.434 -9.909 2.179 574 HA ASN 79 HA ASN 79 -6.842 -7.398 2.417 575 1HB ASN 79 HB2 ASN 79 -7.750 -8.872 3.933 576 2HB ASN 79 HB1 ASN 79 -6.208 -9.631 4.286 577 1HD2 ASN 79 HD21 ASN 79 -6.890 -6.099 4.432 578 2HD2 ASN 79 HD22 ASN 79 -6.641 -5.990 6.135 579 H ILE 80 HN ILE 80 -6.010 -5.549 2.938 580 HA ILE 80 HA ILE 80 -3.147 -5.433 3.372 581 HB ILE 80 HB ILE 80 -4.953 -3.091 2.926 582 1HG1 ILE 80 HG12 ILE 80 -3.780 -4.769 0.709 583 2HG1 ILE 80 HG11 ILE 80 -5.448 -4.921 1.250 584 1HG2 ILE 80 HG21 ILE 80 -2.764 -2.444 3.406 585 2HG2 ILE 80 HG22 ILE 80 -2.906 -2.338 1.651 586 3HG2 ILE 80 HG23 ILE 80 -2.085 -3.710 2.386 587 1HD1 ILE 80 HD11 ILE 80 -4.134 -2.598 -0.109 588 2HD1 ILE 80 HD12 ILE 80 -5.673 -2.445 0.739 589 3HD1 ILE 80 HD13 ILE 80 -5.527 -3.542 -0.634 590 H GLU 81 HN GLU 81 -2.187 -4.443 5.071 591 HA GLU 81 HA GLU 81 -3.817 -3.910 7.425 592 1HB GLU 81 HB1 GLU 81 -1.076 -3.253 7.870 593 2HB GLU 81 HB2 GLU 81 -2.001 -4.579 8.560 594 1HG GLU 81 HG1 GLU 81 -1.381 -6.034 6.777 595 2HG GLU 81 HG2 GLU 81 -0.641 -4.701 5.889 596 H VAL 82 HN VAL 82 -4.838 -2.241 6.252 597 HA VAL 82 HA VAL 82 -3.354 0.013 5.334 598 HB VAL 82 HB VAL 82 -6.333 -0.489 5.576 599 1HG1 VAL 82 HG21 VAL 82 -6.728 1.582 4.797 600 2HG1 VAL 82 HG22 VAL 82 -5.503 1.410 3.540 601 3HG1 VAL 82 HG23 VAL 82 -5.039 1.951 5.154 602 1HG2 VAL 82 HG11 VAL 82 -5.893 -0.609 2.973 603 2HG2 VAL 82 HG12 VAL 82 -5.728 -2.020 4.024 604 3HG2 VAL 82 HG13 VAL 82 -4.294 -1.116 3.522 605 H THR 83 HN THR 83 -2.637 -0.129 7.862 606 HA THR 83 HA THR 83 -4.013 2.134 9.114 607 HB THR 83 HB THR 83 -2.907 -0.080 10.811 608 HG1 THR 83 HG1 THR 83 -4.511 -1.319 10.333 609 1HG2 THR 83 HG21 THR 83 -3.944 2.344 11.471 610 2HG2 THR 83 HG22 THR 83 -3.885 0.935 12.530 611 3HG2 THR 83 HG23 THR 83 -5.349 1.289 11.613 612 H ASP 84 HN ASP 84 -1.270 1.273 7.680 613 HA ASP 84 HA ASP 84 0.594 2.126 9.735 614 1HB ASP 84 HB1 ASP 84 1.042 0.274 8.044 615 2HB ASP 84 HB2 ASP 84 1.228 1.549 6.847 616 H VAL 85 HN VAL 85 1.696 4.027 9.768 617 HA VAL 85 HA VAL 85 1.314 5.973 7.634 618 HB VAL 85 HB VAL 85 -0.558 6.172 9.396 619 1HG1 VAL 85 HG11 VAL 85 1.389 7.790 10.965 620 2HG1 VAL 85 HG12 VAL 85 1.300 6.050 11.245 621 3HG1 VAL 85 HG13 VAL 85 -0.133 7.054 11.468 622 1HG2 VAL 85 HG21 VAL 85 -0.564 8.605 9.209 623 2HG2 VAL 85 HG22 VAL 85 -0.094 7.853 7.685 624 3HG2 VAL 85 HG23 VAL 85 1.132 8.578 8.725 625 H ARG 86 HN ARG 86 2.680 7.899 7.922 626 HA ARG 86 HA ARG 86 4.892 7.613 9.802 627 1HB ARG 86 HB1 ARG 86 5.043 7.359 6.840 628 2HB ARG 86 HB2 ARG 86 6.357 8.180 7.672 629 1HG ARG 86 HG2 ARG 86 5.776 5.805 9.091 630 2HG ARG 86 HG1 ARG 86 5.904 5.412 7.377 631 1HD ARG 86 HD1 ARG 86 8.051 5.334 8.710 632 2HD ARG 86 HD2 ARG 86 8.084 6.305 7.237 633 HE ARG 86 HE ARG 86 7.411 8.016 9.306 634 1HH1 ARG 86 HH12 ARG 86 10.102 5.980 8.435 635 2HH1 ARG 86 HH11 ARG 86 11.278 6.977 9.225 636 1HH2 ARG 86 HH21 ARG 86 8.951 9.334 10.348 637 2HH2 ARG 86 HH22 ARG 86 10.624 8.884 10.313 638 H ARG 87 HN ARG 87 4.931 9.489 10.801 639 HA ARG 87 HA ARG 87 4.179 11.940 9.411 640 1HB ARG 87 HB1 ARG 87 4.531 11.135 12.261 641 2HB ARG 87 HB2 ARG 87 4.720 12.835 11.852 642 1HG ARG 87 HG1 ARG 87 2.322 11.502 10.772 643 2HG ARG 87 HG2 ARG 87 2.379 11.720 12.522 644 1HD ARG 87 HD2 ARG 87 3.093 14.154 11.903 645 2HD ARG 87 HD1 ARG 87 2.344 13.771 10.354 646 HE ARG 87 HE ARG 87 0.278 13.820 11.362 647 1HH1 ARG 87 HH11 ARG 87 2.775 13.881 13.794 648 2HH1 ARG 87 HH12 ARG 87 1.684 14.252 15.087 649 1HH2 ARG 87 HH21 ARG 87 -1.164 14.310 13.060 650 2HH2 ARG 87 HH22 ARG 87 -0.554 14.497 14.670 651 H LEU 88 HN LEU 88 6.100 11.992 7.996 652 HA LEU 88 HA LEU 88 8.653 12.448 9.309 653 1HB LEU 88 HB1 LEU 88 8.673 13.160 6.522 654 2HB LEU 88 HB2 LEU 88 9.598 11.941 7.370 655 HG LEU 88 HG LEU 88 6.797 11.510 6.345 656 1HD1 LEU 88 HD11 LEU 88 9.194 11.738 4.885 657 2HD1 LEU 88 HD12 LEU 88 7.627 11.157 4.318 658 3HD1 LEU 88 HD13 LEU 88 8.808 10.018 4.966 659 1HD2 LEU 88 HD21 LEU 88 6.888 9.473 7.250 660 2HD2 LEU 88 HD22 LEU 88 8.195 10.120 8.245 661 3HD2 LEU 88 HD23 LEU 88 8.567 9.232 6.764 662 H MET 89 HN MET 89 8.268 14.327 10.484 663 HA MET 89 HA MET 89 7.505 16.735 9.023 664 1HB MET 89 HB2 MET 89 8.034 16.317 11.971 665 2HB MET 89 HB1 MET 89 7.440 17.803 11.243 666 1HG MET 89 HG1 MET 89 5.345 16.995 10.956 667 2HG MET 89 HG2 MET 89 5.896 15.338 10.714 668 1HE MET 89 HE1 MET 89 6.213 13.567 13.371 669 2HE MET 89 HE2 MET 89 