NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
4581 | 1fcl | 5152 | cing | recoord | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 HT1 THR 1 15.186 3.228 5.557 2 2H THR 1 HT2 THR 1 16.059 4.278 4.546 3 3H THR 1 HT3 THR 1 15.662 2.714 4.012 4 HA THR 1 HA THR 1 13.706 4.887 4.583 5 HB THR 1 HB THR 1 14.699 3.636 2.000 6 HG1 THR 1 HG1 THR 1 16.303 4.931 2.555 7 1HG2 THR 1 HG21 THR 1 12.468 4.396 1.675 8 2HG2 THR 1 HG22 THR 1 13.493 5.691 1.058 9 3HG2 THR 1 HG23 THR 1 12.740 5.843 2.646 10 H THR 2 HN THR 2 11.594 4.162 4.652 11 HA THR 2 HA THR 2 11.100 1.265 4.029 12 HB THR 2 HB THR 2 9.691 3.001 6.075 13 HG1 THR 2 HG1 THR 2 11.081 1.918 7.564 14 1HG2 THR 2 HG21 THR 2 8.934 0.891 6.979 15 2HG2 THR 2 HG22 THR 2 9.964 -0.008 5.864 16 3HG2 THR 2 HG23 THR 2 8.581 0.899 5.251 17 H PHE 3 HN PHE 3 9.296 0.822 2.765 18 HA PHE 3 HA PHE 3 8.110 2.952 1.199 19 1HB PHE 3 HB2 PHE 3 7.349 0.033 1.588 20 2HB PHE 3 HB1 PHE 3 6.787 1.063 0.272 21 HD1 PHE 3 HD1 PHE 3 9.034 2.524 -0.668 22 HD2 PHE 3 HD2 PHE 3 8.939 -1.504 0.831 23 HE1 PHE 3 HE1 PHE 3 11.086 1.995 -1.956 24 HE2 PHE 3 HE2 PHE 3 10.991 -2.029 -0.457 25 HZ PHE 3 HZ PHE 3 12.065 -0.280 -1.849 26 H LYS 4 HN LYS 4 5.713 3.354 1.127 27 HA LYS 4 HA LYS 4 4.290 2.815 3.699 28 1HB LYS 4 HB2 LYS 4 5.554 5.021 3.708 29 2HB LYS 4 HB1 LYS 4 4.498 5.544 2.405 30 1HG LYS 4 HG2 LYS 4 2.524 5.159 3.821 31 2HG LYS 4 HG1 LYS 4 3.568 4.626 5.137 32 1HD LYS 4 HD2 LYS 4 4.240 6.749 5.647 33 2HD LYS 4 HD1 LYS 4 4.235 7.264 3.961 34 1HE LYS 4 HE2 LYS 4 2.304 8.367 4.462 35 2HE LYS 4 HE1 LYS 4 1.532 6.769 4.511 36 1HZ LYS 4 HZ1 LYS 4 2.361 6.585 6.841 37 2HZ LYS 4 HZ2 LYS 4 1.180 7.786 6.619 38 3HZ LYS 4 HZ3 LYS 4 2.817 8.216 6.764 39 H LEU 5 HN LEU 5 2.010 2.851 3.488 40 HA LEU 5 HA LEU 5 0.828 3.477 0.834 41 1HB LEU 5 HB2 LEU 5 1.639 0.971 1.272 42 2HB LEU 5 HB1 LEU 5 0.120 0.881 2.156 43 HG LEU 5 HG LEU 5 -0.245 2.212 -0.414 44 1HD1 LEU 5 HD11 LEU 5 0.353 0.538 -1.933 45 2HD1 LEU 5 HD12 LEU 5 0.446 -0.706 -0.675 46 3HD1 LEU 5 HD13 LEU 5 1.715 0.517 -0.806 47 1HD2 LEU 5 HD21 LEU 5 -1.384 -0.308 0.837 48 2HD2 LEU 5 HD22 LEU 5 -2.016 0.471 -0.614 49 3HD2 LEU 5 HD23 LEU 5 -2.075 1.312 0.936 50 H ILE 6 HN ILE 6 -1.224 4.317 1.070 51 HA ILE 6 HA ILE 6 -2.350 4.402 3.839 52 HB ILE 6 HB ILE 6 -2.658 6.149 1.382 53 1HG1 ILE 6 HG12 ILE 6 -0.474 6.282 2.550 54 2HG1 ILE 6 HG11 ILE 6 -1.386 7.783 2.707 55 1HG2 ILE 6 HG21 ILE 6 -4.636 6.737 2.338 56 2HG2 ILE 6 HG22 ILE 6 -3.631 7.612 3.493 57 3HG2 ILE 6 HG23 ILE 6 -4.217 5.994 3.882 58 1HD1 ILE 6 HD11 ILE 6 -1.122 7.603 4.940 59 2HD1 ILE 6 HD12 ILE 6 -0.448 5.981 4.782 60 3HD1 ILE 6 HD13 ILE 6 -2.194 6.203 4.891 61 H ILE 7 HN ILE 7 -4.262 3.358 4.208 62 HA ILE 7 HA ILE 7 -5.589 1.907 2.024 63 HB ILE 7 HB ILE 7 -6.175 2.186 4.993 64 1HG1 ILE 7 HG12 ILE 7 -4.791 -0.077 3.526 65 2HG1 ILE 7 HG11 ILE 7 -3.915 1.230 4.324 66 1HG2 ILE 7 HG21 ILE 7 -8.146 1.378 3.863 67 2HG2 ILE 7 HG22 ILE 7 -7.366 -0.016 4.608 68 3HG2 ILE 7 HG23 ILE 7 -7.193 0.270 2.877 69 1HD1 ILE 7 HD11 ILE 7 -5.517 -0.988 5.524 70 2HD1 ILE 7 HD12 ILE 7 -5.509 0.567 6.356 71 3HD1 ILE 7 HD13 ILE 7 -3.993 -0.285 6.065 72 H ASN 8 HN ASN 8 -7.098 2.940 0.790 73 HA ASN 8 HA ASN 8 -8.722 5.133 2.027 74 1HB ASN 8 HB2 ASN 8 -7.732 4.477 -0.746 75 2HB ASN 8 HB1 ASN 8 -9.093 5.577 -0.524 76 1HD2 ASN 8 HD21 ASN 8 -7.729 7.379 -1.326 77 2HD2 ASN 8 HD22 ASN 8 -6.544 8.071 -0.313 78 H GLY 9 HN GLY 9 -9.599 2.649 2.725 79 1HA GLY 9 HA2 GLY 9 -11.563 1.658 0.777 80 2HA GLY 9 HA1 GLY 9 -11.286 1.005 2.396 81 H LYS 10 HN LYS 10 -13.832 1.795 1.056 82 HA LYS 10 HA LYS 10 -14.918 4.215 1.997 83 1HB LYS 10 HB2 LYS 10 -16.187 1.485 1.627 84 2HB LYS 10 HB1 LYS 10 -17.081 3.003 1.728 85 1HG LYS 10 HG2 LYS 10 -15.582 3.801 -0.217 86 2HG LYS 10 HG1 LYS 10 -15.169 2.098 -0.427 87 1HD LYS 10 HD2 LYS 10 -17.266 1.539 -1.175 88 2HD LYS 10 HD1 LYS 10 -18.063 2.745 -0.164 89 1HE LYS 10 HE2 LYS 10 -18.321 3.825 -2.187 90 2HE LYS 10 HE1 LYS 10 -16.669 4.377 -1.845 91 1HZ LYS 10 HZ1 LYS 10 -17.446 1.953 -3.379 92 2HZ LYS 10 HZ2 LYS 10 -15.852 2.339 -2.936 93 3HZ LYS 10 HZ3 LYS 10 -16.708 3.347 -4.002 94 H THR 11 HN THR 11 -14.446 1.143 3.683 95 HA THR 11 HA THR 11 -15.574 2.380 6.176 96 HB THR 11 HB THR 11 -15.312 -0.545 5.409 97 HG1 THR 11 HG1 THR 11 -17.494 -0.395 4.915 98 1HG2 THR 11 HG21 THR 11 -16.616 0.945 7.685 99 2HG2 THR 11 HG22 THR 11 -15.462 -0.386 7.767 100 3HG2 THR 11 HG23 THR 11 -17.118 -0.685 7.239 101 H LEU 12 HN LEU 12 -12.929 0.469 4.785 102 HA LEU 12 HA LEU 12 -11.467 0.567 7.390 103 1HB LEU 12 HB2 LEU 12 -11.101 -1.001 4.818 104 2HB LEU 12 HB1 LEU 12 -10.029 -1.134 6.211 105 HG LEU 12 HG LEU 12 -12.453 -1.468 7.416 106 1HD1 LEU 12 HD11 LEU 12 -13.864 -2.867 6.051 107 2HD1 LEU 12 HD12 LEU 12 -12.670 -2.896 4.752 108 3HD1 LEU 12 HD13 LEU 12 -13.531 -1.403 5.127 109 1HD2 LEU 12 HD21 LEU 12 -10.702 -3.569 6.101 110 2HD2 LEU 12 HD22 LEU 12 -11.927 -3.919 7.319 111 3HD2 LEU 12 HD23 LEU 12 -10.528 -2.929 7.735 112 H LYS 13 HN LYS 13 -9.696 1.893 7.598 113 HA LYS 13 HA LYS 13 -8.284 2.884 5.178 114 1HB LYS 13 HB2 LYS 13 -9.878 4.504 7.164 115 2HB LYS 13 HB1 LYS 13 -8.557 5.238 6.254 116 1HG LYS 13 HG2 LYS 13 -9.630 4.523 4.138 117 2HG LYS 13 HG1 LYS 13 -10.966 3.833 5.061 118 1HD LYS 13 HD2 LYS 13 -11.848 5.921 4.595 119 2HD LYS 13 HD1 LYS 13 -11.035 6.271 6.121 120 1HE LYS 13 HE2 LYS 13 -8.962 6.757 4.517 121 2HE LYS 13 HE1 LYS 13 -10.256 7.066 3.341 122 1HZ LYS 13 HZ1 LYS 13 -9.864 9.080 4.542 123 2HZ LYS 13 HZ2 LYS 13 -9.961 8.280 6.037 124 3HZ LYS 13 HZ3 LYS 13 -11.347 8.449 5.069 125 H GLY 14 HN GLY 14 -6.532 4.607 6.188 126 1HA GLY 14 HA2 GLY 14 -5.279 4.880 8.428 127 2HA GLY 14 HA1 GLY 14 -5.194 3.118 8.403 128 H GLU 15 HN GLU 15 -2.856 3.275 8.363 129 HA GLU 15 HA GLU 15 -1.799 3.703 5.610 130 1HB GLU 15 HB2 GLU 15 0.062 5.044 6.566 131 2HB GLU 15 HB1 GLU 15 -1.500 5.804 6.864 132 1HG GLU 15 HG2 GLU 15 -0.703 5.928 9.007 133 2HG GLU 15 HG1 GLU 15 -1.309 4.275 9.092 134 H THR 16 HN THR 16 0.491 2.781 5.455 135 HA THR 16 HA THR 16 1.337 0.889 7.534 136 HB THR 16 HB THR 16 -0.566 -0.280 6.506 137 HG1 THR 16 HG1 THR 16 0.508 -2.107 6.335 138 1HG2 THR 16 HG21 THR 16 0.940 0.302 3.946 139 2HG2 THR 16 HG22 THR 16 -0.731 0.707 4.345 140 3HG2 THR 16 HG23 THR 16 -0.278 -0.971 4.053 141 H THR 17 HN THR 17 3.454 0.088 7.131 142 HA THR 17 HA THR 17 4.759 0.965 4.580 143 HB THR 17 HB THR 17 6.716 1.611 6.042 144 HG1 THR 17 HG1 THR 17 4.780 1.392 8.100 145 1HG2 THR 17 HG21 THR 17 4.043 2.984 6.317 146 2HG2 THR 17 HG22 THR 17 5.388 3.410 5.257 147 3HG2 THR 17 HG23 THR 17 5.517 3.675 6.996 148 H THR 18 HN THR 18 6.689 -0.313 4.064 149 HA THR 18 HA THR 18 7.062 -2.791 5.656 150 HB THR 18 HB THR 18 5.684 -2.459 3.087 151 HG1 THR 18 HG1 THR 18 4.921 -3.682 4.809 152 1HG2 THR 18 HG21 THR 18 7.935 -4.497 3.135 153 2HG2 THR 18 HG22 THR 18 7.894 -3.040 2.140 154 3HG2 THR 18 HG23 THR 18 6.707 -4.320 1.879 155 H GLU 19 HN GLU 19 9.078 -3.965 4.835 156 HA GLU 19 HA GLU 19 11.109 -2.017 3.789 157 1HB GLU 19 HB2 GLU 19 11.291 -2.516 6.217 158 2HB GLU 19 HB1 GLU 19 11.401 -4.236 5.844 159 1HG GLU 19 HG2 GLU 19 13.557 -4.075 5.090 160 2HG GLU 19 HG1 GLU 19 13.307 -2.468 4.407 161 H ALA 20 HN ALA 20 11.774 -2.709 1.790 162 HA ALA 20 HA ALA 20 12.444 -5.564 1.374 163 1HB ALA 20 HB1 ALA 20 10.202 -5.729 0.747 164 2HB ALA 20 HB2 ALA 20 10.950 -5.315 -0.795 165 3HB ALA 20 HB3 ALA 20 10.145 -4.067 0.158 166 H VAL 21 HN VAL 21 13.212 -5.789 -1.041 167 HA VAL 21 HA VAL 21 15.446 -4.093 -1.493 168 HB VAL 21 HB VAL 21 15.498 -5.240 -3.695 169 1HG1 VAL 21 HG11 VAL 21 14.525 -7.253 -1.679 170 2HG1 VAL 21 HG12 VAL 21 16.024 -6.365 -1.404 171 3HG1 VAL 21 HG13 VAL 21 15.855 -7.392 -2.829 172 1HG2 VAL 21 HG21 VAL 21 13.270 -5.294 -4.459 173 2HG2 VAL 21 HG22 VAL 21 12.654 -5.903 -2.924 174 3HG2 VAL 21 HG23 VAL 21 13.563 -6.969 -3.995 175 H ASP 22 HN ASP 22 12.165 -3.983 -2.873 176 HA ASP 22 HA ASP 22 12.573 -1.137 -3.602 177 1HB ASP 22 HB2 ASP 22 11.785 -3.332 -5.551 178 2HB ASP 22 HB1 ASP 22 11.826 -1.610 -5.927 179 H ALA 23 HN ALA 23 10.467 -0.104 -4.129 180 HA ALA 23 HA ALA 23 8.343 -0.883 -2.380 181 1HB ALA 23 HB1 ALA 23 8.338 1.368 -2.966 182 2HB ALA 23 HB2 ALA 23 7.111 0.766 -4.080 183 3HB ALA 23 HB3 ALA 23 8.760 1.034 -4.645 184 H ALA 24 HN ALA 24 9.065 -1.731 -5.715 185 HA ALA 24 HA ALA 24 6.502 -2.681 -6.551 186 1HB ALA 24 HB1 ALA 24 8.298 -2.386 -8.123 187 2HB ALA 24 HB2 ALA 24 7.977 -4.119 -8.073 188 3HB ALA 24 HB3 ALA 24 9.360 -3.453 -7.205 189 H THR 25 HN THR 25 9.205 -4.354 -4.925 190 HA THR 25 HA THR 25 7.902 -6.921 -4.728 191 HB THR 25 HB THR 25 10.185 -5.551 -3.265 192 HG1 THR 25 HG1 THR 25 10.061 -7.600 -5.219 193 1HG2 THR 25 HG21 THR 25 9.381 -8.474 -3.108 194 2HG2 THR 25 HG22 THR 25 9.172 -7.298 -1.806 195 3HG2 THR 25 HG23 THR 25 10.795 -7.739 -2.349 196 H ALA 26 HN ALA 26 8.339 -4.247 -2.373 197 HA ALA 26 HA ALA 26 6.924 -5.427 -0.212 198 1HB ALA 26 HB1 ALA 26 6.582 -2.944 0.408 199 2HB ALA 26 HB2 ALA 26 7.404 -2.576 -1.113 200 3HB ALA 26 HB3 ALA 26 8.248 -3.470 0.151 201 H GLU 27 HN GLU 27 5.715 -3.001 -2.552 202 HA GLU 27 HA GLU 27 3.065 -2.769 -1.873 203 1HB GLU 27 HB2 GLU 27 4.260 -1.648 -3.740 204 2HB GLU 27 HB1 GLU 27 4.182 -3.143 -4.671 205 1HG GLU 27 HG2 GLU 27 1.576 -2.909 -4.073 206 2HG GLU 27 HG1 GLU 27 2.016 -1.202 -4.020 207 H LYS 28 HN LYS 28 4.466 -5.570 -3.584 208 HA LYS 28 HA LYS 28 1.987 -6.879 -4.247 209 1HB LYS 28 HB2 LYS 28 4.731 -8.003 -3.548 210 2HB LYS 28 HB1 LYS 28 3.463 -8.878 -4.405 211 1HG LYS 28 HG2 LYS 28 3.705 -7.611 -6.341 212 2HG LYS 28 HG1 LYS 28 4.376 -6.228 -5.475 213 1HD LYS 28 HD2 LYS 28 6.339 -7.027 -6.360 214 2HD LYS 28 HD1 LYS 28 6.286 -8.044 -4.920 215 1HE LYS 28 HE2 LYS 28 5.589 -9.933 -6.115 216 2HE LYS 28 HE1 LYS 28 4.910 -8.963 -7.438 217 1HZ LYS 28 HZ1 LYS 28 7.020 -9.872 -8.126 218 2HZ LYS 28 HZ2 LYS 28 7.789 -9.238 -6.750 219 3HZ LYS 28 HZ3 LYS 28 7.174 -8.193 -7.941 220 H VAL 29 HN VAL 29 4.138 -7.037 -1.420 221 HA VAL 29 HA VAL 29 2.532 -8.927 0.093 222 HB VAL 29 HB VAL 29 4.737 -6.922 0.665 223 1HG1 VAL 29 HG11 VAL 29 4.883 -7.773 2.968 224 2HG1 VAL 29 HG12 VAL 29 3.460 -8.781 2.700 225 3HG1 VAL 29 HG13 VAL 29 3.308 -7.020 2.694 226 1HG2 VAL 29 HG21 VAL 29 4.475 -9.881 0.321 227 2HG2 VAL 29 HG22 VAL 29 5.744 -9.274 1.386 228 3HG2 VAL 29 HG23 VAL 29 5.704 -8.784 -0.308 229 H LEU 30 HN LEU 30 2.682 -5.374 -0.166 230 HA LEU 30 HA LEU 30 0.892 -4.812 2.001 231 1HB LEU 30 HB2 LEU 30 1.780 -3.390 -0.515 232 2HB LEU 30 HB1 LEU 30 0.619 -2.643 0.570 233 HG LEU 30 HG LEU 30 3.188 -2.126 0.829 234 1HD1 LEU 30 HD11 LEU 30 1.596 -1.193 2.346 235 2HD1 LEU 30 HD12 LEU 30 2.885 -1.918 3.316 236 3HD1 LEU 30 HD13 LEU 30 1.338 -2.755 3.128 237 1HD2 LEU 30 HD21 LEU 30 2.964 -4.785 2.247 238 2HD2 LEU 30 HD22 LEU 30 4.167 -3.584 2.655 239 3HD2 LEU 30 HD23 LEU 30 4.147 -4.276 1.046 240 H LYS 31 HN LYS 31 0.437 -5.659 -1.386 241 HA LYS 31 HA LYS 31 -2.378 -5.089 -1.644 242 1HB LYS 31 HB2 LYS 31 -0.447 -5.893 -3.323 243 2HB LYS 31 HB1 LYS 31 -1.040 -7.477 -2.888 244 1HG LYS 31 HG2 LYS 31 -2.919 -5.293 -3.789 245 2HG LYS 31 HG1 LYS 31 -2.116 -6.353 -4.946 246 1HD LYS 31 HD2 LYS 31 -3.918 -7.244 -2.671 247 2HD LYS 31 HD1 LYS 31 -4.336 -7.244 -4.383 248 1HE LYS 31 HE2 LYS 31 -1.888 -8.649 -4.211 249 2HE LYS 31 HE1 LYS 31 -2.894 -9.261 -2.878 250 1HZ LYS 31 HZ1 LYS 31 -4.706 -9.613 -4.387 251 2HZ LYS 31 HZ2 LYS 31 -3.338 -10.385 -5.031 252 3HZ LYS 31 HZ3 LYS 31 -3.857 -8.899 -5.670 253 H GLN 32 HN GLN 32 -0.534 -7.952 -0.648 254 HA GLN 32 HA GLN 32 -2.648 -9.775 -0.162 255 1HB GLN 32 HB2 GLN 32 0.141 -9.323 0.750 256 2HB GLN 32 HB1 GLN 32 -0.843 -10.419 1.720 257 1HG GLN 32 HG2 GLN 32 -1.341 -11.784 -0.229 258 2HG GLN 32 HG1 GLN 32 -0.497 -10.644 -1.279 259 1HE2 GLN 32 HE21 GLN 32 0.048 -12.915 1.447 260 2HE2 GLN 32 HE22 GLN 32 1.696 -13.180 1.098 261 H TYR 33 HN TYR 33 -1.246 -7.252 1.916 262 HA TYR 33 HA TYR 33 -2.790 -7.782 4.296 263 