NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
479525 | 2km6 | 16263 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 3 HT1 MET 3 17.327 2.727 -3.551 2 HA MET 3 HA MET 3 15.158 2.594 -4.419 3 HB2 MET 3 HB2 MET 3 15.757 4.607 -3.123 4 HB3 MET 3 HB1 MET 3 16.221 5.424 -4.607 5 HG2 MET 3 HG2 MET 3 13.885 5.187 -5.407 6 HG3 MET 3 HG1 MET 3 13.455 4.526 -3.832 7 HE1 MET 3 HE1 MET 3 13.683 5.908 -1.539 8 HE2 MET 3 HE2 MET 3 14.269 7.571 -1.478 9 HE3 MET 3 HE3 MET 3 15.365 6.269 -1.932 10 H THR 4 HN THR 4 13.804 2.638 -6.162 11 HA THR 4 HA THR 4 14.990 3.441 -8.713 12 HB THR 4 HB THR 4 13.415 1.625 -9.601 13 HG1 THR 4 HG1 THR 4 13.625 0.539 -7.014 14 HG21 THR 4 HG21 THR 4 15.019 -0.194 -9.101 15 HG22 THR 4 HG22 THR 4 15.742 0.812 -7.843 16 HG23 THR 4 HG23 THR 4 15.851 1.301 -9.526 17 H SER 5 HN SER 5 13.062 3.682 -10.359 18 HA SER 5 HA SER 5 10.873 5.010 -8.982 19 HB2 SER 5 HB2 SER 5 11.746 5.424 -11.868 20 HB3 SER 5 HB1 SER 5 10.424 6.260 -11.063 21 HG SER 5 HG SER 5 11.975 7.013 -9.540 22 HA PRO 6 HA PRO 6 8.539 2.180 -12.132 23 HB2 PRO 6 HB2 PRO 6 10.530 0.129 -12.882 24 HB3 PRO 6 HB1 PRO 6 9.381 0.993 -13.910 25 HG2 PRO 6 HG2 PRO 6 11.992 1.529 -14.033 26 HG3 PRO 6 HG1 PRO 6 10.784 2.825 -14.157 27 HD2 PRO 6 HD2 PRO 6 12.419 1.981 -11.796 28 HD3 PRO 6 HD1 PRO 6 12.109 3.617 -12.412 29 H GLN 7 HN GLN 7 11.205 0.367 -10.627 30 HA GLN 7 HA GLN 7 9.666 -1.759 -9.718 31 HB2 GLN 7 HB2 GLN 7 12.347 -0.746 -8.784 32 HB3 GLN 7 HB1 GLN 7 11.602 -2.189 -8.126 33 HG2 GLN 7 HG2 GLN 7 13.246 -2.803 -9.782 34 HG3 GLN 7 HG1 GLN 7 11.636 -3.201 -10.367 35 HE21 GLN 7 HE21 GLN 7 12.386 -3.243 -12.477 36 HE22 GLN 7 HE22 GLN 7 12.752 -1.815 -13.364 37 H LEU 8 HN LEU 8 10.225 1.360 -8.425 38 HA LEU 8 HA LEU 8 9.628 1.074 -5.723 39 HB2 LEU 8 HB2 LEU 8 10.518 3.095 -6.918 40 HB3 LEU 8 HB1 LEU 8 8.936 3.396 -7.569 41 HG LEU 8 HG LEU 8 9.499 4.934 -5.771 42 HD11 LEU 8 HD11 LEU 8 7.317 3.075 -4.876 43 HD12 LEU 8 HD12 LEU 8 7.150 4.409 -6.008 44 HD13 LEU 8 HD13 LEU 8 7.565 4.733 -4.322 45 HD21 LEU 8 HD21 LEU 8 11.053 3.558 -4.547 46 HD22 LEU 8 HD22 LEU 8 9.746 2.500 -4.020 47 HD23 LEU 8 HD23 LEU 8 9.805 4.175 -3.469 48 H GLU 9 HN GLU 9 7.411 2.057 -8.334 49 HA GLU 9 HA GLU 9 5.092 1.749 -6.682 50 HB2 GLU 9 HB2 GLU 9 5.313 3.372 -8.560 51 HB3 GLU 9 HB1 GLU 9 5.233 2.024 -9.690 52 HG2 GLU 9 HG2 GLU 9 2.998 1.464 -8.683 53 HG3 GLU 9 HG1 GLU 9 3.090 2.991 -7.817 54 H TRP 10 HN TRP 10 6.800 -0.206 -8.977 55 HA TRP 10 HA TRP 10 4.888 -2.179 -9.445 56 HB2 TRP 10 HB2 TRP 10 6.722 -2.195 -10.918 57 HB3 TRP 10 HB1 TRP 10 7.868 -2.116 -9.591 58 HD1 TRP 10 HD1 TRP 10 5.705 -4.671 -11.514 59 HE1 TRP 10 HE1 TRP 10 6.622 -7.023 -11.017 60 HE3 TRP 10 HE3 TRP 10 9.151 -3.482 -7.947 61 HZ2 TRP 10 HZ2 TRP 10 8.556 -8.217 -9.336 62 HZ3 TRP 10 HZ3 TRP 10 10.483 -5.276 -6.944 63 HH2 TRP 10 HH2 TRP 10 10.207 -7.556 -7.590 64 H THR 11 HN THR 11 7.255 -1.854 -6.818 65 HA THR 11 HA THR 11 6.871 -4.437 -5.791 66 HB THR 11 HB THR 11 7.608 -1.981 -4.169 67 HG1 THR 11 HG1 THR 11 9.064 -2.299 -5.951 68 HG21 THR 11 HG21 THR 11 8.169 -4.923 -3.738 69 HG22 THR 11 HG22 THR 11 7.000 -3.960 -2.838 70 HG23 THR 11 HG23 THR 11 8.721 -3.608 -2.698 71 H LEU 12 HN LEU 12 5.211 -1.424 -5.180 72 HA LEU 12 HA LEU 12 3.515 -2.226 -3.130 73 HB2 LEU 12 HB2 LEU 12 3.197 -0.293 -5.369 74 HB3 LEU 12 HB1 LEU 12 1.979 -0.468 -4.102 75 HG LEU 12 HG LEU 12 4.839 0.417 -3.663 76 HD11 LEU 12 HD11 LEU 12 2.258 1.990 -3.713 77 HD12 LEU 12 HD12 LEU 12 3.536 2.070 -4.924 78 HD13 LEU 12 HD13 LEU 12 3.844 2.628 -3.280 79 HD21 LEU 12 HD21 LEU 12 4.013 1.009 -1.433 80 HD22 LEU 12 HD22 LEU 12 3.866 -0.717 -1.734 81 HD23 LEU 12 HD23 LEU 12 2.440 0.319 -1.830 82 H GLN 13 HN GLN 13 2.946 -2.194 -6.662 83 HA GLN 13 HA GLN 13 0.391 -3.354 -6.476 84 HB2 GLN 13 HB2 GLN 13 0.431 -3.709 -8.884 85 HB3 GLN 13 HB1 GLN 13 1.228 -2.181 -8.537 86 HG2 GLN 13 HG2 GLN 13 3.380 -3.149 -8.858 87 HG3 GLN 13 HG1 GLN 13 2.688 -4.746 -9.045 88 HE21 GLN 13 HE21 GLN 13 0.505 -3.918 -10.676 89 HE22 GLN 13 HE22 GLN 13 1.121 -3.508 -12.227 90 H THR 14 HN THR 14 3.560 -4.801 -6.781 91 HA THR 14 HA THR 14 2.755 -7.417 -7.329 92 HB THR 14 HB THR 14 5.236 -6.408 -5.934 93 HG1 THR 14 HG1 THR 14 5.276 -5.587 -7.945 94 HG21 THR 14 HG21 THR 14 4.718 -9.037 -7.331 95 HG22 THR 14 HG22 THR 14 4.957 -8.832 -5.589 96 HG23 THR 14 HG23 THR 14 6.275 -8.486 -6.719 97 H LEU 15 HN LEU 15 3.141 -5.788 -4.242 98 HA LEU 15 HA LEU 15 2.644 -8.100 -2.647 99 HB2 LEU 15 HB2 LEU 15 2.218 -5.179 -2.078 100 HB3 LEU 15 HB1 LEU 15 2.224 -6.445 -0.871 101 HG LEU 15 HG LEU 15 4.623 -5.840 -2.589 102 HD11 LEU 15 HD11 LEU 15 4.052 -3.843 -1.296 103 HD12 LEU 15 HD12 LEU 15 5.507 -4.627 -0.664 104 HD13 LEU 15 HD13 LEU 15 3.969 -4.824 0.173 105 HD21 LEU 15 HD21 LEU 15 4.313 -7.313 0.039 106 HD22 LEU 15 HD22 LEU 15 5.815 -7.046 -0.821 107 HD23 LEU 15 HD23 LEU 15 4.566 -8.060 -1.534 108 H LEU 16 HN LEU 16 0.706 -5.450 -3.872 109 HA LEU 16 HA LEU 16 -1.688 -6.384 -2.686 110 HB2 LEU 16 HB2 LEU 16 -0.980 -4.082 -4.432 111 HB3 LEU 16 HB1 LEU 16 -2.659 -4.510 -4.224 112 HG LEU 16 HG LEU 16 -2.471 -4.171 -1.815 113 HD11 LEU 16 HD11 LEU 16 0.322 -3.268 -2.391 114 HD12 LEU 16 HD12 LEU 16 -0.176 -4.705 -1.485 115 HD13 LEU 16 HD13 LEU 16 -0.540 -3.082 -0.852 116 HD21 LEU 16 HD21 LEU 16 -3.196 -2.421 -3.216 117 HD22 LEU 16 HD22 LEU 16 -1.540 -1.888 -3.496 118 HD23 LEU 16 HD23 LEU 16 -2.258 -1.748 -1.877 119 H GLU 17 HN GLU 17 -0.116 -7.348 -5.463 120 HA GLU 17 HA GLU 17 -2.595 -8.264 -6.657 121 HB2 GLU 17 HB2 GLU 17 0.251 -8.390 -7.628 122 HB3 GLU 17 HB1 GLU 17 -1.055 -9.224 -8.466 123 HG2 GLU 17 HG2 GLU 17 -2.220 -7.035 -8.737 124 HG3 GLU 17 HG1 GLU 17 -0.827 -6.242 -8.013 125 H GLN 18 HN GLN 18 -0.294 -9.234 -4.497 126 HA GLN 18 HA GLN 18 -0.873 -12.061 -4.781 127 HB2 GLN 18 HB2 GLN 18 0.860 -10.480 -2.877 128 HB3 GLN 18 HB1 GLN 18 0.577 -12.206 -2.676 129 HG2 GLN 18 HG2 GLN 18 1.649 -12.686 -4.761 130 HG3 GLN 18 HG1 GLN 18 1.742 -10.975 -5.161 131 HE21 GLN 18 HE21 GLN 18 3.247 -9.747 -4.223 132 HE22 GLN 18 HE22 GLN 18 4.621 -10.365 -3.334 133 H LEU 19 HN LEU 19 -1.584 -9.332 -2.684 134 HA LEU 19 HA LEU 19 -3.652 -10.941 -1.328 135 HB2 LEU 19 HB2 LEU 19 -3.356 -9.579 0.578 136 HB3 LEU 19 HB1 LEU 19 -1.728 -9.718 -0.063 137 HG LEU 19 HG LEU 19 -2.611 -7.471 -1.280 138 HD11 LEU 19 HD11 LEU 19 -3.907 -7.416 1.410 139 HD12 LEU 19 HD12 LEU 19 -4.655 -7.370 -0.190 140 HD13 LEU 19 HD13 LEU 19 -3.647 -6.023 0.342 141 HD21 LEU 19 HD21 LEU 19 -0.471 -7.697 -0.213 142 HD22 LEU 19 HD22 LEU 19 -1.220 -7.521 1.397 143 HD23 LEU 19 HD23 LEU 19 -1.282 -6.198 0.201 144 H ASN 20 HN ASN 20 -5.708 -10.430 -2.096 145 HA ASN 20 HA ASN 20 -6.506 -7.773 -2.359 146 HB2 ASN 20 HB2 ASN 20 -7.097 -7.709 -4.841 147 HB3 ASN 20 HB1 ASN 20 -5.402 -7.544 -4.405 148 HD21 ASN 20 HD21 ASN 20 -4.057 -9.208 -4.706 149 HD22 ASN 20 HD22 ASN 20 -4.342 -10.482 -5.869 150 H GLU 21 HN GLU 21 -7.385 -10.966 -3.657 151 HA GLU 21 HA GLU 21 -9.878 -10.868 -4.400 152 HB2 GLU 21 HB2 GLU 21 -8.783 -12.857 -2.472 153 HB3 GLU 21 HB1 GLU 21 -10.245 -13.122 -3.447 154 HG2 GLU 21 HG2 GLU 21 -8.907 -12.751 -5.411 155 HG3 GLU 21 HG1 GLU 21 -7.473 -12.607 -4.388 156 H ASP 22 HN ASP 22 -9.624 -11.821 -0.948 157 HA ASP 22 HA ASP 22 -11.793 -9.974 -0.702 158 HB2 ASP 22 HB2 ASP 22 -12.318 -12.427 -0.259 159 HB3 ASP 22 HB1 ASP 22 -11.304 -12.292 1.178 160 H GLU 23 HN GLU 23 -8.910 -10.064 -0.450 161 HA GLU 23 HA GLU 23 -8.087 -9.792 2.332 162 HB2 GLU 23 HB2 GLU 23 -6.260 -9.178 0.091 163 HB3 GLU 23 HB1 GLU 23 -5.931 -10.071 1.560 164 HG2 GLU 23 HG2 GLU 23 -7.443 -11.006 -0.851 165 HG3 GLU 23 HG1 GLU 23 -5.811 -11.519 -0.427 166 H LEU 24 HN LEU 24 -8.419 -7.846 -0.561 167 HA LEU 24 HA LEU 24 -6.976 -5.596 0.395 168 HB2 LEU 24 HB2 LEU 24 -7.780 -6.409 -2.034 169 HB3 LEU 24 HB1 LEU 24 -9.059 -5.289 -1.657 170 HG LEU 24 HG LEU 24 -7.337 -3.551 -1.226 171 HD11 LEU 24 HD11 LEU 24 -5.408 -4.961 -0.815 172 HD12 LEU 24 HD12 LEU 24 -5.100 -3.928 -2.211 173 HD13 LEU 24 HD13 LEU 24 -5.513 -5.621 -2.445 174 HD21 LEU 24 HD21 LEU 24 -7.507 -4.819 -3.929 175 HD22 LEU 24 HD22 LEU 24 -6.886 -3.195 -3.616 176 HD23 LEU 24 HD23 LEU 24 -8.574 -3.576 -3.271 177 H LYS 25 HN LYS 25 -10.213 -6.691 0.492 178 HA LYS 25 HA LYS 25 -11.632 -4.354 1.052 179 HB2 LYS 25 HB2 LYS 25 -12.122 -7.188 1.962 180 HB3 LYS 25 HB1 LYS 25 -13.327 -5.906 1.893 181 HG2 LYS 25 HG2 LYS 25 -13.303 -5.864 -0.461 182 HG3 LYS 25 HG1 LYS 25 -11.819 -6.814 -0.544 183 HD2 LYS 25 HD2 LYS 25 -12.928 -8.710 0.327 184 HD3 LYS 25 HD1 LYS 25 -14.453 -7.818 0.527 185 HE2 LYS 25 HE2 LYS 25 -14.457 -7.488 -1.953 186 HE3 LYS 25 HE1 LYS 25 -13.007 -8.484 -2.045 187 HZ1 LYS 25 HZ1 LYS 25 -15.717 -9.325 -1.194 188 HZ2 LYS 25 HZ2 LYS 25 -14.380 -10.233 -0.871 189 HZ3 LYS 25 HZ3 LYS 25 -14.815 -9.941 -2.491 190 H SER 26 HN SER 26 -9.968 -6.709 3.159 191 HA SER 26 HA SER 26 -10.494 -5.607 5.622 192 HB2 SER 26 HB2 SER 26 -8.244 -7.162 4.450 193 HB3 SER 26 HB1 SER 26 -8.580 -7.019 6.156 194 HG SER 26 HG SER 26 -9.451 -8.946 5.205 195 H PHE 27 HN PHE 27 -7.743 -5.479 3.438 196 HA PHE 27 HA PHE 27 -5.897 -3.936 4.731 197 HB2 PHE 27 HB2 PHE 27 -5.588 -5.199 2.665 198 HB3 PHE 27 HB1 PHE 27 -6.605 -4.061 1.816 199 HD1 PHE 27 HD2 PHE 27 -5.620 -1.558 1.775 200 HD2 PHE 27 HD1 PHE 27 -3.309 -5.038 2.608 201 HE1 PHE 27 HE2 PHE 27 -3.567 -0.337 1.179 202 HE2 PHE 27 HE1 PHE 27 -1.257 -3.822 2.008 203 HZ PHE 27 HZ PHE 27 -1.384 -1.470 1.294 204 H LYS 28 HN LYS 28 -8.483 -2.780 2.566 205 HA LYS 28 HA LYS 28 -7.876 -0.029 2.646 206 HB2 LYS 28 HB2 LYS 28 -10.582 -1.318 2.249 207 HB3 LYS 28 HB1 LYS 28 -10.164 0.331 1.820 208 HG2 LYS 28 HG2 LYS 28 -8.642 -0.444 0.127 209 HG3 LYS 28 HG1 LYS 28 -8.885 -2.116 0.631 210 HD2 LYS 28 HD2 LYS 28 -11.320 -1.816 0.078 211 HD3 LYS 28 HD1 LYS 28 -10.890 -0.271 -0.658 212 HE2 LYS 28 HE2 LYS 28 -9.333 -1.429 -2.157 213 HE3 LYS 28 HE1 LYS 28 -9.780 -2.965 -1.425 214 HZ1 LYS 28 HZ1 LYS 28 -12.068 -2.597 -2.232 215 HZ2 LYS 28 HZ2 LYS 28 -10.937 -2.664 -3.463 216 HZ3 LYS 28 HZ3 LYS 28 -11.554 -1.178 -3.006 217 H SER 29 HN SER 29 -9.783 -2.056 4.747 218 HA SER 29 HA SER 29 -11.067 0.087 6.119 219 HB2 SER 29 HB2 SER 29 -11.884 -2.359 5.819 220 HB3 SER 29 HB1 SER 29 -10.735 -2.742 7.073 221 HG SER 29 HG SER 29 -12.545 -2.394 8.153 222 H LEU 30 HN LEU 30 -8.271 -1.937 6.613 223 HA LEU 30 HA LEU 30 -7.604 -1.107 9.256 224 HB2 LEU 30 HB2 LEU 30 -5.984 -2.282 7.023 225 HB3 LEU 30 HB1 LEU 30 -5.410 -2.146 8.674 226 HG LEU 30 HG LEU 30 -7.905 -3.662 7.938 227 HD11 LEU 30 HD11 LEU 30 -6.059 -4.582 6.740 228 HD12 LEU 30 HD12 LEU 30 -6.606 -5.671 8.009 229 HD13 LEU 30 HD13 LEU 30 -5.110 -4.727 8.226 230 HD21 LEU 30 HD21 LEU 30 -7.708 -3.004 10.270 231 HD22 LEU 30 HD22 LEU 30 -6.106 -3.733 10.353 232 HD23 LEU 30 HD23 LEU 30 -7.525 -4.746 10.087 233 H LEU 31 HN LEU 31 -6.776 -0.107 6.065 234 HA LEU 31 HA LEU 31 -4.921 1.912 6.654 235 HB2 LEU 31 HB2 LEU 31 -4.846 1.306 4.498 236 HB3 LEU 31 HB1 LEU 31 -6.537 0.958 4.377 237 HG LEU 31 HG LEU 31 -6.743 3.593 4.328 238 HD11 LEU 31 HD11 LEU 31 -4.856 4.701 3.264 239 HD12 LEU 31 HD12 LEU 31 -3.881 3.249 3.508 240 HD13 LEU 31 HD13 LEU 31 -4.503 4.146 4.896 241 HD21 LEU 31 HD21 LEU 31 -6.472 3.580 1.883 242 HD22 LEU 31 HD22 LEU 31 -7.388 2.210 2.499 243 HD23 LEU 31 HD23 LEU 31 -5.706 1.990 2.002 244 H TRP 32 HN TRP 32 -8.415 1.826 6.645 245 HA TRP 32 HA TRP 32 -8.567 4.682 6.955 246 HB2 TRP 32 HB2 TRP 32 -10.227 2.809 5.895 247 HB3 TRP 32 HB1 TRP 32 -11.015 3.138 7.446 248 HD1 TRP 32 HD1 TRP 32 -12.551 5.247 7.450 249 HE1 TRP 32 HE1 TRP 32 -12.862 7.263 5.865 250 HE3 TRP 32 HE3 TRP 32 -8.743 4.311 4.294 251 HZ2 TRP 32 HZ2 TRP 32 -11.597 8.329 3.562 252 HZ3 TRP 32 HZ3 TRP 32 -8.304 5.874 2.386 253 HH2 TRP 32 HH2 TRP 32 -9.723 7.839 2.043 254 H ALA 33 HN ALA 33 -7.684 2.318 8.947 255 HA ALA 33 HA ALA 33 -9.167 3.243 11.298 256 HB1 ALA 33 HB1 ALA 33 -9.196 0.825 10.876 257 HB2 ALA 33 HB2 ALA 33 -8.413 1.218 12.407 258 HB3 ALA 33 HB3 ALA 33 -7.439 0.791 11.002 259 H PHE 34 HN PHE 34 -6.068 3.500 9.797 260 HA PHE 34 HA PHE 34 -4.883 4.211 12.332 261 HB2 PHE 34 HB2 PHE 34 -2.736 4.047 11.243 262 HB3 PHE 34 HB1 PHE 34 -3.691 2.718 10.624 263 HD1 PHE 34 HD2 PHE 34 -2.615 6.169 9.720 264 HD2 PHE 34 HD1 PHE 34 -3.800 2.315 8.407 265 HE1 PHE 34 HE2 PHE 34 -2.072 6.798 7.420 266 HE2 PHE 34 HE1 PHE 34 -3.238 2.944 6.094 267 HZ PHE 34 HZ PHE 34 -2.408 5.183 5.600 268 HA PRO 35 HA PRO 35 -5.506 8.521 11.664 269 HB2 PRO 35 HB2 PRO 35 -3.101 9.636 12.350 270 HB3 PRO 35 HB1 PRO 35 -4.294 9.083 13.526 271 HG2 PRO 35 HG2 PRO 35 -1.839 7.704 12.530 272 HG3 PRO 35 HG1 PRO 35 -2.483 7.781 14.180 273 HD2 PRO 35 HD2 PRO 35 -2.803 5.613 12.622 274 HD3 PRO 35 HD1 PRO 35 -4.052 6.125 13.772 275 H LEU 36 HN LEU 36 -5.796 9.057 9.673 276 HA LEU 36 HA LEU 36 -3.800 8.820 7.639 277 HB2 LEU 36 HB2 LEU 36 -6.443 10.140 7.677 278 HB3 LEU 36 HB1 LEU 36 -5.532 9.836 6.214 279 HG LEU 36 HG LEU 36 -6.782 7.743 8.015 280 HD11 LEU 36 HD11 LEU 36 -8.372 8.832 6.536 281 HD12 LEU 36 HD12 LEU 36 -8.050 7.152 6.044 282 HD13 LEU 36 HD13 LEU 36 -7.300 8.481 5.168 283 HD21 LEU 36 HD21 LEU 36 -4.656 6.954 7.225 284 HD22 LEU 36 HD22 LEU 36 -5.083 7.374 5.562 285 HD23 LEU 36 HD23 LEU 36 -5.966 6.104 6.414 286 H GLU 37 HN GLU 37 -2.334 10.222 7.254 287 HA GLU 37 HA GLU 37 -2.354 12.709 8.705 288 HB2 GLU 37 HB2 GLU 37 -0.197 11.379 7.114 289 HB3 GLU 37 HB1 GLU 37 -0.006 12.752 8.203 290 HG2 GLU 37 HG2 GLU 37 -0.743 11.387 10.073 291 HG3 GLU 37 HG1 GLU 37 -0.975 10.032 8.977 292 H ASP 38 HN ASP 38 -2.947 14.484 7.842 293 HA ASP 38 HA ASP 38 -3.508 16.135 6.458 294 HB2 ASP 38 HB2 ASP 38 -1.174 16.573 6.790 295 HB3 ASP 38 HB1 ASP 38 -0.741 15.556 5.434 296 H VAL 39 HN VAL 39 -1.720 14.479 3.864 297 HA VAL 39 HA VAL 39 -3.917 15.089 2.117 298 HB VAL 39 HB VAL 39 -1.526 15.188 1.345 299 HG11 VAL 39 HG11 VAL 39 -0.383 13.141 0.646 300 HG12 VAL 39 HG12 VAL 39 -1.695 12.194 1.350 301 HG13 VAL 39 HG13 VAL 39 -0.670 13.165 2.390 302 HG21 VAL 39 HG21 VAL 39 -3.392 13.427 -0.229 303 HG22 VAL 39 HG22 VAL 39 -1.951 14.192 -0.885 304 HG23 VAL 39 HG23 VAL 39 -3.286 15.186 -0.297 305 H LEU 40 HN LEU 40 -2.868 12.353 3.935 306 HA LEU 40 HA LEU 40 -4.335 10.384 2.486 307 HB2 LEU 40 HB2 LEU 40 -3.317 10.391 5.318 308 HB3 LEU 40 HB1 LEU 40 -4.212 9.048 4.645 309 HG LEU 40 HG LEU 40 -1.955 8.459 4.647 310 HD11 LEU 40 HD11 LEU 40 -1.422 8.093 2.312 311 HD12 LEU 40 HD12 LEU 40 -2.667 9.255 1.850 312 HD13 LEU 40 HD13 LEU 40 -3.116 7.767 2.684 313 HD21 LEU 40 HD21 LEU 40 -1.338 11.048 3.248 314 HD22 LEU 40 HD22 LEU 40 -0.178 9.763 3.593 315 HD23 LEU 40 HD23 LEU 40 -0.946 10.639 4.918 316 H GLN 41 HN GLN 41 -5.215 12.821 4.617 317 HA GLN 41 HA GLN 41 -7.541 11.654 5.766 318 HB2 GLN 41 HB2 GLN 41 -6.077 13.789 6.396 319 HB3 GLN 41 HB1 GLN 41 -7.214 14.616 5.359 320 HG2 GLN 41 HG2 GLN 41 -8.006 12.994 7.779 321 HG3 GLN 41 HG1 GLN 41 -7.699 14.719 7.809 322 HE21 GLN 41 HE21 GLN 41 -9.018 15.276 5.295 323 HE22 GLN 41 HE22 GLN 41 -10.704 15.043 5.579 324 H LYS 42 HN LYS 42 -6.788 13.126 2.688 325 HA LYS 42 HA LYS 42 -9.647 13.261 2.046 326 HB2 LYS 42 HB2 LYS 42 -9.102 14.767 0.236 327 HB3 LYS 42 HB1 LYS 42 -8.450 15.388 1.744 328 HG2 LYS 42 HG2 LYS 42 -6.241 14.872 1.145 329 HG3 LYS 42 HG1 LYS 42 -6.756 13.797 -0.149 330 HD2 LYS 42 HD2 LYS 42 -7.079 16.804 -0.114 331 HD3 LYS 42 HD1 LYS 42 -5.862 15.909 -1.026 332 HE2 LYS 42 HE2 LYS 42 -7.787 14.701 -2.165 333 HE3 LYS 42 HE1 LYS 42 -8.855 15.868 -1.403 334 HZ1 LYS 42 HZ1 LYS 42 -8.380 16.607 -3.583 335 HZ2 LYS 42 HZ2 LYS 42 -6.737 16.393 -3.376 336 HZ3 LYS 42 HZ3 LYS 42 -7.520 17.638 -2.543 337 H THR 43 HN THR 43 -7.490 10.948 1.906 338 HA THR 43 HA THR 43 -6.959 10.186 -0.647 339 HB THR 43 HB THR 43 -7.755 8.374 1.656 340 HG1 THR 43 HG1 THR 43 -6.004 9.132 2.405 341 HG21 THR 43 HG21 THR 43 -6.436 6.644 0.510 342 HG22 THR 43 HG22 THR 43 -6.142 7.755 -0.830 343 HG23 THR 43 HG23 THR 43 -7.775 7.181 -0.509 344 HA PRO 44 HA PRO 44 -10.993 9.846 -2.368 345 HB2 PRO 44 HB2 PRO 44 -10.201 8.692 -4.752 346 HB3 PRO 44 HB1 PRO 44 -10.188 10.425 -4.416 347 HG2 PRO 44 HG2 PRO 44 -7.945 8.477 -4.372 348 HG3 PRO 44 HG1 PRO 44 -7.947 10.176 -4.869 349 HD2 PRO 44 HD2 PRO 44 -6.967 9.311 -2.498 350 HD3 PRO 44 HD1 PRO 44 -7.652 10.925 -2.683 351 H TRP 45 HN TRP 45 -11.917 8.352 -1.035 352 HA TRP 45 HA TRP 45 -11.313 5.599 -1.119 353 HB2 TRP 45 HB2 TRP 45 -12.372 6.586 0.888 354 HB3 TRP 45 HB1 TRP 45 -13.792 7.025 -0.046 355 HD1 TRP 45 HD1 TRP 45 -15.351 4.949 -0.883 356 HE1 TRP 45 HE1 TRP 45 -15.810 2.668 0.156 357 HE3 TRP 45 HE3 TRP 45 -11.391 4.733 2.327 358 HZ2 TRP 45 HZ2 TRP 45 -14.666 0.983 2.106 359 HZ3 TRP 45 HZ3 TRP 45 -11.149 2.742 3.754 360 HH2 TRP 45 HH2 TRP 45 -12.751 0.906 3.647 361 H SER 46 HN SER 46 -13.412 7.715 -2.845 362 HA SER 46 HA SER 46 -15.064 5.897 -4.131 363 HB2 SER 46 HB2 SER 46 -15.354 8.355 -4.266 364 HB3 SER 46 HB1 SER 46 -13.900 8.471 -5.250 365 HG SER 46 HG SER 46 -16.316 7.146 -5.899 366 H GLU 47 HN GLU 47 -11.678 6.719 -4.818 367 HA GLU 47 HA GLU 47 -11.709 4.958 -7.071 368 HB2 GLU 47 HB2 GLU 47 -9.411 6.302 -5.666 369 HB3 GLU 47 HB1 GLU 47 -9.177 5.117 -6.932 370 HG2 GLU 47 HG2 GLU 47 -10.738 6.705 -8.297 371 HG3 GLU 47 HG1 GLU 47 -10.208 7.897 -7.105 372 H VAL 48 HN VAL 48 -10.495 4.863 -3.745 373 HA VAL 48 HA VAL 48 -9.217 2.430 -3.951 374 HB VAL 48 HB VAL 48 -8.966 2.295 -1.665 375 HG11 VAL 48 HG11 VAL 48 -9.363 5.175 -2.172 376 HG12 VAL 48 HG12 VAL 48 -7.892 4.205 -2.349 377 HG13 VAL 48 HG13 VAL 48 -8.580 4.497 -0.746 378 HG21 VAL 48 HG21 VAL 48 -11.596 3.687 -1.271 379 HG22 VAL 48 HG22 VAL 48 -10.441 3.414 0.030 380 HG23 VAL 48 HG23 VAL 48 -11.145 2.045 -0.828 381 H GLU 49 HN GLU 49 -12.635 3.086 -3.453 382 HA GLU 49 HA GLU 49 -13.630 0.750 -2.549 383 HB2 GLU 49 HB2 GLU 49 -14.586 3.038 -3.960 384 HB3 GLU 49 HB1 GLU 49 -15.440 1.592 -4.510 385 HG2 GLU 49 HG2 GLU 49 -15.881 1.169 -2.071 386 HG3 GLU 49 HG1 GLU 49 -15.184 2.755 -1.762 387 H GLU 50 HN GLU 50 -13.416 1.645 -5.961 388 HA GLU 50 HA GLU 50 -13.972 -1.069 -6.736 389 HB2 GLU 50 HB2 GLU 50 -13.404 1.355 -8.440 390 HB3 GLU 50 HB1 GLU 50 -14.030 -0.185 -9.017 391 HG2 GLU 50 HG2 GLU 50 -16.029 0.107 -7.656 392 HG3 GLU 50 HG1 GLU 50 -15.407 1.643 -7.065 393 H ALA 51 HN ALA 51 -11.260 0.852 -6.192 394 HA ALA 51 HA ALA 51 -9.378 -0.283 -7.969 395 HB1 ALA 51 HB1 ALA 51 -8.986 1.823 -6.795 396 HB2 ALA 51 HB2 ALA 51 -7.698 0.644 -6.486 397 HB3 ALA 51 HB3 ALA 51 -8.936 0.938 -5.276 398 H ASP 52 HN ASP 52 -8.298 -1.998 -7.970 399 HA ASP 52 HA ASP 52 -8.108 -3.544 -5.531 400 HB2 ASP 52 HB2 ASP 52 -8.478 -5.614 -6.666 401 HB3 ASP 52 HB1 ASP 52 -9.833 -4.565 -7.044 402 H GLY 53 HN GLY 53 -6.209 -4.539 -5.253 403 HA2 GLY 53 HA2 GLY 53 -3.991 -4.923 -5.371 404 HA3 GLY 53 HA1 GLY 53 -4.365 -5.313 -7.028 405 H LYS 54 HN LYS 54 -3.693 -4.079 -8.635 406 HA LYS 54 HA LYS 54 -1.496 -2.357 -8.323 407 HB2 LYS 54 HB2 LYS 54 -2.198 -3.607 -10.440 408 HB3 LYS 54 HB1 LYS 54 -3.345 -2.304 -10.707 409 HG2 LYS 54 HG2 LYS 54 -0.774 -1.178 -10.188 410 HG3 LYS 54 HG1 LYS 54 -0.615 -2.424 -11.402 411 HD2 LYS 54 HD2 LYS 54 -0.940 -0.425 -12.617 412 HD3 LYS 54 HD1 LYS 54 -2.506 -1.231 -12.649 413 HE2 LYS 54 HE2 LYS 54 -3.359 0.220 -10.963 414 HE3 LYS 54 HE1 LYS 54 -1.754 0.879 -10.652 415 HZ1 LYS 54 HZ1 LYS 54 -3.276 1.240 -13.197 416 HZ2 LYS 54 HZ2 LYS 54 -1.755 1.843 -12.851 417 HZ3 LYS 54 HZ3 LYS 54 -3.076 2.426 -12.000 418 H LYS 55 HN LYS 55 -4.892 -1.722 -8.903 419 HA LYS 55 HA LYS 55 -4.557 0.979 -9.268 420 HB2 LYS 55 HB2 LYS 55 -6.895 -0.725 -8.758 421 HB3 LYS 55 HB1 LYS 55 -7.109 0.983 -8.414 422 HG2 LYS 55 HG2 LYS 55 -6.087 -0.096 -10.996 423 HG3 LYS 55 HG1 LYS 55 -7.805 0.237 -10.715 424 HD2 LYS 55 HD2 LYS 55 -5.535 2.260 -10.598 425 HD3 LYS 55 HD1 LYS 55 -6.647 2.058 -11.943 426 HE2 LYS 55 HE2 LYS 55 -8.525 2.681 -10.450 427 HE3 LYS 55 HE1 LYS 55 -7.378 2.925 -9.135 428 HZ1 LYS 55 HZ1 LYS 55 -6.284 4.624 -10.509 429 HZ2 LYS 55 HZ2 LYS 55 -7.834 5.054 -10.108 430 HZ3 LYS 55 HZ3 LYS 55 -7.493 4.502 -11.671 431 H LEU 56 HN LEU 56 -5.074 -0.912 -6.363 432 HA LEU 56 HA LEU 56 -5.629 1.347 -4.765 433 HB2 LEU 56 HB2 LEU 56 -6.300 -0.977 -4.146 434 HB3 LEU 56 HB1 LEU 56 -4.622 -1.323 -3.860 435 HG LEU 56 HG LEU 56 -4.500 0.338 -2.069 436 HD11 LEU 56 HD11 LEU 56 -6.171 1.918 -2.825 437 HD12 LEU 56 HD12 LEU 56 -6.552 1.370 -1.195 438 HD13 LEU 56 HD13 LEU 56 -7.446 0.728 -2.573 439 HD21 LEU 56 HD21 LEU 56 -6.768 -1.594 -1.760 440 HD22 LEU 56 HD22 LEU 56 -5.894 -0.812 -0.435 441 HD23 LEU 56 HD23 LEU 56 -5.057 -1.942 -1.505 442 H ALA 57 HN ALA 57 -2.753 -0.506 -5.515 443 HA ALA 57 HA ALA 57 -0.862 0.701 -3.848 444 HB1 ALA 57 HB1 ALA 57 0.767 0.013 -5.597 445 HB2 ALA 57 HB2 ALA 57 -0.589 -0.377 -6.654 446 HB3 ALA 57 HB3 ALA 57 -0.356 -1.272 -5.156 447 H GLU 58 HN GLU 58 -2.207 1.650 -6.893 448 HA GLU 58 HA GLU 58 -0.550 3.800 -7.614 449 HB2 GLU 58 HB2 GLU 58 -2.059 2.674 -9.130 450 HB3 GLU 58 HB1 GLU 58 -3.435 3.162 -8.166 451 HG2 GLU 58 HG2 GLU 58 -2.827 5.533 -8.721 452 HG3 GLU 58 HG1 GLU 58 -1.675 4.864 -9.882 453 H ILE 59 HN ILE 59 -3.398 3.536 -5.591 454 HA ILE 59 HA ILE 59 -3.779 6.328 -5.316 455 HB ILE 59 HB ILE 59 -4.962 4.011 -3.731 456 HG12 ILE 59 HG12 ILE 59 -6.329 5.621 -5.857 457 HG13 ILE 59 HG11 ILE 59 -5.281 4.272 -6.314 458 HG21 ILE 59 HG21 ILE 59 -5.826 6.910 -3.950 459 HG22 ILE 59 HG22 ILE 59 -5.141 6.155 -2.512 460 HG23 ILE 59 HG23 ILE 59 -6.721 5.647 -3.111 461 HD11 ILE 59 HD11 ILE 59 -7.556 3.615 -6.298 462 HD12 ILE 59 HD12 ILE 59 -7.790 4.214 -4.648 463 HD13 ILE 59 HD13 ILE 59 -6.734 2.829 -4.970 464 H LEU 60 HN LEU 60 -2.008 3.879 -3.571 465 HA LEU 60 HA LEU 60 -1.446 5.466 -1.285 466 HB2 LEU 60 HB2 LEU 60 -0.145 3.008 -2.405 467 HB3 LEU 60 HB1 LEU 60 0.701 3.921 -1.180 468 HG LEU 60 HG LEU 60 -0.406 2.043 -0.177 469 HD11 LEU 60 HD11 LEU 60 -1.757 3.115 1.530 470 HD12 LEU 60 HD12 LEU 60 -1.848 4.576 0.556 471 HD13 LEU 60 HD13 LEU 60 -0.289 4.027 1.177 472 HD21 LEU 60 HD21 LEU 60 -2.941 3.155 -1.322 473 HD22 LEU 60 HD22 LEU 60 -2.851 1.818 -0.162 474 HD23 LEU 60 HD23 LEU 60 -2.157 1.634 -1.779 475 H VAL 61 HN VAL 61 0.280 4.966 -4.345 476 HA VAL 61 HA VAL 61 2.387 6.797 -3.556 477 HB VAL 61 HB VAL 61 2.784 4.786 -5.009 478 HG11 VAL 61 HG11 VAL 61 2.305 4.928 -7.416 479 HG12 VAL 61 HG12 VAL 61 1.335 6.369 -7.090 480 HG13 VAL 61 HG13 VAL 61 0.869 4.821 -6.395 481 HG21 VAL 61 HG21 VAL 61 3.632 7.422 -6.208 482 HG22 VAL 61 HG22 VAL 61 4.372 5.861 -6.570 483 HG23 VAL 61 HG23 VAL 61 4.472 6.530 -4.940 484 H ASN 62 HN ASN 62 -0.644 7.196 -4.478 485 HA ASN 62 HA ASN 62 -0.484 9.432 -6.280 486 HB2 ASN 62 HB2 ASN 62 -2.417 7.880 -6.248 487 HB3 ASN 62 HB1 ASN 62 -2.763 8.334 -4.596 488 HD21 ASN 62 HD21 ASN 62 -4.502 8.377 -6.910 489 HD22 ASN 62 HD22 ASN 62 -5.061 9.977 -7.060 490 H THR 63 HN THR 63 -0.737 8.846 -2.820 491 HA THR 63 HA THR 63 -1.217 11.636 -2.294 492 HB THR 63 HB THR 63 -1.537 10.601 0.093 493 HG1 THR 63 HG1 THR 63 -2.427 8.297 -0.707 494 HG21 THR 63 HG21 THR 63 -3.868 10.056 -0.473 495 HG22 THR 63 HG22 THR 63 -3.444 9.976 -2.181 496 HG23 THR 63 HG23 THR 63 -3.359 11.514 -1.326 497 H SER 64 HN SER 64 0.798 9.127 -0.731 498 HA SER 64 HA SER 64 2.460 11.241 0.420 499 HB2 SER 64 HB2 SER 64 2.344 8.301 0.976 500 HB3 SER 64 HB1 SER 64 3.235 9.513 1.900 501 HG SER 64 HG SER 64 1.256 10.535 2.302 502 H SER 65 HN SER 65 4.719 10.680 0.862 503 HA SER 65 HA SER 65 6.216 10.211 -1.560 504 HB2 SER 65 HB2 SER 65 7.101 10.680 1.284 505 HB3 SER 65 HB1 SER 65 8.064 10.949 -0.183 506 HG SER 65 HG SER 65 6.369 12.511 -0.741 507 H GLU 66 HN GLU 66 7.845 8.526 -1.696 508 HA GLU 66 HA GLU 66 6.877 6.040 -1.064 509 HB2 GLU 66 HB2 GLU 66 9.094 5.126 -1.752 510 HB3 GLU 66 HB1 GLU 66 8.355 6.199 -2.917 511 HG2 GLU 66 HG2 GLU 66 10.696 6.654 -2.908 512 HG3 GLU 66 HG1 GLU 66 9.902 7.995 -2.089 513 H ASN 67 HN ASN 67 9.099 7.919 0.763 514 HA ASN 67 HA ASN 67 10.036 5.946 2.511 515 HB2 ASN 67 HB2 ASN 67 11.073 8.140 2.264 516 HB3 ASN 67 HB1 ASN 67 9.668 8.903 2.979 517 HD21 ASN 67 HD21 ASN 67 10.917 9.816 4.528 518 HD22 ASN 67 HD22 ASN 67 11.566 8.947 5.876 519 H TRP 68 HN TRP 68 7.097 7.794 2.557 520 HA TRP 68 HA TRP 68 6.398 6.905 5.213 521 HB2 TRP 68 HB2 TRP 68 5.685 9.137 4.298 522 HB3 TRP 68 HB1 TRP 68 4.683 8.289 3.132 523 HD1 TRP 68 HD1 TRP 68 4.816 9.295 6.812 524 HE1 TRP 68 HE1 TRP 68 2.468 8.903 7.868 525 HE3 TRP 68 HE3 TRP 68 2.552 6.762 2.981 526 HZ2 TRP 68 HZ2 TRP 68 0.062 7.717 7.180 527 HZ3 TRP 68 HZ3 TRP 68 0.222 6.051 3.268 528 HH2 TRP 68 HH2 TRP 68 -0.989 6.516 5.323 529 H ILE 69 HN ILE 69 5.485 6.271 1.862 530 HA ILE 69 HA ILE 69 3.384 4.456 2.362 531 HB ILE 69 HB ILE 69 5.168 4.476 -0.081 532 HG12 ILE 69 HG12 ILE 69 2.573 5.960 0.296 533 HG13 ILE 69 HG11 ILE 69 4.145 6.730 0.533 534 HG21 ILE 69 HG21 ILE 69 3.143 3.555 -1.184 535 HG22 ILE 69 HG22 ILE 69 2.329 3.566 0.392 536 HG23 ILE 69 HG23 ILE 69 3.715 2.525 0.139 537 HD11 ILE 69 HD11 ILE 69 3.117 5.479 -2.002 538 HD12 ILE 69 HD12 ILE 69 4.708 6.211 -1.795 539 HD13 ILE 69 HD13 ILE 69 3.256 7.205 -1.659 540 H ARG 70 HN ARG 70 6.845 3.986 1.868 541 HA ARG 70 HA ARG 70 6.811 1.199 1.606 542 HB2 ARG 70 HB2 ARG 70 9.193 1.271 1.775 543 HB3 ARG 70 HB1 ARG 70 8.690 2.724 0.939 544 HG2 ARG 70 HG2 ARG 70 8.933 3.939 3.139 545 HG3 ARG 70 HG1 ARG 70 9.715 2.478 3.752 546 HD2 ARG 70 HD2 ARG 70 11.301 2.665 1.738 547 HD3 ARG 70 HD1 ARG 70 10.602 4.263 1.499 548 HE ARG 70 HE ARG 70 11.635 3.800 4.132 549 HH11 ARG 70 HH11 ARG 70 12.260 5.217 0.899 550 HH12 ARG 70 HH12 ARG 70 13.657 6.004 1.401 551 HH21 ARG 70 HH21 ARG 70 13.609 4.863 4.746 552 HH22 ARG 70 HH22 ARG 70 14.476 5.802 3.609 553 H ASN 71 HN ASN 71 6.522 3.178 4.347 554 HA ASN 71 HA ASN 71 6.971 0.926 6.158 555 HB2 ASN 71 HB2 ASN 71 7.947 3.126 6.776 556 HB3 ASN 71 HB1 ASN 71 6.341 3.839 6.748 557 HD21 ASN 71 HD21 ASN 71 4.961 3.499 8.476 558 HD22 ASN 71 HD22 ASN 71 5.459 2.748 9.942 559 H ALA 72 HN ALA 72 4.522 3.116 4.964 560 HA ALA 72 HA ALA 72 2.350 2.537 6.556 561 HB1 ALA 72 HB1 ALA 72 0.984 3.479 4.843 562 HB2 ALA 72 HB2 ALA 72 2.253 3.229 3.650 563 HB3 ALA 72 HB3 ALA 72 2.489 4.396 4.959 564 H THR 73 HN THR 73 3.109 1.098 3.379 565 HA THR 73 HA THR 73 0.835 -0.579 3.414 566 HB THR 73 HB THR 73 1.961 -0.021 1.277 567 HG1 THR 73 HG1 THR 73 1.378 -2.616 2.036 568 HG21 THR 73 HG21 THR 73 4.051 -1.178 0.607 569 HG22 THR 73 HG22 THR 73 4.188 -1.846 2.233 570 HG23 THR 73 HG23 THR 73 4.311 -0.107 1.983 571 H VAL 74 HN VAL 74 4.054 -0.996 4.612 572 HA VAL 74 HA VAL 74 3.946 -3.759 5.081 573 HB VAL 74 HB VAL 74 5.595 -1.559 6.361 574 HG11 VAL 74 HG11 VAL 74 5.913 -4.548 6.675 575 HG12 VAL 74 HG12 VAL 74 5.420 -3.424 7.940 576 HG13 VAL 74 HG13 VAL 74 7.042 -3.325 7.254 577 HG21 VAL 74 HG21 VAL 74 7.388 -2.494 4.981 578 HG22 VAL 74 HG22 VAL 74 6.026 -1.956 4.002 579 HG23 VAL 74 HG23 VAL 74 6.258 -3.674 4.323 580 H ASN 75 HN ASN 75 3.158 -0.965 7.089 581 HA ASN 75 HA ASN 75 2.615 -2.339 9.497 582 HB2 ASN 75 HB2 ASN 75 2.890 0.201 9.076 583 HB3 ASN 75 HB1 ASN 75 1.199 0.182 8.623 584 HD21 ASN 75 HD21 ASN 75 0.528 -1.830 10.781 585 HD22 ASN 75 HD22 ASN 75 0.596 -0.941 12.245 586 H ILE 76 HN ILE 76 0.568 -1.659 6.707 587 HA ILE 76 HA ILE 76 -1.874 -2.599 7.889 588 HB ILE 76 HB ILE 76 -1.169 -2.619 4.928 589 HG12 ILE 76 HG12 ILE 76 -0.909 -0.352 6.010 590 HG13 ILE 76 HG11 ILE 76 -2.109 -0.408 4.722 591 HG21 ILE 76 HG21 ILE 76 -3.129 -3.952 5.485 592 HG22 ILE 76 HG22 ILE 76 -3.605 -2.506 4.597 593 HG23 ILE 76 HG23 ILE 76 -3.839 -2.582 6.342 594 HD11 ILE 76 HD11 ILE 76 -3.881 -0.400 6.364 595 HD12 ILE 76 HD12 ILE 76 -2.775 0.943 6.641 596 HD13 ILE 76 HD13 ILE 76 -2.698 -0.487 7.677 597 H LEU 77 HN LEU 77 0.613 -4.167 5.883 598 HA LEU 77 HA LEU 77 -0.598 -6.716 5.813 599 HB2 LEU 77 HB2 LEU 77 2.266 -5.837 5.539 600 HB3 LEU 77 HB1 LEU 77 1.816 -7.526 5.499 601 HG LEU 77 HG LEU 77 0.213 -6.064 3.609 602 HD11 LEU 77 HD11 LEU 77 3.226 -5.885 3.276 603 HD12 LEU 77 HD12 LEU 77 2.154 -4.512 3.555 604 HD13 LEU 77 HD13 LEU 77 2.029 -5.441 2.060 605 HD21 LEU 77 HD21 LEU 77 2.332 -8.172 3.291 606 HD22 LEU 77 HD22 LEU 77 1.135 -7.712 2.083 607 HD23 LEU 77 HD23 LEU 77 0.622 -8.461 3.595 608 H GLU 78 HN GLU 78 1.634 -5.229 8.063 609 HA GLU 78 HA GLU 78 2.023 -7.372 9.807 610 HB2 GLU 78 HB2 GLU 78 1.904 -4.416 10.421 611 HB3 GLU 78 HB1 GLU 78 2.539 -5.606 11.533 612 HG2 GLU 78 HG2 GLU 78 3.660 -4.892 8.830 613 HG3 GLU 78 HG1 GLU 78 4.324 -4.433 10.393 614 H GLU 79 HN GLU 79 -0.495 -4.923 9.701 615 HA GLU 79 HA GLU 79 -1.921 -5.811 11.955 616 HB2 GLU 79 HB2 GLU 79 -2.609 -4.114 9.630 617 HB3 GLU 79 HB1 GLU 79 -3.843 -4.458 10.817 618 HG2 GLU 79 HG2 GLU 79 -1.218 -3.032 11.237 619 HG3 GLU 79 HG1 GLU 79 -2.836 -2.334 11.307 620 H MET 80 HN MET 80 -1.761 -7.014 8.762 621 HA MET 80 HA MET 80 -4.225 -8.549 9.085 622 HB2 MET 80 HB2 MET 80 -2.312 -8.384 6.749 623 HB3 MET 80 HB1 MET 80 -3.762 -9.376 6.781 624 HG2 MET 80 HG2 MET 80 -5.102 -7.326 7.042 625 HG3 MET 80 HG1 MET 80 -3.626 -6.375 6.920 626 HE1 MET 80 HE1 MET 80 -4.619 -9.646 4.887 627 HE2 MET 80 HE2 MET 80 -5.372 -8.916 3.474 628 HE3 MET 80 HE3 MET 80 -6.132 -8.754 5.057 629 H ASN 81 HN ASN 81 -1.186 -8.826 10.160 630 HA ASN 81 HA ASN 81 0.110 -10.473 10.991 631 HB2 ASN 81 HB2 ASN 81 -2.031 -11.338 12.005 632 HB3 ASN 81 HB1 ASN 81 -2.356 -12.219 10.542 633 HD21 ASN 81 HD21 ASN 81 -1.570 -14.135 10.346 634 HD22 ASN 81 HD22 ASN 81 -0.563 -15.003 11.457 635 H LEU 82 HN LEU 82 -0.062 -9.853 8.157 636 HA LEU 82 HA LEU 82 0.698 -12.303 6.805 637 HB2 LEU 82 HB2 LEU 82 0.546 -9.424 5.891 638 HB3 LEU 82 HB1 LEU 82 1.019 -10.755 4.851 639 HG LEU 82 HG LEU 82 -1.698 -10.420 6.142 640 HD11 LEU 82 HD11 LEU 82 -0.829 -10.011 3.273 641 HD12 LEU 82 HD12 LEU 82 -1.330 -8.747 4.395 642 HD13 LEU 82 HD13 LEU 82 -2.485 -9.961 3.860 643 HD21 LEU 82 HD21 LEU 82 -2.355 -12.228 4.639 644 HD22 LEU 82 HD22 LEU 82 -1.126 -12.747 5.800 645 HD23 LEU 82 HD23 LEU 82 -0.674 -12.388 4.127 646 H THR 83 HN THR 83 2.742 -13.000 7.106 647 HA THR 83 HA THR 83 4.785 -10.994 7.698 648 HB THR 83 HB THR 83 6.057 -13.244 8.190 649 HG1 THR 83 HG1 THR 83 3.623 -14.089 9.184 650 HG21 THR 83 HG21 THR 83 5.691 -11.497 9.818 651 HG22 THR 83 HG22 THR 83 5.375 -13.076 10.540 652 HG23 THR 83 HG23 THR 83 4.024 -12.037 10.054 653 H GLU 84 HN GLU 84 4.198 -13.882 5.887 654 HA GLU 84 HA GLU 84 6.546 -14.150 4.527 655 HB2 GLU 84 HB2 GLU 84 5.062 -15.236 2.690 656 HB3 GLU 84 HB1 GLU 84 5.156 -15.950 4.285 657 HG2 GLU 84 HG2 GLU 84 2.961 -14.025 3.678 658 HG3 GLU 84 HG1 GLU 84 2.836 -15.705 3.107 659 H LEU 85 HN LEU 85 3.750 -12.720 2.835 660 HA LEU 85 HA LEU 85 5.506 -11.635 0.894 661 HB2 LEU 85 HB2 LEU 85 3.588 -10.605 -0.174 662 HB3 LEU 85 HB1 LEU 85 3.250 -12.270 0.215 663 HG LEU 85 HG LEU 85 2.217 -9.921 1.823 664 HD11 LEU 85 HD11 LEU 85 1.340 -9.832 -0.437 665 HD12 LEU 85 HD12 LEU 85 0.088 -10.327 0.705 666 HD13 LEU 85 HD13 LEU 85 0.858 -11.527 -0.332 667 HD21 LEU 85 HD21 LEU 85 2.223 -11.971 3.116 668 HD22 LEU 85 HD22 LEU 85 1.474 -12.848 1.786 669 HD23 LEU 85 HD23 LEU 85 0.569 -11.591 2.632 670 H CYS 86 HN CYS 86 4.568 -10.498 3.914 671 HA CYS 86 HA CYS 86 4.838 -7.702 3.309 672 HB2 CYS 86 HB2 CYS 86 3.503 -8.570 5.198 673 HB3 CYS 86 HB1 CYS 86 4.996 -9.177 5.879 674 HG CYS 86 HG CYS 86 4.493 -7.017 7.421 675 H LYS 87 HN LYS 87 6.853 -10.300 4.490 676 HA LYS 87 HA LYS 87 9.126 -8.711 5.041 677 HB2 LYS 87 HB2 LYS 87 8.735 -11.667 4.604 678 HB3 LYS 87 HB1 LYS 87 10.292 -10.956 5.031 679 HG2 LYS 87 HG2 LYS 87 9.547 -10.281 7.138 680 HG3 LYS 87 HG1 LYS 87 7.854 -10.437 6.685 681 HD2 LYS 87 HD2 LYS 87 8.586 -12.225 8.201 682 HD3 LYS 87 HD1 LYS 87 8.050 -12.846 6.646 683 HE2 LYS 87 HE2 LYS 87 10.296 -13.066 5.913 684 HE3 LYS 87 HE1 LYS 87 10.911 -12.364 7.412 685 HZ1 LYS 87 HZ1 LYS 87 9.958 -14.275 8.619 686 HZ2 LYS 87 HZ2 LYS 87 11.051 -14.789 7.448 687 HZ3 LYS 87 HZ3 LYS 87 9.405 -14.926 7.164 688 H MET 88 HN MET 88 7.682 -9.735 2.200 689 HA MET 88 HA MET 88 9.974 -9.644 0.487 690 HB2 MET 88 HB2 MET 88 7.822 -10.828 -0.027 691 HB3 MET 88 HB1 MET 88 7.027 -9.275 -0.075 692 HG2 MET 88 HG2 MET 88 8.452 -8.623 -1.966 693 HG3 MET 88 HG1 MET 88 9.154 -10.245 -1.954 694 HE1 MET 88 HE1 MET 88 7.879 -9.078 -4.563 695 HE2 MET 88 HE2 MET 88 6.926 -10.453 -5.129 696 HE3 MET 88 HE3 MET 88 8.526 -10.712 -4.434 697 H ALA 89 HN ALA 89 7.419 -7.554 1.629 698 HA ALA 89 HA ALA 89 8.096 -5.232 0.120 699 HB1 ALA 89 HB1 ALA 89 6.590 -4.049 1.631 700 HB2 ALA 89 HB2 ALA 89 6.605 -5.425 2.733 701 HB3 ALA 89 HB3 ALA 89 5.878 -5.589 1.138 702 H LYS 90 HN LYS 90 8.846 -6.434 3.328 703 HA LYS 90 HA LYS 90 10.323 -4.219 4.235 704 HB2 LYS 90 HB2 LYS 90 10.455 -7.101 5.102 705 HB3 LYS 90 HB1 LYS 90 11.261 -5.781 5.931 706 HG2 LYS 90 HG2 LYS 90 9.098 -4.727 6.357 707 HG3 LYS 90 HG1 LYS 90 8.293 -6.068 5.539 708 HD2 LYS 90 HD2 LYS 90 9.114 -7.617 7.174 709 HD3 LYS 90 HD1 LYS 90 10.040 -6.345 7.983 710 HE2 LYS 90 HE2 LYS 90 7.901 -5.157 8.413 711 HE3 LYS 90 HE1 LYS 90 7.042 -6.516 7.698 712 HZ1 LYS 90 HZ1 LYS 90 7.988 -7.932 9.448 713 HZ2 LYS 90 HZ2 LYS 90 7.003 -6.725 10.036 714 HZ3 LYS 90 HZ3 LYS 90 8.675 -6.568 10.183 715 H ALA 91 HN ALA 91 11.088 -6.569 1.972 716 HA ALA 91 HA ALA 91 13.936 -6.041 2.256 717 HB1 ALA 91 HB1 ALA 91 12.557 -8.091 0.524 718 HB2 ALA 91 HB2 ALA 91 13.209 -8.404 2.126 719 HB3 ALA 91 HB3 ALA 91 14.296 -7.962 0.808 720 H GLU 92 HN GLU 92 11.268 -5.577 0.153 721 HA GLU 92 HA GLU 92 13.002 -4.456 -1.911 722 HB2 GLU 92 HB2 GLU 92 10.203 -5.296 -1.811 723 HB3 GLU 92 HB1 GLU 92 10.802 -4.522 -3.272 724 HG2 GLU 92 HG2 GLU 92 12.637 -6.524 -2.801 725 HG3 GLU 92 HG1 GLU 92 11.175 -7.196 -2.108 726 H MET 93 HN MET 93 9.840 -3.592 -0.619 727 HA MET 93 HA MET 93 9.782 -0.982 -1.662 728 HB2 MET 93 HB2 MET 93 8.087 -2.649 -0.066 729 HB3 MET 93 HB1 MET 93 8.147 -1.037 0.629 730 HG2 MET 93 HG2 MET 93 7.719 -1.325 -2.270 731 HG3 MET 93 HG1 MET 93 6.389 -1.753 -1.226 732 HE1 MET 93 HE1 MET 93 8.199 2.487 -1.837 733 HE2 MET 93 HE2 MET 93 8.564 1.063 -2.816 734 HE3 MET 93 HE3 MET 93 9.173 1.181 -1.163 735 H MET 94 HN MET 94 10.310 -2.017 1.647 736 HA MET 94 HA MET 94 11.345 0.634 2.136 737 HB2 MET 94 HB2 MET 94 11.450 -0.102 4.550 738 HB3 MET 94 HB1 MET 94 9.842 0.067 3.859 739 HG2 MET 94 HG2 MET 94 9.739 -2.322 3.519 740 HG3 MET 94 HG1 MET 94 11.356 -2.492 4.197 741 HE1 MET 94 HE1 MET 94 11.368 -0.517 6.647 742 HE2 MET 94 HE2 MET 94 11.945 -2.180 6.754 743 HE3 MET 94 HE3 MET 94 10.805 -1.559 7.949 744 H GLU 95 HN GLU 95 13.078 0.355 0.852 745 HA GLU 95 HA GLU 95 15.130 -1.438 1.751 746 HB2 GLU 95 HB2 GLU 95 16.568 -0.354 -0.007 747 HB3 GLU 95 HB1 GLU 95 15.098 -1.071 -0.632 748 HG2 GLU 95 HG2 GLU 95 14.086 1.111 -0.866 749 HG3 GLU 95 HG1 GLU 95 15.477 1.871 -0.093 750 H ASP 96 HN ASP 96 16.088 -1.039 3.549 751 HA ASP 96 HA ASP 96 16.280 1.659 4.487 752 HB2 ASP 96 HB2 ASP 96 15.694 0.012 6.144 753 HB3 ASP 96 HB1 ASP 96 17.146 -0.919 5.776 754 H GLY 97 HN GLY 97 17.564 2.620 3.162 755 HA2 GLY 97 HA2 GLY 97 20.398 1.927 3.445 756 HA3 GLY 97 HA1 GLY 97 19.726 2.660 1.988 757 H GLN 98 HN GLN 98 18.787 4.774 2.149 758 HA GLN 98 HA GLN 98 19.459 6.328 4.484 759 HB2 GLN 98 HB2 GLN 98 20.504 6.893 1.705 760 HB3 GLN 98 HB1 GLN 98 20.511 8.086 2.994 761 HG2 GLN 98 HG2 GLN 98 22.030 6.711 4.294 762 HG3 GLN 98 HG1 GLN 98 21.947 5.440 3.078 763 HE21 GLN 98 HE21 GLN 98 22.992 5.728 1.149 764 HE22 GLN 98 HE22 GLN 98 24.250 6.888 0.926 Start of MODEL 2 1 H MET 3 HT1 MET 3 16.360 5.974 -4.168 2 HA MET 3 HA MET 3 13.946 5.782 -4.462 3 HB2 MET 3 HB2 MET 3 14.797 7.834 -3.397 4 HB3 MET 3 HB1 MET 3 15.018 8.567 -4.979 5 HG2 MET 3 HG2 MET 3 12.629 8.548 -5.364 6 HG3 MET 3 HG1 MET 3 12.363 7.712 -3.840 7 HE1 MET 3 HE1 MET 3 14.297 9.189 -1.804 8 HE2 MET 3 HE2 MET 3 12.608 8.808 -1.466 9 HE3 MET 3 HE3 MET 3 13.221 10.440 -1.189 10 H THR 4 HN THR 4 13.044 4.759 -6.086 11 HA THR 4 HA THR 4 12.771 6.264 -8.565 12 HB THR 4 HB THR 4 12.613 4.007 -9.661 13 HG1 THR 4 HG1 THR 4 13.865 3.222 -7.190 14 HG21 THR 4 HG21 THR 4 14.531 5.482 -10.019 15 HG22 THR 4 HG22 THR 4 15.068 3.805 -9.943 16 HG23 THR 4 HG23 THR 4 15.299 4.868 -8.554 17 H SER 5 HN SER 5 10.769 6.496 -9.225 18 HA SER 5 HA SER 5 8.621 5.689 -7.595 19 HB2 SER 5 HB2 SER 5 8.482 6.743 -10.426 20 HB3 SER 5 HB1 SER 5 7.170 6.738 -9.246 21 HG SER 5 HG SER 5 8.308 8.200 -7.995 22 HA PRO 6 HA PRO 6 7.640 2.533 -11.373 23 HB2 PRO 6 HB2 PRO 6 10.089 1.400 -12.153 24 HB3 PRO 6 HB1 PRO 6 9.083 2.483 -13.120 25 HG2 PRO 6 HG2 PRO 6 11.452 3.104 -11.414 26 HG3 PRO 6 HG1 PRO 6 10.995 3.792 -12.982 27 HD2 PRO 6 HD2 PRO 6 10.605 5.173 -10.766 28 HD3 PRO 6 HD1 PRO 6 9.351 5.159 -12.027 29 H GLN 7 HN GLN 7 10.733 1.830 -9.690 30 HA GLN 7 HA GLN 7 10.036 -0.840 -9.110 31 HB2 GLN 7 HB2 GLN 7 12.174 0.969 -8.010 32 HB3 GLN 7 HB1 GLN 7 11.950 -0.652 -7.388 33 HG2 GLN 7 HG2 GLN 7 13.762 -0.508 -9.028 34 HG3 GLN 7 HG1 GLN 7 12.490 -1.602 -9.538 35 HE21 GLN 7 HE21 GLN 7 11.340 -1.143 -11.372 36 HE22 GLN 7 HE22 GLN 7 11.757 0.139 -12.448 37 H LEU 8 HN LEU 8 9.769 2.102 -7.217 38 HA LEU 8 HA LEU 8 9.069 0.977 -4.748 39 HB2 LEU 8 HB2 LEU 8 9.819 3.293 -5.149 40 HB3 LEU 8 HB1 LEU 8 8.340 3.630 -5.994 41 HG LEU 8 HG LEU 8 8.511 4.628 -3.776 42 HD11 LEU 8 HD11 LEU 8 6.300 4.265 -4.725 43 HD12 LEU 8 HD12 LEU 8 6.276 4.133 -2.968 44 HD13 LEU 8 HD13 LEU 8 6.229 2.674 -3.966 45 HD21 LEU 8 HD21 LEU 8 8.378 1.803 -2.746 46 HD22 LEU 8 HD22 LEU 8 8.252 3.257 -1.754 47 HD23 LEU 8 HD23 LEU 8 9.746 2.907 -2.622 48 H GLU 9 HN GLU 9 7.067 2.309 -7.350 49 HA GLU 9 HA GLU 9 4.605 1.670 -6.110 50 HB2 GLU 9 HB2 GLU 9 5.058 3.469 -7.785 51 HB3 GLU 9 HB1 GLU 9 5.133 2.233 -9.040 52 HG2 GLU 9 HG2 GLU 9 2.779 1.627 -8.465 53 HG3 GLU 9 HG1 GLU 9 2.764 2.988 -7.341 54 H TRP 10 HN TRP 10 6.772 0.047 -8.312 55 HA TRP 10 HA TRP 10 5.159 -2.041 -9.140 56 HB2 TRP 10 HB2 TRP 10 7.292 -1.740 -10.221 57 HB3 TRP 10 HB1 TRP 10 8.153 -1.947 -8.700 58 HD1 TRP 10 HD1 TRP 10 6.306 -3.952 -11.362 59 HE1 TRP 10 HE1 TRP 10 6.933 -6.447 -11.120 60 HE3 TRP 10 HE3 TRP 10 9.034 -3.672 -7.086 61 HZ2 TRP 10 HZ2 TRP 10 8.393 -8.067 -9.332 62 HZ3 TRP 10 HZ3 TRP 10 10.009 -5.724 -6.160 63 HH2 TRP 10 HH2 TRP 10 9.695 -7.873 -7.258 64 H THR 11 HN THR 11 7.240 -1.791 -6.220 65 HA THR 11 HA THR 11 6.721 -4.422 -5.414 66 HB THR 11 HB THR 11 7.331 -2.140 -3.476 67 HG1 THR 11 HG1 THR 11 8.974 -3.594 -5.273 68 HG21 THR 11 HG21 THR 11 8.437 -3.972 -2.241 69 HG22 THR 11 HG22 THR 11 7.893 -5.114 -3.467 70 HG23 THR 11 HG23 THR 11 6.713 -4.278 -2.457 71 H LEU 12 HN LEU 12 5.075 -1.413 -4.710 72 HA LEU 12 HA LEU 12 3.126 -2.340 -2.952 73 HB2 LEU 12 HB2 LEU 12 3.172 -0.192 -4.995 74 HB3 LEU 12 HB1 LEU 12 1.735 -0.470 -4.026 75 HG LEU 12 HG LEU 12 4.457 0.253 -2.956 76 HD11 LEU 12 HD11 LEU 12 3.413 2.086 -4.220 77 HD12 LEU 12 HD12 LEU 12 3.449 2.434 -2.496 78 HD13 LEU 12 HD13 LEU 12 1.945 1.913 -3.256 79 HD21 LEU 12 HD21 LEU 12 3.169 -1.076 -1.387 80 HD22 LEU 12 HD22 LEU 12 1.765 -0.037 -1.622 81 HD23 LEU 12 HD23 LEU 12 3.219 0.602 -0.856 82 H GLN 13 HN GLN 13 2.898 -1.959 -6.489 83 HA GLN 13 HA GLN 13 0.328 -3.032 -6.656 84 HB2 GLN 13 HB2 GLN 13 0.655 -3.159 -9.093 85 HB3 GLN 13 HB1 GLN 13 1.377 -1.682 -8.461 86 HG2 GLN 13 HG2 GLN 13 3.533 -2.676 -8.539 87 HG3 GLN 13 HG1 GLN 13 2.859 -4.163 -9.176 88 HE21 GLN 13 HE21 GLN 13 1.704 -0.988 -10.161 89 HE22 GLN 13 HE22 GLN 13 2.280 -1.084 -11.763 90 H THR 14 HN THR 14 3.451 -4.633 -6.963 91 HA THR 14 HA THR 14 2.461 -7.127 -7.725 92 HB THR 14 HB THR 14 4.985 -6.451 -6.228 93 HG1 THR 14 HG1 THR 14 5.225 -5.382 -8.094 94 HG21 THR 14 HG21 THR 14 4.325 -8.798 -8.034 95 HG22 THR 14 HG22 THR 14 4.536 -8.879 -6.280 96 HG23 THR 14 HG23 THR 14 5.901 -8.455 -7.316 97 H LEU 15 HN LEU 15 3.013 -5.766 -4.486 98 HA LEU 15 HA LEU 15 2.432 -8.182 -3.093 99 HB2 LEU 15 HB2 LEU 15 2.220 -5.309 -2.236 100 HB3 LEU 15 HB1 LEU 15 2.093 -6.672 -1.149 101 HG LEU 15 HG LEU 15 4.577 -6.167 -2.782 102 HD11 LEU 15 HD11 LEU 15 5.534 -5.155 -0.754 103 HD12 LEU 15 HD12 LEU 15 3.967 -5.278 0.052 104 HD13 LEU 15 HD13 LEU 15 4.164 -4.215 -1.341 105 HD21 LEU 15 HD21 LEU 15 4.092 -7.755 -0.246 106 HD22 LEU 15 HD22 LEU 15 5.618 -7.582 -1.071 107 HD23 LEU 15 HD23 LEU 15 4.291 -8.436 -1.861 108 H LEU 16 HN LEU 16 0.549 -5.344 -3.980 109 HA LEU 16 HA LEU 16 -1.837 -6.271 -2.758 110 HB2 LEU 16 HB2 LEU 16 -1.394 -4.064 -4.757 111 HB3 LEU 16 HB1 LEU 16 -2.865 -4.325 -3.839 112 HG LEU 16 HG LEU 16 -0.172 -3.661 -2.620 113 HD11 LEU 16 HD11 LEU 16 -1.031 -1.797 -3.929 114 HD12 LEU 16 HD12 LEU 16 -1.074 -1.455 -2.201 115 HD13 LEU 16 HD13 LEU 16 -2.557 -1.887 -3.047 116 HD21 LEU 16 HD21 LEU 16 -2.926 -3.762 -1.405 117 HD22 LEU 16 HD22 LEU 16 -1.468 -3.218 -0.590 118 HD23 LEU 16 HD23 LEU 16 -1.616 -4.903 -1.100 119 H GLU 17 HN GLU 17 -0.448 -6.762 -5.921 120 HA GLU 17 HA GLU 17 -2.921 -7.724 -7.025 121 HB2 GLU 17 HB2 GLU 17 -0.082 -7.937 -8.056 122 HB3 GLU 17 HB1 GLU 17 -1.474 -8.572 -8.920 123 HG2 GLU 17 HG2 GLU 17 -2.408 -6.260 -9.005 124 HG3 GLU 17 HG1 GLU 17 -0.945 -5.686 -8.234 125 H GLN 18 HN GLN 18 -0.745 -8.910 -4.882 126 HA GLN 18 HA GLN 18 -1.445 -11.683 -5.438 127 HB2 GLN 18 HB2 GLN 18 0.633 -10.427 -3.654 128 HB3 GLN 18 HB1 GLN 18 0.240 -12.144 -3.555 129 HG2 GLN 18 HG2 GLN 18 0.899 -12.451 -5.871 130 HG3 GLN 18 HG1 GLN 18 1.202 -10.723 -6.032 131 HE21 GLN 18 HE21 GLN 18 2.989 -9.867 -5.114 132 HE22 GLN 18 HE22 GLN 18 4.340 -10.826 -4.580 133 H LEU 19 HN LEU 19 -1.572 -9.268 -2.828 134 HA LEU 19 HA LEU 19 -3.601 -10.911 -1.492 135 HB2 LEU 19 HB2 LEU 19 -3.182 -9.677 0.458 136 HB3 LEU 19 HB1 LEU 19 -1.594 -9.814 -0.277 137 HG LEU 19 HG LEU 19 -2.514 -7.454 -1.275 138 HD11 LEU 19 HD11 LEU 19 -4.447 -7.397 -0.033 139 HD12 LEU 19 HD12 LEU 19 -3.376 -6.112 0.534 140 HD13 LEU 19 HD13 LEU 19 -3.595 -7.583 1.509 141 HD21 LEU 19 HD21 LEU 19 -1.083 -6.321 0.319 142 HD22 LEU 19 HD22 LEU 19 -0.335 -7.678 -0.504 143 HD23 LEU 19 HD23 LEU 19 -0.865 -7.852 1.203 144 H ASN 20 HN ASN 20 -5.630 -10.496 -2.207 145 HA ASN 20 HA ASN 20 -6.571 -7.874 -2.126 146 HB2 ASN 20 HB2 ASN 20 -7.271 -7.578 -4.559 147 HB3 ASN 20 HB1 ASN 20 -5.563 -7.436 -4.195 148 HD21 ASN 20 HD21 ASN 20 -4.238 -9.060 -4.707 149 HD22 ASN 20 HD22 ASN 20 -4.530 -10.181 -6.012 150 H GLU 21 HN GLU 21 -7.241 -11.053 -3.442 151 HA GLU 21 HA GLU 21 -9.762 -11.094 -4.204 152 HB2 GLU 21 HB2 GLU 21 -8.284 -13.022 -4.110 153 HB3 GLU 21 HB1 GLU 21 -8.540 -13.137 -2.377 154 HG2 GLU 21 HG2 GLU 21 -10.723 -13.871 -2.631 155 HG3 GLU 21 HG1 GLU 21 -10.813 -13.329 -4.309 156 H ASP 22 HN ASP 22 -9.377 -12.073 -0.765 157 HA ASP 22 HA ASP 22 -11.617 -10.260 -0.256 158 HB2 ASP 22 HB2 ASP 22 -11.130 -13.008 0.776 159 HB3 ASP 22 HB1 ASP 22 -11.937 -11.846 1.832 160 H GLU 23 HN GLU 23 -8.740 -10.331 -0.213 161 HA GLU 23 HA GLU 23 -7.850 -10.008 2.528 162 HB2 GLU 23 HB2 GLU 23 -6.144 -9.221 0.229 163 HB3 GLU 23 HB1 GLU 23 -5.717 -10.100 1.683 164 HG2 GLU 23 HG2 GLU 23 -7.210 -11.186 -0.684 165 HG3 GLU 23 HG1 GLU 23 -5.506 -11.465 -0.352 166 H LEU 24 HN LEU 24 -8.232 -8.047 -0.408 167 HA LEU 24 HA LEU 24 -7.016 -5.726 0.644 168 HB2 LEU 24 HB2 LEU 24 -7.781 -6.547 -1.861 169 HB3 LEU 24 HB1 LEU 24 -8.991 -5.372 -1.468 170 HG LEU 24 HG LEU 24 -7.313 -3.651 -1.110 171 HD11 LEU 24 HD11 LEU 24 -5.449 -5.016 -0.334 172 HD12 LEU 24 HD12 LEU 24 -4.982 -4.093 -1.762 173 HD13 LEU 24 HD13 LEU 24 -5.362 -5.805 -1.908 174 HD21 LEU 24 HD21 LEU 24 -6.592 -3.440 -3.422 175 HD22 LEU 24 HD22 LEU 24 -8.273 -3.969 -3.318 176 HD23 LEU 24 HD23 LEU 24 -7.000 -5.130 -3.704 177 H LYS 25 HN LYS 25 -10.171 -6.993 0.624 178 HA LYS 25 HA LYS 25 -11.774 -4.771 1.126 179 HB2 LYS 25 HB2 LYS 25 -12.064 -7.627 2.081 180 HB3 LYS 25 HB1 LYS 25 -13.352 -6.426 2.078 181 HG2 LYS 25 HG2 LYS 25 -13.406 -6.325 -0.283 182 HG3 LYS 25 HG1 LYS 25 -11.882 -7.186 -0.425 183 HD2 LYS 25 HD2 LYS 25 -13.720 -8.655 -1.024 184 HD3 LYS 25 HD1 LYS 25 -12.930 -9.186 0.456 185 HE2 LYS 25 HE2 LYS 25 -14.629 -8.351 1.804 186 HE3 LYS 25 HE1 LYS 25 -15.426 -7.534 0.444 187 HZ1 LYS 25 HZ1 LYS 25 -16.021 -9.632 -0.475 188 HZ2 LYS 25 HZ2 LYS 25 -16.452 -9.744 1.152 189 HZ3 LYS 25 HZ3 LYS 25 -15.033 -10.475 0.583 190 H SER 26 HN SER 26 -9.901 -6.836 3.378 191 HA SER 26 HA SER 26 -10.658 -5.591 5.739 192 HB2 SER 26 HB2 SER 26 -8.367 -7.238 4.786 193 HB3 SER 26 HB1 SER 26 -8.644 -6.846 6.466 194 HG SER 26 HG SER 26 -9.536 -8.921 5.360 195 H PHE 27 HN PHE 27 -7.811 -5.507 3.662 196 HA PHE 27 HA PHE 27 -6.116 -3.778 4.965 197 HB2 PHE 27 HB2 PHE 27 -5.576 -5.179 3.043 198 HB3 PHE 27 HB1 PHE 27 -6.553 -4.184 2.000 199 HD1 PHE 27 HD1 PHE 27 -5.699 -1.640 1.824 200 HD2 PHE 27 HD2 PHE 27 -3.321 -4.895 3.199 201 HE1 PHE 27 HE1 PHE 27 -3.656 -0.371 1.296 202 HE2 PHE 27 HE2 PHE 27 -1.280 -3.624 2.686 203 HZ PHE 27 HZ PHE 27 -1.446 -1.360 1.733 204 H LYS 28 HN LYS 28 -8.712 -2.964 2.687 205 HA LYS 28 HA LYS 28 -8.254 -0.197 2.495 206 HB2 LYS 28 HB2 LYS 28 -10.798 -1.763 2.122 207 HB3 LYS 28 HB1 LYS 28 -10.606 -0.069 1.688 208 HG2 LYS 28 HG2 LYS 28 -8.964 -0.596 0.054 209 HG3 LYS 28 HG1 LYS 28 -8.890 -2.273 0.595 210 HD2 LYS 28 HD2 LYS 28 -11.259 -2.537 -0.090 211 HD3 LYS 28 HD1 LYS 28 -11.214 -0.893 -0.736 212 HE2 LYS 28 HE2 LYS 28 -9.441 -1.491 -2.242 213 HE3 LYS 28 HE1 LYS 28 -9.369 -3.116 -1.564 214 HZ1 LYS 28 HZ1 LYS 28 -11.607 -3.509 -2.420 215 HZ2 LYS 28 HZ2 LYS 28 -10.571 -3.058 -3.648 216 HZ3 LYS 28 HZ3 LYS 28 -11.673 -1.953 -3.042 217 H SER 29 HN SER 29 -9.820 -2.004 5.001 218 HA SER 29 HA SER 29 -11.039 0.400 6.082 219 HB2 SER 29 HB2 SER 29 -12.085 -2.000 6.147 220 HB3 SER 29 HB1 SER 29 -10.891 -2.320 7.373 221 HG SER 29 HG SER 29 -12.844 -0.277 7.531 222 H LEU 30 HN LEU 30 -8.406 -1.781 6.559 223 HA LEU 30 HA LEU 30 -7.569 -0.959 9.108 224 HB2 LEU 30 HB2 LEU 30 -6.162 -2.347 6.866 225 HB3 LEU 30 HB1 LEU 30 -5.432 -2.070 8.439 226 HG LEU 30 HG LEU 30 -8.050 -3.517 8.200 227 HD11 LEU 30 HD11 LEU 30 -5.274 -4.673 8.054 228 HD12 LEU 30 HD12 LEU 30 -6.507 -4.667 6.780 229 HD13 LEU 30 HD13 LEU 30 -6.776 -5.591 8.255 230 HD21 LEU 30 HD21 LEU 30 -7.337 -4.449 10.330 231 HD22 LEU 30 HD22 LEU 30 -7.337 -2.682 10.397 232 HD23 LEU 30 HD23 LEU 30 -5.820 -3.565 10.205 233 H LEU 31 HN LEU 31 -6.524 0.121 5.867 234 HA LEU 31 HA LEU 31 -4.651 1.906 7.137 235 HB2 LEU 31 HB2 LEU 31 -3.804 2.453 5.036 236 HB3 LEU 31 HB1 LEU 31 -4.476 0.871 4.745 237 HG LEU 31 HG LEU 31 -5.864 3.449 4.007 238 HD11 LEU 31 HD11 LEU 31 -3.780 3.250 2.803 239 HD12 LEU 31 HD12 LEU 31 -5.140 2.959 1.720 240 HD13 LEU 31 HD13 LEU 31 -4.185 1.603 2.331 241 HD21 LEU 31 HD21 LEU 31 -7.194 2.013 2.557 242 HD22 LEU 31 HD22 LEU 31 -7.349 1.536 4.250 243 HD23 LEU 31 HD23 LEU 31 -6.322 0.601 3.159 244 H TRP 32 HN TRP 32 -7.914 1.978 6.716 245 HA TRP 32 HA TRP 32 -8.029 4.866 6.636 246 HB2 TRP 32 HB2 TRP 32 -9.737 2.921 5.711 247 HB3 TRP 32 HB1 TRP 32 -10.526 3.437 7.203 248 HD1 TRP 32 HD1 TRP 32 -11.982 5.576 6.998 249 HE1 TRP 32 HE1 TRP 32 -12.189 7.465 5.252 250 HE3 TRP 32 HE3 TRP 32 -8.203 4.202 4.017 251 HZ2 TRP 32 HZ2 TRP 32 -10.863 8.260 2.861 252 HZ3 TRP 32 HZ3 TRP 32 -7.666 5.561 1.968 253 HH2 TRP 32 HH2 TRP 32 -8.990 7.550 1.423 254 H ALA 33 HN ALA 33 -7.539 2.441 8.809 255 HA ALA 33 HA ALA 33 -9.100 3.452 11.007 256 HB1 ALA 33 HB1 ALA 33 -8.825 1.045 10.678 257 HB2 ALA 33 HB2 ALA 33 -8.225 1.577 12.250 258 HB3 ALA 33 HB3 ALA 33 -7.091 1.214 10.948 259 H PHE 34 HN PHE 34 -5.768 3.628 9.880 260 HA PHE 34 HA PHE 34 -4.882 4.627 12.416 261 HB2 PHE 34 HB2 PHE 34 -2.670 4.795 11.421 262 HB3 PHE 34 HB1 PHE 34 -3.374 3.295 10.868 263 HD1 PHE 34 HD1 PHE 34 -2.822 6.824 9.814 264 HD2 PHE 34 HD2 PHE 34 -3.290 2.771 8.630 265 HE1 PHE 34 HE1 PHE 34 -2.248 7.443 7.529 266 HE2 PHE 34 HE2 PHE 34 -2.718 3.392 6.318 267 HZ PHE 34 HZ PHE 34 -2.218 5.745 5.764 268 HA PRO 35 HA PRO 35 -5.892 8.855 11.740 269 HB2 PRO 35 HB2 PRO 35 -3.666 10.174 12.685 270 HB3 PRO 35 HB1 PRO 35 -4.939 9.518 13.720 271 HG2 PRO 35 HG2 PRO 35 -2.265 8.371 13.048 272 HG3 PRO 35 HG1 PRO 35 -3.140 8.346 14.588 273 HD2 PRO 35 HD2 PRO 35 -3.028 6.205 12.947 274 HD3 PRO 35 HD1 PRO 35 -4.438 6.547 13.965 275 H LEU 36 HN LEU 36 -6.006 9.400 9.683 276 HA LEU 36 HA LEU 36 -3.790 9.321 7.902 277 HB2 LEU 36 HB2 LEU 36 -6.421 10.708 7.557 278 HB3 LEU 36 HB1 LEU 36 -5.296 10.328 6.280 279 HG LEU 36 HG LEU 36 -6.964 8.352 7.849 280 HD11 LEU 36 HD11 LEU 36 -6.909 9.087 4.948 281 HD12 LEU 36 HD12 LEU 36 -8.178 9.527 6.106 282 HD13 LEU 36 HD13 LEU 36 -7.905 7.830 5.670 283 HD21 LEU 36 HD21 LEU 36 -5.984 6.634 6.411 284 HD22 LEU 36 HD22 LEU 36 -4.789 7.397 7.453 285 HD23 LEU 36 HD23 LEU 36 -4.873 7.834 5.744 286 H GLU 37 HN GLU 37 -2.643 10.984 7.114 287 HA GLU 37 HA GLU 37 -2.583 13.299 8.845 288 HB2 GLU 37 HB2 GLU 37 -0.614 12.374 6.761 289 HB3 GLU 37 HB1 GLU 37 -0.335 13.621 7.984 290 HG2 GLU 37 HG2 GLU 37 -0.710 11.954 9.745 291 HG3 GLU 37 HG1 GLU 37 -0.936 10.735 8.511 292 H ASP 38 HN ASP 38 -1.452 15.199 7.271 293 HA ASP 38 HA ASP 38 -3.586 16.667 6.440 294 HB2 ASP 38 HB2 ASP 38 -1.290 17.535 6.836 295 HB3 ASP 38 HB1 ASP 38 -0.820 16.889 5.275 296 H VAL 39 HN VAL 39 -1.325 15.216 4.115 297 HA VAL 39 HA VAL 39 -3.218 15.760 2.003 298 HB VAL 39 HB VAL 39 -0.765 16.113 1.695 299 HG11 VAL 39 HG11 VAL 39 -0.559 13.139 1.663 300 HG12 VAL 39 HG12 VAL 39 0.122 14.234 2.868 301 HG13 VAL 39 HG13 VAL 39 0.715 14.266 1.210 302 HG21 VAL 39 HG21 VAL 39 -0.588 15.213 -0.575 303 HG22 VAL 39 HG22 VAL 39 -2.167 15.937 -0.273 304 HG23 VAL 39 HG23 VAL 39 -1.985 14.182 -0.264 305 H LEU 40 HN LEU 40 -2.900 13.314 4.142 306 HA LEU 40 HA LEU 40 -3.649 11.160 2.342 307 HB2 LEU 40 HB2 LEU 40 -3.074 11.253 5.270 308 HB3 LEU 40 HB1 LEU 40 -3.938 9.897 4.589 309 HG LEU 40 HG LEU 40 -2.006 9.369 3.168 310 HD11 LEU 40 HD11 LEU 40 -0.644 11.639 4.596 311 HD12 LEU 40 HD12 LEU 40 -1.082 11.575 2.884 312 HD13 LEU 40 HD13 LEU 40 0.131 10.466 3.521 313 HD21 LEU 40 HD21 LEU 40 -2.241 8.348 5.335 314 HD22 LEU 40 HD22 LEU 40 -1.370 9.691 6.079 315 HD23 LEU 40 HD23 LEU 40 -0.541 8.618 4.951 316 H GLN 41 HN GLN 41 -5.146 13.176 4.800 317 HA GLN 41 HA GLN 41 -7.602 11.734 4.477 318 HB2 GLN 41 HB2 GLN 41 -7.080 12.730 6.682 319 HB3 GLN 41 HB1 GLN 41 -7.091 14.323 5.921 320 HG2 GLN 41 HG2 GLN 41 -9.423 14.194 5.476 321 HG3 GLN 41 HG1 GLN 41 -9.482 12.507 5.971 322 HE21 GLN 41 HE21 GLN 41 -10.942 14.857 6.939 323 HE22 GLN 41 HE22 GLN 41 -10.632 14.915 8.631 324 H LYS 42 HN LYS 42 -7.831 11.869 2.389 325 HA LYS 42 HA LYS 42 -9.637 13.604 1.358 326 HB2 LYS 42 HB2 LYS 42 -8.484 15.038 -0.211 327 HB3 LYS 42 HB1 LYS 42 -7.731 15.293 1.354 328 HG2 LYS 42 HG2 LYS 42 -5.884 13.854 0.691 329 HG3 LYS 42 HG1 LYS 42 -6.637 13.583 -0.876 330 HD2 LYS 42 HD2 LYS 42 -6.589 16.139 -1.112 331 HD3 LYS 42 HD1 LYS 42 -5.459 16.108 0.245 332 HE2 LYS 42 HE2 LYS 42 -4.090 16.064 -1.682 333 HE3 LYS 42 HE1 LYS 42 -4.163 14.399 -1.094 334 HZ1 LYS 42 HZ1 LYS 42 -5.789 15.477 -3.316 335 HZ2 LYS 42 HZ2 LYS 42 -5.823 13.889 -2.787 336 HZ3 LYS 42 HZ3 LYS 42 -4.428 14.516 -3.476 337 H THR 43 HN THR 43 -7.064 11.309 1.072 338 HA THR 43 HA THR 43 -6.878 10.406 -1.381 339 HB THR 43 HB THR 43 -7.212 8.673 1.086 340 HG1 THR 43 HG1 THR 43 -5.530 9.793 1.628 341 HG21 THR 43 HG21 THR 43 -7.210 7.356 -1.007 342 HG22 THR 43 HG22 THR 43 -5.728 7.103 -0.077 343 HG23 THR 43 HG23 THR 43 -5.715 8.158 -1.489 344 HA PRO 44 HA PRO 44 -11.088 9.786 -2.650 345 HB2 PRO 44 HB2 PRO 44 -10.412 8.456 -5.003 346 HB3 PRO 44 HB1 PRO 44 -10.582 10.203 -4.812 347 HG2 PRO 44 HG2 PRO 44 -8.117 8.524 -4.778 348 HG3 PRO 44 HG1 PRO 44 -8.356 10.137 -5.465 349 HD2 PRO 44 HD2 PRO 44 -7.059 9.811 -3.177 350 HD3 PRO 44 HD1 PRO 44 -8.142 11.176 -3.381 351 H TRP 45 HN TRP 45 -12.018 8.335 -1.318 352 HA TRP 45 HA TRP 45 -11.336 5.580 -1.156 353 HB2 TRP 45 HB2 TRP 45 -12.515 6.716 0.693 354 HB3 TRP 45 HB1 TRP 45 -13.891 7.034 -0.351 355 HD1 TRP 45 HD1 TRP 45 -15.408 4.892 -1.012 356 HE1 TRP 45 HE1 TRP 45 -15.889 2.697 0.264 357 HE3 TRP 45 HE3 TRP 45 -11.490 4.970 2.243 358 HZ2 TRP 45 HZ2 TRP 45 -14.745 1.204 2.340 359 HZ3 TRP 45 HZ3 TRP 45 -11.248 3.117 3.837 360 HH2 TRP 45 HH2 TRP 45 -12.841 1.274 3.887 361 H SER 46 HN SER 46 -13.476 7.438 -3.238 362 HA SER 46 HA SER 46 -14.798 5.167 -4.286 363 HB2 SER 46 HB2 SER 46 -14.495 7.935 -5.475 364 HB3 SER 46 HB1 SER 46 -15.654 6.709 -5.991 365 HG SER 46 HG SER 46 -16.569 6.745 -3.963 366 H GLU 47 HN GLU 47 -11.683 6.211 -4.618 367 HA GLU 47 HA GLU 47 -11.292 4.752 -7.086 368 HB2 GLU 47 HB2 GLU 47 -9.478 6.320 -5.270 369 HB3 GLU 47 HB1 GLU 47 -8.807 5.156 -6.397 370 HG2 GLU 47 HG2 GLU 47 -10.538 7.481 -7.170 371 HG3 GLU 47 HG1 GLU 47 -8.772 7.465 -7.224 372 H VAL 48 HN VAL 48 -10.411 4.663 -3.666 373 HA VAL 48 HA VAL 48 -8.974 2.288 -3.734 374 HB VAL 48 HB VAL 48 -8.794 2.322 -1.433 375 HG11 VAL 48 HG11 VAL 48 -8.575 4.571 -0.637 376 HG12 VAL 48 HG12 VAL 48 -9.378 5.129 -2.103 377 HG13 VAL 48 HG13 VAL 48 -7.832 4.263 -2.210 378 HG21 VAL 48 HG21 VAL 48 -11.499 3.612 -1.185 379 HG22 VAL 48 HG22 VAL 48 -10.383 3.373 0.161 380 HG23 VAL 48 HG23 VAL 48 -11.025 1.981 -0.711 381 H GLU 49 HN GLU 49 -12.432 2.773 -3.349 382 HA GLU 49 HA GLU 49 -13.103 0.388 -2.085 383 HB2 GLU 49 HB2 GLU 49 -14.478 2.566 -2.851 384 HB3 GLU 49 HB1 GLU 49 -15.082 1.339 -3.968 385 HG2 GLU 49 HG2 GLU 49 -14.839 0.940 -1.065 386 HG3 GLU 49 HG1 GLU 49 -16.332 1.523 -1.799 387 H GLU 50 HN GLU 50 -13.294 1.114 -5.555 388 HA GLU 50 HA GLU 50 -13.634 -1.696 -5.885 389 HB2 GLU 50 HB2 GLU 50 -13.953 0.542 -7.853 390 HB3 GLU 50 HB1 GLU 50 -14.099 -1.154 -8.285 391 HG2 GLU 50 HG2 GLU 50 -15.920 -1.363 -6.614 392 HG3 GLU 50 HG1 GLU 50 -15.828 0.372 -6.335 393 H ALA 51 HN ALA 51 -11.074 -0.015 -5.494 394 HA ALA 51 HA ALA 51 -9.445 -0.802 -7.782 395 HB1 ALA 51 HB1 ALA 51 -8.662 0.494 -5.192 396 HB2 ALA 51 HB2 ALA 51 -9.007 1.340 -6.703 397 HB3 ALA 51 HB3 ALA 51 -7.618 0.255 -6.590 398 H ASP 52 HN ASP 52 -8.020 -2.349 -7.835 399 HA ASP 52 HA ASP 52 -7.507 -3.806 -5.385 400 HB2 ASP 52 HB2 ASP 52 -7.784 -5.913 -6.358 401 HB3 ASP 52 HB1 ASP 52 -9.183 -4.997 -6.877 402 H GLY 53 HN GLY 53 -5.478 -4.801 -5.369 403 HA2 GLY 53 HA2 GLY 53 -3.225 -4.874 -5.683 404 HA3 GLY 53 HA1 GLY 53 -3.712 -5.264 -7.317 405 H LYS 54 HN LYS 54 -3.269 -3.954 -8.904 406 HA LYS 54 HA LYS 54 -1.189 -2.035 -8.672 407 HB2 LYS 54 HB2 LYS 54 -1.739 -3.477 -10.668 408 HB3 LYS 54 HB1 LYS 54 -3.043 -2.345 -11.007 409 HG2 LYS 54 HG2 LYS 54 -0.902 -0.705 -10.594 410 HG3 LYS 54 HG1 LYS 54 -0.174 -2.056 -11.436 411 HD2 LYS 54 HD2 LYS 54 -0.830 -0.597 -13.146 412 HD3 LYS 54 HD1 LYS 54 -2.148 -1.773 -13.084 413 HE2 LYS 54 HE2 LYS 54 -3.206 0.384 -13.134 414 HE3 LYS 54 HE1 LYS 54 -3.248 -0.285 -11.476 415 HZ1 LYS 54 HZ1 LYS 54 -2.619 2.151 -11.623 416 HZ2 LYS 54 HZ2 LYS 54 -1.183 1.616 -12.324 417 HZ3 LYS 54 HZ3 LYS 54 -1.554 1.144 -10.771 418 H LYS 55 HN LYS 55 -4.653 -1.758 -8.910 419 HA LYS 55 HA LYS 55 -4.517 0.957 -9.500 420 HB2 LYS 55 HB2 LYS 55 -6.708 -0.888 -8.787 421 HB3 LYS 55 HB1 LYS 55 -7.023 0.813 -8.520 422 HG2 LYS 55 HG2 LYS 55 -6.121 -0.367 -11.123 423 HG3 LYS 55 HG1 LYS 55 -7.814 -0.073 -10.716 424 HD2 LYS 55 HD2 LYS 55 -5.633 2.034 -10.920 425 HD3 LYS 55 HD1 LYS 55 -6.897 1.736 -12.111 426 HE2 LYS 55 HE2 LYS 55 -8.607 2.338 -10.425 427 HE3 LYS 55 HE1 LYS 55 -7.328 2.664 -9.260 428 HZ1 LYS 55 HZ1 LYS 55 -6.484 4.383 -10.765 429 HZ2 LYS 55 HZ2 LYS 55 -8.056 4.702 -10.227 430 HZ3 LYS 55 HZ3 LYS 55 -7.805 4.121 -11.797 431 H LEU 56 HN LEU 56 -4.786 -0.911 -6.557 432 HA LEU 56 HA LEU 56 -5.461 1.280 -4.905 433 HB2 LEU 56 HB2 LEU 56 -5.859 -1.129 -4.330 434 HB3 LEU 56 HB1 LEU 56 -4.144 -1.291 -4.081 435 HG LEU 56 HG LEU 56 -4.239 0.414 -2.287 436 HD11 LEU 56 HD11 LEU 56 -6.413 1.023 -1.334 437 HD12 LEU 56 HD12 LEU 56 -7.219 0.238 -2.688 438 HD13 LEU 56 HD13 LEU 56 -6.199 1.651 -2.965 439 HD21 LEU 56 HD21 LEU 56 -6.071 -1.936 -1.912 440 HD22 LEU 56 HD22 LEU 56 -5.308 -1.006 -0.619 441 HD23 LEU 56 HD23 LEU 56 -4.317 -1.945 -1.735 442 H ALA 57 HN ALA 57 -2.454 -0.274 -5.788 443 HA ALA 57 HA ALA 57 -0.622 1.058 -4.148 444 HB1 ALA 57 HB1 ALA 57 -0.285 0.182 -7.013 445 HB2 ALA 57 HB2 ALA 57 -0.030 -0.827 -5.589 446 HB3 ALA 57 HB3 ALA 57 1.024 0.553 -5.894 447 H GLU 58 HN GLU 58 -2.122 1.980 -7.101 448 HA GLU 58 HA GLU 58 -0.637 4.276 -7.801 449 HB2 GLU 58 HB2 GLU 58 -1.975 2.947 -9.331 450 HB3 GLU 58 HB1 GLU 58 -3.417 3.297 -8.416 451 HG2 GLU 58 HG2 GLU 58 -3.195 5.664 -9.093 452 HG3 GLU 58 HG1 GLU 58 -1.832 5.189 -10.121 453 H ILE 59 HN ILE 59 -3.475 3.714 -5.851 454 HA ILE 59 HA ILE 59 -4.122 6.459 -5.553 455 HB ILE 59 HB ILE 59 -5.073 4.073 -3.927 456 HG12 ILE 59 HG12 ILE 59 -6.511 5.426 -6.170 457 HG13 ILE 59 HG11 ILE 59 -5.337 4.152 -6.495 458 HG21 ILE 59 HG21 ILE 59 -5.528 6.226 -2.828 459 HG22 ILE 59 HG22 ILE 59 -7.030 5.560 -3.488 460 HG23 ILE 59 HG23 ILE 59 -6.194 6.858 -4.329 461 HD11 ILE 59 HD11 ILE 59 -6.704 2.670 -5.046 462 HD12 ILE 59 HD12 ILE 59 -7.549 3.238 -6.466 463 HD13 ILE 59 HD13 ILE 59 -7.882 3.970 -4.887 464 H LEU 60 HN LEU 60 -2.451 4.000 -3.659 465 HA LEU 60 HA LEU 60 -1.931 5.499 -1.341 466 HB2 LEU 60 HB2 LEU 60 -0.642 3.117 -2.575 467 HB3 LEU 60 HB1 LEU 60 0.283 3.988 -1.381 468 HG LEU 60 HG LEU 60 -0.777 2.096 -0.366 469 HD11 LEU 60 HD11 LEU 60 -2.130 4.627 0.526 470 HD12 LEU 60 HD12 LEU 60 -0.536 4.057 1.007 471 HD13 LEU 60 HD13 LEU 60 -1.971 3.140 1.459 472 HD21 LEU 60 HD21 LEU 60 -3.209 1.855 -0.211 473 HD22 LEU 60 HD22 LEU 60 -2.643 1.773 -1.876 474 HD23 LEU 60 HD23 LEU 60 -3.411 3.249 -1.278 475 H VAL 61 HN VAL 61 -0.060 5.229 -4.360 476 HA VAL 61 HA VAL 61 2.014 6.885 -3.265 477 HB VAL 61 HB VAL 61 2.391 5.011 -4.910 478 HG11 VAL 61 HG11 VAL 61 2.137 5.427 -7.288 479 HG12 VAL 61 HG12 VAL 61 1.319 6.945 -6.914 480 HG13 VAL 61 HG13 VAL 61 0.596 5.410 -6.424 481 HG21 VAL 61 HG21 VAL 61 4.175 6.597 -4.481 482 HG22 VAL 61 HG22 VAL 61 3.524 7.690 -5.706 483 HG23 VAL 61 HG23 VAL 61 4.173 6.117 -6.179 484 H ASN 62 HN ASN 62 -0.964 7.551 -4.459 485 HA ASN 62 HA ASN 62 -0.430 9.970 -5.894 486 HB2 ASN 62 HB2 ASN 62 -2.508 8.593 -6.209 487 HB3 ASN 62 HB1 ASN 62 -3.022 9.042 -4.598 488 HD21 ASN 62 HD21 ASN 62 -4.365 9.430 -7.072 489 HD22 ASN 62 HD22 ASN 62 -4.633 11.111 -7.299 490 H THR 63 HN THR 63 -1.346 9.121 -2.567 491 HA THR 63 HA THR 63 -1.169 11.969 -1.908 492 HB THR 63 HB THR 63 -2.481 11.345 0.152 493 HG1 THR 63 HG1 THR 63 -3.676 9.305 -0.155 494 HG21 THR 63 HG21 THR 63 -3.762 10.776 -2.533 495 HG22 THR 63 HG22 THR 63 -3.566 12.366 -1.793 496 HG23 THR 63 HG23 THR 63 -4.628 11.172 -1.050 497 H SER 64 HN SER 64 -0.011 8.783 -0.899 498 HA SER 64 HA SER 64 1.348 10.004 1.344 499 HB2 SER 64 HB2 SER 64 1.158 7.123 0.498 500 HB3 SER 64 HB1 SER 64 1.727 7.728 2.061 501 HG SER 64 HG SER 64 -0.796 8.487 1.136 502 H SER 65 HN SER 65 3.563 9.964 1.635 503 HA SER 65 HA SER 65 5.214 10.093 -0.668 504 HB2 SER 65 HB2 SER 65 5.671 11.523 1.241 505 HB3 SER 65 HB1 SER 65 5.818 10.125 2.297 506 HG SER 65 HG SER 65 7.613 10.396 0.086 507 H GLU 66 HN GLU 66 6.721 8.690 -1.341 508 HA GLU 66 HA GLU 66 6.260 5.971 -1.165 509 HB2 GLU 66 HB2 GLU 66 8.451 5.694 -2.254 510 HB3 GLU 66 HB1 GLU 66 7.375 6.800 -3.107 511 HG2 GLU 66 HG2 GLU 66 9.700 7.543 -1.336 512 HG3 GLU 66 HG1 GLU 66 9.749 7.479 -3.099 513 H ASN 67 HN ASN 67 8.499 7.947 0.673 514 HA ASN 67 HA ASN 67 9.823 5.670 1.848 515 HB2 ASN 67 HB2 ASN 67 10.921 7.918 1.483 516 HB3 ASN 67 HB1 ASN 67 9.891 8.558 2.758 517 HD21 ASN 67 HD21 ASN 67 11.566 9.076 4.100 518 HD22 ASN 67 HD22 ASN 67 12.536 7.891 4.904 519 H TRP 68 HN TRP 68 6.943 7.291 2.387 520 HA TRP 68 HA TRP 68 6.817 6.557 5.197 521 HB2 TRP 68 HB2 TRP 68 6.040 8.812 4.377 522 HB3 TRP 68 HB1 TRP 68 4.773 7.992 3.480 523 HD1 TRP 68 HD1 TRP 68 5.785 8.998 7.010 524 HE1 TRP 68 HE1 TRP 68 3.735 8.744 8.556 525 HE3 TRP 68 HE3 TRP 68 2.605 6.649 3.786 526 HZ2 TRP 68 HZ2 TRP 68 1.156 7.700 8.427 527 HZ3 TRP 68 HZ3 TRP 68 0.367 6.056 4.583 528 HH2 TRP 68 HH2 TRP 68 -0.335 6.567 6.856 529 H ILE 69 HN ILE 69 5.339 5.847 2.054 530 HA ILE 69 HA ILE 69 3.354 4.052 2.931 531 HB ILE 69 HB ILE 69 4.771 3.835 0.247 532 HG12 ILE 69 HG12 ILE 69 2.301 5.428 0.887 533 HG13 ILE 69 HG11 ILE 69 3.901 6.153 0.741 534 HG21 ILE 69 HG21 ILE 69 1.956 3.107 1.116 535 HG22 ILE 69 HG22 ILE 69 3.263 1.960 0.882 536 HG23 ILE 69 HG23 ILE 69 2.631 2.871 -0.496 537 HD11 ILE 69 HD11 ILE 69 2.394 4.690 -1.421 538 HD12 ILE 69 HD12 ILE 69 4.006 5.387 -1.584 539 HD13 ILE 69 HD13 ILE 69 2.619 6.434 -1.290 540 H ARG 70 HN ARG 70 6.798 3.618 2.375 541 HA ARG 70 HA ARG 70 6.746 0.789 2.271 542 HB2 ARG 70 HB2 ARG 70 9.212 0.917 2.533 543 HB3 ARG 70 HB1 ARG 70 8.607 2.026 1.311 544 HG2 ARG 70 HG2 ARG 70 8.793 3.865 2.841 545 HG3 ARG 70 HG1 ARG 70 9.376 2.775 4.099 546 HD2 ARG 70 HD2 ARG 70 11.164 4.005 2.963 547 HD3 ARG 70 HD1 ARG 70 11.334 2.252 2.816 548 HE ARG 70 HE ARG 70 10.226 2.650 0.536 549 HH11 ARG 70 HH11 ARG 70 12.404 5.045 2.045 550 HH12 ARG 70 HH12 ARG 70 13.067 5.564 0.569 551 HH21 ARG 70 HH21 ARG 70 11.138 3.473 -1.542 552 HH22 ARG 70 HH22 ARG 70 12.321 4.681 -1.479 553 H ASN 71 HN ASN 71 6.062 2.763 4.771 554 HA ASN 71 HA ASN 71 6.654 0.627 6.689 555 HB2 ASN 71 HB2 ASN 71 7.553 2.816 7.398 556 HB3 ASN 71 HB1 ASN 71 5.957 3.536 7.219 557 HD21 ASN 71 HD21 ASN 71 4.433 3.204 8.820 558 HD22 ASN 71 HD22 ASN 71 4.789 2.428 10.316 559 H ALA 72 HN ALA 72 4.228 2.905 5.554 560 HA ALA 72 HA ALA 72 2.028 2.210 7.009 561 HB1 ALA 72 HB1 ALA 72 0.689 3.168 5.269 562 HB2 ALA 72 HB2 ALA 72 1.991 2.961 4.108 563 HB3 ALA 72 HB3 ALA 72 2.175 4.106 5.439 564 H THR 73 HN THR 73 2.781 0.859 3.753 565 HA THR 73 HA THR 73 0.546 -0.881 3.802 566 HB THR 73 HB THR 73 1.657 -0.205 1.642 567 HG1 THR 73 HG1 THR 73 1.165 -2.885 2.297 568 HG21 THR 73 HG21 THR 73 3.679 -1.392 0.899 569 HG22 THR 73 HG22 THR 73 3.812 -2.152 2.485 570 HG23 THR 73 HG23 THR 73 4.005 -0.407 2.326 571 H VAL 74 HN VAL 74 3.785 -1.182 4.876 572 HA VAL 74 HA VAL 74 3.921 -3.969 5.128 573 HB VAL 74 HB VAL 74 5.452 -1.739 6.492 574 HG11 VAL 74 HG11 VAL 74 5.554 -3.785 7.838 575 HG12 VAL 74 HG12 VAL 74 7.106 -3.402 7.092 576 HG13 VAL 74 HG13 VAL 74 6.096 -4.684 6.419 577 HG21 VAL 74 HG21 VAL 74 5.733 -1.829 4.075 578 HG22 VAL 74 HG22 VAL 74 6.145 -3.537 4.171 579 HG23 VAL 74 HG23 VAL 74 7.213 -2.332 4.890 580 H ASN 75 HN ASN 75 3.121 -1.373 7.388 581 HA ASN 75 HA ASN 75 2.731 -2.998 9.677 582 HB2 ASN 75 HB2 ASN 75 3.066 -0.490 9.626 583 HB3 ASN 75 HB1 ASN 75 1.402 -0.350 9.094 584 HD21 ASN 75 HD21 ASN 75 2.693 -2.632 11.474 585 HD22 ASN 75 HD22 ASN 75 1.778 -2.021 12.802 586 H ILE 76 HN ILE 76 0.559 -1.940 7.124 587 HA ILE 76 HA ILE 76 -1.823 -2.929 8.328 588 HB ILE 76 HB ILE 76 -1.319 -2.733 5.339 589 HG12 ILE 76 HG12 ILE 76 -0.853 -0.558 6.424 590 HG13 ILE 76 HG11 ILE 76 -2.304 -0.482 5.437 591 HG21 ILE 76 HG21 ILE 76 -3.778 -2.471 5.226 592 HG22 ILE 76 HG22 ILE 76 -3.850 -2.718 6.977 593 HG23 ILE 76 HG23 ILE 76 -3.292 -4.016 5.928 594 HD11 ILE 76 HD11 ILE 76 -2.216 -0.727 8.440 595 HD12 ILE 76 HD12 ILE 76 -3.677 -0.635 7.444 596 HD13 ILE 76 HD13 ILE 76 -2.570 0.732 7.513 597 H LEU 77 HN LEU 77 0.495 -4.381 6.091 598 HA LEU 77 HA LEU 77 -0.683 -6.914 5.862 599 HB2 LEU 77 HB2 LEU 77 2.155 -5.951 5.682 600 HB3 LEU 77 HB1 LEU 77 1.767 -7.655 5.591 601 HG LEU 77 HG LEU 77 0.191 -6.053 3.727 602 HD11 LEU 77 HD11 LEU 77 3.208 -6.262 3.413 603 HD12 LEU 77 HD12 LEU 77 2.309 -4.758 3.627 604 HD13 LEU 77 HD13 LEU 77 2.091 -5.716 2.164 605 HD21 LEU 77 HD21 LEU 77 0.924 -7.811 2.217 606 HD22 LEU 77 HD22 LEU 77 0.255 -8.450 3.719 607 HD23 LEU 77 HD23 LEU 77 2.001 -8.430 3.466 608 H GLU 78 HN GLU 78 1.555 -5.603 8.248 609 HA GLU 78 HA GLU 78 1.961 -7.903 9.787 610 HB2 GLU 78 HB2 GLU 78 1.872 -5.017 10.645 611 HB3 GLU 78 HB1 GLU 78 2.486 -6.297 11.658 612 HG2 GLU 78 HG2 GLU 78 4.202 -6.748 9.914 613 HG3 GLU 78 HG1 GLU 78 3.613 -5.324 9.056 614 H GLU 79 HN GLU 79 -0.531 -5.415 9.970 615 HA GLU 79 HA GLU 79 -1.842 -6.401 12.251 616 HB2 GLU 79 HB2 GLU 79 -2.170 -4.103 11.169 617 HB3 GLU 79 HB1 GLU 79 -3.150 -4.910 9.969 618 HG2 GLU 79 HG2 GLU 79 -4.525 -3.882 11.673 619 HG3 GLU 79 HG1 GLU 79 -4.726 -5.636 11.659 620 H MET 80 HN MET 80 -2.126 -7.195 8.838 621 HA MET 80 HA MET 80 -4.402 -8.934 9.233 622 HB2 MET 80 HB2 MET 80 -2.622 -8.546 6.823 623 HB3 MET 80 HB1 MET 80 -4.046 -9.573 6.853 624 HG2 MET 80 HG2 MET 80 -5.425 -7.592 7.354 625 HG3 MET 80 HG1 MET 80 -3.980 -6.592 7.251 626 HE1 MET 80 HE1 MET 80 -5.811 -8.881 3.679 627 HE2 MET 80 HE2 MET 80 -6.469 -8.915 5.316 628 HE3 MET 80 HE3 MET 80 -4.924 -9.693 4.964 629 H ASN 81 HN ASN 81 -1.317 -9.224 10.072 630 HA ASN 81 HA ASN 81 0.044 -10.858 10.777 631 HB2 ASN 81 HB2 ASN 81 -2.214 -11.799 11.711 632 HB3 ASN 81 HB1 ASN 81 -2.202 -12.847 10.314 633 HD21 ASN 81 HD21 ASN 81 -1.125 -14.622 10.435 634 HD22 ASN 81 HD22 ASN 81 -0.089 -15.139 11.726 635 H LEU 82 HN LEU 82 -0.149 -10.077 8.072 636 HA LEU 82 HA LEU 82 0.611 -12.421 6.521 637 HB2 LEU 82 HB2 LEU 82 0.133 -9.525 5.851 638 HB3 LEU 82 HB1 LEU 82 0.775 -10.668 4.684 639 HG LEU 82 HG LEU 82 -1.941 -10.908 6.004 640 HD11 LEU 82 HD11 LEU 82 -1.817 -8.923 4.547 641 HD12 LEU 82 HD12 LEU 82 -2.829 -10.176 3.836 642 HD13 LEU 82 HD13 LEU 82 -1.197 -9.920 3.231 643 HD21 LEU 82 HD21 LEU 82 -0.692 -12.267 3.659 644 HD22 LEU 82 HD22 LEU 82 -2.326 -12.561 4.277 645 HD23 LEU 82 HD23 LEU 82 -0.902 -12.999 5.248 646 H THR 83 HN THR 83 2.660 -12.956 7.157 647 HA THR 83 HA THR 83 4.646 -10.802 7.321 648 HB THR 83 HB THR 83 6.137 -12.776 8.044 649 HG1 THR 83 HG1 THR 83 3.930 -13.989 9.101 650 HG21 THR 83 HG21 THR 83 5.437 -10.997 9.552 651 HG22 THR 83 HG22 THR 83 5.399 -12.558 10.371 652 HG23 THR 83 HG23 THR 83 3.891 -11.811 9.824 653 H GLU 84 HN GLU 84 3.957 -13.727 5.588 654 HA GLU 84 HA GLU 84 6.236 -14.225 4.238 655 HB2 GLU 84 HB2 GLU 84 4.772 -15.120 2.372 656 HB3 GLU 84 HB1 GLU 84 4.453 -15.735 3.991 657 HG2 GLU 84 HG2 GLU 84 2.523 -14.181 4.156 658 HG3 GLU 84 HG1 GLU 84 2.857 -13.638 2.521 659 H LEU 85 HN LEU 85 3.751 -12.236 2.646 660 HA LEU 85 HA LEU 85 5.775 -11.310 0.837 661 HB2 LEU 85 HB2 LEU 85 4.062 -10.216 -0.450 662 HB3 LEU 85 HB1 LEU 85 3.574 -11.845 -0.076 663 HG LEU 85 HG LEU 85 2.491 -9.367 1.290 664 HD11 LEU 85 HD11 LEU 85 0.490 -9.769 -0.046 665 HD12 LEU 85 HD12 LEU 85 1.313 -11.081 -0.887 666 HD13 LEU 85 HD13 LEU 85 1.889 -9.422 -1.057 667 HD21 LEU 85 HD21 LEU 85 1.574 -12.252 1.365 668 HD22 LEU 85 HD22 LEU 85 0.695 -10.885 2.039 669 HD23 LEU 85 HD23 LEU 85 2.253 -11.337 2.717 670 H CYS 86 HN CYS 86 4.620 -10.225 3.765 671 HA CYS 86 HA CYS 86 5.002 -7.409 3.357 672 HB2 CYS 86 HB2 CYS 86 3.565 -8.233 5.097 673 HB3 CYS 86 HB1 CYS 86 4.913 -9.149 5.754 674 HG CYS 86 HG CYS 86 3.889 -6.438 6.957 675 H LYS 87 HN LYS 87 6.900 -10.077 4.573 676 HA LYS 87 HA LYS 87 9.226 -8.626 5.209 677 HB2 LYS 87 HB2 LYS 87 8.692 -11.506 4.540 678 HB3 LYS 87 HB1 LYS 87 10.282 -10.908 5.010 679 HG2 LYS 87 HG2 LYS 87 9.561 -10.347 7.175 680 HG3 LYS 87 HG1 LYS 87 7.854 -10.460 6.731 681 HD2 LYS 87 HD2 LYS 87 8.678 -12.354 8.109 682 HD3 LYS 87 HD1 LYS 87 8.031 -12.850 6.545 683 HE2 LYS 87 HE2 LYS 87 10.026 -14.050 6.957 684 HE3 LYS 87 HE1 LYS 87 10.261 -12.863 5.662 685 HZ1 LYS 87 HZ1 LYS 87 11.204 -12.532 8.476 686 HZ2 LYS 87 HZ2 LYS 87 11.334 -11.381 7.267 687 HZ3 LYS 87 HZ3 LYS 87 12.181 -12.819 7.124 688 H MET 88 HN MET 88 7.864 -9.778 2.296 689 HA MET 88 HA MET 88 10.185 -9.476 0.659 690 HB2 MET 88 HB2 MET 88 7.244 -9.470 -0.024 691 HB3 MET 88 HB1 MET 88 8.536 -9.413 -1.212 692 HG2 MET 88 HG2 MET 88 9.282 -11.580 -0.623 693 HG3 MET 88 HG1 MET 88 8.240 -11.603 0.800 694 HE1 MET 88 HE1 MET 88 7.187 -10.190 -2.689 695 HE2 MET 88 HE2 MET 88 6.504 -11.606 -3.476 696 HE3 MET 88 HE3 MET 88 8.239 -11.522 -3.171 697 H ALA 89 HN ALA 89 7.514 -7.429 1.705 698 HA ALA 89 HA ALA 89 8.189 -5.219 0.084 699 HB1 ALA 89 HB1 ALA 89 5.990 -5.461 1.206 700 HB2 ALA 89 HB2 ALA 89 6.730 -3.910 1.578 701 HB3 ALA 89 HB3 ALA 89 6.767 -5.216 2.765 702 H LYS 90 HN LYS 90 9.162 -6.320 3.254 703 HA LYS 90 HA LYS 90 10.801 -4.187 4.056 704 HB2 LYS 90 HB2 LYS 90 11.165 -7.154 4.518 705 HB3 LYS 90 HB1 LYS 90 12.100 -5.911 5.321 706 HG2 LYS 90 HG2 LYS 90 9.123 -6.294 5.570 707 HG3 LYS 90 HG1 LYS 90 10.331 -6.842 6.733 708 HD2 LYS 90 HD2 LYS 90 11.071 -4.419 6.887 709 HD3 LYS 90 HD1 LYS 90 9.608 -4.045 5.966 710 HE2 LYS 90 HE2 LYS 90 8.223 -5.042 7.686 711 HE3 LYS 90 HE1 LYS 90 9.651 -5.529 8.584 712 HZ1 LYS 90 HZ1 LYS 90 8.833 -2.718 8.061 713 HZ2 LYS 90 HZ2 LYS 90 10.191 -3.189 8.937 714 HZ3 LYS 90 HZ3 LYS 90 8.655 -3.545 9.512 715 H ALA 91 HN ALA 91 11.441 -6.988 2.014 716 HA ALA 91 HA ALA 91 14.207 -6.219 1.678 717 HB1 ALA 91 HB1 ALA 91 14.481 -8.380 0.609 718 HB2 ALA 91 HB2 ALA 91 12.731 -8.599 0.566 719 HB3 ALA 91 HB3 ALA 91 13.563 -8.578 2.106 720 H GLU 92 HN GLU 92 11.444 -5.334 0.164 721 HA GLU 92 HA GLU 92 12.902 -4.888 -2.362 722 HB2 GLU 92 HB2 GLU 92 10.083 -5.694 -2.018 723 HB3 GLU 92 HB1 GLU 92 10.704 -5.188 -3.589 724 HG2 GLU 92 HG2 GLU 92 12.461 -7.127 -2.951 725 HG3 GLU 92 HG1 GLU 92 11.127 -7.630 -1.942 726 H MET 93 HN MET 93 10.185 -3.734 -0.382 727 HA MET 93 HA MET 93 9.851 -1.453 -2.107 728 HB2 MET 93 HB2 MET 93 8.017 -2.712 -0.756 729 HB3 MET 93 HB1 MET 93 8.584 -1.712 0.575 730 HG2 MET 93 HG2 MET 93 8.359 0.217 -1.174 731 HG3 MET 93 HG1 MET 93 7.383 -0.998 -1.954 732 HE1 MET 93 HE1 MET 93 5.025 1.739 -0.250 733 HE2 MET 93 HE2 MET 93 5.782 1.257 -1.773 734 HE3 MET 93 HE3 MET 93 6.737 2.035 -0.515 735 H MET 94 HN MET 94 11.587 -2.236 0.720 736 HA MET 94 HA MET 94 11.804 0.483 1.589 737 HB2 MET 94 HB2 MET 94 13.285 -1.968 2.533 738 HB3 MET 94 HB1 MET 94 13.403 -0.360 3.243 739 HG2 MET 94 HG2 MET 94 11.061 -0.425 3.874 740 HG3 MET 94 HG1 MET 94 10.875 -1.980 3.066 741 HE1 MET 94 HE1 MET 94 13.948 -0.839 5.294 742 HE2 MET 94 HE2 MET 94 13.416 -1.396 6.880 743 HE3 MET 94 HE3 MET 94 12.559 -0.082 6.074 744 H GLU 95 HN GLU 95 12.438 1.099 -0.496 745 HA GLU 95 HA GLU 95 15.105 0.599 -1.399 746 HB2 GLU 95 HB2 GLU 95 13.277 1.121 -2.998 747 HB3 GLU 95 HB1 GLU 95 13.103 2.710 -2.273 748 HG2 GLU 95 HG2 GLU 95 15.486 3.151 -2.945 749 HG3 GLU 95 HG1 GLU 95 15.417 1.655 -3.868 750 H ASP 96 HN ASP 96 15.971 1.108 0.652 751 HA ASP 96 HA ASP 96 16.791 3.895 0.816 752 HB2 ASP 96 HB2 ASP 96 14.983 3.616 2.500 753 HB3 ASP 96 HB1 ASP 96 15.855 2.258 3.203 754 H GLY 97 HN GLY 97 18.818 3.981 2.259 755 HA2 GLY 97 HA2 GLY 97 20.939 3.086 2.697 756 HA3 GLY 97 HA1 GLY 97 20.308 1.490 2.267 757 H GLN 98 HN GLN 98 20.148 4.486 0.572 758 HA GLN 98 HA GLN 98 20.612 3.230 -1.926 759 HB2 GLN 98 HB2 GLN 98 20.378 6.135 -1.215 760 HB3 GLN 98 HB1 GLN 98 20.291 5.456 -2.834 761 HG2 GLN 98 HG2 GLN 98 18.362 4.831 -0.601 762 HG3 GLN 98 HG1 GLN 98 18.069 5.998 -1.885 763 HE21 GLN 98 HE21 GLN 98 18.440 2.630 -1.123 764 HE22 GLN 98 HE22 GLN 98 17.706 2.019 -2.551 Start of MODEL 3 1 H MET 3 HT1 MET 3 13.639 4.605 -3.326 2 HA MET 3 HA MET 3 14.562 3.664 -5.300 3 HB2 MET 3 HB2 MET 3 11.637 3.064 -4.840 4 HB3 MET 3 HB1 MET 3 12.623 2.131 -5.952 5 HG2 MET 3 HG2 MET 3 12.420 1.002 -3.817 6 HG3 MET 3 HG1 MET 3 14.088 1.469 -4.112 7 HE1 MET 3 HE1 MET 3 13.741 1.714 -0.203 8 HE2 MET 3 HE2 MET 3 14.646 1.003 -1.540 9 HE3 MET 3 HE3 MET 3 12.970 0.536 -1.267 10 H THR 4 HN THR 4 13.777 2.851 -7.624 11 HA THR 4 HA THR 4 13.689 5.139 -9.253 12 HB THR 4 HB THR 4 13.347 3.043 -10.907 13 HG1 THR 4 HG1 THR 4 14.441 1.253 -9.854 14 HG21 THR 4 HG21 THR 4 15.309 4.538 -10.850 15 HG22 THR 4 HG22 THR 4 15.814 2.850 -10.933 16 HG23 THR 4 HG23 THR 4 15.881 3.720 -9.400 17 H SER 5 HN SER 5 12.014 5.726 -10.736 18 HA SER 5 HA SER 5 9.459 5.654 -9.753 19 HB2 SER 5 HB2 SER 5 10.277 6.192 -12.602 20 HB3 SER 5 HB1 SER 5 8.776 6.698 -11.829 21 HG SER 5 HG SER 5 10.300 7.721 -10.221 22 HA PRO 6 HA PRO 6 8.121 2.139 -12.842 23 HB2 PRO 6 HB2 PRO 6 10.644 0.623 -13.211 24 HB3 PRO 6 HB1 PRO 6 9.395 1.017 -14.399 25 HG2 PRO 6 HG2 PRO 6 11.742 2.258 -14.468 26 HG3 PRO 6 HG1 PRO 6 10.242 3.154 -14.770 27 HD2 PRO 6 HD2 PRO 6 11.884 3.007 -12.268 28 HD3 PRO 6 HD1 PRO 6 11.177 4.431 -13.062 29 H GLN 7 HN GLN 7 10.751 1.563 -10.550 30 HA GLN 7 HA GLN 7 9.604 -0.913 -9.753 31 HB2 GLN 7 HB2 GLN 7 11.941 0.621 -8.695 32 HB3 GLN 7 HB1 GLN 7 11.344 -0.827 -7.888 33 HG2 GLN 7 HG2 GLN 7 12.232 -0.661 -10.736 34 HG3 GLN 7 HG1 GLN 7 13.217 -1.308 -9.411 35 HE21 GLN 7 HE21 GLN 7 10.680 -1.901 -11.666 36 HE22 GLN 7 HE22 GLN 7 10.398 -3.539 -11.237 37 H LEU 8 HN LEU 8 9.373 2.311 -8.896 38 HA LEU 8 HA LEU 8 8.768 2.547 -6.250 39 HB2 LEU 8 HB2 LEU 8 9.020 4.253 -8.133 40 HB3 LEU 8 HB1 LEU 8 7.328 4.033 -8.456 41 HG LEU 8 HG LEU 8 7.712 6.064 -7.225 42 HD11 LEU 8 HD11 LEU 8 6.287 5.814 -5.300 43 HD12 LEU 8 HD12 LEU 8 6.491 4.065 -5.355 44 HD13 LEU 8 HD13 LEU 8 5.641 4.886 -6.669 45 HD21 LEU 8 HD21 LEU 8 9.834 5.442 -6.246 46 HD22 LEU 8 HD22 LEU 8 9.005 4.373 -5.108 47 HD23 LEU 8 HD23 LEU 8 8.731 6.114 -5.056 48 H GLU 9 HN GLU 9 6.330 2.258 -8.853 49 HA GLU 9 HA GLU 9 4.339 1.659 -6.873 50 HB2 GLU 9 HB2 GLU 9 3.926 3.049 -8.871 51 HB3 GLU 9 HB1 GLU 9 4.102 1.625 -9.895 52 HG2 GLU 9 HG2 GLU 9 2.174 0.609 -8.618 53 HG3 GLU 9 HG1 GLU 9 1.953 2.172 -7.841 54 H TRP 10 HN TRP 10 6.522 -0.077 -8.844 55 HA TRP 10 HA TRP 10 5.111 -2.432 -9.322 56 HB2 TRP 10 HB2 TRP 10 7.170 -2.061 -10.557 57 HB3 TRP 10 HB1 TRP 10 8.100 -2.047 -9.059 58 HD1 TRP 10 HD1 TRP 10 6.322 -4.502 -11.425 59 HE1 TRP 10 HE1 TRP 10 7.146 -6.889 -10.917 60 HE3 TRP 10 HE3 TRP 10 9.171 -3.519 -7.310 61 HZ2 TRP 10 HZ2 TRP 10 8.800 -8.181 -8.999 62 HZ3 TRP 10 HZ3 TRP 10 10.336 -5.368 -6.195 63 HH2 TRP 10 HH2 TRP 10 10.159 -7.636 -7.005 64 H THR 11 HN THR 11 7.361 -1.778 -6.567 65 HA THR 11 HA THR 11 7.056 -4.384 -5.557 66 HB THR 11 HB THR 11 7.591 -1.988 -3.802 67 HG1 THR 11 HG1 THR 11 9.380 -3.463 -5.490 68 HG21 THR 11 HG21 THR 11 8.990 -3.627 -2.576 69 HG22 THR 11 HG22 THR 11 8.517 -4.870 -3.730 70 HG23 THR 11 HG23 THR 11 7.308 -4.146 -2.673 71 H LEU 12 HN LEU 12 5.230 -1.484 -5.023 72 HA LEU 12 HA LEU 12 3.687 -2.436 -2.916 73 HB2 LEU 12 HB2 LEU 12 3.344 -0.309 -4.935 74 HB3 LEU 12 HB1 LEU 12 2.025 -0.652 -3.831 75 HG LEU 12 HG LEU 12 3.632 -0.114 -1.950 76 HD11 LEU 12 HD11 LEU 12 5.596 1.205 -2.446 77 HD12 LEU 12 HD12 LEU 12 5.347 0.946 -4.171 78 HD13 LEU 12 HD13 LEU 12 5.728 -0.419 -3.121 79 HD21 LEU 12 HD21 LEU 12 3.466 2.312 -2.337 80 HD22 LEU 12 HD22 LEU 12 1.962 1.422 -2.615 81 HD23 LEU 12 HD23 LEU 12 2.930 1.970 -3.984 82 H GLN 13 HN GLN 13 3.053 -2.153 -6.446 83 HA GLN 13 HA GLN 13 0.513 -3.295 -6.389 84 HB2 GLN 13 HB2 GLN 13 0.703 -3.623 -8.855 85 HB3 GLN 13 HB1 GLN 13 1.281 -2.040 -8.352 86 HG2 GLN 13 HG2 GLN 13 3.440 -2.591 -8.628 87 HG3 GLN 13 HG1 GLN 13 3.116 -4.310 -8.864 88 HE21 GLN 13 HE21 GLN 13 0.901 -3.996 -10.618 89 HE22 GLN 13 HE22 GLN 13 1.456 -3.341 -12.111 90 H THR 14 HN THR 14 3.641 -4.817 -6.801 91 HA THR 14 HA THR 14 2.733 -7.366 -7.429 92 HB THR 14 HB THR 14 5.223 -6.574 -5.912 93 HG1 THR 14 HG1 THR 14 5.452 -5.554 -7.780 94 HG21 THR 14 HG21 THR 14 4.797 -9.012 -5.886 95 HG22 THR 14 HG22 THR 14 6.195 -8.587 -6.873 96 HG23 THR 14 HG23 THR 14 4.660 -8.992 -7.650 97 H LEU 15 HN LEU 15 3.101 -5.809 -4.283 98 HA LEU 15 HA LEU 15 2.545 -8.148 -2.735 99 HB2 LEU 15 HB2 LEU 15 2.285 -5.217 -2.084 100 HB3 LEU 15 HB1 LEU 15 2.169 -6.512 -0.912 101 HG LEU 15 HG LEU 15 4.656 -6.054 -2.556 102 HD11 LEU 15 HD11 LEU 15 5.578 -4.906 -0.607 103 HD12 LEU 15 HD12 LEU 15 4.017 -5.020 0.209 104 HD13 LEU 15 HD13 LEU 15 4.183 -4.036 -1.247 105 HD21 LEU 15 HD21 LEU 15 4.159 -7.528 0.043 106 HD22 LEU 15 HD22 LEU 15 5.701 -7.361 -0.762 107 HD23 LEU 15 HD23 LEU 15 4.407 -8.275 -1.533 108 H LEU 16 HN LEU 16 0.686 -5.407 -3.884 109 HA LEU 16 HA LEU 16 -1.750 -6.234 -2.665 110 HB2 LEU 16 HB2 LEU 16 -1.154 -4.122 -4.711 111 HB3 LEU 16 HB1 LEU 16 -2.718 -4.349 -3.948 112 HG LEU 16 HG LEU 16 -0.182 -3.717 -2.417 113 HD11 LEU 16 HD11 LEU 16 -1.049 -1.449 -2.197 114 HD12 LEU 16 HD12 LEU 16 -2.376 -1.848 -3.289 115 HD13 LEU 16 HD13 LEU 16 -0.709 -1.866 -3.868 116 HD21 LEU 16 HD21 LEU 16 -3.086 -3.663 -1.635 117 HD22 LEU 16 HD22 LEU 16 -1.747 -3.117 -0.634 118 HD23 LEU 16 HD23 LEU 16 -1.874 -4.821 -1.083 119 H GLU 17 HN GLU 17 -0.276 -6.929 -5.688 120 HA GLU 17 HA GLU 17 -2.696 -7.904 -6.880 121 HB2 GLU 17 HB2 GLU 17 0.206 -8.192 -7.661 122 HB3 GLU 17 HB1 GLU 17 -1.104 -8.874 -8.613 123 HG2 GLU 17 HG2 GLU 17 -2.021 -6.603 -8.970 124 HG3 GLU 17 HG1 GLU 17 -0.733 -5.907 -8.035 125 H GLN 18 HN GLN 18 -0.638 -8.995 -4.542 126 HA GLN 18 HA GLN 18 -1.299 -11.808 -4.911 127 HB2 GLN 18 HB2 GLN 18 0.417 -10.342 -2.912 128 HB3 GLN 18 HB1 GLN 18 0.018 -12.047 -2.736 129 HG2 GLN 18 HG2 GLN 18 1.158 -12.582 -4.765 130 HG3 GLN 18 HG1 GLN 18 1.380 -10.867 -5.128 131 HE21 GLN 18 HE21 GLN 18 2.916 -9.770 -4.154 132 HE22 GLN 18 HE22 GLN 18 4.185 -10.463 -3.187 133 H LEU 19 HN LEU 19 -1.667 -9.265 -2.459 134 HA LEU 19 HA LEU 19 -3.856 -10.772 -1.229 135 HB2 LEU 19 HB2 LEU 19 -3.606 -9.330 0.635 136 HB3 LEU 19 HB1 LEU 19 -1.968 -9.694 0.132 137 HG LEU 19 HG LEU 19 -2.611 -7.384 -1.226 138 HD11 LEU 19 HD11 LEU 19 -3.748 -7.128 1.518 139 HD12 LEU 19 HD12 LEU 19 -4.567 -7.087 -0.052 140 HD13 LEU 19 HD13 LEU 19 -3.441 -5.797 0.379 141 HD21 LEU 19 HD21 LEU 19 -1.089 -7.602 1.369 142 HD22 LEU 19 HD22 LEU 19 -1.079 -6.244 0.209 143 HD23 LEU 19 HD23 LEU 19 -0.471 -7.810 -0.287 144 H ASN 20 HN ASN 20 -5.871 -10.366 -2.120 145 HA ASN 20 HA ASN 20 -6.657 -7.661 -2.400 146 HB2 ASN 20 HB2 ASN 20 -7.084 -7.618 -4.899 147 HB3 ASN 20 HB1 ASN 20 -5.413 -7.596 -4.383 148 HD21 ASN 20 HD21 ASN 20 -4.296 -9.526 -4.401 149 HD22 ASN 20 HD22 ASN 20 -4.556 -10.720 -5.641 150 H GLU 21 HN GLU 21 -7.622 -10.771 -3.823 151 HA GLU 21 HA GLU 21 -10.248 -10.361 -4.443 152 HB2 GLU 21 HB2 GLU 21 -8.857 -12.425 -4.745 153 HB3 GLU 21 HB1 GLU 21 -9.247 -12.836 -3.084 154 HG2 GLU 21 HG2 GLU 21 -10.821 -14.014 -4.368 155 HG3 GLU 21 HG1 GLU 21 -11.623 -12.561 -3.734 156 H ASP 22 HN ASP 22 -9.274 -11.690 -1.304 157 HA ASP 22 HA ASP 22 -11.659 -10.383 -0.120 158 HB2 ASP 22 HB2 ASP 22 -11.902 -12.868 -0.498 159 HB3 ASP 22 HB1 ASP 22 -10.502 -13.094 0.537 160 H GLU 23 HN GLU 23 -8.621 -10.172 -0.379 161 HA GLU 23 HA GLU 23 -7.772 -10.124 2.432 162 HB2 GLU 23 HB2 GLU 23 -6.212 -9.585 -0.074 163 HB3 GLU 23 HB1 GLU 23 -5.568 -9.859 1.543 164 HG2 GLU 23 HG2 GLU 23 -7.262 -11.802 0.134 165 HG3 GLU 23 HG1 GLU 23 -5.497 -11.795 -0.090 166 H LEU 24 HN LEU 24 -8.303 -8.027 -0.342 167 HA LEU 24 HA LEU 24 -6.967 -5.738 0.655 168 HB2 LEU 24 HB2 LEU 24 -8.022 -6.486 -1.747 169 HB3 LEU 24 HB1 LEU 24 -9.227 -5.367 -1.180 170 HG LEU 24 HG LEU 24 -7.540 -3.595 -0.988 171 HD11 LEU 24 HD11 LEU 24 -5.313 -3.974 -1.971 172 HD12 LEU 24 HD12 LEU 24 -5.682 -5.690 -2.124 173 HD13 LEU 24 HD13 LEU 24 -5.565 -4.947 -0.529 174 HD21 LEU 24 HD21 LEU 24 -7.561 -4.988 -3.648 175 HD22 LEU 24 HD22 LEU 24 -7.161 -3.293 -3.364 176 HD23 LEU 24 HD23 LEU 24 -8.800 -3.877 -3.065 177 H LYS 25 HN LYS 25 -9.944 -7.184 1.290 178 HA LYS 25 HA LYS 25 -11.558 -5.051 2.069 179 HB2 LYS 25 HB2 LYS 25 -11.430 -7.900 3.023 180 HB3 LYS 25 HB1 LYS 25 -12.766 -6.794 3.337 181 HG2 LYS 25 HG2 LYS 25 -13.285 -6.659 1.013 182 HG3 LYS 25 HG1 LYS 25 -11.832 -7.568 0.589 183 HD2 LYS 25 HD2 LYS 25 -12.647 -9.510 1.604 184 HD3 LYS 25 HD1 LYS 25 -14.050 -8.671 2.303 185 HE2 LYS 25 HE2 LYS 25 -14.781 -8.188 -0.048 186 HE3 LYS 25 HE1 LYS 25 -13.458 -9.204 -0.616 187 HZ1 LYS 25 HZ1 LYS 25 -14.437 -11.031 0.695 188 HZ2 LYS 25 HZ2 LYS 25 -15.453 -10.471 -0.545 189 HZ3 LYS 25 HZ3 LYS 25 -15.766 -10.037 1.040 190 H SER 26 HN SER 26 -9.049 -6.861 3.820 191 HA SER 26 HA SER 26 -9.594 -5.545 6.307 192 HB2 SER 26 HB2 SER 26 -8.375 -7.840 6.008 193 HB3 SER 26 HB1 SER 26 -6.995 -6.867 5.523 194 HG SER 26 HG SER 26 -7.544 -7.553 7.890 195 H PHE 27 HN PHE 27 -7.181 -5.344 3.740 196 HA PHE 27 HA PHE 27 -5.415 -3.485 4.697 197 HB2 PHE 27 HB2 PHE 27 -5.230 -4.830 2.591 198 HB3 PHE 27 HB1 PHE 27 -6.321 -3.695 1.818 199 HD1 PHE 27 HD1 PHE 27 -5.563 -1.195 1.756 200 HD2 PHE 27 HD2 PHE 27 -2.925 -4.439 2.552 201 HE1 PHE 27 HE1 PHE 27 -3.649 0.219 1.146 202 HE2 PHE 27 HE2 PHE 27 -1.007 -3.020 1.946 203 HZ PHE 27 HZ PHE 27 -1.367 -0.692 1.245 204 H LYS 28 HN LYS 28 -8.293 -2.800 2.715 205 HA LYS 28 HA LYS 28 -7.980 -0.015 2.590 206 HB2 LYS 28 HB2 LYS 28 -10.557 -1.602 2.459 207 HB3 LYS 28 HB1 LYS 28 -10.377 0.071 1.965 208 HG2 LYS 28 HG2 LYS 28 -8.853 -0.602 0.183 209 HG3 LYS 28 HG1 LYS 28 -8.970 -2.282 0.707 210 HD2 LYS 28 HD2 LYS 28 -11.412 -2.217 0.234 211 HD3 LYS 28 HD1 LYS 28 -11.220 -0.575 -0.382 212 HE2 LYS 28 HE2 LYS 28 -9.650 -1.418 -2.086 213 HE3 LYS 28 HE1 LYS 28 -9.878 -3.048 -1.460 214 HZ1 LYS 28 HZ1 LYS 28 -11.231 -2.666 -3.440 215 HZ2 LYS 28 HZ2 LYS 28 -11.975 -1.356 -2.730 216 HZ3 LYS 28 HZ3 LYS 28 -12.254 -2.879 -2.117 217 H SER 29 HN SER 29 -9.354 -2.028 5.074 218 HA SER 29 HA SER 29 -10.721 0.162 6.355 219 HB2 SER 29 HB2 SER 29 -11.468 -2.319 6.241 220 HB3 SER 29 HB1 SER 29 -10.254 -2.590 7.459 221 HG SER 29 HG SER 29 -11.463 -1.747 8.936 222 H LEU 30 HN LEU 30 -7.887 -1.862 6.899 223 HA LEU 30 HA LEU 30 -7.139 -0.897 9.445 224 HB2 LEU 30 HB2 LEU 30 -5.510 -2.012 7.192 225 HB3 LEU 30 HB1 LEU 30 -4.914 -1.851 8.831 226 HG LEU 30 HG LEU 30 -7.336 -3.503 8.106 227 HD11 LEU 30 HD11 LEU 30 -5.353 -4.264 6.949 228 HD12 LEU 30 HD12 LEU 30 -6.026 -5.404 8.069 229 HD13 LEU 30 HD13 LEU 30 -4.534 -4.512 8.506 230 HD21 LEU 30 HD21 LEU 30 -5.569 -3.454 10.551 231 HD22 LEU 30 HD22 LEU 30 -6.908 -4.566 10.270 232 HD23 LEU 30 HD23 LEU 30 -7.222 -2.844 10.448 233 H LEU 31 HN LEU 31 -6.444 0.130 6.231 234 HA LEU 31 HA LEU 31 -4.631 2.242 6.801 235 HB2 LEU 31 HB2 LEU 31 -4.474 1.504 4.671 236 HB3 LEU 31 HB1 LEU 31 -6.161 1.140 4.520 237 HG LEU 31 HG LEU 31 -6.426 3.734 4.337 238 HD11 LEU 31 HD11 LEU 31 -4.284 4.449 4.999 239 HD12 LEU 31 HD12 LEU 31 -4.498 4.855 3.296 240 HD13 LEU 31 HD13 LEU 31 -3.501 3.473 3.755 241 HD21 LEU 31 HD21 LEU 31 -6.902 2.246 2.531 242 HD22 LEU 31 HD22 LEU 31 -5.188 2.104 2.128 243 HD23 LEU 31 HD23 LEU 31 -6.026 3.646 1.914 244 H TRP 32 HN TRP 32 -8.128 1.986 6.744 245 HA TRP 32 HA TRP 32 -8.345 4.853 6.820 246 HB2 TRP 32 HB2 TRP 32 -9.930 2.933 5.792 247 HB3 TRP 32 HB1 TRP 32 -10.785 3.283 7.307 248 HD1 TRP 32 HD1 TRP 32 -12.279 5.438 7.271 249 HE1 TRP 32 HE1 TRP 32 -12.542 7.406 5.617 250 HE3 TRP 32 HE3 TRP 32 -8.513 4.299 4.172 251 HZ2 TRP 32 HZ2 TRP 32 -11.268 8.349 3.272 252 HZ3 TRP 32 HZ3 TRP 32 -8.029 5.774 2.192 253 HH2 TRP 32 HH2 TRP 32 -9.402 7.757 1.773 254 H ALA 33 HN ALA 33 -7.850 2.376 8.930 255 HA ALA 33 HA ALA 33 -9.382 3.415 11.151 256 HB1 ALA 33 HB1 ALA 33 -8.640 1.460 12.363 257 HB2 ALA 33 HB2 ALA 33 -7.529 1.047 11.056 258 HB3 ALA 33 HB3 ALA 33 -9.269 1.000 10.781 259 H PHE 34 HN PHE 34 -6.121 3.697 9.960 260 HA PHE 34 HA PHE 34 -5.146 4.387 12.567 261 HB2 PHE 34 HB2 PHE 34 -2.942 4.617 11.529 262 HB3 PHE 34 HB1 PHE 34 -3.718 3.241 10.796 263 HD1 PHE 34 HD2 PHE 34 -3.222 6.913 10.137 264 HD2 PHE 34 HD1 PHE 34 -3.563 2.958 8.594 265 HE1 PHE 34 HE2 PHE 34 -2.723 7.749 7.909 266 HE2 PHE 34 HE1 PHE 34 -3.032 3.797 6.357 267 HZ PHE 34 HZ PHE 34 -2.650 6.209 6.003 268 HA PRO 35 HA PRO 35 -6.129 8.680 12.470 269 HB2 PRO 35 HB2 PRO 35 -3.724 9.891 13.160 270 HB3 PRO 35 HB1 PRO 35 -4.876 9.223 14.320 271 HG2 PRO 35 HG2 PRO 35 -2.383 8.011 13.212 272 HG3 PRO 35 HG1 PRO 35 -3.039 7.923 14.857 273 HD2 PRO 35 HD2 PRO 35 -3.259 5.874 13.140 274 HD3 PRO 35 HD1 PRO 35 -4.547 6.258 14.299 275 H LEU 36 HN LEU 36 -6.565 9.186 10.463 276 HA LEU 36 HA LEU 36 -4.608 9.367 8.413 277 HB2 LEU 36 HB2 LEU 36 -7.436 10.380 8.396 278 HB3 LEU 36 HB1 LEU 36 -6.405 10.195 7.001 279 HG LEU 36 HG LEU 36 -7.582 7.976 8.676 280 HD11 LEU 36 HD11 LEU 36 -7.886 8.713 5.797 281 HD12 LEU 36 HD12 LEU 36 -9.102 9.005 7.059 282 HD13 LEU 36 HD13 LEU 36 -8.652 7.349 6.602 283 HD21 LEU 36 HD21 LEU 36 -5.338 7.387 8.053 284 HD22 LEU 36 HD22 LEU 36 -5.663 7.818 6.370 285 HD23 LEU 36 HD23 LEU 36 -6.499 6.452 7.112 286 H GLU 37 HN GLU 37 -3.974 11.131 7.340 287 HA GLU 37 HA GLU 37 -3.995 13.605 8.901 288 HB2 GLU 37 HB2 GLU 37 -2.058 12.685 6.791 289 HB3 GLU 37 HB1 GLU 37 -1.844 14.031 7.911 290 HG2 GLU 37 HG2 GLU 37 -1.901 12.340 9.787 291 HG3 GLU 37 HG1 GLU 37 -1.954 11.120 8.547 292 H ASP 38 HN ASP 38 -3.494 15.470 7.145 293 HA ASP 38 HA ASP 38 -5.813 16.071 5.873 294 HB2 ASP 38 HB2 ASP 38 -4.181 17.773 6.165 295 HB3 ASP 38 HB1 ASP 38 -3.039 16.940 5.113 296 H VAL 39 HN VAL 39 -3.012 14.827 4.014 297 HA VAL 39 HA VAL 39 -4.532 14.739 1.610 298 HB VAL 39 HB VAL 39 -1.910 13.303 2.131 299 HG11 VAL 39 HG11 VAL 39 -3.133 14.345 -0.420 300 HG12 VAL 39 HG12 VAL 39 -3.045 12.656 0.070 301 HG13 VAL 39 HG13 VAL 39 -1.564 13.550 -0.273 302 HG21 VAL 39 HG21 VAL 39 -0.794 15.318 1.256 303 HG22 VAL 39 HG22 VAL 39 -1.669 15.647 2.754 304 HG23 VAL 39 HG23 VAL 39 -2.353 16.144 1.212 305 H LEU 40 HN LEU 40 -3.881 12.520 4.125 306 HA LEU 40 HA LEU 40 -4.720 10.188 2.666 307 HB2 LEU 40 HB2 LEU 40 -4.070 10.669 5.526 308 HB3 LEU 40 HB1 LEU 40 -4.510 9.077 4.906 309 HG LEU 40 HG LEU 40 -2.124 10.713 4.031 310 HD11 LEU 40 HD11 LEU 40 -2.322 8.311 5.815 311 HD12 LEU 40 HD12 LEU 40 -1.913 9.952 6.325 312 HD13 LEU 40 HD13 LEU 40 -0.828 9.055 5.253 313 HD21 LEU 40 HD21 LEU 40 -1.433 8.624 2.939 314 HD22 LEU 40 HD22 LEU 40 -2.937 9.242 2.272 315 HD23 LEU 40 HD23 LEU 40 -2.964 7.883 3.398 316 H GLN 41 HN GLN 41 -6.222 12.416 4.893 317 HA GLN 41 HA GLN 41 -8.549 10.814 5.257 318 HB2 GLN 41 HB2 GLN 41 -7.802 12.558 6.881 319 HB3 GLN 41 HB1 GLN 41 -8.192 13.790 5.693 320 HG2 GLN 41 HG2 GLN 41 -10.530 13.219 5.799 321 HG3 GLN 41 HG1 GLN 41 -10.179 11.863 6.868 322 HE21 GLN 41 HE21 GLN 41 -10.452 15.299 6.619 323 HE22 GLN 41 HE22 GLN 41 -10.408 15.615 8.320 324 H LYS 42 HN LYS 42 -7.535 13.334 3.050 325 HA LYS 42 HA LYS 42 -10.113 13.295 1.739 326 HB2 LYS 42 HB2 LYS 42 -9.242 14.977 0.210 327 HB3 LYS 42 HB1 LYS 42 -8.933 15.449 1.870 328 HG2 LYS 42 HG2 LYS 42 -6.659 15.128 1.674 329 HG3 LYS 42 HG1 LYS 42 -6.828 14.033 0.299 330 HD2 LYS 42 HD2 LYS 42 -7.597 15.914 -1.077 331 HD3 LYS 42 HD1 LYS 42 -7.368 16.997 0.293 332 HE2 LYS 42 HE2 LYS 42 -5.152 15.282 -0.704 333 HE3 LYS 42 HE1 LYS 42 -5.518 16.789 -1.525 334 HZ1 LYS 42 HZ1 LYS 42 -5.170 17.991 0.537 335 HZ2 LYS 42 HZ2 LYS 42 -3.791 17.167 0.159 336 HZ3 LYS 42 HZ3 LYS 42 -4.769 16.630 1.412 337 H THR 43 HN THR 43 -7.790 11.100 1.767 338 HA THR 43 HA THR 43 -7.140 10.643 -0.857 339 HB THR 43 HB THR 43 -7.362 8.734 1.487 340 HG1 THR 43 HG1 THR 43 -5.639 10.561 0.940 341 HG21 THR 43 HG21 THR 43 -6.038 7.123 0.194 342 HG22 THR 43 HG22 THR 43 -6.138 8.166 -1.229 343 HG23 THR 43 HG23 THR 43 -7.597 7.410 -0.584 344 HA PRO 44 HA PRO 44 -11.148 9.931 -2.469 345 HB2 PRO 44 HB2 PRO 44 -10.270 8.697 -4.822 346 HB3 PRO 44 HB1 PRO 44 -10.466 10.432 -4.573 347 HG2 PRO 44 HG2 PRO 44 -8.000 8.757 -4.361 348 HG3 PRO 44 HG1 PRO 44 -8.166 10.382 -5.032 349 HD2 PRO 44 HD2 PRO 44 -7.110 10.047 -2.617 350 HD3 PRO 44 HD1 PRO 44 -8.210 11.373 -2.858 351 H TRP 45 HN TRP 45 -12.091 8.422 -1.181 352 HA TRP 45 HA TRP 45 -11.357 5.675 -1.088 353 HB2 TRP 45 HB2 TRP 45 -12.559 6.692 0.804 354 HB3 TRP 45 HB1 TRP 45 -13.932 7.051 -0.232 355 HD1 TRP 45 HD1 TRP 45 -15.382 4.864 -1.088 356 HE1 TRP 45 HE1 TRP 45 -15.864 2.628 0.083 357 HE3 TRP 45 HE3 TRP 45 -11.607 4.908 2.376 358 HZ2 TRP 45 HZ2 TRP 45 -14.793 1.079 2.165 359 HZ3 TRP 45 HZ3 TRP 45 -11.415 2.983 3.919 360 HH2 TRP 45 HH2 TRP 45 -12.968 1.121 3.811 361 H SER 46 HN SER 46 -13.578 7.530 -3.091 362 HA SER 46 HA SER 46 -15.028 5.411 -4.159 363 HB2 SER 46 HB2 SER 46 -14.150 7.908 -5.624 364 HB3 SER 46 HB1 SER 46 -15.555 6.891 -5.982 365 HG SER 46 HG SER 46 -15.265 8.876 -4.144 366 H GLU 47 HN GLU 47 -11.854 6.669 -4.906 367 HA GLU 47 HA GLU 47 -11.313 4.987 -7.100 368 HB2 GLU 47 HB2 GLU 47 -9.703 6.724 -5.306 369 HB3 GLU 47 HB1 GLU 47 -8.864 5.496 -6.236 370 HG2 GLU 47 HG2 GLU 47 -10.721 7.483 -7.487 371 HG3 GLU 47 HG1 GLU 47 -8.991 7.776 -7.272 372 H VAL 48 HN VAL 48 -10.444 4.842 -3.658 373 HA VAL 48 HA VAL 48 -8.959 2.473 -3.814 374 HB VAL 48 HB VAL 48 -8.806 2.427 -1.489 375 HG11 VAL 48 HG11 VAL 48 -7.809 4.384 -2.216 376 HG12 VAL 48 HG12 VAL 48 -8.572 4.663 -0.641 377 HG13 VAL 48 HG13 VAL 48 -9.342 5.257 -2.110 378 HG21 VAL 48 HG21 VAL 48 -10.412 3.484 0.104 379 HG22 VAL 48 HG22 VAL 48 -11.035 2.104 -0.789 380 HG23 VAL 