7.210 14.670 14.318 670 3HE MET 89 HE3 MET 89 7.502 14.482 12.590 Start of MODEL 30 1 1H MET 1 HT1 MET 1 11.683 17.825 7.721 2 2H MET 1 HT2 MET 1 10.569 19.077 8.086 3 3H MET 1 HT3 MET 1 11.530 19.170 6.667 4 HA MET 1 HA MET 1 10.287 17.756 5.533 5 1HB MET 1 HB1 MET 1 9.039 15.902 6.626 6 2HB MET 1 HB2 MET 1 10.762 15.872 6.971 7 1HG MET 1 HG1 MET 1 8.948 17.251 8.879 8 2HG MET 1 HG2 MET 1 8.982 15.488 8.857 9 1HE MET 1 HE1 MET 1 9.887 14.514 10.528 10 2HE MET 1 HE2 MET 1 11.374 14.849 11.415 11 3HE MET 1 HE3 MET 1 11.446 14.064 9.838 12 H GLY 2 HN GLY 2 7.730 17.047 5.702 13 1HA GLY 2 HA1 GLY 2 5.938 18.607 7.143 14 2HA GLY 2 HA2 GLY 2 6.344 19.531 5.703 15 H ASP 3 HN ASP 3 6.680 16.362 4.931 16 HA ASP 3 HA ASP 3 4.138 16.348 3.497 17 1HB ASP 3 HB1 ASP 3 6.590 14.589 3.298 18 2HB ASP 3 HB2 ASP 3 5.133 14.351 2.339 19 H VAL 4 HN VAL 4 2.837 14.374 3.425 20 HA VAL 4 HA VAL 4 2.859 12.982 6.018 21 HB VAL 4 HB VAL 4 0.490 12.989 4.179 22 1HG1 VAL 4 HG21 VAL 4 -0.445 13.011 6.704 23 2HG1 VAL 4 HG22 VAL 4 1.114 12.224 6.953 24 3HG1 VAL 4 HG23 VAL 4 -0.050 11.537 5.819 25 1HG2 VAL 4 HG11 VAL 4 0.290 14.913 6.333 26 2HG2 VAL 4 HG12 VAL 4 -0.068 15.103 4.617 27 3HG2 VAL 4 HG13 VAL 4 1.579 15.329 5.204 28 H VAL 5 HN VAL 5 3.702 10.995 5.915 29 HA VAL 5 HA VAL 5 3.493 9.504 3.390 30 HB VAL 5 HB VAL 5 5.325 8.859 5.700 31 1HG1 VAL 5 HG11 VAL 5 4.732 7.136 3.905 32 2HG1 VAL 5 HG12 VAL 5 6.442 7.428 4.220 33 3HG1 VAL 5 HG13 VAL 5 5.672 8.143 2.804 34 1HG2 VAL 5 HG21 VAL 5 7.095 10.007 4.492 35 2HG2 VAL 5 HG22 VAL 5 5.788 11.127 4.874 36 3HG2 VAL 5 HG23 VAL 5 5.952 10.490 3.238 37 H ALA 6 HN ALA 6 1.788 8.172 3.356 38 HA ALA 6 HA ALA 6 0.974 6.777 5.803 39 1HB ALA 6 HB1 ALA 6 -0.803 5.961 3.928 40 2HB ALA 6 HB2 ALA 6 -0.359 7.546 3.294 41 3HB ALA 6 HB3 ALA 6 -1.008 7.400 4.928 42 H THR 7 HN THR 7 0.404 4.390 5.534 43 HA THR 7 HA THR 7 2.020 3.074 3.494 44 HB THR 7 HB THR 7 2.288 2.269 6.378 45 HG1 THR 7 HG1 THR 7 3.576 4.236 4.945 46 1HG2 THR 7 HG21 THR 7 2.855 0.463 4.969 47 2HG2 THR 7 HG22 THR 7 4.370 1.188 5.508 48 3HG2 THR 7 HG23 THR 7 3.768 1.510 3.879 49 H ILE 8 HN ILE 8 1.093 1.443 2.621 50 HA ILE 8 HA ILE 8 -1.169 0.103 3.958 51 HB ILE 8 HB ILE 8 -0.818 0.376 0.973 52 1HG1 ILE 8 HG12 ILE 8 -0.928 2.609 2.302 53 2HG1 ILE 8 HG11 ILE 8 -2.004 2.390 0.928 54 1HG2 ILE 8 HG21 ILE 8 -2.425 -1.164 1.169 55 2HG2 ILE 8 HG22 ILE 8 -3.452 0.254 1.402 56 3HG2 ILE 8 HG23 ILE 8 -2.871 -0.657 2.800 57 1HD1 ILE 8 HD11 ILE 8 -3.224 1.485 3.386 58 2HD1 ILE 8 HD12 ILE 8 -3.803 2.648 2.192 59 3HD1 ILE 8 HD13 ILE 8 -2.714 3.171 3.479 60 H LYS 9 HN LYS 9 -0.386 -1.848 4.633 61 HA LYS 9 HA LYS 9 1.625 -3.238 3.026 62 1HB LYS 9 HB1 LYS 9 0.725 -4.497 5.524 63 2HB LYS 9 HB2 LYS 9 2.347 -4.219 4.911 64 1HG LYS 9 HG2 LYS 9 0.979 -1.769 5.710 65 2HG LYS 9 HG1 LYS 9 1.187 -2.921 7.023 66 1HD LYS 9 HD2 LYS 9 3.464 -2.209 5.219 67 2HD LYS 9 HD1 LYS 9 3.036 -1.200 6.600 68 1HE LYS 9 HE1 LYS 9 3.437 -2.966 8.131 69 2HE LYS 9 HE2 LYS 9 3.559 -4.152 6.832 70 1HZ LYS 9 HZ1 LYS 9 5.730 -3.794 6.842 71 2HZ LYS 9 HZ2 LYS 9 5.585 -2.527 7.952 72 3HZ LYS 9 HZ3 LYS 9 5.457 -2.217 6.294 73 H VAL 10 HN VAL 10 0.478 -4.114 1.343 74 HA VAL 10 HA VAL 10 -1.841 -5.768 1.918 75 HB VAL 10 HB VAL 10 -2.560 -5.283 -0.130 76 1HG1 VAL 10 HG21 VAL 10 -2.089 -3.161 -0.589 77 2HG1 VAL 10 HG22 VAL 10 -0.434 -3.555 -1.055 78 3HG1 VAL 10 HG23 VAL 10 -0.827 -3.261 0.640 79 1HG2 VAL 10 HG11 VAL 10 -0.971 -7.022 -1.023 80 2HG2 VAL 10 HG12 VAL 10 0.138 -5.700 -1.389 81 3HG2 VAL 10 HG13 VAL 10 -1.449 -5.761 -2.159 82 H MET 11 HN MET 11 -1.991 -7.950 1.676 83 HA MET 11 HA MET 11 0.251 -9.420 0.546 84 1HB MET 11 HB2 MET 11 0.847 -10.627 2.435 85 2HB MET 11 HB1 MET 11 0.537 -9.032 3.101 86 1HG MET 11 HG1 MET 11 -1.280 -9.694 4.260 87 2HG MET 11 HG2 MET 11 -1.741 -10.907 3.067 88 1HE MET 11 HE1 MET 11 -1.198 -13.889 4.230 89 2HE MET 11 HE2 MET 11 0.360 -13.736 3.419 90 3HE MET 11 HE3 MET 11 -1.063 -12.929 2.756 91 HA PRO 12 HA PRO 12 -3.288 -11.658 -1.024 92 1HB PRO 12 HB1 PRO 12 -1.257 -13.506 -2.094 93 2HB PRO 12 HB2 PRO 12 -2.443 -12.519 -2.956 94 1HG PRO 12 HG1 PRO 12 0.172 -11.937 -3.011 95 2HG PRO 12 HG2 PRO 12 -1.065 -10.665 -2.995 96 1HD PRO 12 HD2 PRO 12 0.610 -11.705 -0.733 97 2HD PRO 12 HD1 PRO 12 0.204 -10.027 -1.152 98 H GLU 13 HN GLU 13 -4.474 -13.075 0.071 99 HA GLU 13 HA GLU 13 -3.564 -14.599 2.221 100 1HB GLU 13 HB1 GLU 13 -6.058 -14.197 0.812 101 