1HB TYR 33 HB2 TYR 33 -0.773 -6.389 4.245 264 2HB TYR 33 HB1 TYR 33 -1.548 -5.256 3.138 265 HD1 TYR 33 HD1 TYR 33 -1.700 -6.697 6.545 266 HD2 TYR 33 HD2 TYR 33 -2.998 -3.543 3.940 267 HE1 TYR 33 HE1 TYR 33 -2.664 -5.505 8.479 268 HE2 TYR 33 HE2 TYR 33 -3.960 -2.339 5.880 269 HH TYR 33 HH TYR 33 -4.858 -3.337 8.403 270 H ILE 34 HN ILE 34 -3.314 -5.765 1.431 271 HA ILE 34 HA ILE 34 -5.802 -4.557 2.259 272 HB ILE 34 HB ILE 34 -4.605 -5.164 -0.463 273 1HG1 ILE 34 HG12 ILE 34 -3.281 -3.775 1.280 274 2HG1 ILE 34 HG11 ILE 34 -3.471 -3.097 -0.330 275 1HG2 ILE 34 HG21 ILE 34 -6.656 -4.509 -1.183 276 2HG2 ILE 34 HG22 ILE 34 -6.066 -2.891 -0.803 277 3HG2 ILE 34 HG23 ILE 34 -7.068 -3.759 0.359 278 1HD1 ILE 34 HD11 ILE 34 -3.913 -1.579 1.748 279 2HD1 ILE 34 HD12 ILE 34 -5.448 -2.443 1.846 280 3HD1 ILE 34 HD13 ILE 34 -5.048 -1.519 0.398 281 H ASN 35 HN ASN 35 -4.934 -7.619 0.757 282 HA ASN 35 HA ASN 35 -7.444 -8.423 -0.313 283 1HB ASN 35 HB2 ASN 35 -5.144 -9.472 -0.565 284 2HB ASN 35 HB1 ASN 35 -5.367 -10.168 1.040 285 1HD2 ASN 35 HD21 ASN 35 -5.927 -12.335 0.761 286 2HD2 ASN 35 HD22 ASN 35 -7.068 -12.907 -0.359 287 H ASP 36 HN ASP 36 -6.246 -8.370 2.995 288 HA ASP 36 HA ASP 36 -8.355 -10.079 4.085 289 1HB ASP 36 HB2 ASP 36 -6.222 -8.244 5.196 290 2HB ASP 36 HB1 ASP 36 -7.357 -9.093 6.247 291 H ASN 37 HN ASN 37 -7.727 -6.577 3.899 292 HA ASN 37 HA ASN 37 -10.114 -5.831 5.401 293 1HB ASN 37 HB2 ASN 37 -8.197 -4.341 3.577 294 2HB ASN 37 HB1 ASN 37 -9.449 -3.554 4.545 295 1HD2 ASN 37 HD21 ASN 37 -7.925 -2.451 5.945 296 2HD2 ASN 37 HD22 ASN 37 -6.961 -3.299 7.068 297 H GLY 38 HN GLY 38 -9.321 -6.376 2.014 298 1HA GLY 38 HA2 GLY 38 -10.840 -6.748 0.230 299 2HA GLY 38 HA1 GLY 38 -12.168 -6.323 1.311 300 H ILE 39 HN ILE 39 -9.330 -4.293 0.853 301 HA ILE 39 HA ILE 39 -11.095 -2.246 -0.453 302 HB ILE 39 HB ILE 39 -8.648 -1.948 1.324 303 1HG1 ILE 39 HG12 ILE 39 -10.615 -2.790 2.554 304 2HG1 ILE 39 HG11 ILE 39 -10.265 -1.121 3.009 305 1HG2 ILE 39 HG21 ILE 39 -8.787 -0.062 -0.166 306 2HG2 ILE 39 HG22 ILE 39 -9.414 0.462 1.397 307 3HG2 ILE 39 HG23 ILE 39 -10.527 0.079 0.084 308 1HD1 ILE 39 HD11 ILE 39 -12.630 -2.237 1.665 309 2HD1 ILE 39 HD12 ILE 39 -11.984 -0.803 0.868 310 3HD1 ILE 39 HD13 ILE 39 -12.455 -0.731 2.566 311 H ASP 40 HN ASP 40 -10.356 -3.496 -2.488 312 HA ASP 40 HA ASP 40 -7.653 -2.532 -3.373 313 1HB ASP 40 HB2 ASP 40 -8.338 -5.077 -3.036 314 2HB ASP 40 HB1 ASP 40 -9.089 -4.852 -4.620 315 H GLY 41 HN GLY 41 -7.824 -0.963 -4.923 316 1HA GLY 41 HA2 GLY 41 -9.848 -1.235 -7.055 317 2HA GLY 41 HA1 GLY 41 -9.967 0.219 -6.059 318 H GLU 42 HN GLU 42 -8.165 1.727 -6.092 319 HA GLU 42 HA GLU 42 -6.307 1.372 -8.420 320 1HB GLU 42 HB2 GLU 42 -8.415 3.340 -7.868 321 2HB GLU 42 HB1 GLU 42 -6.862 4.097 -8.226 322 1HG GLU 42 HG2 GLU 42 -6.837 3.351 -10.390 323 2HG GLU 42 HG1 GLU 42 -7.654 1.840 -9.989 324 H TRP 43 HN TRP 43 -4.243 1.434 -7.649 325 HA TRP 43 HA TRP 43 -3.655 2.881 -5.110 326 1HB TRP 43 HB2 TRP 43 -2.134 0.911 -6.848 327 2HB TRP 43 HB1 TRP 43 -1.451 1.659 -5.416 328 HD1 TRP 43 HD1 TRP 43 -5.117 0.493 -5.435 329 HE1 TRP 43 HE1 TRP 43 -5.335 -1.499 -3.836 330 HE3 TRP 43 HE3 TRP 43 -0.214 -0.233 -4.289 331 HZ2 TRP 43 HZ2 TRP 43 -3.661 -3.160 -2.239 332 HZ3 TRP 43 HZ3 TRP 43 0.452 -2.020 -2.697 333 HH2 TRP 43 HH2 TRP 43 -1.260 -3.479 -1.674 334 H THR 44 HN THR 44 -1.584 4.173 -5.107 335 HA THR 44 HA THR 44 -0.675 5.207 -7.727 336 HB THR 44 HB THR 44 -1.164 7.536 -7.049 337 HG1 THR 44 HG1 THR 44 -2.572 7.774 -5.212 338 1HG2 THR 44 HG21 THR 44 -3.491 7.496 -7.522 339 2HG2 THR 44 HG22 THR 44 -3.697 5.917 -6.766 340 3HG2 THR 44 HG23 THR 44 -2.842 6.054 -8.302 341 H TYR 45 HN TYR 45 1.496 5.569 -7.601 342 HA TYR 45 HA TYR 45 2.840 5.294 -4.984 343 1HB TYR 45 HB2 TYR 45 3.589 4.049 -6.973 344 2HB TYR 45 HB1 TYR 45 3.830 5.560 -7.847 345 HD1 TYR 45 HD1 TYR 45 4.752 4.218 -4.456 346 HD2 TYR 45 HD2 TYR 45 6.052 6.199 -8.038 347 HE1 TYR 45 HE1 TYR 45 7.043 4.396 -3.526 348 HE2 TYR 45 HE2 TYR 45 8.343 6.379 -7.107 349 HH TYR 45 HH TYR 45 9.455 4.609 -4.611 350 H ASP 46 HN ASP 46 4.559 6.893 -4.383 351 HA ASP 46 HA ASP 46 4.170 9.624 -5.546 352 1HB ASP 46 HB2 ASP 46 4.263 8.941 -2.584 353 2HB ASP 46 HB1 ASP 46 4.019 10.539 -3.281 354 H ASP 47 HN ASP 47 6.130 10.537 -5.991 355 HA ASP 47 HA ASP 47 8.618 9.193 -5.317 356 1HB ASP 47 HB2 ASP 47 8.165 10.462 -7.406 357 2HB ASP 47 HB1 ASP 47 8.058 11.948 -6.462 358 H ALA 48 HN ALA 48 6.640 11.286 -3.504 359 HA ALA 48 HA ALA 48 8.429 13.054 -2.208 360 1HB ALA 48 HB1 ALA 48 6.171 13.380 -1.739 361 2HB ALA 48 HB2 ALA 48 6.672 12.539 -0.272 362 3HB ALA 48 HB3 ALA 48 5.856 11.652 -1.562 363 H THR 49 HN THR 49 7.179 10.121 -0.615 364 HA THR 49 HA THR 49 9.939 9.542 0.409 365 HB THR 49 HB THR 49 8.558 10.737 2.084 366 HG1 THR 49 HG1 THR 49 9.950 9.078 2.794 367 1HG2 THR 49 HG21 THR 49 6.499 9.596 2.946 368 2HG2 THR 49 HG22 THR 49 6.635 8.443 1.616 369 3HG2 THR 49 HG23 THR 49 6.340 10.149 1.277 370 H LYS 50 HN LYS 50 8.526 8.321 -1.827 371 HA LYS 50 HA LYS 50 7.978 6.198 -2.670 372 1HB LYS 50 HB2 LYS 50 9.422 5.390 -0.123 373 2HB LYS 50 HB1 LYS 50 9.118 4.332 -1.500 374 1HG LYS 50 HG2 LYS 50 10.529 5.622 -2.930 375 2HG LYS 50 HG1 LYS 50 10.615 6.945 -1.767 376 1HD LYS 50 HD2 LYS 50 12.224 5.919 -0.520 377 2HD LYS 50 HD1 LYS 50 11.507 4.321 -0.729 378 1HE LYS 50 HE2 LYS 50 12.389 4.276 -3.076 379 2HE LYS 50 HE1 LYS 50 13.215 5.813 -2.752 380 1HZ LYS 50 HZ1 LYS 50 14.298 4.783 -0.845 381 2HZ LYS 50 HZ2 LYS 50 14.673 3.943 -2.273 382 3HZ LYS 50 HZ3 LYS 50 13.535 3.307 -1.184 383 H THR 51 HN THR 51 5.820 7.354 -1.496 384 HA THR 51 HA THR 51 4.646 5.458 0.470 385 HB THR 51 HB THR 51 3.163 7.775 -0.723 386 HG1 THR 51 HG1 THR 51 4.329 9.157 0.724 387 1HG2 THR 51 HG21 THR 51 3.402 7.586 2.176 388 2HG2 THR 51 HG22 THR 51 2.820 6.080 1.466 389 3HG2 THR 51 HG23 THR 51 1.955 7.588 1.170 390 H TRP 52 HN TRP 52 2.011 5.422 -0.217 391 HA TRP 52 HA TRP 52 1.687 4.713 -3.067 392 1HB TRP 52 HB2 TRP 52 1.767 2.779 -0.760 393 2HB TRP 52 HB1 TRP 52 0.817 2.424 -2.197 394 HD1 TRP 52 HD1 TRP 52 4.352 2.549 -0.922 395 HE1 TRP 52 HE1 TRP 52 5.953 1.741 -2.782 396 HE3 TRP 52 HE3 TRP 52 1.102 2.363 -4.806 397 HZ2 TRP 52 HZ2 TRP 52 5.842 1.094 -5.581 398 HZ3 TRP 52 HZ3 TRP 52 1.848 1.648 -7.068 399 HH2 TRP 52 HH2 TRP 52 4.216 1.012 -7.456 400 H THR 53 HN THR 53 -0.689 3.439 -3.025 401 HA THR 53 HA THR 53 -2.547 4.629 -1.083 402 HB THR 53 HB THR 53 -2.776 5.342 -4.018 403 HG1 THR 53 HG1 THR 53 -1.353 6.819 -3.660 404 1HG2 THR 53 HG21 THR 53 -4.202 7.196 -2.934 405 2HG2 THR 53 HG22 THR 53 -4.165 6.195 -1.483 406 3HG2 THR 53 HG23 THR 53 -4.880 5.569 -2.968 407 H VAL 54 HN VAL 54 -4.873 3.986 -1.715 408 HA VAL 54 HA VAL 54 -5.316 1.843 -3.616 409 HB VAL 54 HB VAL 54 -3.971 0.550 -2.086 410 1HG1 VAL 54 HG11 VAL 54 -4.994 0.473 0.393 411 2HG1 VAL 54 HG12 VAL 54 -5.447 2.120 -0.043 412 3HG1 VAL 54 HG13 VAL 54 -3.756 1.632 -0.087 413 1HG2 VAL 54 HG21 VAL 54 -6.433 -0.267 -2.734 414 2HG2 VAL 54 HG22 VAL 54 -6.655 -0.174 -0.987 415 3HG2 VAL 54 HG23 VAL 54 -5.399 -1.217 -1.661 416 H THR 55 HN THR 55 -7.123 3.263 -4.045 417 HA THR 55 HA THR 55 -9.137 3.690 -1.915 418 HB THR 55 HB THR 55 -9.259 4.437 -4.846 419 HG1 THR 55 HG1 THR 55 -8.080 6.233 -4.342 420 1HG2 THR 55 HG21 THR 55 -10.402 5.635 -2.307 421 2HG2 THR 55 HG22 THR 55 -11.304 4.806 -3.576 422 3HG2 THR 55 HG23 THR 55 -10.544 6.362 -3.908 423 H GLU 56 HN GLU 56 -10.985 2.463 -1.743 424 HA GLU 56 HA GLU 56 -11.318 0.009 -3.201 425 1HB GLU 56 HB2 GLU 56 -12.159 0.724 -0.878 426 2HB GLU 56 HB1 GLU 56 -13.466 1.553 -1.724 427 1HG GLU 56 HG2 GLU 56 -12.997 -1.241 -2.586 428 2HG GLU 56 HG1 GLU 56 -13.578 -1.061 -0.931 Start of MODEL 2 1 1H THR 1 HT1 THR 1 14.758 5.440 4.876 2 2H THR 1 HT2 THR 1 14.992 6.886 4.015 3 3H THR 1 HT3 THR 1 14.686 5.437 3.181 4 HA THR 1 HA THR 1 12.762 6.804 4.998 5 HB THR 1 HB THR 1 12.698 6.498 1.990 6 HG1 THR 1 HG1 THR 1 14.128 8.005 1.872 7 1HG2 THR 1 HG21 THR 1 10.643 7.090 3.438 8 2HG2 THR 1 HG22 THR 1 11.004 8.144 2.071 9 3HG2 THR 1 HG23 THR 1 11.444 8.638 3.706 10 H THR 2 HN THR 2 10.693 5.734 5.038 11 HA THR 2 HA THR 2 10.827 2.828 4.345 12 HB THR 2 HB THR 2 8.858 4.269 6.137 13 HG1 THR 2 HG1 THR 2 11.321 3.082 6.880 14 1HG2 THR 2 HG21 THR 2 8.750 2.037 7.218 15 2HG2 THR 2 HG22 THR 2 9.885 1.420 6.017 16 3HG2 THR 2 HG23 THR 2 8.285 1.970 5.518 17 H PHE 3 HN PHE 3 9.233 1.911 3.032 18 HA PHE 3 HA PHE 3 7.875 3.537 1.107 19 1HB PHE 3 HB2 PHE 3 7.326 0.685 2.011 20 2HB PHE 3 HB1 PHE 3 6.843 1.386 0.468 21 HD1 PHE 3 HD1 PHE 3 9.138 2.873 -0.452 22 HD2 PHE 3 HD2 PHE 3 9.032 -0.879 1.644 23 HE1 PHE 3 HE1 PHE 3 11.345 2.274 -1.410 24 HE2 PHE 3 HE2 PHE 3 11.239 -1.473 0.686 25 HZ PHE 3 HZ PHE 3 12.395 0.102 -0.840 26 H LYS 4 HN LYS 4 5.491 3.754 0.856 27 HA LYS 4 HA LYS 4 3.919 3.471 3.380 28 1HB LYS 4 HB2 LYS 4 5.042 5.742 3.163 29 2HB LYS 4 HB1 LYS 4 4.049 6.011 1.738 30 1HG LYS 4 HG2 LYS 4 2.010 5.683 3.073 31 2HG LYS 4 HG1 LYS 4 2.990 5.397 4.509 32 1HD LYS 4 HD2 LYS 4 3.541 7.610 4.745 33 2HD LYS 4 HD1 LYS 4 3.540 7.902 3.006 34 1HE LYS 4 HE2 LYS 4 1.543 8.952 3.401 35 2HE LYS 4 HE1 LYS 4 0.878 7.309 3.504 36 1HZ LYS 4 HZ1 LYS 4 0.443 8.667 5.515 37 2HZ LYS 4 HZ2 LYS 4 2.119 8.757 5.783 38 3HZ LYS 4 HZ3 LYS 4 1.326 7.255 5.839 39 H LEU 5 HN LEU 5 1.644 3.386 3.022 40 HA LEU 5 HA LEU 5 0.634 3.527 0.231 41 1HB LEU 5 HB2 LEU 5 1.519 1.162 1.106 42 2HB LEU 5 HB1 LEU 5 -0.053 1.127 1.893 43 HG LEU 5 HG LEU 5 -0.297 2.026 -0.870 44 1HD1 LEU 5 HD11 LEU 5 1.764 0.404 -0.869 45 2HD1 LEU 5 HD12 LEU 5 0.489 0.184 -2.073 46 3HD1 LEU 5 HD13 LEU 5 0.543 -0.853 -0.639 47 1HD2 LEU 5 HD21 LEU 5 -2.173 1.232 0.486 48 2HD2 LEU 5 HD22 LEU 5 -1.396 -0.339 0.683 49 3HD2 LEU 5 HD23 LEU 5 -1.961 0.171 -0.907 50 H ILE 6 HN ILE 6 -1.517 4.195 0.193 51 HA ILE 6 HA ILE 6 -2.816 4.658 2.854 52 HB ILE 6 HB ILE 6 -3.081 6.018 0.155 53 1HG1 ILE 6 HG12 ILE 6 -0.941 6.437 1.333 54 2HG1 ILE 6 HG11 ILE 6 -1.934 7.892 1.264 55 1HG2 ILE 6 HG21 ILE 6 -4.563 6.330 2.743 56 2HG2 ILE 6 HG22 ILE 6 -5.173 6.413 1.090 57 3HG2 ILE 6 HG23 ILE 6 -4.255 7.762 1.760 58 1HD1 ILE 6 HD11 ILE 6 -0.970 6.431 3.587 59 2HD1 ILE 6 HD12 ILE 6 -2.724 6.605 3.628 60 3HD1 ILE 6 HD13 ILE 6 -1.699 8.034 3.504 61 H ILE 7 HN ILE 7 -4.703 3.572 3.249 62 HA ILE 7 HA ILE 7 -5.814 1.776 1.200 63 HB ILE 7 HB ILE 7 -6.593 2.376 4.075 64 1HG1 ILE 7 HG12 ILE 7 -4.997 0.042 2.984 65 2HG1 ILE 7 HG11 ILE 7 -4.244 1.489 3.655 66 1HG2 ILE 7 HG21 ILE 7 -7.574 0.011 3.855 67 2HG2 ILE 7 HG22 ILE 7 -7.412 0.227 2.112 68 3HG2 ILE 7 HG23 ILE 7 -8.452 1.306 3.042 69 1HD1 ILE 7 HD11 ILE 7 -5.828 -0.641 5.041 70 2HD1 ILE 7 HD12 ILE 7 -5.890 1.003 5.678 71 3HD1 ILE 7 HD13 ILE 7 -4.344 0.163 5.555 72 H ASN 8 HN ASN 8 -7.365 2.485 -0.195 73 HA ASN 8 HA ASN 8 -9.161 4.728 0.667 74 1HB ASN 8 HB2 ASN 8 -7.779 3.931 -1.855 75 2HB ASN 8 HB1 ASN 8 -9.370 4.672 -2.022 76 1HD2 ASN 8 HD21 ASN 8 -7.136 6.083 -2.973 77 2HD2 ASN 8 HD22 ASN 8 -6.832 7.422 -1.960 78 H GLY 9 HN GLY 9 -9.965 2.302 1.594 79 1HA GLY 9 HA2 GLY 9 -11.664 0.907 -0.337 80 2HA GLY 9 HA1 GLY 9 -11.565 0.566 1.395 81 H LYS 10 HN LYS 10 -14.004 0.796 -0.142 82 HA LYS 10 HA LYS 10 -15.339 3.267 0.013 83 1HB LYS 10 HB2 LYS 10 -16.320 0.421 0.375 84 2HB LYS 10 HB1 LYS 10 -17.381 1.800 0.083 85 1HG LYS 10 HG2 LYS 10 -16.149 2.262 -2.033 86 2HG LYS 10 HG1 LYS 10 -15.178 0.815 -1.755 87 1HD LYS 10 HD2 LYS 10 -16.832 -0.098 -3.083 88 2HD LYS 10 HD1 LYS 10 -17.589 -0.304 -1.503 89 1HE LYS 10 HE2 LYS 10 -19.016 1.563 -1.811 90 2HE LYS 10 HE1 LYS 10 -18.025 2.206 -3.136 91 1HZ LYS 10 HZ1 LYS 10 -18.608 0.387 -4.514 92 2HZ LYS 10 HZ2 LYS 10 -20.064 0.965 -3.857 93 3HZ LYS 10 HZ3 LYS 10 -19.350 -0.447 -3.237 94 H THR 11 HN THR 11 -14.642 0.922 2.544 95 HA THR 11 HA THR 11 -15.963 2.741 4.536 96 HB THR 11 HB THR 11 -15.696 -0.278 4.658 97 HG1 THR 11 HG1 THR 11 -17.847 -0.294 3.994 98 1HG2 THR 11 HG21 THR 11 -17.017 1.836 6.326 99 2HG2 THR 11 HG22 THR 