48 HG23 VAL 48 -11.510 3.729 -1.263 381 H GLU 49 HN GLU 49 -12.351 2.999 -3.451 382 HA GLU 49 HA GLU 49 -13.227 0.524 -2.502 383 HB2 GLU 49 HB2 GLU 49 -14.352 2.873 -2.951 384 HB3 GLU 49 HB1 GLU 49 -14.888 2.022 -4.399 385 HG2 GLU 49 HG2 GLU 49 -15.142 0.892 -1.683 386 HG3 GLU 49 HG1 GLU 49 -16.356 1.957 -2.345 387 H GLU 50 HN GLU 50 -13.169 1.830 -5.795 388 HA GLU 50 HA GLU 50 -13.820 -0.758 -6.838 389 HB2 GLU 50 HB2 GLU 50 -13.360 1.879 -8.189 390 HB3 GLU 50 HB1 GLU 50 -13.809 0.400 -9.028 391 HG2 GLU 50 HG2 GLU 50 -15.902 0.355 -7.719 392 HG3 GLU 50 HG1 GLU 50 -15.423 1.862 -6.941 393 H ALA 51 HN ALA 51 -11.154 0.041 -5.681 394 HA ALA 51 HA ALA 51 -9.361 -0.638 -7.934 395 HB1 ALA 51 HB1 ALA 51 -7.570 0.326 -6.628 396 HB2 ALA 51 HB2 ALA 51 -8.704 0.695 -5.328 397 HB3 ALA 51 HB3 ALA 51 -8.860 1.500 -6.891 398 H ASP 52 HN ASP 52 -8.007 -2.222 -7.839 399 HA ASP 52 HA ASP 52 -7.693 -3.680 -5.362 400 HB2 ASP 52 HB2 ASP 52 -8.002 -5.812 -6.349 401 HB3 ASP 52 HB1 ASP 52 -9.407 -4.863 -6.790 402 H GLY 53 HN GLY 53 -5.713 -4.791 -5.287 403 HA2 GLY 53 HA2 GLY 53 -3.466 -5.018 -5.580 404 HA3 GLY 53 HA1 GLY 53 -3.945 -5.332 -7.233 405 H LYS 54 HN LYS 54 -3.323 -4.042 -8.771 406 HA LYS 54 HA LYS 54 -1.202 -2.190 -8.406 407 HB2 LYS 54 HB2 LYS 54 -1.763 -3.547 -10.470 408 HB3 LYS 54 HB1 LYS 54 -2.959 -2.303 -10.818 409 HG2 LYS 54 HG2 LYS 54 -0.791 -0.808 -10.266 410 HG3 LYS 54 HG1 LYS 54 -0.034 -2.207 -10.984 411 HD2 LYS 54 HD2 LYS 54 -0.440 -0.854 -12.843 412 HD3 LYS 54 HD1 LYS 54 -1.831 -1.948 -12.834 413 HE2 LYS 54 HE2 LYS 54 -2.852 0.135 -13.080 414 HE3 LYS 54 HE1 LYS 54 -2.878 -0.234 -11.333 415 HZ1 LYS 54 HZ1 LYS 54 -0.943 1.573 -12.671 416 HZ2 LYS 54 HZ2 LYS 54 -0.853 1.193 -11.082 417 HZ3 LYS 54 HZ3 LYS 54 -2.186 2.084 -11.680 418 H LYS 55 HN LYS 55 -4.640 -1.744 -9.039 419 HA LYS 55 HA LYS 55 -4.393 0.969 -9.452 420 HB2 LYS 55 HB2 LYS 55 -6.648 -0.835 -8.951 421 HB3 LYS 55 HB1 LYS 55 -6.951 0.840 -8.535 422 HG2 LYS 55 HG2 LYS 55 -6.018 -0.130 -11.224 423 HG3 LYS 55 HG1 LYS 55 -7.695 0.236 -10.797 424 HD2 LYS 55 HD2 LYS 55 -5.371 2.204 -10.813 425 HD3 LYS 55 HD1 LYS 55 -6.647 2.106 -12.017 426 HE2 LYS 55 HE2 LYS 55 -8.315 2.719 -10.311 427 HE3 LYS 55 HE1 LYS 55 -7.049 2.784 -9.090 428 HZ1 LYS 55 HZ1 LYS 55 -7.528 5.017 -9.872 429 HZ2 LYS 55 HZ2 LYS 55 -7.296 4.544 -11.460 430 HZ3 LYS 55 HZ3 LYS 55 -5.986 4.570 -10.419 431 H LEU 56 HN LEU 56 -4.761 -0.907 -6.544 432 HA LEU 56 HA LEU 56 -5.438 1.305 -4.902 433 HB2 LEU 56 HB2 LEU 56 -5.931 -1.078 -4.325 434 HB3 LEU 56 HB1 LEU 56 -4.222 -1.312 -4.059 435 HG LEU 56 HG LEU 56 -4.259 0.379 -2.260 436 HD11 LEU 56 HD11 LEU 56 -7.237 0.370 -2.711 437 HD12 LEU 56 HD12 LEU 56 -6.141 1.731 -2.965 438 HD13 LEU 56 HD13 LEU 56 -6.411 1.106 -1.341 439 HD21 LEU 56 HD21 LEU 56 -5.439 -0.982 -0.627 440 HD22 LEU 56 HD22 LEU 56 -4.479 -1.965 -1.731 441 HD23 LEU 56 HD23 LEU 56 -6.231 -1.861 -1.933 442 H ALA 57 HN ALA 57 -2.446 -0.361 -5.701 443 HA ALA 57 HA ALA 57 -0.644 0.992 -4.035 444 HB1 ALA 57 HB1 ALA 57 -0.021 -0.967 -5.427 445 HB2 ALA 57 HB2 ALA 57 1.069 0.392 -5.675 446 HB3 ALA 57 HB3 ALA 57 -0.179 0.040 -6.862 447 H GLU 58 HN GLU 58 -2.042 1.806 -7.066 448 HA GLU 58 HA GLU 58 -0.466 4.021 -7.798 449 HB2 GLU 58 HB2 GLU 58 -1.858 2.616 -9.263 450 HB3 GLU 58 HB1 GLU 58 -3.288 3.266 -8.492 451 HG2 GLU 58 HG2 GLU 58 -2.518 5.522 -9.295 452 HG3 GLU 58 HG1 GLU 58 -1.335 4.648 -10.273 453 H ILE 59 HN ILE 59 -3.332 3.616 -5.838 454 HA ILE 59 HA ILE 59 -3.909 6.407 -5.675 455 HB ILE 59 HB ILE 59 -4.954 4.067 -4.041 456 HG12 ILE 59 HG12 ILE 59 -6.399 5.554 -6.206 457 HG13 ILE 59 HG11 ILE 59 -5.297 4.239 -6.605 458 HG21 ILE 59 HG21 ILE 59 -5.968 6.915 -4.295 459 HG22 ILE 59 HG22 ILE 59 -5.260 6.199 -2.847 460 HG23 ILE 59 HG23 ILE 59 -6.808 5.612 -3.462 461 HD11 ILE 59 HD11 ILE 59 -6.634 2.759 -5.231 462 HD12 ILE 59 HD12 ILE 59 -7.566 3.469 -6.531 463 HD13 ILE 59 HD13 ILE 59 -7.753 4.076 -4.871 464 H LEU 60 HN LEU 60 -2.347 3.958 -3.657 465 HA LEU 60 HA LEU 60 -1.804 5.579 -1.434 466 HB2 LEU 60 HB2 LEU 60 -0.528 3.087 -2.491 467 HB3 LEU 60 HB1 LEU 60 0.314 3.986 -1.256 468 HG LEU 60 HG LEU 60 -0.885 2.137 -0.274 469 HD11 LEU 60 HD11 LEU 60 -0.660 4.115 1.071 470 HD12 LEU 60 HD12 LEU 60 -2.167 3.277 1.426 471 HD13 LEU 60 HD13 LEU 60 -2.190 4.743 0.453 472 HD21 LEU 60 HD21 LEU 60 -2.662 1.854 -1.902 473 HD22 LEU 60 HD22 LEU 60 -3.397 3.375 -1.391 474 HD23 LEU 60 HD23 LEU 60 -3.329 2.004 -0.277 475 H VAL 61 HN VAL 61 0.056 5.091 -4.427 476 HA VAL 61 HA VAL 61 2.152 6.818 -3.488 477 HB VAL 61 HB VAL 61 3.172 6.631 -5.675 478 HG11 VAL 61 HG11 VAL 61 3.463 4.206 -5.835 479 HG12 VAL 61 HG12 VAL 61 2.078 3.990 -4.764 480 HG13 VAL 61 HG13 VAL 61 3.536 4.789 -4.173 481 HG21 VAL 61 HG21 VAL 61 0.668 5.201 -6.544 482 HG22 VAL 61 HG22 VAL 61 2.126 5.409 -7.525 483 HG23 VAL 61 HG23 VAL 61 1.167 6.815 -7.040 484 H ASN 62 HN ASN 62 -0.862 7.483 -4.478 485 HA ASN 62 HA ASN 62 -0.164 9.887 -5.904 486 HB2 ASN 62 HB2 ASN 62 -2.138 8.636 -6.661 487 HB3 ASN 62 HB1 ASN 62 -2.874 8.798 -5.074 488 HD21 ASN 62 HD21 ASN 62 -4.680 9.784 -5.966 489 HD22 ASN 62 HD22 ASN 62 -4.643 11.418 -6.499 490 H THR 63 HN THR 63 -1.342 8.834 -2.760 491 HA THR 63 HA THR 63 -1.637 11.590 -1.918 492 HB THR 63 HB THR 63 -2.730 10.489 0.126 493 HG1 THR 63 HG1 THR 63 -3.406 8.326 -0.334 494 HG21 THR 63 HG21 THR 63 -4.803 10.066 -1.109 495 HG22 THR 63 HG22 THR 63 -3.901 9.971 -2.621 496 HG23 THR 63 HG23 THR 63 -4.001 11.500 -1.750 497 H SER 64 HN SER 64 0.388 8.766 -1.286 498 HA SER 64 HA SER 64 1.783 10.394 0.691 499 HB2 SER 64 HB2 SER 64 1.537 7.410 0.466 500 HB3 SER 64 HB1 SER 64 2.473 8.283 1.682 501 HG SER 64 HG SER 64 -0.229 8.851 1.290 502 H SER 65 HN SER 65 4.040 10.269 0.699 503 HA SER 65 HA SER 65 5.257 9.797 -1.842 504 HB2 SER 65 HB2 SER 65 6.488 10.548 0.815 505 HB3 SER 65 HB1 SER 65 7.206 10.766 -0.789 506 HG SER 65 HG SER 65 5.985 12.454 -1.141 507 H GLU 66 HN GLU 66 7.063 8.274 -2.077 508 HA GLU 66 HA GLU 66 6.462 5.675 -1.277 509 HB2 GLU 66 HB2 GLU 66 8.712 5.050 -2.082 510 HB3 GLU 66 HB1 GLU 66 7.852 6.103 -3.203 511 HG2 GLU 66 HG2 GLU 66 9.125 7.949 -2.621 512 HG3 GLU 66 HG1 GLU 66 9.821 7.153 -1.203 513 H ASN 67 HN ASN 67 8.565 8.004 0.240 514 HA ASN 67 HA ASN 67 9.944 6.314 2.010 515 HB2 ASN 67 HB2 ASN 67 10.674 8.600 1.468 516 HB3 ASN 67 HB1 ASN 67 9.257 9.258 2.268 517 HD21 ASN 67 HD21 ASN 67 12.432 8.019 2.644 518 HD22 ASN 67 HD22 ASN 67 12.564 8.279 4.339 519 H TRP 68 HN TRP 68 6.756 7.662 2.153 520 HA TRP 68 HA TRP 68 6.512 6.956 4.965 521 HB2 TRP 68 HB2 TRP 68 5.501 9.086 3.987 522 HB3 TRP 68 HB1 TRP 68 4.374 8.049 3.129 523 HD1 TRP 68 HD1 TRP 68 5.252 9.203 6.675 524 HE1 TRP 68 HE1 TRP 68 3.242 8.751 8.206 525 HE3 TRP 68 HE3 TRP 68 2.296 6.621 3.402 526 HZ2 TRP 68 HZ2 TRP 68 0.750 7.468 8.062 527 HZ3 TRP 68 HZ3 TRP 68 0.118 5.818 4.183 528 HH2 TRP 68 HH2 TRP 68 -0.636 6.236 6.467 529 H ILE 69 HN ILE 69 5.342 6.018 1.793 530 HA ILE 69 HA ILE 69 3.427 4.133 2.643 531 HB ILE 69 HB ILE 69 4.938 3.979 0.023 532 HG12 ILE 69 HG12 ILE 69 2.379 5.458 0.591 533 HG13 ILE 69 HG11 ILE 69 3.951 6.251 0.500 534 HG21 ILE 69 HG21 ILE 69 2.223 3.030 0.956 535 HG22 ILE 69 HG22 ILE 69 3.579 2.014 0.452 536 HG23 ILE 69 HG23 ILE 69 2.731 3.027 -0.721 537 HD11 ILE 69 HD11 ILE 69 4.174 5.498 -1.811 538 HD12 ILE 69 HD12 ILE 69 2.737 6.488 -1.554 539 HD13 ILE 69 HD13 ILE 69 2.584 4.736 -1.705 540 H ARG 70 HN ARG 70 6.886 3.874 2.069 541 HA ARG 70 HA ARG 70 7.091 1.082 2.002 542 HB2 ARG 70 HB2 ARG 70 9.492 1.447 2.431 543 HB3 ARG 70 HB1 ARG 70 8.875 2.625 1.279 544 HG2 ARG 70 HG2 ARG 70 8.729 4.284 3.006 545 HG3 ARG 70 HG1 ARG 70 9.374 3.130 4.174 546 HD2 ARG 70 HD2 ARG 70 11.098 4.610 3.336 547 HD3 ARG 70 HD1 ARG 70 11.389 2.924 2.878 548 HE ARG 70 HE ARG 70 10.152 3.872 0.718 549 HH11 ARG 70 HH11 ARG 70 12.829 5.252 2.595 550 HH12 ARG 70 HH12 ARG 70 13.611 5.911 1.251 551 HH21 ARG 70 HH21 ARG 70 11.325 4.844 -1.209 552 HH22 ARG 70 HH22 ARG 70 12.742 5.654 -0.885 553 H ASN 71 HN ASN 71 6.529 3.233 4.606 554 HA ASN 71 HA ASN 71 7.089 1.220 6.648 555 HB2 ASN 71 HB2 ASN 71 7.695 3.529 7.181 556 HB3 ASN 71 HB1 ASN 71 6.072 4.078 6.797 557 HD21 ASN 71 HD21 ASN 71 5.748 4.974 8.807 558 HD22 ASN 71 HD22 ASN 71 5.519 4.038 10.231 559 H ALA 72 HN ALA 72 4.466 3.131 5.307 560 HA ALA 72 HA ALA 72 2.317 2.285 6.790 561 HB1 ALA 72 HB1 ALA 72 2.292 4.149 5.192 562 HB2 ALA 72 HB2 ALA 72 0.911 3.068 5.029 563 HB3 ALA 72 HB3 ALA 72 2.238 2.975 3.874 564 H THR 73 HN THR 73 3.282 0.919 3.626 565 HA THR 73 HA THR 73 1.232 -1.108 3.628 566 HB THR 73 HB THR 73 2.398 -0.295 1.528 567 HG1 THR 73 HG1 THR 73 1.564 -2.690 2.048 568 HG21 THR 73 HG21 THR 73 4.588 -1.260 0.913 569 HG22 THR 73 HG22 THR 73 4.717 -1.965 2.524 570 HG23 THR 73 HG23 THR 73 4.712 -0.213 2.328 571 H VAL 74 HN VAL 74 4.591 -1.253 4.731 572 HA VAL 74 HA VAL 74 4.476 -3.983 5.317 573 HB VAL 74 HB VAL 74 6.134 -1.754 6.566 574 HG11 VAL 74 HG11 VAL 74 5.955 -3.623 8.137 575 HG12 VAL 74 HG12 VAL 74 7.580 -3.508 7.458 576 HG13 VAL 74 HG13 VAL 74 6.459 -4.731 6.863 577 HG21 VAL 74 HG21 VAL 74 6.560 -2.192 4.195 578 HG22 VAL 74 HG22 VAL 74 6.837 -3.898 4.580 579 HG23 VAL 74 HG23 VAL 74 7.929 -2.670 5.205 580 H ASN 75 HN ASN 75 3.745 -1.168 7.286 581 HA ASN 75 HA ASN 75 2.977 -2.491 9.670 582 HB2 ASN 75 HB2 ASN 75 3.477 -0.062 9.490 583 HB3 ASN 75 HB1 ASN 75 2.013 0.156 8.551 584 HD21 ASN 75 HD21 ASN 75 0.023 0.200 9.606 585 HD22 ASN 75 HD22 ASN 75 -0.096 0.196 11.323 586 H ILE 76 HN ILE 76 1.004 -1.417 6.904 587 HA ILE 76 HA ILE 76 -1.498 -2.270 7.935 588 HB ILE 76 HB ILE 76 -0.722 -2.221 4.991 589 HG12 ILE 76 HG12 ILE 76 -0.432 -0.012 6.162 590 HG13 ILE 76 HG11 ILE 76 -1.606 0.021 4.847 591 HG21 ILE 76 HG21 ILE 76 -2.737 -3.508 5.393 592 HG22 ILE 76 HG22 ILE 76 -3.144 -1.997 4.580 593 HG23 ILE 76 HG23 ILE 76 -3.434 -2.174 6.312 594 HD11 ILE 76 HD11 ILE 76 -3.401 -0.002 6.453 595 HD12 ILE 76 HD12 ILE 76 -2.271 1.315 6.784 596 HD13 ILE 76 HD13 ILE 76 -2.237 -0.149 7.780 597 H LEU 77 HN LEU 77 0.814 -3.924 5.800 598 HA LEU 77 HA LEU 77 -0.649 -6.309 5.620 599 HB2 LEU 77 HB2 LEU 77 2.231 -5.646 5.110 600 HB3 LEU 77 HB1 LEU 77 1.710 -7.314 5.100 601 HG LEU 77 HG LEU 77 0.054 -6.653 3.271 602 HD11 LEU 77 HD11 LEU 77 0.419 -4.750 1.951 603 HD12 LEU 77 HD12 LEU 77 1.526 -4.127 3.181 604 HD13 LEU 77 HD13 LEU 77 -0.172 -4.391 3.576 605 HD21 LEU 77 HD21 LEU 77 2.106 -7.849 2.766 606 HD22 LEU 77 HD22 LEU 77 2.975 -6.316 2.658 607 HD23 LEU 77 HD23 LEU 77 1.705 -6.697 1.494 608 H GLU 78 HN GLU 78 1.693 -5.207 7.967 609 HA GLU 78 HA GLU 78 1.814 -7.649 9.370 610 HB2 GLU 78 HB2 GLU 78 2.544 -4.846 10.014 611 HB3 GLU 78 HB1 GLU 78 2.609 -6.002 11.312 612 HG2 GLU 78 HG2 GLU 78 4.068 -7.395 9.720 613 HG3 GLU 78 HG1 GLU 78 4.164 -5.927 8.753 614 H GLU 79 HN GLU 79 -0.261 -4.830 9.685 615 HA GLU 79 HA GLU 79 -1.716 -5.898 11.862 616 HB2 GLU 79 HB2 GLU 79 -1.980 -3.581 10.091 617 HB3 GLU 79 HB1 GLU 79 -3.509 -4.198 10.703 618 HG2 GLU 79 HG2 GLU 79 -2.715 -2.441 12.139 619 HG3 GLU 79 HG1 GLU 79 -2.649 -3.972 12.997 620 H MET 80 HN MET 80 -1.655 -6.732 8.599 621 HA MET 80 HA MET 80 -4.312 -7.916 8.635 622 HB2 MET 80 HB2 MET 80 -2.110 -8.041 6.565 623 HB3 MET 80 HB1 MET 80 -3.659 -8.856 6.413 624 HG2 MET 80 HG2 MET 80 -4.778 -6.671 6.463 625 HG3 MET 80 HG1 MET 80 -3.206 -5.887 6.560 626 HE1 MET 80 HE1 MET 80 -4.637 -8.355 2.933 627 HE2 MET 80 HE2 MET 80 -5.577 -8.128 4.407 628 HE3 MET 80 HE3 MET 80 -4.103 -9.091 4.438 629 H ASN 81 HN ASN 81 -1.429 -8.608 9.956 630 HA ASN 81 HA ASN 81 -0.504 -10.386 10.973 631 HB2 ASN 81 HB2 ASN 81 -2.868 -10.988 11.605 632 HB3 ASN 81 HB1 ASN 81 -2.993 -11.933 10.133 633 HD21 ASN 81 HD21 ASN 81 -3.483 -13.778 11.338 634 HD22 ASN 81 HD22 ASN 81 -2.280 -14.643 12.219 635 H LEU 82 HN LEU 82 -0.177 -9.748 8.139 636 HA LEU 82 HA LEU 82 0.402 -12.309 6.899 637 HB2 LEU 82 HB2 LEU 82 0.588 -9.473 5.941 638 HB3 LEU 82 HB1 LEU 82 1.065 -10.852 4.962 639 HG LEU 82 HG LEU 82 -1.711 -10.246 5.979 640 HD11 LEU 82 HD11 LEU 82 -2.210 -9.848 3.601 641 HD12 LEU 82 HD12 LEU 82 -0.490 -10.015 3.233 642 HD13 LEU 82 HD13 LEU 82 -1.048 -8.702 4.263 643 HD21 LEU 82 HD21 LEU 82 -0.688 -12.464 4.203 644 HD22 LEU 82 HD22 LEU 82 -2.385 -12.086 4.459 645 HD23 LEU 82 HD23 LEU 82 -1.400 -12.640 5.810 646 H THR 83 HN THR 83 2.386 -13.188 6.921 647 HA THR 83 HA THR 83 4.602 -11.432 7.621 648 HB THR 83 HB THR 83 5.844 -13.661 7.933 649 HG1 THR 83 HG1 THR 83 3.611 -15.031 8.632 650 HG21 THR 83 HG21 THR 83 3.597 -12.934 9.820 651 HG22 THR 83 HG22 THR 83 5.234 -12.255 9.803 652 HG23 THR 83 HG23 THR 83 4.992 -13.947 10.218 653 H GLU 84 HN GLU 84 4.206 -14.357 5.688 654 HA GLU 84 HA GLU 84 6.379 -14.443 4.184 655 HB2 GLU 84 HB2 GLU 84 4.954 -15.446 2.345 656 HB3 GLU 84 HB1 GLU 84 4.809 -16.152 3.950 657 HG2 GLU 84 HG2 GLU 84 2.742 -14.791 4.281 658 HG3 GLU 84 HG1 GLU 84 2.887 -14.261 2.611 659 H LEU 85 HN LEU 85 3.602 -12.725 2.715 660 HA LEU 85 HA LEU 85 5.350 -11.610 0.766 661 HB2 LEU 85 HB2 LEU 85 3.439 -10.427 -0.182 662 HB3 LEU 85 HB1 LEU 85 3.088 -12.117 0.062 663 HG LEU 85 HG LEU 85 2.103 -9.919 1.898 664 HD11 LEU 85 HD11 LEU 85 -0.028 -10.153 0.744 665 HD12 LEU 85 HD12 LEU 85 0.709 -11.279 -0.400 666 HD13 LEU 85 HD13 LEU 85 1.235 -9.596 -0.353 667 HD21 LEU 85 HD21 LEU 85 1.318 -12.820 1.560 668 HD22 LEU 85 HD22 LEU 85 0.413 -11.652 2.499 669 HD23 LEU 85 HD23 LEU 85 2.048 -12.081 2.992 670 H CYS 86 HN CYS 86 4.249 -10.531 3.815 671 HA CYS 86 HA CYS 86 4.758 -7.754 3.413 672 HB2 CYS 86 HB2 CYS 86 3.383 -8.719 5.321 673 HB3 CYS 86 HB1 CYS 86 4.889 -9.379 5.904 674 HG CYS 86 HG CYS 86 3.648 -6.568 6.811 675 H LYS 87 HN LYS 87 6.609 -10.550 4.383 676 HA LYS 87 HA LYS 87 8.991 -9.217 5.097 677 HB2 LYS 87 HB2 LYS 87 8.434 -12.075 4.309 678 HB3 LYS 87 HB1 LYS 87 9.993 -11.508 4.904 679 HG2 LYS 87 HG2 LYS 87 9.116 -10.999 7.039 680 HG3 LYS 87 HG1 LYS 87 7.454 -11.137 6.468 681 HD2 LYS 87 HD2 LYS 87 8.075 -13.066 7.814 682 HD3 LYS 87 HD1 LYS 87 7.768 -13.544 6.148 683 HE2 LYS 87 HE2 LYS 87 10.166 -13.535 5.725 684 HE3 LYS 87 HE1 LYS 87 10.452 -13.105 7.422 685 HZ1 LYS 87 HZ1 LYS 87 10.716 -15.480 7.071 686 HZ2 LYS 87 HZ2 LYS 87 9.201 -15.594 6.401 687 HZ3 LYS 87 HZ3 LYS 87 9.369 -15.212 8.047 688 H MET 88 HN MET 88 7.581 -10.057 2.113 689 HA MET 88 HA MET 88 9.914 -9.905 0.478 690 HB2 MET 88 HB2 MET 88 7.810 -10.988 -0.254 691 HB3 MET 88 HB1 MET 88 6.986 -9.451 -0.151 692 HG2 MET 88 HG2 MET 88 8.408 -8.565 -1.921 693 HG3 MET 88 HG1 MET 88 9.211 -10.134 -2.041 694 HE1 MET 88 HE1 MET 88 7.923 -8.681 -4.550 695 HE2 MET 88 HE2 MET 88 7.103 -10.031 -5.333 696 HE3 MET 88 HE3 MET 88 8.705 -10.259 -4.633 697 H ALA 89 HN ALA 89 7.307 -7.729 1.398 698 HA ALA 89 HA ALA 89 8.215 -5.314 0.215 699 HB1 ALA 89 HB1 ALA 89 5.966 -5.625 1.232 700 HB2 ALA 89 HB2 ALA 89 6.794 -4.193 1.841 701 HB3 ALA 89 HB3 ALA 89 6.720 -5.654 2.825 702 H LYS 90 HN LYS 90 8.729 -6.708 3.414 703 HA LYS 90 HA LYS 90 10.437 -4.748 4.501 704 HB2 LYS 90 HB2 LYS 90 10.200 -7.682 5.129 705 HB3 LYS 90 HB1 LYS 90 11.156 -6.557 6.065 706 HG2 LYS 90 HG2 LYS 90 9.208 -5.354 6.729 707 HG3 LYS 90 HG1 LYS 90 8.205 -6.301 5.626 708 HD2 LYS 90 HD2 LYS 90 8.618 -8.317 6.885 709 HD3 LYS 90 HD1 LYS 90 9.769 -7.477 7.924 710 HE2 LYS 90 HE2 LYS 90 6.929 -6.631 7.646 711 HE3 LYS 90 HE1 LYS 90 7.416 -7.860 8.823 712 HZ1 LYS 90 HZ1 LYS 90 8.785 -6.281 9.913 713 HZ2 LYS 90 HZ2 LYS 90 7.290 -5.523 9.712 714 HZ3 LYS 90 HZ3 LYS 90 8.597 -5.131 8.714 715 H ALA 91 HN ALA 91 11.106 -6.805 1.950 716 HA ALA 91 HA ALA 91 13.985 -6.667 2.481 717 HB1 ALA 91 HB1 ALA 91 12.484 -8.540 0.660 718 HB2 ALA 91 HB2 ALA 91 13.142 -8.954 2.242 719 HB3 ALA 91 HB3 ALA 91 14.226 -8.525 0.916 720 H GLU 92 HN GLU 92 11.601 -5.143 0.826 721 HA GLU 92 HA GLU 92 13.502 -4.318 -1.247 722 HB2 GLU 92 HB2 GLU 92 10.595 -4.889 -1.585 723 HB3 GLU 92 HB1 GLU 92 11.603 -4.200 -2.882 724 HG2 GLU 92 HG2 GLU 92 12.997 -6.374 -2.438 725 HG3 GLU 92 HG1 GLU 92 11.519 -6.945 -1.700 726 H MET 93 HN MET 93 10.274 -3.461 -0.051 727 HA MET 93 HA MET 93 10.990 -0.665 -0.214 728 HB2 MET 93 HB2 MET 93 8.314 -2.055 0.200 729 HB3 MET 93 HB1 MET 93 8.543 -0.338 0.537 730 HG2 MET 93 HG2 MET 93 9.174 -1.661 -2.050 731 HG3 MET 93 HG1 MET 93 7.619 -0.921 -1.670 732 HE1 MET 93 HE1 MET 93 9.390 1.630 -4.168 733 HE2 MET 93 HE2 MET 93 7.954 0.648 -3.886 734 HE3 MET 93 HE3 MET 93 9.508 -0.129 -4.199 735 H MET 94 HN MET 94 12.482 -0.636 1.303 736 HA MET 94 HA MET 94 11.668 -1.164 4.076 737 HB2 MET 94 HB2 MET 94 14.409 -1.040 2.831 738 HB3 MET 94 HB1 MET 94 14.085 -1.320 4.530 739 HG2 MET 94 HG2 MET 94 12.985 -3.408 3.998 740 HG3 MET 94 HG1 MET 94 13.222 -3.111 2.279 741 HE1 MET 94 HE1 MET 94 16.174 -1.931 2.111 742 HE2 MET 94 HE2 MET 94 15.545 -3.189 1.048 743 HE3 MET 94 HE3 MET 94 17.091 -3.418 1.861 744 H GLU 95 HN GLU 95 11.933 0.465 5.540 745 HA GLU 95 HA GLU 95 12.426 3.080 4.526 746 HB2 GLU 95 HB2 GLU 95 12.249 3.803 6.914 747 HB3 GLU 95 HB1 GLU 95 10.850 2.942 6.301 748 HG2 GLU 95 HG2 GLU 95 11.571 0.929 7.458 749 HG3 GLU 95 HG1 GLU 95 13.009 1.775 8.033 750 H ASP 96 HN ASP 96 14.189 4.092 4.271 751 HA ASP 96 HA ASP 96 16.650 2.789 4.966 752 HB2 ASP 96 HB2 ASP 96 16.466 3.577 2.698 753 HB3 ASP 96 HB1 ASP 96 16.069 5.201 3.242 754 H GLY 97 HN GLY 97 17.535 3.145 6.734 755 HA2 GLY 97 HA2 GLY 97 18.110 5.818 7.661 756 HA3 GLY 97 HA1 GLY 97 17.208 4.776 8.777 757 H GLN 98 HN GLN 98 19.505 3.877 6.386 758 HA GLN 98 HA GLN 98 20.714 2.018 8.203 759 HB2 GLN 98 HB2 GLN 98 21.343 2.647 5.342 760 HB3 GLN 98 HB1 GLN 98 21.957 1.259 6.237 761 HG2 GLN 98 HG2 GLN 98 19.642 0.449 6.535 762 HG3 GLN 98 HG1 GLN 98 19.061 1.816 5.593 763 HE21 GLN 98 HE21 GLN 98 21.302 1.642 3.723 764 HE22 GLN 98 HE22 GLN 98 20.992 0.268 2.723 Start of MODEL 4 1 H MET 3 HT1 MET 3 11.340 4.462 -5.601 2 HA MET 3 HA MET 3 13.304 6.657 -5.362 3 HB2 MET 3 HB2 MET 3 13.651 3.891 -6.603 4 HB3 MET 3 HB1 MET 3 14.840 5.180 -6.620 5 HG2 MET 3 HG2 MET 3 15.023 5.078 -4.244 6 HG3 MET 3 HG1 MET 3 13.790 3.823 -4.157 7 HE1 MET 3 HE1 MET 3 18.023 3.265 -5.940 8 HE2 MET 3 HE2 MET 3 17.454 4.750 -5.171 9 HE3 MET 3 HE3 MET 3 16.793 4.249 -6.729 10 H THR 4 HN THR 4 12.556 4.377 -7.963 11 HA THR 4 HA THR 4 11.844 6.603 -9.669 12 HB THR 4 HB THR 4 11.686 4.565 -11.291 13 HG1 THR 4 HG1 THR 4 13.597 3.232 -9.961 14 HG21 THR 4 HG21 THR 4 13.470 6.279 -11.412 15 HG22 THR 4 HG22 THR 4 14.126 4.672 -11.711 16 HG23 THR 4 HG23 THR 4 14.354 5.438 -10.140 17 H SER 5 HN SER 5 9.757 6.858 -10.384 18 HA SER 5 HA SER 5 7.746 6.046 -8.688 19 HB2 SER 5 HB2 SER 5 7.649 8.069 -10.163 20 HB3 SER 5 HB1 SER 5 7.321 7.007 -11.530 21 HG SER 5 HG SER 5 5.706 7.864 -9.503 22 HA PRO 6 HA PRO 6 6.234 2.658 -11.860 23 HB2 PRO 6 HB2 PRO 6 8.275 1.518 -13.346 24 HB3 PRO 6 HB1 PRO 6 7.120 2.703 -13.968 25 HG2 PRO 6 HG2 PRO 6 9.895 3.104 -12.953 26 HG3 PRO 6 HG1 PRO 6 9.102 3.847 -14.355 27 HD2 PRO 6 HD2 PRO 6 9.403 5.200 -12.068 28 HD3 PRO 6 HD1 PRO 6 7.924 5.358 -13.039 29 H GLN 7 HN GLN 7 9.604 2.430 -10.684 30 HA GLN 7 HA GLN 7 9.321 -0.319 -10.019 31 HB2 GLN 7 HB2 GLN 7 11.469 1.684 -9.448 32 HB3 GLN 7 HB1 GLN 7 11.484 0.136 -8.622 33 HG2 GLN 7 HG2 GLN 7 12.943 0.206 -10.618 34 HG3 GLN 7 HG1 GLN 7 11.705 -1.037 -10.713 35 HE21 GLN 7 HE21 GLN 7 10.121 -0.874 -12.269 36 HE22 GLN 7 HE22 GLN 7 10.208 0.263 -13.564 37 H LEU 8 HN LEU 8 9.097 2.655 -8.306 38 HA LEU 8 HA LEU 8 8.841 1.800 -5.675 39 HB2 LEU 8 HB2 LEU 8 9.155 4.125 -6.551 40 HB3 LEU 8 HB1 LEU 8 7.511 4.104 -7.115 41 HG LEU 8 HG LEU 8 7.895 5.456 -5.115 42 HD11 LEU 8 HD11 LEU 8 5.661 4.492 -5.577 43 HD12 LEU 8 HD12 LEU 8 5.981 4.809 -3.870 44 HD13 LEU 8 HD13 LEU 8 6.057 3.152 -4.490 45 HD21 LEU 8 HD21 LEU 8 8.489 2.832 -3.774 46 HD22 LEU 8 HD22 LEU 8 8.266 4.371 -2.945 47 HD23 LEU 8 HD23 LEU 8 9.623 4.153 -4.055 48 H GLU 9 HN GLU 9 6.314 2.570 -8.082 49 HA GLU 9 HA GLU 9 4.233 1.588 -6.470 50 HB2 GLU 9 HB2 GLU 9 3.948 3.200 -8.259 51 HB3 GLU 9 HB1 GLU 9 4.218 1.942 -9.475 52 HG2 GLU 9 HG2 GLU 9 2.265 0.714 -8.282 53 HG3 GLU 9 HG1 GLU 9 1.906 2.282 -7.573 54 H TRP 10 HN TRP 10 6.287 0.077 -8.918 55 HA TRP 10 HA TRP 10 4.989 -2.349 -9.223 56 HB2 TRP 10 HB2 TRP 10 6.961 -1.950 -10.579 57 HB3 TRP 10 HB1 TRP 10 7.973 -1.773 -9.147 58 HD1 TRP 10 HD1 TRP 10 6.269 -4.473 -11.279 59 HE1 TRP 10 HE1 TRP 10 7.281 -6.759 -10.704 60 HE3 TRP 10 HE3 TRP 10 9.233 -3.110 -7.357 61 HZ2 TRP 10 HZ2 TRP 10 9.100 -7.854 -8.839 62 HZ3 TRP 10 HZ3 TRP 10 10.569 -4.832 -6.231 63 HH2 TRP 10 HH2 TRP 10 10.513 -7.133 -6.931 64 H THR 11 HN THR 11 7.228 -1.362 -6.690 65 HA THR 11 HA THR 11 7.232 -3.912 -5.489 66 HB THR 11 HB THR 11 7.858 -1.320 -4.052 67 HG1 THR 11 HG1 THR 11 9.089 -1.402 -6.025 68 HG21 THR 11 HG21 THR 11 8.930 -4.120 -3.824 69 HG22 THR 11 HG22 THR 11 7.714 -3.420 -2.766 70 HG23 THR 11 HG23 THR 11 9.353 -2.746 -2.796 71 H LEU 12 HN LEU 12 5.268 -1.086 -5.044 72 HA LEU 12 HA LEU 12 3.891 -1.942 -2.766 73 HB2 LEU 12 HB2 LEU 12 3.053 -0.253 -5.061 74 HB3 LEU 12 HB1 LEU 12 2.099 -0.373 -3.587 75 HG LEU 12 HG LEU 12 4.809 0.899 -3.974 76 HD11 LEU 12 HD11 LEU 12 2.099 1.993 -3.245 77 HD12 LEU 12 HD12 LEU 12 2.958 2.231 -4.760 78 HD13 LEU 12 HD13 LEU 12 3.595 2.930 -3.269 79 HD21 LEU 12 HD21 LEU 12 4.672 1.525 -1.604 80 HD22 LEU 12 HD22 LEU 12 4.774 -0.222 -1.822 81 HD23 LEU 12 HD23 LEU 12 3.222 0.531 -1.437 82 H GLN 13 HN GLN 13 3.089 -2.027 -6.272 83 HA GLN 13 HA GLN 13 0.626 -3.322 -6.069 84 HB2 GLN 13 HB2 GLN 13 0.804 -3.823 -8.526 85 HB3 GLN 13 HB1 GLN 13 1.153 -2.145 -8.119 86 HG2 GLN 13 HG2 GLN 13 3.335 -2.366 -8.445 87 HG3 GLN 13 HG1 GLN 13 3.314 -4.130 -8.493 88 HE21 GLN 13 HE21 GLN 13 1.092 -4.408 -10.251 89 HE22 GLN 13 HE22 GLN 13 1.550 -3.789 -11.802 90 H THR 14 HN THR 14 3.826 -4.676 -6.499 91 HA THR 14 HA THR 14 3.053 -7.267 -7.075 92 HB THR 14 HB THR 14 5.498 -6.278 -5.599 93 HG1 THR 14 HG1 THR 14 5.648 -5.381 -7.522 94 HG21 THR 14 HG21 THR 14 5.219 -8.723 -5.398 95 HG22 THR 14 HG22 THR 14 6.581 -8.276 -6.442 96 HG23 THR 14 HG23 THR 14 5.057 -8.822 -7.160 97 H LEU 15 HN LEU 15 3.227 -5.630 -3.988 98 HA LEU 15 HA LEU 15 2.758 -7.976 -2.409 99 HB2 LEU 15 HB2 LEU 15 2.357 -5.068 -1.781 100 HB3 LEU 15 HB1 LEU 15 2.362 -6.367 -0.610 101 HG LEU 15 HG LEU 15 4.774 -5.691 -2.292 102 HD11 LEU 15 HD11 LEU 15 4.201 -3.769 -0.903 103 HD12 LEU 15 HD12 LEU 15 5.649 -4.578 -0.303 104 HD13 LEU 15 HD13 LEU 15 4.103 -4.816 0.515 105 HD21 LEU 15 HD21 LEU 15 4.711 -7.966 -1.362 106 HD22 LEU 15 HD22 LEU 15 4.455 -7.304 0.252 107 HD23 LEU 15 HD23 LEU 15 5.955 -6.992 -0.591 108 H LEU 16 HN LEU 16 0.827 -5.195 -3.463 109 HA LEU 16 HA LEU 16 -1.551 -6.153 -2.316 110 HB2 LEU 16 HB2 LEU 16 -1.032 -3.922 -4.252 111 HB3 LEU 16 HB1 LEU 16 -2.669 -4.434 -3.885 112 HG LEU 16 HG LEU 16 -2.411 -3.827 -1.556 113 HD11 LEU 16 HD11 LEU 16 -0.107 -4.383 -1.226 114 HD12 LEU 16 HD12 LEU 16 -0.440 -2.727 -0.694 115 HD13 LEU 16 HD13 LEU 16 0.403 -3.017 -2.224 116 HD21 LEU 16 HD21 LEU 16 -1.453 -1.652 -3.388 117 HD22 LEU 16 HD22 LEU 16 -2.161 -1.427 -1.786 118 HD23 LEU 16 HD23 LEU 16 -3.126 -2.128 -3.088 119 H GLU 17 HN GLU 17 -0.138 -6.761 -5.407 120 HA GLU 17 HA GLU 17 -2.464 -7.858 -6.604 121 HB2 GLU 17 HB2 GLU 17 0.473 -8.316 -7.194 122 HB3 GLU 17 HB1 GLU 17 -0.822 -9.030 -8.144 123 HG2 GLU 17 HG2 GLU 17 -1.604 -6.779 -8.752 124 HG3 GLU 17 HG1 GLU 17 -0.307 -6.053 -7.826 125 H GLN 18 HN GLN 18 -0.429 -8.929 -4.136 126 HA GLN 18 HA GLN 18 -1.254 -11.703 -4.422 127 HB2 GLN 18 HB2 GLN 18 0.708 -10.299 -2.630 128 HB3 GLN 18 HB1 GLN 18 0.245 -11.983 -2.379 129 HG2 GLN 18 HG2 GLN 18 1.130 -12.563 -4.558 130 HG3 GLN 18 HG1 GLN 18 1.476 -10.863 -4.878 131 HE21 GLN 18 HE21 GLN 18 3.194 -9.905 -3.911 132 HE22 GLN 18 HE22 GLN 18 4.456 -10.785 -3.125 133 H LEU 19 HN LEU 19 -2.405 -8.875 -3.056 134 HA LEU 19 HA LEU 19 -4.108 -10.463 -1.336 135 HB2 LEU 19 HB2 LEU 19 -3.943 -9.056 0.506 136 HB3 LEU 19 HB1 LEU 19 -2.282 -9.461 0.076 137 HG LEU 19 HG LEU 19 -2.824 -7.056 -1.196 138 HD11 LEU 19 HD11 LEU 19 -4.056 -6.953 1.528 139 HD12 LEU 19 HD12 LEU 19 -4.838 -6.806 -0.050 140 HD13 LEU 19 HD13 LEU 19 -3.699 -5.560 0.479 141 HD21 LEU 19 HD21 LEU 19 -1.333 -6.037 0.427 142 HD22 LEU 19 HD22 LEU 19 -0.730 -7.570 -0.189 143 HD23 LEU 19 HD23 LEU 19 -1.434 -7.486 1.443 144 H ASN 20 HN ASN 20 -5.877 -10.195 -2.529 145 HA ASN 20 HA ASN 20 -7.075 -7.616 -2.512 146 HB2 ASN 20 HB2 ASN 20 -7.326 -7.254 -4.947 147 HB3 ASN 20 HB1 ASN 20 -5.687 -7.086 -4.305 148 HD21 ASN 20 HD21 ASN 20 -4.262 -8.645 -4.658 149 HD22 ASN 20 HD22 ASN 20 -4.318 -9.735 -6.019 150 H GLU 21 HN GLU 21 -7.567 -10.776 -2.471 151 HA GLU 21 HA GLU 21 -10.056 -10.766 -3.833 152 HB2 GLU 21 HB2 GLU 21 -8.787 -12.845 -3.600 153 HB3 GLU 21 HB1 GLU 21 -8.870 -12.726 -1.852 154 HG2 GLU 21 HG2 GLU 21 -11.279 -13.054 -1.943 155 HG3 GLU 21 HG1 GLU 21 -11.195 -13.152 -3.703 156 H ASP 22 HN ASP 22 -9.753 -11.735 -0.427 157 HA ASP 22 HA ASP 22 -11.945 -9.904 0.183 158 HB2 ASP 22 HB2 ASP 22 -12.237 -12.266 0.866 159 HB3 ASP 22 HB1 ASP 22 -10.754 -12.160 1.797 160 H GLU 23 HN GLU 23 -8.779 -10.650 0.671 161 HA GLU 23 HA GLU 23 -7.659 -9.443 2.806 162 HB2 GLU 23 HB2 GLU 23 -6.391 -8.857 0.272 163 HB3 GLU 23 HB1 GLU 23 -5.706 -9.772 1.629 164 HG2 GLU 23 HG2 GLU 23 -7.553 -10.657 -0.566 165 HG3 GLU 23 HG1 GLU 23 -5.840 -11.016 -0.461 166 H LEU 24 HN LEU 24 -8.557 -8.020 -0.259 167 HA LEU 24 HA LEU 24 -7.474 -5.444 0.002 168 HB2 LEU 24 HB2 LEU 24 -8.620 -6.742 -2.023 169 HB3 LEU 24 HB1 LEU 24 -10.025 -5.927 -1.422 170 HG LEU 24 HG LEU 24 -8.843 -3.749 -1.688 171 HD11 LEU 24 HD11 LEU 24 -6.904 -3.694 -3.159 172 HD12 LEU 24 HD12 LEU 24 -6.837 -5.454 -3.140 173 HD13 LEU 24 HD13 LEU 24 -6.557 -4.546 -1.655 174 HD21 LEU 24 HD21 LEU 24 -9.157 -5.434 -4.161 175 HD22 LEU 24 HD22 LEU 24 -9.203 -3.674 -4.083 176 HD23 LEU 24 HD23 LEU 24 -10.473 -4.625 -3.310 177 H LYS 25 HN LYS 25 -10.545 -6.803 0.952 178 HA LYS 25 HA LYS 25 -11.970 -4.443 1.557 179 HB2 LYS 25 HB2 LYS 25 -12.154 -7.246 2.664 180 HB3 LYS 25 HB1 LYS 25 -13.375 -6.002 2.888 181 HG2 LYS 25 HG2 LYS 25 -14.035 -6.069 0.681 182 HG3 LYS 25 HG1 LYS 25 -12.531 -6.831 0.136 183 HD2 LYS 25 HD2 LYS 25 -13.123 -8.853 1.148 184 HD3 LYS 25 HD1 LYS 25 -14.540 -8.162 1.948 185 HE2 LYS 25 HE2 LYS 25 -15.262 -9.438 0.017 186 HE3 LYS 25 HE1 LYS 25 -15.518 -7.727 -0.296 187 HZ1 LYS 25 HZ1 LYS 25 -13.483 -7.734 -1.694 188 HZ2 LYS 25 HZ2 LYS 25 -14.611 -8.858 -2.200 189 HZ3 LYS 25 HZ3 LYS 25 -13.279 -9.387 -1.366 190 H SER 26 HN SER 26 -9.942 -6.673 3.457 191 HA SER 26 HA SER 26 -10.072 -5.450 5.876 192 HB2 SER 26 HB2 SER 26 -8.042 -7.067 4.423 193 HB3 SER 26 HB1 SER 26 -7.978 -6.731 6.139 194 HG SER 26 HG SER 26 -9.553 -8.126 6.450 195 H PHE 27 HN PHE 27 -7.646 -5.281 3.272 196 HA PHE 27 HA PHE 27 -5.824 -3.585 4.425 197 HB2 PHE 27 HB2 PHE 27 -5.497 -4.921 2.408 198 HB3 PHE 27 HB1 PHE 27 -6.591 -3.874 1.531 199 HD1 PHE 27 HD1 PHE 27 -5.813 -1.472 1.091 200 HD2 PHE 27 HD2 PHE 27 -3.218 -4.450 2.650 201 HE1 PHE 27 HE1 PHE 27 -3.863 -0.114 0.435 202 HE2 PHE 27 HE2 PHE 27 -1.268 -3.092 2.008 203 HZ PHE 27 HZ PHE 27 -1.592 -0.923 0.900 204 H LYS 28 HN LYS 28 -8.604 -2.709 2.379 205 HA LYS 28 HA LYS 28 -8.283 0.058 2.263 206 HB2 LYS 28 HB2 LYS 28 -10.837 -1.553 2.404 207 HB3 LYS 28 HB1 LYS 28 -10.772 0.154 2.000 208 HG2 LYS 28 HG2 LYS 28 -9.606 -0.305 -0.031 209 HG3 LYS 28 HG1 LYS 28 -9.388 -2.000 0.419 210 HD2 LYS 28 HD2 LYS 28 -11.847 -2.290 0.394 211 HD3 LYS 28 HD1 LYS 28 -12.022 -0.619 -0.123 212 HE2 LYS 28 HE2 LYS 28 -10.870 -1.065 -2.184 213 HE3 LYS 28 HE1 LYS 28 -10.462 -2.690 -1.647 214 HZ1 LYS 28 HZ1 LYS 28 -13.269 -1.780 -2.040 215 HZ2 LYS 28 HZ2 LYS 28 -12.733 -3.365 -1.860 216 HZ3 LYS 28 HZ3 LYS 28 -12.365 -2.492 -3.236 217 H SER 29 HN SER 29 -9.961 -1.901 4.682 218 HA SER 29 HA SER 29 -10.929 0.344 6.150 219 HB2 SER 29 HB2 SER 29 -11.866 -2.118 6.020 220 HB3 SER 29 HB1 SER 29 -10.641 -2.442 7.202 221 HG SER 29 HG SER 29 -12.999 -1.098 7.537 222 H LEU 30 HN LEU 30 -8.261 -1.900 6.438 223 HA LEU 30 HA LEU 30 -7.409 -1.136 9.008 224 HB2 LEU 30 HB2 LEU 30 -6.088 -2.515 6.735 225 HB3 LEU 30 HB1 LEU 30 -5.255 -2.274 8.255 226 HG LEU 30 HG LEU 30 -7.900 -3.716 7.986 227 HD11 LEU 30 HD11 LEU 30 -6.621 -5.765 8.195 228 HD12 LEU 30 HD12 LEU 30 -5.113 -4.824 8.063 229 HD13 LEU 30 HD13 LEU 30 -6.274 -4.858 6.726 230 HD21 LEU 30 HD21 LEU 30 -5.870 -3.612 10.215 231 HD22 LEU 30 HD22 LEU 30 -7.321 -4.611 10.197 232 HD23 LEU 30 HD23 LEU 30 -7.464 -2.855 10.225 233 H LEU 31 HN LEU 31 -6.540 -0.016 5.783 234 HA LEU 31 HA LEU 31 -4.489 1.639 6.845 235 HB2 LEU 31 HB2 LEU 31 -4.024 2.277 4.638 236 HB3 LEU 31 HB1 LEU 31 -4.718 0.685 4.456 237 HG LEU 31 HG LEU 31 -6.931 2.047 3.993 238 HD11 LEU 31 HD11 LEU 31 -4.777 4.014 3.234 239 HD12 LEU 31 HD12 LEU 31 -6.005 4.237 4.479 240 HD13 LEU 31 HD13 LEU 31 -6.478 4.124 2.783 241 HD21 LEU 31 HD21 LEU 31 -4.693 1.775 1.991 242 HD22 LEU 31 HD22 LEU 31 -6.400 1.992 1.601 243 HD23 LEU 31 HD23 LEU 31 -5.860 0.525 2.417 244 H TRP 32 HN TRP 32 -7.891 1.917 6.413 245 HA TRP 32 HA TRP 32 -7.892 4.762 6.692 246 HB2 TRP 32 HB2 TRP 32 -9.721 2.943 5.766 247 HB3 TRP 32 HB1 TRP 32 -10.394 3.375 7.337 248 HD1 TRP 32 HD1 TRP 32 -11.805 5.583 7.365 249 HE1 TRP 32 HE1 TRP 32 -12.073 7.576 5.734 250 HE3 TRP 32 HE3 TRP 32 -8.288 4.288 4.056 251 HZ2 TRP 32 HZ2 TRP 32 -10.890 8.477 3.319 252 HZ3 TRP 32 HZ3 TRP 32 -7.850 5.758 2.051 253 HH2 TRP 32 HH2 TRP 32 -9.139 7.805 1.715 254 H ALA 33 HN ALA 33 -7.588 2.125 8.735 255 HA ALA 33 HA ALA 33 -8.945 3.177 11.047 256 HB1 ALA 33 HB1 ALA 33 -8.173 1.178 12.176 257 HB2 ALA 33 HB2 ALA 33 -7.142 0.788 10.797 258 HB3 ALA 33 HB3 ALA 33 -8.895 0.780 10.616 259 H PHE 34 HN PHE 34 -5.589 2.892 9.939 260 HA PHE 34 HA PHE 34 -4.651 3.802 12.485 261 HB2 PHE 34 HB2 PHE 34 -2.438 3.506 11.636 262 HB3 PHE 34 HB1 PHE 34 -3.366 2.265 10.830 263 HD1 PHE 34 HD1 PHE 34 -1.796 5.565 10.392 264 HD2 PHE 34 HD2 PHE 34 -3.491 2.177 8.498 265 HE1 PHE 34 HE1 PHE 34 -0.946 6.369 8.255 266 HE2 PHE 34 HE2 PHE 34 -2.650 2.982 6.314 267 HZ PHE 34 HZ PHE 34 -1.393 5.082 6.190 268 HA PRO 35 HA PRO 35 -5.214 8.104 11.792 269 HB2 PRO 35 HB2 PRO 35 -2.836 9.065 12.903 270 HB3 PRO 35 HB1 PRO 35 -4.345 8.779 13.773 271 HG2 PRO 35 HG2 PRO 35 -1.885 7.133 13.663 272 HG3 PRO 35 HG1 PRO 35 -3.091 7.268 14.944 273 HD2 PRO 35 HD2 PRO 35 -2.894 5.125 13.258 274 HD3 PRO 35 HD1 PRO 35 -4.400 5.617 14.054 275 H LEU 36 HN LEU 36 -5.074 8.804 9.790 276 HA LEU 36 HA LEU 36 -2.877 8.225 8.063 277 HB2 LEU 36 HB2 LEU 36 -5.197 10.072 7.588 278 HB3 LEU 36 HB1 LEU 36 -4.136 9.408 6.365 279 HG LEU 36 HG LEU 36 -6.137 7.890 8.033 280 HD11 LEU 36 HD11 LEU 36 -7.182 7.410 5.912 281 HD12 LEU 36 HD12 LEU 36 -5.931 8.334 5.086 282 HD13 LEU 36 HD13 LEU 36 -7.068 9.160 6.163 283 HD21 LEU 36 HD21 LEU 36 -5.473 5.934 6.790 284 HD22 LEU 36 HD22 LEU 36 -4.118 6.569 7.722 285 HD23 LEU 36 HD23 LEU 36 -4.216 6.857 5.980 286 H GLU 37 HN GLU 37 -1.444 9.628 7.066 287 HA GLU 37 HA GLU 37 -1.224 12.319 8.206 288 HB2 GLU 37 HB2 GLU 37 1.190 10.548 7.853 289 HB3 GLU 37 HB1 GLU 37 1.064 12.061 8.718 290 HG2 GLU 37 HG2 GLU 37 -0.385 10.926 10.391 291 HG3 GLU 37 HG1 GLU 37 -0.071 9.419 9.523 292 H ASP 38 HN ASP 38 1.016 13.128 6.979 293 HA ASP 38 HA ASP 38 1.801 14.059 5.160 294 HB2 ASP 38 HB2 ASP 38 2.800 11.807 4.892 295 HB3 ASP 38 HB1 ASP 38 1.425 11.315 3.918 296 H VAL 39 HN VAL 39 0.041 12.163 2.867 297 HA VAL 39 HA VAL 39 -1.813 14.407 2.491 298 HB VAL 39 HB VAL 39 -0.392 12.960 0.200 299 HG11 VAL 39 HG11 VAL 39 -2.546 13.775 -0.480 300 HG12 VAL 39 HG12 VAL 39 -1.280 14.743 -1.244 301 HG13 VAL 39 HG13 VAL 39 -2.176 15.390 0.132 302 HG21 VAL 39 HG21 VAL 39 0.857 15.039 -0.203 303 HG22 VAL 39 HG22 VAL 39 1.219 14.344 1.379 304 HG23 VAL 39 HG23 VAL 39 0.144 15.736 1.253 305 H LEU 40 HN LEU 40 -1.710 11.544 3.577 306 HA LEU 40 HA LEU 40 -3.332 9.997 1.769 307 HB2 LEU 40 HB2 LEU 40 -1.520 9.140 3.307 308 HB3 LEU 40 HB1 LEU 40 -2.614 9.423 4.636 309 HG LEU 40 HG LEU 40 -4.172 7.747 3.677 310 HD11 LEU 40 HD11 LEU 40 -3.441 6.355 1.815 311 HD12 LEU 40 HD12 LEU 40 -1.930 7.258 1.715 312 HD13 LEU 40 HD13 LEU 40 -3.437 8.050 1.298 313 HD21 LEU 40 HD21 LEU 40 -1.361 6.728 3.969 314 HD22 LEU 40 HD22 LEU 40 -2.849 5.834 4.308 315 HD23 LEU 40 HD23 LEU 40 -2.367 7.204 5.318 316 H GLN 41 HN GLN 41 -4.010 12.472 3.723 317 HA GLN 41 HA GLN 41 -6.332 11.477 5.078 318 HB2 GLN 41 HB2 GLN 41 -5.266 14.276 4.742 319 HB3 GLN 41 HB1 GLN 41 -6.624 13.834 5.767 320 HG2 GLN 41 HG2 GLN 41 -5.224 12.500 7.172 321 HG3 GLN 41 HG1 GLN 41 -3.855 12.700 6.080 322 HE21 GLN 41 HE21 GLN 41 -5.845 14.222 8.468 323 HE22 GLN 41 HE22 GLN 41 -4.802 15.570 8.756 324 H LYS 42 HN LYS 42 -5.697 12.887 1.982 325 HA LYS 42 HA LYS 42 -8.580 13.387 1.619 326 HB2 LYS 42 HB2 LYS 42 -8.060 14.843 -0.211 327 HB3 LYS 42 HB1 LYS 42 -7.034 15.296 1.139 328 HG2 LYS 42 HG2 LYS 42 -5.125 14.275 0.119 329 HG3 LYS 42 HG1 LYS 42 -6.125 13.537 -1.128 330 HD2 LYS 42 HD2 LYS 42 -6.755 15.831 -1.884 331 HD3 LYS 42 HD1 LYS 42 -5.585 16.476 -0.730 332 HE2 LYS 42 HE2 LYS 42 -3.787 15.313 -1.846 333 HE3 LYS 42 HE1 LYS 42 -4.935 14.538 -2.932 334 HZ1 LYS 42 HZ1 LYS 42 -4.406 17.461 -2.790 335 HZ2 LYS 42 HZ2 LYS 42 -5.475 16.701 -3.855 336 HZ3 LYS 42 HZ3 LYS 42 -3.821 16.418 -3.973 337 H THR 43 HN THR 43 -6.668 10.843 1.230 338 HA THR 43 HA THR 43 -6.724 10.065 -1.391 339 HB THR 43 HB THR 43 -6.982 8.314 1.065 340 HG1 THR 43 HG1 THR 43 -4.517 8.884 -0.156 341 HG21 THR 43 HG21 THR 43 -5.748 7.796 -1.656 342 HG22 THR 43 HG22 THR 43 -7.284 7.133 -1.102 343 HG23 THR 43 HG23 THR 43 -5.779 6.663 -0.304 344 HA PRO 44 HA PRO 44 -11.044 9.831 -2.104 345 HB2 PRO 44 HB2 PRO 44 -10.884 8.843 -4.661 346 HB3 PRO 44 HB1 PRO 44 -10.662 10.547 -4.248 347 HG2 PRO 44 HG2 PRO 44 -8.607 8.441 -4.778 348 HG3 PRO 44 HG1 PRO 44 -8.606 10.143 -5.265 349 HD2 PRO 44 HD2 PRO 44 -7.153 9.224 -3.176 350 HD3 PRO 44 HD1 PRO 44 -7.817 10.851 -3.196 351 H TRP 45 HN TRP 45 -11.789 8.254 -0.777 352 HA TRP 45 HA TRP 45 -11.167 5.523 -0.833 353 HB2 TRP 45 HB2 TRP 45 -12.221 6.509 1.129 354 HB3 TRP 45 HB1 TRP 45 -13.651 6.930 0.198 355 HD1 TRP 45 HD1 TRP 45 -15.268 4.860 -0.517 356 HE1 TRP 45 HE1 TRP 45 -15.736 2.609 0.626 357 HE3 TRP 45 HE3 TRP 45 -11.162 4.631 2.494 358 HZ2 TRP 45 HZ2 TRP 45 -14.514 0.944 2.541 359 HZ3 TRP 45 HZ3 TRP 45 -10.882 2.668 3.945 360 HH2 TRP 45 HH2 TRP 45 -12.524 0.868 3.972 361 H SER 46 HN SER 46 -13.614 7.353 -2.610 362 HA SER 46 HA SER 46 -15.112 5.221 -3.556 363 HB2 SER 46 HB2 SER 46 -14.467 7.826 -4.943 364 HB3 SER 46 HB1 SER 46 -15.834 6.771 -5.314 365 HG SER 46 HG SER 46 -16.705 7.192 -3.361 366 H GLU 47 HN GLU 47 -12.008 6.442 -4.604 367 HA GLU 47 HA GLU 47 -11.940 4.773 -6.941 368 HB2 GLU 47 HB2 GLU 47 -9.864 6.517 -5.630 369 HB3 GLU 47 HB1 GLU 47 -9.562 5.571 -7.083 370 HG2 GLU 47 HG2 GLU 47 -11.630 7.735 -6.795 371 HG3 GLU 47 HG1 GLU 47 -10.064 7.903 -7.589 372 H VAL 48 HN VAL 48 -10.542 4.813 -3.689 373 HA VAL 48 HA VAL 48 -8.794 2.619 -4.030 374 HB VAL 48 HB VAL 48 -8.401 2.604 -1.729 375 HG11 VAL 48 HG11 VAL 48 -7.781 4.703 -2.504 376 HG12 VAL 48 HG12 VAL 48 -8.403 4.841 -0.850 377 HG13 VAL 48 HG13 VAL 48 -9.405 5.330 -2.212 378 HG21 VAL 48 HG21 VAL 48 -9.975 3.351 0.054 379 HG22 VAL 48 HG22 VAL 48 -10.533 1.952 -0.854 380 HG23 VAL 48 HG23 VAL 48 -11.222 3.534 -1.189 381 H GLU 49 HN GLU 49 -12.114 2.872 -3.519 382 HA GLU 49 HA GLU 49 -12.753 0.354 -2.483 383 HB2 GLU 49 HB2 GLU 49 -14.017 2.721 -3.037 384 HB3 GLU 49 HB1 GLU 49 -14.813 1.518 -4.053 385 HG2 GLU 49 HG2 GLU 49 -14.165 1.065 -1.249 386 HG3 GLU 49 HG1 GLU 49 -15.684 1.842 -1.691 387 H GLU 50 HN GLU 50 -12.835 1.679 -5.765 388 HA GLU 50 HA GLU 50 -13.829 -0.821 -6.572 389 HB2 GLU 50 HB2 GLU 50 -13.299 1.668 -8.191 390 HB3 GLU 50 HB1 GLU 50 -14.024 0.214 -8.862 391 HG2 GLU 50 HG2 GLU 50 -15.867 0.398 -7.257 392 HG3 GLU 50 HG1 GLU 50 -15.140 1.864 -6.608 393 H ALA 51 HN ALA 51 -10.874 0.597 -6.226 394 HA ALA 51 HA ALA 51 -9.380 -0.762 -8.340 395 HB1 ALA 51 HB1 ALA 51 -8.796 1.496 -7.714 396 HB2 ALA 51 HB2 ALA 51 -7.493 0.367 -7.305 397 HB3 ALA 51 HB3 ALA 51 -8.559 0.980 -6.050 398 H ASP 52 HN ASP 52 -7.883 -2.268 -8.017 399 HA ASP 52 HA ASP 52 -7.625 -3.464 -5.377 400 HB2 ASP 52 HB2 ASP 52 -7.829 -5.677 -6.251 401 HB3 ASP 52 HB1 ASP 52 -9.286 -4.808 -6.690 402 H GLY 53 HN GLY 53 -5.735 -4.706 -5.238 403 HA2 GLY 53 HA2 GLY 53 -3.471 -5.070 -5.494 404 HA3 GLY 53 HA1 GLY 53 -3.939 -5.397 -7.142 405 H LYS 54 HN LYS 54 -3.244 -4.165 -8.704 406 HA LYS 54 HA LYS 54 -1.075 -2.347 -8.311 407 HB2 LYS 54 HB2 LYS 54 -1.576 -3.800 -10.338 408 HB3 LYS 54 HB1 LYS 54 -2.737 -2.550 -10.781 409 HG2 LYS 54 HG2 LYS 54 -0.568 -1.058 -10.238 410 HG3 LYS 54 HG1 LYS 54 0.187 -2.513 -10.837 411 HD2 LYS 54 HD2 LYS 54 -0.120 -1.377 -12.812 412 HD3 LYS 54 HD1 LYS 54 -1.627 -2.300 -12.722 413 HE2 LYS 54 HE2 LYS 54 -2.426 -0.165 -13.125 414 HE3 LYS 54 HE1 LYS 54 -2.434 -0.347 -11.351 415 HZ1 LYS 54 HZ1 LYS 54 -0.335 0.907 -11.212 416 HZ2 LYS 54 HZ2 LYS 54 -1.446 1.834 -12.079 417 HZ3 LYS 54 HZ3 LYS 54 -0.281 0.977 -12.880 418 H LYS 55 HN LYS 55 -4.459 -1.959 -9.119 419 HA LYS 55 HA LYS 55 -4.233 0.745 -9.708 420 HB2 LYS 55 HB2 LYS 55 -6.579 -0.958 -9.007 421 HB3 LYS 55 HB1 LYS 55 -6.774 0.775 -9.159 422 HG2 LYS 55 HG2 LYS 55 -5.731 -1.068 -11.271 423 HG3 LYS 55 HG1 LYS 55 -7.398 -0.469 -11.168 424 HD2 LYS 55 HD2 LYS 55 -4.898 1.221 -11.586 425 HD3 LYS 55 HD1 LYS 55 -6.087 0.816 -12.817 426 HE2 LYS 55 HE2 LYS 55 -7.812 2.038 -11.566 427 HE3 LYS 55 HE1 LYS 55 -6.637 2.437 -10.319 428 HZ1 LYS 55 HZ1 LYS 55 -5.361 3.666 -11.972 429 HZ2 LYS 55 HZ2 LYS 55 -6.923 4.277 -11.837 430 HZ3 LYS 55 HZ3 LYS 55 -6.516 3.317 -13.154 431 H LEU 56 HN LEU 56 -4.960 -0.996 -6.802 432 HA LEU 56 HA LEU 56 -5.666 1.264 -5.266 433 HB2 LEU 56 HB2 LEU 56 -6.280 -1.053 -4.645 434 HB3 LEU 56 HB1 LEU 56 -4.601 -1.386 -4.320 435 HG LEU 56 HG LEU 56 -4.577 0.177 -2.457 436 HD11 LEU 56 HD11 LEU 56 -7.479 0.665 -3.128 437 HD12 LEU 56 HD12 LEU 56 -6.162 1.829 -3.278 438 HD13 LEU 56 HD13 LEU 56 -6.644 1.240 -1.688 439 HD21 LEU 56 HD21 LEU 56 -5.257 -2.119 -2.029 440 HD22 LEU 56 HD22 LEU 56 -6.936 -1.680 -2.348 441 HD23 LEU 56 HD23 LEU 56 -6.093 -0.992 -0.963 442 H ALA 57 HN ALA 57 -2.625 -0.486 -5.697 443 HA ALA 57 HA ALA 57 -0.961 0.961 -3.962 444 HB1 ALA 57 HB1 ALA 57 0.872 0.212 -5.407 445 HB2 ALA 57 HB2 ALA 57 -0.293 -0.244 -6.650 446 HB3 ALA 57 HB3 ALA 57 -0.276 -1.094 -5.110 447 H GLU 58 HN GLU 58 -2.095 1.636 -7.174 448 HA GLU 58 HA GLU 58 -0.443 3.833 -7.795 449 HB2 GLU 58 HB2 GLU 58 -1.556 2.440 -9.466 450 HB3 GLU 58 HB1 GLU 58 -3.122 2.940 -8.866 451 HG2 GLU 58 HG2 GLU 58 -2.792 5.156 -9.696 452 HG3 GLU 58 HG1 GLU 58 -1.116 4.789 -10.117 453 H ILE 59 HN ILE 59 -3.460 3.475 -6.086 454 HA ILE 59 HA ILE 59 -4.008 6.279 -6.041 455 HB ILE 59 HB ILE 59 -5.338 3.959 -4.586 456 HG12 ILE 59 HG12 ILE 59 -6.474 5.577 -6.797 457 HG13 ILE 59 HG11 ILE 59 -5.345 4.271 -7.192 458 HG21 ILE 59 HG21 ILE 59 -7.208 5.565 -4.226 459 HG22 ILE 59 HG22 ILE 59 -6.197 6.858 -4.869 460 HG23 ILE 59 HG23 ILE 59 -5.748 6.053 -3.365 461 HD11 ILE 59 HD11 ILE 59 -7.979 4.066 -5.745 462 HD12 ILE 59 HD12 ILE 59 -6.837 2.743 -6.074 463 HD13 ILE 59 HD13 ILE 59 -7.614 3.563 -7.405 464 H LEU 60 HN LEU 60 -2.239 4.041 -4.110 465 HA LEU 60 HA LEU 60 -2.071 5.642 -1.775 466 HB2 LEU 60 HB2 LEU 60 -0.407 3.385 -2.835 467 HB3 LEU 60 HB1 LEU 60 0.281 4.394 -1.589 468 HG LEU 60 HG LEU 60 -0.617 2.382 -0.623 469 HD11 LEU 60 HD11 LEU 60 -0.719 4.369 0.728 470 HD12 LEU 60 HD12 LEU 60 -2.075 3.300 1.079 471 HD13 LEU 60 HD13 LEU 60 -2.327 4.744 0.104 472 HD21 LEU 60 HD21 LEU 60 -3.021 1.876 -0.635 473 HD22 LEU 60 HD22 LEU 60 -2.320 1.809 -2.250 474 HD23 LEU 60 HD23 LEU 60 -3.284 3.204 -1.765 475 H VAL 61 HN VAL 61 0.013 5.385 -4.650 476 HA VAL 61 HA VAL 61 1.698 7.539 -3.774 477 HB VAL 61 HB VAL 61 2.777 7.457 -5.968 478 HG11 VAL 61 HG11 VAL 61 2.236 4.718 -4.864 479 HG12 VAL 61 HG12 VAL 61 3.503 5.836 -4.352 480 HG13 VAL 61 HG13 VAL 61 3.544 5.132 -5.970 481 HG21 VAL 61 HG21 VAL 61 0.655 5.463 -6.733 482 HG22 VAL 61 HG22 VAL 61 2.054 5.921 -7.715 483 HG23 VAL 61 HG23 VAL 61 0.802 7.110 -7.339 484 H ASN 62 HN ASN 62 -1.269 7.343 -5.286 485 HA ASN 62 HA ASN 62 -1.450 9.740 -6.722 486 HB2 ASN 62 HB2 ASN 62 -3.198 8.113 -6.940 487 HB3 ASN 62 HB1 ASN 62 -3.485 8.101 -5.212 488 HD21 ASN 62 HD21 ASN 62 -4.187 9.666 -8.200 489 HD22 ASN 62 HD22 ASN 62 -5.411 10.713 -7.557 490 H THR 63 HN THR 63 -1.382 9.063 -3.332 491 HA THR 63 HA THR 63 -1.964 11.858 -2.799 492 HB THR 63 HB THR 63 -2.714 10.865 -0.454 493 HG1 THR 63 HG1 THR 63 -3.229 8.696 -2.234 494 HG21 THR 63 HG21 THR 63 -4.438 10.641 -2.928 495 HG22 THR 63 HG22 THR 63 -4.091 12.151 -2.084 496 HG23 THR 63 HG23 THR 63 -4.985 10.874 -1.260 497 H SER 64 HN SER 64 -0.436 9.107 -1.100 498 HA SER 64 HA SER 64 1.097 11.004 0.429 499 HB2 SER 64 HB2 SER 64 1.040 8.001 0.528 500 HB3 SER 64 HB1 SER 64 1.871 9.056 1.671 501 HG SER 64 HG SER 64 -0.892 9.089 1.102 502 H SER 65 HN SER 65 3.235 11.029 0.647 503 HA SER 65 HA SER 65 4.862 10.812 -1.637 504 HB2 SER 65 HB2 SER 65 6.705 11.158 0.153 505 HB3 SER 65 HB1 SER 65 5.514 12.433 -0.082 506 HG SER 65 HG SER 65 4.363 11.568 1.719 507 H GLU 66 HN GLU 66 6.327 9.422 -2.282 508 HA GLU 66 HA GLU 66 5.612 6.766 -2.162 509 HB2 GLU 66 HB2 GLU 66 7.655 6.329 -3.407 510 HB3 GLU 66 HB1 GLU 66 6.739 7.681 -4.067 511 HG2 GLU 66 HG2 GLU 66 8.297 9.205 -2.879 512 HG3 GLU 66 HG1 GLU 66 9.202 7.777 -2.374 513 H ASN 67 HN ASN 67 8.163 8.335 -0.261 514 HA ASN 67 HA ASN 67 8.905 5.654 0.621 515 HB2 ASN 67 HB2 ASN 67 10.753 7.218 0.102 516 HB3 ASN 67 HB1 ASN 67 10.234 8.259 1.422 517 HD21 ASN 67 HD21 ASN 67 10.850 7.756 3.473 518 HD22 ASN 67 HD22 ASN 67 11.870 6.442 3.907 519 H TRP 68 HN TRP 68 6.817 8.017 1.575 520 HA TRP 68 HA TRP 68 6.719 7.418 4.379 521 HB2 TRP 68 HB2 TRP 68 5.768 9.488 3.286 522 HB3 TRP 68 HB1 TRP 68 4.545 8.470 2.549 523 HD1 TRP 68 HD1 TRP 68 5.438 10.219 5.714 524 HE1 TRP 68 HE1 TRP 68 3.510 10.013 7.409 525 HE3 TRP 68 HE3 TRP 68 2.606 6.692 3.308 526 HZ2 TRP 68 HZ2 TRP 68 1.113 8.526 7.681 527 HZ3 TRP 68 HZ3 TRP 68 0.547 5.952 4.341 528 HH2 TRP 68 HH2 TRP 68 -0.192 6.841 6.481 529 H ILE 69 HN ILE 69 5.190 6.406 1.421 530 HA ILE 69 HA ILE 69 3.182 4.731 2.376 531 HB ILE 69 HB ILE 69 4.640 4.533 -0.280 532 HG12 ILE 69 HG12 ILE 69 2.098 5.989 0.443 533 HG13 ILE 69 HG11 ILE 69 3.667 6.758 0.238 534 HG21 ILE 69 HG21 ILE 69 2.576 3.465 -1.097 535 HG22 ILE 69 HG22 ILE 69 1.888 3.542 0.525 536 HG23 ILE 69 HG23 ILE 69 3.289 2.522 0.214 537 HD11 ILE 69 HD11 ILE 69 3.702 6.046 -2.090 538 HD12 ILE 69 HD12 ILE 69 2.283 7.025 -1.720 539 HD13 ILE 69 HD13 ILE 69 2.134 5.274 -1.874 540 H ARG 70 HN ARG 70 6.581 4.172 2.193 541 HA ARG 70 HA ARG 70 6.550 1.369 1.960 542 HB2 ARG 70 HB2 ARG 70 8.835 1.346 2.497 543 HB3 ARG 70 HB1 ARG 70 8.592 2.924 1.780 544 HG2 ARG 70 HG2 ARG 70 8.569 3.926 4.016 545 HG3 ARG 70 HG1 ARG 70 8.838 2.329 4.727 546 HD2 ARG 70 HD2 ARG 70 10.900 2.181 3.263 547 HD3 ARG 70 HD1 ARG 70 10.663 3.890 2.922 548 HE ARG 70 HE ARG 70 10.743 3.250 5.717 549 HH11 ARG 70 HH11 ARG 70 12.563 4.465 2.961 550 HH12 ARG 70 HH12 ARG 70 14.008 4.704 3.831 551 HH21 ARG 70 HH21 ARG 70 12.763 3.598 6.922 552 HH22 ARG 70 HH22 ARG 70 14.132 4.133 6.045 553 H ASN 71 HN ASN 71 6.156 3.489 4.722 554 HA ASN 71 HA ASN 71 6.248 1.471 6.725 555 HB2 ASN 71 HB2 ASN 71 6.518 3.833 7.313 556 HB3 ASN 71 HB1 ASN 71 4.921 4.206 6.684 557 HD21 ASN 71 HD21 ASN 71 4.150 5.020 8.630 558 HD22 ASN 71 HD22 ASN 71 3.830 4.020 9.990 559 H ALA 72 HN ALA 72 3.722 3.073 4.920 560 HA ALA 72 HA ALA 72 1.483 2.043 6.145 561 HB1 ALA 72 HB1 ALA 72 1.761 2.802 3.247 562 HB2 ALA 72 HB2 ALA 72 1.436 3.908 4.582 563 HB3 ALA 72 HB3 ALA 72 0.250 2.674 4.149 564 H THR 73 HN THR 73 3.018 0.831 3.148 565 HA THR 73 HA THR 73 1.186 -1.414 2.961 566 HB THR 73 HB THR 73 2.162 -0.181 1.012 567 HG1 THR 73 HG1 THR 73 2.464 -2.990 1.278 568 HG21 THR 73 HG21 THR 73 4.665 -1.711 1.743 569 HG22 THR 73 HG22 THR 73 4.466 0.041 1.768 570 HG23 THR 73 HG23 THR 73 4.428 -0.829 0.235 571 H VAL 74 HN VAL 74 3.847 -0.970 4.794 572 HA VAL 74 HA VAL 74 4.335 -3.850 4.838 573 HB VAL 74 HB VAL 74 5.699 -1.612 6.400 574 HG11 VAL 74 HG11 VAL 74 7.177 -3.318 7.285 575 HG12 VAL 74 HG12 VAL 74 6.236 -4.583 6.488 576 HG13 VAL 74 HG13 VAL 74 5.516 -3.629 7.789 577 HG21 VAL 74 HG21 VAL 74 6.404 -1.818 4.050 578 HG22 VAL 74 HG22 VAL 74 6.779 -3.522 4.318 579 HG23 VAL 74 HG23 VAL 74 7.697 -2.280 5.151 580 H ASN 75 HN ASN 75 3.294 -1.221 6.904 581 HA ASN 75 HA ASN 75 2.714 -2.692 9.206 582 HB2 ASN 75 HB2 ASN 75 3.000 -0.196 8.971 583 HB3 ASN 75 HB1 ASN 75 1.361 -0.149 8.353 584 HD21 ASN 75 HD21 ASN 75 2.552 -2.238 10.945 585 HD22 ASN 75 HD22 ASN 75 1.578 -1.519 12.174 586 H ILE 76 HN ILE 76 0.550 -1.806 6.506 587 HA ILE 76 HA ILE 76 -1.850 -2.719 7.755 588 HB ILE 76 HB ILE 76 -1.361 -2.970 4.780 589 HG12 ILE 76 HG12 ILE 76 -0.707 -0.754 5.428 590 HG13 ILE 76 HG11 ILE 76 -2.226 -0.662 4.524 591 HG21 ILE 76 HG21 ILE 76 -3.781 -2.558 4.616 592 HG22 ILE 76 HG22 ILE 76 -3.874 -2.471 6.375 593 HG23 ILE 76 HG23 ILE 76 -3.415 -3.983 5.591 594 HD11 ILE 76 HD11 ILE 76 -1.789 -0.463 7.471 595 HD12 ILE 76 HD12 ILE 76 -3.375 -0.367 6.661 596 HD13 ILE 76 HD13 ILE 76 -2.118 0.855 6.345 597 H LEU 77 HN LEU 77 0.574 -4.306 5.897 598 HA LEU 77 HA LEU 77 -0.757 -6.791 5.687 599 HB2 LEU 77 HB2 LEU 77 2.109 -5.945 5.243 600 HB3 LEU 77 HB1 LEU 77 1.597 -7.610 5.075 601 HG LEU 77 HG LEU 77 0.087 -6.937 3.183 602 HD11 LEU 77 HD11 LEU 77 -0.496 -4.741 3.808 603 HD12 LEU 77 HD12 LEU 77 0.176 -4.803 2.177 604 HD13 LEU 77 HD13 LEU 77 1.154 -4.195 3.513 605 HD21 LEU 77 HD21 LEU 77 1.806 -6.485 1.559 606 HD22 LEU 77 HD22 LEU 77 2.404 -7.656 2.742 607 HD23 LEU 77 HD23 LEU 77 2.907 -5.971 2.833 608 H GLU 78 HN GLU 78 1.558 -5.396 7.927 609 HA GLU 78 HA GLU 78 1.986 -7.630 9.600 610 HB2 GLU 78 HB2 GLU 78 1.876 -4.695 10.301 611 HB3 GLU 78 HB1 GLU 78 2.558 -5.912 11.345 612 HG2 GLU 78 HG2 GLU 78 4.264 -6.362 9.618 613 HG3 GLU 78 HG1 GLU 78 3.574 -5.057 8.652 614 H GLU 79 HN GLU 79 -0.490 -5.165 9.471 615 HA GLU 79 HA GLU 79 -1.905 -5.901 11.801 616 HB2 GLU 79 HB2 GLU 79 -2.700 -4.363 9.382 617 HB3 GLU 79 HB1 GLU 79 -3.740 -4.468 10.787 618 HG2 GLU 79 HG2 GLU 79 -1.015 -3.190 10.588 619 HG3 GLU 79 HG1 GLU 79 -2.560 -2.378 10.841 620 H MET 80 HN MET 80 -1.785 -7.283 8.696 621 HA MET 80 HA MET 80 -4.296 -8.762 9.111 622 HB2 MET 80 HB2 MET 80 -2.451 -8.609 6.720 623 HB3 MET 80 HB1 MET 80 -3.907 -9.591 6.793 624 HG2 MET 80 HG2 MET 80 -5.238 -7.549 7.067 625 HG3 MET 80 HG1 MET 80 -3.767 -6.590 6.974 626 HE1 MET 80 HE1 MET 80 -6.182 -9.012 5.095 627 HE2 MET 80 HE2 MET 80 -4.634 -9.827 4.847 628 HE3 MET 80 HE3 MET 80 -5.469 -9.077 3.488 629 H ASN 81 HN ASN 81 -1.278 -8.960 10.053 630 HA ASN 81 HA ASN 81 0.164 -10.502 10.834 631 HB2 ASN 81 HB2 ASN 81 -1.975 -11.460 11.869 632 HB3 ASN 81 HB1 ASN 81 -2.024 -12.592 10.523 633 HD21 ASN 81 HD21 ASN 81 -1.773 -14.390 11.880 634 HD22 ASN 81 HD22 ASN 81 -0.295 -14.751 12.682 635 H LEU 82 HN LEU 82 -0.287 -10.056 7.932 636 HA LEU 82 HA LEU 82 0.398 -12.475 6.582 637 HB2 LEU 82 HB2 LEU 82 0.601 -9.569 5.783 638 HB3 LEU 82 HB1 LEU 82 1.018 -10.887 4.705 639 HG LEU 82 HG LEU 82 -1.735 -10.414 5.870 640 HD11 LEU 82 HD11 LEU 82 -0.646 -9.796 3.113 641 HD12 LEU 82 HD12 LEU 82 -1.166 -8.624 4.323 642 HD13 LEU 82 HD13 LEU 82 -2.339 -9.710 3.582 643 HD21 LEU 82 HD21 LEU 82 -2.455 -12.052 4.209 644 HD22 LEU 82 HD22 LEU 82 -1.285 -12.759 5.326 645 HD23 LEU 82 HD23 LEU 82 -0.783 -12.295 3.708 646 H THR 83 HN THR 83 2.388 -13.275 6.171 647 HA THR 83 HA THR 83 4.597 -11.770 7.349 648 HB THR 83 HB THR 83 5.646 -14.147 7.450 649 HG1 THR 83 HG1 THR 83 2.928 -14.903 7.689 650 HG21 THR 83 HG21 THR 83 5.120 -12.803 9.391 651 HG22 THR 83 HG22 THR 83 4.735 -14.498 9.682 652 HG23 THR 83 HG23 THR 83 3.436 -13.335 9.342 653 H GLU 84 HN GLU 84 3.950 -14.319 5.083 654 HA GLU 84 HA GLU 84 6.233 -14.487 3.678 655 HB2 GLU 84 HB2 GLU 84 4.729 -15.147 1.709 656 HB3 GLU 84 HB1 GLU 84 4.624 -16.085 3.191 657 HG2 GLU 84 HG2 GLU 84 2.732 -13.829 2.658 658 HG3 GLU 84 HG1 GLU 84 2.407 -15.427 1.954 659 H LEU 85 HN LEU 85 3.578 -12.429 2.518 660 HA LEU 85 HA LEU 85 5.381 -11.200 0.657 661 HB2 LEU 85 HB2 LEU 85 3.509 -9.847 -0.145 662 HB3 LEU 85 HB1 LEU 85 3.113 -11.544 -0.116 663 HG LEU 85 HG LEU 85 2.168 -9.574 1.982 664 HD11 LEU 85 HD11 LEU 85 0.036 -9.604 0.803 665 HD12 LEU 85 HD12 LEU 85 0.747 -10.607 -0.459 666 HD13 LEU 85 HD13 LEU 85 1.321 -8.957 -0.217 667 HD21 LEU 85 HD21 LEU 85 1.353 -12.397 1.289 668 HD22 LEU 85 HD22 LEU 85 0.415 -11.326 2.308 669 HD23 LEU 85 HD23 LEU 85 2.024 -11.818 2.824 670 H CYS 86 HN CYS 86 4.260 -10.467 3.795 671 HA CYS 86 HA CYS 86 4.780 -7.665 3.732 672 HB2 CYS 86 HB2 CYS 86 3.325 -8.844 5.381 673 HB3 CYS 86 HB1 CYS 86 4.768 -9.618 5.956 674 HG CYS 86 HG CYS 86 3.889 -6.322 6.427 675 H LYS 87 HN LYS 87 6.628 -10.533 4.525 676 HA LYS 87 HA LYS 87 8.982 -9.233 5.409 677 HB2 LYS 87 HB2 LYS 87 8.438 -12.020 4.400 678 HB3 LYS 87 HB1 LYS 87 9.998 -11.500 5.028 679 HG2 LYS 87 HG2 LYS 87 9.136 -11.151 7.190 680 HG3 LYS 87 HG1 LYS 87 7.473 -11.238 6.624 681 HD2 LYS 87 HD2 LYS 87 8.184 -13.258 7.838 682 HD3 LYS 87 HD1 LYS 87 7.703 -13.596 6.178 683 HE2 LYS 87 HE2 LYS 87 9.919 -13.738 5.477 684 HE3 LYS 87 HE1 LYS 87 10.552 -13.191 7.042 685 HZ1 LYS 87 HZ1 LYS 87 9.597 -15.245 8.012 686 HZ2 LYS 87 HZ2 LYS 87 10.758 -15.590 6.850 687 HZ3 LYS 87 HZ3 LYS 87 9.126 -15.750 6.478 688 H MET 88 HN MET 88 7.620 -9.879 2.347 689 HA MET 88 HA MET 88 10.012 -9.587 0.819 690 HB2 MET 88 HB2 MET 88 7.944 -10.763 0.058 691 HB3 MET 88 HB1 MET 88 7.120 -9.233 0.071 692 HG2 MET 88 HG2 MET 88 7.786 -9.840 -2.182 693 HG3 MET 88 HG1 MET 88 8.533 -8.340 -1.630 694 HE1 MET 88 HE1 MET 88 9.611 -12.005 -0.617 695 HE2 MET 88 HE2 MET 88 10.805 -12.358 -1.866 696 HE3 MET 88 HE3 MET 88 9.104 -12.178 -2.299 697 H ALA 89 HN ALA 89 7.417 -7.632 2.044 698 HA ALA 89 HA ALA 89 8.129 -5.226 0.712 699 HB1 ALA 89 HB1 ALA 89 6.590 -5.588 3.281 700 HB2 ALA 89 HB2 ALA 89 5.921 -5.628 1.647 701 HB3 ALA 89 HB3 ALA 89 6.624 -4.131 2.269 702 H LYS 90 HN LYS 90 8.878 -6.700 3.781 703 HA LYS 90 HA LYS 90 10.622 -4.679 4.764 704 HB2 LYS 90 HB2 LYS 90 10.265 -7.582 5.474 705 HB3 LYS 90 HB1 LYS 90 11.512 -6.599 6.214 706 HG2 LYS 90 HG2 LYS 90 8.531 -6.189 6.400 707 HG3 LYS 90 HG1 LYS 90 9.620 -6.723 7.685 708 HD2 LYS 90 HD2 LYS 90 10.874 -4.509 7.182 709 HD3 LYS 90 HD1 LYS 90 9.354 -4.078 6.384 710 HE2 LYS 90 HE2 LYS 90 8.138 -4.481 8.522 711 HE3 LYS 90 HE1 LYS 90 9.667 -4.872 9.283 712 HZ1 LYS 90 HZ1 LYS 90 10.447 -2.613 8.860 713 HZ2 LYS 90 HZ2 LYS 90 9.033 -2.566 9.754 714 HZ3 LYS 90 HZ3 LYS 90 9.004 -2.206 8.126 715 H ALA 91 HN ALA 91 11.009 -6.595 2.125 716 HA ALA 91 HA ALA 91 13.935 -6.616 2.399 717 HB1 ALA 91 HB1 ALA 91 12.838 -8.837 2.065 718 HB2 ALA 91 HB2 ALA 91 13.939 -8.390 0.759 719 HB3 ALA 91 HB3 ALA 91 12.199 -8.213 0.534 720 H GLU 92 HN GLU 92 11.301 -5.203 0.872 721 HA GLU 92 HA GLU 92 12.893 -4.441 -1.473 722 HB2 GLU 92 HB2 GLU 92 10.010 -5.059 -1.176 723 HB3 GLU 92 HB1 GLU 92 10.671 -4.308 -2.627 724 HG2 GLU 92 HG2 GLU 92 11.564 -6.912 -1.475 725 HG3 GLU 92 HG1 GLU 92 10.341 -6.846 -2.708 726 H MET 93 HN MET 93 9.981 -3.299 0.345 727 HA MET 93 HA MET 93 10.393 -0.661 -0.735 728 HB2 MET 93 HB2 MET 93 8.161 -1.850 0.905 729 HB3 MET 93 HB1 MET 93 8.362 -0.093 0.894 730 HG2 MET 93 HG2 MET 93 7.973 -1.927 -1.432 731 HG3 MET 93 HG1 MET 93 6.724 -0.950 -0.688 732 HE1 MET 93 HE1 MET 93 7.984 2.691 -1.572 733 HE2 MET 93 HE2 MET 93 8.411 1.785 -0.126 734 HE3 MET 93 HE3 MET 93 6.755 1.744 -0.733 735 H MET 94 HN MET 94 11.607 -2.236 1.859 736 HA MET 94 HA MET 94 11.798 -0.027 3.647 737 HB2 MET 94 HB2 MET 94 13.322 -1.438 4.957 738 HB3 MET 94 HB1 MET 94 11.882 -2.311 4.487 739 HG2 MET 94 HG2 MET 94 13.543 -3.861 4.214 740 HG3 MET 94 HG1 MET 94 13.296 -3.245 2.590 741 HE1 MET 94 HE1 MET 94 16.896 -2.154 5.293 742 HE2 MET 94 HE2 MET 94 15.598 -3.250 5.758 743 HE3 MET 94 HE3 MET 94 15.277 -1.524 5.589 744 H GLU 95 HN GLU 95 13.431 1.378 3.987 745 HA GLU 95 HA GLU 95 14.889 2.938 3.284 746 HB2 GLU 95 HB2 GLU 95 16.358 0.395 3.173 747 HB3 GLU 95 HB1 GLU 95 17.196 1.916 2.801 748 HG2 GLU 95 HG2 GLU 95 15.496 1.485 5.125 749 HG3 GLU 95 HG1 GLU 95 17.253 1.135 5.220 750 H ASP 96 HN ASP 96 13.178 2.296 1.292 751 HA ASP 96 HA ASP 96 14.287 2.236 -1.266 752 HB2 ASP 96 HB2 ASP 96 11.940 2.097 -0.661 753 HB3 ASP 96 HB1 ASP 96 11.977 3.778 -0.171 754 H GLY 97 HN GLY 97 13.392 4.972 0.756 755 HA2 GLY 97 HA2 GLY 97 15.710 6.464 -0.269 756 HA3 GLY 97 HA1 GLY 97 14.176 7.246 0.160 757 H GLN 98 HN GLN 98 15.779 8.378 1.683 758 HA GLN 98 HA GLN 98 16.192 6.735 4.076 759 HB2 GLN 98 HB2 GLN 98 16.946 9.633 3.546 760 HB3 GLN 98 HB1 GLN 98 17.310 8.761 5.026 761 HG2 GLN 98 HG2 GLN 98 18.743 7.242 3.869 762 HG3 GLN 98 HG1 GLN 98 18.267 7.899 2.308 763 HE21 GLN 98 HE21 GLN 98 20.886 7.623 3.526 764 HE22 GLN 98 HE22 GLN 98 21.581 9.207 3.534 Start of MODEL 5 1 H MET 3 HT1 MET 3 12.707 5.508 -3.564 2 HA MET 3 HA MET 3 14.540 6.744 -4.196 3 HB2 MET 3 HB2 MET 3 16.214 4.971 -4.104 4 HB3 MET 3 HB1 MET 3 15.538 4.226 -5.545 5 HG2 MET 3 HG2 MET 3 16.158 6.174 -6.866 6 HG3 MET 3 HG1 MET 3 16.800 6.959 -5.427 7 HE1 MET 3 HE1 MET 3 19.852 4.684 -4.540 8 HE2 MET 3 HE2 MET 3 18.214 4.516 -3.924 9 HE3 MET 3 HE3 MET 3 18.927 6.121 -4.103 10 H THR 4 HN THR 4 13.447 4.231 -6.536 11 HA THR 4 HA THR 4 12.825 6.397 -8.329 12 HB THR 4 HB THR 4 12.570 4.403 -9.919 13 HG1 THR 4 HG1 THR 4 14.269 2.804 -8.714 14 HG21 THR 4 HG21 THR 4 14.483 5.949 -9.963 15 HG22 THR 4 HG22 THR 4 14.996 4.294 -10.295 16 HG23 THR 4 HG23 THR 4 15.275 5.003 -8.702 17 H SER 5 HN SER 5 10.812 6.762 -8.997 18 HA SER 5 HA SER 5 8.636 5.898 -7.497 19 HB2 SER 5 HB2 SER 5 8.800 8.079 -8.759 20 HB3 SER 5 HB1 SER 5 8.556 7.174 -10.248 21 HG SER 5 HG SER 5 6.515 6.535 -9.454 22 HA PRO 6 HA PRO 6 7.604 3.006 -11.435 23 HB2 PRO 6 HB2 PRO 6 9.986 1.865 -12.363 24 HB3 PRO 6 HB1 PRO 6 9.023 3.075 -13.215 25 HG2 PRO 6 HG2 PRO 6 11.449 3.432 -11.517 26 HG3 PRO 6 HG1 PRO 6 10.994 4.266 -13.012 27 HD2 PRO 6 HD2 PRO 6 10.715 5.462 -10.656 28 HD3 PRO 6 HD1 PRO 6 9.478 5.663 -11.917 29 H GLN 7 HN GLN 7 10.623 2.350 -9.612 30 HA GLN 7 HA GLN 7 9.932 -0.383 -9.198 31 HB2 GLN 7 HB2 GLN 7 12.103 1.364 -8.073 32 HB3 GLN 7 HB1 GLN 7 11.830 -0.241 -7.430 33 HG2 GLN 7 HG2 GLN 7 13.645 -0.218 -9.054 34 HG3 GLN 7 HG1 GLN 7 12.314 -1.224 -9.592 35 HE21 GLN 7 HE21 GLN 7 11.237 -0.675 -11.427 36 HE22 GLN 7 HE22 GLN 7 11.755 0.545 -12.526 37 H LEU 8 HN LEU 8 9.617 2.547 -7.256 38 HA LEU 8 HA LEU 8 8.668 1.501 -4.859 39 HB2 LEU 8 HB2 LEU 8 8.911 3.820 -4.892 40 HB3 LEU 8 HB1 LEU 8 8.053 3.980 -6.417 41 HG LEU 8 HG LEU 8 6.008 3.193 -5.146 42 HD11 LEU 8 HD11 LEU 8 7.607 3.921 -2.754 43 HD12 LEU 8 HD12 LEU 8 6.885 2.362 -3.182 44 HD13 LEU 8 HD13 LEU 8 5.851 3.737 -2.803 45 HD21 LEU 8 HD21 LEU 8 5.526 5.499 -4.307 46 HD22 LEU 8 HD22 LEU 8 6.010 5.296 -5.980 47 HD23 LEU 8 HD23 LEU 8 7.181 5.932 -4.810 48 H GLU 9 HN GLU 9 6.833 2.583 -7.668 49 HA GLU 9 HA GLU 9 4.379 1.881 -6.663 50 HB2 GLU 9 HB2 GLU 9 4.934 3.502 -8.502 51 HB3 GLU 9 HB1 GLU 9 5.090 2.135 -9.591 52 HG2 GLU 9 HG2 GLU 9 2.704 1.561 -9.091 53 HG3 GLU 9 HG1 GLU 9 2.637 3.051 -8.135 54 H TRP 10 HN TRP 10 6.703 0.220 -8.731 55 HA TRP 10 HA TRP 10 5.302 -2.088 -9.381 56 HB2 TRP 10 HB2 TRP 10 7.444 -1.654 -10.445 57 HB3 TRP 10 HB1 TRP 10 8.266 -1.682 -8.890 58 HD1 TRP 10 HD1 TRP 10 6.608 -4.034 -11.387 59 HE1 TRP 10 HE1 TRP 10 7.515 -6.419 -11.055 60 HE3 TRP 10 HE3 TRP 10 9.401 -3.235 -7.210 61 HZ2 TRP 10 HZ2 TRP 10 9.161 -7.777 -9.238 62 HZ3 TRP 10 HZ3 TRP 10 10.608 -5.133 -6.224 63 HH2 TRP 10 HH2 TRP 10 10.490 -7.360 -7.218 64 H THR 11 HN THR 11 7.416 -1.449 -6.598 65 HA THR 11 HA THR 11 7.154 -4.018 -5.521 66 HB THR 11 HB THR 11 7.739 -1.472 -3.985 67 HG1 THR 11 HG1 THR 11 9.222 -1.725 -5.682 68 HG21 THR 11 HG21 THR 11 8.359 -4.373 -3.452 69 HG22 THR 11 HG22 THR 11 7.202 -3.379 -2.570 70 HG23 THR 11 HG23 THR 11 8.930 -3.021 -2.480 71 H LEU 12 HN LEU 12 5.277 -1.128 -5.047 72 HA LEU 12 HA LEU 12 3.672 -2.061 -2.985 73 HB2 LEU 12 HB2 LEU 12 3.127 -0.179 -5.207 74 HB3 LEU 12 HB1 LEU 12 2.031 -0.350 -3.839 75 HG LEU 12 HG LEU 12 4.822 0.781 -3.898 76 HD11 LEU 12 HD11 LEU 12 2.135 1.961 -3.207 77 HD12 LEU 12 HD12 LEU 12 3.091 2.288 -4.650 78 HD13 LEU 12 HD13 LEU 12 3.682 2.799 -3.070 79 HD21 LEU 12 HD21 LEU 12 4.569 1.152 -1.474 80 HD22 LEU 12 HD22 LEU 12 4.606 -0.558 -1.876 81 HD23 LEU 12 HD23 LEU 12 3.070 0.222 -1.499 82 H GLN 13 HN GLN 13 3.125 -1.937 -6.547 83 HA GLN 13 HA GLN 13 0.607 -3.152 -6.540 84 HB2 GLN 13 HB2 GLN 13 0.845 -3.462 -8.970 85 HB3 GLN 13 HB1 GLN 13 1.528 -1.907 -8.499 86 HG2 GLN 13 HG2 GLN 13 3.712 -2.728 -8.643 87 HG3 GLN 13 HG1 GLN 13 3.145 -4.356 -8.969 88 HE21 GLN 13 HE21 GLN 13 1.111 -3.749 -10.803 89 HE22 GLN 13 HE22 GLN 13 1.840 -3.129 -12.239 90 H THR 14 HN THR 14 3.800 -4.558 -6.728 91 HA THR 14 HA THR 14 3.076 -7.142 -7.423 92 HB THR 14 HB THR 14 5.412 -6.371 -5.636 93 HG1 THR 14 HG1 THR 14 5.586 -5.141 -7.500 94 HG21 THR 14 HG21 THR 14 6.479 -8.279 -6.719 95 HG22 THR 14 HG22 THR 14 4.978 -8.581 -7.609 96 HG23 THR 14 HG23 THR 14 5.013 -8.793 -5.851 97 H LEU 15 HN LEU 15 3.183 -5.610 -4.243 98 HA LEU 15 HA LEU 15 2.571 -7.990 -2.775 99 HB2 LEU 15 HB2 LEU 15 2.201 -5.093 -2.070 100 HB3 LEU 15 HB1 LEU 15 2.076 -6.418 -0.942 101 HG LEU 15 HG LEU 15 4.628 -5.783 -2.424 102 HD11 LEU 15 HD11 LEU 15 3.969 -3.875 -1.037 103 HD12 LEU 15 HD12 LEU 15 5.372 -4.719 -0.377 104 HD13 LEU 15 HD13 LEU 15 3.783 -4.954 0.347 105 HD21 LEU 15 HD21 LEU 15 5.642 -7.148 -0.680 106 HD22 LEU 15 HD22 LEU 15 4.414 -8.078 -1.528 107 HD23 LEU 15 HD23 LEU 15 4.079 -7.416 0.067 108 H LEU 16 HN LEU 16 0.751 -5.176 -3.860 109 HA LEU 16 HA LEU 16 -1.695 -6.068 -2.785 110 HB2 LEU 16 HB2 LEU 16 -0.990 -3.792 -4.618 111 HB3 LEU 16 HB1 LEU 16 -2.657 -4.220 -4.298 112 HG LEU 16 HG LEU 16 -2.460 -3.673 -1.977 113 HD11 LEU 16 HD11 LEU 16 -0.212 -4.424 -1.541 114 HD12 LEU 16 HD12 LEU 16 -0.466 -2.754 -0.983 115 HD13 LEU 16 HD13 LEU 16 0.437 -3.067 -2.472 116 HD21 LEU 16 HD21 LEU 16 -1.177 -1.543 -3.639 117 HD22 LEU 16 HD22 LEU 16 -2.045 -1.315 -2.108 118 HD23 LEU 16 HD23 LEU 16 -2.894 -1.908 -3.534 119 H GLU 17 HN GLU 17 -0.124 -6.835 -5.724 120 HA GLU 17 HA GLU 17 -2.547 -7.782 -6.930 121 HB2 GLU 17 HB2 GLU 17 0.339 -7.993 -7.806 122 HB3 GLU 17 HB1 GLU 17 -0.972 -8.769 -8.686 123 HG2 GLU 17 HG2 GLU 17 -2.065 -6.531 -8.918 124 HG3 GLU 17 HG1 GLU 17 -0.632 -5.815 -8.195 125 H GLN 18 HN GLN 18 -0.447 -8.889 -4.638 126 HA GLN 18 HA GLN 18 -1.155 -11.685 -5.063 127 HB2 GLN 18 HB2 GLN 18 0.657 -10.318 -3.083 128 HB3 GLN 18 HB1 GLN 18 0.381 -12.064 -3.104 129 HG2 GLN 18 HG2 GLN 18 1.341 -12.181 -5.330 130 HG3 GLN 18 HG1 GLN 18 1.535 -10.430 -5.350 131 HE21 GLN 18 HE21 GLN 18 3.673 -10.518 -5.621 132 HE22 GLN 18 HE22 GLN 18 4.789 -11.025 -4.390 133 H LEU 19 HN LEU 19 -1.481 -9.078 -2.684 134 HA LEU 19 HA LEU 19 -3.582 -10.610 -1.329 135 HB2 LEU 19 HB2 LEU 19 -3.296 -9.217 0.511 136 HB3 LEU 19 HB1 LEU 19 -1.663 -9.420 -0.098 137 HG LEU 19 HG LEU 19 -2.567 -7.142 -1.345 138 HD11 LEU 19 HD11 LEU 19 -4.494 -6.988 -0.098 139 HD12 LEU 19 HD12 LEU 19 -3.416 -5.667 0.364 140 HD13 LEU 19 HD13 LEU 19 -3.625 -7.067 1.440 141 HD21 LEU 19 HD21 LEU 19 -0.366 -7.361 -0.525 142 HD22 LEU 19 HD22 LEU 19 -0.919 -7.327 1.162 143 HD23 LEU 19 HD23 LEU 19 -1.093 -5.893 0.111 144 H ASN 20 HN ASN 20 -5.569 -10.253 -2.246 145 HA ASN 20 HA ASN 20 -6.480 -7.620 -2.347 146 HB2 ASN 20 HB2 ASN 20 -7.120 -7.474 -4.825 147 HB3 ASN 20 HB1 ASN 20 -5.452 -7.259 -4.380 148 HD21 ASN 20 HD21 ASN 20 -4.037 -8.813 -4.698 149 HD22 ASN 20 HD22 ASN 20 -4.195 -10.029 -5.945 150 H GLU 21 HN GLU 21 -7.399 -10.811 -3.675 151 HA GLU 21 HA GLU 21 -9.936 -10.702 -4.322 152 HB2 GLU 21 HB2 GLU 21 -8.753 -12.651 -2.417 153 HB3 GLU 21 HB1 GLU 21 -10.349 -12.886 -3.147 154 HG2 GLU 21 HG2 GLU 21 -7.905 -12.317 -4.603 155 HG3 GLU 21 HG1 GLU 21 -8.400 -14.000 -4.225 156 H ASP 22 HN ASP 22 -9.580 -11.604 -0.903 157 HA ASP 22 HA ASP 22 -11.565 -9.623 -0.547 158 HB2 ASP 22 HB2 ASP 22 -11.312 -12.250 0.853 159 HB3 ASP 22 HB1 ASP 22 -12.187 -10.951 1.655 160 H GLU 23 HN GLU 23 -8.669 -10.038 -0.337 161 HA GLU 23 HA GLU 23 -7.694 -9.717 2.360 162 HB2 GLU 23 HB2 GLU 23 -6.107 -9.076 -0.079 163 HB3 GLU 23 HB1 GLU 23 -5.574 -9.828 1.409 164 HG2 GLU 23 HG2 GLU 23 -7.267 -11.076 -0.734 165 HG3 GLU 23 HG1 GLU 23 -5.557 -11.369 -0.503 166 H LEU 24 HN LEU 24 -8.220 -7.719 -0.480 167 HA LEU 24 HA LEU 24 -6.726 -5.468 0.390 168 HB2 LEU 24 HB2 LEU 24 -7.736 -6.278 -1.988 169 HB3 LEU 24 HB1 LEU 24 -8.956 -5.142 -1.510 170 HG LEU 24 HG LEU 24 -7.239 -3.390 -1.285 171 HD11 LEU 24 HD11 LEU 24 -5.440 -5.501 -2.469 172 HD12 LEU 24 HD12 LEU 24 -5.277 -4.767 -0.870 173 HD13 LEU 24 HD13 LEU 24 -5.033 -3.795 -2.318 174 HD21 LEU 24 HD21 LEU 24 -7.413 -4.769 -3.949 175 HD22 LEU 24 HD22 LEU 24 -6.882 -3.110 -3.692 176 HD23 LEU 24 HD23 LEU 24 -8.544 -3.573 -3.310 177 H LYS 25 HN LYS 25 -9.914 -6.593 0.721 178 HA LYS 25 HA LYS 25 -11.274 -4.246 1.415 179 HB2 LYS 25 HB2 LYS 25 -11.816 -7.136 2.129 180 HB3 LYS 25 HB1 LYS 25 -12.995 -5.822 2.234 181 HG2 LYS 25 HG2 LYS 25 -13.046 -5.516 -0.099 182 HG3 LYS 25 HG1 LYS 25 -11.566 -6.430 -0.323 183 HD2 LYS 25 HD2 LYS 25 -13.401 -7.744 -1.124 184 HD3 LYS 25 HD1 LYS 25 -12.771 -8.457 0.353 185 HE2 LYS 25 HE2 LYS 25 -14.530 -7.656 1.629 186 HE3 LYS 25 HE1 LYS 25 -15.126 -6.615 0.322 187 HZ1 LYS 25 HZ1 LYS 25 -16.417 -8.726 0.613 188 HZ2 LYS 25 HZ2 LYS 25 -15.041 -9.595 0.171 189 HZ3 LYS 25 HZ3 LYS 25 -15.760 -8.531 -0.916 190 H SER 26 HN SER 26 -9.388 -6.583 3.378 191 HA SER 26 HA SER 26 -9.919 -5.453 5.851 192 HB2 SER 26 HB2 SER 26 -7.681 -7.029 4.668 193 HB3 SER 26 HB1 SER 26 -7.929 -6.767 6.369 194 HG SER 26 HG SER 26 -9.260 -8.334 6.343 195 H PHE 27 HN PHE 27 -7.267 -5.311 3.559 196 HA PHE 27 HA PHE 27 -5.441 -3.668 4.768 197 HB2 PHE 27 HB2 PHE 27 -5.097 -5.011 2.764 198 HB3 PHE 27 HB1 PHE 27 -6.168 -3.966 1.864 199 HD1 PHE 27 HD2 PHE 27 -5.339 -1.678 1.217 200 HD2 PHE 27 HD1 PHE 27 -2.828 -4.508 3.154 201 HE1 PHE 27 HE2 PHE 27 -3.359 -0.391 0.525 202 HE2 PHE 27 HE1 PHE 27 -0.845 -3.233 2.459 203 HZ PHE 27 HZ PHE 27 -1.108 -1.169 1.144 204 H LYS 28 HN LYS 28 -8.129 -2.691 2.640 205 HA LYS 28 HA LYS 28 -7.659 0.084 2.559 206 HB2 LYS 28 HB2 LYS 28 -10.328 -1.340 2.459 207 HB3 LYS 28 HB1 LYS 28 -10.040 0.315 1.952 208 HG2 LYS 28 HG2 LYS 28 -8.601 -0.465 0.154 209 HG3 LYS 28 HG1 LYS 28 -8.806 -2.129 0.692 210 HD2 LYS 28 HD2 LYS 28 -11.279 -1.841 0.311 211 HD3 LYS 28 HD1 LYS 28 -10.915 -0.292 -0.448 212 HE2 LYS 28 HE2 LYS 28 -9.420 -1.484 -2.035 213 HE3 LYS 28 HE1 LYS 28 -9.939 -3.009 -1.318 214 HZ1 LYS 28 HZ1 LYS 28 -12.265 -2.380 -2.006 215 HZ2 LYS 28 HZ2 LYS 28 -11.186 -2.629 -3.268 216 HZ3 LYS 28 HZ3 LYS 28 -11.577 -1.070 -2.839 217 H SER 29 HN SER 29 -9.715 -1.831 4.807 218 HA SER 29 HA SER 29 -10.753 0.222 6.267 219 HB2 SER 29 HB2 SER 29 -10.084 -2.593 6.636 220 HB3 SER 29 HB1 SER 29 -10.934 -1.742 7.898 221 HG SER 29 HG SER 29 -12.483 -1.245 6.093 222 H LEU 30 HN LEU 30 -8.046 -1.899 6.848 223 HA LEU 30 HA LEU 30 -7.203 -0.911 9.304 224 HB2 LEU 30 HB2 LEU 30 -5.612 -2.206 7.118 225 HB3 LEU 30 HB1 LEU 30 -5.019 -1.956 8.751 226 HG LEU 30 HG LEU 30 -7.482 -3.575 8.111 227 HD11 LEU 30 HD11 LEU 30 -6.041 -5.538 8.498 228 HD12 LEU 30 HD12 LEU 30 -4.633 -4.470 8.545 229 HD13 LEU 30 HD13 LEU 30 -5.585 -4.627 7.067 230 HD21 LEU 30 HD21 LEU 30 -5.752 -3.392 10.574 231 HD22 LEU 30 HD22 LEU 30 -7.137 -4.463 10.363 232 HD23 LEU 30 HD23 LEU 30 -7.372 -2.716 10.397 233 H LEU 31 HN LEU 31 -6.340 0.233 6.055 234 HA LEU 31 HA LEU 31 -4.485 2.114 7.203 235 HB2 LEU 31 HB2 LEU 31 -3.861 2.686 5.001 236 HB3 LEU 31 HB1 LEU 31 -4.279 0.994 4.918 237 HG LEU 31 HG LEU 31 -6.606 1.966 4.099 238 HD11 LEU 31 HD11 LEU 31 -6.275 3.924 2.682 239 HD12 LEU 31 HD12 LEU 31 -4.613 4.051 3.275 240 HD13 LEU 31 HD13 LEU 31 -5.960 4.285 4.386 241 HD21 LEU 31 HD21 LEU 31 -4.144 1.734 2.370 242 HD22 LEU 31 HD22 LEU 31 -5.816 1.694 1.807 243 HD23 LEU 31 HD23 LEU 31 -5.210 0.411 2.854 244 H TRP 32 HN TRP 32 -7.766 1.981 6.924 245 HA TRP 32 HA TRP 32 -8.038 4.869 6.897 246 HB2 TRP 32 HB2 TRP 32 -9.635 2.864 5.902 247 HB3 TRP 32 HB1 TRP 32 -10.465 3.310 7.390 248 HD1 TRP 32 HD1 TRP 32 -12.006 5.401 7.220 249 HE1 TRP 32 HE1 TRP 32 -12.302 7.284 5.469 250 HE3 TRP 32 HE3 TRP 32 -8.159 4.225 4.246 251 HZ2 TRP 32 HZ2 TRP 32 -11.023 8.145 3.105 252 HZ3 TRP 32 HZ3 TRP 32 -7.694 5.620 2.199 253 HH2 TRP 32 HH2 TRP 32 -9.110 7.537 1.662 254 H ALA 33 HN ALA 33 -7.364 2.452 8.978 255 HA ALA 33 HA ALA 33 -9.057 3.262 11.188 256 HB1 ALA 33 HB1 ALA 33 -8.702 0.873 10.751 257 HB2 ALA 33 HB2 ALA 33 -8.164 1.348 12.360 258 HB3 ALA 33 HB3 ALA 33 -6.981 1.082 11.078 259 H PHE 34 HN PHE 34 -5.840 3.769 10.046 260 HA PHE 34 HA PHE 34 -5.014 4.771 12.626 261 HB2 PHE 34 HB2 PHE 34 -2.796 4.866 11.723 262 HB3 PHE 34 HB1 PHE 34 -3.486 3.491 10.909 263 HD1 PHE 34 HD2 PHE 34 -2.497 7.004 10.528 264 HD2 PHE 34 HD1 PHE 34 -3.758 3.475 8.550 265 HE1 PHE 34 HE2 PHE 34 -1.924 8.026 8.380 266 HE2 PHE 34 HE1 PHE 34 -3.167 4.493 6.383 267 HZ PHE 34 HZ PHE 34 -2.271 6.784 6.311 268 HA PRO 35 HA PRO 35 -6.367 8.890 11.660 269 HB2 PRO 35 HB2 PRO 35 -4.380 10.434 12.723 270 HB3 PRO 35 HB1 PRO 35 -5.635 9.662 13.700 271 HG2 PRO 35 HG2 PRO 35 -2.819 8.809 13.207 272 HG3 PRO 35 HG1 PRO 35 -3.781 8.725 14.697 273 HD2 PRO 35 HD2 PRO 35 -3.334 6.572 13.112 274 HD3 PRO 35 HD1 PRO 35 -4.817 6.779 14.068 275 H LEU 36 HN LEU 36 -6.348 9.399 9.614 276 HA LEU 36 HA LEU 36 -4.096 9.281 7.915 277 HB2 LEU 36 HB2 LEU 36 -6.611 10.799 7.493 278 HB3 LEU 36 HB1 LEU 36 -5.498 10.315 6.248 279 HG LEU 36 HG LEU 36 -7.272 8.450 7.842 280 HD11 LEU 36 HD11 LEU 36 -7.246 9.185 4.933 281 HD12 LEU 36 HD12 LEU 36 -8.445 9.711 6.120 282 HD13 LEU 36 HD13 LEU 36 -8.312 8.002 5.688 283 HD21 LEU 36 HD21 LEU 36 -5.130 7.396 7.390 284 HD22 LEU 36 HD22 LEU 36 -5.258 7.828 5.683 285 HD23 LEU 36 HD23 LEU 36 -6.396 6.681 6.396 286 H GLU 37 HN GLU 37 -2.821 10.814 7.171 287 HA GLU 37 HA GLU 37 -2.731 13.272 8.654 288 HB2 GLU 37 HB2 GLU 37 -0.881 12.151 6.544 289 HB3 GLU 37 HB1 GLU 37 -0.549 13.548 7.575 290 HG2 GLU 37 HG2 GLU 37 -0.725 12.158 9.548 291 HG3 GLU 37 HG1 GLU 37 -1.098 10.771 8.534 292 H ASP 38 HN ASP 38 -1.932 15.200 7.041 293 HA ASP 38 HA ASP 38 -4.336 16.150 6.086 294 HB2 ASP 38 HB2 ASP 38 -2.434 17.581 6.729 295 HB3 ASP 38 HB1 ASP 38 -1.609 17.122 5.244 296 H VAL 39 HN VAL 39 -1.666 14.990 4.042 297 HA VAL 39 HA VAL 39 -3.275 15.291 1.691 298 HB VAL 39 HB VAL 39 -0.783 15.503 1.659 299 HG11 VAL 39 HG11 VAL 39 -0.192 13.673 3.130 300 HG12 VAL 39 HG12 VAL 39 0.631 13.537 1.577 301 HG13 VAL 39 HG13 VAL 39 -0.767 12.523 1.924 302 HG21 VAL 39 HG21 VAL 39 -0.421 14.336 -0.477 303 HG22 VAL 39 HG22 VAL 39 -1.962 15.191 -0.432 304 HG23 VAL 39 HG23 VAL 39 -1.919 13.441 -0.226 305 H LEU 40 HN LEU 40 -2.700 12.757 3.938 306 HA LEU 40 HA LEU 40 -3.552 10.557 2.336 307 HB2 LEU 40 HB2 LEU 40 -3.069 10.958 5.240 308 HB3 LEU 40 HB1 LEU 40 -4.093 9.623 4.770 309 HG LEU 40 HG LEU 40 -1.811 8.907 5.154 310 HD11 LEU 40 HD11 LEU 40 -1.484 7.678 3.083 311 HD12 LEU 40 HD12 LEU 40 -2.630 8.733 2.261 312 HD13 LEU 40 HD13 LEU 40 -3.175 7.693 3.577 313 HD21 LEU 40 HD21 LEU 40 0.002 9.568 3.658 314 HD22 LEU 40 HD22 LEU 40 -0.638 10.973 4.516 315 HD23 LEU 40 HD23 LEU 40 -1.079 10.687 2.832 316 H GLN 41 HN GLN 41 -5.190 12.930 4.173 317 HA GLN 41 HA GLN 41 -7.653 11.535 4.331 318 HB2 GLN 41 HB2 GLN 41 -6.937 13.284 5.925 319 HB3 GLN 41 HB1 GLN 41 -7.049 14.478 4.649 320 HG2 GLN 41 HG2 GLN 41 -9.422 14.234 4.544 321 HG3 GLN 41 HG1 GLN 41 -9.380 12.856 5.643 322 HE21 GLN 41 HE21 GLN 41 -10.750 15.433 5.872 323 HE22 GLN 41 HE22 GLN 41 -10.204 16.107 7.366 324 H LYS 42 HN LYS 42 -6.060 13.084 1.765 325 HA LYS 42 HA LYS 42 -8.439 13.897 0.352 326 HB2 LYS 42 HB2 LYS 42 -6.224 14.981 -0.101 327 HB3 LYS 42 HB1 LYS 42 -5.653 13.453 -0.763 328 HG2 LYS 42 HG2 LYS 42 -7.552 13.548 -2.367 329 HG3 LYS 42 HG1 LYS 42 -7.852 15.211 -1.855 330 HD2 LYS 42 HD2 LYS 42 -6.537 15.395 -3.818 331 HD3 LYS 42 HD1 LYS 42 -5.378 15.606 -2.505 332 HE2 LYS 42 HE2 LYS 42 -4.691 13.301 -2.687 333 HE3 LYS 42 HE1 LYS 42 -5.918 12.992 -3.912 334 HZ1 LYS 42 HZ1 LYS 42 -3.566 14.787 -4.190 335 HZ2 LYS 42 HZ2 LYS 42 -4.740 14.552 -5.375 336 HZ3 LYS 42 HZ3 LYS 42 -3.763 13.277 -4.900 337 H THR 43 HN THR 43 -6.604 11.001 0.799 338 HA THR 43 HA THR 43 -6.717 9.671 -1.544 339 HB THR 43 HB THR 43 -7.163 8.352 1.141 340 HG1 THR 43 HG1 THR 43 -5.341 9.211 1.574 341 HG21 THR 43 HG21 THR 43 -7.392 6.902 -0.820 342 HG22 THR 43 HG22 THR 43 -5.905 6.512 0.069 343 HG23 THR 43 HG23 THR 43 -5.842 7.485 -1.413 344 HA PRO 44 HA PRO 44 -11.095 9.509 -2.212 345 HB2 PRO 44 HB2 PRO 44 -10.964 8.415 -4.704 346 HB3 PRO 44 HB1 PRO 44 -10.660 10.124 -4.381 347 HG2 PRO 44 HG2 PRO 44 -8.698 7.907 -4.798 348 HG3 PRO 44 HG1 PRO 44 -8.632 9.569 -5.396 349 HD2 PRO 44 HD2 PRO 44 -7.225 8.714 -3.268 350 HD3 PRO 44 HD1 PRO 44 -7.809 10.377 -3.422 351 H TRP 45 HN TRP 45 -11.783 7.971 -0.760 352 HA TRP 45 HA TRP 45 -11.178 5.236 -0.937 353 HB2 TRP 45 HB2 TRP 45 -12.063 6.169 1.160 354 HB3 TRP 45 HB1 TRP 45 -13.573 6.583 0.359 355 HD1 TRP 45 HD1 TRP 45 -15.109 4.406 -0.455 356 HE1 TRP 45 HE1 TRP 45 -15.425 2.147 0.594 357 HE3 TRP 45 HE3 TRP 45 -11.006 4.376 2.592 358 HZ2 TRP 45 HZ2 TRP 45 -14.148 0.508 2.524 359 HZ3 TRP 45 HZ3 TRP 45 -10.639 2.403 4.015 360 HH2 TRP 45 HH2 TRP 45 -12.176 0.514 3.983 361 H SER 46 HN SER 46 -13.700 7.199 -2.364 362 HA SER 46 HA SER 46 -15.344 5.248 -3.429 363 HB2 SER 46 HB2 SER 46 -14.547 7.875 -4.688 364 HB3 SER 46 HB1 SER 46 -16.053 6.990 -4.951 365 HG SER 46 HG SER 46 -16.819 7.844 -3.250 366 H GLU 47 HN GLU 47 -12.197 6.377 -4.494 367 HA GLU 47 HA GLU 47 -12.259 4.855 -6.932 368 HB2 GLU 47 HB2 GLU 47 -10.097 6.431 -5.560 369 HB3 GLU 47 HB1 GLU 47 -9.816 5.505 -7.025 370 HG2 GLU 47 HG2 GLU 47 -11.825 7.721 -6.746 371 HG3 GLU 47 HG1 GLU 47 -10.221 7.888 -7.462 372 H VAL 48 HN VAL 48 -10.750 4.653 -3.730 373 HA VAL 48 HA VAL 48 -9.213 2.389 -4.274 374 HB VAL 48 HB VAL 48 -8.754 2.109 -2.007 375 HG11 VAL 48 HG11 VAL 48 -8.397 4.281 -0.997 376 HG12 VAL 48 HG12 VAL 48 -9.319 4.989 -2.331 377 HG13 VAL 48 HG13 VAL 48 -7.830 4.093 -2.654 378 HG21 VAL 48 HG21 VAL 48 -11.396 3.350 -1.290 379 HG22 VAL 48 HG22 VAL 48 -10.119 3.020 -0.114 380 HG23 VAL 48 HG23 VAL 48 -10.856 1.699 -1.015 381 H GLU 49 HN GLU 49 -12.586 2.737 -3.443 382 HA GLU 49 HA GLU 49 -13.236 0.208 -2.659 383 HB2 GLU 49 HB2 GLU 49 -14.602 2.549 -3.650 384 HB3 GLU 49 HB1 GLU 49 -15.446 1.042 -4.042 385 HG2 GLU 49 HG2 GLU 49 -15.122 0.544 -1.634 386 HG3 GLU 49 HG1 GLU 49 -14.636 2.228 -1.428 387 H GLU 50 HN GLU 50 -13.204 1.551 -5.926 388 HA GLU 50 HA GLU 50 -13.860 -1.094 -6.827 389 HB2 GLU 50 HB2 GLU 50 -13.914 1.533 -8.282 390 HB3 GLU 50 HB1 GLU 50 -14.288 -0.020 -9.022 391 HG2 GLU 50 HG2 GLU 50 -16.102 -0.316 -7.336 392 HG3 GLU 50 HG1 GLU 50 -15.763 1.309 -6.749 393 H ALA 51 HN ALA 51 -11.235 0.059 -6.002 394 HA ALA 51 HA ALA 51 -9.550 -0.614 -8.355 395 HB1 ALA 51 HB1 ALA 51 -9.156 1.615 -7.462 396 HB2 ALA 51 HB2 ALA 51 -7.772 0.550 -7.157 397 HB3 ALA 51 HB3 ALA 51 -8.903 0.923 -5.865 398 H ASP 52 HN ASP 52 -8.229 -2.241 -8.288 399 HA ASP 52 HA ASP 52 -7.847 -3.533 -5.715 400 HB2 ASP 52 HB2 ASP 52 -8.150 -5.698 -6.558 401 HB3 ASP 52 HB1 ASP 52 -9.509 -4.780 -7.163 402 H GLY 53 HN GLY 53 -5.881 -4.528 -5.464 403 HA2 GLY 53 HA2 GLY 53 -3.641 -4.891 -5.698 404 HA3 GLY 53 HA1 GLY 53 -4.044 -5.159 -7.374 405 H LYS 54 HN LYS 54 -3.230 -3.919 -8.841 406 HA LYS 54 HA LYS 54 -1.204 -2.028 -8.306 407 HB2 LYS 54 HB2 LYS 54 -1.540 -3.399 -10.429 408 HB3 LYS 54 HB1 LYS 54 -2.741 -2.191 -10.880 409 HG2 LYS 54 HG2 LYS 54 -0.599 -0.666 -10.123 410 HG3 LYS 54 HG1 LYS 54 0.164 -2.033 -10.898 411 HD2 LYS 54 HD2 LYS 54 -0.138 -0.495 -12.630 412 HD3 LYS 54 HD1 LYS 54 -1.516 -1.586 -12.812 413 HE2 LYS 54 HE2 LYS 54 -2.945 -0.073 -11.647 414 HE3 LYS 54 HE1 LYS 54 -1.591 0.962 -11.239 415 HZ1 LYS 54 HZ1 LYS 54 -2.750 0.559 -13.961 416 HZ2 LYS 54 HZ2 LYS 54 -1.269 1.307 -13.645 417 HZ3 LYS 54 HZ3 LYS 54 -2.663 1.991 -13.034 418 H LYS 55 HN LYS 55 -4.604 -1.735 -9.109 419 HA LYS 55 HA LYS 55 -4.413 0.973 -9.609 420 HB2 LYS 55 HB2 LYS 55 -6.732 -0.787 -9.038 421 HB3 LYS 55 HB1 LYS 55 -7.001 0.935 -8.982 422 HG2 LYS 55 HG2 LYS 55 -5.945 -0.656 -11.286 423 HG3 LYS 55 HG1 LYS 55 -7.586 0.003 -11.139 424 HD2 LYS 55 HD2 LYS 55 -5.023 1.658 -11.304 425 HD3 LYS 55 HD1 LYS 55 -6.125 1.360 -12.628 426 HE2 LYS 55 HE2 LYS 55 -7.011 2.691 -10.071 427 HE3 LYS 55 HE1 LYS 55 -6.362 3.587 -11.438 428 HZ1 LYS 55 HZ1 LYS 55 -8.743 1.825 -11.550 429 HZ2 LYS 55 HZ2 LYS 55 -8.143 2.757 -12.807 430 HZ3 LYS 55 HZ3 LYS 55 -8.788 3.503 -11.445 431 H LEU 56 HN LEU 56 -5.047 -0.814 -6.706 432 HA LEU 56 HA LEU 56 -5.660 1.445 -5.122 433 HB2 LEU 56 HB2 LEU 56 -6.179 -0.922 -4.476 434 HB3 LEU 56 HB1 LEU 56 -4.483 -1.166 -4.224 435 HG LEU 56 HG LEU 56 -4.431 0.553 -2.465 436 HD11 LEU 56 HD11 LEU 56 -6.248 1.965 -3.177 437 HD12 LEU 56 HD12 LEU 56 -6.539 1.396 -1.533 438 HD13 LEU 56 HD13 LEU 56 -7.401 0.663 -2.886 439 HD21 LEU 56 HD21 LEU 56 -6.490 -1.580 -2.050 440 HD22 LEU 56 HD22 LEU 56 -5.663 -0.685 -0.767 441 HD23 LEU 56 HD23 LEU 56 -4.747 -1.749 -1.838 442 H ALA 57 HN ALA 57 -2.665 -0.267 -5.855 443 HA ALA 57 HA ALA 57 -0.900 1.157 -4.216 444 HB1 ALA 57 HB1 ALA 57 -0.390 0.018 -6.971 445 HB2 ALA 57 HB2 ALA 57 -0.253 -0.868 -5.454 446 HB3 ALA 57 HB3 ALA 57 0.850 0.462 -5.802 447 H GLU 58 HN GLU 58 -2.240 1.853 -7.365 448 HA GLU 58 HA GLU 58 -0.718 4.139 -8.065 449 HB2 GLU 58 HB2 GLU 58 -1.981 2.672 -9.643 450 HB3 GLU 58 HB1 GLU 58 -3.480 3.249 -8.953 451 HG2 GLU 58 HG2 GLU 58 -2.948 5.512 -9.793 452 HG3 GLU 58 HG1 GLU 58 -1.481 4.857 -10.523 453 H ILE 59 HN ILE 59 -3.534 3.629 -6.112 454 HA ILE 59 HA ILE 59 -4.139 6.425 -5.907 455 HB ILE 59 HB ILE 59 -5.271 4.018 -4.425 456 HG12 ILE 59 HG12 ILE 59 -6.677 5.644 -6.509 457 HG13 ILE 59 HG11 ILE 59 -5.553 4.375 -7.007 458 HG21 ILE 59 HG21 ILE 59 -6.220 6.890 -4.550 459 HG22 ILE 59 HG22 ILE 59 -5.570 6.076 -3.120 460 HG23 ILE 59 HG23 ILE 59 -7.110 5.562 -3.812 461 HD11 ILE 59 HD11 ILE 59 -7.861 3.658 -7.007 462 HD12 ILE 59 HD12 ILE 59 -7.993 4.015 -5.272 463 HD13 ILE 59 HD13 ILE 59 -6.880 2.774 -5.869 464 H LEU 60 HN LEU 60 -2.510 3.947 -3.965 465 HA LEU 60 HA LEU 60 -2.026 5.518 -1.684 466 HB2 LEU 60 HB2 LEU 60 -0.681 3.102 -2.802 467 HB3 LEU 60 HB1 LEU 60 0.208 4.025 -1.623 468 HG LEU 60 HG LEU 60 -0.835 2.184 -0.535 469 HD11 LEU 60 HD11 LEU 60 -2.155 3.268 1.187 470 HD12 LEU 60 HD12 LEU 60 -2.313 4.699 0.177 471 HD13 LEU 60 HD13 LEU 60 -0.722 4.203 0.760 472 HD21 LEU 60 HD21 LEU 60 -3.452 3.178 -1.640 473 HD22 LEU 60 HD22 LEU 60 -3.269 1.882 -0.447 474 HD23 LEU 60 HD23 LEU 60 -2.614 1.679 -2.070 475 H VAL 61 HN VAL 61 -0.142 5.180 -4.673 476 HA VAL 61 HA VAL 61 1.966 6.871 -3.740 477 HB VAL 61 HB VAL 61 2.279 5.111 -5.473 478 HG11 VAL 61 HG11 VAL 61 1.656 5.497 -7.785 479 HG12 VAL 61 HG12 VAL 61 0.779 6.948 -7.296 480 HG13 VAL 61 HG13 VAL 61 0.260 5.365 -6.714 481 HG21 VAL 61 HG21 VAL 61 3.962 6.865 -5.303 482 HG22 VAL 61 HG22 VAL 61 3.062 7.853 -6.460 483 HG23 VAL 61 HG23 VAL 61 3.760 6.312 -6.966 484 H ASN 62 HN ASN 62 -1.118 7.505 -4.830 485 HA ASN 62 HA ASN 62 -0.742 10.024 -6.121 486 HB2 ASN 62 HB2 ASN 62 -2.763 8.649 -6.468 487 HB3 ASN 62 HB1 ASN 62 -3.191 8.813 -4.784 488 HD21 ASN 62 HD21 ASN 62 -4.645 9.423 -7.168 489 HD22 ASN 62 HD22 ASN 62 -5.123 11.077 -7.058 490 H THR 63 HN THR 63 -1.375 8.995 -2.784 491 HA THR 63 HA THR 63 -1.295 11.811 -2.046 492 HB THR 63 HB THR 63 -2.324 11.001 0.110 493 HG1 THR 63 HG1 THR 63 -3.472 8.901 -0.302 494 HG21 THR 63 HG21 THR 63 -4.569 10.782 -0.893 495 HG22 THR 63 HG22 THR 63 -3.819 10.556 -2.478 496 HG23 THR 63 HG23 THR 63 -3.622 12.083 -1.609 497 H SER 64 HN SER 64 0.274 8.718 -1.412 498 HA SER 64 HA SER 64 1.729 9.974 0.773 499 HB2 SER 64 HB2 SER 64 1.446 7.095 0.025 500 HB3 SER 64 HB1 SER 64 2.140 7.738 1.518 501 HG SER 64 HG SER 64 -0.472 8.376 0.702 502 H SER 65 HN SER 65 3.941 9.871 0.904 503 HA SER 65 HA SER 65 5.477 9.718 -1.523 504 HB2 SER 65 HB2 SER 65 6.010 11.437 0.128 505 HB3 SER 65 HB1 SER 65 6.215 10.217 1.381 506 HG SER 65 HG SER 65 7.867 10.780 -0.845 507 H GLU 66 HN GLU 66 7.228 8.238 -1.836 508 HA GLU 66 HA GLU 66 6.733 5.570 -1.373 509 HB2 GLU 66 HB2 GLU 66 9.113 5.178 -1.998 510 HB3 GLU 66 HB1 GLU 66 8.231 6.206 -3.117 511 HG2 GLU 66 HG2 GLU 66 9.340 8.144 -2.302 512 HG3 GLU 66 HG1 GLU 66 10.060 7.238 -0.971 513 H ASN 67 HN ASN 67 8.716 7.754 0.523 514 HA ASN 67 HA ASN 67 9.832 5.713 2.177 515 HB2 ASN 67 HB2 ASN 67 10.925 7.931 1.731 516 HB3 ASN 67 HB1 ASN 67 9.696 8.700 2.728 517 HD21 ASN 67 HD21 ASN 67 11.259 9.466 4.207 518 HD22 ASN 67 HD22 ASN 67 12.067 8.380 5.281 519 H TRP 68 HN TRP 68 6.862 7.264 2.108 520 HA TRP 68 HA TRP 68 6.227 6.878 4.922 521 HB2 TRP 68 HB2 TRP 68 5.454 8.884 3.630 522 HB3 TRP 68 HB1 TRP 68 4.510 7.811 2.612 523 HD1 TRP 68 HD1 TRP 68 4.488 9.581 5.892 524 HE1 TRP 68 HE1 TRP 68 2.170 9.286 7.034 525 HE3 TRP 68 HE3 TRP 68 2.556 5.948 2.892 526 HZ2 TRP 68 HZ2 TRP 68 -0.104 7.688 6.702 527 HZ3 TRP 68 HZ3 TRP 68 0.327 5.093 3.361 528 HH2 TRP 68 HH2 TRP 68 -0.973 5.916 5.206 529 H ILE 69 HN ILE 69 5.187 5.807 1.691 530 HA ILE 69 HA ILE 69 3.184 4.002 2.504 531 HB ILE 69 HB ILE 69 4.798 3.672 -0.043 532 HG12 ILE 69 HG12 ILE 69 2.326 5.334 0.365 533 HG13 ILE 69 HG11 ILE 69 3.944 6.021 0.263 534 HG21 ILE 69 HG21 ILE 69 2.674 2.721 -0.879 535 HG22 ILE 69 HG22 ILE 69 1.935 3.006 0.697 536 HG23 ILE 69 HG23 ILE 69 3.253 1.847 0.540 537 HD11 ILE 69 HD11 ILE 69 2.517 4.484 -1.899 538 HD12 ILE 69 HD12 ILE 69 4.153 5.143 -2.015 539 HD13 ILE 69 HD13 ILE 69 2.776 6.228 -1.844 540 H ARG 70 HN ARG 70 6.621 3.580 1.995 541 HA ARG 70 HA ARG 70 6.652 0.803 2.028 542 HB2 ARG 70 HB2 ARG 70 9.009 0.912 2.444 543 HB3 ARG 70 HB1 ARG 70 8.561 2.197 1.344 544 HG2 ARG 70 HG2 ARG 70 8.735 3.822 3.117 545 HG3 ARG 70 HG1 ARG 70 9.121 2.534 4.271 546 HD2 ARG 70 HD2 ARG 70 11.044 1.918 2.809 547 HD3 ARG 70 HD1 ARG 70 10.701 3.348 1.849 548 HE ARG 70 HE ARG 70 11.192 4.671 3.848 549 HH11 ARG 70 HH11 ARG 70 12.282 1.295 3.924 550 HH12 ARG 70 HH12 ARG 70 13.735 1.686 4.767 551 HH21 ARG 70 HH21 ARG 70 13.141 5.122 5.040 552 HH22 ARG 70 HH22 ARG 70 14.183 3.834 5.452 553 H ASN 71 HN ASN 71 6.541 3.060 4.689 554 HA ASN 71 HA ASN 71 6.934 1.055 6.731 555 HB2 ASN 71 HB2 ASN 71 7.454 3.435 7.201 556 HB3 ASN 71 HB1 ASN 71 5.776 3.862 6.893 557 HD21 ASN 71 HD21 ASN 71 4.194 3.424 8.508 558 HD22 ASN 71 HD22 ASN 71 4.637 2.964 10.098 559 H ALA 72 HN ALA 72 4.321 2.841 5.298 560 HA ALA 72 HA ALA 72 2.197 2.051 6.847 561 HB1 ALA 72 HB1 ALA 72 0.777 2.763 5.053 562 HB2 ALA 72 HB2 ALA 72 2.133 2.702 3.931 563 HB3 ALA 72 HB3 ALA 72 2.131 3.875 5.252 564 H THR 73 HN THR 73 3.159 0.664 3.693 565 HA THR 73 HA THR 73 1.076 -1.226 3.724 566 HB THR 73 HB THR 73 2.145 -0.536 1.600 567 HG1 THR 73 HG1 THR 73 1.820 -3.197 2.338 568 HG21 THR 73 HG21 THR 73 4.308 -1.504 0.909 569 HG22 THR 73 HG22 THR 73 4.499 -2.213 2.516 570 HG23 THR 73 HG23 THR 73 4.496 -0.460 2.320 571 H VAL 74 HN VAL 74 4.342 -1.427 4.992 572 HA VAL 74 HA VAL 74 4.214 -4.227 5.427 573 HB VAL 74 HB VAL 74 5.945 -2.115 6.774 574 HG11 VAL 74 HG11 VAL 74 5.715 -4.068 8.233 575 HG12 VAL 74 HG12 VAL 74 7.340 -3.986 7.553 576 HG13 VAL 74 HG13 VAL 74 6.167 -5.127 6.898 577 HG21 VAL 74 HG21 VAL 74 6.543 -4.115 4.597 578 HG22 VAL 74 HG22 VAL 74 7.718 -3.044 5.348 579 HG23 VAL 74 HG23 VAL 74 6.391 -2.367 4.399 580 H ASN 75 HN ASN 75 3.704 -1.420 7.490 581 HA ASN 75 HA ASN 75 2.919 -2.673 9.869 582 HB2 ASN 75 HB2 ASN 75 3.421 -0.281 9.664 583 HB3 ASN 75 HB1 ASN 75 2.018 -0.065 8.651 584 HD21 ASN 75 HD21 ASN 75 1.973 -2.051 11.614 585 HD22 ASN 75 HD22 ASN 75 0.921 -0.985 12.448 586 H ILE 76 HN ILE 76 0.934 -1.714 7.099 587 HA ILE 76 HA ILE 76 -1.517 -2.566 8.222 588 HB ILE 76 HB ILE 76 -0.877 -2.556 5.254 589 HG12 ILE 76 HG12 ILE 76 -0.402 -0.338 6.222 590 HG13 ILE 76 HG11 ILE 76 -1.792 -0.285 5.159 591 HG21 ILE 76 HG21 ILE 76 -3.492 -2.372 6.736 592 HG22 ILE 76 HG22 ILE 76 -2.912 -3.751 5.806 593 HG23 ILE 76 HG23 ILE 76 -3.309 -2.240 4.984 594 HD11 ILE 76 HD11 ILE 76 -1.832 -0.289 8.173 595 HD12 ILE 76 HD12 ILE 76 -3.263 -0.279 7.132 596 HD13 ILE 76 HD13 ILE 76 -2.145 1.081 7.100 597 H LEU 77 HN LEU 77 0.890 -4.319 6.237 598 HA LEU 77 HA LEU 77 -0.734 -6.621 6.106 599 HB2 LEU 77 HB2 LEU 77 2.246 -6.468 5.681 600 HB3 LEU 77 HB1 LEU 77 1.251 -7.843 5.273 601 HG LEU 77 HG LEU 77 1.360 -5.178 4.066 602 HD11 LEU 77 HD11 LEU 77 2.960 -6.653 3.170 603 HD12 LEU 77 HD12 LEU 77 1.713 -6.400 1.953 604 HD13 LEU 77 HD13 LEU 77 1.743 -7.898 2.885 605 HD21 LEU 77 HD21 LEU 77 -0.983 -5.578 4.252 606 HD22 LEU 77 HD22 LEU 77 -0.826 -7.169 3.501 607 HD23 LEU 77 HD23 LEU 77 -0.498 -5.708 2.570 608 H GLU 78 HN GLU 78 1.752 -5.520 8.280 609 HA GLU 78 HA GLU 78 2.086 -7.778 9.895 610 HB2 GLU 78 HB2 GLU 78 2.137 -4.843 10.598 611 HB3 GLU 78 HB1 GLU 78 2.660 -6.063 11.723 612 HG2 GLU 78 HG2 GLU 78 3.885 -5.380 9.066 613 HG3 GLU 78 HG1 GLU 78 4.546 -5.039 10.663 614 H GLU 79 HN GLU 79 -0.373 -5.298 9.848 615 HA GLU 79 HA GLU 79 -1.673 -6.130 12.241 616 HB2 GLU 79 HB2 GLU 79 -1.788 -3.836 10.930 617 HB3 GLU 79 HB1 GLU 79 -3.071 -4.638 10.048 618 HG2 GLU 79 HG2 GLU 79 -3.986 -3.320 11.843 619 HG3 GLU 79 HG1 GLU 79 -4.285 -5.039 12.118 620 H MET 80 HN MET 80 -1.835 -6.998 8.891 621 HA MET 80 HA MET 80 -4.250 -8.585 9.150 622 HB2 MET 80 HB2 MET 80 -2.249 -8.399 6.888 623 HB3 MET 80 HB1 MET 80 -3.736 -9.330 6.833 624 HG2 MET 80 HG2 MET 80 -5.022 -7.267 7.089 625 HG3 MET 80 HG1 MET 80 -3.524 -6.345 7.131 626 HE1 MET 80 HE1 MET 80 -4.433 -9.451 4.839 627 HE2 MET 80 HE2 MET 80 -5.077 -8.626 3.421 628 HE3 MET 80 HE3 MET 80 -5.938 -8.541 4.960 629 H ASN 81 HN ASN 81 -1.147 -8.954 10.082 630 HA ASN 81 HA ASN 81 0.160 -10.612 10.857 631 HB2 ASN 81 HB2 ASN 81 -2.128 -11.462 11.824 632 HB3 ASN 81 HB1 ASN 81 -2.127 -12.562 10.468 633 HD21 ASN 81 HD21 ASN 81 -1.016 -14.319 10.618 634 HD22 ASN 81 HD22 ASN 81 -0.018 -14.823 11.943 635 H LEU 82 HN LEU 82 0.045 -9.939 8.135 636 HA LEU 82 HA LEU 82 0.453 -12.301 6.577 637 HB2 LEU 82 HB2 LEU 82 0.438 -9.383 6.134 638 HB3 LEU 82 HB1 LEU 82 1.347 -10.358 4.988 639 HG LEU 82 HG LEU 82 -1.537 -10.990 5.611 640 HD11 LEU 82 HD11 LEU 82 -2.124 -9.689 3.599 641 HD12 LEU 82 HD12 LEU 82 -0.461 -9.182 3.415 642 HD13 LEU 82 HD13 LEU 82 -1.410 -8.620 4.804 643 HD21 LEU 82 HD21 LEU 82 -1.388 -11.987 3.427 644 HD22 LEU 82 HD22 LEU 82 -0.067 -12.586 4.482 645 HD23 LEU 82 HD23 LEU 82 0.229 -11.292 3.295 646 H THR 83 HN THR 83 2.290 -13.280 6.162 647 HA THR 83 HA THR 83 4.762 -11.996 7.048 648 HB THR 83 HB THR 83 5.531 -14.491 7.062 649 HG1 THR 83 HG1 THR 83 2.929 -15.037 7.925 650 HG21 THR 83 HG21 THR 83 3.824 -13.305 9.245 651 HG22 THR 83 HG22 THR 83 5.577 -13.123 9.000 652 HG23 THR 83 HG23 THR 83 4.913 -14.692 9.436 653 H GLU 84 HN GLU 84 3.459 -14.458 4.989 654 HA GLU 84 HA GLU 84 5.459 -15.058 3.316 655 HB2 GLU 84 HB2 GLU 84 3.620 -15.438 1.535 656 HB3 GLU 84 HB1 GLU 84 3.557 -16.339 3.039 657 HG2 GLU 84 HG2 GLU 84 2.021 -13.788 2.795 658 HG3 GLU 84 HG1 GLU 84 1.363 -15.259 2.058 659 H LEU 85 HN LEU 85 3.128 -12.539 2.254 660 HA LEU 85 HA LEU 85 5.230 -11.669 0.474 661 HB2 LEU 85 HB2 LEU 85 3.580 -10.121 -0.505 662 HB3 LEU 85 HB1 LEU 85 3.128 -11.809 -0.581 663 HG LEU 85 HG LEU 85 2.007 -10.275 1.696 664 HD11 LEU 85 HD11 LEU 85 0.284 -9.335 0.305 665 HD12 LEU 85 HD12 LEU 85 1.047 -9.993 -1.143 666 HD13 LEU 85 HD13 LEU 85 1.849 -8.717 -0.222 667 HD21 LEU 85 HD21 LEU 85 0.071 -11.646 1.159 668 HD22 LEU 85 HD22 LEU 85 1.513 -12.661 1.271 669 HD23 LEU 85 HD23 LEU 85 0.868 -12.224 -0.301 670 H CYS 86 HN CYS 86 4.142 -10.825 3.545 671 HA CYS 86 HA CYS 86 4.680 -8.019 3.385 672 HB2 CYS 86 HB2 CYS 86 3.285 -9.095 5.189 673 HB3 CYS 86 HB1 CYS 86 4.782 -9.807 5.759 674 HG CYS 86 HG CYS 86 4.389 -7.784 7.561 675 H LYS 87 HN LYS 87 6.510 -10.879 4.097 676 HA LYS 87 HA LYS 87 8.914 -9.669 4.925 677 HB2 LYS 87 HB2 LYS 87 8.233 -12.327 3.714 678 HB3 LYS 87 HB1 LYS 87 9.871 -11.903 4.202 679 HG2 LYS 87 HG2 LYS 87 9.316 -11.827 6.459 680 HG3 LYS 87 HG1 LYS 87 7.593 -11.660 6.135 681 HD2 LYS 87 HD2 LYS 87 8.284 -13.908 6.991 682 HD3 LYS 87 HD1 LYS 87 7.423 -13.939 5.454 683 HE2 LYS 87 HE2 LYS 87 9.436 -14.160 4.266 684 HE3 LYS 87 HE1 LYS 87 10.410 -14.024 5.749 685 HZ1 LYS 87 HZ1 LYS 87 8.479 -16.182 5.066 686 HZ2 LYS 87 HZ2 LYS 87 9.393 -16.128 6.487 687 HZ3 LYS 87 HZ3 LYS 87 10.150 -16.330 4.991 688 H MET 88 HN MET 88 7.444 -10.141 1.829 689 HA MET 88 HA MET 88 9.780 -9.751 0.258 690 HB2 MET 88 HB2 MET 88 7.655 -10.860 -0.498 691 HB3 MET 88 HB1 MET 88 6.872 -9.303 -0.407 692 HG2 MET 88 HG2 MET 88 7.439 -9.808 -2.679 693 HG3 MET 88 HG1 MET 88 8.358 -8.418 -2.091 694 HE1 MET 88 HE1 MET 88 9.971 -8.737 -4.278 695 HE2 MET 88 HE2 MET 88 8.998 -10.130 -4.731 696 HE3 MET 88 HE3 MET 88 10.755 -10.273 -4.653 697 H ALA 89 HN ALA 89 7.181 -7.842 1.581 698 HA ALA 89 HA ALA 89 7.924 -5.363 0.430 699 HB1 ALA 89 HB1 ALA 89 6.440 -4.367 2.053 700 HB2 ALA 89 HB2 ALA 89 6.404 -5.889 2.965 701 HB3 ALA 89 HB3 ALA 89 5.733 -5.814 1.329 702 H LYS 90 HN LYS 90 8.682 -6.944 3.474 703 HA LYS 90 HA LYS 90 10.250 -4.875 4.595 704 HB2 LYS 90 HB2 LYS 90 10.321 -7.857 5.097 705 HB3 LYS 90 HB1 LYS 90 11.161 -6.664 6.078 706 HG2 LYS 90 HG2 LYS 90 9.057 -5.649 6.707 707 HG3 LYS 90 HG1 LYS 90 8.185 -6.762 5.656 708 HD2 LYS 90 HD2 LYS 90 8.921 -8.641 7.017 709 HD3 LYS 90 HD1 LYS 90 9.825 -7.544 8.071 710 HE2 LYS 90 HE2 LYS 90 7.737 -6.390 8.634 711 HE3 LYS 90 HE1 LYS 90 6.847 -7.495 7.596 712 HZ1 LYS 90 HZ1 LYS 90 6.696 -8.083 9.923 713 HZ2 LYS 90 HZ2 LYS 90 8.363 -8.277 10.026 714 HZ3 LYS 90 HZ3 LYS 90 7.448 -9.319 9.055 715 H ALA 91 HN ALA 91 10.886 -7.067 2.101 716 HA ALA 91 HA ALA 91 13.772 -6.733 2.224 717 HB1 ALA 91 HB1 ALA 91 12.755 -8.931 1.595 718 HB2 ALA 91 HB2 ALA 91 13.820 -8.278 0.349 719 HB3 ALA 91 HB3 ALA 91 12.073 -8.149 0.164 720 H GLU 92 HN GLU 92 11.220 -6.219 -0.036 721 HA GLU 92 HA GLU 92 12.714 -4.708 -1.926 722 HB2 GLU 92 HB2 GLU 92 9.890 -5.414 -1.511 723 HB3 GLU 92 HB1 GLU 92 10.417 -4.508 -2.933 724 HG2 GLU 92 HG2 GLU 92 11.576 -7.127 -2.095 725 HG3 GLU 92 HG1 GLU 92 10.131 -7.049 -3.086 726 H MET 93 HN MET 93 9.825 -3.803 0.003 727 HA MET 93 HA MET 93 10.163 -1.082 -0.759 728 HB2 MET 93 HB2 MET 93 8.003 -2.558 0.548 729 HB3 MET 93 HB1 MET 93 8.266 -0.970 1.287 730 HG2 MET 93 HG2 MET 93 7.927 -1.413 -1.652 731 HG3 MET 93 HG1 MET 93 6.547 -1.291 -0.589 732 HE1 MET 93 HE1 MET 93 10.031 0.887 -0.729 733 HE2 MET 93 HE2 MET 93 9.429 2.182 -1.765 734 HE3 MET 93 HE3 MET 93 9.517 0.532 -2.376 735 H MET 94 HN MET 94 11.295 -2.911 1.809 736 HA MET 94 HA MET 94 12.036 -0.489 3.171 737 HB2 MET 94 HB2 MET 94 12.605 -3.361 3.852 738 HB3 MET 94 HB1 MET 94 13.262 -2.000 4.765 739 HG2 MET 94 HG2 MET 94 10.369 -2.507 4.266 740 HG3 MET 94 HG1 MET 94 11.203 -2.913 5.785 741 HE1 MET 94 HE1 MET 94 9.072 0.149 6.915 742 HE2 MET 94 HE2 MET 94 9.510 -1.535 7.221 743 HE3 MET 94 HE3 MET 94 8.568 -1.109 5.791 744 H GLU 95 HN GLU 95 13.026 0.440 1.580 745 HA GLU 95 HA GLU 95 15.378 -0.577 0.341 746 HB2 GLU 95 HB2 GLU 95 13.770 0.862 -0.821 747 HB3 GLU 95 HB1 GLU 95 14.083 2.149 0.320 748 HG2 GLU 95 HG2 GLU 95 16.390 2.294 -0.518 749 HG3 GLU 95 HG1 GLU 95 16.020 1.022 -1.686 750 H ASP 96 HN ASP 96 16.388 -0.999 2.399 751 HA ASP 96 HA ASP 96 18.280 1.093 3.093 752 HB2 ASP 96 HB2 ASP 96 16.572 -0.349 5.145 753 HB3 ASP 96 HB1 ASP 96 18.081 0.461 5.517 754 H GLY 97 HN GLY 97 20.125 0.124 4.149 755 HA2 GLY 97 HA2 GLY 97 20.439 -2.697 3.519 756 HA3 GLY 97 HA1 GLY 97 21.711 -1.594 4.060 757 H GLN 98 HN GLN 98 22.343 -3.086 5.737 758 HA GLN 98 HA GLN 98 20.374 -3.044 7.850 759 HB2 GLN 98 HB2 GLN 98 22.310 -5.226 7.210 760 HB3 GLN 98 HB1 GLN 98 21.675 -4.964 8.837 761 HG2 GLN 98 HG2 GLN 98 19.932 -5.370 6.416 762 HG3 GLN 98 HG1 GLN 98 20.397 -6.659 7.525 763 HE21 GLN 98 HE21 GLN 98 18.519 -3.775 7.134 764 HE22 GLN 98 HE22 GLN 98 17.582 -3.938 8.579 Start of MODEL 6 1 H MET 3 HT1 MET 3 13.260 3.573 -4.814 2 HA MET 3 HA MET 3 15.445 4.221 -5.334 3 HB2 MET 3 HB2 MET 3 16.461 1.949 -5.369 4 HB3 MET 3 HB1 MET 3 15.618 1.610 -6.873 5 HG2 MET 3 HG2 MET 3 16.850 3.408 -7.982 6 HG3 MET 3 HG1 MET 3 17.695 3.752 -6.479 7 HE1 MET 3 HE1 MET 3 19.876 0.519 -6.003 8 HE2 MET 3 HE2 MET 3 18.263 0.772 -5.351 9 HE3 MET 3 HE3 MET 3 19.436 2.093 -5.338 10 H THR 4 HN THR 4 13.731 2.253 -7.850 11 HA THR 4 HA THR 4 13.550 4.714 -9.380 12 HB THR 4 HB THR 4 12.794 3.014 -11.183 13 HG1 THR 4 HG1 THR 4 14.221 1.039 -9.930 14 HG21 THR 4 HG21 THR 4 15.619 2.883 -10.100 15 HG22 THR 4 HG22 THR 4 15.007 4.098 -11.222 16 HG23 THR 4 HG23 THR 4 15.123 2.412 -11.724 17 H SER 5 HN SER 5 11.588 5.561 -9.956 18 HA SER 5 HA SER 5 9.358 5.121 -8.377 19 HB2 SER 5 HB2 SER 5 9.760 7.242 -9.580 20 HB3 SER 5 HB1 SER 5 9.458 6.433 -11.115 21 HG SER 5 HG SER 5 7.673 7.659 -10.061 22 HA PRO 6 HA PRO 6 7.490 2.389 -12.094 23 HB2 PRO 6 HB2 PRO 6 9.604 0.841 -13.115 24 HB3 PRO 6 HB1 PRO 6 8.744 2.123 -13.977 25 HG2 PRO 6 HG2 PRO 6 11.338 2.200 -12.520 26 HG3 PRO 6 HG1 PRO 6 10.861 3.038 -14.008 27 HD2 PRO 6 HD2 PRO 6 10.998 4.344 -11.700 28 HD3 PRO 6 HD1 PRO 6 9.688 4.679 -12.851 29 H GLN 7 HN GLN 7 10.512 1.297 -10.492 30 HA GLN 7 HA GLN 7 9.415 -1.206 -9.901 31 HB2 GLN 7 HB2 GLN 7 11.910 0.141 -8.963 32 HB3 GLN 7 HB1 GLN 7 11.427 -1.431 -8.333 33 HG2 GLN 7 HG2 GLN 7 11.804 -0.811 -11.245 34 HG3 GLN 7 HG1 GLN 7 13.040 -1.550 -10.218 35 HE21 GLN 7 HE21 GLN 7 10.015 -2.032 -11.897 36 HE22 GLN 7 HE22 GLN 7 9.954 -3.732 -11.661 37 H LEU 8 HN LEU 8 9.582 1.787 -8.217 38 HA LEU 8 HA LEU 8 8.844 1.156 -5.607 39 HB2 LEU 8 HB2 LEU 8 9.528 3.378 -6.608 40 HB3 LEU 8 HB1 LEU 8 7.960 3.472 -7.334 41 HG LEU 8 HG LEU 8 8.496 3.544 -4.412 42 HD11 LEU 8 HD11 LEU 8 7.917 5.709 -6.427 43 HD12 LEU 8 HD12 LEU 8 9.431 5.465 -5.553 44 HD13 LEU 8 HD13 LEU 8 7.983 5.971 -4.689 45 HD21 LEU 8 HD21 LEU 8 5.977 4.114 -5.990 46 HD22 LEU 8 HD22 LEU 8 6.170 4.424 -4.259 47 HD23 LEU 8 HD23 LEU 8 6.241 2.770 -4.880 48 H GLU 9 HN GLU 9 6.730 2.088 -8.311 49 HA GLU 9 HA GLU 9 4.317 1.450 -6.988 50 HB2 GLU 9 HB2 GLU 9 4.508 3.005 -8.874 51 HB3 GLU 9 HB1 GLU 9 4.833 1.663 -9.967 52 HG2 GLU 9 HG2 GLU 9 2.581 0.728 -9.336 53 HG3 GLU 9 HG1 GLU 9 2.282 2.223 -8.449 54 H TRP 10 HN TRP 10 6.443 -0.335 -9.130 55 HA TRP 10 HA TRP 10 4.852 -2.589 -9.486 56 HB2 TRP 10 HB2 TRP 10 6.784 -2.351 -10.898 57 HB3 TRP 10 HB1 TRP 10 7.848 -2.276 -9.496 58 HD1 TRP 10 HD1 TRP 10 5.870 -4.834 -11.587 59 HE1 TRP 10 HE1 TRP 10 6.794 -7.199 -11.044 60 HE3 TRP 10 HE3 TRP 10 9.039 -3.636 -7.786 61 HZ2 TRP 10 HZ2 TRP 10 8.608 -8.362 -9.241 62 HZ3 TRP 10 HZ3 TRP 10 10.323 -5.410 -6.702 63 HH2 TRP 10 HH2 TRP 10 10.119 -7.697 -7.388 64 H THR 11 HN THR 11 7.242 -1.885 -6.938 65 HA THR 11 HA THR 11 7.030 -4.434 -5.797 66 HB THR 11 HB THR 11 7.799 -1.926 -4.268 67 HG1 THR 11 HG1 THR 11 9.090 -2.090 -6.152 68 HG21 THR 11 HG21 THR 11 9.142 -3.513 -2.979 69 HG22 THR 11 HG22 THR 11 8.548 -4.833 -3.985 70 HG23 THR 11 HG23 THR 11 7.433 -3.953 -2.941 71 H LEU 12 HN LEU 12 5.340 -1.453 -5.142 72 HA LEU 12 HA LEU 12 3.842 -2.300 -2.965 73 HB2 LEU 12 HB2 LEU 12 3.187 -0.461 -5.201 74 HB3 LEU 12 HB1 LEU 12 2.180 -0.592 -3.764 75 HG LEU 12 HG LEU 12 4.987 0.484 -3.981 76 HD11 LEU 12 HD11 LEU 12 2.334 1.746 -3.305 77 HD12 LEU 12 HD12 LEU 12 3.282 1.995 -4.768 78 HD13 LEU 12 HD13 LEU 12 3.899 2.561 -3.216 79 HD21 LEU 12 HD21 LEU 12 4.783 0.980 -1.581 80 HD22 LEU 12 HD22 LEU 12 4.772 -0.751 -1.901 81 HD23 LEU 12 HD23 LEU 12 3.260 0.092 -1.538 82 H GLN 13 HN GLN 13 3.117 -2.278 -6.469 83 HA GLN 13 HA GLN 13 0.528 -3.313 -6.333 84 HB2 GLN 13 HB2 GLN 13 0.551 -3.447 -8.674 85 HB3 GLN 13 HB1 GLN 13 1.700 -2.165 -8.334 86 HG2 GLN 13 HG2 GLN 13 3.498 -3.959 -8.560 87 HG3 GLN 13 HG1 GLN 13 2.236 -4.990 -9.203 88 HE21 GLN 13 HE21 GLN 13 2.617 -1.538 -9.779 89 HE22 GLN 13 HE22 GLN 13 2.933 -1.673 -11.465 90 H THR 14 HN THR 14 3.619 -4.942 -6.643 91 HA THR 14 HA THR 14 2.666 -7.495 -7.227 92 HB THR 14 HB THR 14 5.210 -6.680 -5.798 93 HG1 THR 14 HG1 THR 14 5.280 -5.678 -7.734 94 HG21 THR 14 HG21 THR 14 4.810 -9.116 -5.684 95 HG22 THR 14 HG22 THR 14 6.150 -8.703 -6.771 96 HG23 THR 14 HG23 THR 14 4.577 -9.134 -7.443 97 H LEU 15 HN LEU 15 3.048 -5.817 -4.183 98 HA LEU 15 HA LEU 15 2.566 -8.087 -2.510 99 HB2 LEU 15 HB2 LEU 15 2.185 -5.151 -1.994 100 HB3 LEU 15 HB1 LEU 15 2.212 -6.398 -0.767 101 HG LEU 15 HG LEU 15 4.579 -5.802 -2.537 102 HD11 LEU 15 HD11 LEU 15 4.054 -3.815 -1.235 103 HD12 LEU 15 HD12 LEU 15 5.506 -4.608 -0.605 104 HD13 LEU 15 HD13 LEU 15 3.963 -4.790 0.232 105 HD21 LEU 15 HD21 LEU 15 4.309 -7.309 0.073 106 HD22 LEU 15 HD22 LEU 15 5.805 -7.010 -0.795 107 HD23 LEU 15 HD23 LEU 15 4.561 -8.028 -1.516 108 H LEU 16 HN LEU 16 0.658 -5.413 -3.767 109 HA LEU 16 HA LEU 16 -1.731 -6.311 -2.541 110 HB2 LEU 16 HB2 LEU 16 -1.178 -4.076 -4.476 111 HB3 LEU 16 HB1 LEU 16 -2.812 -4.534 -4.040 112 HG LEU 16 HG LEU 16 -2.447 -3.943 -1.725 113 HD11 LEU 16 HD11 LEU 16 -0.157 -4.569 -1.497 114 HD12 LEU 16 HD12 LEU 16 -0.429 -2.908 -0.923 115 HD13 LEU 16 HD13 LEU 16 0.354 -3.197 -2.485 116 HD21 LEU 16 HD21 LEU 16 -3.178 -2.232 -3.187 117 HD22 LEU 16 HD22 LEU 16 -1.517 -1.813 -3.608 118 HD23 LEU 16 HD23 LEU 16 -2.111 -1.547 -1.962 119 H GLU 17 HN GLU 17 -0.175 -7.254 -5.379 120 HA GLU 17 HA GLU 17 -2.598 -8.251 -6.612 121 HB2 GLU 17 HB2 GLU 17 0.303 -8.722 -7.302 122 HB3 GLU 17 HB1 GLU 17 -1.044 -9.396 -8.201 123 HG2 GLU 17 HG2 GLU 17 -1.800 -7.093 -8.710 124 HG3 GLU 17 HG1 GLU 17 -0.364 -6.470 -7.903 125 H GLN 18 HN GLN 18 -0.438 -9.174 -4.241 126 HA GLN 18 HA GLN 18 -1.144 -11.991 -4.412 127 HB2 GLN 18 HB2 GLN 18 0.735 -10.463 -2.612 128 HB3 GLN 18 HB1 GLN 18 0.428 -12.196 -2.453 129 HG2 GLN 18 HG2 GLN 18 1.295 -12.562 -4.687 130 HG3 GLN 18 HG1 GLN 18 1.542 -10.830 -4.896 131 HE21 GLN 18 HE21 GLN 18 3.231 -9.862 -3.865 132 HE22 GLN 18 HE22 GLN 18 4.539 -10.758 -3.145 133 H LEU 19 HN LEU 19 -1.921 -9.094 -2.690 134 HA LEU 19 HA LEU 19 -3.841 -10.638 -1.095 135 HB2 LEU 19 HB2 LEU 19 -3.525 -9.225 0.743 136 HB3 LEU 19 HB1 LEU 19 -1.903 -9.429 0.107 137 HG LEU 19 HG LEU 19 -2.770 -7.192 -1.173 138 HD11 LEU 19 HD11 LEU 19 -4.744 -6.975 -0.065 139 HD12 LEU 19 HD12 LEU 19 -3.688 -5.672 0.496 140 HD13 LEU 19 HD13 LEU 19 -4.000 -7.090 1.530 141 HD21 LEU 19 HD21 LEU 19 -1.372 -5.893 0.304 142 HD22 LEU 19 HD22 LEU 19 -0.611 -7.366 -0.264 143 HD23 LEU 19 HD23 LEU 19 -1.224 -7.278 1.413 144 H ASN 20 HN ASN 20 -5.791 -10.296 -1.990 145 HA ASN 20 HA ASN 20 -6.773 -7.690 -2.222 146 HB2 ASN 20 HB2 ASN 20 -7.321 -7.679 -4.721 147 HB3 ASN 20 HB1 ASN 20 -5.659 -7.431 -4.252 148 HD21 ASN 20 HD21 ASN 20 -4.213 -8.971 -4.537 149 HD22 ASN 20 HD22 ASN 20 -4.353 -10.254 -5.711 150 H GLU 21 HN GLU 21 -7.363 -10.963 -3.392 151 HA GLU 21 HA GLU 21 -9.898 -11.132 -4.111 152 HB2 GLU 21 HB2 GLU 21 -8.502 -13.086 -3.900 153 HB3 GLU 21 HB1 GLU 21 -8.583 -12.987 -2.145 154 HG2 GLU 21 HG2 GLU 21 -11.002 -13.403 -2.254 155 HG3 GLU 21 HG1 GLU 21 -10.872 -13.568 -4.003 156 H ASP 22 HN ASP 22 -9.210 -11.635 -0.656 157 HA ASP 22 HA ASP 22 -11.667 -10.144 -0.016 158 HB2 ASP 22 HB2 ASP 22 -11.827 -12.712 0.022 159 HB3 ASP 22 HB1 ASP 22 -10.698 -12.614 1.372 160 H GLU 23 HN GLU 23 -8.802 -9.838 -0.164 161 HA GLU 23 HA GLU 23 -7.881 -9.611 2.632 162 HB2 GLU 23 HB2 GLU 23 -6.108 -9.035 0.349 163 HB3 GLU 23 HB1 GLU 23 -5.729 -9.860 1.840 164 HG2 GLU 23 HG2 GLU 23 -7.241 -10.906 -0.512 165 HG3 GLU 23 HG1 GLU 23 -5.590 -11.375 -0.100 166 H LEU 24 HN LEU 24 -8.369 -7.857 -0.348 167 HA LEU 24 HA LEU 24 -7.028 -5.477 0.312 168 HB2 LEU 24 HB2 LEU 24 -8.176 -6.466 -1.938 169 HB3 LEU 24 HB1 LEU 24 -9.407 -5.357 -1.411 170 HG LEU 24 HG LEU 24 -7.741 -3.536 -1.393 171 HD11 LEU 24 HD11 LEU 24 -5.639 -3.909 -2.625 172 HD12 LEU 24 HD12 LEU 24 -5.984 -5.637 -2.663 173 HD13 LEU 24 HD13 LEU 24 -5.705 -4.826 -1.124 174 HD21 LEU 24 HD21 LEU 24 -9.258 -3.944 -3.287 175 HD22 LEU 24 HD22 LEU 24 -8.029 -4.981 -4.016 176 HD23 LEU 24 HD23 LEU 24 -7.708 -3.260 -3.764 177 H LYS 25 HN LYS 25 -10.163 -6.704 0.869 178 HA LYS 25 HA LYS 25 -11.647 -4.490 1.645 179 HB2 LYS 25 HB2 LYS 25 -11.668 -7.313 2.696 180 HB3 LYS 25 HB1 LYS 25 -12.981 -6.147 2.853 181 HG2 LYS 25 HG2 LYS 25 -13.382 -6.140 0.531 182 HG3 LYS 25 HG1 LYS 25 -11.885 -7.007 0.195 183 HD2 LYS 25 HD2 LYS 25 -12.700 -8.955 1.210 184 HD3 LYS 25 HD1 LYS 25 -14.183 -8.157 1.771 185 HE2 LYS 25 HE2 LYS 25 -14.700 -7.711 -0.650 186 HE3 LYS 25 HE1 LYS 25 -13.318 -8.721 -1.069 187 HZ1 LYS 25 HZ1 LYS 25 -15.754 -9.555 0.388 188 HZ2 LYS 25 HZ2 LYS 25 -14.412 -10.531 0.203 189 HZ3 LYS 25 HZ3 LYS 25 -15.283 -10.030 -1.168 190 H SER 26 HN SER 26 -9.631 -6.719 3.646 191 HA SER 26 HA SER 26 -9.856 -5.479 6.056 192 HB2 SER 26 HB2 SER 26 -7.733 -7.077 4.712 193 HB3 SER 26 HB1 SER 26 -7.800 -6.755 6.420 194 HG SER 26 HG SER 26 -9.110 -8.382 6.562 195 H PHE 27 HN PHE 27 -7.390 -5.354 3.530 196 HA PHE 27 HA PHE 27 -5.522 -3.654 4.585 197 HB2 PHE 27 HB2 PHE 27 -5.255 -4.935 2.539 198 HB3 PHE 27 HB1 PHE 27 -6.468 -3.947 1.750 199 HD1 PHE 27 HD2 PHE 27 -5.824 -1.427 1.387 200 HD2 PHE 27 HD1 PHE 27 -2.989 -4.419 2.443 201 HE1 PHE 27 HE2 PHE 27 -4.002 0.028 0.607 202 HE2 PHE 27 HE1 PHE 27 -1.167 -2.971 1.658 203 HZ PHE 27 HZ PHE 27 -1.669 -0.746 0.740 204 H LYS 28 HN LYS 28 -8.267 -2.746 2.522 205 HA LYS 28 HA LYS 28 -7.945 0.027 2.485 206 HB2 LYS 28 HB2 LYS 28 -10.481 -1.609 2.396 207 HB3 LYS 28 HB1 LYS 28 -10.402 0.103 2.037 208 HG2 LYS 28 HG2 LYS 28 -9.093 -0.295 0.083 209 HG3 LYS 28 HG1 LYS 28 -8.874 -1.994 0.515 210 HD2 LYS 28 HD2 LYS 28 -11.299 -2.350 0.309 211 HD3 LYS 28 HD1 LYS 28 -11.498 -0.660 -0.156 212 HE2 LYS 28 HE2 LYS 28 -10.203 -1.003 -2.150 213 HE3 LYS 28 HE1 LYS 28 -9.804 -2.647 -1.653 214 HZ1 LYS 28 HZ1 LYS 28 -12.054 -3.315 -1.973 215 HZ2 LYS 28 HZ2 LYS 28 -11.646 -2.428 -3.342 216 HZ3 LYS 28 HZ3 LYS 28 -12.593 -1.748 -2.147 217 H SER 29 HN SER 29 -9.637 -2.035 4.780 218 HA SER 29 HA SER 29 -10.886 0.061 6.197 219 HB2 SER 29 HB2 SER 29 -11.592 -2.408 6.070 220 HB3 SER 29 HB1 SER 29 -10.273 -2.727 7.158 221 HG SER 29 HG SER 29 -11.730 -2.461 8.556 222 H LEU 30 HN LEU 30 -7.955 -1.798 6.691 223 HA LEU 30 HA LEU 30 -7.229 -0.734 9.240 224 HB2 LEU 30 HB2 LEU 30 -5.638 -2.009 7.053 225 HB3 LEU 30 HB1 LEU 30 -5.026 -1.780 8.680 226 HG LEU 30 HG LEU 30 -7.485 -3.399 8.024 227 HD11 LEU 30 HD11 LEU 30 -5.637 -4.328 6.900 228 HD12 LEU 30 HD12 LEU 30 -6.114 -5.354 8.248 229 HD13 LEU 30 HD13 LEU 30 -4.662 -4.327 8.376 230 HD21 LEU 30 HD21 LEU 30 -5.744 -3.282 10.482 231 HD22 LEU 30 HD22 LEU 30 -7.090 -4.390 10.232 232 HD23 LEU 30 HD23 LEU 30 -7.386 -2.654 10.325 233 H LEU 31 HN LEU 31 -6.496 0.025 5.947 234 HA LEU 31 HA LEU 31 -4.682 2.137 6.324 235 HB2 LEU 31 HB2 LEU 31 -4.691 1.229 4.247 236 HB3 LEU 31 HB1 LEU 31 -6.409 1.022 4.183 237 HG LEU 31 HG LEU 31 -6.367 3.655 3.902 238 HD11 LEU 31 HD11 LEU 31 -3.568 2.950 3.117 239 HD12 LEU 31 HD12 LEU 31 -4.120 4.134 4.321 240 HD13 LEU 31 HD13 LEU 31 -4.417 4.407 2.615 241 HD21 LEU 31 HD21 LEU 31 -5.592 1.747 1.708 242 HD22 LEU 31 HD22 LEU 31 -6.199 3.389 1.465 243 HD23 LEU 31 HD23 LEU 31 -7.220 2.180 2.240 244 H TRP 32 HN TRP 32 -8.156 1.931 6.419 245 HA TRP 32 HA TRP 32 -8.341 4.798 6.628 246 HB2 TRP 32 HB2 TRP 32 -10.010 2.842 5.629 247 HB3 TRP 32 HB1 TRP 32 -10.854 3.416 7.083 248 HD1 TRP 32 HD1 TRP 32 -12.247 5.592 6.688 249 HE1 TRP 32 HE1 TRP 32 -12.258 7.436 4.880 250 HE3 TRP 32 HE3 TRP 32 -8.328 4.023 4.033 251 HZ2 TRP 32 HZ2 TRP 32 -10.750 8.125 2.589 252 HZ3 TRP 32 HZ3 TRP 32 -7.589 5.315 1.991 253 HH2 TRP 32 HH2 TRP 32 -8.802 7.326 1.308 254 H ALA 33 HN ALA 33 -7.513 2.455 8.648 255 HA ALA 33 HA ALA 33 -9.099 3.362 10.925 256 HB1 ALA 33 HB1 ALA 33 -8.314 1.396 12.093 257 HB2 ALA 33 HB2 ALA 33 -7.252 0.995 10.743 258 HB3 ALA 33 HB3 ALA 33 -9.003 0.941 10.532 259 H PHE 34 HN PHE 34 -5.879 3.472 9.612 260 HA PHE 34 HA PHE 34 -4.725 4.202 12.122 261 HB2 PHE 34 HB2 PHE 34 -2.596 4.398 10.901 262 HB3 PHE 34 HB1 PHE 34 -3.466 3.008 10.289 263 HD1 PHE 34 HD1 PHE 34 -3.091 6.624 9.438 264 HD2 PHE 34 HD2 PHE 34 -3.417 2.612 8.105 265 HE1 PHE 34 HE1 PHE 34 -2.800 7.376 7.127 266 HE2 PHE 34 HE2 PHE 34 -3.135 3.362 5.795 267 HZ PHE 34 HZ PHE 34 -2.866 5.777 5.306 268 HA PRO 35 HA PRO 35 -5.436 8.602 11.946 269 HB2 PRO 35 HB2 PRO 35 -2.932 9.588 12.612 270 HB3 PRO 35 HB1 PRO 35 -4.096 8.992 13.799 271 HG2 PRO 35 HG2 PRO 35 -1.746 7.614 12.583 272 HG3 PRO 35 HG1 PRO 35 -2.321 7.581 14.261 273 HD2 PRO 35 HD2 PRO 35 -2.776 5.566 12.555 274 HD3 PRO 35 HD1 PRO 35 -3.964 6.026 13.788 275 H LEU 36 HN LEU 36 -5.684 9.501 9.999 276 HA LEU 36 HA LEU 36 -3.949 8.872 7.817 277 HB2 LEU 36 HB2 LEU 36 -6.240 10.790 7.911 278 HB3 LEU 36 HB1 LEU 36 -5.454 10.256 6.446 279 HG LEU 36 HG LEU 36 -7.177 8.613 8.304 280 HD11 LEU 36 HD11 LEU 36 -7.397 9.300 5.408 281 HD12 LEU 36 HD12 LEU 36 -8.368 10.021 6.705 282 HD13 LEU 36 HD13 LEU 36 -8.531 8.298 6.306 283 HD21 LEU 36 HD21 LEU 36 -5.603 7.668 5.913 284 HD22 LEU 36 HD22 LEU 36 -6.802 6.728 6.796 285 HD23 LEU 36 HD23 LEU 36 -5.312 7.224 7.595 286 H GLU 37 HN GLU 37 -3.740 11.181 10.116 287 HA GLU 37 HA GLU 37 -2.412 12.879 10.541 288 HB2 GLU 37 HB2 GLU 37 -0.902 12.049 8.048 289 HB3 GLU 37 HB1 GLU 37 -0.301 13.159 9.274 290 HG2 GLU 37 HG2 GLU 37 -0.499 11.318 10.960 291 HG3 GLU 37 HG1 GLU 37 -1.003 10.275 9.650 292 H ASP 38 HN ASP 38 -2.289 13.216 7.048 293 HA ASP 38 HA ASP 38 -4.168 15.402 7.078 294 HB2 ASP 38 HB2 ASP 38 -2.224 16.647 7.838 295 HB3 ASP 38 HB1 ASP 38 -1.268 16.018 6.499 296 H VAL 39 HN VAL 39 -1.436 14.218 5.163 297 HA VAL 39 HA VAL 39 -2.614 14.893 2.702 298 HB VAL 39 HB VAL 39 -0.425 12.847 3.169 299 HG11 VAL 39 HG11 VAL 39 -1.362 12.784 0.918 300 HG12 VAL 39 HG12 VAL 39 0.280 13.425 0.903 301 HG13 VAL 39 HG13 VAL 39 -1.096 14.519 0.760 302 HG21 VAL 39 HG21 VAL 39 0.130 14.972 4.236 303 HG22 VAL 39 HG22 VAL 39 -0.206 15.825 2.729 304 HG23 VAL 39 HG23 VAL 39 1.146 14.698 2.820 305 H LEU 40 HN LEU 40 -2.882 12.015 4.649 306 HA LEU 40 HA LEU 40 -4.066 10.510 2.523 307 HB2 LEU 40 HB2 LEU 40 -3.605 10.005 5.402 308 HB3 LEU 40 HB1 LEU 40 -4.692 8.937 4.519 309 HG LEU 40 HG LEU 40 -2.519 7.931 4.723 310 HD11 LEU 40 HD11 LEU 40 -3.696 7.502 2.692 311 HD12 LEU 40 HD12 LEU 40 -1.952 7.512 2.429 312 HD13 LEU 40 HD13 LEU 40 -2.925 8.888 1.919 313 HD21 LEU 40 HD21 LEU 40 -0.488 8.945 3.792 314 HD22 LEU 40 HD22 LEU 40 -1.167 9.919 5.093 315 HD23 LEU 40 HD23 LEU 40 -1.404 10.409 3.412 316 H GLN 41 HN GLN 41 -5.213 12.984 4.379 317 HA GLN 41 HA GLN 41 -7.957 12.056 4.461 318 HB2 GLN 41 HB2 GLN 41 -6.815 14.829 4.938 319 HB3 GLN 41 HB1 GLN 41 -8.465 14.337 5.280 320 HG2 GLN 41 HG2 GLN 41 -7.614 12.724 6.934 321 HG3 GLN 41 HG1 GLN 41 -5.980 13.285 6.608 322 HE21 GLN 41 HE21 GLN 41 -6.841 16.135 6.383 323 HE22 GLN 41 HE22 GLN 41 -7.172 16.606 7.995 324 H LYS 42 HN LYS 42 -5.851 13.064 2.231 325 HA LYS 42 HA LYS 42 -7.812 14.261 0.435 326 HB2 LYS 42 HB2 LYS 42 -5.864 15.650 0.747 327 HB3 LYS 42 HB1 LYS 42 -4.782 14.290 0.584 328 HG2 LYS 42 HG2 LYS 42 -4.709 15.813 -1.337 329 HG3 LYS 42 HG1 LYS 42 -5.206 14.175 -1.767 330 HD2 LYS 42 HD2 LYS 42 -7.571 14.945 -1.715 331 HD3 LYS 42 HD1 LYS 42 -6.981 16.594 -1.467 332 HE2 LYS 42 HE2 LYS 42 -7.520 16.039 -3.827 333 HE3 LYS 42 HE1 LYS 42 -5.839 16.558 -3.588 334 HZ1 LYS 42 HZ1 LYS 42 -6.014 14.662 -5.057 335 HZ2 LYS 42 HZ2 LYS 42 -6.824 13.773 -3.892 336 HZ3 LYS 42 HZ3 LYS 42 -5.204 14.209 -3.658 337 H THR 43 HN THR 43 -7.324 11.337 1.259 338 HA THR 43 HA THR 43 -6.605 10.268 -1.338 339 HB THR 43 HB THR 43 -6.914 8.747 1.267 340 HG1 THR 43 HG1 THR 43 -5.184 10.509 0.651 341 HG21 THR 43 HG21 THR 43 -7.105 7.375 -0.794 342 HG22 THR 43 HG22 THR 43 -5.600 7.033 0.070 343 HG23 THR 43 HG23 THR 43 -5.586 8.067 -1.363 344 HA PRO 44 HA PRO 44 -11.110 9.926 -1.995 345 HB2 PRO 44 HB2 PRO 44 -10.848 8.948 -4.536 346 HB3 PRO 44 HB1 PRO 44 -10.730 10.669 -4.142 347 HG2 PRO 44 HG2 PRO 44 -8.513 8.646 -4.393 348 HG3 PRO 44 HG1 PRO 44 -8.597 10.209 -5.207 349 HD2 PRO 44 HD2 PRO 44 -7.142 10.075 -3.110 350 HD3 PRO 44 HD1 PRO 44 -8.322 11.370 -3.176 351 H TRP 45 HN TRP 45 -11.723 8.230 -0.676 352 HA TRP 45 HA TRP 45 -10.924 5.537 -0.877 353 HB2 TRP 45 HB2 TRP 45 -11.957 6.276 1.155 354 HB3 TRP 45 HB1 TRP 45 -13.397 6.807 0.306 355 HD1 TRP 45 HD1 TRP 45 -15.066 4.869 -0.527 356 HE1 TRP 45 HE1 TRP 45 -15.596 2.545 0.449 357 HE3 TRP 45 HE3 TRP 45 -10.889 4.226 2.294 358 HZ2 TRP 45 HZ2 TRP 45 -14.385 0.681 2.162 359 HZ3 TRP 45 HZ3 TRP 45 -10.639 2.141 3.565 360 HH2 TRP 45 HH2 TRP 45 -12.349 0.405 3.503 361 H SER 46 HN SER 46 -13.434 7.267 -2.636 362 HA SER 46 HA SER 46 -14.845 5.047 -3.574 363 HB2 SER 46 HB2 SER 46 -15.624 7.382 -3.878 364 HB3 SER 46 HB1 SER 46 -14.336 7.645 -5.051 365 HG SER 46 HG SER 46 -15.298 5.931 -6.291 366 H GLU 47 HN GLU 47 -11.907 6.582 -4.815 367 HA GLU 47 HA GLU 47 -11.732 4.825 -7.021 368 HB2 GLU 47 HB2 GLU 47 -9.645 6.582 -5.757 369 HB3 GLU 47 HB1 GLU 47 -9.377 5.635 -7.211 370 HG2 GLU 47 HG2 GLU 47 -11.315 6.855 -8.238 371 HG3 GLU 47 HG1 GLU 47 -11.284 7.921 -6.836 372 H VAL 48 HN VAL 48 -10.400 4.844 -3.759 373 HA VAL 48 HA VAL 48 -8.625 2.685 -4.156 374 HB VAL 48 HB VAL 48 -8.177 2.655 -1.885 375 HG11 VAL 48 HG11 VAL 48 -8.227 4.878 -0.941 376 HG12 VAL 48 HG12 VAL 48 -9.229 5.373 -2.307 377 HG13 VAL 48 HG13 VAL 48 -7.593 4.763 -2.587 378 HG21 VAL 48 HG21 VAL 48 -9.700 3.328 -0.041 379 HG22 VAL 48 HG22 VAL 48 -10.262 1.938 -0.964 380 HG23 VAL 48 HG23 VAL 48 -10.993 3.514 -1.235 381 H GLU 49 HN GLU 49 -11.983 2.896 -3.483 382 HA GLU 49 HA GLU 49 -12.522 0.310 -2.552 383 HB2 GLU 49 HB2 GLU 49 -13.934 2.633 -3.035 384 HB3 GLU 49 HB1 GLU 49 -14.684 1.388 -4.039 385 HG2 GLU 49 HG2 GLU 49 -13.946 1.080 -1.238 386 HG3 GLU 49 HG1 GLU 49 -15.588 1.546 -1.725 387 H GLU 50 HN GLU 50 -12.896 1.780 -5.721 388 HA GLU 50 HA GLU 50 -13.706 -0.704 -6.638 389 HB2 GLU 50 HB2 GLU 50 -13.336 1.886 -8.104 390 HB3 GLU 50 HB1 GLU 50 -13.946 0.433 -8.888 391 HG2 GLU 50 HG2 GLU 50 -15.826 0.361 -7.383 392 HG3 GLU 50 HG1 GLU 50 -15.199 1.749 -6.491 393 H ALA 51 HN ALA 51 -10.799 0.555 -6.091 394 HA ALA 51 HA ALA 51 -9.280 -0.521 -8.351 395 HB1 ALA 51 HB1 ALA 51 -8.605 1.617 -7.427 396 HB2 ALA 51 HB2 ALA 51 -7.373 0.383 -7.122 397 HB3 ALA 51 HB3 ALA 51 -8.460 0.888 -5.833 398 H ASP 52 HN ASP 52 -7.945 -2.171 -8.198 399 HA ASP 52 HA ASP 52 -7.763 -3.580 -5.689 400 HB2 ASP 52 HB2 ASP 52 -7.960 -5.727 -6.871 401 HB3 ASP 52 HB1 ASP 52 -9.454 -4.811 -6.955 402 H GLY 53 HN GLY 53 -5.889 -4.777 -5.517 403 HA2 GLY 53 HA2 GLY 53 -3.638 -5.090 -5.667 404 HA3 GLY 53 HA1 GLY 53 -4.036 -5.402 -7.350 405 H LYS 54 HN LYS 54 -3.305 -4.096 -8.879 406 HA LYS 54 HA LYS 54 -1.140 -2.379 -8.262 407 HB2 LYS 54 HB2 LYS 54 -1.642 -3.633 -10.493 408 HB3 LYS 54 HB1 LYS 54 -2.550 -2.168 -10.884 409 HG2 LYS 54 HG2 LYS 54 -0.112 -1.301 -9.822 410 HG3 LYS 54 HG1 LYS 54 0.263 -2.634 -10.872 411 HD2 LYS 54 HD2 LYS 54 0.491 -0.693 -12.184 412 HD3 LYS 54 HD1 LYS 54 -1.033 -1.423 -12.677 413 HE2 LYS 54 HE2 LYS 54 -2.297 0.212 -11.575 414 HE3 LYS 54 HE1 LYS 54 -0.938 0.695 -10.559 415 HZ1 LYS 54 HZ1 LYS 54 0.128 1.678 -12.415 416 HZ2 LYS 54 HZ2 LYS 54 -1.446 2.298 -12.344 417 HZ3 LYS 54 HZ3 LYS 54 -1.053 1.126 -13.496 418 H LYS 55 HN LYS 55 -4.468 -1.839 -9.151 419 HA LYS 55 HA LYS 55 -4.097 0.812 -9.665 420 HB2 LYS 55 HB2 LYS 55 -6.502 -0.822 -9.172 421 HB3 LYS 55 HB1 LYS 55 -6.710 0.908 -8.984 422 HG2 LYS 55 HG2 LYS 55 -5.663 -0.454 -11.443 423 HG3 LYS 55 HG1 LYS 55 -7.339 0.058 -11.181 424 HD2 LYS 55 HD2 LYS 55 -4.916 1.898 -11.245 425 HD3 LYS 55 HD1 LYS 55 -6.066 1.678 -12.558 426 HE2 LYS 55 HE2 LYS 55 -7.870 2.559 -11.116 427 HE3 LYS 55 HE1 LYS 55 -6.705 2.789 -9.816 428 HZ1 LYS 55 HZ1 LYS 55 -6.643 4.169 -12.450 429 HZ2 LYS 55 HZ2 LYS 55 -5.512 4.380 -11.231 430 HZ3 LYS 55 HZ3 LYS 55 -7.097 4.861 -10.988 431 H LEU 56 HN LEU 56 -4.850 -0.920 -6.748 432 HA LEU 56 HA LEU 56 -5.511 1.338 -5.191 433 HB2 LEU 56 HB2 LEU 56 -6.130 -1.030 -4.622 434 HB3 LEU 56 HB1 LEU 56 -4.460 -1.319 -4.278 435 HG LEU 56 HG LEU 56 -4.454 0.253 -2.422 436 HD11 LEU 56 HD11 LEU 56 -6.050 1.881 -3.248 437 HD12 LEU 56 HD12 LEU 56 -6.520 1.299 -1.652 438 HD13 LEU 56 HD13 LEU 56 -7.354 0.700 -3.087 439 HD21 LEU 56 HD21 LEU 56 -6.773 -1.656 -2.303 440 HD22 LEU 56 HD22 LEU 56 -5.994 -0.896 -0.918 441 HD23 LEU 56 HD23 LEU 56 -5.086 -2.019 -1.928 442 H ALA 57 HN ALA 57 -2.543 -0.493 -5.699 443 HA ALA 57 HA ALA 57 -0.793 0.868 -3.981 444 HB1 ALA 57 HB1 ALA 57 -0.240 -0.333 -6.694 445 HB2 ALA 57 HB2 ALA 57 -0.188 -1.190 -5.156 446 HB3 ALA 57 HB3 ALA 57 0.981 0.086 -5.500 447 H GLU 58 HN GLU 58 -1.982 1.623 -7.162 448 HA GLU 58 HA GLU 58 -0.267 3.771 -7.848 449 HB2 GLU 58 HB2 GLU 58 -1.620 2.438 -9.444 450 HB3 GLU 58 HB1 GLU 58 -3.079 3.134 -8.766 451 HG2 GLU 58 HG2 GLU 58 -2.220 5.370 -9.465 452 HG3 GLU 58 HG1 GLU 58 -0.939 4.525 -10.336 453 H ILE 59 HN ILE 59 -3.229 3.509 -6.013 454 HA ILE 59 HA ILE 59 -3.660 6.335 -5.967 455 HB ILE 59 HB ILE 59 -5.038 4.095 -4.435 456 HG12 ILE 59 HG12 ILE 59 -6.127 5.657 -6.744 457 HG13 ILE 59 HG11 ILE 59 -5.084 4.261 -7.025 458 HG21 ILE 59 HG21 ILE 59 -5.777 7.012 -4.811 459 HG22 ILE 59 HG22 ILE 59 -5.355 6.243 -3.277 460 HG23 ILE 59 HG23 ILE 59 -6.841 5.796 -4.121 461 HD11 ILE 59 HD11 ILE 59 -7.708 4.284 -5.552 462 HD12 ILE 59 HD12 ILE 59 -6.645 2.887 -5.843 463 HD13 ILE 59 HD13 ILE 59 -7.407 3.689 -7.195 464 H LEU 60 HN LEU 60 -2.079 3.955 -3.970 465 HA LEU 60 HA LEU 60 -1.730 5.562 -1.687 466 HB2 LEU 60 HB2 LEU 60 -0.224 3.201 -2.749 467 HB3 LEU 60 HB1 LEU 60 0.535 4.162 -1.510 468 HG LEU 60 HG LEU 60 -0.490 2.237 -0.515 469 HD11 LEU 60 HD11 LEU 60 -0.507 4.248 0.806 470 HD12 LEU 60 HD12 LEU 60 -1.913 3.250 1.157 471 HD13 LEU 60 HD13 LEU 60 -2.089 4.689 0.159 472 HD21 LEU 60 HD21 LEU 60 -2.925 1.865 -0.556 473 HD22 LEU 60 HD22 LEU 60 -2.195 1.712 -2.150 474 HD23 LEU 60 HD23 LEU 60 -3.081 3.182 -1.722 475 H VAL 61 HN VAL 61 0.132 5.327 -4.684 476 HA VAL 61 HA VAL 61 2.084 7.244 -3.754 477 HB VAL 61 HB VAL 61 3.111 7.125 -5.942 478 HG11 VAL 61 HG11 VAL 61 2.257 4.399 -5.021 479 HG12 VAL 61 HG12 VAL 61 3.645 5.321 -4.449 480 HG13 VAL 61 HG13 VAL 61 3.598 4.733 -6.113 481 HG21 VAL 61 HG21 VAL 61 1.101 7.125 -7.310 482 HG22 VAL 61 HG22 VAL 61 0.752 5.467 -6.819 483 HG23 VAL 61 HG23 VAL 61 2.188 5.816 -7.790 484 H ASN 62 HN ASN 62 -0.990 7.608 -4.597 485 HA ASN 62 HA ASN 62 -0.705 9.966 -6.224 486 HB2 ASN 62 HB2 ASN 62 -2.651 8.463 -6.593 487 HB3 ASN 62 HB1 ASN 62 -3.222 8.754 -4.964 488 HD21 ASN 62 HD21 ASN 62 -5.173 9.414 -5.758 489 HD22 ASN 62 HD22 ASN 62 -5.405 10.949 -6.495 490 H THR 63 HN THR 63 -1.198 9.100 -2.873 491 HA THR 63 HA THR 63 -1.245 11.936 -2.194 492 HB THR 63 HB THR 63 -2.226 10.963 0.083 493 HG1 THR 63 HG1 THR 63 -3.407 9.072 -0.317 494 HG21 THR 63 HG21 THR 63 -3.424 12.422 -1.528 495 HG22 THR 63 HG22 THR 63 -4.467 11.162 -0.871 496 HG23 THR 63 HG23 THR 63 -3.808 11.000 -2.499 497 H SER 64 HN SER 64 0.069 8.817 -1.082 498 HA SER 64 HA SER 64 1.576 10.210 0.935 499 HB2 SER 64 HB2 SER 64 1.511 7.307 0.217 500 HB3 SER 64 HB1 SER 64 2.115 8.027 1.715 501 HG SER 64 HG SER 64 -0.418 8.761 1.038 502 H SER 65 HN SER 65 3.742 10.440 0.996 503 HA SER 65 HA SER 65 5.394 10.153 -1.298 504 HB2 SER 65 HB2 SER 65 5.947 11.826 0.383 505 HB3 SER 65 HB1 SER 65 5.987 10.600 1.644 506 HG SER 65 HG SER 65 7.968 11.373 -0.043 507 H GLU 66 HN GLU 66 7.081 8.532 -1.589 508 HA GLU 66 HA GLU 66 6.266 5.967 -0.772 509 HB2 GLU 66 HB2 GLU 66 8.149 5.101 -1.971 510 HB3 GLU 66 HB1 GLU 66 7.461 6.435 -2.877 511 HG2 GLU 66 HG2 GLU 66 9.940 6.610 -1.178 512 HG3 GLU 66 HG1 GLU 66 9.945 6.341 -2.914 513 H ASN 67 HN ASN 67 8.306 8.318 0.599 514 HA ASN 67 HA ASN 67 9.803 6.608 2.326 515 HB2 ASN 67 HB2 ASN 67 10.573 8.867 1.649 516 HB3 ASN 67 HB1 ASN 67 9.226 9.582 2.512 517 HD21 ASN 67 HD21 ASN 67 12.203 7.803 2.869 518 HD22 ASN 67 HD22 ASN 67 12.539 8.314 4.486 519 H TRP 68 HN TRP 68 6.635 7.693 2.282 520 HA TRP 68 HA TRP 68 6.229 7.097 5.114 521 HB2 TRP 68 HB2 TRP 68 5.319 9.235 4.134 522 HB3 TRP 68 HB1 TRP 68 4.307 8.263 3.081 523 HD1 TRP 68 HD1 TRP 68 4.566 9.555 6.625 524 HE1 TRP 68 HE1 TRP 68 2.320 9.027 7.872 525 HE3 TRP 68 HE3 TRP 68 2.372 6.482 3.191 526 HZ2 TRP 68 HZ2 TRP 68 0.047 7.547 7.449 527 HZ3 TRP 68 HZ3 TRP 68 0.166 5.561 3.698 528 HH2 TRP 68 HH2 TRP 68 -0.960 6.081 5.782 529 H ILE 69 HN ILE 69 5.157 6.277 1.812 530 HA ILE 69 HA ILE 69 3.299 4.270 2.374 531 HB ILE 69 HB ILE 69 5.146 4.312 -0.039 532 HG12 ILE 69 HG12 ILE 69 2.375 5.446 0.259 533 HG13 ILE 69 HG11 ILE 69 3.848 6.415 0.275 534 HG21 ILE 69 HG21 ILE 69 4.001 2.172 0.257 535 HG22 ILE 69 HG22 ILE 69 3.352 3.036 -1.140 536 HG23 ILE 69 HG23 ILE 69 2.451 3.007 0.374 537 HD11 ILE 69 HD11 ILE 69 2.768 6.506 -1.882 538 HD12 ILE 69 HD12 ILE 69 2.829 4.748 -2.013 539 HD13 ILE 69 HD13 ILE 69 4.325 5.686 -2.018 540 H ARG 70 HN ARG 70 6.805 4.081 2.074 541 HA ARG 70 HA ARG 70 7.254 1.376 2.025 542 HB2 ARG 70 HB2 ARG 70 9.394 1.851 3.241 543 HB3 ARG 70 HB1 ARG 70 9.105 2.884 1.848 544 HG2 ARG 70 HG2 ARG 70 8.601 4.735 3.177 545 HG3 ARG 70 HG1 ARG 70 8.394 3.746 4.619 546 HD2 ARG 70 HD2 ARG 70 10.999 4.040 3.160 547 HD3 ARG 70 HD1 ARG 70 10.520 5.066 4.518 548 HE ARG 70 HE ARG 70 10.677 2.138 4.746 549 HH11 ARG 70 HH11 ARG 70 11.492 5.382 6.004 550 HH12 ARG 70 HH12 ARG 70 12.171 4.773 7.418 551 HH21 ARG 70 HH21 ARG 70 11.647 1.362 6.736 552 HH22 ARG 70 HH22 ARG 70 12.308 2.474 7.839 553 H ASN 71 HN ASN 71 6.316 3.328 4.790 554 HA ASN 71 HA ASN 71 6.652 1.070 6.575 555 HB2 ASN 71 HB2 ASN 71 7.279 3.307 7.390 556 HB3 ASN 71 HB1 ASN 71 5.636 3.873 7.118 557 HD21 ASN 71 HD21 ASN 71 4.060 3.396 8.634 558 HD22 ASN 71 HD22 ASN 71 4.397 2.635 10.134 559 H ALA 72 HN ALA 72 4.140 2.993 5.105 560 HA ALA 72 HA ALA 72 1.905 2.036 6.428 561 HB1 ALA 72 HB1 ALA 72 0.610 2.826 4.559 562 HB2 ALA 72 HB2 ALA 72 2.054 2.875 3.551 563 HB3 ALA 72 HB3 ALA 72 1.904 3.968 4.927 564 H THR 73 HN THR 73 3.305 0.827 3.382 565 HA THR 73 HA THR 73 1.329 -1.296 3.147 566 HB THR 73 HB THR 73 2.404 -0.102 1.207 567 HG1 THR 73 HG1 THR 73 2.555 -2.933 1.426 568 HG21 THR 73 HG21 THR 73 4.798 -1.801 1.937 569 HG22 THR 73 HG22 THR 73 4.713 -0.042 1.985 570 HG23 THR 73 HG23 THR 73 4.630 -0.887 0.438 571 H VAL 74 HN VAL 74 3.872 -0.976 5.051 572 HA VAL 74 HA VAL 74 4.183 -3.869 5.185 573 HB VAL 74 HB VAL 74 5.753 -1.667 6.599 574 HG11 VAL 74 HG11 VAL 74 7.127 -3.460 7.579 575 HG12 VAL 74 HG12 VAL 74 6.031 -4.666 6.894 576 HG13 VAL 74 HG13 VAL 74 5.458 -3.559 8.140 577 HG21 VAL 74 HG21 VAL 74 6.519 -3.758 4.565 578 HG22 VAL 74 HG22 VAL 74 7.650 -2.677 5.357 579 HG23 VAL 74 HG23 VAL 74 6.401 -2.017 4.293 580 H ASN 75 HN ASN 75 3.422 -1.072 7.176 581 HA ASN 75 HA ASN 75 2.514 -2.220 9.514 582 HB2 ASN 75 HB2 ASN 75 2.820 0.177 9.252 583 HB3 ASN 75 HB1 ASN 75 1.511 0.246 8.095 584 HD21 ASN 75 HD21 ASN 75 2.303 -0.128 11.462 585 HD22 ASN 75 HD22 ASN 75 0.738 0.200 12.088 586 H ILE 76 HN ILE 76 0.549 -1.515 6.648 587 HA ILE 76 HA ILE 76 -1.940 -2.423 7.710 588 HB ILE 76 HB ILE 76 -1.170 -2.763 4.799 589 HG12 ILE 76 HG12 ILE 76 -0.650 -0.444 5.552 590 HG13 ILE 76 HG11 ILE 76 -1.912 -0.522 4.324 591 HG21 ILE 76 HG21 ILE 76 -3.281 -3.772 5.529 592 HG22 ILE 76 HG22 ILE 76 -3.546 -2.447 4.396 593 HG23 ILE 76 HG23 ILE 76 -3.815 -2.198 6.120 594 HD11 ILE 76 HD11 ILE 76 -2.297 1.110 6.037 595 HD12 ILE 76 HD12 ILE 76 -2.326 -0.178 7.270 596 HD13 ILE 76 HD13 ILE 76 -3.570 -0.115 5.994 597 H LEU 77 HN LEU 77 0.668 -4.099 6.089 598 HA LEU 77 HA LEU 77 -0.746 -6.554 5.905 599 HB2 LEU 77 HB2 LEU 77 2.122 -5.791 5.365 600 HB3 LEU 77 HB1 LEU 77 1.579 -7.450 5.264 601 HG LEU 77 HG LEU 77 -0.037 -6.753 3.438 602 HD11 LEU 77 HD11 LEU 77 -0.418 -4.513 3.953 603 HD12 LEU 77 HD12 LEU 77 0.187 -4.689 2.304 604 HD13 LEU 77 HD13 LEU 77 1.255 -4.097 3.576 605 HD21 LEU 77 HD21 LEU 77 1.630 -6.504 1.692 606 HD22 LEU 77 HD22 LEU 77 2.136 -7.714 2.874 607 HD23 LEU 77 HD23 LEU 77 2.849 -6.104 2.899 608 H GLU 78 HN GLU 78 1.636 -5.190 8.056 609 HA GLU 78 HA GLU 78 2.041 -7.322 9.829 610 HB2 GLU 78 HB2 GLU 78 1.787 -4.369 10.418 611 HB3 GLU 78 HB1 GLU 78 2.510 -5.515 11.519 612 HG2 GLU 78 HG2 GLU 78 3.536 -4.835 8.782 613 HG3 GLU 78 HG1 GLU 78 4.116 -4.128 10.279 614 H GLU 79 HN GLU 79 -0.425 -4.794 9.718 615 HA GLU 79 HA GLU 79 -1.958 -5.524 11.932 616 HB2 GLU 79 HB2 GLU 79 -2.623 -4.101 9.411 617 HB3 GLU 79 HB1 GLU 79 -3.830 -4.282 10.670 618 HG2 GLU 79 HG2 GLU 79 -1.171 -2.881 10.926 619 HG3 GLU 79 HG1 GLU 79 -2.725 -2.088 10.712 620 H MET 80 HN MET 80 -1.887 -6.855 8.685 621 HA MET 80 HA MET 80 -4.296 -8.402 9.183 622 HB2 MET 80 HB2 MET 80 -2.540 -8.104 6.743 623 HB3 MET 80 HB1 MET 80 -3.820 -9.305 6.831 624 HG2 MET 80 HG2 MET 80 -5.458 -7.504 7.179 625 HG3 MET 80 HG1 MET 80 -4.161 -6.322 7.073 626 HE1 MET 80 HE1 MET 80 -2.371 -7.257 4.717 627 HE2 MET 80 HE2 MET 80 -2.972 -5.610 4.865 628 HE3 MET 80 HE3 MET 80 -3.129 -6.473 3.334 629 H ASN 81 HN ASN 81 -1.166 -8.613 9.983 630 HA ASN 81 HA ASN 81 0.193 -10.155 10.832 631 HB2 ASN 81 HB2 ASN 81 -1.923 -10.860 12.069 632 HB3 ASN 81 HB1 ASN 81 -2.199 -12.029 10.802 633 HD21 ASN 81 HD21 ASN 81 -1.327 -13.886 10.999 634 HD22 ASN 81 HD22 ASN 81 -0.213 -14.430 12.196 635 H LEU 82 HN LEU 82 0.042 -9.761 8.126 636 HA LEU 82 HA LEU 82 0.391 -12.298 6.775 637 HB2 LEU 82 HB2 LEU 82 0.575 -9.424 5.972 638 HB3 LEU 82 HB1 LEU 82 0.966 -10.728 4.843 639 HG LEU 82 HG LEU 82 -1.697 -10.043 6.097 640 HD11 LEU 82 HD11 LEU 82 -0.948 -8.576 4.293 641 HD12 LEU 82 HD12 LEU 82 -2.361 -9.519 3.827 642 HD13 LEU 82 HD13 LEU 82 -0.765 -9.965 3.230 643 HD21 LEU 82 HD21 LEU 82 -0.969 -12.311 4.241 644 HD22 LEU 82 HD22 LEU 82 -2.615 -11.821 4.641 645 HD23 LEU 82 HD23 LEU 82 -1.551 -12.443 5.903 646 H THR 83 HN THR 83 2.347 -13.303 6.834 647 HA THR 83 HA THR 83 4.734 -11.693 7.325 648 HB THR 83 HB THR 83 5.730 -14.065 7.391 649 HG1 THR 83 HG1 THR 83 4.154 -15.637 8.019 650 HG21 THR 83 HG21 THR 83 5.104 -14.329 9.766 651 HG22 THR 83 HG22 THR 83 3.844 -13.098 9.560 652 HG23 THR 83 HG23 THR 83 5.552 -12.674 9.362 653 H GLU 84 HN GLU 84 4.029 -14.502 5.370 654 HA GLU 84 HA GLU 84 6.066 -14.673 3.723 655 HB2 GLU 84 HB2 GLU 84 4.476 -15.508 1.952 656 HB3 GLU 84 HB1 GLU 84 4.388 -16.276 3.528 657 HG2 GLU 84 HG2 GLU 84 2.427 -14.776 4.029 658 HG3 GLU 84 HG1 GLU 84 2.494 -14.249 2.358 659 H LEU 85 HN LEU 85 3.349 -12.725 2.506 660 HA LEU 85 HA LEU 85 5.036 -11.619 0.480 661 HB2 LEU 85 HB2 LEU 85 3.143 -10.271 -0.238 662 HB3 LEU 85 HB1 LEU 85 2.705 -11.950 -0.067 663 HG LEU 85 HG LEU 85 2.030 -9.868 2.015 664 HD11 LEU 85 HD11 LEU 85 -0.176 -9.796 1.021 665 HD12 LEU 85 HD12 LEU 85 0.353 -10.864 -0.282 666 HD13 LEU 85 HD13 LEU 85 1.041 -9.242 -0.128 667 HD21 LEU 85 HD21 LEU 85 0.982 -12.649 1.443 668 HD22 LEU 85 HD22 LEU 85 0.224 -11.519 2.544 669 HD23 LEU 85 HD23 LEU 85 1.842 -12.112 2.894 670 H CYS 86 HN CYS 86 4.074 -10.568 3.637 671 HA CYS 86 HA CYS 86 4.661 -7.812 3.305 672 HB2 CYS 86 HB2 CYS 86 3.359 -8.850 5.249 673 HB3 CYS 86 HB1 CYS 86 4.899 -9.465 5.771 674 HG CYS 86 HG CYS 86 4.528 -7.326 7.481 675 H LYS 87 HN LYS 87 6.527 -10.639 4.113 676 HA LYS 87 HA LYS 87 8.927 -9.383 4.851 677 HB2 LYS 87 HB2 LYS 87 8.416 -12.101 3.669 678 HB3 LYS 87 HB1 LYS 87 9.955 -11.576 4.356 679 HG2 LYS 87 HG2 LYS 87 9.033 -11.373 6.519 680 HG3 LYS 87 HG1 LYS 87 7.385 -11.520 5.909 681 HD2 LYS 87 HD2 LYS 87 8.037 -13.577 6.961 682 HD3 LYS 87 HD1 LYS 87 7.892 -13.832 5.226 683 HE2 LYS 87 HE2 LYS 87 9.823 -14.940 5.999 684 HE3 LYS 87 HE1 LYS 87 10.319 -13.523 5.039 685 HZ1 LYS 87 HZ1 LYS 87 10.827 -12.348 7.049 686 HZ2 LYS 87 HZ2 LYS 87 11.632 -13.809 7.076 687 HZ3 LYS 87 HZ3 LYS 87 10.237 -13.604 8.006 688 H MET 88 HN MET 88 7.497 -9.985 1.782 689 HA MET 88 HA MET 88 9.842 -9.555 0.219 690 HB2 MET 88 HB2 MET 88 6.913 -9.212 -0.468 691 HB3 MET 88 HB1 MET 88 8.220 -9.137 -1.635 692 HG2 MET 88 HG2 MET 88 8.751 -11.479 -1.190 693 HG3 MET 88 HG1 MET 88 7.478 -11.531 0.030 694 HE1 MET 88 HE1 MET 88 6.032 -13.732 -2.881 695 HE2 MET 88 HE2 MET 88 6.422 -13.672 -1.161 696 HE3 MET 88 HE3 MET 88 7.714 -13.611 -2.360 697 H ALA 89 HN ALA 89 7.296 -7.611 1.590 698 HA ALA 89 HA ALA 89 8.062 -5.180 0.337 699 HB1 ALA 89 HB1 ALA 89 6.449 -5.595 2.853 700 HB2 ALA 89 HB2 ALA 89 5.803 -5.599 1.220 701 HB3 ALA 89 HB3 ALA 89 6.507 -4.116 1.886 702 H LYS 90 HN LYS 90 8.671 -6.721 3.428 703 HA LYS 90 HA LYS 90 10.182 -4.821 4.814 704 HB2 LYS 90 HB2 LYS 90 10.810 -7.783 4.615 705 HB3 LYS 90 HB1 LYS 90 11.341 -6.700 5.882 706 HG2 LYS 90 HG2 LYS 90 8.452 -7.325 5.386 707 HG3 LYS 90 HG1 LYS 90 9.494 -8.309 6.415 708 HD2 LYS 90 HD2 LYS 90 9.910 -6.354 7.823 709 HD3 LYS 90 HD1 LYS 90 8.828 -5.412 6.777 710 HE2 LYS 90 HE2 LYS 90 6.951 -6.625 7.404 711 HE3 LYS 90 HE1 LYS 90 7.905 -7.972 8.007 712 HZ1 LYS 90 HZ1 LYS 90 8.543 -6.704 9.888 713 HZ2 LYS 90 HZ2 LYS 90 6.861 -6.549 9.770 714 HZ3 LYS 90 HZ3 LYS 90 7.861 -5.296 9.284 715 H ALA 91 HN ALA 91 11.103 -7.164 2.384 716 HA ALA 91 HA ALA 91 13.838 -6.432 2.397 717 HB1 ALA 91 HB1 ALA 91 13.027 -8.722 1.941 718 HB2 ALA 91 HB2 ALA 91 14.101 -8.099 0.691 719 HB3 ALA 91 HB3 ALA 91 12.356 -8.140 0.422 720 H GLU 92 HN GLU 92 11.248 -5.872 0.179 721 HA GLU 92 HA GLU 92 13.057 -4.479 -1.584 722 HB2 GLU 92 HB2 GLU 92 10.226 -5.164 -1.720 723 HB3 GLU 92 HB1 GLU 92 11.038 -4.399 -3.105 724 HG2 GLU 92 HG2 GLU 92 12.634 -6.545 -2.602 725 HG3 GLU 92 HG1 GLU 92 11.116 -7.138 -1.972 726 H MET 93 HN MET 93 10.080 -3.525 0.210 727 HA MET 93 HA MET 93 10.469 -0.834 -0.791 728 HB2 MET 93 HB2 MET 93 8.114 -2.065 0.651 729 HB3 MET 93 HB1 MET 93 8.308 -0.313 0.528 730 HG2 MET 93 HG2 MET 93 8.175 -2.296 -1.698 731 HG3 MET 93 HG1 MET 93 6.843 -1.298 -1.170 732 HE1 MET 93 HE1 MET 93 8.538 1.495 -0.596 733 HE2 MET 93 HE2 MET 93 6.942 1.445 -1.342 734 HE3 MET 93 HE3 MET 93 8.258 2.312 -2.134 735 H MET 94 HN MET 94 11.587 -2.428 1.798 736 HA MET 94 HA MET 94 11.655 0.019 3.343 737 HB2 MET 94 HB2 MET 94 12.465 -2.772 4.033 738 HB3 MET 94 HB1 MET 94 12.974 -1.403 5.017 739 HG2 MET 94 HG2 MET 94 10.155 -2.019 4.306 740 HG3 MET 94 HG1 MET 94 10.913 -2.538 5.831 741 HE1 MET 94 HE1 MET 94 8.253 -0.853 6.039 742 HE2 MET 94 HE2 MET 94 8.716 0.353 7.239 743 HE3 MET 94 HE3 MET 94 9.240 -1.320 7.423 744 H GLU 95 HN GLU 95 12.834 1.289 2.096 745 HA GLU 95 HA GLU 95 15.627 0.576 1.694 746 HB2 GLU 95 HB2 GLU 95 14.085 2.988 0.690 747 HB3 GLU 95 HB1 GLU 95 15.714 2.538 0.204 748 HG2 GLU 95 HG2 GLU 95 14.824 0.459 -0.754 749 HG3 GLU 95 HG1 GLU 95 13.198 0.976 -0.323 750 H ASP 96 HN ASP 96 14.111 1.435 4.049 751 HA ASP 96 HA ASP 96 14.274 2.566 6.020 752 HB2 ASP 96 HB2 ASP 96 16.471 1.364 5.783 753 HB3 ASP 96 HB1 ASP 96 17.200 2.894 5.324 754 H GLY 97 HN GLY 97 15.804 4.745 6.882 755 HA2 GLY 97 HA2 GLY 97 16.169 7.024 5.731 756 HA3 GLY 97 HA1 GLY 97 14.448 6.863 5.375 757 H GLN 98 HN GLN 98 16.481 6.197 8.179 758 HA GLN 98 HA GLN 98 14.428 7.232 9.959 759 HB2 GLN 98 HB2 GLN 98 17.149 6.110 10.632 760 HB3 GLN 98 HB1 GLN 98 15.813 6.378 11.738 761 HG2 GLN 98 HG2 GLN 98 14.538 4.650 10.674 762 HG3 GLN 98 HG1 GLN 98 15.806 4.415 9.465 763 HE21 GLN 98 HE21 GLN 98 16.246 2.349 9.973 764 HE22 GLN 98 HE22 GLN 98 16.920 1.846 11.485 Start of MODEL 7 1 H MET 3 HT1 MET 3 11.770 2.957 -1.956 2 HA MET 3 HA MET 3 12.592 5.044 -2.543 3 HB2 MET 3 HB2 MET 3 15.256 3.616 -2.645 4 HB3 MET 3 HB1 MET 3 14.982 5.152 -3.451 5 HG2 MET 3 HG2 MET 3 16.043 5.577 -1.355 6 HG3 MET 3 HG1 MET 3 14.386 6.157 -1.280 7 HE1 MET 3 HE1 MET 3 17.005 3.573 -0.046 8 HE2 MET 3 HE2 MET 3 15.891 2.494 -0.890 9 HE3 MET 3 HE3 MET 3 16.038 2.417 0.865 10 H THR 4 HN THR 4 14.167 5.078 -5.065 11 HA THR 4 HA THR 4 13.779 5.110 -7.068 12 HB THR 4 HB THR 4 13.111 3.175 -8.293 13 HG1 THR 4 HG1 THR 4 12.360 2.160 -5.800 14 HG21 THR 4 HG21 THR 4 15.423 3.309 -7.732 15 HG22 THR 4 HG22 THR 4 14.948 1.611 -7.612 16 HG23 THR 4 HG23 THR 4 15.125 2.590 -6.154 17 H SER 5 HN SER 5 11.946 4.675 -8.834 18 HA SER 5 HA SER 5 9.465 5.419 -7.517 19 HB2 SER 5 HB2 SER 5 10.448 7.380 -8.670 20 HB3 SER 5 HB1 SER 5 10.403 6.531 -10.205 21 HG SER 5 HG SER 5 8.137 6.467 -10.030 22 HA PRO 6 HA PRO 6 8.156 2.682 -11.294 23 HB2 PRO 6 HB2 PRO 6 10.695 1.340 -12.021 24 HB3 PRO 6 HB1 PRO 6 9.422 1.970 -13.069 25 HG2 PRO 6 HG2 PRO 6 11.733 3.236 -12.899 26 HG3 PRO 6 HG1 PRO 6 10.214 4.152 -12.936 27 HD2 PRO 6 HD2 PRO 6 11.913 3.409 -10.585 28 HD3 PRO 6 HD1 PRO 6 11.213 4.990 -10.999 29 H GLN 7 HN GLN 7 11.074 1.283 -9.749 30 HA GLN 7 HA GLN 7 9.820 -1.185 -9.286 31 HB2 GLN 7 HB2 GLN 7 12.269 -0.009 -8.015 32 HB3 GLN 7 HB1 GLN 7 11.669 -1.602 -7.585 33 HG2 GLN 7 HG2 GLN 7 13.415 -1.962 -9.124 34 HG3 GLN 7 HG1 GLN 7 11.929 -2.199 -10.031 35 HE21 GLN 7 HE21 GLN 7 11.428 -0.795 -11.692 36 HE22 GLN 7 HE22 GLN 7 12.545 0.362 -12.294 37 H LEU 8 HN LEU 8 9.975 1.714 -7.490 38 HA LEU 8 HA LEU 8 9.140 0.907 -4.947 39 HB2 LEU 8 HB2 LEU 8 9.993 3.160 -5.650 40 HB3 LEU 8 HB1 LEU 8 8.479 3.445 -6.459 41 HG LEU 8 HG LEU 8 8.751 4.676 -4.341 42 HD11 LEU 8 HD11 LEU 8 6.467 2.721 -4.219 43 HD12 LEU 8 HD12 LEU 8 6.505 4.189 -5.173 44 HD13 LEU 8 HD13 LEU 8 6.563 4.290 -3.405 45 HD21 LEU 8 HD21 LEU 8 8.679 1.951 -3.068 46 HD22 LEU 8 HD22 LEU 8 8.585 3.484 -2.206 47 HD23 LEU 8 HD23 LEU 8 10.047 3.063 -3.105 48 H GLU 9 HN GLU 9 7.195 2.240 -7.610 49 HA GLU 9 HA GLU 9 4.704 1.691 -6.433 50 HB2 GLU 9 HB2 GLU 9 5.202 3.378 -8.173 51 HB3 GLU 9 HB1 GLU 9 5.358 2.088 -9.362 52 HG2 GLU 9 HG2 GLU 9 2.980 1.473 -8.886 53 HG3 GLU 9 HG1 GLU 9 2.887 2.887 -7.834 54 H TRP 10 HN TRP 10 6.745 -0.072 -8.692 55 HA TRP 10 HA TRP 10 5.060 -2.182 -9.303 56 HB2 TRP 10 HB2 TRP 10 7.090 -1.988 -10.566 57 HB3 TRP 10 HB1 TRP 10 8.068 -2.048 -9.104 58 HD1 TRP 10 HD1 TRP 10 6.137 -4.381 -11.477 59 HE1 TRP 10 HE1 TRP 10 6.898 -6.796 -11.049 60 HE3 TRP 10 HE3 TRP 10 9.075 -3.578 -7.410 61 HZ2 TRP 10 HZ2 TRP 10 8.541 -8.190 -9.192 62 HZ3 TRP 10 HZ3 TRP 10 10.182 -5.453 -6.355 63 HH2 TRP 10 HH2 TRP 10 9.950 -7.712 -7.186 64 H THR 11 HN THR 11 7.231 -1.786 -6.513 65 HA THR 11 HA THR 11 6.835 -4.441 -5.644 66 HB THR 11 HB THR 11 7.604 -2.116 -3.863 67 HG1 THR 11 HG1 THR 11 8.994 -2.393 -5.742 68 HG21 THR 11 HG21 THR 11 8.083 -5.084 -3.706 69 HG22 THR 11 HG22 THR 11 6.936 -4.175 -2.724 70 HG23 THR 11 HG23 THR 11 8.671 -3.891 -2.554 71 H LEU 12 HN LEU 12 5.246 -1.435 -4.912 72 HA LEU 12 HA LEU 12 3.593 -2.273 -2.894 73 HB2 LEU 12 HB2 LEU 12 3.214 -0.288 -5.081 74 HB3 LEU 12 HB1 LEU 12 2.021 -0.479 -3.806 75 HG LEU 12 HG LEU 12 4.894 0.367 -3.433 76 HD11 LEU 12 HD11 LEU 12 2.314 1.932 -3.261 77 HD12 LEU 12 HD12 LEU 12 3.501 2.050 -4.558 78 HD13 LEU 12 HD13 LEU 12 3.933 2.554 -2.927 79 HD21 LEU 12 HD21 LEU 12 2.590 0.132 -1.505 80 HD22 LEU 12 HD22 LEU 12 4.159 0.850 -1.147 81 HD23 LEU 12 HD23 LEU 12 4.046 -0.868 -1.512 82 H GLN 13 HN GLN 13 3.024 -2.112 -6.434 83 HA GLN 13 HA GLN 13 0.442 -3.181 -6.394 84 HB2 GLN 13 HB2 GLN 13 0.600 -3.472 -8.821 85 HB3 GLN 13 HB1 GLN 13 1.368 -1.958 -8.365 86 HG2 GLN 13 HG2 GLN 13 3.521 -2.927 -8.560 87 HG3 GLN 13 HG1 GLN 13 2.833 -4.498 -8.904 88 HE21 GLN 13 HE21 GLN 13 0.795 -3.589 -10.662 89 HE22 GLN 13 HE22 GLN 13 1.552 -3.060 -12.115 90 H THR 14 HN THR 14 3.558 -4.792 -6.791 91 HA THR 14 HA THR 14 2.636 -7.329 -7.439 92 HB THR 14 HB THR 14 5.110 -6.618 -5.860 93 HG1 THR 14 HG1 THR 14 5.340 -5.505 -7.731 94 HG21 THR 14 HG21 THR 14 6.072 -8.613 -6.917 95 HG22 THR 14 HG22 THR 14 4.543 -8.928 -7.727 96 HG23 THR 14 HG23 THR 14 4.651 -9.061 -5.963 97 H LEU 15 HN LEU 15 2.943 -5.823 -4.282 98 HA LEU 15 HA LEU 15 2.372 -8.190 -2.788 99 HB2 LEU 15 HB2 LEU 15 2.068 -5.278 -2.078 100 HB3 LEU 15 HB1 LEU 15 1.917 -6.600 -0.943 101 HG LEU 15 HG LEU 15 4.460 -6.121 -2.482 102 HD11 LEU 15 HD11 LEU 15 5.297 -5.012 -0.470 103 HD12 LEU 15 HD12 LEU 15 3.708 -5.155 0.282 104 HD13 LEU 15 HD13 LEU 15 3.926 -4.119 -1.136 105 HD21 LEU 15 HD21 LEU 15 5.441 -7.458 -0.682 106 HD22 LEU 15 HD22 LEU 15 4.154 -8.361 -1.474 107 HD23 LEU 15 HD23 LEU 15 3.879 -7.611 0.096 108 H LEU 16 HN LEU 16 0.500 -5.456 -3.944 109 HA LEU 16 HA LEU 16 -1.944 -6.352 -2.793 110 HB2 LEU 16 HB2 LEU 16 -1.386 -4.208 -4.822 111 HB3 LEU 16 HB1 LEU 16 -2.922 -4.469 -4.009 112 HG LEU 16 HG LEU 16 -0.342 -3.761 -2.576 113 HD11 LEU 16 HD11 LEU 16 -2.652 -1.978 -3.288 114 HD12 LEU 16 HD12 LEU 16 -1.055 -1.941 -4.035 115 HD13 LEU 16 HD13 LEU 16 -1.241 -1.525 -2.332 116 HD21 LEU 16 HD21 LEU 16 -3.208 -3.802 -1.657 117 HD22 LEU 16 HD22 LEU 16 -1.836 -3.237 -0.712 118 HD23 LEU 16 HD23 LEU 16 -1.945 -4.937 -1.180 119 H GLU 17 HN GLU 17 -0.328 -7.066 -5.701 120 HA GLU 17 HA GLU 17 -2.694 -8.017 -7.025 121 HB2 GLU 17 HB2 GLU 17 0.242 -8.310 -7.702 122 HB3 GLU 17 HB1 GLU 17 -1.055 -8.940 -8.709 123 HG2 GLU 17 HG2 GLU 17 -1.908 -6.634 -9.025 124 HG3 GLU 17 HG1 GLU 17 -0.620 -6.009 -8.042 125 H GLN 18 HN GLN 18 -0.474 -9.133 -4.746 126 HA GLN 18 HA GLN 18 -1.125 -11.939 -5.131 127 HB2 GLN 18 HB2 GLN 18 0.675 -10.489 -3.210 128 HB3 GLN 18 HB1 GLN 18 0.293 -12.193 -3.016 129 HG2 GLN 18 HG2 GLN 18 1.303 -12.705 -5.128 130 HG3 GLN 18 HG1 GLN 18 1.562 -10.990 -5.457 131 HE21 GLN 18 HE21 GLN 18 3.171 -9.941 -4.447 132 HE22 GLN 18 HE22 GLN 18 4.440 -10.730 -3.562 133 H LEU 19 HN LEU 19 -1.703 -9.341 -2.816 134 HA LEU 19 HA LEU 19 -3.699 -11.030 -1.458 135 HB2 LEU 19 HB2 LEU 19 -3.391 -9.696 0.467 136 HB3 LEU 19 HB1 LEU 19 -1.771 -9.828 -0.180 137 HG LEU 19 HG LEU 19 -2.690 -7.556 -1.361 138 HD11 LEU 19 HD11 LEU 19 -4.691 -7.478 -0.217 139 HD12 LEU 19 HD12 LEU 19 -3.685 -6.137 0.340 140 HD13 LEU 19 HD13 LEU 19 -3.909 -7.568 1.365 141 HD21 LEU 19 HD21 LEU 19 -0.524 -7.764 -0.405 142 HD22 LEU 19 HD22 LEU 19 -1.186 -7.692 1.250 143 HD23 LEU 19 HD23 LEU 19 -1.317 -6.302 0.146 144 H ASN 20 HN ASN 20 -5.814 -10.557 -2.041 145 HA ASN 20 HA ASN 20 -6.634 -7.893 -2.340 146 HB2 ASN 20 HB2 ASN 20 -7.254 -7.843 -4.797 147 HB3 ASN 20 HB1 ASN 20 -5.551 -7.809 -4.427 148 HD21 ASN 20 HD21 ASN 20 -4.355 -9.611 -4.680 149 HD22 ASN 20 HD22 ASN 20 -4.725 -10.821 -5.881 150 H GLU 21 HN GLU 21 -7.618 -10.993 -3.757 151 HA GLU 21 HA GLU 21 -10.265 -10.740 -4.140 152 HB2 GLU 21 HB2 GLU 21 -8.877 -12.753 -4.510 153 HB3 GLU 21 HB1 GLU 21 -9.076 -13.125 -2.798 154 HG2 GLU 21 HG2 GLU 21 -10.739 -14.337 -4.108 155 HG3 GLU 21 HG1 GLU 21 -11.398 -13.061 -3.048 156 H ASP 22 HN ASP 22 -9.426 -12.188 -1.011 157 HA ASP 22 HA ASP 22 -11.781 -10.726 0.003 158 HB2 ASP 22 HB2 ASP 22 -11.914 -13.240 -0.049 159 HB3 ASP 22 HB1 ASP 22 -10.533 -13.282 1.034 160 H GLU 23 HN GLU 23 -8.763 -10.410 -0.195 161 HA GLU 23 HA GLU 23 -7.901 -10.174 2.589 162 HB2 GLU 23 HB2 GLU 23 -6.271 -9.425 0.197 163 HB3 GLU 23 HB1 GLU 23 -5.738 -10.067 1.742 164 HG2 GLU 23 HG2 GLU 23 -7.355 -11.582 -0.235 165 HG3 GLU 23 HG1 GLU 23 -5.589 -11.644 -0.214 166 H LEU 24 HN LEU 24 -8.509 -8.183 -0.279 167 HA LEU 24 HA LEU 24 -7.295 -5.842 0.768 168 HB2 LEU 24 HB2 LEU 24 -7.945 -6.656 -1.707 169 HB3 LEU 24 HB1 LEU 24 -9.317 -5.640 -1.368 170 HG LEU 24 HG LEU 24 -7.819 -3.733 -0.950 171 HD11 LEU 24 HD11 LEU 24 -5.456 -3.942 -1.604 172 HD12 LEU 24 HD12 LEU 24 -5.664 -5.680 -1.790 173 HD13 LEU 24 HD13 LEU 24 -5.830 -4.930 -0.203 174 HD21 LEU 24 HD21 LEU 24 -7.369 -5.132 -3.574 175 HD22 LEU 24 HD22 LEU 24 -7.145 -3.412 -3.255 176 HD23 LEU 24 HD23 LEU 24 -8.758 -4.123 -3.173 177 H LYS 25 HN LYS 25 -10.331 -7.301 1.064 178 HA LYS 25 HA LYS 25 -12.067 -5.190 1.627 179 HB2 LYS 25 HB2 LYS 25 -11.940 -7.970 2.807 180 HB3 LYS 25 HB1 LYS 25 -13.340 -6.903 2.866 181 HG2 LYS 25 HG2 LYS 25 -13.645 -7.025 0.516 182 HG3 LYS 25 HG1 LYS 25 -12.086 -7.819 0.291 183 HD2 LYS 25 HD2 LYS 25 -12.855 -9.762 1.411 184 HD3 LYS 25 HD1 LYS 25 -14.413 -9.004 1.805 185 HE2 LYS 25 HE2 LYS 25 -14.865 -8.818 -0.617 186 HE3 LYS 25 HE1 LYS 25 -13.337 -9.622 -0.960 187 HZ1 LYS 25 HZ1 LYS 25 -14.232 -11.519 0.387 188 HZ2 LYS 25 HZ2 LYS 25 -14.980 -11.252 -1.091 189 HZ3 LYS 25 HZ3 LYS 25 -15.743 -10.752 0.347 190 H SER 26 HN SER 26 -9.738 -6.941 3.675 191 HA SER 26 HA SER 26 -10.274 -5.700 6.093 192 HB2 SER 26 HB2 SER 26 -7.903 -7.009 4.859 193 HB3 SER 26 HB1 SER 26 -8.119 -6.739 6.569 194 HG SER 26 HG SER 26 -10.228 -8.012 6.062 195 H PHE 27 HN PHE 27 -7.763 -5.425 3.651 196 HA PHE 27 HA PHE 27 -6.072 -3.555 4.722 197 HB2 PHE 27 HB2 PHE 27 -5.641 -4.999 2.805 198 HB3 PHE 27 HB1 PHE 27 -6.738 -4.046 1.833 199 HD1 PHE 27 HD1 PHE 27 -5.975 -1.413 1.709 200 HD2 PHE 27 HD2 PHE 27 -3.397 -4.663 2.649 201 HE1 PHE 27 HE1 PHE 27 -4.026 -0.057 1.059 202 HE2 PHE 27 HE2 PHE 27 -1.450 -3.310 2.008 203 HZ PHE 27 HZ PHE 27 -1.764 -1.001 1.215 204 H LYS 28 HN LYS 28 -8.850 -2.910 2.554 205 HA LYS 28 HA LYS 28 -8.456 -0.148 2.260 206 HB2 LYS 28 HB2 LYS 28 -11.023 -1.725 2.123 207 HB3 LYS 28 HB1 LYS 28 -10.857 -0.055 1.598 208 HG2 LYS 28 HG2 LYS 28 -9.266 -0.705 -0.098 209 HG3 LYS 28 HG1 LYS 28 -9.301 -2.371 0.474 210 HD2 LYS 28 HD2 LYS 28 -11.721 -2.455 -0.088 211 HD3 LYS 28 HD1 LYS 28 -11.578 -0.835 -0.771 212 HE2 LYS 28 HE2 LYS 28 -9.961 -1.591 -2.377 213 HE3 LYS 28 HE1 LYS 28 -9.938 -3.198 -1.652 214 HZ1 LYS 28 HZ1 LYS 28 -11.244 -3.176 -3.636 215 HZ2 LYS 28 HZ2 LYS 28 -12.252 -1.955 -3.070 216 HZ3 LYS 28 HZ3 LYS 28 -12.246 -3.464 -2.324 217 H SER 29 HN SER 29 -9.980 -1.914 4.849 218 HA SER 29 HA SER 29 -11.051 0.418 6.043 219 HB2 SER 29 HB2 SER 29 -10.873 -2.436 6.425 220 HB3 SER 29 HB1 SER 29 -11.221 -1.505 7.867 221 HG SER 29 HG SER 29 -13.060 -2.320 6.518 222 H LEU 30 HN LEU 30 -8.449 -1.814 6.549 223 HA LEU 30 HA LEU 30 -7.378 -0.829 8.920 224 HB2 LEU 30 HB2 LEU 30 -6.056 -2.233 6.647 225 HB3 LEU 30 HB1 LEU 30 -5.238 -1.883 8.158 226 HG LEU 30 HG LEU 30 -7.791 -3.462 8.018 227 HD11 LEU 30 HD11 LEU 30 -4.919 -4.393 8.101 228 HD12 LEU 30 HD12 LEU 30 -6.008 -4.559 6.728 229 HD13 LEU 30 HD13 LEU 30 -6.332 -5.442 8.225 230 HD21 LEU 30 HD21 LEU 30 -5.636 -3.216 10.103 231 HD22 LEU 30 HD22 LEU 30 -7.077 -4.217 10.229 232 HD23 LEU 30 HD23 LEU 30 -7.228 -2.459 10.194 233 H LEU 31 HN LEU 31 -6.569 0.245 5.604 234 HA LEU 31 HA LEU 31 -4.664 2.086 6.733 235 HB2 LEU 31 HB2 LEU 31 -3.908 2.531 4.584 236 HB3 LEU 31 HB1 LEU 31 -4.720 1.007 4.328 237 HG LEU 31 HG LEU 31 -6.056 3.642 3.733 238 HD11 LEU 31 HD11 LEU 31 -4.460 1.879 1.886 239 HD12 LEU 31 HD12 LEU 31 -4.014 3.497 2.426 240 HD13 LEU 31 HD13 LEU 31 -5.431 3.269 1.401 241 HD21 LEU 31 HD21 LEU 31 -6.543 0.837 2.761 242 HD22 LEU 31 HD22 LEU 31 -7.453 2.278 2.294 243 HD23 LEU 31 HD23 LEU 31 -7.508 1.698 3.959 244 H TRP 32 HN TRP 32 -7.873 2.080 6.768 245 HA TRP 32 HA TRP 32 -8.099 4.976 6.613 246 HB2 TRP 32 HB2 TRP 32 -9.780 2.971 5.812 247 HB3 TRP 32 HB1 TRP 32 -10.450 3.400 7.381 248 HD1 TRP 32 HD1 TRP 32 -12.066 5.432 7.377 249 HE1 TRP 32 HE1 TRP 32 -12.630 7.276 5.659 250 HE3 TRP 32 HE3 TRP 32 -8.504 4.383 3.987 251 HZ2 TRP 32 HZ2 TRP 32 -11.664 8.146 3.153 252 HZ3 TRP 32 HZ3 TRP 32 -8.349 5.754 1.903 253 HH2 TRP 32 HH2 TRP 32 -9.909 7.602 1.519 254 H ALA 33 HN ALA 33 -7.337 2.533 8.692 255 HA ALA 33 HA ALA 33 -8.794 3.453 11.029 256 HB1 ALA 33 HB1 ALA 33 -6.989 1.066 10.735 257 HB2 ALA 33 HB2 ALA 33 -8.739 1.056 10.535 258 HB3 ALA 33 HB3 ALA 33 -8.032 1.430 12.111 259 H PHE 34 HN PHE 34 -5.601 3.693 9.693 260 HA PHE 34 HA PHE 34 -4.479 4.330 12.268 261 HB2 PHE 34 HB2 PHE 34 -2.352 4.615 11.085 262 HB3 PHE 34 HB1 PHE 34 -3.125 3.181 10.460 263 HD1 PHE 34 HD2 PHE 34 -2.529 6.772 9.725 264 HD2 PHE 34 HD1 PHE 34 -3.446 2.922 8.198 265 HE1 PHE 34 HE2 PHE 34 -2.266 7.629 7.467 266 HE2 PHE 34 HE1 PHE 34 -3.166 3.783 5.907 267 HZ PHE 34 HZ PHE 34 -2.604 6.139 5.538 268 HA PRO 35 HA PRO 35 -5.388 8.677 12.161 269 HB2 PRO 35 HB2 PRO 35 -2.909 9.819 12.710 270 HB3 PRO 35 HB1 PRO 35 -4.031 9.223 13.936 271 HG2 PRO 35 HG2 PRO 35 -1.630 7.895 12.753 272 HG3 PRO 35 HG1 PRO 35 -2.217 7.866 14.427 273 HD2 PRO 35 HD2 PRO 35 -2.584 5.786 12.773 274 HD3 PRO 35 HD1 PRO 35 -3.811 6.245 13.969 275 H LEU 36 HN LEU 36 -5.861 9.375 10.184 276 HA LEU 36 HA LEU 36 -3.985 9.256 8.014 277 HB2 LEU 36 HB2 LEU 36 -6.600 10.675 8.136 278 HB3 LEU 36 HB1 LEU 36 -5.710 10.317 6.680 279 HG LEU 36 HG LEU 36 -7.156 8.338 8.448 280 HD11 LEU 36 HD11 LEU 36 -8.559 9.578 6.899 281 HD12 LEU 36 HD12 LEU 36 -8.420 7.876 6.421 282 HD13 LEU 36 HD13 LEU 36 -7.493 9.108 5.571 283 HD21 LEU 36 HD21 LEU 36 -6.411 6.613 6.879 284 HD22 LEU 36 HD22 LEU 36 -5.066 7.352 7.742 285 HD23 LEU 36 HD23 LEU 36 -5.390 7.802 6.066 286 H GLU 37 HN GLU 37 -2.732 10.770 7.315 287 HA GLU 37 HA GLU 37 -2.591 13.241 8.803 288 HB2 GLU 37 HB2 GLU 37 -0.733 12.057 6.733 289 HB3 GLU 37 HB1 GLU 37 -0.377 13.437 7.776 290 HG2 GLU 37 HG2 GLU 37 -0.642 12.018 9.763 291 HG3 GLU 37 HG1 GLU 37 -1.039 10.676 8.719 292 H ASP 38 HN ASP 38 -1.740 15.140 7.151 293 HA ASP 38 HA ASP 38 -4.105 16.152 6.216 294 HB2 ASP 38 HB2 ASP 38 -2.925 18.001 5.265 295 HB3 ASP 38 HB1 ASP 38 -2.086 17.486 6.724 296 H VAL 39 HN VAL 39 -1.626 14.976 4.071 297 HA VAL 39 HA VAL 39 -3.141 15.241 1.694 298 HB VAL 39 HB VAL 39 -0.676 15.123 1.803 299 HG11 VAL 39 HG11 VAL 39 0.483 12.965 1.879 300 HG12 VAL 39 HG12 VAL 39 -1.048 12.175 2.242 301 HG13 VAL 39 HG13 VAL 39 -0.365 13.339 3.381 302 HG21 VAL 39 HG21 VAL 39 -1.722 14.869 -0.335 303 HG22 VAL 39 HG22 VAL 39 -1.972 13.144 -0.053 304 HG23 VAL 39 HG23 VAL 39 -0.338 13.779 -0.243 305 H LEU 40 HN LEU 40 -3.257 12.906 4.125 306 HA LEU 40 HA LEU 40 -4.380 10.836 2.431 307 HB2 LEU 40 HB2 LEU 40 -3.729 10.931 5.348 308 HB3 LEU 40 HB1 LEU 40 -4.406 9.531 4.537 309 HG LEU 40 HG LEU 40 -1.760 10.770 3.820 310 HD11 LEU 40 HD11 LEU 40 -1.725 9.921 6.095 311 HD12 LEU 40 HD12 LEU 40 -0.800 8.875 5.018 312 HD13 LEU 40 HD13 LEU 40 -2.419 8.402 5.538 313 HD21 LEU 40 HD21 LEU 40 -1.416 8.638 2.670 314 HD22 LEU 40 HD22 LEU 40 -2.808 9.497 2.021 315 HD23 LEU 40 HD23 LEU 40 -3.044 8.133 3.116 316 H GLN 41 HN GLN 41 -5.432 13.533 3.952 317 HA GLN 41 HA GLN 41 -7.969 12.411 4.799 318 HB2 GLN 41 HB2 GLN 41 -6.884 15.234 4.898 319 HB3 GLN 41 HB1 GLN 41 -8.466 14.763 5.508 320 HG2 GLN 41 HG2 GLN 41 -7.440 13.322 7.160 321 HG3 GLN 41 HG1 GLN 41 -5.847 13.648 6.489 322 HE21 GLN 41 HE21 GLN 41 -8.468 14.919 8.340 323 HE22 GLN 41 HE22 GLN 41 -7.626 16.261 9.011 324 H LYS 42 HN LYS 42 -6.601 13.443 1.958 325 HA LYS 42 HA LYS 42 -9.176 14.361 0.846 326 HB2 LYS 42 HB2 LYS 42 -7.950 15.373 -0.966 327 HB3 LYS 42 HB1 LYS 42 -7.152 15.852 0.524 328 HG2 LYS 42 HG2 LYS 42 -5.436 14.137 0.145 329 HG3 LYS 42 HG1 LYS 42 -6.239 13.674 -1.355 330 HD2 LYS 42 HD2 LYS 42 -5.876 15.999 -2.187 331 HD3 LYS 42 HD1 LYS 42 -4.944 16.331 -0.725 332 HE2 LYS 42 HE2 LYS 42 -3.445 14.418 -1.338 333 HE3 LYS 42 HE1 LYS 42 -4.324 14.285 -2.853 334 HZ1 LYS 42 HZ1 LYS 42 -2.765 16.638 -1.945 335 HZ2 LYS 42 HZ2 LYS 42 -3.618 16.581 -3.385 336 HZ3 LYS 42 HZ3 LYS 42 -2.298 15.560 -3.140 337 H THR 43 HN THR 43 -7.873 11.568 1.392 338 HA THR 43 HA THR 43 -7.210 10.257 -0.919 339 HB THR 43 HB THR 43 -8.112 8.276 0.548 340 HG1 THR 43 HG1 THR 43 -7.609 9.690 2.796 341 HG21 THR 43 HG21 THR 43 -5.755 8.680 0.105 342 HG22 THR 43 HG22 THR 43 -5.965 8.380 1.835 343 HG23 THR 43 HG23 THR 43 -5.756 10.028 1.235 344 HA PRO 44 HA PRO 44 -11.315 9.893 -2.649 345 HB2 PRO 44 HB2 PRO 44 -10.557 8.691 -4.975 346 HB3 PRO 44 HB1 PRO 44 -10.475 10.434 -4.714 347 HG2 PRO 44 HG2 PRO 44 -8.297 8.397 -4.593 348 HG3 PRO 44 HG1 PRO 44 -8.237 10.058 -5.203 349 HD2 PRO 44 HD2 PRO 44 -7.282 9.311 -2.741 350 HD3 PRO 44 HD1 PRO 44 -7.873 10.936 -3.110 351 H TRP 45 HN TRP 45 -11.985 8.353 -1.090 352 HA TRP 45 HA TRP 45 -11.297 5.612 -1.126 353 HB2 TRP 45 HB2 TRP 45 -12.399 6.555 0.846 354 HB3 TRP 45 HB1 TRP 45 -13.812 6.990 -0.104 355 HD1 TRP 45 HD1 TRP 45 -15.319 4.851 -1.001 356 HE1 TRP 45 HE1 TRP 45 -15.835 2.618 0.138 357 HE3 TRP 45 HE3 TRP 45 -11.515 4.777 2.393 358 HZ2 TRP 45 HZ2 TRP 45 -14.772 1.013 2.197 359 HZ3 TRP 45 HZ3 TRP 45 -11.336 2.858 3.913 360 HH2 TRP 45 HH2 TRP 45 -12.918 1.016 3.828 361 H SER 46 HN SER 46 -13.665 7.468 -2.962 362 HA SER 46 HA SER 46 -15.125 5.390 -4.054 363 HB2 SER 46 HB2 SER 46 -14.261 7.978 -5.361 364 HB3 SER 46 HB1 SER 46 -15.595 6.950 -5.905 365 HG SER 46 HG SER 46 -16.654 7.329 -4.019 366 H GLU 47 HN GLU 47 -11.918 6.567 -4.917 367 HA GLU 47 HA GLU 47 -11.547 4.848 -7.150 368 HB2 GLU 47 HB2 GLU 47 -9.674 6.394 -5.371 369 HB3 GLU 47 HB1 GLU 47 -9.063 5.290 -6.587 370 HG2 GLU 47 HG2 GLU 47 -10.875 7.611 -7.188 371 HG3 GLU 47 HG1 GLU 47 -9.116 7.680 -7.262 372 H VAL 48 HN VAL 48 -10.500 4.749 -3.753 373 HA VAL 48 HA VAL 48 -9.060 2.359 -3.911 374 HB VAL 48 HB VAL 48 -8.774 2.367 -1.616 375 HG11 VAL 48 HG11 VAL 48 -7.834 4.303 -2.394 376 HG12 VAL 48 HG12 VAL 48 -8.531 4.623 -0.799 377 HG13 VAL 48 HG13 VAL 48 -9.358 5.183 -2.253 378 HG21 VAL 48 HG21 VAL 48 -10.971 2.013 -0.797 379 HG22 VAL 48 HG22 VAL 48 -11.474 3.631 -1.245 380 HG23 VAL 48 HG23 VAL 48 -10.308 3.404 0.068 381 H GLU 49 HN GLU 49 -12.430 2.914 -3.408 382 HA GLU 49 HA GLU 49 -13.324 0.539 -2.287 383 HB2 GLU 49 HB2 GLU 49 -14.423 2.838 -2.864 384 HB3 GLU 49 HB1 GLU 49 -14.944 1.957 -4.294 385 HG2 GLU 49 HG2 GLU 49 -15.308 0.895 -1.550 386 HG3 GLU 49 HG1 GLU 49 -16.468 1.985 -2.271 387 H GLU 50 HN GLU 50 -13.019 1.481 -5.702 388 HA GLU 50 HA GLU 50 -13.818 -1.206 -6.450 389 HB2 GLU 50 HB2 GLU 50 -13.193 1.131 -8.244 390 HB3 GLU 50 HB1 GLU 50 -13.921 -0.389 -8.732 391 HG2 GLU 50 HG2 GLU 50 -15.810 0.154 -7.162 392 HG3 GLU 50 HG1 GLU 50 -15.101 1.760 -7.020 393 H ALA 51 HN ALA 51 -11.055 0.416 -5.771 394 HA ALA 51 HA ALA 51 -9.330 -0.627 -7.809 395 HB1 ALA 51 HB1 ALA 51 -8.656 0.705 -5.214 396 HB2 ALA 51 HB2 ALA 51 -8.890 1.525 -6.759 397 HB3 ALA 51 HB3 ALA 51 -7.551 0.392 -6.547 398 H ASP 52 HN ASP 52 -8.009 -2.239 -7.751 399 HA ASP 52 HA ASP 52 -7.581 -3.648 -5.273 400 HB2 ASP 52 HB2 ASP 52 -8.024 -5.768 -6.175 401 HB3 ASP 52 HB1 ASP 52 -9.382 -4.778 -6.684 402 H GLY 53 HN GLY 53 -5.580 -4.718 -5.306 403 HA2 GLY 53 HA2 GLY 53 -3.386 -4.994 -5.782 404 HA3 GLY 53 HA1 GLY 53 -3.952 -5.264 -7.423 405 H LYS 54 HN LYS 54 -3.413 -3.876 -8.960 406 HA LYS 54 HA LYS 54 -1.286 -2.067 -8.469 407 HB2 LYS 54 HB2 LYS 54 -1.825 -3.298 -10.667 408 HB3 LYS 54 HB1 LYS 54 -2.973 -1.995 -10.950 409 HG2 LYS 54 HG2 LYS 54 -0.481 -0.870 -10.176 410 HG3 LYS 54 HG1 LYS 54 -0.213 -2.043 -11.428 411 HD2 LYS 54 HD2 LYS 54 -0.478 0.045 -12.541 412 HD3 LYS 54 HD1 LYS 54 -1.949 -0.878 -12.832 413 HE2 LYS 54 HE2 LYS 54 -3.139 0.397 -11.215 414 HE3 LYS 54 HE1 LYS 54 -1.653 1.167 -10.661 415 HZ1 LYS 54 HZ1 LYS 54 -2.980 2.634 -12.111 416 HZ2 LYS 54 HZ2 LYS 54 -2.807 1.544 -13.393 417 HZ3 LYS 54 HZ3 LYS 54 -1.460 2.315 -12.733 418 H LYS 55 HN LYS 55 -4.703 -1.684 -9.166 419 HA LYS 55 HA LYS 55 -4.608 1.002 -9.544 420 HB2 LYS 55 HB2 LYS 55 -6.794 -0.882 -8.924 421 HB3 LYS 55 HB1 LYS 55 -7.153 0.797 -8.595 422 HG2 LYS 55 HG2 LYS 55 -6.129 -0.201 -11.211 423 HG3 LYS 55 HG1 LYS 55 -7.859 -0.056 -10.854 424 HD2 LYS 55 HD2 LYS 55 -5.810 2.188 -10.888 425 HD3 LYS 55 HD1 LYS 55 -7.030 1.885 -12.119 426 HE2 LYS 55 HE2 LYS 55 -8.804 2.312 -10.441 427 HE3 LYS 55 HE1 LYS 55 -7.567 2.655 -9.235 428 HZ1 LYS 55 HZ1 LYS 55 -6.779 4.457 -10.662 429 HZ2 LYS 55 HZ2 LYS 55 -8.354 4.729 -10.141 430 HZ3 LYS 55 HZ3 LYS 55 -8.065 4.204 -11.722 431 H LEU 56 HN LEU 56 -4.879 -0.873 -6.635 432 HA LEU 56 HA LEU 56 -5.564 1.293 -4.955 433 HB2 LEU 56 HB2 LEU 56 -5.994 -1.093 -4.412 434 HB3 LEU 56 HB1 LEU 56 -4.283 -1.313 -4.199 435 HG LEU 56 HG LEU 56 -4.281 0.325 -2.348 436 HD11 LEU 56 HD11 LEU 56 -6.179 1.689 -2.997 437 HD12 LEU 56 HD12 LEU 56 -6.412 1.044 -1.371 438 HD13 LEU 56 HD13 LEU 56 -7.268 0.328 -2.735 439 HD21 LEU 56 HD21 LEU 56 -5.421 -1.080 -0.729 440 HD22 LEU 56 HD22 LEU 56 -4.505 -2.041 -1.892 441 HD23 LEU 56 HD23 LEU 56 -6.262 -1.908 -2.037 442 H ALA 57 HN ALA 57 -2.518 -0.281 -5.802 443 HA ALA 57 HA ALA 57 -0.752 1.132 -4.125 444 HB1 ALA 57 HB1 ALA 57 0.987 0.541 -5.747 445 HB2 ALA 57 HB2 ALA 57 -0.251 0.114 -6.926 446 HB3 ALA 57 HB3 ALA 57 -0.076 -0.833 -5.453 447 H GLU 58 HN GLU 58 -2.170 1.905 -7.164 448 HA GLU 58 HA GLU 58 -0.776 4.197 -7.961 449 HB2 GLU 58 HB2 GLU 58 -2.270 2.926 -9.384 450 HB3 GLU 58 HB1 GLU 58 -3.622 3.294 -8.342 451 HG2 GLU 58 HG2 GLU 58 -3.330 5.694 -8.990 452 HG3 GLU 58 HG1 GLU 58 -2.160 5.140 -10.196 453 H ILE 59 HN ILE 59 -3.511 3.745 -5.829 454 HA ILE 59 HA ILE 59 -4.030 6.536 -5.510 455 HB ILE 59 HB ILE 59 -5.088 4.162 -3.925 456 HG12 ILE 59 HG12 ILE 59 -6.534 5.633 -6.086 457 HG13 ILE 59 HG11 ILE 59 -5.379 4.369 -6.521 458 HG21 ILE 59 HG21 ILE 59 -6.079 7.013 -4.228 459 HG22 ILE 59 HG22 ILE 59 -5.417 6.309 -2.751 460 HG23 ILE 59 HG23 ILE 59 -6.954 5.734 -3.402 461 HD11 ILE 59 HD11 ILE 59 -7.881 4.095 -4.854 462 HD12 ILE 59 HD12 ILE 59 -6.710 2.809 -5.193 463 HD13 ILE 59 HD13 ILE 59 -7.608 3.522 -6.507 464 H LEU 60 HN LEU 60 -2.278 4.039 -3.806 465 HA LEU 60 HA LEU 60 -1.657 5.540 -1.492 466 HB2 LEU 60 HB2 LEU 60 -0.423 3.126 -2.757 467 HB3 LEU 60 HB1 LEU 60 0.502 3.987 -1.553 468 HG LEU 60 HG LEU 60 -0.580 2.078 -0.563 469 HD11 LEU 60 HD11 LEU 60 -1.882 4.622 0.364 470 HD12 LEU 60 HD12 LEU 60 -0.298 4.008 0.841 471 HD13 LEU 60 HD13 LEU 60 -1.756 3.119 1.278 472 HD21 LEU 60 HD21 LEU 60 -2.471 1.816 -2.066 473 HD22 LEU 60 HD22 LEU 60 -3.195 3.297 -1.435 474 HD23 LEU 60 HD23 LEU 60 -3.013 1.881 -0.388 475 H VAL 61 HN VAL 61 0.090 5.137 -4.584 476 HA VAL 61 HA VAL 61 2.194 6.876 -3.699 477 HB VAL 61 HB VAL 61 2.523 4.982 -5.310 478 HG11 VAL 61 HG11 VAL 61 1.141 6.773 -7.264 479 HG12 VAL 61 HG12 VAL 61 0.584 5.211 -6.667 480 HG13 VAL 61 HG13 VAL 61 2.028 5.305 -7.681 481 HG21 VAL 61 HG21 VAL 61 4.252 6.677 -5.116 482 HG22 VAL 61 HG22 VAL 61 3.432 7.675 -6.318 483 HG23 VAL 61 HG23 VAL 61 4.122 6.115 -6.784 484 H ASN 62 HN ASN 62 -0.858 7.364 -4.933 485 HA ASN 62 HA ASN 62 -0.554 9.860 -6.268 486 HB2 ASN 62 HB2 ASN 62 -2.573 8.458 -6.527 487 HB3 ASN 62 HB1 ASN 62 -2.936 8.630 -4.826 488 HD21 ASN 62 HD21 ASN 62 -4.687 9.192 -6.979 489 HD22 ASN 62 HD22 ASN 62 -5.078 10.863 -6.905 490 H THR 63 HN THR 63 -1.227 8.839 -2.961 491 HA THR 63 HA THR 63 -1.444 11.604 -2.126 492 HB THR 63 HB THR 63 -2.298 10.520 0.028 493 HG1 THR 63 HG1 THR 63 -2.770 8.235 -1.598 494 HG21 THR 63 HG21 THR 63 -4.524 10.137 -0.947 495 HG22 THR 63 HG22 THR 63 -3.808 10.060 -2.557 496 HG23 THR 63 HG23 THR 63 -3.773 11.571 -1.645 497 H SER 64 HN SER 64 0.347 8.649 -1.245 498 HA SER 64 HA SER 64 1.769 10.246 0.724 499 HB2 SER 64 HB2 SER 64 1.680 7.285 0.306 500 HB3 SER 64 HB1 SER 64 2.379 8.141 1.690 501 HG SER 64 HG SER 64 -0.310 8.390 0.888 502 H SER 65 HN SER 65 4.068 10.117 0.893 503 HA SER 65 HA SER 65 5.419 9.922 -1.613 504 HB2 SER 65 HB2 SER 65 7.304 10.718 -0.056 505 HB3 SER 65 HB1 SER 65 5.943 11.818 -0.302 506 HG SER 65 HG SER 65 6.512 11.580 1.911 507 H GLU 66 HN GLU 66 7.345 8.615 -1.814 508 HA GLU 66 HA GLU 66 6.892 5.981 -1.079 509 HB2 GLU 66 HB2 GLU 66 9.192 5.528 -2.022 510 HB3 GLU 66 HB1 GLU 66 8.062 6.349 -3.077 511 HG2 GLU 66 HG2 GLU 66 10.027 7.470 -3.483 512 HG3 GLU 66 HG1 GLU 66 9.265 8.498 -2.277 513 H ASN 67 HN ASN 67 8.838 8.319 0.503 514 HA ASN 67 HA ASN 67 10.216 6.653 2.332 515 HB2 ASN 67 HB2 ASN 67 10.929 8.944 1.919 516 HB3 ASN 67 HB1 ASN 67 9.401 9.567 2.506 517 HD21 ASN 67 HD21 ASN 67 9.085 9.751 4.726 518 HD22 ASN 67 HD22 ASN 67 10.337 9.527 5.880 519 H TRP 68 HN TRP 68 7.005 7.873 2.278 520 HA TRP 68 HA TRP 68 6.501 7.223 5.076 521 HB2 TRP 68 HB2 TRP 68 5.594 9.292 3.971 522 HB3 TRP 68 HB1 TRP 68 4.647 8.260 2.914 523 HD1 TRP 68 HD1 TRP 68 4.724 9.738 6.368 524 HE1 TRP 68 HE1 TRP 68 2.477 9.206 7.572 525 HE3 TRP 68 HE3 TRP 68 2.758 6.411 3.054 526 HZ2 TRP 68 HZ2 TRP 68 0.268 7.605 7.175 527 HZ3 TRP 68 HZ3 TRP 68 0.571 5.437 3.535 528 HH2 TRP 68 HH2 TRP 68 -0.641 6.015 5.550 529 H ILE 69 HN ILE 69 5.515 6.249 1.808 530 HA ILE 69 HA ILE 69 3.628 4.310 2.525 531 HB ILE 69 HB ILE 69 5.336 4.251 0.011 532 HG12 ILE 69 HG12 ILE 69 2.607 5.450 0.426 533 HG13 ILE 69 HG11 ILE 69 4.096 6.401 0.349 534 HG21 ILE 69 HG21 ILE 69 3.445 2.990 -0.932 535 HG22 ILE 69 HG22 ILE 69 2.623 3.068 0.624 536 HG23 ILE 69 HG23 ILE 69 4.126 2.164 0.474 537 HD11 ILE 69 HD11 ILE 69 2.923 4.704 -1.846 538 HD12 ILE 69 HD12 ILE 69 4.437 5.604 -1.950 539 HD13 ILE 69 HD13 ILE 69 2.911 6.466 -1.755 540 H ARG 70 HN ARG 70 7.115 4.079 2.206 541 HA ARG 70 HA ARG 70 7.462 1.342 2.063 542 HB2 ARG 70 HB2 ARG 70 9.730 1.668 2.928 543 HB3 ARG 70 HB1 ARG 70 9.316 2.976 1.834 544 HG2 ARG 70 HG2 ARG 70 8.938 4.465 3.684 545 HG3 ARG 70 HG1 ARG 70 9.243 3.159 4.829 546 HD2 ARG 70 HD2 ARG 70 11.532 2.968 4.030 547 HD3 ARG 70 HD1 ARG 70 11.234 4.223 2.825 548 HE ARG 70 HE ARG 70 10.564 5.326 5.232 549 HH11 ARG 70 HH11 ARG 70 13.541 3.890 3.943 550 HH12 ARG 70 HH12 ARG 70 14.593 4.945 4.768 551 HH21 ARG 70 HH21 ARG 70 12.039 6.760 6.404 552 HH22 ARG 70 HH22 ARG 70 13.722 6.585 6.185 553 H ASN 71 HN ASN 71 6.818 3.278 4.915 554 HA ASN 71 HA ASN 71 7.057 0.976 6.664 555 HB2 ASN 71 HB2 ASN 71 7.785 3.237 7.456 556 HB3 ASN 71 HB1 ASN 71 6.151 3.796 7.226 557 HD21 ASN 71 HD21 ASN 71 4.668 3.557 8.813 558 HD22 ASN 71 HD22 ASN 71 4.961 2.706 10.288 559 H ALA 72 HN ALA 72 4.625 3.023 5.274 560 HA ALA 72 HA ALA 72 2.382 2.282 6.720 561 HB1 ALA 72 HB1 ALA 72 1.093 3.171 4.925 562 HB2 ALA 72 HB2 ALA 72 2.481 3.070 3.847 563 HB3 ALA 72 HB3 ALA 72 2.505 4.185 5.216 564 H THR 73 HN THR 73 3.469 0.992 3.572 565 HA THR 73 HA THR 73 1.289 -0.793 3.356 566 HB THR 73 HB THR 73 2.553 -0.090 1.348 567 HG1 THR 73 HG1 THR 73 1.941 -2.677 1.933 568 HG21 THR 73 HG21 THR 73 4.752 -1.082 0.814 569 HG22 THR 73 HG22 THR 73 4.799 -1.817 2.419 570 HG23 THR 73 HG23 THR 73 4.829 -0.062 2.251 571 H VAL 74 HN VAL 74 4.525 -1.222 4.669 572 HA VAL 74 HA VAL 74 4.326 -3.972 5.141 573 HB VAL 74 HB VAL 74 5.937 -1.826 6.579 574 HG11 VAL 74 HG11 VAL 74 7.266 -3.646 7.551 575 HG12 VAL 74 HG12 VAL 74 6.162 -4.826 6.845 576 HG13 VAL 74 HG13 VAL 74 5.589 -3.723 8.093 577 HG21 VAL 74 HG21 VAL 74 7.816 -2.747 5.340 578 HG22 VAL 74 HG22 VAL 74 6.542 -2.233 4.228 579 HG23 VAL 74 HG23 VAL 74 6.755 -3.947 4.610 580 H ASN 75 HN ASN 75 3.562 -1.175 7.147 581 HA ASN 75 HA ASN 75 2.769 -2.473 9.489 582 HB2 ASN 75 HB2 ASN 75 3.146 0.019 9.099 583 HB3 ASN 75 HB1 ASN 75 1.543 0.067 8.405 584 HD21 ASN 75 HD21 ASN 75 0.503 -1.892 10.524 585 HD22 ASN 75 HD22 ASN 75 0.366 -0.931 11.928 586 H ILE 76 HN ILE 76 0.848 -1.711 6.589 587 HA ILE 76 HA ILE 76 -1.600 -2.593 7.771 588 HB ILE 76 HB ILE 76 -1.056 -2.618 4.781 589 HG12 ILE 76 HG12 ILE 76 -0.515 -0.376 5.740 590 HG13 ILE 76 HG11 ILE 76 -1.904 -0.334 4.667 591 HG21 ILE 76 HG21 ILE 76 -3.615 -2.306 6.365 592 HG22 ILE 76 HG22 ILE 76 -3.097 -3.769 5.555 593 HG23 ILE 76 HG23 ILE 76 -3.489 -2.332 4.606 594 HD11 ILE 76 HD11 ILE 76 -2.189 1.062 6.625 595 HD12 ILE 76 HD12 ILE 76 -1.995 -0.345 7.678 596 HD13 ILE 76 HD13 ILE 76 -3.390 -0.229 6.590 597 H LEU 77 HN LEU 77 0.838 -4.215 5.782 598 HA LEU 77 HA LEU 77 -0.550 -6.685 5.698 599 HB2 LEU 77 HB2 LEU 77 2.330 -5.983 5.212 600 HB3 LEU 77 HB1 LEU 77 1.760 -7.641 5.222 601 HG LEU 77 HG LEU 77 0.067 -6.201 3.470 602 HD11 LEU 77 HD11 LEU 77 1.896 -4.551 3.272 603 HD12 LEU 77 HD12 LEU 77 1.697 -5.475 1.784 604 HD13 LEU 77 HD13 LEU 77 3.018 -5.857 2.890 605 HD21 LEU 77 HD21 LEU 77 0.546 -8.561 3.376 606 HD22 LEU 77 HD22 LEU 77 2.234 -8.220 3.007 607 HD23 LEU 77 HD23 LEU 77 0.977 -7.789 1.849 608 H GLU 78 HN GLU 78 1.797 -5.337 7.907 609 HA GLU 78 HA GLU 78 2.201 -7.545 9.578 610 HB2 GLU 78 HB2 GLU 78 2.090 -4.601 10.243 611 HB3 GLU 78 HB1 GLU 78 2.649 -5.809 11.376 612 HG2 GLU 78 HG2 GLU 78 3.904 -5.218 8.708 613 HG3 GLU 78 HG1 GLU 78 4.458 -4.584 10.252 614 H GLU 79 HN GLU 79 -0.257 -5.056 9.568 615 HA GLU 79 HA GLU 79 -1.624 -5.839 11.903 616 HB2 GLU 79 HB2 GLU 79 -1.694 -3.619 10.532 617 HB3 GLU 79 HB1 GLU 79 -2.920 -4.429 9.577 618 HG2 GLU 79 HG2 GLU 79 -3.939 -3.027 11.219 619 HG3 GLU 79 HG1 GLU 79 -4.284 -4.723 11.584 620 H MET 80 HN MET 80 -1.518 -7.230 8.752 621 HA MET 80 HA MET 80 -3.978 -8.740 9.249 622 HB2 MET 80 HB2 MET 80 -2.445 -8.242 6.698 623 HB3 MET 80 HB1 MET 80 -3.771 -9.388 6.812 624 HG2 MET 80 HG2 MET 80 -5.249 -7.514 7.510 625 HG3 MET 80 HG1 MET 80 -3.896 -6.428 7.263 626 HE1 MET 80 HE1 MET 80 -3.328 -6.572 3.420 627 HE2 MET 80 HE2 MET 80 -2.471 -7.380 4.737 628 HE3 MET 80 HE3 MET 80 -2.957 -5.701 4.907 629 H ASN 81 HN ASN 81 -0.840 -8.973 9.899 630 HA ASN 81 HA ASN 81 0.675 -10.592 10.317 631 HB2 ASN 81 HB2 ASN 81 -1.282 -11.461 11.663 632 HB3 ASN 81 HB1 ASN 81 -1.713 -12.477 10.293 633 HD21 ASN 81 HD21 ASN 81 -1.454 -14.359 11.468 634 HD22 ASN 81 HD22 ASN 81 0.070 -14.960 11.974 635 H LEU 82 HN LEU 82 0.189 -9.931 7.613 636 HA LEU 82 HA LEU 82 0.226 -12.395 6.072 637 HB2 LEU 82 HB2 LEU 82 0.219 -9.508 5.344 638 HB3 LEU 82 HB1 LEU 82 0.486 -10.758 4.121 639 HG LEU 82 HG LEU 82 -1.976 -10.197 5.768 640 HD11 LEU 82 HD11 LEU 82 -1.525 -10.343 2.792 641 HD12 LEU 82 HD12 LEU 82 -1.607 -8.861 3.725 642 HD13 LEU 82 HD13 LEU 82 -3.028 -9.903 3.605 643 HD21 LEU 82 HD21 LEU 82 -1.387 -12.523 3.982 644 HD22 LEU 82 HD22 LEU 82 -2.976 -12.131 4.664 645 HD23 LEU 82 HD23 LEU 82 -1.630 -12.585 5.732 646 H THR 83 HN THR 83 2.124 -12.779 7.438 647 HA THR 83 HA THR 83 4.605 -11.634 7.288 648 HB THR 83 HB THR 83 5.496 -14.021 7.624 649 HG1 THR 83 HG1 THR 83 3.340 -15.122 8.507 650 HG21 THR 83 HG21 THR 83 3.478 -12.804 9.521 651 HG22 THR 83 HG22 THR 83 5.225 -12.478 9.448 652 HG23 THR 83 HG23 THR 83 4.650 -14.058 9.944 653 H GLU 84 HN GLU 84 3.607 -14.355 5.290 654 HA GLU 84 HA GLU 84 5.814 -14.882 3.857 655 HB2 GLU 84 HB2 GLU 84 4.285 -15.436 1.914 656 HB3 GLU 84 HB1 GLU 84 3.989 -16.285 3.438 657 HG2 GLU 84 HG2 GLU 84 2.092 -14.836 3.863 658 HG3 GLU 84 HG1 GLU 84 2.484 -13.864 2.449 659 H LEU 85 HN LEU 85 3.492 -12.513 2.675 660 HA LEU 85 HA LEU 85 5.524 -11.645 0.811 661 HB2 LEU 85 HB2 LEU 85 3.861 -10.370 -0.401 662 HB3 LEU 85 HB1 LEU 85 3.340 -12.018 -0.175 663 HG LEU 85 HG LEU 85 2.291 -9.679 1.432 664 HD11 LEU 85 HD11 LEU 85 1.759 -9.405 -0.916 665 HD12 LEU 85 HD12 LEU 85 0.320 -9.834 0.010 666 HD13 LEU 85 HD13 LEU 85 1.126 -11.052 -0.977 667 HD21 LEU 85 HD21 LEU 85 0.419 -11.223 1.915 668 HD22 LEU 85 HD22 LEU 85 1.943 -11.781 2.581 669 HD23 LEU 85 HD23 LEU 85 1.302 -12.521 1.108 670 H CYS 86 HN CYS 86 4.109 -10.512 3.763 671 HA CYS 86 HA CYS 86 4.811 -7.782 3.510 672 HB2 CYS 86 HB2 CYS 86 3.331 -8.742 5.299 673 HB3 CYS 86 HB1 CYS 86 4.766 -9.492 5.951 674 HG CYS 86 HG CYS 86 4.500 -7.478 7.694 675 H LYS 87 HN LYS 87 6.524 -10.640 4.547 676 HA LYS 87 HA LYS 87 8.910 -9.396 5.376 677 HB2 LYS 87 HB2 LYS 87 8.259 -12.175 4.437 678 HB3 LYS 87 HB1 LYS 87 9.872 -11.705 4.964 679 HG2 LYS 87 HG2 LYS 87 9.150 -11.294 7.172 680 HG3 LYS 87 HG1 LYS 87 7.454 -11.302 6.704 681 HD2 LYS 87 HD2 LYS 87 8.206 -13.362 7.914 682 HD3 LYS 87 HD1 LYS 87 7.495 -13.660 6.329 683 HE2 LYS 87 HE2 LYS 87 9.599 -13.936 5.350 684 HE3 LYS 87 HE1 LYS 87 10.449 -13.441 6.827 685 HZ1 LYS 87 HZ1 LYS 87 8.782 -15.884 6.457 686 HZ2 LYS 87 HZ2 LYS 87 9.493 -15.467 7.890 687 HZ3 LYS 87 HZ3 LYS 87 10.452 -15.868 6.545 688 H MET 88 HN MET 88 7.601 -10.088 2.269 689 HA MET 88 HA MET 88 10.146 -9.743 0.976 690 HB2 MET 88 HB2 MET 88 7.352 -9.958 -0.159 691 HB3 MET 88 HB1 MET 88 8.803 -9.788 -1.133 692 HG2 MET 88 HG2 MET 88 8.170 -12.053 0.729 693 HG3 MET 88 HG1 MET 88 8.089 -12.111 -1.041 694 HE1 MET 88 HE1 MET 88 9.620 -14.262 -1.125 695 HE2 MET 88 HE2 MET 88 9.646 -14.284 0.640 696 HE3 MET 88 HE3 MET 88 11.154 -14.408 -0.267 697 H ALA 89 HN ALA 89 7.208 -7.965 1.621 698 HA ALA 89 HA ALA 89 7.833 -5.569 0.327 699 HB1 ALA 89 HB1 ALA 89 6.332 -4.485 1.933 700 HB2 ALA 89 HB2 ALA 89 6.424 -5.898 2.981 701 HB3 ALA 89 HB3 ALA 89 5.651 -6.025 1.402 702 H LYS 90 HN LYS 90 8.702 -6.745 3.508 703 HA LYS 90 HA LYS 90 10.236 -4.534 4.397 704 HB2 LYS 90 HB2 LYS 90 10.319 -7.450 5.140 705 HB3 LYS 90 HB1 LYS 90 11.217 -6.199 5.976 706 HG2 LYS 90 HG2 LYS 90 9.216 -5.189 6.760 707 HG3 LYS 90 HG1 LYS 90 8.232 -6.209 5.710 708 HD2 LYS 90 HD2 LYS 90 8.941 -8.198 6.929 709 HD3 LYS 90 HD1 LYS 90 9.987 -7.214 7.946 710 HE2 LYS 90 HE2 LYS 90 7.080 -6.655 7.735 711 HE3 LYS 90 HE1 LYS 90 7.657 -7.927 8.817 712 HZ1 LYS 90 HZ1 LYS 90 7.353 -5.814 9.943 713 HZ2 LYS 90 HZ2 LYS 90 8.559 -5.070 8.957 714 HZ3 LYS 90 HZ3 LYS 90 8.952 -6.304 9.997 715 H ALA 91 HN ALA 91 10.892 -6.741 1.936 716 HA ALA 91 HA ALA 91 13.770 -6.315 2.206 717 HB1 ALA 91 HB1 ALA 91 13.081 -8.674 2.430 718 HB2 ALA 91 HB2 ALA 91 14.057 -8.431 0.985 719 HB3 ALA 91 HB3 ALA 91 12.306 -8.594 0.855 720 H GLU 92 HN GLU 92 11.088 -5.440 0.505 721 HA GLU 92 HA GLU 92 12.599 -4.877 -1.971 722 HB2 GLU 92 HB2 GLU 92 9.773 -5.635 -1.547 723 HB3 GLU 92 HB1 GLU 92 10.301 -4.995 -3.086 724 HG2 GLU 92 HG2 GLU 92 11.968 -6.971 -3.051 725 HG3 GLU 92 HG1 GLU 92 11.022 -7.575 -1.710 726 H MET 93 HN MET 93 9.780 -3.821 -0.070 727 HA MET 93 HA MET 93 9.950 -1.159 -1.163 728 HB2 MET 93 HB2 MET 93 7.985 -2.575 0.630 729 HB3 MET 93 HB1 MET 93 8.088 -0.810 0.745 730 HG2 MET 93 HG2 MET 93 7.654 -2.429 -1.706 731 HG3 MET 93 HG1 MET 93 6.342 -1.801 -0.746 732 HE1 MET 93 HE1 MET 93 7.008 2.099 -1.186 733 HE2 MET 93 HE2 MET 93 7.852 1.131 0.009 734 HE3 MET 93 HE3 MET 93 6.127 0.874 -0.265 735 H MET 94 HN MET 94 11.453 -2.892 1.089 736 HA MET 94 HA MET 94 12.622 -0.506 2.292 737 HB2 MET 94 HB2 MET 94 12.118 -3.174 3.644 738 HB3 MET 94 HB1 MET 94 13.123 -1.905 4.315 739 HG2 MET 94 HG2 MET 94 10.182 -1.709 3.746 740 HG3 MET 94 HG1 MET 94 10.906 -2.006 5.326 741 HE1 MET 94 HE1 MET 94 12.376 -0.200 6.646 742 HE2 MET 94 HE2 MET 94 12.761 1.397 6.019 743 HE3 MET 94 HE3 MET 94 13.458 -0.034 5.262 744 H GLU 95 HN GLU 95 14.280 -0.497 0.816 745 HA GLU 95 HA GLU 95 15.749 -2.921 0.309 746 HB2 GLU 95 HB2 GLU 95 16.563 -0.140 -0.530 747 HB3 GLU 95 HB1 GLU 95 17.030 -1.665 -1.271 748 HG2 GLU 95 HG2 GLU 95 15.450 -1.087 -2.770 749 HG3 GLU 95 HG1 GLU 95 14.402 -1.818 -1.543 750 H ASP 96 HN ASP 96 15.555 -1.314 2.751 751 HA ASP 96 HA ASP 96 18.320 -0.788 3.477 752 HB2 ASP 96 HB2 ASP 96 16.642 0.813 4.153 753 HB3 ASP 96 HB1 ASP 96 15.748 -0.438 4.998 754 H GLY 97 HN GLY 97 19.492 -2.150 4.610 755 HA2 GLY 97 HA2 GLY 97 19.357 -3.773 6.533 756 HA3 GLY 97 HA1 GLY 97 18.267 -4.656 5.456 757 H GLN 98 HN GLN 98 19.321 -6.302 4.628 758 HA GLN 98 HA GLN 98 21.844 -5.713 3.298 759 HB2 GLN 98 HB2 GLN 98 21.330 -8.108 5.065 760 HB3 GLN 98 HB1 GLN 98 22.686 -7.929 3.962 761 HG2 GLN 98 HG2 GLN 98 23.532 -6.047 5.223 762 HG3 GLN 98 HG1 GLN 98 22.123 -6.083 6.272 763 HE21 GLN 98 HE21 GLN 98 23.694 -9.028 5.243 764 HE22 GLN 98 HE22 GLN 98 24.365 -9.424 6.771 Start of MODEL 8 1 H MET 3 HT1 MET 3 13.622 4.538 -0.581 2 HA MET 3 HA MET 3 14.140 6.449 -1.866 3 HB2 MET 3 HB2 MET 3 15.895 4.217 -2.878 4 HB3 MET 3 HB1 MET 3 16.352 5.899 -2.642 5 HG2 MET 3 HG2 MET 3 15.938 5.582 -0.237 6 HG3 MET 3 HG1 MET 3 15.697 3.875 -0.530 7 HE1 MET 3 HE1 MET 3 19.718 6.068 -1.067 8 HE2 MET 3 HE2 MET 3 18.262 6.803 -0.393 9 HE3 MET 3 HE3 MET 3 18.333 6.391 -2.106 10 H THR 4 HN THR 4 14.124 3.574 -3.896 11 HA THR 4 HA THR 4 13.572 5.225 -6.166 12 HB THR 4 HB THR 4 13.409 3.085 -7.424 13 HG1 THR 4 HG1 THR 4 14.434 2.067 -4.921 14 HG21 THR 4 HG21 THR 4 15.403 4.452 -7.487 15 HG22 THR 4 HG22 THR 4 15.883 2.755 -7.442 16 HG23 THR 4 HG23 THR 4 15.981 3.739 -5.982 17 H SER 5 HN SER 5 11.759 5.750 -6.942 18 HA SER 5 HA SER 5 9.334 5.098 -5.604 19 HB2 SER 5 HB2 SER 5 9.672 7.372 -6.452 20 HB3 SER 5 HB1 SER 5 9.740 6.794 -8.108 21 HG SER 5 HG SER 5 7.654 7.593 -6.746 22 HA PRO 6 HA PRO 6 7.969 2.955 -9.749 23 HB2 PRO 6 HB2 PRO 6 10.535 1.987 -10.857 24 HB3 PRO 6 HB1 PRO 6 9.141 2.676 -11.700 25 HG2 PRO 6 HG2 PRO 6 11.370 4.094 -11.413 26 HG3 PRO 6 HG1 PRO 6 9.782 4.864 -11.236 27 HD2 PRO 6 HD2 PRO 6 11.683 3.943 -9.108 28 HD3 PRO 6 HD1 PRO 6 10.770 5.461 -9.207 29 H GLN 7 HN GLN 7 10.827 1.783 -8.097 30 HA GLN 7 HA GLN 7 9.965 -0.945 -8.289 31 HB2 GLN 7 HB2 GLN 7 12.229 0.356 -6.799 32 HB3 GLN 7 HB1 GLN 7 11.824 -1.332 -6.561 33 HG2 GLN 7 HG2 GLN 7 13.683 -1.068 -8.141 34 HG3 GLN 7 HG1 GLN 7 12.286 -1.804 -8.897 35 HE21 GLN 7 HE21 GLN 7 11.313 -0.783 -10.595 36 HE22 GLN 7 HE22 GLN 7 11.941 0.653 -11.312 37 H LEU 8 HN LEU 8 9.708 1.628 -5.929 38 HA LEU 8 HA LEU 8 8.638 0.127 -3.825 39 HB2 LEU 8 HB2 LEU 8 9.247 2.430 -3.479 40 HB3 LEU 8 HB1 LEU 8 8.108 2.961 -4.702 41 HG LEU 8 HG LEU 8 6.679 1.477 -2.747 42 HD11 LEU 8 HD11 LEU 8 8.322 3.693 -1.541 43 HD12 LEU 8 HD12 LEU 8 8.557 1.984 -1.279 44 HD13 LEU 8 HD13 LEU 8 7.054 2.749 -0.750 45 HD21 LEU 8 HD21 LEU 8 5.754 3.177 -4.231 46 HD22 LEU 8 HD22 LEU 8 6.695 4.423 -3.415 47 HD23 LEU 8 HD23 LEU 8 5.422 3.564 -2.543 48 H GLU 9 HN GLU 9 7.063 1.871 -6.478 49 HA GLU 9 HA GLU 9 4.437 1.089 -5.913 50 HB2 GLU 9 HB2 GLU 9 5.072 2.888 -7.453 51 HB3 GLU 9 HB1 GLU 9 5.611 1.691 -8.634 52 HG2 GLU 9 HG2 GLU 9 3.225 0.756 -8.479 53 HG3 GLU 9 HG1 GLU 9 2.821 2.277 -7.685 54 H TRP 10 HN TRP 10 6.922 -0.392 -7.916 55 HA TRP 10 HA TRP 10 5.475 -2.545 -8.871 56 HB2 TRP 10 HB2 TRP 10 7.676 -2.129 -9.761 57 HB3 TRP 10 HB1 TRP 10 8.405 -2.296 -8.169 58 HD1 TRP 10 HD1 TRP 10 6.915 -4.438 -10.987 59 HE1 TRP 10 HE1 TRP 10 7.778 -6.839 -10.739 60 HE3 TRP 10 HE3 TRP 10 9.313 -3.959 -6.514 61 HZ2 TRP 10 HZ2 TRP 10 9.261 -8.352 -8.859 62 HZ3 TRP 10 HZ3 TRP 10 10.419 -5.926 -5.550 63 HH2 TRP 10 HH2 TRP 10 10.388 -8.070 -6.689 64 H THR 11 HN THR 11 7.333 -2.244 -5.842 65 HA THR 11 HA THR 11 6.800 -4.876 -5.018 66 HB THR 11 HB THR 11 7.307 -2.558 -3.102 67 HG1 THR 11 HG1 THR 11 8.946 -2.707 -4.830 68 HG21 THR 11 HG21 THR 11 8.374 -4.354 -1.775 69 HG22 THR 11 HG22 THR 11 7.870 -5.529 -2.987 70 HG23 THR 11 HG23 THR 11 6.659 -4.652 -2.049 71 H LEU 12 HN LEU 12 5.107 -1.849 -4.477 72 HA LEU 12 HA LEU 12 3.086 -2.664 -2.778 73 HB2 LEU 12 HB2 LEU 12 3.026 -0.803 -5.106 74 HB3 LEU 12 HB1 LEU 12 1.693 -0.929 -3.970 75 HG LEU 12 HG LEU 12 4.479 0.109 -3.395 76 HD11 LEU 12 HD11 LEU 12 2.988 1.610 -4.737 77 HD12 LEU 12 HD12 LEU 12 3.398 2.248 -3.154 78 HD13 LEU 12 HD13 LEU 12 1.814 1.528 -3.423 79 HD21 LEU 12 HD21 LEU 12 3.572 0.693 -1.210 80 HD22 LEU 12 HD22 LEU 12 3.550 -1.046 -1.476 81 HD23 LEU 12 HD23 LEU 12 2.056 -0.112 -1.620 82 H GLN 13 HN GLN 13 3.042 -2.531 -6.348 83 HA GLN 13 HA GLN 13 0.523 -3.699 -6.617 84 HB2 GLN 13 HB2 GLN 13 0.944 -3.856 -9.028 85 HB3 GLN 13 HB1 GLN 13 1.615 -2.361 -8.402 86 HG2 GLN 13 HG2 GLN 13 3.801 -3.213 -8.443 87 HG3 GLN 13 HG1 GLN 13 3.246 -4.793 -8.964 88 HE21 GLN 13 HE21 GLN 13 1.287 -3.828 -10.810 89 HE22 GLN 13 HE22 GLN 13 2.117 -3.169 -12.163 90 H THR 14 HN THR 14 3.721 -5.168 -6.642 91 HA THR 14 HA THR 14 2.942 -7.718 -7.477 92 HB THR 14 HB THR 14 5.268 -7.072 -5.632 93 HG1 THR 14 HG1 THR 14 5.537 -5.780 -7.397 94 HG21 THR 14 HG21 THR 14 6.319 -8.970 -6.760 95 HG22 THR 14 HG22 THR 14 4.844 -9.208 -7.704 96 HG23 THR 14 HG23 THR 14 4.820 -9.481 -5.954 97 H LEU 15 HN LEU 15 3.103 -6.305 -4.235 98 HA LEU 15 HA LEU 15 2.401 -8.714 -2.853 99 HB2 LEU 15 HB2 LEU 15 2.196 -5.838 -1.986 100 HB3 LEU 15 HB1 LEU 15 2.075 -7.222 -0.930 101 HG LEU 15 HG LEU 15 4.576 -6.594 -2.502 102 HD11 LEU 15 HD11 LEU 15 3.939 -5.904 0.356 103 HD12 LEU 15 HD12 LEU 15 4.015 -4.761 -0.985 104 HD13 LEU 15 HD13 LEU 15 5.467 -5.631 -0.495 105 HD21 LEU 15 HD21 LEU 15 4.072 -8.316 -0.086 106 HD22 LEU 15 HD22 LEU 15 5.624 -8.036 -0.843 107 HD23 LEU 15 HD23 LEU 15 4.363 -8.911 -1.724 108 H LEU 16 HN LEU 16 0.673 -5.846 -3.972 109 HA LEU 16 HA LEU 16 -1.801 -6.673 -2.808 110 HB2 LEU 16 HB2 LEU 16 -1.287 -4.462 -4.814 111 HB3 LEU 16 HB1 LEU 16 -2.757 -4.722 -3.891 112 HG LEU 16 HG LEU 16 -0.097 -3.993 -2.683 113 HD11 LEU 16 HD11 LEU 16 -1.130 -1.833 -2.242 114 HD12 LEU 16 HD12 LEU 16 -2.579 -2.347 -3.103 115 HD13 LEU 16 HD13 LEU 16 -1.055 -2.165 -3.972 116 HD21 LEU 16 HD21 LEU 16 -1.402 -3.652 -0.651 117 HD22 LEU 16 HD22 LEU 16 -1.465 -5.328 -1.197 118 HD23 LEU 16 HD23 LEU 16 -2.841 -4.255 -1.472 119 H GLU 17 HN GLU 17 -0.205 -7.622 -5.585 120 HA GLU 17 HA GLU 17 -2.684 -8.438 -6.834 121 HB2 GLU 17 HB2 GLU 17 0.180 -8.680 -7.723 122 HB3 GLU 17 HB1 GLU 17 -1.131 -9.461 -8.594 123 HG2 GLU 17 HG2 GLU 17 -2.242 -7.192 -8.783 124 HG3 GLU 17 HG1 GLU 17 -0.756 -6.477 -8.187 125 H GLN 18 HN GLN 18 -0.791 -9.485 -4.456 126 HA GLN 18 HA GLN 18 -1.394 -12.319 -4.876 127 HB2 GLN 18 HB2 GLN 18 0.127 -10.914 -2.663 128 HB3 GLN 18 HB1 GLN 18 -0.038 -12.664 -2.833 129 HG2 GLN 18 HG2 GLN 18 1.212 -12.614 -4.882 130 HG3 GLN 18 HG1 GLN 18 1.265 -10.856 -4.846 131 HE21 GLN 18 HE21 GLN 18 3.379 -10.688 -4.817 132 HE22 GLN 18 HE22 GLN 18 4.421 -11.185 -3.516 133 H LEU 19 HN LEU 19 -1.838 -9.698 -2.561 134 HA LEU 19 HA LEU 19 -4.151 -11.094 -1.426 135 HB2 LEU 19 HB2 LEU 19 -3.856 -9.732 0.494 136 HB3 LEU 19 HB1 LEU 19 -2.222 -10.107 -0.014 137 HG LEU 19 HG LEU 19 -2.746 -7.778 -1.327 138 HD11 LEU 19 HD11 LEU 19 -4.762 -7.393 -0.297 139 HD12 LEU 19 HD12 LEU 19 -3.607 -6.179 0.257 140 HD13 LEU 19 HD13 LEU 19 -4.075 -7.519 1.329 141 HD21 LEU 19 HD21 LEU 19 -0.685 -8.244 -0.275 142 HD22 LEU 19 HD22 LEU 19 -1.401 -8.062 1.351 143 HD23 LEU 19 HD23 LEU 19 -1.304 -6.683 0.229 144 H ASN 20 HN ASN 20 -6.114 -10.456 -2.318 145 HA ASN 20 HA ASN 20 -6.658 -7.725 -2.582 146 HB2 ASN 20 HB2 ASN 20 -7.135 -7.626 -5.084 147 HB3 ASN 20 HB1 ASN 20 -5.445 -7.637 -4.584 148 HD21 ASN 20 HD21 ASN 20 -4.346 -9.598 -4.728 149 HD22 ASN 20 HD22 ASN 20 -4.740 -10.742 -5.988 150 H GLU 21 HN GLU 21 -7.894 -10.595 -4.287 151 HA GLU 21 HA GLU 21 -10.408 -10.047 -4.777 152 HB2 GLU 21 HB2 GLU 21 -9.254 -12.207 -5.134 153 HB3 GLU 21 HB1 GLU 21 -9.580 -12.627 -3.462 154 HG2 GLU 21 HG2 GLU 21 -11.965 -12.563 -3.901 155 HG3 GLU 21 HG1 GLU 21 -11.650 -12.099 -5.575 156 H ASP 22 HN ASP 22 -9.934 -11.731 -1.618 157 HA ASP 22 HA ASP 22 -12.141 -10.051 -0.559 158 HB2 ASP 22 HB2 ASP 22 -12.498 -12.566 -0.587 159 HB3 ASP 22 HB1 ASP 22 -11.126 -12.721 0.499 160 H GLU 23 HN GLU 23 -9.041 -10.174 -0.711 161 HA GLU 23 HA GLU 23 -8.222 -10.103 2.075 162 HB2 GLU 23 HB2 GLU 23 -6.526 -9.566 -0.331 163 HB3 GLU 23 HB1 GLU 23 -6.031 -10.192 1.236 164 HG2 GLU 23 HG2 GLU 23 -7.824 -11.585 -0.693 165 HG3 GLU 23 HG1 GLU 23 -6.086 -11.912 -0.574 166 H LEU 24 HN LEU 24 -8.546 -7.924 -0.670 167 HA LEU 24 HA LEU 24 -7.053 -5.808 0.482 168 HB2 LEU 24 HB2 LEU 24 -7.810 -6.362 -2.023 169 HB3 LEU 24 HB1 LEU 24 -9.112 -5.300 -1.576 170 HG LEU 24 HG LEU 24 -7.515 -3.507 -1.072 171 HD11 LEU 24 HD11 LEU 24 -5.480 -5.495 -2.079 172 HD12 LEU 24 HD12 LEU 24 -5.552 -4.810 -0.451 173 HD13 LEU 24 HD13 LEU 24 -5.174 -3.785 -1.829 174 HD21 LEU 24 HD21 LEU 24 -6.850 -3.082 -3.384 175 HD22 LEU 24 HD22 LEU 24 -8.510 -3.670 -3.276 176 HD23 LEU 24 HD23 LEU 24 -7.219 -4.758 -3.783 177 H LYS 25 HN LYS 25 -10.257 -6.933 0.722 178 HA LYS 25 HA LYS 25 -11.728 -4.688 1.458 179 HB2 LYS 25 HB2 LYS 25 -11.908 -7.531 2.464 180 HB3 LYS 25 HB1 LYS 25 -13.171 -6.318 2.638 181 HG2 LYS 25 HG2 LYS 25 -13.558 -6.253 0.298 182 HG3 LYS 25 HG1 LYS 25 -12.107 -7.201 -0.036 183 HD2 LYS 25 HD2 LYS 25 -13.045 -9.114 0.997 184 HD3 LYS 25 HD1 LYS 25 -14.493 -8.236 1.513 185 HE2 LYS 25 HE2 LYS 25 -15.014 -7.852 -0.898 186 HE3 LYS 25 HE1 LYS 25 -13.616 -8.825 -1.333 187 HZ1 LYS 25 HZ1 LYS 25 -14.718 -10.662 -0.001 188 HZ2 LYS 25 HZ2 LYS 25 -15.430 -10.252 -1.449 189 HZ3 LYS 25 HZ3 LYS 25 -16.119 -9.715 -0.018 190 H SER 26 HN SER 26 -9.581 -6.807 3.397 191 HA SER 26 HA SER 26 -9.982 -5.597 5.858 192 HB2 SER 26 HB2 SER 26 -7.837 -7.200 4.567 193 HB3 SER 26 HB1 SER 26 -7.896 -6.841 6.272 194 HG SER 26 HG SER 26 -10.053 -7.863 6.187 195 H PHE 27 HN PHE 27 -7.454 -5.468 3.395 196 HA PHE 27 HA PHE 27 -5.598 -3.799 4.542 197 HB2 PHE 27 HB2 PHE 27 -5.294 -5.158 2.532 198 HB3 PHE 27 HB1 PHE 27 -6.360 -4.088 1.649 199 HD1 PHE 27 HD2 PHE 27 -5.513 -1.633 1.339 200 HD2 PHE 27 HD1 PHE 27 -3.008 -4.816 2.636 201 HE1 PHE 27 HE2 PHE 27 -3.529 -0.318 0.720 202 HE2 PHE 27 HE1 PHE 27 -1.023 -3.504 2.018 203 HZ PHE 27 HZ PHE 27 -1.281 -1.253 1.060 204 H LYS 28 HN LYS 28 -8.257 -2.857 2.354 205 HA LYS 28 HA LYS 28 -7.791 -0.099 2.214 206 HB2 LYS 28 HB2 LYS 28 -10.457 -1.549 2.135 207 HB3 LYS 28 HB1 LYS 28 -10.196 0.098 1.598 208 HG2 LYS 28 HG2 LYS 28 -8.766 -0.688 -0.204 209 HG3 LYS 28 HG1 LYS 28 -8.906 -2.344 0.384 210 HD2 LYS 28 HD2 LYS 28 -11.350 -2.257 -0.043 211 HD3 LYS 28 HD1 LYS 28 -11.163 -0.629 -0.697 212 HE2 LYS 28 HE2 LYS 28 -9.660 -1.513 -2.433 213 HE3 LYS 28 HE1 LYS 28 -9.856 -3.129 -1.760 214 HZ1 LYS 28 HZ1 LYS 28 -12.231 -3.009 -2.339 215 HZ2 LYS 28 HZ2 LYS 28 -11.248 -2.853 -3.683 216 HZ3 LYS 28 HZ3 LYS 28 -12.002 -1.495 -3.039 217 H SER 29 HN SER 29 -9.708 -1.980 4.493 218 HA SER 29 HA SER 29 -10.889 0.075 5.905 219 HB2 SER 29 HB2 SER 29 -10.217 -2.734 6.238 220 HB3 SER 29 HB1 SER 29 -11.153 -1.946 7.468 221 HG SER 29 HG SER 29 -11.843 -2.967 5.032 222 H LEU 30 HN LEU 30 -8.184 -2.027 6.639 223 HA LEU 30 HA LEU 30 -7.415 -1.059 9.149 224 HB2 LEU 30 HB2 LEU 30 -5.768 -2.167 6.926 225 HB3 LEU 30 HB1 LEU 30 -5.171 -1.984 8.561 226 HG LEU 30 HG LEU 30 -7.600 -3.618 7.864 227 HD11 LEU 30 HD11 LEU 30 -4.725 -4.476 8.207 228 HD12 LEU 30 HD12 LEU 30 -5.627 -4.426 6.694 229 HD13 LEU 30 HD13 LEU 30 -6.106 -5.559 7.964 230 HD21 LEU 30 HD21 LEU 30 -7.394 -2.913 10.210 231 HD22 LEU 30 HD22 LEU 30 -5.770 -3.608 10.254 232 HD23 LEU 30 HD23 LEU 30 -7.164 -4.655 10.039 233 H LEU 31 HN LEU 31 -6.559 0.034 5.982 234 HA LEU 31 HA LEU 31 -4.704 2.032 6.672 235 HB2 LEU 31 HB2 LEU 31 -4.580 1.420 4.521 236 HB3 LEU 31 HB1 LEU 31 -6.283 1.153 4.337 237 HG LEU 31 HG LEU 31 -6.362 3.793 4.352 238 HD11 LEU 31 HD11 LEU 31 -4.383 4.821 3.339 239 HD12 LEU 31 HD12 LEU 31 -3.477 3.341 3.675 240 HD13 LEU 31 HD13 LEU 31 -4.165 4.290 4.999 241 HD21 LEU 31 HD21 LEU 31 -5.331 2.219 1.999 242 HD22 LEU 31 HD22 LEU 31 -6.031 3.841 1.921 243 HD23 LEU 31 HD23 LEU 31 -7.015 2.483 2.471 244 H TRP 32 HN TRP 32 -8.166 1.922 6.700 245 HA TRP 32 HA TRP 32 -8.355 4.792 7.026 246 HB2 TRP 32 HB2 TRP 32 -9.928 2.907 5.855 247 HB3 TRP 32 HB1 TRP 32 -10.806 3.221 7.364 248 HD1 TRP 32 HD1 TRP 32 -12.346 5.326 7.265 249 HE1 TRP 32 HE1 TRP 32 -12.553 7.332 5.665 250 HE3 TRP 32 HE3 TRP 32 -8.366 4.360 4.383 251 HZ2 TRP 32 HZ2 TRP 32 -11.144 8.381 3.428 252 HZ3 TRP 32 HZ3 TRP 32 -7.785 5.910 2.493 253 HH2 TRP 32 HH2 TRP 32 -9.170 7.876 2.041 254 H ALA 33 HN ALA 33 -7.868 2.089 8.866 255 HA ALA 33 HA ALA 33 -9.353 2.931 11.207 256 HB1 ALA 33 HB1 ALA 33 -7.521 0.569 10.839 257 HB2 ALA 33 HB2 ALA 33 -9.271 0.558 10.622 258 HB3 ALA 33 HB3 ALA 33 -8.580 0.858 12.219 259 H PHE 34 HN PHE 34 -6.072 3.026 10.009 260 HA PHE 34 HA PHE 34 -5.075 3.686 12.617 261 HB2 PHE 34 HB2 PHE 34 -2.869 3.583 11.656 262 HB3 PHE 34 HB1 PHE 34 -3.787 2.373 10.785 263 HD1 PHE 34 HD1 PHE 34 -2.570 5.840 10.504 264 HD2 PHE 34 HD2 PHE 34 -3.820 2.332 8.516 265 HE1 PHE 34 HE1 PHE 34 -1.838 6.817 8.363 266 HE2 PHE 34 HE2 PHE 34 -3.113 3.302 6.360 267 HZ PHE 34 HZ PHE 34 -2.153 5.556 6.286 268 HA PRO 35 HA PRO 35 -5.750 8.074 12.177 269 HB2 PRO 35 HB2 PRO 35 -3.471 8.983 13.469 270 HB3 PRO 35 HB1 PRO 35 -4.959 8.525 14.294 271 HG2 PRO 35 HG2 PRO 35 -2.436 6.993 13.949 272 HG3 PRO 35 HG1 PRO 35 -3.567 7.000 15.312 273 HD2 PRO 35 HD2 PRO 35 -3.448 4.991 13.482 274 HD3 PRO 35 HD1 PRO 35 -4.937 5.426 14.330 275 H LEU 36 HN LEU 36 -5.442 8.890 10.238 276 HA LEU 36 HA LEU 36 -3.390 8.153 8.507 277 HB2 LEU 36 HB2 LEU 36 -5.006 10.625 8.378 278 HB3 LEU 36 HB1 LEU 36 -4.155 9.895 7.048 279 HG LEU 36 HG LEU 36 -6.675 8.874 8.361 280 HD11 LEU 36 HD11 LEU 36 -7.606 9.082 6.135 281 HD12 LEU 36 HD12 LEU 36 -6.032 9.550 5.517 282 HD13 LEU 36 HD13 LEU 36 -6.890 10.637 6.607 283 HD21 LEU 36 HD21 LEU 36 -6.553 6.945 6.856 284 HD22 LEU 36 HD22 LEU 36 -5.182 6.966 7.964 285 HD23 LEU 36 HD23 LEU 36 -4.973 7.482 6.290 286 H GLU 37 HN GLU 37 -1.472 8.898 8.186 287 HA GLU 37 HA GLU 37 -0.556 11.066 9.807 288 HB2 GLU 37 HB2 GLU 37 0.904 9.143 7.993 289 HB3 GLU 37 HB1 GLU 37 1.687 10.344 9.027 290 HG2 GLU 37 HG2 GLU 37 0.767 9.347 11.000 291 HG3 GLU 37 HG1 GLU 37 -0.189 8.237 10.019 292 H ASP 38 HN ASP 38 1.450 12.121 8.119 293 HA ASP 38 HA ASP 38 -0.148 14.217 7.184 294 HB2 ASP 38 HB2 ASP 38 2.229 14.371 8.012 295 HB3 ASP 38 HB1 ASP 38 2.686 13.796 6.396 296 H VAL 39 HN VAL 39 -0.377 15.130 5.251 297 HA VAL 39 HA VAL 39 -1.082 15.364 3.150 298 HB VAL 39 HB VAL 39 0.894 13.207 2.736 299 HG11 VAL 39 HG11 VAL 39 -0.693 13.210 0.768 300 HG12 VAL 39 HG12 VAL 39 0.877 13.824 0.259 301 HG13 VAL 39 HG13 VAL 39 -0.441 14.945 0.590 302 HG21 VAL 39 HG21 VAL 39 2.321 15.035 1.822 303 HG22 VAL 39 HG22 VAL 39 1.861 15.245 3.512 304 HG23 VAL 39 HG23 VAL 39 1.045 16.171 2.253 305 H LEU 40 HN LEU 40 -1.617 12.340 4.632 306 HA LEU 40 HA LEU 40 -3.099 11.044 2.627 307 HB2 LEU 40 HB2 LEU 40 -3.147 10.764 5.582 308 HB3 LEU 40 HB1 LEU 40 -4.136 9.762 4.531 309 HG LEU 40 HG LEU 40 -1.118 9.888 4.497 310 HD11 LEU 40 HD11 LEU 40 -3.009 7.784 5.520 311 HD12 LEU 40 HD12 LEU 40 -2.055 8.883 6.518 312 HD13 LEU 40 HD13 LEU 40 -1.247 7.696 5.491 313 HD21 LEU 40 HD21 LEU 40 -1.320 7.908 3.063 314 HD22 LEU 40 HD22 LEU 40 -2.035 9.328 2.311 315 HD23 LEU 40 HD23 LEU 40 -3.073 8.101 3.044 316 H GLN 41 HN GLN 41 -4.092 13.640 4.634 317 HA GLN 41 HA GLN 41 -6.847 13.086 4.277 318 HB2 GLN 41 HB2 GLN 41 -5.385 15.452 5.370 319 HB3 GLN 41 HB1 GLN 41 -7.095 15.597 4.983 320 HG2 GLN 41 HG2 GLN 41 -5.977 13.460 6.772 321 HG3 GLN 41 HG1 GLN 41 -6.568 15.014 7.362 322 HE21 GLN 41 HE21 GLN 41 -8.176 14.026 8.549 323 HE22 GLN 41 HE22 GLN 41 -9.582 13.346 7.820 324 H LYS 42 HN LYS 42 -6.998 12.715 2.204 325 HA LYS 42 HA LYS 42 -8.058 14.510 0.438 326 HB2 LYS 42 HB2 LYS 42 -6.349 14.723 -1.354 327 HB3 LYS 42 HB1 LYS 42 -5.833 15.547 0.109 328 HG2 LYS 42 HG2 LYS 42 -4.236 13.919 0.604 329 HG3 LYS 42 HG1 LYS 42 -4.992 12.754 -0.479 330 HD2 LYS 42 HD2 LYS 42 -3.646 15.289 -1.439 331 HD3 LYS 42 HD1 LYS 42 -2.802 13.749 -1.289 332 HE2 LYS 42 HE2 LYS 42 -4.528 12.752 -2.829 333 HE3 LYS 42 HE1 LYS 42 -5.164 14.373 -3.076 334 HZ1 LYS 42 HZ1 LYS 42 -2.980 15.023 -3.956 335 HZ2 LYS 42 HZ2 LYS 42 -3.666 13.761 -4.841 336 HZ3 LYS 42 HZ3 LYS 42 -2.423 13.441 -3.765 337 H THR 43 HN THR 43 -6.483 11.515 1.198 338 HA THR 43 HA THR 43 -6.594 9.993 -1.022 339 HB THR 43 HB THR 43 -7.421 9.040 1.734 340 HG1 THR 43 HG1 THR 43 -5.504 9.890 2.175 341 HG21 THR 43 HG21 THR 43 -6.361 6.938 1.010 342 HG22 THR 43 HG22 THR 43 -5.999 7.659 -0.557 343 HG23 THR 43 HG23 THR 43 -7.674 7.384 -0.082 344 HA PRO 44 HA PRO 44 -11.004 10.080 -1.797 345 HB2 PRO 44 HB2 PRO 44 -10.873 9.181 -4.340 346 HB3 PRO 44 HB1 PRO 44 -10.446 10.840 -3.911 347 HG2 PRO 44 HG2 PRO 44 -8.656 8.509 -4.458 348 HG3 PRO 44 HG1 PRO 44 -8.438 10.200 -4.929 349 HD2 PRO 44 HD2 PRO 44 -7.187 9.020 -2.774 350 HD3 PRO 44 HD1 PRO 44 -7.514 10.756 -2.926 351 H TRP 45 HN TRP 45 -11.992 8.471 -0.646 352 HA TRP 45 HA TRP 45 -11.220 5.749 -0.793 353 HB2 TRP 45 HB2 TRP 45 -12.290 6.686 1.226 354 HB3 TRP 45 HB1 TRP 45 -13.771 6.955 0.318 355 HD1 TRP 45 HD1 TRP 45 -15.276 4.804 -0.224 356 HE1 TRP 45 HE1 TRP 45 -15.402 2.499 0.802 357 HE3 TRP 45 HE3 TRP 45 -10.820 4.764 2.266 358 HZ2 TRP 45 HZ2 TRP 45 -13.865 0.838 2.452 359 HZ3 TRP 45 HZ3 TRP 45 -10.233 2.730 3.543 360 HH2 TRP 45 HH2 TRP 45 -11.720 0.823 3.626 361 H SER 46 HN SER 46 -13.372 7.691 -2.663 362 HA SER 46 HA SER 46 -14.989 5.683 -3.767 363 HB2 SER 46 HB2 SER 46 -15.462 8.085 -4.046 364 HB3 SER 46 HB1 SER 46 -14.019 8.260 -5.040 365 HG SER 46 HG SER 46 -15.459 6.299 -6.092 366 H GLU 47 HN GLU 47 -11.736 6.746 -4.517 367 HA GLU 47 HA GLU 47 -11.479 5.125 -6.852 368 HB2 GLU 47 HB2 GLU 47 -9.436 6.478 -5.088 369 HB3 GLU 47 HB1 GLU 47 -9.041 5.628 -6.572 370 HG2 GLU 47 HG2 GLU 47 -10.852 8.021 -6.383 371 HG3 GLU 47 HG1 GLU 47 -9.156 8.067 -6.866 372 H VAL 48 HN VAL 48 -10.495 4.962 -3.485 373 HA VAL 48 HA VAL 48 -9.056 2.604 -3.451 374 HB VAL 48 HB VAL 48 -10.869 3.667 -1.258 375 HG11 VAL 48 HG11 VAL 48 -10.309 1.385 -0.806 376 HG12 VAL 48 HG12 VAL 48 -9.462 2.453 0.311 377 HG13 VAL 48 HG13 VAL 48 -8.593 1.721 -1.040 378 HG21 VAL 48 HG21 VAL 48 -7.928 4.122 -1.716 379 HG22 VAL 48 HG22 VAL 48 -8.873 4.706 -0.341 380 HG23 VAL 48 HG23 VAL 48 -9.217 5.303 -1.964 381 H GLU 49 HN GLU 49 -12.534 3.097 -2.989 382 HA GLU 49 HA GLU 49 -13.377 0.587 -2.406 383 HB2 GLU 49 HB2 GLU 49 -14.518 3.038 -3.383 384 HB3 GLU 49 HB1 GLU 49 -15.413 1.619 -3.939 385 HG2 GLU 49 HG2 GLU 49 -15.498 0.967 -1.559 386 HG3 GLU 49 HG1 GLU 49 -14.745 2.507 -1.161 387 H GLU 50 HN GLU 50 -13.016 2.068 -5.586 388 HA GLU 50 HA GLU 50 -14.034 -0.317 -6.789 389 HB2 GLU 50 HB2 GLU 50 -13.202 2.312 -7.994 390 HB3 GLU 50 HB1 GLU 50 -13.922 0.980 -8.892 391 HG2 GLU 50 HG2 GLU 50 -15.943 1.143 -7.569 392 HG3 GLU 50 HG1 GLU 50 -15.219 2.403 -6.575 393 H ALA 51 HN ALA 51 -11.105 0.544 -5.735 394 HA ALA 51 HA ALA 51 -9.538 -0.439 -8.022 395 HB1 ALA 51 HB1 ALA 51 -8.681 0.867 -5.472 396 HB2 ALA 51 HB2 ALA 51 -8.824 1.653 -7.047 397 HB3 ALA 51 HB3 ALA 51 -7.625 0.380 -6.788 398 H ASP 52 HN ASP 52 -8.068 -2.055 -7.871 399 HA ASP 52 HA ASP 52 -7.976 -3.550 -5.413 400 HB2 ASP 52 HB2 ASP 52 -8.416 -5.627 -6.398 401 HB3 ASP 52 HB1 ASP 52 -9.646 -4.560 -7.052 402 H GLY 53 HN GLY 53 -6.032 -4.672 -5.209 403 HA2 GLY 53 HA2 GLY 53 -3.785 -5.026 -5.392 404 HA3 GLY 53 HA1 GLY 53 -4.203 -5.395 -7.048 405 H LYS 54 HN LYS 54 -3.417 -4.185 -8.652 406 HA LYS 54 HA LYS 54 -1.243 -2.454 -8.225 407 HB2 LYS 54 HB2 LYS 54 -1.818 -3.772 -10.339 408 HB3 LYS 54 HB1 LYS 54 -2.931 -2.462 -10.716 409 HG2 LYS 54 HG2 LYS 54 -0.494 -1.255 -10.044 410 HG3 LYS 54 HG1 LYS 54 -0.099 -2.605 -11.067 411 HD2 LYS 54 HD2 LYS 54 -0.360 -0.833 -12.584 412 HD3 LYS 54 HD1 LYS 54 -1.892 -1.698 -12.681 413 HE2 LYS 54 HE2 LYS 54 -2.907 -0.082 -11.164 414 HE3 LYS 54 HE1 LYS 54 -1.367 0.750 -11.008 415 HZ1 LYS 54 HZ1 LYS 54 -3.062 0.584 -13.460 416 HZ2 LYS 54 HZ2 LYS 54 -1.489 1.102 -13.480 417 HZ3 LYS 54 HZ3 LYS 54 -2.611 1.979 -12.589 418 H LYS 55 HN LYS 55 -4.636 -1.905 -8.911 419 HA LYS 55 HA LYS 55 -4.334 0.765 -9.412 420 HB2 LYS 55 HB2 LYS 55 -6.685 -0.905 -8.763 421 HB3 LYS 55 HB1 LYS 55 -6.873 0.830 -8.604 422 HG2 LYS 55 HG2 LYS 55 -5.918 -0.582 -11.046 423 HG3 LYS 55 HG1 LYS 55 -7.603 -0.104 -10.798 424 HD2 LYS 55 HD2 LYS 55 -5.189 1.741 -11.019 425 HD3 LYS 55 HD1 LYS 55 -6.456 1.517 -12.218 426 HE2 LYS 55 HE2 LYS 55 -8.108 2.416 -10.618 427 HE3 LYS 55 HE1 LYS 55 -6.812 2.685 -9.458 428 HZ1 LYS 55 HZ1 LYS 55 -7.328 4.693 -10.619 429 HZ2 LYS 55 HZ2 LYS 55 -7.082 3.991 -12.105 430 HZ3 LYS 55 HZ3 LYS 55 -5.776 4.225 -11.068 431 H LEU 56 HN LEU 56 -4.880 -1.002 -6.435 432 HA LEU 56 HA LEU 56 -5.419 1.332 -4.953 433 HB2 LEU 56 HB2 LEU 56 -6.105 -0.997 -4.252 434 HB3 LEU 56 HB1 LEU 56 -4.438 -1.278 -3.838 435 HG LEU 56 HG LEU 56 -4.456 0.417 -2.109 436 HD11 LEU 56 HD11 LEU 56 -7.301 0.971 -2.954 437 HD12 LEU 56 HD12 LEU 56 -5.925 2.065 -3.140 438 HD13 LEU 56 HD13 LEU 56 -6.501 1.639 -1.536 439 HD21 LEU 56 HD21 LEU 56 -5.265 -1.763 -1.470 440 HD22 LEU 56 HD22 LEU 56 -6.899 -1.306 -1.971 441 HD23 LEU 56 HD23 LEU 56 -6.142 -0.497 -0.600 442 H ALA 57 HN ALA 57 -2.553 -0.476 -5.734 443 HA ALA 57 HA ALA 57 -0.652 0.783 -4.095 444 HB1 ALA 57 HB1 ALA 57 0.981 0.126 -5.813 445 HB2 ALA 57 HB2 ALA 57 -0.333 -0.194 -6.938 446 HB3 ALA 57 HB3 ALA 57 -0.148 -1.194 -5.503 447 H GLU 58 HN GLU 58 -2.107 1.682 -7.097 448 HA GLU 58 HA GLU 58 -0.526 3.924 -7.749 449 HB2 GLU 58 HB2 GLU 58 -1.928 2.553 -9.288 450 HB3 GLU 58 HB1 GLU 58 -3.356 3.233 -8.535 451 HG2 GLU 58 HG2 GLU 58 -2.695 5.444 -9.322 452 HG3 GLU 58 HG1 GLU 58 -1.275 4.731 -10.094 453 H ILE 59 HN ILE 59 -3.300 3.407 -5.689 454 HA ILE 59 HA ILE 59 -3.861 6.198 -5.347 455 HB ILE 59 HB ILE 59 -4.977 3.710 -4.009 456 HG12 ILE 59 HG12 ILE 59 -6.364 5.538 -5.924 457 HG13 ILE 59 HG11 ILE 59 -5.301 4.262 -6.524 458 HG21 ILE 59 HG21 ILE 59 -6.785 5.184 -3.185 459 HG22 ILE 59 HG22 ILE 59 -5.945 6.585 -3.846 460 HG23 ILE 59 HG23 ILE 59 -5.228 5.671 -2.518 461 HD11 ILE 59 HD11 ILE 59 -7.614 3.647 -6.562 462 HD12 ILE 59 HD12 ILE 59 -7.749 3.907 -4.809 463 HD13 ILE 59 HD13 ILE 59 -6.692 2.643 -5.470 464 H LEU 60 HN LEU 60 -1.952 3.755 -3.752 465 HA LEU 60 HA LEU 60 -1.474 5.218 -1.370 466 HB2 LEU 60 HB2 LEU 60 0.004 2.996 -2.733 467 HB3 LEU 60 HB1 LEU 60 0.846 3.901 -1.502 468 HG LEU 60 HG LEU 60 -0.015 1.847 -0.580 469 HD11 LEU 60 HD11 LEU 60 -1.572 4.193 0.464 470 HD12 LEU 60 HD12 LEU 60 0.067 3.730 0.913 471 HD13 LEU 60 HD13 LEU 60 -1.289 2.674 1.309 472 HD21 LEU 60 HD21 LEU 60 -1.887 1.435 -2.075 473 HD22 LEU 60 HD22 LEU 60 -2.752 2.809 -1.390 474 HD23 LEU 60 HD23 LEU 60 -2.418 1.390 -0.392 475 H VAL 61 HN VAL 61 0.101 5.219 -4.532 476 HA VAL 61 HA VAL 61 2.013 7.208 -3.691 477 HB VAL 61 HB VAL 61 2.848 7.249 -5.959 478 HG11 VAL 61 HG11 VAL 61 2.248 4.430 -5.100 479 HG12 VAL 61 HG12 VAL 61 3.620 5.416 -4.596 480 HG13 VAL 61 HG13 VAL 61 3.475 4.897 -6.277 481 HG21 VAL 61 HG21 VAL 61 0.739 7.181 -7.172 482 HG22 VAL 61 HG22 VAL 61 0.510 5.497 -6.701 483 HG23 VAL 61 HG23 VAL 61 1.840 5.935 -7.779 484 H ASN 62 HN ASN 62 -1.155 7.342 -4.428 485 HA ASN 62 HA ASN 62 -1.352 9.753 -5.915 486 HB2 ASN 62 HB2 ASN 62 -3.261 8.289 -5.905 487 HB3 ASN 62 HB1 ASN 62 -3.326 8.263 -4.154 488 HD21 ASN 62 HD21 ASN 62 -4.195 9.952 -7.008 489 HD22 ASN 62 HD22 ASN 62 -5.188 11.144 -6.246 490 H THR 63 HN THR 63 -0.967 8.940 -2.567 491 HA THR 63 HA THR 63 -1.375 11.729 -1.830 492 HB THR 63 HB THR 63 -1.609 10.687 0.493 493 HG1 THR 63 HG1 THR 63 -2.660 8.407 -0.511 494 HG21 THR 63 HG21 THR 63 -3.383 11.690 -0.755 495 HG22 THR 63 HG22 THR 63 -3.983 10.249 0.085 496 HG23 THR 63 HG23 THR 63 -3.666 10.202 -1.661 497 H SER 64 HN SER 64 0.362 8.978 -0.517 498 HA SER 64 HA SER 64 2.153 10.770 0.801 499 HB2 SER 64 HB2 SER 64 2.047 7.778 0.794 500 HB3 SER 64 HB1 SER 64 2.967 8.798 1.907 501 HG SER 64 HG SER 64 0.195 9.134 1.573 502 H SER 65 HN SER 65 4.404 10.599 0.769 503 HA SER 65 HA SER 65 5.568 10.192 -1.822 504 HB2 SER 65 HB2 SER 65 6.858 10.861 0.843 505 HB3 SER 65 HB1 SER 65 7.529 11.131 -0.775 506 HG SER 65 HG SER 65 5.074 12.231 -0.490 507 H GLU 66 HN GLU 66 7.448 8.705 -2.080 508 HA GLU 66 HA GLU 66 6.575 6.154 -1.366 509 HB2 GLU 66 HB2 GLU 66 8.499 5.281 -2.635 510 HB3 GLU 66 HB1 GLU 66 7.712 6.583 -3.485 511 HG2 GLU 66 HG2 GLU 66 9.973 6.913 -3.852 512 HG3 GLU 66 HG1 GLU 66 9.589 8.049 -2.562 513 H ASN 67 HN ASN 67 8.857 8.193 0.143 514 HA ASN 67 HA ASN 67 10.090 6.228 1.784 515 HB2 ASN 67 HB2 ASN 67 11.155 8.409 1.380 516 HB3 ASN 67 HB1 ASN 67 9.831 9.222 2.200 517 HD21 ASN 67 HD21 ASN 67 9.819 9.277 4.430 518 HD22 ASN 67 HD22 ASN 67 11.118 8.711 5.402 519 H TRP 68 HN TRP 68 7.064 7.873 2.053 520 HA TRP 68 HA TRP 68 6.847 6.913 4.785 521 HB2 TRP 68 HB2 TRP 68 5.965 9.208 4.282 522 HB3 TRP 68 HB1 TRP 68 4.768 8.481 3.212 523 HD1 TRP 68 HD1 TRP 68 5.606 8.890 6.917 524 HE1 TRP 68 HE1 TRP 68 3.578 8.134 8.331 525 HE3 TRP 68 HE3 TRP 68 2.668 7.020 3.200 526 HZ2 TRP 68 HZ2 TRP 68 1.093 6.917 7.905 527 HZ3 TRP 68 HZ3 TRP 68 0.492 6.093 3.778 528 HH2 TRP 68 HH2 TRP 68 -0.279 6.039 6.095 529 H ILE 69 HN ILE 69 5.677 6.249 1.563 530 HA ILE 69 HA ILE 69 3.580 4.484 2.208 531 HB ILE 69 HB ILE 69 5.378 4.367 -0.236 532 HG12 ILE 69 HG12 ILE 69 2.700 5.714 0.160 533 HG13 ILE 69 HG11 ILE 69 4.248 6.548 0.130 534 HG21 ILE 69 HG21 ILE 69 3.537 3.140 -1.291 535 HG22 ILE 69 HG22 ILE 69 2.588 3.272 0.186 536 HG23 ILE 69 HG23 ILE 69 4.039 2.286 0.178 537 HD11 ILE 69 HD11 ILE 69 3.106 6.769 -1.965 538 HD12 ILE 69 HD12 ILE 69 3.002 5.015 -2.129 539 HD13 ILE 69 HD13 ILE 69 4.576 5.816 -2.181 540 H ARG 70 HN ARG 70 7.026 4.011 2.058 541 HA ARG 70 HA ARG 70 6.995 1.200 2.182 542 HB2 ARG 70 HB2 ARG 70 9.352 1.313 2.788 543 HB3 ARG 70 HB1 ARG 70 9.002 2.520 1.562 544 HG2 ARG 70 HG2 ARG 70 9.089 4.282 3.118 545 HG3 ARG 70 HG1 ARG 70 9.209 3.154 4.475 546 HD2 ARG 70 HD2 ARG 70 11.340 2.395 3.751 547 HD3 ARG 70 HD1 ARG 70 11.203 3.267 2.230 548 HE ARG 70 HE ARG 70 11.205 5.311 3.702 549 HH11 ARG 70 HH11 ARG 70 12.778 2.380 4.912 550 HH12 ARG 70 HH12 ARG 70 14.153 3.189 5.498 551 HH21 ARG 70 HH21 ARG 70 13.088 6.404 4.493 552 HH22 ARG 70 HH22 ARG 70 14.351 5.551 5.255 553 H ASN 71 HN ASN 71 6.216 3.520 4.510 554 HA ASN 71 HA ASN 71 6.521 1.695 6.768 555 HB2 ASN 71 HB2 ASN 71 7.090 3.989 7.256 556 HB3 ASN 71 HB1 ASN 71 5.622 4.577 6.500 557 HD21 ASN 71 HD21 ASN 71 4.960 5.719 8.261 558 HD22 ASN 71 HD22 ASN 71 4.441 5.013 9.743 559 H ALA 72 HN ALA 72 4.054 3.481 5.006 560 HA ALA 72 HA ALA 72 1.693 2.885 6.248 561 HB1 ALA 72 HB1 ALA 72 0.597 3.230 4.147 562 HB2 ALA 72 HB2 ALA 72 2.076 2.874 3.282 563 HB3 ALA 72 HB3 ALA 72 1.969 4.345 4.267 564 H THR 73 HN THR 73 2.626 1.169 3.263 565 HA THR 73 HA THR 73 0.855 -0.812 3.293 566 HB THR 73 HB THR 73 3.643 -0.681 2.139 567 HG1 THR 73 HG1 THR 73 3.085 1.024 1.152 568 HG21 THR 73 HG21 THR 73 2.501 -1.672 0.295 569 HG22 THR 73 HG22 THR 73 0.969 -1.416 1.170 570 HG23 THR 73 HG23 THR 73 2.144 -2.623 1.770 571 H VAL 74 HN VAL 74 4.203 -0.836 4.557 572 HA VAL 74 HA VAL 74 4.236 -3.555 5.150 573 HB VAL 74 HB VAL 74 5.749 -1.236 6.400 574 HG11 VAL 74 HG11 VAL 74 5.645 -3.039 8.049 575 HG12 VAL 74 HG12 VAL 74 7.275 -2.873 7.395 576 HG13 VAL 74 HG13 VAL 74 6.228 -4.181 6.841 577 HG21 VAL 74 HG21 VAL 74 6.261 -1.681 4.083 578 HG22 VAL 74 HG22 VAL 74 6.562 -3.385 4.449 579 HG23 VAL 74 HG23 VAL 74 7.619 -2.136 5.113 580 H ASN 75 HN ASN 75 3.310 -0.786 7.107 581 HA ASN 75 HA ASN 75 2.614 -2.100 9.503 582 HB2 ASN 75 HB2 ASN 75 2.924 0.312 9.352 583 HB3 ASN 75 HB1 ASN 75 1.604 0.444 8.219 584 HD21 ASN 75 HD21 ASN 75 0.636 1.984 9.562 585 HD22 ASN 75 HD22 ASN 75 -0.216 1.534 10.984 586 H ILE 76 HN ILE 76 0.716 -1.323 6.646 587 HA ILE 76 HA ILE 76 -1.720 -2.357 7.669 588 HB ILE 76 HB ILE 76 -1.002 -2.249 4.719 589 HG12 ILE 76 HG12 ILE 76 -0.733 -0.045 5.865 590 HG13 ILE 76 HG11 ILE 76 -2.006 -0.036 4.645 591 HG21 ILE 76 HG21 ILE 76 -3.663 -2.267 6.153 592 HG22 ILE 76 HG22 ILE 76 -2.964 -3.603 5.242 593 HG23 ILE 76 HG23 ILE 76 -3.443 -2.123 4.407 594 HD11 ILE 76 HD11 ILE 76 -2.401 -0.264 7.624 595 HD12 ILE 76 HD12 ILE 76 -3.671 -0.130 6.382 596 HD13 ILE 76 HD13 ILE 76 -2.559 1.202 6.659 597 H LEU 77 HN LEU 77 0.757 -3.929 5.595 598 HA LEU 77 HA LEU 77 -0.691 -6.352 5.542 599 HB2 LEU 77 HB2 LEU 77 2.230 -5.890 4.966 600 HB3 LEU 77 HB1 LEU 77 1.498 -7.477 4.928 601 HG LEU 77 HG LEU 77 -0.132 -6.340 3.192 602 HD11 LEU 77 HD11 LEU 77 0.578 -4.153 3.431 603 HD12 LEU 77 HD12 LEU 77 0.872 -4.738 1.790 604 HD13 LEU 77 HD13 LEU 77 2.213 -4.581 2.933 605 HD21 LEU 77 HD21 LEU 77 2.682 -7.150 2.519 606 HD22 LEU 77 HD22 LEU 77 1.335 -7.052 1.384 607 HD23 LEU 77 HD23 LEU 77 1.294 -8.224 2.702 608 H GLU 78 HN GLU 78 1.765 -5.166 7.725 609 HA GLU 78 HA GLU 78 1.881 -7.531 9.264 610 HB2 GLU 78 HB2 GLU 78 2.806 -4.747 9.563 611 HB3 GLU 78 HB1 GLU 78 2.731 -5.656 11.050 612 HG2 GLU 78 HG2 GLU 78 4.169 -7.388 10.001 613 HG3 GLU 78 HG1 GLU 78 4.224 -6.412 8.538 614 H GLU 79 HN GLU 79 -0.389 -4.982 9.133 615 HA GLU 79 HA GLU 79 -1.635 -5.651 11.633 616 HB2 GLU 79 HB2 GLU 79 -1.741 -3.386 10.339 617 HB3 GLU 79 HB1 GLU 79 -2.958 -4.183 9.358 618 HG2 GLU 79 HG2 GLU 79 -4.023 -2.891 11.055 619 HG3 GLU 79 HG1 GLU 79 -4.284 -4.612 11.370 620 H MET 80 HN MET 80 -1.783 -6.632 8.310 621 HA MET 80 HA MET 80 -4.206 -8.171 8.612 622 HB2 MET 80 HB2 MET 80 -2.197 -8.131 6.348 623 HB3 MET 80 HB1 MET 80 -3.709 -9.018 6.336 624 HG2 MET 80 HG2 MET 80 -4.917 -6.876 6.533 625 HG3 MET 80 HG1 MET 80 -3.374 -6.034 6.436 626 HE1 MET 80 HE1 MET 80 -4.551 -9.265 4.448 627 HE2 MET 80 HE2 MET 80 -5.253 -8.508 3.020 628 HE3 MET 80 HE3 MET 80 -5.988 -8.259 4.601 629 H ASN 81 HN ASN 81 -1.155 -8.539 9.656 630 HA ASN 81 HA ASN 81 0.171 -10.200 10.424 631 HB2 ASN 81 HB2 ASN 81 -1.951 -10.962 11.544 632 HB3 ASN 81 HB1 ASN 81 -2.316 -11.947 10.140 633 HD21 ASN 81 HD21 ASN 81 -2.375 -13.819 11.372 634 HD22 ASN 81 HD22 ASN 81 -0.969 -14.551 12.030 635 H LEU 82 HN LEU 82 -0.126 -9.610 7.608 636 HA LEU 82 HA LEU 82 0.394 -12.136 6.274 637 HB2 LEU 82 HB2 LEU 82 0.011 -9.335 5.308 638 HB3 LEU 82 HB1 LEU 82 0.617 -10.588 4.239 639 HG LEU 82 HG LEU 82 -2.073 -10.503 5.602 640 HD11 LEU 82 HD11 LEU 82 -1.260 -10.331 2.702 641 HD12 LEU 82 HD12 LEU 82 -1.864 -9.003 3.694 642 HD13 LEU 82 HD13 LEU 82 -2.914 -10.366 3.308 643 HD21 LEU 82 HD21 LEU 82 -0.834 -12.580 3.825 644 HD22 LEU 82 HD22 LEU 82 -2.531 -12.564 4.329 645 HD23 LEU 82 HD23 LEU 82 -1.244 -12.776 5.528 646 H THR 83 HN THR 83 2.205 -12.326 7.681 647 HA THR 83 HA THR 83 4.430 -10.657 7.665 648 HB THR 83 HB THR 83 5.521 -12.898 8.425 649 HG1 THR 83 HG1 THR 83 3.895 -14.370 9.100 650 HG21 THR 83 HG21 THR 83 3.257 -11.570 9.930 651 HG22 THR 83 HG22 THR 83 4.947 -11.039 9.895 652 HG23 THR 83 HG23 THR 83 4.522 -12.576 10.640 653 H GLU 84 HN GLU 84 3.989 -13.755 6.099 654 HA GLU 84 HA GLU 84 6.301 -14.238 4.871 655 HB2 GLU 84 HB2 GLU 84 4.917 -15.271 2.977 656 HB3 GLU 84 HB1 GLU 84 4.623 -15.860 4.616 657 HG2 GLU 84 HG2 GLU 84 2.645 -14.378 4.735 658 HG3 GLU 84 HG1 GLU 84 2.963 -13.853 3.093 659 H LEU 85 HN LEU 85 3.815 -12.389 3.113 660 HA LEU 85 HA LEU 85 5.790 -11.632 1.177 661 HB2 LEU 85 HB2 LEU 85 4.035 -10.510 -0.086 662 HB3 LEU 85 HB1 LEU 85 3.592 -12.144 0.309 663 HG LEU 85 HG LEU 85 2.507 -9.739 1.795 664 HD11 LEU 85 HD11 LEU 85 1.317 -11.256 -0.522 665 HD12 LEU 85 HD12 LEU 85 1.894 -9.589 -0.557 666 HD13 LEU 85 HD13 LEU 85 0.495 -10.020 0.427 667 HD21 LEU 85 HD21 LEU 85 2.234 -11.778 3.055 668 HD22 LEU 85 HD22 LEU 85 1.655 -12.625 1.622 669 HD23 LEU 85 HD23 LEU 85 0.676 -11.352 2.338 670 H CYS 86 HN CYS 86 4.323 -10.097 3.946 671 HA CYS 86 HA CYS 86 5.003 -7.431 3.268 672 HB2 CYS 86 HB2 CYS 86 3.426 -8.140 5.091 673 HB3 CYS 86 HB1 CYS 86 4.828 -8.684 5.973 674 HG CYS 86 HG CYS 86 5.320 -6.403 7.140 675 H LYS 87 HN LYS 87 6.729 -10.059 4.774 676 HA LYS 87 HA LYS 87 8.975 -8.525 5.513 677 HB2 LYS 87 HB2 LYS 87 8.513 -11.463 5.185 678 HB3 LYS 87 HB1 LYS 87 10.032 -10.787 5.782 679 HG2 LYS 87 HG2 LYS 87 8.962 -9.829 7.674 680 HG3 LYS 87 HG1 LYS 87 7.365 -10.177 7.024 681 HD2 LYS 87 HD2 LYS 87 8.074 -11.706 8.854 682 HD3 LYS 87 HD1 LYS 87 7.682 -12.512 7.334 683 HE2 LYS 87 HE2 LYS 87 9.801 -12.975 6.843 684 HE3 LYS 87 HE1 LYS 87 10.502 -11.724 7.884 685 HZ1 LYS 87 HZ1 LYS 87 9.699 -13.104 9.788 686 HZ2 LYS 87 HZ2 LYS 87 10.895 -13.843 8.871 687 HZ3 LYS 87 HZ3 LYS 87 9.287 -14.325 8.689 688 H MET 88 HN MET 88 7.919 -9.782 2.522 689 HA MET 88 HA MET 88 10.517 -9.587 1.298 690 HB2 MET 88 HB2 MET 88 7.739 -9.836 0.118 691 HB3 MET 88 HB1 MET 88 9.189 -9.690 -0.860 692 HG2 MET 88 HG2 MET 88 8.656 -11.873 1.117 693 HG3 MET 88 HG1 MET 88 8.395 -12.013 -0.629 694 HE1 MET 88 HE1 MET 88 11.517 -14.279 -0.138 695 HE2 MET 88 HE2 MET 88 9.891 -14.141 -0.807 696 HE3 MET 88 HE3 MET 88 10.131 -14.122 0.939 697 H ALA 89 HN ALA 89 7.603 -7.711 1.669 698 HA ALA 89 HA ALA 89 8.199 -5.450 0.154 699 HB1 ALA 89 HB1 ALA 89 6.666 -4.243 1.642 700 HB2 ALA 89 HB2 ALA 89 6.839 -5.501 2.846 701 HB3 ALA 89 HB3 ALA 89 6.036 -5.869 1.333 702 H LYS 90 HN LYS 90 9.083 -6.258 3.459 703 HA LYS 90 HA LYS 90 10.516 -3.818 3.967 704 HB2 LYS 90 HB2 LYS 90 10.649 -6.453 5.458 705 HB3 LYS 90 HB1 LYS 90 11.146 -4.874 6.068 706 HG2 LYS 90 HG2 LYS 90 8.898 -4.075 6.030 707 HG3 LYS 90 HG1 LYS 90 8.344 -5.528 5.209 708 HD2 LYS 90 HD2 LYS 90 7.695 -5.750 7.466 709 HD3 LYS 90 HD1 LYS 90 9.083 -6.807 7.248 710 HE2 LYS 90 HE2 LYS 90 10.526 -5.201 8.328 711 HE3 LYS 90 HE1 LYS 90 9.207 -4.028 8.405 712 HZ1 LYS 90 HZ1 LYS 90 9.325 -6.637 9.829 713 HZ2 LYS 90 HZ2 LYS 90 7.975 -5.643 9.735 714 HZ3 LYS 90 HZ3 LYS 90 9.332 -5.099 10.547 715 H ALA 91 HN ALA 91 11.253 -6.395 2.055 716 HA ALA 91 HA ALA 91 14.139 -5.975 2.341 717 HB1 ALA 91 HB1 ALA 91 12.627 -8.396 1.324 718 HB2 ALA 91 HB2 ALA 91 13.415 -8.268 2.882 719 HB3 ALA 91 HB3 ALA 91 14.384 -8.244 1.405 720 H GLU 92 HN GLU 92 11.596 -4.998 0.564 721 HA GLU 92 HA GLU 92 13.154 -4.845 -1.938 722 HB2 GLU 92 HB2 GLU 92 10.321 -5.684 -1.644 723 HB3 GLU 92 HB1 GLU 92 10.995 -5.272 -3.208 724 HG2 GLU 92 HG2 GLU 92 12.738 -7.103 -2.626 725 HG3 GLU 92 HG1 GLU 92 11.647 -7.541 -1.333 726 H MET 93 HN MET 93 10.226 -3.739 -0.325 727 HA MET 93 HA MET 93 9.838 -1.506 -2.051 728 HB2 MET 93 HB2 MET 93 8.141 -2.815 -0.540 729 HB3 MET 93 HB1 MET 93 8.686 -1.689 0.697 730 HG2 MET 93 HG2 MET 93 8.124 0.119 -1.048 731 HG3 MET 93 HG1 MET 93 7.368 -1.218 -1.859 732 HE1 MET 93 HE1 MET 93 6.157 -3.047 0.188 733 HE2 MET 93 HE2 MET 93 5.208 -2.458 -1.170 734 HE3 MET 93 HE3 MET 93 4.542 -2.405 0.464 735 H MET 94 HN MET 94 11.190 -2.081 1.071 736 HA MET 94 HA MET 94 12.153 0.641 1.056 737 HB2 MET 94 HB2 MET 94 12.794 0.233 3.486 738 HB3 MET 94 HB1 MET 94 11.078 0.337 3.132 739 HG2 MET 94 HG2 MET 94 10.847 -1.996 3.241 740 HG3 MET 94 HG1 MET 94 12.581 -2.239 3.407 741 HE1 MET 94 HE1 MET 94 9.958 -0.268 6.692 742 HE2 MET 94 HE2 MET 94 9.328 -0.851 5.150 743 HE3 MET 94 HE3 MET 94 10.382 0.559 5.195 744 H GLU 95 HN GLU 95 13.738 0.380 -0.400 745 HA GLU 95 HA GLU 95 15.783 -1.555 0.193 746 HB2 GLU 95 HB2 GLU 95 16.646 -0.405 -2.122 747 HB3 GLU 95 HB1 GLU 95 15.603 -1.808 -2.054 748 HG2 GLU 95 HG2 GLU 95 14.778 -0.206 -3.673 749 HG3 GLU 95 HG1 GLU 95 13.639 -0.369 -2.348 750 H ASP 96 HN ASP 96 15.149 1.010 1.403 751 HA ASP 96 HA ASP 96 17.660 2.484 1.345 752 HB2 ASP 96 HB2 ASP 96 15.541 3.692 1.797 753 HB3 ASP 96 HB1 ASP 96 15.315 2.739 3.257 754 H GLY 97 HN GLY 97 16.123 -0.019 3.164 755 HA2 GLY 97 HA2 GLY 97 17.111 -1.635 4.472 756 HA3 GLY 97 HA1 GLY 97 18.607 -0.733 4.390 757 H GLN 98 HN GLN 98 16.267 -1.795 6.451 758 HA GLN 98 HA GLN 98 16.601 0.413 8.337 759 HB2 GLN 98 HB2 GLN 98 15.211 -2.275 8.681 760 HB3 GLN 98 HB1 GLN 98 15.269 -1.021 9.900 761 HG2 GLN 98 HG2 GLN 98 14.011 0.466 8.420 762 HG3 GLN 98 HG1 GLN 98 13.929 -0.820 7.217 763 HE21 GLN 98 HE21 GLN 98 11.813 0.566 8.678 764 HE22 GLN 98 HE22 GLN 98 10.893 -0.649 9.480 Start of MODEL 9 1 H MET 3 HT1 MET 3 12.011 7.557 -3.206 2 HA MET 3 HA MET 3 14.062 5.467 -3.367 3 HB2 MET 3 HB2 MET 3 11.027 5.359 -3.223 4 HB3 MET 3 HB1 MET 3 12.058 3.973 -3.533 5 HG2 MET 3 HG2 MET 3 13.052 4.206 -1.332 6 HG3 MET 3 HG1 MET 3 12.068 5.651 -1.086 7 HE1 MET 3 HE1 MET 3 10.936 2.274 -2.816 8 HE2 MET 3 HE2 MET 3 10.315 1.382 -1.428 9 HE3 MET 3 HE3 MET 3 12.038 1.744 -1.544 10 H THR 4 HN THR 4 12.650 4.066 -5.307 11 HA THR 4 HA THR 4 12.572 6.042 -7.453 12 HB THR 4 HB THR 4 12.759 3.975 -8.957 13 HG1 THR 4 HG1 THR 4 13.870 2.227 -7.939 14 HG21 THR 4 HG21 THR 4 14.575 5.588 -8.704 15 HG22 THR 4 HG22 THR 4 15.230 3.953 -8.779 16 HG23 THR 4 HG23 THR 4 15.103 4.786 -7.228 17 H SER 5 HN SER 5 10.795 6.369 -8.566 18 HA SER 5 HA SER 5 8.340 5.706 -7.518 19 HB2 SER 5 HB2 SER 5 8.820 6.599 -10.384 20 HB3 SER 5 HB1 SER 5 7.380 6.832 -9.403 21 HG SER 5 HG SER 5 8.685 8.048 -7.966 22 HA PRO 6 HA PRO 6 7.595 2.480 -11.068 23 HB2 PRO 6 HB2 PRO 6 10.313 1.566 -11.790 24 HB3 PRO 6 HB1 PRO 6 8.936 1.928 -12.838 25 HG2 PRO 6 HG2 PRO 6 11.032 3.565 -12.739 26 HG3 PRO 6 HG1 PRO 6 9.379 4.197 -12.858 27 HD2 PRO 6 HD2 PRO 6 11.142 3.969 -10.447 28 HD3 PRO 6 HD1 PRO 6 10.132 5.330 -10.971 29 H GLN 7 HN GLN 7 10.510 1.993 -9.092 30 HA GLN 7 HA GLN 7 9.932 -0.791 -8.740 31 HB2 GLN 7 HB2 GLN 7 11.939 1.015 -7.403 32 HB3 GLN 7 HB1 GLN 7 11.713 -0.647 -6.904 33 HG2 GLN 7 HG2 GLN 7 13.644 -0.390 -8.370 34 HG3 GLN 7 HG1 GLN 7 12.420 -1.424 -9.085 35 HE21 GLN 7 HE21 GLN 7 11.517 -0.851 -10.978 36 HE22 GLN 7 HE22 GLN 7 11.974 0.536 -11.905 37 H LEU 8 HN LEU 8 9.522 2.138 -6.800 38 HA LEU 8 HA LEU 8 8.549 1.063 -4.426 39 HB2 LEU 8 HB2 LEU 8 8.945 3.428 -4.675 40 HB3 LEU 8 HB1 LEU 8 7.732 3.540 -5.935 41 HG LEU 8 HG LEU 8 6.215 2.584 -3.986 42 HD11 LEU 8 HD11 LEU 8 7.888 2.429 -2.321 43 HD12 LEU 8 HD12 LEU 8 6.693 3.646 -1.869 44 HD13 LEU 8 HD13 LEU 8 8.269 4.145 -2.482 45 HD21 LEU 8 HD21 LEU 8 5.672 4.455 -5.260 46 HD22 LEU 8 HD22 LEU 8 6.913 5.463 -4.487 47 HD23 LEU 8 HD23 LEU 8 5.504 4.916 -3.565 48 H GLU 9 HN GLU 9 6.758 2.247 -7.239 49 HA GLU 9 HA GLU 9 4.286 1.473 -6.348 50 HB2 GLU 9 HB2 GLU 9 4.704 3.162 -8.074 51 HB3 GLU 9 HB1 GLU 9 5.188 1.904 -9.203 52 HG2 GLU 9 HG2 GLU 9 2.916 0.969 -9.101 53 HG3 GLU 9 HG1 GLU 9 2.448 2.264 -8.001 54 H TRP 10 HN TRP 10 6.698 -0.154 -8.370 55 HA TRP 10 HA TRP 10 5.281 -2.428 -9.109 56 HB2 TRP 10 HB2 TRP 10 7.435 -2.012 -10.139 57 HB3 TRP 10 HB1 TRP 10 8.244 -2.080 -8.577 58 HD1 TRP 10 HD1 TRP 10 6.584 -4.318 -11.134 59 HE1 TRP 10 HE1 TRP 10 7.384 -6.776 -10.791 60 HE3 TRP 10 HE3 TRP 10 9.319 -3.646 -6.919 61 HZ2 TRP 10 HZ2 TRP 10 9.008 -8.191 -8.937 62 HZ3 TRP 10 HZ3 TRP 10 10.472 -5.564 -5.909 63 HH2 TRP 10 HH2 TRP 10 10.323 -7.781 -6.881 64 H THR 11 HN THR 11 7.283 -1.852 -6.239 65 HA THR 11 HA THR 11 6.964 -4.485 -5.284 66 HB THR 11 HB THR 11 7.488 -2.079 -3.527 67 HG1 THR 11 HG1 THR 11 8.966 -2.203 -5.360 68 HG21 THR 11 HG21 THR 11 8.365 -4.960 -3.329 69 HG22 THR 11 HG22 THR 11 6.981 -4.293 -2.494 70 HG23 THR 11 HG23 THR 11 8.604 -3.704 -2.109 71 H LEU 12 HN LEU 12 5.271 -1.481 -4.676 72 HA LEU 12 HA LEU 12 3.602 -2.292 -2.742 73 HB2 LEU 12 HB2 LEU 12 3.314 -0.334 -4.958 74 HB3 LEU 12 HB1 LEU 12 1.983 -0.533 -3.829 75 HG LEU 12 HG LEU 12 4.794 0.250 -3.030 76 HD11 LEU 12 HD11 LEU 12 3.920 2.494 -2.770 77 HD12 LEU 12 HD12 LEU 12 2.357 1.987 -3.423 78 HD13 LEU 12 HD13 LEU 12 3.797 1.975 -4.446 79 HD21 LEU 12 HD21 LEU 12 2.182 0.380 -1.523 80 HD22 LEU 12 HD22 LEU 12 3.803 0.842 -0.951 81 HD23 LEU 12 HD23 LEU 12 3.453 -0.830 -1.302 82 H GLN 13 HN GLN 13 3.035 -2.169 -6.312 83 HA GLN 13 HA GLN 13 0.494 -3.322 -6.378 84 HB2 GLN 13 HB2 GLN 13 0.795 -3.637 -8.815 85 HB3 GLN 13 HB1 GLN 13 1.458 -2.086 -8.310 86 HG2 GLN 13 HG2 GLN 13 3.602 -2.784 -8.477 87 HG3 GLN 13 HG1 GLN 13 3.169 -4.479 -8.654 88 HE21 GLN 13 HE21 GLN 13 1.095 -4.126 -10.561 89 HE22 GLN 13 HE22 GLN 13 1.807 -3.613 -12.036 90 H THR 14 HN THR 14 3.655 -4.843 -6.669 91 HA THR 14 HA THR 14 2.780 -7.351 -7.424 92 HB THR 14 HB THR 14 5.261 -6.564 -5.895 93 HG1 THR 14 HG1 THR 14 5.494 -5.607 -7.780 94 HG21 THR 14 HG21 THR 14 4.698 -9.047 -7.535 95 HG22 THR 14 HG22 THR 14 4.904 -9.005 -5.782 96 HG23 THR 14 HG23 THR 14 6.260 -8.604 -6.851 97 H LEU 15 HN LEU 15 2.950 -5.939 -4.223 98 HA LEU 15 HA LEU 15 2.394 -8.415 -2.840 99 HB2 LEU 15 HB2 LEU 15 2.171 -5.556 -1.942 100 HB3 LEU 15 HB1 LEU 15 2.092 -6.956 -0.899 101 HG LEU 15 HG LEU 15 4.534 -6.300 -2.536 102 HD11 LEU 15 HD11 LEU 15 5.460 -5.362 -0.507 103 HD12 LEU 15 HD12 LEU 15 3.929 -5.640 0.338 104 HD13 LEU 15 HD13 LEU 15 4.012 -4.473 -0.984 105 HD21 LEU 15 HD21 LEU 15 4.284 -8.636 -1.725 106 HD22 LEU 15 HD22 LEU 15 4.177 -8.010 -0.068 107 HD23 LEU 15 HD23 LEU 15 5.634 -7.786 -0.990 108 H LEU 16 HN LEU 16 0.633 -5.556 -3.870 109 HA LEU 16 HA LEU 16 -1.833 -6.348 -2.702 110 HB2 LEU 16 HB2 LEU 16 -1.232 -4.257 -4.793 111 HB3 LEU 16 HB1 LEU 16 -2.778 -4.463 -3.996 112 HG LEU 16 HG LEU 16 -0.221 -3.727 -2.569 113 HD11 LEU 16 HD11 LEU 16 -0.987 -1.964 -4.077 114 HD12 LEU 16 HD12 LEU 16 -1.189 -1.509 -2.384 115 HD13 LEU 16 HD13 LEU 16 -2.584 -2.027 -3.333 116 HD21 LEU 16 HD21 LEU 16 -3.087 -3.777 -1.652 117 HD22 LEU 16 HD22 LEU 16 -1.712 -3.208 -0.709 118 HD23 LEU 16 HD23 LEU 16 -1.830 -4.913 -1.166 119 H GLU 17 HN GLU 17 -0.279 -7.137 -5.628 120 HA GLU 17 HA GLU 17 -2.667 -8.159 -6.880 121 HB2 GLU 17 HB2 GLU 17 0.258 -8.461 -7.589 122 HB3 GLU 17 HB1 GLU 17 -1.055 -9.113 -8.560 123 HG2 GLU 17 HG2 GLU 17 -1.917 -6.834 -8.921 124 HG3 GLU 17 HG1 GLU 17 -0.604 -6.169 -7.982 125 H GLN 18 HN GLN 18 -0.964 -9.122 -4.317 126 HA GLN 18 HA GLN 18 -1.427 -12.009 -4.757 127 HB2 GLN 18 HB2 GLN 18 0.079 -10.633 -2.520 128 HB3 GLN 18 HB1 GLN 18 0.007 -12.372 -2.805 129 HG2 GLN 18 HG2 GLN 18 1.247 -12.074 -4.866 130 HG3 GLN 18 HG1 GLN 18 1.261 -10.331 -4.617 131 HE21 GLN 18 HE21 GLN 18 3.376 -10.140 -4.522 132 HE22 GLN 18 HE22 GLN 18 4.405 -10.756 -3.271 133 H LEU 19 HN LEU 19 -1.751 -9.414 -2.363 134 HA LEU 19 HA LEU 19 -3.972 -10.802 -1.104 135 HB2 LEU 19 HB2 LEU 19 -3.711 -9.307 0.689 136 HB3 LEU 19 HB1 LEU 19 -2.068 -9.660 0.203 137 HG LEU 19 HG LEU 19 -2.677 -7.414 -1.230 138 HD11 LEU 19 HD11 LEU 19 -3.614 -5.776 0.321 139 HD12 LEU 19 HD12 LEU 19 -4.056 -7.125 1.395 140 HD13 LEU 19 HD13 LEU 19 -4.685 -7.047 -0.263 141 HD21 LEU 19 HD21 LEU 19 -0.598 -7.749 -0.127 142 HD22 LEU 19 HD22 LEU 19 -1.342 -7.467 1.472 143 HD23 LEU 19 HD23 LEU 19 -1.275 -6.177 0.244 144 H ASN 20 HN ASN 20 -5.923 -10.418 -2.090 145 HA ASN 20 HA ASN 20 -6.729 -7.746 -2.540 146 HB2 ASN 20 HB2 ASN 20 -7.045 -7.779 -5.024 147 HB3 ASN 20 HB1 ASN 20 -5.369 -7.805 -4.477 148 HD21 ASN 20 HD21 ASN 20 -4.331 -9.768 -4.458 149 HD22 ASN 20 HD22 ASN 20 -4.680 -11.018 -5.628 150 H GLU 21 HN GLU 21 -7.457 -11.120 -3.255 151 HA GLU 21 HA GLU 21 -10.021 -10.953 -4.180 152 HB2 GLU 21 HB2 GLU 21 -8.694 -12.987 -4.094 153 HB3 GLU 21 HB1 GLU 21 -8.829 -13.037 -2.350 154 HG2 GLU 21 HG2 GLU 21 -11.185 -13.480 -2.507 155 HG3 GLU 21 HG1 GLU 21 -11.145 -13.268 -4.256 156 H ASP 22 HN ASP 22 -9.478 -11.855 -0.758 157 HA ASP 22 HA ASP 22 -11.652 -9.993 -0.136 158 HB2 ASP 22 HB2 ASP 22 -10.997 -12.645 1.124 159 HB3 ASP 22 HB1 ASP 22 -11.954 -11.445 1.983 160 H GLU 23 HN GLU 23 -8.644 -10.196 -0.167 161 HA GLU 23 HA GLU 23 -7.758 -9.668 2.544 162 HB2 GLU 23 HB2 GLU 23 -6.207 -9.329 0.012 163 HB3 GLU 23 HB1 GLU 23 -5.607 -9.679 1.627 164 HG2 GLU 23 HG2 GLU 23 -7.374 -11.458 0.075 165 HG3 GLU 23 HG1 GLU 23 -5.605 -11.607 0.021 166 H LEU 24 HN LEU 24 -8.354 -7.889 -0.424 167 HA LEU 24 HA LEU 24 -6.907 -5.567 0.342 168 HB2 LEU 24 HB2 LEU 24 -7.899 -6.448 -2.016 169 HB3 LEU 24 HB1 LEU 24 -9.141 -5.329 -1.548 170 HG LEU 24 HG LEU 24 -7.501 -3.519 -1.381 171 HD11 LEU 24 HD11 LEU 24 -5.499 -4.795 -0.855 172 HD12 LEU 24 HD12 LEU 24 -5.258 -3.868 -2.331 173 HD13 LEU 24 HD13 LEU 24 -5.581 -5.597 -2.422 174 HD21 LEU 24 HD21 LEU 24 -7.461 -4.992 -3.993 175 HD22 LEU 24 HD22 LEU 24 -7.114 -3.276 -3.735 176 HD23 LEU 24 HD23 LEU 24 -8.736 -3.904 -3.444 177 H LYS 25 HN LYS 25 -10.093 -6.720 0.716 178 HA LYS 25 HA LYS 25 -11.544 -4.447 1.411 179 HB2 LYS 25 HB2 LYS 25 -11.786 -7.281 2.438 180 HB3 LYS 25 HB1 LYS 25 -13.055 -6.059 2.477 181 HG2 LYS 25 HG2 LYS 25 -13.248 -6.032 0.129 182 HG3 LYS 25 HG1 LYS 25 -11.766 -6.962 -0.075 183 HD2 LYS 25 HD2 LYS 25 -12.793 -8.878 0.886 184 HD3 LYS 25 HD1 LYS 25 -14.302 -7.996 1.191 185 HE2 LYS 25 HE2 LYS 25 -14.437 -7.572 -1.285 186 HE3 LYS 25 HE1 LYS 25 -13.036 -8.622 -1.487 187 HZ1 LYS 25 HZ1 LYS 25 -15.718 -9.388 -0.490 188 HZ2 LYS 25 HZ2 LYS 25 -14.391 -10.404 -0.408 189 HZ3 LYS 25 HZ3 LYS 25 -14.974 -9.917 -1.903 190 H SER 26 HN SER 26 -9.685 -6.754 3.453 191 HA SER 26 HA SER 26 -9.966 -5.608 5.898 192 HB2 SER 26 HB2 SER 26 -7.738 -7.069 4.572 193 HB3 SER 26 HB1 SER 26 -8.008 -6.956 6.296 194 HG SER 26 HG SER 26 -9.375 -8.568 6.084 195 H PHE 27 HN PHE 27 -7.371 -5.431 3.517 196 HA PHE 27 HA PHE 27 -5.575 -3.759 4.751 197 HB2 PHE 27 HB2 PHE 27 -5.159 -5.107 2.772 198 HB3 PHE 27 HB1 PHE 27 -6.218 -4.080 1.831 199 HD1 PHE 27 HD2 PHE 27 -5.403 -1.670 1.377 200 HD2 PHE 27 HD1 PHE 27 -2.895 -4.652 3.083 201 HE1 PHE 27 HE2 PHE 27 -3.420 -0.329 0.802 202 HE2 PHE 27 HE1 PHE 27 -0.910 -3.320 2.505 203 HZ PHE 27 HZ PHE 27 -1.171 -1.154 1.364 204 H LYS 28 HN LYS 28 -8.191 -2.830 2.503 205 HA LYS 28 HA LYS 28 -7.723 -0.056 2.511 206 HB2 LYS 28 HB2 LYS 28 -10.340 -1.529 2.105 207 HB3 LYS 28 HB1 LYS 28 -10.084 0.167 1.745 208 HG2 LYS 28 HG2 LYS 28 -8.483 -0.425 0.006 209 HG3 LYS 28 HG1 LYS 28 -8.660 -2.133 0.413 210 HD2 LYS 28 HD2 LYS 28 -11.095 -1.945 -0.148 211 HD3 LYS 28 HD1 LYS 28 -10.790 -0.302 -0.713 212 HE2 LYS 28 HE2 LYS 28 -9.196 -1.163 -2.363 213 HE3 LYS 28 HE1 LYS 28 -9.481 -2.798 -1.778 214 HZ1 LYS 28 HZ1 LYS 28 -11.443 -1.040 -3.154 215 HZ2 LYS 28 HZ2 LYS 28 -11.828 -2.519 -2.455 216 HZ3 LYS 28 HZ3 LYS 28 -10.773 -2.466 -3.754 217 H SER 29 HN SER 29 -9.672 -2.091 4.634 218 HA SER 29 HA SER 29 -10.921 0.063 6.001 219 HB2 SER 29 HB2 SER 29 -11.586 -2.501 5.829 220 HB3 SER 29 HB1 SER 29 -10.519 -2.637 7.198 221 HG SER 29 HG SER 29 -12.553 -2.259 8.006 222 H LEU 30 HN LEU 30 -8.089 -1.921 6.550 223 HA LEU 30 HA LEU 30 -7.527 -1.038 9.177 224 HB2 LEU 30 HB2 LEU 30 -5.824 -2.297 7.073 225 HB3 LEU 30 HB1 LEU 30 -5.261 -2.012 8.707 226 HG LEU 30 HG LEU 30 -7.684 -3.680 8.041 227 HD11 LEU 30 HD11 LEU 30 -6.256 -5.605 8.440 228 HD12 LEU 30 HD12 LEU 30 -4.844 -4.522 8.511 229 HD13 LEU 30 HD13 LEU 30 -5.802 -4.659 7.028 230 HD21 LEU 30 HD21 LEU 30 -7.651 -2.811 10.324 231 HD22 LEU 30 HD22 LEU 30 -6.018 -3.434 10.544 232 HD23 LEU 30 HD23 LEU 30 -7.361 -4.549 10.314 233 H LEU 31 HN LEU 31 -6.614 0.179 6.026 234 HA LEU 31 HA LEU 31 -4.767 2.046 7.201 235 HB2 LEU 31 HB2 LEU 31 -4.192 2.669 4.988 236 HB3 LEU 31 HB1 LEU 31 -4.663 0.993 4.854 237 HG LEU 31 HG LEU 31 -6.973 1.994 4.098 238 HD11 LEU 31 HD11 LEU 31 -5.054 4.200 3.445 239 HD12 LEU 31 HD12 LEU 31 -6.384 4.289 4.593 240 HD13 LEU 31 HD13 LEU 31 -6.721 4.079 2.864 241 HD21 LEU 31 HD21 LEU 31 -4.519 1.993 2.334 242 HD22 LEU 31 HD22 LEU 31 -6.192 1.905 1.785 243 HD23 LEU 31 HD23 LEU 31 -5.504 0.584 2.729 244 H TRP 32 HN TRP 32 -8.063 1.831 6.793 245 HA TRP 32 HA TRP 32 -8.508 4.674 6.852 246 HB2 TRP 32 HB2 TRP 32 -9.909 2.571 5.853 247 HB3 TRP 32 HB1 TRP 32 -10.746 2.857 7.378 248 HD1 TRP 32 HD1 TRP 32 -12.536 4.714 7.314 249 HE1 TRP 32 HE1 TRP 32 -13.119 6.597 5.653 250 HE3 TRP 32 HE3 TRP 32 -8.590 4.223 4.188 251 HZ2 TRP 32 HZ2 TRP 32 -12.036 7.721 3.304 252 HZ3 TRP 32 HZ3 TRP 32 -8.408 5.730 2.233 253 HH2 TRP 32 HH2 TRP 32 -10.117 7.452 1.813 254 H ALA 33 HN ALA 33 -7.866 2.138 8.940 255 HA ALA 33 HA ALA 33 -9.510 2.944 11.153 256 HB1 ALA 33 HB1 ALA 33 -7.300 0.908 11.069 257 HB2 ALA 33 HB2 ALA 33 -8.991 0.584 10.723 258 HB3 ALA 33 HB3 ALA 33 -8.507 1.098 12.343 259 H PHE 34 HN PHE 34 -6.241 3.542 10.082 260 HA PHE 34 HA PHE 34 -5.480 4.401 12.717 261 HB2 PHE 34 HB2 PHE 34 -3.237 4.562 11.882 262 HB3 PHE 34 HB1 PHE 34 -3.925 3.124 11.163 263 HD1 PHE 34 HD1 PHE 34 -3.114 6.643 10.473 264 HD2 PHE 34 HD2 PHE 34 -3.866 2.807 8.857 265 HE1 PHE 34 HE1 PHE 34 -2.391 7.449 8.266 266 HE2 PHE 34 HE2 PHE 34 -3.160 3.609 6.633 267 HZ PHE 34 HZ PHE 34 -2.447 5.957 6.350 268 HA PRO 35 HA PRO 35 -6.379 8.696 11.990 269 HB2 PRO 35 HB2 PRO 35 -4.320 9.874 13.383 270 HB3 PRO 35 HB1 PRO 35 -5.763 9.214 14.156 271 HG2 PRO 35 HG2 PRO 35 -3.055 7.999 13.849 272 HG3 PRO 35 HG1 PRO 35 -4.149 7.950 15.241 273 HD2 PRO 35 HD2 PRO 35 -3.870 5.871 13.527 274 HD3 PRO 35 HD1 PRO 35 -5.403 6.229 14.335 275 H LEU 36 HN LEU 36 -6.002 9.599 10.099 276 HA LEU 36 HA LEU 36 -3.724 8.981 8.522 277 HB2 LEU 36 HB2 LEU 36 -5.728 11.119 8.031 278 HB3 LEU 36 HB1 LEU 36 -4.656 10.425 6.851 279 HG LEU 36 HG LEU 36 -7.017 9.034 8.136 280 HD11 LEU 36 HD11 LEU 36 -6.462 9.788 5.287 281 HD12 LEU 36 HD12 LEU 36 -7.554 10.652 6.362 282 HD13 LEU 36 HD13 LEU 36 -7.912 8.986 5.884 283 HD21 LEU 36 HD21 LEU 36 -6.489 7.135 6.685 284 HD22 LEU 36 HD22 LEU 36 -5.183 7.444 7.828 285 HD23 LEU 36 HD23 LEU 36 -5.023 7.949 6.144 286 H GLU 37 HN GLU 37 -2.314 10.466 7.545 287 HA GLU 37 HA GLU 37 -1.615 12.698 9.291 288 HB2 GLU 37 HB2 GLU 37 0.151 10.924 7.612 289 HB3 GLU 37 HB1 GLU 37 0.712 12.326 8.509 290 HG2 GLU 37 HG2 GLU 37 -0.076 11.269 10.577 291 HG3 GLU 37 HG1 GLU 37 -0.519 9.844 9.629 292 H ASP 38 HN ASP 38 0.197 13.948 7.745 293 HA ASP 38 HA ASP 38 -1.240 15.700 6.232 294 HB2 ASP 38 HB2 ASP 38 0.898 16.511 5.321 295 HB3 ASP 38 HB1 ASP 38 0.961 16.254 7.055 296 H VAL 39 HN VAL 39 -1.651 16.123 4.193 297 HA VAL 39 HA VAL 39 -2.177 15.939 2.082 298 HB VAL 39 HB VAL 39 -0.077 13.864 2.133 299 HG11 VAL 39 HG11 VAL 39 0.078 14.186 -0.395 300 HG12 VAL 39 HG12 VAL 39 -1.320 15.258 -0.295 301 HG13 VAL 39 HG13 VAL 39 -1.494 13.549 0.090 302 HG21 VAL 39 HG21 VAL 39 1.373 15.602 1.079 303 HG22 VAL 39 HG22 VAL 39 0.800 15.994 2.702 304 HG23 VAL 39 HG23 VAL 39 0.048 16.747 1.299 305 H LEU 40 HN LEU 40 -2.529 13.291 4.157 306 HA LEU 40 HA LEU 40 -4.026 11.660 2.320 307 HB2 LEU 40 HB2 LEU 40 -3.659 11.422 5.282 308 HB3 LEU 40 HB1 LEU 40 -4.486 10.242 4.283 309 HG LEU 40 HG LEU 40 -1.555 10.955 4.206 310 HD11 LEU 40 HD11 LEU 40 -1.251 8.654 4.930 311 HD12 LEU 40 HD12 LEU 40 -3.001 8.451 5.016 312 HD13 LEU 40 HD13 LEU 40 -2.191 9.585 6.094 313 HD21 LEU 40 HD21 LEU 40 -2.335 10.489 1.954 314 HD22 LEU 40 HD22 LEU 40 -3.121 9.013 2.516 315 HD23 LEU 40 HD23 LEU 40 -1.363 9.147 2.555 316 H GLN 41 HN GLN 41 -4.787 14.321 4.294 317 HA GLN 41 HA GLN 41 -7.484 13.485 4.719 318 HB2 GLN 41 HB2 GLN 41 -6.243 16.229 5.104 319 HB3 GLN 41 HB1 GLN 41 -7.931 15.885 5.392 320 HG2 GLN 41 HG2 GLN 41 -6.820 15.914 7.485 321 HG3 GLN 41 HG1 GLN 41 -7.249 14.251 7.131 322 HE21 GLN 41 HE21 GLN 41 -4.494 15.946 5.726 323 HE22 GLN 41 HE22 GLN 41 -3.309 14.987 6.550 324 H LYS 42 HN LYS 42 -8.054 12.907 2.743 325 HA LYS 42 HA LYS 42 -9.690 14.520 1.202 326 HB2 LYS 42 HB2 LYS 42 -8.498 14.828 -0.893 327 HB3 LYS 42 HB1 LYS 42 -7.595 15.630 0.390 328 HG2 LYS 42 HG2 LYS 42 -5.876 14.089 0.322 329 HG3 LYS 42 HG1 LYS 42 -6.893 12.833 -0.366 330 HD2 LYS 42 HD2 LYS 42 -5.402 13.486 -2.087 331 HD3 LYS 42 HD1 LYS 42 -6.955 14.192 -2.474 332 HE2 LYS 42 HE2 LYS 42 -4.729 15.664 -1.111 333 HE3 LYS 42 HE1 LYS 42 -4.966 15.609 -2.857 334 HZ1 LYS 42 HZ1 LYS 42 -5.895 17.633 -1.979 335 HZ2 LYS 42 HZ2 LYS 42 -6.833 16.831 -0.861 336 HZ3 LYS 42 HZ3 LYS 42 -7.164 16.672 -2.512 337 H THR 43 HN THR 43 -7.790 11.684 1.748 338 HA THR 43 HA THR 43 -7.582 10.137 -0.288 339 HB THR 43 HB THR 43 -8.346 8.211 1.276 340 HG1 THR 43 HG1 THR 43 -9.376 9.032 2.885 341 HG21 THR 43 HG21 THR 43 -6.032 8.781 0.772 342 HG22 THR 43 HG22 THR 43 -6.218 8.416 2.490 343 HG23 THR 43 HG23 THR 43 -6.083 10.095 1.951 344 HA PRO 44 HA PRO 44 -11.741 9.891 -2.084 345 HB2 PRO 44 HB2 PRO 44 -10.860 8.964 -4.489 346 HB3 PRO 44 HB1 PRO 44 -10.845 10.679 -4.050 347 HG2 PRO 44 HG2 PRO 44 -8.622 8.666 -3.819 348 HG3 PRO 44 HG1 PRO 44 -8.543 10.257 -4.587 349 HD2 PRO 44 HD2 PRO 44 -7.612 10.030 -2.190 350 HD3 PRO 44 HD1 PRO 44 -8.693 11.367 -2.535 351 H TRP 45 HN TRP 45 -12.226 8.137 -0.624 352 HA TRP 45 HA TRP 45 -11.382 5.482 -0.927 353 HB2 TRP 45 HB2 TRP 45 -12.561 6.175 1.109 354 HB3 TRP 45 HB1 TRP 45 -14.025 6.478 0.185 355 HD1 TRP 45 HD1 TRP 45 -15.366 4.316 -0.706 356 HE1 TRP 45 HE1 TRP 45 -15.509 1.888 0.171 357 HE3 TRP 45 HE3 TRP 45 -11.239 4.299 2.267 358 HZ2 TRP 45 HZ2 TRP 45 -14.052 0.206 1.897 359 HZ3 TRP 45 HZ3 TRP 45 -10.681 2.246 3.497 360 HH2 TRP 45 HH2 TRP 45 -12.059 0.249 3.315 361 H SER 46 HN SER 46 -13.974 7.160 -2.746 362 HA SER 46 HA SER 46 -15.044 4.762 -3.753 363 HB2 SER 46 HB2 SER 46 -15.085 7.522 -4.996 364 HB3 SER 46 HB1 SER 46 -16.065 6.152 -5.517 365 HG SER 46 HG SER 46 -16.659 6.099 -3.166 366 H GLU 47 HN GLU 47 -12.254 6.605 -4.685 367 HA GLU 47 HA GLU 47 -11.925 5.121 -7.110 368 HB2 GLU 47 HB2 GLU 47 -9.970 6.933 -5.672 369 HB3 GLU 47 HB1 GLU 47 -9.723 6.252 -7.277 370 HG2 GLU 47 HG2 GLU 47 -11.847 7.400 -7.971 371 HG3 GLU 47 HG1 GLU 47 -11.805 8.238 -6.426 372 H VAL 48 HN VAL 48 -10.826 4.907 -3.809 373 HA VAL 48 HA VAL 48 -8.900 2.834 -4.333 374 HB VAL 48 HB VAL 48 -8.452 2.752 -2.045 375 HG11 VAL 48 HG11 VAL 48 -9.581 5.451 -2.353 376 HG12 VAL 48 HG12 VAL 48 -7.935 4.909 -2.710 377 HG13 VAL 48 HG13 VAL 48 -8.527 4.928 -1.041 378 HG21 VAL 48 HG21 VAL 48 -10.014 3.331 -0.207 379 HG22 VAL 48 HG22 VAL 48 -10.539 1.962 -1.186 380 HG23 VAL 48 HG23 VAL 48 -11.292 3.533 -1.414 381 H GLU 49 HN GLU 49 -12.236 3.031 -3.833 382 HA GLU 49 HA GLU 49 -12.872 0.464 -2.875 383 HB2 GLU 49 HB2 GLU 49 -14.152 2.747 -3.093 384 HB3 GLU 49 HB1 GLU 49 -14.733 1.987 -4.570 385 HG2 GLU 49 HG2 GLU 49 -14.765 0.579 -1.982 386 HG3 GLU 49 HG1 GLU 49 -16.040 1.703 -2.386 387 H GLU 50 HN GLU 50 -12.878 1.920 -6.103 388 HA GLU 50 HA GLU 50 -13.611 -0.584 -7.283 389 HB2 GLU 50 HB2 GLU 50 -12.960 2.057 -8.568 390 HB3 GLU 50 HB1 GLU 50 -13.628 0.653 -9.393 391 HG2 GLU 50 HG2 GLU 50 -15.593 0.767 -7.937 392 HG3 GLU 50 HG1 GLU 50 -14.940 2.221 -7.185 393 H ALA 51 HN ALA 51 -10.855 0.434 -6.157 394 HA ALA 51 HA ALA 51 -9.140 -0.512 -8.352 395 HB1 ALA 51 HB1 ALA 51 -7.338 0.499 -7.105 396 HB2 ALA 51 HB2 ALA 51 -8.474 0.974 -5.838 397 HB3 ALA 51 HB3 ALA 51 -8.605 1.673 -7.454 398 H ASP 52 HN ASP 52 -8.012 -2.243 -8.216 399 HA ASP 52 HA ASP 52 -7.750 -3.490 -5.623 400 HB2 ASP 52 HB2 ASP 52 -8.243 -5.650 -6.418 401 HB3 ASP 52 HB1 ASP 52 -9.536 -4.624 -7.001 402 H GLY 53 HN GLY 53 -5.853 -4.594 -5.335 403 HA2 GLY 53 HA2 GLY 53 -3.630 -5.043 -5.549 404 HA3 GLY 53 HA1 GLY 53 -4.067 -5.413 -7.206 405 H LYS 54 HN LYS 54 -3.265 -4.280 -8.757 406 HA LYS 54 HA LYS 54 -1.112 -2.482 -8.462 407 HB2 LYS 54 HB2 LYS 54 -1.643 -3.961 -10.411 408 HB3 LYS 54 HB1 LYS 54 -2.870 -2.790 -10.868 409 HG2 LYS 54 HG2 LYS 54 -0.693 -1.218 -10.490 410 HG3 LYS 54 HG1 LYS 54 0.039 -2.672 -11.128 411 HD2 LYS 54 HD2 LYS 54 -0.463 -1.428 -13.049 412 HD3 LYS 54 HD1 LYS 54 -1.804 -2.574 -12.932 413 HE2 LYS 54 HE2 LYS 54 -2.909 -0.516 -13.271 414 HE3 LYS 54 HE1 LYS 54 -2.889 -0.830 -11.516 415 HZ1 LYS 54 HZ1 LYS 54 -0.922 0.895 -12.864 416 HZ2 LYS 54 HZ2 LYS 54 -1.035 0.669 -11.235 417 HZ3 LYS 54 HZ3 LYS 54 -2.239 1.533 -12.055 418 H LYS 55 HN LYS 55 -4.521 -1.950 -9.080 419 HA LYS 55 HA LYS 55 -4.142 0.748 -9.716 420 HB2 LYS 55 HB2 LYS 55 -6.526 -0.903 -9.142 421 HB3 LYS 55 HB1 LYS 55 -6.712 0.838 -9.081 422 HG2 LYS 55 HG2 LYS 55 -5.612 -0.688 -11.419 423 HG3 LYS 55 HG1 LYS 55 -7.304 -0.204 -11.260 424 HD2 LYS 55 HD2 LYS 55 -4.923 1.685 -11.368 425 HD3 LYS 55 HD1 LYS 55 -6.022 1.345 -12.698 426 HE2 LYS 55 HE2 LYS 55 -7.894 2.256 -11.369 427 HE3 LYS 55 HE1 LYS 55 -6.779 2.630 -10.058 428 HZ1 LYS 55 HZ1 LYS 55 -6.778 3.809 -12.782 429 HZ2 LYS 55 HZ2 LYS 55 -5.599 4.115 -11.627 430 HZ3 LYS 55 HZ3 LYS 55 -7.192 4.589 -11.338 431 H LEU 56 HN LEU 56 -4.826 -0.921 -6.756 432 HA LEU 56 HA LEU 56 -5.489 1.366 -5.242 433 HB2 LEU 56 HB2 LEU 56 -6.005 -0.977 -4.551 434 HB3 LEU 56 HB1 LEU 56 -4.305 -1.222 -4.247 435 HG LEU 56 HG LEU 56 -4.359 0.546 -2.514 436 HD11 LEU 56 HD11 LEU 56 -6.523 1.322 -1.665 437 HD12 LEU 56 HD12 LEU 56 -7.327 0.545 -3.030 438 HD13 LEU 56 HD13 LEU 56 -6.206 1.878 -3.306 439 HD21 LEU 56 HD21 LEU 56 -5.591 -0.749 -0.842 440 HD22 LEU 56 HD22 LEU 56 -4.599 -1.775 -1.880 441 HD23 LEU 56 HD23 LEU 56 -6.341 -1.683 -2.137 442 H ALA 57 HN ALA 57 -2.457 -0.323 -5.850 443 HA ALA 57 HA ALA 57 -0.725 1.132 -4.183 444 HB1 ALA 57 HB1 ALA 57 1.061 0.458 -5.723 445 HB2 ALA 57 HB2 ALA 57 -0.144 -0.009 -6.920 446 HB3 ALA 57 HB3 ALA 57 -0.023 -0.895 -5.404 447 H GLU 58 HN GLU 58 -1.989 1.787 -7.316 448 HA GLU 58 HA GLU 58 -0.418 4.008 -8.069 449 HB2 GLU 58 HB2 GLU 58 -1.740 2.503 -9.531 450 HB3 GLU 58 HB1 GLU 58 -3.204 3.187 -8.865 451 HG2 GLU 58 HG2 GLU 58 -2.505 5.377 -9.779 452 HG3 GLU 58 HG1 GLU 58 -1.155 4.552 -10.567 453 H ILE 59 HN ILE 59 -3.306 3.610 -6.148 454 HA ILE 59 HA ILE 59 -3.835 6.439 -6.065 455 HB ILE 59 HB ILE 59 -5.163 4.111 -4.629 456 HG12 ILE 59 HG12 ILE 59 -6.297 5.756 -6.836 457 HG13 ILE 59 HG11 ILE 59 -5.199 4.428 -7.220 458 HG21 ILE 59 HG21 ILE 59 -6.997 5.746 -4.221 459 HG22 ILE 59 HG22 ILE 59 -5.977 7.028 -4.874 460 HG23 ILE 59 HG23 ILE 59 -5.513 6.204 -3.386 461 HD11 ILE 59 HD11 ILE 59 -7.509 3.791 -7.403 462 HD12 ILE 59 HD12 ILE 59 -7.788 4.219 -5.703 463 HD13 ILE 59 HD13 ILE 59 -6.683 2.903 -6.143 464 H LEU 60 HN LEU 60 -2.295 3.996 -4.113 465 HA LEU 60 HA LEU 60 -1.905 5.536 -1.794 466 HB2 LEU 60 HB2 LEU 60 -0.495 3.185 -2.953 467 HB3 LEU 60 HB1 LEU 60 0.385 4.117 -1.770 468 HG LEU 60 HG LEU 60 -0.619 2.200 -0.723 469 HD11 LEU 60 HD11 LEU 60 -1.875 3.232 1.066 470 HD12 LEU 60 HD12 LEU 60 -2.066 4.698 0.106 471 HD13 LEU 60 HD13 LEU 60 -0.458 4.187 0.630 472 HD21 LEU 60 HD21 LEU 60 -3.039 1.891 -0.570 473 HD22 LEU 60 HD22 LEU 60 -2.465 1.791 -2.235 474 HD23 LEU 60 HD23 LEU 60 -3.276 3.254 -1.668 475 H VAL 61 HN VAL 61 -0.012 5.339 -4.792 476 HA VAL 61 HA VAL 61 1.944 7.182 -3.798 477 HB VAL 61 HB VAL 61 2.953 7.176 -6.001 478 HG11 VAL 61 HG11 VAL 61 2.032 4.418 -5.236 479 HG12 VAL 61 HG12 VAL 61 3.444 5.273 -4.616 480 HG13 VAL 61 HG13 VAL 61 3.380 4.784 -6.310 481 HG21 VAL 61 HG21 VAL 61 1.974 5.944 -7.903 482 HG22 VAL 61 HG22 VAL 61 0.971 7.308 -7.403 483 HG23 VAL 61 HG23 VAL 61 0.514 5.668 -6.948 484 H ASN 62 HN ASN 62 -1.112 7.564 -4.995 485 HA ASN 62 HA ASN 62 -0.900 10.065 -6.337 486 HB2 ASN 62 HB2 ASN 62 -2.835 8.617 -6.702 487 HB3 ASN 62 HB1 ASN 62 -3.254 8.694 -5.003 488 HD21 ASN 62 HD21 ASN 62 -5.287 9.405 -5.455 489 HD22 ASN 62 HD22 ASN 62 -5.628 11.001 -6.006 490 H THR 63 HN THR 63 -1.571 9.110 -3.011 491 HA THR 63 HA THR 63 -1.630 11.949 -2.300 492 HB THR 63 HB THR 63 -2.673 11.075 -0.136 493 HG1 THR 63 HG1 THR 63 -2.557 8.956 -0.053 494 HG21 THR 63 HG21 THR 63 -3.922 12.205 -1.895 495 HG22 THR 63 HG22 THR 63 -4.896 10.930 -1.151 496 HG23 THR 63 HG23 THR 63 -4.161 10.675 -2.740 497 H SER 64 HN SER 64 -0.555 8.864 -0.975 498 HA SER 64 HA SER 64 0.819 9.979 1.180 499 HB2 SER 64 HB2 SER 64 1.141 7.294 -0.078 500 HB3 SER 64 HB1 SER 64 1.370 7.729 1.626 501 HG SER 64 HG SER 64 -0.771 6.788 0.562 502 H SER 65 HN SER 65 2.960 10.380 1.451 503 HA SER 65 HA SER 65 4.674 10.793 -0.792 504 HB2 SER 65 HB2 SER 65 5.351 10.675 2.159 505 HB3 SER 65 HB1 SER 65 6.241 11.523 0.889 506 HG SER 65 HG SER 65 3.620 12.211 0.979 507 H GLU 66 HN GLU 66 6.321 9.483 -1.550 508 HA GLU 66 HA GLU 66 5.875 6.756 -1.448 509 HB2 GLU 66 HB2 GLU 66 8.001 6.492 -2.680 510 HB3 GLU 66 HB1 GLU 66 6.949 7.726 -3.349 511 HG2 GLU 66 HG2 GLU 66 8.311 9.455 -2.280 512 HG3 GLU 66 HG1 GLU 66 9.355 8.191 -1.622 513 H ASN 67 HN ASN 67 8.219 8.577 0.410 514 HA ASN 67 HA ASN 67 9.431 6.194 1.461 515 HB2 ASN 67 HB2 ASN 67 10.751 8.275 1.218 516 HB3 ASN 67 HB1 ASN 67 9.722 9.056 2.410 517 HD21 ASN 67 HD21 ASN 67 10.051 8.660 4.569 518 HD22 ASN 67 HD22 ASN 67 11.386 7.769 5.175 519 H TRP 68 HN TRP 68 6.680 7.920 2.162 520 HA TRP 68 HA TRP 68 6.470 7.083 4.921 521 HB2 TRP 68 HB2 TRP 68 5.493 9.223 4.178 522 HB3 TRP 68 HB1 TRP 68 4.487 8.374 3.022 523 HD1 TRP 68 HD1 TRP 68 4.706 9.321 6.664 524 HE1 TRP 68 HE1 TRP 68 2.445 8.753 7.827 525 HE3 TRP 68 HE3 TRP 68 2.532 6.624 2.944 526 HZ2 TRP 68 HZ2 TRP 68 0.093 7.354 7.208 527 HZ3 TRP 68 HZ3 TRP 68 0.290 5.722 3.281 528 HH2 TRP 68 HH2 TRP 68 -0.896 6.059 5.345 529 H ILE 69 HN ILE 69 5.191 6.297 1.732 530 HA ILE 69 HA ILE 69 3.235 4.408 2.431 531 HB ILE 69 HB ILE 69 4.836 4.287 -0.142 532 HG12 ILE 69 HG12 ILE 69 2.306 5.797 0.397 533 HG13 ILE 69 HG11 ILE 69 3.888 6.576 0.327 534 HG21 ILE 69 HG21 ILE 69 2.763 3.295 -1.025 535 HG22 ILE 69 HG22 ILE 69 2.009 3.478 0.558 536 HG23 ILE 69 HG23 ILE 69 3.364 2.373 0.359 537 HD11 ILE 69 HD11 ILE 69 4.093 5.797 -2.014 538 HD12 ILE 69 HD12 ILE 69 2.725 6.874 -1.755 539 HD13 ILE 69 HD13 ILE 69 2.462 5.136 -1.906 540 H ARG 70 HN ARG 70 6.653 4.033 1.742 541 HA ARG 70 HA ARG 70 6.853 1.308 1.455 542 HB2 ARG 70 HB2 ARG 70 9.212 1.511 2.014 543 HB3 ARG 70 HB1 ARG 70 8.721 2.913 1.083 544 HG2 ARG 70 HG2 ARG 70 8.494 4.137 3.281 545 HG3 ARG 70 HG1 ARG 70 9.272 2.749 4.032 546 HD2 ARG 70 HD2 ARG 70 10.432 4.498 1.868 547 HD3 ARG 70 HD1 ARG 70 10.883 4.521 3.566 548 HE ARG 70 HE ARG 70 11.228 1.946 2.524 549 HH11 ARG 70 HH11 ARG 70 12.685 5.177 2.393 550 HH12 ARG 70 HH12 ARG 70 14.204 4.621 1.872 551 HH21 ARG 70 HH21 ARG 70 13.262 1.183 1.826 552 HH22 ARG 70 HH22 ARG 70 14.564 2.257 1.537 553 H ASN 71 HN ASN 71 6.763 3.137 4.448 554 HA ASN 71 HA ASN 71 7.047 0.756 6.096 555 HB2 ASN 71 HB2 ASN 71 8.040 2.961 6.773 556 HB3 ASN 71 HB1 ASN 71 6.410 3.603 6.858 557 HD21 ASN 71 HD21 ASN 71 5.085 3.055 8.609 558 HD22 ASN 71 HD22 ASN 71 5.691 2.277 10.007 559 H ALA 72 HN ALA 72 4.628 3.020 5.031 560 HA ALA 72 HA ALA 72 2.516 2.522 6.731 561 HB1 ALA 72 HB1 ALA 72 1.085 3.413 5.048 562 HB2 ALA 72 HB2 ALA 72 2.319 3.143 3.819 563 HB3 ALA 72 HB3 ALA 72 2.595 4.326 5.103 564 H THR 73 HN THR 73 3.140 1.022 3.580 565 HA THR 73 HA THR 73 0.889 -0.667 3.696 566 HB THR 73 HB THR 73 1.937 -0.119 1.537 567 HG1 THR 73 HG1 THR 73 1.492 -2.722 2.339 568 HG21 THR 73 HG21 THR 73 4.060 -1.112 0.869 569 HG22 THR 73 HG22 THR 73 4.248 -1.813 2.478 570 HG23 THR 73 HG23 THR 73 4.273 -0.064 2.271 571 H VAL 74 HN VAL 74 4.193 -1.036 4.807 572 HA VAL 74 HA VAL 74 4.079 -3.824 5.195 573 HB VAL 74 HB VAL 74 5.891 -1.730 6.440 574 HG11 VAL 74 HG11 VAL 74 6.090 -4.728 6.479 575 HG12 VAL 74 HG12 VAL 74 5.728 -3.695 7.863 576 HG13 VAL 74 HG13 VAL 74 7.307 -3.606 7.084 577 HG21 VAL 74 HG21 VAL 74 6.357 -3.722 4.224 578 HG22 VAL 74 HG22 VAL 74 7.565 -2.634 4.891 579 HG23 VAL 74 HG23 VAL 74 6.172 -1.978 4.026 580 H ASN 75 HN ASN 75 3.511 -1.049 7.276 581 HA ASN 75 HA ASN 75 2.967 -2.437 9.665 582 HB2 ASN 75 HB2 ASN 75 3.282 0.063 9.450 583 HB3 ASN 75 HB1 ASN 75 1.669 0.144 8.755 584 HD21 ASN 75 HD21 ASN 75 0.901 1.453 10.420 585 HD22 ASN 75 HD22 ASN 75 0.622 0.846 12.011 586 H ILE 76 HN ILE 76 0.821 -1.506 6.999 587 HA ILE 76 HA ILE 76 -1.552 -2.545 8.165 588 HB ILE 76 HB ILE 76 -0.986 -2.385 5.180 589 HG12 ILE 76 HG12 ILE 76 -0.630 -0.180 6.295 590 HG13 ILE 76 HG11 ILE 76 -1.987 -0.158 5.176 591 HG21 ILE 76 HG21 ILE 76 -2.940 -3.722 5.729 592 HG22 ILE 76 HG22 ILE 76 -3.435 -2.211 4.967 593 HG23 ILE 76 HG23 ILE 76 -3.589 -2.411 6.712 594 HD11 ILE 76 HD11 ILE 76 -2.466 1.101 7.161 595 HD12 ILE 76 HD12 ILE 76 -2.124 -0.298 8.185 596 HD13 ILE 76 HD13 ILE 76 -3.514 -0.311 7.091 597 H LEU 77 HN LEU 77 0.847 -4.022 5.993 598 HA LEU 77 HA LEU 77 -0.323 -6.573 5.787 599 HB2 LEU 77 HB2 LEU 77 2.495 -5.577 5.567 600 HB3 LEU 77 HB1 LEU 77 2.181 -7.298 5.562 601 HG LEU 77 HG LEU 77 0.507 -5.877 3.647 602 HD11 LEU 77 HD11 LEU 77 2.360 -5.461 2.052 603 HD12 LEU 77 HD12 LEU 77 3.534 -5.911 3.290 604 HD13 LEU 77 HD13 LEU 77 2.558 -4.459 3.486 605 HD21 LEU 77 HD21 LEU 77 1.274 -7.641 2.213 606 HD22 LEU 77 HD22 LEU 77 0.799 -8.289 3.789 607 HD23 LEU 77 HD23 LEU 77 2.503 -8.094 3.390 608 H GLU 78 HN GLU 78 1.931 -5.275 8.164 609 HA GLU 78 HA GLU 78 2.133 -7.550 9.764 610 HB2 GLU 78 HB2 GLU 78 2.523 -4.624 10.284 611 HB3 GLU 78 HB1 GLU 78 2.660 -5.746 11.613 612 HG2 GLU 78 HG2 GLU 78 4.447 -6.939 10.305 613 HG3 GLU 78 HG1 GLU 78 4.346 -5.650 9.106 614 H GLU 79 HN GLU 79 -0.243 -4.956 9.746 615 HA GLU 79 HA GLU 79 -1.704 -5.776 12.028 616 HB2 GLU 79 HB2 GLU 79 -2.504 -4.186 9.633 617 HB3 GLU 79 HB1 GLU 79 -3.547 -4.376 11.030 618 HG2 GLU 79 HG2 GLU 79 -0.835 -3.049 10.981 619 HG3 GLU 79 HG1 GLU 79 -2.387 -2.221 11.030 620 H MET 80 HN MET 80 -1.605 -6.974 8.777 621 HA MET 80 HA MET 80 -4.149 -8.368 9.076 622 HB2 MET 80 HB2 MET 80 -2.186 -8.315 6.774 623 HB3 MET 80 HB1 MET 80 -3.685 -9.230 6.782 624 HG2 MET 80 HG2 MET 80 -4.935 -7.126 7.002 625 HG3 MET 80 HG1 MET 80 -3.421 -6.237 6.953 626 HE1 MET 80 HE1 MET 80 -5.112 -8.664 3.406 627 HE2 MET 80 HE2 MET 80 -5.915 -8.526 4.969 628 HE3 MET 80 HE3 MET 80 -4.412 -9.436 4.827 629 H ASN 81 HN ASN 81 -1.084 -8.807 10.044 630 HA ASN 81 HA ASN 81 0.104 -10.501 10.961 631 HB2 ASN 81 HB2 ASN 81 -2.158 -11.216 11.922 632 HB3 ASN 81 HB1 ASN 81 -2.369 -12.208 10.505 633 HD21 ASN 81 HD21 ASN 81 -1.579 -14.126 10.516 634 HD22 ASN 81 HD22 ASN 81 -0.653 -14.888 11.772 635 H LEU 82 HN LEU 82 -0.124 -9.958 8.079 636 HA LEU 82 HA LEU 82 0.414 -12.433 6.710 637 HB2 LEU 82 HB2 LEU 82 0.657 -9.529 5.941 638 HB3 LEU 82 HB1 LEU 82 1.029 -10.835 4.830 639 HG LEU 82 HG LEU 82 -1.690 -10.322 6.068 640 HD11 LEU 82 HD11 LEU 82 -2.343 -9.619 3.803 641 HD12 LEU 82 HD12 LEU 82 -0.671 -9.748 3.282 642 HD13 LEU 82 HD13 LEU 82 -1.130 -8.553 4.500 643 HD21 LEU 82 HD21 LEU 82 -2.459 -11.893 4.386 644 HD22 LEU 82 HD22 LEU 82 -1.331 -12.647 5.527 645 HD23 LEU 82 HD23 LEU 82 -0.785 -12.175 3.907 646 H THR 83 HN THR 83 2.451 -13.283 6.265 647 HA THR 83 HA THR 83 4.678 -11.701 7.323 648 HB THR 83 HB THR 83 5.823 -13.991 7.570 649 HG1 THR 83 HG1 THR 83 3.100 -14.824 7.578 650 HG21 THR 83 HG21 THR 83 5.289 -12.600 9.433 651 HG22 THR 83 HG22 THR 83 4.922 -14.282 9.823 652 HG23 THR 83 HG23 THR 83 3.607 -13.153 9.420 653 H GLU 84 HN GLU 84 3.907 -14.261 5.100 654 HA GLU 84 HA GLU 84 6.209 -14.480 3.671 655 HB2 GLU 84 HB2 GLU 84 4.633 -15.122 1.708 656 HB3 GLU 84 HB1 GLU 84 4.655 -16.097 3.163 657 HG2 GLU 84 HG2 GLU 84 2.602 -13.921 2.816 658 HG3 GLU 84 HG1 GLU 84 2.350 -15.519 2.092 659 H LEU 85 HN LEU 85 3.532 -12.522 2.441 660 HA LEU 85 HA LEU 85 5.333 -11.233 0.647 661 HB2 LEU 85 HB2 LEU 85 3.444 -9.985 -0.213 662 HB3 LEU 85 HB1 LEU 85 3.075 -11.677 -0.118 663 HG LEU 85 HG LEU 85 2.058 -9.579 1.810 664 HD11 LEU 85 HD11 LEU 85 0.694 -10.948 -0.493 665 HD12 LEU 85 HD12 LEU 85 1.199 -9.258 -0.439 666 HD13 LEU 85 HD13 LEU 85 -0.056 -9.842 0.656 667 HD21 LEU 85 HD21 LEU 85 1.301 -12.486 1.442 668 HD22 LEU 85 HD22 LEU 85 0.414 -11.325 2.417 669 HD23 LEU 85 HD23 LEU 85 2.058 -11.761 2.872 670 H CYS 86 HN CYS 86 4.246 -10.562 3.779 671 HA CYS 86 HA CYS 86 4.645 -7.738 3.790 672 HB2 CYS 86 HB2 CYS 86 3.368 -8.967 5.492 673 HB3 CYS 86 HB1 CYS 86 4.865 -9.803 5.867 674 HG CYS 86 HG CYS 86 3.873 -7.670 7.742 675 H LYS 87 HN LYS 87 6.650 -10.536 4.514 676 HA LYS 87 HA LYS 87 8.971 -9.068 5.147 677 HB2 LYS 87 HB2 LYS 87 8.428 -11.942 4.493 678 HB3 LYS 87 HB1 LYS 87 10.049 -11.350 4.859 679 HG2 LYS 87 HG2 LYS 87 9.476 -10.772 7.050 680 HG3 LYS 87 HG1 LYS 87 7.748 -10.844 6.712 681 HD2 LYS 87 HD2 LYS 87 8.650 -12.741 8.072 682 HD3 LYS 87 HD1 LYS 87 7.792 -13.217 6.609 683 HE2 LYS 87 HE2 LYS 87 9.811 -13.593 5.471 684 HE3 LYS 87 HE1 LYS 87 10.780 -12.953 6.805 685 HZ1 LYS 87 HZ1 LYS 87 10.757 -15.385 6.777 686 HZ2 LYS 87 HZ2 LYS 87 9.076 -15.400 6.898 687 HZ3 LYS 87 HZ3 LYS 87 10.007 -14.802 8.168 688 H MET 88 HN MET 88 7.517 -10.147 2.237 689 HA MET 88 HA MET 88 9.745 -9.868 0.518 690 HB2 MET 88 HB2 MET 88 7.533 -10.975 -0.005 691 HB3 MET 88 HB1 MET 88 6.823 -9.385 -0.079 692 HG2 MET 88 HG2 MET 88 8.325 -8.789 -1.923 693 HG3 MET 88 HG1 MET 88 8.976 -10.430 -1.886 694 HE1 MET 88 HE1 MET 88 8.464 -10.849 -4.413 695 HE2 MET 88 HE2 MET 88 7.874 -9.193 -4.550 696 HE3 MET 88 HE3 MET 88 6.908 -10.526 -5.178 697 H ALA 89 HN ALA 89 7.282 -7.751 1.817 698 HA ALA 89 HA ALA 89 8.086 -5.419 0.408 699 HB1 ALA 89 HB1 ALA 89 6.563 -5.595 3.006 700 HB2 ALA 89 HB2 ALA 89 5.861 -5.709 1.397 701 HB3 ALA 89 HB3 ALA 89 6.632 -4.205 1.905 702 H LYS 90 HN LYS 90 8.812 -6.857 3.520 703 HA LYS 90 HA LYS 90 10.442 -4.902 4.702 704 HB2 LYS 90 HB2 LYS 90 10.641 -7.907 4.884 705 HB3 LYS 90 HB1 LYS 90 11.564 -6.804 5.872 706 HG2 LYS 90 HG2 LYS 90 8.565 -6.970 5.850 707 HG3 LYS 90 HG1 LYS 90 9.623 -7.756 7.028 708 HD2 LYS 90 HD2 LYS 90 10.540 -5.488 7.570 709 HD3 LYS 90 HD1 LYS 90 9.281 -4.843 6.498 710 HE2 LYS 90 HE2 LYS 90 7.552 -5.786 7.867 711 HE3 LYS 90 HE1 LYS 90 8.755 -6.567 8.895 712 HZ1 LYS 90 HZ1 LYS 90 8.633 -3.629 8.566 713 HZ2 LYS 90 HZ2 LYS 90 9.413 -4.514 9.768 714 HZ3 LYS 90 HZ3 LYS 90 7.710 -4.455 9.718 715 H ALA 91 HN ALA 91 11.102 -7.120 2.147 716 HA ALA 91 HA ALA 91 13.958 -6.748 2.335 717 HB1 ALA 91 HB1 ALA 91 12.354 -8.132 0.213 718 HB2 ALA 91 HB2 ALA 91 12.884 -8.905 1.708 719 HB3 ALA 91 HB3 ALA 91 14.079 -8.338 0.538 720 H GLU 92 HN GLU 92 11.326 -5.346 0.714 721 HA GLU 92 HA GLU 92 13.044 -4.246 -1.398 722 HB2 GLU 92 HB2 GLU 92 10.170 -4.918 -1.266 723 HB3 GLU 92 HB1 GLU 92 10.877 -4.045 -2.633 724 HG2 GLU 92 HG2 GLU 92 11.764 -6.727 -1.645 725 HG3 GLU 92 HG1 GLU 92 10.586 -6.537 -2.926 726 H MET 93 HN MET 93 9.920 -3.302 0.065 727 HA MET 93 HA MET 93 10.517 -0.534 -0.365 728 HB2 MET 93 HB2 MET 93 8.092 -1.986 0.627 729 HB3 MET 93 HB1 MET 93 8.270 -0.252 0.956 730 HG2 MET 93 HG2 MET 93 8.524 0.096 -1.458 731 HG3 MET 93 HG1 MET 93 8.320 -1.641 -1.698 732 HE1 MET 93 HE1 MET 93 6.120 -2.406 0.443 733 HE2 MET 93 HE2 MET 93 6.279 -2.978 -1.209 734 HE3 MET 93 HE3 MET 93 4.739 -2.341 -0.655 735 H MET 94 HN MET 94 10.118 -2.606 2.441 736 HA MET 94 HA MET 94 11.095 -2.627 4.493 737 HB2 MET 94 HB2 MET 94 12.938 -0.529 3.353 738 HB3 MET 94 HB1 MET 94 13.210 -1.453 4.820 739 HG2 MET 94 HG2 MET 94 13.342 -3.490 3.529 740 HG3 MET 94 HG1 MET 94 12.985 -2.597 2.057 741 HE1 MET 94 HE1 MET 94 15.270 -1.491 5.071 742 HE2 MET 94 HE2 MET 94 16.838 -2.075 4.532 743 HE3 MET 94 HE3 MET 94 15.565 -3.227 4.940 744 H GLU 95 HN GLU 95 11.984 -1.011 6.276 745 HA GLU 95 HA GLU 95 9.900 0.875 6.862 746 HB2 GLU 95 HB2 GLU 95 12.380 -0.065 8.308 747 HB3 GLU 95 HB1 GLU 95 11.488 1.326 8.879 748 HG2 GLU 95 HG2 GLU 95 10.910 -0.660 10.129 749 HG3 GLU 95 HG1 GLU 95 9.523 -0.068 9.235 750 H ASP 96 HN ASP 96 11.077 2.984 7.970 751 HA ASP 96 HA ASP 96 11.971 4.516 5.789 752 HB2 ASP 96 HB2 ASP 96 10.832 5.574 7.666 753 HB3 ASP 96 HB1 ASP 96 12.130 5.096 8.751 754 H GLY 97 HN GLY 97 13.756 3.653 8.707 755 HA2 GLY 97 HA2 GLY 97 15.915 2.436 8.079 756 HA3 GLY 97 HA1 GLY 97 16.226 3.897 7.135 757 H GLN 98 HN GLN 98 15.351 2.861 10.370 758 HA GLN 98 HA GLN 98 16.777 5.139 11.482 759 HB2 GLN 98 HB2 GLN 98 15.283 2.913 12.885 760 HB3 GLN 98 HB1 GLN 98 15.980 4.323 13.647 761 HG2 GLN 98 HG2 GLN 98 13.664 4.760 13.541 762 HG3 GLN 98 HG1 GLN 98 14.402 5.698 12.245 763 HE21 GLN 98 HE21 GLN 98 12.352 5.816 11.273 764 HE22 GLN 98 HE22 GLN 98 11.675 4.486 10.404 Start of MODEL 10 1 H MET 3 HT1 MET 3 13.622 7.922 -4.481 2 HA MET 3 HA MET 3 14.537 5.786 -4.766 3 HB2 MET 3 HB2 MET 3 13.576 4.822 -2.641 4 HB3 MET 3 HB1 MET 3 12.001 4.814 -3.406 5 HG2 MET 3 HG2 MET 3 12.709 3.156 -4.997 6 HG3 MET 3 HG1 MET 3 14.364 3.246 -4.414 7 HE1 MET 3 HE1 MET 3 10.707 2.152 -3.580 8 HE2 MET 3 HE2 MET 3 11.060 3.226 -2.217 9 HE3 MET 3 HE3 MET 3 10.872 1.492 -1.953 10 H THR 4 HN THR 4 14.025 4.717 -6.750 11 HA THR 4 HA THR 4 12.581 6.104 -8.598 12 HB THR 4 HB THR 4 12.437 3.927 -9.843 13 HG1 THR 4 HG1 THR 4 12.700 2.739 -7.744 14 HG21 THR 4 HG21 THR 4 14.872 3.940 -10.331 15 HG22 THR 4 HG22 THR 4 15.129 4.918 -8.888 16 HG23 THR 4 HG23 THR 4 14.203 5.570 -10.241 17 H SER 5 HN SER 5 10.570 6.363 -9.079 18 HA SER 5 HA SER 5 8.639 5.314 -7.349 19 HB2 SER 5 HB2 SER 5 7.024 6.705 -8.806 20 HB3 SER 5 HB1 SER 5 8.241 7.535 -7.840 21 HG SER 5 HG SER 5 7.865 7.502 -10.495 22 HA PRO 6 HA PRO 6 6.800 2.977 -11.334 23 HB2 PRO 6 HB2 PRO 6 9.513 2.283 -12.367 24 HB3 PRO 6 HB1 PRO 6 8.012 2.446 -13.270 25 HG2 PRO 6 HG2 PRO 6 9.734 4.402 -13.400 26 HG3 PRO 6 HG1 PRO 6 8.035 4.805 -13.080 27 HD2 PRO 6 HD2 PRO 6 10.330 4.658 -11.159 28 HD3 PRO 6 HD1 PRO 6 9.046 5.880 -11.277 29 H GLN 7 HN GLN 7 9.994 2.097 -10.134 30 HA GLN 7 HA GLN 7 9.350 -0.660 -9.838 31 HB2 GLN 7 HB2 GLN 7 11.704 0.964 -8.906 32 HB3 GLN 7 HB1 GLN 7 11.588 -0.782 -8.685 33 HG2 GLN 7 HG2 GLN 7 11.501 -1.143 -11.045 34 HG3 GLN 7 HG1 GLN 7 11.387 0.585 -11.350 35 HE21 GLN 7 HE21 GLN 7 13.190 1.798 -11.329 36 HE22 GLN 7 HE22 GLN 7 14.786 1.147 -11.197 37 H LEU 8 HN LEU 8 9.228 2.092 -7.774 38 HA LEU 8 HA LEU 8 8.819 0.753 -5.311 39 HB2 LEU 8 HB2 LEU 8 9.549 3.047 -5.339 40 HB3 LEU 8 HB1 LEU 8 8.218 3.512 -6.359 41 HG LEU 8 HG LEU 8 8.248 4.285 -3.937 42 HD11 LEU 8 HD11 LEU 8 5.771 2.951 -4.990 43 HD12 LEU 8 HD12 LEU 8 6.323 4.584 -5.352 44 HD13 LEU 8 HD13 LEU 8 5.833 4.167 -3.709 45 HD21 LEU 8 HD21 LEU 8 7.218 2.804 -2.328 46 HD22 LEU 8 HD22 LEU 8 8.774 2.174 -2.869 47 HD23 LEU 8 HD23 LEU 8 7.267 1.477 -3.488 48 H GLU 9 HN GLU 9 6.683 2.193 -7.705 49 HA GLU 9 HA GLU 9 4.243 1.465 -6.554 50 HB2 GLU 9 HB2 GLU 9 4.649 3.140 -8.353 51 HB3 GLU 9 HB1 GLU 9 4.889 1.817 -9.484 52 HG2 GLU 9 HG2 GLU 9 2.563 1.054 -8.907 53 HG3 GLU 9 HG1 GLU 9 2.368 2.575 -8.038 54 H TRP 10 HN TRP 10 6.425 -0.146 -8.833 55 HA TRP 10 HA TRP 10 4.966 -2.427 -9.342 56 HB2 TRP 10 HB2 TRP 10 7.018 -2.071 -10.565 57 HB3 TRP 10 HB1 TRP 10 7.957 -2.083 -9.076 58 HD1 TRP 10 HD1 TRP 10 5.989 -4.521 -11.335 59 HE1 TRP 10 HE1 TRP 10 6.880 -6.907 -10.924 60 HE3 TRP 10 HE3 TRP 10 9.214 -3.545 -7.497 61 HZ2 TRP 10 HZ2 TRP 10 8.698 -8.191 -9.211 62 HZ3 TRP 10 HZ3 TRP 10 10.483 -5.408 -6.525 63 HH2 TRP 10 HH2 TRP 10 10.226 -7.679 -7.359 64 H THR 11 HN THR 11 7.180 -1.756 -6.660 65 HA THR 11 HA THR 11 6.992 -4.300 -5.508 66 HB THR 11 HB THR 11 7.457 -1.720 -3.995 67 HG1 THR 11 HG1 THR 11 8.946 -2.148 -5.899 68 HG21 THR 11 HG21 THR 11 8.766 -3.198 -2.518 69 HG22 THR 11 HG22 THR 11 8.247 -4.587 -3.479 70 HG23 THR 11 HG23 THR 11 7.062 -3.644 -2.575 71 H LEU 12 HN LEU 12 5.153 -1.383 -4.914 72 HA LEU 12 HA LEU 12 3.497 -2.362 -2.898 73 HB2 LEU 12 HB2 LEU 12 3.154 -0.301 -4.990 74 HB3 LEU 12 HB1 LEU 12 1.900 -0.577 -3.783 75 HG LEU 12 HG LEU 12 4.727 0.380 -3.281 76 HD11 LEU 12 HD11 LEU 12 3.615 2.456 -2.602 77 HD12 LEU 12 HD12 LEU 12 2.054 1.766 -3.067 78 HD13 LEU 12 HD13 LEU 12 3.286 2.066 -4.290 79 HD21 LEU 12 HD21 LEU 12 3.945 0.697 -0.968 80 HD22 LEU 12 HD22 LEU 12 3.979 -0.996 -1.437 81 HD23 LEU 12 HD23 LEU 12 2.441 -0.128 -1.378 82 H GLN 13 HN GLN 13 3.015 -2.211 -6.423 83 HA GLN 13 HA GLN 13 0.438 -3.323 -6.342 84 HB2 GLN 13 HB2 GLN 13 0.503 -3.430 -8.711 85 HB3 GLN 13 HB1 GLN 13 1.427 -2.004 -8.265 86 HG2 GLN 13 HG2 GLN 13 3.481 -3.486 -8.504 87 HG3 GLN 13 HG1 GLN 13 2.409 -4.650 -9.264 88 HE21 GLN 13 HE21 GLN 13 2.230 -1.155 -9.589 89 HE22 GLN 13 HE22 GLN 13 2.596 -1.121 -11.269 90 H THR 14 HN THR 14 3.615 -4.800 -6.627 91 HA THR 14 HA THR 14 2.742 -7.372 -7.276 92 HB THR 14 HB THR 14 5.228 -6.499 -5.788 93 HG1 THR 14 HG1 THR 14 5.409 -5.569 -7.709 94 HG21 THR 14 HG21 THR 14 4.707 -9.021 -7.386 95 HG22 THR 14 HG22 THR 14 4.865 -8.951 -5.625 96 HG23 THR 14 HG23 THR 14 6.241 -8.551 -6.663 97 H LEU 15 HN LEU 15 3.044 -5.738 -4.198 98 HA LEU 15 HA LEU 15 2.495 -8.044 -2.599 99 HB2 LEU 15 HB2 LEU 15 2.202 -5.101 -2.014 100 HB3 LEU 15 HB1 LEU 15 2.099 -6.374 -0.816 101 HG LEU 15 HG LEU 15 4.571 -5.859 -2.463 102 HD11 LEU 15 HD11 LEU 15 4.056 -3.900 -1.074 103 HD12 LEU 15 HD12 LEU 15 5.467 -4.779 -0.478 104 HD13 LEU 15 HD13 LEU 15 3.913 -4.955 0.338 105 HD21 LEU 15 HD21 LEU 15 4.109 -7.434 0.079 106 HD22 LEU 15 HD22 LEU 15 5.647 -7.202 -0.717 107 HD23 LEU 15 HD23 LEU 15 4.375 -8.118 -1.523 108 H LEU 16 HN LEU 16 0.632 -5.314 -3.795 109 HA LEU 16 HA LEU 16 -1.775 -6.237 -2.642 110 HB2 LEU 16 HB2 LEU 16 -1.099 -3.947 -4.447 111 HB3 LEU 16 HB1 LEU 16 -2.773 -4.380 -4.169 112 HG LEU 16 HG LEU 16 -2.569 -3.883 -1.792 113 HD11 LEU 16 HD11 LEU 16 0.304 -3.192 -2.325 114 HD12 LEU 16 HD12 LEU 16 -0.288 -4.587 -1.417 115 HD13 LEU 16 HD13 LEU 16 -0.573 -2.947 -0.808 116 HD21 LEU 16 HD21 LEU 16 -2.132 -1.500 -1.903 117 HD22 LEU 16 HD22 LEU 16 -3.109 -2.085 -3.249 118 HD23 LEU 16 HD23 LEU 16 -1.404 -1.716 -3.499 119 H GLU 17 HN GLU 17 -0.229 -7.027 -5.582 120 HA GLU 17 HA GLU 17 -2.627 -8.030 -6.819 121 HB2 GLU 17 HB2 GLU 17 0.287 -8.441 -7.466 122 HB3 GLU 17 HB1 GLU 17 -1.005 -9.223 -8.355 123 HG2 GLU 17 HG2 GLU 17 -1.867 -6.971 -8.968 124 HG3 GLU 17 HG1 GLU 17 -0.463 -6.248 -8.203 125 H GLN 18 HN GLN 18 -0.375 -9.080 -4.521 126 HA GLN 18 HA GLN 18 -1.081 -11.861 -4.753 127 HB2 GLN 18 HB2 GLN 18 0.594 -10.312 -2.787 128 HB3 GLN 18 HB1 GLN 18 0.213 -12.011 -2.548 129 HG2 GLN 18 HG2 GLN 18 1.388 -12.615 -4.540 130 HG3 GLN 18 HG1 GLN 18 1.604 -10.922 -4.974 131 HE21 GLN 18 HE21 GLN 18 3.142 -9.763 -4.013 132 HE22 GLN 18 HE22 GLN 18 4.400 -10.406 -3.002 133 H LEU 19 HN LEU 19 -1.807 -9.101 -2.715 134 HA LEU 19 HA LEU 19 -3.853 -10.693 -1.352 135 HB2 LEU 19 HB2 LEU 19 -3.607 -9.342 0.525 136 HB3 LEU 19 HB1 LEU 19 -1.968 -9.564 -0.076 137 HG LEU 19 HG LEU 19 -2.758 -7.246 -1.281 138 HD11 LEU 19 HD11 LEU 19 -3.973 -7.193 1.439 139 HD12 LEU 19 HD12 LEU 19 -4.740 -7.044 -0.150 140 HD13 LEU 19 HD13 LEU 19 -3.656 -5.770 0.422 141 HD21 LEU 19 HD21 LEU 19 -0.598 -7.601 -0.293 142 HD22 LEU 19 HD22 LEU 19 -1.276 -7.397 1.344 143 HD23 LEU 19 HD23 LEU 19 -1.301 -6.064 0.164 144 H ASN 20 HN ASN 20 -5.799 -10.346 -2.318 145 HA ASN 20 HA ASN 20 -6.866 -7.744 -2.373 146 HB2 ASN 20 HB2 ASN 20 -7.313 -7.462 -4.849 147 HB3 ASN 20 HB1 ASN 20 -5.644 -7.269 -4.335 148 HD21 ASN 20 HD21 ASN 20 -4.221 -8.822 -4.744 149 HD22 ASN 20 HD22 ASN 20 -4.397 -9.987 -6.030 150 H GLU 21 HN GLU 21 -7.287 -11.082 -3.063 151 HA GLU 21 HA GLU 21 -9.771 -11.242 -4.191 152 HB2 GLU 21 HB2 GLU 21 -8.232 -13.104 -3.711 153 HB3 GLU 21 HB1 GLU 21 -8.655 -13.007 -2.011 154 HG2 GLU 21 HG2 GLU 21 -10.933 -13.656 -2.536 155 HG3 GLU 21 HG1 GLU 21 -10.531 -13.701 -4.257 156 H ASP 22 HN ASP 22 -9.471 -11.793 -0.648 157 HA ASP 22 HA ASP 22 -11.770 -9.983 -0.347 158 HB2 ASP 22 HB2 ASP 22 -12.283 -12.307 0.331 159 HB3 ASP 22 HB1 ASP 22 -10.931 -12.284 1.470 160 H GLU 23 HN GLU 23 -8.633 -10.633 0.152 161 HA GLU 23 HA GLU 23 -7.761 -9.692 2.573 162 HB2 GLU 23 HB2 GLU 23 -6.126 -9.052 0.261 163 HB3 GLU 23 HB1 GLU 23 -5.672 -9.986 1.671 164 HG2 GLU 23 HG2 GLU 23 -7.134 -10.857 -0.821 165 HG3 GLU 23 HG1 GLU 23 -5.509 -11.321 -0.358 166 H LEU 24 HN LEU 24 -8.410 -7.982 -0.418 167 HA LEU 24 HA LEU 24 -7.071 -5.563 0.209 168 HB2 LEU 24 HB2 LEU 24 -8.229 -6.548 -2.071 169 HB3 LEU 24 HB1 LEU 24 -9.430 -5.431 -1.520 170 HG LEU 24 HG LEU 24 -7.780 -3.620 -1.482 171 HD11 LEU 24 HD11 LEU 24 -5.658 -3.952 -2.682 172 HD12 LEU 24 HD12 LEU 24 -5.987 -5.681 -2.767 173 HD13 LEU 24 HD13 LEU 24 -5.738 -4.905 -1.205 174 HD21 LEU 24 HD21 LEU 24 -8.084 -5.057 -4.108 175 HD22 LEU 24 HD22 LEU 24 -7.683 -3.349 -3.890 176 HD23 LEU 24 HD23 LEU 24 -9.258 -3.955 -3.385 177 H LYS 25 HN LYS 25 -10.228 -6.772 0.828 178 HA LYS 25 HA LYS 25 -11.591 -4.384 1.427 179 HB2 LYS 25 HB2 LYS 25 -12.011 -7.218 2.367 180 HB3 LYS 25 HB1 LYS 25 -13.210 -5.923 2.470 181 HG2 LYS 25 HG2 LYS 25 -13.582 -5.898 0.213 182 HG3 LYS 25 HG1 LYS 25 -12.003 -6.539 -0.178 183 HD2 LYS 25 HD2 LYS 25 -13.635 -8.196 -0.719 184 HD3 LYS 25 HD1 LYS 25 -12.727 -8.712 0.693 185 HE2 LYS 25 HE2 LYS 25 -15.242 -7.236 1.042 186 HE3 LYS 25 HE1 LYS 25 -15.289 -8.958 0.596 187 HZ1 LYS 25 HZ1 LYS 25 -14.074 -9.501 2.555 188 HZ2 LYS 25 HZ2 LYS 25 -15.402 -8.585 3.033 189 HZ3 LYS 25 HZ3 LYS 25 -13.891 -7.892 3.027 190 H SER 26 HN SER 26 -9.709 -6.689 3.403 191 HA SER 26 HA SER 26 -10.037 -5.537 5.873 192 HB2 SER 26 HB2 SER 26 -7.859 -7.063 4.539 193 HB3 SER 26 HB1 SER 26 -8.016 -6.846 6.257 194 HG SER 26 HG SER 26 -9.710 -8.194 6.288 195 H PHE 27 HN PHE 27 -7.528 -5.339 3.412 196 HA PHE 27 HA PHE 27 -5.708 -3.654 4.619 197 HB2 PHE 27 HB2 PHE 27 -5.359 -5.050 2.642 198 HB3 PHE 27 HB1 PHE 27 -6.398 -3.995 1.711 199 HD1 PHE 27 HD2 PHE 27 -5.515 -1.633 1.219 200 HD2 PHE 27 HD1 PHE 27 -3.092 -4.658 2.961 201 HE1 PHE 27 HE2 PHE 27 -3.495 -0.370 0.599 202 HE2 PHE 27 HE1 PHE 27 -1.068 -3.404 2.345 203 HZ PHE 27 HZ PHE 27 -1.266 -1.257 1.163 204 H LYS 28 HN LYS 28 -8.364 -2.771 2.387 205 HA LYS 28 HA LYS 28 -8.110 0.005 2.254 206 HB2 LYS 28 HB2 LYS 28 -10.671 -1.615 2.428 207 HB3 LYS 28 HB1 LYS 28 -10.595 0.064 1.950 208 HG2 LYS 28 HG2 LYS 28 -9.456 -0.498 -0.082 209 HG3 LYS 28 HG1 LYS 28 -9.257 -2.175 0.437 210 HD2 LYS 28 HD2 LYS 28 -11.712 -2.451 0.454 211 HD3 LYS 28 HD1 LYS 28 -11.893 -0.788 -0.100 212 HE2 LYS 28 HE2 LYS 28 -10.784 -1.314 -2.179 213 HE3 LYS 28 HE1 LYS 28 -10.407 -2.935 -1.612 214 HZ1 LYS 28 HZ1 LYS 28 -12.327 -2.831 -3.148 215 HZ2 LYS 28 HZ2 LYS 28 -13.237 -1.981 -2.030 216 HZ3 LYS 28 HZ3 LYS 28 -12.691 -3.526 -1.690 217 H SER 29 HN SER 29 -9.962 -1.934 4.584 218 HA SER 29 HA SER 29 -11.045 0.059 6.098 219 HB2 SER 29 HB2 SER 29 -10.316 -2.746 6.378 220 HB3 SER 29 HB1 SER 29 -11.231 -1.979 7.639 221 HG SER 29 HG SER 29 -11.960 -2.942 5.169 222 H LEU 30 HN LEU 30 -8.290 -2.013 6.679 223 HA LEU 30 HA LEU 30 -7.476 -1.020 9.144 224 HB2 LEU 30 HB2 LEU 30 -5.906 -2.329 6.960 225 HB3 LEU 30 HB1 LEU 30 -5.238 -1.977 8.542 226 HG LEU 30 HG LEU 30 -7.703 -3.657 8.177 227 HD11 LEU 30 HD11 LEU 30 -6.201 -5.601 8.456 228 HD12 LEU 30 HD12 LEU 30 -4.806 -4.517 8.384 229 HD13 LEU 30 HD13 LEU 30 -5.850 -4.713 6.977 230 HD21 LEU 30 HD21 LEU 30 -7.081 -4.460 10.409 231 HD22 LEU 30 HD22 LEU 30 -7.373 -2.723 10.391 232 HD23 LEU 30 HD23 LEU 30 -5.720 -3.340 10.427 233 H LEU 31 HN LEU 31 -6.568 0.146 5.916 234 HA LEU 31 HA LEU 31 -4.723 2.012 7.109 235 HB2 LEU 31 HB2 LEU 31 -4.105 2.622 4.897 236 HB3 LEU 31 HB1 LEU 31 -4.536 0.934 4.798 237 HG LEU 31 HG LEU 31 -6.848 1.881 3.990 238 HD11 LEU 31 HD11 LEU 31 -4.922 4.065 3.258 239 HD12 LEU 31 HD12 LEU 31 -6.275 4.204 4.375 240 HD13 LEU 31 HD13 LEU 31 -6.575 3.903 2.655 241 HD21 LEU 31 HD21 LEU 31 -4.372 1.791 2.268 242 HD22 LEU 31 HD22 LEU 31 -6.034 1.715 1.687 243 HD23 LEU 31 HD23 LEU 31 -5.395 0.417 2.694 244 H TRP 32 HN TRP 32 -8.044 1.926 6.624 245 HA TRP 32 HA TRP 32 -8.291 4.779 6.652 246 HB2 TRP 32 HB2 TRP 32 -9.920 2.791 5.750 247 HB3 TRP 32 HB1 TRP 32 -10.708 3.252 7.262 248 HD1 TRP 32 HD1 TRP 32 -12.135 5.432 7.198 249 HE1 TRP 32 HE1 TRP 32 -12.455 7.305 5.477 250 HE3 TRP 32 HE3 TRP 32 -8.540 4.044 4.012 251 HZ2 TRP 32 HZ2 TRP 32 -11.283 8.082 2.989 252 HZ3 TRP 32 HZ3 TRP 32 -8.146 5.385 1.922 253 HH2 TRP 32 HH2 TRP 32 -9.503 7.362 1.451 254 H ALA 33 HN ALA 33 -7.750 2.337 8.809 255 HA ALA 33 HA ALA 33 -9.343 3.257 11.012 256 HB1 ALA 33 HB1 ALA 33 -8.842 0.875 10.767 257 HB2 ALA 33 HB2 ALA 33 -8.234 1.501 12.304 258 HB3 ALA 33 HB3 ALA 33 -7.125 1.215 10.965 259 H PHE 34 HN PHE 34 -5.910 3.345 10.095 260 HA PHE 34 HA PHE 34 -5.174 4.598 12.524 261 HB2 PHE 34 HB2 PHE 34 -2.916 4.632 11.663 262 HB3 PHE 34 HB1 PHE 34 -3.654 3.191 11.005 263 HD1 PHE 34 HD1 PHE 34 -2.688 6.643 10.194 264 HD2 PHE 34 HD2 PHE 34 -3.688 2.796 8.727 265 HE1 PHE 34 HE1 PHE 34 -1.941 7.323 7.959 266 HE2 PHE 34 HE2 PHE 34 -2.954 3.461 6.467 267 HZ PHE 34 HZ PHE 34 -2.091 5.731 6.079 268 HA PRO 35 HA PRO 35 -6.394 8.678 11.536 269 HB2 PRO 35 HB2 PRO 35 -4.751 10.155 13.125 270 HB3 PRO 35 HB1 PRO 35 -6.086 9.199 13.763 271 HG2 PRO 35 HG2 PRO 35 -3.170 8.556 13.691 272 HG3 PRO 35 HG1 PRO 35 -4.354 8.250 14.974 273 HD2 PRO 35 HD2 PRO 35 -3.496 6.342 13.207 274 HD3 PRO 35 HD1 PRO 35 -5.077 6.297 13.998 275 H LEU 36 HN LEU 36 -5.991 9.331 9.576 276 HA LEU 36 HA LEU 36 -3.462 9.383 8.277 277 HB2 LEU 36 HB2 LEU 36 -5.885 10.910 7.552 278 HB3 LEU 36 HB1 LEU 36 -4.658 10.349 6.451 279 HG LEU 36 HG LEU 36 -6.569 8.492 7.912 280 HD11 LEU 36 HD11 LEU 36 -6.553 9.326 5.031 281 HD12 LEU 36 HD12 LEU 36 -7.778 9.748 6.246 282 HD13 LEU 36 HD13 LEU 36 -7.569 8.074 5.736 283 HD21 LEU 36 HD21 LEU 36 -5.717 6.760 6.462 284 HD22 LEU 36 HD22 LEU 36 -4.397 7.476 7.392 285 HD23 LEU 36 HD23 LEU 36 -4.634 7.912 5.695 286 H GLU 37 HN GLU 37 -1.986 10.967 8.289 287 HA GLU 37 HA GLU 37 -2.346 13.174 10.085 288 HB2 GLU 37 HB2 GLU 37 0.031 12.561 8.359 289 HB3 GLU 37 HB1 GLU 37 -0.004 13.519 9.835 290 HG2 GLU 37 HG2 GLU 37 -0.554 11.574 11.115 291 HG3 GLU 37 HG1 GLU 37 -0.639 10.612 9.634 292 H ASP 38 HN ASP 38 -0.640 13.432 6.992 293 HA ASP 38 HA ASP 38 -2.373 15.618 6.163 294 HB2 ASP 38 HB2 ASP 38 -0.479 16.721 7.275 295 HB3 ASP 38 HB1 ASP 38 0.648 15.699 6.384 296 H VAL 39 HN VAL 39 -1.777 16.148 3.871 297 HA VAL 39 HA VAL 39 -1.764 15.585 1.698 298 HB VAL 39 HB VAL 39 0.075 13.526 2.778 299 HG11 VAL 39 HG11 VAL 39 -0.842 12.693 0.623 300 HG12 VAL 39 HG12 VAL 39 0.848 13.149 0.408 301 HG13 VAL 39 HG13 VAL 39 -0.434 14.228 -0.138 302 HG21 VAL 39 HG21 VAL 39 0.580 16.069 1.261 303 HG22 VAL 39 HG22 VAL 39 1.837 14.927 1.745 304 HG23 VAL 39 HG23 VAL 39 0.884 15.764 2.969 305 H LEU 40 HN LEU 40 -2.201 12.832 3.747 306 HA LEU 40 HA LEU 40 -4.027 11.386 2.059 307 HB2 LEU 40 HB2 LEU 40 -3.353 11.239 5.002 308 HB3 LEU 40 HB1 LEU 40 -4.374 10.081 4.174 309 HG LEU 40 HG LEU 40 -1.483 10.543 3.469 310 HD11 LEU 40 HD11 LEU 40 -1.735 9.730 5.768 311 HD12 LEU 40 HD12 LEU 40 -1.058 8.503 4.699 312 HD13 LEU 40 HD13 LEU 40 -2.749 8.411 5.184 313 HD21 LEU 40 HD21 LEU 40 -2.870 9.590 1.688 314 HD22 LEU 40 HD22 LEU 40 -3.443 8.350 2.800 315 HD23 LEU 40 HD23 LEU 40 -1.744 8.399 2.332 316 H GLN 41 HN GLN 41 -5.982 10.826 4.163 317 HA GLN 41 HA GLN 41 -7.823 11.474 5.173 318 HB2 GLN 41 HB2 GLN 41 -6.451 13.075 6.275 319 HB3 GLN 41 HB1 GLN 41 -6.634 14.221 4.962 320 HG2 GLN 41 HG2 GLN 41 -9.044 14.339 5.446 321 HG3 GLN 41 HG1 GLN 41 -8.802 13.276 6.837 322 HE21 GLN 41 HE21 GLN 41 -7.669 14.067 8.620 323 HE22 GLN 41 HE22 GLN 41 -7.422 15.757 8.859 324 H LYS 42 HN LYS 42 -6.998 13.617 2.523 325 HA LYS 42 HA LYS 42 -9.746 13.715 1.592 326 HB2 LYS 42 HB2 LYS 42 -8.892 15.069 -0.230 327 HB3 LYS 42 HB1 LYS 42 -8.185 15.632 1.278 328 HG2 LYS 42 HG2 LYS 42 -6.091 14.602 0.763 329 HG3 LYS 42 HG1 LYS 42 -6.784 13.774 -0.630 330 HD2 LYS 42 HD2 LYS 42 -7.276 16.029 -1.609 331 HD3 LYS 42 HD1 LYS 42 -6.364 16.732 -0.277 332 HE2 LYS 42 HE2 LYS 42 -5.252 14.684 -2.167 333 HE3 LYS 42 HE1 LYS 42 -5.069 16.422 -2.405 334 HZ1 LYS 42 HZ1 LYS 42 -3.914 16.513 -0.287 335 HZ2 LYS 42 HZ2 LYS 42 -3.144 15.501 -1.376 336 HZ3 LYS 42 HZ3 LYS 42 -4.017 14.837 -0.097 337 H THR 43 HN THR 43 -7.643 11.343 1.706 338 HA THR 43 HA THR 43 -7.147 10.293 -0.759 339 HB THR 43 HB THR 43 -7.833 8.746 1.752 340 HG1 THR 43 HG1 THR 43 -5.209 9.296 1.264 341 HG21 THR 43 HG21 THR 43 -6.175 7.148 0.881 342 HG22 THR 43 HG22 THR 43 -5.915 8.177 -0.530 343 HG23 THR 43 HG23 THR 43 -7.473 7.385 -0.290 344 HA PRO 44 HA PRO 44 -11.416 9.674 -1.987 345 HB2 PRO 44 HB2 PRO 44 -10.880 8.658 -4.449 346 HB3 PRO 44 HB1 PRO 44 -10.775 10.384 -4.076 347 HG2 PRO 44 HG2 PRO 44 -8.590 8.331 -4.192 348 HG3 PRO 44 HG1 PRO 44 -8.576 9.965 -4.868 349 HD2 PRO 44 HD2 PRO 44 -7.364 9.401 -2.569 350 HD3 PRO 44 HD1 PRO 44 -8.198 10.940 -2.797 351 H TRP 45 HN TRP 45 -12.203 8.042 -0.706 352 HA TRP 45 HA TRP 45 -11.355 5.340 -0.736 353 HB2 TRP 45 HB2 TRP 45 -12.562 6.203 1.207 354 HB3 TRP 45 HB1 TRP 45 -13.968 6.568 0.224 355 HD1 TRP 45 HD1 TRP 45 -15.446 4.451 -0.597 356 HE1 TRP 45 HE1 TRP 45 -15.814 2.109 0.440 357 HE3 TRP 45 HE3 TRP 45 -11.418 4.308 2.525 358 HZ2 TRP 45 HZ2 TRP 45 -14.561 0.445 2.312 359 HZ3 TRP 45 HZ3 TRP 45 -11.070 2.302 3.899 360 HH2 TRP 45 HH2 TRP 45 -12.602 0.411 3.793 361 H SER 46 HN SER 46 -13.802 7.032 -2.648 362 HA SER 46 HA SER 46 -14.971 4.722 -3.714 363 HB2 SER 46 HB2 SER 46 -15.937 7.002 -4.023 364 HB3 SER 46 HB1 SER 46 -14.631 7.376 -5.146 365 HG SER 46 HG SER 46 -15.403 5.778 -6.531 366 H GLU 47 HN GLU 47 -11.986 6.358 -4.519 367 HA GLU 47 HA GLU 47 -11.480 4.810 -6.843 368 HB2 GLU 47 HB2 GLU 47 -9.621 6.366 -5.044 369 HB3 GLU 47 HB1 GLU 47 -9.127 5.599 -6.546 370 HG2 GLU 47 HG2 GLU 47 -11.244 7.705 -6.338 371 HG3 GLU 47 HG1 GLU 47 -9.555 8.036 -6.725 372 H VAL 48 HN VAL 48 -10.547 4.638 -3.430 373 HA VAL 48 HA VAL 48 -8.843 2.399 -3.703 374 HB VAL 48 HB VAL 48 -8.611 2.322 -1.393 375 HG11 VAL 48 HG11 VAL 48 -8.587 4.519 -0.440 376 HG12 VAL 48 HG12 VAL 48 -9.493 5.098 -1.835 377 HG13 VAL 48 HG13 VAL 48 -7.871 4.419 -2.053 378 HG21 VAL 48 HG21 VAL 48 -10.267 3.077 0.295 379 HG22 VAL 48 HG22 VAL 48 -10.806 1.718 -0.685 380 HG23 VAL 48 HG23 VAL 48 -11.425 3.328 -1.018 381 H GLU 49 HN GLU 49 -12.242 2.708 -3.319 382 HA GLU 49 HA GLU 49 -12.914 0.099 -2.502 383 HB2 GLU 49 HB2 GLU 49 -14.209 2.454 -2.848 384 HB3 GLU 49 HB1 GLU 49 -14.868 1.442 -4.137 385 HG2 GLU 49 HG2 GLU 49 -14.577 0.616 -1.332 386 HG3 GLU 49 HG1 GLU 49 -16.073 1.313 -1.958 387 H GLU 50 HN GLU 50 -13.010 1.712 -5.651 388 HA GLU 50 HA GLU 50 -13.703 -0.784 -6.724 389 HB2 GLU 50 HB2 GLU 50 -13.449 1.907 -8.037 390 HB3 GLU 50 HB1 GLU 50 -13.842 0.452 -8.947 391 HG2 GLU 50 HG2 GLU 50 -15.820 0.115 -7.565 392 HG3 GLU 50 HG1 GLU 50 -15.417 1.556 -6.634 393 H ALA 51 HN ALA 51 -10.916 0.457 -5.880 394 HA ALA 51 HA ALA 51 -9.201 -0.297 -8.107 395 HB1 ALA 51 HB1 ALA 51 -7.397 0.327 -6.625 396 HB2 ALA 51 HB2 ALA 51 -8.532 0.467 -5.285 397 HB3 ALA 51 HB3 ALA 51 -8.633 1.591 -6.637 398 H ASP 52 HN ASP 52 -7.768 -1.911 -8.050 399 HA ASP 52 HA ASP 52 -7.878 -3.801 -5.886 400 HB2 ASP 52 HB2 ASP 52 -8.074 -5.688 -7.408 401 HB3 ASP 52 HB1 ASP 52 -9.487 -4.661 -7.562 402 H GLY 53 HN GLY 53 -5.942 -4.772 -5.603 403 HA2 GLY 53 HA2 GLY 53 -3.658 -5.052 -5.678 404 HA3 GLY 53 HA1 GLY 53 -4.010 -5.349 -7.369 405 H LYS 54 HN LYS 54 -3.277 -4.033 -8.864 406 HA LYS 54 HA LYS 54 -1.152 -2.240 -8.355 407 HB2 LYS 54 HB2 LYS 54 -1.629 -3.534 -10.507 408 HB3 LYS 54 HB1 LYS 54 -2.810 -2.285 -10.870 409 HG2 LYS 54 HG2 LYS 54 -0.353 -1.047 -10.149 410 HG3 LYS 54 HG1 LYS 54 -0.027 -2.287 -11.323 411 HD2 LYS 54 HD2 LYS 54 -0.347 -0.330 -12.621 412 HD3 LYS 54 HD1 LYS 54 -1.842 -1.237 -12.789 413 HE2 LYS 54 HE2 LYS 54 -2.964 0.214 -11.231 414 HE3 LYS 54 HE1 LYS 54 -1.449 1.021 -10.826 415 HZ1 LYS 54 HZ1 LYS 54 -2.709 2.394 -12.347 416 HZ2 LYS 54 HZ2 LYS 54 -2.826 1.140 -13.474 417 HZ3 LYS 54 HZ3 LYS 54 -1.339 1.818 -13.115 418 H LYS 55 HN LYS 55 -4.531 -1.821 -9.112 419 HA LYS 55 HA LYS 55 -4.375 0.872 -9.641 420 HB2 LYS 55 HB2 LYS 55 -6.347 -1.133 -9.657 421 HB3 LYS 55 HB1 LYS 55 -6.970 0.168 -8.669 422 HG2 LYS 55 HG2 LYS 55 -5.847 0.613 -11.400 423 HG3 LYS 55 HG1 LYS 55 -7.538 0.212 -11.102 424 HD2 LYS 55 HD2 LYS 55 -6.082 2.608 -9.959 425 HD3 LYS 55 HD1 LYS 55 -7.123 2.646 -11.378 426 HE2 LYS 55 HE2 LYS 55 -7.971 1.933 -8.562 427 HE3 LYS 55 HE1 LYS 55 -8.305 3.441 -9.393 428 HZ1 LYS 55 HZ1 LYS 55 -9.610 2.181 -11.033 429 HZ2 LYS 55 HZ2 LYS 55 -10.235 2.046 -9.506 430 HZ3 LYS 55 HZ3 LYS 55 -9.383 0.754 -10.176 431 H LEU 56 HN LEU 56 -4.910 -0.976 -6.707 432 HA LEU 56 HA LEU 56 -5.700 1.228 -5.163 433 HB2 LEU 56 HB2 LEU 56 -6.240 -1.116 -4.551 434 HB3 LEU 56 HB1 LEU 56 -4.552 -1.387 -4.246 435 HG LEU 56 HG LEU 56 -4.561 0.260 -2.417 436 HD11 LEU 56 HD11 LEU 56 -6.676 1.151 -1.574 437 HD12 LEU 56 HD12 LEU 56 -7.507 0.496 -2.985 438 HD13 LEU 56 HD13 LEU 56 -6.283 1.754 -3.181 439 HD21 LEU 56 HD21 LEU 56 -4.988 -2.050 -1.872 440 HD22 LEU 56 HD22 LEU 56 -6.710 -1.820 -2.186 441 HD23 LEU 56 HD23 LEU 56 -5.941 -0.985 -0.834 442 H ALA 57 HN ALA 57 -2.663 -0.434 -5.745 443 HA ALA 57 HA ALA 57 -0.984 0.953 -3.994 444 HB1 ALA 57 HB1 ALA 57 0.842 0.293 -5.519 445 HB2 ALA 57 HB2 ALA 57 -0.354 -0.152 -6.734 446 HB3 ALA 57 HB3 ALA 57 -0.271 -1.041 -5.215 447 H GLU 58 HN GLU 58 -2.231 1.725 -7.126 448 HA GLU 58 HA GLU 58 -0.696 3.958 -7.862 449 HB2 GLU 58 HB2 GLU 58 -2.093 2.717 -9.418 450 HB3 GLU 58 HB1 GLU 58 -3.530 3.150 -8.514 451 HG2 GLU 58 HG2 GLU 58 -3.189 5.497 -9.141 452 HG3 GLU 58 HG1 GLU 58 -1.774 5.017 -10.079 453 H ILE 59 HN ILE 59 -3.384 3.587 -5.701 454 HA ILE 59 HA ILE 59 -3.949 6.384 -5.561 455 HB ILE 59 HB ILE 59 -4.962 4.056 -3.903 456 HG12 ILE 59 HG12 ILE 59 -6.376 5.536 -6.094 457 HG13 ILE 59 HG11 ILE 59 -5.314 4.179 -6.444 458 HG21 ILE 59 HG21 ILE 59 -5.245 6.215 -2.729 459 HG22 ILE 59 HG22 ILE 59 -6.805 5.622 -3.307 460 HG23 ILE 59 HG23 ILE 59 -5.978 6.907 -4.174 461 HD11 ILE 59 HD11 ILE 59 -7.626 3.544 -6.367 462 HD12 ILE 59 HD12 ILE 59 -7.753 4.118 -4.693 463 HD13 ILE 59 HD13 ILE 59 -6.699 2.756 -5.109 464 H LEU 60 HN LEU 60 -2.205 3.967 -3.710 465 HA LEU 60 HA LEU 60 -1.606 5.567 -1.476 466 HB2 LEU 60 HB2 LEU 60 -0.233 3.170 -2.648 467 HB3 LEU 60 HB1 LEU 60 0.563 4.074 -1.385 468 HG LEU 60 HG LEU 60 -0.501 2.135 -0.455 469 HD11 LEU 60 HD11 LEU 60 -2.010 4.615 0.326 470 HD12 LEU 60 HD12 LEU 60 -0.436 4.105 0.935 471 HD13 LEU 60 HD13 LEU 60 -1.870 3.134 1.273 472 HD21 LEU 60 HD21 LEU 60 -2.949 1.850 -0.477 473 HD22 LEU 60 HD22 LEU 60 -2.232 1.740 -2.087 474 HD23 LEU 60 HD23 LEU 60 -3.058 3.226 -1.586 475 H VAL 61 HN VAL 61 0.058 5.151 -4.578 476 HA VAL 61 HA VAL 61 2.143 6.980 -3.813 477 HB VAL 61 HB VAL 61 3.013 6.769 -6.080 478 HG11 VAL 61 HG11 VAL 61 3.582 5.014 -4.530 479 HG12 VAL 61 HG12 VAL 61 3.416 4.360 -6.162 480 HG13 VAL 61 HG13 VAL 61 2.131 4.119 -4.979 481 HG21 VAL 61 HG21 VAL 61 0.921 6.779 -7.314 482 HG22 VAL 61 HG22 VAL 61 0.527 5.181 -6.685 483 HG23 VAL 61 HG23 VAL 61 1.901 5.384 -7.777 484 H ASN 62 HN ASN 62 -0.991 7.391 -4.715 485 HA ASN 62 HA ASN 62 -0.617 9.779 -6.276 486 HB2 ASN 62 HB2 ASN 62 -2.605 8.322 -6.687 487 HB3 ASN 62 HB1 ASN 62 -3.196 8.678 -5.072 488 HD21 ASN 62 HD21 ASN 62 -5.105 9.500 -5.939 489 HD22 ASN 62 HD22 ASN 62 -5.169 11.054 -6.678 490 H THR 63 HN THR 63 -0.843 8.890 -2.987 491 HA THR 63 HA THR 63 -1.181 11.682 -2.257 492 HB THR 63 HB THR 63 -1.709 10.722 0.038 493 HG1 THR 63 HG1 THR 63 -1.412 8.632 0.172 494 HG21 THR 63 HG21 THR 63 -3.574 10.090 -2.259 495 HG22 THR 63 HG22 THR 63 -3.449 11.639 -1.422 496 HG23 THR 63 HG23 THR 63 -4.052 10.218 -0.566 497 H SER 64 HN SER 64 0.405 8.860 -0.802 498 HA SER 64 HA SER 64 2.117 10.653 0.668 499 HB2 SER 64 HB2 SER 64 1.902 7.662 0.763 500 HB3 SER 64 HB1 SER 64 2.612 8.726 1.978 501 HG SER 64 HG SER 64 0.708 8.962 2.771 502 H SER 65 HN SER 65 4.359 10.472 0.803 503 HA SER 65 HA SER 65 5.808 9.898 -1.557 504 HB2 SER 65 HB2 SER 65 6.784 10.297 1.261 505 HB3 SER 65 HB1 SER 65 7.649 10.672 -0.235 506 HG SER 65 HG SER 65 5.747 12.137 -0.610 507 H GLU 66 HN GLU 66 7.497 8.189 -1.641 508 HA GLU 66 HA GLU 66 6.460 5.711 -0.784 509 HB2 GLU 66 HB2 GLU 66 8.241 4.641 -1.885 510 HB3 GLU 66 HB1 GLU 66 7.888 6.064 -2.848 511 HG2 GLU 66 HG2 GLU 66 10.176 5.842 -0.889 512 HG3 GLU 66 HG1 GLU 66 10.281 5.485 -2.607 513 H ASN 67 HN ASN 67 8.922 7.793 0.451 514 HA ASN 67 HA ASN 67 10.130 6.075 2.307 515 HB2 ASN 67 HB2 ASN 67 10.953 8.352 1.652 516 HB3 ASN 67 HB1 ASN 67 9.701 9.043 2.681 517 HD21 ASN 67 HD21 ASN 67 11.104 10.002 4.124 518 HD22 ASN 67 HD22 ASN 67 12.095 9.081 5.202 519 H TRP 68 HN TRP 68 7.139 7.851 2.467 520 HA TRP 68 HA TRP 68 6.717 7.262 5.267 521 HB2 TRP 68 HB2 TRP 68 5.869 9.355 4.104 522 HB3 TRP 68 HB1 TRP 68 4.732 8.333 3.240 523 HD1 TRP 68 HD1 TRP 68 5.376 9.922 6.626 524 HE1 TRP 68 HE1 TRP 68 3.247 9.691 8.081 525 HE3 TRP 68 HE3 TRP 68 2.650 6.770 3.658 526 HZ2 TRP 68 HZ2 TRP 68 0.815 8.373 7.998 527 HZ3 TRP 68 HZ3 TRP 68 0.434 6.084 4.434 528 HH2 TRP 68 HH2 TRP 68 -0.457 6.867 6.555 529 H ILE 69 HN ILE 69 5.526 6.226 2.103 530 HA ILE 69 HA ILE 69 3.546 4.433 2.976 531 HB ILE 69 HB ILE 69 5.147 4.205 0.393 532 HG12 ILE 69 HG12 ILE 69 2.478 5.544 0.840 533 HG13 ILE 69 HG11 ILE 69 4.003 6.419 0.696 534 HG21 ILE 69 HG21 ILE 69 2.416 3.122 1.123 535 HG22 ILE 69 HG22 ILE 69 3.886 2.170 0.928 536 HG23 ILE 69 HG23 ILE 69 3.180 2.996 -0.463 537 HD11 ILE 69 HD11 ILE 69 2.748 6.445 -1.401 538 HD12 ILE 69 HD12 ILE 69 2.740 4.682 -1.424 539 HD13 ILE 69 HD13 ILE 69 4.259 5.556 -1.585 540 H ARG 70 HN ARG 70 7.033 4.050 2.723 541 HA ARG 70 HA ARG 70 7.166 1.254 2.678 542 HB2 ARG 70 HB2 ARG 70 9.464 1.417 3.119 543 HB3 ARG 70 HB1 ARG 70 9.090 2.928 2.310 544 HG2 ARG 70 HG2 ARG 70 9.091 4.107 4.403 545 HG3 ARG 70 HG1 ARG 70 9.298 2.597 5.288 546 HD2 ARG 70 HD2 ARG 70 11.440 2.316 3.933 547 HD3 ARG 70 HD1 ARG 70 11.242 4.023 3.516 548 HE ARG 70 HE ARG 70 10.936 3.816 6.251 549 HH11 ARG 70 HH11 ARG 70 13.595 3.557 3.927 550 HH12 ARG 70 HH12 ARG 70 14.799 3.695 5.111 551 HH21 ARG 70 HH21 ARG 70 12.578 3.984 7.847 552 HH22 ARG 70 HH22 ARG 70 14.217 3.923 7.396 553 H ASN 71 HN ASN 71 6.375 3.373 5.243 554 HA ASN 71 HA ASN 71 6.745 1.248 7.216 555 HB2 ASN 71 HB2 ASN 71 7.343 3.578 7.864 556 HB3 ASN 71 HB1 ASN 71 5.672 4.063 7.575 557 HD21 ASN 71 HD21 ASN 71 5.166 4.622 9.638 558 HD22 ASN 71 HD22 ASN 71 5.061 3.482 10.925 559 H ALA 72 HN ALA 72 4.295 3.341 5.843 560 HA ALA 72 HA ALA 72 2.025 2.496 7.107 561 HB1 ALA 72 HB1 ALA 72 0.792 3.431 5.293 562 HB2 ALA 72 HB2 ALA 72 2.213 3.345 4.249 563 HB3 ALA 72 HB3 ALA 72 2.204 4.430 5.644 564 H THR 73 HN THR 73 3.129 1.262 3.922 565 HA THR 73 HA THR 73 0.943 -0.515 3.752 566 HB THR 73 HB THR 73 2.173 0.240 1.694 567 HG1 THR 73 HG1 THR 73 1.535 -2.398 2.253 568 HG21 THR 73 HG21 THR 73 4.504 0.034 2.490 569 HG22 THR 73 HG22 THR 73 4.259 -0.916 1.024 570 HG23 THR 73 HG23 THR 73 4.311 -1.715 2.589 571 H VAL 74 HN VAL 74 4.150 -0.849 5.032 572 HA VAL 74 HA VAL 74 4.150 -3.645 5.252 573 HB VAL 74 HB VAL 74 5.748 -1.503 6.685 574 HG11 VAL 74 HG11 VAL 74 7.221 -3.289 7.479 575 HG12 VAL 74 HG12 VAL 74 6.123 -4.492 6.804 576 HG13 VAL 74 HG13 VAL 74 5.595 -3.470 8.138 577 HG21 VAL 74 HG21 VAL 74 6.193 -1.757 4.298 578 HG22 VAL 74 HG22 VAL 74 6.463 -3.484 4.520 579 HG23 VAL 74 HG23 VAL 74 7.563 -2.318 5.253 580 H ASN 75 HN ASN 75 3.315 -1.062 7.587 581 HA ASN 75 HA ASN 75 2.696 -2.786 9.685 582 HB2 ASN 75 HB2 ASN 75 1.780 0.018 9.070 583 HB3 ASN 75 HB1 ASN 75 1.338 -0.842 10.531 584 HD21 ASN 75 HD21 ASN 75 4.121 -2.111 10.654 585 HD22 ASN 75 HD22 ASN 75 5.100 -0.816 11.190 586 H ILE 76 HN ILE 76 0.667 -1.573 7.050 587 HA ILE 76 HA ILE 76 -1.773 -2.634 8.080 588 HB ILE 76 HB ILE 76 -1.083 -2.376 5.128 589 HG12 ILE 76 HG12 ILE 76 -0.677 -0.214 6.255 590 HG13 ILE 76 HG11 ILE 76 -2.054 -0.128 5.169 591 HG21 ILE 76 HG21 ILE 76 -3.098 -3.656 5.563 592 HG22 ILE 76 HG22 ILE 76 -3.516 -2.104 4.836 593 HG23 ILE 76 HG23 ILE 76 -3.736 -2.357 6.568 594 HD11 ILE 76 HD11 ILE 76 -2.462 1.093 7.204 595 HD12 ILE 76 HD12 ILE 76 -2.167 -0.356 8.175 596 HD13 ILE 76 HD13 ILE 76 -3.558 -0.278 7.085 597 H LEU 77 HN LEU 77 0.688 -4.045 5.930 598 HA LEU 77 HA LEU 77 -0.588 -6.543 5.638 599 HB2 LEU 77 HB2 LEU 77 2.283 -5.702 5.391 600 HB3 LEU 77 HB1 LEU 77 1.841 -7.390 5.306 601 HG LEU 77 HG LEU 77 0.180 -5.963 3.485 602 HD11 LEU 77 HD11 LEU 77 1.907 -5.135 1.943 603 HD12 LEU 77 HD12 LEU 77 3.158 -5.519 3.123 604 HD13 LEU 77 HD13 LEU 77 1.976 -4.254 3.469 605 HD21 LEU 77 HD21 LEU 77 2.454 -7.872 3.074 606 HD22 LEU 77 HD22 LEU 77 1.205 -7.468 1.892 607 HD23 LEU 77 HD23 LEU 77 0.775 -8.305 3.382 608 H GLU 78 HN GLU 78 1.609 -5.334 8.072 609 HA GLU 78 HA GLU 78 1.869 -7.737 9.519 610 HB2 GLU 78 HB2 GLU 78 2.080 -4.875 10.434 611 HB3 GLU 78 HB1 GLU 78 2.590 -6.232 11.413 612 HG2 GLU 78 HG2 GLU 78 4.162 -6.846 9.568 613 HG3 GLU 78 HG1 GLU 78 3.728 -5.329 8.789 614 H GLU 79 HN GLU 79 -0.444 -5.104 9.697 615 HA GLU 79 HA GLU 79 -1.902 -6.132 11.883 616 HB2 GLU 79 HB2 GLU 79 -2.589 -4.188 9.748 617 HB3 GLU 79 HB1 GLU 79 -3.704 -4.500 11.052 618 HG2 GLU 79 HG2 GLU 79 -1.740 -3.873 12.589 619 HG3 GLU 79 HG1 GLU 79 -0.989 -3.231 11.129 620 H MET 80 HN MET 80 -1.831 -6.988 8.580 621 HA MET 80 HA MET 80 -4.380 -8.393 8.738 622 HB2 MET 80 HB2 MET 80 -2.324 -8.256 6.523 623 HB3 MET 80 HB1 MET 80 -3.823 -9.165 6.430 624 HG2 MET 80 HG2 MET 80 -5.075 -7.066 6.684 625 HG3 MET 80 HG1 MET 80 -3.549 -6.186 6.711 626 HE1 MET 80 HE1 MET 80 -5.953 -8.434 4.617 627 HE2 MET 80 HE2 MET 80 -4.442 -9.335 4.461 628 HE3 MET 80 HE3 MET 80 -5.131 -8.511 3.064 629 H ASN 81 HN ASN 81 -1.472 -8.857 9.957 630 HA ASN 81 HA ASN 81 -0.244 -10.551 10.762 631 HB2 ASN 81 HB2 ASN 81 -2.491 -11.299 11.633 632 HB3 ASN 81 HB1 ASN 81 -2.675 -12.285 10.192 633 HD21 ASN 81 HD21 ASN 81 -2.811 -14.177 11.366 634 HD22 ASN 81 HD22 ASN 81 -1.444 -14.885 12.161 635 H LEU 82 HN LEU 82 0.034 -9.843 8.101 636 HA LEU 82 HA LEU 82 0.582 -12.337 6.696 637 HB2 LEU 82 HB2 LEU 82 0.640 -9.442 5.846 638 HB3 LEU 82 HB1 LEU 82 1.094 -10.767 4.781 639 HG LEU 82 HG LEU 82 -1.654 -10.306 5.978 640 HD11 LEU 82 HD11 LEU 82 -2.329 -9.770 3.680 641 HD12 LEU 82 HD12 LEU 82 -0.660 -9.888 3.157 642 HD13 LEU 82 HD13 LEU 82 -1.143 -8.629 4.299 643 HD21 LEU 82 HD21 LEU 82 -0.684 -12.311 3.965 644 HD22 LEU 82 HD22 LEU 82 -2.369 -12.028 4.398 645 HD23 LEU 82 HD23 LEU 82 -1.246 -12.666 5.606 646 H THR 83 HN THR 83 2.644 -13.040 6.343 647 HA THR 83 HA THR 83 4.820 -11.316 7.296 648 HB THR 83 HB THR 83 6.028 -13.571 7.605 649 HG1 THR 83 HG1 THR 83 3.409 -14.542 8.058 650 HG21 THR 83 HG21 THR 83 3.876 -12.693 9.515 651 HG22 THR 83 HG22 THR 83 5.544 -12.098 9.437 652 HG23 THR 83 HG23 THR 83 5.225 -13.766 9.918 653 H GLU 84 HN GLU 84 4.064 -14.049 5.294 654 HA GLU 84 HA GLU 84 6.312 -14.375 3.837 655 HB2 GLU 84 HB2 GLU 84 4.719 -15.133 1.945 656 HB3 GLU 84 HB1 GLU 84 4.721 -16.002 3.471 657 HG2 GLU 84 HG2 GLU 84 2.751 -13.806 2.968 658 HG3 GLU 84 HG1 GLU 84 2.440 -15.430 2.328 659 H LEU 85 HN LEU 85 3.668 -12.348 2.681 660 HA LEU 85 HA LEU 85 5.479 -11.256 0.717 661 HB2 LEU 85 HB2 LEU 85 3.599 -10.022 -0.241 662 HB3 LEU 85 HB1 LEU 85 3.246 -11.718 -0.096 663 HG LEU 85 HG LEU 85 2.176 -9.593 1.774 664 HD11 LEU 85 HD11 LEU 85 1.366 -9.252 -0.489 665 HD12 LEU 85 HD12 LEU 85 0.081 -9.851 0.562 666 HD13 LEU 85 HD13 LEU 85 0.871 -10.943 -0.574 667 HD21 LEU 85 HD21 LEU 85 0.493 -11.361 2.310 668 HD22 LEU 85 HD22 LEU 85 2.114 -11.725 2.856 669 HD23 LEU 85 HD23 LEU 85 1.480 -12.514 1.405 670 H CYS 86 HN CYS 86 4.401 -10.402 3.792 671 HA CYS 86 HA CYS 86 4.778 -7.578 3.573 672 HB2 CYS 86 HB2 CYS 86 3.404 -8.656 5.304 673 HB3 CYS 86 HB1 CYS 86 4.863 -9.417 5.901 674 HG CYS 86 HG CYS 86 4.613 -7.555 7.781 675 H LYS 87 HN LYS 87 6.757 -10.304 4.554 676 HA LYS 87 HA LYS 87 9.068 -8.848 5.267 677 HB2 LYS 87 HB2 LYS 87 8.580 -11.709 4.482 678 HB3 LYS 87 HB1 LYS 87 10.166 -11.108 4.953 679 HG2 LYS 87 HG2 LYS 87 9.462 -10.637 7.148 680 HG3 LYS 87 HG1 LYS 87 7.760 -10.781 6.716 681 HD2 LYS 87 HD2 LYS 87 8.693 -12.719 8.018 682 HD3 LYS 87 HD1 LYS 87 7.941 -13.148 6.483 683 HE2 LYS 87 HE2 LYS 87 10.027 -13.352 5.434 684 HE3 LYS 87 HE1 LYS 87 10.902 -12.743 6.849 685 HZ1 LYS 87 HZ1 LYS 87 9.338 -15.271 6.677 686 HZ2 LYS 87 HZ2 LYS 87 10.168 -14.725 8.052 687 HZ3 LYS 87 HZ3 LYS 87 11.018 -15.152 6.662 688 H MET 88 HN MET 88 7.704 -9.899 2.290 689 HA MET 88 HA MET 88 9.980 -9.609 0.637 690 HB2 MET 88 HB2 MET 88 7.941 -10.811 -0.050 691 HB3 MET 88 HB1 MET 88 7.024 -9.331 0.064 692 HG2 MET 88 HG2 MET 88 8.353 -8.354 -1.733 693 HG3 MET 88 HG1 MET 88 9.240 -9.871 -1.900 694 HE1 MET 88 HE1 MET 88 6.435 -12.324 -3.160 695 HE2 MET 88 HE2 MET 88 6.941 -12.058 -1.494 696 HE3 MET 88 HE3 MET 88 8.147 -12.143 -2.778 697 H ALA 89 HN ALA 89 7.307 -7.567 1.637 698 HA ALA 89 HA ALA 89 8.066 -5.196 0.318 699 HB1 ALA 89 HB1 ALA 89 5.860 -5.532 1.394 700 HB2 ALA 89 HB2 ALA 89 6.616 -4.017 1.876 701 HB3 ALA 89 HB3 ALA 89 6.633 -5.402 2.972 702 H LYS 90 HN LYS 90 8.878 -6.449 3.483 703 HA LYS 90 HA LYS 90 10.464 -4.284 4.359 704 HB2 LYS 90 HB2 LYS 90 10.469 -7.182 5.208 705 HB3 LYS 90 HB1 LYS 90 11.330 -5.903 6.049 706 HG2 LYS 90 HG2 LYS 90 9.259 -4.780 6.572 707 HG3 LYS 90 HG1 LYS 90 8.351 -5.945 5.613 708 HD2 LYS 90 HD2 LYS 90 8.956 -7.723 7.155 709 HD3 LYS 90 HD1 LYS 90 9.962 -6.608 8.086 710 HE2 LYS 90 HE2 LYS 90 7.973 -5.262 8.605 711 HE3 LYS 90 HE1 LYS 90 6.981 -6.375 7.670 712 HZ1 LYS 90 HZ1 LYS 90 6.888 -6.713 10.088 713 HZ2 LYS 90 HZ2 LYS 90 8.529 -7.139 10.072 714 HZ3 LYS 90 HZ3 LYS 90 7.412 -8.094 9.261 715 H ALA 91 HN ALA 91 11.085 -6.348 1.869 716 HA ALA 91 HA ALA 91 13.998 -6.070 2.148 717 HB1 ALA 91 HB1 ALA 91 12.459 -7.999 0.412 718 HB2 ALA 91 HB2 ALA 91 13.119 -8.406 1.991 719 HB3 ALA 91 HB3 ALA 91 14.207 -7.996 0.657 720 H GLU 92 HN GLU 92 11.393 -6.077 -0.117 721 HA GLU 92 HA GLU 92 12.787 -5.100 -2.407 722 HB2 GLU 92 HB2 GLU 92 9.998 -5.602 -1.605 723 HB3 GLU 92 HB1 GLU 92 10.324 -5.006 -3.204 724 HG2 GLU 92 HG2 GLU 92 11.679 -7.426 -2.050 725 HG3 GLU 92 HG1 GLU 92 10.088 -7.611 -2.732 726 H MET 93 HN MET 93 10.437 -3.784 -0.156 727 HA MET 93 HA MET 93 10.229 -1.317 -1.637 728 HB2 MET 93 HB2 MET 93 8.437 -2.903 -0.474 729 HB3 MET 93 HB1 MET 93 8.900 -1.950 0.917 730 HG2 MET 93 HG2 MET 93 8.071 -0.665 -1.591 731 HG3 MET 93 HG1 MET 93 6.919 -1.395 -0.478 732 HE1 MET 93 HE1 MET 93 6.477 1.481 -1.161 733 HE2 MET 93 HE2 MET 93 6.472 2.390 0.351 734 HE3 MET 93 HE3 MET 93 5.639 0.838 0.250 735 H MET 94 HN MET 94 11.485 -2.649 1.308 736 HA MET 94 HA MET 94 12.337 -0.040 2.308 737 HB2 MET 94 HB2 MET 94 12.513 -2.793 3.543 738 HB3 MET 94 HB1 MET 94 13.052 -1.309 4.305 739 HG2 MET 94 HG2 MET 94 10.723 -0.483 4.256 740 HG3 MET 94 HG1 MET 94 10.265 -2.035 3.535 741 HE1 MET 94 HE1 MET 94 12.099 -1.782 7.776 742 HE2 MET 94 HE2 MET 94 12.010 -0.398 6.685 743 HE3 MET 94 HE3 MET 94 13.060 -1.759 6.304 744 H GLU 95 HN GLU 95 14.208 0.594 1.292 745 HA GLU 95 HA GLU 95 16.106 -1.292 0.410 746 HB2 GLU 95 HB2 GLU 95 15.970 0.878 -0.690 747 HB3 GLU 95 HB1 GLU 95 16.359 1.699 0.812 748 HG2 GLU 95 HG2 GLU 95 18.276 1.631 -0.685 749 HG3 GLU 95 HG1 GLU 95 18.579 0.735 0.799 750 H ASP 96 HN ASP 96 17.810 -2.035 1.299 751 HA ASP 96 HA ASP 96 18.018 -1.843 4.213 752 HB2 ASP 96 HB2 ASP 96 17.883 -4.089 3.260 753 HB3 ASP 96 HB1 ASP 96 19.270 -3.749 2.232 754 H GLY 97 HN GLY 97 19.911 -1.590 1.295 755 HA2 GLY 97 HA2 GLY 97 21.639 0.221 1.341 756 HA3 GLY 97 HA1 GLY 97 22.114 -0.496 2.890 757 H GLN 98 HN GLN 98 21.705 -3.149 2.214 758 HA GLN 98 HA GLN 98 23.617 -3.593 0.046 759 HB2 GLN 98 HB2 GLN 98 23.621 -4.944 2.750 760 HB3 GLN 98 HB1 GLN 98 24.572 -5.480 1.374 761 HG2 GLN 98 HG2 GLN 98 25.737 -3.312 1.389 762 HG3 GLN 98 HG1 GLN 98 24.828 -2.866 2.831 763 HE21 GLN 98 HE21 GLN 98 24.967 -5.584 3.985 764 HE22 GLN 98 HE22 GLN 98 26.602 -5.762 4.500 Start of MODEL 11 1 H MET 3 