2HB GLU 13 HB2 GLU 13 -5.873 -15.880 1.285 102 1HG GLU 13 HG2 GLU 13 -5.361 -15.052 3.605 103 2HG GLU 13 HG1 GLU 13 -5.864 -13.454 3.056 104 H SER 14 HN SER 14 -3.824 -15.372 -1.176 105 HA SER 14 HA SER 14 -3.424 -18.196 -0.823 106 1HB SER 14 HB2 SER 14 -3.291 -16.433 -3.284 107 2HB SER 14 HB1 SER 14 -3.175 -18.193 -3.312 108 HG SER 14 HG SER 14 -5.376 -16.563 -2.677 109 HA PRO 15 HA PRO 15 1.000 -18.276 -0.619 110 1HB PRO 15 HB2 PRO 15 1.534 -20.640 -1.847 111 2HB PRO 15 HB1 PRO 15 0.859 -20.534 -0.217 112 1HG PRO 15 HG2 PRO 15 -0.537 -21.042 -2.817 113 2HG PRO 15 HG1 PRO 15 -0.771 -21.835 -1.249 114 1HD PRO 15 HD2 PRO 15 -2.432 -19.905 -2.161 115 2HD PRO 15 HD1 PRO 15 -2.080 -20.120 -0.434 116 H ASP 16 HN ASP 16 -0.723 -17.932 -3.444 117 HA ASP 16 HA ASP 16 1.594 -17.873 -5.218 118 1HB ASP 16 HB1 ASP 16 -0.179 -17.267 -6.952 119 2HB ASP 16 HB2 ASP 16 -0.287 -18.883 -6.259 120 H VAL 17 HN VAL 17 1.766 -16.100 -3.195 121 HA VAL 17 HA VAL 17 0.679 -13.557 -3.620 122 HB VAL 17 HB VAL 17 3.231 -14.376 -2.225 123 1HG1 VAL 17 HG21 VAL 17 2.138 -11.730 -2.783 124 2HG1 VAL 17 HG22 VAL 17 3.742 -12.199 -2.220 125 3HG1 VAL 17 HG23 VAL 17 2.420 -12.025 -1.066 126 1HG2 VAL 17 HG11 VAL 17 0.438 -14.513 -1.545 127 2HG2 VAL 17 HG12 VAL 17 1.313 -13.495 -0.401 128 3HG2 VAL 17 HG13 VAL 17 1.837 -15.155 -0.682 129 H ASP 18 HN ASP 18 0.918 -13.303 -5.944 130 HA ASP 18 HA ASP 18 3.501 -12.994 -7.145 131 1HB ASP 18 HB2 ASP 18 1.971 -11.744 -8.910 132 2HB ASP 18 HB1 ASP 18 1.939 -13.498 -8.766 133 H LEU 19 HN LEU 19 4.689 -11.472 -6.023 134 HA LEU 19 HA LEU 19 3.651 -9.006 -5.109 135 1HB LEU 19 HB2 LEU 19 5.761 -8.529 -4.352 136 2HB LEU 19 HB1 LEU 19 5.828 -10.277 -4.437 137 HG LEU 19 HG LEU 19 6.758 -9.597 -6.909 138 1HD1 LEU 19 HD11 LEU 19 6.794 -7.245 -6.528 139 2HD1 LEU 19 HD12 LEU 19 8.462 -7.817 -6.474 140 3HD1 LEU 19 HD13 LEU 19 7.607 -7.451 -4.976 141 1HD2 LEU 19 HD21 LEU 19 8.976 -10.113 -6.009 142 2HD2 LEU 19 HD22 LEU 19 7.749 -11.221 -5.396 143 3HD2 LEU 19 HD23 LEU 19 8.353 -9.919 -4.370 144 H GLU 20 HN GLU 20 5.424 -9.907 -8.042 145 HA GLU 20 HA GLU 20 5.659 -7.292 -9.051 146 1HB GLU 20 HB1 GLU 20 7.078 -8.984 -9.952 147 2HB GLU 20 HB2 GLU 20 5.709 -9.997 -10.387 148 1HG GLU 20 HG1 GLU 20 6.267 -9.144 -12.426 149 2HG GLU 20 HG2 GLU 20 5.069 -7.961 -11.900 150 H ALA 21 HN ALA 21 3.182 -9.761 -9.393 151 HA ALA 21 HA ALA 21 1.649 -8.309 -11.322 152 1HB ALA 21 HB1 ALA 21 0.611 -10.440 -9.470 153 2HB ALA 21 HB2 ALA 21 1.528 -10.800 -10.933 154 3HB ALA 21 HB3 ALA 21 -0.023 -9.967 -11.048 155 H LEU 22 HN LEU 22 1.720 -8.584 -7.847 156 HA LEU 22 HA LEU 22 -0.654 -7.116 -7.305 157 1HB LEU 22 HB2 LEU 22 1.281 -8.515 -5.832 158 2HB LEU 22 HB1 LEU 22 1.380 -6.862 -5.258 159 HG LEU 22 HG LEU 22 -1.113 -8.568 -5.299 160 1HD1 LEU 22 HD11 LEU 22 0.380 -9.353 -3.608 161 2HD1 LEU 22 HD12 LEU 22 -0.883 -8.404 -2.821 162 3HD1 LEU 22 HD13 LEU 22 0.719 -7.708 -3.069 163 1HD2 LEU 22 HD21 LEU 22 -1.421 -6.089 -5.646 164 2HD2 LEU 22 HD22 LEU 22 -0.743 -5.870 -4.029 165 3HD2 LEU 22 HD23 LEU 22 -2.238 -6.783 -4.237 166 H LYS 23 HN LYS 23 2.601 -6.312 -8.067 167 HA LYS 23 HA LYS 23 2.789 -3.713 -7.078 168 1HB LYS 23 HB2 LYS 23 4.223 -5.414 -8.942 169 2HB LYS 23 HB1 LYS 23 4.218 -3.740 -9.474 170 1HG LYS 23 HG1 LYS 23 4.836 -3.437 -6.857 171 2HG LYS 23 HG2 LYS 23 5.570 -5.004 -7.194 172 1HD LYS 23 HD1 LYS 23 6.208 -3.349 -9.371 173 2HD LYS 23 HD2 LYS 23 6.479 -2.384 -7.918 174 1HE LYS 23 HE1 LYS 23 8.324 -3.520 -7.422 175 2HE LYS 23 HE2 LYS 23 7.477 -5.061 -7.557 176 1HZ LYS 23 HZ1 LYS 23 8.620 -3.532 -9.834 177 2HZ LYS 23 HZ2 LYS 23 7.855 -5.037 -9.931 178 3HZ LYS 23 HZ3 LYS 23 9.330 -4.889 -9.115 179 H LYS 24 HN LYS 24 1.651 -4.900 -10.218 180 HA LYS 24 HA LYS 24 1.150 -2.361 -11.338 181 1HB LYS 24 HB1 LYS 24 -0.526 -4.718 -12.100 182 2HB LYS 24 HB2 LYS 24 0.149 -3.458 -13.120 183 1HG LYS 24 HG2 LYS 24 2.255 -4.465 -13.160 184 2HG LYS 24 HG1 LYS 24 1.897 -5.496 -11.786 185 1HD LYS 24 HD1 LYS 24 0.577 -5.671 -14.489 186 2HD LYS 24 HD2 LYS 24 1.863 -6.734 -13.905 187 1HE LYS 24 HE2 LYS 24 -0.014 -6.763 -11.883 188 2HE LYS 24 HE1 LYS 24 -0.983 -6.790 -13.359 189 1HZ LYS 24 HZ1 LYS 24 1.261 -8.655 -12.816 190 2HZ LYS 24 HZ2 LYS 24 0.172 -8.724 -14.108 191 3HZ LYS 24 HZ3 LYS 24 -0.365 -9.022 -12.531 192 H GLU 25 HN GLU 25 -0.841 -4.575 -9.438 193 HA GLU 25 HA GLU 25 -3.285 -3.160 -9.749 194 1HB GLU 25 HB2 GLU 25 -4.104 -4.851 -8.547 195 2HB GLU 25 HB1 GLU 25 -2.488 -5.536 -8.645 196 1HG GLU 25 HG1 GLU 25 -2.108 -5.245 -6.501 197 2HG GLU 25 HG2 GLU 25 -2.800 -3.627 -6.514 198 H ILE 26 HN ILE 26 -0.649 -3.084 -7.537 199 HA ILE 26 HA ILE 26 -1.767 -1.509 -5.564 200 HB ILE 26 HB ILE 26 1.035 -2.071 -6.407 201 1HG1 ILE 26 HG11 ILE 26 0.012 -2.185 -3.604 202 2HG1 ILE 26 HG12 ILE 26 -0.603 -3.360 -4.761 203 1HG2 ILE 26 HG21 ILE 26 1.913 -0.616 -4.609 204 2HG2 ILE 26 HG22 ILE 26 0.301 0.078 -4.427 205 3HG2 ILE 26 HG23 ILE 26 1.184 0.285 -5.938 206 1HD1 ILE 26 HD11 ILE 26 1.157 -4.578 -4.152 207 2HD1 ILE 26 HD12 ILE 26 1.997 -3.190 -3.459 208 3HD1 ILE 26 HD13 ILE 26 2.082 -3.497 -5.194 209 H GLN 27 HN GLN 27 -0.131 -0.574 -8.549 210 HA GLN 27 HA GLN 27 -0.012 2.202 -8.026 211 1HB GLN 27 HB1 GLN 27 -0.221 0.812 -10.704 212 2HB GLN 27 HB2 GLN 27 0.345 2.453 -10.427 213 1HG GLN 27 HG1 GLN 27 1.885 0.708 -8.806 214 2HG GLN 27 HG2 GLN 27 1.830 0.044 -10.439 215 1HE2 GLN 27 HE22 GLN 27 3.422 2.121 -8.425 216 2HE2 GLN 27 HE21 GLN 27 4.238 3.085 -9.604 217 H GLU 28 HN GLU 28 -2.457 0.089 -9.385 218 HA GLU 28 HA GLU 28 -4.206 2.212 -10.195 219 1HB GLU 28 HB1 GLU 28 -5.051 -0.634 -9.721 220 2HB GLU 28 HB2 GLU 28 -5.701 0.523 -10.872 221 1HG GLU 28 HG1 GLU 28 -2.894 -0.513 -11.060 222 2HG GLU 28 HG2 GLU 28 -4.262 -1.354 -11.788 223 H ARG 29 HN ARG 29 -3.662 0.476 -7.251 224 HA ARG 29 HA ARG 29 -6.247 1.187 -6.152 225 1HB ARG 29 HB2 ARG 29 -5.690 -0.167 -4.301 226 2HB ARG 29 HB1 ARG 29 -5.031 -1.001 -5.699 227 1HG ARG 29 HG1 ARG 29 -2.890 -0.693 -5.049 228 2HG ARG 29 HG2 ARG 29 -3.223 0.871 -4.302 229 1HD ARG 29 HD1 ARG 29 -4.625 -1.117 -2.837 230 2HD ARG 29 HD2 ARG 29 -2.971 -1.680 -3.061 231 HE ARG 29 HE ARG 29 -2.265 -0.022 -1.642 232 1HH1 ARG 29 HH21 ARG 29 -5.501 0.703 -2.715 233 2HH1 ARG 29 HH22 ARG 29 -5.695 2.046 -1.641 234 1HH2 ARG 29 HH12 ARG 29 -2.517 1.748 -0.227 235 2HH2 ARG 29 HH11 ARG 29 -4.001 2.640 -0.227 236 H ILE 30 HN ILE 30 -3.223 2.687 -6.423 237 HA ILE 30 HA ILE 30 -2.951 3.986 -3.963 238 HB ILE 30 HB ILE 30 -2.194 4.949 -6.720 239 1HG1 ILE 30 HG12 ILE 30 -0.962 2.986 -6.107 240 2HG1 ILE 30 HG11 ILE 30 0.112 4.364 -5.917 241 1HG2 ILE 30 HG21 ILE 30 -2.437 6.542 -4.477 242 2HG2 ILE 30 HG22 ILE 30 -1.470 6.896 -5.910 243 3HG2 ILE 30 HG23 ILE 30 -0.721 6.126 -4.511 244 1HD1 ILE 30 HD11 ILE 30 -1.303 3.754 -3.469 245 2HD1 ILE 30 HD12 ILE 30 0.426 3.935 -3.765 246 3HD1 ILE 30 HD13 ILE 30 -0.362 2.385 -4.061 247 HA PRO 31 HA PRO 31 -6.464 6.659 -3.520 248 1HB PRO 31 HB2 PRO 31 -4.915 8.847 -2.598 249 2HB PRO 31 HB1 PRO 31 -5.810 7.687 -1.626 250 1HG PRO 31 HG2 PRO 31 -2.925 7.771 -2.287 251 2HG PRO 31 HG1 PRO 31 -3.739 7.097 -0.864 252 1HD PRO 31 HD1 PRO 31 -2.703 5.517 -2.768 253 2HD PRO 31 HD2 PRO 31 -4.205 5.097 -1.919 254 H GLU 32 HN GLU 32 -7.418 7.634 -5.169 255 HA GLU 32 HA GLU 32 -6.150 8.613 -7.438 256 1HB GLU 32 HB1 GLU 32 -8.885 8.653 -6.348 257 2HB GLU 32 HB2 GLU 32 -8.532 9.934 -7.499 258 1HG GLU 32 HG2 GLU 32 -7.534 7.444 -8.494 259 2HG GLU 32 HG1 GLU 32 -9.228 7.271 -8.032 260 H GLY 33 HN GLY 33 -6.161 10.052 -4.429 261 1HA GLY 33 HA1 GLY 33 -6.333 12.796 -5.318 262 2HA GLY 33 HA2 GLY 33 -5.932 12.245 -3.698 263 H THR 34 HN THR 34 -3.714 10.880 -3.823 264 HA THR 34 HA THR 34 -1.803 12.649 -5.200 265 HB THR 34 HB THR 34 -0.765 11.104 -2.934 266 HG1 THR 34 HG1 THR 34 -2.448 13.250 -2.261 267 1HG2 THR 34 HG21 THR 34 -0.655 13.976 -2.698 268 2HG2 THR 34 HG22 THR 34 -0.067 13.419 -4.266 269 3HG2 THR 34 HG23 THR 34 0.651 12.793 -2.781 270 H GLU 35 HN GLU 35 0.362 10.788 -4.242 271 HA GLU 35 HA GLU 35 -0.111 8.473 -5.989 272 1HB GLU 35 HB1 GLU 35 2.353 10.228 -6.085 273 2HB GLU 35 HB2 GLU 35 2.098 8.756 -7.012 274 1HG GLU 35 HG1 GLU 35 0.044 9.945 -7.972 275 2HG GLU 35 HG2 GLU 35 0.759 11.415 -7.312 276 H LEU 36 HN LEU 36 1.880 6.976 -5.823 277 HA LEU 36 HA LEU 36 2.056 6.199 -3.089 278 1HB LEU 36 HB1 LEU 36 3.399 4.334 -3.908 279 2HB LEU 36 HB2 LEU 36 1.954 4.549 -4.878 280 HG LEU 36 HG LEU 36 4.296 5.959 -5.937 281 1HD1 LEU 36 HD11 LEU 36 5.022 3.632 -4.850 282 2HD1 LEU 36 HD12 LEU 36 5.707 4.238 -6.358 283 3HD1 LEU 36 HD13 LEU 36 4.413 3.040 -6.397 284 1HD2 LEU 36 HD21 LEU 36 3.392 4.310 -7.877 285 2HD2 LEU 36 HD22 LEU 36 2.712 5.899 -7.530 286 3HD2 LEU 36 HD23 LEU 36 1.951 4.452 -6.870 287 H HIS 37 HN HIS 37 4.464 5.276 -2.554 288 HA HIS 37 HA HIS 37 6.339 7.530 -2.788 289 1HB HIS 37 HB1 HIS 37 5.224 7.595 -0.587 290 2HB HIS 37 HB2 HIS 37 5.732 5.944 -0.285 291 HD2 HIS 37 HD2 HIS 37 8.117 5.675 0.908 292 HE1 HIS 37 HE1 HIS 37 9.441 9.654 0.319 293 HE2 HIS 37 HE2 HIS 37 9.970 7.425 1.410 294 H LYS 38 HN LYS 38 6.356 4.433 -1.116 295 HA LYS 38 HA LYS 38 8.150 3.176 -2.959 296 1HB LYS 38 HB2 LYS 38 10.078 3.853 -2.067 297 2HB LYS 38 HB1 LYS 38 9.227 4.781 -0.849 298 1HG LYS 38 HG2 LYS 38 10.547 3.409 0.429 299 2HG LYS 38 HG1 LYS 38 9.030 2.511 0.384 300 1HD LYS 38 HD1 LYS 38 9.870 0.903 -1.038 301 2HD LYS 38 HD2 LYS 38 11.097 1.984 -1.702 302 1HE LYS 38 HE2 LYS 38 12.368 0.568 -0.397 303 2HE LYS 38 HE1 LYS 38 12.081 1.918 0.701 304 1HZ LYS 38 HZ1 LYS 38 10.034 -0.080 0.845 305 2HZ LYS 38 HZ2 LYS 38 10.948 0.618 2.085 306 3HZ LYS 38 HZ3 LYS 38 11.562 -0.700 1.222 307 H ILE 39 HN ILE 39 7.815 1.047 -2.870 308 HA ILE 39 HA ILE 39 6.125 0.028 -0.733 309 HB ILE 39 HB ILE 39 6.967 -1.507 -3.169 310 1HG1 ILE 39 HG11 ILE 39 4.853 0.626 -2.874 311 2HG1 ILE 39 HG12 ILE 39 6.106 0.497 -4.102 312 1HG2 ILE 39 HG21 ILE 39 4.628 -1.635 -1.278 313 2HG2 ILE 39 HG22 ILE 39 5.893 -2.841 -1.513 314 3HG2 ILE 39 HG23 ILE 39 4.713 -2.542 -2.789 315 1HD1 ILE 39 HD11 ILE 39 3.450 -0.741 -3.968 316 2HD1 ILE 39 HD12 ILE 39 4.746 -1.771 -4.576 317 3HD1 ILE 39 HD13 ILE 39 4.403 -0.230 -5.362 318 H ASP 40 HN ASP 40 6.512 -1.987 0.308 319 HA ASP 40 HA ASP 40 9.369 -2.689 0.520 320 1HB ASP 40 HB1 ASP 40 7.795 -1.630 2.499 321 2HB ASP 40 HB2 ASP 40 7.637 -3.358 2.802 322 H GLU 41 HN GLU 41 9.836 -4.704 -0.084 323 HA GLU 41 HA GLU 41 7.688 -6.630 -0.490 324 1HB GLU 41 HB1 GLU 41 10.594 -7.219 -0.972 325 2HB GLU 41 HB2 GLU 41 9.182 -7.852 -1.807 326 1HG GLU 41 HG1 GLU 41 9.010 -6.048 -3.185 327 2HG GLU 41 HG2 GLU 41 9.729 -4.945 -2.013 328 H GLU 42 HN GLU 42 7.408 -6.551 1.944 329 HA GLU 42 HA GLU 42 9.373 -8.174 3.368 330 1HB GLU 42 HB1 GLU 42 7.444 -6.106 4.117 331 2HB GLU 42 HB2 GLU 42 7.496 -7.467 5.230 332 1HG GLU 42 HG1 GLU 42 9.094 -5.348 5.436 333 2HG GLU 42 HG2 GLU 42 9.564 -6.973 5.961 334 HA PRO 43 HA PRO 43 6.641 -11.612 3.342 335 1HB PRO 43 HB1 PRO 43 8.090 -13.197 5.033 336 2HB PRO 43 HB2 PRO 43 8.531 -12.868 3.355 337 1HG PRO 43 HG2 PRO 43 9.834 -11.980 5.798 338 2HG PRO 43 HG1 PRO 43 10.397 -11.839 4.127 339 1HD PRO 43 HD1 PRO 43 9.123 -9.824 5.820 340 2HD PRO 43 HD2 PRO 43 9.965 -9.618 4.274 341 H ILE 44 HN ILE 44 5.249 -12.918 4.558 342 HA ILE 44 HA ILE 44 4.709 -11.995 7.301 343 HB ILE 44 HB ILE 44 2.476 -12.844 5.507 344 1HG1 ILE 44 HG12 ILE 44 3.774 -11.106 4.278 345 2HG1 ILE 44 HG11 ILE 44 2.154 -10.570 4.718 346 1HG2 ILE 44 HG21 ILE 44 1.959 -10.639 7.273 347 2HG2 ILE 44 HG22 ILE 44 2.700 -11.973 8.154 348 3HG2 ILE 44 HG23 ILE 44 1.221 -12.239 7.232 349 1HD1 ILE 44 HD11 ILE 44 3.580 -9.694 6.847 350 2HD1 ILE 44 HD12 ILE 44 3.229 -8.730 5.412 351 3HD1 ILE 44 HD13 ILE 44 4.777 -9.563 5.558 352 H ALA 45 HN ALA 45 3.011 -14.382 5.329 353 HA ALA 45 HA ALA 45 3.028 -16.333 7.386 354 1HB ALA 45 HB1 ALA 45 2.488 -16.916 4.492 355 2HB ALA 45 HB2 ALA 45 1.335 -16.043 5.500 356 3HB ALA 45 HB3 ALA 45 1.804 -17.691 5.920 357 H PHE 46 HN PHE 46 3.529 -18.621 5.562 358 HA PHE 46 HA PHE 46 6.284 -19.002 6.173 359 1HB PHE 46 HB2 PHE 46 6.010 -21.162 4.992 360 2HB PHE 46 HB1 PHE 46 4.746 -20.886 6.185 361 HD1 PHE 46 HD1 PHE 46 2.463 -20.365 5.481 362 HD2 PHE 46 HD2 PHE 46 5.509 -21.294 2.659 363 HE1 PHE 46 HE1 PHE 46 0.746 -20.764 3.766 364 HE2 PHE 46 HE2 PHE 46 3.797 -21.694 0.938 365 HZ PHE 46 HZ PHE 46 1.412 -21.429 1.490 366 H GLY 47 HN GLY 47 4.492 -18.066 3.327 367 1HA GLY 47 HA1 GLY 47 6.995 -17.296 2.036 368 2HA GLY 47 HA2 GLY 47 6.002 -18.470 1.183 369 H LEU 48 HN LEU 48 4.047 -16.426 2.950 370 HA LEU 48 HA LEU 48 3.236 -15.021 0.548 371 1HB LEU 48 HB2 LEU 48 2.050 -15.358 3.291 372 2HB LEU 48 HB1 LEU 48 1.394 -14.204 2.146 373 HG LEU 48 HG LEU 48 1.050 -16.099 0.543 374 1HD1 LEU 48 HD21 LEU 48 1.310 -18.320 1.145 375 2HD1 LEU 48 HD22 LEU 48 1.407 -17.946 2.867 376 3HD1 LEU 48 HD23 LEU 48 2.758 -17.556 1.801 377 1HD2 LEU 48 HD11 LEU 48 -0.369 -16.521 3.159 378 2HD2 LEU 48 HD12 LEU 48 -0.977 -16.829 1.532 379 3HD2 LEU 48 HD13 LEU 48 -0.711 -15.173 2.074 380 H VAL 49 HN VAL 49 4.619 -13.379 0.148 381 HA VAL 49 HA VAL 49 5.492 -11.616 2.270 382 HB VAL 49 HB VAL 49 6.175 -11.896 -0.641 383 1HG1 VAL 49 HG21 VAL 49 6.247 -9.451 0.811 384 2HG1 VAL 49 HG22 VAL 49 6.811 -9.781 -0.827 385 3HG1 VAL 49 HG23 VAL 49 7.904 -9.992 