11 -16.075 0.437 6.840 100 3HG2 THR 11 HG23 THR 11 -17.726 0.222 6.257 101 H LEU 12 HN LEU 12 -13.379 0.345 3.972 102 HA LEU 12 HA LEU 12 -12.007 1.091 6.484 103 1HB LEU 12 HB2 LEU 12 -11.414 -0.846 4.223 104 2HB LEU 12 HB1 LEU 12 -10.447 -0.713 5.693 105 HG LEU 12 HG LEU 12 -13.417 -1.134 5.892 106 1HD1 LEU 12 HD11 LEU 12 -13.209 -3.483 5.688 107 2HD1 LEU 12 HD12 LEU 12 -11.449 -3.420 5.778 108 3HD1 LEU 12 HD13 LEU 12 -12.279 -2.852 4.329 109 1HD2 LEU 12 HD21 LEU 12 -11.245 -2.280 7.634 110 2HD2 LEU 12 HD22 LEU 12 -12.909 -1.880 8.060 111 3HD2 LEU 12 HD23 LEU 12 -11.727 -0.594 7.817 112 H LYS 13 HN LYS 13 -10.076 2.267 6.558 113 HA LYS 13 HA LYS 13 -8.658 3.019 4.085 114 1HB LYS 13 HB2 LYS 13 -10.481 4.811 5.660 115 2HB LYS 13 HB1 LYS 13 -9.053 5.511 4.896 116 1HG LYS 13 HG2 LYS 13 -9.932 4.097 2.809 117 2HG LYS 13 HG1 LYS 13 -11.476 4.303 3.636 118 1HD LYS 13 HD2 LYS 13 -9.696 6.690 3.300 119 2HD LYS 13 HD1 LYS 13 -10.631 6.127 1.915 120 1HE LYS 13 HE2 LYS 13 -12.714 6.308 3.207 121 2HE LYS 13 HE1 LYS 13 -11.795 6.811 4.640 122 1HZ LYS 13 HZ1 LYS 13 -12.672 8.689 3.267 123 2HZ LYS 13 HZ2 LYS 13 -11.630 8.195 2.019 124 3HZ LYS 13 HZ3 LYS 13 -10.993 8.718 3.504 125 H GLY 14 HN GLY 14 -7.036 4.977 4.933 126 1HA GLY 14 HA2 GLY 14 -5.872 5.628 7.116 127 2HA GLY 14 HA1 GLY 14 -5.794 3.894 7.428 128 H GLU 15 HN GLU 15 -3.396 4.904 7.493 129 HA GLU 15 HA GLU 15 -2.203 4.535 4.763 130 1HB GLU 15 HB2 GLU 15 -0.399 6.018 5.634 131 2HB GLU 15 HB1 GLU 15 -1.977 6.802 5.696 132 1HG GLU 15 HG2 GLU 15 -2.183 6.389 8.056 133 2HG GLU 15 HG1 GLU 15 -0.773 5.329 8.053 134 H THR 16 HN THR 16 0.106 3.641 4.901 135 HA THR 16 HA THR 16 0.832 2.096 7.286 136 HB THR 16 HB THR 16 -0.991 0.744 6.343 137 HG1 THR 16 HG1 THR 16 0.125 -1.116 6.346 138 1HG2 THR 16 HG21 THR 16 -0.608 -0.289 4.052 139 2HG2 THR 16 HG22 THR 16 0.664 0.910 3.810 140 3HG2 THR 16 HG23 THR 16 -1.006 1.429 4.046 141 H THR 17 HN THR 17 3.000 1.405 7.177 142 HA THR 17 HA THR 17 4.440 1.861 4.586 143 HB THR 17 HB THR 17 6.267 2.838 5.996 144 HG1 THR 17 HG1 THR 17 5.566 3.440 8.148 145 1HG2 THR 17 HG21 THR 17 4.968 4.944 6.606 146 2HG2 THR 17 HG22 THR 17 3.516 4.088 6.087 147 3HG2 THR 17 HG23 THR 17 4.812 4.406 4.934 148 H THR 18 HN THR 18 6.443 0.596 4.411 149 HA THR 18 HA THR 18 6.753 -1.597 6.392 150 HB THR 18 HB THR 18 5.579 -1.710 3.711 151 HG1 THR 18 HG1 THR 18 6.039 -3.595 5.782 152 1HG2 THR 18 HG21 THR 18 6.763 -3.653 2.842 153 2HG2 THR 18 HG22 THR 18 7.881 -3.628 4.207 154 3HG2 THR 18 HG23 THR 18 7.893 -2.311 3.031 155 H GLU 19 HN GLU 19 8.870 -2.774 5.973 156 HA GLU 19 HA GLU 19 10.928 -0.925 4.804 157 1HB GLU 19 HB2 GLU 19 10.840 -1.140 7.316 158 2HB GLU 19 HB1 GLU 19 11.184 -2.860 7.130 159 1HG GLU 19 HG2 GLU 19 13.352 -2.148 7.334 160 2HG GLU 19 HG1 GLU 19 13.171 -1.840 5.606 161 H ALA 20 HN ALA 20 11.764 -1.864 2.975 162 HA ALA 20 HA ALA 20 12.536 -4.728 3.030 163 1HB ALA 20 HB1 ALA 20 11.265 -4.785 0.697 164 2HB ALA 20 HB2 ALA 20 10.337 -3.473 1.426 165 3HB ALA 20 HB3 ALA 20 10.386 -5.057 2.202 166 H VAL 21 HN VAL 21 13.552 -5.257 0.760 167 HA VAL 21 HA VAL 21 15.797 -3.582 0.299 168 HB VAL 21 HB VAL 21 16.074 -5.006 -1.718 169 1HG1 VAL 21 HG11 VAL 21 15.496 -7.260 -0.360 170 2HG1 VAL 21 HG12 VAL 21 15.358 -6.095 0.957 171 3HG1 VAL 21 HG13 VAL 21 16.866 -6.228 0.053 172 1HG2 VAL 21 HG21 VAL 21 14.196 -6.809 -1.956 173 2HG2 VAL 21 HG22 VAL 21 13.932 -5.221 -2.672 174 3HG2 VAL 21 HG23 VAL 21 13.178 -5.628 -1.132 175 H ASP 22 HN ASP 22 12.666 -3.730 -1.383 176 HA ASP 22 HA ASP 22 13.122 -1.003 -2.460 177 1HB ASP 22 HB2 ASP 22 12.514 -3.461 -4.142 178 2HB ASP 22 HB1 ASP 22 12.583 -1.808 -4.750 179 H ALA 23 HN ALA 23 11.059 -0.097 -3.318 180 HA ALA 23 HA ALA 23 8.801 -0.650 -1.653 181 1HB ALA 23 HB1 ALA 23 8.654 1.462 -2.534 182 2HB ALA 23 HB2 ALA 23 7.775 0.653 -3.831 183 3HB ALA 23 HB3 ALA 23 9.494 1.001 -4.015 184 H ALA 24 HN ALA 24 9.749 -1.877 -4.825 185 HA ALA 24 HA ALA 24 7.287 -3.029 -5.675 186 1HB ALA 24 HB1 ALA 24 9.659 -2.777 -6.779 187 2HB ALA 24 HB2 ALA 24 8.651 -4.153 -7.227 188 3HB ALA 24 HB3 ALA 24 9.961 -4.361 -6.065 189 H THR 25 HN THR 25 9.907 -4.411 -3.678 190 HA THR 25 HA THR 25 8.664 -6.969 -3.240 191 HB THR 25 HB THR 25 10.762 -5.330 -1.779 192 HG1 THR 25 HG1 THR 25 11.380 -6.066 -3.785 193 1HG2 THR 25 HG21 THR 25 10.040 -8.241 -1.315 194 2HG2 THR 25 HG22 THR 25 9.681 -6.921 -0.198 195 3HG2 THR 25 HG23 THR 25 11.357 -7.358 -0.541 196 H ALA 26 HN ALA 26 8.792 -3.995 -1.228 197 HA ALA 26 HA ALA 26 7.244 -4.959 0.949 198 1HB ALA 26 HB1 ALA 26 8.450 -2.908 1.156 199 2HB ALA 26 HB2 ALA 26 6.748 -2.438 1.206 200 3HB ALA 26 HB3 ALA 26 7.684 -2.226 -0.279 201 H GLU 27 HN GLU 27 6.122 -2.851 -1.715 202 HA GLU 27 HA GLU 27 3.422 -2.691 -1.304 203 1HB GLU 27 HB2 GLU 27 5.071 -2.014 -3.269 204 2HB GLU 27 HB1 GLU 27 4.383 -3.439 -4.047 205 1HG GLU 27 HG2 GLU 27 2.446 -1.584 -2.772 206 2HG GLU 27 HG1 GLU 27 3.263 -0.981 -4.214 207 H LYS 28 HN LYS 28 5.076 -5.607 -2.513 208 HA LYS 28 HA LYS 28 2.703 -7.091 -3.233 209 1HB LYS 28 HB2 LYS 28 5.424 -8.002 -2.208 210 2HB LYS 28 HB1 LYS 28 4.262 -9.024 -3.053 211 1HG LYS 28 HG2 LYS 28 4.604 -7.959 -5.096 212 2HG LYS 28 HG1 LYS 28 5.167 -6.468 -4.341 213 1HD LYS 28 HD2 LYS 28 7.214 -7.286 -4.991 214 2HD LYS 28 HD1 LYS 28 7.082 -8.141 -3.453 215 1HE LYS 28 HE2 LYS 28 6.485 -10.170 -4.484 216 2HE LYS 28 HE1 LYS 28 5.956 -9.363 -5.974 217 1HZ LYS 28 HZ1 LYS 28 8.747 -9.400 -4.952 218 2HZ LYS 28 HZ2 LYS 28 8.219 -8.681 -6.397 219 3HZ LYS 28 HZ3 LYS 28 8.168 -10.369 -6.217 220 H VAL 29 HN VAL 29 4.672 -6.934 -0.265 221 HA VAL 29 HA VAL 29 3.021 -8.688 1.334 222 HB VAL 29 HB VAL 29 5.087 -6.521 1.823 223 1HG1 VAL 29 HG11 VAL 29 5.081 -7.070 4.222 224 2HG1 VAL 29 HG12 VAL 29 3.717 -8.163 3.982 225 3HG1 VAL 29 HG13 VAL 29 3.509 -6.426 3.738 226 1HG2 VAL 29 HG21 VAL 29 5.489 -8.987 1.002 227 2HG2 VAL 29 HG22 VAL 29 5.241 -9.388 2.702 228 3HG2 VAL 29 HG23 VAL 29 6.543 -8.294 2.234 229 H LEU 30 HN LEU 30 2.994 -5.199 0.644 230 HA LEU 30 HA LEU 30 1.038 -4.481 2.611 231 1HB LEU 30 HB2 LEU 30 2.029 -3.337 -0.008 232 2HB LEU 30 HB1 LEU 30 0.747 -2.533 0.885 233 HG LEU 30 HG LEU 30 3.255 -1.824 1.255 234 1HD1 LEU 30 HD11 LEU 30 1.265 -2.276 3.478 235 2HD1 LEU 30 HD12 LEU 30 1.506 -0.810 2.524 236 3HD1 LEU 30 HD13 LEU 30 2.747 -1.332 3.671 237 1HD2 LEU 30 HD21 LEU 30 4.313 -3.863 1.815 238 2HD2 LEU 30 HD22 LEU 30 3.069 -4.296 2.985 239 3HD2 LEU 30 HD23 LEU 30 4.168 -2.978 3.319 240 H LYS 31 HN LYS 31 0.848 -5.807 -0.644 241 HA LYS 31 HA LYS 31 -1.976 -5.446 -1.133 242 1HB LYS 31 HB2 LYS 31 0.101 -6.337 -2.582 243 2HB LYS 31 HB1 LYS 31 -0.434 -7.885 -1.974 244 1HG LYS 31 HG2 LYS 31 -2.364 -5.953 -3.262 245 2HG LYS 31 HG1 LYS 31 -1.438 -7.109 -4.218 246 1HD LYS 31 HD2 LYS 31 -3.330 -7.794 -1.944 247 2HD LYS 31 HD1 LYS 31 -3.642 -8.045 -3.660 248 1HE LYS 31 HE2 LYS 31 -1.140 -9.269 -3.167 249 2HE LYS 31 HE1 LYS 31 -2.194 -9.757 -1.820 250 1HZ LYS 31 HZ1 LYS 31 -2.624 -11.247 -3.611 251 2HZ LYS 31 HZ2 LYS 31 -2.766 -9.977 -4.730 252 3HZ LYS 31 HZ3 LYS 31 -3.948 -10.191 -3.530 253 H GLN 32 HN GLN 32 -0.038 -8.029 0.335 254 HA GLN 32 HA GLN 32 -2.068 -9.907 0.947 255 1HB GLN 32 HB2 GLN 32 0.626 -9.155 1.935 256 2HB GLN 32 HB1 GLN 32 -0.352 -10.159 3.006 257 1HG GLN 32 HG2 GLN 32 -0.796 -11.585 0.865 258 2HG GLN 32 HG1 GLN 32 0.641 -10.777 0.238 259 1HE2 GLN 32 HE21 GLN 32 2.063 -12.608 0.339 260 2HE2 GLN 32 HE22 GLN 32 2.518 -13.336 1.814 261 H TYR 33 HN TYR 33 -0.967 -7.035 2.729 262 HA TYR 33 HA TYR 33 -2.626 -7.349 5.071 263 1HB TYR 33 HB2 TYR 33 -0.700 -5.839 4.946 264 2HB TYR 33 HB1 TYR 33 -1.464 -4.924 3.647 265 HD1 TYR 33 HD1 TYR 33 -1.757 -5.889 7.208 266 HD2 TYR 33 HD2 TYR 33 -3.071 -3.226 4.111 267 HE1 TYR 33 HE1 TYR 33 -2.921 -4.514 8.894 268 HE2 TYR 33 HE2 TYR 33 -4.235 -1.837 5.801 269 HH TYR 33 HH TYR 33 -5.156 -2.715 8.584 270 H ILE 34 HN ILE 34 -3.083 -5.768 1.931 271 HA ILE 34 HA ILE 34 -5.688 -4.637 2.444 272 HB ILE 34 HB ILE 34 -4.287 -5.524 -0.097 273 1HG1 ILE 34 HG12 ILE 34 -3.155 -3.828 1.493 274 2HG1 ILE 34 HG11 ILE 34 -3.306 -3.375 -0.199 275 1HG2 ILE 34 HG21 ILE 34 -6.456 -5.193 -0.843 276 2HG2 ILE 34 HG22 ILE 34 -5.801 -3.563 -1.000 277 3HG2 ILE 34 HG23 ILE 34 -6.806 -3.978 0.388 278 1HD1 ILE 34 HD11 ILE 34 -5.141 -1.916 0.271 279 2HD1 ILE 34 HD12 ILE 34 -3.930 -1.581 1.509 280 3HD1 ILE 34 HD13 ILE 34 -5.337 -2.572 1.897 281 H ASN 35 HN ASN 35 -4.549 -7.818 1.470 282 HA ASN 35 HA ASN 35 -6.908 -8.939 0.356 283 1HB ASN 35 HB2 ASN 35 -4.540 -9.861 0.482 284 2HB ASN 35 HB1 ASN 35 -4.894 -10.325 2.146 285 1HD2 ASN 35 HD21 ASN 35 -6.351 -10.681 -1.143 286 2HD2 ASN 35 HD22 ASN 35 -6.910 -12.262 -0.880 287 H ASP 36 HN ASP 36 -6.043 -8.270 3.697 288 HA ASP 36 HA ASP 36 -8.141 -9.932 4.876 289 1HB ASP 36 HB2 ASP 36 -5.968 -9.308 5.954 290 2HB ASP 36 HB1 ASP 36 -6.516 -7.632 6.015 291 H ASN 37 HN ASN 37 -7.654 -6.387 4.605 292 HA ASN 37 HA ASN 37 -10.250 -5.644 5.568 293 1HB ASN 37 HB2 ASN 37 -8.296 -4.270 3.690 294 2HB ASN 37 HB1 ASN 37 -9.651 -3.466 4.491 295 1HD2 ASN 37 HD21 ASN 37 -6.699 -2.990 4.873 296 2HD2 ASN 37 HD22 ASN 37 -6.417 -3.242 6.536 297 H GLY 38 HN GLY 38 -9.076 -6.573 2.376 298 1HA GLY 38 HA2 GLY 38 -10.368 -7.313 0.531 299 2HA GLY 38 HA1 GLY 38 -11.830 -6.890 1.422 300 H ILE 39 HN ILE 39 -9.040 -4.816 0.668 301 HA ILE 39 HA ILE 39 -10.885 -3.073 -0.937 302 HB ILE 39 HB ILE 39 -8.634 -2.339 0.967 303 1HG1 ILE 39 HG12 ILE 39 -10.660 -3.130 2.128 304 2HG1 ILE 39 HG11 ILE 39 -10.456 -1.391 2.355 305 1HG2 ILE 39 HG21 ILE 39 -10.481 -0.648 -0.734 306 2HG2 ILE 39 HG22 ILE 39 -8.719 -0.689 -0.779 307 3HG2 ILE 39 HG23 ILE 39 -9.550 -0.002 0.616 308 1HD1 ILE 39 HD11 ILE 39 -12.760 -1.681 1.826 309 2HD1 ILE 39 HD12 ILE 39 -12.399 -2.816 0.525 310 3HD1 ILE 39 HD13 ILE 39 -12.017 -1.105 0.333 311 H ASP 40 HN ASP 40 -9.928 -4.461 -2.751 312 HA ASP 40 HA ASP 40 -7.234 -3.415 -3.565 313 1HB ASP 40 HB2 ASP 40 -6.991 -5.609 -4.726 314 2HB ASP 40 HB1 ASP 40 -7.230 -5.806 -2.987 315 H GLY 41 HN GLY 41 -7.472 -2.010 -5.257 316 1HA GLY 41 HA2 GLY 41 -9.297 -2.742 -7.475 317 2HA GLY 41 HA1 GLY 41 -9.560 -1.177 -6.700 318 H GLU 42 HN GLU 42 -7.827 0.417 -6.827 319 HA GLU 42 HA GLU 42 -5.849 -0.119 -9.019 320 1HB GLU 42 HB2 GLU 42 -8.037 1.830 -8.744 321 2HB GLU 42 HB1 GLU 42 -6.497 2.575 -9.174 322 1HG GLU 42 HG2 GLU 42 -6.411 1.549 -11.223 323 2HG GLU 42 HG1 GLU 42 -7.226 0.094 -10.646 324 H TRP 43 HN TRP 43 -3.826 0.096 -8.167 325 HA TRP 43 HA TRP 43 -3.396 1.874 -5.811 326 1HB TRP 43 HB2 TRP 43 -1.754 -0.273 -7.193 327 2HB TRP 43 HB1 TRP 43 -1.151 0.685 -5.854 328 HD1 TRP 43 HD1 TRP 43 -4.777 -0.617 -5.907 329 HE1 TRP 43 HE1 TRP 43 -5.030 -2.347 -4.033 330 HE3 TRP 43 HE3 TRP 43 0.056 -0.926 -4.367 331 HZ2 TRP 43 HZ2 TRP 43 -3.406 -3.662 -2.092 332 HZ3 TRP 43 HZ3 TRP 43 0.681 -2.414 -2.478 333 HH2 TRP 43 HH2 TRP 43 -1.037 -3.774 -1.341 334 H THR 44 HN THR 44 -1.364 3.221 -5.887 335 HA THR 44 HA THR 44 -0.333 3.912 -8.572 336 HB THR 44 HB THR 44 -0.932 6.304 -8.245 337 HG1 THR 44 HG1 THR 44 -1.940 6.943 -6.492 338 1HG2 THR 44 HG21 THR 44 -3.209 6.098 -8.900 339 2HG2 THR 44 HG22 THR 44 -3.418 4.610 -7.977 340 3HG2 THR 44 HG23 THR 44 -2.435 4.609 -9.441 341 H TYR 45 HN TYR 45 1.811 4.385 -8.376 342 HA TYR 45 HA TYR 45 3.008 4.520 -5.683 343 1HB TYR 45 HB2 TYR 45 3.916 3.092 -7.482 344 2HB TYR 45 HB1 TYR 45 4.163 4.513 -8.496 345 HD1 TYR 45 HD1 TYR 45 6.384 5.171 -8.626 346 HD2 TYR 45 HD2 TYR 45 4.881 3.622 -4.914 347 HE1 TYR 45 HE1 TYR 45 8.599 5.541 -7.576 348 HE2 TYR 45 HE2 TYR 45 7.096 3.989 -3.863 349 HH TYR 45 HH TYR 45 9.716 4.171 -5.115 350 H ASP 46 HN ASP 46 4.612 6.271 -5.192 351 HA ASP 46 HA ASP 46 4.168 8.818 -6.701 352 1HB ASP 46 HB2 ASP 46 4.107 8.499 -3.678 353 2HB ASP 46 HB1 ASP 46 3.836 9.989 -4.577 354 H ASP 47 HN ASP 47 6.108 9.772 -7.150 355 HA ASP 47 HA ASP 47 8.609 8.655 -6.196 356 1HB ASP 47 HB2 ASP 47 9.554 10.514 -7.553 357 2HB ASP 47 HB1 