HT1 MET 3 11.777 5.031 -4.359 2 HA MET 3 HA MET 3 13.799 6.096 -4.601 3 HB2 MET 3 HB2 MET 3 15.218 4.397 -3.450 4 HB3 MET 3 HB1 MET 3 15.061 3.352 -4.853 5 HG2 MET 3 HG2 MET 3 16.215 5.011 -6.231 6 HG3 MET 3 HG1 MET 3 16.366 6.071 -4.832 7 HE1 MET 3 HE1 MET 3 18.989 6.267 -5.211 8 HE2 MET 3 HE2 MET 3 18.834 5.239 -6.635 9 HE3 MET 3 HE3 MET 3 20.054 4.875 -5.414 10 H THR 4 HN THR 4 13.952 3.048 -6.536 11 HA THR 4 HA THR 4 13.854 4.582 -8.917 12 HB THR 4 HB THR 4 13.630 2.207 -9.881 13 HG1 THR 4 HG1 THR 4 14.687 0.800 -8.047 14 HG21 THR 4 HG21 THR 4 16.066 2.945 -8.235 15 HG22 THR 4 HG22 THR 4 15.729 3.503 -9.872 16 HG23 THR 4 HG23 THR 4 16.049 1.798 -9.574 17 H SER 5 HN SER 5 12.131 4.933 -10.185 18 HA SER 5 HA SER 5 9.652 5.001 -8.888 19 HB2 SER 5 HB2 SER 5 10.159 5.535 -11.813 20 HB3 SER 5 HB1 SER 5 8.814 6.124 -10.832 21 HG SER 5 HG SER 5 10.392 7.168 -9.510 22 HA PRO 6 HA PRO 6 7.921 1.670 -11.997 23 HB2 PRO 6 HB2 PRO 6 10.359 0.087 -12.602 24 HB3 PRO 6 HB1 PRO 6 9.029 0.536 -13.675 25 HG2 PRO 6 HG2 PRO 6 11.387 1.717 -13.914 26 HG3 PRO 6 HG1 PRO 6 9.892 2.658 -14.069 27 HD2 PRO 6 HD2 PRO 6 11.749 2.437 -11.730 28 HD3 PRO 6 HD1 PRO 6 10.982 3.882 -12.420 29 H GLN 7 HN GLN 7 10.879 0.606 -10.376 30 HA GLN 7 HA GLN 7 9.856 -1.779 -9.363 31 HB2 GLN 7 HB2 GLN 7 12.238 -0.129 -8.570 32 HB3 GLN 7 HB1 GLN 7 11.835 -1.629 -7.748 33 HG2 GLN 7 HG2 GLN 7 13.521 -2.051 -9.409 34 HG3 GLN 7 HG1 GLN 7 12.020 -2.830 -9.887 35 HE21 GLN 7 HE21 GLN 7 12.499 -2.931 -12.006 36 HE22 GLN 7 HE22 GLN 7 12.611 -1.585 -13.059 37 H LEU 8 HN LEU 8 9.728 1.452 -8.145 38 HA LEU 8 HA LEU 8 9.133 0.960 -5.456 39 HB2 LEU 8 HB2 LEU 8 9.784 3.145 -6.543 40 HB3 LEU 8 HB1 LEU 8 8.178 3.255 -7.195 41 HG LEU 8 HG LEU 8 8.578 4.729 -5.259 42 HD11 LEU 8 HD11 LEU 8 6.520 2.625 -4.633 43 HD12 LEU 8 HD12 LEU 8 6.297 3.950 -5.755 44 HD13 LEU 8 HD13 LEU 8 6.551 4.292 -4.036 45 HD21 LEU 8 HD21 LEU 8 8.790 3.743 -3.001 46 HD22 LEU 8 HD22 LEU 8 10.157 3.373 -4.046 47 HD23 LEU 8 HD23 LEU 8 8.927 2.151 -3.741 48 H GLU 9 HN GLU 9 6.927 1.776 -8.127 49 HA GLU 9 HA GLU 9 4.624 1.121 -6.602 50 HB2 GLU 9 HB2 GLU 9 4.559 2.755 -8.400 51 HB3 GLU 9 HB1 GLU 9 4.888 1.499 -9.597 52 HG2 GLU 9 HG2 GLU 9 2.765 0.368 -8.835 53 HG3 GLU 9 HG1 GLU 9 2.426 1.805 -7.878 54 H TRP 10 HN TRP 10 6.634 -0.623 -8.895 55 HA TRP 10 HA TRP 10 5.120 -2.873 -9.352 56 HB2 TRP 10 HB2 TRP 10 7.222 -2.616 -10.509 57 HB3 TRP 10 HB1 TRP 10 8.098 -2.582 -8.985 58 HD1 TRP 10 HD1 TRP 10 6.382 -5.063 -11.376 59 HE1 TRP 10 HE1 TRP 10 7.259 -7.418 -10.873 60 HE3 TRP 10 HE3 TRP 10 9.119 -4.039 -7.189 61 HZ2 TRP 10 HZ2 TRP 10 8.880 -8.696 -8.934 62 HZ3 TRP 10 HZ3 TRP 10 10.288 -5.879 -6.064 63 HH2 TRP 10 HH2 TRP 10 10.177 -8.143 -6.895 64 H THR 11 HN THR 11 7.325 -2.234 -6.648 65 HA THR 11 HA THR 11 7.008 -4.720 -5.402 66 HB THR 11 HB THR 11 7.574 -2.075 -4.031 67 HG1 THR 11 HG1 THR 11 9.099 -2.452 -5.668 68 HG21 THR 11 HG21 THR 11 8.198 -4.926 -3.238 69 HG22 THR 11 HG22 THR 11 7.011 -3.872 -2.466 70 HG23 THR 11 HG23 THR 11 8.732 -3.488 -2.370 71 H LEU 12 HN LEU 12 5.216 -1.751 -5.032 72 HA LEU 12 HA LEU 12 3.536 -2.602 -2.946 73 HB2 LEU 12 HB2 LEU 12 3.280 -0.592 -5.094 74 HB3 LEU 12 HB1 LEU 12 2.070 -0.737 -3.815 75 HG LEU 12 HG LEU 12 4.979 0.051 -3.520 76 HD11 LEU 12 HD11 LEU 12 3.562 1.797 -4.466 77 HD12 LEU 12 HD12 LEU 12 4.059 2.208 -2.826 78 HD13 LEU 12 HD13 LEU 12 2.428 1.612 -3.130 79 HD21 LEU 12 HD21 LEU 12 2.820 -0.288 -1.439 80 HD22 LEU 12 HD22 LEU 12 4.387 0.447 -1.148 81 HD23 LEU 12 HD23 LEU 12 4.288 -1.252 -1.593 82 H GLN 13 HN GLN 13 3.082 -2.525 -6.482 83 HA GLN 13 HA GLN 13 0.471 -3.532 -6.352 84 HB2 GLN 13 HB2 GLN 13 0.487 -3.700 -8.732 85 HB3 GLN 13 HB1 GLN 13 1.522 -2.329 -8.348 86 HG2 GLN 13 HG2 GLN 13 3.483 -3.739 -8.724 87 HG3 GLN 13 HG1 GLN 13 2.388 -5.079 -9.087 88 HE21 GLN 13 HE21 GLN 13 1.311 -5.161 -10.936 89 HE22 GLN 13 HE22 GLN 13 1.660 -4.115 -12.279 90 H THR 14 HN THR 14 3.590 -5.122 -6.634 91 HA THR 14 HA THR 14 2.677 -7.677 -7.285 92 HB THR 14 HB THR 14 5.170 -6.901 -5.726 93 HG1 THR 14 HG1 THR 14 5.280 -5.894 -7.664 94 HG21 THR 14 HG21 THR 14 4.710 -9.318 -5.615 95 HG22 THR 14 HG22 THR 14 6.123 -8.958 -6.626 96 HG23 THR 14 HG23 THR 14 4.573 -9.353 -7.379 97 H LEU 15 HN LEU 15 2.830 -6.038 -4.218 98 HA LEU 15 HA LEU 15 2.271 -8.366 -2.622 99 HB2 LEU 15 HB2 LEU 15 1.859 -5.463 -1.984 100 HB3 LEU 15 HB1 LEU 15 1.968 -6.768 -0.826 101 HG LEU 15 HG LEU 15 4.268 -5.939 -2.599 102 HD11 LEU 15 HD11 LEU 15 5.232 -4.898 -0.628 103 HD12 LEU 15 HD12 LEU 15 3.754 -5.228 0.281 104 HD13 LEU 15 HD13 LEU 15 3.717 -4.118 -1.093 105 HD21 LEU 15 HD21 LEU 15 4.153 -7.712 -0.158 106 HD22 LEU 15 HD22 LEU 15 5.601 -7.263 -1.039 107 HD23 LEU 15 HD23 LEU 15 4.369 -8.248 -1.823 108 H LEU 16 HN LEU 16 0.512 -5.614 -3.906 109 HA LEU 16 HA LEU 16 -1.978 -6.347 -2.749 110 HB2 LEU 16 HB2 LEU 16 -1.273 -4.273 -4.811 111 HB3 LEU 16 HB1 LEU 16 -2.843 -4.436 -4.052 112 HG LEU 16 HG LEU 16 -0.305 -3.844 -2.524 113 HD11 LEU 16 HD11 LEU 16 -2.498 -1.975 -3.385 114 HD12 LEU 16 HD12 LEU 16 -0.870 -2.030 -4.057 115 HD13 LEU 16 HD13 LEU 16 -1.112 -1.564 -2.372 116 HD21 LEU 16 HD21 LEU 16 -1.848 -3.226 -0.740 117 HD22 LEU 16 HD22 LEU 16 -2.052 -4.919 -1.208 118 HD23 LEU 16 HD23 LEU 16 -3.210 -3.707 -1.747 119 H GLU 17 HN GLU 17 -0.420 -7.257 -5.665 120 HA GLU 17 HA GLU 17 -2.853 -8.090 -6.941 121 HB2 GLU 17 HB2 GLU 17 0.043 -8.704 -7.576 122 HB3 GLU 17 HB1 GLU 17 -1.301 -9.298 -8.544 123 HG2 GLU 17 HG2 GLU 17 -1.977 -6.907 -8.931 124 HG3 GLU 17 HG1 GLU 17 -0.526 -6.427 -8.080 125 H GLN 18 HN GLN 18 -0.958 -9.240 -4.481 126 HA GLN 18 HA GLN 18 -1.836 -11.999 -4.802 127 HB2 GLN 18 HB2 GLN 18 0.034 -10.644 -2.870 128 HB3 GLN 18 HB1 GLN 18 -0.452 -12.334 -2.683 129 HG2 GLN 18 HG2 GLN 18 0.525 -12.857 -4.847 130 HG3 GLN 18 HG1 GLN 18 0.937 -11.158 -5.079 131 HE21 GLN 18 HE21 GLN 18 2.631 -10.320 -4.021 132 HE22 GLN 18 HE22 GLN 18 3.797 -11.269 -3.149 133 H LEU 19 HN LEU 19 -2.018 -9.377 -2.411 134 HA LEU 19 HA LEU 19 -4.310 -10.689 -1.163 135 HB2 LEU 19 HB2 LEU 19 -3.959 -9.229 0.667 136 HB3 LEU 19 HB1 LEU 19 -2.336 -9.639 0.149 137 HG LEU 19 HG LEU 19 -2.877 -7.374 -1.262 138 HD11 LEU 19 HD11 LEU 19 -4.879 -6.942 -0.250 139 HD12 LEU 19 HD12 LEU 19 -3.741 -5.695 0.274 140 HD13 LEU 19 HD13 LEU 19 -4.208 -7.004 1.384 141 HD21 LEU 19 HD21 LEU 19 -0.806 -7.811 -0.182 142 HD22 LEU 19 HD22 LEU 19 -1.511 -7.483 1.426 143 HD23 LEU 19 HD23 LEU 19 -1.395 -6.204 0.188 144 H ASN 20 HN ASN 20 -6.301 -10.143 -2.063 145 HA ASN 20 HA ASN 20 -6.916 -7.413 -2.593 146 HB2 ASN 20 HB2 ASN 20 -7.228 -7.483 -5.063 147 HB3 ASN 20 HB1 ASN 20 -5.553 -7.624 -4.531 148 HD21 ASN 20 HD21 ASN 20 -4.705 -9.674 -4.421 149 HD22 ASN 20 HD22 ASN 20 -5.143 -10.913 -5.572 150 H GLU 21 HN GLU 21 -7.903 -10.739 -3.068 151 HA GLU 21 HA GLU 21 -10.466 -10.191 -4.031 152 HB2 GLU 21 HB2 GLU 21 -9.377 -12.410 -4.130 153 HB3 GLU 21 HB1 GLU 21 -9.567 -12.564 -2.393 154 HG2 GLU 21 HG2 GLU 21 -11.965 -12.573 -2.618 155 HG3 GLU 21 HG1 GLU 21 -11.828 -12.313 -4.357 156 H ASP 22 HN ASP 22 -10.056 -11.564 -0.749 157 HA ASP 22 HA ASP 22 -12.114 -9.673 0.069 158 HB2 ASP 22 HB2 ASP 22 -12.520 -12.079 0.557 159 HB3 ASP 22 HB1 ASP 22 -11.057 -12.115 1.532 160 H GLU 23 HN GLU 23 -9.007 -10.080 -0.047 161 HA GLU 23 HA GLU 23 -7.959 -9.415 2.545 162 HB2 GLU 23 HB2 GLU 23 -6.527 -9.274 -0.075 163 HB3 GLU 23 HB1 GLU 23 -5.867 -9.580 1.526 164 HG2 GLU 23 HG2 GLU 23 -7.781 -11.343 0.113 165 HG3 GLU 23 HG1 GLU 23 -6.025 -11.592 0.063 166 H LEU 24 HN LEU 24 -8.677 -7.699 -0.416 167 HA LEU 24 HA LEU 24 -7.107 -5.398 0.178 168 HB2 LEU 24 HB2 LEU 24 -8.327 -6.301 -2.068 169 HB3 LEU 24 HB1 LEU 24 -9.499 -5.150 -1.508 170 HG LEU 24 HG LEU 24 -7.789 -3.379 -1.503 171 HD11 LEU 24 HD11 LEU 24 -6.079 -5.506 -2.795 172 HD12 LEU 24 HD12 LEU 24 -5.782 -4.739 -1.230 173 HD13 LEU 24 HD13 LEU 24 -5.686 -3.794 -2.710 174 HD21 LEU 24 HD21 LEU 24 -9.294 -3.729 -3.408 175 HD22 LEU 24 HD22 LEU 24 -8.101 -4.825 -4.118 176 HD23 LEU 24 HD23 LEU 24 -7.714 -3.116 -3.888 177 H LYS 25 HN LYS 25 -10.242 -6.511 0.897 178 HA LYS 25 HA LYS 25 -11.550 -4.111 1.594 179 HB2 LYS 25 HB2 LYS 25 -11.990 -6.941 2.534 180 HB3 LYS 25 HB1 LYS 25 -13.171 -5.629 2.590 181 HG2 LYS 25 HG2 LYS 25 -13.340 -5.539 0.261 182 HG3 LYS 25 HG1 LYS 25 -11.914 -6.543 0.028 183 HD2 LYS 25 HD2 LYS 25 -13.055 -8.400 0.965 184 HD3 LYS 25 HD1 LYS 25 -14.517 -7.437 1.242 185 HE2 LYS 25 HE2 LYS 25 -13.229 -8.051 -1.435 186 HE3 LYS 25 HE1 LYS 25 -14.722 -8.760 -0.843 187 HZ1 LYS 25 HZ1 LYS 25 -15.062 -6.989 -2.447 188 HZ2 LYS 25 HZ2 LYS 25 -14.355 -5.848 -1.428 189 HZ3 LYS 25 HZ3 LYS 25 -15.792 -6.632 -0.984 190 H SER 26 HN SER 26 -9.676 -6.550 3.416 191 HA SER 26 HA SER 26 -9.835 -5.541 5.933 192 HB2 SER 26 HB2 SER 26 -7.687 -6.907 4.379 193 HB3 SER 26 HB1 SER 26 -7.778 -6.849 6.125 194 HG SER 26 HG SER 26 -9.920 -7.903 5.798 195 H PHE 27 HN PHE 27 -7.415 -5.202 3.381 196 HA PHE 27 HA PHE 27 -5.619 -3.494 4.578 197 HB2 PHE 27 HB2 PHE 27 -5.279 -4.847 2.554 198 HB3 PHE 27 HB1 PHE 27 -6.337 -3.778 1.664 199 HD1 PHE 27 HD2 PHE 27 -5.490 -1.289 1.460 200 HD2 PHE 27 HD1 PHE 27 -2.999 -4.521 2.650 201 HE1 PHE 27 HE2 PHE 27 -3.497 0.041 0.895 202 HE2 PHE 27 HE1 PHE 27 -1.004 -3.200 2.085 203 HZ PHE 27 HZ PHE 27 -1.252 -0.913 1.207 204 H LYS 28 HN LYS 28 -8.364 -2.648 2.449 205 HA LYS 28 HA LYS 28 -8.116 0.127 2.343 206 HB2 LYS 28 HB2 LYS 28 -10.627 -1.568 2.407 207 HB3 LYS 28 HB1 LYS 28 -10.622 0.143 2.025 208 HG2 LYS 28 HG2 LYS 28 -9.401 -0.236 0.008 209 HG3 LYS 28 HG1 LYS 28 -9.087 -1.913 0.449 210 HD2 LYS 28 HD2 LYS 28 -11.516 -2.380 0.326 211 HD3 LYS 28 HD1 LYS 28 -11.801 -0.712 -0.168 212 HE2 LYS 28 HE2 LYS 28 -10.506 -1.047 -2.184 213 HE3 LYS 28 HE1 LYS 28 -10.058 -2.668 -1.662 214 HZ1 LYS 28 HZ1 LYS 28 -12.307 -3.396 -1.936 215 HZ2 LYS 28 HZ2 LYS 28 -11.904 -2.574 -3.344 216 HZ3 LYS 28 HZ3 LYS 28 -12.875 -1.847 -2.193 217 H SER 29 HN SER 29 -9.957 -1.820 4.712 218 HA SER 29 HA SER 29 -10.882 0.225 6.291 219 HB2 SER 29 HB2 SER 29 -10.282 -2.621 6.526 220 HB3 SER 29 HB1 SER 29 -11.023 -1.769 7.859 221 HG SER 29 HG SER 29 -12.082 -2.694 5.496 222 H LEU 30 HN LEU 30 -8.163 -1.916 6.671 223 HA LEU 30 HA LEU 30 -7.167 -0.907 9.095 224 HB2 LEU 30 HB2 LEU 30 -5.721 -2.292 6.873 225 HB3 LEU 30 HB1 LEU 30 -5.078 -2.060 8.493 226 HG LEU 30 HG LEU 30 -7.586 -3.619 7.882 227 HD11 LEU 30 HD11 LEU 30 -5.641 -4.642 6.865 228 HD12 LEU 30 HD12 LEU 30 -6.190 -5.590 8.253 229 HD13 LEU 30 HD13 LEU 30 -4.770 -4.543 8.391 230 HD21 LEU 30 HD21 LEU 30 -7.393 -2.700 10.174 231 HD22 LEU 30 HD22 LEU 30 -5.830 -3.536 10.302 232 HD23 LEU 30 HD23 LEU 30 -7.309 -4.466 10.115 233 H LEU 31 HN LEU 31 -6.501 0.117 5.763 234 HA LEU 31 HA LEU 31 -4.389 1.837 6.589 235 HB2 LEU 31 HB2 LEU 31 -4.142 2.436 4.323 236 HB3 LEU 31 HB1 LEU 31 -4.827 0.830 4.270 237 HG LEU 31 HG LEU 31 -7.090 2.028 3.896 238 HD11 LEU 31 HD11 LEU 31 -6.328 4.275 4.394 239 HD12 LEU 31 HD12 LEU 31 -6.893 4.171 2.718 240 HD13 LEU 31 HD13 LEU 31 -5.161 4.184 3.079 241 HD21 LEU 31 HD21 LEU 31 -6.683 2.050 1.486 242 HD22 LEU 31 HD22 LEU 31 -5.944 0.641 2.255 243 HD23 LEU 31 HD23 LEU 31 -4.943 2.013 1.784 244 H TRP 32 HN TRP 32 -7.752 2.009 6.574 245 HA TRP 32 HA TRP 32 -7.956 4.848 6.618 246 HB2 TRP 32 HB2 TRP 32 -9.680 2.792 6.190 247 HB3 TRP 32 HB1 TRP 32 -10.125 3.250 7.829 248 HD1 TRP 32 HD1 TRP 32 -11.838 5.167 7.957 249 HE1 TRP 32 HE1 TRP 32 -12.656 6.990 6.334 250 HE3 TRP 32 HE3 TRP 32 -8.645 4.259 4.115 251 HZ2 TRP 32 HZ2 TRP 32 -12.018 7.915 3.745 252 HZ3 TRP 32 HZ3 TRP 32 -8.806 5.653 2.084 253 HH2 TRP 32 HH2 TRP 32 -10.452 7.439 1.910 254 H ALA 33 HN ALA 33 -6.645 2.749 8.740 255 HA ALA 33 HA ALA 33 -7.568 4.081 11.158 256 HB1 ALA 33 HB1 ALA 33 -7.630 1.636 11.124 257 HB2 ALA 33 HB2 ALA 33 -6.537 2.253 12.368 258 HB3 ALA 33 HB3 ALA 33 -5.887 1.619 10.856 259 H PHE 34 HN PHE 34 -4.874 4.243 8.974 260 HA PHE 34 HA PHE 34 -2.927 4.703 10.999 261 HB2 PHE 34 HB2 PHE 34 -1.356 5.238 9.219 262 HB3 PHE 34 HB1 PHE 34 -2.323 3.867 8.729 263 HD1 PHE 34 HD2 PHE 34 -2.601 7.612 8.376 264 HD2 PHE 34 HD1 PHE 34 -2.728 3.806 6.478 265 HE1 PHE 34 HE2 PHE 34 -3.105 8.697 6.236 266 HE2 PHE 34 HE1 PHE 34 -3.213 4.906 4.332 267 HZ PHE 34 HZ PHE 34 -3.421 7.372 4.236 268 HA PRO 35 HA PRO 35 -3.681 8.990 11.673 269 HB2 PRO 35 HB2 PRO 35 -1.159 9.960 12.098 270 HB3 PRO 35 HB1 PRO 35 -2.057 9.034 13.306 271 HG2 PRO 35 HG2 PRO 35 0.130 8.155 11.490 272 HG3 PRO 35 HG1 PRO 35 -0.212 7.668 13.159 273 HD2 PRO 35 HD2 PRO 35 -0.828 6.154 10.954 274 HD3 PRO 35 HD1 PRO 35 -1.684 6.050 12.497 275 H LEU 36 HN LEU 36 -4.417 9.972 9.971 276 HA LEU 36 HA LEU 36 -3.069 10.231 7.505 277 HB2 LEU 36 HB2 LEU 36 -5.472 11.623 8.592 278 HB3 LEU 36 HB1 LEU 36 -4.906 11.886 6.979 279 HG LEU 36 HG LEU 36 -5.308 9.422 6.525 280 HD11 LEU 36 HD11 LEU 36 -6.889 8.245 7.919 281 HD12 LEU 36 HD12 LEU 36 -6.824 9.552 9.111 282 HD13 LEU 36 HD13 LEU 36 -5.382 8.587 8.763 283 HD21 LEU 36 HD21 LEU 36 -6.788 11.123 5.712 284 HD22 LEU 36 HD22 LEU 36 -7.645 11.143 7.256 285 HD23 LEU 36 HD23 LEU 36 -7.705 9.703 6.225 286 H GLU 37 HN GLU 37 -2.283 11.993 6.559 287 HA GLU 37 HA GLU 37 -1.507 14.175 8.336 288 HB2 GLU 37 HB2 GLU 37 -0.095 13.245 5.833 289 HB3 GLU 37 HB1 GLU 37 0.536 14.311 7.086 290 HG2 GLU 37 HG2 GLU 37 0.341 12.356 8.690 291 HG3 GLU 37 HG1 GLU 37 -0.040 11.372 7.307 292 H ASP 38 HN ASP 38 -0.884 16.107 6.532 293 HA ASP 38 HA ASP 38 -3.468 16.945 5.773 294 HB2 ASP 38 HB2 ASP 38 -0.811 18.175 5.086 295 HB3 ASP 38 HB1 ASP 38 -2.351 18.889 4.630 296 H VAL 39 HN VAL 39 -0.984 15.474 3.840 297 HA VAL 39 HA VAL 39 -2.451 15.988 1.397 298 HB VAL 39 HB VAL 39 -0.245 13.935 1.769 299 HG11 VAL 39 HG11 VAL 39 -1.295 15.316 -0.704 300 HG12 VAL 39 HG12 VAL 39 -1.525 13.620 -0.276 301 HG13 VAL 39 HG13 VAL 39 0.087 14.223 -0.657 302 HG21 VAL 39 HG21 VAL 39 0.563 16.128 2.446 303 HG22 VAL 39 HG22 VAL 39 -0.029 16.823 0.940 304 HG23 VAL 39 HG23 VAL 39 1.291 15.654 0.909 305 H LEU 40 HN LEU 40 -2.388 13.546 3.784 306 HA LEU 40 HA LEU 40 -3.849 11.609 2.177 307 HB2 LEU 40 HB2 LEU 40 -2.750 11.569 4.963 308 HB3 LEU 40 HB1 LEU 40 -3.897 10.360 4.444 309 HG LEU 40 HG LEU 40 -1.672 9.471 4.355 310 HD11 LEU 40 HD11 LEU 40 -1.575 8.722 2.058 311 HD12 LEU 40 HD12 LEU 40 -2.703 9.990 1.595 312 HD13 LEU 40 HD13 LEU 40 -3.226 8.708 2.679 313 HD21 LEU 40 HD21 LEU 40 -0.379 11.529 4.101 314 HD22 LEU 40 HD22 LEU 40 -0.997 11.717 2.457 315 HD23 LEU 40 HD23 LEU 40 0.053 10.356 2.852 316 H GLN 41 HN GLN 41 -4.687 14.304 3.838 317 HA GLN 41 HA GLN 41 -6.878 13.283 5.353 318 HB2 GLN 41 HB2 GLN 41 -5.585 15.325 5.985 319 HB3 GLN 41 HB1 GLN 41 -6.359 16.125 4.614 320 HG2 GLN 41 HG2 GLN 41 -7.541 16.751 6.586 321 HG3 GLN 41 HG1 GLN 41 -8.545 15.668 5.615 322 HE21 GLN 41 HE21 GLN 41 -5.912 14.626 7.697 323 HE22 GLN 41 HE22 GLN 41 -6.929 13.821 8.839 324 H LYS 42 HN LYS 42 -7.663 12.193 3.472 325 HA LYS 42 HA LYS 42 -10.193 12.767 3.167 326 HB2 LYS 42 HB2 LYS 42 -10.553 13.297 0.699 327 HB3 LYS 42 HB1 LYS 42 -9.943 14.638 1.641 328 HG2 LYS 42 HG2 LYS 42 -7.726 14.328 0.691 329 HG3 LYS 42 HG1 LYS 42 -8.278 12.881 -0.156 330 HD2 LYS 42 HD2 LYS 42 -9.377 15.658 -0.617 331 HD3 LYS 42 HD1 LYS 42 -8.142 14.897 -1.621 332 HE2 LYS 42 HE2 LYS 42 -9.751 13.049 -2.091 333 HE3 LYS 42 HE1 LYS 42 -10.972 13.936 -1.187 334 HZ1 LYS 42 HZ1 LYS 42 -9.631 14.884 -3.663 335 HZ2 LYS 42 HZ2 LYS 42 -10.784 15.745 -2.778 336 HZ3 LYS 42 HZ3 LYS 42 -11.208 14.308 -3.534 337 H THR 43 HN THR 43 -7.635 11.648 0.997 338 HA THR 43 HA THR 43 -7.271 9.840 -0.203 339 HB THR 43 HB THR 43 -8.323 8.340 2.228 340 HG1 THR 43 HG1 THR 43 -6.602 10.051 2.514 341 HG21 THR 43 HG21 THR 43 -7.884 6.929 0.235 342 HG22 THR 43 HG22 THR 43 -6.720 6.619 1.527 343 HG23 THR 43 HG23 THR 43 -6.254 7.602 0.142 344 HA PRO 44 HA PRO 44 -11.264 9.423 -2.173 345 HB2 PRO 44 HB2 PRO 44 -10.371 8.398 -4.540 346 HB3 PRO 44 HB1 PRO 44 -10.321 10.118 -4.135 347 HG2 PRO 44 HG2 PRO 44 -8.145 8.066 -3.918 348 HG3 PRO 44 HG1 PRO 44 -8.049 9.705 -4.578 349 HD2 PRO 44 HD2 PRO 44 -7.169 9.161 -2.144 350 HD3 PRO 44 HD1 PRO 44 -8.015 10.681 -2.474 351 H TRP 45 HN TRP 45 -11.820 7.766 -0.649 352 HA TRP 45 HA TRP 45 -11.254 5.042 -0.856 353 HB2 TRP 45 HB2 TRP 45 -12.299 5.987 1.157 354 HB3 TRP 45 HB1 TRP 45 -13.735 6.419 0.241 355 HD1 TRP 45 HD1 TRP 45 -15.301 4.348 -0.568 356 HE1 TRP 45 HE1 TRP 45 -15.722 2.036 0.483 357 HE3 TRP 45 HE3 TRP 45 -11.246 4.117 2.546 358 HZ2 TRP 45 HZ2 TRP 45 -14.494 0.346 2.350 359 HZ3 TRP 45 HZ3 TRP 45 -10.952 2.118 3.920 360 HH2 TRP 45 HH2 TRP 45 -12.541 0.273 3.835 361 H SER 46 HN SER 46 -13.648 7.031 -2.487 362 HA SER 46 HA SER 46 -15.181 5.029 -3.665 363 HB2 SER 46 HB2 SER 46 -14.402 7.666 -4.919 364 HB3 SER 46 HB1 SER 46 -15.893 6.757 -5.183 365 HG SER 46 HG SER 46 -16.686 7.489 -3.385 366 H GLU 47 HN GLU 47 -12.021 6.307 -4.533 367 HA GLU 47 HA GLU 47 -11.977 4.781 -6.964 368 HB2 GLU 47 HB2 GLU 47 -9.862 6.428 -5.624 369 HB3 GLU 47 HB1 GLU 47 -9.610 5.555 -7.128 370 HG2 GLU 47 HG2 GLU 47 -11.580 6.845 -8.059 371 HG3 GLU 47 HG1 GLU 47 -11.457 7.868 -6.629 372 H VAL 48 HN VAL 48 -10.711 4.540 -3.713 373 HA VAL 48 HA VAL 48 -8.996 2.363 -4.253 374 HB VAL 48 HB VAL 48 -8.625 2.096 -1.968 375 HG11 VAL 48 HG11 VAL 48 -8.515 4.280 -0.906 376 HG12 VAL 48 HG12 VAL 48 -9.429 4.918 -2.281 377 HG13 VAL 48 HG13 VAL 48 -7.845 4.181 -2.539 378 HG21 VAL 48 HG21 VAL 48 -10.786 1.519 -1.128 379 HG22 VAL 48 HG22 VAL 48 -11.384 3.143 -1.378 380 HG23 VAL 48 HG23 VAL 48 -10.166 2.840 -0.130 381 H GLU 49 HN GLU 49 -12.398 2.610 -3.557 382 HA GLU 49 HA GLU 49 -12.940 -0.019 -2.964 383 HB2 GLU 49 HB2 GLU 49 -14.413 2.351 -3.535 384 HB3 GLU 49 HB1 GLU 49 -15.207 0.896 -4.141 385 HG2 GLU 49 HG2 GLU 49 -13.904 1.009 -1.604 386 HG3 GLU 49 HG1 GLU 49 -15.584 1.613 -1.669 387 H GLU 50 HN GLU 50 -12.910 1.700 -5.982 388 HA GLU 50 HA GLU 50 -13.741 -0.729 -7.056 389 HB2 GLU 50 HB2 GLU 50 -13.501 1.938 -8.419 390 HB3 GLU 50 HB1 GLU 50 -14.062 0.472 -9.218 391 HG2 GLU 50 HG2 GLU 50 -15.892 0.302 -7.578 392 HG3 GLU 50 HG1 GLU 50 -15.337 1.795 -6.828 393 H ALA 51 HN ALA 51 -11.036 0.267 -6.182 394 HA ALA 51 HA ALA 51 -9.243 -0.363 -8.454 395 HB1 ALA 51 HB1 ALA 51 -7.471 0.378 -6.981 396 HB2 ALA 51 HB2 ALA 51 -8.623 0.595 -5.668 397 HB3 ALA 51 HB3 ALA 51 -8.706 1.635 -7.087 398 H ASP 52 HN ASP 52 -7.552 -1.821 -8.032 399 HA ASP 52 HA ASP 52 -7.749 -3.592 -5.822 400 HB2 ASP 52 HB2 ASP 52 -8.038 -5.601 -7.161 401 HB3 ASP 52 HB1 ASP 52 -9.416 -4.541 -7.408 402 H GLY 53 HN GLY 53 -5.854 -4.676 -5.569 403 HA2 GLY 53 HA2 GLY 53 -3.589 -5.017 -5.674 404 HA3 GLY 53 HA1 GLY 53 -3.967 -5.344 -7.351 405 H LYS 54 HN LYS 54 -3.263 -4.115 -8.867 406 HA LYS 54 HA LYS 54 -1.047 -2.422 -8.491 407 HB2 LYS 54 HB2 LYS 54 -1.801 -3.767 -10.559 408 HB3 LYS 54 HB1 LYS 54 -2.822 -2.396 -10.914 409 HG2 LYS 54 HG2 LYS 54 0.057 -1.931 -10.476 410 HG3 LYS 54 HG1 LYS 54 -0.390 -2.718 -11.959 411 HD2 LYS 54 HD2 LYS 54 -0.345 -0.504 -12.683 412 HD3 LYS 54 HD1 LYS 54 -2.006 -0.546 -12.104 413 HE2 LYS 54 HE2 LYS 54 -1.496 0.562 -10.166 414 HE3 LYS 54 HE1 LYS 54 0.238 0.213 -10.276 415 HZ1 LYS 54 HZ1 LYS 54 0.029 2.453 -10.804 416 HZ2 LYS 54 HZ2 LYS 54 -1.331 2.293 -11.778 417 HZ3 LYS 54 HZ3 LYS 54 0.172 1.738 -12.299 418 H LYS 55 HN LYS 55 -4.357 -1.711 -9.381 419 HA LYS 55 HA LYS 55 -4.007 0.957 -9.652 420 HB2 LYS 55 HB2 LYS 55 -6.344 -0.727 -9.234 421 HB3 LYS 55 HB1 LYS 55 -6.585 0.980 -8.893 422 HG2 LYS 55 HG2 LYS 55 -5.447 -0.108 -11.431 423 HG3 LYS 55 HG1 LYS 55 -7.159 0.264 -11.184 424 HD2 LYS 55 HD2 LYS 55 -4.861 2.245 -11.041 425 HD3 LYS 55 HD1 LYS 55 -5.986 2.081 -12.384 426 HE2 LYS 55 HE2 LYS 55 -7.840 2.645 -10.835 427 HE3 LYS 55 HE1 LYS 55 -6.656 2.934 -9.562 428 HZ1 LYS 55 HZ1 LYS 55 -6.963 4.417 -12.104 429 HZ2 LYS 55 HZ2 LYS 55 -5.654 4.618 -11.062 430 HZ3 LYS 55 HZ3 LYS 55 -7.220 5.001 -10.539 431 H LEU 56 HN LEU 56 -4.628 -0.881 -6.746 432 HA LEU 56 HA LEU 56 -5.333 1.334 -5.155 433 HB2 LEU 56 HB2 LEU 56 -5.868 -0.998 -4.533 434 HB3 LEU 56 HB1 LEU 56 -4.170 -1.292 -4.262 435 HG LEU 56 HG LEU 56 -4.158 0.389 -2.454 436 HD11 LEU 56 HD11 LEU 56 -6.281 1.221 -1.565 437 HD12 LEU 56 HD12 LEU 56 -7.128 0.514 -2.943 438 HD13 LEU 56 HD13 LEU 56 -5.967 1.817 -3.191 439 HD21 LEU 56 HD21 LEU 56 -4.505 -1.950 -1.935 440 HD22 LEU 56 HD22 LEU 56 -6.244 -1.745 -2.148 441 HD23 LEU 56 HD23 LEU 56 -5.411 -0.917 -0.831 442 H ALA 57 HN ALA 57 -2.305 -0.287 -5.875 443 HA ALA 57 HA ALA 57 -0.587 1.081 -4.116 444 HB1 ALA 57 HB1 ALA 57 0.097 -0.920 -5.397 445 HB2 ALA 57 HB2 ALA 57 1.206 0.424 -5.656 446 HB3 ALA 57 HB3 ALA 57 0.008 0.024 -6.881 447 H GLU 58 HN GLU 58 -1.930 1.911 -7.174 448 HA GLU 58 HA GLU 58 -0.291 4.129 -7.830 449 HB2 GLU 58 HB2 GLU 58 -1.622 2.819 -9.430 450 HB3 GLU 58 HB1 GLU 58 -3.091 3.409 -8.682 451 HG2 GLU 58 HG2 GLU 58 -2.523 5.674 -9.382 452 HG3 GLU 58 HG1 GLU 58 -1.054 5.056 -10.148 453 H ILE 59 HN ILE 59 -3.270 3.675 -6.048 454 HA ILE 59 HA ILE 59 -3.868 6.424 -5.743 455 HB ILE 59 HB ILE 59 -4.863 3.990 -4.215 456 HG12 ILE 59 HG12 ILE 59 -6.288 5.551 -6.339 457 HG13 ILE 59 HG11 ILE 59 -5.183 4.244 -6.765 458 HG21 ILE 59 HG21 ILE 59 -5.937 6.824 -4.334 459 HG22 ILE 59 HG22 ILE 59 -5.247 6.041 -2.911 460 HG23 ILE 59 HG23 ILE 59 -6.769 5.463 -3.593 461 HD11 ILE 59 HD11 ILE 59 -7.706 4.068 -5.126 462 HD12 ILE 59 HD12 ILE 59 -6.587 2.738 -5.489 463 HD13 ILE 59 HD13 ILE 59 -7.450 3.520 -6.795 464 H LEU 60 HN LEU 60 -2.188 3.986 -3.840 465 HA LEU 60 HA LEU 60 -1.681 5.542 -1.557 466 HB2 LEU 60 HB2 LEU 60 -0.357 3.129 -2.721 467 HB3 LEU 60 HB1 LEU 60 0.504 4.016 -1.490 468 HG LEU 60 HG LEU 60 -0.612 2.108 -0.523 469 HD11 LEU 60 HD11 LEU 60 -1.863 3.164 1.256 470 HD12 LEU 60 HD12 LEU 60 -1.957 4.656 0.325 471 HD13 LEU 60 HD13 LEU 60 -0.389 4.052 0.872 472 HD21 LEU 60 HD21 LEU 60 -2.447 1.833 -2.097 473 HD22 LEU 60 HD22 LEU 60 -3.198 3.312 -1.499 474 HD23 LEU 60 HD23 LEU 60 -3.049 1.907 -0.442 475 H VAL 61 HN VAL 61 0.316 5.118 -4.494 476 HA VAL 61 HA VAL 61 2.277 6.942 -3.533 477 HB VAL 61 HB VAL 61 3.278 6.930 -5.767 478 HG11 VAL 61 HG11 VAL 61 3.758 4.533 -5.971 479 HG12 VAL 61 HG12 VAL 61 2.424 4.194 -4.871 480 HG13 VAL 61 HG13 VAL 61 3.825 5.101 -4.305 481 HG21 VAL 61 HG21 VAL 61 2.309 5.599 -7.602 482 HG22 VAL 61 HG22 VAL 61 1.274 6.954 -7.144 483 HG23 VAL 61 HG23 VAL 61 0.876 5.320 -6.610 484 H ASN 62 HN ASN 62 -0.704 7.390 -5.089 485 HA ASN 62 HA ASN 62 -0.293 9.928 -6.220 486 HB2 ASN 62 HB2 ASN 62 -2.258 8.644 -6.815 487 HB3 ASN 62 HB1 ASN 62 -2.809 8.624 -5.149 488 HD21 ASN 62 HD21 ASN 62 -4.791 9.504 -5.756 489 HD22 ASN 62 HD22 ASN 62 -4.968 11.176 -6.126 490 H THR 63 HN THR 63 -1.226 8.945 -2.946 491 HA THR 63 HA THR 63 -1.333 11.767 -2.213 492 HB THR 63 HB THR 63 -2.477 10.901 -0.174 493 HG1 THR 63 HG1 THR 63 -3.389 8.634 -0.834 494 HG21 THR 63 HG21 THR 63 -3.700 10.252 -2.864 495 HG22 THR 63 HG22 THR 63 -3.738 11.817 -2.050 496 HG23 THR 63 HG23 THR 63 -4.603 10.441 -1.362 497 H SER 64 HN SER 64 0.249 8.727 -1.313 498 HA SER 64 HA SER 64 1.546 10.054 0.928 499 HB2 SER 64 HB2 SER 64 1.667 7.190 0.019 500 HB3 SER 64 HB1 SER 64 2.194 7.842 1.572 501 HG SER 64 HG SER 64 -0.458 8.042 0.619 502 H SER 65 HN SER 65 3.772 10.242 1.121 503 HA SER 65 HA SER 65 5.369 10.416 -1.201 504 HB2 SER 65 HB2 SER 65 6.180 10.126 1.699 505 HB3 SER 65 HB1 SER 65 7.170 10.811 0.408 506 HG SER 65 HG SER 65 6.039 12.229 1.902 507 H GLU 66 HN GLU 66 6.830 8.849 -1.987 508 HA GLU 66 HA GLU 66 6.061 6.186 -1.671 509 HB2 GLU 66 HB2 GLU 66 7.997 5.570 -3.028 510 HB3 GLU 66 HB1 GLU 66 7.151 6.950 -3.701 511 HG2 GLU 66 HG2 GLU 66 8.874 8.430 -2.787 512 HG3 GLU 66 HG1 GLU 66 9.709 7.021 -2.131 513 H ASN 67 HN ASN 67 8.674 7.893 -0.055 514 HA ASN 67 HA ASN 67 9.679 5.445 1.087 515 HB2 ASN 67 HB2 ASN 67 10.966 7.676 0.553 516 HB3 ASN 67 HB1 ASN 67 10.399 8.160 2.149 517 HD21 ASN 67 HD21 ASN 67 13.125 7.748 1.263 518 HD22 ASN 67 HD22 ASN 67 13.777 6.498 2.243 519 H TRP 68 HN TRP 68 7.068 7.360 1.748 520 HA TRP 68 HA TRP 68 6.967 6.957 4.653 521 HB2 TRP 68 HB2 TRP 68 6.095 9.043 3.542 522 HB3 TRP 68 HB1 TRP 68 4.904 8.062 2.716 523 HD1 TRP 68 HD1 TRP 68 5.710 9.624 6.074 524 HE1 TRP 68 HE1 TRP 68 3.609 9.614 7.540 525 HE3 TRP 68 HE3 TRP 68 2.703 6.665 3.185 526 HZ2 TRP 68 HZ2 TRP 68 1.027 8.495 7.505 527 HZ3 TRP 68 HZ3 TRP 68 0.429 6.184 3.979 528 HH2 TRP 68 HH2 TRP 68 -0.387 7.074 6.095 529 H ILE 69 HN ILE 69 5.690 5.767 1.654 530 HA ILE 69 HA ILE 69 3.618 4.160 2.673 531 HB ILE 69 HB ILE 69 5.143 3.791 0.067 532 HG12 ILE 69 HG12 ILE 69 2.596 5.317 0.594 533 HG13 ILE 69 HG11 ILE 69 4.176 6.057 0.358 534 HG21 ILE 69 HG21 ILE 69 3.086 2.674 -0.714 535 HG22 ILE 69 HG22 ILE 69 2.367 2.886 0.882 536 HG23 ILE 69 HG23 ILE 69 3.768 1.836 0.682 537 HD11 ILE 69 HD11 ILE 69 2.656 4.415 -1.655 538 HD12 ILE 69 HD12 ILE 69 4.247 5.124 -1.908 539 HD13 ILE 69 HD13 ILE 69 2.846 6.168 -1.659 540 H ARG 70 HN ARG 70 7.037 3.762 2.543 541 HA ARG 70 HA ARG 70 7.329 0.995 2.477 542 HB2 ARG 70 HB2 ARG 70 9.508 1.263 3.205 543 HB3 ARG 70 HB1 ARG 70 9.195 2.816 2.445 544 HG2 ARG 70 HG2 ARG 70 8.812 3.800 4.677 545 HG3 ARG 70 HG1 ARG 70 9.130 2.234 5.411 546 HD2 ARG 70 HD2 ARG 70 11.414 2.347 4.300 547 HD3 ARG 70 HD1 ARG 70 11.044 4.037 3.948 548 HE ARG 70 HE ARG 70 11.009 2.947 6.678 549 HH11 ARG 70 HH11 ARG 70 11.988 5.558 4.521 550 HH12 ARG 70 HH12 ARG 70 12.714 6.495 5.747 551 HH21 ARG 70 HH21 ARG 70 12.083 4.132 8.307 552 HH22 ARG 70 HH22 ARG 70 12.823 5.630 7.996 553 H ASN 71 HN ASN 71 6.384 3.102 5.066 554 HA ASN 71 HA ASN 71 6.489 0.941 7.017 555 HB2 ASN 71 HB2 ASN 71 7.206 3.247 7.691 556 HB3 ASN 71 HB1 ASN 71 5.607 3.819 7.294 557 HD21 ASN 71 HD21 ASN 71 3.961 3.612 8.738 558 HD22 ASN 71 HD22 ASN 71 4.123 2.935 10.304 559 H ALA 72 HN ALA 72 4.242 3.139 5.466 560 HA ALA 72 HA ALA 72 1.882 2.468 6.670 561 HB1 ALA 72 HB1 ALA 72 2.201 4.339 5.102 562 HB2 ALA 72 HB2 ALA 72 0.755 3.385 4.776 563 HB3 ALA 72 HB3 ALA 72 2.186 3.178 3.770 564 H THR 73 HN THR 73 3.079 1.018 3.609 565 HA THR 73 HA THR 73 0.815 -0.683 3.472 566 HB THR 73 HB THR 73 2.058 -0.004 1.413 567 HG1 THR 73 HG1 THR 73 1.408 -2.641 2.029 568 HG21 THR 73 HG21 THR 73 4.126 -1.199 0.778 569 HG22 THR 73 HG22 THR 73 4.164 -1.971 2.362 570 HG23 THR 73 HG23 THR 73 4.375 -0.227 2.228 571 H VAL 74 HN VAL 74 4.002 -1.054 4.829 572 HA VAL 74 HA VAL 74 3.852 -3.866 5.084 573 HB VAL 74 HB VAL 74 5.677 -1.837 6.416 574 HG11 VAL 74 HG11 VAL 74 5.838 -4.843 6.420 575 HG12 VAL 74 HG12 VAL 74 5.451 -3.833 7.813 576 HG13 VAL 74 HG13 VAL 74 7.049 -3.740 7.071 577 HG21 VAL 74 HG21 VAL 74 5.993 -2.070 4.008 578 HG22 VAL 74 HG22 VAL 74 6.145 -3.826 4.209 579 HG23 VAL 74 HG23 VAL 74 7.348 -2.753 4.911 580 H ASN 75 HN ASN 75 3.239 -1.150 7.320 581 HA ASN 75 HA ASN 75 2.604 -2.693 9.548 582 HB2 ASN 75 HB2 ASN 75 1.824 0.081 8.689 583 HB3 ASN 75 HB1 ASN 75 1.205 -0.626 10.169 584 HD21 ASN 75 HD21 ASN 75 2.241 0.909 11.452 585 HD22 ASN 75 HD22 ASN 75 3.951 0.884 11.689 586 H ILE 76 HN ILE 76 0.638 -1.734 6.786 587 HA ILE 76 HA ILE 76 -1.815 -2.636 7.895 588 HB ILE 76 HB ILE 76 -1.115 -2.706 4.941 589 HG12 ILE 76 HG12 ILE 76 -0.695 -0.441 5.821 590 HG13 ILE 76 HG11 ILE 76 -2.083 -0.462 4.746 591 HG21 ILE 76 HG21 ILE 76 -3.741 -2.509 6.398 592 HG22 ILE 76 HG22 ILE 76 -3.130 -3.917 5.530 593 HG23 ILE 76 HG23 ILE 76 -3.550 -2.447 4.645 594 HD11 ILE 76 HD11 ILE 76 -3.566 -0.410 6.691 595 HD12 ILE 76 HD12 ILE 76 -2.477 0.966 6.636 596 HD13 ILE 76 HD13 ILE 76 -2.157 -0.361 7.760 597 H LEU 77 HN LEU 77 0.602 -4.199 5.832 598 HA LEU 77 HA LEU 77 -0.580 -6.734 5.683 599 HB2 LEU 77 HB2 LEU 77 2.251 -5.773 5.472 600 HB3 LEU 77 HB1 LEU 77 1.875 -7.483 5.430 601 HG LEU 77 HG LEU 77 0.258 -5.958 3.549 602 HD11 LEU 77 HD11 LEU 77 3.276 -6.120 3.183 603 HD12 LEU 77 HD12 LEU 77 2.364 -4.625 3.400 604 HD13 LEU 77 HD13 LEU 77 2.126 -5.604 1.952 605 HD21 LEU 77 HD21 LEU 77 2.137 -8.272 3.277 606 HD22 LEU 77 HD22 LEU 77 0.957 -7.736 2.077 607 HD23 LEU 77 HD23 LEU 77 0.417 -8.361 3.637 608 H GLU 78 HN GLU 78 1.692 -5.414 8.036 609 HA GLU 78 HA GLU 78 1.879 -7.739 9.604 610 HB2 GLU 78 HB2 GLU 78 2.432 -4.844 10.200 611 HB3 GLU 78 HB1 GLU 78 2.678 -6.056 11.432 612 HG2 GLU 78 HG2 GLU 78 4.224 -7.230 9.827 613 HG3 GLU 78 HG1 GLU 78 4.052 -5.844 8.757 614 H GLU 79 HN GLU 79 -0.410 -5.110 9.624 615 HA GLU 79 HA GLU 79 -1.794 -5.799 12.012 616 HB2 GLU 79 HB2 GLU 79 -1.865 -3.594 10.615 617 HB3 GLU 79 HB1 GLU 79 -2.998 -4.440 9.589 618 HG2 GLU 79 HG2 GLU 79 -4.154 -3.042 11.081 619 HG3 GLU 79 HG1 GLU 79 -4.509 -4.733 11.466 620 H MET 80 HN MET 80 -1.828 -6.970 8.734 621 HA MET 80 HA MET 80 -4.279 -8.525 9.030 622 HB2 MET 80 HB2 MET 80 -2.296 -8.380 6.739 623 HB3 MET 80 HB1 MET 80 -3.806 -9.277 6.711 624 HG2 MET 80 HG2 MET 80 -5.056 -7.217 6.896 625 HG3 MET 80 HG1 MET 80 -3.559 -6.301 7.032 626 HE1 MET 80 HE1 MET 80 -4.970 -8.446 3.189 627 HE2 MET 80 HE2 MET 80 -5.918 -8.359 4.672 628 HE3 MET 80 HE3 MET 80 -4.442 -9.325 4.624 629 H ASN 81 HN ASN 81 -1.230 -8.825 10.056 630 HA ASN 81 HA ASN 81 0.089 -10.451 10.887 631 HB2 ASN 81 HB2 ASN 81 -2.117 -11.359 11.842 632 HB3 ASN 81 HB1 ASN 81 -2.234 -12.362 10.419 633 HD21 ASN 81 HD21 ASN 81 -1.262 -14.198 10.427 634 HD22 ASN 81 HD22 ASN 81 -0.261 -14.866 11.671 635 H LEU 82 HN LEU 82 -0.175 -9.878 8.013 636 HA LEU 82 HA LEU 82 0.611 -12.311 6.670 637 HB2 LEU 82 HB2 LEU 82 0.399 -9.430 5.817 638 HB3 LEU 82 HB1 LEU 82 0.973 -10.700 4.745 639 HG LEU 82 HG LEU 82 -1.788 -10.638 6.003 640 HD11 LEU 82 HD11 LEU 82 -0.911 -9.905 3.205 641 HD12 LEU 82 HD12 LEU 82 -1.503 -8.777 4.431 642 HD13 LEU 82 HD13 LEU 82 -2.571 -10.013 3.776 643 HD21 LEU 82 HD21 LEU 82 -2.278 -12.323 4.342 644 HD22 LEU 82 HD22 LEU 82 -0.964 -12.857 5.409 645 HD23 LEU 82 HD23 LEU 82 -0.607 -12.241 3.784 646 H THR 83 HN THR 83 2.667 -12.952 6.392 647 HA THR 83 HA THR 83 4.733 -11.037 7.189 648 HB THR 83 HB THR 83 6.068 -13.151 7.719 649 HG1 THR 83 HG1 THR 83 3.619 -14.329 8.321 650 HG21 THR 83 HG21 THR 83 5.146 -13.232 9.976 651 HG22 THR 83 HG22 THR 83 3.720 -12.343 9.406 652 HG23 THR 83 HG23 THR 83 5.320 -11.578 9.382 653 H GLU 84 HN GLU 84 4.042 -13.825 5.217 654 HA GLU 84 HA GLU 84 6.379 -14.192 3.914 655 HB2 GLU 84 HB2 GLU 84 4.915 -15.066 1.984 656 HB3 GLU 84 HB1 GLU 84 4.723 -15.811 3.559 657 HG2 GLU 84 HG2 GLU 84 2.906 -13.563 2.864 658 HG3 GLU 84 HG1 GLU 84 2.610 -15.122 2.072 659 H LEU 85 HN LEU 85 3.782 -12.342 2.286 660 HA LEU 85 HA LEU 85 5.660 -11.237 0.469 661 HB2 LEU 85 HB2 LEU 85 3.802 -10.031 -0.527 662 HB3 LEU 85 HB1 LEU 85 3.369 -11.695 -0.261 663 HG LEU 85 HG LEU 85 2.423 -9.363 1.422 664 HD11 LEU 85 HD11 LEU 85 0.270 -9.741 0.332 665 HD12 LEU 85 HD12 LEU 85 1.023 -10.944 -0.716 666 HD13 LEU 85 HD13 LEU 85 1.522 -9.254 -0.808 667 HD21 LEU 85 HD21 LEU 85 1.589 -12.273 1.427 668 HD22 LEU 85 HD22 LEU 85 0.744 -10.976 2.264 669 HD23 LEU 85 HD23 LEU 85 2.385 -11.398 2.744 670 H CYS 86 HN CYS 86 4.431 -10.289 3.493 671 HA CYS 86 HA CYS 86 4.819 -7.487 3.372 672 HB2 CYS 86 HB2 CYS 86 3.460 -8.593 5.064 673 HB3 CYS 86 HB1 CYS 86 4.894 -9.415 5.643 674 HG CYS 86 HG CYS 86 4.011 -7.369 7.414 675 H LYS 87 HN LYS 87 6.876 -10.163 4.318 676 HA LYS 87 HA LYS 87 9.078 -8.604 5.147 677 HB2 LYS 87 HB2 LYS 87 8.802 -11.467 4.291 678 HB3 LYS 87 HB1 LYS 87 10.300 -10.773 4.907 679 HG2 LYS 87 HG2 LYS 87 9.423 -10.423 7.028 680 HG3 LYS 87 HG1 LYS 87 7.752 -10.583 6.474 681 HD2 LYS 87 HD2 LYS 87 8.505 -12.535 7.758 682 HD3 LYS 87 HD1 LYS 87 8.094 -12.954 6.095 683 HE2 LYS 87 HE2 LYS 87 10.071 -14.073 6.690 684 HE3 LYS 87 HE1 LYS 87 10.437 -12.798 5.518 685 HZ1 LYS 87 HZ1 LYS 87 11.269 -11.389 7.308 686 HZ2 LYS 87 HZ2 LYS 87 12.082 -12.866 7.353 687 HZ3 LYS 87 HZ3 LYS 87 10.858 -12.546 8.453 688 H MET 88 HN MET 88 7.955 -9.733 2.091 689 HA MET 88 HA MET 88 10.349 -9.175 0.645 690 HB2 MET 88 HB2 MET 88 7.473 -9.423 -0.248 691 HB3 MET 88 HB1 MET 88 8.801 -9.147 -1.362 692 HG2 MET 88 HG2 MET 88 8.523 -11.505 0.473 693 HG3 MET 88 HG1 MET 88 8.138 -11.506 -1.256 694 HE1 MET 88 HE1 MET 88 11.688 -10.891 -2.827 695 HE2 MET 88 HE2 MET 88 10.528 -9.646 -2.383 696 HE3 MET 88 HE3 MET 88 9.973 -11.128 -3.160 697 H ALA 89 HN ALA 89 7.476 -7.413 1.532 698 HA ALA 89 HA ALA 89 7.977 -5.065 0.079 699 HB1 ALA 89 HB1 ALA 89 6.551 -5.391 2.698 700 HB2 ALA 89 HB2 ALA 89 5.879 -5.657 1.087 701 HB3 ALA 89 HB3 ALA 89 6.404 -4.029 1.561 702 H LYS 90 HN LYS 90 8.777 -6.125 3.352 703 HA LYS 90 HA LYS 90 10.175 -3.877 4.261 704 HB2 LYS 90 HB2 LYS 90 10.450 -6.790 4.978 705 HB3 LYS 90 HB1 LYS 90 11.342 -5.517 5.797 706 HG2 LYS 90 HG2 LYS 90 9.268 -4.513 6.521 707 HG3 LYS 90 HG1 LYS 90 8.352 -5.733 5.634 708 HD2 LYS 90 HD2 LYS 90 9.273 -7.477 7.024 709 HD3 LYS 90 HD1 LYS 90 10.276 -6.304 7.887 710 HE2 LYS 90 HE2 LYS 90 7.302 -6.149 7.722 711 HE3 LYS 90 HE1 LYS 90 8.125 -6.988 9.052 712 HZ1 LYS 90 HZ1 LYS 90 9.110 -4.856 9.692 713 HZ2 LYS 90 HZ2 LYS 90 7.439 -4.703 9.577 714 HZ3 LYS 90 HZ3 LYS 90 8.416 -4.091 8.357 715 H ALA 91 HN ALA 91 11.159 -6.563 2.319 716 HA ALA 91 HA ALA 91 13.909 -5.995 2.477 717 HB1 ALA 91 HB1 ALA 91 14.187 -7.766 0.827 718 HB2 ALA 91 HB2 ALA 91 12.487 -7.650 0.402 719 HB3 ALA 91 HB3 ALA 91 12.943 -8.270 1.988 720 H GLU 92 HN GLU 92 11.412 -5.298 0.239 721 HA GLU 92 HA GLU 92 13.207 -4.243 -1.795 722 HB2 GLU 92 HB2 GLU 92 10.350 -4.888 -1.581 723 HB3 GLU 92 HB1 GLU 92 10.953 -4.087 -3.011 724 HG2 GLU 92 HG2 GLU 92 12.041 -6.655 -1.886 725 HG3 GLU 92 HG1 GLU 92 10.733 -6.649 -3.028 726 H MET 93 HN MET 93 10.218 -3.150 -0.231 727 HA MET 93 HA MET 93 10.343 -0.628 -1.537 728 HB2 MET 93 HB2 MET 93 8.368 -2.268 -0.721 729 HB3 MET 93 HB1 MET 93 8.487 -1.206 0.657 730 HG2 MET 93 HG2 MET 93 8.260 -0.099 -2.075 731 HG3 MET 93 HG1 MET 93 6.865 -0.701 -1.190 732 HE1 MET 93 HE1 MET 93 7.210 2.223 -2.353 733 HE2 MET 93 HE2 MET 93 6.750 3.291 -1.042 734 HE3 MET 93 HE3 MET 93 5.765 1.869 -1.400 735 H MET 94 HN MET 94 11.109 -1.928 1.586 736 HA MET 94 HA MET 94 11.214 0.686 2.787 737 HB2 MET 94 HB2 MET 94 12.220 -1.908 3.948 738 HB3 MET 94 HB1 MET 94 12.019 -0.385 4.801 739 HG2 MET 94 HG2 MET 94 9.564 -0.541 4.291 740 HG3 MET 94 HG1 MET 94 9.932 -2.142 3.635 741 HE1 MET 94 HE1 MET 94 11.579 -0.463 6.834 742 HE2 MET 94 HE2 MET 94 10.499 -1.040 8.100 743 HE3 MET 94 HE3 MET 94 9.907 0.095 6.888 744 H GLU 95 HN GLU 95 12.580 1.869 1.712 745 HA GLU 95 HA GLU 95 15.223 1.207 1.226 746 HB2 GLU 95 HB2 GLU 95 13.963 3.913 1.788 747 HB3 GLU 95 HB1 GLU 95 15.628 3.712 1.253 748 HG2 GLU 95 HG2 GLU 95 14.825 2.623 -0.804 749 HG3 GLU 95 HG1 GLU 95 13.169 2.856 -0.270 750 H ASP 96 HN ASP 96 17.064 1.447 2.436 751 HA ASP 96 HA ASP 96 16.675 0.735 5.157 752 HB2 ASP 96 HB2 ASP 96 18.496 -0.126 3.596 753 HB3 ASP 96 HB1 ASP 96 19.333 1.396 3.879 754 H GLY 97 HN GLY 97 18.315 1.783 6.849 755 HA2 GLY 97 HA2 GLY 97 17.242 4.375 7.370 756 HA3 GLY 97 HA1 GLY 97 18.408 3.505 8.352 757 H GLN 98 HN GLN 98 18.229 5.035 5.224 758 HA GLN 98 HA GLN 98 20.948 5.877 5.101 759 HB2 GLN 98 HB2 GLN 98 18.533 7.013 3.684 760 HB3 GLN 98 HB1 GLN 98 20.210 7.207 3.184 761 HG2 GLN 98 HG2 GLN 98 20.364 4.823 2.737 762 HG3 GLN 98 HG1 GLN 98 18.720 4.592 3.310 763 HE21 GLN 98 HE21 GLN 98 17.836 7.124 1.948 764 HE22 GLN 98 HE22 GLN 98 17.730 6.680 0.291 Start of MODEL 12 1 H MET 3 HT1 MET 3 15.358 1.072 -5.720 2 HA MET 3 HA MET 3 13.172 1.425 -4.789 3 HB2 MET 3 HB2 MET 3 13.958 1.635 -2.416 4 HB3 MET 3 HB1 MET 3 14.621 3.211 -2.819 5 HG2 MET 3 HG2 MET 3 12.345 3.983 -3.402 6 HG3 MET 3 HG1 MET 3 11.714 2.418 -2.904 7 HE1 MET 3 HE1 MET 3 13.295 5.801 -1.777 8 HE2 MET 3 HE2 MET 3 14.546 4.669 -1.254 9 HE3 MET 3 HE3 MET 3 13.590 5.544 -0.060 10 H THR 4 HN THR 4 12.388 2.595 -6.411 11 HA THR 4 HA THR 4 13.042 5.395 -6.604 12 HB THR 4 HB THR 4 12.976 3.730 -9.099 13 HG1 THR 4 HG1 THR 4 15.104 4.149 -7.294 14 HG21 THR 4 HG21 THR 4 14.243 5.639 -10.056 15 HG22 THR 4 HG22 THR 4 14.181 6.437 -8.484 16 HG23 THR 4 HG23 THR 4 12.692 6.124 -9.376 17 H SER 5 HN SER 5 11.325 6.286 -8.157 18 HA SER 5 HA SER 5 8.906 5.689 -7.039 19 HB2 SER 5 HB2 SER 5 9.352 7.157 -9.640 20 HB3 SER 5 HB1 SER 5 7.947 7.290 -8.573 21 HG SER 5 HG SER 5 9.452 7.888 -6.906 22 HA PRO 6 HA PRO 6 7.285 3.248 -10.939 23 HB2 PRO 6 HB2 PRO 6 9.798 2.144 -12.061 24 HB3 PRO 6 HB1 PRO 6 8.388 2.779 -12.911 25 HG2 PRO 6 HG2 PRO 6 10.653 4.164 -12.835 26 HG3 PRO 6 HG1 PRO 6 9.087 4.985 -12.692 27 HD2 PRO 6 HD2 PRO 6 11.053 4.257 -10.552 28 HD3 PRO 6 HD1 PRO 6 10.142 5.765 -10.773 29 H GLN 7 HN GLN 7 10.322 2.154 -9.531 30 HA GLN 7 HA GLN 7 9.510 -0.562 -9.359 31 HB2 GLN 7 HB2 GLN 7 11.860 0.862 -8.107 32 HB3 GLN 7 HB1 GLN 7 11.599 -0.872 -7.989 33 HG2 GLN 7 HG2 GLN 7 13.198 -0.508 -9.712 34 HG3 GLN 7 HG1 GLN 7 11.692 -0.970 -10.492 35 HE21 GLN 7 HE21 GLN 7 12.139 -0.014 -12.417 36 HE22 GLN 7 HE22 GLN 7 12.273 1.678 -12.663 37 H LEU 8 HN LEU 8 9.364 2.162 -7.296 38 HA LEU 8 HA LEU 8 8.811 0.956 -4.819 39 HB2 LEU 8 HB2 LEU 8 9.450 3.342 -5.240 40 HB3 LEU 8 HB1 LEU 8 7.909 3.598 -5.999 41 HG LEU 8 HG LEU 8 8.146 4.593 -3.782 42 HD11 LEU 8 HD11 LEU 8 5.909 4.019 -4.659 43 HD12 LEU 8 HD12 LEU 8 5.977 3.962 -2.897 44 HD13 LEU 8 HD13 LEU 8 6.006 2.465 -3.836 45 HD21 LEU 8 HD21 LEU 8 8.095 3.196 -1.782 46 HD22 LEU 8 HD22 LEU 8 9.555 2.942 -2.738 47 HD23 LEU 8 HD23 LEU 8 8.247 1.756 -2.791 48 H GLU 9 HN GLU 9 6.723 2.277 -7.362 49 HA GLU 9 HA GLU 9 4.291 1.352 -6.253 50 HB2 GLU 9 HB2 GLU 9 4.553 3.231 -7.718 51 HB3 GLU 9 HB1 GLU 9 4.927 2.163 -9.074 52 HG2 GLU 9 HG2 GLU 9 2.456 1.600 -7.591 53 HG3 GLU 9 HG1 GLU 9 2.460 3.103 -8.480 54 H TRP 10 HN TRP 10 6.695 -0.049 -8.348 55 HA TRP 10 HA TRP 10 5.237 -2.263 -9.221 56 HB2 TRP 10 HB2 TRP 10 7.388 -1.847 -10.259 57 HB3 TRP 10 HB1 TRP 10 8.202 -1.985 -8.701 58 HD1 TRP 10 HD1 TRP 10 6.410 -4.236 -11.308 59 HE1 TRP 10 HE1 TRP 10 7.256 -6.617 -11.026 60 HE3 TRP 10 HE3 TRP 10 9.314 -3.587 -7.142 61 HZ2 TRP 10 HZ2 TRP 10 8.910 -8.073 -9.273 62 HZ3 TRP 10 HZ3 TRP 10 10.480 -5.544 -6.218 63 HH2 TRP 10 HH2 TRP 10 10.272 -7.746 -7.263 64 H THR 11 HN THR 11 7.347 -1.881 -6.335 65 HA THR 11 HA THR 11 6.897 -4.455 -5.378 66 HB THR 11 HB THR 11 7.443 -2.028 -3.582 67 HG1 THR 11 HG1 THR 11 9.128 -3.603 -5.238 68 HG21 THR 11 HG21 THR 11 6.906 -4.120 -2.413 69 HG22 THR 11 HG22 THR 11 8.637 -3.765 -2.271 70 HG23 THR 11 HG23 THR 11 8.076 -4.981 -3.406 71 H LEU 12 HN LEU 12 5.157 -1.477 -4.808 72 HA LEU 12 HA LEU 12 3.258 -2.405 -3.002 73 HB2 LEU 12 HB2 LEU 12 3.225 -0.308 -5.086 74 HB3 LEU 12 HB1 LEU 12 1.811 -0.589 -4.073 75 HG LEU 12 HG LEU 12 4.550 0.223 -3.116 76 HD11 LEU 12 HD11 LEU 12 3.481 2.346 -2.589 77 HD12 LEU 12 HD12 LEU 12 1.961 1.772 -3.278 78 HD13 LEU 12 HD13 LEU 12 3.370 2.010 -4.315 79 HD21 LEU 12 HD21 LEU 12 3.433 -1.156 -1.485 80 HD22 LEU 12 HD22 LEU 12 1.951 -0.214 -1.650 81 HD23 LEU 12 HD23 LEU 12 3.400 0.523 -0.960 82 H GLN 13 HN GLN 13 3.021 -2.172 -6.562 83 HA GLN 13 HA GLN 13 0.451 -3.254 -6.651 84 HB2 GLN 13 HB2 GLN 13 0.654 -3.344 -9.019 85 HB3 GLN 13 HB1 GLN 13 1.596 -1.955 -8.512 86 HG2 GLN 13 HG2 GLN 13 3.639 -3.324 -8.723 87 HG3 GLN 13 HG1 GLN 13 2.655 -4.652 -9.306 88 HE21 GLN 13 HE21 GLN 13 2.173 -1.234 -10.159 89 HE22 GLN 13 HE22 GLN 13 2.580 -1.459 -11.805 90 H THR 14 HN THR 14 3.623 -4.757 -6.780 91 HA THR 14 HA THR 14 2.781 -7.319 -7.512 92 HB THR 14 HB THR 14 5.204 -6.557 -5.842 93 HG1 THR 14 HG1 THR 14 5.407 -5.463 -7.714 94 HG21 THR 14 HG21 THR 14 4.767 -8.998 -5.891 95 HG22 THR 14 HG22 THR 14 6.206 -8.555 -6.836 96 HG23 THR 14 HG23 THR 14 4.687 -8.906 -7.660 97 H LEU 15 HN LEU 15 3.258 -5.879 -4.291 98 HA LEU 15 HA LEU 15 2.504 -8.121 -2.765 99 HB2 LEU 15 HB2 LEU 15 2.210 -5.181 -2.194 100 HB3 LEU 15 HB1 LEU 15 2.021 -6.449 -1.002 101 HG LEU 15 HG LEU 15 4.595 -6.015 -2.509 102 HD11 LEU 15 HD11 LEU 15 5.392 -4.825 -0.557 103 HD12 LEU 15 HD12 LEU 15 3.811 -4.972 0.210 104 HD13 LEU 15 HD13 LEU 15 4.000 -3.981 -1.243 105 HD21 LEU 15 HD21 LEU 15 4.296 -8.226 -1.463 106 HD22 LEU 15 HD22 LEU 15 3.972 -7.444 0.089 107 HD23 LEU 15 HD23 LEU 15 5.548 -7.290 -0.654 108 H LEU 16 HN LEU 16 0.643 -5.370 -3.977 109 HA LEU 16 HA LEU 16 -1.778 -6.303 -2.814 110 HB2 LEU 16 HB2 LEU 16 -1.348 -4.097 -4.832 111 HB3 LEU 16 HB1 LEU 16 -2.821 -4.401 -3.931 112 HG LEU 16 HG LEU 16 -0.198 -3.574 -2.682 113 HD11 LEU 16 HD11 LEU 16 -1.275 -1.437 -2.305 114 HD12 LEU 16 HD12 LEU 16 -2.728 -2.014 -3.115 115 HD13 LEU 16 HD13 LEU 16 -1.238 -1.805 -4.031 116 HD21 LEU 16 HD21 LEU 16 -2.956 -3.884 -1.509 117 HD22 LEU 16 HD22 LEU 16 -1.555 -3.220 -0.682 118 HD23 LEU 16 HD23 LEU 16 -1.559 -4.917 -1.184 119 H GLU 17 HN GLU 17 -0.214 -7.065 -5.776 120 HA GLU 17 HA GLU 17 -2.688 -8.081 -6.884 121 HB2 GLU 17 HB2 GLU 17 0.146 -8.284 -7.900 122 HB3 GLU 17 HB1 GLU 17 -1.224 -9.031 -8.712 123 HG2 GLU 17 HG2 GLU 17 -2.250 -6.743 -8.892 124 HG3 GLU 17 HG1 GLU 17 -0.734 -6.095 -8.277 125 H GLN 18 HN GLN 18 -0.665 -9.035 -4.572 126 HA GLN 18 HA GLN 18 -1.153 -11.887 -4.999 127 HB2 GLN 18 HB2 GLN 18 0.610 -10.383 -3.063 128 HB3 GLN 18 HB1 GLN 18 0.323 -12.110 -2.925 129 HG2 GLN 18 HG2 GLN 18 1.368 -12.517 -5.031 130 HG3 GLN 18 HG1 GLN 18 1.463 -10.789 -5.371 131 HE21 GLN 18 HE21 GLN 18 2.970 -9.596 -4.383 132 HE22 GLN 18 HE22 GLN 18 4.350 -10.234 -3.551 133 H LEU 19 HN LEU 19 -1.546 -9.336 -2.571 134 HA LEU 19 HA LEU 19 -3.698 -10.869 -1.305 135 HB2 LEU 19 HB2 LEU 19 -3.391 -9.479 0.585 136 HB3 LEU 19 HB1 LEU 19 -1.758 -9.723 0.005 137 HG LEU 19 HG LEU 19 -2.532 -7.449 -1.285 138 HD11 LEU 19 HD11 LEU 19 -3.451 -5.919 0.364 139 HD12 LEU 19 HD12 LEU 19 -3.809 -7.317 1.405 140 HD13 LEU 19 HD13 LEU 19 -4.515 -7.195 -0.220 141 HD21 LEU 19 HD21 LEU 19 -1.046 -7.627 1.324 142 HD22 LEU 19 HD22 LEU 19 -1.156 -6.214 0.241 143 HD23 LEU 19 HD23 LEU 19 -0.399 -7.689 -0.338 144 H ASN 20 HN ASN 20 -5.736 -10.373 -2.137 145 HA ASN 20 HA ASN 20 -6.425 -7.654 -2.517 146 HB2 ASN 20 HB2 ASN 20 -6.983 -7.775 -4.998 147 HB3 ASN 20 HB1 ASN 20 -5.283 -7.666 -4.540 148 HD21 ASN 20 HD21 ASN 20 -4.072 -9.471 -4.625 149 HD22 ASN 20 HD22 ASN 20 -4.391 -10.799 -5.714 150 H GLU 21 HN GLU 21 -7.477 -10.882 -3.584 151 HA GLU 21 HA GLU 21 -10.074 -10.284 -4.224 152 HB2 GLU 21 HB2 GLU 21 -8.635 -12.530 -4.260 153 HB3 GLU 21 HB1 GLU 21 -9.580 -12.869 -2.822 154 HG2 GLU 21 HG2 GLU 21 -10.677 -12.282 -5.569 155 HG3 GLU 21 HG1 GLU 21 -10.567 -13.865 -4.820 156 H ASP 22 HN ASP 22 -9.419 -11.943 -1.117 157 HA ASP 22 HA ASP 22 -11.646 -10.378 -0.006 158 HB2 ASP 22 HB2 ASP 22 -11.842 -12.845 0.136 159 HB3 ASP 22 HB1 ASP 22 -10.330 -12.910 1.024 160 H GLU 23 HN GLU 23 -8.531 -10.291 -0.260 161 HA GLU 23 HA GLU 23 -7.607 -9.878 2.455 162 HB2 GLU 23 HB2 GLU 23 -6.062 -9.311 -0.044 163 HB3 GLU 23 HB1 GLU 23 -5.478 -9.855 1.524 164 HG2 GLU 23 HG2 GLU 23 -7.212 -11.491 -0.266 165 HG3 GLU 23 HG1 GLU 23 -5.448 -11.579 -0.317 166 H LEU 24 HN LEU 24 -8.242 -7.953 -0.460 167 HA LEU 24 HA LEU 24 -6.925 -5.617 0.484 168 HB2 LEU 24 HB2 LEU 24 -7.777 -6.465 -1.952 169 HB3 LEU 24 HB1 LEU 24 -9.047 -5.356 -1.536 170 HG LEU 24 HG LEU 24 -7.423 -3.535 -1.293 171 HD11 LEU 24 HD11 LEU 24 -5.432 -5.616 -2.200 172 HD12 LEU 24 HD12 LEU 24 -5.450 -4.797 -0.634 173 HD13 LEU 24 HD13 LEU 24 -5.129 -3.887 -2.106 174 HD21 LEU 24 HD21 LEU 24 -7.254 -5.035 -3.899 175 HD22 LEU 24 HD22 LEU 24 -6.868 -3.331 -3.665 176 HD23 LEU 24 HD23 LEU 24 -8.520 -3.900 -3.435 177 H LYS 25 HN LYS 25 -10.045 -6.969 0.812 178 HA LYS 25 HA LYS 25 -11.672 -4.773 1.394 179 HB2 LYS 25 HB2 LYS 25 -11.720 -7.553 2.575 180 HB3 LYS 25 HB1 LYS 25 -13.055 -6.410 2.577 181 HG2 LYS 25 HG2 LYS 25 -13.357 -6.586 0.253 182 HG3 LYS 25 HG1 LYS 25 -11.807 -7.407 0.033 183 HD2 LYS 25 HD2 LYS 25 -12.604 -9.299 1.271 184 HD3 LYS 25 HD1 LYS 25 -14.163 -8.513 1.553 185 HE2 LYS 25 HE2 LYS 25 -13.013 -9.250 -1.151 186 HE3 LYS 25 HE1 LYS 25 -14.212 -10.197 -0.281 187 HZ1 LYS 25 HZ1 LYS 25 -15.203 -8.864 -1.972 188 HZ2 LYS 25 HZ2 LYS 25 -14.580 -7.443 -1.346 189 HZ3 LYS 25 HZ3 LYS 25 -15.735 -8.324 -0.472 190 H SER 26 HN SER 26 -9.726 -6.868 3.575 191 HA SER 26 HA SER 26 -10.188 -5.557 5.939 192 HB2 SER 26 HB2 SER 26 -7.983 -7.217 4.829 193 HB3 SER 26 HB1 SER 26 -8.203 -6.861 6.522 194 HG SER 26 HG SER 26 -10.142 -7.989 6.477 195 H PHE 27 HN PHE 27 -7.531 -5.523 3.640 196 HA PHE 27 HA PHE 27 -5.716 -3.880 4.864 197 HB2 PHE 27 HB2 PHE 27 -5.312 -5.286 2.921 198 HB3 PHE 27 HB1 PHE 27 -6.317 -4.236 1.948 199 HD1 PHE 27 HD1 PHE 27 -5.422 -1.963 1.322 200 HD2 PHE 27 HD2 PHE 27 -3.047 -4.811 3.405 201 HE1 PHE 27 HE1 PHE 27 -3.394 -0.704 0.730 202 HE2 PHE 27 HE2 PHE 27 -1.018 -3.553 2.827 203 HZ PHE 27 HZ PHE 27 -1.188 -1.496 1.486 204 H LYS 28 HN LYS 28 -8.260 -2.870 2.537 205 HA LYS 28 HA LYS 28 -7.633 -0.131 2.475 206 HB2 LYS 28 HB2 LYS 28 -10.354 -1.420 2.102 207 HB3 LYS 28 HB1 LYS 28 -9.953 0.226 1.647 208 HG2 LYS 28 HG2 LYS 28 -8.376 -0.605 -0.019 209 HG3 LYS 28 HG1 LYS 28 -8.711 -2.262 0.479 210 HD2 LYS 28 HD2 LYS 28 -11.110 -1.891 -0.160 211 HD3 LYS 28 HD1 LYS 28 -10.639 -0.323 -0.818 212 HE2 LYS 28 HE2 LYS 28 -9.051 -1.461 -2.329 213 HE3 LYS 28 HE1 LYS 28 -9.585 -3.010 -1.687 214 HZ1 LYS 28 HZ1 LYS 28 -10.659 -2.573 -3.764 215 HZ2 LYS 28 HZ2 LYS 28 -11.178 -1.076 -3.271 216 HZ3 LYS 28 HZ3 LYS 28 -11.841 -2.474 -2.565 217 H SER 29 HN SER 29 -9.939 -1.914 4.523 218 HA SER 29 HA SER 29 -11.035 0.154 5.929 219 HB2 SER 29 HB2 SER 29 -10.497 -2.691 6.259 220 HB3 SER 29 HB1 SER 29 -11.397 -1.852 7.491 221 HG SER 29 HG SER 29 -12.696 -1.148 5.503 222 H LEU 30 HN LEU 30 -8.420 -2.016 6.714 223 HA LEU 30 HA LEU 30 -7.765 -1.036 9.244 224 HB2 LEU 30 HB2 LEU 30 -6.119 -2.448 7.201 225 HB3 LEU 30 HB1 LEU 30 -5.523 -2.121 8.812 226 HG LEU 30 HG LEU 30 -8.015 -3.719 8.212 227 HD11 LEU 30 HD11 LEU 30 -6.044 -4.833 7.322 228 HD12 LEU 30 HD12 LEU 30 -6.627 -5.687 8.753 229 HD13 LEU 30 HD13 LEU 30 -5.211 -4.636 8.861 230 HD21 LEU 30 HD21 LEU 30 -6.388 -3.396 10.737 231 HD22 LEU 30 HD22 LEU 30 -7.768 -4.475 10.540 232 HD23 LEU 30 HD23 LEU 30 -7.998 -2.730 10.447 233 H LEU 31 HN LEU 31 -6.579 0.016 6.076 234 HA LEU 31 HA LEU 31 -4.678 1.769 7.320 235 HB2 LEU 31 HB2 LEU 31 -3.950 2.337 5.136 236 HB3 LEU 31 HB1 LEU 31 -4.468 0.673 5.034 237 HG LEU 31 HG LEU 31 -6.687 1.722 4.109 238 HD11 LEU 31 HD11 LEU 31 -4.651 3.840 3.466 239 HD12 LEU 31 HD12 LEU 31 -6.050 4.031 4.516 240 HD13 LEU 31 HD13 LEU 31 -6.278 3.730 2.787 241 HD21 LEU 31 HD21 LEU 31 -5.224 0.203 2.890 242 HD22 LEU 31 HD22 LEU 31 -4.139 1.538 2.509 243 HD23 LEU 31 HD23 LEU 31 -5.774 1.516 1.847 244 H TRP 32 HN TRP 32 -7.975 1.910 6.716 245 HA TRP 32 HA TRP 32 -8.053 4.767 6.615 246 HB2 TRP 32 HB2 TRP 32 -9.734 2.807 5.789 247 HB3 TRP 32 HB1 TRP 32 -10.545 3.344 7.255 248 HD1 TRP 32 HD1 TRP 32 -11.965 5.519 7.013 249 HE1 TRP 32 HE1 TRP 32 -12.215 7.295 5.163 250 HE3 TRP 32 HE3 TRP 32 -8.235 3.985 4.010 251 HZ2 TRP 32 HZ2 TRP 32 -10.970 7.939 2.714 252 HZ3 TRP 32 HZ3 TRP 32 -7.785 5.225 1.887 253 HH2 TRP 32 HH2 TRP 32 -9.136 7.163 1.275 254 H ALA 33 HN ALA 33 -7.719 2.398 8.932 255 HA ALA 33 HA ALA 33 -9.242 3.616 11.052 256 HB1 ALA 33 HB1 ALA 33 -8.526 1.743 12.417 257 HB2 ALA 33 HB2 ALA 33 -7.409 1.225 11.156 258 HB3 ALA 33 HB3 ALA 33 -9.147 1.178 10.867 259 H PHE 34 HN PHE 34 -5.920 3.740 9.925 260 HA PHE 34 HA PHE 34 -5.046 4.741 12.475 261 HB2 PHE 34 HB2 PHE 34 -2.828 4.860 11.542 262 HB3 PHE 34 HB1 PHE 34 -3.517 3.384 10.929 263 HD1 PHE 34 HD2 PHE 34 -2.852 6.956 9.981 264 HD2 PHE 34 HD1 PHE 34 -3.412 2.943 8.653 265 HE1 PHE 34 HE2 PHE 34 -2.195 7.618 7.721 266 HE2 PHE 34 HE1 PHE 34 -2.743 3.620 6.373 267 HZ PHE 34 HZ PHE 34 -2.159 5.975 5.912 268 HA PRO 35 HA PRO 35 -6.016 8.973 11.629 269 HB2 PRO 35 HB2 PRO 35 -3.741 10.248 12.581 270 HB3 PRO 35 HB1 PRO 35 -5.081 9.731 13.605 271 HG2 PRO 35 HG2 PRO 35 -2.454 8.407 13.115 272 HG3 PRO 35 HG1 PRO 35 -3.402 8.512 14.607 273 HD2 PRO 35 HD2 PRO 35 -3.319 6.285 13.093 274 HD3 PRO 35 HD1 PRO 35 -4.764 6.747 14.013 275 H LEU 36 HN LEU 36 -6.037 9.233 9.537 276 HA LEU 36 HA LEU 36 -3.911 8.794 7.780 277 HB2 LEU 36 HB2 LEU 36 -6.380 10.466 7.347 278 HB3 LEU 36 HB1 LEU 36 -5.321 9.900 6.076 279 HG LEU 36 HG LEU 36 -7.097 8.210 7.833 280 HD11 LEU 36 HD11 LEU 36 -8.245 9.389 6.037 281 HD12 LEU 36 HD12 LEU 36 -8.172 7.640 5.744 282 HD13 LEU 36 HD13 LEU 36 -7.072 8.723 4.890 283 HD21 LEU 36 HD21 LEU 36 -5.041 7.032 7.458 284 HD22 LEU 36 HD22 LEU 36 -5.121 7.379 5.728 285 HD23 LEU 36 HD23 LEU 36 -6.326 6.322 6.478 286 H GLU 37 HN GLU 37 -5.287 11.829 8.930 287 HA GLU 37 HA GLU 37 -4.439 13.888 9.261 288 HB2 GLU 37 HB2 GLU 37 -1.657 12.731 9.092 289 HB3 GLU 37 HB1 GLU 37 -2.193 14.118 10.021 290 HG2 GLU 37 HG2 GLU 37 -3.611 12.363 11.370 291 HG3 GLU 37 HG1 GLU 37 -2.619 11.222 10.532 292 H ASP 38 HN ASP 38 -2.587 15.410 8.416 293 HA ASP 38 HA ASP 38 -2.067 16.840 6.741 294 HB2 ASP 38 HB2 ASP 38 -0.094 15.354 7.116 295 HB3 ASP 38 HB1 ASP 38 -0.560 14.416 5.713 296 H VAL 39 HN VAL 39 -1.696 14.397 4.325 297 HA VAL 39 HA VAL 39 -3.875 15.613 2.777 298 HB VAL 39 HB VAL 39 -1.559 16.111 1.967 299 HG11 VAL 39 HG11 VAL 39 -0.416 14.160 2.663 300 HG12 VAL 39 HG12 VAL 39 -0.211 14.391 0.926 301 HG13 VAL 39 HG13 VAL 39 -1.331 13.169 1.526 302 HG21 VAL 39 HG21 VAL 39 -3.361 16.146 0.335 303 HG22 VAL 39 HG22 VAL 39 -3.187 14.412 0.077 304 HG23 VAL 39 HG23 VAL 39 -1.891 15.506 -0.403 305 H LEU 40 HN LEU 40 -3.257 13.004 4.527 306 HA LEU 40 HA LEU 40 -3.897 11.016 2.548 307 HB2 LEU 40 HB2 LEU 40 -3.601 10.708 5.522 308 HB3 LEU 40 HB1 LEU 40 -3.721 9.396 4.361 309 HG LEU 40 HG LEU 40 -1.451 11.322 4.774 310 HD11 LEU 40 HD11 LEU 40 -0.178 9.302 5.189 311 HD12 LEU 40 HD12 LEU 40 -1.634 8.338 4.931 312 HD13 LEU 40 HD13 LEU 40 -1.547 9.456 6.291 313 HD21 LEU 40 HD21 LEU 40 -1.774 9.296 2.571 314 HD22 LEU 40 HD22 LEU 40 -0.304 10.192 2.944 315 HD23 LEU 40 HD23 LEU 40 -1.737 11.052 2.378 316 H GLN 41 HN GLN 41 -5.511 13.044 4.700 317 HA GLN 41 HA GLN 41 -7.974 11.600 4.851 318 HB2 GLN 41 HB2 GLN 41 -7.364 14.544 5.167 319 HB3 GLN 41 HB1 GLN 41 -8.956 13.858 5.428 320 HG2 GLN 41 HG2 GLN 41 -6.482 13.075 6.937 321 HG3 GLN 41 HG1 GLN 41 -7.643 14.274 7.495 322 HE21 GLN 41 HE21 GLN 41 -9.953 12.670 6.453 323 HE22 GLN 41 HE22 GLN 41 -10.100 11.373 7.566 324 H LYS 42 HN LYS 42 -6.381 13.305 2.395 325 HA LYS 42 HA LYS 42 -8.619 14.209 0.876 326 HB2 LYS 42 HB2 LYS 42 -6.398 15.194 0.597 327 HB3 LYS 42 HB1 LYS 42 -5.766 13.648 0.059 328 HG2 LYS 42 HG2 LYS 42 -7.429 13.767 -1.837 329 HG3 LYS 42 HG1 LYS 42 -7.720 15.435 -1.347 330 HD2 LYS 42 HD2 LYS 42 -5.364 15.948 -1.692 331 HD3 LYS 42 HD1 LYS 42 -5.061 14.275 -2.156 332 HE2 LYS 42 HE2 LYS 42 -6.822 16.257 -3.601 333 HE3 LYS 42 HE1 LYS 42 -5.262 15.618 -4.146 334 HZ1 LYS 42 HZ1 LYS 42 -6.321 13.406 -4.266 335 HZ2 LYS 42 HZ2 LYS 42 -7.010 14.529 -5.282 336 HZ3 LYS 42 HZ3 LYS 42 -7.815 14.126 -3.871 337 H THR 43 HN THR 43 -6.816 11.249 1.160 338 HA THR 43 HA THR 43 -6.957 10.016 -1.210 339 HB THR 43 HB THR 43 -7.448 8.601 1.411 340 HG1 THR 43 HG1 THR 43 -5.661 9.448 1.942 341 HG21 THR 43 HG21 THR 43 -7.570 7.182 -0.613 342 HG22 THR 43 HG22 THR 43 -6.139 6.809 0.349 343 HG23 THR 43 HG23 THR 43 -5.986 7.780 -1.115 344 HA PRO 44 HA PRO 44 -11.460 9.810 -1.809 345 HB2 PRO 44 HB2 PRO 44 -11.254 8.858 -4.361 346 HB3 PRO 44 HB1 PRO 44 -11.143 10.576 -3.950 347 HG2 PRO 44 HG2 PRO 44 -8.920 8.585 -4.335 348 HG3 PRO 44 HG1 PRO 44 -9.054 10.192 -5.059 349 HD2 PRO 44 HD2 PRO 44 -7.512 9.941 -3.001 350 HD3 PRO 44 HD1 PRO 44 -8.660 11.254 -3.010 351 H TRP 45 HN TRP 45 -12.080 8.109 -0.516 352 HA TRP 45 HA TRP 45 -11.312 5.411 -0.863 353 HB2 TRP 45 HB2 TRP 45 -12.377 6.163 1.238 354 HB3 TRP 45 HB1 TRP 45 -13.860 6.542 0.373 355 HD1 TRP 45 HD1 TRP 45 -15.252 4.382 -0.603 356 HE1 TRP 45 HE1 TRP 45 -15.475 2.009 0.258 357 HE3 TRP 45 HE3 TRP 45 -11.214 4.287 2.513 358 HZ2 TRP 45 HZ2 TRP 45 -14.150 0.290 2.036 359 HZ3 TRP 45 HZ3 TRP 45 -10.764 2.219 3.768 360 HH2 TRP 45 HH2 TRP 45 -12.200 0.263 3.538 361 H SER 46 HN SER 46 -13.749 7.366 -2.420 362 HA SER 46 HA SER 46 -15.251 5.347 -3.613 363 HB2 SER 46 HB2 SER 46 -14.609 8.080 -4.704 364 HB3 SER 46 HB1 SER 46 -16.007 7.073 -5.126 365 HG SER 46 HG SER 46 -16.684 8.505 -3.637 366 H GLU 47 HN GLU 47 -12.118 6.640 -4.422 367 HA GLU 47 HA GLU 47 -11.959 5.325 -6.978 368 HB2 GLU 47 HB2 GLU 47 -9.902 6.661 -5.224 369 HB3 GLU 47 HB1 GLU 47 -9.512 5.913 -6.761 370 HG2 GLU 47 HG2 GLU 47 -11.459 8.170 -6.401 371 HG3 GLU 47 HG1 GLU 47 -9.770 8.363 -6.870 372 H VAL 48 HN VAL 48 -10.811 4.835 -3.677 373 HA VAL 48 HA VAL 48 -9.197 2.614 -4.258 374 HB VAL 48 HB VAL 48 -8.792 2.321 -1.979 375 HG11 VAL 48 HG11 VAL 48 -8.496 4.469 -0.938 376 HG12 VAL 48 HG12 VAL 48 -9.429 5.189 -2.252 377 HG13 VAL 48 HG13 VAL 48 -7.911 4.353 -2.598 378 HG21 VAL 48 HG21 VAL 48 -10.234 3.150 -0.122 379 HG22 VAL 48 HG22 VAL 48 -10.930 1.857 -1.086 380 HG23 VAL 48 HG23 VAL 48 -11.478 3.509 -1.330 381 H GLU 49 HN GLU 49 -12.602 2.938 -3.565 382 HA GLU 49 HA GLU 49 -13.335 0.391 -2.859 383 HB2 GLU 49 HB2 GLU 49 -14.584 2.771 -3.899 384 HB3 GLU 49 HB1 GLU 49 -15.401 1.306 -4.457 385 HG2 GLU 49 HG2 GLU 49 -15.531 0.666 -2.087 386 HG3 GLU 49 HG1 GLU 49 -14.839 2.234 -1.664 387 H GLU 50 HN GLU 50 -13.111 1.779 -6.120 388 HA GLU 50 HA GLU 50 -13.823 -0.798 -7.175 389 HB2 GLU 50 HB2 GLU 50 -13.368 1.820 -8.588 390 HB3 GLU 50 HB1 GLU 50 -13.953 0.342 -9.336 391 HG2 GLU 50 HG2 GLU 50 -15.919 0.402 -7.839 392 HG3 GLU 50 HG1 GLU 50 -15.337 1.932 -7.184 393 H ALA 51 HN ALA 51 -11.112 0.441 -6.159 394 HA ALA 51 HA ALA 51 -9.332 -0.409 -8.350 395 HB1 ALA 51 HB1 ALA 51 -7.587 0.634 -7.047 396 HB2 ALA 51 HB2 ALA 51 -8.751 0.996 -5.770 397 HB3 ALA 51 HB3 ALA 51 -8.909 1.756 -7.353 398 H ASP 52 HN ASP 52 -8.209 -2.117 -8.300 399 HA ASP 52 HA ASP 52 -8.010 -3.595 -5.798 400 HB2 ASP 52 HB2 ASP 52 -8.154 -5.678 -7.017 401 HB3 ASP 52 HB1 ASP 52 -9.586 -4.723 -7.358 402 H GLY 53 HN GLY 53 -6.102 -4.596 -5.428 403 HA2 GLY 53 HA2 GLY 53 -3.832 -4.883 -5.410 404 HA3 GLY 53 HA1 GLY 53 -4.109 -5.295 -7.081 405 H LYS 54 HN LYS 54 -3.284 -4.137 -8.597 406 HA LYS 54 HA LYS 54 -1.173 -2.327 -8.198 407 HB2 LYS 54 HB2 LYS 54 -1.580 -3.807 -10.178 408 HB3 LYS 54 HB1 LYS 54 -2.822 -2.678 -10.684 409 HG2 LYS 54 HG2 LYS 54 -0.430 -1.215 -10.192 410 HG3 LYS 54 HG1 LYS 54 -0.038 -2.590 -11.204 411 HD2 LYS 54 HD2 LYS 54 -0.650 -1.250 -12.876 412 HD3 LYS 54 HD1 LYS 54 -2.298 -1.663 -12.408 413 HE2 LYS 54 HE2 LYS 54 -2.237 0.703 -12.535 414 HE3 LYS 54 HE1 LYS 54 -2.171 0.270 -10.824 415 HZ1 LYS 54 HZ1 LYS 54 -0.619 2.029 -11.503 416 HZ2 LYS 54 HZ2 LYS 54 0.227 0.931 -12.443 417 HZ3 LYS 54 HZ3 LYS 54 0.206 0.742 -10.770 418 H LYS 55 HN LYS 55 -4.569 -1.821 -8.920 419 HA LYS 55 HA LYS 55 -4.146 0.849 -9.494 420 HB2 LYS 55 HB2 LYS 55 -6.553 -0.776 -9.100 421 HB3 LYS 55 HB1 LYS 55 -6.753 0.956 -8.896 422 HG2 LYS 55 HG2 LYS 55 -5.742 -0.502 -11.308 423 HG3 LYS 55 HG1 LYS 55 -7.304 0.308 -11.121 424 HD2 LYS 55 HD2 LYS 55 -4.544 1.627 -11.212 425 HD3 LYS 55 HD1 LYS 55 -5.791 1.708 -12.433 426 HE2 LYS 55 HE2 LYS 55 -6.245 2.762 -9.641 427 HE3 LYS 55 HE1 LYS 55 -5.521 3.741 -10.902 428 HZ1 LYS 55 HZ1 LYS 55 -8.244 2.514 -11.028 429 HZ2 LYS 55 HZ2 LYS 55 -7.545 3.497 -12.204 430 HZ3 LYS 55 HZ3 LYS 55 -7.881 4.112 -10.702 431 H LEU 56 HN LEU 56 -4.936 -0.861 -6.584 432 HA LEU 56 HA LEU 56 -5.672 1.377 -5.075 433 HB2 LEU 56 HB2 LEU 56 -6.133 -0.952 -4.375 434 HB3 LEU 56 HB1 LEU 56 -4.423 -1.183 -4.080 435 HG LEU 56 HG LEU 56 -4.513 0.585 -2.339 436 HD11 LEU 56 HD11 LEU 56 -7.476 0.484 -2.835 437 HD12 LEU 56 HD12 LEU 56 -6.403 1.862 -3.117 438 HD13 LEU 56 HD13 LEU 56 -6.692 1.289 -1.479 439 HD21 LEU 56 HD21 LEU 56 -6.424 -1.703 -1.967 440 HD22 LEU 56 HD22 LEU 56 -5.702 -0.747 -0.673 441 HD23 LEU 56 HD23 LEU 56 -4.680 -1.744 -1.712 442 H ALA 57 HN ALA 57 -2.619 -0.241 -5.689 443 HA ALA 57 HA ALA 57 -0.864 1.174 -4.032 444 HB1 ALA 57 HB1 ALA 57 -0.365 0.088 -6.809 445 HB2 ALA 57 HB2 ALA 57 -0.165 -0.813 -5.311 446 HB3 ALA 57 HB3 ALA 57 0.878 0.560 -5.664 447 H GLU 58 HN GLU 58 -2.189 1.922 -7.151 448 HA GLU 58 HA GLU 58 -0.545 4.163 -7.709 449 HB2 GLU 58 HB2 GLU 58 -1.599 2.703 -9.393 450 HB3 GLU 58 HB1 GLU 58 -3.173 3.312 -8.909 451 HG2 GLU 58 HG2 GLU 58 -2.689 5.456 -9.768 452 HG3 GLU 58 HG1 GLU 58 -0.983 5.049 -9.993 453 H ILE 59 HN ILE 59 -3.517 3.679 -5.989 454 HA ILE 59 HA ILE 59 -4.137 6.484 -5.890 455 HB ILE 59 HB ILE 59 -5.357 4.126 -4.413 456 HG12 ILE 59 HG12 ILE 59 -6.576 5.685 -6.644 457 HG13 ILE 59 HG11 ILE 59 -5.456 4.361 -6.994 458 HG21 ILE 59 HG21 ILE 59 -5.748 6.254 -3.214 459 HG22 ILE 59 HG22 ILE 59 -7.242 5.698 -3.981 460 HG23 ILE 59 HG23 ILE 59 -6.303 6.993 -4.716 461 HD11 ILE 59 HD11 ILE 59 -7.750 3.687 -7.118 462 HD12 ILE 59 HD12 ILE 59 -8.018 4.195 -5.435 463 HD13 ILE 59 HD13 ILE 59 -6.895 2.876 -5.824 464 H LEU 60 HN LEU 60 -2.640 4.019 -3.858 465 HA LEU 60 HA LEU 60 -2.285 5.523 -1.536 466 HB2 LEU 60 HB2 LEU 60 -0.799 3.226 -2.727 467 HB3 LEU 60 HB1 LEU 60 0.035 4.158 -1.510 468 HG LEU 60 HG LEU 60 -0.915 2.201 -0.514 469 HD11 LEU 60 HD11 LEU 60 -2.444 4.634 0.349 470 HD12 LEU 60 HD12 LEU 60 -0.831 4.150 0.870 471 HD13 LEU 60 HD13 LEU 60 -2.224 3.152 1.279 472 HD21 LEU 60 HD21 LEU 60 -2.728 1.742 -2.051 473 HD22 LEU 60 HD22 LEU 60 -3.609 3.159 -1.478 474 HD23 LEU 60 HD23 LEU 60 -3.325 1.792 -0.395 475 H VAL 61 HN VAL 61 -0.190 5.325 -4.401 476 HA VAL 61 HA VAL 61 1.654 7.270 -3.388 477 HB VAL 61 HB VAL 61 2.692 7.307 -5.589 478 HG11 VAL 61 HG11 VAL 61 3.302 5.471 -4.171 479 HG12 VAL 61 HG12 VAL 61 3.261 4.936 -5.852 480 HG13 VAL 61 HG13 VAL 61 1.939 4.521 -4.761 481 HG21 VAL 61 HG21 VAL 61 0.715 7.297 -7.000 482 HG22 VAL 61 HG22 VAL 61 0.358 5.641 -6.516 483 HG23 VAL 61 HG23 VAL 61 1.803 5.985 -7.473 484 H ASN 62 HN ASN 62 -1.441 7.715 -4.377 485 HA ASN 62 HA ASN 62 -1.019 10.135 -5.888 486 HB2 ASN 62 HB2 ASN 62 -2.922 8.542 -6.367 487 HB3 ASN 62 HB1 ASN 62 -3.648 9.013 -4.842 488 HD21 ASN 62 HD21 ASN 62 -5.478 9.766 -5.865 489 HD22 ASN 62 HD22 ASN 62 -5.509 11.234 -6.750 490 H THR 63 HN THR 63 -1.754 9.195 -2.599 491 HA THR 63 HA THR 63 -1.775 12.050 -1.815 492 HB THR 63 HB THR 63 -3.001 11.223 0.235 493 HG1 THR 63 HG1 THR 63 -4.085 9.221 -0.019 494 HG21 THR 63 HG21 THR 63 -5.185 11.166 -0.876 495 HG22 THR 63 HG22 THR 63 -4.393 10.874 -2.424 496 HG23 THR 63 HG23 THR 63 -4.149 12.406 -1.583 497 H SER 64 HN SER 64 -0.553 8.821 -1.085 498 HA SER 64 HA SER 64 0.881 9.851 1.197 499 HB2 SER 64 HB2 SER 64 0.835 7.068 0.027 500 HB3 SER 64 HB1 SER 64 1.416 7.542 1.623 501 HG SER 64 HG SER 64 -1.230 8.029 0.791 502 H SER 65 HN SER 65 3.002 10.252 1.187 503 HA SER 65 HA SER 65 4.532 10.469 -1.132 504 HB2 SER 65 HB2 SER 65 5.075 11.662 0.956 505 HB3 SER 65 HB1 SER 65 5.401 10.121 1.751 506 HG SER 65 HG SER 65 6.896 11.568 -0.066 507 H GLU 66 HN GLU 66 5.571 8.969 -2.250 508 HA GLU 66 HA GLU 66 5.225 6.248 -2.061 509 HB2 GLU 66 HB2 GLU 66 7.023 6.100 -3.710 510 HB3 GLU 66 HB1 GLU 66 5.980 7.459 -4.061 511 HG2 GLU 66 HG2 GLU 66 7.642 8.928 -2.883 512 HG3 GLU 66 HG1 GLU 66 8.705 7.529 -2.824 513 H ASN 67 HN ASN 67 7.697 8.199 -0.610 514 HA ASN 67 HA ASN 67 9.401 6.096 0.306 515 HB2 ASN 67 HB2 ASN 67 10.167 8.399 -0.064 516 HB3 ASN 67 HB1 ASN 67 9.083 8.958 1.193 517 HD21 ASN 67 HD21 ASN 67 10.591 9.771 2.507 518 HD22 ASN 67 HD22 ASN 67 11.775 8.827 3.331 519 H TRP 68 HN TRP 68 6.634 7.801 1.577 520 HA TRP 68 HA TRP 68 6.977 6.885 4.277 521 HB2 TRP 68 HB2 TRP 68 5.939 9.066 3.772 522 HB3 TRP 68 HB1 TRP 68 4.626 8.246 2.936 523 HD1 TRP 68 HD1 TRP 68 5.977 8.944 6.447 524 HE1 TRP 68 HE1 TRP 68 4.115 8.454 8.150 525 HE3 TRP 68 HE3 TRP 68 2.511 6.894 3.310 526 HZ2 TRP 68 HZ2 TRP 68 1.525 7.352 8.165 527 HZ3 TRP 68 HZ3 TRP 68 0.368 6.154 4.250 528 HH2 TRP 68 HH2 TRP 68 -0.106 6.376 6.632 529 H ILE 69 HN ILE 69 5.311 5.874 1.412 530 HA ILE 69 HA ILE 69 3.382 4.204 2.593 531 HB ILE 69 HB ILE 69 4.592 3.850 -0.182 532 HG12 ILE 69 HG12 ILE 69 2.145 5.396 0.653 533 HG13 ILE 69 HG11 ILE 69 3.693 6.134 0.260 534 HG21 ILE 69 HG21 ILE 69 1.889 3.048 0.948 535 HG22 ILE 69 HG22 ILE 69 3.222 1.940 0.676 536 HG23 ILE 69 HG23 ILE 69 2.453 2.745 -0.697 537 HD11 ILE 69 HD11 ILE 69 1.986 4.505 -1.599 538 HD12 ILE 69 HD12 ILE 69 3.532 5.229 -2.002 539 HD13 ILE 69 HD13 ILE 69 2.153 6.262 -1.604 540 H ARG 70 HN ARG 70 6.779 3.780 2.124 541 HA ARG 70 HA ARG 70 6.849 0.962 2.018 542 HB2 ARG 70 HB2 ARG 70 9.194 1.082 2.243 543 HB3 ARG 70 HB1 ARG 70 8.782 2.604 1.479 544 HG2 ARG 70 HG2 ARG 70 8.942 3.723 3.628 545 HG3 ARG 70 HG1 ARG 70 9.382 2.199 4.406 546 HD2 ARG 70 HD2 ARG 70 11.309 2.141 2.701 547 HD3 ARG 70 HD1 ARG 70 10.925 3.837 2.413 548 HE ARG 70 HE ARG 70 11.425 2.951 5.146 549 HH11 ARG 70 HH11 ARG 70 12.352 5.085 2.495 550 HH12 ARG 70 HH12 ARG 70 13.796 5.619 3.202 551 HH21 ARG 70 HH21 ARG 70 13.372 3.739 6.183 552 HH22 ARG 70 HH22 ARG 70 14.368 4.884 5.412 553 H ASN 71 HN ASN 71 6.385 3.159 4.639 554 HA ASN 71 HA ASN 71 6.679 1.002 6.582 555 HB2 ASN 71 HB2 ASN 71 7.527 3.200 7.266 556 HB3 ASN 71 HB1 ASN 71 5.953 3.922 6.966 557 HD21 ASN 71 HD21 ASN 71 4.386 3.797 8.556 558 HD22 ASN 71 HD22 ASN 71 4.660 3.038 10.076 559 H ALA 72 HN ALA 72 4.293 2.997 5.061 560 HA ALA 72 HA ALA 72 2.045 2.495 6.598 561 HB1 ALA 72 HB1 ALA 72 2.207 4.222 4.858 562 HB2 ALA 72 HB2 ALA 72 0.741 3.252 4.738 563 HB3 ALA 72 HB3 ALA 72 2.083 2.957 3.633 564 H THR 73 HN THR 73 2.818 0.868 3.488 565 HA THR 73 HA THR 73 0.610 -0.880 3.741 566 HB THR 73 HB THR 73 1.605 -0.347 1.511 567 HG1 THR 73 HG1 THR 73 1.123 -2.937 2.388 568 HG21 THR 73 HG21 THR 73 3.984 -0.411 2.108 569 HG22 THR 73 HG22 THR 73 3.647 -1.509 0.767 570 HG23 THR 73 HG23 THR 73 3.870 -2.148 2.392 571 H VAL 74 HN VAL 74 3.936 -1.145 4.692 572 HA VAL 74 HA VAL 74 4.002 -3.887 5.211 573 HB VAL 74 HB VAL 74 5.625 -1.573 6.303 574 HG11 VAL 74 HG11 VAL 74 6.120 -4.522 6.724 575 HG12 VAL 74 HG12 VAL 74 5.613 -3.389 7.970 576 HG13 VAL 74 HG13 VAL 74 7.195 -3.209 7.208 577 HG21 VAL 74 HG21 VAL 74 5.915 -2.089 3.948 578 HG22 VAL 74 HG22 VAL 74 6.242 -3.774 4.342 579 HG23 VAL 74 HG23 VAL 74 7.361 -2.518 4.860 580 H ASN 75 HN ASN 75 3.207 -1.136 7.288 581 HA ASN 75 HA ASN 75 2.817 -2.605 9.693 582 HB2 ASN 75 HB2 ASN 75 3.031 -0.054 9.405 583 HB3 ASN 75 HB1 ASN 75 1.352 -0.069 8.906 584 HD21 ASN 75 HD21 ASN 75 0.722 -2.221 11.041 585 HD22 ASN 75 HD22 ASN 75 0.706 -1.302 12.490 586 H ILE 76 HN ILE 76 0.584 -1.764 7.054 587 HA ILE 76 HA ILE 76 -1.745 -2.815 8.340 588 HB ILE 76 HB ILE 76 -1.307 -2.654 5.338 589 HG12 ILE 76 HG12 ILE 76 -0.840 -0.466 6.359 590 HG13 ILE 76 HG11 ILE 76 -2.319 -0.411 5.406 591 HG21 ILE 76 HG21 ILE 76 -3.756 -2.439 5.246 592 HG22 ILE 76 HG22 ILE 76 -3.832 -2.619 7.000 593 HG23 ILE 76 HG23 ILE 76 -3.260 -3.953 6.001 594 HD11 ILE 76 HD11 ILE 76 -2.100 -0.562 8.406 595 HD12 ILE 76 HD12 ILE 76 -3.611 -0.546 7.480 596 HD13 ILE 76 HD13 ILE 76 -2.530 0.847 7.433 597 H LEU 77 HN LEU 77 0.575 -4.237 6.085 598 HA LEU 77 HA LEU 77 -0.558 -6.792 5.874 599 HB2 LEU 77 HB2 LEU 77 2.262 -5.775 5.722 600 HB3 LEU 77 HB1 LEU 77 1.913 -7.488 5.606 601 HG LEU 77 HG LEU 77 0.366 -5.789 3.761 602 HD11 LEU 77 HD11 LEU 77 2.581 -4.690 3.629 603 HD12 LEU 77 HD12 LEU 77 2.295 -5.653 2.180 604 HD13 LEU 77 HD13 LEU 77 3.355 -6.264 3.451 605 HD21 LEU 77 HD21 LEU 77 0.909 -7.612 2.252 606 HD22 LEU 77 HD22 LEU 77 0.219 -8.183 3.775 607 HD23 LEU 77 HD23 LEU 77 1.952 -8.319 3.487 608 H GLU 78 HN GLU 78 1.662 -5.452 8.239 609 HA GLU 78 HA GLU 78 2.027 -7.749 9.807 610 HB2 GLU 78 HB2 GLU 78 2.244 -4.814 10.426 611 HB3 GLU 78 HB1 GLU 78 2.775 -6.005 11.579 612 HG2 GLU 78 HG2 GLU 78 4.371 -6.859 9.865 613 HG3 GLU 78 HG1 GLU 78 3.835 -5.571 8.791 614 H GLU 79 HN GLU 79 -0.397 -5.195 9.920 615 HA GLU 79 HA GLU 79 -1.796 -5.919 12.260 616 HB2 GLU 79 HB2 GLU 79 -2.807 -4.729 9.710 617 HB3 GLU 79 HB1 GLU 79 -3.744 -4.734 11.184 618 HG2 GLU 79 HG2 GLU 79 -1.138 -3.284 10.729 619 HG3 GLU 79 HG1 GLU 79 -2.739 -2.557 10.713 620 H MET 80 HN MET 80 -1.880 -7.137 8.999 621 HA MET 80 HA MET 80 -4.254 -8.772 9.443 622 HB2 MET 80 HB2 MET 80 -2.505 -8.454 6.999 623 HB3 MET 80 HB1 MET 80 -3.949 -9.445 7.075 624 HG2 MET 80 HG2 MET 80 -5.300 -7.472 7.495 625 HG3 MET 80 HG1 MET 80 -3.853 -6.470 7.486 626 HE1 MET 80 HE1 MET 80 -6.294 -8.679 5.336 627 HE2 MET 80 HE2 MET 80 -4.757 -9.503 5.090 628 HE3 MET 80 HE3 MET 80 -5.522 -8.644 3.755 629 H ASN 81 HN ASN 81 -1.168 -9.155 10.323 630 HA ASN 81 HA ASN 81 0.172 -10.887 10.939 631 HB2 ASN 81 HB2 ASN 81 -1.979 -11.875 11.842 632 HB3 ASN 81 HB1 ASN 81 -2.202 -12.696 10.309 633 HD21 ASN 81 HD21 ASN 81 -2.187 -14.734 11.278 634 HD22 ASN 81 HD22 ASN 81 -0.747 -15.441 11.914 635 H LEU 82 HN LEU 82 -0.183 -10.000 8.141 636 HA LEU 82 HA LEU 82 0.492 -12.306 6.536 637 HB2 LEU 82 HB2 LEU 82 0.197 -9.370 5.913 638 HB3 LEU 82 HB1 LEU 82 0.773 -10.526 4.736 639 HG LEU 82 HG LEU 82 -1.952 -10.726 6.044 640 HD11 LEU 82 HD11 LEU 82 -1.189 -9.625 3.329 641 HD12 LEU 82 HD12 LEU 82 -1.764 -8.656 4.690 642 HD13 LEU 82 HD13 LEU 82 -2.822 -9.847 3.940 643 HD21 LEU 82 HD21 LEU 82 -0.765 -11.931 3.596 644 HD22 LEU 82 HD22 LEU 82 -2.379 -12.257 4.248 645 HD23 LEU 82 HD23 LEU 82 -0.926 -12.770 5.136 646 H THR 83 HN THR 83 2.423 -13.002 7.323 647 HA THR 83 HA THR 83 4.664 -11.203 7.647 648 HB THR 83 HB THR 83 5.800 -13.532 7.856 649 HG1 THR 83 HG1 THR 83 3.574 -14.709 8.756 650 HG21 THR 83 HG21 THR 83 5.054 -13.706 10.208 651 HG22 THR 83 HG22 THR 83 3.772 -12.527 9.873 652 HG23 THR 83 HG23 THR 83 5.477 -12.066 9.738 653 H GLU 84 HN GLU 84 4.163 -14.085 5.802 654 HA GLU 84 HA GLU 84 6.253 -14.380 4.252 655 HB2 GLU 84 HB2 GLU 84 4.659 -15.247 2.445 656 HB3 GLU 84 HB1 GLU 84 4.529 -15.939 4.056 657 HG2 GLU 84 HG2 GLU 84 2.627 -14.369 4.496 658 HG3 GLU 84 HG1 GLU 84 2.711 -13.879 2.813 659 H LEU 85 HN LEU 85 3.652 -12.391 2.775 660 HA LEU 85 HA LEU 85 5.600 -11.465 0.892 661 HB2 LEU 85 HB2 LEU 85 3.867 -10.270 -0.276 662 HB3 LEU 85 HB1 LEU 85 3.340 -11.892 0.074 663 HG LEU 85 HG LEU 85 2.432 -9.422 1.563 664 HD11 LEU 85 HD11 LEU 85 1.701 -9.393 -0.752 665 HD12 LEU 85 HD12 LEU 85 0.346 -9.710 0.332 666 HD13 LEU 85 HD13 LEU 85 1.066 -11.032 -0.585 667 HD21 LEU 85 HD21 LEU 85 2.218 -11.437 2.932 668 HD22 LEU 85 HD22 LEU 85 1.391 -12.263 1.609 669 HD23 LEU 85 HD23 LEU 85 0.638 -10.876 2.396 670 H CYS 86 HN CYS 86 4.496 -10.281 3.893 671 HA CYS 86 HA CYS 86 5.040 -7.501 3.441 672 HB2 CYS 86 HB2 CYS 86 3.647 -8.411 5.348 673 HB3 CYS 86 HB1 CYS 86 5.129 -9.082 5.968 674 HG CYS 86 HG CYS 86 3.965 -6.414 7.008 675 H LYS 87 HN LYS 87 6.786 -10.297 4.490 676 HA LYS 87 HA LYS 87 9.198 -9.062 5.232 677 HB2 LYS 87 HB2 LYS 87 8.594 -11.842 4.230 678 HB3 LYS 87 HB1 LYS 87 10.120 -11.344 4.956 679 HG2 LYS 87 HG2 LYS 87 9.071 -10.901 7.056 680 HG3 LYS 87 HG1 LYS 87 7.469 -11.116 6.358 681 HD2 LYS 87 HD2 LYS 87 8.188 -13.054 7.688 682 HD3 LYS 87 HD1 LYS 87 7.907 -13.469 5.999 683 HE2 LYS 87 HE2 LYS 87 10.167 -13.405 5.512 684 HE3 LYS 87 HE1 LYS 87 10.579 -12.779 7.133 685 HZ1 LYS 87 HZ1 LYS 87 11.067 -15.151 6.921 686 HZ2 LYS 87 HZ2 LYS 87 9.460 -15.457 6.480 687 HZ3 LYS 87 HZ3 LYS 87 9.818 -14.925 8.027 688 H MET 88 HN MET 88 7.762 -9.814 2.207 689 HA MET 88 HA MET 88 10.193 -9.493 0.698 690 HB2 MET 88 HB2 MET 88 7.302 -9.643 -0.163 691 HB3 MET 88 HB1 MET 88 8.637 -9.445 -1.283 692 HG2 MET 88 HG2 MET 88 8.188 -11.783 0.559 693 HG3 MET 88 HG1 MET 88 7.903 -11.755 -1.182 694 HE1 MET 88 HE1 MET 88 10.430 -10.082 -2.240 695 HE2 MET 88 HE2 MET 88 9.816 -11.551 -2.996 696 HE3 MET 88 HE3 MET 88 11.530 -11.408 -2.615 697 H ALA 89 HN ALA 89 7.423 -7.610 1.661 698 HA ALA 89 HA ALA 89 8.023 -5.325 0.114 699 HB1 ALA 89 HB1 ALA 89 5.827 -5.690 1.234 700 HB2 ALA 89 HB2 ALA 89 6.511 -4.114 1.615 701 HB3 ALA 89 HB3 ALA 89 6.605 -5.422 2.791 702 H LYS 90 HN LYS 90 8.845 -6.295 3.399 703 HA LYS 90 HA LYS 90 10.391 -4.043 4.103 704 HB2 LYS 90 HB2 LYS 90 10.540 -6.904 5.077 705 HB3 LYS 90 HB1 LYS 90 11.396 -5.562 5.818 706 HG2 LYS 90 HG2 LYS 90 9.295 -4.507 6.401 707 HG3 LYS 90 HG1 LYS 90 8.403 -5.790 5.581 708 HD2 LYS 90 HD2 LYS 90 9.240 -7.425 7.146 709 HD3 LYS 90 HD1 LYS 90 10.247 -6.209 7.942 710 HE2 LYS 90 HE2 LYS 90 8.199 -4.966 8.553 711 HE3 LYS 90 HE1 LYS 90 7.231 -6.226 7.797 712 HZ1 LYS 90 HZ1 LYS 90 9.031 -6.630 10.126 713 HZ2 LYS 90 HZ2 LYS 90 8.012 -7.786 9.447 714 HZ3 LYS 90 HZ3 LYS 90 7.360 -6.408 10.195 715 H ALA 91 HN ALA 91 10.987 -6.606 1.984 716 HA ALA 91 HA ALA 91 13.861 -6.316 2.099 717 HB1 ALA 91 HB1 ALA 91 12.895 -8.567 2.023 718 HB2 ALA 91 HB2 ALA 91 13.953 -8.244 0.649 719 HB3 ALA 91 HB3 ALA 91 12.203 -8.195 0.445 720 H GLU 92 HN GLU 92 11.241 -5.813 -0.081 721 HA GLU 92 HA GLU 92 13.046 -4.952 -2.215 722 HB2 GLU 92 HB2 GLU 92 10.182 -5.534 -2.066 723 HB3 GLU 92 HB1 GLU 92 10.964 -5.149 -3.611 724 HG2 GLU 92 HG2 GLU 92 12.449 -7.216 -2.820 725 HG3 GLU 92 HG1 GLU 92 11.070 -7.544 -1.817 726 H MET 93 HN MET 93 10.421 -3.674 -0.187 727 HA MET 93 HA MET 93 10.115 -1.369 -1.922 728 HB2 MET 93 HB2 MET 93 8.238 -2.700 -0.639 729 HB3 MET 93 HB1 MET 93 8.721 -1.650 0.686 730 HG2 MET 93 HG2 MET 93 8.470 0.229 -1.141 731 HG3 MET 93 HG1 MET 93 7.601 -1.053 -1.913 732 HE1 MET 93 HE1 MET 93 5.859 1.170 -1.789 733 HE2 MET 93 HE2 MET 93 6.800 1.954 -0.521 734 HE3 MET 93 HE3 MET 93 5.088 1.637 -0.272 735 H MET 94 HN MET 94 12.146 -2.168 0.514 736 HA MET 94 HA MET 94 11.976 0.311 1.931 737 HB2 MET 94 HB2 MET 94 13.821 -2.031 2.235 738 HB3 MET 94 HB1 MET 94 14.002 -0.554 3.177 739 HG2 MET 94 HG2 MET 94 11.509 -2.187 3.041 740 HG3 MET 94 HG1 MET 94 12.712 -2.345 4.334 741 HE1 MET 94 HE1 MET 94 9.612 -1.793 4.891 742 HE2 MET 94 HE2 MET 94 9.706 -0.539 6.127 743 HE3 MET 94 HE3 MET 94 10.819 -1.907 6.172 744 H GLU 95 HN GLU 95 14.261 1.274 2.482 745 HA GLU 95 HA GLU 95 14.809 2.729 0.097 746 HB2 GLU 95 HB2 GLU 95 14.550 3.678 2.381 747 HB3 GLU 95 HB1 GLU 95 16.051 2.896 2.821 748 HG2 GLU 95 HG2 GLU 95 17.281 4.287 1.304 749 HG3 GLU 95 HG1 GLU 95 15.781 4.993 0.687 750 H ASP 96 HN ASP 96 16.881 3.037 -0.807 751 HA ASP 96 HA ASP 96 18.287 0.659 -1.210 752 HB2 ASP 96 HB2 ASP 96 18.966 3.486 -2.007 753 HB3 ASP 96 HB1 ASP 96 19.896 2.075 -2.515 754 H GLY 97 HN GLY 97 19.925 -0.180 -0.344 755 HA2 GLY 97 HA2 GLY 97 22.097 0.435 0.919 756 HA3 GLY 97 HA1 GLY 97 20.912 0.995 2.116 757 H GLN 98 HN GLN 98 18.979 -0.868 1.378 758 HA GLN 98 HA GLN 98 19.759 -3.178 2.932 759 HB2 GLN 98 HB2 GLN 98 17.291 -2.877 1.224 760 HB3 GLN 98 HB1 GLN 98 17.546 -3.944 2.593 761 HG2 GLN 98 HG2 GLN 98 17.382 -0.929 2.751 762 HG3 GLN 98 HG1 GLN 98 16.060 -2.026 3.113 763 HE21 GLN 98 HE21 GLN 98 17.677 -3.955 4.493 764 HE22 GLN 98 HE22 GLN 98 18.116 -3.251 5.997 Start of MODEL 13 1 H MET 3 HT1 MET 3 18.062 2.903 -1.921 2 HA MET 3 HA MET 3 15.800 2.229 -2.503 3 HB2 MET 3 HB2 MET 3 16.297 4.374 -1.283 4 HB3 MET 3 HB1 MET 3 16.229 5.197 -2.836 5 HG2 MET 3 HG2 MET 3 14.134 5.458 -1.696 6 HG3 MET 3 HG1 MET 3 13.916 4.442 -3.115 7 HE1 MET 3 HE1 MET 3 11.566 3.725 -2.141 8 HE2 MET 3 HE2 MET 3 11.835 4.685 -0.682 9 HE3 MET 3 HE3 MET 3 11.341 3.000 -0.549 10 H THR 4 HN THR 4 14.492 1.715 -4.161 11 HA THR 4 HA THR 4 15.360 2.488 -6.829 12 HB THR 4 HB THR 4 13.864 0.523 -7.397 13 HG1 THR 4 HG1 THR 4 13.978 -0.793 -5.188 14 HG21 THR 4 HG21 THR 4 16.257 0.045 -5.601 15 HG22 THR 4 HG22 THR 4 16.347 0.405 -7.323 16 HG23 THR 4 HG23 THR 4 15.600 -1.096 -6.774 17 H SER 5 HN SER 5 14.024 3.247 -8.374 18 HA SER 5 HA SER 5 11.558 4.386 -7.396 19 HB2 SER 5 HB2 SER 5 13.239 5.897 -8.485 20 HB3 SER 5 HB1 SER 5 12.964 5.051 -10.008 21 HG SER 5 HG SER 5 11.062 6.412 -8.447 22 HA PRO 6 HA PRO 6 9.898 1.917 -11.193 23 HB2 PRO 6 HB2 PRO 6 11.884 -0.215 -11.644 24 HB3 PRO 6 HB1 PRO 6 11.072 0.811 -12.829 25 HG2 PRO 6 HG2 PRO 6 13.674 1.133 -12.288 26 HG3 PRO 6 HG1 PRO 6 12.615 2.515 -12.616 27 HD2 PRO 6 HD2 PRO 6 13.573 1.462 -9.976 28 HD3 PRO 6 HD1 PRO 6 13.504 3.142 -10.556 29 H GLN 7 HN GLN 7 11.735 0.472 -8.656 30 HA GLN 7 HA GLN 7 10.037 -1.813 -8.494 31 HB2 GLN 7 HB2 GLN 7 12.046 -0.746 -6.518 32 HB3 GLN 7 HB1 GLN 7 11.179 -2.262 -6.329 33 HG2 GLN 7 HG2 GLN 7 12.852 -1.614 -8.688 34 HG3 GLN 7 HG1 GLN 7 13.520 -2.443 -7.262 35 HE21 GLN 7 HE21 GLN 7 11.630 -2.668 -10.141 36 HE22 GLN 7 HE22 GLN 7 11.359 -4.365 -10.081 37 H LEU 8 HN LEU 8 9.911 1.433 -7.420 38 HA LEU 8 HA LEU 8 8.545 1.478 -5.059 39 HB2 LEU 8 HB2 LEU 8 9.107 3.560 -5.827 40 HB3 LEU 8 HB1 LEU 8 8.507 3.269 -7.438 41 HG LEU 8 HG LEU 8 6.192 3.463 -6.548 42 HD11 LEU 8 HD11 LEU 8 5.832 4.571 -4.401 43 HD12 LEU 8 HD12 LEU 8 7.539 4.286 -4.018 44 HD13 LEU 8 HD13 LEU 8 6.446 2.924 -4.296 45 HD21 LEU 8 HD21 LEU 8 6.234 5.907 -6.312 46 HD22 LEU 8 HD22 LEU 8 7.143 5.291 -7.678 47 HD23 LEU 8 HD23 LEU 8 8.004 5.845 -6.228 48 H GLU 9 HN GLU 9 6.720 1.764 -8.140 49 HA GLU 9 HA GLU 9 4.442 1.180 -6.543 50 HB2 GLU 9 HB2 GLU 9 4.499 2.848 -8.480 51 HB3 GLU 9 HB1 GLU 9 4.367 1.460 -9.560 52 HG2 GLU 9 HG2 GLU 9 2.280 0.849 -8.107 53 HG3 GLU 9 HG1 GLU 9 2.394 2.535 -7.596 54 H TRP 10 HN TRP 10 6.672 -0.477 -8.387 55 HA TRP 10 HA TRP 10 5.166 -2.678 -9.246 56 HB2 TRP 10 HB2 TRP 10 7.295 -2.262 -10.283 57 HB3 TRP 10 HB1 TRP 10 8.121 -2.393 -8.736 58 HD1 TRP 10 HD1 TRP 10 6.466 -4.576 -11.412 59 HE1 TRP 10 HE1 TRP 10 7.290 -6.993 -11.129 60 HE3 TRP 10 HE3 TRP 10 9.033 -4.023 -7.075 61 HZ2 TRP 10 HZ2 TRP 10 8.812 -8.470 -9.284 62 HZ3 TRP 10 HZ3 TRP 10 10.132 -5.970 -6.100 63 HH2 TRP 10 HH2 TRP 10 10.035 -8.134 -7.155 64 H THR 11 HN THR 11 7.357 -2.367 -6.362 65 HA THR 11 HA THR 11 6.741 -4.906 -5.390 66 HB THR 11 HB THR 11 7.489 -2.439 -3.829 67 HG1 THR 11 HG1 THR 11 9.126 -4.508 -4.895 68 HG21 THR 11 HG21 THR 11 7.810 -5.364 -3.111 69 HG22 THR 11 HG22 THR 11 6.640 -4.251 -2.404 70 HG23 THR 11 HG23 THR 11 8.367 -3.998 -2.142 71 H LEU 12 HN LEU 12 5.300 -1.774 -4.786 72 HA LEU 12 HA LEU 12 3.509 -2.470 -2.856 73 HB2 LEU 12 HB2 LEU 12 3.283 -0.558 -5.115 74 HB3 LEU 12 HB1 LEU 12 2.086 -0.594 -3.825 75 HG LEU 12 HG LEU 12 5.005 0.160 -3.630 76 HD11 LEU 12 HD11 LEU 12 4.093 2.354 -2.986 77 HD12 LEU 12 HD12 LEU 12 2.466 1.744 -3.313 78 HD13 LEU 12 HD13 LEU 12 3.635 1.875 -4.620 79 HD21 LEU 12 HD21 LEU 12 2.926 -0.015 -1.445 80 HD22 LEU 12 HD22 LEU 12 4.536 0.682 -1.273 81 HD23 LEU 12 HD23 LEU 12 4.356 -1.038 -1.602 82 H GLN 13 HN GLN 13 3.100 -2.429 -6.428 83 HA GLN 13 HA GLN 13 0.453 -3.372 -6.429 84 HB2 GLN 13 HB2 GLN 13 0.609 -3.529 -8.826 85 HB3 GLN 13 HB1 GLN 13 1.537 -2.112 -8.336 86 HG2 GLN 13 HG2 GLN 13 3.568 -3.576 -8.520 87 HG3 GLN 13 HG1 GLN 13 2.536 -4.774 -9.273 88 HE21 GLN 13 HE21 GLN 13 2.265 -1.287 -9.743 89 HE22 GLN 13 HE22 GLN 13 2.673 -1.299 -11.410 90 H THR 14 HN THR 14 3.545 -5.039 -6.717 91 HA THR 14 HA THR 14 2.530 -7.536 -7.452 92 HB THR 14 HB THR 14 5.074 -6.915 -5.922 93 HG1 THR 14 HG1 THR 14 5.190 -5.764 -7.775 94 HG21 THR 14 HG21 THR 14 4.372 -9.208 -7.759 95 HG22 THR 14 HG22 THR 14 4.598 -9.333 -6.001 96 HG23 THR 14 HG23 THR 14 5.956 -8.901 -7.063 97 H LEU 15 HN LEU 15 2.981 -6.042 -4.302 98 HA LEU 15 HA LEU 15 2.319 -8.356 -2.749 99 HB2 LEU 15 HB2 LEU 15 2.034 -5.445 -2.055 100 HB3 LEU 15 HB1 LEU 15 2.038 -6.767 -0.917 101 HG LEU 15 HG LEU 15 4.422 -6.089 -2.635 102 HD11 LEU 15 HD11 LEU 15 3.838 -5.308 0.222 103 HD12 LEU 15 HD12 LEU 15 3.892 -4.210 -1.162 104 HD13 LEU 15 HD13 LEU 15 5.357 -5.052 -0.639 105 HD21 LEU 15 HD21 LEU 15 4.168 -7.737 -0.118 106 HD22 LEU 15 HD22 LEU 15 5.633 -7.450 -1.029 107 HD23 LEU 15 HD23 LEU 15 4.322 -8.388 -1.749 108 H LEU 16 HN LEU 16 0.558 -5.498 -3.831 109 HA LEU 16 HA LEU 16 -1.903 -6.243 -2.631 110 HB2 LEU 16 HB2 LEU 16 -1.301 -4.167 -4.739 111 HB3 LEU 16 HB1 LEU 16 -2.828 -4.332 -3.899 112 HG LEU 16 HG LEU 16 -0.215 -3.677 -2.527 113 HD11 LEU 16 HD11 LEU 16 -2.482 -1.857 -3.314 114 HD12 LEU 16 HD12 LEU 16 -0.881 -1.894 -4.051 115 HD13 LEU 16 HD13 LEU 16 -1.065 -1.406 -2.367 116 HD21 LEU 16 HD21 LEU 16 -1.855 -4.741 -1.062 117 HD22 LEU 16 HD22 LEU 16 -3.073 -3.571 -1.580 118 HD23 LEU 16 HD23 LEU 16 -1.672 -3.028 -0.669 119 H GLU 17 HN GLU 17 -0.439 -7.078 -5.649 120 HA GLU 17 HA GLU 17 -2.913 -7.951 -6.803 121 HB2 GLU 17 HB2 GLU 17 -0.048 -8.457 -7.606 122 HB3 GLU 17 HB1 GLU 17 -1.405 -9.124 -8.492 123 HG2 GLU 17 HG2 GLU 17 -2.226 -6.753 -8.828 124 HG3 GLU 17 HG1 GLU 17 -0.699 -6.169 -8.207 125 H GLN 18 HN GLN 18 -0.967 -9.106 -4.418 126 HA GLN 18 HA GLN 18 -1.754 -11.902 -4.751 127 HB2 GLN 18 HB2 GLN 18 -0.098 -10.535 -2.615 128 HB3 GLN 18 HB1 GLN 18 -0.374 -12.279 -2.722 129 HG2 GLN 18 HG2 GLN 18 0.804 -12.332 -4.822 130 HG3 GLN 18 HG1 GLN 18 1.008 -10.585 -4.779 131 HE21 GLN 18 HE21 GLN 18 3.107 -10.585 -4.782 132 HE22 GLN 18 HE22 GLN 18 4.157 -11.157 -3.535 133 H LEU 19 HN LEU 19 -1.872 -9.349 -2.291 134 HA LEU 19 HA LEU 19 -4.152 -10.638 -1.026 135 HB2 LEU 19 HB2 LEU 19 -3.751 -9.208 0.806 136 HB3 LEU 19 HB1 LEU 19 -2.142 -9.605 0.239 137 HG LEU 19 HG LEU 19 -2.784 -7.308 -1.121 138 HD11 LEU 19 HD11 LEU 19 -3.512 -5.674 0.531 139 HD12 LEU 19 HD12 LEU 19 -3.896 -7.015 1.629 140 HD13 LEU 19 HD13 LEU 19 -4.694 -6.890 0.050 141 HD21 LEU 19 HD21 LEU 19 -1.202 -6.157 0.320 142 HD22 LEU 19 HD22 LEU 19 -0.631 -7.698 -0.278 143 HD23 LEU 19 HD23 LEU 19 -1.169 -7.555 1.417 144 H ASN 20 HN ASN 20 -6.128 -10.122 -1.888 145 HA ASN 20 HA ASN 20 -6.847 -7.437 -2.142 146 HB2 ASN 20 HB2 ASN 20 -7.374 -7.338 -4.615 147 HB3 ASN 20 HB1 ASN 20 -5.669 -7.317 -4.192 148 HD21 ASN 20 HD21 ASN 20 -4.586 -9.285 -4.319 149 HD22 ASN 20 HD22 ASN 20 -4.945 -10.434 -5.582 150 H GLU 21 HN GLU 21 -7.750 -10.606 -3.440 151 HA GLU 21 HA GLU 21 -10.304 -10.293 -4.174 152 HB2 GLU 21 HB2 GLU 21 -8.922 -12.347 -4.282 153 HB3 GLU 21 HB1 GLU 21 -9.267 -12.633 -2.594 154 HG2 GLU 21 HG2 GLU 21 -11.616 -12.909 -3.087 155 HG3 GLU 21 HG1 GLU 21 -11.320 -12.517 -4.779 156 H ASP 22 HN ASP 22 -9.652 -11.530 -0.876 157 HA ASP 22 HA ASP 22 -11.887 -9.833 0.021 158 HB2 ASP 22 HB2 ASP 22 -12.340 -12.311 0.088 159 HB3 ASP 22 HB1 ASP 22 -10.987 -12.457 1.208 160 H GLU 23 HN GLU 23 -8.910 -9.827 -0.201 161 HA GLU 23 HA GLU 23 -7.987 -9.554 2.568 162 HB2 GLU 23 HB2 GLU 23 -6.339 -9.253 0.090 163 HB3 GLU 23 HB1 GLU 23 -5.812 -9.698 1.705 164 HG2 GLU 23 HG2 GLU 23 -7.591 -11.307 -0.039 165 HG3 GLU 23 HG1 GLU 23 -5.846 -11.585 0.080 166 H LEU 24 HN LEU 24 -8.455 -7.647 -0.384 167 HA LEU 24 HA LEU 24 -6.956 -5.394 0.476 168 HB2 LEU 24 HB2 LEU 24 -8.129 -6.149 -1.923 169 HB3 LEU 24 HB1 LEU 24 -9.181 -4.919 -1.315 170 HG LEU 24 HG LEU 24 -7.398 -3.301 -1.211 171 HD11 LEU 24 HD11 LEU 24 -5.691 -5.528 -2.328 172 HD12 LEU 24 HD12 LEU 24 -5.493 -4.748 -0.755 173 HD13 LEU 24 HD13 LEU 24 -5.221 -3.837 -2.237 174 HD21 LEU 24 HD21 LEU 24 -8.714 -3.532 -3.248 175 HD22 LEU 24 HD22 LEU 24 -7.569 -4.736 -3.840 176 HD23 LEU 24 HD23 LEU 24 -7.049 -3.068 -3.600 177 H LYS 25 HN LYS 25 -10.156 -6.508 0.809 178 HA LYS 25 HA LYS 25 -11.608 -4.289 1.620 179 HB2 LYS 25 HB2 LYS 25 -11.750 -7.108 2.695 180 HB3 LYS 25 HB1 LYS 25 -13.035 -5.909 2.756 181 HG2 LYS 25 HG2 LYS 25 -13.316 -5.959 0.397 182 HG3 LYS 25 HG1 LYS 25 -11.856 -6.924 0.183 183 HD2 LYS 25 HD2 LYS 25 -12.863 -8.750 1.366 184 HD3 LYS 25 HD1 LYS 25 -14.354 -7.828 1.620 185 HE2 LYS 25 HE2 LYS 25 -14.617 -7.696 -0.839 186 HE3 LYS 25 HE1 LYS 25 -13.170 -8.666 -1.039 187 HZ1 LYS 25 HZ1 LYS 25 -15.759 -9.487 0.121 188 HZ2 LYS 25 HZ2 LYS 25 -14.379 -10.355 0.410 189 HZ3 LYS 25 HZ3 LYS 25 -14.936 -10.191 -1.190 190 H SER 26 HN SER 26 -9.545 -6.529 3.555 191 HA SER 26 HA SER 26 -9.820 -5.367 6.013 192 HB2 SER 26 HB2 SER 26 -7.640 -6.874 4.646 193 HB3 SER 26 HB1 SER 26 -7.777 -6.651 6.371 194 HG SER 26 HG SER 26 -9.807 -7.717 6.239 195 H PHE 27 HN PHE 27 -7.296 -5.155 3.544 196 HA PHE 27 HA PHE 27 -5.503 -3.432 4.712 197 HB2 PHE 27 HB2 PHE 27 -5.089 -4.750 2.718 198 HB3 PHE 27 HB1 PHE 27 -6.245 -3.792 1.817 199 HD1 PHE 27 HD2 PHE 27 -5.605 -1.395 1.243 200 HD2 PHE 27 HD1 PHE 27 -2.846 -4.107 2.994 201 HE1 PHE 27 HE2 PHE 27 -3.744 0.065 0.565 202 HE2 PHE 27 HE1 PHE 27 -0.981 -2.654 2.312 203 HZ PHE 27 HZ PHE 27 -1.430 -0.565 1.096 204 H LYS 28 HN LYS 28 -8.163 -2.564 2.497 205 HA LYS 28 HA LYS 28 -7.882 0.205 2.383 206 HB2 LYS 28 HB2 LYS 28 -10.418 -1.448 2.381 207 HB3 LYS 28 HB1 LYS 28 -10.353 0.247 1.947 208 HG2 LYS 28 HG2 LYS 28 -9.088 -0.230 -0.019 209 HG3 LYS 28 HG1 LYS 28 -8.822 -1.899 0.494 210 HD2 LYS 28 HD2 LYS 28 -11.244 -2.328 0.334 211 HD3 LYS 28 HD1 LYS 28 -11.498 -0.666 -0.190 212 HE2 LYS 28 HE2 LYS 28 -10.247 -1.050 -2.208 213 HE3 LYS 28 HE1 LYS 28 -9.765 -2.648 -1.646 214 HZ1 LYS 28 HZ1 LYS 28 -11.643 -2.551 -3.311 215 HZ2 LYS 28 HZ2 LYS 28 -12.641 -1.965 -2.084 216 HZ3 LYS 28 HZ3 LYS 28 -11.928 -3.471 -1.948 217 H SER 29 HN SER 29 -9.726 -1.782 4.686 218 HA SER 29 HA SER 29 -10.905 0.254 6.115 219 HB2 SER 29 HB2 SER 29 -10.198 -2.551 6.477 220 HB3 SER 29 HB1 SER 29 -11.155 -1.764 7.685 221 HG SER 29 HG SER 29 -11.712 -2.691 5.136 222 H LEU 30 HN LEU 30 -8.196 -1.843 6.782 223 HA LEU 30 HA LEU 30 -7.425 -0.851 9.266 224 HB2 LEU 30 HB2 LEU 30 -5.812 -2.130 7.103 225 HB3 LEU 30 HB1 LEU 30 -5.185 -1.859 8.713 226 HG LEU 30 HG LEU 30 -7.631 -3.511 8.090 227 HD11 LEU 30 HD11 LEU 30 -6.170 -5.454 8.525 228 HD12 LEU 30 HD12 LEU 30 -4.786 -4.361 8.669 229 HD13 LEU 30 HD13 LEU 30 -5.631 -4.523 7.128 230 HD21 LEU 30 HD21 LEU 30 -7.614 -2.619 10.348 231 HD22 LEU 30 HD22 LEU 30 -5.980 -3.229 10.599 232 HD23 LEU 30 HD23 LEU 30 -7.318 -4.357 10.379 233 H LEU 31 HN LEU 31 -6.558 0.314 6.051 234 HA LEU 31 HA LEU 31 -4.692 2.165 7.185 235 HB2 LEU 31 HB2 LEU 31 -4.111 2.766 4.975 236 HB3 LEU 31 HB1 LEU 31 -4.596 1.092 4.855 237 HG LEU 31 HG LEU 31 -6.899 2.132 4.112 238 HD11 LEU 31 HD11 LEU 31 -6.598 4.173 2.816 239 HD12 LEU 31 HD12 LEU 31 -4.926 4.273 3.376 240 HD13 LEU 31 HD13 LEU 31 -6.247 4.435 4.530 241 HD21 LEU 31 HD21 LEU 31 -5.504 0.660 2.757 242 HD22 LEU 31 HD22 LEU 31 -4.470 2.026 2.332 243 HD23 LEU 31 HD23 LEU 31 -6.148 1.991 1.794 244 H TRP 32 HN TRP 32 -8.011 2.050 6.902 245 HA TRP 32 HA TRP 32 -8.306 4.943 6.985 246 HB2 TRP 32 HB2 TRP 32 -9.861 2.963 5.880 247 HB3 TRP 32 HB1 TRP 32 -10.706 3.301 7.389 248 HD1 TRP 32 HD1 TRP 32 -12.331 5.339 7.303 249 HE1 TRP 32 HE1 TRP 32 -12.657 7.313 5.678 250 HE3 TRP 32 HE3 TRP 32 -8.402 4.459 4.334 251 HZ2 TRP 32 HZ2 TRP 32 -11.336 8.374 3.388 252 HZ3 TRP 32 HZ3 TRP 32 -7.928 6.003 2.397 253 HH2 TRP 32 HH2 TRP 32 -9.390 7.915 1.956 254 H ALA 33 HN ALA 33 -7.661 2.448 8.991 255 HA ALA 33 HA ALA 33 -9.336 3.231 11.220 256 HB1 ALA 33 HB1 ALA 33 -9.010 0.846 10.774 257 HB2 ALA 33 HB2 ALA 33 -8.404 1.291 12.371 258 HB3 ALA 33 HB3 ALA 33 -7.277 1.036 11.037 259 H PHE 34 HN PHE 34 -5.938 3.360 10.239 260 HA PHE 34 HA PHE 34 -5.123 4.344 12.784 261 HB2 PHE 34 HB2 PHE 34 -2.895 4.537 11.838 262 HB3 PHE 34 HB1 PHE 34 -3.603 3.107 11.121 263 HD1 PHE 34 HD1 PHE 34 -2.879 6.686 10.441 264 HD2 PHE 34 HD2 PHE 34 -3.636 2.825 8.846 265 HE1 PHE 34 HE1 PHE 34 -2.278 7.503 8.217 266 HE2 PHE 34 HE2 PHE 34 -3.042 3.648 6.599 267 HZ PHE 34 HZ PHE 34 -2.384 5.997 6.288 268 HA PRO 35 HA PRO 35 -6.214 8.613 12.324 269 HB2 PRO 35 HB2 PRO 35 -3.972 9.876 13.334 270 HB3 PRO 35 HB1 PRO 35 -5.255 9.191 14.340 271 HG2 PRO 35 HG2 PRO 35 -2.597 8.051 13.603 272 HG3 PRO 35 HG1 PRO 35 -3.463 7.972 15.145 273 HD2 PRO 35 HD2 PRO 35 -3.389 5.889 13.448 274 HD3 PRO 35 HD1 PRO 35 -4.814 6.242 14.446 275 H LEU 36 HN LEU 36 -6.336 9.231 10.291 276 HA LEU 36 HA LEU 36 -4.158 9.082 8.491 277 HB2 LEU 36 HB2 LEU 36 -6.759 10.492 8.163 278 HB3 LEU 36 HB1 LEU 36 -5.636 10.115 6.887 279 HG LEU 36 HG LEU 36 -7.207 8.088 8.486 280 HD11 LEU 36 HD11 LEU 36 -8.299 7.612 6.383 281 HD12 LEU 36 HD12 LEU 36 -7.322 8.846 5.594 282 HD13 LEU 36 HD13 LEU 36 -8.519 9.320 6.812 283 HD21 LEU 36 HD21 LEU 36 -6.243 6.463 6.943 284 HD22 LEU 36 HD22 LEU 36 -5.041 7.236 7.969 285 HD23 LEU 36 HD23 LEU 36 -5.204 7.727 6.279 286 H GLU 37 HN GLU 37 -2.893 10.511 7.790 287 HA GLU 37 HA GLU 37 -2.553 13.003 9.133 288 HB2 GLU 37 HB2 GLU 37 -1.148 11.849 6.714 289 HB3 GLU 37 HB1 GLU 37 -0.547 13.123 7.777 290 HG2 GLU 37 HG2 GLU 37 -0.398 11.597 9.638 291 HG3 GLU 37 HG1 GLU 37 -1.200 10.356 8.692 292 H ASP 38 HN ASP 38 -2.075 14.950 7.512 293 HA ASP 38 HA ASP 38 -4.540 15.881 6.700 294 HB2 ASP 38 HB2 ASP 38 -2.791 17.456 7.120 295 HB3 ASP 38 HB1 ASP 38 -1.813 16.810 5.808 296 H VAL 39 HN VAL 39 -2.055 14.625 4.504 297 HA VAL 39 HA VAL 39 -3.774 14.967 2.227 298 HB VAL 39 HB VAL 39 -1.278 15.080 2.093 299 HG11 VAL 39 HG11 VAL 39 -1.390 12.093 2.380 300 HG12 VAL 39 HG12 VAL 39 -0.692 13.224 3.530 301 HG13 VAL 39 HG13 VAL 39 0.037 13.026 1.933 302 HG21 VAL 39 HG21 VAL 39 -2.611 13.084 0.263 303 HG22 VAL 39 HG22 VAL 39 -1.081 13.894 -0.065 304 HG23 VAL 39 HG23 VAL 39 -2.568 14.837 0.061 305 H LEU 40 HN LEU 40 -3.378 12.525 4.535 306 HA LEU 40 HA LEU 40 -4.263 10.379 2.810 307 HB2 LEU 40 HB2 LEU 40 -3.673 10.541 5.711 308 HB3 LEU 40 HB1 LEU 40 -4.186 9.058 4.910 309 HG LEU 40 HG LEU 40 -1.693 10.611 4.235 310 HD11 LEU 40 HD11 LEU 40 -0.546 8.834 5.420 311 HD12 LEU 40 HD12 LEU 40 -2.103 8.126 5.856 312 HD13 LEU 40 HD13 LEU 40 -1.641 9.705 6.497 313 HD21 LEU 40 HD21 LEU 40 -2.657 7.859 3.450 314 HD22 LEU 40 HD22 LEU 40 -1.092 8.558 3.049 315 HD23 LEU 40 HD23 LEU 40 -2.563 9.265 2.384 316 H GLN 41 HN GLN 41 -5.619 12.578 5.042 317 HA GLN 41 HA GLN 41 -8.002 11.096 5.525 318 HB2 GLN 41 HB2 GLN 41 -7.089 12.832 7.037 319 HB3 GLN 41 HB1 GLN 41 -7.461 14.048 5.832 320 HG2 GLN 41 HG2 GLN 41 -9.834 13.562 6.064 321 HG3 GLN 41 HG1 GLN 41 -9.465 12.317 7.259 322 HE21 GLN 41 HE21 GLN 41 -9.540 15.681 6.596 323 HE22 GLN 41 HE22 GLN 41 -9.348 16.230 8.222 324 H LYS 42 HN LYS 42 -6.872 12.961 2.928 325 HA LYS 42 HA LYS 42 -9.573 13.387 1.900 326 HB2 LYS 42 HB2 LYS 42 -8.579 14.993 0.325 327 HB3 LYS 42 HB1 LYS 42 -8.254 15.403 1.986 328 HG2 LYS 42 HG2 LYS 42 -6.173 15.841 0.991 329 HG3 LYS 42 HG1 LYS 42 -5.998 14.190 1.587 330 HD2 LYS 42 HD2 LYS 42 -5.055 14.465 -0.662 331 HD3 LYS 42 HD1 LYS 42 -6.352 13.276 -0.598 332 HE2 LYS 42 HE2 LYS 42 -6.505 14.670 -2.589 333 HE3 LYS 42 HE1 LYS 42 -7.903 14.903 -1.552 334 HZ1 LYS 42 HZ1 LYS 42 -5.577 16.746 -1.838 335 HZ2 LYS 42 HZ2 LYS 42 -6.841 17.001 -0.762 336 HZ3 LYS 42 HZ3 LYS 42 -7.135 16.982 -2.418 337 H THR 43 HN THR 43 -7.375 11.023 1.759 338 HA THR 43 HA THR 43 -6.888 10.431 -0.861 339 HB THR 43 HB THR 43 -7.474 8.400 1.322 340 HG1 THR 43 HG1 THR 43 -5.896 9.340 2.261 341 HG21 THR 43 HG21 THR 43 -5.642 8.391 -1.049 342 HG22 THR 43 HG22 THR 43 -7.152 7.465 -0.921 343 HG23 THR 43 HG23 THR 43 -5.774 7.097 0.143 344 HA PRO 44 HA PRO 44 -11.017 9.830 -2.312 345 HB2 PRO 44 HB2 PRO 44 -10.359 8.854 -4.789 346 HB3 PRO 44 HB1 PRO 44 -10.357 10.567 -4.369 347 HG2 PRO 44 HG2 PRO 44 -8.078 8.656 -4.533 348 HG3 PRO 44 HG1 PRO 44 -8.142 10.357 -5.015 349 HD2 PRO 44 HD2 PRO 44 -6.995 9.502 -2.698 350 HD3 PRO 44 HD1 PRO 44 -7.742 11.096 -2.824 351 H TRP 45 HN TRP 45 -11.578 8.183 -0.896 352 HA TRP 45 HA TRP 45 -10.880 5.485 -1.033 353 HB2 TRP 45 HB2 TRP 45 -11.941 6.420 0.945 354 HB3 TRP 45 HB1 TRP 45 -13.386 6.821 0.031 355 HD1 TRP 45 HD1 TRP 45 -14.966 4.732 -0.676 356 HE1 TRP 45 HE1 TRP 45 -15.360 2.462 0.456 357 HE3 TRP 45 HE3 TRP 45 -10.807 4.572 2.254 358 HZ2 TRP 45 HZ2 TRP 45 -14.075 0.818 2.336 359 HZ3 TRP 45 HZ3 TRP 45 -10.464 2.611 3.693 360 HH2 TRP 45 HH2 TRP 45 -12.061 0.777 3.732 361 H SER 46 HN SER 46 -13.318 7.322 -2.753 362 HA SER 46 HA SER 46 -14.803 5.190 -3.775 363 HB2 SER 46 HB2 SER 46 -14.222 7.844 -5.107 364 HB3 SER 46 HB1 SER 46 -15.618 6.803 -5.409 365 HG SER 46 HG SER 46 -15.073 8.504 -3.274 366 H GLU 47 HN GLU 47 -11.671 6.472 -4.739 367 HA GLU 47 HA GLU 47 -11.662 4.839 -7.113 368 HB2 GLU 47 HB2 GLU 47 -9.493 6.521 -5.876 369 HB3 GLU 47 HB1 GLU 47 -9.324 5.630 -7.383 370 HG2 GLU 47 HG2 GLU 47 -11.245 6.958 -8.282 371 HG3 GLU 47 HG1 GLU 47 -11.161 7.946 -6.824 372 H VAL 48 HN VAL 48 -10.367 4.786 -3.866 373 HA VAL 48 HA VAL 48 -8.600 2.624 -4.279 374 HB VAL 48 HB VAL 48 -8.162 2.566 -2.001 375 HG11 VAL 48 HG11 VAL 48 -8.125 4.800 -1.085 376 HG12 VAL 48 HG12 VAL 48 -9.134 5.315 -2.438 377 HG13 VAL 48 HG13 VAL 48 -7.519 4.661 -2.740 378 HG21 VAL 48 HG21 VAL 48 -10.951 3.526 -1.384 379 HG22 VAL 48 HG22 VAL 48 -9.679 3.340 -0.178 380 HG23 VAL 48 HG23 VAL 48 -10.267 1.932 -1.062 381 H GLU 49 HN GLU 49 -11.986 2.842 -3.623 382 HA GLU 49 HA GLU 49 -12.477 0.280 -2.627 383 HB2 GLU 49 HB2 GLU 49 -13.958 2.517 -3.098 