0.541 386 1HG2 VAL 49 HG11 VAL 49 7.265 -12.825 1.831 387 2HG2 VAL 49 HG12 VAL 49 8.444 -11.794 1.017 388 3HG2 VAL 49 HG13 VAL 49 7.769 -13.193 0.181 389 H ALA 50 HN ALA 50 4.601 -9.735 2.768 390 HA ALA 50 HA ALA 50 2.517 -8.610 1.071 391 1HB ALA 50 HB1 ALA 50 2.102 -8.899 3.487 392 2HB ALA 50 HB2 ALA 50 1.969 -7.214 2.972 393 3HB ALA 50 HB3 ALA 50 3.414 -7.768 3.825 394 H LEU 51 HN LEU 51 2.572 -6.573 0.214 395 HA LEU 51 HA LEU 51 5.198 -5.267 0.189 396 1HB LEU 51 HB2 LEU 51 3.093 -4.461 -1.739 397 2HB LEU 51 HB1 LEU 51 4.825 -4.610 -1.966 398 HG LEU 51 HG LEU 51 2.833 -6.877 -1.910 399 1HD1 LEU 51 HD21 LEU 51 4.096 -5.286 -4.045 400 2HD1 LEU 51 HD22 LEU 51 2.556 -6.146 -4.025 401 3HD1 LEU 51 HD23 LEU 51 4.056 -7.031 -4.295 402 1HD2 LEU 51 HD11 LEU 51 4.519 -8.200 -1.362 403 2HD2 LEU 51 HD12 LEU 51 5.670 -6.865 -1.447 404 3HD2 LEU 51 HD13 LEU 51 5.274 -7.781 -2.901 405 H ASN 52 HN ASN 52 5.402 -3.547 1.411 406 HA ASN 52 HA ASN 52 3.050 -2.167 2.418 407 1HB ASN 52 HB1 ASN 52 5.904 -1.462 3.086 408 2HB ASN 52 HB2 ASN 52 4.460 -1.271 4.076 409 1HD2 ASN 52 HD22 ASN 52 3.444 -3.913 3.541 410 2HD2 ASN 52 HD21 ASN 52 4.441 -5.017 4.418 411 H VAL 53 HN VAL 53 2.310 -1.032 0.697 412 HA VAL 53 HA VAL 53 4.038 0.698 -0.821 413 HB VAL 53 HB VAL 53 1.027 0.608 -0.941 414 1HG1 VAL 53 HG21 VAL 53 2.128 2.459 -2.113 415 2HG1 VAL 53 HG22 VAL 53 1.361 1.339 -3.240 416 3HG1 VAL 53 HG23 VAL 53 3.110 1.303 -3.012 417 1HG2 VAL 53 HG11 VAL 53 1.055 -1.431 -1.808 418 2HG2 VAL 53 HG12 VAL 53 2.770 -1.546 -1.406 419 3HG2 VAL 53 HG13 VAL 53 2.272 -0.954 -2.991 420 H MET 54 HN MET 54 4.758 2.413 0.290 421 HA MET 54 HA MET 54 3.008 3.970 1.987 422 1HB MET 54 HB1 MET 54 5.900 4.286 1.163 423 2HB MET 54 HB2 MET 54 5.070 5.432 2.205 424 1HG MET 54 HG1 MET 54 5.406 4.163 3.985 425 2HG MET 54 HG2 MET 54 4.725 2.751 3.180 426 1HE MET 54 HE1 MET 54 6.329 0.731 3.851 427 2HE MET 54 HE2 MET 54 6.559 1.921 5.132 428 3HE MET 54 HE3 MET 54 7.955 1.113 4.418 429 H VAL 55 HN VAL 55 2.963 6.388 1.682 430 HA VAL 55 HA VAL 55 2.977 7.153 -1.143 431 HB VAL 55 HB VAL 55 0.783 8.025 -1.139 432 1HG1 VAL 55 HG11 VAL 55 0.697 5.721 -1.586 433 2HG1 VAL 55 HG12 VAL 55 -0.606 6.022 -0.436 434 3HG1 VAL 55 HG13 VAL 55 0.907 5.305 0.115 435 1HG2 VAL 55 HG21 VAL 55 -0.672 8.161 0.756 436 2HG2 VAL 55 HG22 VAL 55 0.856 8.933 1.180 437 3HG2 VAL 55 HG23 VAL 55 0.494 7.311 1.771 438 H VAL 56 HN VAL 56 3.874 9.082 -1.465 439 HA VAL 56 HA VAL 56 4.383 10.768 0.880 440 HB VAL 56 HB VAL 56 6.430 10.411 -0.134 441 1HG1 VAL 56 HG21 VAL 56 6.497 9.483 -2.141 442 2HG1 VAL 56 HG22 VAL 56 6.231 11.080 -2.843 443 3HG1 VAL 56 HG23 VAL 56 4.858 10.029 -2.500 444 1HG2 VAL 56 HG11 VAL 56 5.917 12.823 -1.755 445 2HG2 VAL 56 HG12 VAL 56 7.154 12.511 -0.537 446 3HG2 VAL 56 HG13 VAL 56 5.515 12.931 -0.041 447 H VAL 57 HN VAL 57 2.824 12.207 1.212 448 HA VAL 57 HA VAL 57 1.854 13.762 -1.096 449 HB VAL 57 HB VAL 57 -0.332 13.798 -0.313 450 1HG1 VAL 57 HG21 VAL 57 -0.956 11.620 -0.437 451 2HG1 VAL 57 HG22 VAL 57 0.199 11.103 0.791 452 3HG1 VAL 57 HG23 VAL 57 0.744 11.419 -0.857 453 1HG2 VAL 57 HG11 VAL 57 -0.548 12.579 2.147 454 2HG2 VAL 57 HG12 VAL 57 -0.608 14.315 1.843 455 3HG2 VAL 57 HG13 VAL 57 0.913 13.553 2.306 456 H GLY 58 HN GLY 58 0.817 15.906 -0.280 457 1HA GLY 58 HA2 GLY 58 1.645 17.032 2.161 458 2HA GLY 58 HA1 GLY 58 2.836 17.439 0.933 459 H ASP 59 HN ASP 59 1.940 18.443 -1.086 460 HA ASP 59 HA ASP 59 0.217 20.623 -0.326 461 1HB ASP 59 HB1 ASP 59 1.577 19.942 -2.942 462 2HB ASP 59 HB2 ASP 59 0.643 21.411 -2.666 463 H ALA 60 HN ALA 60 -0.463 17.573 -1.129 464 HA ALA 60 HA ALA 60 -2.441 17.814 -3.144 465 1HB ALA 60 HB1 ALA 60 -2.522 15.675 -1.057 466 2HB ALA 60 HB2 ALA 60 -1.217 15.712 -2.244 467 3HB ALA 60 HB3 ALA 60 -2.892 15.575 -2.779 468 H GLU 61 HN GLU 61 -4.535 16.319 -1.718 469 HA GLU 61 HA GLU 61 -5.557 18.222 0.231 470 1HB GLU 61 HB1 GLU 61 -7.805 17.926 -1.252 471 2HB GLU 61 HB2 GLU 61 -6.720 19.303 -1.378 472 1HG GLU 61 HG1 GLU 61 -5.511 17.792 -3.143 473 2HG GLU 61 HG2 GLU 61 -7.081 16.994 -3.218 474 H GLY 62 HN GLY 62 -8.208 17.276 0.238 475 1HA GLY 62 HA1 GLY 62 -7.813 14.777 1.639 476 2HA GLY 62 HA2 GLY 62 -9.323 15.668 1.493 477 H GLY 63 HN GLY 63 -7.753 15.257 -1.464 478 1HA GLY 63 HA2 GLY 63 -9.833 13.606 -2.501 479 2HA GLY 63 HA1 GLY 63 -8.378 14.097 -3.353 480 H THR 64 HN THR 64 -7.135 12.829 -0.686 481 HA THR 64 HA THR 64 -6.436 10.363 -1.965 