ASP 47 8.300 9.636 -8.427 358 H ALA 48 HN ALA 48 6.442 10.841 -4.735 359 HA ALA 48 HA ALA 48 8.089 12.805 -3.531 360 1HB ALA 48 HB1 ALA 48 5.792 13.085 -3.239 361 2HB ALA 48 HB2 ALA 48 6.232 12.435 -1.659 362 3HB ALA 48 HB3 ALA 48 5.529 11.375 -2.884 363 H THR 49 HN THR 49 6.837 10.005 -1.718 364 HA THR 49 HA THR 49 9.545 9.626 -0.486 365 HB THR 49 HB THR 49 8.045 10.950 0.977 366 HG1 THR 49 HG1 THR 49 9.402 9.510 2.012 367 1HG2 THR 49 HG21 THR 49 5.889 10.224 0.126 368 2HG2 THR 49 HG22 THR 49 5.968 9.839 1.846 369 3HG2 THR 49 HG23 THR 49 6.203 8.567 0.644 370 H LYS 50 HN LYS 50 8.294 8.148 -2.652 371 HA LYS 50 HA LYS 50 7.850 5.939 -3.306 372 1HB LYS 50 HB2 LYS 50 9.093 5.391 -0.589 373 2HB LYS 50 HB1 LYS 50 8.934 4.223 -1.900 374 1HG LYS 50 HG2 LYS 50 11.030 4.917 -2.452 375 2HG LYS 50 HG1 LYS 50 10.182 6.268 -3.202 376 1HD LYS 50 HD2 LYS 50 10.902 7.750 -1.635 377 2HD LYS 50 HD1 LYS 50 10.654 6.612 -0.311 378 1HE LYS 50 HE2 LYS 50 12.760 5.510 -0.761 379 2HE LYS 50 HE1 LYS 50 12.978 6.435 -2.261 380 1HZ LYS 50 HZ1 LYS 50 14.150 7.371 -0.265 381 2HZ LYS 50 HZ2 LYS 50 12.621 7.711 0.395 382 3HZ LYS 50 HZ3 LYS 50 13.107 8.451 -1.055 383 H THR 51 HN THR 51 5.679 7.327 -2.141 384 HA THR 51 HA THR 51 4.362 5.617 -0.150 385 HB THR 51 HB THR 51 2.915 7.654 -1.808 386 HG1 THR 51 HG1 THR 51 3.931 9.322 -0.720 387 1HG2 THR 51 HG21 THR 51 2.907 7.932 1.093 388 2HG2 THR 51 HG22 THR 51 2.443 6.306 0.591 389 3HG2 THR 51 HG23 THR 51 1.553 7.703 -0.013 390 H TRP 52 HN TRP 52 1.802 5.343 -1.013 391 HA TRP 52 HA TRP 52 1.722 4.205 -3.738 392 1HB TRP 52 HB2 TRP 52 1.712 2.635 -1.166 393 2HB TRP 52 HB1 TRP 52 0.887 2.026 -2.595 394 HD1 TRP 52 HD1 TRP 52 4.315 2.522 -1.121 395 HE1 TRP 52 HE1 TRP 52 6.077 1.517 -2.718 396 HE3 TRP 52 HE3 TRP 52 1.369 1.574 -5.137 397 HZ2 TRP 52 HZ2 TRP 52 6.200 0.440 -5.377 398 HZ3 TRP 52 HZ3 TRP 52 2.310 0.555 -7.201 399 HH2 TRP 52 HH2 TRP 52 4.723 -0.014 -7.322 400 H THR 53 HN THR 53 -0.601 2.829 -3.660 401 HA THR 53 HA THR 53 -2.634 4.199 -2.038 402 HB THR 53 HB THR 53 -2.688 4.457 -5.056 403 HG1 THR 53 HG1 THR 53 -1.026 5.723 -4.515 404 1HG2 THR 53 HG21 THR 53 -4.236 6.408 -4.302 405 2HG2 THR 53 HG22 THR 53 -4.303 5.546 -2.765 406 3HG2 THR 53 HG23 THR 53 -4.865 4.761 -4.241 407 H VAL 54 HN VAL 54 -4.881 3.360 -2.697 408 HA VAL 54 HA VAL 54 -5.141 0.955 -4.284 409 HB VAL 54 HB VAL 54 -3.832 -0.072 -2.543 410 1HG1 VAL 54 HG11 VAL 54 -4.864 0.149 -0.112 411 2HG1 VAL 54 HG12 VAL 54 -5.474 1.670 -0.764 412 3HG1 VAL 54 HG13 VAL 54 -3.742 1.353 -0.742 413 1HG2 VAL 54 HG21 VAL 54 -5.222 -1.804 -1.901 414 2HG2 VAL 54 HG22 VAL 54 -6.241 -1.060 -3.139 415 3HG2 VAL 54 HG23 VAL 54 -6.533 -0.717 -1.434 416 H THR 55 HN THR 55 -6.976 2.214 -4.987 417 HA THR 55 HA THR 55 -9.126 2.764 -3.006 418 HB THR 55 HB THR 55 -9.096 3.339 -5.976 419 HG1 THR 55 HG1 THR 55 -7.476 4.598 -5.619 420 1HG2 THR 55 HG21 THR 55 -10.761 4.862 -5.508 421 2HG2 THR 55 HG22 THR 55 -10.161 5.177 -3.879 422 3HG2 THR 55 HG23 THR 55 -11.072 3.704 -4.214 423 H GLU 56 HN GLU 56 -10.946 1.484 -2.891 424 HA GLU 56 HA GLU 56 -11.094 -1.013 -4.371 425 1HB GLU 56 HB2 GLU 56 -11.963 -0.171 -1.983 426 2HB GLU 56 HB1 GLU 56 -13.430 0.151 -2.908 427 1HG GLU 56 HG2 GLU 56 -12.019 -2.503 -3.132 428 2HG GLU 56 HG1 GLU 56 -13.164 -2.195 -1.825 Start of MODEL 3 1 1H THR 1 HT1 THR 1 15.126 2.128 1.600 2 2H THR 1 HT2 THR 1 15.563 2.748 3.120 3 3H THR 1 HT3 THR 1 16.234 3.407 1.706 4 HA THR 1 HA THR 1 14.522 4.885 2.550 5 HB THR 1 HB THR 1 13.543 3.390 0.108 6 HG1 THR 1 HG1 THR 1 15.812 5.058 0.421 7 1HG2 THR 1 HG21 THR 1 13.373 6.155 1.202 8 2HG2 THR 1 HG22 THR 1 12.180 5.230 0.291 9 3HG2 THR 1 HG23 THR 1 13.532 5.992 -0.547 10 H THR 2 HN THR 2 12.069 5.129 2.660 11 HA THR 2 HA THR 2 10.809 2.616 3.716 12 HB THR 2 HB THR 2 10.159 5.455 4.527 13 HG1 THR 2 HG1 THR 2 11.726 5.339 6.036 14 1HG2 THR 2 HG21 THR 2 9.102 4.473 6.371 15 2HG2 THR 2 HG22 THR 2 10.026 2.978 6.226 16 3HG2 THR 2 HG23 THR 2 8.737 3.334 5.076 17 H PHE 3 HN PHE 3 9.187 1.954 2.374 18 HA PHE 3 HA PHE 3 7.972 3.748 0.401 19 1HB PHE 3 HB2 PHE 3 7.412 0.883 1.247 20 2HB PHE 3 HB1 PHE 3 6.756 1.656 -0.196 21 HD1 PHE 3 HD1 PHE 3 8.837 3.094 -1.441 22 HD2 PHE 3 HD2 PHE 3 9.138 -0.601 0.734 23 HE1 PHE 3 HE1 PHE 3 10.908 2.532 -2.682 24 HE2 PHE 3 HE2 PHE 3 11.209 -1.161 -0.508 25 HZ PHE 3 HZ PHE 3 12.094 0.405 -2.215 26 H LYS 4 HN LYS 4 5.485 3.795 0.265 27 HA LYS 4 HA LYS 4 4.168 3.752 2.949 28 1HB LYS 4 HB2 LYS 4 5.196 6.012 2.311 29 2HB LYS 4 HB1 LYS 4 4.002 6.079 1.021 30 1HG LYS 4 HG2 LYS 4 2.184 5.869 2.659 31 2HG LYS 4 HG1 LYS 4 3.362 5.777 3.967 32 1HD LYS 4 HD2 LYS 4 3.740 8.017 3.953 33 2HD LYS 4 HD1 LYS 4 3.727 8.103 2.192 34 1HE LYS 4 HE2 LYS 4 1.530 8.708 2.135 35 2HE LYS 4 HE1 LYS 4 1.081 7.507 3.363 36 1HZ LYS 4 HZ1 LYS 4 2.005 8.898 5.070 37 2HZ LYS 4 HZ2 LYS 4 0.892 9.817 4.175 38 3HZ LYS 4 HZ3 LYS 4 2.560 10.023 3.928 39 H LEU 5 HN LEU 5 1.846 3.653 2.808 40 HA LEU 5 HA LEU 5 0.558 3.477 0.157 41 1HB LEU 5 HB2 LEU 5 1.680 1.213 1.038 42 2HB LEU 5 HB1 LEU 5 0.202 1.131 1.987 43 HG LEU 5 HG LEU 5 -0.353 1.880 -0.782 44 1HD1 LEU 5 HD11 LEU 5 0.379 -0.004 -1.954 45 2HD1 LEU 5 HD12 LEU 5 0.609 -0.954 -0.476 46 3HD1 LEU 5 HD13 LEU 5 1.756 0.325 -0.894 47 1HD2 LEU 5 HD21 LEU 5 -1.962 0.004 -0.556 48 2HD2 LEU 5 HD22 LEU 5 -2.049 1.110 0.816 49 3HD2 LEU 5 HD23 LEU 5 -1.215 -0.436 0.981 50 H ILE 6 HN ILE 6 -1.533 4.207 0.351 51 HA ILE 6 HA ILE 6 -2.577 4.688 3.107 52 HB ILE 6 HB ILE 6 -3.187 5.854 0.378 53 1HG1 ILE 6 HG12 ILE 6 -0.984 6.455 1.346 54 2HG1 ILE 6 HG11 ILE 6 -2.059 7.850 1.266 55 1HG2 ILE 6 HG21 ILE 6 -4.235 6.729 3.088 56 2HG2 ILE 6 HG22 ILE 6 -5.181 5.862 1.879 57 3HG2 ILE 6 HG23 ILE 6 -4.590 7.487 1.535 58 1HD1 ILE 6 HD11 ILE 6 -2.581 6.678 3.767 59 2HD1 ILE 6 HD12 ILE 6 -1.668 8.156 3.467 60 3HD1 ILE 6 HD13 ILE 6 -0.828 6.611 3.588 61 H ILE 7 HN ILE 7 -4.401 3.640 3.787 62 HA ILE 7 HA ILE 7 -5.624 1.597 2.057 63 HB ILE 7 HB ILE 7 -6.150 2.497 4.912 64 1HG1 ILE 7 HG12 ILE 7 -4.574 0.114 3.891 65 2HG1 ILE 7 HG11 ILE 7 -3.834 1.628 4.413 66 1HG2 ILE 7 HG21 ILE 7 -7.077 0.100 5.043 67 2HG2 ILE 7 HG22 ILE 7 -7.101 0.137 3.280 68 3HG2 ILE 7 HG23 ILE 7 -8.070 1.288 4.199 69 1HD1 ILE 7 HD11 ILE 7 -5.274 1.246 6.584 70 2HD1 ILE 7 HD12 ILE 7 -3.751 0.381 6.381 71 3HD1 ILE 7 HD13 ILE 7 -5.279 -0.434 6.048 72 H ASN 8 HN ASN 8 -7.237 2.218 0.677 73 HA ASN 8 HA ASN 8 -9.051 4.457 1.499 74 1HB ASN 8 HB2 ASN 8 -8.072 3.349 -1.137 75 2HB ASN 8 HB1 ASN 8 -9.472 4.420 -1.058 76 1HD2 ASN 8 HD21 ASN 8 -8.227 6.104 -2.220 77 2HD2 ASN 8 HD22 ASN 8 -7.035 7.008 -1.402 78 H GLY 9 HN GLY 9 -9.697 2.104 2.695 79 1HA GLY 9 HA2 GLY 9 -11.563 0.568 1.017 80 2HA GLY 9 HA1 GLY 9 -11.217 0.272 2.725 81 H LYS 10 HN LYS 10 -13.833 0.547 1.321 82 HA LYS 10 HA LYS 10 -15.137 2.996 1.802 83 1HB LYS 10 HB2 LYS 10 -16.148 0.143 1.992 84 2HB LYS 10 HB1 LYS 10 -17.178 1.565 1.818 85 1HG LYS 10 HG2 LYS 10 -15.773 2.102 -0.278 86 2HG LYS 10 HG1 LYS 10 -15.196 0.439 -0.162 87 1HD LYS 10 HD2 LYS 10 -17.237 -0.456 -0.726 88 2HD LYS 10 HD1 LYS 10 -18.139 0.861 0.025 89 1HE LYS 10 HE2 LYS 10 -17.474 2.366 -1.842 90 2HE LYS 10 HE1 LYS 10 -16.637 1.004 -2.614 91 1HZ LYS 10 HZ1 LYS 10 -19.480 0.898 -1.771 92 2HZ LYS 10 HZ2 LYS 10 -18.644 -0.220 -2.740 93 3HZ LYS 10 HZ3 LYS 10 -19.001 1.329 -3.340 94 H THR 11 HN THR 11 -14.376 0.360 4.033 95 HA THR 11 HA THR 11 -15.631 1.927 6.264 96 HB THR 11 HB THR 11 -14.985 -1.032 6.131 97 HG1 THR 11 HG1 THR 11 -16.613 -1.122 4.830 98 1HG2 THR 11 HG21 THR 11 -16.263 -1.237 8.083 99 2HG2 THR 11 HG22 THR 11 -17.084 0.301 7.821 100 3HG2 THR 11 HG23 THR 11 -15.402 0.279 8.350 101 H LEU 12 HN LEU 12 -12.748 0.194 5.172 102 HA LEU 12 HA LEU 12 -11.326 0.893 7.705 103 1HB LEU 12 HB2 LEU 12 -10.755 -0.980 5.389 104 2HB LEU 12 HB1 LEU 12 -9.644 -0.730 6.737 105 HG LEU 12 HG LEU 12 -12.489 -1.394 7.370 106 1HD1 LEU 12 HD11 LEU 12 -11.442 -2.957 5.514 107 2HD1 LEU 12 HD12 LEU 12 -12.307 -3.662 6.880 108 3HD1 LEU 12 HD13 LEU 12 -10.544 -3.624 6.877 109 1HD2 LEU 12 HD21 LEU 12 -9.876 -2.342 8.578 110 2HD2 LEU 12 HD22 LEU 12 -11.480 -2.408 9.309 111 3HD2 LEU 12 HD23 LEU 12 -10.682 -0.853 9.071 112 H LYS 13 HN LYS 13 -9.500 2.234 7.658 113 HA LYS 13 HA LYS 13 -8.418 3.184 5.072 114 1HB LYS 13 HB2 LYS 13 -10.251 4.670 6.875 115 2HB LYS 13 HB1 LYS 13 -8.862 5.581 6.281 116 1HG LYS 13 HG2 LYS 13 -9.457 4.860 3.953 117 2HG LYS 13 HG1 LYS 13 -10.920 4.120 4.602 118 1HD LYS 13 HD2 LYS 13 -11.549 6.359 5.558 119 2HD LYS 13 HD1 LYS 13 -10.168 7.054 4.709 120 1HE LYS 13 HE2 LYS 13 -11.958 5.377 3.035 121 2HE LYS 13 HE1 LYS 13 -12.649 6.910 3.605 122 1HZ LYS 13 HZ1 LYS 13 -9.935 6.686 2.428 123 2HZ LYS 13 HZ2 LYS 13 -10.801 8.107 2.768 124 3HZ LYS 13 HZ3 LYS 13 -11.306 7.081 1.512 125 H GLY 14 HN GLY 14 -6.694 5.021 5.690 126 1HA GLY 14 HA2 GLY 14 -5.306 5.709 7.749 127 2HA GLY 14 HA1 GLY 14 -5.155 3.974 8.026 128 H GLU 15 HN GLU 15 -2.777 4.826 7.832 129 HA GLU 15 HA GLU 15 -1.924 4.507 4.973 130 1HB GLU 15 HB2 GLU 15 -0.126 6.143 5.515 131 2HB GLU 15 HB1 GLU 15 -1.731 6.838 5.735 132 1HG GLU 15 HG2 GLU 15 -1.604 6.410 8.155 133 2HG GLU 15 HG1 GLU 15 -0.012 5.678 7.950 134 H THR 16 HN THR 16 0.400 3.707 4.833 135 HA THR 16 HA THR 16 1.501 2.359 7.209 136 HB THR 16 HB THR 16 -0.311 0.854 6.510 137 HG1 THR 16 HG1 THR 16 1.325 -0.336 7.218 138 1HG2 THR 16 HG21 THR 16 1.055 1.058 3.816 139 2HG2 THR 16 HG22 THR 16 -0.631 1.393 4.212 140 3HG2 THR 16 HG23 THR 16 -0.038 -0.266 4.222 141 H THR 17 HN THR 17 3.675 1.743 6.892 142 HA THR 17 HA THR 17 4.833 2.195 4.163 143 HB THR 17 HB THR 17 6.751 3.283 5.413 144 HG1 THR 17 HG1 THR 17 6.660 3.053 7.483 145 1HG2 THR 17 HG21 THR 17 3.976 4.396 5.277 146 2HG2 THR 17 HG22 THR 17 5.419 4.876 4.385 147 3HG2 THR 17 HG23 THR 17 5.229 5.346 6.074 148 H THR 18 HN THR 18 6.869 1.018 3.833 149 HA THR 18 HA THR 18 7.522 -1.039 5.871 150 HB THR 18 HB THR 18 6.062 -1.373 3.347 151 HG1 THR 18 HG1 THR 18 6.819 -3.087 5.477 152 1HG2 THR 18 HG21 THR 18 8.500 -3.142 3.720 153 2HG2 THR 18 HG22 THR 18 8.302 -1.930 2.454 154 3HG2 THR 18 HG23 THR 18 7.238 -3.338 2.502 155 H GLU 19 HN GLU 19 9.637 -2.140 5.251 156 HA GLU 19 HA GLU 19 11.430 -0.266 3.737 157 1HB GLU 19 HB2 GLU 19 11.628 -0.340 6.264 158 2HB GLU 19 HB1 GLU 19 12.103 -2.032 6.111 159 1HG GLU 19 HG2 GLU 19 13.800 -0.946 4.319 160 2HG GLU 19 HG1 GLU 19 13.617 0.430 5.408 161 H ALA 20 HN ALA 20 12.074 -1.286 1.873 162 HA ALA 20 HA ALA 20 13.055 -4.080 2.009 163 1HB ALA 20 HB1 ALA 20 10.786 -4.528 1.558 164 2HB ALA 20 HB2 ALA 20 11.506 -4.502 -0.051 165 3HB ALA 20 HB3 ALA 20 10.615 -3.098 0.539 166 H VAL 21 HN VAL 21 13.784 -4.709 -0.350 167 HA VAL 21 HA VAL 21 15.812 -2.922 -1.223 168 HB VAL 21 HB VAL 21 15.938 -4.476 -3.156 169 1HG1 VAL 21 HG11 VAL 21 16.557 -6.353 -1.899 170 2HG1 VAL 21 HG12 VAL 21 15.232 -6.143 -0.754 171 3HG1 VAL 21 HG13 VAL 21 16.622 -5.058 -0.704 172 1HG2 VAL 21 HG21 VAL 21 13.713 -4.907 -3.797 173 2HG2 VAL 21 HG22 VAL 21 13.200 -5.254 -2.147 174 3HG2 VAL 21 HG23 VAL 21 14.194 -6.416 -3.024 175 H ASP 22 HN ASP 22 12.509 -3.422 -2.458 176 HA ASP 22 HA ASP 22 12.600 -0.754 -3.756 177 1HB ASP 22 HB2 ASP 22 12.002 -3.366 -5.191 178 2HB ASP 22 HB1 ASP 22 11.854 -1.760 -5.904 179 H ALA 23 HN ALA 23 10.386 -0.056 -4.380 180 HA ALA 23 HA ALA 23 8.392 -0.679 -2.424 181 1HB ALA 23 HB1 ALA 23 8.691 0.908 -4.898 182 2HB ALA 23 HB2 ALA 23 7.931 1.350 -3.369 183 3HB ALA 23 HB3 ALA 23 7.034 0.408 -4.560 184 H ALA 24 HN ALA 24 9.123 -2.080 -5.566 185 HA ALA 24 HA ALA 24 6.660 -3.428 -6.094 186 1HB ALA 24 HB1 ALA 24 8.746 -3.106 -7.554 187 2HB ALA 24 HB2 ALA 24 7.993 -4.699 -7.633 188 3HB ALA 24 HB3 ALA 24 9.451 -4.459 -6.670 189 H THR 25 HN THR 25 9.562 -4.472 -4.295 190 HA THR 25 HA THR 25 8.539 -7.069 -3.555 191 HB THR 25 HB THR 25 10.704 -5.226 -2.488 192 HG1 THR 25 HG1 THR 25 10.672 -7.566 -4.079 193 1HG2 THR 25 HG21 THR 25 10.217 -8.127 -1.738 194 2HG2 THR 25 HG22 THR 25 