384 HB3 GLU 49 HB1 GLU 49 -14.643 1.309 -4.193 385 HG2 GLU 49 HG2 GLU 49 -14.032 0.902 -1.358 386 HG3 GLU 49 HG1 GLU 49 -15.662 1.303 -1.917 387 H GLU 50 HN GLU 50 -12.743 1.619 -5.881 388 HA GLU 50 HA GLU 50 -13.609 -0.856 -6.753 389 HB2 GLU 50 HB2 GLU 50 -12.885 1.576 -8.370 390 HB3 GLU 50 HB1 GLU 50 -13.516 0.112 -9.094 391 HG2 GLU 50 HG2 GLU 50 -15.529 0.357 -7.646 392 HG3 GLU 50 HG1 GLU 50 -14.902 1.929 -7.145 393 H ALA 51 HN ALA 51 -10.637 0.549 -6.283 394 HA ALA 51 HA ALA 51 -9.120 -0.759 -8.359 395 HB1 ALA 51 HB1 ALA 51 -7.219 0.265 -7.285 396 HB2 ALA 51 HB2 ALA 51 -8.252 0.824 -5.966 397 HB3 ALA 51 HB3 ALA 51 -8.484 1.446 -7.599 398 H ASP 52 HN ASP 52 -7.671 -2.285 -8.124 399 HA ASP 52 HA ASP 52 -7.388 -3.600 -5.572 400 HB2 ASP 52 HB2 ASP 52 -7.621 -5.795 -6.543 401 HB3 ASP 52 HB1 ASP 52 -9.083 -4.891 -6.897 402 H GLY 53 HN GLY 53 -5.408 -4.699 -5.433 403 HA2 GLY 53 HA2 GLY 53 -3.164 -4.947 -5.708 404 HA3 GLY 53 HA1 GLY 53 -3.622 -5.349 -7.345 405 H LYS 54 HN LYS 54 -2.929 -4.168 -8.919 406 HA LYS 54 HA LYS 54 -0.856 -2.270 -8.631 407 HB2 LYS 54 HB2 LYS 54 -1.349 -3.761 -10.630 408 HB3 LYS 54 HB1 LYS 54 -2.586 -2.590 -11.064 409 HG2 LYS 54 HG2 LYS 54 -0.298 -1.114 -10.546 410 HG3 LYS 54 HG1 LYS 54 0.256 -2.479 -11.477 411 HD2 LYS 54 HD2 LYS 54 -0.266 -0.965 -13.158 412 HD3 LYS 54 HD1 LYS 54 -1.747 -1.918 -13.052 413 HE2 LYS 54 HE2 LYS 54 -2.519 0.304 -13.092 414 HE3 LYS 54 HE1 LYS 54 -2.506 -0.185 -11.386 415 HZ1 LYS 54 HZ1 LYS 54 -1.594 2.076 -11.774 416 HZ2 LYS 54 HZ2 LYS 54 -0.377 1.430 -12.682 417 HZ3 LYS 54 HZ3 LYS 54 -0.412 1.095 -11.055 418 H LYS 55 HN LYS 55 -4.267 -1.954 -9.182 419 HA LYS 55 HA LYS 55 -4.103 0.716 -9.918 420 HB2 LYS 55 HB2 LYS 55 -6.368 -0.998 -9.022 421 HB3 LYS 55 HB1 LYS 55 -6.622 0.713 -9.290 422 HG2 LYS 55 HG2 LYS 55 -5.514 -1.206 -11.287 423 HG3 LYS 55 HG1 LYS 55 -7.229 -0.763 -11.224 424 HD2 LYS 55 HD2 LYS 55 -4.913 1.149 -11.702 425 HD3 LYS 55 HD1 LYS 55 -5.962 0.501 -12.954 426 HE2 LYS 55 HE2 LYS 55 -6.922 2.174 -10.625 427 HE3 LYS 55 HE1 LYS 55 -6.574 2.805 -12.232 428 HZ1 LYS 55 HZ1 LYS 55 -8.945 2.347 -11.867 429 HZ2 LYS 55 HZ2 LYS 55 -8.616 0.716 -11.656 430 HZ3 LYS 55 HZ3 LYS 55 -8.313 1.448 -13.135 431 H LEU 56 HN LEU 56 -4.672 -0.934 -6.920 432 HA LEU 56 HA LEU 56 -5.374 1.332 -5.400 433 HB2 LEU 56 HB2 LEU 56 -5.824 -1.016 -4.712 434 HB3 LEU 56 HB1 LEU 56 -4.115 -1.216 -4.418 435 HG LEU 56 HG LEU 56 -4.199 0.547 -2.697 436 HD11 LEU 56 HD11 LEU 56 -6.364 1.276 -1.831 437 HD12 LEU 56 HD12 LEU 56 -7.169 0.468 -3.175 438 HD13 LEU 56 HD13 LEU 56 -6.084 1.827 -3.479 439 HD21 LEU 56 HD21 LEU 56 -4.390 -1.781 -2.065 440 HD22 LEU 56 HD22 LEU 56 -6.142 -1.701 -2.280 441 HD23 LEU 56 HD23 LEU 56 -5.364 -0.755 -1.015 442 H ALA 57 HN ALA 57 -2.296 -0.276 -6.003 443 HA ALA 57 HA ALA 57 -0.599 1.216 -4.338 444 HB1 ALA 57 HB1 ALA 57 -0.009 0.080 -7.072 445 HB2 ALA 57 HB2 ALA 57 0.108 -0.801 -5.549 446 HB3 ALA 57 HB3 ALA 57 1.190 0.554 -5.871 447 H GLU 58 HN GLU 58 -1.849 1.868 -7.516 448 HA GLU 58 HA GLU 58 -0.343 4.158 -8.169 449 HB2 GLU 58 HB2 GLU 58 -1.586 2.711 -9.749 450 HB3 GLU 58 HB1 GLU 58 -3.090 3.290 -9.066 451 HG2 GLU 58 HG2 GLU 58 -2.464 5.574 -9.833 452 HG3 GLU 58 HG1 GLU 58 -1.081 4.850 -10.658 453 H ILE 59 HN ILE 59 -3.186 3.672 -6.249 454 HA ILE 59 HA ILE 59 -3.817 6.482 -6.169 455 HB ILE 59 HB ILE 59 -5.061 4.121 -4.705 456 HG12 ILE 59 HG12 ILE 59 -6.255 5.643 -6.981 457 HG13 ILE 59 HG11 ILE 59 -5.085 4.359 -7.316 458 HG21 ILE 59 HG21 ILE 59 -5.986 6.993 -5.047 459 HG22 ILE 59 HG22 ILE 59 -5.518 6.233 -3.522 460 HG23 ILE 59 HG23 ILE 59 -6.968 5.699 -4.378 461 HD11 ILE 59 HD11 ILE 59 -6.558 2.822 -6.137 462 HD12 ILE 59 HD12 ILE 59 -7.296 3.546 -7.541 463 HD13 ILE 59 HD13 ILE 59 -7.741 4.119 -5.914 464 H LEU 60 HN LEU 60 -2.355 4.026 -4.089 465 HA LEU 60 HA LEU 60 -2.001 5.679 -1.817 466 HB2 LEU 60 HB2 LEU 60 -0.664 3.168 -2.738 467 HB3 LEU 60 HB1 LEU 60 0.113 4.094 -1.481 468 HG LEU 60 HG LEU 60 -1.125 2.284 -0.508 469 HD11 LEU 60 HD11 LEU 60 -2.523 4.886 0.030 470 HD12 LEU 60 HD12 LEU 60 -1.034 4.311 0.776 471 HD13 LEU 60 HD13 LEU 60 -2.550 3.455 1.059 472 HD21 LEU 60 HD21 LEU 60 -3.565 3.430 -1.836 473 HD22 LEU 60 HD22 LEU 60 -3.542 2.078 -0.688 474 HD23 LEU 60 HD23 LEU 60 -2.752 1.920 -2.256 475 H VAL 61 HN VAL 61 -0.067 5.203 -4.733 476 HA VAL 61 HA VAL 61 2.159 6.710 -3.763 477 HB VAL 61 HB VAL 61 2.121 4.859 -5.538 478 HG11 VAL 61 HG11 VAL 61 1.893 5.521 -7.869 479 HG12 VAL 61 HG12 VAL 61 1.316 7.104 -7.333 480 HG13 VAL 61 HG13 VAL 61 0.391 5.658 -6.949 481 HG21 VAL 61 HG21 VAL 61 3.674 7.362 -6.153 482 HG22 VAL 61 HG22 VAL 61 4.014 5.735 -6.769 483 HG23 VAL 61 HG23 VAL 61 4.145 6.068 -5.042 484 H ASN 62 HN ASN 62 -0.820 7.678 -4.478 485 HA ASN 62 HA ASN 62 -0.113 10.121 -5.881 486 HB2 ASN 62 HB2 ASN 62 -2.055 8.889 -6.689 487 HB3 ASN 62 HB1 ASN 62 -2.808 8.983 -5.111 488 HD21 ASN 62 HD21 ASN 62 -4.636 9.974 -6.028 489 HD22 ASN 62 HD22 ASN 62 -4.625 11.627 -6.473 490 H THR 63 HN THR 63 -1.056 8.959 -2.697 491 HA THR 63 HA THR 63 -1.482 11.686 -1.849 492 HB THR 63 HB THR 63 -2.227 10.521 0.342 493 HG1 THR 63 HG1 THR 63 -3.017 8.323 -0.315 494 HG21 THR 63 HG21 THR 63 -3.772 10.040 -2.222 495 HG22 THR 63 HG22 THR 63 -3.766 11.547 -1.310 496 HG23 THR 63 HG23 THR 63 -4.442 10.084 -0.592 497 H SER 64 HN SER 64 0.692 8.940 -1.102 498 HA SER 64 HA SER 64 2.102 10.826 0.612 499 HB2 SER 64 HB2 SER 64 1.826 7.856 0.858 500 HB3 SER 64 HB1 SER 64 2.836 8.877 1.882 501 HG SER 64 HG SER 64 0.233 9.655 1.518 502 H SER 65 HN SER 65 4.365 10.351 0.954 503 HA SER 65 HA SER 65 5.862 10.042 -1.464 504 HB2 SER 65 HB2 SER 65 6.528 11.631 0.327 505 HB3 SER 65 HB1 SER 65 6.708 10.285 1.446 506 HG SER 65 HG SER 65 8.258 10.807 -0.878 507 H GLU 66 HN GLU 66 7.545 8.362 -1.712 508 HA GLU 66 HA GLU 66 6.441 5.804 -1.299 509 HB2 GLU 66 HB2 GLU 66 8.363 4.861 -2.353 510 HB3 GLU 66 HB1 GLU 66 7.940 6.326 -3.229 511 HG2 GLU 66 HG2 GLU 66 10.206 5.914 -1.297 512 HG3 GLU 66 HG1 GLU 66 10.339 6.029 -3.048 513 H ASN 67 HN ASN 67 8.856 7.594 0.413 514 HA ASN 67 HA ASN 67 9.910 5.642 2.092 515 HB2 ASN 67 HB2 ASN 67 10.629 8.079 1.824 516 HB3 ASN 67 HB1 ASN 67 9.312 8.482 2.910 517 HD21 ASN 67 HD21 ASN 67 12.428 7.064 2.618 518 HD22 ASN 67 HD22 ASN 67 12.770 6.929 4.308 519 H TRP 68 HN TRP 68 6.869 7.314 2.204 520 HA TRP 68 HA TRP 68 6.226 6.429 4.875 521 HB2 TRP 68 HB2 TRP 68 5.392 8.606 3.960 522 HB3 TRP 68 HB1 TRP 68 4.473 7.707 2.766 523 HD1 TRP 68 HD1 TRP 68 4.443 8.706 6.414 524 HE1 TRP 68 HE1 TRP 68 2.163 8.136 7.436 525 HE3 TRP 68 HE3 TRP 68 2.479 5.991 2.564 526 HZ2 TRP 68 HZ2 TRP 68 -0.137 6.673 6.724 527 HZ3 TRP 68 HZ3 TRP 68 0.233 5.051 2.809 528 HH2 TRP 68 HH2 TRP 68 -1.048 5.377 4.840 529 H ILE 69 HN ILE 69 5.128 5.800 1.569 530 HA ILE 69 HA ILE 69 3.121 3.939 2.212 531 HB ILE 69 HB ILE 69 4.667 3.910 -0.391 532 HG12 ILE 69 HG12 ILE 69 2.212 5.553 0.229 533 HG13 ILE 69 HG11 ILE 69 3.839 6.229 0.307 534 HG21 ILE 69 HG21 ILE 69 2.500 3.100 -1.278 535 HG22 ILE 69 HG22 ILE 69 1.813 3.213 0.343 536 HG23 ILE 69 HG23 ILE 69 3.091 2.053 0.018 537 HD11 ILE 69 HD11 ILE 69 4.135 5.684 -2.065 538 HD12 ILE 69 HD12 ILE 69 2.778 6.768 -1.772 539 HD13 ILE 69 HD13 ILE 69 2.484 5.060 -2.107 540 H ARG 70 HN ARG 70 6.533 3.518 1.549 541 HA ARG 70 HA ARG 70 6.602 0.747 1.269 542 HB2 ARG 70 HB2 ARG 70 8.974 0.899 1.639 543 HB3 ARG 70 HB1 ARG 70 8.479 2.339 0.762 544 HG2 ARG 70 HG2 ARG 70 8.547 3.608 2.856 545 HG3 ARG 70 HG1 ARG 70 9.093 2.158 3.696 546 HD2 ARG 70 HD2 ARG 70 10.995 2.071 2.065 547 HD3 ARG 70 HD1 ARG 70 10.499 3.662 1.506 548 HE ARG 70 HE ARG 70 10.774 3.875 4.231 549 HH11 ARG 70 HH11 ARG 70 12.831 3.190 1.432 550 HH12 ARG 70 HH12 ARG 70 14.286 3.541 2.258 551 HH21 ARG 70 HH21 ARG 70 12.828 4.330 5.351 552 HH22 ARG 70 HH22 ARG 70 14.291 4.158 4.480 553 H ASN 71 HN ASN 71 6.485 2.756 4.106 554 HA ASN 71 HA ASN 71 6.975 0.525 5.899 555 HB2 ASN 71 HB2 ASN 71 7.967 2.721 6.412 556 HB3 ASN 71 HB1 ASN 71 6.368 3.447 6.436 557 HD21 ASN 71 HD21 ASN 71 5.089 3.207 8.238 558 HD22 ASN 71 HD22 ASN 71 5.652 2.502 9.699 559 H ALA 72 HN ALA 72 4.447 2.554 4.726 560 HA ALA 72 HA ALA 72 2.360 2.047 6.465 561 HB1 ALA 72 HB1 ALA 72 0.888 2.688 4.679 562 HB2 ALA 72 HB2 ALA 72 2.180 2.448 3.506 563 HB3 ALA 72 HB3 ALA 72 2.314 3.728 4.714 564 H THR 73 HN THR 73 3.041 0.433 3.380 565 HA THR 73 HA THR 73 1.004 -1.557 3.669 566 HB THR 73 HB THR 73 2.006 -0.946 1.454 567 HG1 THR 73 HG1 THR 73 1.875 -3.579 2.374 568 HG21 THR 73 HG21 THR 73 4.192 -1.892 0.795 569 HG22 THR 73 HG22 THR 73 4.447 -2.428 2.457 570 HG23 THR 73 HG23 THR 73 4.355 -0.707 2.092 571 H VAL 74 HN VAL 74 4.329 -1.465 4.780 572 HA VAL 74 HA VAL 74 4.377 -4.174 5.493 573 HB VAL 74 HB VAL 74 5.873 -1.799 6.669 574 HG11 VAL 74 HG11 VAL 74 5.770 -3.583 8.345 575 HG12 VAL 74 HG12 VAL 74 7.404 -3.420 7.695 576 HG13 VAL 74 HG13 VAL 74 6.366 -4.741 7.154 577 HG21 VAL 74 HG21 VAL 74 6.389 -2.294 4.334 578 HG22 VAL 74 HG22 VAL 74 6.730 -3.969 4.757 579 HG23 VAL 74 HG23 VAL 74 7.757 -2.677 5.374 580 H ASN 75 HN ASN 75 3.515 -1.276 7.366 581 HA ASN 75 HA ASN 75 2.832 -2.679 9.733 582 HB2 ASN 75 HB2 ASN 75 3.313 -0.259 9.694 583 HB3 ASN 75 HB1 ASN 75 1.827 0.014 8.816 584 HD21 ASN 75 HD21 ASN 75 -0.063 0.164 9.900 585 HD22 ASN 75 HD22 ASN 75 -0.247 -0.052 11.599 586 H ILE 76 HN ILE 76 0.799 -1.596 7.061 587 HA ILE 76 HA ILE 76 -1.679 -2.513 8.150 588 HB ILE 76 HB ILE 76 -1.008 -2.546 5.187 589 HG12 ILE 76 HG12 ILE 76 -0.533 -0.313 6.140 590 HG13 ILE 76 HG11 ILE 76 -1.883 -0.272 5.011 591 HG21 ILE 76 HG21 ILE 76 -3.053 -3.717 5.757 592 HG22 ILE 76 HG22 ILE 76 -3.427 -2.229 4.887 593 HG23 ILE 76 HG23 ILE 76 -3.640 -2.304 6.636 594 HD11 ILE 76 HD11 ILE 76 -2.009 -0.215 8.012 595 HD12 ILE 76 HD12 ILE 76 -3.408 -0.220 6.919 596 HD13 ILE 76 HD13 ILE 76 -2.278 1.134 6.899 597 H LEU 77 HN LEU 77 0.663 -4.175 6.028 598 HA LEU 77 HA LEU 77 -0.734 -6.571 5.943 599 HB2 LEU 77 HB2 LEU 77 2.073 -5.740 5.362 600 HB3 LEU 77 HB1 LEU 77 1.658 -7.439 5.386 601 HG LEU 77 HG LEU 77 0.090 -7.136 3.567 602 HD11 LEU 77 HD11 LEU 77 -0.233 -5.110 2.342 603 HD12 LEU 77 HD12 LEU 77 0.635 -4.234 3.608 604 HD13 LEU 77 HD13 LEU 77 -0.876 -5.060 3.984 605 HD21 LEU 77 HD21 LEU 77 2.688 -5.783 2.925 606 HD22 LEU 77 HD22 LEU 77 1.603 -6.559 1.766 607 HD23 LEU 77 HD23 LEU 77 2.426 -7.522 2.998 608 H GLU 78 HN GLU 78 1.713 -5.399 8.191 609 HA GLU 78 HA GLU 78 1.985 -7.677 9.794 610 HB2 GLU 78 HB2 GLU 78 2.043 -4.745 10.499 611 HB3 GLU 78 HB1 GLU 78 2.440 -5.977 11.670 612 HG2 GLU 78 HG2 GLU 78 3.887 -5.499 9.072 613 HG3 GLU 78 HG1 GLU 78 4.413 -4.928 10.652 614 H GLU 79 HN GLU 79 -0.384 -5.094 9.860 615 HA GLU 79 HA GLU 79 -1.902 -5.992 12.051 616 HB2 GLU 79 HB2 GLU 79 -2.454 -4.193 9.761 617 HB3 GLU 79 HB1 GLU 79 -3.683 -4.449 10.985 618 HG2 GLU 79 HG2 GLU 79 -0.900 -3.402 11.486 619 HG3 GLU 79 HG1 GLU 79 -2.340 -2.397 11.329 620 H MET 80 HN MET 80 -1.859 -6.960 8.737 621 HA MET 80 HA MET 80 -4.371 -8.427 8.959 622 HB2 MET 80 HB2 MET 80 -2.345 -8.317 6.706 623 HB3 MET 80 HB1 MET 80 -3.884 -9.159 6.641 624 HG2 MET 80 HG2 MET 80 -5.047 -7.019 6.907 625 HG3 MET 80 HG1 MET 80 -3.494 -6.196 6.958 626 HE1 MET 80 HE1 MET 80 -5.153 -8.382 3.249 627 HE2 MET 80 HE2 MET 80 -5.987 -8.291 4.802 628 HE3 MET 80 HE3 MET 80 -4.516 -9.248 4.643 629 H ASN 81 HN ASN 81 -1.302 -8.792 9.930 630 HA ASN 81 HA ASN 81 0.028 -10.404 10.698 631 HB2 ASN 81 HB2 ASN 81 -2.134 -11.147 11.815 632 HB3 ASN 81 HB1 ASN 81 -2.364 -12.270 10.484 633 HD21 ASN 81 HD21 ASN 81 -2.360 -13.965 11.972 634 HD22 ASN 81 HD22 ASN 81 -0.901 -14.573 12.664 635 H LEU 82 HN LEU 82 -0.136 -9.837 7.967 636 HA LEU 82 HA LEU 82 0.403 -12.334 6.575 637 HB2 LEU 82 HB2 LEU 82 0.209 -9.460 5.727 638 HB3 LEU 82 HB1 LEU 82 0.763 -10.720 4.635 639 HG LEU 82 HG LEU 82 -1.976 -10.526 5.903 640 HD11 LEU 82 HD11 LEU 82 -2.730 -10.055 3.627 641 HD12 LEU 82 HD12 LEU 82 -1.067 -10.084 3.057 642 HD13 LEU 82 HD13 LEU 82 -1.593 -8.833 4.187 643 HD21 LEU 82 HD21 LEU 82 -0.827 -12.485 3.921 644 HD22 LEU 82 HD22 LEU 82 -2.532 -12.362 4.351 645 HD23 LEU 82 HD23 LEU 82 -1.351 -12.842 5.568 646 H THR 83 HN THR 83 2.443 -13.071 6.864 647 HA THR 83 HA THR 83 4.516 -11.176 7.551 648 HB THR 83 HB THR 83 5.842 -13.369 7.798 649 HG1 THR 83 HG1 THR 83 3.777 -14.912 8.332 650 HG21 THR 83 HG21 THR 83 5.007 -12.078 9.716 651 HG22 THR 83 HG22 THR 83 4.846 -13.809 10.014 652 HG23 THR 83 HG23 THR 83 3.432 -12.855 9.560 653 H GLU 84 HN GLU 84 4.318 -13.934 5.407 654 HA GLU 84 HA GLU 84 6.592 -13.888 4.035 655 HB2 GLU 84 HB2 GLU 84 5.282 -14.715 2.002 656 HB3 GLU 84 HB1 GLU 84 5.097 -15.593 3.512 657 HG2 GLU 84 HG2 GLU 84 2.943 -14.530 3.905 658 HG3 GLU 84 HG1 GLU 84 3.141 -13.523 2.488 659 H LEU 85 HN LEU 85 3.868 -12.082 2.598 660 HA LEU 85 HA LEU 85 5.625 -10.877 0.724 661 HB2 LEU 85 HB2 LEU 85 3.696 -9.765 -0.228 662 HB3 LEU 85 HB1 LEU 85 3.354 -11.446 0.045 663 HG LEU 85 HG LEU 85 2.336 -9.189 1.782 664 HD11 LEU 85 HD11 LEU 85 1.418 -9.053 -0.449 665 HD12 LEU 85 HD12 LEU 85 0.189 -9.618 0.686 666 HD13 LEU 85 HD13 LEU 85 0.986 -10.761 -0.394 667 HD21 LEU 85 HD21 LEU 85 1.638 -12.132 1.693 668 HD22 LEU 85 HD22 LEU 85 0.728 -10.909 2.564 669 HD23 LEU 85 HD23 LEU 85 2.389 -11.257 3.037 670 H CYS 86 HN CYS 86 4.385 -9.941 3.786 671 HA CYS 86 HA CYS 86 4.824 -7.144 3.617 672 HB2 CYS 86 HB2 CYS 86 3.492 -8.288 5.382 673 HB3 CYS 86 HB1 CYS 86 4.975 -9.062 5.866 674 HG CYS 86 HG CYS 86 4.723 -7.280 7.854 675 H LYS 87 HN LYS 87 6.717 -9.880 4.730 676 HA LYS 87 HA LYS 87 9.072 -8.516 5.466 677 HB2 LYS 87 HB2 LYS 87 8.709 -11.341 4.478 678 HB3 LYS 87 HB1 LYS 87 10.116 -10.713 5.335 679 HG2 LYS 87 HG2 LYS 87 8.877 -10.409 7.328 680 HG3 LYS 87 HG1 LYS 87 7.347 -10.702 6.501 681 HD2 LYS 87 HD2 LYS 87 7.986 -12.659 7.785 682 HD3 LYS 87 HD1 LYS 87 8.065 -13.014 6.062 683 HE2 LYS 87 HE2 LYS 87 9.965 -13.938 7.137 684 HE3 LYS 87 HE1 LYS 87 10.451 -12.586 6.107 685 HZ1 LYS 87 HZ1 LYS 87 11.581 -12.512 8.291 686 HZ2 LYS 87 HZ2 LYS 87 10.078 -12.406 9.058 687 HZ3 LYS 87 HZ3 LYS 87 10.594 -11.166 8.062 688 H MET 88 HN MET 88 7.877 -9.838 2.449 689 HA MET 88 HA MET 88 10.219 -9.571 0.937 690 HB2 MET 88 HB2 MET 88 8.133 -10.914 0.415 691 HB3 MET 88 HB1 MET 88 7.373 -9.396 -0.030 692 HG2 MET 88 HG2 MET 88 8.150 -10.551 -1.971 693 HG3 MET 88 HG1 MET 88 9.061 -9.049 -1.733 694 HE1 MET 88 HE1 MET 88 11.651 -11.612 -3.312 695 HE2 MET 88 HE2 MET 88 10.832 -10.066 -3.533 696 HE3 MET 88 HE3 MET 88 9.915 -11.571 -3.618 697 H ALA 89 HN ALA 89 7.416 -7.491 1.519 698 HA ALA 89 HA ALA 89 8.059 -5.290 -0.061 699 HB1 ALA 89 HB1 ALA 89 6.657 -3.981 1.437 700 HB2 ALA 89 HB2 ALA 89 6.820 -5.197 2.691 701 HB3 ALA 89 HB3 ALA 89 5.929 -5.581 1.223 702 H LYS 90 HN LYS 90 9.002 -6.102 3.210 703 HA LYS 90 HA LYS 90 10.503 -3.797 3.831 704 HB2 LYS 90 HB2 LYS 90 10.819 -6.599 4.895 705 HB3 LYS 90 HB1 LYS 90 11.445 -5.146 5.656 706 HG2 LYS 90 HG2 LYS 90 9.185 -4.354 6.037 707 HG3 LYS 90 HG1 LYS 90 8.534 -5.757 5.197 708 HD2 LYS 90 HD2 LYS 90 8.303 -6.363 7.425 709 HD3 LYS 90 HD1 LYS 90 9.829 -7.119 6.993 710 HE2 LYS 90 HE2 LYS 90 9.509 -4.484 8.429 711 HE3 LYS 90 HE1 LYS 90 9.877 -6.022 9.194 712 HZ1 LYS 90 HZ1 LYS 90 11.837 -4.723 8.955 713 HZ2 LYS 90 HZ2 LYS 90 11.617 -4.495 7.331 714 HZ3 LYS 90 HZ3 LYS 90 11.987 -6.045 7.920 715 H ALA 91 HN ALA 91 11.205 -6.477 1.814 716 HA ALA 91 HA ALA 91 14.079 -5.952 1.914 717 HB1 ALA 91 HB1 ALA 91 14.354 -8.156 0.912 718 HB2 ALA 91 HB2 ALA 91 12.610 -8.303 0.722 719 HB3 ALA 91 HB3 ALA 91 13.308 -8.291 2.330 720 H GLU 92 HN GLU 92 11.480 -4.930 0.210 721 HA GLU 92 HA GLU 92 13.056 -4.693 -2.274 722 HB2 GLU 92 HB2 GLU 92 10.163 -5.236 -1.939 723 HB3 GLU 92 HB1 GLU 92 10.827 -4.777 -3.501 724 HG2 GLU 92 HG2 GLU 92 12.336 -6.817 -3.235 725 HG3 GLU 92 HG1 GLU 92 11.357 -7.245 -1.847 726 H MET 93 HN MET 93 10.339 -3.265 -0.474 727 HA MET 93 HA MET 93 10.551 -0.811 -1.983 728 HB2 MET 93 HB2 MET 93 8.491 -2.056 -0.318 729 HB3 MET 93 HB1 MET 93 8.727 -0.356 0.092 730 HG2 MET 93 HG2 MET 93 8.426 -1.213 -2.712 731 HG3 MET 93 HG1 MET 93 7.008 -1.183 -1.664 732 HE1 MET 93 HE1 MET 93 9.508 2.507 -3.015 733 HE2 MET 93 HE2 MET 93 9.792 0.844 -3.550 734 HE3 MET 93 HE3 MET 93 10.171 1.322 -1.899 735 H MET 94 HN MET 94 12.321 -1.996 0.312 736 HA MET 94 HA MET 94 12.810 0.580 1.667 737 HB2 MET 94 HB2 MET 94 13.509 -2.224 2.596 738 HB3 MET 94 HB1 MET 94 13.829 -0.743 3.474 739 HG2 MET 94 HG2 MET 94 11.077 -1.780 2.821 740 HG3 MET 94 HG1 MET 94 11.924 -2.087 4.335 741 HE1 MET 94 HE1 MET 94 12.451 -0.232 6.140 742 HE2 MET 94 HE2 MET 94 12.094 1.480 5.916 743 HE3 MET 94 HE3 MET 94 13.340 0.709 4.938 744 H GLU 95 HN GLU 95 15.244 0.794 2.143 745 HA GLU 95 HA GLU 95 16.769 -0.407 -0.052 746 HB2 GLU 95 HB2 GLU 95 18.487 1.317 0.372 747 HB3 GLU 95 HB1 GLU 95 16.929 2.064 0.082 748 HG2 GLU 95 HG2 GLU 95 18.103 1.605 2.801 749 HG3 GLU 95 HG1 GLU 95 18.291 3.107 1.891 750 H ASP 96 HN ASP 96 15.812 -1.491 2.398 751 HA ASP 96 HA ASP 96 17.900 -2.019 4.250 752 HB2 ASP 96 HB2 ASP 96 15.396 -2.172 4.643 753 HB3 ASP 96 HB1 ASP 96 15.429 -3.671 3.724 754 H GLY 97 HN GLY 97 19.591 -3.232 3.811 755 HA2 GLY 97 HA2 GLY 97 20.071 -5.663 3.261 756 HA3 GLY 97 HA1 GLY 97 19.399 -5.225 1.688 757 H GLN 98 HN GLN 98 22.012 -6.116 2.037 758 HA GLN 98 HA GLN 98 23.667 -3.765 1.971 759 HB2 GLN 98 HB2 GLN 98 24.378 -6.663 1.539 760 HB3 GLN 98 HB1 GLN 98 25.533 -5.340 1.600 761 HG2 GLN 98 HG2 GLN 98 23.772 -6.309 3.837 762 HG3 GLN 98 HG1 GLN 98 25.525 -6.458 3.711 763 HE21 GLN 98 HE21 GLN 98 26.776 -4.626 3.986 764 HE22 GLN 98 HE22 GLN 98 26.194 -3.204 4.763 Start of MODEL 14 1 H MET 3 HT1 MET 3 13.440 4.321 -2.001 2 HA MET 3 HA MET 3 14.499 3.853 -4.231 3 HB2 MET 3 HB2 MET 3 13.410 2.068 -2.975 4 HB3 MET 3 HB1 MET 3 11.837 2.569 -3.565 5 HG2 MET 3 HG2 MET 3 12.353 1.863 -5.781 6 HG3 MET 3 HG1 MET 3 14.041 1.590 -5.358 7 HE1 MET 3 HE1 MET 3 13.939 -1.541 -3.128 8 HE2 MET 3 HE2 MET 3 13.920 0.127 -2.577 9 HE3 MET 3 HE3 MET 3 14.934 -0.338 -3.947 10 H THR 4 HN THR 4 14.286 3.838 -6.554 11 HA THR 4 HA THR 4 13.064 6.015 -7.665 12 HB THR 4 HB THR 4 13.243 3.552 -9.168 13 HG1 THR 4 HG1 THR 4 15.654 3.813 -9.098 14 HG21 THR 4 HG21 THR 4 14.277 6.354 -9.656 15 HG22 THR 4 HG22 THR 4 12.821 5.627 -10.334 16 HG23 THR 4 HG23 THR 4 14.412 5.031 -10.813 17 H SER 5 HN SER 5 11.314 6.197 -8.858 18 HA SER 5 HA SER 5 8.980 5.356 -7.670 19 HB2 SER 5 HB2 SER 5 9.321 6.748 -10.313 20 HB3 SER 5 HB1 SER 5 7.755 6.501 -9.533 21 HG SER 5 HG SER 5 8.337 7.700 -7.892 22 HA PRO 6 HA PRO 6 7.871 2.372 -11.397 23 HB2 PRO 6 HB2 PRO 6 10.663 1.492 -11.975 24 HB3 PRO 6 HB1 PRO 6 9.267 1.610 -13.063 25 HG2 PRO 6 HG2 PRO 6 11.138 3.443 -13.195 26 HG3 PRO 6 HG1 PRO 6 9.432 3.921 -13.224 27 HD2 PRO 6 HD2 PRO 6 11.375 4.046 -10.948 28 HD3 PRO 6 HD1 PRO 6 10.170 5.245 -11.468 29 H GLN 7 HN GLN 7 10.895 1.580 -9.664 30 HA GLN 7 HA GLN 7 9.973 -1.022 -9.145 31 HB2 GLN 7 HB2 GLN 7 12.350 0.441 -8.073 32 HB3 GLN 7 HB1 GLN 7 11.957 -1.181 -7.529 33 HG2 GLN 7 HG2 GLN 7 13.610 -1.391 -9.238 34 HG3 GLN 7 HG1 GLN 7 12.083 -1.943 -9.909 35 HE21 GLN 7 HE21 GLN 7 13.063 1.365 -9.465 36 HE22 GLN 7 HE22 GLN 7 13.176 1.793 -11.135 37 H LEU 8 HN LEU 8 9.950 1.930 -7.384 38 HA LEU 8 HA LEU 8 9.260 1.060 -4.817 39 HB2 LEU 8 HB2 LEU 8 10.013 3.339 -5.472 40 HB3 LEU 8 HB1 LEU 8 8.516 3.583 -6.322 41 HG LEU 8 HG LEU 8 8.767 4.802 -4.150 42 HD11 LEU 8 HD11 LEU 8 6.535 4.530 -3.408 43 HD12 LEU 8 HD12 LEU 8 6.414 2.933 -4.157 44 HD13 LEU 8 HD13 LEU 8 6.536 4.361 -5.173 45 HD21 LEU 8 HD21 LEU 8 8.505 2.038 -2.986 46 HD22 LEU 8 HD22 LEU 8 8.394 3.537 -2.074 47 HD23 LEU 8 HD23 LEU 8 9.906 3.105 -2.872 48 H GLU 9 HN GLU 9 7.229 2.180 -7.485 49 HA GLU 9 HA GLU 9 4.742 1.570 -6.318 50 HB2 GLU 9 HB2 GLU 9 5.079 3.160 -8.073 51 HB3 GLU 9 HB1 GLU 9 5.566 1.898 -9.200 52 HG2 GLU 9 HG2 GLU 9 3.252 0.893 -8.805 53 HG3 GLU 9 HG1 GLU 9 2.842 2.430 -8.044 54 H TRP 10 HN TRP 10 6.908 -0.185 -8.486 55 HA TRP 10 HA TRP 10 5.334 -2.359 -9.083 56 HB2 TRP 10 HB2 TRP 10 7.413 -2.095 -10.261 57 HB3 TRP 10 HB1 TRP 10 8.329 -2.141 -8.763 58 HD1 TRP 10 HD1 TRP 10 6.462 -4.496 -11.169 59 HE1 TRP 10 HE1 TRP 10 7.295 -6.888 -10.771 60 HE3 TRP 10 HE3 TRP 10 9.425 -3.639 -7.104 61 HZ2 TRP 10 HZ2 TRP 10 9.002 -8.243 -8.951 62 HZ3 TRP 10 HZ3 TRP 10 10.616 -5.528 -6.087 63 HH2 TRP 10 HH2 TRP 10 10.410 -7.768 -6.974 64 H THR 11 HN THR 11 7.462 -1.843 -6.294 65 HA THR 11 HA THR 11 7.110 -4.415 -5.240 66 HB THR 11 HB THR 11 7.712 -1.939 -3.546 67 HG1 THR 11 HG1 THR 11 9.158 -2.141 -5.385 68 HG21 THR 11 HG21 THR 11 8.407 -4.871 -3.273 69 HG22 THR 11 HG22 THR 11 7.215 -4.003 -2.302 70 HG23 THR 11 HG23 THR 11 8.927 -3.584 -2.187 71 H LEU 12 HN LEU 12 5.243 -1.511 -4.870 72 HA LEU 12 HA LEU 12 3.458 -2.441 -2.888 73 HB2 LEU 12 HB2 LEU 12 3.277 -0.398 -5.023 74 HB3 LEU 12 HB1 LEU 12 1.943 -0.665 -3.900 75 HG LEU 12 HG LEU 12 4.736 0.225 -3.166 76 HD11 LEU 12 HD11 LEU 12 3.694 2.370 -2.685 77 HD12 LEU 12 HD12 LEU 12 2.133 1.748 -3.228 78 HD13 LEU 12 HD13 LEU 12 3.457 1.935 -4.377 79 HD21 LEU 12 HD21 LEU 12 3.698 -1.088 -1.401 80 HD22 LEU 12 HD22 LEU 12 2.236 -0.107 -1.511 81 HD23 LEU 12 HD23 LEU 12 3.746 0.615 -0.957 82 H GLN 13 HN GLN 13 3.122 -2.239 -6.434 83 HA GLN 13 HA GLN 13 0.575 -3.389 -6.499 84 HB2 GLN 13 HB2 GLN 13 0.869 -3.719 -8.925 85 HB3 GLN 13 HB1 GLN 13 1.521 -2.162 -8.431 86 HG2 GLN 13 HG2 GLN 13 3.704 -2.943 -8.524 87 HG3 GLN 13 HG1 GLN 13 3.185 -4.586 -8.873 88 HE21 GLN 13 HE21 GLN 13 1.099 -3.800 -10.729 89 HE22 GLN 13 HE22 GLN 13 1.903 -3.285 -12.155 90 H THR 14 HN THR 14 3.740 -4.913 -6.703 91 HA THR 14 HA THR 14 2.959 -7.467 -7.412 92 HB THR 14 HB THR 14 5.289 -6.637 -5.658 93 HG1 THR 14 HG1 THR 14 5.626 -5.591 -7.506 94 HG21 THR 14 HG21 THR 14 4.915 -9.072 -5.662 95 HG22 THR 14 HG22 THR 14 6.375 -8.628 -6.567 96 HG23 THR 14 HG23 THR 14 4.889 -9.039 -7.430 97 H LEU 15 HN LEU 15 2.953 -5.955 -4.242 98 HA LEU 15 HA LEU 15 2.388 -8.376 -2.783 99 HB2 LEU 15 HB2 LEU 15 1.965 -5.508 -2.009 100 HB3 LEU 15 HB1 LEU 15 2.017 -6.873 -0.921 101 HG LEU 15 HG LEU 15 4.383 -6.032 -2.585 102 HD11 LEU 15 HD11 LEU 15 3.763 -5.356 0.280 103 HD12 LEU 15 HD12 LEU 15 3.762 -4.224 -1.077 104 HD13 LEU 15 HD13 LEU 15 5.266 -5.012 -0.584 105 HD21 LEU 15 HD21 LEU 15 5.628 -7.395 -1.011 106 HD22 LEU 15 HD22 LEU 15 4.377 -8.363 -1.786 107 HD23 LEU 15 HD23 LEU 15 4.160 -7.784 -0.136 108 H LEU 16 HN LEU 16 0.624 -5.588 -3.936 109 HA LEU 16 HA LEU 16 -1.848 -6.397 -2.823 110 HB2 LEU 16 HB2 LEU 16 -0.992 -4.151 -4.590 111 HB3 LEU 16 HB1 LEU 16 -2.696 -4.499 -4.404 112 HG LEU 16 HG LEU 16 -2.590 -4.043 -2.021 113 HD11 LEU 16 HD11 LEU 16 -0.356 -4.826 -1.525 114 HD12 LEU 16 HD12 LEU 16 -0.606 -3.167 -0.945 115 HD13 LEU 16 HD13 LEU 16 0.330 -3.461 -2.417 116 HD21 LEU 16 HD21 LEU 16 -2.108 -1.685 -2.087 117 HD22 LEU 16 HD22 LEU 16 -2.971 -2.228 -3.533 118 HD23 LEU 16 HD23 LEU 16 -1.241 -1.900 -3.610 119 H GLU 17 HN GLU 17 -0.281 -7.161 -5.772 120 HA GLU 17 HA GLU 17 -2.645 -8.013 -7.142 121 HB2 GLU 17 HB2 GLU 17 0.266 -8.728 -7.559 122 HB3 GLU 17 HB1 GLU 17 -1.031 -9.258 -8.617 123 HG2 GLU 17 HG2 GLU 17 -1.509 -6.953 -9.217 124 HG3 GLU 17 HG1 GLU 17 -0.294 -6.378 -8.097 125 H GLN 18 HN GLN 18 -0.787 -9.200 -4.629 126 HA GLN 18 HA GLN 18 -1.648 -11.969 -4.951 127 HB2 GLN 18 HB2 GLN 18 0.073 -10.649 -2.848 128 HB3 GLN 18 HB1 GLN 18 -0.213 -12.390 -2.977 129 HG2 GLN 18 HG2 GLN 18 0.907 -12.373 -5.159 130 HG3 GLN 18 HG1 GLN 18 1.168 -10.639 -5.004 131 HE21 GLN 18 HE21 GLN 18 3.354 -10.778 -5.078 132 HE22 GLN 18 HE22 GLN 18 4.315 -11.443 -3.808 133 H LEU 19 HN LEU 19 -1.865 -9.293 -2.627 134 HA LEU 19 HA LEU 19 -4.078 -10.655 -1.294 135 HB2 LEU 19 HB2 LEU 19 -3.683 -9.258 0.552 136 HB3 LEU 19 HB1 LEU 19 -2.073 -9.591 -0.058 137 HG LEU 19 HG LEU 19 -2.772 -7.288 -1.350 138 HD11 LEU 19 HD11 LEU 19 -3.911 -7.037 1.396 139 HD12 LEU 19 HD12 LEU 19 -4.730 -6.957 -0.169 140 HD13 LEU 19 HD13 LEU 19 -3.575 -5.699 0.275 141 HD21 LEU 19 HD21 LEU 19 -1.262 -6.112 0.126 142 HD22 LEU 19 HD22 LEU 19 -0.619 -7.633 -0.466 143 HD23 LEU 19 HD23 LEU 19 -1.203 -7.513 1.216 144 H ASN 20 HN ASN 20 -6.072 -10.170 -2.139 145 HA ASN 20 HA ASN 20 -6.850 -7.488 -2.333 146 HB2 ASN 20 HB2 ASN 20 -7.408 -7.372 -4.815 147 HB3 ASN 20 HB1 ASN 20 -5.717 -7.296 -4.370 148 HD21 ASN 20 HD21 ASN 20 -4.459 -9.042 -4.642 149 HD22 ASN 20 HD22 ASN 20 -4.767 -10.235 -5.885 150 H GLU 21 HN GLU 21 -7.796 -10.651 -3.625 151 HA GLU 21 HA GLU 21 -10.404 -10.186 -4.214 152 HB2 GLU 21 HB2 GLU 21 -9.101 -12.280 -4.589 153 HB3 GLU 21 HB1 GLU 21 -9.422 -12.716 -2.921 154 HG2 GLU 21 HG2 GLU 21 -11.794 -12.799 -3.356 155 HG3 GLU 21 HG1 GLU 21 -11.533 -12.243 -5.010 156 H ASP 22 HN ASP 22 -9.552 -11.635 -1.035 157 HA ASP 22 HA ASP 22 -11.840 -10.112 0.065 158 HB2 ASP 22 HB2 ASP 22 -12.050 -12.655 0.130 159 HB3 ASP 22 HB1 ASP 22 -10.650 -12.667 1.186 160 H GLU 23 HN GLU 23 -8.805 -9.997 -0.326 161 HA GLU 23 HA GLU 23 -7.757 -9.764 2.395 162 HB2 GLU 23 HB2 GLU 23 -6.259 -9.266 -0.136 163 HB3 GLU 23 HB1 GLU 23 -5.656 -9.854 1.408 164 HG2 GLU 23 HG2 GLU 23 -7.529 -11.348 -0.348 165 HG3 GLU 23 HG1 GLU 23 -5.776 -11.555 -0.448 166 H LEU 24 HN LEU 24 -8.501 -7.811 -0.436 167 HA LEU 24 HA LEU 24 -7.071 -5.511 0.416 168 HB2 LEU 24 HB2 LEU 24 -8.297 -6.312 -1.922 169 HB3 LEU 24 HB1 LEU 24 -9.363 -5.080 -1.321 170 HG LEU 24 HG LEU 24 -7.552 -3.457 -1.270 171 HD11 LEU 24 HD11 LEU 24 -5.398 -4.013 -2.317 172 HD12 LEU 24 HD12 LEU 24 -5.883 -5.696 -2.435 173 HD13 LEU 24 HD13 LEU 24 -5.656 -4.951 -0.851 174 HD21 LEU 24 HD21 LEU 24 -7.258 -3.250 -3.661 175 HD22 LEU 24 HD22 LEU 24 -8.921 -3.709 -3.281 176 HD23 LEU 24 HD23 LEU 24 -7.782 -4.918 -3.879 177 H LYS 25 HN LYS 25 -10.139 -6.833 1.007 178 HA LYS 25 HA LYS 25 -11.647 -4.655 1.894 179 HB2 LYS 25 HB2 LYS 25 -11.593 -7.499 2.898 180 HB3 LYS 25 HB1 LYS 25 -12.900 -6.348 3.152 181 HG2 LYS 25 HG2 LYS 25 -13.436 -6.323 0.840 182 HG3 LYS 25 HG1 LYS 25 -11.980 -7.235 0.434 183 HD2 LYS 25 HD2 LYS 25 -12.776 -9.132 1.595 184 HD3 LYS 25 HD1 LYS 25 -14.219 -8.277 2.165 185 HE2 LYS 25 HE2 LYS 25 -14.885 -8.002 -0.223 186 HE3 LYS 25 HE1 LYS 25 -13.486 -8.965 -0.689 187 HZ1 LYS 25 HZ1 LYS 25 -15.361 -10.402 -0.599 188 HZ2 LYS 25 HZ2 LYS 25 -15.804 -9.843 0.920 189 HZ3 LYS 25 HZ3 LYS 25 -14.409 -10.760 0.748 190 H SER 26 HN SER 26 -9.333 -6.806 3.586 191 HA SER 26 HA SER 26 -9.464 -5.796 6.107 192 HB2 SER 26 HB2 SER 26 -7.199 -6.911 4.505 193 HB3 SER 26 HB1 SER 26 -7.353 -6.915 6.247 194 HG SER 26 HG SER 26 -9.257 -8.246 5.931 195 H PHE 27 HN PHE 27 -7.148 -5.247 3.499 196 HA PHE 27 HA PHE 27 -5.491 -3.397 4.643 197 HB2 PHE 27 HB2 PHE 27 -5.038 -4.645 2.611 198 HB3 PHE 27 HB1 PHE 27 -6.270 -3.746 1.757 199 HD1 PHE 27 HD2 PHE 27 -5.797 -1.190 1.427 200 HD2 PHE 27 HD1 PHE 27 -2.819 -3.963 2.667 201 HE1 PHE 27 HE2 PHE 27 -4.040 0.390 0.746 202 HE2 PHE 27 HE1 PHE 27 -1.060 -2.388 1.986 203 HZ PHE 27 HZ PHE 27 -1.668 -0.207 1.023 204 H LYS 28 HN LYS 28 -8.322 -2.733 2.559 205 HA LYS 28 HA LYS 28 -8.197 0.060 2.429 206 HB2 LYS 28 HB2 LYS 28 -10.593 -1.760 2.391 207 HB3 LYS 28 HB1 LYS 28 -10.661 -0.054 1.984 208 HG2 LYS 28 HG2 LYS 28 -9.313 -0.395 0.053 209 HG3 LYS 28 HG1 LYS 28 -8.947 -2.056 0.543 210 HD2 LYS 28 HD2 LYS 28 -11.327 -2.633 0.313 211 HD3 LYS 28 HD1 LYS 28 -11.670 -0.985 -0.214 212 HE2 LYS 28 HE2 LYS 28 -10.245 -1.275 -2.145 213 HE3 LYS 28 HE1 LYS 28 -9.784 -2.878 -1.585 214 HZ1 LYS 28 HZ1 LYS 28 -12.610 -2.189 -2.173 215 HZ2 LYS 28 HZ2 LYS 28 -11.915 -3.723 -2.112 216 HZ3 LYS 28 HZ3 LYS 28 -11.553 -2.661 -3.366 217 H SER 29 HN SER 29 -9.606 -2.023 4.862 218 HA SER 29 HA SER 29 -10.913 0.020 6.269 219 HB2 SER 29 HB2 SER 29 -10.206 -2.787 6.528 220 HB3 SER 29 HB1 SER 29 -11.096 -1.993 7.799 221 HG SER 29 HG SER 29 -11.937 -3.054 5.493 222 H LEU 30 HN LEU 30 -8.157 -2.036 6.767 223 HA LEU 30 HA LEU 30 -7.308 -1.072 9.256 224 HB2 LEU 30 HB2 LEU 30 -5.701 -2.347 7.080 225 HB3 LEU 30 HB1 LEU 30 -5.141 -2.107 8.725 226 HG LEU 30 HG LEU 30 -7.572 -3.726 8.017 227 HD11 LEU 30 HD11 LEU 30 -4.744 -4.613 8.581 228 HD12 LEU 30 HD12 LEU 30 -5.544 -4.644 7.018 229 HD13 LEU 30 HD13 LEU 30 -6.128 -5.685 8.327 230 HD21 LEU 30 HD21 LEU 30 -7.261 -4.640 10.281 231 HD22 LEU 30 HD22 LEU 30 -7.537 -2.902 10.313 232 HD23 LEU 30 HD23 LEU 30 -5.907 -3.538 10.532 233 H LEU 31 HN LEU 31 -6.408 0.103 5.997 234 HA LEU 31 HA LEU 31 -4.554 1.934 7.247 235 HB2 LEU 31 HB2 LEU 31 -3.695 2.361 5.157 236 HB3 LEU 31 HB1 LEU 31 -4.569 0.922 4.754 237 HG LEU 31 HG LEU 31 -5.728 3.678 4.320 238 HD11 LEU 31 HD11 LEU 31 -5.001 3.454 1.995 239 HD12 LEU 31 HD12 LEU 31 -4.138 1.971 2.414 240 HD13 LEU 31 HD13 LEU 31 -3.631 3.513 3.104 241 HD21 LEU 31 HD21 LEU 31 -7.311 1.820 4.291 242 HD22 LEU 31 HD22 LEU 31 -6.314 1.001 3.087 243 HD23 LEU 31 HD23 LEU 31 -7.110 2.524 2.685 244 H TRP 32 HN TRP 32 -7.773 1.830 7.109 245 HA TRP 32 HA TRP 32 -8.129 4.689 6.985 246 HB2 TRP 32 HB2 TRP 32 -9.694 2.575 6.223 247 HB3 TRP 32 HB1 TRP 32 -10.406 3.016 7.772 248 HD1 TRP 32 HD1 TRP 32 -12.129 4.929 7.670 249 HE1 TRP 32 HE1 TRP 32 -12.737 6.722 5.916 250 HE3 TRP 32 HE3 TRP 32 -8.411 4.060 4.365 251 HZ2 TRP 32 HZ2 TRP 32 -11.746 7.634 3.428 252 HZ3 TRP 32 HZ3 TRP 32 -8.278 5.420 2.290 253 HH2 TRP 32 HH2 TRP 32 -9.926 7.174 1.845 254 H ALA 33 HN ALA 33 -7.086 2.477 9.144 255 HA ALA 33 HA ALA 33 -8.557 3.410 11.473 256 HB1 ALA 33 HB1 ALA 33 -8.065 1.011 11.256 257 HB2 ALA 33 HB2 ALA 33 -7.343 1.702 12.708 258 HB3 ALA 33 HB3 ALA 33 -6.340 1.371 11.297 259 H PHE 34 HN PHE 34 -5.504 3.929 9.892 260 HA PHE 34 HA PHE 34 -4.339 5.074 12.250 261 HB2 PHE 34 HB2 PHE 34 -2.337 5.450 10.889 262 HB3 PHE 34 HB1 PHE 34 -2.926 3.827 10.609 263 HD1 PHE 34 HD1 PHE 34 -3.467 7.215 9.086 264 HD2 PHE 34 HD2 PHE 34 -2.635 3.092 8.486 265 HE1 PHE 34 HE1 PHE 34 -3.324 7.605 6.670 266 HE2 PHE 34 HE2 PHE 34 -2.484 3.483 6.067 267 HZ PHE 34 HZ PHE 34 -2.857 5.753 5.157 268 HA PRO 35 HA PRO 35 -5.607 9.220 11.297 269 HB2 PRO 35 HB2 PRO 35 -3.527 10.681 12.265 270 HB3 PRO 35 HB1 PRO 35 -4.699 9.894 13.325 271 HG2 PRO 35 HG2 PRO 35 -1.936 9.044 12.600 272 HG3 PRO 35 HG1 PRO 35 -2.780 8.916 14.148 273 HD2 PRO 35 HD2 PRO 35 -2.480 6.823 12.399 274 HD3 PRO 35 HD1 PRO 35 -3.799 6.952 13.569 275 H LEU 36 HN LEU 36 -5.654 9.751 9.231 276 HA LEU 36 HA LEU 36 -3.495 9.622 7.414 277 HB2 LEU 36 HB2 LEU 36 -6.154 10.998 7.375 278 HB3 LEU 36 HB1 LEU 36 -5.060 11.073 6.022 279 HG LEU 36 HG LEU 36 -5.232 8.565 5.845 280 HD11 LEU 36 HD11 LEU 36 -7.488 8.892 7.784 281 HD12 LEU 36 HD12 LEU 36 -5.975 8.017 8.056 282 HD13 LEU 36 HD13 LEU 36 -7.123 7.438 6.851 283 HD21 LEU 36 HD21 LEU 36 -7.447 8.596 4.780 284 HD22 LEU 36 HD22 LEU 36 -6.464 10.005 4.359 285 HD23 LEU 36 HD23 LEU 36 -7.758 10.159 5.537 286 H GLU 37 HN GLU 37 -2.131 11.241 6.704 287 HA GLU 37 HA GLU 37 -2.101 13.574 8.479 288 HB2 GLU 37 HB2 GLU 37 0.263 12.149 7.287 289 HB3 GLU 37 HB1 GLU 37 0.303 13.477 8.444 290 HG2 GLU 37 HG2 GLU 37 -0.827 12.029 10.101 291 HG3 GLU 37 HG1 GLU 37 -0.830 10.740 8.921 292 H ASP 38 HN ASP 38 -2.795 15.225 7.351 293 HA ASP 38 HA ASP 38 -2.809 17.029 6.015 294 HB2 ASP 38 HB2 ASP 38 -0.489 17.205 6.704 295 HB3 ASP 38 HB1 ASP 38 0.001 16.180 5.362 296 H VAL 39 HN VAL 39 -0.811 15.020 3.898 297 HA VAL 39 HA VAL 39 -2.240 15.810 1.533 298 HB VAL 39 HB VAL 39 -0.364 13.438 1.834 299 HG11 VAL 39 HG11 VAL 39 0.038 13.737 -0.573 300 HG12 VAL 39 HG12 VAL 39 -1.172 15.020 -0.607 301 HG13 VAL 39 HG13 VAL 39 -1.648 13.366 -0.218 302 HG21 VAL 39 HG21 VAL 39 1.430 14.918 1.045 303 HG22 VAL 39 HG22 VAL 39 0.759 15.453 2.587 304 HG23 VAL 39 HG23 VAL 39 0.313 16.282 1.097 305 H LEU 40 HN LEU 40 -2.318 13.206 3.749 306 HA LEU 40 HA LEU 40 -4.513 12.004 2.281 307 HB2 LEU 40 HB2 LEU 40 -2.868 11.004 4.613 308 HB3 LEU 40 HB1 LEU 40 -4.333 10.219 4.092 309 HG LEU 40 HG LEU 40 -3.247 9.799 1.892 310 HD11 LEU 40 HD11 LEU 40 -0.751 10.730 3.303 311 HD12 LEU 40 HD12 LEU 40 -1.575 11.534 1.967 312 HD13 LEU 40 HD13 LEU 40 -0.826 9.956 1.710 313 HD21 LEU 40 HD21 LEU 40 -1.919 8.654 4.336 314 HD22 LEU 40 HD22 LEU 40 -1.863 7.954 2.720 315 HD23 LEU 40 HD23 LEU 40 -3.402 8.079 3.571 316 H GLN 41 HN GLN 41 -6.466 12.749 2.991 317 HA GLN 41 HA GLN 41 -6.763 13.106 5.871 318 HB2 GLN 41 HB2 GLN 41 -6.396 15.356 4.767 319 HB3 GLN 41 HB1 GLN 41 -7.930 15.095 3.938 320 HG2 GLN 41 HG2 GLN 41 -8.914 14.697 6.232 321 HG3 GLN 41 HG1 GLN 41 -7.430 15.388 6.869 322 HE21 GLN 41 HE21 GLN 41 -10.337 15.966 5.225 323 HE22 GLN 41 HE22 GLN 41 -10.286 17.693 5.238 324 H LYS 42 HN LYS 42 -8.477 13.311 2.784 325 HA LYS 42 HA LYS 42 -10.503 11.638 4.028 326 HB2 LYS 42 HB2 LYS 42 -12.028 12.210 2.196 327 HB3 LYS 42 HB1 LYS 42 -11.455 13.659 2.992 328 HG2 LYS 42 HG2 LYS 42 -10.022 14.181 1.152 329 HG3 LYS 42 HG1 LYS 42 -10.333 12.611 0.402 330 HD2 LYS 42 HD2 LYS 42 -12.704 13.215 0.176 331 HD3 LYS 42 HD1 LYS 42 -12.360 14.794 0.874 332 HE2 LYS 42 HE2 LYS 42 -10.851 15.285 -0.989 333 HE3 LYS 42 HE1 LYS 42 -11.173 13.692 -1.668 334 HZ1 LYS 42 HZ1 LYS 42 -12.488 15.402 -2.732 335 HZ2 LYS 42 HZ2 LYS 42 -13.192 15.823 -1.261 336 HZ3 LYS 42 HZ3 LYS 42 -13.485 14.304 -1.928 337 H THR 43 HN THR 43 -8.481 11.914 1.134 338 HA THR 43 HA THR 43 -7.729 10.455 -0.369 339 HB THR 43 HB THR 43 -8.369 8.351 1.737 340 HG1 THR 43 HG1 THR 43 -6.682 9.018 2.719 341 HG21 THR 43 HG21 THR 43 -6.619 7.015 0.630 342 HG22 THR 43 HG22 THR 43 -6.410 8.277 -0.580 343 HG23 THR 43 HG23 THR 43 -7.924 7.377 -0.499 344 HA PRO 44 HA PRO 44 -11.557 9.600 -2.477 345 HB2 PRO 44 HB2 PRO 44 -10.537 8.420 -4.745 346 HB3 PRO 44 HB1 PRO 44 -10.586 10.165 -4.479 347 HG2 PRO 44 HG2 PRO 44 -8.319 8.255 -4.017 348 HG3 PRO 44 HG1 PRO 44 -8.260 9.838 -4.807 349 HD2 PRO 44 HD2 PRO 44 -7.456 9.565 -2.320 350 HD3 PRO 44 HD1 PRO 44 -8.409 10.981 -2.786 351 H TRP 45 HN TRP 45 -12.364 8.027 -1.028 352 HA TRP 45 HA TRP 45 -11.487 5.342 -0.971 353 HB2 TRP 45 HB2 TRP 45 -12.703 6.274 0.949 354 HB3 TRP 45 HB1 TRP 45 -14.132 6.527 -0.040 355 HD1 TRP 45 HD1 TRP 45 -15.484 4.275 -0.773 356 HE1 TRP 45 HE1 TRP 45 -15.764 2.006 0.411 357 HE3 TRP 45 HE3 TRP 45 -11.534 4.539 2.443 358 HZ2 TRP 45 HZ2 TRP 45 -14.481 0.521 2.429 359 HZ3 TRP 45 HZ3 TRP 45 -11.126 2.652 3.959 360 HH2 TRP 45 HH2 TRP 45 -12.561 0.684 3.964 361 H SER 46 HN SER 46 -13.773 7.007 -3.001 362 HA SER 46 HA SER 46 -15.094 4.742 -4.043 363 HB2 SER 46 HB2 SER 46 -15.820 7.141 -4.369 364 HB3 SER 46 HB1 SER 46 -14.453 7.361 -5.452 365 HG SER 46 HG SER 46 -16.372 5.344 -5.919 366 H GLU 47 HN GLU 47 -12.085 6.361 -4.883 367 HA GLU 47 HA GLU 47 -11.331 4.703 -7.029 368 HB2 GLU 47 HB2 GLU 47 -9.814 6.412 -5.080 369 HB3 GLU 47 HB1 GLU 47 -8.960 5.360 -6.185 370 HG2 GLU 47 HG2 GLU 47 -10.919 7.437 -7.083 371 HG3 GLU 47 HG1 GLU 47 -9.190 7.739 -6.903 372 H VAL 48 HN VAL 48 -10.487 4.663 -3.572 373 HA VAL 48 HA VAL 48 -8.842 2.416 -3.706 374 HB VAL 48 HB VAL 48 -8.652 2.386 -1.407 375 HG11 VAL 48 HG11 VAL 48 -9.512 5.147 -1.965 376 HG12 VAL 48 HG12 VAL 48 -7.883 4.454 -2.105 377 HG13 VAL 48 HG13 VAL 48 -8.655 4.621 -0.520 378 HG21 VAL 48 HG21 VAL 48 -11.476 3.380 -1.118 379 HG22 VAL 48 HG22 VAL 48 -10.343 3.247 0.226 380 HG23 VAL 48 HG23 VAL 48 -10.829 1.806 -0.661 381 H GLU 49 HN GLU 49 -12.308 2.605 -3.335 382 HA GLU 49 HA GLU 49 -12.725 -0.023 -2.413 383 HB2 GLU 49 HB2 GLU 49 -14.285 2.147 -2.696 384 HB3 GLU 49 HB1 GLU 49 -14.865 1.088 -3.988 385 HG2 GLU 49 HG2 GLU 49 -14.513 0.409 -1.134 386 HG3 GLU 49 HG1 GLU 49 -16.067 0.642 -1.939 387 H GLU 50 HN GLU 50 -13.097 1.469 -5.605 388 HA GLU 50 HA GLU 50 -13.752 -1.092 -6.525 389 HB2 GLU 50 HB2 GLU 50 -13.586 1.505 -8.025 390 HB3 GLU 50 HB1 GLU 50 -14.139 -0.003 -8.741 391 HG2 GLU 50 HG2 GLU 50 -15.943 -0.125 -7.100 392 HG3 GLU 50 HG1 GLU 50 -15.389 1.389 -6.392 393 H ALA 51 HN ALA 51 -10.980 0.400 -5.957 394 HA ALA 51 HA ALA 51 -9.395 -0.601 -8.174 395 HB1 ALA 51 HB1 ALA 51 -7.522 0.295 -6.861 396 HB2 ALA 51 HB2 ALA 51 -8.668 0.781 -5.612 397 HB3 ALA 51 HB3 ALA 51 -8.751 1.509 -7.217 398 H ASP 52 HN ASP 52 -8.098 -2.244 -8.075 399 HA ASP 52 HA ASP 52 -7.812 -3.656 -5.587 400 HB2 ASP 52 HB2 ASP 52 -8.173 -5.817 -6.689 401 HB3 ASP 52 HB1 ASP 52 -9.631 -4.840 -6.717 402 H GLY 53 HN GLY 53 -5.940 -4.785 -5.444 403 HA2 GLY 53 HA2 GLY 53 -3.743 -5.200 -5.740 404 HA3 GLY 53 HA1 GLY 53 -4.210 -5.493 -7.404 405 H LYS 54 HN LYS 54 -3.523 -4.196 -8.945 406 HA LYS 54 HA LYS 54 -1.353 -2.456 -8.445 407 HB2 LYS 54 HB2 LYS 54 -1.837 -3.717 -10.605 408 HB3 LYS 54 HB1 LYS 54 -2.971 -2.424 -10.980 409 HG2 LYS 54 HG2 LYS 54 -0.491 -1.266 -10.184 410 HG3 LYS 54 HG1 LYS 54 -0.165 -2.487 -11.377 411 HD2 LYS 54 HD2 LYS 54 -0.414 -0.488 -12.616 412 HD3 LYS 54 HD1 LYS 54 -1.949 -1.326 -12.825 413 HE2 LYS 54 HE2 LYS 54 -3.001 0.079 -11.201 414 HE3 LYS 54 HE1 LYS 54 -1.449 0.787 -10.755 415 HZ1 LYS 54 HZ1 LYS 54 -2.698 2.283 -12.187 416 HZ2 LYS 54 HZ2 LYS 54 -2.808 1.136 -13.393 417 HZ3 LYS 54 HZ3 LYS 54 -1.301 1.767 -12.958 418 H LYS 55 HN LYS 55 -4.742 -1.884 -9.262 419 HA LYS 55 HA LYS 55 -4.439 0.804 -9.677 420 HB2 LYS 55 HB2 LYS 55 -6.708 -0.960 -9.269 421 HB3 LYS 55 HB1 LYS 55 -7.033 0.668 -8.727 422 HG2 LYS 55 HG2 LYS 55 -6.025 -0.012 -11.455 423 HG3 LYS 55 HG1 LYS 55 -7.739 0.164 -11.056 424 HD2 LYS 55 HD2 LYS 55 -5.591 2.309 -10.850 425 HD3 LYS 55 HD1 LYS 55 -6.847 2.216 -12.076 426 HE2 LYS 55 HE2 LYS 55 -8.559 2.501 -10.286 427 HE3 LYS 55 HE1 LYS 55 -7.263 2.689 -9.112 428 HZ1 LYS 55 HZ1 LYS 55 -7.996 4.893 -9.796 429 HZ2 LYS 55 HZ2 LYS 55 -7.846 4.459 -11.408 430 HZ3 LYS 55 HZ3 LYS 55 -6.462 4.602 -10.467 431 H LEU 56 HN LEU 56 -4.942 -1.031 -6.750 432 HA LEU 56 HA LEU 56 -5.585 1.217 -5.161 433 HB2 LEU 56 HB2 LEU 56 -6.190 -1.132 -4.561 434 HB3 LEU 56 HB1 LEU 56 -4.515 -1.439 -4.271 435 HG LEU 56 HG LEU 56 -4.442 0.260 -2.490 436 HD11 LEU 56 HD11 LEU 56 -6.527 1.174 -1.595 437 HD12 LEU 56 HD12 LEU 56 -7.407 0.491 -2.963 438 HD13 LEU 56 HD13 LEU 56 -6.195 1.746 -3.225 439 HD21 LEU 56 HD21 LEU 56 -5.760 -0.960 -0.843 440 HD22 LEU 56 HD22 LEU 56 -4.847 -2.029 -1.907 441 HD23 LEU 56 HD23 LEU 56 -6.583 -1.805 -2.155 442 H ALA 57 HN ALA 57 -2.637 -0.553 -5.854 443 HA ALA 57 HA ALA 57 -0.873 0.773 -4.140 444 HB1 ALA 57 HB1 ALA 57 -0.254 -1.242 -5.384 445 HB2 ALA 57 HB2 ALA 57 0.895 0.060 -5.709 446 HB3 ALA 57 HB3 ALA 57 -0.341 -0.343 -6.897 447 H GLU 58 HN GLU 58 -2.197 1.601 -7.215 448 HA GLU 58 HA GLU 58 -0.608 3.787 -8.013 449 HB2 GLU 58 HB2 GLU 58 -2.141 2.571 -9.473 450 HB3 GLU 58 HB1 GLU 58 -3.501 3.103 -8.509 451 HG2 GLU 58 HG2 GLU 58 -2.926 5.443 -9.182 452 HG3 GLU 58 HG1 GLU 58 -1.758 4.747 -10.311 453 H ILE 59 HN ILE 59 -3.503 3.500 -6.037 454 HA ILE 59 HA ILE 59 -3.948 6.275 -5.750 455 HB ILE 59 HB ILE 59 -4.995 3.923 -4.130 456 HG12 ILE 59 HG12 ILE 59 -6.415 5.470 -6.268 457 HG13 ILE 59 HG11 ILE 59 -5.354 4.123 -6.677 458 HG21 ILE 59 HG21 ILE 59 -5.256 6.050 -2.899 459 HG22 ILE 59 HG22 ILE 59 -6.821 5.487 -3.495 460 HG23 ILE 59 HG23 ILE 59 -5.979 6.788 -4.326 461 HD11 ILE 59 HD11 ILE 59 -7.660 3.477 -6.617 462 HD12 ILE 59 HD12 ILE 59 -7.802 4.009 -4.931 463 HD13 ILE 59 HD13 ILE 59 -6.751 2.656 -5.372 464 H LEU 60 HN LEU 60 -2.168 3.861 -3.955 465 HA LEU 60 HA LEU 60 -1.546 5.411 -1.703 466 HB2 LEU 60 HB2 LEU 60 -0.209 3.047 -2.962 467 HB3 LEU 60 HB1 LEU 60 0.680 3.958 -1.770 468 HG LEU 60 HG LEU 60 -0.289 2.022 -0.747 469 HD11 LEU 60 HD11 LEU 60 -1.764 4.486 0.141 470 HD12 LEU 60 HD12 LEU 60 -0.145 3.989 0.627 471 HD13 LEU 60 HD13 LEU 60 -1.535 3.011 1.079 472 HD21 LEU 60 HD21 LEU 60 -2.720 1.684 -0.584 473 HD22 LEU 60 HD22 LEU 60 -2.139 1.590 -2.242 474 HD23 LEU 60 HD23 LEU 60 -2.958 3.054 -1.676 475 H VAL 61 HN VAL 61 0.249 4.990 -4.780 476 HA VAL 61 HA VAL 61 2.230 6.908 -3.968 477 HB VAL 61 HB VAL 61 3.197 6.704 -6.199 478 HG11 VAL 61 HG11 VAL 61 3.805 5.026 -4.584 479 HG12 VAL 61 HG12 VAL 61 3.725 4.311 -6.196 480 HG13 VAL 61 HG13 VAL 61 2.416 4.044 -5.046 481 HG21 VAL 61 HG21 VAL 61 1.138 6.574 -7.500 482 HG22 VAL 61 HG22 VAL 61 0.833 4.954 -6.869 483 HG23 VAL 61 HG23 VAL 61 2.229 5.247 -7.915 484 H ASN 62 HN ASN 62 -0.830 7.189 -5.185 485 HA ASN 62 HA ASN 62 -0.484 9.603 -6.646 486 HB2 ASN 62 HB2 ASN 62 -2.434 8.227 -7.131 487 HB3 ASN 62 HB1 ASN 62 -2.978 8.329 -5.465 488 HD21 ASN 62 HD21 ASN 62 -4.958 9.090 -6.098 489 HD22 ASN 62 HD22 ASN 62 -5.222 10.694 -6.636 490 H THR 63 HN THR 63 -1.234 8.729 -3.339 491 HA THR 63 HA THR 63 -1.488 11.553 -2.635 492 HB THR 63 HB THR 63 -2.384 10.577 -0.448 493 HG1 THR 63 HG1 THR 63 -2.978 8.258 -1.991 494 HG21 THR 63 HG21 THR 63 -3.990 10.144 -2.989 495 HG22 THR 63 HG22 THR 63 -3.829 11.669 -2.112 496 HG23 THR 63 HG23 THR 63 -4.647 10.311 -1.356 497 H SER 64 HN SER 64 -0.144 8.551 -1.290 498 HA SER 64 HA SER 64 1.207 9.956 0.789 499 HB2 SER 64 HB2 SER 64 1.310 7.077 -0.033 500 HB3 SER 64 HB1 SER 64 1.782 7.752 1.535 501 HG SER 64 HG SER 64 -0.802 8.216 0.555 502 H SER 65 HN SER 65 3.374 10.260 1.056 503 HA SER 65 HA SER 65 5.130 10.237 -1.167 504 HB2 SER 65 HB2 SER 65 5.761 10.527 1.778 505 HB3 SER 65 HB1 SER 65 6.661 11.193 0.409 506 HG SER 65 HG SER 65 4.761 12.412 -0.088 507 H GLU 66 HN GLU 66 6.715 8.673 -1.589 508 HA GLU 66 HA GLU 66 6.276 6.028 -0.930 509 HB2 GLU 66 HB2 GLU 66 8.501 5.558 -1.894 510 HB3 GLU 66 HB1 GLU 66 7.524 6.623 -2.895 511 HG2 GLU 66 HG2 GLU 66 8.730 8.515 -2.113 512 HG3 GLU 66 HG1 GLU 66 9.679 7.497 -1.018 513 H ASN 67 HN ASN 67 8.463 8.280 0.654 514 HA ASN 67 HA ASN 67 9.815 6.375 2.279 515 HB2 ASN 67 HB2 ASN 67 10.632 8.704 1.717 516 HB3 ASN 67 HB1 ASN 67 9.419 9.331 2.819 517 HD21 ASN 67 HD21 ASN 67 11.492 6.493 3.231 518 HD22 ASN 67 HD22 ASN 67 12.297 7.093 4.640 519 H TRP 68 HN TRP 68 6.755 7.749 2.441 520 HA TRP 68 HA TRP 68 6.400 7.131 5.259 521 HB2 TRP 68 HB2 TRP 68 5.504 9.239 4.244 522 HB3 TRP 68 HB1 TRP 68 4.491 8.263 3.201 523 HD1 TRP 68 HD1 TRP 68 4.784 9.545 6.762 524 HE1 TRP 68 HE1 TRP 68 2.496 9.205 7.949 525 HE3 TRP 68 HE3 TRP 68 2.440 6.654 3.267 526 HZ2 TRP 68 HZ2 TRP 68 0.102 7.905 7.474 527 HZ3 TRP 68 HZ3 TRP 68 0.148 5.918 3.716 528 HH2 TRP 68 HH2 TRP 68 -0.986 6.527 5.778 529 H ILE 69 HN ILE 69 5.269 6.230 2.012 530 HA ILE 69 HA ILE 69 3.368 4.284 2.699 531 HB ILE 69 HB ILE 69 5.112 4.075 0.222 532 HG12 ILE 69 HG12 ILE 69 2.530 5.595 0.551 533 HG13 ILE 69 HG11 ILE 69 4.117 6.353 0.443 534 HG21 ILE 69 HG21 ILE 69 2.266 3.205 0.797 535 HG22 ILE 69 HG22 ILE 69 3.661 2.140 0.737 536 HG23 ILE 69 HG23 ILE 69 3.122 2.973 -0.728 537 HD11 ILE 69 HD11 ILE 69 4.381 5.439 -1.827 538 HD12 ILE 69 HD12 ILE 69 2.960 6.469 -1.685 539 HD13 ILE 69 HD13 ILE 69 2.778 4.715 -1.705 540 H ARG 70 HN ARG 70 6.860 4.015 2.266 541 HA ARG 70 HA ARG 70 7.108 1.247 2.279 542 HB2 ARG 70 HB2 ARG 70 9.468 1.593 2.978 543 HB3 ARG 70 HB1 ARG 70 8.972 2.650 1.668 544 HG2 ARG 70 HG2 ARG 70 8.956 4.522 2.983 545 HG3 ARG 70 HG1 ARG 70 8.874 3.591 4.476 546 HD2 ARG 70 HD2 ARG 70 11.217 3.374 2.636 547 HD3 ARG 70 HD1 ARG 70 11.124 4.664 3.846 548 HE ARG 70 HE ARG 70 10.576 2.288 5.141 549 HH11 ARG 70 HH11 ARG 70 13.395 3.496 3.326 550 HH12 ARG 70 HH12 ARG 70 14.507 2.892 4.463 551 HH21 ARG 70 HH21 ARG 70 12.156 1.408 6.620 552 HH22 ARG 70 HH22 ARG 70 13.814 1.677 6.305 553 H ASN 71 HN ASN 71 6.332 3.288 4.921 554 HA ASN 71 HA ASN 71 6.842 1.074 6.785 555 HB2 ASN 71 HB2 ASN 71 7.680 3.299 7.504 556 HB3 ASN 71 HB1 ASN 71 6.055 3.948 7.362 557 HD21 ASN 71 HD21 ASN 71 4.544 3.496 8.959 558 HD22 ASN 71 HD22 ASN 71 4.939 2.740 10.456 559 H ALA 72 HN ALA 72 4.391 3.212 5.511 560 HA ALA 72 HA ALA 72 2.192 2.530 6.988 561 HB1 ALA 72 HB1 ALA 72 2.299 4.385 5.414 562 HB2 ALA 72 HB2 ALA 72 0.865 3.386 5.190 563 HB3 ALA 72 HB3 ALA 72 2.220 3.235 4.076 564 H THR 73 HN THR 73 3.042 1.185 3.773 565 HA THR 73 HA THR 73 0.879 -0.618 3.734 566 HB THR 73 HB THR 73 2.065 0.102 1.635 567 HG1 THR 73 HG1 THR 73 2.421 -2.574 1.357 568 HG21 THR 73 HG21 THR 73 4.146 -1.019 0.961 569 HG22 THR 73 HG22 THR 73 4.240 -1.789 2.544 570 HG23 THR 73 HG23 THR 73 4.387 -0.036 2.408 571 H VAL 74 HN VAL 74 4.201 -1.008 4.783 572 HA VAL 74 HA VAL 74 4.252 -3.754 5.118 573 HB VAL 74 HB VAL 74 5.737 -1.546 6.563 574 HG11 VAL 74 HG11 VAL 74 5.621 -3.495 8.048 575 HG12 VAL 74 HG12 VAL 74 7.253 -3.268 7.421 576 HG13 VAL 74 HG13 VAL 74 6.215 -4.522 6.744 577 HG21 VAL 74 HG21 VAL 74 6.556 -3.526 4.440 578 HG22 VAL 74 HG22 VAL 74 7.627 -2.374 5.214 579 HG23 VAL 74 HG23 VAL 74 6.297 -1.795 4.204 580 H ASN 75 HN ASN 75 3.425 -1.233 7.461 581 HA ASN 75 HA ASN 75 2.863 -3.000 9.592 582 HB2 ASN 75 HB2 ASN 75 3.232 -0.475 9.714 583 HB3 ASN 75 HB1 ASN 75 1.564 -0.303 9.204 584 HD21 ASN 75 HD21 ASN 75 -0.126 -0.781 10.695 585 HD22 ASN 75 HD22 ASN 75 0.235 -1.110 12.348 586 H ILE 76 HN ILE 76 0.873 -1.777 6.986 587 HA ILE 76 HA ILE 76 -1.579 -2.786 8.017 588 HB ILE 76 HB ILE 76 -0.932 -2.320 5.084 589 HG12 ILE 76 HG12 ILE 76 -0.512 -0.281 6.398 590 HG13 ILE 76 HG11 ILE 76 -1.905 -0.088 5.348 591 HG21 ILE 76 HG21 ILE 76 -3.577 -2.412 6.546 592 HG22 ILE 76 HG22 ILE 76 -2.960 -3.640 5.449 593 HG23 ILE 76 HG23 ILE 76 -3.367 -2.040 4.833 594 HD11 ILE 76 HD11 ILE 76 -3.384 -0.436 7.269 595 HD12 ILE 76 HD12 ILE 76 -2.286 0.921 7.507 596 HD13 ILE 76 HD13 ILE 76 -1.970 -0.617 8.318 597 H LEU 77 HN LEU 77 0.851 -4.179 5.802 598 HA LEU 77 HA LEU 77 -0.559 -6.592 5.416 599 HB2 LEU 77 HB2 LEU 77 2.383 -6.007 5.207 600 HB3 LEU 77 HB1 LEU 77 1.748 -7.622 4.991 601 HG LEU 77 HG LEU 77 0.217 -6.088 3.265 602 HD11 LEU 77 HD11 LEU 77 1.810 -4.882 1.903 603 HD12 LEU 77 HD12 LEU 77 3.078 -5.209 3.087 604 HD13 LEU 77 HD13 LEU 77 1.693 -4.207 3.528 605 HD21 LEU 77 HD21 LEU 77 1.458 -7.258 1.532 606 HD22 LEU 77 HD22 LEU 77 1.033 -8.308 2.890 607 HD23 LEU 77 HD23 LEU 77 2.684 -7.708 2.722 608 H GLU 78 HN GLU 78 1.716 -5.579 7.845 609 HA GLU 78 HA GLU 78 1.855 -7.991 9.252 610 HB2 GLU 78 HB2 GLU 78 2.186 -5.145 10.220 611 HB3 GLU 78 HB1 GLU 78 2.708 -6.532 11.155 612 HG2 GLU 78 HG2 GLU 78 4.157 -7.146 9.179 613 HG3 GLU 78 HG1 GLU 78 3.738 -5.593 8.496 614 H GLU 79 HN GLU 79 -0.424 -5.321 9.431 615 HA GLU 79 HA GLU 79 -2.010 -6.239 11.588 616 HB2 GLU 79 HB2 GLU 79 -2.674 -4.546 9.224 617 HB3 GLU 79 HB1 GLU 79 -3.825 -4.840 10.514 618 HG2 GLU 79 HG2 GLU 79 -1.159 -3.472 10.814 619 HG3 GLU 79 HG1 GLU 79 -2.709 -2.650 10.666 620 H MET 80 HN MET 80 -1.832 -7.173 8.247 621 HA MET 80 HA MET 80 -4.386 -8.562 8.354 622 HB2 MET 80 HB2 MET 80 -2.425 -8.133 6.103 623 HB3 MET 80 HB1 MET 80 -3.839 -9.165 5.943 624 HG2 MET 80 HG2 MET 80 -5.270 -7.254 6.474 625 HG3 MET 80 HG1 MET 80 -3.847 -6.229 6.586 626 HE1 MET 80 HE1 MET 80 -2.395 -5.476 4.520 627 HE2 MET 80 HE2 MET 80 -2.610 -6.109 2.886 628 HE3 MET 80 HE3 MET 80 -2.061 -7.173 4.179 629 H ASN 81 HN ASN 81 -1.623 -9.288 9.647 630 HA ASN 81 HA ASN 81 -0.667 -11.192 10.452 631 HB2 ASN 81 HB2 ASN 81 -3.049 -11.953 10.760 632 HB3 ASN 81 HB1 ASN 81 -3.010 -12.648 9.151 633 HD21 ASN 81 HD21 ASN 81 -3.445 -14.705 9.876 634 HD22 ASN 81 HD22 ASN 81 -2.300 -15.656 10.753 635 H LEU 82 HN LEU 82 -0.332 -10.171 7.633 636 HA LEU 82 HA LEU 82 0.471 -12.529 6.172 637 HB2 LEU 82 HB2 LEU 82 0.608 -9.602 5.492 638 HB3 LEU 82 HB1 LEU 82 1.055 -10.898 4.394 639 HG LEU 82 HG LEU 82 -1.709 -10.372 5.496 640 HD11 LEU 82 HD11 LEU 82 -2.277 -9.700 3.242 641 HD12 LEU 82 HD12 LEU 82 -0.635 -10.033 2.705 642 HD13 LEU 82 HD13 LEU 82 -0.931 -8.727 3.844 643 HD21 LEU 82 HD21 LEU 82 -0.724 -12.423 3.525 644 HD22 LEU 82 HD22 LEU 82 -2.415 -12.064 3.854 645 HD23 LEU 82 HD23 LEU 82 -1.398 -12.742 5.129 646 H THR 83 HN THR 83 2.462 -13.296 6.128 647 HA THR 83 HA THR 83 4.597 -11.633 7.234 648 HB THR 83 HB THR 83 5.679 -13.985 7.496 649 HG1 THR 83 HG1 THR 83 3.157 -14.932 8.061 650 HG21 THR 83 HG21 THR 83 4.708 -14.192 9.739 651 HG22 THR 83 HG22 THR 83 3.465 -13.011 9.272 652 HG23 THR 83 HG23 THR 83 5.169 -12.534 9.336 653 H GLU 84 HN GLU 84 3.837 -14.188 5.000 654 HA GLU 84 HA GLU 84 6.210 -14.476 3.707 655 HB2 GLU 84 HB2 GLU 84 4.774 -15.268 1.723 656 HB3 GLU 84 HB1 GLU 84 4.603 -16.102 3.253 657 HG2 GLU 84 HG2 GLU 84 2.725 -13.882 2.584 658 HG3 GLU 84 HG1 GLU 84 2.471 -15.473 1.848 659 H LEU 85 HN LEU 85 3.616 -12.589 2.161 660 HA LEU 85 HA LEU 85 5.521 -11.376 0.447 661 HB2 LEU 85 HB2 LEU 85 3.686 -10.086 -0.506 662 HB3 LEU 85 HB1 LEU 85 3.301 -11.781 -0.421 663 HG LEU 85 HG LEU 85 2.218 -9.685 1.482 664 HD11 LEU 85 HD11 LEU 85 0.945 -10.980 -0.908 665 HD12 LEU 85 HD12 LEU 85 1.453 -9.295 -0.785 666 HD13 LEU 85 HD13 LEU 85 0.142 -9.896 0.229 667 HD21 LEU 85 HD21 LEU 85 1.505 -12.588 1.040 668 HD22 LEU 85 HD22 LEU 85 0.499 -11.455 1.918 669 HD23 LEU 85 HD23 LEU 85 2.106 -11.841 2.527 670 H CYS 86 HN CYS 86 4.373 -10.594 3.532 671 HA CYS 86 HA CYS 86 4.826 -7.778 3.393 672 HB2 CYS 86 HB2 CYS 86 3.432 -8.847 5.124 673 HB3 CYS 86 HB1 CYS 86 4.884 -9.654 5.693 674 HG CYS 86 HG CYS 86 5.182 -7.877 7.538 675 H LYS 87 HN LYS 87 6.738 -10.568 4.395 676 HA LYS 87 HA LYS 87 9.086 -9.189 5.115 677 HB2 LYS 87 HB2 LYS 87 8.580 -12.012 4.182 678 HB3 LYS 87 HB1 LYS 87 10.151 -11.452 4.743 679 HG2 LYS 87 HG2 LYS 87 9.406 -11.161 6.934 680 HG3 LYS 87 HG1 LYS 87 7.705 -11.149 6.460 681 HD2 LYS 87 HD2 LYS 87 8.271 -13.235 7.584 682 HD3 LYS 87 HD1 LYS 87 7.875 -13.530 5.895 683 HE2 LYS 87 HE2 LYS 87 9.762 -14.841 6.481 684 HE3 LYS 87 HE1 LYS 87 10.273 -13.544 5.386 685 HZ1 LYS 87 HZ1 LYS 87 10.607 -13.478 8.340 686 HZ2 LYS 87 HZ2 LYS 87 11.188 -12.337 7.248 687 HZ3 LYS 87 HZ3 LYS 87 11.808 -13.893 7.245 688 H MET 88 HN MET 88 7.724 -10.116 2.086 689 HA MET 88 HA MET 88 10.012 -9.713 0.468 690 HB2 MET 88 HB2 MET 88 8.024 -10.920 -0.322 691 HB3 MET 88 HB1 MET 88 7.055 -9.480 -0.118 692 HG2 MET 88 HG2 MET 88 8.329 -8.346 -1.851 693 HG3 MET 88 HG1 MET 88 9.311 -9.791 -2.077 694 HE1 MET 88 HE1 MET 88 6.696 -12.353 -3.504 695 HE2 MET 88 HE2 MET 88 7.139 -12.135 -1.814 696 HE3 MET 88 HE3 MET 88 8.382 -12.081 -3.066 697 H ALA 89 HN ALA 89 7.256 -7.736 1.382 698 HA ALA 89 HA ALA 89 7.973 -5.354 0.103 699 HB1 ALA 89 HB1 ALA 89 5.765 -5.835 1.160 700 HB2 ALA 89 HB2 ALA 89 6.399 -4.239 1.545 701 HB3 ALA 89 HB3 ALA 89 6.504 -5.538 2.731 702 H LYS 90 HN LYS 90 8.655 -6.443 3.385 703 HA LYS 90 HA LYS 90 9.992 -4.093 4.237 704 HB2 LYS 90 HB2 LYS 90 10.292 -6.911 5.325 705 HB3 LYS 90 HB1 LYS 90 10.703 -5.422 6.174 706 HG2 LYS 90 HG2 LYS 90 8.374 -4.740 6.146 707 HG3 LYS 90 HG1 LYS 90 7.943 -6.178 5.241 708 HD2 LYS 90 HD2 LYS 90 7.317 -6.576 7.495 709 HD3 LYS 90 HD1 LYS 90 8.773 -7.525 7.216 710 HE2 LYS 90 HE2 LYS 90 10.114 -5.894 8.361 711 HE3 LYS 90 HE1 LYS 90 8.737 -4.798 8.470 712 HZ1 LYS 90 HZ1 LYS 90 8.864 -7.470 9.770 713 HZ2 LYS 90 HZ2 LYS 90 7.638 -6.315 9.994 714 HZ3 LYS 90 HZ3 LYS 90 9.199 -6.022 10.549 715 H ALA 91 HN ALA 91 11.065 -6.860 2.460 716 HA ALA 91 HA ALA 91 13.833 -6.092 2.795 717 HB1 ALA 91 HB1 ALA 91 12.688 -8.357 1.170 718 HB2 ALA 91 HB2 ALA 91 13.202 -8.487 2.843 719 HB3 ALA 91 HB3 ALA 91 14.385 -8.117 1.585 720 H GLU 92 HN GLU 92 11.340 -5.796 0.471 721 HA GLU 92 HA GLU 92 13.278 -4.978 -1.561 722 HB2 GLU 92 HB2 GLU 92 10.444 -5.678 -1.640 723 HB3 GLU 92 HB1 GLU 92 11.277 -5.153 -3.111 724 HG2 GLU 92 HG2 GLU 92 12.855 -7.157 -2.040 725 HG3 GLU 92 HG1 GLU 92 11.247 -7.679 -1.616 726 H MET 93 HN MET 93 10.382 -3.715 0.041 727 HA MET 93 HA MET 93 10.295 -1.458 -1.748 728 HB2 MET 93 HB2 MET 93 8.328 -2.599 -0.448 729 HB3 MET 93 HB1 MET 93 8.838 -1.504 0.836 730 HG2 MET 93 HG2 MET 93 8.775 0.273 -1.126 731 HG3 MET 93 HG1 MET 93 7.784 -0.997 -1.793 732 HE1 MET 93 HE1 MET 93 5.461 1.992 -0.421 733 HE2 MET 93 HE2 MET 93 6.159 1.302 -1.890 734 HE3 MET 93 HE3 MET 93 7.180 2.180 -0.754 735 H MET 94 HN MET 94 11.475 -2.147 1.428 736 HA MET 94 HA MET 94 11.807 0.656 2.025 737 HB2 MET 94 HB2 MET 94 12.683 -1.721 3.667 738 HB3 MET 94 HB1 MET 94 12.656 -0.046 4.195 739 HG2 MET 94 HG2 MET 94 10.144 -0.128 3.745 740 HG3 MET 94 HG1 MET 94 10.348 -1.872 3.648 741 HE1 MET 94 HE1 MET 94 12.740 -2.172 5.910 742 HE2 MET 94 HE2 MET 94 11.416 -3.316 5.703 743 HE3 MET 94 HE3 MET 94 11.741 -2.620 7.294 744 H GLU 95 HN GLU 95 13.745 1.732 2.058 745 HA GLU 95 HA GLU 95 15.876 0.876 0.503 746 HB2 GLU 95 HB2 GLU 95 15.768 2.919 2.724 747 HB3 GLU 95 HB1 GLU 95 17.210 2.639 1.772 748 HG2 GLU 95 HG2 GLU 95 16.014 4.598 0.995 749 HG3 GLU 95 HG1 GLU 95 16.024 3.345 -0.242 750 H ASP 96 HN ASP 96 17.394 -0.532 0.839 751 HA ASP 96 HA ASP 96 17.522 -2.057 3.215 752 HB2 ASP 96 HB2 ASP 96 18.030 -3.052 1.056 753 HB3 ASP 96 HB1 ASP 96 19.366 -1.935 0.825 754 H GLY 97 HN GLY 97 19.174 -2.152 4.765 755 HA2 GLY 97 HA2 GLY 97 20.701 0.346 4.902 756 HA3 GLY 97 HA1 GLY 97 20.018 -0.467 6.299 757 H GLN 98 HN GLN 98 22.312 -1.011 3.641 758 HA GLN 98 HA GLN 98 23.808 -2.966 5.080 759 HB2 GLN 98 HB2 GLN 98 24.550 -1.197 2.749 760 HB3 GLN 98 HB1 GLN 98 25.662 -2.369 3.436 761 HG2 GLN 98 HG2 GLN 98 24.178 -4.159 2.816 762 HG3 GLN 98 HG1 GLN 98 22.986 -3.015 2.207 763 HE21 GLN 98 HE21 GLN 98 23.483 -1.857 0.332 764 HE22 GLN 98 HE22 GLN 98 24.687 -2.387 -0.783 Start of MODEL 15 1 H MET 3 HT1 MET 3 11.454 5.256 -5.131 2 HA MET 3 HA MET 3 13.684 5.975 -4.956 3 HB2 MET 3 HB2 MET 3 14.533 3.757 -4.080 4 HB3 MET 3 HB1 MET 3 14.414 3.125 -5.711 5 HG2 MET 3 HG2 MET 3 16.107 4.649 -6.477 6 HG3 MET 3 HG1 MET 3 16.127 5.450 -4.908 7 HE1 MET 3 HE1 MET 3 18.760 5.202 -4.725 8 HE2 MET 3 HE2 MET 3 18.807 4.420 -6.304 9 HE3 MET 3 HE3 MET 3 19.622 3.678 -4.931 10 H THR 4 HN THR 4 13.047 3.335 -7.356 11 HA THR 4 HA THR 4 12.888 5.457 -9.341 12 HB THR 4 HB THR 4 12.969 3.295 -10.843 13 HG1 THR 4 HG1 THR 4 13.919 1.624 -9.998 14 HG21 THR 4 HG21 THR 4 14.536 5.151 -11.045 15 HG22 THR 4 HG22 THR 4 15.429 3.632 -11.092 16 HG23 THR 4 HG23 THR 4 15.405 4.599 -9.617 17 H SER 5 HN SER 5 11.032 5.726 -10.422 18 HA SER 5 HA SER 5 8.727 4.962 -9.156 19 HB2 SER 5 HB2 SER 5 7.597 5.874 -11.315 20 HB3 SER 5 HB1 SER 5 8.554 6.955 -10.303 21 HG SER 5 HG SER 5 8.899 6.263 -12.861 22 HA PRO 6 HA PRO 6 7.704 1.633 -12.520 23 HB2 PRO 6 HB2 PRO 6 9.820 0.388 -13.659 24 HB3 PRO 6 HB1 PRO 6 8.965 1.736 -14.431 25 HG2 PRO 6 HG2 PRO 6 11.534 1.729 -12.889 26 HG3 PRO 6 HG1 PRO 6 11.127 2.605 -14.376 27 HD2 PRO 6 HD2 PRO 6 11.136 3.799 -11.971 28 HD3 PRO 6 HD1 PRO 6 9.983 4.256 -13.234 29 H GLN 7 HN GLN 7 10.307 1.587 -10.281 30 HA GLN 7 HA GLN 7 9.931 -1.260 -9.836 31 HB2 GLN 7 HB2 GLN 7 12.013 0.652 -8.802 32 HB3 GLN 7 HB1 GLN 7 11.759 -0.892 -8.020 33 HG2 GLN 7 HG2 GLN 7 13.644 -0.993 -9.527 34 HG3 GLN 7 HG1 GLN 7 12.349 -2.034 -10.098 35 HE21 GLN 7 HE21 GLN 7 11.408 -1.607 -12.024 36 HE22 GLN 7 HE22 GLN 7 11.990 -0.422 -13.125 37 H LEU 8 HN LEU 8 9.615 1.851 -8.370 38 HA LEU 8 HA LEU 8 8.995 1.240 -5.753 39 HB2 LEU 8 HB2 LEU 8 9.626 3.446 -6.782 40 HB3 LEU 8 HB1 LEU 8 8.003 3.558 -7.406 41 HG LEU 8 HG LEU 8 8.519 4.939 -5.358 42 HD11 LEU 8 HD11 LEU 8 6.428 4.576 -4.261 43 HD12 LEU 8 HD12 LEU 8 6.298 2.959 -4.961 44 HD13 LEU 8 HD13 LEU 8 6.185 4.372 -6.006 45 HD21 LEU 8 HD21 LEU 8 8.538 2.239 -4.050 46 HD22 LEU 8 HD22 LEU 8 8.516 3.786 -3.224 47 HD23 LEU 8 HD23 LEU 8 9.906 3.343 -4.218 48 H GLU 9 HN GLU 9 6.732 2.155 -8.340 49 HA GLU 9 HA GLU 9 4.452 1.466 -6.837 50 HB2 GLU 9 HB2 GLU 9 4.432 3.086 -8.645 51 HB3 GLU 9 HB1 GLU 9 4.779 1.830 -9.830 52 HG2 GLU 9 HG2 GLU 9 2.604 0.739 -9.110 53 HG3 GLU 9 HG1 GLU 9 2.265 2.213 -8.209 54 H TRP 10 HN TRP 10 6.553 -0.263 -8.983 55 HA TRP 10 HA TRP 10 5.031 -2.547 -9.442 56 HB2 TRP 10 HB2 TRP 10 7.039 -2.313 -10.729 57 HB3 TRP 10 HB1 TRP 10 8.023 -2.175 -9.278 58 HD1 TRP 10 HD1 TRP 10 6.250 -4.797 -11.439 59 HE1 TRP 10 HE1 TRP 10 7.165 -7.135 -10.839 60 HE3 TRP 10 HE3 TRP 10 9.155 -3.536 -7.444 61 HZ2 TRP 10 HZ2 TRP 10 8.893 -8.282 -8.914 62 HZ3 TRP 10 HZ3 TRP 10 10.397 -5.297 -6.269 63 HH2 TRP 10 HH2 TRP 10 10.272 -7.605 -6.972 64 H THR 11 HN THR 11 7.228 -1.740 -6.760 65 HA THR 11 HA THR 11 7.139 -4.330 -5.626 66 HB THR 11 HB THR 11 7.580 -1.857 -3.953 67 HG1 THR 11 HG1 THR 11 8.947 -2.198 -6.136 68 HG21 THR 11 HG21 THR 11 7.463 -3.985 -2.817 69 HG22 THR 11 HG22 THR 11 9.136 -3.407 -2.811 70 HG23 THR 11 HG23 THR 11 8.644 -4.669 -3.927 71 H LEU 12 HN LEU 12 5.346 -1.413 -5.071 72 HA LEU 12 HA LEU 12 3.888 -2.279 -2.899 73 HB2 LEU 12 HB2 LEU 12 3.314 -0.338 -5.058 74 HB3 LEU 12 HB1 LEU 12 2.262 -0.491 -3.653 75 HG LEU 12 HG LEU 12 5.144 0.410 -3.705 76 HD11 LEU 12 HD11 LEU 12 3.597 2.067 -4.530 77 HD12 LEU 12 HD12 LEU 12 4.177 2.537 -2.929 78 HD13 LEU 12 HD13 LEU 12 2.562 1.838 -3.125 79 HD21 LEU 12 HD21 LEU 12 3.252 0.043 -1.381 80 HD22 LEU 12 HD22 LEU 12 4.810 0.855 -1.304 81 HD23 LEU 12 HD23 LEU 12 4.738 -0.865 -1.677 82 H GLN 13 HN GLN 13 3.172 -2.242 -6.431 83 HA GLN 13 HA GLN 13 0.594 -3.305 -6.200 84 HB2 GLN 13 HB2 GLN 13 0.569 -3.625 -8.589 85 HB3 GLN 13 HB1 GLN 13 1.442 -2.126 -8.261 86 HG2 GLN 13 HG2 GLN 13 3.527 -3.296 -8.638 87 HG3 GLN 13 HG1 GLN 13 2.617 -4.778 -8.935 88 HE21 GLN 13 HE21 GLN 13 1.521 -5.064 -10.773 89 HE22 GLN 13 HE22 GLN 13 1.692 -4.022 -12.150 90 H THR 14 HN THR 14 3.697 -4.876 -6.620 91 HA THR 14 HA THR 14 2.771 -7.435 -7.198 92 HB THR 14 HB THR 14 5.293 -6.564 -5.772 93 HG1 THR 14 HG1 THR 14 5.355 -5.647 -7.742 94 HG21 THR 14 HG21 THR 14 4.718 -9.100 -7.315 95 HG22 THR 14 HG22 THR 14 4.924 -8.997 -5.556 96 HG23 THR 14 HG23 THR 14 6.274 -8.611 -6.639 97 H LEU 15 HN LEU 15 2.977 -5.781 -4.145 98 HA LEU 15 HA LEU 15 2.516 -8.098 -2.492 99 HB2 LEU 15 HB2 LEU 15 2.004 -5.199 -1.937 100 HB3 LEU 15 HB1 LEU 15 2.162 -6.470 -0.749 101 HG LEU 15 HG LEU 15 4.423 -5.661 -2.566 102 HD11 LEU 15 HD11 LEU 15 5.309 -4.435 -0.644 103 HD12 LEU 15 HD12 LEU 15 3.805 -4.737 0.234 104 HD13 LEU 15 HD13 LEU 15 3.793 -3.743 -1.224 105 HD21 LEU 15 HD21 LEU 15 4.338 -7.226 0.018 106 HD22 LEU 15 HD22 LEU 15 5.784 -6.821 -0.896 107 HD23 LEU 15 HD23 LEU 15 4.578 -7.901 -1.593 108 H LEU 16 HN LEU 16 0.665 -5.367 -3.682 109 HA LEU 16 HA LEU 16 -1.792 -6.156 -2.515 110 HB2 LEU 16 HB2 LEU 16 -1.187 -4.083 -4.620 111 HB3 LEU 16 HB1 LEU 16 -2.704 -4.242 -3.757 112 HG LEU 16 HG LEU 16 -0.088 -3.628 -2.385 113 HD11 LEU 16 HD11 LEU 16 -0.658 -1.851 -3.952 114 HD12 LEU 16 HD12 LEU 16 -0.854 -1.323 -2.282 115 HD13 LEU 16 HD13 LEU 16 -2.271 -1.737 -3.248 116 HD21 LEU 16 HD21 LEU 16 -2.960 -3.420 -1.500 117 HD22 LEU 16 HD22 LEU 16 -1.576 -2.861 -0.582 118 HD23 LEU 16 HD23 LEU 16 -1.774 -4.591 -0.913 119 H GLU 17 HN GLU 17 -0.257 -6.936 -5.515 120 HA GLU 17 HA GLU 17 -2.671 -7.844 -6.777 121 HB2 GLU 17 HB2 GLU 17 0.237 -8.301 -7.497 122 HB3 GLU 17 HB1 GLU 17 -1.099 -8.905 -8.465 123 HG2 GLU 17 HG2 GLU 17 -1.878 -6.522 -8.716 124 HG3 GLU 17 HG1 GLU 17 -0.407 -6.027 -7.905 125 H GLN 18 HN GLN 18 -0.723 -8.990 -4.385 126 HA GLN 18 HA GLN 18 -1.533 -11.756 -4.788 127 HB2 GLN 18 HB2 GLN 18 0.388 -10.424 -2.895 128 HB3 GLN 18 HB1 GLN 18 -0.131 -12.093 -2.653 129 HG2 GLN 18 HG2 GLN 18 0.796 -12.717 -4.801 130 HG3 GLN 18 HG1 GLN 18 1.222 -11.040 -5.129 131 HE21 GLN 18 HE21 GLN 18 2.962 -10.162 -4.159 132 HE22 GLN 18 HE22 GLN 18 4.138 -11.099 -3.282 133 H LEU 19 HN LEU 19 -1.737 -9.189 -2.343 134 HA LEU 19 HA LEU 19 -3.966 -10.621 -1.107 135 HB2 LEU 19 HB2 LEU 19 -3.699 -9.197 0.758 136 HB3 LEU 19 HB1 LEU 19 -2.062 -9.578 0.264 137 HG LEU 19 HG LEU 19 -2.632 -7.266 -1.086 138 HD11 LEU 19 HD11 LEU 19 -3.914 -7.014 1.594 139 HD12 LEU 19 HD12 LEU 19 -4.618 -6.883 -0.024 140 HD13 LEU 19 HD13 LEU 19 -3.472 -5.655 0.533 141 HD21 LEU 19 HD21 LEU 19 -0.538 -7.715 -0.069 142 HD22 LEU 19 HD22 LEU 19 -1.216 -7.495 1.564 143 HD23 LEU 19 HD23 LEU 19 -1.141 -6.139 0.405 144 H ASN 20 HN ASN 20 -5.926 -10.189 -2.048 145 HA ASN 20 HA ASN 20 -6.752 -7.507 -2.250 146 HB2 ASN 20 HB2 ASN 20 -7.147 -7.337 -4.728 147 HB3 ASN 20 HB1 ASN 20 -5.459 -7.337 -4.227 148 HD21 ASN 20 HD21 ASN 20 -4.384 -9.320 -4.356 149 HD22 ASN 20 HD22 ASN 20 -4.682 -10.419 -5.683 150 H GLU 21 HN GLU 21 -7.513 -10.690 -3.621 151 HA GLU 21 HA GLU 21 -10.063 -10.374 -4.429 152 HB2 GLU 21 HB2 GLU 21 -8.673 -12.423 -4.636 153 HB3 GLU 21 HB1 GLU 21 -9.018 -12.794 -2.957 154 HG2 GLU 21 HG2 GLU 21 -11.365 -13.036 -3.468 155 HG3 GLU 21 HG1 GLU 21 -11.063 -12.589 -5.147 156 H ASP 22 HN ASP 22 -9.364 -11.590 -1.138 157 HA ASP 22 HA ASP 22 -11.691 -10.015 -0.275 158 HB2 ASP 22 HB2 ASP 22 -10.818 -12.726 0.685 159 HB3 ASP 22 HB1 ASP 22 -11.883 -11.708 1.643 160 H GLU 23 HN GLU 23 -8.670 -9.947 -0.353 161 HA GLU 23 HA GLU 23 -7.973 -9.651 2.479 162 HB2 GLU 23 HB2 GLU 23 -6.165 -9.218 0.134 163 HB3 GLU 23 HB1 GLU 23 -5.735 -9.640 1.787 164 HG2 GLU 23 HG2 GLU 23 -7.298 -11.313 -0.073 165 HG3 GLU 23 HG1 GLU 23 -5.554 -11.525 0.154 166 H LEU 24 HN LEU 24 -8.373 -7.719 -0.439 167 HA LEU 24 HA LEU 24 -7.012 -5.416 0.493 168 HB2 LEU 24 HB2 LEU 24 -8.052 -6.179 -1.914 169 HB3 LEU 24 HB1 LEU 24 -9.244 -5.033 -1.371 170 HG LEU 24 HG LEU 24 -7.454 -3.343 -1.078 171 HD11 LEU 24 HD11 LEU 24 -5.762 -5.442 -2.425 172 HD12 LEU 24 HD12 LEU 24 -5.537 -4.798 -0.796 173 HD13 LEU 24 HD13 LEU 24 -5.296 -3.763 -2.201 174 HD21 LEU 24 HD21 LEU 24 -7.755 -4.552 -3.812 175 HD22 LEU 24 HD22 LEU 24 -7.154 -2.928 -3.480 176 HD23 LEU 24 HD23 LEU 24 -8.817 -3.352 -3.076 177 H LYS 25 HN LYS 25 -10.133 -6.690 0.846 178 HA LYS 25 HA LYS 25 -11.681 -4.525 1.631 179 HB2 LYS 25 HB2 LYS 25 -11.755 -7.406 2.540 180 HB3 LYS 25 HB1 LYS 25 -13.076 -6.250 2.690 181 HG2 LYS 25 HG2 LYS 25 -13.333 -6.088 0.348 182 HG3 LYS 25 HG1 LYS 25 -11.837 -6.966 0.057 183 HD2 LYS 25 HD2 LYS 25 -12.786 -8.968 0.916 184 HD3 LYS 25 HD1 LYS 25 -14.302 -8.149 1.351 185 HE2 LYS 25 HE2 LYS 25 -14.566 -7.552 -1.070 186 HE3 LYS 25 HE1 LYS 25 -13.138 -8.522 -1.413 187 HZ1 LYS 25 HZ1 LYS 25 -14.347 -10.479 -0.573 188 HZ2 LYS 25 HZ2 LYS 25 -15.124 -9.749 -1.868 189 HZ3 LYS 25 HZ3 LYS 25 -15.707 -9.516 -0.310 190 H SER 26 HN SER 26 -9.619 -6.730 3.620 191 HA SER 26 HA SER 26 -10.045 -5.585 6.068 192 HB2 SER 26 HB2 SER 26 -7.820 -7.081 4.767 193 HB3 SER 26 HB1 SER 26 -7.930 -6.782 6.485 194 HG SER 26 HG SER 26 -9.254 -8.370 6.609 195 H PHE 27 HN PHE 27 -7.475 -5.282 3.670 196 HA PHE 27 HA PHE 27 -5.733 -3.536 4.858 197 HB2 PHE 27 HB2 PHE 27 -5.308 -4.755 2.805 198 HB3 PHE 27 HB1 PHE 27 -6.511 -3.797 1.966 199 HD1 PHE 27 HD2 PHE 27 -5.962 -1.294 1.601 200 HD2 PHE 27 HD1 PHE 27 -3.074 -4.099 2.966 201 HE1 PHE 27 HE2 PHE 27 -4.158 0.261 0.977 202 HE2 PHE 27 HE1 PHE 27 -1.269 -2.551 2.339 203 HZ PHE 27 HZ PHE 27 -1.809 -0.368 1.344 204 H LYS 28 HN LYS 28 -8.494 -2.722 2.772 205 HA LYS 28 HA LYS 28 -8.301 0.047 2.678 206 HB2 LYS 28 HB2 LYS 28 -10.764 -1.699 2.690 207 HB3 LYS 28 HB1 LYS 28 -10.790 0.014 2.323 208 HG2 LYS 28 HG2 LYS 28 -9.515 -0.312 0.339 209 HG3 LYS 28 HG1 LYS 28 -9.164 -1.984 0.774 210 HD2 LYS 28 HD2 LYS 28 -11.568 -2.508 0.610 211 HD3 LYS 28 HD1 LYS 28 -11.890 -0.848 0.119 212 HE2 LYS 28 HE2 LYS 28 -10.583 -1.131 -1.883 213 HE3 LYS 28 HE1 LYS 28 -10.050 -2.723 -1.349 214 HZ1 LYS 28 HZ1 LYS 28 -12.287 -3.534 -1.575 215 HZ2 LYS 28 HZ2 LYS 28 -11.822 -2.815 -3.024 216 HZ3 LYS 28 HZ3 LYS 28 -12.896 -2.041 -2.022 217 H SER 29 HN SER 29 -9.837 -1.969 5.119 218 HA SER 29 HA SER 29 -10.969 0.233 6.570 219 HB2 SER 29 HB2 SER 29 -11.702 -2.301 6.452 220 HB3 SER 29 HB1 SER 29 -10.445 -2.524 7.629 221 HG SER 29 HG SER 29 -12.685 -0.829 7.914 222 H LEU 30 HN LEU 30 -8.034 -1.591 6.610 223 HA LEU 30 HA LEU 30 -7.251 -0.834 9.241 224 HB2 LEU 30 HB2 LEU 30 -5.784 -2.157 7.014 225 HB3 LEU 30 HB1 LEU 30 -5.096 -1.875 8.606 226 HG LEU 30 HG LEU 30 -7.610 -3.458 8.145 227 HD11 LEU 30 HD11 LEU 30 -4.778 -4.391 8.469 228 HD12 LEU 30 HD12 LEU 30 -5.785 -4.475 7.013 229 HD13 LEU 30 HD13 LEU 30 -6.230 -5.415 8.437 230 HD21 LEU 30 HD21 LEU 30 -7.114 -4.300 10.378 231 HD22 LEU 30 HD22 LEU 30 -7.394 -2.561 10.383 232 HD23 LEU 30 HD23 LEU 30 -5.748 -3.193 10.497 233 H LEU 31 HN LEU 31 -6.286 0.305 5.993 234 HA LEU 31 HA LEU 31 -4.459 2.085 7.328 235 HB2 LEU 31 HB2 LEU 31 -3.631 2.804 5.250 236 HB3 LEU 31 HB1 LEU 31 -4.131 1.154 4.951 237 HG LEU 31 HG LEU 31 -5.788 3.557 4.174 238 HD11 LEU 31 HD11 LEU 31 -4.916 3.214 1.908 239 HD12 LEU 31 HD12 LEU 31 -3.802 1.995 2.537 240 HD13 LEU 31 HD13 LEU 31 -3.651 3.674 3.047 241 HD21 LEU 31 HD21 LEU 31 -5.823 0.693 3.249 242 HD22 LEU 31 HD22 LEU 31 -6.865 1.992 2.660 243 HD23 LEU 31 HD23 LEU 31 -6.995 1.444 4.330 244 H TRP 32 HN TRP 32 -7.728 2.137 6.566 245 HA TRP 32 HA TRP 32 -7.947 4.942 6.660 246 HB2 TRP 32 HB2 TRP 32 -9.619 2.813 6.037 247 HB3 TRP 32 HB1 TRP 32 -10.437 3.615 7.365 248 HD1 TRP 32 HD1 TRP 32 -11.805 5.748 6.672 249 HE1 TRP 32 HE1 TRP 32 -11.962 7.168 4.517 250 HE3 TRP 32 HE3 TRP 32 -8.031 3.679 4.168 251 HZ2 TRP 32 HZ2 TRP 32 -10.616 7.359 2.033 252 HZ3 TRP 32 HZ3 TRP 32 -7.454 4.495 1.845 253 HH2 TRP 32 HH2 TRP 32 -8.748 6.334 0.833 254 H ALA 33 HN ALA 33 -7.719 2.337 8.829 255 HA ALA 33 HA ALA 33 -9.124 3.326 11.071 256 HB1 ALA 33 HB1 ALA 33 -7.047 1.157 10.964 257 HB2 ALA 33 HB2 ALA 33 -8.775 0.945 10.697 258 HB3 ALA 33 HB3 ALA 33 -8.185 1.463 12.279 259 H PHE 34 HN PHE 34 -5.636 3.181 10.278 260 HA PHE 34 HA PHE 34 -4.973 4.385 12.770 261 HB2 PHE 34 HB2 PHE 34 -2.672 4.273 12.070 262 HB3 PHE 34 HB1 PHE 34 -3.465 2.883 11.356 263 HD1 PHE 34 HD1 PHE 34 -2.196 6.306 10.537 264 HD2 PHE 34 HD2 PHE 34 -3.392 2.461 9.135 265 HE1 PHE 34 HE1 PHE 34 -1.300 6.830 8.335 266 HE2 PHE 34 HE2 PHE 34 -2.496 3.009 6.916 267 HZ PHE 34 HZ PHE 34 -1.472 5.177 6.513 268 HA PRO 35 HA PRO 35 -5.716 8.589 11.842 269 HB2 PRO 35 HB2 PRO 35 -3.610 9.818 13.103 270 HB3 PRO 35 HB1 PRO 35 -5.047 9.235 13.944 271 HG2 PRO 35 HG2 PRO 35 -2.358 7.969 13.682 272 HG3 PRO 35 HG1 PRO 35 -3.454 7.996 15.075 273 HD2 PRO 35 HD2 PRO 35 -3.182 5.840 13.467 274 HD3 PRO 35 HD1 PRO 35 -4.711 6.238 14.268 275 H LEU 36 HN LEU 36 -5.538 9.045 9.840 276 HA LEU 36 HA LEU 36 -3.131 8.967 8.340 277 HB2 LEU 36 HB2 LEU 36 -5.732 10.282 7.720 278 HB3 LEU 36 HB1 LEU 36 -4.452 9.970 6.578 279 HG LEU 36 HG LEU 36 -6.078 7.847 7.976 280 HD11 LEU 36 HD11 LEU 36 -6.000 8.734 5.125 281 HD12 LEU 36 HD12 LEU 36 -7.295 9.081 6.273 282 HD13 LEU 36 HD13 LEU 36 -6.961 7.401 5.776 283 HD21 LEU 36 HD21 LEU 36 -3.884 7.650 5.931 284 HD22 LEU 36 HD22 LEU 36 -4.915 6.318 6.476 285 HD23 LEU 36 HD23 LEU 36 -3.835 7.119 7.617 286 H GLU 37 HN GLU 37 -2.038 10.642 7.527 287 HA GLU 37 HA GLU 37 -1.981 12.903 9.289 288 HB2 GLU 37 HB2 GLU 37 -0.114 12.061 7.105 289 HB3 GLU 37 HB1 GLU 37 0.190 13.290 8.335 290 HG2 GLU 37 HG2 GLU 37 -0.072 11.490 10.079 291 HG3 GLU 37 HG1 GLU 37 -0.258 10.374 8.763 292 H ASP 38 HN ASP 38 -0.950 14.853 7.802 293 HA ASP 38 HA ASP 38 -3.095 16.253 6.978 294 HB2 ASP 38 HB2 ASP 38 -1.444 17.775 5.818 295 HB3 ASP 38 HB1 ASP 38 -1.184 17.461 7.526 296 H VAL 39 HN VAL 39 -0.795 15.033 4.490 297 HA VAL 39 HA VAL 39 -2.601 15.725 2.411 298 HB VAL 39 HB VAL 39 -0.227 13.828 2.299 299 HG11 VAL 39 HG11 VAL 39 -1.764 15.113 0.031 300 HG12 VAL 39 HG12 VAL 39 -1.770 13.398 0.434 301 HG13 VAL 39 HG13 VAL 39 -0.289 14.162 -0.141 302 HG21 VAL 39 HG21 VAL 39 0.938 15.729 1.277 303 HG22 VAL 39 HG22 VAL 39 0.394 16.093 2.917 304 HG23 VAL 39 HG23 VAL 39 -0.490 16.730 1.533 305 H LEU 40 HN LEU 40 -2.060 12.850 4.247 306 HA LEU 40 HA LEU 40 -3.549 11.150 2.524 307 HB2 LEU 40 HB2 LEU 40 -2.303 10.775 5.180 308 HB3 LEU 40 HB1 LEU 40 -3.550 9.645 4.692 309 HG LEU 40 HG LEU 40 -1.359 8.765 4.207 310 HD11 LEU 40 HD11 LEU 40 -1.689 8.185 1.881 311 HD12 LEU 40 HD12 LEU 40 -2.839 9.495 1.685 312 HD13 LEU 40 HD13 LEU 40 -3.211 8.150 2.764 313 HD21 LEU 40 HD21 LEU 40 0.082 9.790 2.488 314 HD22 LEU 40 HD22 LEU 40 -0.101 10.824 3.903 315 HD23 LEU 40 HD23 LEU 40 -1.000 11.185 2.428 316 H GLN 41 HN GLN 41 -4.653 13.436 4.652 317 HA GLN 41 HA GLN 41 -7.103 12.102 5.258 318 HB2 GLN 41 HB2 GLN 41 -6.317 15.007 5.333 319 HB3 GLN 41 HB1 GLN 41 -7.946 14.462 5.714 320 HG2 GLN 41 HG2 GLN 41 -5.495 13.447 7.097 321 HG3 GLN 41 HG1 GLN 41 -6.464 14.801 7.714 322 HE21 GLN 41 HE21 GLN 41 -5.880 12.283 8.970 323 HE22 GLN 41 HE22 GLN 41 -7.393 11.505 9.243 324 H LYS 42 HN LYS 42 -5.806 13.452 2.492 325 HA LYS 42 HA LYS 42 -8.399 13.575 1.150 326 HB2 LYS 42 HB2 LYS 42 -6.894 15.504 0.785 327 HB3 LYS 42 HB1 LYS 42 -5.625 14.405 0.263 328 HG2 LYS 42 HG2 LYS 42 -7.213 13.677 -1.584 329 HG3 LYS 42 HG1 LYS 42 -8.211 15.055 -1.134 330 HD2 LYS 42 HD2 LYS 42 -6.787 15.672 -2.991 331 HD3 LYS 42 HD1 LYS 42 -6.268 16.542 -1.544 332 HE2 LYS 42 HE2 LYS 42 -4.416 15.000 -1.234 333 HE3 LYS 42 HE1 LYS 42 -4.983 13.996 -2.564 334 HZ1 LYS 42 HZ1 LYS 42 -4.530 15.811 -4.080 335 HZ2 LYS 42 HZ2 LYS 42 -3.134 15.451 -3.206 336 HZ3 LYS 42 HZ3 LYS 42 -4.027 16.801 -2.812 337 H THR 43 HN THR 43 -8.856 11.454 0.678 338 HA THR 43 HA THR 43 -7.257 10.164 -1.210 339 HB THR 43 HB THR 43 -5.905 9.434 0.632 340 HG1 THR 43 HG1 THR 43 -6.419 7.096 0.587 341 HG21 THR 43 HG21 THR 43 -6.782 8.099 2.483 342 HG22 THR 43 HG22 THR 43 -8.420 8.398 1.890 343 HG23 THR 43 HG23 THR 43 -7.433 9.747 2.485 344 HA PRO 44 HA PRO 44 -11.373 9.361 -2.270 345 HB2 PRO 44 HB2 PRO 44 -10.885 8.275 -4.664 346 HB3 PRO 44 HB1 PRO 44 -10.626 9.996 -4.338 347 HG2 PRO 44 HG2 PRO 44 -8.620 7.759 -4.258 348 HG3 PRO 44 HG1 PRO 44 -8.474 9.297 -5.147 349 HD2 PRO 44 HD2 PRO 44 -7.322 8.907 -2.805 350 HD3 PRO 44 HD1 PRO 44 -8.075 10.471 -3.195 351 H TRP 45 HN TRP 45 -11.943 7.748 -0.741 352 HA TRP 45 HA TRP 45 -11.243 5.033 -0.849 353 HB2 TRP 45 HB2 TRP 45 -12.395 5.928 1.104 354 HB3 TRP 45 HB1 TRP 45 -13.811 6.328 0.143 355 HD1 TRP 45 HD1 TRP 45 -15.267 4.139 -0.761 356 HE1 TRP 45 HE1 TRP 45 -15.687 1.853 0.384 357 HE3 TRP 45 HE3 TRP 45 -11.421 4.189 2.570 358 HZ2 TRP 45 HZ2 TRP 45 -14.540 0.309 2.417 359 HZ3 TRP 45 HZ3 TRP 45 -11.142 2.286 4.070 360 HH2 TRP 45 HH2 TRP 45 -12.670 0.375 4.006 361 H SER 46 HN SER 46 -13.720 6.854 -2.565 362 HA SER 46 HA SER 46 -15.145 4.782 -3.709 363 HB2 SER 46 HB2 SER 46 -14.448 7.451 -4.943 364 HB3 SER 46 HB1 SER 46 -15.825 6.433 -5.373 365 HG SER 46 HG SER 46 -16.644 6.718 -3.319 366 H GLU 47 HN GLU 47 -12.001 6.103 -4.638 367 HA GLU 47 HA GLU 47 -11.930 4.459 -7.000 368 HB2 GLU 47 HB2 GLU 47 -9.795 6.171 -5.736 369 HB3 GLU 47 HB1 GLU 47 -9.568 5.261 -7.219 370 HG2 GLU 47 HG2 GLU 47 -11.511 6.566 -8.184 371 HG3 GLU 47 HG1 GLU 47 -11.414 7.601 -6.764 372 H VAL 48 HN VAL 48 -10.544 4.468 -3.748 373 HA VAL 48 HA VAL 48 -8.784 2.313 -4.123 374 HB VAL 48 HB VAL 48 -8.435 2.197 -1.817 375 HG11 VAL 48 HG11 VAL 48 -9.371 4.946 -2.280 376 HG12 VAL 48 HG12 VAL 48 -7.734 4.291 -2.442 377 HG13 VAL 48 HG13 VAL 48 -8.497 4.422 -0.846 378 HG21 VAL 48 HG21 VAL 48 -11.255 3.122 -1.304 379 HG22 VAL 48 HG22 VAL 48 -10.031 2.949 -0.046 380 HG23 VAL 48 HG23 VAL 48 -10.554 1.542 -0.963 381 H GLU 49 HN GLU 49 -12.172 2.479 -3.582 382 HA GLU 49 HA GLU 49 -12.733 -0.106 -2.682 383 HB2 GLU 49 HB2 GLU 49 -14.140 2.145 -3.045 384 HB3 GLU 49 HB1 GLU 49 -14.735 1.140 -4.368 385 HG2 GLU 49 HG2 GLU 49 -14.489 0.301 -1.559 386 HG3 GLU 49 HG1 GLU 49 -16.002 0.881 -2.254 387 H GLU 50 HN GLU 50 -12.858 1.359 -5.903 388 HA GLU 50 HA GLU 50 -13.704 -1.078 -6.976 389 HB2 GLU 50 HB2 GLU 50 -12.823 1.412 -8.444 390 HB3 GLU 50 HB1 GLU 50 -13.631 0.045 -9.189 391 HG2 GLU 50 HG2 GLU 50 -15.589 0.453 -7.756 392 HG3 GLU 50 HG1 GLU 50 -14.774 1.866 -7.084 393 H ALA 51 HN ALA 51 -10.722 0.566 -6.606 394 HA ALA 51 HA ALA 51 -9.078 -0.818 -8.525 395 HB1 ALA 51 HB1 ALA 51 -8.401 0.753 -6.069 396 HB2 ALA 51 HB2 ALA 51 -8.527 1.392 -7.712 397 HB3 ALA 51 HB3 ALA 51 -7.272 0.216 -7.307 398 H ASP 52 HN ASP 52 -7.457 -2.220 -8.121 399 HA ASP 52 HA ASP 52 -7.295 -3.500 -5.556 400 HB2 ASP 52 HB2 ASP 52 -7.561 -5.734 -6.365 401 HB3 ASP 52 HB1 ASP 52 -8.981 -4.836 -6.861 402 H GLY 53 HN GLY 53 -5.327 -4.558 -5.310 403 HA2 GLY 53 HA2 GLY 53 -3.080 -4.849 -5.543 404 HA3 GLY 53 HA1 GLY 53 -3.502 -5.275 -7.182 405 H LYS 54 HN LYS 54 -2.874 -4.079 -8.769 406 HA LYS 54 HA LYS 54 -0.772 -2.218 -8.554 407 HB2 LYS 54 HB2 LYS 54 -1.499 -3.727 -10.506 408 HB3 LYS 54 HB1 LYS 54 -2.621 -2.449 -10.912 409 HG2 LYS 54 HG2 LYS 54 0.228 -1.767 -10.580 410 HG3 LYS 54 HG1 LYS 54 -0.201 -2.692 -11.989 411 HD2 LYS 54 HD2 LYS 54 -0.317 -0.561 -12.884 412 HD3 LYS 54 HD1 LYS 54 -1.952 -0.640 -12.234 413 HE2 LYS 54 HE2 LYS 54 -1.413 0.650 -10.405 414 HE3 LYS 54 HE1 LYS 54 0.329 0.411 -10.590 415 HZ1 LYS 54 HZ1 LYS 54 -0.071 2.569 -11.304 416 HZ2 LYS 54 HZ2 LYS 54 -1.476 2.218 -12.140 417 HZ3 LYS 54 HZ3 LYS 54 0.023 1.731 -12.750 418 H LYS 55 HN LYS 55 -4.140 -1.807 -9.280 419 HA LYS 55 HA LYS 55 -3.957 0.875 -9.764 420 HB2 LYS 55 HB2 LYS 55 -6.222 -0.899 -9.123 421 HB3 LYS 55 HB1 LYS 55 -6.499 0.833 -9.118 422 HG2 LYS 55 HG2 LYS 55 -5.276 -0.663 -11.387 423 HG3 LYS 55 HG1 LYS 55 -7.014 -0.371 -11.264 424 HD2 LYS 55 HD2 LYS 55 -4.845 1.754 -11.423 425 HD3 LYS 55 HD1 LYS 55 -5.910 1.274 -12.744 426 HE2 LYS 55 HE2 LYS 55 -7.852 2.013 -11.389 427 HE3 LYS 55 HE1 LYS 55 -6.745 2.548 -10.134 428 HZ1 LYS 55 HZ1 LYS 55 -6.846 3.633 -12.898 429 HZ2 LYS 55 HZ2 LYS 55 -5.766 4.105 -11.676 430 HZ3 LYS 55 HZ3 LYS 55 -7.414 4.378 -11.491 431 H LEU 56 HN LEU 56 -4.545 -0.872 -6.805 432 HA LEU 56 HA LEU 56 -5.236 1.381 -5.241 433 HB2 LEU 56 HB2 LEU 56 -5.740 -0.958 -4.571 434 HB3 LEU 56 HB1 LEU 56 -4.032 -1.212 -4.304 435 HG LEU 56 HG LEU 56 -4.047 0.530 -2.554 436 HD11 LEU 56 HD11 LEU 56 -5.920 1.864 -3.302 437 HD12 LEU 56 HD12 LEU 56 -6.191 1.305 -1.653 438 HD13 LEU 56 HD13 LEU 56 -7.024 0.523 -2.997 439 HD21 LEU 56 HD21 LEU 56 -4.288 -1.806 -1.967 440 HD22 LEU 56 HD22 LEU 56 -6.041 -1.676 -2.152 441 HD23 LEU 56 HD23 LEU 56 -5.217 -0.780 -0.876 442 H ALA 57 HN ALA 57 -2.178 -0.228 -5.930 443 HA ALA 57 HA ALA 57 -0.479 1.270 -4.239 444 HB1 ALA 57 HB1 ALA 57 0.117 0.096 -6.961 445 HB2 ALA 57 HB2 ALA 57 0.265 -0.755 -5.425 446 HB3 ALA 57 HB3 ALA 57 1.317 0.615 -5.783 447 H GLU 58 HN GLU 58 -1.847 1.897 -7.344 448 HA GLU 58 HA GLU 58 -0.328 4.160 -8.100 449 HB2 GLU 58 HB2 GLU 58 -1.612 2.763 -9.642 450 HB3 GLU 58 HB1 GLU 58 -3.099 3.254 -8.861 451 HG2 GLU 58 HG2 GLU 58 -2.699 5.554 -9.612 452 HG3 GLU 58 HG1 GLU 58 -1.245 5.001 -10.451 453 H ILE 59 HN ILE 59 -3.329 3.679 -6.365 454 HA ILE 59 HA ILE 59 -3.990 6.426 -6.076 455 HB ILE 59 HB ILE 59 -4.953 3.955 -4.581 456 HG12 ILE 59 HG12 ILE 59 -6.458 5.516 -6.641 457 HG13 ILE 59 HG11 ILE 59 -5.292 4.283 -7.143 458 HG21 ILE 59 HG21 ILE 59 -5.389 5.953 -3.228 459 HG22 ILE 59 HG22 ILE 59 -6.900 5.371 -3.939 460 HG23 ILE 59 HG23 ILE 59 -6.080 6.766 -4.627 461 HD11 ILE 59 HD11 ILE 59 -7.567 3.487 -7.141 462 HD12 ILE 59 HD12 ILE 59 -7.731 3.868 -5.415 463 HD13 ILE 59 HD13 ILE 59 -6.582 2.640 -5.975 464 H LEU 60 HN LEU 60 -2.266 4.062 -4.120 465 HA LEU 60 HA LEU 60 -1.846 5.702 -1.874 466 HB2 LEU 60 HB2 LEU 60 -0.590 3.211 -2.878 467 HB3 LEU 60 HB1 LEU 60 0.368 4.160 -1.771 468 HG LEU 60 HG LEU 60 -0.790 2.378 -0.601 469 HD11 LEU 60 HD11 LEU 60 -1.854 3.652 1.157 470 HD12 LEU 60 HD12 LEU 60 -1.917 5.068 0.112 471 HD13 LEU 60 HD13 LEU 60 -0.359 4.411 0.613 472 HD21 LEU 60 HD21 LEU 60 -3.367 3.673 -1.515 473 HD22 LEU 60 HD22 LEU 60 -3.226 2.346 -0.363 474 HD23 LEU 60 HD23 LEU 60 -2.745 2.102 -2.037 475 H VAL 61 HN VAL 61 0.200 5.234 -4.769 476 HA VAL 61 HA VAL 61 2.141 7.106 -3.799 477 HB VAL 61 HB VAL 61 3.205 7.009 -5.996 478 HG11 VAL 61 HG11 VAL 61 3.696 4.614 -6.103 479 HG12 VAL 61 HG12 VAL 61 2.330 4.307 -5.035 480 HG13 VAL 61 HG13 VAL 61 3.711 5.235 -4.454 481 HG21 VAL 61 HG21 VAL 61 0.840 5.357 -6.841 482 HG22 VAL 61 HG22 VAL 61 2.294 5.632 -7.803 483 HG23 VAL 61 HG23 VAL 61 1.225 6.987 -7.393 484 H ASN 62 HN ASN 62 -0.850 7.481 -5.226 485 HA ASN 62 HA ASN 62 -0.464 9.958 -6.559 486 HB2 ASN 62 HB2 ASN 62 -2.398 8.540 -7.070 487 HB3 ASN 62 HB1 ASN 62 -2.986 8.690 -5.426 488 HD21 ASN 62 HD21 ASN 62 -4.943 9.475 -6.118 489 HD22 ASN 62 HD22 ASN 62 -5.162 11.061 -6.698 490 H THR 63 HN THR 63 -1.108 9.003 -3.273 491 HA THR 63 HA THR 63 -1.456 11.792 -2.479 492 HB THR 63 HB THR 63 -2.276 10.667 -0.330 493 HG1 THR 63 HG1 THR 63 -3.050 8.465 -1.812 494 HG21 THR 63 HG21 THR 63 -3.730 11.801 -1.936 495 HG22 THR 63 HG22 THR 63 -4.510 10.378 -1.257 496 HG23 THR 63 HG23 THR 63 -3.846 10.321 -2.899 497 H SER 64 HN SER 64 0.234 8.798 -1.598 498 HA SER 64 HA SER 64 1.626 10.179 0.537 499 HB2 SER 64 HB2 SER 64 1.710 7.298 -0.266 500 HB3 SER 64 HB1 SER 64 2.186 8.010 1.279 501 HG SER 64 HG SER 64 -0.431 8.247 0.259 502 H SER 65 HN SER 65 3.895 10.073 0.737 503 HA SER 65 HA SER 65 5.446 9.955 -1.650 504 HB2 SER 65 HB2 SER 65 7.194 10.452 0.207 505 HB3 SER 65 HB1 SER 65 5.972 11.689 -0.119 506 HG SER 65 HG SER 65 6.428 10.843 2.177 507 H GLU 66 HN GLU 66 7.235 8.388 -1.780 508 HA GLU 66 HA GLU 66 6.365 5.797 -1.141 509 HB2 GLU 66 HB2 GLU 66 8.641 5.072 -1.837 510 HB3 GLU 66 HB1 GLU 66 7.712 5.971 -3.044 511 HG2 GLU 66 HG2 GLU 66 9.029 7.875 -2.714 512 HG3 GLU 66 HG1 GLU 66 9.828 7.187 -1.286 513 H ASN 67 HN ASN 67 8.577 7.915 0.479 514 HA ASN 67 HA ASN 67 9.634 5.961 2.246 515 HB2 ASN 67 HB2 ASN 67 10.768 8.134 1.795 516 HB3 ASN 67 HB1 ASN 67 9.482 8.962 2.664 517 HD21 ASN 67 HD21 ASN 67 12.251 6.882 2.937 518 HD22 ASN 67 HD22 ASN 67 12.477 7.035 4.636 519 H TRP 68 HN TRP 68 6.652 7.581 2.127 520 HA TRP 68 HA TRP 68 6.047 7.089 4.921 521 HB2 TRP 68 HB2 TRP 68 5.276 9.139 3.654 522 HB3 TRP 68 HB1 TRP 68 4.227 8.079 2.728 523 HD1 TRP 68 HD1 TRP 68 4.659 9.600 6.172 524 HE1 TRP 68 HE1 TRP 68 2.454 9.419 7.460 525 HE3 TRP 68 HE3 TRP 68 2.067 6.608 2.930 526 HZ2 TRP 68 HZ2 TRP 68 -0.055 8.206 7.135 527 HZ3 TRP 68 HZ3 TRP 68 -0.231 6.003 3.497 528 HH2 TRP 68 HH2 TRP 68 -1.272 6.786 5.548 529 H ILE 69 HN ILE 69 5.173 5.981 1.683 530 HA ILE 69 HA ILE 69 3.169 4.155 2.422 531 HB ILE 69 HB ILE 69 4.967 3.869 -0.013 532 HG12 ILE 69 HG12 ILE 69 2.335 5.319 0.239 533 HG13 ILE 69 HG11 ILE 69 3.900 6.123 0.185 534 HG21 ILE 69 HG21 ILE 69 3.584 1.902 0.499 535 HG22 ILE 69 HG22 ILE 69 3.012 2.707 -0.963 536 HG23 ILE 69 HG23 ILE 69 2.147 2.924 0.559 537 HD11 ILE 69 HD11 ILE 69 2.691 4.438 -1.995 538 HD12 ILE 69 HD12 ILE 69 4.270 5.224 -2.055 539 HD13 ILE 69 HD13 ILE 69 2.801 6.198 -1.969 540 H ARG 70 HN ARG 70 6.664 3.791 2.152 541 HA ARG 70 HA ARG 70 6.819 1.002 2.497 542 HB2 ARG 70 HB2 ARG 70 9.146 1.345 3.261 543 HB3 ARG 70 HB1 ARG 70 8.782 2.263 1.807 544 HG2 ARG 70 HG2 ARG 70 8.551 4.278 3.086 545 HG3 ARG 70 HG1 ARG 70 8.793 3.387 4.586 546 HD2 ARG 70 HD2 ARG 70 10.815 3.460 2.375 547 HD3 ARG 70 HD1 ARG 70 10.802 4.636 3.693 548 HE ARG 70 HE ARG 70 10.775 2.170 4.885 549 HH11 ARG 70 HH11 ARG 70 12.935 3.808 2.631 550 HH12 ARG 70 HH12 ARG 70 14.357 3.109 3.225 551 HH21 ARG 70 HH21 ARG 70 12.655 1.202 5.727 552 HH22 ARG 70 HH22 ARG 70 14.199 1.509 5.080 553 H ASN 71 HN ASN 71 6.041 3.443 4.759 554 HA ASN 71 HA ASN 71 6.434 1.653 7.019 555 HB2 ASN 71 HB2 ASN 71 6.898 4.022 7.433 556 HB3 ASN 71 HB1 ASN 71 5.300 4.466 6.847 557 HD21 ASN 71 HD21 ASN 71 3.524 4.260 8.241 558 HD22 ASN 71 HD22 ASN 71 3.702 3.858 9.905 559 H ALA 72 HN ALA 72 3.868 3.349 5.330 560 HA ALA 72 HA ALA 72 1.646 2.543 6.679 561 HB1 ALA 72 HB1 ALA 72 1.673 4.239 4.918 562 HB2 ALA 72 HB2 ALA 72 0.377 3.066 4.692 563 HB3 ALA 72 HB3 ALA 72 1.839 2.966 3.710 564 H THR 73 HN THR 73 2.765 0.995 3.646 565 HA THR 73 HA THR 73 0.842 -1.137 3.768 566 HB THR 73 HB THR 73 1.951 -0.319 1.623 567 HG1 THR 73 HG1 THR 73 1.231 -2.738 2.257 568 HG21 THR 73 HG21 THR 73 4.340 -1.911 2.608 569 HG22 THR 73 HG22 THR 73 4.294 -0.167 2.375 570 HG23 THR 73 HG23 THR 73 4.160 -1.240 0.988 571 H VAL 74 HN VAL 74 4.145 -1.006 4.959 572 HA VAL 74 HA VAL 74 4.333 -3.757 5.398 573 HB VAL 74 HB VAL 74 5.727 -1.427 6.745 574 HG11 VAL 74 HG11 VAL 74 6.335 -4.361 7.051 575 HG12 VAL 74 HG12 VAL 74 5.697 -3.302 8.307 576 HG13 VAL 74 HG13 VAL 74 7.319 -3.034 7.665 577 HG21 VAL 74 HG21 VAL 74 6.639 -3.451 4.702 578 HG22 VAL 74 HG22 VAL 74 7.629 -2.168 5.408 579 HG23 VAL 74 HG23 VAL 74 6.243 -1.755 4.405 580 H ASN 75 HN ASN 75 3.320 -1.189 7.695 581 HA ASN 75 HA ASN 75 2.771 -3.008 9.752 582 HB2 ASN 75 HB2 ASN 75 1.848 -0.189 9.247 583 HB3 ASN 75 HB1 ASN 75 1.362 -1.119 10.653 584 HD21 ASN 75 HD21 ASN 75 2.907 -1.599 12.225 585 HD22 ASN 75 HD22 ASN 75 4.422 -0.776 12.303 586 H ILE 76 HN ILE 76 0.705 -1.668 7.196 587 HA ILE 76 HA ILE 76 -1.719 -2.725 8.216 588 HB ILE 76 HB ILE 76 -1.084 -2.411 5.263 589 HG12 ILE 76 HG12 ILE 76 -0.604 -0.313 6.376 590 HG13 ILE 76 HG11 ILE 76 -2.078 -0.154 5.428 591 HG21 ILE 76 HG21 ILE 76 -3.121 -3.667 5.724 592 HG22 ILE 76 HG22 ILE 76 -3.512 -2.096 5.022 593 HG23 ILE 76 HG23 ILE 76 -3.703 -2.362 6.755 594 HD11 ILE 76 HD11 ILE 76 -1.879 -0.535 8.395 595 HD12 ILE 76 HD12 ILE 76 -3.383 -0.373 7.466 596 HD13 ILE 76 HD13 ILE 76 -2.232 0.970 7.543 597 H LEU 77 HN LEU 77 0.677 -4.113 6.007 598 HA LEU 77 HA LEU 77 -0.703 -6.517 5.609 599 HB2 LEU 77 HB2 LEU 77 2.159 -5.693 5.219 600 HB3 LEU 77 HB1 LEU 77 1.685 -7.361 5.051 601 HG LEU 77 HG LEU 77 0.126 -6.736 3.240 602 HD11 LEU 77 HD11 LEU 77 1.095 -3.990 3.487 603 HD12 LEU 77 HD12 LEU 77 -0.534 -4.606 3.752 604 HD13 LEU 77 HD13 LEU 77 0.175 -4.647 2.133 605 HD21 LEU 77 HD21 LEU 77 2.950 -5.832 2.772 606 HD22 LEU 77 HD22 LEU 77 1.782 -6.262 1.522 607 HD23 LEU 77 HD23 LEU 77 2.353 -7.486 2.654 608 H GLU 78 HN GLU 78 1.739 -5.570 7.986 609 HA GLU 78 HA GLU 78 1.835 -8.068 9.266 610 HB2 GLU 78 HB2 GLU 78 2.570 -5.287 10.108 611 HB3 GLU 78 HB1 GLU 78 2.690 -6.563 11.285 612 HG2 GLU 78 HG2 GLU 78 4.178 -7.774 9.602 613 HG3 GLU 78 HG1 GLU 78 4.167 -6.275 8.679 614 H GLU 79 HN GLU 79 -0.380 -5.414 9.517 615 HA GLU 79 HA GLU 79 -1.731 -6.391 11.840 616 HB2 GLU 79 HB2 GLU 79 -2.446 -4.320 9.835 617 HB3 GLU 79 HB1 GLU 79 -3.452 -4.633 11.232 618 HG2 GLU 79 HG2 GLU 79 -1.374 -4.119 12.616 619 HG3 GLU 79 HG1 GLU 79 -0.672 -3.512 11.118 620 H MET 80 HN MET 80 -1.742 -7.398 8.683 621 HA MET 80 HA MET 80 -4.436 -8.540 8.895 622 HB2 MET 80 HB2 MET 80 -2.575 -8.254 6.534 623 HB3 MET 80 HB1 MET 80 -4.030 -9.237 6.483 624 HG2 MET 80 HG2 MET 80 -5.353 -7.250 7.040 625 HG3 MET 80 HG1 MET 80 -3.889 -6.286 6.995 626 HE1 MET 80 HE1 MET 80 -2.589 -5.633 4.842 627 HE2 MET 80 HE2 MET 80 -2.882 -6.323 3.248 628 HE3 MET 80 HE3 MET 80 -2.277 -7.340 4.553 629 H ASN 81 HN ASN 81 -1.671 -9.249 10.067 630 HA ASN 81 HA ASN 81 -0.581 -11.084 10.827 631 HB2 ASN 81 HB2 ASN 81 -2.939 -11.905 11.283 632 HB3 ASN 81 HB1 ASN 81 -2.908 -12.709 9.720 633 HD21 ASN 81 HD21 ASN 81 -3.097 -14.771 10.490 634 HD22 ASN 81 HD22 ASN 81 -1.886 -15.568 11.412 635 H LEU 82 HN LEU 82 -0.365 -10.108 8.002 636 HA LEU 82 HA LEU 82 0.437 -12.532 6.602 637 HB2 LEU 82 HB2 LEU 82 0.169 -9.680 5.677 638 HB3 LEU 82 HB1 LEU 82 0.694 -10.988 4.649 639 HG LEU 82 HG LEU 82 -2.031 -10.701 5.925 640 HD11 LEU 82 HD11 LEU 82 -1.617 -9.138 4.085 641 HD12 LEU 82 HD12 LEU 82 -2.834 -10.337 3.670 642 HD13 LEU 82 HD13 LEU 82 -1.205 -10.483 3.026 643 HD21 LEU 82 HD21 LEU 82 -1.411 -13.050 5.738 644 HD22 LEU 82 HD22 LEU 82 -0.978 -12.815 4.044 645 HD23 LEU 82 HD23 LEU 82 -2.657 -12.643 4.558 646 H THR 83 HN THR 83 2.427 -13.144 7.131 647 HA THR 83 HA THR 83 4.504 -11.092 7.393 648 HB THR 83 HB THR 83 5.975 -13.034 8.042 649 HG1 THR 83 HG1 THR 83 3.503 -14.429 8.409 650 HG21 THR 83 HG21 THR 83 5.111 -11.474 9.680 651 HG22 THR 83 HG22 THR 83 5.175 -13.109 10.332 652 HG23 THR 83 HG23 THR 83 3.622 -12.421 9.830 653 H GLU 84 HN GLU 84 4.039 -14.120 5.653 654 HA GLU 84 HA GLU 84 6.302 -14.227 4.233 655 HB2 GLU 84 HB2 GLU 84 4.956 -15.382 2.402 656 HB3 GLU 84 HB1 GLU 84 4.863 -16.038 4.027 657 HG2 GLU 84 HG2 GLU 84 2.705 -14.932 4.349 658 HG3 GLU 84 HG1 GLU 84 2.798 -14.265 2.730 659 H LEU 85 HN LEU 85 3.496 -12.746 2.543 660 HA LEU 85 HA LEU 85 5.195 -11.602 0.589 661 HB2 LEU 85 HB2 LEU 85 3.275 -10.356 -0.253 662 HB3 LEU 85 HB1 LEU 85 2.900 -12.041 -0.060 663 HG LEU 85 HG LEU 85 2.019 -9.878 1.871 664 HD11 LEU 85 HD11 LEU 85 0.520 -11.187 -0.390 665 HD12 LEU 85 HD12 LEU 85 1.071 -9.513 -0.341 666 HD13 LEU 85 HD13 LEU 85 -0.154 -10.073 0.798 667 HD21 LEU 85 HD21 LEU 85 1.178 -12.763 1.515 668 HD22 LEU 85 HD22 LEU 85 0.346 -11.599 2.529 669 HD23 LEU 85 HD23 LEU 85 1.995 -12.066 2.920 670 H CYS 86 HN CYS 86 4.183 -10.478 3.657 671 HA CYS 86 HA CYS 86 4.637 -7.708 3.176 672 HB2 CYS 86 HB2 CYS 86 3.288 -8.639 5.066 673 HB3 CYS 86 HB1 CYS 86 4.786 -9.249 5.726 674 HG CYS 86 HG CYS 86 3.799 -6.832 7.044 675 H LYS 87 HN LYS 87 6.560 -10.428 4.208 676 HA LYS 87 HA LYS 87 8.878 -8.968 4.870 677 HB2 LYS 87 HB2 LYS 87 8.418 -11.858 4.192 678 HB3 LYS 87 HB1 LYS 87 9.963 -11.221 4.752 679 HG2 LYS 87 HG2 LYS 87 9.051 -10.593 6.848 680 HG3 LYS 87 HG1 LYS 87 7.401 -10.892 6.296 681 HD2 LYS 87 HD2 LYS 87 8.131 -12.688 7.737 682 HD3 LYS 87 HD1 LYS 87 7.957 -13.273 6.088 683 HE2 LYS 87 HE2 LYS 87 9.929 -14.131 7.113 684 HE3 LYS 87 HE1 LYS 87 10.295 -13.065 5.729 685 HZ1 LYS 87 HZ1 LYS 87 10.498 -12.289 8.608 686 HZ2 LYS 87 HZ2 LYS 87 10.865 -11.300 7.300 687 HZ3 LYS 87 HZ3 LYS 87 11.809 -12.639 7.616 688 H MET 88 HN MET 88 7.457 -9.719 1.931 689 HA MET 88 HA MET 88 9.860 -9.508 0.339 690 HB2 MET 88 HB2 MET 88 6.950 -9.117 -0.447 691 HB3 MET 88 HB1 MET 88 8.302 -9.226 -1.565 692 HG2 MET 88 HG2 MET 88 8.647 -11.533 -0.984 693 HG3 MET 88 HG1 MET 88 7.420 -11.437 0.278 694 HE1 MET 88 HE1 MET 88 8.129 -11.459 -3.586 695 HE2 MET 88 HE2 MET 88 7.348 -9.886 -3.385 696 HE3 MET 88 HE3 MET 88 6.523 -11.172 -4.254 697 H ALA 89 HN ALA 89 7.167 -7.508 1.393 698 HA ALA 89 HA ALA 89 7.898 -5.091 0.136 699 HB1 ALA 89 HB1 ALA 89 6.394 -5.486 2.706 700 HB2 ALA 89 HB2 ALA 89 5.714 -5.556 1.077 701 HB3 ALA 89 HB3 ALA 89 6.392 -4.037 1.682 702 H LYS 90 HN LYS 90 8.554 -6.459 3.292 703 HA LYS 90 HA LYS 90 10.028 -4.231 4.249 704 HB2 LYS 90 HB2 LYS 90 10.033 -7.072 5.302 705 HB3 LYS 90 HB1 LYS 90 10.591 -5.641 6.165 706 HG2 LYS 90 HG2 LYS 90 8.310 -4.712 6.024 707 HG3 LYS 90 HG1 LYS 90 7.778 -6.207 5.269 708 HD2 LYS 90 HD2 LYS 90 7.176 -6.328 7.568 709 HD3 LYS 90 HD1 LYS 90 8.553 -7.402 7.337 710 HE2 LYS 90 HE2 LYS 90 10.049 -5.864 8.354 711 HE3 LYS 90 HE1 LYS 90 8.865 -4.560 8.291 712 HZ1 LYS 90 HZ1 LYS 90 7.522 -5.711 9.902 713 HZ2 LYS 90 HZ2 LYS 90 9.065 -5.511 10.530 714 HZ3 LYS 90 HZ3 LYS 90 8.587 -7.016 9.944 715 H ALA 91 HN ALA 91 10.804 -6.610 2.072 716 HA ALA 91 HA ALA 91 13.661 -6.444 2.582 717 HB1 ALA 91 HB1 ALA 91 12.189 -7.969 0.437 718 HB2 ALA 91 HB2 ALA 91 12.623 -8.647 2.006 719 HB3 ALA 91 HB3 ALA 91 13.888 -8.166 0.867 720 H GLU 92 HN GLU 92 11.290 -5.696 0.222 721 HA GLU 92 HA GLU 92 13.144 -4.573 -1.674 722 HB2 GLU 92 HB2 GLU 92 10.238 -4.976 -1.544 723 HB3 GLU 92 HB1 GLU 92 11.012 -4.352 -2.999 724 HG2 GLU 92 HG2 GLU 92 11.597 -6.938 -1.627 725 HG3 GLU 92 HG1 GLU 92 10.477 -6.863 -2.956 726 H MET 93 HN MET 93 10.098 -3.414 -0.181 727 HA MET 93 HA MET 93 10.508 -0.715 -1.011 728 HB2 MET 93 HB2 MET 93 8.322 -2.076 0.557 729 HB3 MET 93 HB1 MET 93 8.461 -0.314 0.625 730 HG2 MET 93 HG2 MET 93 8.200 -2.023 -1.804 731 HG3 MET 93 HG1 MET 93 6.862 -1.230 -1.007 732 HE1 MET 93 HE1 MET 93 8.428 1.599 -0.221 733 HE2 MET 93 HE2 MET 93 6.753 1.464 -0.740 734 HE3 MET 93 HE3 MET 93 7.845 2.579 -1.566 735 H MET 94 HN MET 94 11.458 -2.454 1.700 736 HA MET 94 HA MET 94 12.037 -0.002 3.126 737 HB2 MET 94 HB2 MET 94 12.545 -2.874 3.891 738 HB3 MET 94 HB1 MET 94 13.071 -1.495 4.847 739 HG2 MET 94 HG2 MET 94 10.725 -0.783 5.042 740 HG3 MET 94 HG1 MET 94 10.265 -2.228 4.147 741 HE1 MET 94 HE1 MET 94 12.416 -2.520 8.237 742 HE2 MET 94 HE2 MET 94 12.189 -0.989 7.395 743 HE3 MET 94 HE3 MET 94 13.254 -2.227 6.723 744 H GLU 95 HN GLU 95 13.370 0.942 1.725 745 HA GLU 95 HA GLU 95 15.889 -0.337 1.010 746 HB2 GLU 95 HB2 GLU 95 14.331 0.579 -0.740 747 HB3 GLU 95 HB1 GLU 95 14.572 2.168 -0.043 748 HG2 GLU 95 HG2 GLU 95 15.941 1.959 -1.986 749 HG3 GLU 95 HG1 GLU 95 16.980 1.987 -0.565 750 H ASP 96 HN ASP 96 17.149 0.039 2.723 751 HA ASP 96 HA ASP 96 18.334 0.947 4.306 752 HB2 ASP 96 HB2 ASP 96 19.168 2.234 2.431 753 HB3 ASP 96 HB1 ASP 96 18.034 3.531 2.788 754 H GLY 97 HN GLY 97 17.633 1.093 6.295 755 HA2 GLY 97 HA2 GLY 97 16.120 3.357 7.180 756 HA3 GLY 97 HA1 GLY 97 15.221 1.841 7.187 757 H GLN 98 HN GLN 98 15.244 2.453 9.535 758 HA GLN 98 HA GLN 98 17.766 1.879 10.843 759 HB2 GLN 98 HB2 GLN 98 15.099 2.632 12.021 760 HB3 GLN 98 HB1 GLN 98 16.619 2.474 12.895 761 HG2 GLN 98 HG2 GLN 98 17.558 4.312 11.602 762 HG3 GLN 98 HG1 GLN 98 16.040 4.473 10.722 763 HE21 GLN 98 HE21 GLN 98 17.672 5.031 13.708 764 HE22 GLN 98 HE22 GLN 98 16.443 6.015 14.422 Start of MODEL 16 1 H MET 3 HT1 MET 3 