482 HB THR 64 HB THR 64 -4.897 10.058 -0.258 483 HG1 THR 64 HG1 THR 64 -5.449 10.234 1.748 484 1HG2 THR 64 HG21 THR 64 -5.248 12.782 -1.050 485 2HG2 THR 64 HG22 THR 64 -3.765 11.900 -0.687 486 3HG2 THR 64 HG23 THR 64 -4.652 12.702 0.608 487 H GLU 65 HN GLU 65 -9.115 11.330 -0.327 488 HA GLU 65 HA GLU 65 -9.773 9.246 1.408 489 1HB GLU 65 HB2 GLU 65 -12.137 9.852 0.871 490 2HB GLU 65 HB1 GLU 65 -11.134 11.226 1.309 491 1HG GLU 65 HG2 GLU 65 -11.679 12.240 -0.571 492 2HG GLU 65 HG1 GLU 65 -10.991 10.908 -1.500 493 H ALA 66 HN ALA 66 -9.581 9.406 -2.003 494 HA ALA 66 HA ALA 66 -11.285 7.376 -2.825 495 1HB ALA 66 HB1 ALA 66 -9.426 7.088 -4.667 496 2HB ALA 66 HB2 ALA 66 -8.789 8.560 -3.932 497 3HB ALA 66 HB3 ALA 66 -10.423 8.542 -4.597 498 H ALA 67 HN ALA 67 -8.205 7.177 -1.226 499 HA ALA 67 HA ALA 67 -7.484 4.549 -1.866 500 1HB ALA 67 HB1 ALA 67 -5.762 4.962 -0.514 501 2HB ALA 67 HB2 ALA 67 -6.822 5.247 0.866 502 3HB ALA 67 HB3 ALA 67 -6.463 6.560 -0.255 503 H GLU 68 HN GLU 68 -9.184 5.746 1.034 504 HA GLU 68 HA GLU 68 -9.837 3.238 2.087 505 1HB GLU 68 HB1 GLU 68 -11.290 5.877 2.352 506 2HB GLU 68 HB2 GLU 68 -11.614 4.457 3.338 507 1HG GLU 68 HG2 GLU 68 -8.861 4.880 3.527 508 2HG GLU 68 HG1 GLU 68 -9.597 6.478 3.644 509 H GLU 69 HN GLU 69 -11.388 5.206 -0.364 510 HA GLU 69 HA GLU 69 -13.863 3.865 -0.480 511 1HB GLU 69 HB1 GLU 69 -12.713 6.023 -1.771 512 2HB GLU 69 HB2 GLU 69 -12.875 4.832 -3.055 513 1HG GLU 69 HG1 GLU 69 -15.163 5.524 -1.247 514 2HG GLU 69 HG2 GLU 69 -14.796 6.465 -2.694 515 H SER 70 HN SER 70 -10.881 3.466 -2.360 516 HA SER 70 HA SER 70 -11.777 1.258 -3.879 517 1HB SER 70 HB2 SER 70 -9.611 1.149 -4.729 518 2HB SER 70 HB1 SER 70 -9.714 2.836 -4.226 519 HG SER 70 HG SER 70 -8.884 1.658 -2.112 520 H LEU 71 HN LEU 71 -10.693 1.591 -0.645 521 HA LEU 71 HA LEU 71 -9.740 -1.062 -0.255 522 1HB LEU 71 HB2 LEU 71 -10.085 1.324 1.305 523 2HB LEU 71 HB1 LEU 71 -10.678 -0.059 2.201 524 HG LEU 71 HG LEU 71 -8.361 0.381 2.766 525 1HD1 LEU 71 HD11 LEU 71 -8.294 -1.820 3.049 526 2HD1 LEU 71 HD12 LEU 71 -7.549 -1.931 1.455 527 3HD1 LEU 71 HD13 LEU 71 -9.297 -2.097 1.625 528 1HD2 LEU 71 HD21 LEU 71 -7.440 1.495 0.948 529 2HD2 LEU 71 HD22 LEU 71 -7.975 0.266 -0.200 530 3HD2 LEU 71 HD23 LEU 71 -6.645 -0.079 0.905 531 H SER 72 HN SER 72 -12.857 0.441 -0.224 532 HA SER 72 HA SER 72 -14.277 -1.474 1.279 533 1HB SER 72 HB2 SER 72 -15.974 -0.053 0.910 534 2HB SER 72 HB1 SER 72 -14.866 0.916 -0.064 535 HG SER 72 HG SER 72 -15.513 -0.327 -1.879 536 H GLY 73 HN GLY 73 -12.863 -1.624 -1.803 537 1HA GLY 73 HA2 GLY 73 -13.978 -4.285 -2.224 538 2HA GLY 73 HA1 GLY 73 -14.296 -3.102 -3.484 539 H ILE 74 HN ILE 74 -11.378 -3.072 -1.631 540 HA ILE 74 HA ILE 74 -9.748 -3.179 -3.960 541 HB ILE 74 HB ILE 74 -9.355 -1.977 -1.685 542 1HG1 ILE 74 HG12 ILE 74 -6.831 -3.230 -2.603 543 2HG1 ILE 74 HG11 ILE 74 -7.798 -2.419 -3.831 544 1HG2 ILE 74 HG21 ILE 74 -7.941 -4.568 -1.101 545 2HG2 ILE 74 HG22 ILE 74 -9.456 -4.063 -0.352 546 3HG2 ILE 74 HG23 ILE 74 -7.987 -3.122 -0.092 547 1HD1 ILE 74 HD11 ILE 74 -5.970 -1.249 -2.133 548 2HD1 ILE 74 HD12 ILE 74 -7.535 -0.815 -1.444 549 3HD1 ILE 74 HD13 ILE 74 -7.169 -0.418 -3.124 550 H GLU 75 HN GLU 75 -7.534 -4.669 -3.075 551 HA GLU 75 HA GLU 75 -7.981 -7.187 -4.124 552 1HB GLU 75 HB1 GLU 75 -5.829 -7.778 -2.857 553 2HB GLU 75 HB2 GLU 75 -5.745 -6.421 -3.977 554 1HG GLU 75 HG1 GLU 75 -6.482 -5.350 -1.491 555 2HG GLU 75 HG2 GLU 75 -5.169 -6.489 -1.190 556 H GLY 76 HN GLY 76 -9.840 -8.114 -3.274 557 1HA GLY 76 HA1 GLY 76 -10.416 -8.422 -0.542 558 2HA GLY 76 HA2 GLY 76 -11.115 -9.373 -1.843 559 H VAL 77 HN VAL 77 -8.341 -10.246 -2.632 560 HA VAL 77 HA VAL 77 -8.230 -12.523 -0.835 561 HB VAL 77 HB VAL 77 -7.978 -12.613 -3.393 562 1HG1 VAL 77 HG11 VAL 77 -5.755 -12.343 -4.290 563 2HG1 VAL 77 HG12 VAL 77 -5.145 -11.861 -2.707 564 3HG1 VAL 77 HG13 VAL 77 -6.293 -10.830 -3.561 565 1HG2 VAL 77 HG21 VAL 77 -7.627 -14.548 -1.985 566 2HG2 VAL 77 HG22 VAL 77 -5.999 -13.998 -1.583 567 3HG2 VAL 77 HG23 VAL 77 -6.380 -14.502 -3.231 568 H SER 78 HN SER 78 -6.346 -9.743 -1.743 569 HA SER 78 HA SER 78 -4.232 -10.417 0.137 570 1HB SER 78 HB2 SER 78 -4.330 -7.918 -1.540 571 2HB SER 78 HB1 SER 78 -2.919 -8.810 -0.979 572 HG SER 78 HG SER 78 -3.890 -8.994 -3.312 573 H ASN 79 HN ASN 79 -5.240 -10.077 2.151 574 HA ASN 79 HA ASN 79 -6.603 -7.591 2.680 575 1HB ASN 79 HB2 ASN 79 -6.902 -9.887 3.928 576 2HB ASN 