9.917 -6.746 -0.677 195 3HG2 THR 25 HG23 THR 25 11.563 -7.121 -1.197 196 H ALA 26 HN ALA 26 8.766 -3.962 -1.766 197 HA ALA 26 HA ALA 26 7.523 -4.840 0.634 198 1HB ALA 26 HB1 ALA 26 8.658 -2.742 0.591 199 2HB ALA 26 HB2 ALA 26 6.955 -2.319 0.788 200 3HB ALA 26 HB3 ALA 26 7.726 -2.179 -0.796 201 H GLU 27 HN GLU 27 6.044 -3.018 -2.069 202 HA GLU 27 HA GLU 27 3.398 -2.889 -1.347 203 1HB GLU 27 HB2 GLU 27 4.457 -2.054 -3.437 204 2HB GLU 27 HB1 GLU 27 4.483 -3.702 -4.064 205 1HG GLU 27 HG2 GLU 27 1.905 -3.635 -3.506 206 2HG GLU 27 HG1 GLU 27 2.138 -1.889 -3.604 207 H LYS 28 HN LYS 28 5.023 -5.838 -2.522 208 HA LYS 28 HA LYS 28 2.659 -7.460 -2.836 209 1HB LYS 28 HB2 LYS 28 5.513 -8.177 -2.049 210 2HB LYS 28 HB1 LYS 28 4.312 -9.316 -2.659 211 1HG LYS 28 HG2 LYS 28 4.379 -8.446 -4.814 212 2HG LYS 28 HG1 LYS 28 4.934 -6.863 -4.269 213 1HD LYS 28 HD2 LYS 28 6.940 -7.647 -5.073 214 2HD LYS 28 HD1 LYS 28 7.029 -8.345 -3.455 215 1HE LYS 28 HE2 LYS 28 6.262 -10.486 -4.238 216 2HE LYS 28 HE1 LYS 28 5.827 -9.816 -5.823 217 1HZ LYS 28 HZ1 LYS 28 8.019 -10.893 -5.855 218 2HZ LYS 28 HZ2 LYS 28 8.564 -9.813 -4.662 219 3HZ LYS 28 HZ3 LYS 28 8.125 -9.236 -6.199 220 H VAL 29 HN VAL 29 4.892 -6.905 -0.123 221 HA VAL 29 HA VAL 29 3.505 -8.587 1.790 222 HB VAL 29 HB VAL 29 5.520 -6.320 1.870 223 1HG1 VAL 29 HG11 VAL 29 5.796 -6.671 4.288 224 2HG1 VAL 29 HG12 VAL 29 4.471 -7.835 4.285 225 3HG1 VAL 29 HG13 VAL 29 4.151 -6.133 3.936 226 1HG2 VAL 29 HG21 VAL 29 5.676 -9.246 2.650 227 2HG2 VAL 29 HG22 VAL 29 7.022 -8.107 2.618 228 3HG2 VAL 29 HG23 VAL 29 6.227 -8.574 1.115 229 H LEU 30 HN LEU 30 3.297 -5.156 0.846 230 HA LEU 30 HA LEU 30 1.509 -4.350 2.937 231 1HB LEU 30 HB2 LEU 30 2.200 -3.370 0.160 232 2HB LEU 30 HB1 LEU 30 0.992 -2.537 1.125 233 HG LEU 30 HG LEU 30 3.500 -1.741 1.179 234 1HD1 LEU 30 HD11 LEU 30 1.853 -0.687 2.552 235 2HD1 LEU 30 HD12 LEU 30 3.230 -1.081 3.589 236 3HD1 LEU 30 HD13 LEU 30 1.774 -2.083 3.630 237 1HD2 LEU 30 HD21 LEU 30 4.666 -2.717 3.202 238 2HD2 LEU 30 HD22 LEU 30 4.668 -3.714 1.763 239 3HD2 LEU 30 HD23 LEU 30 3.571 -4.080 3.091 240 H LYS 31 HN LYS 31 1.064 -5.889 -0.199 241 HA LYS 31 HA LYS 31 -1.800 -5.637 -0.446 242 1HB LYS 31 HB2 LYS 31 0.157 -6.572 -2.020 243 2HB LYS 31 HB1 LYS 31 -0.262 -8.089 -1.261 244 1HG LYS 31 HG2 LYS 31 -2.375 -6.312 -2.483 245 2HG LYS 31 HG1 LYS 31 -1.497 -7.497 -3.449 246 1HD LYS 31 HD2 LYS 31 -3.143 -8.092 -0.968 247 2HD LYS 31 HD1 LYS 31 -3.600 -8.467 -2.628 248 1HE LYS 31 HE2 LYS 31 -1.017 -9.572 -2.293 249 2HE LYS 31 HE1 LYS 31 -1.927 -10.005 -0.827 250 1HZ LYS 31 HZ1 LYS 31 -2.311 -11.569 -2.692 251 2HZ LYS 31 HZ2 LYS 31 -2.969 -10.292 -3.600 252 3HZ LYS 31 HZ3 LYS 31 -3.733 -10.805 -2.172 253 H GLN 32 HN GLN 32 0.338 -8.071 0.999 254 HA GLN 32 HA GLN 32 -1.572 -9.948 1.922 255 1HB GLN 32 HB2 GLN 32 1.180 -9.068 2.610 256 2HB GLN 32 HB1 GLN 32 0.332 -10.039 3.814 257 1HG GLN 32 HG2 GLN 32 -0.054 -11.812 2.213 258 2HG GLN 32 HG1 GLN 32 0.594 -10.824 0.903 259 1HE2 GLN 32 HE21 GLN 32 1.443 -12.976 3.507 260 2HE2 GLN 32 HE22 GLN 32 3.134 -12.889 3.299 261 H TYR 33 HN TYR 33 -0.387 -6.938 3.398 262 HA TYR 33 HA TYR 33 -1.819 -7.133 5.899 263 1HB TYR 33 HB2 TYR 33 0.058 -5.603 5.501 264 2HB TYR 33 HB1 TYR 33 -0.848 -4.779 4.233 265 HD1 TYR 33 HD1 TYR 33 -0.776 -5.539 7.855 266 HD2 TYR 33 HD2 TYR 33 -2.446 -3.088 4.754 267 HE1 TYR 33 HE1 TYR 33 -1.807 -4.091 9.565 268 HE2 TYR 33 HE2 TYR 33 -3.477 -1.626 6.468 269 HH TYR 33 HH TYR 33 -2.629 -1.778 9.768 270 H ILE 34 HN ILE 34 -2.581 -5.736 2.728 271 HA ILE 34 HA ILE 34 -5.158 -4.630 3.397 272 HB ILE 34 HB ILE 34 -3.964 -5.661 0.804 273 1HG1 ILE 34 HG12 ILE 34 -2.755 -3.827 2.187 274 2HG1 ILE 34 HG11 ILE 34 -3.033 -3.519 0.479 275 1HG2 ILE 34 HG21 ILE 34 -6.391 -5.423 0.604 276 2HG2 ILE 34 HG22 ILE 34 -5.581 -4.154 -0.313 277 3HG2 ILE 34 HG23 ILE 34 -6.302 -3.786 1.254 278 1HD1 ILE 34 HD11 ILE 34 -3.633 -1.718 2.367 279 2HD1 ILE 34 HD12 ILE 34 -5.141 -2.633 2.398 280 3HD1 ILE 34 HD13 ILE 34 -4.596 -1.882 0.898 281 H ASN 35 HN ASN 35 -4.034 -7.834 2.461 282 HA ASN 35 HA ASN 35 -6.485 -9.057 1.696 283 1HB ASN 35 HB2 ASN 35 -4.094 -9.912 1.535 284 2HB ASN 35 HB1 ASN 35 -4.207 -10.319 3.247 285 1HD2 ASN 35 HD21 ASN 35 -4.018 -12.138 0.807 286 2HD2 ASN 35 HD22 ASN 35 -5.353 -13.178 0.944 287 H ASP 36 HN ASP 36 -5.201 -8.242 4.868 288 HA ASP 36 HA ASP 36 -7.030 -9.920 6.394 289 1HB ASP 36 HB2 ASP 36 -4.791 -9.083 7.145 290 2HB ASP 36 HB1 ASP 36 -5.453 -7.448 7.183 291 H ASN 37 HN ASN 37 -6.940 -6.467 5.490 292 HA ASN 37 HA ASN 37 -9.436 -5.825 6.860 293 1HB ASN 37 HB2 ASN 37 -7.648 -4.449 4.838 294 2HB ASN 37 HB1 ASN 37 -9.102 -3.686 5.491 295 1HD2 ASN 37 HD21 ASN 37 -6.221 -2.912 5.928 296 2HD2 ASN 37 HD22 ASN 37 -5.998 -2.955 7.618 297 H GLY 38 HN GLY 38 -8.508 -6.858 3.625 298 1HA GLY 38 HA2 GLY 38 -9.941 -7.805 1.979 299 2HA GLY 38 HA1 GLY 38 -11.333 -7.319 2.948 300 H ILE 39 HN ILE 39 -8.753 -5.092 2.101 301 HA ILE 39 HA ILE 39 -10.711 -3.574 0.413 302 HB ILE 39 HB ILE 39 -8.286 -2.680 2.011 303 1HG1 ILE 39 HG12 ILE 39 -10.157 -3.411 3.444 304 2HG1 ILE 39 HG11 ILE 39 -9.963 -1.658 3.524 305 1HG2 ILE 39 HG21 ILE 39 -8.536 -1.116 0.251 306 2HG2 ILE 39 HG22 ILE 39 -9.406 -0.390 1.602 307 3HG2 ILE 39 HG23 ILE 39 -10.297 -1.200 0.313 308 1HD1 ILE 39 HD11 ILE 39 -11.767 -1.437 1.792 309 2HD1 ILE 39 HD12 ILE 39 -12.331 -2.164 3.296 310 3HD1 ILE 39 HD13 ILE 39 -12.018 -3.180 1.889 311 H ASP 40 HN ASP 40 -9.817 -5.245 -1.274 312 HA ASP 40 HA ASP 40 -7.260 -4.216 -2.464 313 1HB ASP 40 HB2 ASP 40 -8.609 -6.907 -2.303 314 2HB ASP 40 HB1 ASP 40 -7.444 -6.579 -3.591 315 H GLY 41 HN GLY 41 -8.019 -2.679 -3.940 316 1HA GLY 41 HA2 GLY 41 -9.901 -3.692 -6.028 317 2HA GLY 41 HA1 GLY 41 -10.119 -2.083 -5.334 318 H GLU 42 HN GLU 42 -8.524 -0.450 -5.803 319 HA GLU 42 HA GLU 42 -6.676 -1.122 -8.069 320 1HB GLU 42 HB2 GLU 42 -8.990 0.655 -7.901 321 2HB GLU 42 HB1 GLU 42 -7.544 1.531 -8.397 322 1HG GLU 42 HG2 GLU 42 -7.366 0.398 -10.380 323 2HG GLU 42 HG1 GLU 42 -8.002 -1.102 -9.702 324 H TRP 43 HN TRP 43 -4.614 -0.658 -7.457 325 HA TRP 43 HA TRP 43 -4.122 1.320 -5.282 326 1HB TRP 43 HB2 TRP 43 -2.428 -0.759 -6.705 327 2HB TRP 43 HB1 TRP 43 -1.797 0.324 -5.478 328 HD1 TRP 43 HD1 TRP 43 -5.290 -1.212 -5.042 329 HE1 TRP 43 HE1 TRP 43 -5.198 -2.890 -3.105 330 HE3 TRP 43 HE3 TRP 43 -0.283 -1.204 -4.127 331 HZ2 TRP 43 HZ2 TRP 43 -3.268 -4.046 -1.359 332 HZ3 TRP 43 HZ3 TRP 43 0.657 -2.590 -2.292 333 HH2 TRP 43 HH2 TRP 43 -0.822 -4.004 -0.914 334 H THR 44 HN THR 44 -2.116 2.723 -5.664 335 HA THR 44 HA THR 44 -1.509 3.363 -8.485 336 HB THR 44 HB THR 44 -2.147 5.743 -8.142 337 HG1 THR 44 HG1 THR 44 -2.877 6.406 -6.275 338 1HG2 THR 44 HG21 THR 44 -4.513 3.986 -7.484 339 2HG2 THR 44 HG22 THR 44 -3.733 3.946 -9.065 340 3HG2 THR 44 HG23 THR 44 -4.476 5.437 -8.486 341 H TYR 45 HN TYR 45 0.626 3.886 -8.597 342 HA TYR 45 HA TYR 45 2.126 4.277 -6.066 343 1HB TYR 45 HB2 TYR 45 2.802 2.581 -7.739 344 2HB TYR 45 HB1 TYR 45 2.988 3.848 -8.950 345 HD1 TYR 45 HD1 TYR 45 3.998 3.499 -5.346 346 HD2 TYR 45 HD2 TYR 45 5.224 4.303 -9.383 347 HE1 TYR 45 HE1 TYR 45 6.313 3.916 -4.561 348 HE2 TYR 45 HE2 TYR 45 7.537 4.722 -8.598 349 HH TYR 45 HH TYR 45 8.500 5.528 -6.064 350 H ASP 46 HN ASP 46 3.758 6.047 -5.969 351 HA ASP 46 HA ASP 46 3.244 8.341 -7.820 352 1HB ASP 46 HB2 ASP 46 3.365 8.502 -4.787 353 2HB ASP 46 HB1 ASP 46 3.055 9.837 -5.893 354 H ASP 47 HN ASP 47 5.172 9.101 -8.562 355 HA ASP 47 HA ASP 47 7.710 8.133 -7.548 356 1HB ASP 47 HB2 ASP 47 8.597 9.686 -9.279 357 2HB ASP 47 HB1 ASP 47 7.288 8.685 -9.905 358 H ALA 48 HN ALA 48 5.651 10.611 -6.429 359 HA ALA 48 HA ALA 48 7.344 12.745 -5.705 360 1HB ALA 48 HB1 ALA 48 5.636 12.698 -3.656 361 2HB ALA 48 HB2 ALA 48 4.862 11.447 -4.633 362 3HB ALA 48 HB3 ALA 48 5.079 13.073 -5.287 363 H THR 49 HN THR 49 6.299 10.268 -3.361 364 HA THR 49 HA THR 49 9.082 10.197 -2.247 365 HB THR 49 HB THR 49 7.654 11.706 -0.927 366 HG1 THR 49 HG1 THR 49 8.445 10.873 0.818 367 1HG2 THR 49 HG21 THR 49 5.450 11.309 -0.731 368 2HG2 THR 49 HG22 THR 49 5.797 9.856 0.206 369 3HG2 THR 49 HG23 THR 49 5.650 9.759 -1.550 370 H LYS 50 HN LYS 50 7.719 8.323 -4.034 371 HA LYS 50 HA LYS 50 7.328 6.017 -4.256 372 1HB LYS 50 HB2 LYS 50 8.908 6.038 -1.663 373 2HB LYS 50 HB1 LYS 50 8.667 4.632 -2.698 374 1HG LYS 50 HG2 LYS 50 9.785 5.821 -4.561 375 2HG LYS 50 HG1 LYS 50 10.061 7.203 -3.500 376 1HD LYS 50 HD2 LYS 50 11.732 6.152 -2.340 377 2HD LYS 50 HD1 LYS 50 10.966 4.569 -2.468 378 1HE LYS 50 HE2 LYS 50 11.951 4.105 -4.512 379 2HE LYS 50 HE1 LYS 50 12.016 5.815 -4.983 380 1HZ LYS 50 HZ1 LYS 50 14.213 4.933 -4.346 381 2HZ LYS 50 HZ2 LYS 50 13.615 4.603 -2.791 382 3HZ LYS 50 HZ3 LYS 50 13.712 6.206 -3.344 383 H THR 51 HN THR 51 5.104 7.291 -3.266 384 HA THR 51 HA THR 51 4.187 5.723 -0.896 385 HB THR 51 HB THR 51 3.015 8.087 -2.410 386 HG1 THR 51 HG1 THR 51 3.753 9.243 -0.640 387 1HG2 THR 51 HG21 THR 51 2.099 6.527 -0.003 388 2HG2 THR 51 HG22 THR 51 1.158 7.071 -1.392 389 3HG2 THR 51 HG23 THR 51 1.683 8.233 -0.174 390 H TRP 52 HN TRP 52 1.859 4.884 -1.106 391 HA TRP 52 HA TRP 52 1.237 3.990 -3.900 392 1HB TRP 52 HB2 TRP 52 1.583 2.436 -1.339 393 2HB TRP 52 HB1 TRP 52 0.626 1.799 -2.669 394 HD1 TRP 52 HD1 TRP 52 4.191 2.493 -1.618 395 HE1 TRP 52 HE1 TRP 52 5.792 1.505 -3.387 396 HE3 TRP 52 HE3 TRP 52 0.823 1.237 -5.187 397 HZ2 TRP 52 HZ2 TRP 52 5.638 0.321 -6.000 398 HZ3 TRP 52 HZ3 TRP 52 1.548 0.175 -7.317 399 HH2 TRP 52 HH2 TRP 52 3.953 -0.286 -7.723 400 H THR 53 HN THR 53 -1.009 2.581 -3.508 401 HA THR 53 HA THR 53 -2.848 3.916 -1.633 402 HB THR 53 HB THR 53 -3.424 4.064 -4.594 403 HG1 THR 53 HG1 THR 53 -2.096 5.973 -2.971 404 1HG2 THR 53 HG21 THR 53 -4.500 5.290 -2.076 405 2HG2 THR 53 HG22 THR 53 -5.374 4.536 -3.410 406 3HG2 THR 53 HG23 THR 53 -4.682 6.146 -3.608 407 H VAL 54 HN VAL 54 -5.179 3.007 -2.116 408 HA VAL 54 HA VAL 54 -5.446 0.497 -3.537 409 HB VAL 54 HB VAL 54 -3.980 -0.325 -1.792 410 1HG1 VAL 54 HG11 VAL 54 -5.546 1.536 -0.143 411 2HG1 VAL 54 HG12 VAL 54 -3.877 1.004 0.029 412 3HG1 VAL 54 HG13 VAL 54 -5.187 0.003 0.648 413 1HG2 VAL 54 HG21 VAL 54 -6.338 -1.496 -2.280 414 2HG2 VAL 54 HG22 VAL 54 -6.596 -1.112 -0.579 415 3HG2 VAL 54 HG23 VAL 54 -5.229 -2.124 -1.056 416 H THR 55 HN THR 55 -7.388 1.586 -4.208 417 HA THR 55 HA THR 55 -9.412 2.282 -2.154 418 HB THR 55 HB THR 55 -9.669 2.406 -5.163 419 HG1 THR 55 HG1 THR 55 -8.381 4.237 -3.421 420 1HG2 THR 55 HG21 THR 55 -10.731 4.148 -2.921 421 2HG2 THR 55 HG22 THR 55 -11.653 2.902 -3.762 422 3HG2 THR 55 HG23 THR 55 -11.097 4.330 -4.637 423 H GLU 56 HN GLU 56 -11.049 0.886 -1.624 424 HA GLU 56 HA GLU 56 -11.203 -1.800 -2.588 425 1HB GLU 56 HB2 GLU 56 -12.082 -0.697 -0.427 426 2HB GLU 56 HB1 GLU 56 -13.481 -0.212 -1.385 427 1HG GLU 56 HG2 GLU 56 -13.519 -2.749 -2.085 428 2HG GLU 56 HG1 GLU 56 -12.586 -2.970 -0.604 Start of MODEL 4 1 1H THR 1 HT1 THR 1 15.154 2.998 5.002 2 2H THR 1 HT2 THR 1 15.893 4.229 4.094 3 3H THR 1 HT3 THR 1 15.303 2.836 3.321 4 HA THR 1 HA THR 1 13.674 4.935 4.663 5 HB THR 1 HB THR 1 13.732 4.041 1.775 6 HG1 THR 1 HG1 THR 1 15.224 6.136 2.968 7 1HG2 THR 1 HG21 THR 1 11.812 5.386 2.511 8 2HG2 THR 1 HG22 THR 1 12.835 6.318 1.418 9 3HG2 THR 1 HG23 THR 1 12.906 6.610 3.156 10 H THR 2 HN THR 2 11.571 4.325 5.112 11 HA THR 2 HA THR 2 10.823 1.484 4.592 12 HB THR 2 HB THR 2 9.439 3.525 6.345 13 HG1 THR 2 HG1 THR 2 11.544 3.504 7.022 14 1HG2 THR 2 HG21 THR 2 8.302 1.360 5.873 15 2HG2 THR 2 HG22 THR 2 8.721 1.544 7.576 16 3HG2 THR 2 HG23 THR 2 9.700 0.512 6.534 17 H PHE 3 HN PHE 3 9.109 0.990 3.250 18 HA PHE 3 HA PHE 3 7.999 3.030 1.506 19 1HB PHE 3 HB2 PHE 3 7.239 0.128 2.001 20 2HB PHE 3 HB1 PHE 3 6.747 1.086 0.605 21 HD1 PHE 3 HD1 PHE 3 9.055 2.525 -0.260 22 HD2 PHE 3 HD2 PHE 3 8.860 -1.442 1.391 23 HE1 PHE 3 HE1 PHE 3 11.179 1.941 -1.401 24 HE2 PHE 3 HE2 PHE 3 10.982 -2.019 0.249 25 HZ PHE 3 HZ PHE 3 12.142 -0.329 -1.146 26 H LYS 4 HN LYS 