11.827 9.390 -4.839 2 HA MET 3 HA MET 3 12.806 9.866 -6.981 3 HB2 MET 3 HB2 MET 3 14.185 8.921 -5.110 4 HB3 MET 3 HB1 MET 3 13.919 7.324 -5.782 5 HG2 MET 3 HG2 MET 3 16.085 8.190 -6.448 6 HG3 MET 3 HG1 MET 3 15.010 7.965 -7.834 7 HE1 MET 3 HE1 MET 3 14.867 10.927 -5.210 8 HE2 MET 3 HE2 MET 3 15.933 12.100 -5.975 9 HE3 MET 3 HE3 MET 3 16.592 10.588 -5.352 10 H THR 4 HN THR 4 12.595 6.284 -6.887 11 HA THR 4 HA THR 4 12.099 6.406 -9.729 12 HB THR 4 HB THR 4 12.341 3.957 -9.551 13 HG1 THR 4 HG1 THR 4 12.030 4.036 -7.130 14 HG21 THR 4 HG21 THR 4 14.706 5.626 -8.668 15 HG22 THR 4 HG22 THR 4 14.186 5.351 -10.328 16 HG23 THR 4 HG23 THR 4 14.824 4.013 -9.371 17 H SER 5 HN SER 5 10.174 6.136 -10.436 18 HA SER 5 HA SER 5 8.076 5.512 -8.536 19 HB2 SER 5 HB2 SER 5 7.819 6.673 -11.306 20 HB3 SER 5 HB1 SER 5 6.499 6.462 -10.152 21 HG SER 5 HG SER 5 8.529 7.714 -8.952 22 HA PRO 6 HA PRO 6 7.166 2.161 -12.088 23 HB2 PRO 6 HB2 PRO 6 10.035 1.433 -12.460 24 HB3 PRO 6 HB1 PRO 6 8.708 1.349 -13.625 25 HG2 PRO 6 HG2 PRO 6 10.481 3.285 -13.817 26 HG3 PRO 6 HG1 PRO 6 8.756 3.644 -14.027 27 HD2 PRO 6 HD2 PRO 6 10.517 4.159 -11.665 28 HD3 PRO 6 HD1 PRO 6 9.245 5.174 -12.374 29 H GLN 7 HN GLN 7 10.242 1.667 -10.397 30 HA GLN 7 HA GLN 7 9.710 -0.908 -9.464 31 HB2 GLN 7 HB2 GLN 7 11.542 1.157 -8.242 32 HB3 GLN 7 HB1 GLN 7 11.594 -0.567 -7.903 33 HG2 GLN 7 HG2 GLN 7 13.331 -0.350 -9.390 34 HG3 GLN 7 HG1 GLN 7 12.012 -0.753 -10.477 35 HE21 GLN 7 HE21 GLN 7 14.491 0.644 -11.015 36 HE22 GLN 7 HE22 GLN 7 14.045 2.180 -11.670 37 H LEU 8 HN LEU 8 9.111 2.209 -8.102 38 HA LEU 8 HA LEU 8 8.451 1.677 -5.441 39 HB2 LEU 8 HB2 LEU 8 8.752 3.876 -6.733 40 HB3 LEU 8 HB1 LEU 8 7.117 3.670 -7.267 41 HG LEU 8 HG LEU 8 8.084 4.114 -4.525 42 HD11 LEU 8 HD11 LEU 8 6.527 5.845 -6.449 43 HD12 LEU 8 HD12 LEU 8 8.191 6.096 -5.910 44 HD13 LEU 8 HD13 LEU 8 6.854 6.293 -4.776 45 HD21 LEU 8 HD21 LEU 8 6.100 2.766 -4.325 46 HD22 LEU 8 HD22 LEU 8 5.255 3.770 -5.494 47 HD23 LEU 8 HD23 LEU 8 5.665 4.426 -3.898 48 H GLU 9 HN GLU 9 6.267 2.279 -8.151 49 HA GLU 9 HA GLU 9 3.943 1.419 -6.846 50 HB2 GLU 9 HB2 GLU 9 4.019 3.030 -8.659 51 HB3 GLU 9 HB1 GLU 9 4.507 1.776 -9.795 52 HG2 GLU 9 HG2 GLU 9 2.334 0.622 -9.313 53 HG3 GLU 9 HG1 GLU 9 1.864 2.023 -8.355 54 H TRP 10 HN TRP 10 6.267 -0.149 -8.953 55 HA TRP 10 HA TRP 10 4.935 -2.511 -9.447 56 HB2 TRP 10 HB2 TRP 10 6.974 -2.083 -10.642 57 HB3 TRP 10 HB1 TRP 10 7.890 -1.946 -9.147 58 HD1 TRP 10 HD1 TRP 10 6.341 -4.560 -11.455 59 HE1 TRP 10 HE1 TRP 10 7.343 -6.870 -10.879 60 HE3 TRP 10 HE3 TRP 10 9.014 -3.264 -7.334 61 HZ2 TRP 10 HZ2 TRP 10 9.046 -7.969 -8.911 62 HZ3 TRP 10 HZ3 TRP 10 10.296 -4.977 -6.154 63 HH2 TRP 10 HH2 TRP 10 10.322 -7.268 -6.905 64 H THR 11 HN THR 11 6.999 -1.631 -6.696 65 HA THR 11 HA THR 11 6.940 -4.209 -5.558 66 HB THR 11 HB THR 11 7.330 -1.614 -4.033 67 HG1 THR 11 HG1 THR 11 8.762 -1.819 -5.876 68 HG21 THR 11 HG21 THR 11 8.309 -4.435 -3.556 69 HG22 THR 11 HG22 THR 11 7.031 -3.619 -2.654 70 HG23 THR 11 HG23 THR 11 8.691 -3.031 -2.559 71 H LEU 12 HN LEU 12 4.985 -1.362 -4.994 72 HA LEU 12 HA LEU 12 3.336 -2.381 -2.990 73 HB2 LEU 12 HB2 LEU 12 2.955 -0.361 -5.123 74 HB3 LEU 12 HB1 LEU 12 1.689 -0.668 -3.939 75 HG LEU 12 HG LEU 12 4.480 0.349 -3.341 76 HD11 LEU 12 HD11 LEU 12 1.809 1.758 -3.293 77 HD12 LEU 12 HD12 LEU 12 3.074 1.991 -4.501 78 HD13 LEU 12 HD13 LEU 12 3.363 2.451 -2.825 79 HD21 LEU 12 HD21 LEU 12 3.596 0.717 -1.088 80 HD22 LEU 12 HD22 LEU 12 3.574 -0.989 -1.515 81 HD23 LEU 12 HD23 LEU 12 2.079 -0.050 -1.558 82 H GLN 13 HN GLN 13 2.901 -2.295 -6.519 83 HA GLN 13 HA GLN 13 0.375 -3.510 -6.479 84 HB2 GLN 13 HB2 GLN 13 0.513 -3.660 -8.861 85 HB3 GLN 13 HB1 GLN 13 1.305 -2.163 -8.381 86 HG2 GLN 13 HG2 GLN 13 3.470 -3.414 -8.555 87 HG3 GLN 13 HG1 GLN 13 2.568 -4.706 -9.322 88 HE21 GLN 13 HE21 GLN 13 1.928 -1.274 -9.763 89 HE22 GLN 13 HE22 GLN 13 2.349 -1.233 -11.425 90 H THR 14 HN THR 14 3.602 -4.900 -6.813 91 HA THR 14 HA THR 14 2.829 -7.498 -7.437 92 HB THR 14 HB THR 14 5.254 -6.528 -5.911 93 HG1 THR 14 HG1 THR 14 5.473 -5.597 -7.830 94 HG21 THR 14 HG21 THR 14 6.372 -8.503 -6.779 95 HG22 THR 14 HG22 THR 14 4.877 -9.053 -7.545 96 HG23 THR 14 HG23 THR 14 5.000 -8.990 -5.776 97 H LEU 15 HN LEU 15 3.026 -5.863 -4.343 98 HA LEU 15 HA LEU 15 2.517 -8.189 -2.746 99 HB2 LEU 15 HB2 LEU 15 2.144 -5.255 -2.203 100 HB3 LEU 15 HB1 LEU 15 2.016 -6.513 -0.992 101 HG LEU 15 HG LEU 15 4.552 -6.089 -2.548 102 HD11 LEU 15 HD11 LEU 15 5.341 -4.761 -0.648 103 HD12 LEU 15 HD12 LEU 15 3.745 -4.860 0.094 104 HD13 LEU 15 HD13 LEU 15 3.964 -3.980 -1.425 105 HD21 LEU 15 HD21 LEU 15 4.284 -8.227 -1.337 106 HD22 LEU 15 HD22 LEU 15 3.982 -7.346 0.159 107 HD23 LEU 15 HD23 LEU 15 5.542 -7.234 -0.615 108 H LEU 16 HN LEU 16 0.604 -5.506 -4.006 109 HA LEU 16 HA LEU 16 -1.838 -6.383 -2.847 110 HB2 LEU 16 HB2 LEU 16 -1.307 -4.345 -4.996 111 HB3 LEU 16 HB1 LEU 16 -2.844 -4.608 -4.192 112 HG LEU 16 HG LEU 16 -0.326 -3.726 -2.768 113 HD11 LEU 16 HD11 LEU 16 -1.078 -2.017 -4.317 114 HD12 LEU 16 HD12 LEU 16 -1.369 -1.531 -2.648 115 HD13 LEU 16 HD13 LEU 16 -2.706 -2.108 -3.644 116 HD21 LEU 16 HD21 LEU 16 -1.858 -3.182 -0.950 117 HD22 LEU 16 HD22 LEU 16 -1.906 -4.905 -1.332 118 HD23 LEU 16 HD23 LEU 16 -3.202 -3.837 -1.878 119 H GLU 17 HN GLU 17 -0.209 -7.317 -5.651 120 HA GLU 17 HA GLU 17 -2.595 -8.385 -6.891 121 HB2 GLU 17 HB2 GLU 17 0.331 -8.624 -7.612 122 HB3 GLU 17 HB1 GLU 17 -0.954 -9.393 -8.532 123 HG2 GLU 17 HG2 GLU 17 -1.912 -7.171 -9.026 124 HG3 GLU 17 HG1 GLU 17 -0.628 -6.395 -8.142 125 H GLN 18 HN GLN 18 -0.469 -9.267 -4.480 126 HA GLN 18 HA GLN 18 -1.015 -12.127 -4.752 127 HB2 GLN 18 HB2 GLN 18 0.866 -10.578 -2.970 128 HB3 GLN 18 HB1 GLN 18 0.584 -12.305 -2.775 129 HG2 GLN 18 HG2 GLN 18 1.456 -12.710 -5.008 130 HG3 GLN 18 HG1 GLN 18 1.657 -10.977 -5.260 131 HE21 GLN 18 HE21 GLN 18 3.338 -9.948 -4.295 132 HE22 GLN 18 HE22 GLN 18 4.673 -10.764 -3.538 133 H LEU 19 HN LEU 19 -2.057 -9.344 -3.067 134 HA LEU 19 HA LEU 19 -3.814 -11.000 -1.399 135 HB2 LEU 19 HB2 LEU 19 -3.472 -9.593 0.484 136 HB3 LEU 19 HB1 LEU 19 -1.864 -9.813 -0.175 137 HG LEU 19 HG LEU 19 -2.679 -7.543 -1.422 138 HD11 LEU 19 HD11 LEU 19 -4.682 -7.326 -0.300 139 HD12 LEU 19 HD12 LEU 19 -3.616 -6.016 0.222 140 HD13 LEU 19 HD13 LEU 19 -3.917 -7.399 1.291 141 HD21 LEU 19 HD21 LEU 19 -1.288 -6.295 0.100 142 HD22 LEU 19 HD22 LEU 19 -0.540 -7.779 -0.471 143 HD23 LEU 19 HD23 LEU 19 -1.189 -7.694 1.191 144 H ASN 20 HN ASN 20 -5.913 -10.557 -2.106 145 HA ASN 20 HA ASN 20 -6.727 -7.878 -2.359 146 HB2 ASN 20 HB2 ASN 20 -7.322 -7.801 -4.827 147 HB3 ASN 20 HB1 ASN 20 -5.621 -7.782 -4.436 148 HD21 ASN 20 HD21 ASN 20 -4.442 -9.626 -4.680 149 HD22 ASN 20 HD22 ASN 20 -4.821 -10.841 -5.866 150 H GLU 21 HN GLU 21 -7.648 -11.117 -3.414 151 HA GLU 21 HA GLU 21 -10.282 -10.839 -4.002 152 HB2 GLU 21 HB2 GLU 21 -8.739 -12.881 -4.104 153 HB3 GLU 21 HB1 GLU 21 -9.193 -13.182 -2.443 154 HG2 GLU 21 HG2 GLU 21 -11.137 -13.091 -4.741 155 HG3 GLU 21 HG1 GLU 21 -10.374 -14.558 -4.154 156 H ASP 22 HN ASP 22 -9.368 -11.992 -0.720 157 HA ASP 22 HA ASP 22 -11.671 -10.442 0.325 158 HB2 ASP 22 HB2 ASP 22 -11.971 -12.893 0.614 159 HB3 ASP 22 HB1 ASP 22 -10.402 -12.992 1.393 160 H GLU 23 HN GLU 23 -8.637 -10.277 -0.090 161 HA GLU 23 HA GLU 23 -7.559 -9.756 2.557 162 HB2 GLU 23 HB2 GLU 23 -6.210 -9.277 -0.068 163 HB3 GLU 23 HB1 GLU 23 -5.479 -9.635 1.487 164 HG2 GLU 23 HG2 GLU 23 -7.201 -11.493 -0.055 165 HG3 GLU 23 HG1 GLU 23 -5.430 -11.515 -0.161 166 H LEU 24 HN LEU 24 -8.429 -7.990 -0.392 167 HA LEU 24 HA LEU 24 -7.082 -5.608 0.363 168 HB2 LEU 24 HB2 LEU 24 -8.052 -6.549 -1.987 169 HB3 LEU 24 HB1 LEU 24 -9.322 -5.447 -1.539 170 HG LEU 24 HG LEU 24 -7.710 -3.598 -1.417 171 HD11 LEU 24 HD11 LEU 24 -5.740 -5.679 -2.358 172 HD12 LEU 24 HD12 LEU 24 -5.682 -4.792 -0.828 173 HD13 LEU 24 HD13 LEU 24 -5.455 -3.946 -2.353 174 HD21 LEU 24 HD21 LEU 24 -7.617 -5.146 -3.995 175 HD22 LEU 24 HD22 LEU 24 -7.298 -3.419 -3.796 176 HD23 LEU 24 HD23 LEU 24 -8.913 -4.059 -3.499 177 H LYS 25 HN LYS 25 -10.183 -6.934 0.898 178 HA LYS 25 HA LYS 25 -11.786 -4.787 1.654 179 HB2 LYS 25 HB2 LYS 25 -11.552 -7.518 2.925 180 HB3 LYS 25 HB1 LYS 25 -12.933 -6.437 3.061 181 HG2 LYS 25 HG2 LYS 25 -13.495 -6.701 0.810 182 HG3 LYS 25 HG1 LYS 25 -11.950 -7.472 0.429 183 HD2 LYS 25 HD2 LYS 25 -12.531 -9.362 1.758 184 HD3 LYS 25 HD1 LYS 25 -14.060 -8.622 2.256 185 HE2 LYS 25 HE2 LYS 25 -13.244 -9.395 -0.552 186 HE3 LYS 25 HE1 LYS 25 -14.389 -10.265 0.465 187 HZ1 LYS 25 HZ1 LYS 25 -15.824 -8.267 0.392 188 HZ2 LYS 25 HZ2 LYS 25 -15.549 -8.920 -1.107 189 HZ3 LYS 25 HZ3 LYS 25 -14.723 -7.536 -0.663 190 H SER 26 HN SER 26 -9.514 -6.762 3.564 191 HA SER 26 HA SER 26 -9.748 -5.497 5.981 192 HB2 SER 26 HB2 SER 26 -7.647 -7.101 4.621 193 HB3 SER 26 HB1 SER 26 -7.703 -6.791 6.340 194 HG SER 26 HG SER 26 -8.641 -8.818 5.731 195 H PHE 27 HN PHE 27 -7.284 -5.415 3.455 196 HA PHE 27 HA PHE 27 -5.492 -3.636 4.510 197 HB2 PHE 27 HB2 PHE 27 -5.143 -5.032 2.544 198 HB3 PHE 27 HB1 PHE 27 -6.293 -4.061 1.646 199 HD1 PHE 27 HD2 PHE 27 -5.595 -1.664 1.045 200 HD2 PHE 27 HD1 PHE 27 -2.880 -4.455 2.761 201 HE1 PHE 27 HE2 PHE 27 -3.704 -0.260 0.335 202 HE2 PHE 27 HE1 PHE 27 -0.986 -3.059 2.051 203 HZ PHE 27 HZ PHE 27 -1.397 -0.955 0.838 204 H LYS 28 HN LYS 28 -8.273 -2.854 2.402 205 HA LYS 28 HA LYS 28 -7.901 -0.070 2.273 206 HB2 LYS 28 HB2 LYS 28 -10.436 -1.704 2.066 207 HB3 LYS 28 HB1 LYS 28 -10.347 0.005 1.684 208 HG2 LYS 28 HG2 LYS 28 -8.823 -0.436 -0.142 209 HG3 LYS 28 HG1 LYS 28 -8.753 -2.143 0.292 210 HD2 LYS 28 HD2 LYS 28 -11.141 -2.378 -0.227 211 HD3 LYS 28 HD1 LYS 28 -11.224 -0.664 -0.647 212 HE2 LYS 28 HE2 LYS 28 -9.627 -1.010 -2.454 213 HE3 LYS 28 HE1 LYS 28 -9.461 -2.701 -1.996 214 HZ1 LYS 28 HZ1 LYS 28 -10.916 -2.353 -3.926 215 HZ2 LYS 28 HZ2 LYS 28 -11.999 -1.481 -2.980 216 HZ3 LYS 28 HZ3 LYS 28 -11.735 -3.093 -2.662 217 H SER 29 HN SER 29 -9.769 -2.051 4.562 218 HA SER 29 HA SER 29 -10.957 0.027 5.952 219 HB2 SER 29 HB2 SER 29 -10.302 -2.786 6.297 220 HB3 SER 29 HB1 SER 29 -11.158 -1.961 7.576 221 HG SER 29 HG SER 29 -11.931 -2.904 5.097 222 H LEU 30 HN LEU 30 -8.218 -2.023 6.611 223 HA LEU 30 HA LEU 30 -7.425 -0.948 9.072 224 HB2 LEU 30 HB2 LEU 30 -5.807 -2.303 6.950 225 HB3 LEU 30 HB1 LEU 30 -5.220 -1.969 8.570 226 HG LEU 30 HG LEU 30 -7.648 -3.662 8.022 227 HD11 LEU 30 HD11 LEU 30 -4.778 -4.469 8.472 228 HD12 LEU 30 HD12 LEU 30 -5.675 -4.635 6.967 229 HD13 LEU 30 HD13 LEU 30 -6.149 -5.577 8.387 230 HD21 LEU 30 HD21 LEU 30 -5.833 -3.424 10.406 231 HD22 LEU 30 HD22 LEU 30 -7.258 -4.456 10.285 232 HD23 LEU 30 HD23 LEU 30 -7.438 -2.700 10.290 233 H LEU 31 HN LEU 31 -6.703 0.141 5.798 234 HA LEU 31 HA LEU 31 -4.711 1.945 6.760 235 HB2 LEU 31 HB2 LEU 31 -4.292 2.532 4.506 236 HB3 LEU 31 HB1 LEU 31 -4.856 0.881 4.435 237 HG LEU 31 HG LEU 31 -7.153 1.935 3.822 238 HD11 LEU 31 HD11 LEU 31 -6.523 4.227 4.308 239 HD12 LEU 31 HD12 LEU 31 -6.954 4.042 2.601 240 HD13 LEU 31 HD13 LEU 31 -5.258 4.148 3.088 241 HD21 LEU 31 HD21 LEU 31 -4.823 1.963 1.904 242 HD22 LEU 31 HD22 LEU 31 -6.527 1.887 1.461 243 HD23 LEU 31 HD23 LEU 31 -5.782 0.548 2.334 244 H TRP 32 HN TRP 32 -8.056 1.931 6.616 245 HA TRP 32 HA TRP 32 -8.320 4.801 6.748 246 HB2 TRP 32 HB2 TRP 32 -9.955 2.808 5.854 247 HB3 TRP 32 HB1 TRP 32 -10.643 3.142 7.443 248 HD1 TRP 32 HD1 TRP 32 -12.272 5.175 7.530 249 HE1 TRP 32 HE1 TRP 32 -12.778 7.150 5.914 250 HE3 TRP 32 HE3 TRP 32 -8.688 4.283 4.128 251 HZ2 TRP 32 HZ2 TRP 32 -11.759 8.158 3.496 252 HZ3 TRP 32 HZ3 TRP 32 -8.478 5.792 2.149 253 HH2 TRP 32 HH2 TRP 32 -9.996 7.682 1.864 254 H ALA 33 HN ALA 33 -7.578 2.282 8.754 255 HA ALA 33 HA ALA 33 -8.987 3.213 11.107 256 HB1 ALA 33 HB1 ALA 33 -8.112 1.244 12.209 257 HB2 ALA 33 HB2 ALA 33 -7.098 0.892 10.810 258 HB3 ALA 33 HB3 ALA 33 -8.851 0.807 10.669 259 H PHE 34 HN PHE 34 -5.686 3.206 9.807 260 HA PHE 34 HA PHE 34 -4.651 4.109 12.308 261 HB2 PHE 34 HB2 PHE 34 -2.498 4.238 11.250 262 HB3 PHE 34 HB1 PHE 34 -3.267 2.820 10.579 263 HD1 PHE 34 HD1 PHE 34 -2.374 6.340 9.888 264 HD2 PHE 34 HD2 PHE 34 -3.518 2.598 8.262 265 HE1 PHE 34 HE1 PHE 34 -1.838 7.176 7.644 266 HE2 PHE 34 HE2 PHE 34 -2.995 3.429 5.991 267 HZ PHE 34 HZ PHE 34 -2.168 5.734 5.689 268 HA PRO 35 HA PRO 35 -5.617 8.372 11.852 269 HB2 PRO 35 HB2 PRO 35 -3.355 9.576 12.870 270 HB3 PRO 35 HB1 PRO 35 -4.640 8.895 13.873 271 HG2 PRO 35 HG2 PRO 35 -1.999 7.718 13.118 272 HG3 PRO 35 HG1 PRO 35 -2.863 7.630 14.662 273 HD2 PRO 35 HD2 PRO 35 -2.821 5.581 12.902 274 HD3 PRO 35 HD1 PRO 35 -4.218 5.905 13.945 275 H LEU 36 HN LEU 36 -5.712 8.948 9.823 276 HA LEU 36 HA LEU 36 -3.571 8.891 7.969 277 HB2 LEU 36 HB2 LEU 36 -6.114 10.469 7.888 278 HB3 LEU 36 HB1 LEU 36 -5.091 10.143 6.509 279 HG LEU 36 HG LEU 36 -6.748 8.126 8.036 280 HD11 LEU 36 HD11 LEU 36 -7.913 7.852 5.942 281 HD12 LEU 36 HD12 LEU 36 -6.866 9.056 5.198 282 HD13 LEU 36 HD13 LEU 36 -7.993 9.540 6.477 283 HD21 LEU 36 HD21 LEU 36 -5.962 6.498 6.388 284 HD22 LEU 36 HD22 LEU 36 -4.665 7.112 7.407 285 HD23 LEU 36 HD23 LEU 36 -4.837 7.701 5.749 286 H GLU 37 HN GLU 37 -2.160 10.480 7.413 287 HA GLU 37 HA GLU 37 -2.314 12.765 9.187 288 HB2 GLU 37 HB2 GLU 37 0.127 11.437 8.054 289 HB3 GLU 37 HB1 GLU 37 0.141 12.881 9.066 290 HG2 GLU 37 HG2 GLU 37 -1.000 11.622 10.840 291 HG3 GLU 37 HG1 GLU 37 -0.923 10.182 9.840 292 H ASP 38 HN ASP 38 -2.814 14.513 8.407 293 HA ASP 38 HA ASP 38 -3.238 16.258 7.123 294 HB2 ASP 38 HB2 ASP 38 -0.975 16.791 7.751 295 HB3 ASP 38 HB1 ASP 38 -0.344 15.896 6.375 296 H VAL 39 HN VAL 39 -1.064 14.920 4.682 297 HA VAL 39 HA VAL 39 -2.793 15.674 2.552 298 HB VAL 39 HB VAL 39 -0.492 13.689 2.484 299 HG11 VAL 39 HG11 VAL 39 -0.370 14.234 0.076 300 HG12 VAL 39 HG12 VAL 39 -1.860 15.172 0.230 301 HG13 VAL 39 HG13 VAL 39 -1.874 13.432 0.519 302 HG21 VAL 39 HG21 VAL 39 0.870 15.563 1.678 303 HG22 VAL 39 HG22 VAL 39 0.236 15.870 3.295 304 HG23 VAL 39 HG23 VAL 39 -0.500 16.651 1.897 305 H LEU 40 HN LEU 40 -2.420 12.826 4.434 306 HA LEU 40 HA LEU 40 -3.878 11.111 2.643 307 HB2 LEU 40 HB2 LEU 40 -3.141 10.776 5.518 308 HB3 LEU 40 HB1 LEU 40 -3.848 9.523 4.515 309 HG LEU 40 HG LEU 40 -1.149 10.803 4.103 310 HD11 LEU 40 HD11 LEU 40 -1.258 9.439 6.099 311 HD12 LEU 40 HD12 LEU 40 -0.306 8.644 4.845 312 HD13 LEU 40 HD13 LEU 40 -1.960 8.116 5.169 313 HD21 LEU 40 HD21 LEU 40 -2.481 8.471 2.721 314 HD22 LEU 40 HD22 LEU 40 -0.813 8.987 2.489 315 HD23 LEU 40 HD23 LEU 40 -2.139 10.049 2.010 316 H GLN 41 HN GLN 41 -4.812 13.551 4.730 317 HA GLN 41 HA GLN 41 -7.230 12.273 5.614 318 HB2 GLN 41 HB2 GLN 41 -6.284 15.120 5.953 319 HB3 GLN 41 HB1 GLN 41 -7.747 14.451 6.672 320 HG2 GLN 41 HG2 GLN 41 -6.451 12.888 7.959 321 HG3 GLN 41 HG1 GLN 41 -4.975 13.413 7.162 322 HE21 GLN 41 HE21 GLN 41 -7.510 15.582 8.232 323 HE22 GLN 41 HE22 GLN 41 -6.573 16.334 9.462 324 H LYS 42 HN LYS 42 -7.706 11.779 3.528 325 HA LYS 42 HA LYS 42 -9.912 13.061 2.489 326 HB2 LYS 42 HB2 LYS 42 -8.268 14.673 1.506 327 HB3 LYS 42 HB1 LYS 42 -7.409 13.340 0.763 328 HG2 LYS 42 HG2 LYS 42 -9.522 12.805 -0.485 329 HG3 LYS 42 HG1 LYS 42 -10.172 14.329 0.125 330 HD2 LYS 42 HD2 LYS 42 -8.310 15.529 -0.928 331 HD3 LYS 42 HD1 LYS 42 -7.686 13.995 -1.536 332 HE2 LYS 42 HE2 LYS 42 -9.767 13.655 -2.792 333 HE3 LYS 42 HE1 LYS 42 -10.356 15.210 -2.214 334 HZ1 LYS 42 HZ1 LYS 42 -9.445 15.391 -4.421 335 HZ2 LYS 42 HZ2 LYS 42 -7.963 14.784 -3.916 336 HZ3 LYS 42 HZ3 LYS 42 -8.494 16.283 -3.356 337 H THR 43 HN THR 43 -7.238 11.597 0.727 338 HA THR 43 HA THR 43 -7.093 9.838 -0.598 339 HB THR 43 HB THR 43 -8.032 8.396 1.901 340 HG1 THR 43 HG1 THR 43 -6.322 9.465 2.648 341 HG21 THR 43 HG21 THR 43 -6.559 6.592 1.095 342 HG22 THR 43 HG22 THR 43 -6.155 7.546 -0.329 343 HG23 THR 43 HG23 THR 43 -7.797 6.946 -0.111 344 HA PRO 44 HA PRO 44 -11.340 9.827 -2.244 345 HB2 PRO 44 HB2 PRO 44 -10.582 8.798 -4.703 346 HB3 PRO 44 HB1 PRO 44 -10.572 10.516 -4.299 347 HG2 PRO 44 HG2 PRO 44 -8.319 8.549 -4.239 348 HG3 PRO 44 HG1 PRO 44 -8.318 10.211 -4.846 349 HD2 PRO 44 HD2 PRO 44 -7.276 9.638 -2.503 350 HD3 PRO 44 HD1 PRO 44 -8.242 11.119 -2.691 351 H TRP 45 HN TRP 45 -12.292 8.205 -1.064 352 HA TRP 45 HA TRP 45 -11.446 5.531 -1.184 353 HB2 TRP 45 HB2 TRP 45 -12.596 6.389 0.821 354 HB3 TRP 45 HB1 TRP 45 -14.064 6.627 -0.112 355 HD1 TRP 45 HD1 TRP 45 -15.402 4.374 -0.867 356 HE1 TRP 45 HE1 TRP 45 -15.542 2.066 0.184 357 HE3 TRP 45 HE3 TRP 45 -11.254 4.591 2.132 358 HZ2 TRP 45 HZ2 TRP 45 -14.091 0.495 2.023 359 HZ3 TRP 45 HZ3 TRP 45 -10.712 2.615 3.500 360 HH2 TRP 45 HH2 TRP 45 -12.096 0.623 3.452 361 H SER 46 HN SER 46 -13.738 7.358 -3.087 362 HA SER 46 HA SER 46 -15.119 5.136 -4.133 363 HB2 SER 46 HB2 SER 46 -15.838 7.559 -4.391 364 HB3 SER 46 HB1 SER 46 -14.565 7.737 -5.598 365 HG SER 46 HG SER 46 -16.064 7.112 -6.906 366 H GLU 47 HN GLU 47 -12.109 6.710 -5.000 367 HA GLU 47 HA GLU 47 -11.505 5.141 -7.271 368 HB2 GLU 47 HB2 GLU 47 -9.800 6.663 -5.306 369 HB3 GLU 47 HB1 GLU 47 -9.115 5.798 -6.670 370 HG2 GLU 47 HG2 GLU 47 -11.210 7.920 -6.980 371 HG3 GLU 47 HG1 GLU 47 -9.482 8.273 -6.982 372 H VAL 48 HN VAL 48 -10.567 4.952 -3.880 373 HA VAL 48 HA VAL 48 -9.018 2.666 -3.854 374 HB VAL 48 HB VAL 48 -10.899 3.629 -1.686 375 HG11 VAL 48 HG11 VAL 48 -9.485 2.442 -0.100 376 HG12 VAL 48 HG12 VAL 48 -8.597 1.720 -1.448 377 HG13 VAL 48 HG13 VAL 48 -10.316 1.375 -1.228 378 HG21 VAL 48 HG21 VAL 48 -8.929 4.695 -0.724 379 HG22 VAL 48 HG22 VAL 48 -9.305 5.314 -2.331 380 HG23 VAL 48 HG23 VAL 48 -7.970 4.177 -2.117 381 H GLU 49 HN GLU 49 -12.493 2.925 -3.346 382 HA GLU 49 HA GLU 49 -13.171 0.326 -2.653 383 HB2 GLU 49 HB2 GLU 49 -14.476 2.588 -2.797 384 HB3 GLU 49 HB1 GLU 49 -15.005 1.898 -4.329 385 HG2 GLU 49 HG2 GLU 49 -15.131 0.463 -1.732 386 HG3 GLU 49 HG1 GLU 49 -16.429 1.462 -2.323 387 H GLU 50 HN GLU 50 -13.263 1.858 -5.865 388 HA GLU 50 HA GLU 50 -13.927 -0.680 -7.011 389 HB2 GLU 50 HB2 GLU 50 -13.526 1.994 -8.334 390 HB3 GLU 50 HB1 GLU 50 -14.093 0.539 -9.143 391 HG2 GLU 50 HG2 GLU 50 -15.985 0.502 -7.463 392 HG3 GLU 50 HG1 GLU 50 -15.468 2.112 -6.981 393 H ALA 51 HN ALA 51 -11.150 0.528 -6.049 394 HA ALA 51 HA ALA 51 -9.505 -0.388 -8.282 395 HB1 ALA 51 HB1 ALA 51 -8.861 1.691 -7.168 396 HB2 ALA 51 HB2 ALA 51 -7.629 0.441 -7.017 397 HB3 ALA 51 HB3 ALA 51 -8.686 0.807 -5.656 398 H ASP 52 HN ASP 52 -8.091 -2.013 -8.123 399 HA ASP 52 HA ASP 52 -8.112 -3.621 -5.731 400 HB2 ASP 52 HB2 ASP 52 -8.450 -5.656 -6.986 401 HB3 ASP 52 HB1 ASP 52 -9.787 -4.569 -7.336 402 H GLY 53 HN GLY 53 -6.209 -4.714 -5.469 403 HA2 GLY 53 HA2 GLY 53 -3.940 -5.090 -5.584 404 HA3 GLY 53 HA1 GLY 53 -4.357 -5.502 -7.224 405 H LYS 54 HN LYS 54 -3.623 -4.417 -8.834 406 HA LYS 54 HA LYS 54 -1.403 -2.631 -8.598 407 HB2 LYS 54 HB2 LYS 54 -2.087 -4.169 -10.534 408 HB3 LYS 54 HB1 LYS 54 -3.067 -2.788 -11.036 409 HG2 LYS 54 HG2 LYS 54 -0.946 -1.426 -10.645 410 HG3 LYS 54 HG1 LYS 54 -0.109 -2.942 -10.672 411 HD2 LYS 54 HD2 LYS 54 0.027 -2.096 -12.876 412 HD3 LYS 54 HD1 LYS 54 -1.204 -3.362 -12.931 413 HE2 LYS 54 HE2 LYS 54 -2.922 -1.742 -12.651 414 HE3 LYS 54 HE1 LYS 54 -1.734 -0.469 -12.514 415 HZ1 LYS 54 HZ1 LYS 54 -2.207 -2.132 -14.958 416 HZ2 LYS 54 HZ2 LYS 54 -0.988 -0.997 -14.822 417 HZ3 LYS 54 HZ3 LYS 54 -2.600 -0.495 -14.802 418 H LYS 55 HN LYS 55 -4.783 -2.017 -9.237 419 HA LYS 55 HA LYS 55 -4.342 0.652 -9.862 420 HB2 LYS 55 HB2 LYS 55 -6.737 -0.908 -9.142 421 HB3 LYS 55 HB1 LYS 55 -6.879 0.838 -9.057 422 HG2 LYS 55 HG2 LYS 55 -6.015 -0.754 -11.422 423 HG3 LYS 55 HG1 LYS 55 -7.657 -0.121 -11.189 424 HD2 LYS 55 HD2 LYS 55 -5.110 1.521 -11.498 425 HD3 LYS 55 HD1 LYS 55 -6.347 1.313 -12.728 426 HE2 LYS 55 HE2 LYS 55 -7.980 2.420 -11.279 427 HE3 LYS 55 HE1 LYS 55 -6.748 2.608 -10.036 428 HZ1 LYS 55 HZ1 LYS 55 -5.498 4.067 -11.551 429 HZ2 LYS 55 HZ2 LYS 55 -7.051 4.623 -11.283 430 HZ3 LYS 55 HZ3 LYS 55 -6.690 3.854 -12.735 431 H LEU 56 HN LEU 56 -4.939 -1.003 -6.867 432 HA LEU 56 HA LEU 56 -5.556 1.309 -5.433 433 HB2 LEU 56 HB2 LEU 56 -6.200 -0.962 -4.674 434 HB3 LEU 56 HB1 LEU 56 -4.522 -1.285 -4.316 435 HG LEU 56 HG LEU 56 -4.486 0.354 -2.537 436 HD11 LEU 56 HD11 LEU 56 -6.501 1.605 -1.906 437 HD12 LEU 56 HD12 LEU 56 -7.334 0.982 -3.333 438 HD13 LEU 56 HD13 LEU 56 -5.936 2.046 -3.514 439 HD21 LEU 56 HD21 LEU 56 -6.968 -1.330 -2.402 440 HD22 LEU 56 HD22 LEU 56 -6.153 -0.584 -1.030 441 HD23 LEU 56 HD23 LEU 56 -5.334 -1.847 -1.964 442 H ALA 57 HN ALA 57 -2.601 -0.349 -6.170 443 HA ALA 57 HA ALA 57 -0.793 0.917 -4.453 444 HB1 ALA 57 HB1 ALA 57 -0.192 -0.996 -5.878 445 HB2 ALA 57 HB2 ALA 57 0.928 0.347 -6.092 446 HB3 ALA 57 HB3 ALA 57 -0.316 0.037 -7.300 447 H GLU 58 HN GLU 58 -2.107 1.963 -7.531 448 HA GLU 58 HA GLU 58 -0.438 4.204 -7.922 449 HB2 GLU 58 HB2 GLU 58 -1.674 3.141 -9.732 450 HB3 GLU 58 HB1 GLU 58 -3.196 3.596 -8.986 451 HG2 GLU 58 HG2 GLU 58 -2.622 5.959 -9.314 452 HG3 GLU 58 HG1 GLU 58 -1.134 5.467 -10.118 453 H ILE 59 HN ILE 59 -3.386 3.705 -6.153 454 HA ILE 59 HA ILE 59 -4.024 6.456 -5.814 455 HB ILE 59 HB ILE 59 -5.004 3.974 -4.349 456 HG12 ILE 59 HG12 ILE 59 -6.427 5.569 -6.438 457 HG13 ILE 59 HG11 ILE 59 -5.290 4.300 -6.904 458 HG21 ILE 59 HG21 ILE 59 -5.413 6.024 -3.018 459 HG22 ILE 59 HG22 ILE 59 -6.922 5.376 -3.669 460 HG23 ILE 59 HG23 ILE 59 -6.169 6.778 -4.425 461 HD11 ILE 59 HD11 ILE 59 -6.722 2.758 -5.578 462 HD12 ILE 59 HD12 ILE 59 -7.433 3.421 -7.013 463 HD13 ILE 59 HD13 ILE 59 -7.900 4.073 -5.422 464 H LEU 60 HN LEU 60 -2.198 4.078 -4.009 465 HA LEU 60 HA LEU 60 -1.750 5.641 -1.694 466 HB2 LEU 60 HB2 LEU 60 -0.325 3.280 -2.873 467 HB3 LEU 60 HB1 LEU 60 0.455 4.179 -1.600 468 HG LEU 60 HG LEU 60 -0.597 2.205 -0.706 469 HD11 LEU 60 HD11 LEU 60 -2.100 4.666 0.139 470 HD12 LEU 60 HD12 LEU 60 -0.526 4.131 0.731 471 HD13 LEU 60 HD13 LEU 60 -1.964 3.159 1.043 472 HD21 LEU 60 HD21 LEU 60 -3.181 3.308 -1.768 473 HD22 LEU 60 HD22 LEU 60 -3.026 1.891 -0.718 474 HD23 LEU 60 HD23 LEU 60 -2.355 1.861 -2.351 475 H VAL 61 HN VAL 61 0.103 5.256 -4.698 476 HA VAL 61 HA VAL 61 2.191 7.003 -3.836 477 HB VAL 61 HB VAL 61 3.134 6.882 -6.040 478 HG11 VAL 61 HG11 VAL 61 1.940 4.236 -5.295 479 HG12 VAL 61 HG12 VAL 61 3.446 4.930 -4.691 480 HG13 VAL 61 HG13 VAL 61 3.300 4.473 -6.390 481 HG21 VAL 61 HG21 VAL 61 0.523 5.683 -6.946 482 HG22 VAL 61 HG22 VAL 61 1.987 5.751 -7.926 483 HG23 VAL 61 HG23 VAL 61 1.185 7.244 -7.430 484 H ASN 62 HN ASN 62 -0.874 7.569 -5.030 485 HA ASN 62 HA ASN 62 -0.353 10.126 -6.206 486 HB2 ASN 62 HB2 ASN 62 -2.377 8.785 -6.867 487 HB3 ASN 62 HB1 ASN 62 -2.967 8.960 -5.236 488 HD21 ASN 62 HD21 ASN 62 -4.045 10.628 -4.725 489 HD22 ASN 62 HD22 ASN 62 -4.406 12.006 -5.717 490 H THR 63 HN THR 63 -1.222 8.949 -3.007 491 HA THR 63 HA THR 63 -1.565 11.692 -2.136 492 HB THR 63 HB THR 63 -2.284 10.574 0.041 493 HG1 THR 63 HG1 THR 63 -2.896 8.296 -1.515 494 HG21 THR 63 HG21 THR 63 -4.549 10.105 -0.851 495 HG22 THR 63 HG22 THR 63 -3.894 10.140 -2.491 496 HG23 THR 63 HG23 THR 63 -3.870 11.598 -1.495 497 H SER 64 HN SER 64 0.638 8.960 -1.647 498 HA SER 64 HA SER 64 2.258 10.826 -0.095 499 HB2 SER 64 HB2 SER 64 1.056 9.272 1.443 500 HB3 SER 64 HB1 SER 64 1.837 7.914 0.638 501 HG SER 64 HG SER 64 2.756 9.118 2.678 502 H SER 65 HN SER 65 4.508 9.826 0.189 503 HA SER 65 HA SER 65 5.443 8.895 -2.440 504 HB2 SER 65 HB2 SER 65 6.928 10.388 -0.265 505 HB3 SER 65 HB1 SER 65 7.550 9.993 -1.872 506 HG SER 65 HG SER 65 5.438 11.177 -2.480 507 H GLU 66 HN GLU 66 7.367 7.465 -2.352 508 HA GLU 66 HA GLU 66 6.637 5.158 -0.962 509 HB2 GLU 66 HB2 GLU 66 8.506 4.067 -1.981 510 HB3 GLU 66 HB1 GLU 66 7.822 5.241 -3.091 511 HG2 GLU 66 HG2 GLU 66 10.312 5.709 -1.476 512 HG3 GLU 66 HG1 GLU 66 10.283 5.095 -3.128 513 H ASN 67 HN ASN 67 8.968 7.593 -0.271 514 HA ASN 67 HA ASN 67 10.406 6.260 1.745 515 HB2 ASN 67 HB2 ASN 67 11.176 8.328 0.617 516 HB3 ASN 67 HB1 ASN 67 9.936 9.240 1.464 517 HD21 ASN 67 HD21 ASN 67 12.921 7.431 1.831 518 HD22 ASN 67 HD22 ASN 67 13.379 8.128 3.327 519 H TRP 68 HN TRP 68 7.232 7.432 1.795 520 HA TRP 68 HA TRP 68 7.159 7.175 4.719 521 HB2 TRP 68 HB2 TRP 68 6.303 9.342 3.716 522 HB3 TRP 68 HB1 TRP 68 5.032 8.406 2.938 523 HD1 TRP 68 HD1 TRP 68 6.061 9.840 6.295 524 HE1 TRP 68 HE1 TRP 68 4.123 9.542 7.975 525 HE3 TRP 68 HE3 TRP 68 2.988 6.860 3.507 526 HZ2 TRP 68 HZ2 TRP 68 1.653 8.230 8.102 527 HZ3 TRP 68 HZ3 TRP 68 0.867 6.133 4.482 528 HH2 TRP 68 HH2 TRP 68 0.214 6.803 6.734 529 H ILE 69 HN ILE 69 5.561 6.232 1.682 530 HA ILE 69 HA ILE 69 3.607 4.501 2.681 531 HB ILE 69 HB ILE 69 5.080 4.248 0.030 532 HG12 ILE 69 HG12 ILE 69 2.421 5.554 0.605 533 HG13 ILE 69 HG11 ILE 69 3.934 6.446 0.427 534 HG21 ILE 69 HG21 ILE 69 2.410 3.111 0.880 535 HG22 ILE 69 HG22 ILE 69 3.885 2.189 0.591 536 HG23 ILE 69 HG23 ILE 69 3.090 3.025 -0.746 537 HD11 ILE 69 HD11 ILE 69 2.615 6.503 -1.604 538 HD12 ILE 69 HD12 ILE 69 2.612 4.737 -1.668 539 HD13 ILE 69 HD13 ILE 69 4.125 5.627 -1.858 540 H ARG 70 HN ARG 70 7.013 3.988 2.189 541 HA ARG 70 HA ARG 70 7.248 1.234 2.179 542 HB2 ARG 70 HB2 ARG 70 9.513 1.526 2.946 543 HB3 ARG 70 HB1 ARG 70 9.125 2.823 1.829 544 HG2 ARG 70 HG2 ARG 70 8.776 4.342 3.732 545 HG3 ARG 70 HG1 ARG 70 9.169 3.031 4.836 546 HD2 ARG 70 HD2 ARG 70 11.406 2.885 3.691 547 HD3 ARG 70 HD1 ARG 70 10.988 4.376 2.845 548 HE ARG 70 HE ARG 70 10.615 4.611 5.639 549 HH11 ARG 70 HH11 ARG 70 13.034 5.112 3.056 550 HH12 ARG 70 HH12 ARG 70 14.208 5.692 4.115 551 HH21 ARG 70 HH21 ARG 70 12.301 5.508 7.065 552 HH22 ARG 70 HH22 ARG 70 13.791 5.940 6.381 553 H ASN 71 HN ASN 71 6.506 3.342 4.833 554 HA ASN 71 HA ASN 71 6.824 1.232 6.829 555 HB2 ASN 71 HB2 ASN 71 7.557 3.488 7.406 556 HB3 ASN 71 HB1 ASN 71 5.974 4.134 7.011 557 HD21 ASN 71 HD21 ASN 71 5.694 5.003 9.001 558 HD22 ASN 71 HD22 ASN 71 5.354 4.073 10.412 559 H ALA 72 HN ALA 72 4.393 3.193 5.263 560 HA ALA 72 HA ALA 72 2.147 2.512 6.776 561 HB1 ALA 72 HB1 ALA 72 2.210 3.295 3.883 562 HB2 ALA 72 HB2 ALA 72 2.272 4.410 5.248 563 HB3 ALA 72 HB3 ALA 72 0.837 3.416 4.983 564 H THR 73 HN THR 73 3.178 1.156 3.622 565 HA THR 73 HA THR 73 0.977 -0.601 3.486 566 HB THR 73 HB THR 73 2.246 0.072 1.453 567 HG1 THR 73 HG1 THR 73 1.799 -2.622 2.083 568 HG21 THR 73 HG21 THR 73 4.530 -0.021 2.351 569 HG22 THR 73 HG22 THR 73 4.389 -1.016 0.902 570 HG23 THR 73 HG23 THR 73 4.409 -1.775 2.496 571 H VAL 74 HN VAL 74 4.098 -0.857 4.926 572 HA VAL 74 HA VAL 74 4.114 -3.635 5.351 573 HB VAL 74 HB VAL 74 5.624 -1.330 6.592 574 HG11 VAL 74 HG11 VAL 74 7.061 -2.968 7.697 575 HG12 VAL 74 HG12 VAL 74 6.010 -4.272 7.143 576 HG13 VAL 74 HG13 VAL 74 5.407 -3.083 8.299 577 HG21 VAL 74 HG21 VAL 74 6.433 -3.584 4.770 578 HG22 VAL 74 HG22 VAL 74 7.499 -2.319 5.379 579 HG23 VAL 74 HG23 VAL 74 6.167 -1.906 4.301 580 H ASN 75 HN ASN 75 3.235 -0.888 7.403 581 HA ASN 75 HA ASN 75 2.505 -2.280 9.737 582 HB2 ASN 75 HB2 ASN 75 2.710 0.220 9.506 583 HB3 ASN 75 HB1 ASN 75 1.179 0.217 8.649 584 HD21 ASN 75 HD21 ASN 75 2.150 -1.611 11.533 585 HD22 ASN 75 HD22 ASN 75 0.956 -0.956 12.569 586 H ILE 76 HN ILE 76 0.615 -1.563 6.860 587 HA ILE 76 HA ILE 76 -1.841 -2.584 7.884 588 HB ILE 76 HB ILE 76 -1.076 -2.525 4.949 589 HG12 ILE 76 HG12 ILE 76 -0.720 -0.282 5.924 590 HG13 ILE 76 HG11 ILE 76 -2.081 -0.287 4.815 591 HG21 ILE 76 HG21 ILE 76 -3.749 -2.423 6.342 592 HG22 ILE 76 HG22 ILE 76 -3.079 -3.798 5.466 593 HG23 ILE 76 HG23 ILE 76 -3.503 -2.324 4.597 594 HD11 ILE 76 HD11 ILE 76 -2.549 1.066 6.745 595 HD12 ILE 76 HD12 ILE 76 -2.224 -0.294 7.828 596 HD13 ILE 76 HD13 ILE 76 -3.611 -0.341 6.731 597 H LEU 77 HN LEU 77 0.655 -4.036 5.803 598 HA LEU 77 HA LEU 77 -0.485 -6.591 5.589 599 HB2 LEU 77 HB2 LEU 77 2.265 -5.477 5.264 600 HB3 LEU 77 HB1 LEU 77 2.054 -7.213 5.306 601 HG LEU 77 HG LEU 77 0.274 -5.824 3.418 602 HD11 LEU 77 HD11 LEU 77 2.079 -5.593 1.737 603 HD12 LEU 77 HD12 LEU 77 3.272 -6.089 2.938 604 HD13 LEU 77 HD13 LEU 77 2.421 -4.556 3.120 605 HD21 LEU 77 HD21 LEU 77 2.086 -8.205 3.267 606 HD22 LEU 77 HD22 LEU 77 0.935 -7.706 2.030 607 HD23 LEU 77 HD23 LEU 77 0.359 -8.215 3.618 608 H GLU 78 HN GLU 78 1.760 -5.258 7.951 609 HA GLU 78 HA GLU 78 2.074 -7.579 9.482 610 HB2 GLU 78 HB2 GLU 78 2.390 -4.667 10.088 611 HB3 GLU 78 HB1 GLU 78 2.757 -5.828 11.330 612 HG2 GLU 78 HG2 GLU 78 4.353 -6.869 9.614 613 HG3 GLU 78 HG1 GLU 78 4.088 -5.410 8.668 614 H GLU 79 HN GLU 79 -0.461 -5.233 9.352 615 HA GLU 79 HA GLU 79 -1.630 -5.941 11.875 616 HB2 GLU 79 HB2 GLU 79 -1.876 -3.719 10.515 617 HB3 GLU 79 HB1 GLU 79 -3.139 -4.584 9.652 618 HG2 GLU 79 HG2 GLU 79 -4.050 -3.244 11.440 619 HG3 GLU 79 HG1 GLU 79 -4.328 -4.967 11.730 620 H MET 80 HN MET 80 -1.833 -7.035 8.614 621 HA MET 80 HA MET 80 -4.169 -8.684 9.169 622 HB2 MET 80 HB2 MET 80 -2.489 -8.403 6.679 623 HB3 MET 80 HB1 MET 80 -3.846 -9.508 6.831 624 HG2 MET 80 HG2 MET 80 -5.325 -7.583 7.217 625 HG3 MET 80 HG1 MET 80 -3.948 -6.510 6.994 626 HE1 MET 80 HE1 MET 80 -4.718 -9.850 4.982 627 HE2 MET 80 HE2 MET 80 -5.681 -9.206 3.656 628 HE3 MET 80 HE3 MET 80 -6.307 -9.156 5.300 629 H ASN 81 HN ASN 81 -0.971 -8.858 9.794 630 HA ASN 81 HA ASN 81 0.524 -10.481 10.343 631 HB2 ASN 81 HB2 ASN 81 -1.428 -11.315 11.732 632 HB3 ASN 81 HB1 ASN 81 -1.895 -12.338 10.385 633 HD21 ASN 81 HD21 ASN 81 -1.694 -14.164 11.646 634 HD22 ASN 81 HD22 ASN 81 -0.180 -14.845 12.106 635 H LEU 82 HN LEU 82 0.082 -9.819 7.691 636 HA LEU 82 HA LEU 82 0.210 -12.240 6.096 637 HB2 LEU 82 HB2 LEU 82 0.188 -9.317 5.468 638 HB3 LEU 82 HB1 LEU 82 0.572 -10.507 4.241 639 HG LEU 82 HG LEU 82 -2.026 -10.341 5.765 640 HD11 LEU 82 HD11 LEU 82 -1.328 -9.699 2.894 641 HD12 LEU 82 HD12 LEU 82 -1.751 -8.520 4.142 642 HD13 LEU 82 HD13 LEU 82 -2.947 -9.688 3.588 643 HD21 LEU 82 HD21 LEU 82 -1.391 -12.596 5.198 644 HD22 LEU 82 HD22 LEU 82 -1.056 -12.068 3.552 645 HD23 LEU 82 HD23 LEU 82 -2.728 -12.045 4.154 646 H THR 83 HN THR 83 2.055 -12.670 7.496 647 HA THR 83 HA THR 83 4.475 -11.338 7.598 648 HB THR 83 HB THR 83 5.410 -13.738 7.878 649 HG1 THR 83 HG1 THR 83 3.530 -15.102 8.528 650 HG21 THR 83 HG21 THR 83 4.517 -13.790 10.170 651 HG22 THR 83 HG22 THR 83 3.329 -12.550 9.736 652 HG23 THR 83 HG23 THR 83 5.062 -12.183 9.708 653 H GLU 84 HN GLU 84 3.896 -14.140 5.574 654 HA GLU 84 HA GLU 84 6.238 -14.371 4.275 655 HB2 GLU 84 HB2 GLU 84 4.899 -15.249 2.314 656 HB3 GLU 84 HB1 GLU 84 4.641 -16.029 3.879 657 HG2 GLU 84 HG2 GLU 84 2.556 -14.699 4.128 658 HG3 GLU 84 HG1 GLU 84 2.846 -13.982 2.554 659 H LEU 85 HN LEU 85 3.609 -12.468 2.814 660 HA LEU 85 HA LEU 85 5.509 -11.398 0.949 661 HB2 LEU 85 HB2 LEU 85 3.712 -10.242 -0.190 662 HB3 LEU 85 HB1 LEU 85 3.311 -11.918 0.056 663 HG LEU 85 HG LEU 85 2.188 -9.645 1.703 664 HD11 LEU 85 HD11 LEU 85 0.165 -9.942 0.386 665 HD12 LEU 85 HD12 LEU 85 0.987 -11.138 -0.620 666 HD13 LEU 85 HD13 LEU 85 1.523 -9.455 -0.631 667 HD21 LEU 85 HD21 LEU 85 0.458 -11.321 2.280 668 HD22 LEU 85 HD22 LEU 85 2.050 -11.729 2.897 669 HD23 LEU 85 HD23 LEU 85 1.420 -12.560 1.470 670 H CYS 86 HN CYS 86 4.176 -10.336 3.929 671 HA CYS 86 HA CYS 86 4.710 -7.572 3.637 672 HB2 CYS 86 HB2 CYS 86 3.362 -8.626 5.475 673 HB3 CYS 86 HB1 CYS 86 4.872 -9.302 6.032 674 HG CYS 86 HG CYS 86 5.527 -7.416 7.540 675 H LYS 87 HN LYS 87 6.597 -10.335 4.707 676 HA LYS 87 HA LYS 87 8.951 -8.940 5.416 677 HB2 LYS 87 HB2 LYS 87 8.563 -11.792 4.515 678 HB3 LYS 87 HB1 LYS 87 10.015 -11.157 5.286 679 HG2 LYS 87 HG2 LYS 87 8.896 -10.845 7.344 680 HG3 LYS 87 HG1 LYS 87 7.310 -11.041 6.586 681 HD2 LYS 87 HD2 LYS 87 7.837 -13.046 7.803 682 HD3 LYS 87 HD1 LYS 87 7.911 -13.397 6.078 683 HE2 LYS 87 HE2 LYS 87 9.733 -14.429 6.992 684 HE3 LYS 87 HE1 LYS 87 10.372 -12.951 6.249 685 HZ1 LYS 87 HZ1 LYS 87 9.897 -13.448 9.143 686 HZ2 LYS 87 HZ2 LYS 87 10.168 -11.930 8.579 687 HZ3 LYS 87 HZ3 LYS 87 11.382 -13.105 8.438 688 H MET 88 HN MET 88 7.542 -9.664 2.425 689 HA MET 88 HA MET 88 9.963 -9.462 0.856 690 HB2 MET 88 HB2 MET 88 7.048 -9.252 0.048 691 HB3 MET 88 HB1 MET 88 8.396 -9.291 -1.074 692 HG2 MET 88 HG2 MET 88 8.910 -11.554 -0.411 693 HG3 MET 88 HG1 MET 88 7.649 -11.508 0.816 694 HE1 MET 88 HE1 MET 88 6.157 -13.992 -1.817 695 HE2 MET 88 HE2 MET 88 6.549 -13.731 -0.119 696 HE3 MET 88 HE3 MET 88 7.841 -13.824 -1.316 697 H ALA 89 HN ALA 89 7.145 -7.552 1.689 698 HA ALA 89 HA ALA 89 7.847 -5.182 0.364 699 HB1 ALA 89 HB1 ALA 89 6.217 -4.094 1.780 700 HB2 ALA 89 HB2 ALA 89 6.240 -5.467 2.889 701 HB3 ALA 89 HB3 ALA 89 5.604 -5.668 1.256 702 H LYS 90 HN LYS 90 8.518 -6.318 3.617 703 HA LYS 90 HA LYS 90 9.830 -3.949 4.446 704 HB2 LYS 90 HB2 LYS 90 10.034 -6.738 5.609 705 HB3 LYS 90 HB1 LYS 90 10.550 -5.252 6.404 706 HG2 LYS 90 HG2 LYS 90 8.259 -4.422 6.360 707 HG3 LYS 90 HG1 LYS 90 7.739 -5.892 5.551 708 HD2 LYS 90 HD2 LYS 90 7.143 -6.153 7.816 709 HD3 LYS 90 HD1 LYS 90 8.577 -7.140 7.579 710 HE2 LYS 90 HE2 LYS 90 9.963 -5.437 8.611 711 HE3 LYS 90 HE1 LYS 90 8.574 -4.361 8.753 712 HZ1 LYS 90 HZ1 LYS 90 7.548 -5.892 10.325 713 HZ2 LYS 90 HZ2 LYS 90 9.146 -5.626 10.844 714 HZ3 LYS 90 HZ3 LYS 90 8.749 -7.026 9.997 715 H ALA 91 HN ALA 91 10.775 -6.388 2.356 716 HA ALA 91 HA ALA 91 13.582 -5.713 2.756 717 HB1 ALA 91 HB1 ALA 91 12.418 -8.079 1.277 718 HB2 ALA 91 HB2 ALA 91 12.987 -8.129 2.932 719 HB3 ALA 91 HB3 ALA 91 14.126 -7.812 1.620 720 H GLU 92 HN GLU 92 10.995 -5.036 0.796 721 HA GLU 92 HA GLU 92 12.715 -4.344 -1.507 722 HB2 GLU 92 HB2 GLU 92 9.919 -5.296 -1.386 723 HB3 GLU 92 HB1 GLU 92 10.513 -4.583 -2.872 724 HG2 GLU 92 HG2 GLU 92 12.367 -6.436 -2.628 725 HG3 GLU 92 HG1 GLU 92 11.273 -7.109 -1.440 726 H MET 93 HN MET 93 9.572 -3.494 -0.121 727 HA MET 93 HA MET 93 9.472 -0.894 -1.276 728 HB2 MET 93 HB2 MET 93 7.769 -2.589 0.289 729 HB3 MET 93 HB1 MET 93 7.835 -1.000 1.034 730 HG2 MET 93 HG2 MET 93 7.422 -1.092 -1.868 731 HG3 MET 93 HG1 MET 93 6.113 -1.724 -0.903 732 HE1 MET 93 HE1 MET 93 8.682 1.301 -0.473 733 HE2 MET 93 HE2 MET 93 7.640 2.657 -0.880 734 HE3 MET 93 HE3 MET 93 8.070 1.474 -2.124 735 H MET 94 HN MET 94 10.372 -2.165 1.842 736 HA MET 94 HA MET 94 11.196 0.421 2.764 737 HB2 MET 94 HB2 MET 94 11.895 -2.328 3.822 738 HB3 MET 94 HB1 MET 94 12.245 -0.802 4.624 739 HG2 MET 94 HG2 MET 94 9.811 -0.368 4.738 740 HG3 MET 94 HG1 MET 94 9.562 -1.957 4.025 741 HE1 MET 94 HE1 MET 94 11.455 -1.314 8.207 742 HE2 MET 94 HE2 MET 94 10.923 0.004 7.163 743 HE3 MET 94 HE3 MET 94 12.319 -0.974 6.711 744 H GLU 95 HN GLU 95 12.965 1.350 2.220 745 HA GLU 95 HA GLU 95 14.784 0.045 0.461 746 HB2 GLU 95 HB2 GLU 95 15.813 2.354 0.353 747 HB3 GLU 95 HB1 GLU 95 14.126 2.301 -0.126 748 HG2 GLU 95 HG2 GLU 95 13.580 3.050 2.236 749 HG3 GLU 95 HG1 GLU 95 15.302 3.354 2.427 750 H ASP 96 HN ASP 96 16.141 -1.212 1.306 751 HA ASP 96 HA ASP 96 17.167 -2.370 2.696 752 HB2 ASP 96 HB2 ASP 96 18.961 -0.914 2.421 753 HB3 ASP 96 HB1 ASP 96 18.300 0.274 3.537 754 H GLY 97 HN GLY 97 15.357 -3.163 3.562 755 HA2 GLY 97 HA2 GLY 97 14.843 -2.375 6.341 756 HA3 GLY 97 HA1 GLY 97 13.642 -3.089 5.261 757 H GLN 98 HN GLN 98 14.597 -4.133 7.808 758 HA GLN 98 HA GLN 98 16.279 -6.319 7.054 759 HB2 GLN 98 HB2 GLN 98 16.116 -7.052 9.304 760 HB3 GLN 98 HB1 GLN 98 16.708 -5.373 9.206 761 HG2 GLN 98 HG2 GLN 98 13.963 -6.336 10.054 762 HG3 GLN 98 HG1 GLN 98 15.223 -5.794 11.152 763 HE21 GLN 98 HE21 GLN 98 12.558 -4.831 10.963 764 HE22 GLN 98 HE22 GLN 98 12.608 -3.175 10.551 Start of MODEL 17 1 H MET 3 HT1 MET 3 16.163 6.364 -4.578 2 HA MET 3 HA MET 3 14.868 4.337 -4.471 3 HB2 MET 3 HB2 MET 3 12.688 6.229 -3.526 4 HB3 MET 3 HB1 MET 3 12.426 4.576 -4.046 5 HG2 MET 3 HG2 MET 3 13.689 3.754 -2.177 6 HG3 MET 3 HG1 MET 3 14.128 5.405 -1.760 7 HE1 MET 3 HE1 MET 3 10.590 4.137 -2.990 8 HE2 MET 3 HE2 MET 3 9.828 3.727 -1.453 9 HE3 MET 3 HE3 MET 3 11.211 2.799 -2.025 10 H THR 4 HN THR 4 12.746 4.178 -5.919 11 HA THR 4 HA THR 4 12.803 6.284 -7.931 12 HB THR 4 HB THR 4 12.341 4.411 -9.584 13 HG1 THR 4 HG1 THR 4 13.722 2.770 -7.768 14 HG21 THR 4 HG21 THR 4 14.463 5.601 -9.609 15 HG22 THR 4 HG22 THR 4 14.754 3.886 -9.899 16 HG23 THR 4 HG23 THR 4 15.081 4.585 -8.313 17 H SER 5 HN SER 5 10.809 6.907 -8.614 18 HA SER 5 HA SER 5 8.606 6.184 -7.100 19 HB2 SER 5 HB2 SER 5 7.452 7.601 -9.016 20 HB3 SER 5 HB1 SER 5 8.510 8.354 -7.818 21 HG SER 5 HG SER 5 8.858 8.758 -10.177 22 HA PRO 6 HA PRO 6 6.881 3.727 -10.994 23 HB2 PRO 6 HB2 PRO 6 8.806 2.496 -12.510 24 HB3 PRO 6 HB1 PRO 6 8.073 4.042 -12.946 25 HG2 PRO 6 HG2 PRO 6 10.667 3.503 -11.557 26 HG3 PRO 6 HG1 PRO 6 10.318 4.639 -12.874 27 HD2 PRO 6 HD2 PRO 6 10.522 5.493 -10.364 28 HD3 PRO 6 HD1 PRO 6 9.290 6.162 -11.453 29 H GLN 7 HN GLN 7 9.975 2.726 -9.594 30 HA GLN 7 HA GLN 7 9.117 -0.003 -9.550 31 HB2 GLN 7 HB2 GLN 7 11.658 1.271 -8.556 32 HB3 GLN 7 HB1 GLN 7 11.353 -0.468 -8.590 33 HG2 GLN 7 HG2 GLN 7 11.115 -0.459 -10.960 34 HG3 GLN 7 HG1 GLN 7 11.195 1.295 -11.020 35 HE21 GLN 7 HE21 GLN 7 12.861 1.329 -12.396 36 HE22 GLN 7 HE22 GLN 7 14.471 0.856 -11.996 37 H LEU 8 HN LEU 8 9.224 2.634 -7.310 38 HA LEU 8 HA LEU 8 8.600 1.362 -4.903 39 HB2 LEU 8 HB2 LEU 8 8.794 3.714 -4.856 40 HB3 LEU 8 HB1 LEU 8 7.677 3.914 -6.192 41 HG LEU 8 HG LEU 8 6.007 2.824 -4.477 42 HD11 LEU 8 HD11 LEU 8 6.287 3.690 -2.222 43 HD12 LEU 8 HD12 LEU 8 7.964 4.079 -2.624 44 HD13 LEU 8 HD13 LEU 8 7.400 2.408 -2.684 45 HD21 LEU 8 HD21 LEU 8 6.744 5.736 -4.581 46 HD22 LEU 8 HD22 LEU 8 5.272 5.090 -3.846 47 HD23 LEU 8 HD23 LEU 8 5.572 4.841 -5.566 48 H GLU 9 HN GLU 9 6.569 2.602 -7.439 49 HA GLU 9 HA GLU 9 4.090 1.858 -6.593 50 HB2 GLU 9 HB2 GLU 9 4.759 3.416 -8.392 51 HB3 GLU 9 HB1 GLU 9 5.076 2.038 -9.435 52 HG2 GLU 9 HG2 GLU 9 2.617 1.420 -9.034 53 HG3 GLU 9 HG1 GLU 9 2.501 3.063 -8.363 54 H TRP 10 HN TRP 10 6.367 0.239 -8.799 55 HA TRP 10 HA TRP 10 5.003 -2.086 -9.356 56 HB2 TRP 10 HB2 TRP 10 7.051 -1.634 -10.568 57 HB3 TRP 10 HB1 TRP 10 7.988 -1.642 -9.076 58 HD1 TRP 10 HD1 TRP 10 6.256 -4.074 -11.497 59 HE1 TRP 10 HE1 TRP 10 7.207 -6.431 -11.132 60 HE3 TRP 10 HE3 TRP 10 9.171 -3.160 -7.415 61 HZ2 TRP 10 HZ2 TRP 10 8.943 -7.748 -9.319 62 HZ3 TRP 10 HZ3 TRP 10 10.434 -5.011 -6.411 63 HH2 TRP 10 HH2 TRP 10 10.325 -7.247 -7.313 64 H THR 11 HN THR 11 7.216 -1.467 -6.629 65 HA THR 11 HA THR 11 7.058 -4.141 -5.737 66 HB THR 11 HB THR 11 7.756 -1.837 -3.903 67 HG1 THR 11 HG1 THR 11 9.007 -1.739 -5.934 68 HG21 THR 11 HG21 THR 11 8.660 -4.705 -4.109 69 HG22 THR 11 HG22 THR 11 7.526 -4.066 -2.921 70 HG23 THR 11 HG23 THR 11 9.213 -3.541 -2.909 71 H LEU 12 HN LEU 12 5.320 -1.248 -4.875 72 HA LEU 12 HA LEU 12 3.793 -2.218 -2.781 73 HB2 LEU 12 HB2 LEU 12 3.177 -0.255 -4.934 74 HB3 LEU 12 HB1 LEU 12 2.116 -0.486 -3.552 75 HG LEU 12 HG LEU 12 4.945 0.573 -3.516 76 HD11 LEU 12 HD11 LEU 12 3.351 2.143 -4.436 77 HD12 LEU 12 HD12 LEU 12 3.840 2.665 -2.824 78 HD13 LEU 12 HD13 LEU 12 2.272 1.889 -3.069 79 HD21 LEU 12 HD21 LEU 12 2.964 0.182 -1.270 80 HD22 LEU 12 HD22 LEU 12 4.515 1.014 -1.142 81 HD23 LEU 12 HD23 LEU 12 4.472 -0.709 -1.495 82 H GLN 13 HN GLN 13 3.049 -1.986 -6.288 83 HA GLN 13 HA GLN 13 0.519 -3.147 -6.149 84 HB2 GLN 13 HB2 GLN 13 0.515 -3.249 -8.554 85 HB3 GLN 13 HB1 GLN 13 1.424 -1.811 -8.107 86 HG2 GLN 13 HG2 GLN 13 3.475 -2.932 -8.565 87 HG3 GLN 13 HG1 GLN 13 2.618 -4.428 -8.910 88 HE21 GLN 13 HE21 GLN 13 1.403 -4.606 -10.749 89 HE22 GLN 13 HE22 GLN 13 1.579 -3.509 -12.084 90 H THR 14 HN THR 14 3.666 -4.600 -6.664 91 HA THR 14 HA THR 14 2.819 -7.137 -7.407 92 HB THR 14 HB THR 14 5.333 -6.383 -5.887 93 HG1 THR 14 HG1 THR 14 5.382 -5.234 -7.764 94 HG21 THR 14 HG21 THR 14 4.937 -8.838 -6.001 95 HG22 THR 14 HG22 THR 14 6.324 -8.312 -6.974 96 HG23 THR 14 HG23 THR 14 4.797 -8.693 -7.762 97 H LEU 15 HN LEU 15 3.214 -5.758 -4.190 98 HA LEU 15 HA LEU 15 2.688 -8.185 -2.762 99 HB2 LEU 15 HB2 LEU 15 2.406 -5.298 -1.962 100 HB3 LEU 15 HB1 LEU 15 2.312 -6.649 -0.859 101 HG LEU 15 HG LEU 15 4.788 -6.134 -2.493 102 HD11 LEU 15 HD11 LEU 15 4.317 -4.134 -1.148 103 HD12 LEU 15 HD12 LEU 15 5.698 -5.035 -0.511 104 HD13 LEU 15 HD13 LEU 15 4.128 -5.151 0.286 105 HD21 LEU 15 HD21 LEU 15 4.517 -8.372 -1.484 106 HD22 LEU 15 HD22 LEU 15 4.319 -7.626 0.106 107 HD23 LEU 15 HD23 LEU 15 5.835 -7.476 -0.742 108 H LEU 16 HN LEU 16 0.804 -5.434 -3.837 109 HA LEU 16 HA LEU 16 -1.619 -6.317 -2.621 110 HB2 LEU 16 HB2 LEU 16 -1.157 -4.174 -4.704 111 HB3 LEU 16 HB1 LEU 16 -2.635 -4.423 -3.794 112 HG LEU 16 HG LEU 16 0.000 -3.647 -2.553 113 HD11 LEU 16 HD11 LEU 16 -0.889 -1.878 -3.958 114 HD12 LEU 16 HD12 LEU 16 -1.006 -1.457 -2.250 115 HD13 LEU 16 HD13 LEU 16 -2.443 -1.985 -3.132 116 HD21 LEU 16 HD21 LEU 16 -1.365 -3.181 -0.583 117 HD22 LEU 16 HD22 LEU 16 -1.448 -4.886 -1.034 118 HD23 LEU 16 HD23 LEU 16 -2.788 -3.798 -1.418 119 H GLU 17 HN GLU 17 -0.048 -7.142 -5.527 120 HA GLU 17 HA GLU 17 -2.495 -8.141 -6.718 121 HB2 GLU 17 HB2 GLU 17 0.384 -8.300 -7.654 122 HB3 GLU 17 HB1 GLU 17 -0.977 -8.970 -8.552 123 HG2 GLU 17 HG2 GLU 17 -1.966 -6.738 -8.737 124 HG3 GLU 17 HG1 GLU 17 -0.623 -6.065 -7.826 125 H GLN 18 HN GLN 18 -0.627 -9.054 -4.320 126 HA GLN 18 HA GLN 18 -1.029 -11.941 -4.709 127 HB2 GLN 18 HB2 GLN 18 0.486 -10.446 -2.569 128 HB3 GLN 18 HB1 GLN 18 0.431 -12.200 -2.750 129 HG2 GLN 18 HG2 GLN 18 1.570 -12.021 -4.866 130 HG3 GLN 18 HG1 GLN 18 1.559 -10.264 -4.749 131 HE21 GLN 18 HE21 GLN 18 3.630 -10.021 -4.785 132 HE22 GLN 18 HE22 GLN 18 4.760 -10.545 -3.579 133 H LEU 19 HN LEU 19 -1.733 -9.192 -2.633 134 HA LEU 19 HA LEU 19 -3.854 -10.770 -1.373 135 HB2 LEU 19 HB2 LEU 19 -3.620 -9.466 0.562 136 HB3 LEU 19 HB1 LEU 19 -1.968 -9.787 0.061 137 HG LEU 19 HG LEU 19 -2.544 -7.412 -1.158 138 HD11 LEU 19 HD11 LEU 19 -3.436 -5.906 0.537 139 HD12 LEU 19 HD12 LEU 19 -3.948 -7.341 1.469 140 HD13 LEU 19 HD13 LEU 19 -4.556 -7.068 -0.167 141 HD21 LEU 19 HD21 LEU 19 -1.151 -6.334 0.485 142 HD22 LEU 19 HD22 LEU 19 -0.477 -7.827 -0.138 143 HD23 LEU 19 HD23 LEU 19 -1.186 -7.791 1.504 144 H ASN 20 HN ASN 20 -5.722 -10.299 -2.392 145 HA ASN 20 HA ASN 20 -6.567 -7.599 -2.488 146 HB2 ASN 20 HB2 ASN 20 -6.939 -7.389 -4.967 147 HB3 ASN 20 HB1 ASN 20 -5.267 -7.313 -4.411 148 HD21 ASN 20 HD21 ASN 20 -4.005 -9.066 -4.676 149 HD22 ASN 20 HD22 ASN 20 -4.253 -10.248 -5.937 150 H GLU 21 HN GLU 21 -7.194 -10.867 -3.522 151 HA GLU 21 HA GLU 21 -9.668 -10.888 -4.559 152 HB2 GLU 21 HB2 GLU 21 -8.306 -12.865 -4.153 153 HB3 GLU 21 HB1 GLU 21 -8.639 -12.758 -2.437 154 HG2 GLU 21 HG2 GLU 21 -10.972 -13.207 -2.821 155 HG3 GLU 21 HG1 GLU 21 -10.710 -13.219 -4.566 156 H ASP 22 HN ASP 22 -9.524 -11.658 -1.064 157 HA ASP 22 HA ASP 22 -11.633 -9.645 -0.785 158 HB2 ASP 22 HB2 ASP 22 -12.384 -12.079 -0.527 159 HB3 ASP 22 HB1 ASP 22 -11.390 -12.134 0.926 160 H GLU 23 HN GLU 23 -8.627 -10.377 -0.329 161 HA GLU 23 HA GLU 23 -7.969 -9.940 2.387 162 HB2 GLU 23 HB2 GLU 23 -6.100 -9.196 0.186 163 HB3 GLU 23 HB1 GLU 23 -5.731 -10.008 1.691 164 HG2 GLU 23 HG2 GLU 23 -6.779 -11.118 -0.898 165 HG3 GLU 23 HG1 GLU 23 -5.368 -11.598 0.006 166 H LEU 24 HN LEU 24 -8.370 -7.918 -0.396 167 HA LEU 24 HA LEU 24 -6.985 -5.662 0.576 168 HB2 LEU 24 HB2 LEU 24 -7.787 -6.389 -1.853 169 HB3 LEU 24 HB1 LEU 24 -9.118 -5.358 -1.427 170 HG LEU 24 HG LEU 24 -7.580 -3.484 -1.029 171 HD11 LEU 24 HD11 LEU 24 -5.505 -5.431 -2.030 172 HD12 LEU 24 HD12 LEU 24 -5.547 -4.674 -0.430 173 HD13 LEU 24 HD13 LEU 24 -5.258 -3.701 -1.868 174 HD21 LEU 24 HD21 LEU 24 -8.647 -3.768 -3.181 175 HD22 LEU 24 HD22 LEU 24 -7.334 -4.826 -3.694 176 HD23 LEU 24 HD23 LEU 24 -7.017 -3.119 -3.370 177 H LYS 25 HN LYS 25 -10.197 -6.833 1.053 178 HA LYS 25 HA LYS 25 -11.522 -4.433 1.555 179 HB2 LYS 25 HB2 LYS 25 -12.016 -7.207 2.461 180 HB3 LYS 25 HB1 LYS 25 -13.013 -5.842 2.970 181 HG2 LYS 25 HG2 LYS 25 -14.157 -6.428 1.161 182 HG3 LYS 25 HG1 LYS 25 -13.067 -5.305 0.468 183 HD2 LYS 25 HD2 LYS 25 -11.582 -6.953 -0.400 184 HD3 LYS 25 HD1 LYS 25 -12.444 -8.239 0.444 185 HE2 LYS 25 HE2 LYS 25 -13.596 -6.535 -1.759 186 HE3 LYS 25 HE1 LYS 25 -12.931 -8.147 -1.986 187 HZ1 LYS 25 HZ1 LYS 25 -15.298 -8.275 -1.798 188 HZ2 LYS 25 HZ2 LYS 25 -15.304 -7.423 -0.364 189 HZ3 LYS 25 HZ3 LYS 25 -14.632 -8.983 -0.404 190 H SER 26 HN SER 26 -9.686 -6.663 3.654 191 HA SER 26 HA SER 26 -10.003 -5.422 6.064 192 HB2 SER 26 HB2 SER 26 -7.825 -6.993 4.765 193 HB3 SER 26 HB1 SER 26 -7.933 -6.682 6.483 194 HG SER 26 HG SER 26 -10.282 -7.627 5.762 195 H PHE 27 HN PHE 27 -7.445 -5.279 3.627 196 HA PHE 27 HA PHE 27 -5.662 -3.524 4.733 197 HB2 PHE 27 HB2 PHE 27 -5.259 -4.854 2.742 198 HB3 PHE 27 HB1 PHE 27 -6.429 -3.907 1.850 199 HD1 PHE 27 HD2 PHE 27 -5.795 -1.385 1.466 200 HD2 PHE 27 HD1 PHE 27 -2.998 -4.308 2.776 201 HE1 PHE 27 HE2 PHE 27 -3.943 0.079 0.775 202 HE2 PHE 27 HE1 PHE 27 -1.145 -2.849 2.087 203 HZ PHE 27 HZ PHE 27 -1.615 -0.650 1.088 204 H LYS 28 HN LYS 28 -8.361 -2.700 2.545 205 HA LYS 28 HA LYS 28 -7.961 0.060 2.364 206 HB2 LYS 28 HB2 LYS 28 -10.587 -1.452 2.269 207 HB3 LYS 28 HB1 LYS 28 -10.356 0.198 1.718 208 HG2 LYS 28 HG2 LYS 28 -8.841 -0.571 -0.021 209 HG3 LYS 28 HG1 LYS 28 -8.986 -2.226 0.566 210 HD2 LYS 28 HD2 LYS 28 -11.420 -2.141 0.070 211 HD3 LYS 28 HD1 LYS 28 -11.196 -0.537 -0.633 212 HE2 LYS 28 HE2 LYS 28 -9.571 -1.516 -2.226 213 HE3 LYS 28 HE1 LYS 28 -9.903 -3.102 -1.543 214 HZ1 LYS 28 HZ1 LYS 28 -11.851 -1.375 -2.993 215 HZ2 LYS 28 HZ2 LYS 28 -12.226 -2.861 -2.291 216 HZ3 LYS 28 HZ3 LYS 28 -11.127 -2.775 -3.558 217 H SER 29 HN SER 29 -10.000 -1.780 4.637 218 HA SER 29 HA SER 29 -11.027 0.352 6.004 219 HB2 SER 29 HB2 SER 29 -10.601 -2.498 6.337 220 HB3 SER 29 HB1 SER 29 -11.308 -1.632 7.670 221 HG SER 29 HG SER 29 -12.675 -0.818 5.657 222 H LEU 30 HN LEU 30 -8.378 -1.828 6.803 223 HA LEU 30 HA LEU 30 -7.613 -0.753 9.276 224 HB2 LEU 30 HB2 LEU 30 -5.900 -2.017 7.157 225 HB3 LEU 30 HB1 LEU 30 -5.413 -1.788 8.824 226 HG LEU 30 HG LEU 30 -7.796 -3.429 8.017 227 HD11 LEU 30 HD11 LEU 30 -6.318 -5.387 8.357 228 HD12 LEU 30 HD12 LEU 30 -4.949 -4.288 8.594 229 HD13 LEU 30 HD13 LEU 30 -5.766 -4.358 7.034 230 HD21 LEU 30 HD21 LEU 30 -6.181 -3.268 10.562 231 HD22 LEU 30 HD22 LEU 30 -7.493 -4.402 10.260 232 HD23 LEU 30 HD23 LEU 30 -7.825 -2.669 10.322 233 H LEU 31 HN LEU 31 -6.671 0.113 6.047 234 HA LEU 31 HA LEU 31 -4.799 2.115 6.660 235 HB2 LEU 31 HB2 LEU 31 -4.588 1.399 4.560 236 HB3 LEU 31 HB1 LEU 31 -6.274 1.059 4.348 237 HG LEU 31 HG LEU 31 -6.425 3.694 4.137 238 HD11 LEU 31 HD11 LEU 31 -4.458 4.706 3.129 239 HD12 LEU 31 HD12 LEU 31 -3.532 3.248 3.497 240 HD13 LEU 31 HD13 LEU 31 -4.206 4.224 4.805 241 HD21 LEU 31 HD21 LEU 31 -5.292 1.936 1.977 242 HD22 LEU 31 HD22 LEU 31 -6.022 3.530 1.724 243 HD23 LEU 31 HD23 LEU 31 -6.996 2.207 2.367 244 H TRP 32 HN TRP 32 -8.280 2.092 6.549 245 HA TRP 32 HA TRP 32 -8.345 4.968 6.703 246 HB2 TRP 32 HB2 TRP 32 -10.014 3.151 5.567 247 HB3 TRP 32 HB1 TRP 32 -10.904 3.574 7.045 248 HD1 TRP 32 HD1 TRP 32 -12.230 5.858 6.934 249 HE1 TRP 32 HE1 TRP 32 -12.291 7.819 5.223 250 HE3 TRP 32 HE3 TRP 32 -8.449 4.382 4.032 251 HZ2 TRP 32 HZ2 TRP 32 -10.856 8.592 2.894 252 HZ3 TRP 32 HZ3 TRP 32 -7.781 5.759 2.027 253 HH2 TRP 32 HH2 TRP 32 -8.992 7.821 1.498 254 H ALA 33 HN ALA 33 -7.653 2.671 8.780 255 HA ALA 33 HA ALA 33 -9.330 3.598 10.998 256 HB1 ALA 33 HB1 ALA 33 -7.527 1.180 10.878 257 HB2 ALA 33 HB2 ALA 33 -9.272 1.169 10.631 258 HB3 ALA 33 HB3 ALA 33 -8.609 1.607 12.203 259 H PHE 34 HN PHE 34 -5.977 3.372 9.919 260 HA PHE 34 HA PHE 34 -4.919 4.311 12.413 261 HB2 PHE 34 HB2 PHE 34 -2.737 4.202 11.319 262 HB3 PHE 34 HB1 PHE 34 -3.685 2.870 10.691 263 HD1 PHE 34 HD1 PHE 34 -2.890 6.409 9.747 264 HD2 PHE 34 HD2 PHE 34 -3.570 2.401 8.512 265 HE1 PHE 34 HE1 PHE 34 -2.353 7.034 7.458 266 HE2 PHE 34 HE2 PHE 34 -3.033 3.042 6.199 267 HZ PHE 34 HZ PHE 34 -2.448 5.365 5.677 268 HA PRO 35 HA PRO 35 -5.460 8.655 11.608 269 HB2 PRO 35 HB2 PRO 35 -3.136 9.777 12.491 270 HB3 PRO 35 HB1 PRO 35 -4.378 9.174 13.593 271 HG2 PRO 35 HG2 PRO 35 -1.845 7.854 12.700 272 HG3 PRO 35 HG1 PRO 35 -2.566 7.913 14.319 273 HD2 PRO 35 HD2 PRO 35 -2.804 5.736 12.714 274 HD3 PRO 35 HD1 PRO 35 -4.073 6.230 13.846 275 H LEU 36 HN LEU 36 -5.598 9.032 9.516 276 HA LEU 36 HA LEU 36 -3.447 8.814 7.680 277 HB2 LEU 36 HB2 LEU 36 -6.059 10.154 7.567 278 HB3 LEU 36 HB1 LEU 36 -5.007 10.130 6.181 279 HG LEU 36 HG LEU 36 -5.167 7.574 6.252 280 HD11 LEU 36 HD11 LEU 36 -7.521 8.135 8.022 281 HD12 LEU 36 HD12 LEU 36 -6.029 7.288 8.462 282 HD13 LEU 36 HD13 LEU 36 -7.114 6.589 7.267 283 HD21 LEU 36 HD21 LEU 36 -7.299 7.510 5.097 284 HD22 LEU 36 HD22 LEU 36 -6.303 8.880 4.576 285 HD23 LEU 36 HD23 LEU 36 -7.649 9.130 5.697 286 H GLU 37 HN GLU 37 -1.975 10.225 7.249 287 HA GLU 37 HA GLU 37 -2.011 12.700 8.722 288 HB2 GLU 37 HB2 GLU 37 0.189 11.381 7.173 289 HB3 GLU 37 HB1 GLU 37 0.351 12.762 8.256 290 HG2 GLU 37 HG2 GLU 37 -0.446 11.395 10.109 291 HG3 GLU 37 HG1 GLU 37 -0.583 10.029 9.017 292 H ASP 38 HN ASP 38 -2.620 14.446 7.866 293 HA ASP 38 HA ASP 38 -3.319 16.038 6.421 294 HB2 ASP 38 HB2 ASP 38 -1.108 16.782 6.980 295 HB3 ASP 38 HB1 ASP 38 -0.399 15.812 5.698 296 H VAL 39 HN VAL 39 -1.069 14.697 4.047 297 HA VAL 39 HA VAL 39 -2.822 15.302 1.934 298 HB VAL 39 HB VAL 39 -0.372 15.255 1.686 299 HG11 VAL 39 HG11 VAL 39 0.851 13.179 1.398 300 HG12 VAL 39 HG12 VAL 39 -0.608 12.268 1.740 301 HG13 VAL 39 HG13 VAL 39 0.123 13.261 3.008 302 HG21 VAL 39 HG21 VAL 39 -1.830 13.419 -0.201 303 HG22 VAL 39 HG22 VAL 39 -0.284 14.198 -0.535 304 HG23 VAL 39 HG23 VAL 39 -1.738 15.176 -0.306 305 H LEU 40 HN LEU 40 -2.531 12.473 3.882 306 HA LEU 40 HA LEU 40 -3.841 10.787 2.007 307 HB2 LEU 40 HB2 LEU 40 -3.314 10.475 4.916 308 HB3 LEU 40 HB1 LEU 40 -4.391 9.374 4.086 309 HG LEU 40 HG LEU 40 -2.465 8.935 2.507 310 HD11 LEU 40 HD11 LEU 40 -0.226 9.289 3.417 311 HD12 LEU 40 HD12 LEU 40 -0.919 10.303 4.694 312 HD13 LEU 40 HD13 LEU 40 -1.069 10.774 2.993 313 HD21 LEU 40 HD21 LEU 40 -3.261 7.358 4.129 314 HD22 LEU 40 HD22 LEU 40 -2.293 8.127 5.388 315 HD23 LEU 40 HD23 LEU 40 -1.501 7.308 4.040 316 H GLN 41 HN GLN 41 -5.009 13.253 3.954 317 HA GLN 41 HA GLN 41 -7.649 12.186 4.253 318 HB2 GLN 41 HB2 GLN 41 -6.615 15.018 4.526 319 HB3 GLN 41 HB1 GLN 41 -8.220 14.479 5.013 320 HG2 GLN 41 HG2 GLN 41 -7.258 13.006 6.674 321 HG3 GLN 41 HG1 GLN 41 -5.634 13.428 6.146 322 HE21 GLN 41 HE21 GLN 41 -8.456 14.495 7.851 323 HE22 GLN 41 HE22 GLN 41 -7.728 15.830 8.642 324 H LYS 42 HN LYS 42 -5.906 13.349 1.677 325 HA LYS 42 HA LYS 42 -8.090 14.492 0.168 326 HB2 LYS 42 HB2 LYS 42 -5.878 15.399 -0.152 327 HB3 LYS 42 HB1 LYS 42 -5.223 13.809 -0.482 328 HG2 LYS 42 HG2 LYS 42 -6.673 13.723 -2.519 329 HG3 LYS 42 HG1 LYS 42 -7.080 15.413 -2.218 330 HD2 LYS 42 HD2 LYS 42 -4.795 16.075 -2.482 331 HD3 LYS 42 HD1 LYS 42 -4.265 14.391 -2.542 332 HE2 LYS 42 HE2 LYS 42 -5.570 14.072 -4.594 333 HE3 LYS 42 HE1 LYS 42 -6.044 15.771 -4.537 334 HZ1 LYS 42 HZ1 LYS 42 -3.252 14.801 -4.766 335 HZ2 LYS 42 HZ2 LYS 42 -3.754 16.408 -4.884 336 HZ3 LYS 42 HZ3 LYS 42 -4.196 15.295 -6.058 337 H THR 43 HN THR 43 -6.599 11.409 0.707 338 HA THR 43 HA THR 43 -6.729 10.082 -1.653 339 HB THR 43 HB THR 43 -7.321 8.874 1.056 340 HG1 THR 43 HG1 THR 43 -5.461 9.507 1.530 341 HG21 THR 43 HG21 THR 43 -6.216 6.887 0.117 342 HG22 THR 43 HG22 THR 43 -6.001 7.730 -1.419 343 HG23 THR 43 HG23 THR 43 -7.622 7.334 -0.851 344 HA PRO 44 HA PRO 44 -11.186 9.987 -2.344 345 HB2 PRO 44 HB2 PRO 44 -11.057 8.918 -4.831 346 HB3 PRO 44 HB1 PRO 44 -10.716 10.621 -4.511 347 HG2 PRO 44 HG2 PRO 44 -8.796 8.346 -4.873 348 HG3 PRO 44 HG1 PRO 44 -8.693 9.975 -5.555 349 HD2 PRO 44 HD2 PRO 44 -7.272 9.243 -3.421 350 HD3 PRO 44 HD1 PRO 44 -7.914 10.881 -3.597 351 H TRP 45 HN TRP 45 -12.033 8.424 -1.001 352 HA TRP 45 HA TRP 45 -11.282 5.715 -1.054 353 HB2 TRP 45 HB2 TRP 45 -12.367 6.647 0.933 354 HB3 TRP 45 HB1 TRP 45 -13.837 6.946 0.014 355 HD1 TRP 45 HD1 TRP 45 -15.348 4.795 -0.639 356 HE1 TRP 45 HE1 TRP 45 -15.544 2.504 0.406 357 HE3 TRP 45 HE3 TRP 45 -11.028 4.782 2.090 358 HZ2 TRP 45 HZ2 TRP 45 -14.075 0.842 2.166 359 HZ3 TRP 45 HZ3 TRP 45 -10.500 2.784 3.413 360 HH2 TRP 45 HH2 TRP 45 -11.988 0.859 3.452 361 H SER 46 HN SER 46 -13.673 7.496 -2.869 362 HA SER 46 HA SER 46 -15.208 5.406 -3.823 363 HB2 SER 46 HB2 SER 46 -14.395 7.842 -5.380 364 HB3 SER 46 HB1 SER 46 -15.915 6.917 -5.459 365 HG SER 46 HG SER 46 -16.443 7.604 -3.465 366 H GLU 47 HN GLU 47 -11.997 6.473 -4.780 367 HA GLU 47 HA GLU 47 -11.897 4.702 -7.037 368 HB2 GLU 47 HB2 GLU 47 -9.735 6.268 -5.623 369 HB3 GLU 47 HB1 GLU 47 -9.438 5.264 -7.030 370 HG2 GLU 47 HG2 GLU 47 -11.136 7.729 -6.862 371 HG3 GLU 47 HG1 GLU 47 -9.620 7.531 -7.736 372 H VAL 48 HN VAL 48 -10.678 4.815 -3.752 373 HA VAL 48 HA VAL 48 -9.176 2.519 -3.635 374 HB VAL 48 HB VAL 48 -10.936 3.672 -1.441 375 HG11 VAL 48 HG11 VAL 48 -9.455 2.575 0.158 376 HG12 VAL 48 HG12 VAL 48 -8.643 1.748 -1.177 377 HG13 VAL 48 HG13 VAL 48 -10.348 1.435 -0.845 378 HG21 VAL 48 HG21 VAL 48 -8.019 4.113 -2.031 379 HG22 VAL 48 HG22 VAL 48 -8.910 4.784 -0.661 380 HG23 VAL 48 HG23 VAL 48 -9.322 5.270 -2.305 381 H GLU 49 HN GLU 49 -12.658 2.932 -3.188 382 HA GLU 49 HA GLU 49 -13.537 0.456 -2.424 383 HB2 GLU 49 HB2 GLU 49 -14.603 2.802 -3.751 384 HB3 GLU 49 HB1 GLU 49 -15.440 1.326 -4.204 385 HG2 GLU 49 HG2 GLU 49 -15.796 0.928 -1.774 386 HG3 GLU 49 HG1 GLU 49 -15.042 2.485 -1.471 387 H GLU 50 HN GLU 50 -13.188 1.691 -5.705 388 HA GLU 50 HA GLU 50 -14.081 -0.728 -6.773 389 HB2 GLU 50 HB2 GLU 50 -12.992 1.720 -8.080 390 HB3 GLU 50 HB1 GLU 50 -13.624 0.332 -8.967 391 HG2 GLU 50 HG2 GLU 50 -15.047 1.783 -6.861 392 HG3 GLU 50 HG1 GLU 50 -15.320 2.130 -8.603 393 H ALA 51 HN ALA 51 -11.053 0.776 -6.187 394 HA ALA 51 HA ALA 51 -9.439 -0.611 -8.034 395 HB1 ALA 51 HB1 ALA 51 -8.831 1.532 -7.136 396 HB2 ALA 51 HB2 ALA 51 -7.593 0.315 -6.807 397 HB3 ALA 51 HB3 ALA 51 -8.695 0.823 -5.528 398 H ASP 52 HN ASP 52 -8.094 -2.220 -7.819 399 HA ASP 52 HA ASP 52 -7.965 -3.595 -5.298 400 HB2 ASP 52 HB2 ASP 52 -8.318 -5.727 -6.280 401 HB3 ASP 52 HB1 ASP 52 -9.652 -4.713 -6.805 402 H GLY 53 HN GLY 53 -6.024 -4.685 -5.050 403 HA2 GLY 53 HA2 GLY 53 -3.769 -4.999 -5.210 404 HA3 GLY 53 HA1 GLY 53 -4.189 -5.452 -6.848 405 H LYS 54 HN LYS 54 -3.496 -4.307 -8.478 406 HA LYS 54 HA LYS 54 -1.312 -2.559 -8.246 407 HB2 LYS 54 HB2 LYS 54 -1.979 -3.996 -10.253 408 HB3 LYS 54 HB1 LYS 54 -3.128 -2.730 -10.646 409 HG2 LYS 54 HG2 LYS 54 -0.517 -1.583 -10.236 410 HG3 LYS 54 HG1 LYS 54 -0.423 -2.911 -11.366 411 HD2 LYS 54 HD2 LYS 54 -0.752 -1.017 -12.715 412 HD3 LYS 54 HD1 LYS 54 -2.345 -1.759 -12.614 413 HE2 LYS 54 HE2 LYS 54 -2.992 -0.185 -10.904 414 HE3 LYS 54 HE1 LYS 54 -1.357 0.480 -10.898 415 HZ1 LYS 54 HZ1 LYS 54 -2.918 1.888 -12.171 416 HZ2 LYS 54 HZ2 LYS 54 -3.225 0.608 -13.232 417 HZ3 LYS 54 HZ3 LYS 54 -1.687 1.289 -13.130 418 H LYS 55 HN LYS 55 -4.720 -1.990 -8.847 419 HA LYS 55 HA LYS 55 -4.358 0.660 -9.482 420 HB2 LYS 55 HB2 LYS 55 -6.720 -0.947 -8.749 421 HB3 LYS 55 HB1 LYS 55 -6.890 0.799 -8.757 422 HG2 LYS 55 HG2 LYS 55 -5.925 -0.891 -11.025 423 HG3 LYS 55 HG1 LYS 55 -7.586 -0.298 -10.869 424 HD2 LYS 55 HD2 LYS 55 -5.082 1.407 -11.182 425 HD3 LYS 55 HD1 LYS 55 -6.270 1.075 -12.434 426 HE2 LYS 55 HE2 LYS 55 -6.885 2.502 -9.844 427 HE3 LYS 55 HE1 LYS 55 -6.517 3.290 -11.371 428 HZ1 LYS 55 HZ1 LYS 55 -8.830 1.446 -10.959 429 HZ2 LYS 55 HZ2 LYS 55 -8.485 2.360 -12.342 430 HZ3 LYS 55 HZ3 LYS 55 -8.884 3.118 -10.913 431 H LEU 56 HN LEU 56 -4.915 -0.973 -6.483 432 HA LEU 56 HA LEU 56 -5.518 1.364 -5.062 433 HB2 LEU 56 HB2 LEU 56 -6.111 -0.945 -4.285 434 HB3 LEU 56 HB1 LEU 56 -4.429 -1.179 -3.885 435 HG LEU 56 HG LEU 56 -4.487 0.523 -2.173 436 HD11 LEU 56 HD11 LEU 56 -7.339 1.017 -3.037 437 HD12 LEU 56 HD12 LEU 56 -5.983 2.133 -3.235 438 HD13 LEU 56 HD13 LEU 56 -6.554 1.720 -1.624 439 HD21 LEU 56 HD21 LEU 56 -6.151 -0.411 -0.662 440 HD22 LEU 56 HD22 LEU 56 -5.259 -1.667 -1.523 441 HD23 LEU 56 HD23 LEU 56 -6.907 -1.245 -2.019 442 H ALA 57 HN ALA 57 -2.524 -0.312 -5.774 443 HA ALA 57 HA ALA 57 -0.735 1.179 -4.169 444 HB1 ALA 57 HB1 ALA 57 -0.053 -0.843 -5.424 445 HB2 ALA 57 HB2 ALA 57 0.989 0.530 -5.787 446 HB3 ALA 57 HB3 ALA 57 -0.256 0.044 -6.932 447 H GLU 58 HN GLU 58 -2.242 1.827 -7.227 448 HA GLU 58 HA GLU 58 -0.768 4.116 -7.987 449 HB2 GLU 58 HB2 GLU 58 -2.164 2.704 -9.497 450 HB3 GLU 58 HB1 GLU 58 -3.598 3.333 -8.709 451 HG2 GLU 58 HG2 GLU 58 -2.938 5.599 -9.464 452 HG3 GLU 58 HG1 GLU 58 -1.612 4.860 -10.365 453 H ILE 59 HN ILE 59 -3.537 3.571 -5.953 454 HA ILE 59 HA ILE 59 -4.196 6.350 -5.683 455 HB ILE 59 HB ILE 59 -5.221 3.876 -4.252 456 HG12 ILE 59 HG12 ILE 59 -6.683 5.528 -6.254 457 HG13 ILE 59 HG11 ILE 59 -5.545 4.288 -6.807 458 HG21 ILE 59 HG21 ILE 59 -6.301 6.711 -4.268 459 HG22 ILE 59 HG22 ILE 59 -5.576 5.901 -2.876 460 HG23 ILE 59 HG23 ILE 59 -7.102 5.317 -3.544 461 HD11 ILE 59 HD11 ILE 59 -6.870 2.667 -5.573 462 HD12 ILE 59 HD12 ILE 59 -7.759 3.479 -6.834 463 HD13 ILE 59 HD13 ILE 59 -8.019 3.940 -5.135 464 H LEU 60 HN LEU 60 -2.396 3.931 -3.880 465 HA LEU 60 HA LEU 60 -1.928 5.538 -1.602 466 HB2 LEU 60 HB2 LEU 60 -0.549 3.145 -2.738 467 HB3 LEU 60 HB1 LEU 60 0.326 4.097 -1.563 468 HG LEU 60 HG LEU 60 -0.674 2.195 -0.490 469 HD11 LEU 60 HD11 LEU 60 -2.128 4.702 0.295 470 HD12 LEU 60 HD12 LEU 60 -0.524 4.197 0.829 471 HD13 LEU 60 HD13 LEU 60 -1.941 3.251 1.280 472 HD21 LEU 60 HD21 LEU 60 -3.098 1.877 -0.337 473 HD22 LEU 60 HD22 LEU 60 -2.519 1.742 -1.994 474 HD23 LEU 60 HD23 LEU 60 -3.340 3.215 -1.464 475 H VAL 61 HN VAL 61 -0.172 5.205 -4.657 476 HA VAL 61 HA VAL 61 1.888 7.051 -3.878 477 HB VAL 61 HB VAL 61 2.131 5.147 -5.555 478 HG11 VAL 61 HG11 VAL 61 1.581 5.521 -7.887 479 HG12 VAL 61 HG12 VAL 61 0.766 7.021 -7.438 480 HG13 VAL 61 HG13 VAL 61 0.155 5.482 -6.843 481 HG21 VAL 61 HG21 VAL 61 3.681 6.265 -7.032 482 HG22 VAL 61 HG22 VAL 61 3.900 6.801 -5.358 483 HG23 VAL 61 HG23 VAL 61 3.071 7.843 -6.525 484 H ASN 62 HN ASN 62 -1.249 7.465 -4.694 485 HA ASN 62 HA ASN 62 -1.202 9.832 -6.297 486 HB2 ASN 62 HB2 ASN 62 -3.166 8.333 -6.208 487 HB3 ASN 62 HB1 ASN 62 -3.397 8.708 -4.514 488 HD21 ASN 62 HD21 ASN 62 -3.877 9.730 -7.743 489 HD22 ASN 62 HD22 ASN 62 -4.849 11.104 -7.345 490 H THR 63 HN THR 63 -1.483 9.124 -2.850 491 HA THR 63 HA THR 63 -1.332 11.998 -2.303 492 HB THR 63 HB THR 63 -2.333 11.306 -0.047 493 HG1 THR 63 HG1 THR 63 -3.641 9.280 -0.424 494 HG21 THR 63 HG21 THR 63 -4.618 11.249 -0.962 495 HG22 THR 63 HG22 THR 63 -3.968 10.886 -2.563 496 HG23 THR 63 HG23 THR 63 -3.632 12.442 -1.806 497 H SER 64 HN SER 64 -0.276 8.847 -1.106 498 HA SER 64 HA SER 64 1.268 10.043 0.952 499 HB2 SER 64 HB2 SER 64 1.116 7.204 0.008 500 HB3 SER 64 HB1 SER 64 1.754 7.755 1.569 501 HG SER 64 HG SER 64 -0.836 8.476 0.801 502 H SER 65 HN SER 65 3.449 10.221 1.070 503 HA SER 65 HA SER 65 5.052 10.247 -1.303 504 HB2 SER 65 HB2 SER 65 5.865 10.460 1.596 505 HB3 SER 65 HB1 SER 65 6.745 11.070 0.187 506 HG SER 65 HG SER 65 5.460 12.621 1.435 507 H GLU 66 HN GLU 66 6.789 8.957 -1.768 508 HA GLU 66 HA GLU 66 6.380 6.225 -1.642 509 HB2 GLU 66 HB2 GLU 66 8.532 5.997 -2.731 510 HB3 GLU 66 HB1 GLU 66 7.708 7.406 -3.365 511 HG2 GLU 66 HG2 GLU 66 10.022 7.322 -1.459 512 HG3 GLU 66 HG1 GLU 66 10.036 7.897 -3.128 513 H ASN 67 HN ASN 67 8.515 8.149 0.372 514 HA ASN 67 HA ASN 67 9.648 5.908 1.747 515 HB2 ASN 67 HB2 ASN 67 10.840 8.038 1.689 516 HB3 ASN 67 HB1 ASN 67 9.517 8.824 2.533 517 HD21 ASN 67 HD21 ASN 67 10.827 9.494 4.189 518 HD22 ASN 67 HD22 ASN 67 11.464 8.413 5.365 519 H TRP 68 HN TRP 68 6.841 7.818 2.177 520 HA TRP 68 HA TRP 68 6.314 6.997 4.853 521 HB2 TRP 68 HB2 TRP 68 5.488 9.128 3.725 522 HB3 TRP 68 HB1 TRP 68 4.367 8.117 2.826 523 HD1 TRP 68 HD1 TRP 68 4.930 9.703 6.201 524 HE1 TRP 68 HE1 TRP 68 2.816 9.308 7.676 525 HE3 TRP 68 HE3 TRP 68 2.401 6.409 3.237 526 HZ2 TRP 68 HZ2 TRP 68 0.497 7.847 7.600 527 HZ3 TRP 68 HZ3 TRP 68 0.241 5.564 4.022 528 HH2 TRP 68 HH2 TRP 68 -0.684 6.274 6.163 529 H ILE 69 HN ILE 69 5.129 6.133 1.620 530 HA ILE 69 HA ILE 69 3.197 4.245 2.399 531 HB ILE 69 HB ILE 69 4.741 4.032 -0.194 532 HG12 ILE 69 HG12 ILE 69 2.253 5.630 0.337 533 HG13 ILE 69 HG11 ILE 69 3.853 6.353 0.208 534 HG21 ILE 69 HG21 ILE 69 3.264 2.170 0.391 535 HG22 ILE 69 HG22 ILE 69 2.568 3.073 -0.963 536 HG23 ILE 69 HG23 ILE 69 1.939 3.289 0.676 537 HD11 ILE 69 HD11 ILE 69 2.416 4.829 -1.958 538 HD12 ILE 69 HD12 ILE 69 4.029 5.534 -2.087 539 HD13 ILE 69 HD13 ILE 69 2.623 6.579 -1.865 540 H ARG 70 HN ARG 70 6.621 3.843 1.595 541 HA ARG 70 HA ARG 70 6.635 1.063 1.470 542 HB2 ARG 70 HB2 ARG 70 9.053 1.138 1.677 543 HB3 ARG 70 HB1 ARG 70 8.502 2.442 0.641 544 HG2 ARG 70 HG2 ARG 70 8.781 4.010 2.522 545 HG3 ARG 70 HG1 ARG 70 9.406 2.685 3.505 546 HD2 ARG 70 HD2 ARG 70 11.211 2.343 1.834 547 HD3 ARG 70 HD1 ARG 70 10.572 3.720 0.932 548 HE ARG 70 HE ARG 70 11.069 4.705 3.415 549 HH11 ARG 70 HH11 ARG 70 13.032 3.071 0.942 550 HH12 ARG 70 HH12 ARG 70 14.449 3.895 1.343 551 HH21 ARG 70 HH21 ARG 70 13.053 5.823 3.948 552 HH22 ARG 70 HH22 ARG 70 14.477 5.467 3.083 553 H ASN 71 HN ASN 71 6.562 3.099 4.223 554 HA ASN 71 HA ASN 71 7.181 0.923 6.083 555 HB2 ASN 71 HB2 ASN 71 7.954 3.217 6.600 556 HB3 ASN 71 HB1 ASN 71 6.287 3.778 6.583 557 HD21 ASN 71 HD21 ASN 71 6.155 4.431 8.666 558 HD22 ASN 71 HD22 ASN 71 6.278 3.383 10.021 559 H ALA 72 HN ALA 72 4.536 2.998 5.085 560 HA ALA 72 HA ALA 72 2.554 2.258 6.860 561 HB1 ALA 72 HB1 ALA 72 1.012 3.226 5.335 562 HB2 ALA 72 HB2 ALA 72 2.187 3.101 4.028 563 HB3 ALA 72 HB3 ALA 72 2.491 4.192 5.384 564 H THR 73 HN THR 73 3.196 0.938 3.629 565 HA THR 73 HA THR 73 0.935 -0.716 3.650 566 HB THR 73 HB THR 73 2.088 -0.088 1.552 567 HG1 THR 73 HG1 THR 73 1.527 -2.759 2.197 568 HG21 THR 73 HG21 THR 73 4.431 -0.314 2.263 569 HG22 THR 73 HG22 THR 73 4.126 -1.300 0.833 570 HG23 THR 73 HG23 THR 73 4.224 -2.057 2.422 571 H VAL 74 HN VAL 74 4.136 -1.144 4.921 572 HA VAL 74 HA VAL 74 4.060 -3.940 5.252 573 HB VAL 74 HB VAL 74 5.647 -1.814 6.727 574 HG11 VAL 74 HG11 VAL 74 6.006 -4.810 6.749 575 HG12 VAL 74 HG12 VAL 74 5.469 -3.820 8.107 576 HG13 VAL 74 HG13 VAL 74 7.105 -3.640 7.477 577 HG21 VAL 74 HG21 VAL 74 6.158 -1.969 4.352 578 HG22 VAL 74 HG22 VAL 74 6.420 -3.709 4.515 579 HG23 VAL 74 HG23 VAL 74 7.499 -2.577 5.325 580 H ASN 75 HN ASN 75 3.273 -1.245 7.373 581 HA ASN 75 HA ASN 75 2.602 -2.761 9.667 582 HB2 ASN 75 HB2 ASN 75 3.008 -0.286 9.614 583 HB3 ASN 75 HB1 ASN 75 1.439 -0.091 8.865 584 HD21 ASN 75 HD21 ASN 75 -0.413 -0.284 10.083 585 HD22 ASN 75 HD22 ASN 75 -0.406 -0.433 11.795 586 H ILE 76 HN ILE 76 0.668 -1.761 6.933 587 HA ILE 76 HA ILE 76 -1.826 -2.751 7.963 588 HB ILE 76 HB ILE 76 -1.103 -2.593 5.009 589 HG12 ILE 76 HG12 ILE 76 -0.746 -0.395 6.251 590 HG13 ILE 76 HG11 ILE 76 -1.902 -0.338 4.929 591 HG21 ILE 76 HG21 ILE 76 -3.529 -2.346 4.704 592 HG22 ILE 76 HG22 ILE 76 -3.758 -2.480 6.447 593 HG23 ILE 76 HG23 ILE 76 -3.138 -3.853 5.537 594 HD11 ILE 76 HD11 ILE 76 -2.650 -0.556 7.849 595 HD12 ILE 76 HD12 ILE 76 -3.741 -0.277 6.465 596 HD13 ILE 76 HD13 ILE 76 -2.571 0.941 6.919 597 H LEU 77 HN LEU 77 0.721 -4.233 5.961 598 HA LEU 77 HA LEU 77 -0.487 -6.759 5.652 599 HB2 LEU 77 HB2 LEU 77 2.359 -5.819 5.580 600 HB3 LEU 77 HB1 LEU 77 1.999 -7.530 5.532 601 HG LEU 77 HG LEU 77 0.441 -6.126 3.547 602 HD11 LEU 77 HD11 LEU 77 2.391 -4.572 3.552 603 HD12 LEU 77 HD12 LEU 77 2.348 -5.538 2.078 604 HD13 LEU 77 HD13 LEU 77 3.473 -5.953 3.372 605 HD21 LEU 77 HD21 LEU 77 2.587 -8.206 3.379 606 HD22 LEU 77 HD22 LEU 77 1.431 -7.795 2.110 607 HD23 LEU 77 HD23 LEU 77 0.871 -8.513 3.625 608 H GLU 78 HN GLU 78 1.656 -5.503 8.139 609 HA GLU 78 HA GLU 78 1.905 -7.723 9.794 610 HB2 GLU 78 HB2 GLU 78 1.637 -4.808 10.563 611 HB3 GLU 78 HB1 GLU 78 2.236 -6.044 11.644 612 HG2 GLU 78 HG2 GLU 78 3.520 -5.224 9.048 613 HG3 GLU 78 HG1 GLU 78 4.012 -4.677 10.645 614 H GLU 79 HN GLU 79 -0.584 -5.237 9.722 615 HA GLU 79 HA GLU 79 -2.201 -6.207 11.789 616 HB2 GLU 79 HB2 GLU 79 -2.703 -4.442 9.465 617 HB3 GLU 79 HB1 GLU 79 -4.016 -4.814 10.563 618 HG2 GLU 79 HG2 GLU 79 -1.413 -3.444 11.218 619 HG3 GLU 79 HG1 GLU 79 -3.010 -2.698 11.138 620 H MET 80 HN MET 80 -1.879 -7.299 8.535 621 HA MET 80 HA MET 80 -4.380 -8.795 8.716 622 HB2 MET 80 HB2 MET 80 -2.526 -8.287 6.388 623 HB3 MET 80 HB1 MET 80 -3.890 -9.390 6.294 624 HG2 MET 80 HG2 MET 80 -5.411 -7.541 6.835 625 HG3 MET 80 HG1 MET 80 -4.040 -6.444 6.905 626 HE1 MET 80 HE1 MET 80 -2.258 -7.382 4.475 627 HE2 MET 80 HE2 MET 80 -2.628 -5.691 4.783 628 HE3 MET 80 HE3 MET 80 -2.861 -6.370 3.170 629 H ASN 81 HN ASN 81 -1.511 -9.214 9.900 630 HA ASN 81 HA ASN 81 -0.281 -10.926 10.675 631 HB2 ASN 81 HB2 ASN 81 -2.518 -11.773 11.465 632 HB3 ASN 81 HB1 ASN 81 -2.718 -12.590 9.936 633 HD21 ASN 81 HD21 ASN 81 -2.132 -14.572 9.850 634 HD22 ASN 81 HD22 ASN 81 -1.185 -15.475 10.976 635 H LEU 82 HN LEU 82 -0.087 -10.122 7.949 636 HA LEU 82 HA LEU 82 0.579 -12.533 6.511 637 HB2 LEU 82 HB2 LEU 82 0.635 -9.626 5.756 638 HB3 LEU 82 HB1 LEU 82 1.148 -10.912 4.678 639 HG LEU 82 HG LEU 82 -1.644 -10.595 5.794 640 HD11 LEU 82 HD11 LEU 82 -2.274 -9.960 3.544 641 HD12 LEU 82 HD12 LEU 82 -0.600 -10.103 3.009 642 HD13 LEU 82 HD13 LEU 82 -1.050 -8.854 4.168 643 HD21 LEU 82 HD21 LEU 82 -2.185 -12.289 4.103 644 HD22 LEU 82 HD22 LEU 82 -1.129 -12.886 5.388 645 HD23 LEU 82 HD23 LEU 82 -0.453 -12.491 3.805 646 H THR 83 HN THR 83 2.531 -13.377 6.633 647 HA THR 83 HA THR 83 4.696 -11.704 7.608 648 HB THR 83 HB THR 83 5.853 -14.032 7.654 649 HG1 THR 83 HG1 THR 83 3.999 -15.609 8.138 650 HG21 THR 83 HG21 THR 83 5.290 -12.791 9.662 651 HG22 THR 83 HG22 THR 83 4.919 -14.498 9.891 652 HG23 THR 83 HG23 THR 83 3.613 -13.342 9.577 653 H GLU 84 HN GLU 84 4.505 -14.400 5.393 654 HA GLU 84 HA GLU 84 6.785 -14.253 4.026 655 HB2 GLU 84 HB2 GLU 84 5.543 -15.152 2.026 656 HB3 GLU 84 HB1 GLU 84 5.343 -16.019 3.543 657 HG2 GLU 84 HG2 GLU 84 3.157 -14.797 3.836 658 HG3 GLU 84 HG1 GLU 84 3.375 -14.139 2.232 659 H LEU 85 HN LEU 85 3.991 -12.568 2.626 660 HA LEU 85 HA LEU 85 5.727 -11.229 0.809 661 HB2 LEU 85 HB2 LEU 85 3.780 -10.076 -0.106 662 HB3 LEU 85 HB1 LEU 85 3.533 -11.796 -0.015 663 HG LEU 85 HG LEU 85 2.334 -9.819 1.936 664 HD11 LEU 85 HD11 LEU 85 0.261 -10.116 0.680 665 HD12 LEU 85 HD12 LEU 85 1.119 -11.106 -0.500 666 HD13 LEU 85 HD13 LEU 85 1.525 -9.400 -0.321 667 HD21 LEU 85 HD21 LEU 85 1.747 -12.733 1.374 668 HD22 LEU 85 HD22 LEU 85 0.753 -11.676 2.361 669 HD23 LEU 85 HD23 LEU 85 2.393 -12.051 2.876 670 H CYS 86 HN CYS 86 4.493 -10.438 3.888 671 HA CYS 86 HA CYS 86 4.899 -7.623 3.734 672 HB2 CYS 86 HB2 CYS 86 3.534 -8.846 5.473 673 HB3 CYS 86 HB1 CYS 86 5.059 -9.483 6.022 674 HG CYS 86 HG CYS 86 4.449 -7.580 7.897 675 H LYS 87 HN LYS 87 6.790 -10.411 4.697 676 HA LYS 87 HA LYS 87 9.153 -9.129 5.529 677 HB2 LYS 87 HB2 LYS 87 8.728 -11.856 4.304 678 HB3 LYS 87 HB1 LYS 87 10.194 -11.340 5.123 679 HG2 LYS 87 HG2 LYS 87 9.071 -11.181 7.215 680 HG3 LYS 87 HG1 LYS 87 7.497 -11.381 6.450 681 HD2 LYS 87 HD2 LYS 87 8.162 -13.438 7.541 682 HD3 LYS 87 HD1 LYS 87 8.128 -13.669 5.794 683 HE2 LYS 87 HE2 LYS 87 10.530 -13.350 5.718 684 HE3 LYS 87 HE1 LYS 87 10.544 -13.140 7.479 685 HZ1 LYS 87 HZ1 LYS 87 9.786 -15.584 5.983 686 HZ2 LYS 87 HZ2 LYS 87 9.621 -15.418 7.642 687 HZ3 LYS 87 HZ3 LYS 87 11.157 -15.390 6.939 688 H MET 88 HN MET 88 7.880 -10.070 2.417 689 HA MET 88 HA MET 88 10.188 -9.640 0.864 690 HB2 MET 88 HB2 MET 88 8.122 -10.879 0.155 691 HB3 MET 88 HB1 MET 88 7.280 -9.351 0.115 692 HG2 MET 88 HG2 MET 88 7.880 -9.901 -2.103 693 HG3 MET 88 HG1 MET 88 8.862 -8.535 -1.568 694 HE1 MET 88 HE1 MET 88 10.385 -12.872 -2.035 695 HE2 MET 88 HE2 MET 88 8.752 -12.335 -2.425 696 HE3 MET 88 HE3 MET 88 9.283 -12.395 -0.746 697 H ALA 89 HN ALA 89 7.467 -7.679 1.879 698 HA ALA 89 HA ALA 89 8.228 -5.307 0.534 699 HB1 ALA 89 HB1 ALA 89 6.636 -4.156 1.977 700 HB2 ALA 89 HB2 ALA 89 6.603 -5.546 3.064 701 HB3 ALA 89 HB3 ALA 89 5.959 -5.696 1.432 702 H LYS 90 HN LYS 90 8.956 -6.601 3.693 703 HA LYS 90 HA LYS 90 10.457 -4.379 4.673 704 HB2 LYS 90 HB2 LYS 90 10.479 -7.289 5.498 705 HB3 LYS 90 HB1 LYS 90 11.283 -5.999 6.377 706 HG2 LYS 90 HG2 LYS 90 9.162 -4.953 6.860 707 HG3 LYS 90 HG1 LYS 90 8.318 -6.149 5.880 708 HD2 LYS 90 HD2 LYS 90 9.041 -7.923 7.405 709 HD3 LYS 90 HD1 LYS 90 9.916 -6.735 8.373 710 HE2 LYS 90 HE2 LYS 90 7.814 -5.582 8.857 711 HE3 LYS 90 HE1 LYS 90 6.945 -6.746 7.866 712 HZ1 LYS 90 HZ1 LYS 90 6.770 -7.214 10.222 713 HZ2 LYS 90 HZ2 LYS 90 8.455 -7.428 10.335 714 HZ3 LYS 90 HZ3 LYS 90 7.513 -8.471 9.389 715 H ALA 91 HN ALA 91 11.072 -6.458 2.237 716 HA ALA 91 HA ALA 91 13.960 -6.111 2.490 717 HB1 ALA 91 HB1 ALA 91 12.484 -8.165 0.845 718 HB2 ALA 91 HB2 ALA 91 13.215 -8.474 2.411 719 HB3 ALA 91 HB3 ALA 91 14.234 -8.042 1.035 720 H GLU 92 HN GLU 92 11.339 -6.040 0.240 721 HA GLU 92 HA GLU 92 12.951 -4.809 -1.810 722 HB2 GLU 92 HB2 GLU 92 10.155 -5.607 -1.601 723 HB3 GLU 92 HB1 GLU 92 10.766 -4.938 -3.120 724 HG2 GLU 92 HG2 GLU 92 12.493 -6.986 -2.631 725 HG3 GLU 92 HG1 GLU 92 11.068 -7.572 -1.801 726 H MET 93 HN MET 93 10.197 -3.775 0.229 727 HA MET 93 HA MET 93 10.192 -1.289 -1.204 728 HB2 MET 93 HB2 MET 93 8.213 -2.511 0.628 729 HB3 MET 93 HB1 MET 93 8.324 -0.749 0.683 730 HG2 MET 93 HG2 MET 93 8.061 -2.267 -1.846 731 HG3 MET 93 HG1 MET 93 6.651 -1.932 -0.881 732 HE1 MET 93 HE1 MET 93 9.543 -0.424 -3.163 733 HE2 MET 93 HE2 MET 93 9.864 0.498 -1.676 734 HE3 MET 93 HE3 MET 93 9.212 1.303 -3.073 735 H MET 94 HN MET 94 10.648 -2.215 2.099 736 HA MET 94 HA MET 94 12.353 0.137 2.310 737 HB2 MET 94 HB2 MET 94 11.745 0.270 4.715 738 HB3 MET 94 HB1 MET 94 10.372 0.580 3.665 739 HG2 MET 94 HG2 MET 94 9.556 -1.660 4.052 740 HG3 MET 94 HG1 MET 94 10.942 -2.017 5.079 741 HE1 MET 94 HE1 MET 94 10.322 0.537 8.060 742 HE2 MET 94 HE2 MET 94 11.216 0.888 6.589 743 HE3 MET 94 HE3 MET 94 11.420 -0.669 7.399 744 H GLU 95 HN GLU 95 14.372 -0.405 2.791 745 HA GLU 95 HA GLU 95 14.855 -3.216 3.101 746 HB2 GLU 95 HB2 GLU 95 16.827 -0.928 2.838 747 HB3 GLU 95 HB1 GLU 95 17.231 -2.643 2.759 748 HG2 GLU 95 HG2 GLU 95 15.812 -2.906 0.803 749 HG3 GLU 95 HG1 GLU 95 15.371 -1.209 0.884 750 H ASP 96 HN ASP 96 14.086 -3.664 4.997 751 HA ASP 96 HA ASP 96 15.459 -2.576 7.384 752 HB2 ASP 96 HB2 ASP 96 13.228 -1.686 7.262 753 HB3 ASP 96 HB1 ASP 96 12.554 -3.291 7.022 754 H GLY 97 HN GLY 97 13.402 -5.227 6.296 755 HA2 GLY 97 HA2 GLY 97 14.421 -6.983 8.361 756 HA3 GLY 97 HA1 GLY 97 13.147 -7.344 7.203 757 H GLN 98 HN GLN 98 16.469 -6.349 6.923 758 HA GLN 98 HA GLN 98 17.025 -8.295 4.836 759 HB2 GLN 98 HB2 GLN 98 18.900 -6.438 6.341 760 HB3 GLN 98 HB1 GLN 98 19.288 -7.318 4.868 761 HG2 GLN 98 HG2 GLN 98 17.175 -5.178 5.094 762 HG3 GLN 98 HG1 GLN 98 18.806 -4.933 4.473 763 HE21 GLN 98 HE21 GLN 98 15.695 -6.412 3.843 764 HE22 GLN 98 HE22 GLN 98 16.004 -6.698 2.165 Start of MODEL 18 1 H MET 3 HT1 MET 3 12.390 7.690 -6.288 2 HA MET 3 HA MET 3 14.982 6.457 -5.816 3 HB2 MET 3 HB2 MET 3 12.195 5.296 -5.495 4 HB3 MET 3 HB1 MET 3 13.690 4.386 -5.347 5 HG2 MET 3 HG2 MET 3 12.804 6.664 -3.639 6 HG3 MET 3 HG1 MET 3 12.774 4.950 -3.189 7 HE1 MET 3 HE1 MET 3 14.099 5.422 -0.951 8 HE2 MET 3 HE2 MET 3 14.051 7.142 -1.323 9 HE3 MET 3 HE3 MET 3 15.578 6.379 -0.879 10 H THR 4 HN THR 4 12.015 5.166 -7.285 11 HA THR 4 HA THR 4 12.746 5.705 -9.950 12 HB THR 4 HB THR 4 12.333 3.150 -10.339 13 HG1 THR 4 HG1 THR 4 13.752 2.801 -7.946 14 HG21 THR 4 HG21 THR 4 14.762 2.650 -10.322 15 HG22 THR 4 HG22 THR 4 15.039 4.108 -9.365 16 HG23 THR 4 HG23 THR 4 14.427 4.241 -11.009 17 H SER 5 HN SER 5 10.764 5.708 -11.094 18 HA SER 5 HA SER 5 8.552 5.676 -9.350 19 HB2 SER 5 HB2 SER 5 7.294 6.418 -11.482 20 HB3 SER 5 HB1 SER 5 8.500 7.493 -10.789 21 HG SER 5 HG SER 5 8.392 6.603 -13.211 22 HA PRO 6 HA PRO 6 6.926 1.986 -12.173 23 HB2 PRO 6 HB2 PRO 6 9.552 0.740 -12.796 24 HB3 PRO 6 HB1 PRO 6 8.114 0.839 -13.812 25 HG2 PRO 6 HG2 PRO 6 10.183 2.374 -14.344 26 HG3 PRO 6 HG1 PRO 6 8.548 3.065 -14.392 27 HD2 PRO 6 HD2 PRO 6 10.615 3.277 -12.231 28 HD3 PRO 6 HD1 PRO 6 9.593 4.548 -12.938 29 H GLN 7 HN GLN 7 10.082 1.309 -10.701 30 HA GLN 7 HA GLN 7 9.433 -1.148 -9.595 31 HB2 GLN 7 HB2 GLN 7 11.542 0.820 -8.720 32 HB3 GLN 7 HB1 GLN 7 11.435 -0.834 -8.138 33 HG2 GLN 7 HG2 GLN 7 13.063 -0.979 -9.769 34 HG3 GLN 7 HG1 GLN 7 11.624 -1.478 -10.636 35 HE21 GLN 7 HE21 GLN 7 14.091 -0.446 -11.623 36 HE22 GLN 7 HE22 GLN 7 13.707 0.971 -12.555 37 H LEU 8 HN LEU 8 9.174 2.054 -8.249 38 HA LEU 8 HA LEU 8 8.566 1.524 -5.584 39 HB2 LEU 8 HB2 LEU 8 8.955 3.745 -6.788 40 HB3 LEU 8 HB1 LEU 8 7.325 3.627 -7.361 41 HG LEU 8 HG LEU 8 8.154 3.932 -4.527 42 HD11 LEU 8 HD11 LEU 8 8.606 5.899 -5.839 43 HD12 LEU 8 HD12 LEU 8 7.210 6.223 -4.804 44 HD13 LEU 8 HD13 LEU 8 6.981 5.861 -6.515 45 HD21 LEU 8 HD21 LEU 8 5.754 4.481 -4.125 46 HD22 LEU 8 HD22 LEU 8 6.044 2.805 -4.588 47 HD23 LEU 8 HD23 LEU 8 5.411 3.938 -5.780 48 H GLU 9 HN GLU 9 6.411 2.016 -8.332 49 HA GLU 9 HA GLU 9 4.043 1.338 -6.947 50 HB2 GLU 9 HB2 GLU 9 4.184 2.857 -8.834 51 HB3 GLU 9 HB1 GLU 9 4.580 1.529 -9.922 52 HG2 GLU 9 HG2 GLU 9 2.338 0.523 -9.323 53 HG3 GLU 9 HG1 GLU 9 1.980 2.018 -8.460 54 H TRP 10 HN TRP 10 6.352 -0.417 -8.875 55 HA TRP 10 HA TRP 10 4.910 -2.755 -9.313 56 HB2 TRP 10 HB2 TRP 10 6.973 -2.354 -10.534 57 HB3 TRP 10 HB1 TRP 10 7.894 -2.382 -9.033 58 HD1 TRP 10 HD1 TRP 10 5.972 -4.782 -11.367 59 HE1 TRP 10 HE1 TRP 10 6.841 -7.168 -10.966 60 HE3 TRP 10 HE3 TRP 10 9.081 -3.888 -7.413 61 HZ2 TRP 10 HZ2 TRP 10 8.573 -8.497 -9.223 62 HZ3 TRP 10 HZ3 TRP 10 10.296 -5.784 -6.433 63 HH2 TRP 10 HH2 TRP 10 10.036 -8.041 -7.319 64 H THR 11 HN THR 11 7.276 -2.072 -6.665 65 HA THR 11 HA THR 11 6.918 -4.545 -5.433 66 HB THR 11 HB THR 11 7.575 -1.942 -4.048 67 HG1 THR 11 HG1 THR 11 9.329 -3.910 -5.160 68 HG21 THR 11 HG21 THR 11 8.723 -3.387 -2.426 69 HG22 THR 11 HG22 THR 11 8.198 -4.809 -3.323 70 HG23 THR 11 HG23 THR 11 7.006 -3.780 -2.527 71 H LEU 12 HN LEU 12 5.189 -1.551 -4.982 72 HA LEU 12 HA LEU 12 3.672 -2.392 -2.835 73 HB2 LEU 12 HB2 LEU 12 3.185 -0.433 -4.996 74 HB3 LEU 12 HB1 LEU 12 2.059 -0.585 -3.649 75 HG LEU 12 HG LEU 12 4.937 0.342 -3.580 76 HD11 LEU 12 HD11 LEU 12 3.935 2.443 -2.803 77 HD12 LEU 12 HD12 LEU 12 2.329 1.734 -3.009 78 HD13 LEU 12 HD13 LEU 12 3.370 1.987 -4.408 79 HD21 LEU 12 HD21 LEU 12 3.001 -0.083 -1.301 80 HD22 LEU 12 HD22 LEU 12 4.550 0.744 -1.172 81 HD23 LEU 12 HD23 LEU 12 4.503 -0.970 -1.572 82 H GLN 13 HN GLN 13 3.005 -2.348 -6.370 83 HA GLN 13 HA GLN 13 0.382 -3.343 -6.244 84 HB2 GLN 13 HB2 GLN 13 0.427 -3.546 -8.600 85 HB3 GLN 13 HB1 GLN 13 1.493 -2.190 -8.253 86 HG2 GLN 13 HG2 GLN 13 3.396 -3.870 -8.454 87 HG3 GLN 13 HG1 GLN 13 2.202 -4.993 -9.079 88 HE21 GLN 13 HE21 GLN 13 2.336 -1.543 -9.708 89 HE22 GLN 13 HE22 GLN 13 2.663 -1.681 -11.390 90 H THR 14 HN THR 14 3.471 -4.978 -6.551 91 HA THR 14 HA THR 14 2.510 -7.516 -7.174 92 HB THR 14 HB THR 14 5.036 -6.749 -5.688 93 HG1 THR 14 HG1 THR 14 5.175 -5.722 -7.605 94 HG21 THR 14 HG21 THR 14 5.980 -8.769 -6.668 95 HG22 THR 14 HG22 THR 14 4.425 -9.172 -7.397 96 HG23 THR 14 HG23 THR 14 4.609 -9.188 -5.631 97 H LEU 15 HN LEU 15 2.899 -5.895 -4.092 98 HA LEU 15 HA LEU 15 2.303 -8.171 -2.464 99 HB2 LEU 15 HB2 LEU 15 1.997 -5.229 -1.914 100 HB3 LEU 15 HB1 LEU 15 1.931 -6.495 -0.707 101 HG LEU 15 HG LEU 15 4.361 -5.964 -2.394 102 HD11 LEU 15 HD11 LEU 15 3.828 -3.995 -1.017 103 HD12 LEU 15 HD12 LEU 15 5.278 -4.840 -0.460 104 HD13 LEU 15 HD13 LEU 15 3.762 -5.040 0.414 105 HD21 LEU 15 HD21 LEU 15 3.961 -7.519 0.170 106 HD22 LEU 15 HD22 LEU 15 5.489 -7.258 -0.644 107 HD23 LEU 15 HD23 LEU 15 4.227 -8.204 -1.434 108 H LEU 16 HN LEU 16 0.494 -5.432 -3.707 109 HA LEU 16 HA LEU 16 -1.961 -6.199 -2.513 110 HB2 LEU 16 HB2 LEU 16 -1.368 -4.180 -4.667 111 HB3 LEU 16 HB1 LEU 16 -2.898 -4.348 -3.822 112 HG LEU 16 HG LEU 16 -0.298 -3.660 -2.449 113 HD11 LEU 16 HD11 LEU 16 -2.554 -1.844 -3.266 114 HD12 LEU 16 HD12 LEU 16 -0.956 -1.900 -4.013 115 HD13 LEU 16 HD13 LEU 16 -1.124 -1.384 -2.338 116 HD21 LEU 16 HD21 LEU 16 -1.939 -4.704 -0.994 117 HD22 LEU 16 HD22 LEU 16 -3.165 -3.566 -1.551 118 HD23 LEU 16 HD23 LEU 16 -1.786 -2.983 -0.624 119 H GLU 17 HN GLU 17 -0.419 -7.261 -5.338 120 HA GLU 17 HA GLU 17 -2.895 -8.231 -6.511 121 HB2 GLU 17 HB2 GLU 17 -0.027 -8.705 -7.309 122 HB3 GLU 17 HB1 GLU 17 -1.413 -9.327 -8.184 123 HG2 GLU 17 HG2 GLU 17 -2.143 -7.006 -8.603 124 HG3 GLU 17 HG1 GLU 17 -0.691 -6.425 -7.802 125 H GLN 18 HN GLN 18 -0.705 -9.187 -4.185 126 HA GLN 18 HA GLN 18 -1.336 -12.021 -4.443 127 HB2 GLN 18 HB2 GLN 18 0.475 -10.487 -2.587 128 HB3 GLN 18 HB1 GLN 18 0.159 -12.210 -2.399 129 HG2 GLN 18 HG2 GLN 18 1.133 -12.667 -4.540 130 HG3 GLN 18 HG1 GLN 18 1.313 -10.944 -4.866 131 HE21 GLN 18 HE21 GLN 18 2.907 -9.839 -3.894 132 HE22 GLN 18 HE22 GLN 18 4.260 -10.576 -3.097 133 H LEU 19 HN LEU 19 -1.933 -9.246 -2.423 134 HA LEU 19 HA LEU 19 -3.954 -10.784 -0.940 135 HB2 LEU 19 HB2 LEU 19 -3.626 -9.307 0.884 136 HB3 LEU 19 HB1 LEU 19 -2.001 -9.618 0.310 137 HG LEU 19 HG LEU 19 -2.737 -7.377 -1.074 138 HD11 LEU 19 HD11 LEU 19 -3.595 -5.760 0.558 139 HD12 LEU 19 HD12 LEU 19 -3.974 -7.130 1.623 140 HD13 LEU 19 HD13 LEU 19 -4.705 -7.018 0.022 141 HD21 LEU 19 HD21 LEU 19 -1.216 -7.453 1.534 142 HD22 LEU 19 HD22 LEU 19 -1.259 -6.129 0.335 143 HD23 LEU 19 HD23 LEU 19 -0.583 -7.675 -0.114 144 H ASN 20 HN ASN 20 -5.973 -10.358 -1.787 145 HA ASN 20 HA ASN 20 -6.824 -7.680 -2.186 146 HB2 ASN 20 HB2 ASN 20 -7.210 -7.673 -4.660 147 HB3 ASN 20 HB1 ASN 20 -5.525 -7.641 -4.176 148 HD21 ASN 20 HD21 ASN 20 -4.444 -9.628 -4.165 149 HD22 ASN 20 HD22 ASN 20 -4.738 -10.817 -5.400 150 H GLU 21 HN GLU 21 -7.551 -11.050 -2.720 151 HA GLU 21 HA GLU 21 -10.176 -10.764 -3.587 152 HB2 GLU 21 HB2 GLU 21 -8.933 -12.857 -3.700 153 HB3 GLU 21 HB1 GLU 21 -8.949 -12.977 -1.948 154 HG2 GLU 21 HG2 GLU 21 -11.336 -13.258 -1.953 155 HG3 GLU 21 HG1 GLU 21 -11.389 -13.000 -3.697 156 H ASP 22 HN ASP 22 -9.377 -11.846 -0.266 157 HA ASP 22 HA ASP 22 -11.598 -10.120 0.609 158 HB2 ASP 22 HB2 ASP 22 -10.497 -12.622 1.912 159 HB3 ASP 22 HB1 ASP 22 -11.709 -11.579 2.644 160 H GLU 23 HN GLU 23 -8.577 -10.129 0.278 161 HA GLU 23 HA GLU 23 -7.569 -9.500 2.914 162 HB2 GLU 23 HB2 GLU 23 -6.168 -9.278 0.285 163 HB3 GLU 23 HB1 GLU 23 -5.484 -9.554 1.888 164 HG2 GLU 23 HG2 GLU 23 -7.345 -11.421 0.535 165 HG3 GLU 23 HG1 GLU 23 -5.585 -11.566 0.373 166 H LEU 24 HN LEU 24 -8.492 -7.882 -0.047 167 HA LEU 24 HA LEU 24 -7.194 -5.450 0.668 168 HB2 LEU 24 HB2 LEU 24 -8.203 -6.472 -1.674 169 HB3 LEU 24 HB1 LEU 24 -9.396 -5.285 -1.224 170 HG LEU 24 HG LEU 24 -7.682 -3.545 -1.128 171 HD11 LEU 24 HD11 LEU 24 -5.850 -5.728 -2.115 172 HD12 LEU 24 HD12 LEU 24 -5.723 -4.888 -0.567 173 HD13 LEU 24 HD13 LEU 24 -5.463 -4.017 -2.074 174 HD21 LEU 24 HD21 LEU 24 -7.655 -5.082 -3.699 175 HD22 LEU 24 HD22 LEU 24 -7.345 -3.351 -3.454 176 HD23 LEU 24 HD23 LEU 24 -8.957 -4.014 -3.172 177 H LYS 25 HN LYS 25 -10.260 -6.914 1.145 178 HA LYS 25 HA LYS 25 -11.896 -4.857 2.013 179 HB2 LYS 25 HB2 LYS 25 -11.565 -7.636 3.168 180 HB3 LYS 25 HB1 LYS 25 -12.906 -6.565 3.525 181 HG2 LYS 25 HG2 LYS 25 -13.681 -6.701 1.256 182 HG3 LYS 25 HG1 LYS 25 -12.240 -7.614 0.793 183 HD2 LYS 25 HD2 LYS 25 -12.853 -9.458 2.067 184 HD3 LYS 25 HD1 LYS 25 -14.126 -8.591 2.931 185 HE2 LYS 25 HE2 LYS 25 -15.225 -9.972 1.346 186 HE3 LYS 25 HE1 LYS 25 -15.281 -8.348 0.672 187 HZ1 LYS 25 HZ1 LYS 25 -14.719 -9.881 -1.028 188 HZ2 LYS 25 HZ2 LYS 25 -13.558 -10.615 -0.108 189 HZ3 LYS 25 HZ3 LYS 25 -13.288 -9.045 -0.722 190 H SER 26 HN SER 26 -9.518 -6.836 3.808 191 HA SER 26 HA SER 26 -9.620 -5.637 6.250 192 HB2 SER 26 HB2 SER 26 -7.501 -7.057 4.704 193 HB3 SER 26 HB1 SER 26 -7.474 -6.789 6.428 194 HG SER 26 HG SER 26 -9.709 -7.873 6.201 195 H PHE 27 HN PHE 27 -7.280 -5.345 3.587 196 HA PHE 27 HA PHE 27 -5.516 -3.566 4.656 197 HB2 PHE 27 HB2 PHE 27 -5.143 -4.839 2.613 198 HB3 PHE 27 HB1 PHE 27 -6.341 -3.870 1.782 199 HD1 PHE 27 HD1 PHE 27 -5.767 -1.350 1.433 200 HD2 PHE 27 HD2 PHE 27 -2.883 -4.207 2.717 201 HE1 PHE 27 HE1 PHE 27 -3.957 0.183 0.784 202 HE2 PHE 27 HE2 PHE 27 -1.076 -2.672 2.078 203 HZ PHE 27 HZ PHE 27 -1.610 -0.471 1.110 204 H LYS 28 HN LYS 28 -8.257 -2.712 2.528 205 HA LYS 28 HA LYS 28 -7.786 0.044 2.483 206 HB2 LYS 28 HB2 LYS 28 -10.402 -1.437 2.175 207 HB3 LYS 28 HB1 LYS 28 -10.172 0.256 1.778 208 HG2 LYS 28 HG2 LYS 28 -8.611 -0.349 0.018 209 HG3 LYS 28 HG1 LYS 28 -8.748 -2.051 0.465 210 HD2 LYS 28 HD2 LYS 28 -11.168 -1.963 -0.061 211 HD3 LYS 28 HD1 LYS 28 -10.969 -0.291 -0.586 212 HE2 LYS 28 HE2 LYS 28 -9.421 -1.012 -2.329 213 HE3 LYS 28 HE1 LYS 28 -9.550 -2.672 -1.760 214 HZ1 LYS 28 HZ1 LYS 28 -11.742 -1.059 -2.940 215 HZ2 LYS 28 HZ2 LYS 28 -11.914 -2.618 -2.347 216 HZ3 LYS 28 HZ3 LYS 28 -10.939 -2.331 -3.698 217 H SER 29 HN SER 29 -9.757 -1.926 4.678 218 HA SER 29 HA SER 29 -10.960 0.145 6.029 219 HB2 SER 29 HB2 SER 29 -10.387 -2.680 6.354 220 HB3 SER 29 HB1 SER 29 -11.241 -1.868 7.636 221 HG SER 29 HG SER 29 -12.121 -2.874 5.303 222 H LEU 30 HN LEU 30 -8.253 -1.937 6.844 223 HA LEU 30 HA LEU 30 -7.531 -0.826 9.332 224 HB2 LEU 30 HB2 LEU 30 -5.800 -2.095 7.237 225 HB3 LEU 30 HB1 LEU 30 -5.314 -1.840 8.901 226 HG LEU 30 HG LEU 30 -7.686 -3.513 8.118 227 HD11 LEU 30 HD11 LEU 30 -6.190 -5.449 8.441 228 HD12 LEU 30 HD12 LEU 30 -4.832 -4.336 8.663 229 HD13 LEU 30 HD13 LEU 30 -5.670 -4.408 7.114 230 HD21 LEU 30 HD21 LEU 30 -7.676 -2.717 10.422 231 HD22 LEU 30 HD22 LEU 30 -6.046 -3.349 10.651 232 HD23 LEU 30 HD23 LEU 30 -7.389 -4.456 10.367 233 H LEU 31 HN LEU 31 -6.517 -0.028 6.086 234 HA LEU 31 HA LEU 31 -4.723 2.052 6.661 235 HB2 LEU 31 HB2 LEU 31 -4.562 1.306 4.545 236 HB3 LEU 31 HB1 LEU 31 -6.260 0.994 4.375 237 HG LEU 31 HG LEU 31 -6.422 3.607 4.154 238 HD11 LEU 31 HD11 LEU 31 -3.497 3.236 3.624 239 HD12 LEU 31 HD12 LEU 31 -4.267 4.250 4.860 240 HD13 LEU 31 HD13 LEU 31 -4.445 4.645 3.155 241 HD21 LEU 31 HD21 LEU 31 -5.954 3.490 1.745 242 HD22 LEU 31 HD22 LEU 31 -6.919 2.144 2.342 243 HD23 LEU 31 HD23 LEU 31 -5.204 1.907 1.987 244 H TRP 32 HN TRP 32 -8.197 1.941 6.411 245 HA TRP 32 HA TRP 32 -8.432 4.791 6.713 246 HB2 TRP 32 HB2 TRP 32 -9.957 2.833 5.566 247 HB3 TRP 32 HB1 TRP 32 -10.878 3.214 7.028 248 HD1 TRP 32 HD1 TRP 32 -12.398 5.306 6.839 249 HE1 TRP 32 HE1 TRP 32 -12.620 7.226 5.146 250 HE3 TRP 32 HE3 TRP 32 -8.425 4.216 4.052 251 HZ2 TRP 32 HZ2 TRP 32 -11.208 8.174 2.853 252 HZ3 TRP 32 HZ3 TRP 32 -7.836 5.661 2.064 253 HH2 TRP 32 HH2 TRP 32 -9.230 7.598 1.500 254 H ALA 33 HN ALA 33 -7.543 2.513 8.774 255 HA ALA 33 HA ALA 33 -9.295 3.293 11.002 256 HB1 ALA 33 HB1 ALA 33 -8.632 1.250 12.113 257 HB2 ALA 33 HB2 ALA 33 -7.490 0.894 10.823 258 HB3 ALA 33 HB3 ALA 33 -9.221 0.881 10.490 259 H PHE 34 HN PHE 34 -5.987 3.282 9.874 260 HA PHE 34 HA PHE 34 -4.996 4.020 12.448 261 HB2 PHE 34 HB2 PHE 34 -2.795 4.133 11.404 262 HB3 PHE 34 HB1 PHE 34 -3.640 2.789 10.673 263 HD1 PHE 34 HD1 PHE 34 -2.873 6.385 10.049 264 HD2 PHE 34 HD2 PHE 34 -3.612 2.530 8.431 265 HE1 PHE 34 HE1 PHE 34 -2.312 7.227 7.829 266 HE2 PHE 34 HE2 PHE 34 -3.058 3.372 6.192 267 HZ PHE 34 HZ PHE 34 -2.435 5.747 5.887 268 HA PRO 35 HA PRO 35 -5.823 8.360 12.246 269 HB2 PRO 35 HB2 PRO 35 -3.431 9.422 13.123 270 HB3 PRO 35 HB1 PRO 35 -4.679 8.781 14.197 271 HG2 PRO 35 HG2 PRO 35 -2.182 7.482 13.195 272 HG3 PRO 35 HG1 PRO 35 -2.901 7.416 14.812 273 HD2 PRO 35 HD2 PRO 35 -3.156 5.391 13.088 274 HD3 PRO 35 HD1 PRO 35 -4.482 5.838 14.183 275 H LEU 36 HN LEU 36 -6.005 9.180 10.283 276 HA LEU 36 HA LEU 36 -3.930 8.952 8.357 277 HB2 LEU 36 HB2 LEU 36 -6.439 10.596 8.240 278 HB3 LEU 36 HB1 LEU 36 -5.370 10.285 6.897 279 HG LEU 36 HG LEU 36 -7.178 8.310 8.287 280 HD11 LEU 36 HD11 LEU 36 -8.168 8.096 6.092 281 HD12 LEU 36 HD12 LEU 36 -6.982 9.228 5.452 282 HD13 LEU 36 HD13 LEU 36 -8.196 9.795 6.610 283 HD21 LEU 36 HD21 LEU 36 -5.067 7.205 7.825 284 HD22 LEU 36 HD22 LEU 36 -5.106 7.793 6.159 285 HD23 LEU 36 HD23 LEU 36 -6.316 6.635 6.720 286 H GLU 37 HN GLU 37 -2.750 10.521 7.473 287 HA GLU 37 HA GLU 37 -2.396 12.827 9.188 288 HB2 GLU 37 HB2 GLU 37 -0.454 11.496 7.277 289 HB3 GLU 37 HB1 GLU 37 -0.078 12.851 8.349 290 HG2 GLU 37 HG2 GLU 37 -0.624 11.464 10.308 291 HG3 GLU 37 HG1 GLU 37 -1.019 10.140 9.239 292 H ASP 38 HN ASP 38 -1.586 14.769 7.956 293 HA ASP 38 HA ASP 38 -3.634 15.927 6.709 294 HB2 ASP 38 HB2 ASP 38 -2.182 17.697 5.880 295 HB3 ASP 38 HB1 ASP 38 -1.770 17.217 7.519 296 H VAL 39 HN VAL 39 -0.982 14.758 4.687 297 HA VAL 39 HA VAL 39 -2.363 15.346 2.270 298 HB VAL 39 HB VAL 39 -0.066 13.390 2.639 299 HG11 VAL 39 HG11 VAL 39 -1.226 13.033 0.510 300 HG12 VAL 39 HG12 VAL 39 0.370 13.738 0.250 301 HG13 VAL 39 HG13 VAL 39 -1.070 14.749 0.134 302 HG21 VAL 39 HG21 VAL 39 -0.057 16.291 1.838 303 HG22 VAL 39 HG22 VAL 39 1.354 15.238 1.917 304 HG23 VAL 39 HG23 VAL 39 0.474 15.650 3.392 305 H LEU 40 HN LEU 40 -2.444 12.552 4.301 306 HA LEU 40 HA LEU 40 -3.518 10.720 2.375 307 HB2 LEU 40 HB2 LEU 40 -3.463 10.699 5.358 308 HB3 LEU 40 HB1 LEU 40 -4.090 9.380 4.391 309 HG LEU 40 HG LEU 40 -1.250 10.372 4.263 310 HD11 LEU 40 HD11 LEU 40 -2.507 8.080 5.745 311 HD12 LEU 40 HD12 LEU 40 -1.758 9.511 6.467 312 HD13 LEU 40 HD13 LEU 40 -0.778 8.356 5.571 313 HD21 LEU 40 HD21 LEU 40 -2.595 7.864 3.242 314 HD22 LEU 40 HD22 LEU 40 -0.873 8.225 3.150 315 HD23 LEU 40 HD23 LEU 40 -2.023 9.206 2.247 316 H GLN 41 HN GLN 41 -4.838 13.287 4.095 317 HA GLN 41 HA GLN 41 -7.425 12.116 4.456 318 HB2 GLN 41 HB2 GLN 41 -6.531 14.973 4.718 319 HB3 GLN 41 HB1 GLN 41 -8.122 14.376 5.176 320 HG2 GLN 41 HG2 GLN 41 -7.058 12.880 6.819 321 HG3 GLN 41 HG1 GLN 41 -5.489 13.544 6.382 322 HE21 GLN 41 HE21 GLN 41 -6.625 16.246 6.073 323 HE22 GLN 41 HE22 GLN 41 -6.883 16.833 7.668 324 H LYS 42 HN LYS 42 -5.886 13.200 1.726 325 HA LYS 42 HA LYS 42 -8.428 14.022 0.518 326 HB2 LYS 42 HB2 LYS 42 -7.181 14.856 -1.370 327 HB3 LYS 42 HB1 LYS 42 -6.525 15.530 0.105 328 HG2 LYS 42 HG2 LYS 42 -4.633 14.005 0.017 329 HG3 LYS 42 HG1 LYS 42 -5.311 13.216 -1.408 330 HD2 LYS 42 HD2 LYS 42 -4.598 16.147 -1.316 331 HD3 LYS 42 HD1 LYS 42 -3.482 14.896 -1.850 332 HE2 LYS 42 HE2 LYS 42 -6.202 15.110 -3.086 333 HE3 LYS 42 HE1 LYS 42 -4.894 16.168 -3.652 334 HZ1 LYS 42 HZ1 LYS 42 -5.019 13.191 -3.707 335 HZ2 LYS 42 HZ2 LYS 42 -3.657 14.110 -4.154 336 HZ3 LYS 42 HZ3 LYS 42 -5.073 14.253 -5.004 337 H THR 43 HN THR 43 -6.995 11.223 1.128 338 HA THR 43 HA THR 43 -6.686 9.980 -1.349 339 HB THR 43 HB THR 43 -7.370 8.680 1.303 340 HG1 THR 43 HG1 THR 43 -5.520 9.448 1.813 341 HG21 THR 43 HG21 THR 43 -5.948 7.601 -1.147 342 HG22 THR 43 HG22 THR 43 -7.575 7.158 -0.632 343 HG23 THR 43 HG23 THR 43 -6.186 6.732 0.371 344 HA PRO 44 HA PRO 44 -11.080 9.839 -2.272 345 HB2 PRO 44 HB2 PRO 44 -10.815 8.842 -4.767 346 HB3 PRO 44 HB1 PRO 44 -10.538 10.545 -4.385 347 HG2 PRO 44 HG2 PRO 44 -8.529 8.330 -4.686 348 HG3 PRO 44 HG1 PRO 44 -8.443 9.965 -5.355 349 HD2 PRO 44 HD2 PRO 44 -7.082 9.350 -3.159 350 HD3 PRO 44 HD1 PRO 44 -7.888 10.898 -3.319 351 H TRP 45 HN TRP 45 -11.860 8.208 -0.956 352 HA TRP 45 HA TRP 45 -11.204 5.462 -1.235 353 HB2 TRP 45 HB2 TRP 45 -12.237 6.306 0.857 354 HB3 TRP 45 HB1 TRP 45 -13.709 6.710 -0.014 355 HD1 TRP 45 HD1 TRP 45 -15.201 4.591 -0.885 356 HE1 TRP 45 HE1 TRP 45 -15.464 2.200 0.059 357 HE3 TRP 45 HE3 TRP 45 -11.068 4.442 2.091 358 HZ2 TRP 45 HZ2 TRP 45 -14.094 0.499 1.816 359 HZ3 TRP 45 HZ3 TRP 45 -10.618 2.400 3.378 360 HH2 TRP 45 HH2 TRP 45 -12.099 0.472 3.252 361 H SER 46 HN SER 46 -13.452 7.560 -2.823 362 HA SER 46 HA SER 46 -15.157 5.724 -4.025 363 HB2 SER 46 HB2 SER 46 -15.475 8.199 -4.059 364 HB3 SER 46 HB1 SER 46 -14.116 8.343 -5.161 365 HG SER 46 HG SER 46 -16.371 6.753 -5.756 366 H GLU 47 HN GLU 47 -11.906 6.760 -4.917 367 HA GLU 47 HA GLU 47 -11.882 5.257 -7.356 368 HB2 GLU 47 HB2 GLU 47 -9.609 6.490 -5.785 369 HB3 GLU 47 HB1 GLU 47 -9.481 5.815 -7.401 370 HG2 GLU 47 HG2 GLU 47 -11.161 8.192 -6.632 371 HG3 GLU 47 HG1 GLU 47 -9.577 8.267 -7.411 372 H VAL 48 HN VAL 48 -10.663 4.877 -4.048 373 HA VAL 48 HA VAL 48 -9.166 2.539 -4.544 374 HB VAL 48 HB VAL 48 -8.754 2.311 -2.273 375 HG11 VAL 48 HG11 VAL 48 -7.820 4.306 -2.920 376 HG12 VAL 48 HG12 VAL 48 -8.432 4.476 -1.263 377 HG13 VAL 48 HG13 VAL 48 -9.325 5.179 -2.609 378 HG21 VAL 48 HG21 VAL 48 -11.405 3.573 -1.644 379 HG22 VAL 48 HG22 VAL 48 -10.163 3.247 -0.437 380 HG23 VAL 48 HG23 VAL 48 -10.885 1.917 -1.342 381 H GLU 49 HN GLU 49 -12.505 3.058 -3.929 382 HA GLU 49 HA GLU 49 -13.347 0.622 -2.916 383 HB2 GLU 49 HB2 GLU 49 -14.524 2.926 -3.433 384 HB3 GLU 49 