79 HB1 ASN 79 -5.564 -9.294 4.907 577 1HD2 ASN 79 HD21 ASN 79 -6.192 -6.522 4.955 578 2HD2 ASN 79 HD22 ASN 79 -7.661 -6.327 5.840 579 H ILE 80 HN ILE 80 -5.762 -5.783 3.308 580 HA ILE 80 HA ILE 80 -2.879 -5.676 3.623 581 HB ILE 80 HB ILE 80 -4.818 -3.403 3.301 582 1HG1 ILE 80 HG11 ILE 80 -3.483 -3.875 0.869 583 2HG1 ILE 80 HG12 ILE 80 -4.082 -5.441 1.408 584 1HG2 ILE 80 HG21 ILE 80 -2.231 -3.045 2.131 585 2HG2 ILE 80 HG22 ILE 80 -2.089 -3.481 3.833 586 3HG2 ILE 80 HG23 ILE 80 -3.054 -2.084 3.358 587 1HD1 ILE 80 HD11 ILE 80 -6.269 -3.954 1.827 588 2HD1 ILE 80 HD12 ILE 80 -5.924 -4.783 0.309 589 3HD1 ILE 80 HD13 ILE 80 -5.550 -3.068 0.483 590 H GLU 81 HN GLU 81 -1.854 -4.528 5.228 591 HA GLU 81 HA GLU 81 -3.297 -4.238 7.740 592 1HB GLU 81 HB2 GLU 81 -0.990 -5.296 7.634 593 2HB GLU 81 HB1 GLU 81 -0.369 -3.713 7.188 594 1HG GLU 81 HG1 GLU 81 -0.407 -2.986 9.289 595 2HG GLU 81 HG2 GLU 81 -2.017 -3.643 9.580 596 H VAL 82 HN VAL 82 -4.573 -2.638 6.571 597 HA VAL 82 HA VAL 82 -3.352 -0.204 5.705 598 HB VAL 82 HB VAL 82 -6.269 -0.939 6.064 599 1HG1 VAL 82 HG21 VAL 82 -4.920 1.534 5.274 600 2HG1 VAL 82 HG22 VAL 82 -6.605 1.265 5.727 601 3HG1 VAL 82 HG23 VAL 82 -6.080 0.966 4.070 602 1HG2 VAL 82 HG11 VAL 82 -6.018 -1.012 3.470 603 2HG2 VAL 82 HG12 VAL 82 -5.559 -2.404 4.456 604 3HG2 VAL 82 HG13 VAL 82 -4.319 -1.306 3.843 605 H THR 83 HN THR 83 -2.473 -0.333 8.143 606 HA THR 83 HA THR 83 -4.024 1.684 9.594 607 HB THR 83 HB THR 83 -2.543 -0.444 11.107 608 HG1 THR 83 HG1 THR 83 -4.680 -0.886 9.580 609 1HG2 THR 83 HG21 THR 83 -3.622 1.753 12.067 610 2HG2 THR 83 HG22 THR 83 -3.696 0.222 12.941 611 3HG2 THR 83 HG23 THR 83 -5.088 0.773 12.008 612 H ASP 84 HN ASP 84 -1.233 1.088 8.003 613 HA ASP 84 HA ASP 84 0.576 2.181 9.995 614 1HB ASP 84 HB2 ASP 84 0.986 1.271 7.148 615 2HB ASP 84 HB1 ASP 84 2.266 1.959 8.143 616 H VAL 85 HN VAL 85 1.227 4.220 10.131 617 HA VAL 85 HA VAL 85 0.855 6.054 7.903 618 HB VAL 85 HB VAL 85 -1.234 6.031 9.398 619 1HG1 VAL 85 HG11 VAL 85 -1.194 6.831 11.511 620 2HG1 VAL 85 HG12 VAL 85 0.131 7.948 11.182 621 3HG1 VAL 85 HG13 VAL 85 0.467 6.238 11.455 622 1HG2 VAL 85 HG21 VAL 85 -0.774 7.749 7.730 623 2HG2 VAL 85 HG22 VAL 85 0.213 8.628 8.897 624 3HG2 VAL 85 HG23 VAL 85 -1.520 8.447 9.168 625 H ARG 86 HN ARG 86 2.216 7.845 7.970 626 HA ARG 86 HA ARG 86 3.903 8.257 10.281 627 1HB ARG 86 HB1 ARG 86 5.515 6.925 9.493 628 2HB ARG 86 HB2 ARG 86 4.728 6.777 7.935 629 1HG ARG 86 HG1 ARG 86 6.066 8.280 6.970 630 2HG ARG 86 HG2 ARG 86 6.049 9.340 8.379 631 1HD ARG 86 HD1 ARG 86 7.744 8.092 9.457 632 2HD ARG 86 HD2 ARG 86 7.565 6.748 8.331 633 HE ARG 86 HE ARG 86 8.371 8.581 6.650 634 1HH1 ARG 86 HH21 ARG 86 9.493 8.013 9.900 635 2HH1 ARG 86 HH22 ARG 86 11.092 8.599 9.588 636 1HH2 ARG 86 HH12 ARG 86 10.473 9.355 6.231 637 2HH2 ARG 86 HH11 ARG 86 11.650 9.363 7.503 638 H ARG 87 HN ARG 87 3.182 10.327 10.496 639 HA ARG 87 HA ARG 87 3.008 12.105 8.234 640 1HB ARG 87 HB2 ARG 87 2.567 12.523 11.192 641 2HB ARG 87 HB1 ARG 87 2.358 13.786 9.986 642 1HG ARG 87 HG2 ARG 87 0.210 13.040 10.208 643 2HG ARG 87 HG1 ARG 87 0.775 12.038 8.868 644 1HD ARG 87 HD1 ARG 87 0.521 10.167 10.027 645 2HD ARG 87 HD2 ARG 87 1.364 10.831 11.426 646 HE ARG 87 HE ARG 87 -0.664 11.188 12.400 647 1HH1 ARG 87 HH22 ARG 87 -1.129 10.930 8.956 648 2HH1 ARG 87 HH21 ARG 87 -2.856 11.007 9.054 649 1HH2 ARG 87 HH11 ARG 87 -2.938 11.290 12.538 650 2HH2 ARG 87 HH12 ARG 87 -3.885 11.211 11.089 651 H LEU 88 HN LEU 88 4.817 12.948 7.403 652 HA LEU 88 HA LEU 88 7.156 13.417 9.050 653 1HB LEU 88 HB1 LEU 88 6.534 13.457 6.162 654 2HB LEU 88 HB2 LEU 88 7.738 14.614 6.690 655 HG LEU 88 HG LEU 88 9.068 12.769 7.647 656 1HD1 LEU 88 HD21 LEU 88 7.699 11.019 8.187 657 2HD1 LEU 88 HD22 LEU 88 8.297 10.462 6.623 658 3HD1 LEU 88 HD23 LEU 88 6.701 11.208 6.744 659 1HD2 LEU 88 HD11 LEU 88 9.766 13.415 5.530 660 2HD2 LEU 88 HD12 LEU 88 8.301 12.807 4.759 661 3HD2 LEU 88 HD13 LEU 88 9.519 11.675 5.350 662 H MET 89 HN MET 89 6.128 14.955 10.487 663 HA MET 89 HA MET 89 5.468 17.556 9.340 664 1HB MET 89 HB2 MET 89 5.365 16.767 12.250 665 2HB MET 89 HB1 MET 89 4.557 18.122 11.476 666 1HG MET 89 HG1 MET 89 2.855 16.859 10.727 667 2HG MET 89 HG2 MET 89 3.882 15.460 10.419 668 1HE MET 89 HE1 MET 89 5.269 14.645 12.387 669 2HE MET 89 HE2 MET 89 4.202 13.436 13.103 670 3HE MET 89 HE3 MET 89 4.814 14.766 14.087
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