4 5.628 3.444 1.313 27 HA LYS 4 HA LYS 4 4.099 3.049 3.858 28 1HB LYS 4 HB2 LYS 4 5.387 5.299 3.546 29 2HB LYS 4 HB1 LYS 4 4.143 5.663 2.354 30 1HG LYS 4 HG2 LYS 4 2.424 5.113 4.143 31 2HG LYS 4 HG1 LYS 4 3.756 5.084 5.295 32 1HD LYS 4 HD2 LYS 4 3.535 7.313 5.501 33 2HD LYS 4 HD1 LYS 4 4.128 7.461 3.847 34 1HE LYS 4 HE2 LYS 4 1.846 7.348 2.972 35 2HE LYS 4 HE1 LYS 4 1.208 7.066 4.603 36 1HZ LYS 4 HZ1 LYS 4 2.260 9.164 5.294 37 2HZ LYS 4 HZ2 LYS 4 1.078 9.406 4.098 38 3HZ LYS 4 HZ3 LYS 4 2.726 9.453 3.690 39 H LEU 5 HN LEU 5 1.806 3.062 3.556 40 HA LEU 5 HA LEU 5 0.716 3.458 0.827 41 1HB LEU 5 HB2 LEU 5 1.594 1.000 1.406 42 2HB LEU 5 HB1 LEU 5 0.050 0.896 2.238 43 HG LEU 5 HG LEU 5 -0.253 2.095 -0.408 44 1HD1 LEU 5 HD11 LEU 5 1.748 0.410 -0.631 45 2HD1 LEU 5 HD12 LEU 5 0.434 0.358 -1.813 46 3HD1 LEU 5 HD13 LEU 5 0.486 -0.820 -0.491 47 1HD2 LEU 5 HD21 LEU 5 -1.394 -0.359 0.964 48 2HD2 LEU 5 HD22 LEU 5 -1.969 0.279 -0.576 49 3HD2 LEU 5 HD23 LEU 5 -2.128 1.243 0.892 50 H ILE 6 HN ILE 6 -1.382 4.230 0.957 51 HA ILE 6 HA ILE 6 -2.605 4.383 3.685 52 HB ILE 6 HB ILE 6 -2.913 6.038 1.162 53 1HG1 ILE 6 HG12 ILE 6 -0.742 6.289 2.329 54 2HG1 ILE 6 HG11 ILE 6 -1.709 7.758 2.445 55 1HG2 ILE 6 HG21 ILE 6 -4.085 7.627 2.826 56 2HG2 ILE 6 HG22 ILE 6 -4.249 6.211 3.864 57 3HG2 ILE 6 HG23 ILE 6 -4.999 6.226 2.268 58 1HD1 ILE 6 HD11 ILE 6 -2.474 6.233 4.670 59 2HD1 ILE 6 HD12 ILE 6 -1.419 7.645 4.681 60 3HD1 ILE 6 HD13 ILE 6 -0.726 6.028 4.568 61 H ILE 7 HN ILE 7 -4.599 3.454 4.019 62 HA ILE 7 HA ILE 7 -5.778 1.824 1.859 63 HB ILE 7 HB ILE 7 -6.493 2.240 4.784 64 1HG1 ILE 7 HG12 ILE 7 -5.009 -0.059 3.477 65 2HG1 ILE 7 HG11 ILE 7 -4.198 1.286 4.279 66 1HG2 ILE 7 HG21 ILE 7 -7.463 -0.179 4.250 67 2HG2 ILE 7 HG22 ILE 7 -7.563 0.475 2.615 68 3HG2 ILE 7 HG23 ILE 7 -8.419 1.270 3.936 69 1HD1 ILE 7 HD11 ILE 7 -4.349 -0.192 6.053 70 2HD1 ILE 7 HD12 ILE 7 -5.847 -0.912 5.462 71 3HD1 ILE 7 HD13 ILE 7 -5.877 0.667 6.248 72 H ASN 8 HN ASN 8 -7.204 2.823 0.496 73 HA ASN 8 HA ASN 8 -8.944 5.011 1.577 74 1HB ASN 8 HB2 ASN 8 -7.747 4.328 -1.105 75 2HB ASN 8 HB1 ASN 8 -9.141 5.402 -1.004 76 1HD2 ASN 8 HD21 ASN 8 -7.534 7.074 -1.862 77 2HD2 ASN 8 HD22 ASN 8 -6.533 7.873 -0.736 78 H GLY 9 HN GLY 9 -9.878 2.567 2.281 79 1HA GLY 9 HA2 GLY 9 -11.589 1.385 0.234 80 2HA GLY 9 HA1 GLY 9 -11.572 0.953 1.947 81 H LYS 10 HN LYS 10 -13.961 1.331 0.426 82 HA LYS 10 HA LYS 10 -15.191 3.853 0.589 83 1HB LYS 10 HB2 LYS 10 -16.247 1.034 0.877 84 2HB LYS 10 HB1 LYS 10 -17.298 2.440 0.707 85 1HG LYS 10 HG2 LYS 10 -15.104 2.247 -1.277 86 2HG LYS 10 HG1 LYS 10 -16.355 1.010 -1.408 87 1HD LYS 10 HD2 LYS 10 -18.086 2.668 -1.620 88 2HD LYS 10 HD1 LYS 10 -16.968 3.969 -1.211 89 1HE LYS 10 HE2 LYS 10 -15.619 3.207 -3.293 90 2HE LYS 10 HE1 LYS 10 -17.101 2.345 -3.755 91 1HZ LYS 10 HZ1 LYS 10 -16.953 5.221 -3.016 92 2HZ LYS 10 HZ2 LYS 10 -18.351 4.382 -3.495 93 3HZ LYS 10 HZ3 LYS 10 -17.085 4.632 -4.601 94 H THR 11 HN THR 11 -14.521 1.528 3.126 95 HA THR 11 HA THR 11 -15.719 3.413 5.124 96 HB THR 11 HB THR 11 -15.832 0.391 5.274 97 HG1 THR 11 HG1 THR 11 -17.817 2.188 4.343 98 1HG2 THR 11 HG21 THR 11 -16.130 1.940 7.319 99 2HG2 THR 11 HG22 THR 11 -17.383 0.734 7.023 100 3HG2 THR 11 HG23 THR 11 -17.653 2.416 6.568 101 H LEU 12 HN LEU 12 -13.515 0.646 4.604 102 HA LEU 12 HA LEU 12 -12.093 1.088 7.129 103 1HB LEU 12 HB2 LEU 12 -11.544 -0.625 4.681 104 2HB LEU 12 HB1 LEU 12 -10.680 -0.755 6.213 105 HG LEU 12 HG LEU 12 -13.673 -0.900 6.238 106 1HD1 LEU 12 HD11 LEU 12 -11.806 -2.893 5.043 107 2HD1 LEU 12 HD12 LEU 12 -13.499 -2.572 4.668 108 3HD1 LEU 12 HD13 LEU 12 -13.076 -3.517 6.096 109 1HD2 LEU 12 HD21 LEU 12 -12.777 -2.756 7.967 110 2HD2 LEU 12 HD22 LEU 12 -12.904 -1.052 8.405 111 3HD2 LEU 12 HD23 LEU 12 -11.348 -1.723 7.916 112 H LYS 13 HN LYS 13 -10.026 2.024 7.347 113 HA LYS 13 HA LYS 13 -8.573 2.997 4.964 114 1HB LYS 13 HB2 LYS 13 -10.086 4.707 6.931 115 2HB LYS 13 HB1 LYS 13 -8.667 5.352 6.105 116 1HG LYS 13 HG2 LYS 13 -9.805 4.482 3.937 117 2HG LYS 13 HG1 LYS 13 -11.272 4.419 4.914 118 1HD LYS 13 HD2 LYS 13 -11.304 6.737 5.251 119 2HD LYS 13 HD1 LYS 13 -9.585 6.909 4.895 120 1HE LYS 13 HE2 LYS 13 -9.936 7.018 2.631 121 2HE LYS 13 HE1 LYS 13 -11.255 5.831 2.682 122 1HZ LYS 13 HZ1 LYS 13 -11.394 8.643 3.638 123 2HZ LYS 13 HZ2 LYS 13 -12.643 7.500 3.779 124 3HZ LYS 13 HZ3 LYS 13 -12.141 8.028 2.245 125 H GLY 14 HN GLY 14 -6.747 4.634 6.076 126 1HA GLY 14 HA2 GLY 14 -5.470 4.765 8.291 127 2HA GLY 14 HA1 GLY 14 -5.543 3.003 8.274 128 H GLU 15 HN GLU 15 -3.073 4.245 8.373 129 HA GLU 15 HA GLU 15 -2.000 4.022 5.584 130 1HB GLU 15 HB2 GLU 15 -0.111 5.349 6.531 131 2HB GLU 15 HB1 GLU 15 -1.658 6.170 6.725 132 1HG GLU 15 HG2 GLU 15 -1.644 5.951 9.003 133 2HG GLU 15 HG1 GLU 15 -0.862 4.372 8.952 134 H THR 16 HN THR 16 0.227 3.002 5.468 135 HA THR 16 HA THR 16 0.997 1.199 7.667 136 HB THR 16 HB THR 16 -0.873 0.013 6.604 137 HG1 THR 16 HG1 THR 16 0.609 -1.414 7.234 138 1HG2 THR 16 HG21 THR 16 0.733 0.506 4.087 139 2HG2 THR 16 HG22 THR 16 -0.950 0.928 4.410 140 3HG2 THR 16 HG23 THR 16 -0.493 -0.760 4.188 141 H THR 17 HN THR 17 3.100 0.310 7.349 142 HA THR 17 HA THR 17 4.542 1.109 4.850 143 HB THR 17 HB THR 17 6.386 1.918 6.291 144 HG1 THR 17 HG1 THR 17 6.140 0.762 8.124 145 1HG2 THR 17 HG21 THR 17 5.434 3.962 6.358 146 2HG2 THR 17 HG22 THR 17 4.252 3.444 7.559 147 3HG2 THR 17 HG23 THR 17 3.936 3.185 5.844 148 H THR 18 HN THR 18 6.516 -0.182 4.509 149 HA THR 18 HA THR 18 6.795 -2.589 6.221 150 HB THR 18 HB THR 18 5.550 -2.379 3.572 151 HG1 THR 18 HG1 THR 18 4.597 -3.547 5.147 152 1HG2 THR 18 HG21 THR 18 7.787 -4.415 3.832 153 2HG2 THR 18 HG22 THR 18 7.810 -3.003 2.775 154 3HG2 THR 18 HG23 THR 18 6.631 -4.288 2.504 155 H GLU 19 HN GLU 19 8.830 -3.834 5.441 156 HA GLU 19 HA GLU 19 10.927 -1.904 4.496 157 1HB GLU 19 HB2 GLU 19 10.996 -2.421 6.929 158 2HB GLU 19 HB1 GLU 19 11.112 -4.139 6.546 159 1HG GLU 19 HG2 GLU 19 13.238 -3.825 5.448 160 2HG GLU 19 HG1 GLU 19 13.095 -2.071 5.563 161 H ALA 20 HN ALA 20 11.850 -2.612 2.606 162 HA ALA 20 HA ALA 20 12.448 -5.461 2.181 163 1HB ALA 20 HB1 ALA 20 11.022 -5.285 -0.012 164 2HB ALA 20 HB2 ALA 20 10.212 -3.963 0.831 165 3HB ALA 20 HB3 ALA 20 10.197 -5.588 1.517 166 H VAL 21 HN VAL 21 13.336 -5.711 -0.168 167 HA VAL 21 HA VAL 21 15.546 -3.971 -0.571 168 HB VAL 21 HB VAL 21 15.722 -5.179 -2.735 169 1HG1 VAL 21 HG11 VAL 21 14.718 -7.267 -0.856 170 2HG1 VAL 21 HG12 VAL 21 16.021 -6.223 -0.287 171 3HG1 VAL 21 HG13 VAL 21 16.240 -7.191 -1.745 172 1HG2 VAL 21 HG21 VAL 21 12.864 -5.894 -2.068 173 2HG2 VAL 21 HG22 VAL 21 13.845 -6.964 -3.068 174 3HG2 VAL 21 HG23 VAL 21 13.532 -5.310 -3.592 175 H ASP 22 HN ASP 22 12.326 -3.987 -2.089 176 HA ASP 22 HA ASP 22 12.689 -1.152 -2.882 177 1HB ASP 22 HB2 ASP 22 12.045 -3.422 -4.800 178 2HB ASP 22 HB1 ASP 22 12.056 -1.710 -5.222 179 H ALA 23 HN ALA 23 10.583 -0.184 -3.491 180 HA ALA 23 HA ALA 23 8.406 -0.985 -1.825 181 1HB ALA 23 HB1 ALA 23 8.239 1.224 -2.446 182 2HB ALA 23 HB2 ALA 23 7.242 0.555 -3.738 183 3HB ALA 23 HB3 ALA 23 8.939 0.930 -4.038 184 H ALA 24 HN ALA 24 9.307 -1.928 -5.087 185 HA ALA 24 HA ALA 24 6.810 -2.962 -6.017 186 1HB ALA 24 HB1 ALA 24 9.609 -4.028 -6.518 187 2HB ALA 24 HB2 ALA 24 8.952 -2.594 -7.306 188 3HB ALA 24 HB3 ALA 24 8.218 -4.172 -7.591 189 H THR 25 HN THR 25 9.462 -4.516 -4.199 190 HA THR 25 HA THR 25 8.191 -7.100 -3.971 191 HB THR 25 HB THR 25 10.392 -5.645 -2.466 192 HG1 THR 25 HG1 THR 25 10.377 -7.764 -4.346 193 1HG2 THR 25 HG21 THR 25 10.992 -7.788 -1.444 194 2HG2 THR 25 HG22 THR 25 9.626 -8.573 -2.237 195 3HG2 THR 25 HG23 THR 25 9.341 -7.356 -0.989 196 H ALA 26 HN ALA 26 8.500 -4.350 -1.678 197 HA ALA 26 HA ALA 26 6.990 -5.487 0.445 198 1HB ALA 26 HB1 ALA 26 6.600 -2.978 0.968 199 2HB ALA 26 HB2 ALA 26 7.530 -2.664 -0.502 200 3HB ALA 26 HB3 ALA 26 8.275 -3.522 0.846 201 H GLU 27 HN GLU 27 5.897 -3.137 -2.024 202 HA GLU 27 HA GLU 27 3.217 -2.881 -1.485 203 1HB GLU 27 HB2 GLU 27 4.517 -1.830 -3.329 204 2HB GLU 27 HB1 GLU 27 4.463 -3.355 -4.213 205 1HG GLU 27 HG2 GLU 27 1.861 -3.135 -3.834 206 2HG GLU 27 HG1 GLU 27 2.242 -1.425 -3.629 207 H LYS 28 HN LYS 28 4.706 -5.745 -2.999 208 HA LYS 28 HA LYS 28 2.259 -7.078 -3.749 209 1HB LYS 28 HB2 LYS 28 4.971 -8.161 -2.882 210 2HB LYS 28 HB1 LYS 28 3.743 -9.081 -3.751 211 1HG LYS 28 HG2 LYS 28 4.061 -7.899 -5.728 212 2HG LYS 28 HG1 LYS 28 4.686 -6.474 -4.896 213 1HD LYS 28 HD2 LYS 28 6.687 -7.301 -5.672 214 2HD LYS 28 HD1 LYS 28 6.585 -8.240 -4.182 215 1HE LYS 28 HE2 LYS 28 5.781 -10.173 -5.331 216 2HE LYS 28 HE1 LYS 28 5.437 -9.243 -6.803 217 1HZ LYS 28 HZ1 LYS 28 7.756 -8.776 -7.069 218 2HZ LYS 28 HZ2 LYS 28 7.578 -10.457 -6.899 219 3HZ LYS 28 HZ3 LYS 28 8.136 -9.522 -5.594 220 H VAL 29 HN VAL 29 4.290 -7.167 -0.826 221 HA VAL 29 HA VAL 29 2.614 -8.991 0.681 222 HB VAL 29 HB VAL 29 4.774 -6.946 1.285 223 1HG1 VAL 29 HG11 VAL 29 3.244 -6.979 3.243 224 2HG1 VAL 29 HG12 VAL 29 4.809 -7.705 3.624 225 3HG1 VAL 29 HG13 VAL 29 3.409 -8.736 3.325 226 1HG2 VAL 29 HG21 VAL 29 6.176 -8.803 1.525 227 2HG2 VAL 29 HG22 VAL 29 5.098 -9.318 0.228 228 3HG2 VAL 29 HG23 VAL 29 4.834 -9.894 1.874 229 H LEU 30 HN LEU 30 2.744 -5.453 0.280 230 HA LEU 30 HA LEU 30 0.853 -4.818 2.339 231 1HB LEU 30 HB2 LEU 30 1.851 -3.497 -0.190 232 2HB LEU 30 HB1 LEU 30 0.629 -2.716 0.799 233 HG LEU 30 HG LEU 30 3.178 -2.163 1.167 234 1HD1 LEU 30 HD11 LEU 30 1.509 -1.173 2.553 235 2HD1 LEU 30 HD12 LEU 30 2.741 -1.851 3.625 236 3HD1 LEU 30 HD13 LEU 30 1.207 -2.700 3.387 237 1HD2 LEU 30 HD21 LEU 30 2.898 -4.761 2.684 238 2HD2 LEU 30 HD22 LEU 30 4.062 -3.529 3.113 239 3HD2 LEU 30 HD23 LEU 30 4.145 -4.286 1.536 240 H LYS 31 HN LYS 31 0.558 -5.817 -1.025 241 HA LYS 31 HA LYS 31 -2.249 -5.287 -1.430 242 1HB LYS 31 HB2 LYS 31 -0.241 -6.137 -2.988 243 2HB LYS 31 HB1 LYS 31 -0.833 -7.710 -2.511 244 1HG LYS 31 HG2 LYS 31 -2.700 -5.593 -3.584 245 2HG LYS 31 HG1 LYS 31 -1.833 -6.687 -4.660 246 1HD LYS 31 HD2 LYS 31 -3.720 -7.512 -2.429 247 2HD LYS 31 HD1 LYS 31 -4.064 -7.588 -4.156 248 1HE LYS 31 HE2 LYS 31 -1.606 -8.948 -3.819 249 2HE LYS 31 HE1 LYS 31 -2.663 -9.520 -2.508 250 1HZ LYS 31 HZ1 LYS 31 -4.419 -9.904 -4.109 251 2HZ LYS 31 HZ2 LYS 31 -3.030 -10.761 -4.584 252 3HZ LYS 31 HZ3 LYS 31 -3.451 -9.316 -5.372 253 H GLN 32 HN GLN 32 -0.425 -8.087 -0.235 254 HA GLN 32 HA GLN 32 -2.535 -9.914 0.234 255 1HB GLN 32 HB2 GLN 32 0.200 -9.384 1.251 256 2HB GLN 32 HB1 GLN 32 -0.816 -10.433 2.239 257 1HG GLN 32 HG2 GLN 32 -1.248 -11.878 0.301 258 2HG GLN 32 HG1 GLN 32 -0.266 -10.821 -0.714 259 1HE2 GLN 32 HE21 GLN 32 2.002 -11.118 -0.678 260 2HE2 GLN 32 HE22 GLN 32 2.792 -12.236 0.341 261 H TYR 33 HN TYR 33 -1.276 -7.277 2.261 262 HA TYR 33 HA TYR 33 -2.945 -7.726 4.576 263 1HB TYR 33 HB2 TYR 33 -0.936 -6.319 4.582 264 2HB TYR 33 HB1 TYR 33 -1.653 -5.240 3.385 265 HD1 TYR 33 HD1 TYR 33 -2.006 -6.546 6.833 266 HD2 TYR 33 HD2 TYR 33 -3.144 -3.499 4.034 267 HE1 TYR 33 HE1 TYR 33 -3.088 -5.283 8.657 268 HE2 TYR 33 HE2 TYR 33 -4.224 -2.224 5.863 269 HH TYR 33 HH TYR 33 -5.262 -2.870 8.192 270 H ILE 34 HN ILE 34 -3.313 -5.828 1.605 271 HA ILE 34 HA ILE 34 -5.855 -4.615 2.236 272 HB ILE 34 HB ILE 34 -4.491 -5.318 -0.383 273 1HG1 ILE 34 HG12 ILE 34 -3.289 -3.843 1.376 274 2HG1 ILE 34 HG11 ILE 34 -3.391 -3.231 -0.268 275 1HG2 ILE 34 HG21 ILE 34 -6.731 -3.358 0.183 276 2HG2 ILE 34 HG22 ILE 34 -6.856 -4.845 -0.757 277 3HG2 ILE 34 HG23 ILE 34 -5.879 -3.504 -1.355 278 1HD1 ILE 34 HD11 ILE 34 -3.983 -1.656 1.745 279 2HD1 ILE 34 HD12 ILE 34 -5.522 -2.518 1.732 280 3HD1 ILE 34 HD13 ILE 34 -4.996 -1.630 0.301 281 H ASN 35 HN ASN 35 -4.876 -7.724 0.907 282 HA ASN 35 HA ASN 35 -7.312 -8.597 -0.273 283 1HB ASN 35 HB2 ASN 35 -4.998 -9.638 -0.347 284 2HB ASN 35 HB1 ASN 35 -5.303 -10.261 1.275 285 1HD2 ASN 35 HD21 ASN 35 -4.972 -11.832 -1.256 286 2HD2 ASN 35 HD22 ASN 35 -6.405 -12.725 -1.431 287 H ASP 36 HN ASP 36 -6.319 -8.392 3.096 288 HA ASP 36 HA ASP 36 -8.448 -10.087 4.147 289 1HB ASP 36 HB2 ASP 36 -6.066 -9.164 5.049 290 2HB ASP 36 HB1 ASP 36 -7.144 -7.997 5.816 291 H ASN 37 HN ASN 37 -7.862 -6.549 4.243 292 HA ASN 37 HA ASN 37 -10.396 -5.827 5.356 293 1HB ASN 37 HB2 ASN 37 -8.491 -4.337 3.515 294 2HB ASN 37 HB1 ASN 37 -9.777 -3.579 4.461 295 1HD2 ASN 37 HD21 ASN 37 -9.054 -2.754 6.419 296 2HD2 ASN 37 HD22 ASN 37 -7.738 -3.365 7.316 297 H GLY 38 HN GLY 38 -9.344 -6.353 2.012 298 1HA GLY 38 HA2 GLY 38 -10.772 -6.987 0.201 299 2HA GLY 38 HA1 GLY 38 -12.170 -6.518 1.169 300 H ILE 39 HN ILE 39 -9.352 -4.456 0.727 301 HA ILE 39 HA ILE 39 -11.077 -2.558 -0.832 302 HB ILE 39 HB ILE 39 -8.766 -2.073 1.082 303 1HG1 ILE 39 HG12 ILE 39 -10.812 -2.857 2.219 304 2HG1 ILE 39 HG11 ILE 39 -10.516 -1.153 2.574 305 1HG2 ILE 39 HG21 ILE 39 -8.804 -0.298 -0.538 306 2HG2 ILE 39 HG22 ILE 39 -9.584 0.323 0.916 307 3HG2 ILE 39 HG23 ILE 39 -10.562 -0.185 -0.461 308 1HD1 ILE 39 HD11 ILE 39 -12.534 -2.312 0.634 309 2HD1 ILE 39 HD12 ILE 39 -12.104 -0.602 0.659 310 3HD1 ILE 39 HD13 ILE 39 -12.855 -1.343 2.072 311 H ASP 40 HN ASP 40 -10.186 -3.929 -2.716 312 HA ASP 40 HA ASP 40 -7.450 -2.975 -3.505 313 1HB ASP 40 HB2 ASP 40 -8.904 -5.566 -3.641 314 2HB ASP 40 HB1 ASP 40 -7.918 -5.160 -5.050 315 H GLY 41 HN GLY 41 -7.837 -1.255 -4.885 316 1HA GLY 41 HA2 GLY 41 -9.633 -1.770 -7.208 317 2HA GLY 41 HA1 GLY 41 -9.814 -0.269 -6.295 318 H GLU 42 HN GLU 42 -8.059 1.277 -6.352 319 HA GLU 42 HA GLU 42 -6.090 0.823 -8.571 320 1HB GLU 42 HB2 GLU 42 -8.241 2.780 -8.210 321 2HB GLU 42 HB1 GLU 42 -6.686 3.554 -8.510 322 1HG GLU 42 HG2 GLU 42 -6.539 2.749 -10.643 323 2HG GLU 42 HG1 GLU 42 -7.313 1.219 -10.230 324 H TRP 43 HN TRP 43 -4.052 0.972 -7.755 325 HA TRP 43 HA TRP 43 -3.569 2.513 -5.248 326 1HB TRP 43 HB2 TRP 43 -1.961 0.519 -6.878 327 2HB TRP 43 HB1 TRP 43 -1.331 1.330 -5.455 328 HD1 TRP 43 HD1 TRP 43 -4.971 0.093 -5.518 329 HE1 TRP 43 HE1 TRP 43 -5.187 -1.854 -3.863 330 HE3 TRP 43 HE3 TRP 43 -0.081 -0.505 -4.245 331 HZ2 TRP 43 HZ2 TRP 43 -3.516 -3.431 -2.177 332 HZ3 TRP 43 HZ3 TRP 43 0.580 -2.228 -2.582 333 HH2 TRP 43 HH2 TRP 43 -1.124 -3.685 -1.552 334 H THR 44 HN THR 44 -1.517 3.839 -5.234 335 HA THR 44 HA THR 44 -0.571 4.807 -7.868 336 HB THR 44 HB THR 44 -1.090 7.142 -7.277 337 HG1 THR 44 HG1 THR 44 -1.081 7.058 -5.074 338 1HG2 THR 44 HG21 THR 44 -3.419 7.071 -7.736 339 2HG2 THR 44 HG22 THR 44 -3.612 5.522 -6.915 340 3HG2 THR 44 HG23 THR 44 -2.766 5.602 -8.461 341 H TYR 45 HN TYR 45 1.594 5.158 -7.721 342 HA TYR 45 HA TYR 45 2.872 5.050 -5.044 343 1HB TYR 45 HB2 TYR 45 3.584 3.559 -6.885 344 2HB TYR 45 HB1 TYR 45 3.963 4.963 -7.881 345 HD1 TYR 45 HD1 TYR 45 6.252 5.315 -8.059 346 HD2 TYR 45 HD2 TYR 45 4.623 4.015 -4.304 347 HE1 TYR 45 HE1 TYR 45 8.508 5.435 -7.039 348 HE2 TYR 45 HE2 TYR 45 6.879 4.133 -3.284 349 HH TYR 45 HH TYR 45 9.471 3.975 -4.535 350 H ASP 46 HN ASP 46 4.621 6.644 -4.556 351 HA ASP 46 HA ASP 46 4.434 9.218 -6.071 352 1HB ASP 46 HB2 ASP 46 4.307 8.926 -3.048 353 2HB ASP 46 HB1 ASP 46 4.188 10.428 -3.959 354 H ASP 47 HN ASP 47 6.471 9.918 -6.541 355 HA ASP 47 HA ASP 47 8.836 8.599 -5.510 356 1HB ASP 47 HB2 ASP 47 9.977 10.328 -6.892 357 2HB ASP 47 HB1 ASP 47 8.661 9.549 -7.768 358 H ALA 48 HN ALA 48 6.871 11.051 -4.173 359 HA ALA 48 HA ALA 48 8.660 12.875 -2.975 360 1HB ALA 48 HB1 ALA 48 5.980 11.686 -2.330 361 2HB ALA 48 HB2 ALA 48 6.391 13.355 -2.733 362 3HB ALA 48 HB3 ALA 48 6.754 12.722 -1.128 363 H THR 49 HN THR 49 7.157 10.213 -1.140 364 HA THR 49 HA THR 49 9.794 9.692 0.190 365 HB THR 49 HB THR 49 8.361 11.115 1.598 366 HG1 THR 49 HG1 THR 49 8.454 9.837 3.376 367 1HG2 THR 49 HG21 THR 49 6.252 9.298 2.243 368 2HG2 THR 49 HG22 THR 49 6.284 9.487 0.489 369 3HG2 THR 49 HG23 THR 49 6.124 10.904 1.527 370 H LYS 50 HN LYS 50 8.462 8.256 -1.993 371 HA LYS 50 HA LYS 50 7.930 6.054 -2.618 372 1HB LYS 50 HB2 LYS 50 9.145 5.463 0.102 373 2HB LYS 50 HB1 LYS 50 8.992 4.328 -1.236 374 1HG LYS 50 HG2 LYS 50 10.317 6.694 -2.197 375 2HG LYS 50 HG1 LYS 50 11.122 6.159 -0.724 376 1HD LYS 50 HD2 LYS 50 10.734 3.775 -2.038 377 2HD LYS 50 HD1 LYS 50 11.020 4.881 -3.380 378 1HE LYS 50 HE2 LYS 50 12.832 4.835 -0.954 379 2HE LYS 50 HE1 LYS 50 13.116 3.798 -2.365 380 1HZ LYS 50 HZ1 LYS 50 13.145 5.695 -3.788 381 2HZ LYS 50 HZ2 LYS 50 14.220 6.008 -2.509 382 3HZ LYS 50 HZ3 LYS 50 12.683 6.731 -2.527 383 H THR 51 HN THR 51 5.737 7.424 -1.595 384 HA THR 51 HA THR 51 4.428 5.631 0.387 385 HB THR 51 HB THR 51 3.608 8.245 -0.933 386 HG1 THR 51 HG1 THR 51 4.555 7.631 1.668 387 1HG2 THR 51 HG21 THR 51 2.004 8.230 1.117 388 2HG2 THR 51 HG22 THR 51 2.290 6.489 1.132 389 3HG2 THR 51 HG23 THR 51 1.574 7.253 -0.287 390 H TRP 52 HN TRP 52 2.110 4.998 -0.166 391 HA TRP 52 HA TRP 52 1.734 4.495 -3.096 392 1HB TRP 52 HB2 TRP 52 1.747 2.630 -0.729 393 2HB TRP 52 HB1 TRP 52 0.867 2.222 -2.198 394 HD1 TRP 52 HD1 TRP 52 4.355 2.473 -0.785 395 HE1 TRP 52 HE1 TRP 52 6.039 1.614 -2.544 396 HE3 TRP 52 HE3 TRP 52 1.256 2.034 -4.768 397 HZ2 TRP 52 HZ2 TRP 52 6.046 0.833 -5.311 398 HZ3 TRP 52 HZ3 TRP 52 2.098 1.230 -6.966 399 HH2 TRP 52 HH2 TRP 52 4.491 0.627 -7.238 400 H THR 53 HN THR 53 -0.630 3.204 -3.081 401 HA THR 53 HA THR 53 -2.555 4.431 -1.229 402 HB THR 53 HB THR 53 -2.708 5.051 -4.190 403 HG1 THR 53 HG1 THR 53 -1.687 6.620 -2.060 404 1HG2 THR 53 HG21 THR 53 -4.105 6.986 -3.037 405 2HG2 THR 53 HG22 THR 53 -4.239 5.805 -1.735 406 3HG2 THR 53 HG23 THR 53 -4.832 5.410 -3.348 407 H VAL 54 HN VAL 54 -4.859 3.746 -1.928 408 HA VAL 54 HA VAL 54 -5.193 1.526 -3.768 409 HB VAL 54 HB VAL 54 -3.915 0.330 -2.097 410 1HG1 VAL 54 HG11 VAL 54 -5.504 1.999 -0.251 411 2HG1 VAL 54 HG12 VAL 54 -3.848 1.416 -0.108 412 3HG1 VAL 54 HG13 VAL 54 -5.193 0.353 0.300 413 1HG2 VAL 54 HG21 VAL 54 -6.320 -0.553 -2.886 414 2HG2 VAL 54 HG22 VAL 54 -6.652 -0.418 -1.160 415 3HG2 VAL 54 HG23 VAL 54 -5.337 -1.452 -1.724 416 H THR 55 HN THR 55 -6.972 2.952 -4.337 417 HA THR 55 HA THR 55 -9.108 3.410 -2.334 418 HB THR 55 HB THR 55 -9.062 4.112 -5.278 419 HG1 THR 55 HG1 THR 55 -7.880 5.463 -3.083 420 1HG2 THR 55 HG21 THR 55 -11.164 4.446 -3.980 421 2HG2 THR 55 HG22 THR 55 -10.476 5.965 -4.555 422 3HG2 THR 55 HG23 THR 55 -10.279 5.491 -2.868 423 H GLU 56 HN GLU 56 -10.985 2.205 -2.277 424 HA GLU 56 HA GLU 56 -11.210 -0.274 -3.736 425 1HB GLU 56 HB2 GLU 56 -12.163 0.493 -1.444 426 2HB GLU 56 HB1 GLU 56 -13.473 1.206 -2.387 427 1HG GLU 56 HG2 GLU 56 -12.639 -1.677 -2.738 428 2HG GLU 56 HG1 GLU 56 -13.839 -1.193 -1.539 Start of MODEL 5 1 1H THR 1 HT1 THR 1 15.385 1.023 4.249 2 2H THR 1 HT2 THR 1 16.209 1.930 3.074 3 3H THR 1 HT3 THR 1 15.055 0.776 2.604 4 HA THR 1 HA THR 1 14.511 3.309 4.072 5 HB THR 1 HB THR 1 13.624 2.403 1.327 6 HG1 THR 1 HG1 THR 1 15.758 2.457 1.054 7 1HG2 THR 1 HG21 THR 1 12.363 4.263 1.841 8 2HG2 THR 1 HG22 THR 1 13.794 5.062 1.189 9 3HG2 THR 1 HG23 THR 1 13.583 4.917 2.934 10 H THR 2 HN THR 2 12.174 3.650 4.375 11 HA THR 2 HA THR 2 10.671 1.072 4.672 12 HB THR 2 HB THR 2 10.147 3.676 6.112 13 HG1 THR 2 HG1 THR 2 11.909 1.594 6.886 14 1HG2 THR 2 HG21 THR 2 8.614 1.546 6.094 15 2HG2 THR 2 HG22 THR 2 8.942 2.367 7.620 16 3HG2 THR 2 HG23 THR 2 9.823 0.898 7.202 17 H PHE 3 HN PHE 3 9.093 0.865 3.144 18 HA PHE 3 HA PHE 3 8.083 3.165 1.630 19 1HB PHE 3 HB2 PHE 3 7.311 0.225 1.705 20 2HB PHE 3 HB1 PHE 3 6.815 1.374 0.463 21 HD1 PHE 3 HD1 PHE 3 9.072 2.902 -0.264 22 HD2 PHE 3 HD2 PHE 3 8.975 -1.222 0.939 23 HE1 PHE 3 HE1 PHE 3 11.192 2.496 -1.483 24 HE2 PHE 3 HE2 PHE 3 11.095 -1.626 -0.282 25 HZ PHE 3 HZ PHE 3 12.203 0.233 -1.492 26 H LYS 4 HN LYS 4 5.620 3.432 1.428 27 HA LYS 4 HA LYS 4 4.150 2.757 3.939 28 1HB LYS 4 HB2 LYS 4 5.309 4.991 4.104 29 2HB LYS 4 HB1 LYS 4 4.346 5.533 2.742 30 1HG LYS 4 HG2 LYS 4 2.278 5.068 3.990 31 2HG LYS 4 HG1 LYS 4 3.229 4.518 5.367 32 1HD LYS 4 HD2 LYS 4 3.723 6.632 6.029 33 2HD LYS 4 HD1 LYS 4 4.006 7.182 4.378 34 1HE LYS 4 HE2 LYS 4 1.814 7.847 4.081 35 2HE LYS 4 HE1 LYS 4 1.177 6.570 5.138 36 1HZ LYS 4 HZ1 LYS 4 2.767 8.909 6.057 37 2HZ LYS 4 HZ2 LYS 4 2.091 7.704 7.045 38 3HZ LYS 4 HZ3 LYS 4 1.082 8.774 6.194 39 H LEU 5 HN LEU 5 1.877 2.732 3.675 40 HA LEU 5 HA LEU 5 0.737 3.408 1.014 41 1HB LEU 5 HB2 LEU 5 1.597 0.901 1.426 42 2HB LEU 5 HB1 LEU 5 0.040 0.763 2.232 43 HG LEU 5 HG LEU 5 -0.257 2.158 -0.303 44 1HD1 LEU 5 HD11 LEU 5 0.593 -0.709 -0.646 45 2HD1 LEU 5 HD12 LEU 5 1.796 0.585 -0.685 46 3HD1 LEU 5 HD13 LEU 5 0.476 0.574 -1.861 47 1HD2 LEU 5 HD21 LEU 5 -1.950 0.388 -0.653 48 2HD2 LEU 5 HD22 LEU 5 -2.083 1.086 0.961 49 3HD2 LEU 5 HD23 LEU 5 -1.319 -0.488 0.741 50 H ILE 6 HN ILE 6 -1.447 4.011 1.184 51 HA ILE 6 HA ILE 6 -2.568 4.064 3.964 52 HB ILE 6 HB ILE 6 -2.890 5.871 1.549 53 1HG1 ILE 6 HG12 ILE 6 -0.740 6.037 2.780 54 2HG1 ILE 6 HG11 ILE 6 -1.703 7.504 2.949 55 1HG2 ILE 6 HG21 ILE 6 -4.996 5.691 2.892 56 2HG2 ILE 6 HG22 ILE 6 -4.282 7.302 2.948 57 3HG2 ILE 6 HG23 ILE 6 -4.091 6.205 4.316 58 1HD1 ILE 6 HD11 ILE 6 -0.699 5.786 5.012 59 2HD1 ILE 6 HD12 ILE 6 -2.461 5.733 5.055 60 3HD1 ILE 6 HD13 ILE 6 -1.621 7.278 5.187 61 H ILE 7 HN ILE 7 -4.426 2.917 4.282 62 HA ILE 7 HA ILE 7 -5.688 1.474 2.066 63 HB ILE 7 HB ILE 7 -6.370 1.734 5.017 64 1HG1 ILE 7 HG12 ILE 7 -4.837 -0.449 3.571 65 2HG1 ILE 7 HG11 ILE 7 -4.070 0.849 4.487 66 1HG2 ILE 7 HG21 ILE 7 -8.278 0.869 3.824 67 2HG2 ILE 7 HG22 ILE 7 -7.479 -0.505 4.588 68 3HG2 ILE 7 HG23 ILE 7 -7.260 -0.205 2.864 69 1HD1 ILE 7 HD11 ILE 7 -4.212 -0.745 6.152 70 2HD1 ILE 7 HD12 ILE 7 -5.663 -1.479 5.469 71 3HD1 ILE 7 HD13 ILE 7 -5.779 0.035 6.367 72 H ASN 8 HN ASN 8 -7.162 2.510 0.786 73 HA ASN 8 HA ASN 8 -8.899 4.622 2.009 74 1HB ASN 8 HB2 ASN 8 -7.801 4.079 -0.753 75 2HB ASN 8 HB1 ASN 8 -9.155 5.183 -0.515 76 1HD2 ASN 8 HD21 ASN 8 -7.750 7.002 -1.201 77 2HD2 ASN 8 HD22 ASN 8 -6.585 7.635 -0.129 78 H GLY 9 HN GLY 9 -9.709 2.068 2.562 79 1HA GLY 9 HA2 GLY 9 -11.543 1.075 0.502 80 2HA GLY 9 HA1 GLY 9 -11.354 0.414 2.131 81 H LYS 10 HN LYS 10 -13.808 1.247 0.567 82 HA LYS 10 HA LYS 10 -14.997 3.609 1.514 83 1HB LYS 10 HB2 LYS 10 -16.152 0.876 0.895 84 2HB LYS 10 HB1 LYS 10 -17.130 2.332 1.087 85 1HG LYS 10 HG2 LYS 10 -15.923 3.411 -0.759 86 2HG LYS 10 HG1 LYS 10 -14.898 1.986 -0.938 87 1HD LYS 10 HD2 LYS 10 -16.557 0.745 -1.928 88 2HD LYS 10 HD1 LYS 10 -17.840 1.535 -1.010 89 1HE LYS 10 HE2 LYS 10 -16.391 3.305 -2.899 90 2HE LYS 10 HE1 LYS 10 -17.384 2.039 -3.648 91 1HZ LYS 10 HZ1 LYS 10 -18.666 4.065 -3.106 92 2HZ LYS 10 HZ2 LYS 10 -18.309 3.827 -1.462 93 3HZ LYS 10 HZ3 LYS 10 -19.244 2.687 -2.305 94 H THR 11 HN THR 11 -14.625 0.486 3.125 95 HA THR 11 HA THR 11 -15.978 1.614 5.555 96 HB THR 11 HB THR 11 -15.551 -1.294 4.831 97 HG1 THR 11 HG1 THR 11 -17.726 0.427 4.242 98 1HG2 THR 11 HG21 THR 11 -16.157 -1.161 7.090 99 2HG2 THR 11 HG22 THR 11 -17.714 -1.368 6.289 100 3HG2 THR 11 HG23 THR 11 -17.204 0.233 6.825 101 H LEU 12 HN LEU 12 -13.080 0.076 4.288 102 HA LEU 12 HA LEU 12 -11.906 -0.009 7.044 103 1HB LEU 12 HB2 LEU 12 -11.203 -1.410 4.445 104 2HB LEU 12 HB1 LEU 12 -10.315 -1.609 5.956 105 HG LEU 12 HG LEU 12 -13.270 -1.997 6.052 106 1HD1 LEU 12 HD11 LEU 12 -12.669 -4.492 5.456 107 2HD1 LEU 12 HD12 LEU 12 -11.337 -3.752 4.568 108 3HD1 LEU 12 HD13 LEU 12 -13.004 -3.340 4.164 109 1HD2 LEU 12 HD21 LEU 12 -12.345 -3.946 7.515 110 2HD2 LEU 12 HD22 LEU 12 -12.179 -2.297 8.119 111 3HD2 LEU 12 HD23 LEU 12 -10.799 -3.108 7.377 112 H LYS 13 HN LYS 13 -9.846 0.949 7.378 113 HA LYS 13 HA LYS 13 -8.442 2.324 5.186 114 1HB LYS 13 HB2 LYS 13 -10.215 3.662 7.199 115 2HB LYS 13 HB1 LYS 13 -8.748 4.500 6.694 116 1HG LYS 13 HG2 LYS 13 -9.680 3.712 4.276 117 2HG LYS 13 HG1 LYS 13 -11.205 3.887 5.144 118 1HD LYS 13 HD2 LYS 13 -10.301 6.173 5.916 119 2HD LYS 13 HD1 LYS 13 -9.087 5.980 4.650 120 1HE LYS 13 HE2 LYS 13 -11.282 5.389 3.201 121 2HE LYS 13 HE1 LYS 13 -12.014 6.479 4.395 122 1HZ LYS 13 HZ1 LYS 13 -10.188 8.048 3.978 123 2HZ LYS 13 HZ2 LYS 13 -11.117 7.770 2.583 124 3HZ LYS 13 HZ3 LYS 13 -9.597 7.031 2.756 