HB1 GLU 49 -15.094 2.012 -4.824 385 HG2 GLU 49 HG2 GLU 49 -15.216 0.928 -2.088 386 HG3 GLU 49 HG1 GLU 49 -16.504 1.972 -2.667 387 H GLU 50 HN GLU 50 -12.934 1.716 -6.238 388 HA GLU 50 HA GLU 50 -13.698 -0.921 -7.132 389 HB2 GLU 50 HB2 GLU 50 -13.386 1.667 -8.641 390 HB3 GLU 50 HB1 GLU 50 -13.709 0.121 -9.414 391 HG2 GLU 50 HG2 GLU 50 -15.795 -0.077 -8.163 392 HG3 GLU 50 HG1 GLU 50 -15.475 1.463 -7.370 393 H ALA 51 HN ALA 51 -11.041 0.283 -6.089 394 HA ALA 51 HA ALA 51 -9.255 -0.606 -8.254 395 HB1 ALA 51 HB1 ALA 51 -7.536 0.683 -7.182 396 HB2 ALA 51 HB2 ALA 51 -8.648 1.115 -5.886 397 HB3 ALA 51 HB3 ALA 51 -8.941 1.695 -7.531 398 H ASP 52 HN ASP 52 -7.837 -2.126 -7.973 399 HA ASP 52 HA ASP 52 -7.448 -3.241 -5.328 400 HB2 ASP 52 HB2 ASP 52 -7.731 -5.488 -6.091 401 HB3 ASP 52 HB1 ASP 52 -9.184 -4.602 -6.521 402 H GLY 53 HN GLY 53 -5.529 -4.597 -5.290 403 HA2 GLY 53 HA2 GLY 53 -3.306 -4.911 -5.612 404 HA3 GLY 53 HA1 GLY 53 -3.813 -5.265 -7.251 405 H LYS 54 HN LYS 54 -3.251 -3.975 -8.839 406 HA LYS 54 HA LYS 54 -1.032 -2.243 -8.532 407 HB2 LYS 54 HB2 LYS 54 -1.868 -3.629 -10.596 408 HB3 LYS 54 HB1 LYS 54 -2.793 -2.178 -10.940 409 HG2 LYS 54 HG2 LYS 54 -0.043 -1.552 -10.338 410 HG3 LYS 54 HG1 LYS 54 -0.193 -2.742 -11.607 411 HD2 LYS 54 HD2 LYS 54 -0.009 -0.571 -12.624 412 HD3 LYS 54 HD1 LYS 54 -1.629 -1.191 -12.889 413 HE2 LYS 54 HE2 LYS 54 -2.585 0.385 -11.505 414 HE3 LYS 54 HE1 LYS 54 -1.112 0.596 -10.557 415 HZ1 LYS 54 HZ1 LYS 54 -1.324 1.474 -13.384 416 HZ2 LYS 54 HZ2 LYS 54 -0.140 1.866 -12.239 417 HZ3 LYS 54 HZ3 LYS 54 -1.713 2.474 -12.092 418 H LYS 55 HN LYS 55 -4.414 -1.773 -9.137 419 HA LYS 55 HA LYS 55 -4.162 0.879 -9.724 420 HB2 LYS 55 HB2 LYS 55 -6.497 -0.779 -8.947 421 HB3 LYS 55 HB1 LYS 55 -6.707 0.956 -9.046 422 HG2 LYS 55 HG2 LYS 55 -5.610 -0.745 -11.216 423 HG3 LYS 55 HG1 LYS 55 -7.332 -0.340 -11.094 424 HD2 LYS 55 HD2 LYS 55 -5.032 1.621 -11.432 425 HD3 LYS 55 HD1 LYS 55 -6.147 1.118 -12.696 426 HE2 LYS 55 HE2 LYS 55 -8.025 2.064 -11.367 427 HE3 LYS 55 HE1 LYS 55 -6.860 2.632 -10.180 428 HZ1 LYS 55 HZ1 LYS 55 -7.525 4.342 -11.752 429 HZ2 LYS 55 HZ2 LYS 55 -6.912 3.445 -13.022 430 HZ3 LYS 55 HZ3 LYS 55 -5.863 4.049 -11.815 431 H LEU 56 HN LEU 56 -4.776 -0.835 -6.788 432 HA LEU 56 HA LEU 56 -5.440 1.384 -5.181 433 HB2 LEU 56 HB2 LEU 56 -5.955 -0.955 -4.576 434 HB3 LEU 56 HB1 LEU 56 -4.249 -1.247 -4.319 435 HG LEU 56 HG LEU 56 -4.260 0.395 -2.469 436 HD11 LEU 56 HD11 LEU 56 -6.081 1.827 -3.202 437 HD12 LEU 56 HD12 LEU 56 -6.408 1.193 -1.587 438 HD13 LEU 56 HD13 LEU 56 -7.225 0.505 -2.987 439 HD21 LEU 56 HD21 LEU 56 -5.525 -0.965 -0.898 440 HD22 LEU 56 HD22 LEU 56 -4.595 -1.962 -2.015 441 HD23 LEU 56 HD23 LEU 56 -6.335 -1.768 -2.241 442 H ALA 57 HN ALA 57 -2.390 -0.240 -5.874 443 HA ALA 57 HA ALA 57 -0.677 1.230 -4.189 444 HB1 ALA 57 HB1 ALA 57 1.116 0.568 -5.720 445 HB2 ALA 57 HB2 ALA 57 -0.081 0.107 -6.930 446 HB3 ALA 57 HB3 ALA 57 0.030 -0.788 -5.420 447 H GLU 58 HN GLU 58 -2.001 1.904 -7.309 448 HA GLU 58 HA GLU 58 -0.488 4.153 -8.069 449 HB2 GLU 58 HB2 GLU 58 -1.852 2.770 -9.572 450 HB3 GLU 58 HB1 GLU 58 -3.300 3.307 -8.746 451 HG2 GLU 58 HG2 GLU 58 -2.847 5.597 -9.537 452 HG3 GLU 58 HG1 GLU 58 -1.465 4.969 -10.442 453 H ILE 59 HN ILE 59 -3.323 3.730 -6.079 454 HA ILE 59 HA ILE 59 -3.898 6.528 -5.926 455 HB ILE 59 HB ILE 59 -5.032 4.187 -4.343 456 HG12 ILE 59 HG12 ILE 59 -6.357 5.656 -6.600 457 HG13 ILE 59 HG11 ILE 59 -5.222 4.353 -6.937 458 HG21 ILE 59 HG21 ILE 59 -6.912 5.765 -3.885 459 HG22 ILE 59 HG22 ILE 59 -5.993 7.049 -4.664 460 HG23 ILE 59 HG23 ILE 59 -5.395 6.315 -3.180 461 HD11 ILE 59 HD11 ILE 59 -6.660 2.879 -5.606 462 HD12 ILE 59 HD12 ILE 59 -7.413 3.523 -7.033 463 HD13 ILE 59 HD13 ILE 59 -7.832 4.196 -5.438 464 H LEU 60 HN LEU 60 -2.237 4.114 -3.993 465 HA LEU 60 HA LEU 60 -1.768 5.744 -1.733 466 HB2 LEU 60 HB2 LEU 60 -0.460 3.255 -2.761 467 HB3 LEU 60 HB1 LEU 60 0.370 4.174 -1.536 468 HG LEU 60 HG LEU 60 -0.804 2.332 -0.528 469 HD11 LEU 60 HD11 LEU 60 -2.139 4.933 0.152 470 HD12 LEU 60 HD12 LEU 60 -0.616 4.320 0.794 471 HD13 LEU 60 HD13 LEU 60 -2.125 3.480 1.150 472 HD21 LEU 60 HD21 LEU 60 -2.576 1.981 -2.149 473 HD22 LEU 60 HD22 LEU 60 -3.329 3.506 -1.677 474 HD23 LEU 60 HD23 LEU 60 -3.252 2.161 -0.531 475 H VAL 61 HN VAL 61 0.040 5.326 -4.758 476 HA VAL 61 HA VAL 61 2.180 7.023 -3.853 477 HB VAL 61 HB VAL 61 3.117 6.890 -6.072 478 HG11 VAL 61 HG11 VAL 61 3.478 4.974 -4.679 479 HG12 VAL 61 HG12 VAL 61 3.318 4.472 -6.364 480 HG13 VAL 61 HG13 VAL 61 1.977 4.243 -5.243 481 HG21 VAL 61 HG21 VAL 61 0.530 5.599 -6.927 482 HG22 VAL 61 HG22 VAL 61 1.978 5.724 -7.927 483 HG23 VAL 61 HG23 VAL 61 1.120 7.185 -7.422 484 H ASN 62 HN ASN 62 -0.891 7.657 -4.801 485 HA ASN 62 HA ASN 62 -0.319 10.136 -6.180 486 HB2 ASN 62 HB2 ASN 62 -2.225 8.678 -6.876 487 HB3 ASN 62 HB1 ASN 62 -2.996 8.968 -5.326 488 HD21 ASN 62 HD21 ASN 62 -4.767 9.780 -6.339 489 HD22 ASN 62 HD22 ASN 62 -4.831 11.345 -7.048 490 H THR 63 HN THR 63 -0.519 9.085 -2.997 491 HA THR 63 HA THR 63 -1.159 11.775 -2.104 492 HB THR 63 HB THR 63 -1.683 10.571 0.130 493 HG1 THR 63 HG1 THR 63 -2.442 8.347 -1.318 494 HG21 THR 63 HG21 THR 63 -3.461 10.162 -2.287 495 HG22 THR 63 HG22 THR 63 -3.400 11.615 -1.287 496 HG23 THR 63 HG23 THR 63 -3.990 10.101 -0.605 497 H SER 64 HN SER 64 0.506 9.016 -0.595 498 HA SER 64 HA SER 64 2.459 10.897 0.451 499 HB2 SER 64 HB2 SER 64 1.935 8.008 1.133 500 HB3 SER 64 HB1 SER 64 3.081 9.081 1.943 501 HG SER 64 HG SER 64 1.491 10.128 2.875 502 H SER 65 HN SER 65 4.707 10.359 0.509 503 HA SER 65 HA SER 65 5.771 9.420 -1.974 504 HB2 SER 65 HB2 SER 65 7.106 10.116 0.639 505 HB3 SER 65 HB1 SER 65 7.899 10.028 -0.941 506 HG SER 65 HG SER 65 6.374 11.704 -1.577 507 H GLU 66 HN GLU 66 7.388 7.627 -2.041 508 HA GLU 66 HA GLU 66 6.444 5.239 -0.913 509 HB2 GLU 66 HB2 GLU 66 8.348 4.132 -1.884 510 HB3 GLU 66 HB1 GLU 66 7.782 5.350 -3.003 511 HG2 GLU 66 HG2 GLU 66 10.196 5.555 -1.216 512 HG3 GLU 66 HG1 GLU 66 10.199 5.219 -2.950 513 H ASN 67 HN ASN 67 8.922 7.423 0.082 514 HA ASN 67 HA ASN 67 10.119 6.049 2.187 515 HB2 ASN 67 HB2 ASN 67 10.875 8.228 1.249 516 HB3 ASN 67 HB1 ASN 67 9.502 9.009 2.020 517 HD21 ASN 67 HD21 ASN 67 10.700 10.336 3.277 518 HD22 ASN 67 HD22 ASN 67 11.649 9.813 4.606 519 H TRP 68 HN TRP 68 6.937 7.418 1.993 520 HA TRP 68 HA TRP 68 6.597 7.039 4.870 521 HB2 TRP 68 HB2 TRP 68 5.753 9.181 3.818 522 HB3 TRP 68 HB1 TRP 68 4.606 8.199 2.909 523 HD1 TRP 68 HD1 TRP 68 5.203 9.676 6.341 524 HE1 TRP 68 HE1 TRP 68 3.153 9.204 7.841 525 HE3 TRP 68 HE3 TRP 68 2.644 6.459 3.299 526 HZ2 TRP 68 HZ2 TRP 68 0.829 7.664 7.758 527 HZ3 TRP 68 HZ3 TRP 68 0.523 5.535 4.093 528 HH2 TRP 68 HH2 TRP 68 -0.361 6.124 6.280 529 H ILE 69 HN ILE 69 5.267 6.092 1.717 530 HA ILE 69 HA ILE 69 3.206 4.401 2.525 531 HB ILE 69 HB ILE 69 4.926 4.016 0.046 532 HG12 ILE 69 HG12 ILE 69 2.360 5.589 0.348 533 HG13 ILE 69 HG11 ILE 69 3.961 6.313 0.267 534 HG21 ILE 69 HG21 ILE 69 2.087 3.155 0.651 535 HG22 ILE 69 HG22 ILE 69 3.488 2.090 0.527 536 HG23 ILE 69 HG23 ILE 69 2.905 2.954 -0.898 537 HD11 ILE 69 HD11 ILE 69 2.655 4.675 -1.891 538 HD12 ILE 69 HD12 ILE 69 4.256 5.415 -1.979 539 HD13 ILE 69 HD13 ILE 69 2.818 6.430 -1.863 540 H ARG 70 HN ARG 70 6.626 3.793 2.355 541 HA ARG 70 HA ARG 70 6.805 1.066 2.512 542 HB2 ARG 70 HB2 ARG 70 8.898 1.353 3.739 543 HB3 ARG 70 HB1 ARG 70 8.800 2.510 2.417 544 HG2 ARG 70 HG2 ARG 70 8.282 4.288 3.965 545 HG3 ARG 70 HG1 ARG 70 8.201 3.142 5.301 546 HD2 ARG 70 HD2 ARG 70 10.600 2.656 5.017 547 HD3 ARG 70 HD1 ARG 70 10.659 3.806 3.675 548 HE ARG 70 HE ARG 70 9.706 5.350 5.568 549 HH11 ARG 70 HH11 ARG 70 12.430 3.101 5.800 550 HH12 ARG 70 HH12 ARG 70 13.303 4.044 6.911 551 HH21 ARG 70 HH21 ARG 70 10.841 6.575 7.159 552 HH22 ARG 70 HH22 ARG 70 12.345 6.055 7.750 553 H ASN 71 HN ASN 71 6.078 3.320 5.155 554 HA ASN 71 HA ASN 71 6.097 1.256 7.146 555 HB2 ASN 71 HB2 ASN 71 6.687 3.570 7.751 556 HB3 ASN 71 HB1 ASN 71 5.076 4.108 7.291 557 HD21 ASN 71 HD21 ASN 71 3.365 3.775 8.721 558 HD22 ASN 71 HD22 ASN 71 3.576 3.175 10.312 559 H ALA 72 HN ALA 72 3.787 2.833 5.131 560 HA ALA 72 HA ALA 72 1.438 2.134 6.498 561 HB1 ALA 72 HB1 ALA 72 1.774 2.630 3.550 562 HB2 ALA 72 HB2 ALA 72 1.538 3.868 4.779 563 HB3 ALA 72 HB3 ALA 72 0.262 2.692 4.460 564 H THR 73 HN THR 73 2.750 0.692 3.519 565 HA THR 73 HA THR 73 0.922 -1.501 3.551 566 HB THR 73 HB THR 73 2.054 -0.767 1.452 567 HG1 THR 73 HG1 THR 73 2.388 -3.445 2.285 568 HG21 THR 73 HG21 THR 73 4.298 -0.251 2.312 569 HG22 THR 73 HG22 THR 73 4.394 -1.406 0.985 570 HG23 THR 73 HG23 THR 73 4.572 -1.961 2.647 571 H VAL 74 HN VAL 74 4.175 -1.215 4.874 572 HA VAL 74 HA VAL 74 4.366 -3.900 5.573 573 HB VAL 74 HB VAL 74 5.659 -1.388 6.655 574 HG11 VAL 74 HG11 VAL 74 7.153 -2.788 7.995 575 HG12 VAL 74 HG12 VAL 74 6.157 -4.201 7.595 576 HG13 VAL 74 HG13 VAL 74 5.484 -2.890 8.559 577 HG21 VAL 74 HG21 VAL 74 6.723 -3.783 5.155 578 HG22 VAL 74 HG22 VAL 74 7.658 -2.368 5.651 579 HG23 VAL 74 HG23 VAL 74 6.363 -2.197 4.470 580 H ASN 75 HN ASN 75 3.102 -1.142 7.435 581 HA ASN 75 HA ASN 75 2.421 -2.571 9.776 582 HB2 ASN 75 HB2 ASN 75 2.566 -0.149 9.794 583 HB3 ASN 75 HB1 ASN 75 1.274 -0.029 8.617 584 HD21 ASN 75 HD21 ASN 75 2.023 -0.757 11.943 585 HD22 ASN 75 HD22 ASN 75 0.407 -0.627 12.521 586 H ILE 76 HN ILE 76 0.443 -1.683 6.985 587 HA ILE 76 HA ILE 76 -1.977 -2.810 7.938 588 HB ILE 76 HB ILE 76 -1.222 -2.799 5.006 589 HG12 ILE 76 HG12 ILE 76 -0.822 -0.533 5.975 590 HG13 ILE 76 HG11 ILE 76 -2.112 -0.561 4.782 591 HG21 ILE 76 HG21 ILE 76 -3.254 -3.999 5.597 592 HG22 ILE 76 HG22 ILE 76 -3.635 -2.540 4.681 593 HG23 ILE 76 HG23 ILE 76 -3.868 -2.569 6.428 594 HD11 ILE 76 HD11 ILE 76 -2.555 0.867 6.681 595 HD12 ILE 76 HD12 ILE 76 -2.504 -0.544 7.760 596 HD13 ILE 76 HD13 ILE 76 -3.752 -0.409 6.498 597 H LEU 77 HN LEU 77 0.572 -4.218 5.888 598 HA LEU 77 HA LEU 77 -0.610 -6.720 5.622 599 HB2 LEU 77 HB2 LEU 77 2.178 -5.682 5.304 600 HB3 LEU 77 HB1 LEU 77 1.886 -7.403 5.250 601 HG LEU 77 HG LEU 77 0.391 -7.110 3.339 602 HD11 LEU 77 HD11 LEU 77 0.962 -4.207 3.389 603 HD12 LEU 77 HD12 LEU 77 -0.579 -5.013 3.681 604 HD13 LEU 77 HD13 LEU 77 0.167 -5.092 2.086 605 HD21 LEU 77 HD21 LEU 77 2.043 -6.491 1.647 606 HD22 LEU 77 HD22 LEU 77 2.718 -7.552 2.884 607 HD23 LEU 77 HD23 LEU 77 3.068 -5.823 2.918 608 H GLU 78 HN GLU 78 1.606 -5.477 8.076 609 HA GLU 78 HA GLU 78 1.795 -7.870 9.543 610 HB2 GLU 78 HB2 GLU 78 2.298 -4.998 10.115 611 HB3 GLU 78 HB1 GLU 78 2.268 -6.051 11.498 612 HG2 GLU 78 HG2 GLU 78 4.037 -7.434 10.343 613 HG3 GLU 78 HG1 GLU 78 4.091 -6.194 9.094 614 H GLU 79 HN GLU 79 -0.625 -5.356 9.496 615 HA GLU 79 HA GLU 79 -2.079 -6.257 11.776 616 HB2 GLU 79 HB2 GLU 79 -2.777 -4.476 9.498 617 HB3 GLU 79 HB1 GLU 79 -3.915 -4.765 10.796 618 HG2 GLU 79 HG2 GLU 79 -1.197 -3.482 11.012 619 HG3 GLU 79 HG1 GLU 79 -2.748 -2.653 11.075 620 H MET 80 HN MET 80 -1.805 -7.395 8.608 621 HA MET 80 HA MET 80 -4.378 -8.787 8.762 622 HB2 MET 80 HB2 MET 80 -2.527 -8.309 6.429 623 HB3 MET 80 HB1 MET 80 -3.931 -9.360 6.335 624 HG2 MET 80 HG2 MET 80 -5.364 -7.445 6.931 625 HG3 MET 80 HG1 MET 80 -3.939 -6.416 6.948 626 HE1 MET 80 HE1 MET 80 -2.535 -5.804 4.814 627 HE2 MET 80 HE2 MET 80 -2.877 -6.400 3.192 628 HE3 MET 80 HE3 MET 80 -2.295 -7.507 4.433 629 H ASN 81 HN ASN 81 -1.541 -9.299 9.937 630 HA ASN 81 HA ASN 81 -0.333 -11.087 10.666 631 HB2 ASN 81 HB2 ASN 81 -2.624 -11.889 11.338 632 HB3 ASN 81 HB1 ASN 81 -2.758 -12.719 9.798 633 HD21 ASN 81 HD21 ASN 81 -3.074 -14.669 10.904 634 HD22 ASN 81 HD22 ASN 81 -1.798 -15.534 11.673 635 H LEU 82 HN LEU 82 0.045 -10.161 8.015 636 HA LEU 82 HA LEU 82 0.742 -12.590 6.546 637 HB2 LEU 82 HB2 LEU 82 0.525 -9.718 5.675 638 HB3 LEU 82 HB1 LEU 82 1.028 -11.025 4.621 639 HG LEU 82 HG LEU 82 -1.694 -10.705 5.902 640 HD11 LEU 82 HD11 LEU 82 -0.885 -10.461 3.006 641 HD12 LEU 82 HD12 LEU 82 -1.186 -9.116 4.083 642 HD13 LEU 82 HD13 LEU 82 -2.498 -10.226 3.683 643 HD21 LEU 82 HD21 LEU 82 -1.111 -13.053 5.660 644 HD22 LEU 82 HD22 LEU 82 -0.659 -12.784 3.982 645 HD23 LEU 82 HD23 LEU 82 -2.345 -12.605 4.479 646 H THR 83 HN THR 83 2.782 -13.237 6.967 647 HA THR 83 HA THR 83 4.857 -11.284 7.618 648 HB THR 83 HB THR 83 6.157 -13.515 7.814 649 HG1 THR 83 HG1 THR 83 4.771 -15.276 8.285 650 HG21 THR 83 HG21 THR 83 3.960 -12.818 9.783 651 HG22 THR 83 HG22 THR 83 5.588 -12.122 9.719 652 HG23 THR 83 HG23 THR 83 5.382 -13.822 10.115 653 H GLU 84 HN GLU 84 4.452 -14.014 5.506 654 HA GLU 84 HA GLU 84 6.755 -14.019 4.121 655 HB2 GLU 84 HB2 GLU 84 5.478 -15.063 2.260 656 HB3 GLU 84 HB1 GLU 84 5.229 -15.781 3.847 657 HG2 GLU 84 HG2 GLU 84 3.148 -14.271 3.949 658 HG3 GLU 84 HG1 GLU 84 3.373 -14.084 2.222 659 H LEU 85 HN LEU 85 3.959 -12.419 2.639 660 HA LEU 85 HA LEU 85 5.660 -11.146 0.770 661 HB2 LEU 85 HB2 LEU 85 3.711 -9.912 -0.068 662 HB3 LEU 85 HB1 LEU 85 3.416 -11.624 0.038 663 HG LEU 85 HG LEU 85 2.371 -9.642 2.076 664 HD11 LEU 85 HD11 LEU 85 1.019 -10.787 -0.366 665 HD12 LEU 85 HD12 LEU 85 1.498 -9.104 -0.142 666 HD13 LEU 85 HD13 LEU 85 0.240 -9.808 0.876 667 HD21 LEU 85 HD21 LEU 85 2.380 -11.915 2.912 668 HD22 LEU 85 HD22 LEU 85 1.680 -12.505 1.411 669 HD23 LEU 85 HD23 LEU 85 0.724 -11.489 2.480 670 H CYS 86 HN CYS 86 4.507 -10.194 3.867 671 HA CYS 86 HA CYS 86 4.935 -7.394 3.608 672 HB2 CYS 86 HB2 CYS 86 3.623 -8.490 5.451 673 HB3 CYS 86 HB1 CYS 86 5.140 -9.135 6.013 674 HG CYS 86 HG CYS 86 3.850 -6.530 7.198 675 H LYS 87 HN LYS 87 6.936 -10.100 4.607 676 HA LYS 87 HA LYS 87 9.220 -8.621 5.320 677 HB2 LYS 87 HB2 LYS 87 8.809 -11.469 4.466 678 HB3 LYS 87 HB1 LYS 87 10.365 -10.824 4.981 679 HG2 LYS 87 HG2 LYS 87 9.595 -10.420 7.170 680 HG3 LYS 87 HG1 LYS 87 7.907 -10.672 6.705 681 HD2 LYS 87 HD2 LYS 87 8.911 -12.553 7.968 682 HD3 LYS 87 HD1 LYS 87 8.316 -12.996 6.369 683 HE2 LYS 87 HE2 LYS 87 10.429 -14.024 6.791 684 HE3 LYS 87 HE1 LYS 87 10.518 -12.812 5.487 685 HZ1 LYS 87 HZ1 LYS 87 12.460 -12.677 6.952 686 HZ2 LYS 87 HZ2 LYS 87 11.490 -12.403 8.280 687 HZ3 LYS 87 HZ3 LYS 87 11.569 -11.262 7.055 688 H MET 88 HN MET 88 7.960 -9.758 2.270 689 HA MET 88 HA MET 88 10.365 -9.389 0.803 690 HB2 MET 88 HB2 MET 88 8.453 -10.876 0.147 691 HB3 MET 88 HB1 MET 88 7.496 -9.442 -0.118 692 HG2 MET 88 HG2 MET 88 8.338 -10.292 -2.210 693 HG3 MET 88 HG1 MET 88 8.982 -8.687 -1.849 694 HE1 MET 88 HE1 MET 88 10.120 -12.192 -0.372 695 HE2 MET 88 HE2 MET 88 11.419 -12.615 -1.486 696 HE3 MET 88 HE3 MET 88 9.757 -12.531 -2.066 697 H ALA 89 HN ALA 89 7.534 -7.599 1.646 698 HA ALA 89 HA ALA 89 7.941 -5.299 0.072 699 HB1 ALA 89 HB1 ALA 89 5.825 -5.792 1.277 700 HB2 ALA 89 HB2 ALA 89 6.417 -4.163 1.583 701 HB3 ALA 89 HB3 ALA 89 6.630 -5.416 2.799 702 H LYS 90 HN LYS 90 8.960 -6.173 3.311 703 HA LYS 90 HA LYS 90 10.282 -3.772 3.960 704 HB2 LYS 90 HB2 LYS 90 10.715 -6.575 4.999 705 HB3 LYS 90 HB1 LYS 90 11.416 -5.129 5.716 706 HG2 LYS 90 HG2 LYS 90 9.198 -4.273 6.204 707 HG3 LYS 90 HG1 LYS 90 8.475 -5.683 5.435 708 HD2 LYS 90 HD2 LYS 90 9.448 -7.133 7.097 709 HD3 LYS 90 HD1 LYS 90 10.268 -5.754 7.857 710 HE2 LYS 90 HE2 LYS 90 8.063 -4.731 8.261 711 HE3 LYS 90 HE1 LYS 90 7.288 -6.175 7.609 712 HZ1 LYS 90 HZ1 LYS 90 8.235 -7.431 9.470 713 HZ2 LYS 90 HZ2 LYS 90 7.316 -6.101 10.008 714 HZ3 LYS 90 HZ3 LYS 90 8.982 -6.028 10.043 715 H ALA 91 HN ALA 91 11.142 -6.408 1.986 716 HA ALA 91 HA ALA 91 13.953 -5.792 2.039 717 HB1 ALA 91 HB1 ALA 91 14.253 -7.796 0.705 718 HB2 ALA 91 HB2 ALA 91 12.512 -7.915 0.458 719 HB3 ALA 91 HB3 ALA 91 13.184 -8.157 2.063 720 H GLU 92 HN GLU 92 11.328 -5.637 -0.193 721 HA GLU 92 HA GLU 92 13.012 -4.649 -2.342 722 HB2 GLU 92 HB2 GLU 92 10.139 -5.090 -2.018 723 HB3 GLU 92 HB1 GLU 92 10.820 -4.635 -3.593 724 HG2 GLU 92 HG2 GLU 92 12.225 -6.802 -3.202 725 HG3 GLU 92 HG1 GLU 92 11.034 -7.155 -1.974 726 H MET 93 HN MET 93 10.511 -3.399 -0.203 727 HA MET 93 HA MET 93 10.852 -0.761 -1.358 728 HB2 MET 93 HB2 MET 93 8.569 -2.159 -0.092 729 HB3 MET 93 HB1 MET 93 8.788 -0.528 0.527 730 HG2 MET 93 HG2 MET 93 8.672 -1.171 -2.379 731 HG3 MET 93 HG1 MET 93 7.214 -1.041 -1.408 732 HE1 MET 93 HE1 MET 93 10.065 2.459 -2.559 733 HE2 MET 93 HE2 MET 93 10.225 0.797 -3.135 734 HE3 MET 93 HE3 MET 93 10.631 1.207 -1.465 735 H MET 94 HN MET 94 9.907 0.453 1.222 736 HA MET 94 HA MET 94 10.777 1.373 3.137 737 HB2 MET 94 HB2 MET 94 12.684 -1.003 3.163 738 HB3 MET 94 HB1 MET 94 12.400 0.117 4.486 739 HG2 MET 94 HG2 MET 94 10.365 -1.777 3.345 740 HG3 MET 94 HG1 MET 94 11.300 -2.047 4.815 741 HE1 MET 94 HE1 MET 94 9.855 0.663 7.230 742 HE2 MET 94 HE2 MET 94 11.301 0.788 6.231 743 HE3 MET 94 HE3 MET 94 10.936 -0.723 7.067 744 H GLU 95 HN GLU 95 13.508 1.438 3.872 745 HA GLU 95 HA GLU 95 14.326 3.191 1.671 746 HB2 GLU 95 HB2 GLU 95 15.826 4.283 3.285 747 HB3 GLU 95 HB1 GLU 95 14.156 4.315 3.831 748 HG2 GLU 95 HG2 GLU 95 14.583 2.536 5.382 749 HG3 GLU 95 HG1 GLU 95 16.224 2.344 4.760 750 H ASP 96 HN ASP 96 14.571 0.329 1.888 751 HA ASP 96 HA ASP 96 17.486 0.044 1.766 752 HB2 ASP 96 HB2 ASP 96 16.309 -1.443 3.379 753 HB3 ASP 96 HB1 ASP 96 15.441 -2.177 2.044 754 H GLY 97 HN GLY 97 14.994 -2.001 0.363 755 HA2 GLY 97 HA2 GLY 97 14.663 -2.746 -1.718 756 HA3 GLY 97 HA1 GLY 97 14.914 -1.067 -2.215 757 H GLN 98 HN GLN 98 17.239 -3.168 -0.715 758 HA GLN 98 HA GLN 98 18.926 -2.743 -3.062 759 HB2 GLN 98 HB2 GLN 98 19.708 -3.699 -0.322 760 HB3 GLN 98 HB1 GLN 98 20.798 -3.364 -1.657 761 HG2 GLN 98 HG2 GLN 98 20.159 -1.014 -1.576 762 HG3 GLN 98 HG1 GLN 98 19.057 -1.361 -0.243 763 HE21 GLN 98 HE21 GLN 98 19.926 -1.960 1.769 764 HE22 GLN 98 HE22 GLN 98 21.559 -1.593 2.165 Start of MODEL 19 1 H MET 3 HT1 MET 3 14.132 5.796 -2.805 2 HA MET 3 HA MET 3 15.206 4.634 -4.606 3 HB2 MET 3 HB2 MET 3 13.876 3.371 -2.835 4 HB3 MET 3 HB1 MET 3 12.533 3.345 -3.960 5 HG2 MET 3 HG2 MET 3 13.867 2.015 -5.519 6 HG3 MET 3 HG1 MET 3 15.218 2.054 -4.390 7 HE1 MET 3 HE1 MET 3 11.640 0.758 -5.126 8 HE2 MET 3 HE2 MET 3 11.325 1.586 -3.597 9 HE3 MET 3 HE3 MET 3 11.247 -0.172 -3.688 10 H THR 4 HN THR 4 14.703 3.375 -6.761 11 HA THR 4 HA THR 4 13.755 5.082 -8.690 12 HB THR 4 HB THR 4 13.418 2.910 -10.021 13 HG1 THR 4 HG1 THR 4 15.089 1.630 -8.207 14 HG21 THR 4 HG21 THR 4 15.385 4.326 -10.325 15 HG22 THR 4 HG22 THR 4 15.887 2.638 -10.315 16 HG23 THR 4 HG23 THR 4 16.134 3.643 -8.888 17 H SER 5 HN SER 5 11.874 5.586 -9.483 18 HA SER 5 HA SER 5 9.490 5.099 -8.169 19 HB2 SER 5 HB2 SER 5 9.847 7.070 -9.606 20 HB3 SER 5 HB1 SER 5 9.843 6.041 -11.034 21 HG SER 5 HG SER 5 7.714 5.652 -10.771 22 HA PRO 6 HA PRO 6 8.381 1.800 -11.740 23 HB2 PRO 6 HB2 PRO 6 10.719 0.315 -12.227 24 HB3 PRO 6 HB1 PRO 6 9.930 1.413 -13.367 25 HG2 PRO 6 HG2 PRO 6 12.230 1.894 -11.535 26 HG3 PRO 6 HG1 PRO 6 11.969 2.475 -13.188 27 HD2 PRO 6 HD2 PRO 6 11.612 4.114 -11.132 28 HD3 PRO 6 HD1 PRO 6 10.462 4.124 -12.490 29 H GLN 7 HN GLN 7 11.228 1.019 -9.696 30 HA GLN 7 HA GLN 7 10.089 -1.431 -8.930 31 HB2 GLN 7 HB2 GLN 7 12.561 -0.018 -8.045 32 HB3 GLN 7 HB1 GLN 7 11.980 -1.370 -7.086 33 HG2 GLN 7 HG2 GLN 7 13.595 -2.216 -8.617 34 HG3 GLN 7 HG1 GLN 7 12.015 -2.768 -9.151 35 HE21 GLN 7 HE21 GLN 7 13.509 0.405 -9.642 36 HE22 GLN 7 HE22 GLN 7 13.586 0.274 -11.366 37 H LEU 8 HN LEU 8 10.097 1.692 -7.518 38 HA LEU 8 HA LEU 8 9.244 1.325 -4.891 39 HB2 LEU 8 HB2 LEU 8 9.926 3.415 -6.212 40 HB3 LEU 8 HB1 LEU 8 8.325 3.429 -6.862 41 HG LEU 8 HG LEU 8 9.139 3.949 -4.056 42 HD11 LEU 8 HD11 LEU 8 8.062 5.679 -6.272 43 HD12 LEU 8 HD12 LEU 8 9.690 5.710 -5.598 44 HD13 LEU 8 HD13 LEU 8 8.322 6.242 -4.624 45 HD21 LEU 8 HD21 LEU 8 6.358 4.058 -5.259 46 HD22 LEU 8 HD22 LEU 8 6.808 4.628 -3.645 47 HD23 LEU 8 HD23 LEU 8 6.909 2.909 -4.031 48 H GLU 9 HN GLU 9 7.320 2.055 -7.738 49 HA GLU 9 HA GLU 9 4.812 1.580 -6.531 50 HB2 GLU 9 HB2 GLU 9 5.519 3.134 -8.425 51 HB3 GLU 9 HB1 GLU 9 5.435 1.726 -9.466 52 HG2 GLU 9 HG2 GLU 9 3.067 1.489 -8.934 53 HG3 GLU 9 HG1 GLU 9 3.179 2.905 -7.875 54 H TRP 10 HN TRP 10 7.033 -0.311 -8.470 55 HA TRP 10 HA TRP 10 5.363 -2.433 -9.195 56 HB2 TRP 10 HB2 TRP 10 7.494 -2.245 -10.294 57 HB3 TRP 10 HB1 TRP 10 8.337 -2.301 -8.754 58 HD1 TRP 10 HD1 TRP 10 6.424 -4.624 -11.155 59 HE1 TRP 10 HE1 TRP 10 7.216 -7.023 -10.747 60 HE3 TRP 10 HE3 TRP 10 9.441 -3.790 -7.134 61 HZ2 TRP 10 HZ2 TRP 10 8.922 -8.389 -8.948 62 HZ3 TRP 10 HZ3 TRP 10 10.609 -5.697 -6.124 63 HH2 TRP 10 HH2 TRP 10 10.338 -7.949 -7.016 64 H THR 11 HN THR 11 7.433 -1.987 -6.352 65 HA THR 11 HA THR 11 7.006 -4.530 -5.274 66 HB THR 11 HB THR 11 7.509 -1.961 -3.762 67 HG1 THR 11 HG1 THR 11 9.154 -2.379 -5.321 68 HG21 THR 11 HG21 THR 11 7.984 -4.851 -2.999 69 HG22 THR 11 HG22 THR 11 6.771 -3.780 -2.296 70 HG23 THR 11 HG23 THR 11 8.487 -3.455 -2.048 71 H LEU 12 HN LEU 12 5.241 -1.554 -4.914 72 HA LEU 12 HA LEU 12 3.476 -2.371 -2.968 73 HB2 LEU 12 HB2 LEU 12 3.275 -0.405 -5.171 74 HB3 LEU 12 HB1 LEU 12 2.007 -0.544 -3.951 75 HG LEU 12 HG LEU 12 4.888 0.245 -3.500 76 HD11 LEU 12 HD11 LEU 12 2.323 1.820 -3.284 77 HD12 LEU 12 HD12 LEU 12 3.527 1.986 -4.558 78 HD13 LEU 12 HD13 LEU 12 3.937 2.416 -2.898 79 HD21 LEU 12 HD21 LEU 12 4.046 -1.052 -1.622 80 HD22 LEU 12 HD22 LEU 12 2.599 -0.048 -1.562 81 HD23 LEU 12 HD23 LEU 12 4.175 0.649 -1.188 82 H GLN 13 HN GLN 13 3.142 -2.298 -6.530 83 HA GLN 13 HA GLN 13 0.552 -3.370 -6.599 84 HB2 GLN 13 HB2 GLN 13 0.856 -3.717 -8.999 85 HB3 GLN 13 HB1 GLN 13 1.584 -2.189 -8.527 86 HG2 GLN 13 HG2 GLN 13 3.756 -3.140 -8.571 87 HG3 GLN 13 HG1 GLN 13 3.103 -4.716 -8.966 88 HE21 GLN 13 HE21 GLN 13 1.137 -3.799 -10.769 89 HE22 GLN 13 HE22 GLN 13 1.933 -3.249 -12.198 90 H THR 14 HN THR 14 3.697 -4.944 -6.721 91 HA THR 14 HA THR 14 2.873 -7.510 -7.374 92 HB THR 14 HB THR 14 5.230 -6.672 -5.659 93 HG1 THR 14 HG1 THR 14 5.391 -5.656 -7.627 94 HG21 THR 14 HG21 THR 14 4.785 -9.133 -7.341 95 HG22 THR 14 HG22 THR 14 4.834 -9.101 -5.571 96 HG23 THR 14 HG23 THR 14 6.284 -8.710 -6.518 97 H LEU 15 HN LEU 15 3.017 -5.915 -4.243 98 HA LEU 15 HA LEU 15 2.402 -8.223 -2.664 99 HB2 LEU 15 HB2 LEU 15 1.942 -5.314 -2.068 100 HB3 LEU 15 HB1 LEU 15 1.945 -6.607 -0.896 101 HG LEU 15 HG LEU 15 4.379 -5.846 -2.509 102 HD11 LEU 15 HD11 LEU 15 5.188 -4.739 -0.513 103 HD12 LEU 15 HD12 LEU 15 3.663 -5.070 0.314 104 HD13 LEU 15 HD13 LEU 15 3.696 -3.983 -1.076 105 HD21 LEU 15 HD21 LEU 15 5.566 -7.149 -0.828 106 HD22 LEU 15 HD22 LEU 15 4.365 -8.142 -1.646 107 HD23 LEU 15 HD23 LEU 15 4.054 -7.530 -0.022 108 H LEU 16 HN LEU 16 0.546 -5.546 -3.993 109 HA LEU 16 HA LEU 16 -1.903 -6.437 -2.829 110 HB2 LEU 16 HB2 LEU 16 -1.438 -4.302 -4.908 111 HB3 LEU 16 HB1 LEU 16 -2.913 -4.593 -3.998 112 HG LEU 16 HG LEU 16 -0.303 -3.785 -2.704 113 HD11 LEU 16 HD11 LEU 16 -2.693 -2.091 -3.364 114 HD12 LEU 16 HD12 LEU 16 -1.135 -2.030 -4.180 115 HD13 LEU 16 HD13 LEU 16 -1.255 -1.572 -2.481 116 HD21 LEU 16 HD21 LEU 16 -1.849 -4.986 -1.253 117 HD22 LEU 16 HD22 LEU 16 -3.130 -3.844 -1.673 118 HD23 LEU 16 HD23 LEU 16 -1.710 -3.290 -0.785 119 H GLU 17 HN GLU 17 -0.246 -7.281 -5.669 120 HA GLU 17 HA GLU 17 -2.652 -8.261 -6.936 121 HB2 GLU 17 HB2 GLU 17 0.262 -8.575 -7.728 122 HB3 GLU 17 HB1 GLU 17 -1.078 -9.230 -8.655 123 HG2 GLU 17 HG2 GLU 17 -1.962 -6.903 -8.925 124 HG3 GLU 17 HG1 GLU 17 -0.526 -6.319 -8.110 125 H GLN 18 HN GLN 18 -0.817 -9.200 -4.450 126 HA GLN 18 HA GLN 18 -1.334 -12.072 -4.818 127 HB2 GLN 18 HB2 GLN 18 0.363 -10.580 -2.815 128 HB3 GLN 18 HB1 GLN 18 0.118 -12.332 -2.781 129 HG2 GLN 18 HG2 GLN 18 1.176 -12.509 -4.953 130 HG3 GLN 18 HG1 GLN 18 1.356 -10.760 -5.021 131 HE21 GLN 18 HE21 GLN 18 3.495 -10.830 -5.180 132 HE22 GLN 18 HE22 GLN 18 4.576 -11.288 -3.911 133 H LEU 19 HN LEU 19 -1.591 -9.513 -2.389 134 HA LEU 19 HA LEU 19 -3.751 -10.950 -1.063 135 HB2 LEU 19 HB2 LEU 19 -3.426 -9.455 0.740 136 HB3 LEU 19 HB1 LEU 19 -1.814 -9.655 0.086 137 HG LEU 19 HG LEU 19 -2.651 -7.489 -1.278 138 HD11 LEU 19 HD11 LEU 19 -4.710 -7.277 -0.267 139 HD12 LEU 19 HD12 LEU 19 -3.712 -5.906 0.234 140 HD13 LEU 19 HD13 LEU 19 -4.023 -7.239 1.361 141 HD21 LEU 19 HD21 LEU 19 -1.396 -6.103 0.276 142 HD22 LEU 19 HD22 LEU 19 -0.562 -7.546 -0.263 143 HD23 LEU 19 HD23 LEU 19 -1.250 -7.483 1.387 144 H ASN 20 HN ASN 20 -5.806 -10.537 -1.759 145 HA ASN 20 HA ASN 20 -6.631 -7.921 -2.281 146 HB2 ASN 20 HB2 ASN 20 -7.201 -8.050 -4.740 147 HB3 ASN 20 HB1 ASN 20 -5.500 -8.038 -4.350 148 HD21 ASN 20 HD21 ASN 20 -4.334 -9.857 -4.474 149 HD22 ASN 20 HD22 ASN 20 -4.725 -11.169 -5.553 150 H GLU 21 HN GLU 21 -7.495 -11.214 -3.259 151 HA GLU 21 HA GLU 21 -10.037 -11.234 -3.900 152 HB2 GLU 21 HB2 GLU 21 -8.436 -13.179 -3.261 153 HB3 GLU 21 HB1 GLU 21 -9.306 -13.142 -1.735 154 HG2 GLU 21 HG2 GLU 21 -10.380 -14.758 -3.108 155 HG3 GLU 21 HG1 GLU 21 -11.404 -13.312 -3.024 156 H ASP 22 HN ASP 22 -9.585 -11.814 -0.385 157 HA ASP 22 HA ASP 22 -11.699 -9.812 -0.006 158 HB2 ASP 22 HB2 ASP 22 -11.182 -12.304 1.600 159 HB3 ASP 22 HB1 ASP 22 -12.254 -11.026 2.150 160 H GLU 23 HN GLU 23 -8.792 -10.070 -0.007 161 HA GLU 23 HA GLU 23 -7.770 -9.559 2.669 162 HB2 GLU 23 HB2 GLU 23 -6.340 -9.237 0.063 163 HB3 GLU 23 HB1 GLU 23 -5.657 -9.610 1.637 164 HG2 GLU 23 HG2 GLU 23 -7.548 -11.372 0.214 165 HG3 GLU 23 HG1 GLU 23 -5.794 -11.502 -0.034 166 H LEU 24 HN LEU 24 -8.335 -7.842 -0.362 167 HA LEU 24 HA LEU 24 -6.885 -5.509 0.341 168 HB2 LEU 24 HB2 LEU 24 -7.805 -6.461 -1.987 169 HB3 LEU 24 HB1 LEU 24 -9.140 -5.420 -1.575 170 HG LEU 24 HG LEU 24 -7.577 -3.508 -1.420 171 HD11 LEU 24 HD11 LEU 24 -5.354 -3.772 -2.450 172 HD12 LEU 24 HD12 LEU 24 -5.608 -5.514 -2.521 173 HD13 LEU 24 HD13 LEU 24 -5.515 -4.698 -0.961 174 HD21 LEU 24 HD21 LEU 24 -8.882 -3.926 -3.428 175 HD22 LEU 24 HD22 LEU 24 -7.616 -4.998 -4.031 176 HD23 LEU 24 HD23 LEU 24 -7.291 -3.276 -3.822 177 H LYS 25 HN LYS 25 -10.090 -6.621 0.684 178 HA LYS 25 HA LYS 25 -11.507 -4.310 1.339 179 HB2 LYS 25 HB2 LYS 25 -11.846 -7.124 2.375 180 HB3 LYS 25 HB1 LYS 25 -13.081 -5.868 2.360 181 HG2 LYS 25 HG2 LYS 25 -13.168 -5.859 -0.015 182 HG3 LYS 25 HG1 LYS 25 -11.745 -6.892 -0.130 183 HD2 LYS 25 HD2 LYS 25 -12.942 -8.697 0.851 184 HD3 LYS 25 HD1 LYS 25 -14.383 -7.690 1.082 185 HE2 LYS 25 HE2 LYS 25 -14.435 -7.338 -1.396 186 HE3 LYS 25 HE1 LYS 25 -13.101 -8.478 -1.539 187 HZ1 LYS 25 HZ1 LYS 25 -15.166 -9.543 -1.981 188 HZ2 LYS 25 HZ2 LYS 25 -15.818 -9.055 -0.519 189 HZ3 LYS 25 HZ3 LYS 25 -14.543 -10.180 -0.541 190 H SER 26 HN SER 26 -9.761 -6.666 3.440 191 HA SER 26 HA SER 26 -10.111 -5.454 5.848 192 HB2 SER 26 HB2 SER 26 -7.943 -7.079 4.615 193 HB3 SER 26 HB1 SER 26 -8.151 -6.833 6.328 194 HG SER 26 HG SER 26 -10.025 -8.019 6.256 195 H PHE 27 HN PHE 27 -7.468 -5.369 3.520 196 HA PHE 27 HA PHE 27 -5.643 -3.758 4.775 197 HB2 PHE 27 HB2 PHE 27 -5.285 -5.120 2.786 198 HB3 PHE 27 HB1 PHE 27 -6.277 -4.026 1.850 199 HD1 PHE 27 HD1 PHE 27 -5.336 -1.683 1.399 200 HD2 PHE 27 HD2 PHE 27 -3.009 -4.779 3.163 201 HE1 PHE 27 HE1 PHE 27 -3.276 -0.459 0.830 202 HE2 PHE 27 HE2 PHE 27 -0.950 -3.555 2.611 203 HZ PHE 27 HZ PHE 27 -1.082 -1.392 1.442 204 H LYS 28 HN LYS 28 -8.239 -2.712 2.525 205 HA LYS 28 HA LYS 28 -7.657 0.052 2.541 206 HB2 LYS 28 HB2 LYS 28 -10.394 -1.204 2.210 207 HB3 LYS 28 HB1 LYS 28 -9.938 0.414 1.714 208 HG2 LYS 28 HG2 LYS 28 -8.421 -0.530 0.042 209 HG3 LYS 28 HG1 LYS 28 -8.877 -2.157 0.553 210 HD2 LYS 28 HD2 LYS 28 -11.276 -1.492 0.009 211 HD3 LYS 28 HD1 LYS 28 -10.596 -0.077 -0.796 212 HE2 LYS 28 HE2 LYS 28 -9.210 -1.631 -2.173 213 HE3 LYS 28 HE1 LYS 28 -10.082 -2.976 -1.449 214 HZ1 LYS 28 HZ1 LYS 28 -11.085 -0.880 -3.253 215 HZ2 LYS 28 HZ2 LYS 28 -12.165 -1.762 -2.344 216 HZ3 LYS 28 HZ3 LYS 28 -11.179 -2.548 -3.482 217 H SER 29 HN SER 29 -9.585 -1.941 4.668 218 HA SER 29 HA SER 29 -10.896 0.206 6.006 219 HB2 SER 29 HB2 SER 29 -11.639 -2.286 5.784 220 HB3 SER 29 HB1 SER 29 -10.496 -2.575 7.066 221 HG SER 29 HG SER 29 -12.187 -2.181 8.236 222 H LEU 30 HN LEU 30 -8.117 -1.824 6.629 223 HA LEU 30 HA LEU 30 -7.606 -0.984 9.274 224 HB2 LEU 30 HB2 LEU 30 -5.889 -2.263 7.193 225 HB3 LEU 30 HB1 LEU 30 -5.372 -2.050 8.857 226 HG LEU 30 HG LEU 30 -7.842 -3.597 8.063 227 HD11 LEU 30 HD11 LEU 30 -5.072 -4.613 8.622 228 HD12 LEU 30 HD12 LEU 30 -5.935 -4.623 7.073 229 HD13 LEU 30 HD13 LEU 30 -6.533 -5.595 8.412 230 HD21 LEU 30 HD21 LEU 30 -7.816 -2.793 10.360 231 HD22 LEU 30 HD22 LEU 30 -6.230 -3.529 10.606 232 HD23 LEU 30 HD23 LEU 30 -7.637 -4.546 10.297 233 H LEU 31 HN LEU 31 -6.539 0.233 6.157 234 HA LEU 31 HA LEU 31 -4.679 2.023 7.442 235 HB2 LEU 31 HB2 LEU 31 -3.995 2.682 5.254 236 HB3 LEU 31 HB1 LEU 31 -4.378 0.984 5.145 237 HG LEU 31 HG LEU 31 -6.686 1.882 4.245 238 HD11 LEU 31 HD11 LEU 31 -6.395 3.878 2.891 239 HD12 LEU 31 HD12 LEU 31 -4.756 4.063 3.533 240 HD13 LEU 31 HD13 LEU 31 -6.142 4.219 4.610 241 HD21 LEU 31 HD21 LEU 31 -5.786 1.673 1.984 242 HD22 LEU 31 HD22 LEU 31 -5.159 0.409 3.040 243 HD23 LEU 31 HD23 LEU 31 -4.146 1.789 2.619 244 H TRP 32 HN TRP 32 -7.963 1.973 6.866 245 HA TRP 32 HA TRP 32 -8.187 4.840 6.902 246 HB2 TRP 32 HB2 TRP 32 -9.740 2.866 5.838 247 HB3 TRP 32 HB1 TRP 32 -10.631 3.278 7.302 248 HD1 TRP 32 HD1 TRP 32 -12.129 5.393 7.164 249 HE1 TRP 32 HE1 TRP 32 -12.431 7.262 5.430 250 HE3 TRP 32 HE3 TRP 32 -8.249 4.229 4.221 251 HZ2 TRP 32 HZ2 TRP 32 -11.119 8.136 3.049 252 HZ3 TRP 32 HZ3 TRP 32 -7.777 5.617 2.184 253 HH2 TRP 32 HH2 TRP 32 -9.199 7.534 1.634 254 H ALA 33 HN ALA 33 -7.801 2.302 9.015 255 HA ALA 33 HA ALA 33 -9.532 3.176 11.150 256 HB1 ALA 33 HB1 ALA 33 -7.438 1.003 11.139 257 HB2 ALA 33 HB2 ALA 33 -9.146 0.783 10.769 258 HB3 ALA 33 HB3 ALA 33 -8.651 1.272 12.389 259 H PHE 34 HN PHE 34 -6.145 3.471 10.272 260 HA PHE 34 HA PHE 34 -5.547 4.561 12.863 261 HB2 PHE 34 HB2 PHE 34 -3.232 4.504 12.199 262 HB3 PHE 34 HB1 PHE 34 -3.938 3.113 11.417 263 HD1 PHE 34 HD1 PHE 34 -2.752 6.556 10.841 264 HD2 PHE 34 HD2 PHE 34 -3.866 2.837 9.128 265 HE1 PHE 34 HE1 PHE 34 -1.823 7.283 8.699 266 HE2 PHE 34 HE2 PHE 34 -2.943 3.566 6.962 267 HZ PHE 34 HZ PHE 34 -1.940 5.800 6.755 268 HA PRO 35 HA PRO 35 -6.612 8.694 11.742 269 HB2 PRO 35 HB2 PRO 35 -4.756 10.172 13.112 270 HB3 PRO 35 HB1 PRO 35 -6.150 9.408 13.881 271 HG2 PRO 35 HG2 PRO 35 -3.310 8.483 13.760 272 HG3 PRO 35 HG1 PRO 35 -4.452 8.413 15.113 273 HD2 PRO 35 HD2 PRO 35 -3.870 6.267 13.560 274 HD3 PRO 35 HD1 PRO 35 -5.460 6.502 14.317 275 H LEU 36 HN LEU 36 -6.300 9.432 9.768 276 HA LEU 36 HA LEU 36 -3.809 9.188 8.415 277 HB2 LEU 36 HB2 LEU 36 -6.273 10.676 7.588 278 HB3 LEU 36 HB1 LEU 36 -4.932 10.267 6.553 279 HG LEU 36 HG LEU 36 -6.875 8.309 7.786 280 HD11 LEU 36 HD11 LEU 36 -7.753 9.576 5.886 281 HD12 LEU 36 HD12 LEU 36 -7.510 7.865 5.499 282 HD13 LEU 36 HD13 LEU 36 -6.354 9.069 4.932 283 HD21 LEU 36 HD21 LEU 36 -4.480 7.807 6.025 284 HD22 LEU 36 HD22 LEU 36 -5.683 6.605 6.495 285 HD23 LEU 36 HD23 LEU 36 -4.653 7.338 7.719 286 H GLU 37 HN GLU 37 -2.609 10.856 7.520 287 HA GLU 37 HA GLU 37 -2.476 13.124 9.324 288 HB2 GLU 37 HB2 GLU 37 -0.422 12.111 7.375 289 HB3 GLU 37 HB1 GLU 37 -0.178 13.325 8.632 290 HG2 GLU 37 HG2 GLU 37 -0.700 11.675 10.329 291 HG3 GLU 37 HG1 GLU 37 -0.924 10.461 9.074 292 H ASP 38 HN ASP 38 -1.148 14.962 7.940 293 HA ASP 38 HA ASP 38 -3.089 16.574 6.952 294 HB2 ASP 38 HB2 ASP 38 -0.875 17.340 7.619 295 HB3 ASP 38 HB1 ASP 38 -0.186 16.659 6.151 296 H VAL 39 HN VAL 39 -0.817 14.940 4.722 297 HA VAL 39 HA VAL 39 -2.269 15.816 2.413 298 HB VAL 39 HB VAL 39 -0.210 13.597 2.534 299 HG11 VAL 39 HG11 VAL 39 -1.441 13.668 0.439 300 HG12 VAL 39 HG12 VAL 39 0.230 14.176 0.190 301 HG13 VAL 39 HG13 VAL 39 -1.059 15.381 0.258 302 HG21 VAL 39 HG21 VAL 39 0.726 15.611 3.543 303 HG22 VAL 39 HG22 VAL 39 0.235 16.547 2.129 304 HG23 VAL 39 HG23 VAL 39 1.469 15.300 1.972 305 H LEU 40 HN LEU 40 -2.308 13.024 4.422 306 HA LEU 40 HA LEU 40 -3.640 11.313 2.554 307 HB2 LEU 40 HB2 LEU 40 -3.002 11.053 5.462 308 HB3 LEU 40 HB1 LEU 40 -4.051 9.892 4.671 309 HG LEU 40 HG LEU 40 -1.854 8.983 4.841 310 HD11 LEU 40 HD11 LEU 40 -2.384 9.805 2.004 311 HD12 LEU 40 HD12 LEU 40 -3.108 8.445 2.858 312 HD13 LEU 40 HD13 LEU 40 -1.377 8.463 2.539 313 HD21 LEU 40 HD21 LEU 40 -0.535 11.035 5.035 314 HD22 LEU 40 HD22 LEU 40 -0.856 11.413 3.343 315 HD23 LEU 40 HD23 LEU 40 0.110 9.998 3.761 316 H GLN 41 HN GLN 41 -4.672 13.728 4.652 317 HA GLN 41 HA GLN 41 -7.309 12.708 4.984 318 HB2 GLN 41 HB2 GLN 41 -6.105 15.400 5.595 319 HB3 GLN 41 HB1 GLN 41 -7.805 15.023 5.862 320 HG2 GLN 41 HG2 GLN 41 -7.273 13.355 7.462 321 HG3 GLN 41 HG1 GLN 41 -5.559 13.439 7.063 322 HE21 GLN 41 HE21 GLN 41 -4.376 15.131 7.791 323 HE22 GLN 41 HE22 GLN 41 -4.869 16.158 9.084 324 H LYS 42 HN LYS 42 -7.739 12.212 3.001 325 HA LYS 42 HA LYS 42 -9.718 13.553 1.763 326 HB2 LYS 42 HB2 LYS 42 -8.035 15.139 0.796 327 HB3 LYS 42 HB1 LYS 42 -7.160 13.778 0.100 328 HG2 LYS 42 HG2 LYS 42 -9.163 13.230 -1.250 329 HG3 LYS 42 HG1 LYS 42 -9.961 14.658 -0.601 330 HD2 LYS 42 HD2 LYS 42 -8.271 16.084 -1.616 331 HD3 LYS 42 HD1 LYS 42 -7.404 14.663 -2.207 332 HE2 LYS 42 HE2 LYS 42 -9.372 14.028 -3.539 333 HE3 LYS 42 HE1 LYS 42 -10.211 15.473 -2.977 334 HZ1 LYS 42 HZ1 LYS 42 -7.699 15.488 -4.570 335 HZ2 LYS 42 HZ2 LYS 42 -8.617 16.837 -4.125 336 HZ3 LYS 42 HZ3 LYS 42 -9.238 15.724 -5.188 337 H THR 43 HN THR 43 -6.946 11.921 0.291 338 HA THR 43 HA THR 43 -6.897 10.139 -1.118 339 HB THR 43 HB THR 43 -7.552 8.833 1.538 340 HG1 THR 43 HG1 THR 43 -5.876 10.006 2.079 341 HG21 THR 43 HG21 THR 43 -5.817 7.916 -0.778 342 HG22 THR 43 HG22 THR 43 -7.395 7.244 -0.368 343 HG23 THR 43 HG23 THR 43 -6.041 7.055 0.745 344 HA PRO 44 HA PRO 44 -11.228 9.831 -2.397 345 HB2 PRO 44 HB2 PRO 44 -10.702 8.752 -4.871 346 HB3 PRO 44 HB1 PRO 44 -10.604 10.478 -4.507 347 HG2 PRO 44 HG2 PRO 44 -8.389 8.442 -4.511 348 HG3 PRO 44 HG1 PRO 44 -8.378 10.029 -5.283 349 HD2 PRO 44 HD2 PRO 44 -7.177 9.697 -3.017 350 HD3 PRO 44 HD1 PRO 44 -8.194 11.139 -3.226 351 H TRP 45 HN TRP 45 -12.138 8.269 -1.128 352 HA TRP 45 HA TRP 45 -11.352 5.561 -1.079 353 HB2 TRP 45 HB2 TRP 45 -12.526 6.558 0.823 354 HB3 TRP 45 HB1 TRP 45 -13.936 6.877 -0.174 355 HD1 TRP 45 HD1 TRP 45 -15.417 4.718 -0.889 356 HE1 TRP 45 HE1 TRP 45 -15.779 2.454 0.291 357 HE3 TRP 45 HE3 TRP 45 -11.377 4.771 2.232 358 HZ2 TRP 45 HZ2 TRP 45 -14.502 0.892 2.258 359 HZ3 TRP 45 HZ3 TRP 45 -11.012 2.849 3.722 360 HH2 TRP 45 HH2 TRP 45 -12.542 0.952 3.736 361 H SER 46 HN SER 46 -13.704 7.324 -2.994 362 HA SER 46 HA SER 46 -15.080 5.155 -4.083 363 HB2 SER 46 HB2 SER 46 -14.303 7.682 -5.540 364 HB3 SER 46 HB1 SER 46 -15.745 6.681 -5.784 365 HG SER 46 HG SER 46 -15.357 8.715 -4.109 366 H GLU 47 HN GLU 47 -12.037 6.672 -4.987 367 HA GLU 47 HA GLU 47 -11.469 5.005 -7.185 368 HB2 GLU 47 HB2 GLU 47 -9.996 6.970 -5.557 369 HB3 GLU 47 HB1 GLU 47 -9.028 5.746 -6.356 370 HG2 GLU 47 HG2 GLU 47 -11.051 7.421 -7.789 371 HG3 GLU 47 HG1 GLU 47 -9.348 7.864 -7.647 372 H VAL 48 HN VAL 48 -10.576 4.895 -3.751 373 HA VAL 48 HA VAL 48 -8.898 2.667 -4.033 374 HB VAL 48 HB VAL 48 -8.723 2.466 -1.724 375 HG11 VAL 48 HG11 VAL 48 -9.433 5.295 -2.152 376 HG12 VAL 48 HG12 VAL 48 -7.847 4.522 -2.290 377 HG13 VAL 48 HG13 VAL 48 -8.639 4.663 -0.712 378 HG21 VAL 48 HG21 VAL 48 -10.365 3.268 -0.040 379 HG22 VAL 48 HG22 VAL 48 -10.943 1.956 -1.063 380 HG23 VAL 48 HG23 VAL 48 -11.490 3.598 -1.366 381 H GLU 49 HN GLU 49 -12.369 2.917 -3.683 382 HA GLU 49 HA GLU 49 -12.753 0.199 -3.192 383 HB2 GLU 49 HB2 GLU 49 -14.388 2.494 -3.498 384 HB3 GLU 49 HB1 GLU 49 -15.088 1.054 -4.243 385 HG2 GLU 49 HG2 GLU 49 -13.774 1.175 -1.726 386 HG3 GLU 49 HG1 GLU 49 -15.561 1.341 -1.757 387 H GLU 50 HN GLU 50 -12.895 2.157 -6.072 388 HA GLU 50 HA GLU 50 -13.776 -0.040 -7.383 389 HB2 GLU 50 HB2 GLU 50 -12.736 2.556 -8.502 390 HB3 GLU 50 HB1 GLU 50 -13.274 1.268 -9.562 391 HG2 GLU 50 HG2 GLU 50 -15.505 1.402 -8.573 392 HG3 GLU 50 HG1 GLU 50 -14.947 2.693 -7.506 393 H ALA 51 HN ALA 51 -10.814 0.933 -6.360 394 HA ALA 51 HA ALA 51 -9.103 -0.275 -8.355 395 HB1 ALA 51 HB1 ALA 51 -8.506 1.001 -5.724 396 HB2 ALA 51 HB2 ALA 51 -8.409 1.775 -7.306 397 HB3 ALA 51 HB3 ALA 51 -7.315 0.451 -6.890 398 H ASP 52 HN ASP 52 -8.074 -2.044 -8.232 399 HA ASP 52 HA ASP 52 -8.039 -3.512 -5.748 400 HB2 ASP 52 HB2 ASP 52 -8.361 -5.608 -6.955 401 HB3 ASP 52 HB1 ASP 52 -9.758 -4.572 -7.180 402 H GLY 53 HN GLY 53 -6.186 -4.644 -5.444 403 HA2 GLY 53 HA2 GLY 53 -3.927 -5.039 -5.511 404 HA3 GLY 53 HA1 GLY 53 -4.285 -5.412 -7.185 405 H LYS 54 HN LYS 54 -3.471 -4.258 -8.716 406 HA LYS 54 HA LYS 54 -1.287 -2.552 -8.330 407 HB2 LYS 54 HB2 LYS 54 -1.825 -3.883 -10.405 408 HB3 LYS 54 HB1 LYS 54 -3.005 -2.645 -10.810 409 HG2 LYS 54 HG2 LYS 54 -0.560 -1.335 -10.231 410 HG3 LYS 54 HG1 LYS 54 -0.204 -2.677 -11.300 411 HD2 LYS 54 HD2 LYS 54 -0.573 -0.815 -12.695 412 HD3 LYS 54 HD1 LYS 54 -2.039 -1.782 -12.814 413 HE2 LYS 54 HE2 LYS 54 -3.223 -0.299 -11.384 414 HE3 LYS 54 HE1 LYS 54 -1.755 0.559 -10.935 415 HZ1 LYS 54 HZ1 LYS 54 -1.576 1.239 -13.286 416 HZ2 LYS 54 HZ2 LYS 54 -2.893 1.890 -12.513 417 HZ3 LYS 54 HZ3 LYS 54 -3.101 0.589 -13.594 418 H LYS 55 HN LYS 55 -4.662 -1.887 -9.058 419 HA LYS 55 HA LYS 55 -4.235 0.803 -9.611 420 HB2 LYS 55 HB2 LYS 55 -6.562 -0.916 -9.358 421 HB3 LYS 55 HB1 LYS 55 -6.877 0.729 -8.842 422 HG2 LYS 55 HG2 LYS 55 -5.683 -0.020 -11.478 423 HG3 LYS 55 HG1 LYS 55 -7.407 0.261 -11.214 424 HD2 LYS 55 HD2 LYS 55 -5.154 2.269 -10.864 425 HD3 LYS 55 HD1 LYS 55 -6.348 2.253 -12.154 426 HE2 LYS 55 HE2 LYS 55 -8.131 2.585 -10.405 427 HE3 LYS 55 HE1 LYS 55 -6.850 2.764 -9.212 428 HZ1 LYS 55 HZ1 LYS 55 -7.332 4.483 -11.562 429 HZ2 LYS 55 HZ2 LYS 55 -5.995 4.644 -10.596 430 HZ3 LYS 55 HZ3 LYS 55 -7.554 4.949 -9.956 431 H LEU 56 HN LEU 56 -4.814 -0.916 -6.650 432 HA LEU 56 HA LEU 56 -5.516 1.370 -5.153 433 HB2 LEU 56 HB2 LEU 56 -6.042 -0.958 -4.445 434 HB3 LEU 56 HB1 LEU 56 -4.338 -1.219 -4.154 435 HG LEU 56 HG LEU 56 -4.379 0.573 -2.434 436 HD11 LEU 56 HD11 LEU 56 -7.350 0.544 -2.909 437 HD12 LEU 56 HD12 LEU 56 -6.239 1.883 -3.215 438 HD13 LEU 56 HD13 LEU 56 -6.530 1.337 -1.565 439 HD21 LEU 56 HD21 LEU 56 -4.592 -1.749 -1.781 440 HD22 LEU 56 HD22 LEU 56 -6.336 -1.668 -2.021 441 HD23 LEU 56 HD23 LEU 56 -5.575 -0.718 -0.741 442 H ALA 57 HN ALA 57 -2.519 -0.324 -5.870 443 HA ALA 57 HA ALA 57 -0.727 1.081 -4.211 444 HB1 ALA 57 HB1 ALA 57 -0.082 -0.938 -5.468 445 HB2 ALA 57 HB2 ALA 57 1.016 0.400 -5.806 446 HB3 ALA 57 HB3 ALA 57 -0.229 -0.034 -6.973 447 H GLU 58 HN GLU 58 -2.053 1.815 -7.318 448 HA GLU 58 HA GLU 58 -0.496 4.061 -8.029 449 HB2 GLU 58 HB2 GLU 58 -1.914 2.697 -9.550 450 HB3 GLU 58 HB1 GLU 58 -3.338 3.339 -8.763 451 HG2 GLU 58 HG2 GLU 58 -2.669 5.601 -9.546 452 HG3 GLU 58 HG1 GLU 58 -1.360 4.838 -10.451 453 H ILE 59 HN ILE 59 -3.300 3.652 -6.017 454 HA ILE 59 HA ILE 59 -3.837 6.468 -5.780 455 HB ILE 59 HB ILE 59 -5.000 4.072 -4.317 456 HG12 ILE 59 HG12 ILE 59 -6.317 5.737 -6.417 457 HG13 ILE 59 HG11 ILE 59 -5.248 4.411 -6.878 458 HG21 ILE 59 HG21 ILE 59 -6.816 5.630 -3.682 459 HG22 ILE 59 HG22 ILE 59 -5.937 6.959 -4.432 460 HG23 ILE 59 HG23 ILE 59 -5.270 6.154 -3.014 461 HD11 ILE 59 HD11 ILE 59 -7.584 3.817 -6.894 462 HD12 ILE 59 HD12 ILE 59 -7.700 4.181 -5.159 463 HD13 ILE 59 HD13 ILE 59 -6.644 2.880 -5.754 464 H LEU 60 HN LEU 60 -2.319 3.907 -3.891 465 HA LEU 60 HA LEU 60 -1.776 5.439 -1.595 466 HB2 LEU 60 HB2 LEU 60 -0.514 2.990 -2.755 467 HB3 LEU 60 HB1 LEU 60 0.380 3.861 -1.533 468 HG LEU 60 HG LEU 60 -0.766 2.002 -0.538 469 HD11 LEU 60 HD11 LEU 60 -2.013 3.095 1.223 470 HD12 LEU 60 HD12 LEU 60 -2.099 4.568 0.265 471 HD13 LEU 60 HD13 LEU 60 -0.536 3.972 0.827 472 HD21 LEU 60 HD21 LEU 60 -3.329 3.207 -1.568 473 HD22 LEU 60 HD22 LEU 60 -3.207 1.824 -0.474 474 HD23 LEU 60 HD23 LEU 60 -2.582 1.708 -2.119 475 H VAL 61 HN VAL 61 0.040 5.093 -4.631 476 HA VAL 61 HA VAL 61 2.086 6.836 -3.600 477 HB VAL 61 HB VAL 61 2.470 4.896 -5.209 478 HG11 VAL 61 HG11 VAL 61 2.305 5.334 -7.610 479 HG12 VAL 61 HG12 VAL 61 1.429 6.826 -7.246 480 HG13 VAL 61 HG13 VAL 61 0.741 5.270 -6.791 481 HG21 VAL 61 HG21 VAL 61 3.652 7.565 -5.948 482 HG22 VAL 61 HG22 VAL 61 4.311 5.989 -6.401 483 HG23 VAL 61 HG23 VAL 61 4.244 6.464 -4.705 484 H ASN 62 HN ASN 62 -0.907 7.395 -4.643 485 HA ASN 62 HA ASN 62 -0.480 9.749 -6.225 486 HB2 ASN 62 HB2 ASN 62 -2.537 8.388 -6.486 487 HB3 ASN 62 HB1 ASN 62 -3.000 8.715 -4.835 488 HD21 ASN 62 HD21 ASN 62 -4.448 9.142 -7.242 489 HD22 ASN 62 HD22 ASN 62 -4.855 10.812 -7.271 490 H THR 63 HN THR 63 -1.343 8.983 -2.870 491 HA THR 63 HA THR 63 -1.156 11.828 -2.194 492 HB THR 63 HB THR 63 -2.257 11.039 -0.024 493 HG1 THR 63 HG1 THR 63 -3.422 9.018 -0.358 494 HG21 THR 63 HG21 THR 63 -3.512 12.207 -1.785 495 HG22 THR 63 HG22 THR 63 -4.498 10.939 -1.054 496 HG23 THR 63 HG23 THR 63 -3.756 10.681 -2.632 497 H SER 64 HN SER 64 0.270 8.694 -1.470 498 HA SER 64 HA SER 64 1.584 9.801 0.872 499 HB2 SER 64 HB2 SER 64 1.457 6.978 -0.119 500 HB3 SER 64 HB1 SER 64 1.974 7.546 1.472 501 HG SER 64 HG SER 64 -0.601 7.940 0.372 502 H SER 65 HN SER 65 3.724 10.011 1.040 503 HA SER 65 HA SER 65 5.425 9.843 -1.234 504 HB2 SER 65 HB2 SER 65 5.779 11.570 0.485 505 HB3 SER 65 HB1 SER 65 5.982 10.329 1.717 506 HG SER 65 HG SER 65 7.696 11.051 -0.402 507 H GLU 66 HN GLU 66 7.166 8.328 -1.464 508 HA GLU 66 HA GLU 66 6.560 5.666 -0.828 509 HB2 GLU 66 HB2 GLU 66 8.755 5.090 -1.731 510 HB3 GLU 66 HB1 GLU 66 7.945 6.291 -2.726 511 HG2 GLU 66 HG2 GLU 66 9.304 8.036 -1.798 512 HG3 GLU 66 HG1 GLU 66 10.090 6.887 -0.711 513 H ASN 67 HN ASN 67 8.518 8.016 0.805 514 HA ASN 67 HA ASN 67 9.786 6.205 2.604 515 HB2 ASN 67 HB2 ASN 67 10.799 8.371 2.053 516 HB3 ASN 67 HB1 ASN 67 9.426 9.210 2.755 517 HD21 ASN 67 HD21 ASN 67 9.366 9.532 4.945 518 HD22 ASN 67 HD22 ASN 67 10.635 9.078 6.002 519 H TRP 68 HN TRP 68 6.704 7.444 2.419 520 HA TRP 68 HA TRP 68 6.121 7.062 5.253 521 HB2 TRP 68 HB2 TRP 68 5.246 9.037 3.993 522 HB3 TRP 68 HB1 TRP 68 4.369 7.935 2.949 523 HD1 TRP 68 HD1 TRP 68 4.308 9.482 6.411 524 HE1 TRP 68 HE1 TRP 68 1.967 9.194 7.407 525 HE3 TRP 68 HE3 TRP 68 2.375 6.280 2.950 526 HZ2 TRP 68 HZ2 TRP 68 -0.412 7.765 6.792 527 HZ3 TRP 68 HZ3 TRP 68 0.070 5.515 3.208 528 HH2 TRP 68 HH2 TRP 68 -1.291 6.219 5.061 529 H ILE 69 HN ILE 69 5.282 5.911 2.010 530 HA ILE 69 HA ILE 69 3.436 3.948 2.713 531 HB ILE 69 HB ILE 69 5.274 3.828 0.293 532 HG12 ILE 69 HG12 ILE 69 2.527 5.067 0.550 533 HG13 ILE 69 HG11 ILE 69 4.029 5.980 0.469 534 HG21 ILE 69 HG21 ILE 69 2.560 2.620 0.841 535 HG22 ILE 69 HG22 ILE 69 4.088 1.744 0.736 536 HG23 ILE 69 HG23 ILE 69 3.421 2.542 -0.695 537 HD11 ILE 69 HD11 ILE 69 2.911 4.199 -1.690 538 HD12 ILE 69 HD12 ILE 69 4.429 5.093 -1.784 539 HD13 ILE 69 HD13 ILE 69 2.899 5.963 -1.679 540 H ARG 70 HN ARG 70 6.952 3.802 2.554 541 HA ARG 70 HA ARG 70 7.339 1.039 2.762 542 HB2 ARG 70 HB2 ARG 70 9.569 1.536 3.745 543 HB3 ARG 70 HB1 ARG 70 9.237 2.457 2.285 544 HG2 ARG 70 HG2 ARG 70 8.826 4.436 3.555 545 HG3 ARG 70 HG1 ARG 70 8.904 3.538 5.068 546 HD2 ARG 70 HD2 ARG 70 11.210 3.736 3.136 547 HD3 ARG 70 HD1 ARG 70 10.972 4.852 4.483 548 HE ARG 70 HE ARG 70 10.874 2.572 5.759 549 HH11 ARG 70 HH11 ARG 70 13.237 3.537 3.280 550 HH12 ARG 70 HH12 ARG 70 14.490 2.582 3.923 551 HH21 ARG 70 HH21 ARG 70 12.646 1.343 6.666 552 HH22 ARG 70 HH22 ARG 70 14.142 1.288 5.891 553 H ASN 71 HN ASN 71 6.204 3.193 5.159 554 HA ASN 71 HA ASN 71 6.566 1.092 7.172 555 HB2 ASN 71 HB2 ASN 71 7.283 3.355 7.868 556 HB3 ASN 71 HB1 ASN 71 5.669 3.967 7.525 557 HD21 ASN 71 HD21 ASN 71 4.037 3.623 9.024 558 HD22 ASN 71 HD22 ASN 71 4.311 2.916 10.566 559 H ALA 72 HN ALA 72 4.198 3.153 5.638 560 HA ALA 72 HA ALA 72 1.889 2.438 6.919 561 HB1 ALA 72 HB1 ALA 72 2.122 4.258 5.306 562 HB2 ALA 72 HB2 ALA 72 0.701 3.249 5.035 563 HB3 ALA 72 HB3 ALA 72 2.120 3.064 4.006 564 H THR 73 HN THR 73 2.963 1.002 3.796 565 HA THR 73 HA THR 73 0.764 -0.790 3.836 566 HB THR 73 HB THR 73 1.788 -0.111 1.656 567 HG1 THR 73 HG1 THR 73 1.351 -2.753 2.383 568 HG21 THR 73 HG21 THR 73 4.086 -1.899 2.482 569 HG22 THR 73 HG22 THR 73 4.163 -0.149 2.294 570 HG23 THR 73 HG23 THR 73 3.873 -1.176 0.887 571 H VAL 74 HN VAL 74 4.049 -1.007 4.907 572 HA VAL 74 HA VAL 74 4.144 -3.791 5.251 573 HB VAL 74 HB VAL 74 5.717 -1.545 6.559 574 HG11 VAL 74 HG11 VAL 74 5.734 -3.504 8.029 575 HG12 VAL 74 HG12 VAL 74 7.312 -3.251 7.286 576 HG13 VAL 74 HG13 VAL 74 6.242 -4.516 6.676 577 HG21 VAL 74 HG21 VAL 74 7.495 -2.272 5.023 578 HG22 VAL 74 HG22 VAL 74 6.050 -1.787 4.143 579 HG23 VAL 74 HG23 VAL 74 6.417 -3.494 4.359 580 H ASN 75 HN ASN 75 3.382 -1.115 7.482 581 HA ASN 75 HA ASN 75 2.722 -2.610 9.724 582 HB2 ASN 75 HB2 ASN 75 1.888 0.079 8.697 583 HB3 ASN 75 HB1 ASN 75 1.094 -0.604 10.100 584 HD21 ASN 75 HD21 ASN 75 1.852 1.088 11.353 585 HD22 ASN 75 HD22 ASN 75 3.484 1.198 11.891 586 H ILE 76 HN ILE 76 0.591 -1.545 7.061 587 HA ILE 76 HA ILE 76 -1.754 -2.671 8.179 588 HB ILE 76 HB ILE 76 -1.244 -2.360 5.198 589 HG12 ILE 76 HG12 ILE 76 -0.804 -0.224 6.327 590 HG13 ILE 76 HG11 ILE 76 -2.276 -0.128 5.370 591 HG21 ILE 76 HG21 ILE 76 -3.802 -2.410 6.796 592 HG22 ILE 76 HG22 ILE 76 -3.219 -3.682 5.726 593 HG23 ILE 76 HG23 ILE 76 -3.695 -2.120 5.060 594 HD11 ILE 76 HD11 ILE 76 -3.575 -0.385 7.445 595 HD12 ILE 76 HD12 ILE 76 -2.527 1.027 7.453 596 HD13 ILE 76 HD13 ILE 76 -2.062 -0.417 8.360 597 H LEU 77 HN LEU 77 0.597 -4.058 5.915 598 HA LEU 77 HA LEU 77 -0.560 -6.583 5.574 599 HB2 LEU 77 HB2 LEU 77 2.253 -5.561 5.541 600 HB3 LEU 77 HB1 LEU 77 1.966 -7.285 5.468 601 HG LEU 77 HG LEU 77 0.452 -5.685 3.508 602 HD11 LEU 77 HD11 LEU 77 2.684 -4.568 3.467 603 HD12 LEU 77 HD12 LEU 77 2.428 -5.533 2.014 604 HD13 LEU 77 HD13 LEU 77 3.454 -6.147 3.314 605 HD21 LEU 77 HD21 LEU 77 2.113 -8.175 3.355 606 HD22 LEU 77 HD22 LEU 77 1.054 -7.542 2.089 607 HD23 LEU 77 HD23 LEU 77 0.374 -8.091 3.622 608 H GLU 78 HN GLU 78 1.678 -5.414 8.032 609 HA GLU 78 HA GLU 78 1.795 -7.787 9.496 610 HB2 GLU 78 HB2 GLU 78 2.383 -4.945 10.149 611 HB3 GLU 78 HB1 GLU 78 2.639 -6.148 11.374 612 HG2 GLU 78 HG2 GLU 78 4.124 -7.327 9.655 613 HG3 GLU 78 HG1 GLU 78 3.974 -5.857 8.699 614 H GLU 79 HN GLU 79 -0.414 -5.057 9.694 615 HA GLU 79 HA GLU 79 -1.782 -5.799 12.028 616 HB2 GLU 79 HB2 GLU 79 -2.812 -4.441 9.574 617 HB3 GLU 79 HB1 GLU 79 -3.713 -4.511 11.074 618 HG2 GLU 79 HG2 GLU 79 -1.080 -3.114 10.611 619 HG3 GLU 79 HG1 GLU 79 -2.652 -2.341 10.789 620 H MET 80 HN MET 80 -2.049 -6.868 8.709 621 HA MET 80 HA MET 80 -4.376 -8.524 9.179 622 HB2 MET 80 HB2 MET 80 -2.521 -8.313 6.806 623 HB3 MET 80 HB1 MET 80 -3.961 -9.317 6.849 624 HG2 MET 80 HG2 MET 80 -5.315 -7.293 7.164 625 HG3 MET 80 HG1 MET 80 -3.849 -6.321 7.041 626 HE1 MET 80 HE1 MET 80 -6.320 -8.731 5.210 627 HE2 MET 80 HE2 MET 80 -4.788 -9.569 4.942 628 HE3 MET 80 HE3 MET 80 -5.631 -8.816 3.593 629 H ASN 81 HN ASN 81 -1.259 -8.791 10.074 630 HA ASN 81 HA ASN 81 0.115 -10.380 10.773 631 HB2 ASN 81 HB2 ASN 81 -1.895 -11.262 11.995 632 HB3 ASN 81 HB1 ASN 81 -2.322 -12.201 10.586 633 HD21 ASN 81 HD21 ASN 81 -1.586 -14.117 10.439 634 HD22 ASN 81 HD22 ASN 81 -0.399 -14.888 11.446 635 H LEU 82 HN LEU 82 -0.146 -9.745 8.052 636 HA LEU 82 HA LEU 82 0.519 -12.145 6.587 637 HB2 LEU 82 HB2 LEU 82 0.398 -9.220 5.873 638 HB3 LEU 82 HB1 LEU 82 0.858 -10.471 4.724 639 HG LEU 82 HG LEU 82 -1.838 -10.304 6.098 640 HD11 LEU 82 HD11 LEU 82 -1.051 -9.514 3.290 641 HD12 LEU 82 HD12 LEU 82 -1.490 -8.394 4.587 642 HD13 LEU 82 HD13 LEU 82 -2.683 -9.523 3.951 643 HD21 LEU 82 HD21 LEU 82 -2.501 -11.878 4.381 644 HD22 LEU 82 HD22 LEU 82 -1.185 -12.539 5.375 645 HD23 LEU 82 HD23 LEU 82 -0.851 -11.870 3.765 646 H THR 83 HN THR 83 2.534 -12.880 6.598 647 HA THR 83 HA THR 83 4.715 -11.019 7.283 648 HB THR 83 HB THR 83 5.879 -13.300 7.785 649 HG1 THR 83 HG1 THR 83 3.439 -14.133 8.768 650 HG21 THR 83 HG21 THR 83 5.583 -11.567 9.392 651 HG22 THR 83 HG22 THR 83 5.170 -13.122 10.124 652 HG23 THR 83 HG23 THR 83 3.883 -12.003 9.625 653 H GLU 84 HN GLU 84 3.856 -13.809 5.436 654 HA GLU 84 HA GLU 84 6.158 -14.303 4.067 655 HB2 GLU 84 HB2 GLU 84 4.520 -15.097 2.164 656 HB3 GLU 84 HB1 GLU 84 4.605 -15.949 3.691 657 HG2 GLU 84 HG2 GLU 84 2.573 -13.793 3.241 658 HG3 GLU 84 HG1 GLU 84 2.257 -15.454 2.690 659 H LEU 85 HN LEU 85 3.552 -12.413 2.565 660 HA LEU 85 HA LEU 85 5.422 -11.444 0.633 661 HB2 LEU 85 HB2 LEU 85 3.619 -10.191 -0.383 662 HB3 LEU 85 HB1 LEU 85 3.109 -11.830 -0.063 663 HG LEU 85 HG LEU 85 2.318 -9.442 1.612 664 HD11 LEU 85 HD11 LEU 85 0.797 -10.887 -0.550 665 HD12 LEU 85 HD12 LEU 85 1.476 -9.258 -0.657 666 HD13 LEU 85 HD13 LEU 85 0.178 -9.599 0.489 667 HD21 LEU 85 HD21 LEU 85 1.270 -12.281 1.530 668 HD22 LEU 85 HD22 LEU 85 0.526 -10.946 2.401 669 HD23 LEU 85 HD23 LEU 85 2.125 -11.510 2.875 670 H CYS 86 HN CYS 86 4.412 -10.378 3.681 671 HA CYS 86 HA CYS 86 4.927 -7.588 3.345 672 HB2 CYS 86 HB2 CYS 86 3.564 -8.524 5.177 673 HB3 CYS 86 HB1 CYS 86 5.004 -9.317 5.774 674 HG CYS 86 HG CYS 86 3.910 -6.602 6.898 675 H LYS 87 HN LYS 87 6.818 -10.379 4.214 676 HA LYS 87 HA LYS 87 9.192 -8.954 4.828 677 HB2 LYS 87 HB2 LYS 87 8.588 -11.846 4.257 678 HB3 LYS 87 HB1 LYS 87 10.195 -11.266 4.682 679 HG2 LYS 87 HG2 LYS 87 9.530 -10.634 6.848 680 HG3 LYS 87 HG1 LYS 87 7.822 -10.695 6.428 681 HD2 LYS 87 HD2 LYS 87 8.588 -12.594 7.853 682 HD3 LYS 87 HD1 LYS 87 7.871 -13.090 6.319 683 HE2 LYS 87 HE2 LYS 87 10.003 -13.400 5.367 684 HE3 LYS 87 HE1 LYS 87 10.801 -12.800 6.840 685 HZ1 LYS 87 HZ1 LYS 87 9.891 -14.718 8.018 686 HZ2 LYS 87 HZ2 LYS 87 10.826 -15.234 6.711 687 HZ3 LYS 87 HZ3 LYS 87 9.148 -15.270 6.606 688 H MET 88 HN MET 88 7.608 -9.723 1.973 689 HA MET 88 HA MET 88 9.971 -9.551 0.321 690 HB2 MET 88 HB2 MET 88 7.039 -9.377 -0.430 691 HB3 MET 88 HB1 MET 88 8.366 -9.387 -1.577 692 HG2 MET 88 HG2 MET 88 8.974 -11.628 -0.865 693 HG3 MET 88 HG1 MET 88 7.655 -11.618 0.304 694 HE1 MET 88 HE1 MET 88 8.081 -13.901 -1.905 695 HE2 MET 88 HE2 MET 88 6.389 -14.146 -2.359 696 HE3 MET 88 HE3 MET 88 6.821 -13.868 -0.674 697 H ALA 89 HN ALA 89 7.286 -7.557 1.386 698 HA ALA 89 HA ALA 89 7.886 -5.217 -0.026 699 HB1 ALA 89 HB1 ALA 89 6.567 -4.053 1.646 700 HB2 ALA 89 HB2 ALA 89 6.710 -5.435 2.739 701 HB3 ALA 89 HB3 ALA 89 5.819 -5.594 1.222 702 H LYS 90 HN LYS 90 8.943 -6.396 3.117 703 HA LYS 90 HA LYS 90 10.623 -4.219 3.830 704 HB2 LYS 90 HB2 LYS 90 10.654 -7.082 4.766 705 HB3 LYS 90 HB1 LYS 90 11.527 -5.760 5.523 706 HG2 LYS 90 HG2 LYS 90 9.450 -4.685 6.113 707 HG3 LYS 90 HG1 LYS 90 8.534 -5.931 5.263 708 HD2 LYS 90 HD2 LYS 90 9.396 -7.622 6.763 709 HD3 LYS 90 HD1 LYS 90 10.353 -6.410 7.623 710 HE2 LYS 90 HE2 LYS 90 8.254 -5.247 8.218 711 HE3 LYS 90 HE1 LYS 90 7.347 -6.523 7.410 712 HZ1 LYS 90 HZ1 LYS 90 9.109 -6.877 9.771 713 HZ2 LYS 90 HZ2 LYS 90 8.276 -8.112 9.004 714 HZ3 LYS 90 HZ3 LYS 90 7.421 -6.870 9.775 715 H ALA 91 HN ALA 91 11.049 -6.439 1.397 716 HA ALA 91 HA ALA 91 13.974 -6.318 1.601 717 HB1 ALA 91 HB1 ALA 91 14.003 -8.365 0.282 718 HB2 ALA 91 HB2 ALA 91 12.245 -8.328 0.197 719 HB3 ALA 91 HB3 ALA 91 13.038 -8.587 1.748 720 H GLU 92 HN GLU 92 11.320 -5.185 -0.066 721 HA GLU 92 HA GLU 92 12.886 -4.812 -2.536 722 HB2 GLU 92 HB2 GLU 92 9.987 -5.368 -2.163 723 HB3 GLU 92 HB1 GLU 92 10.702 -4.990 -3.741 724 HG2 GLU 92 HG2 GLU 92 11.652 -7.249 -2.032 725 HG3 GLU 92 HG1 GLU 92 10.237 -7.456 -3.037 726 H MET 93 HN MET 93 10.246 -3.396 -0.507 727 HA MET 93 HA MET 93 10.439 -0.889 -1.990 728 HB2 MET 93 HB2 MET 93 8.396 -2.036 -0.324 729 HB3 MET 93 HB1 MET 93 8.902 -0.508 0.408 730 HG2 MET 93 HG2 MET 93 8.568 0.157 -2.232 731 HG3 MET 93 HG1 MET 93 7.381 -1.130 -1.967 732 HE1 MET 93 HE1 MET 93 7.473 2.852 0.305 733 HE2 MET 93 HE2 MET 93 8.443 2.495 -1.119 734 HE3 MET 93 HE3 MET 93 8.774 1.660 0.397 735 H MET 94 HN MET 94 11.850 -2.389 0.588 736 HA MET 94 HA MET 94 13.402 -0.128 1.370 737 HB2 MET 94 HB2 MET 94 12.891 -0.486 3.797 738 HB3 MET 94 HB1 MET 94 11.506 0.134 2.917 739 HG2 MET 94 HG2 MET 94 10.614 -2.169 2.774 740 HG3 MET 94 HG1 MET 94 11.984 -2.717 3.732 741 HE1 MET 94 HE1 MET 94 12.268 -2.279 6.299 742 HE2 MET 94 HE2 MET 94 11.280 -1.149 7.227 743 HE3 MET 94 HE3 MET 94 12.350 -0.549 5.958 744 H GLU 95 HN GLU 95 15.226 -0.999 2.724 745 HA GLU 95 HA GLU 95 15.544 -3.881 2.343 746 HB2 GLU 95 HB2 GLU 95 16.843 -2.482 0.705 747 HB3 GLU 95 HB1 GLU 95 17.667 -1.736 2.062 748 HG2 GLU 95 HG2 GLU 95 19.119 -3.375 1.189 749 HG3 GLU 95 HG1 GLU 95 18.454 -3.971 2.714 750 H ASP 96 HN ASP 96 14.487 -3.303 4.601 751 HA ASP 96 HA ASP 96 16.702 -3.223 6.493 752 HB2 ASP 96 HB2 ASP 96 14.156 -1.618 6.822 753 HB3 ASP 96 HB1 ASP 96 15.305 -1.907 8.116 754 H GLY 97 HN GLY 97 16.673 -5.317 6.849 755 HA2 GLY 97 HA2 GLY 97 14.249 -6.618 7.796 756 HA3 GLY 97 HA1 GLY 97 15.816 -7.380 7.520 757 H GLN 98 HN GLN 98 14.182 -5.093 9.567 758 HA GLN 98 HA GLN 98 16.241 -5.212 11.596 759 HB2 GLN 98 HB2 GLN 98 13.608 -3.767 11.551 760 HB3 GLN 98 HB1 GLN 98 14.847 -3.608 12.778 761 HG2 GLN 98 HG2 GLN 98 16.374 -2.668 11.153 762 HG3 GLN 98 HG1 GLN 98 15.163 -2.887 9.887 763 HE21 GLN 98 HE21 GLN 98 14.365 -1.903 13.145 764 HE22 GLN 98 HE22 GLN 98 13.897 -0.296 12.733 Start of MODEL 20 1 H MET 3 HT1 MET 3 15.622 6.688 -4.776 2 HA MET 3 HA MET 3 13.993 4.278 -4.301 3 HB2 MET 3 HB2 MET 3 12.931 6.367 -3.504 4 HB3 MET 3 HB1 MET 3 13.211 7.102 -5.074 5 HG2 MET 3 HG2 MET 3 11.798 5.174 -6.025 6 HG3 MET 3 HG1 MET 3 11.304 4.888 -4.362 7 HE1 MET 3 HE1 MET 3 10.392 8.746 -6.746 8 HE2 MET 3 HE2 MET 3 11.228 7.347 -7.416 9 HE3 MET 3 HE3 MET 3 12.017 8.350 -6.199 10 H THR 4 HN THR 4 13.342 3.226 -6.185 11 HA THR 4 HA THR 4 14.156 4.441 -8.705 12 HB THR 4 HB THR 4 13.604 2.058 -9.540 13 HG1 THR 4 HG1 THR 4 14.341 1.250 -6.953 14 HG21 THR 4 HG21 THR 4 16.004 2.553 -7.771 15 HG22 THR 4 HG22 THR 4 15.876 2.935 -9.490 16 HG23 THR 4 HG23 THR 4 15.879 1.252 -8.954 17 H SER 5 HN SER 5 12.552 4.913 -10.202 18 HA SER 5 HA SER 5 10.101 5.466 -8.904 19 HB2 SER 5 HB2 SER 5 11.266 6.978 -10.613 20 HB3 SER 5 HB1 SER 5 10.575 5.941 -11.856 21 HG SER 5 HG SER 5 8.752 6.968 -11.612 22 HA PRO 6 HA PRO 6 7.925 2.366 -11.895 23 HB2 PRO 6 HB2 PRO 6 10.035 0.498 -12.750 24 HB3 PRO 6 HB1 PRO 6 8.787 1.283 -13.719 25 HG2 PRO 6 HG2 PRO 6 11.363 1.982 -13.921 26 HG3 PRO 6 HG1 PRO 6 10.059 3.172 -14.071 27 HD2 PRO 6 HD2 PRO 6 11.828 2.594 -11.721 28 HD3 PRO 6 HD1 PRO 6 11.299 4.159 -12.377 29 H GLN 7 HN GLN 7 10.810 1.144 -10.252 30 HA GLN 7 HA GLN 7 9.613 -1.255 -9.450 31 HB2 GLN 7 HB2 GLN 7 12.118 0.103 -8.500 32 HB3 GLN 7 HB1 GLN 7 11.569 -1.428 -7.837 33 HG2 GLN 7 HG2 GLN 7 13.219 -1.879 -9.500 34 HG3 GLN 7 HG1 GLN 7 11.658 -2.399 -10.118 35 HE21 GLN 7 HE21 GLN 7 12.183 -2.278 -12.227 36 HE22 GLN 7 HE22 GLN 7 12.553 -0.818 -13.075 37 H LEU 8 HN LEU 8 9.812 1.881 -7.942 38 HA LEU 8 HA LEU 8 8.928 1.456 -5.385 39 HB2 LEU 8 HB2 LEU 8 9.303 3.676 -5.896 40 HB3 LEU 8 HB1 LEU 8 8.459 3.581 -7.423 41 HG LEU 8 HG LEU 8 6.316 3.488 -6.155 42 HD11 LEU 8 HD11 LEU 8 6.949 2.723 -4.074 43 HD12 LEU 8 HD12 LEU 8 6.245 4.329 -3.871 44 HD13 LEU 8 HD13 LEU 8 8.004 4.110 -3.777 45 HD21 LEU 8 HD21 LEU 8 6.284 5.896 -5.617 46 HD22 LEU 8 HD22 LEU 8 6.910 5.471 -7.200 47 HD23 LEU 8 HD23 LEU 8 8.034 5.940 -5.907 48 H GLU 9 HN GLU 9 6.809 2.103 -8.137 49 HA GLU 9 HA GLU 9 4.552 1.512 -6.606 50 HB2 GLU 9 HB2 GLU 9 4.630 3.128 -8.469 51 HB3 GLU 9 HB1 GLU 9 4.754 1.783 -9.599 52 HG2 GLU 9 HG2 GLU 9 2.526 0.970 -8.585 53 HG3 GLU 9 HG1 GLU 9 2.456 2.599 -7.887 54 H TRP 10 HN TRP 10 6.558 -0.234 -8.914 55 HA TRP 10 HA TRP 10 4.978 -2.445 -9.411 56 HB2 TRP 10 HB2 TRP 10 7.010 -2.197 -10.701 57 HB3 TRP 10 HB1 TRP 10 7.984 -2.226 -9.230 58 HD1 TRP 10 HD1 TRP 10 6.069 -4.629 -11.572 59 HE1 TRP 10 HE1 TRP 10 6.892 -7.033 -11.122 60 HE3 TRP 10 HE3 TRP 10 9.058 -3.742 -7.535 61 HZ2 TRP 10 HZ2 TRP 10 8.572 -8.373 -9.280 62 HZ3 TRP 10 HZ3 TRP 10 10.214 -5.631 -6.480 63 HH2 TRP 10 HH2 TRP 10 9.995 -7.847 -7.282 64 H THR 11 HN THR 11 7.307 -1.926 -6.745 65 HA THR 11 HA THR 11 6.919 -4.531 -5.728 66 HB THR 11 HB THR 11 7.808 -2.188 -4.037 67 HG1 THR 11 HG1 THR 11 9.128 -2.140 -5.864 68 HG21 THR 11 HG21 THR 11 9.142 -3.945 -2.930 69 HG22 THR 11 HG22 THR 11 8.469 -5.137 -4.038 70 HG23 THR 11 HG23 THR 11 7.416 -4.312 -2.886 71 H LEU 12 HN LEU 12 5.396 -1.464 -5.063 72 HA LEU 12 HA LEU 12 3.884 -2.230 -2.872 73 HB2 LEU 12 HB2 LEU 12 3.348 -0.320 -5.089 74 HB3 LEU 12 HB1 LEU 12 2.281 -0.430 -3.698 75 HG LEU 12 HG LEU 12 5.154 0.499 -3.751 76 HD11 LEU 12 HD11 LEU 12 3.611 2.118 -4.634 77 HD12 LEU 12 HD12 LEU 12 4.120 2.642 -3.026 78 HD13 LEU 12 HD13 LEU 12 2.534 1.897 -3.261 79 HD21 LEU 12 HD21 LEU 12 3.250 0.201 -1.424 80 HD22 LEU 12 HD22 LEU 12 4.814 1.011 -1.357 81 HD23 LEU 12 HD23 LEU 12 4.735 -0.719 -1.677 82 H GLN 13 HN GLN 13 3.140 -2.166 -6.375 83 HA GLN 13 HA GLN 13 0.536 -3.162 -6.168 84 HB2 GLN 13 HB2 GLN 13 0.532 -3.458 -8.576 85 HB3 GLN 13 HB1 GLN 13 1.391 -1.958 -8.206 86 HG2 GLN 13 HG2 GLN 13 3.485 -3.137 -8.563 87 HG3 GLN 13 HG1 GLN 13 2.565 -4.594 -8.920 88 HE21 GLN 13 HE21 GLN 13 1.523 -4.824 -10.775 89 HE22 GLN 13 HE22 GLN 13 1.737 -3.784 -12.146 90 H THR 14 HN THR 14 3.596 -4.839 -6.695 91 HA THR 14 HA THR 14 2.583 -7.322 -7.379 92 HB THR 14 HB THR 14 5.145 -6.704 -5.877 93 HG1 THR 14 HG1 THR 14 5.280 -5.611 -7.740 94 HG21 THR 14 HG21 THR 14 4.594 -9.129 -5.908 95 HG22 THR 14 HG22 THR 14 5.991 -8.737 -6.920 96 HG23 THR 14 HG23 THR 14 4.424 -9.027 -7.668 97 H LEU 15 HN LEU 15 3.093 -5.940 -4.185 98 HA LEU 15 HA LEU 15 2.471 -8.295 -2.713 99 HB2 LEU 15 HB2 LEU 15 2.192 -5.392 -1.956 100 HB3 LEU 15 HB1 LEU 15 2.175 -6.734 -0.838 101 HG LEU 15 HG LEU 15 4.570 -6.100 -2.557 102 HD11 LEU 15 HD11 LEU 15 4.080 -4.184 -1.127 103 HD12 LEU 15 HD12 LEU 15 5.523 -5.050 -0.587 104 HD13 LEU 15 HD13 LEU 15 3.999 -5.256 0.276 105 HD21 LEU 15 HD21 LEU 15 5.742 -7.466 -0.928 106 HD22 LEU 15 HD22 LEU 15 4.417 -8.391 -1.636 107 HD23 LEU 15 HD23 LEU 15 4.266 -7.712 -0.017 108 H LEU 16 HN LEU 16 0.672 -5.450 -3.731 109 HA LEU 16 HA LEU 16 -1.793 -6.210 -2.545 110 HB2 LEU 16 HB2 LEU 16 -1.197 -4.144 -4.654 111 HB3 LEU 16 HB1 LEU 16 -2.702 -4.289 -3.767 112 HG LEU 16 HG LEU 16 -0.031 -3.676 -2.479 113 HD11 LEU 16 HD11 LEU 16 -0.725 -1.878 -3.979 114 HD12 LEU 16 HD12 LEU 16 -0.788 -1.395 -2.290 115 HD13 LEU 16 HD13 LEU 16 -2.281 -1.787 -3.151 116 HD21 LEU 16 HD21 LEU 16 -2.852 -3.545 -1.428 117 HD22 LEU 16 HD22 LEU 16 -1.422 -2.985 -0.582 118 HD23 LEU 16 HD23 LEU 16 -1.611 -4.706 -0.947 119 H GLU 17 HN GLU 17 -0.308 -6.983 -5.541 120 HA GLU 17 HA GLU 17 -2.754 -7.822 -6.791 121 HB2 GLU 17 HB2 GLU 17 0.135 -8.345 -7.550 122 HB3 GLU 17 HB1 GLU 17 -1.240 -8.863 -8.514 123 HG2 GLU 17 HG2 GLU 17 -1.920 -6.491 -8.771 124 HG3 GLU 17 HG1 GLU 17 -0.502 -6.018 -7.850 125 H GLN 18 HN GLN 18 -0.620 -9.083 -4.527 126 HA GLN 18 HA GLN 18 -1.439 -11.839 -4.928 127 HB2 GLN 18 HB2 GLN 18 0.431 -10.529 -2.951 128 HB3 GLN 18 HB1 GLN 18 0.062 -12.252 -2.939 129 HG2 GLN 18 HG2 GLN 18 1.040 -12.517 -5.125 130 HG3 GLN 18 HG1 GLN 18 1.269 -10.777 -5.270 131 HE21 GLN 18 HE21 GLN 18 3.456 -11.014 -5.583 132 HE22 GLN 18 HE22 GLN 18 4.543 -11.442 -4.326 133 H LEU 19 HN LEU 19 -1.869 -9.200 -2.623 134 HA LEU 19 HA LEU 19 -3.970 -10.777 -1.293 135 HB2 LEU 19 HB2 LEU 19 -3.626 -9.458 0.639 136 HB3 LEU 19 HB1 LEU 19 -2.007 -9.798 0.061 137 HG LEU 19 HG LEU 19 -2.670 -7.421 -1.147 138 HD11 LEU 19 HD11 LEU 19 -4.593 -7.125 0.058 139 HD12 LEU 19 HD12 LEU 19 -3.429 -5.907 0.601 140 HD13 LEU 19 HD13 LEU 19 -3.786 -7.321 1.616 141 HD21 LEU 19 HD21 LEU 19 -1.103 -6.355 0.349 142 HD22 LEU 19 HD22 LEU 19 -0.514 -7.858 -0.321 143 HD23 LEU 19 HD23 LEU 19 -1.064 -7.803 1.381 144 H ASN 20 HN ASN 20 -5.984 -10.249 -2.120 145 HA ASN 20 HA ASN 20 -6.743 -7.539 -2.184 146 HB2 ASN 20 HB2 ASN 20 -7.260 -7.284 -4.645 147 HB3 ASN 20 HB1 ASN 20 -5.561 -7.312 -4.212 148 HD21 ASN 20 HD21 ASN 20 -4.470 -9.224 -4.465 149 HD22 ASN 20 HD22 ASN 20 -4.806 -10.312 -5.782 150 H GLU 21 HN GLU 21 -7.673 -10.649 -3.573 151 HA GLU 21 HA GLU 21 -10.206 -10.469 -4.352 152 HB2 GLU 21 HB2 GLU 21 -8.898 -12.535 -4.254 153 HB3 GLU 21 HB1 GLU 21 -9.147 -12.616 -2.522 154 HG2 GLU 21 HG2 GLU 21 -11.541 -12.917 -2.883 155 HG3 GLU 21 HG1 GLU 21 -11.284 -12.830 -4.628 156 H ASP 22 HN ASP 22 -9.685 -11.421 -0.963 157 HA ASP 22 HA ASP 22 -11.864 -9.618 -0.278 158 HB2 ASP 22 HB2 ASP 22 -12.773 -11.748 -0.041 159 HB3 ASP 22 HB1 ASP 22 -11.319 -12.418 0.747 160 H GLU 23 HN GLU 23 -8.875 -9.980 -0.304 161 HA GLU 23 HA GLU 23 -7.974 -9.719 2.442 162 HB2 GLU 23 HB2 GLU 23 -6.277 -9.324 0.008 163 HB3 GLU 23 HB1 GLU 23 -5.809 -9.941 1.583 164 HG2 GLU 23 HG2 GLU 23 -7.539 -11.338 -0.421 165 HG3 GLU 23 HG1 GLU 23 -5.836 -11.682 -0.153 166 H LEU 24 HN LEU 24 -8.384 -7.727 -0.442 167 HA LEU 24 HA LEU 24 -6.892 -5.488 0.480 168 HB2 LEU 24 HB2 LEU 24 -8.028 -6.221 -1.933 169 HB3 LEU 24 HB1 LEU 24 -9.102 -4.990 -1.347 170 HG LEU 24 HG LEU 24 -7.282 -3.386 -1.184 171 HD11 LEU 24 HD11 LEU 24 -5.620 -5.602 -2.383 172 HD12 LEU 24 HD12 LEU 24 -5.410 -4.898 -0.777 173 HD13 LEU 24 HD13 LEU 24 -5.110 -3.929 -2.213 174 HD21 LEU 24 HD21 LEU 24 -7.521 -4.750 -3.855 175 HD22 LEU 24 HD22 LEU 24 -6.936 -3.108 -3.591 176 HD23 LEU 24 HD23 LEU 24 -8.612 -3.517 -3.223 177 H LYS 25 HN LYS 25 -10.077 -6.643 0.835 178 HA LYS 25 HA LYS 25 -11.515 -4.398 1.607 179 HB2 LYS 25 HB2 LYS 25 -11.759 -7.284 2.481 180 HB3 LYS 25 HB1 LYS 25 -13.006 -6.056 2.699 181 HG2 LYS 25 HG2 LYS 25 -13.347 -5.843 0.361 182 HG3 LYS 25 HG1 LYS 25 -11.884 -6.742 -0.004 183 HD2 LYS 25 HD2 LYS 25 -13.811 -8.154 -0.444 184 HD3 LYS 25 HD1 LYS 25 -12.916 -8.746 0.956 185 HE2 LYS 25 HE2 LYS 25 -14.408 -7.966 2.436 186 HE3 LYS 25 HE1 LYS 25 -15.318 -6.994 1.234 187 HZ1 LYS 25 HZ1 LYS 25 -16.498 -9.019 1.779 188 HZ2 LYS 25 HZ2 LYS 25 -15.097 -9.939 1.501 189 HZ3 LYS 25 HZ3 LYS 25 -15.883 -9.187 0.213 190 H SER 26 HN SER 26 -9.532 -6.663 3.591 191 HA SER 26 HA SER 26 -9.906 -5.454 6.035 192 HB2 SER 26 HB2 SER 26 -7.742 -7.052 4.779 193 HB3 SER 26 HB1 SER 26 -7.882 -6.730 6.480 194 HG SER 26 HG SER 26 -10.215 -7.608 5.930 195 H PHE 27 HN PHE 27 -7.362 -5.286 3.625 196 HA PHE 27 HA PHE 27 -5.571 -3.559 4.786 197 HB2 PHE 27 HB2 PHE 27 -5.172 -4.792 2.732 198 HB3 PHE 27 HB1 PHE 27 -6.379 -3.830 1.906 199 HD1 PHE 27 HD2 PHE 27 -5.800 -1.253 1.682 200 HD2 PHE 27 HD1 PHE 27 -2.926 -4.217 2.709 201 HE1 PHE 27 HE2 PHE 27 -3.989 0.286 1.047 202 HE2 PHE 27 HE1 PHE 27 -1.115 -2.681 2.076 203 HZ PHE 27 HZ PHE 27 -1.643 -0.427 1.246 204 H LYS 28 HN LYS 28 -8.264 -2.685 2.611 205 HA LYS 28 HA LYS 28 -8.045 0.079 2.563 206 HB2 LYS 28 HB2 LYS 28 -10.558 -1.617 2.557 207 HB3 LYS 28 HB1 LYS 28 -10.525 0.087 2.147 208 HG2 LYS 28 HG2 LYS 28 -9.291 -0.319 0.165 209 HG3 LYS 28 HG1 LYS 28 -8.922 -1.975 0.653 210 HD2 LYS 28 HD2 LYS 28 -11.340 -2.521 0.508 211 HD3 LYS 28 HD1 LYS 28 -11.654 -0.882 -0.049 212 HE2 LYS 28 HE2 LYS 28 -10.408 -1.236 -2.053 213 HE3 LYS 28 HE1 LYS 28 -9.783 -2.771 -1.464 214 HZ1 LYS 28 HZ1 LYS 28 -11.921 -3.765 -1.705 215 HZ2 LYS 28 HZ2 LYS 28 -11.637 -2.930 -3.124 216 HZ3 LYS 28 HZ3 LYS 28 -12.687 -2.298 -1.987 217 H SER 29 HN SER 29 -9.851 -1.952 4.870 218 HA SER 29 HA SER 29 -10.919 0.065 6.366 219 HB2 SER 29 HB2 SER 29 -10.359 -2.776 6.558 220 HB3 SER 29 HB1 SER 29 -11.078 -1.985 7.937 221 HG SER 29 HG SER 29 -12.482 -1.153 5.979 222 H LEU 30 HN LEU 30 -8.161 -2.027 6.985 223 HA LEU 30 HA LEU 30 -7.369 -1.004 9.485 224 HB2 LEU 30 HB2 LEU 30 -5.725 -2.173 7.270 225 HB3 LEU 30 HB1 LEU 30 -5.134 -1.959 8.906 226 HG LEU 30 HG LEU 30 -7.532 -3.641 8.194 227 HD11 LEU 30 HD11 LEU 30 -6.021 -5.564 8.431 228 HD12 LEU 30 HD12 LEU 30 -4.654 -4.443 8.599 229 HD13 LEU 30 HD13 LEU 30 -5.577 -4.501 7.098 230 HD21 LEU 30 HD21 LEU 30 -5.820 -3.481 10.680 231 HD22 LEU 30 HD22 LEU 30 -7.123 -4.638 10.410 232 HD23 LEU 30 HD23 LEU 30 -7.486 -2.918 10.517 233 H LEU 31 HN LEU 31 -6.499 -0.049 6.261 234 HA LEU 31 HA LEU 31 -4.675 2.000 6.855 235 HB2 LEU 31 HB2 LEU 31 -4.578 1.278 4.752 236 HB3 LEU 31 HB1 LEU 31 -6.281 1.016 4.587 237 HG LEU 31 HG LEU 31 -6.334 3.663 4.477 238 HD11 LEU 31 HD11 LEU 31 -4.069 4.073 5.089 239 HD12 LEU 31 HD12 LEU 31 -4.361 4.640 3.445 240 HD13 LEU 31 HD13 LEU 31 -3.485 3.132 3.717 241 HD21 LEU 31 HD21 LEU 31 -6.026 3.581 2.042 242 HD22 LEU 31 HD22 LEU 31 -7.026 2.275 2.671 243 HD23 LEU 31 HD23 LEU 31 -5.352 1.952 2.203 244 H TRP 32 HN TRP 32 -8.168 1.953 6.562 245 HA TRP 32 HA TRP 32 -8.337 4.775 6.840 246 HB2 TRP 32 HB2 TRP 32 -9.993 2.800 5.948 247 HB3 TRP 32 HB1 TRP 32 -10.790 3.306 7.450 248 HD1 TRP 32 HD1 TRP 32 -12.275 5.429 7.205 249 HE1 TRP 32 HE1 TRP 32 -12.514 7.275 5.433 250 HE3 TRP 32 HE3 TRP 32 -8.460 4.067 4.235 251 HZ2 TRP 32 HZ2 TRP 32 -11.189 8.060 3.028 252 HZ3 TRP 32 HZ3 TRP 32 -7.952 5.404 2.175 253 HH2 TRP 32 HH2 TRP 32 -9.301 7.356 1.599 254 H ALA 33 HN ALA 33 -8.150 2.084 8.902 255 HA ALA 33 HA ALA 33 -9.454 3.166 11.194 256 HB1 ALA 33 HB1 ALA 33 -9.249 0.745 10.835 257 HB2 ALA 33 HB2 ALA 33 -8.595 1.246 12.395 258 HB3 ALA 33 HB3 ALA 33 -7.505 0.875 11.058 259 H PHE 34 HN PHE 34 -6.147 3.261 10.001 260 HA PHE 34 HA PHE 34 -5.265 4.311 12.510 261 HB2 PHE 34 HB2 PHE 34 -3.015 4.255 11.602 262 HB3 PHE 34 HB1 PHE 34 -3.839 2.861 10.934 263 HD1 PHE 34 HD2 PHE 34 -3.059 6.397 9.992 264 HD2 PHE 34 HD1 PHE 34 -3.578 2.353 8.770 265 HE1 PHE 34 HE2 PHE 34 -2.374 6.996 7.743 266 HE2 PHE 34 HE1 PHE 34 -2.866 2.974 6.494 267 HZ PHE 34 HZ PHE 34 -2.296 5.289 5.980 268 HA PRO 35 HA PRO 35 -6.160 8.552 11.701 269 HB2 PRO 35 HB2 PRO 35 -3.894 9.816 12.628 270 HB3 PRO 35 HB1 PRO 35 -5.193 9.235 13.669 271 HG2 PRO 35 HG2 PRO 35 -2.563 7.973 13.035 272 HG3 PRO 35 HG1 PRO 35 -3.441 8.027 14.573 273 HD2 PRO 35 HD2 PRO 35 -3.411 5.829 13.011 274 HD3 PRO 35 HD1 PRO 35 -4.823 6.272 13.993 275 H LEU 36 HN LEU 36 -6.226 9.104 9.630 276 HA LEU 36 HA LEU 36 -3.912 9.042 7.914 277 HB2 LEU 36 HB2 LEU 36 -6.547 10.363 7.412 278 HB3 LEU 36 HB1 LEU 36 -5.367 9.948 6.200 279 HG LEU 36 HG LEU 36 -7.120 8.025 7.741 280 HD11 LEU 36 HD11 LEU 36 -6.902 8.647 4.825 281 HD12 LEU 36 HD12 LEU 36 -8.221 9.144 5.897 282 HD13 LEU 36 HD13 LEU 36 -7.948 7.430 5.547 283 HD21 LEU 36 HD21 LEU 36 -4.940 7.404 5.764 284 HD22 LEU 36 HD22 LEU 36 -6.076 6.246 6.455 285 HD23 LEU 36 HD23 LEU 36 -4.910 7.063 7.493 286 H GLU 37 HN GLU 37 -2.664 10.744 7.362 287 HA GLU 37 HA GLU 37 -3.081 13.167 8.943 288 HB2 GLU 37 HB2 GLU 37 -0.550 12.183 7.635 289 HB3 GLU 37 HB1 GLU 37 -0.697 13.447 8.855 290 HG2 GLU 37 HG2 GLU 37 -1.597 11.745 10.428 291 HG3 GLU 37 HG1 GLU 37 -1.273 10.526 9.216 292 H ASP 38 HN ASP 38 -1.427 14.932 7.569 293 HA ASP 38 HA ASP 38 -3.125 16.043 5.707 294 HB2 ASP 38 HB2 ASP 38 -0.219 16.475 6.228 295 HB3 ASP 38 HB1 ASP 38 -0.939 17.215 4.807 296 H VAL 39 HN VAL 39 -3.441 16.069 3.611 297 HA VAL 39 HA VAL 39 -3.616 15.451 1.513 298 HB VAL 39 HB VAL 39 -0.898 14.425 2.025 299 HG11 VAL 39 HG11 VAL 39 -0.630 14.248 -0.505 300 HG12 VAL 39 HG12 VAL 39 -2.336 14.667 -0.668 301 HG13 VAL 39 HG13 VAL 39 -1.872 13.150 0.098 302 HG21 VAL 39 HG21 VAL 39 -1.018 16.794 2.105 303 HG22 VAL 39 HG22 VAL 39 -1.859 16.868 0.558 304 HG23 VAL 39 HG23 VAL 39 -0.171 16.359 0.620 305 H LEU 40 HN LEU 40 -2.454 12.914 3.602 306 HA LEU 40 HA LEU 40 -3.602 10.765 2.120 307 HB2 LEU 40 HB2 LEU 40 -1.733 10.465 3.649 308 HB3 LEU 40 HB1 LEU 40 -2.740 10.950 5.000 309 HG LEU 40 HG LEU 40 -4.134 8.929 4.591 310 HD11 LEU 40 HD11 LEU 40 -1.923 8.206 2.673 311 HD12 LEU 40 HD12 LEU 40 -3.602 8.540 2.249 312 HD13 LEU 40 HD13 LEU 40 -3.203 7.126 3.221 313 HD21 LEU 40 HD21 LEU 40 -2.529 7.395 5.566 314 HD22 LEU 40 HD22 LEU 40 -2.420 8.998 6.296 315 HD23 LEU 40 HD23 LEU 40 -1.212 8.479 5.118 316 H GLN 41 HN GLN 41 -4.741 12.963 4.511 317 HA GLN 41 HA GLN 41 -7.211 11.572 5.088 318 HB2 GLN 41 HB2 GLN 41 -5.974 13.064 6.703 319 HB3 GLN 41 HB1 GLN 41 -6.374 14.427 5.680 320 HG2 GLN 41 HG2 GLN 41 -8.739 14.111 6.156 321 HG3 GLN 41 HG1 GLN 41 -8.366 12.688 7.125 322 HE21 GLN 41 HE21 GLN 41 -7.451 12.944 9.106 323 HE22 GLN 41 HE22 GLN 41 -7.349 14.448 9.934 324 H LYS 42 HN LYS 42 -6.608 12.112 2.394 325 HA LYS 42 HA LYS 42 -8.991 13.579 1.526 326 HB2 LYS 42 HB2 LYS 42 -7.243 15.122 1.059 327 HB3 LYS 42 HB1 LYS 42 -6.182 13.853 0.474 328 HG2 LYS 42 HG2 LYS 42 -7.625 13.562 -1.480 329 HG3 LYS 42 HG1 LYS 42 -8.676 14.849 -0.885 330 HD2 LYS 42 HD2 LYS 42 -6.921 16.453 -1.081 331 HD3 LYS 42 HD1 LYS 42 -5.749 15.188 -1.449 332 HE2 LYS 42 HE2 LYS 42 -8.159 15.703 -3.149 333 HE3 LYS 42 HE1 LYS 42 -6.601 16.507 -3.451 334 HZ1 LYS 42 HZ1 LYS 42 -7.222 13.603 -3.533 335 HZ2 LYS 42 HZ2 LYS 42 -5.669 14.240 -3.702 336 HZ3 LYS 42 HZ3 LYS 42 -6.863 14.601 -4.832 337 H THR 43 HN THR 43 -6.706 10.957 1.193 338 HA THR 43 HA THR 43 -6.755 9.876 -1.126 339 HB THR 43 HB THR 43 -7.336 8.287 1.376 340 HG1 THR 43 HG1 THR 43 -5.573 9.202 2.003 341 HG21 THR 43 HG21 THR 43 -5.748 7.628 -1.114 342 HG22 THR 43 HG22 THR 43 -7.328 6.948 -0.702 343 HG23 THR 43 HG23 THR 43 -5.919 6.598 0.306 344 HA PRO 44 HA PRO 44 -11.172 9.634 -2.160 345 HB2 PRO 44 HB2 PRO 44 -10.671 8.518 -4.652 346 HB3 PRO 44 HB1 PRO 44 -10.716 10.253 -4.311 347 HG2 PRO 44 HG2 PRO 44 -8.347 8.404 -4.387 348 HG3 PRO 44 HG1 PRO 44 -8.474 10.002 -5.131 349 HD2 PRO 44 HD2 PRO 44 -7.186 9.808 -2.900 350 HD3 PRO 44 HD1 PRO 44 -8.388 11.078 -3.032 351 H TRP 45 HN TRP 45 -11.845 8.009 -0.741 352 HA TRP 45 HA TRP 45 -11.123 5.304 -0.820 353 HB2 TRP 45 HB2 TRP 45 -12.276 6.184 1.137 354 HB3 TRP 45 HB1 TRP 45 -13.688 6.593 0.176 355 HD1 TRP 45 HD1 TRP 45 -15.194 4.468 -0.694 356 HE1 TRP 45 HE1 TRP 45 -15.650 2.191 0.380 357 HE3 TRP 45 HE3 TRP 45 -11.257 4.317 2.548 358 HZ2 TRP 45 HZ2 TRP 45 -14.491 0.528 2.344 359 HZ3 TRP 45 HZ3 TRP 45 -11.001 2.340 3.984 360 HH2 TRP 45 HH2 TRP 45 -12.580 0.489 3.890 361 H SER 46 HN SER 46 -13.612 7.053 -2.595 362 HA SER 46 HA SER 46 -14.955 4.881 -3.704 363 HB2 SER 46 HB2 SER 46 -15.747 7.217 -3.893 364 HB3 SER 46 HB1 SER 46 -14.389 7.596 -4.946 365 HG SER 46 HG SER 46 -16.408 5.688 -5.477 366 H GLU 47 HN GLU 47 -11.910 6.351 -4.564 367 HA GLU 47 HA GLU 47 -11.587 4.780 -6.935 368 HB2 GLU 47 HB2 GLU 47 -9.644 6.499 -5.392 369 HB3 GLU 47 HB1 GLU 47 -9.243 5.665 -6.884 370 HG2 GLU 47 HG2 GLU 47 -11.386 7.754 -6.583 371 HG3 GLU 47 HG1 GLU 47 -9.776 8.031 -7.248 372 H VAL 48 HN VAL 48 -10.425 4.691 -3.589 373 HA VAL 48 HA VAL 48 -8.606 2.536 -3.951 374 HB VAL 48 HB VAL 48 -8.237 2.488 -1.664 375 HG11 VAL 48 HG11 VAL 48 -9.281 5.209 -2.083 376 HG12 VAL 48 HG12 VAL 48 -7.636 4.613 -2.370 377 HG13 VAL 48 HG13 VAL 48 -8.286 4.703 -0.724 378 HG21 VAL 48 HG21 VAL 48 -11.078 3.349 -1.133 379 HG22 VAL 48 HG22 VAL 48 -9.843 3.214 0.116 380 HG23 VAL 48 HG23 VAL 48 -10.346 1.786 -0.784 381 H GLU 49 HN GLU 49 -11.992 2.692 -3.417 382 HA GLU 49 HA GLU 49 -12.465 0.106 -2.423 383 HB2 GLU 49 HB2 GLU 49 -13.947 2.283 -2.738 384 HB3 GLU 49 HB1 GLU 49 -14.500 1.314 -4.105 385 HG2 GLU 49 HG2 GLU 49 -14.432 0.554 -1.238 386 HG3 GLU 49 HG1 GLU 49 -15.847 0.835 -2.239 387 H GLU 50 HN GLU 50 -12.946 1.472 -5.643 388 HA GLU 50 HA GLU 50 -13.511 -1.149 -6.503 389 HB2 GLU 50 HB2 GLU 50 -13.688 1.462 -7.990 390 HB3 GLU 50 HB1 GLU 50 -14.187 -0.104 -8.641 391 HG2 GLU 50 HG2 GLU 50 -15.762 -0.364 -6.760 392 HG3 GLU 50 HG1 GLU 50 -15.290 1.211 -6.155 393 H ALA 51 HN ALA 51 -10.814 0.109 -5.982 394 HA ALA 51 HA ALA 51 -9.225 -0.699 -8.369 395 HB1 ALA 51 HB1 ALA 51 -8.677 1.465 -7.377 396 HB2 ALA 51 HB2 ALA 51 -7.370 0.296 -7.142 397 HB3 ALA 51 HB3 ALA 51 -8.458 0.686 -5.814 398 H ASP 52 HN ASP 52 -7.789 -2.293 -8.273 399 HA ASP 52 HA ASP 52 -7.542 -3.714 -5.750 400 HB2 ASP 52 HB2 ASP 52 -7.791 -5.842 -6.739 401 HB3 ASP 52 HB1 ASP 52 -9.149 -4.893 -7.303 402 H GLY 53 HN GLY 53 -5.574 -4.665 -5.446 403 HA2 GLY 53 HA2 GLY 53 -3.299 -4.909 -5.559 404 HA3 GLY 53 HA1 GLY 53 -3.648 -5.319 -7.226 405 H LYS 54 HN LYS 54 -3.026 -4.040 -8.800 406 HA LYS 54 HA LYS 54 -0.906 -2.210 -8.468 407 HB2 LYS 54 HB2 LYS 54 -1.609 -3.650 -10.490 408 HB3 LYS 54 HB1 LYS 54 -2.710 -2.345 -10.859 409 HG2 LYS 54 HG2 LYS 54 0.147 -1.714 -10.478 410 HG3 LYS 54 HG1 LYS 54 -0.292 -2.571 -11.931 411 HD2 LYS 54 HD2 LYS 54 -0.346 -0.398 -12.719 412 HD3 LYS 54 HD1 LYS 54 -1.996 -0.484 -12.116 413 HE2 LYS 54 HE2 LYS 54 -1.536 0.763 -10.284 414 HE3 LYS 54 HE1 LYS 54 0.207 0.457 -10.312 415 HZ1 LYS 54 HZ1 LYS 54 0.134 1.833 -12.477 416 HZ2 LYS 54 HZ2 LYS 54 0.037 2.617 -11.027 417 HZ3 LYS 54 HZ3 LYS 54 -1.373 2.417 -11.944 418 H LYS 55 HN LYS 55 -4.253 -1.771 -9.269 419 HA LYS 55 HA LYS 55 -4.084 0.910 -9.645 420 HB2 LYS 55 HB2 LYS 55 -6.347 -0.870 -9.025 421 HB3 LYS 55 HB1 LYS 55 -6.619 0.862 -8.989 422 HG2 LYS 55 HG2 LYS 55 -5.469 -0.674 -11.282 423 HG3 LYS 55 HG1 LYS 55 -7.169 -0.211 -11.128 424 HD2 LYS 55 HD2 LYS 55 -4.799 1.691 -11.324 425 HD3 LYS 55 HD1 LYS 55 -5.937 1.333 -12.611 426 HE2 LYS 55 HE2 LYS 55 -6.626 2.650 -9.976 427 HE3 LYS 55 HE1 LYS 55 -6.446 3.464 -11.523 428 HZ1 LYS 55 HZ1 LYS 55 -8.536 1.441 -10.858 429 HZ2 LYS 55 HZ2 LYS 55 -8.312 2.140 -12.359 430 HZ3 LYS 55 HZ3 LYS 55 -8.752 3.094 -11.064 431 H LEU 56 HN LEU 56 -4.665 -0.892 -6.719 432 HA LEU 56 HA LEU 56 -5.381 1.310 -5.118 433 HB2 LEU 56 HB2 LEU 56 -5.778 -1.050 -4.469 434 HB3 LEU 56 HB1 LEU 56 -4.059 -1.247 -4.229 435 HG LEU 56 HG LEU 56 -4.120 0.480 -2.462 436 HD11 LEU 56 HD11 LEU 56 -6.070 1.736 -3.163 437 HD12 LEU 56 HD12 LEU 56 -6.278 1.145 -1.516 438 HD13 LEU 56 HD13 LEU 56 -7.102 0.341 -2.852 439 HD21 LEU 56 HD21 LEU 56 -5.992 -1.827 -2.068 440 HD22 LEU 56 HD22 LEU 56 -5.212 -0.898 -0.787 441 HD23 LEU 56 HD23 LEU 56 -4.238 -1.866 -1.896 442 H ALA 57 HN ALA 57 -2.275 -0.243 -5.783 443 HA ALA 57 HA ALA 57 -0.580 1.309 -4.144 444 HB1 ALA 57 HB1 ALA 57 0.178 -0.710 -5.339 445 HB2 ALA 57 HB2 ALA 57 1.201 0.678 -5.706 446 HB3 ALA 57 HB3 ALA 57 -0.009 0.145 -6.872 447 H GLU 58 HN GLU 58 -1.959 1.892 -7.274 448 HA GLU 58 HA GLU 58 -0.493 4.194 -7.988 449 HB2 GLU 58 HB2 GLU 58 -1.737 2.744 -9.560 450 HB3 GLU 58 HB1 GLU 58 -3.245 3.302 -8.859 451 HG2 GLU 58 HG2 GLU 58 -2.715 5.575 -9.623 452 HG3 GLU 58 HG1 GLU 58 -1.243 4.954 -10.369 453 H ILE 59 HN ILE 59 -3.273 3.674 -5.985 454 HA ILE 59 HA ILE 59 -3.948 6.475 -5.899 455 HB ILE 59 HB ILE 59 -5.095 4.097 -4.389 456 HG12 ILE 59 HG12 ILE 59 -6.376 5.605 -6.629 457 HG13 ILE 59 HG11 ILE 59 -5.221 4.320 -6.981 458 HG21 ILE 59 HG21 ILE 59 -5.530 6.202 -3.189 459 HG22 ILE 59 HG22 ILE 59 -7.016 5.651 -3.979 460 HG23 ILE 59 HG23 ILE 59 -6.072 6.953 -4.686 461 HD11 ILE 59 HD11 ILE 59 -6.633 2.787 -5.738 462 HD12 ILE 59 HD12 ILE 59 -7.445 3.494 -7.115 463 HD13 ILE 59 HD13 ILE 59 -7.816 4.075 -5.476 464 H LEU 60 HN LEU 60 -2.358 4.063 -3.873 465 HA LEU 60 HA LEU 60 -1.941 5.735 -1.637 466 HB2 LEU 60 HB2 LEU 60 -0.565 3.261 -2.618 467 HB3 LEU 60 HB1 LEU 60 0.223 4.208 -1.385 468 HG LEU 60 HG LEU 60 -0.929 2.351 -0.385 469 HD11 LEU 60 HD11 LEU 60 -2.362 4.916 0.245 470 HD12 LEU 60 HD12 LEU 60 -0.826 4.368 0.912 471 HD13 LEU 60 HD13 LEU 60 -2.302 3.473 1.259 472 HD21 LEU 60 HD21 LEU 60 -2.639 1.949 -2.052 473 HD22 LEU 60 HD22 LEU 60 -3.450 3.453 -1.603 474 HD23 LEU 60 HD23 LEU 60 -3.367 2.112 -0.453 475 H VAL 61 HN VAL 61 -0.045 5.203 -4.587 476 HA VAL 61 HA VAL 61 2.149 6.829 -3.777 477 HB VAL 61 HB VAL 61 2.122 4.927 -5.489 478 HG11 VAL 61 HG11 VAL 61 0.267 5.621 -6.810 479 HG12 VAL 61 HG12 VAL 61 1.713 5.441 -7.809 480 HG13 VAL 61 HG13 VAL 61 1.145 7.051 -7.352 481 HG21 VAL 61 HG21 VAL 61 4.110 6.288 -5.164 482 HG22 VAL 61 HG22 VAL 61 3.508 7.464 -6.345 483 HG23 VAL 61 HG23 VAL 61 3.896 5.811 -6.847 484 H ASN 62 HN ASN 62 -0.921 7.612 -4.648 485 HA ASN 62 HA ASN 62 -0.350 10.098 -6.081 486 HB2 ASN 62 HB2 ASN 62 -2.272 8.602 -6.715 487 HB3 ASN 62 HB1 ASN 62 -3.019 8.949 -5.166 488 HD21 ASN 62 HD21 ASN 62 -4.802 9.834 -6.034 489 HD22 ASN 62 HD22 ASN 62 -4.810 11.364 -6.833 490 H THR 63 HN THR 63 -0.868 8.963 -2.875 491 HA THR 63 HA THR 63 -1.589 11.646 -1.987 492 HB THR 63 HB THR 63 -2.296 10.407 0.143 493 HG1 THR 63 HG1 THR 63 -2.770 8.152 -1.376 494 HG21 THR 63 HG21 THR 63 -3.768 9.891 -2.447 495 HG22 THR 63 HG22 THR 63 -3.895 11.346 -1.452 496 HG23 THR 63 HG23 THR 63 -4.473 9.801 -0.831 497 H SER 64 HN SER 64 0.212 8.839 -0.748 498 HA SER 64 HA SER 64 1.779 10.699 0.871 499 HB2 SER 64 HB2 SER 64 1.687 7.689 0.953 500 HB3 SER 64 HB1 SER 64 2.336 8.774 2.187 501 HG SER 64 HG SER 64 -0.344 8.958 1.337 502 H SER 65 HN SER 65 4.187 9.949 1.108 503 HA SER 65 HA SER 65 5.264 9.571 -1.593 504 HB2 SER 65 HB2 SER 65 5.884 11.596 -0.109 505 HB3 SER 65 HB1 SER 65 6.785 10.432 0.867 506 HG SER 65 HG SER 65 8.181 10.099 -0.745 507 H GLU 66 HN GLU 66 7.107 8.251 -1.856 508 HA GLU 66 HA GLU 66 6.658 5.619 -1.354 509 HB2 GLU 66 HB2 GLU 66 8.874 5.134 -2.131 510 HB3 GLU 66 HB1 GLU 66 8.249 6.482 -3.052 511 HG2 GLU 66 HG2 GLU 66 10.271 6.609 -0.815 512 HG3 GLU 66 HG1 GLU 66 10.622 6.737 -2.536 513 H ASN 67 HN ASN 67 8.631 7.745 0.551 514 HA ASN 67 HA ASN 67 9.823 5.762 2.173 515 HB2 ASN 67 HB2 ASN 67 10.838 7.973 1.887 516 HB3 ASN 67 HB1 ASN 67 9.472 8.724 2.698 517 HD21 ASN 67 HD21 ASN 67 9.346 8.650 4.904 518 HD22 ASN 67 HD22 ASN 67 10.627 8.062 5.923 519 H TRP 68 HN TRP 68 6.821 7.489 2.484 520 HA TRP 68 HA TRP 68 6.504 6.299 5.104 521 HB2 TRP 68 HB2 TRP 68 5.850 8.696 4.716 522 HB3 TRP 68 HB1 TRP 68 4.558 8.106 3.671 523 HD1 TRP 68 HD1 TRP 68 5.578 8.229 7.365 524 HE1 TRP 68 HE1 TRP 68 3.527 7.642 8.794 525 HE3 TRP 68 HE3 TRP 68 2.375 6.900 3.636 526 HZ2 TRP 68 HZ2 TRP 68 0.893 6.740 8.386 527 HZ3 TRP 68 HZ3 TRP 68 0.135 6.188 4.209 528 HH2 TRP 68 HH2 TRP 68 -0.605 6.108 6.561 529 H ILE 69 HN ILE 69 5.214 6.077 1.841 530 HA ILE 69 HA ILE 69 3.022 4.376 2.370 531 HB ILE 69 HB ILE 69 4.730 4.349 -0.140 532 HG12 ILE 69 HG12 ILE 69 2.162 5.807 0.415 533 HG13 ILE 69 HG11 ILE 69 3.756 6.565 0.454 534 HG21 ILE 69 HG21 ILE 69 2.698 3.416 -1.216 535 HG22 ILE 69 HG22 ILE 69 1.905 3.379 0.364 536 HG23 ILE 69 HG23 ILE 69 3.303 2.363 0.067 537 HD11 ILE 69 HD11 ILE 69 2.622 7.007 -1.605 538 HD12 ILE 69 HD12 ILE 69 2.436 5.276 -1.904 539 HD13 ILE 69 HD13 ILE 69 4.052 6.010 -1.901 540 H ARG 70 HN ARG 70 6.415 3.698 1.851 541 HA ARG 70 HA ARG 70 6.265 0.922 1.691 542 HB2 ARG 70 HB2 ARG 70 8.639 0.915 2.190 543 HB3 ARG 70 HB1 ARG 70 8.297 2.344 1.226 544 HG2 ARG 70 HG2 ARG 70 8.311 3.704 3.227 545 HG3 ARG 70 HG1 ARG 70 8.707 2.277 4.184 546 HD2 ARG 70 HD2 ARG 70 10.742 1.987 2.845 547 HD3 ARG 70 HD1 ARG 70 10.350 3.469 1.969 548 HE ARG 70 HE ARG 70 10.289 4.129 4.616 549 HH11 ARG 70 HH11 ARG 70 12.637 3.127 2.194 550 HH12 ARG 70 HH12 ARG 70 14.014 3.559 3.098 551 HH21 ARG 70 HH21 ARG 70 12.161 4.839 5.878 552 HH22 ARG 70 HH22 ARG 70 13.724 4.644 5.253 553 H ASN 71 HN ASN 71 6.369 3.085 4.458 554 HA ASN 71 HA ASN 71 6.467 1.062 6.452 555 HB2 ASN 71 HB2 ASN 71 7.182 3.283 7.068 556 HB3 ASN 71 HB1 ASN 71 5.655 3.978 6.544 557 HD21 ASN 71 HD21 ASN 71 3.886 3.922 7.935 558 HD22 ASN 71 HD22 ASN 71 3.972 3.385 9.550 559 H ALA 72 HN ALA 72 3.937 2.985 4.972 560 HA ALA 72 HA ALA 72 1.745 2.186 6.428 561 HB1 ALA 72 HB1 ALA 72 0.384 2.823 4.517 562 HB2 ALA 72 HB2 ALA 72 1.807 2.775 3.475 563 HB3 ALA 72 HB3 ALA 72 1.696 3.979 4.757 564 H THR 73 HN THR 73 2.824 0.749 3.344 565 HA THR 73 HA THR 73 0.935 -1.405 3.508 566 HB THR 73 HB THR 73 1.868 -0.638 1.315 567 HG1 THR 73 HG1 THR 73 1.737 -3.236 2.161 568 HG21 THR 73 HG21 THR 73 4.194 -0.241 1.967 569 HG22 THR 73 HG22 THR 73 4.117 -1.374 0.617 570 HG23 THR 73 HG23 THR 73 4.422 -1.966 2.251 571 H VAL 74 HN VAL 74 4.323 -1.202 4.581 572 HA VAL 74 HA VAL 74 4.440 -3.934 5.207 573 HB VAL 74 HB VAL 74 5.934 -1.555 6.380 574 HG11 VAL 74 HG11 VAL 74 6.376 -4.482 6.994 575 HG12 VAL 74 HG12 VAL 74 5.767 -3.281 8.131 576 HG13 VAL 74 HG13 VAL 74 7.415 -3.155 7.511 577 HG21 VAL 74 HG21 VAL 74 6.497 -2.194 4.093 578 HG22 VAL 74 HG22 VAL 74 6.799 -3.851 4.622 579 HG23 VAL 74 HG23 VAL 74 7.833 -2.542 5.191 580 H ASN 75 HN ASN 75 3.483 -1.166 7.135 581 HA ASN 75 HA ASN 75 2.859 -2.505 9.538 582 HB2 ASN 75 HB2 ASN 75 3.221 -0.073 9.317 583 HB3 ASN 75 HB1 ASN 75 1.733 0.056 8.409 584 HD21 ASN 75 HD21 ASN 75 2.160 -1.975 11.261 585 HD22 ASN 75 HD22 ASN 75 1.077 -1.105 12.256 586 H ILE 76 HN ILE 76 0.703 -1.559 6.836 587 HA ILE 76 HA ILE 76 -1.695 -2.536 8.003 588 HB ILE 76 HB ILE 76 -1.083 -2.626 5.028 589 HG12 ILE 76 HG12 ILE 76 -0.742 -0.348 5.955 590 HG13 ILE 76 HG11 ILE 76 -2.077 -0.421 4.811 591 HG21 ILE 76 HG21 ILE 76 -3.525 -2.460 4.766 592 HG22 ILE 76 HG22 ILE 76 -3.701 -2.512 6.521 593 HG23 ILE 76 HG23 ILE 76 -3.047 -3.905 5.661 594 HD11 ILE 76 HD11 ILE 76 -2.328 -0.410 7.803 595 HD12 ILE 76 HD12 ILE 76 -3.649 -0.311 6.602 596 HD13 ILE 76 HD13 ILE 76 -2.466 0.988 6.737 597 H LEU 77 HN LEU 77 0.621 -4.134 5.857 598 HA LEU 77 HA LEU 77 -0.644 -6.595 5.758 599 HB2 LEU 77 HB2 LEU 77 2.151 -5.619 5.293 600 HB3 LEU 77 HB1 LEU 77 1.787 -7.326 5.204 601 HG LEU 77 HG LEU 77 0.383 -7.021 3.261 602 HD11 LEU 77 HD11 LEU 77 0.532 -4.077 3.583 603 HD12 LEU 77 HD12 LEU 77 -0.876 -5.100 3.861 604 HD13 LEU 77 HD13 LEU 77 -0.197 -4.956 2.237 605 HD21 LEU 77 HD21 LEU 77 2.782 -5.243 2.973 606 HD22 LEU 77 HD22 LEU 77 1.887 -6.005 1.657 607 HD23 LEU 77 HD23 LEU 77 2.776 -6.998 2.813 608 H GLU 78 HN GLU 78 1.714 -5.293 8.050 609 HA GLU 78 HA GLU 78 2.044 -7.623 9.621 610 HB2 GLU 78 HB2 GLU 78 2.262 -4.697 10.261 611 HB3 GLU 78 HB1 GLU 78 2.704 -5.896 11.439 612 HG2 GLU 78 HG2 GLU 78 4.391 -6.750 9.820 613 HG3 GLU 78 HG1 GLU 78 3.956 -5.418 8.749 614 H GLU 79 HN GLU 79 -0.242 -4.967 9.730 615 HA GLU 79 HA GLU 79 -1.678 -5.781 11.995 616 HB2 GLU 79 HB2 GLU 79 -2.434 -4.123 9.642 617 HB3 GLU 79 HB1 GLU 79 -3.536 -4.349 10.992 618 HG2 GLU 79 HG2 GLU 79 -0.782 -3.123 11.130 619 HG3 GLU 79 HG1 GLU 79 -2.303 -2.230 11.129 620 H MET 80 HN MET 80 -1.758 -6.846 8.695 621 HA MET 80 HA MET 80 -4.234 -8.329 8.999 622 HB2 MET 80 HB2 MET 80 -2.191 -8.272 6.763 623 HB3 MET 80 HB1 MET 80 -3.694 -9.176 6.711 624 HG2 MET 80 HG2 MET 80 -4.946 -7.088 6.846 625 HG3 MET 80 HG1 MET 80 -3.433 -6.187 6.925 626 HE1 MET 80 HE1 MET 80 -4.897 -8.532 3.225 627 HE2 MET 80 HE2 MET 80 -5.807 -8.385 4.729 628 HE3 MET 80 HE3 MET 80 -4.319 -9.335 4.682 629 H ASN 81 HN ASN 81 -1.185 -8.698 10.091 630 HA ASN 81 HA ASN 81 -0.007 -10.333 11.053 631 HB2 ASN 81 HB2 ASN 81 -2.217 -11.090 11.933 632 HB3 ASN 81 HB1 ASN 81 -2.413 -12.116 10.523 633 HD21 ASN 81 HD21 ASN 81 -2.619 -13.899 11.871 634 HD22 ASN 81 HD22 ASN 81 -1.276 -14.624 12.672 635 H LEU 82 HN LEU 82 -0.212 -9.870 8.115 636 HA LEU 82 HA LEU 82 0.444 -12.358 6.879 637 HB2 LEU 82 HB2 LEU 82 0.520 -9.508 5.959 638 HB3 LEU 82 HB1 LEU 82 1.041 -10.834 4.916 639 HG LEU 82 HG LEU 82 -1.727 -10.336 6.025 640 HD11 LEU 82 HD11 LEU 82 -1.079 -8.859 4.173 641 HD12 LEU 82 HD12 LEU 82 -2.340 -9.996 3.695 642 HD13 LEU 82 HD13 LEU 82 -0.674 -10.276 3.201 643 HD21 LEU 82 HD21 LEU 82 -2.397 -12.251 4.632 644 HD22 LEU 82 HD22 LEU 82 -1.326 -12.717 5.942 645 HD23 LEU 82 HD23 LEU 82 -0.701 -12.584 4.295 646 H THR 83 HN THR 83 2.399 -13.148 6.396 647 HA THR 83 HA THR 83 4.670 -11.607 7.368 648 HB THR 83 HB THR 83 5.766 -13.935 7.524 649 HG1 THR 83 HG1 THR 83 3.170 -14.908 7.959 650 HG21 THR 83 HG21 THR 83 4.879 -14.278 9.778 651 HG22 THR 83 HG22 THR 83 3.544 -13.177 9.426 652 HG23 THR 83 HG23 THR 83 5.210 -12.578 9.463 653 H GLU 84 HN GLU 84 4.140 -14.357 5.237 654 HA GLU 84 HA GLU 84 6.344 -14.472 3.765 655 HB2 GLU 84 HB2 GLU 84 4.922 -15.256 1.830 656 HB3 GLU 84 HB1 GLU 84 4.654 -16.071 3.369 657 HG2 GLU 84 HG2 GLU 84 2.691 -14.520 3.694 658 HG3 GLU 84 HG1 GLU 84 2.930 -13.994 2.036 659 H LEU 85 HN LEU 85 3.719 -12.484 2.443 660 HA LEU 85 HA LEU 85 5.579 -11.323 0.620 661 HB2 LEU 85 HB2 LEU 85 3.616 -9.960 -0.176 662 HB3 LEU 85 HB1 LEU 85 3.455 -11.697 -0.306 663 HG LEU 85 HG LEU 85 2.257 -11.512 1.926 664 HD11 LEU 85 HD11 LEU 85 1.913 -8.686 0.976 665 HD12 LEU 85 HD12 LEU 85 2.691 -9.234 2.462 666 HD13 LEU 85 HD13 LEU 85 0.954 -9.444 2.248 667 HD21 LEU 85 HD21 LEU 85 1.166 -12.252 -0.087 668 HD22 LEU 85 HD22 LEU 85 0.956 -10.584 -0.624 669 HD23 LEU 85 HD23 LEU 85 0.082 -11.172 0.791 670 H CYS 86 HN CYS 86 4.441 -10.421 3.705 671 HA CYS 86 HA CYS 86 4.984 -7.628 3.489 672 HB2 CYS 86 HB2 CYS 86 3.522 -8.695 5.272 673 HB3 CYS 86 HB1 CYS 86 4.993 -9.414 5.868 674 HG CYS 86 HG CYS 86 3.805 -6.369 6.551 675 H LYS 87 HN LYS 87 6.745 -10.490 4.464 676 HA LYS 87 HA LYS 87 9.178 -9.313 5.280 677 HB2 LYS 87 HB2 LYS 87 8.575 -12.016 4.083 678 HB3 LYS 87 HB1 LYS 87 10.097 -11.569 4.840 679 HG2 LYS 87 HG2 LYS 87 9.139 -11.462 6.977 680 HG3 LYS 87 HG1 LYS 87 7.498 -11.396 6.331 681 HD2 LYS 87 HD2 LYS 87 7.971 -13.600 7.267 682 HD3 LYS 87 HD1 LYS 87 7.717 -13.699 5.527 683 HE2 LYS 87 HE2 LYS 87 10.197 -13.609 5.270 684 HE3 LYS 87 HE1 LYS 87 10.299 -13.781 7.033 685 HZ1 LYS 87 HZ1 LYS 87 9.050 -15.687 5.149 686 HZ2 LYS 87 HZ2 LYS 87 9.105 -15.890 6.816 687 HZ3 LYS 87 HZ3 LYS 87 10.535 -15.899 5.913 688 H MET 88 HN MET 88 7.795 -10.141 2.212 689 HA MET 88 HA MET 88 10.179 -9.802 0.701 690 HB2 MET 88 HB2 MET 88 7.265 -9.841 -0.094 691 HB3 MET 88 HB1 MET 88 8.550 -9.633 -1.293 692 HG2 MET 88 HG2 MET 88 9.436 -11.854 -0.313 693 HG3 MET 88 HG1 MET 88 7.832 -11.997 0.399 694 HE1 MET 88 HE1 MET 88 5.673 -11.826 -2.997 695 HE2 MET 88 HE2 MET 88 6.168 -10.466 -1.986 696 HE3 MET 88 HE3 MET 88 5.529 -11.942 -1.252 697 H ALA 89 HN ALA 89 7.415 -7.785 1.470 698 HA ALA 89 HA ALA 89 8.171 -5.433 0.146 699 HB1 ALA 89 HB1 ALA 89 6.740 -5.659 2.793 700 HB2 ALA 89 HB2 ALA 89 5.969 -5.834 1.224 701 HB3 ALA 89 HB3 ALA 89 6.685 -4.283 1.687 702 H LYS 90 HN LYS 90 8.841 -6.551 3.425 703 HA LYS 90 HA LYS 90 10.385 -4.381 4.339 704 HB2 LYS 90 HB2 LYS 90 10.355 -7.282 5.167 705 HB3 LYS 90 HB1 LYS 90 11.291 -6.050 5.995 706 HG2 LYS 90 HG2 LYS 90 9.305 -4.926 6.687 707 HG3 LYS 90 HG1 LYS 90 8.306 -5.969 5.671 708 HD2 LYS 90 HD2 LYS 90 8.936 -7.913 6.979 709 HD3 LYS 90 HD1 LYS 90 10.026 -6.933 7.957 710 HE2 LYS 90 HE2 LYS 90 7.083 -6.422 7.755 711 HE3 LYS 90 HE1 LYS 90 7.776 -7.501 8.965 712 HZ1 LYS 90 HZ1 LYS 90 9.053 -5.645 9.830 713 HZ2 LYS 90 HZ2 LYS 90 7.421 -5.281 9.865 714 HZ3 LYS 90 HZ3 LYS 90 8.422 -4.585 8.693 715 H ALA 91 HN ALA 91 11.187 -6.779 2.050 716 HA ALA 91 HA ALA 91 14.045 -6.265 2.423 717 HB1 ALA 91 HB1 ALA 91 14.433 -8.331 1.207 718 HB2 ALA 91 HB2 ALA 91 12.697 -8.520 0.963 719 HB3 ALA 91 HB3 ALA 91 13.372 -8.615 2.586 720 H GLU 92 HN GLU 92 11.530 -5.222 0.641 721 HA GLU 92 HA GLU 92 13.313 -4.660 -1.605 722 HB2 GLU 92 HB2 GLU 92 10.415 -5.303 -1.675 723 HB3 GLU 92 HB1 GLU 92 11.231 -4.585 -3.072 724 HG2 GLU 92 HG2 GLU 92 12.828 -6.679 -2.686 725 HG3 GLU 92 HG1 GLU 92 11.400 -7.312 -1.890 726 H MET 93 HN MET 93 10.306 -3.460 -0.105 727 HA MET 93 HA MET 93 10.908 -0.816 -1.124 728 HB2 MET 93 HB2 MET 93 8.478 -1.924 0.319 729 HB3 MET 93 HB1 MET 93 8.728 -0.190 0.118 730 HG2 MET 93 HG2 MET 93 8.453 -2.294 -1.970 731 HG3 MET 93 HG1 MET 93 7.265 -1.077 -1.543 732 HE1 MET 93 HE1 MET 93 9.440 1.434 -1.143 733 HE2 MET 93 HE2 MET 93 7.843 1.635 -1.859 734 HE3 MET 93 HE3 MET 93 9.272 2.205 -2.719 735 H MET 94 HN MET 94 12.801 -1.710 0.592 736 HA MET 94 HA MET 94 12.532 0.311 2.656 737 HB2 MET 94 HB2 MET 94 13.624 -2.463 3.151 738 HB3 MET 94 HB1 MET 94 13.847 -1.108 4.246 739 HG2 MET 94 HG2 MET 94 11.201 -2.334 3.465 740 HG3 MET 94 HG1 MET 94 12.051 -2.626 4.976 741 HE1 MET 94 HE1 MET 94 12.432 -0.731 6.831 742 HE2 MET 94 HE2 MET 94 11.837 0.921 6.680 743 HE3 MET 94 HE3 MET 94 13.142 0.360 5.640 744 H GLU 95 HN GLU 95 13.596 1.463 1.089 745 HA GLU 95 HA GLU 95 16.425 0.857 0.714 746 HB2 GLU 95 HB2 GLU 95 16.384 2.576 -1.043 747 HB3 GLU 95 HB1 GLU 95 15.171 1.351 -1.344 748 HG2 GLU 95 HG2 GLU 95 14.599 4.027 -0.105 749 HG3 GLU 95 HG1 GLU 95 14.480 3.710 -1.834 750 H ASP 96 HN ASP 96 17.379 3.461 0.368 751 HA ASP 96 HA ASP 96 16.805 4.858 2.875 752 HB2 ASP 96 HB2 ASP 96 18.718 3.323 3.315 753 HB3 ASP 96 HB1 ASP 96 19.576 4.030 1.958 754 H GLY 97 HN GLY 97 16.751 7.027 2.485 755 HA2 GLY 97 HA2 GLY 97 18.429 8.344 0.644 756 HA3 GLY 97 HA1 GLY 97 16.880 8.020 -0.120 757 H GLN 98 HN GLN 98 15.071 8.472 1.820 758 HA GLN 98 HA GLN 98 15.607 11.240 2.681 759 HB2 GLN 98 HB2 GLN 98 12.999 10.193 1.533 760 HB3 GLN 98 HB1 GLN 98 13.258 11.808 2.168 761 HG2 GLN 98 HG2 GLN 98 14.613 10.623 -0.249 762 HG3 GLN 98 HG1 GLN 98 13.295 11.791 -0.270 763 HE21 GLN 98 HE21 GLN 98 14.378 13.370 1.950 764 HE22 GLN 98 HE22 GLN 98 15.749 14.191 1.331
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