125 H GLY 14 HN GLY 14 -6.707 3.884 6.472 126 1HA GLY 14 HA2 GLY 14 -5.572 3.827 8.803 127 2HA GLY 14 HA1 GLY 14 -5.464 2.092 8.508 128 H GLU 15 HN GLU 15 -3.087 3.108 8.905 129 HA GLU 15 HA GLU 15 -1.910 3.676 6.199 130 1HB GLU 15 HB2 GLU 15 -0.936 4.406 8.984 131 2HB GLU 15 HB1 GLU 15 -0.162 4.875 7.471 132 1HG GLU 15 HG2 GLU 15 -2.702 5.755 7.023 133 2HG GLU 15 HG1 GLU 15 -2.592 5.966 8.769 134 H THR 16 HN THR 16 0.306 2.733 5.897 135 HA THR 16 HA THR 16 1.196 0.628 7.743 136 HB THR 16 HB THR 16 -0.698 -0.440 6.599 137 HG1 THR 16 HG1 THR 16 0.415 -2.223 5.933 138 1HG2 THR 16 HG21 THR 16 -0.887 0.780 4.565 139 2HG2 THR 16 HG22 THR 16 -0.416 -0.849 4.085 140 3HG2 THR 16 HG23 THR 16 0.786 0.442 4.115 141 H THR 17 HN THR 17 3.320 -0.065 7.270 142 HA THR 17 HA THR 17 4.614 1.014 4.797 143 HB THR 17 HB THR 17 6.533 1.663 6.347 144 HG1 THR 17 HG1 THR 17 6.154 1.676 8.484 145 1HG2 THR 17 HG21 THR 17 5.195 3.436 5.496 146 2HG2 THR 17 HG22 THR 17 5.275 3.707 7.236 147 3HG2 THR 17 HG23 THR 17 3.829 2.997 6.520 148 H THR 18 HN THR 18 6.621 -0.151 4.270 149 HA THR 18 HA THR 18 7.100 -2.652 5.796 150 HB THR 18 HB THR 18 5.763 -2.315 3.202 151 HG1 THR 18 HG1 THR 18 5.163 -3.618 5.042 152 1HG2 THR 18 HG21 THR 18 8.018 -2.774 2.302 153 2HG2 THR 18 HG22 THR 18 6.900 -4.103 1.984 154 3HG2 THR 18 HG23 THR 18 8.102 -4.248 3.268 155 H GLU 19 HN GLU 19 9.197 -3.683 4.998 156 HA GLU 19 HA GLU 19 11.127 -1.606 4.012 157 1HB GLU 19 HB2 GLU 19 11.258 -2.122 6.453 158 2HB GLU 19 HB1 GLU 19 11.539 -3.817 6.054 159 1HG GLU 19 HG2 GLU 19 13.445 -2.687 4.514 160 2HG GLU 19 HG1 GLU 19 13.367 -1.484 5.802 161 H ALA 20 HN ALA 20 11.821 -2.255 2.006 162 HA ALA 20 HA ALA 20 12.703 -5.061 1.616 163 1HB ALA 20 HB1 ALA 20 10.481 -5.343 0.937 164 2HB ALA 20 HB2 ALA 20 11.262 -4.920 -0.587 165 3HB ALA 20 HB3 ALA 20 10.363 -3.697 0.313 166 H VAL 21 HN VAL 21 13.519 -5.217 -0.807 167 HA VAL 21 HA VAL 21 15.682 -3.418 -1.181 168 HB VAL 21 HB VAL 21 15.817 -4.505 -3.411 169 1HG1 VAL 21 HG11 VAL 21 15.354 -6.014 -0.889 170 2HG1 VAL 21 HG12 VAL 21 16.783 -5.954 -1.920 171 3HG1 VAL 21 HG13 VAL 21 15.407 -6.958 -2.378 172 1HG2 VAL 21 HG21 VAL 21 13.964 -6.317 -3.769 173 2HG2 VAL 21 HG22 VAL 21 13.610 -4.648 -4.214 174 3HG2 VAL 21 HG23 VAL 21 12.995 -5.305 -2.699 175 H ASP 22 HN ASP 22 12.427 -3.409 -2.628 176 HA ASP 22 HA ASP 22 12.734 -0.530 -3.278 177 1HB ASP 22 HB2 ASP 22 12.082 -2.706 -5.299 178 2HB ASP 22 HB1 ASP 22 12.059 -0.974 -5.631 179 H ALA 23 HN ALA 23 10.608 0.441 -3.796 180 HA ALA 23 HA ALA 23 8.473 -0.483 -2.134 181 1HB ALA 23 HB1 ALA 23 7.242 1.173 -3.874 182 2HB ALA 23 HB2 ALA 23 8.918 1.559 -4.265 183 3HB ALA 23 HB3 ALA 23 8.325 1.771 -2.617 184 H ALA 24 HN ALA 24 9.302 -1.175 -5.480 185 HA ALA 24 HA ALA 24 6.796 -2.191 -6.408 186 1HB ALA 24 HB1 ALA 24 8.195 -3.287 -8.095 187 2HB ALA 24 HB2 ALA 24 9.616 -3.113 -7.065 188 3HB ALA 24 HB3 ALA 24 8.850 -1.684 -7.759 189 H THR 25 HN THR 25 9.532 -3.810 -4.786 190 HA THR 25 HA THR 25 8.333 -6.436 -4.714 191 HB THR 25 HB THR 25 10.529 -5.032 -3.154 192 HG1 THR 25 HG1 THR 25 11.469 -5.472 -4.964 193 1HG2 THR 25 HG21 THR 25 9.846 -7.989 -3.125 194 2HG2 THR 25 HG22 THR 25 9.561 -6.874 -1.785 195 3HG2 THR 25 HG23 THR 25 11.211 -7.226 -2.308 196 H ALA 26 HN ALA 26 8.622 -3.843 -2.246 197 HA ALA 26 HA ALA 26 7.207 -5.161 -0.166 198 1HB ALA 26 HB1 ALA 26 6.754 -2.709 0.534 199 2HB ALA 26 HB2 ALA 26 7.622 -2.264 -0.940 200 3HB ALA 26 HB3 ALA 26 8.443 -3.181 0.322 201 H GLU 27 HN GLU 27 5.964 -2.684 -2.433 202 HA GLU 27 HA GLU 27 3.293 -2.567 -1.808 203 1HB GLU 27 HB2 GLU 27 4.502 -1.342 -3.607 204 2HB GLU 27 HB1 GLU 27 4.473 -2.802 -4.596 205 1HG GLU 27 HG2 GLU 27 1.880 -2.709 -4.139 206 2HG GLU 27 HG1 GLU 27 2.201 -1.007 -3.807 207 H LYS 28 HN LYS 28 4.835 -5.261 -3.561 208 HA LYS 28 HA LYS 28 2.415 -6.625 -4.340 209 1HB LYS 28 HB2 LYS 28 5.184 -7.671 -3.622 210 2HB LYS 28 HB1 LYS 28 3.965 -8.567 -4.528 211 1HG LYS 28 HG2 LYS 28 4.188 -7.228 -6.418 212 2HG LYS 28 HG1 LYS 28 4.795 -5.852 -5.497 213 1HD LYS 28 HD2 LYS 28 6.798 -6.553 -6.379 214 2HD LYS 28 HD1 LYS 28 6.762 -7.613 -4.969 215 1HE LYS 28 HE2 LYS 28 5.780 -9.420 -6.316 216 2HE LYS 28 HE1 LYS 28 5.746 -8.357 -7.737 217 1HZ LYS 28 HZ1 LYS 28 7.767 -9.765 -7.621 218 2HZ LYS 28 HZ2 LYS 28 8.195 -8.982 -6.176 219 3HZ LYS 28 HZ3 LYS 28 8.108 -8.104 -7.628 220 H VAL 29 HN VAL 29 4.525 -6.845 -1.482 221 HA VAL 29 HA VAL 29 2.953 -8.831 -0.069 222 HB VAL 29 HB VAL 29 5.073 -6.770 0.612 223 1HG1 VAL 29 HG11 VAL 29 5.197 -7.672 2.898 224 2HG1 VAL 29 HG12 VAL 29 3.811 -8.715 2.576 225 3HG1 VAL 29 HG13 VAL 29 3.606 -6.960 2.608 226 1HG2 VAL 29 HG21 VAL 29 4.916 -9.754 0.288 227 2HG2 VAL 29 HG22 VAL 29 6.201 -9.044 1.266 228 3HG2 VAL 29 HG23 VAL 29 6.050 -8.615 -0.438 229 H LEU 30 HN LEU 30 2.965 -5.270 -0.206 230 HA LEU 30 HA LEU 30 1.109 -4.847 1.936 231 1HB LEU 30 HB2 LEU 30 1.994 -3.317 -0.517 232 2HB LEU 30 HB1 LEU 30 0.776 -2.650 0.558 233 HG LEU 30 HG LEU 30 3.311 -2.033 0.898 234 1HD1 LEU 30 HD11 LEU 30 1.643 -1.220 2.402 235 2HD1 LEU 30 HD12 LEU 30 2.941 -1.914 3.381 236 3HD1 LEU 30 HD13 LEU 30 1.440 -2.814 3.133 237 1HD2 LEU 30 HD21 LEU 30 4.314 -3.503 2.699 238 2HD2 LEU 30 HD22 LEU 30 4.355 -4.149 1.073 239 3HD2 LEU 30 HD23 LEU 30 3.169 -4.743 2.231 240 H LYS 31 HN LYS 31 0.754 -5.637 -1.475 241 HA LYS 31 HA LYS 31 -2.075 -5.155 -1.775 242 1HB LYS 31 HB2 LYS 31 -0.091 -5.838 -3.440 243 2HB LYS 31 HB1 LYS 31 -0.623 -7.457 -3.054 244 1HG LYS 31 HG2 LYS 31 -2.581 -5.334 -3.932 245 2HG LYS 31 HG1 LYS 31 -1.713 -6.325 -5.102 246 1HD LYS 31 HD2 LYS 31 -3.511 -7.356 -2.883 247 2HD LYS 31 HD1 LYS 31 -3.900 -7.329 -4.602 248 1HE LYS 31 HE2 LYS 31 -1.395 -8.629 -4.422 249 2HE LYS 31 HE1 LYS 31 -2.396 -9.320 -3.124 250 1HZ LYS 31 HZ1 LYS 31 -4.166 -9.707 -4.676 251 2HZ LYS 31 HZ2 LYS 31 -2.754 -10.406 -5.312 252 3HZ LYS 31 HZ3 LYS 31 -3.323 -8.927 -5.924 253 H GLN 32 HN GLN 32 -0.144 -7.974 -0.826 254 HA GLN 32 HA GLN 32 -2.191 -9.888 -0.419 255 1HB GLN 32 HB2 GLN 32 0.565 -9.351 0.537 256 2HB GLN 32 HB1 GLN 32 -0.387 -10.493 1.486 257 1HG GLN 32 HG2 GLN 32 -0.270 -10.735 -1.509 258 2HG GLN 32 HG1 GLN 32 1.014 -11.413 -0.507 259 1HE2 GLN 32 HE21 GLN 32 0.553 -13.646 -0.575 260 2HE2 GLN 32 HE22 GLN 32 -0.946 -14.321 -0.119 261 H TYR 33 HN TYR 33 -0.930 -7.358 1.734 262 HA TYR 33 HA TYR 33 -2.491 -8.008 4.075 263 1HB TYR 33 HB2 TYR 33 -0.520 -6.544 4.086 264 2HB TYR 33 HB1 TYR 33 -1.328 -5.406 3.008 265 HD1 TYR 33 HD1 TYR 33 -1.430 -6.944 6.372 266 HD2 TYR 33 HD2 TYR 33 -2.881 -3.798 3.839 267 HE1 TYR 33 HE1 TYR 33 -2.463 -5.854 8.330 268 HE2 TYR 33 HE2 TYR 33 -3.912 -2.696 5.804 269 HH TYR 33 HH TYR 33 -3.150 -3.083 8.745 270 H ILE 34 HN ILE 34 -3.033 -5.908 1.267 271 HA ILE 34 HA ILE 34 -5.572 -4.815 2.076 272 HB ILE 34 HB ILE 34 -4.320 -5.337 -0.638 273 1HG1 ILE 34 HG12 ILE 34 -3.086 -3.919 1.156 274 2HG1 ILE 34 HG11 ILE 34 -3.264 -3.236 -0.455 275 1HG2 ILE 34 HG21 ILE 34 -5.802 -3.497 -1.432 276 2HG2 ILE 34 HG22 ILE 34 -6.597 -3.496 0.141 277 3HG2 ILE 34 HG23 ILE 34 -6.703 -4.916 -0.898 278 1HD1 ILE 34 HD11 ILE 34 -3.878 -1.873 1.786 279 2HD1 ILE 34 HD12 ILE 34 -5.436 -2.651 1.497 280 3HD1 ILE 34 HD13 ILE 34 -4.723 -1.616 0.259 281 H ASN 35 HN ASN 35 -4.606 -7.886 0.695 282 HA ASN 35 HA ASN 35 -6.979 -8.773 -0.557 283 1HB ASN 35 HB2 ASN 35 -4.663 -9.829 -0.436 284 2HB ASN 35 HB1 ASN 35 -5.118 -10.437 1.156 285 1HD2 ASN 35 HD21 ASN 35 -5.621 -12.624 0.886 286 2HD2 ASN 35 HD22 ASN 35 -6.619 -13.243 -0.339 287 H ASP 36 HN ASP 36 -5.982 -9.357 2.845 288 HA ASP 36 HA ASP 36 -8.427 -10.594 3.666 289 1HB ASP 36 HB2 ASP 36 -7.550 -10.084 5.945 290 2HB ASP 36 HB1 ASP 36 -6.309 -10.758 4.890 291 H ASN 37 HN ASN 37 -7.553 -7.220 3.261 292 HA ASN 37 HA ASN 37 -9.804 -6.193 4.846 293 1HB ASN 37 HB2 ASN 37 -7.876 -4.901 2.884 294 2HB ASN 37 HB1 ASN 37 -8.964 -4.025 3.965 295 1HD2 ASN 37 HD21 ASN 37 -8.709 -4.881 6.409 296 2HD2 ASN 37 HD22 ASN 37 -7.094 -5.041 6.936 297 H GLY 38 HN GLY 38 -9.113 -6.956 1.480 298 1HA GLY 38 HA2 GLY 38 -10.618 -7.203 -0.319 299 2HA GLY 38 HA1 GLY 38 -11.937 -6.817 0.787 300 H ILE 39 HN ILE 39 -9.127 -4.745 0.385 301 HA ILE 39 HA ILE 39 -10.915 -2.685 -0.869 302 HB ILE 39 HB ILE 39 -8.468 -2.387 0.908 303 1HG1 ILE 39 HG12 ILE 39 -10.380 -3.313 2.149 304 2HG1 ILE 39 HG11 ILE 39 -10.101 -1.635 2.624 305 1HG2 ILE 39 HG21 ILE 39 -9.395 -0.001 1.069 306 2HG2 ILE 39 HG22 ILE 39 -10.379 -0.406 -0.338 307 3HG2 ILE 39 HG23 ILE 39 -8.619 -0.443 -0.451 308 1HD1 ILE 39 HD11 ILE 39 -12.286 -2.742 0.858 309 2HD1 ILE 39 HD12 ILE 39 -11.852 -1.034 0.814 310 3HD1 ILE 39 HD13 ILE 39 -12.443 -1.755 2.310 311 H ASP 40 HN ASP 40 -10.087 -3.999 -2.888 312 HA ASP 40 HA ASP 40 -7.418 -2.938 -3.755 313 1HB ASP 40 HB2 ASP 40 -7.448 -4.907 -5.288 314 2HB ASP 40 HB1 ASP 40 -7.586 -5.386 -3.594 315 H GLY 41 HN GLY 41 -7.691 -1.196 -5.093 316 1HA GLY 41 HA2 GLY 41 -9.654 -1.407 -7.305 317 2HA GLY 41 HA1 GLY 41 -9.797 -0.013 -6.229 318 H GLU 42 HN GLU 42 -8.028 1.524 -6.175 319 HA GLU 42 HA GLU 42 -6.107 1.301 -8.466 320 1HB GLU 42 HB2 GLU 42 -8.305 3.178 -7.946 321 2HB GLU 42 HB1 GLU 42 -6.772 3.998 -8.241 322 1HG GLU 42 HG2 GLU 42 -6.646 3.287 -10.415 323 2HG GLU 42 HG1 GLU 42 -7.433 1.747 -10.067 324 H TRP 43 HN TRP 43 -4.069 1.449 -7.643 325 HA TRP 43 HA TRP 43 -3.618 2.841 -5.046 326 1HB TRP 43 HB2 TRP 43 -1.958 1.007 -6.806 327 2HB TRP 43 HB1 TRP 43 -1.348 1.740 -5.334 328 HD1 TRP 43 HD1 TRP 43 -4.950 0.404 -5.476 329 HE1 TRP 43 HE1 TRP 43 -5.107 -1.652 -3.953 330 HE3 TRP 43 HE3 TRP 43 -0.043 -0.136 -4.246 331 HZ2 TRP 43 HZ2 TRP 43 -3.392 -3.288 -2.375 332 HZ3 TRP 43 HZ3 TRP 43 0.670 -1.946 -2.701 333 HH2 TRP 43 HH2 TRP 43 -0.993 -3.515 -1.768 334 H THR 44 HN THR 44 -1.624 4.239 -4.945 335 HA THR 44 HA THR 44 -0.694 5.395 -7.506 336 HB THR 44 HB THR 44 -1.319 7.677 -6.771 337 HG1 THR 44 HG1 THR 44 -2.805 7.781 -4.985 338 1HG2 THR 44 HG21 THR 44 -3.626 7.534 -7.329 339 2HG2 THR 44 HG22 THR 44 -3.768 5.914 -6.647 340 3HG2 THR 44 HG23 THR 44 -2.866 6.165 -8.142 341 H TYR 45 HN TYR 45 1.450 5.853 -7.306 342 HA TYR 45 HA TYR 45 2.742 5.547 -4.673 343 1HB TYR 45 HB2 TYR 45 3.613 4.457 -6.701 344 2HB TYR 45 HB1 TYR 45 3.780 6.024 -7.492 345 HD1 TYR 45 HD1 TYR 45 4.719 4.528 -4.170 346 HD2 TYR 45 HD2 TYR 45 5.948 6.842 -7.572 347 HE1 TYR 45 HE1 TYR 45 6.973 4.796 -3.172 348 HE2 TYR 45 HE2 TYR 45 8.202 7.113 -6.574 349 HH TYR 45 HH TYR 45 9.180 7.061 -4.204 350 H ASP 46 HN ASP 46 4.372 7.209 -3.970 351 HA ASP 46 HA ASP 46 3.828 9.973 -4.980 352 1HB ASP 46 HB2 ASP 46 3.918 9.123 -2.062 353 2HB ASP 46 HB1 ASP 46 3.596 10.745 -2.667 354 H ASP 47 HN ASP 47 5.731 11.043 -5.321 355 HA ASP 47 HA ASP 47 8.289 9.807 -4.698 356 1HB ASP 47 HB2 ASP 47 7.764 11.182 -6.710 357 2HB ASP 47 HB1 ASP 47 7.591 12.597 -5.670 358 H ALA 48 HN ALA 48 6.172 11.638 -2.775 359 HA ALA 48 HA ALA 48 7.829 13.441 -1.356 360 1HB ALA 48 HB1 ALA 48 5.559 13.586 -0.872 361 2HB ALA 48 HB2 ALA 48 6.105 12.667 0.531 362 3HB ALA 48 HB3 ALA 48 5.354 11.832 -0.831 363 H THR 49 HN THR 49 6.790 10.311 0.001 364 HA THR 49 HA THR 49 9.577 9.854 1.009 365 HB THR 49 HB THR 49 8.138 10.881 2.747 366 HG1 THR 49 HG1 THR 49 8.765 9.485 4.231 367 1HG2 THR 49 HG21 THR 49 6.161 9.563 3.561 368 2HG2 THR 49 HG22 THR 49 6.351 8.506 2.160 369 3HG2 THR 49 HG23 THR 49 5.952 10.209 1.932 370 H LYS 50 HN LYS 50 8.267 8.666 -1.286 371 HA LYS 50 HA LYS 50 7.840 6.561 -2.236 372 1HB LYS 50 HB2 LYS 50 9.265 5.696 0.301 373 2HB LYS 50 HB1 LYS 50 9.040 4.695 -1.132 374 1HG LYS 50 HG2 LYS 50 10.358 6.237 -2.476 375 2HG LYS 50 HG1 LYS 50 10.495 7.354 -1.119 376 1HD LYS 50 HD2 LYS 50 12.170 6.164 -0.159 377 2HD LYS 50 HD1 LYS 50 11.364 4.624 -0.454 378 1HE LYS 50 HE2 LYS 50 12.984 4.272 -2.018 379 2HE LYS 50 HE1 LYS 50 12.112 5.455 -3.012 380 1HZ LYS 50 HZ1 LYS 50 13.343 7.225 -1.877 381 2HZ LYS 50 HZ2 LYS 50 14.388 6.170 -2.702 382 3HZ LYS 50 HZ3 LYS 50 14.228 6.064 -1.014 383 H THR 51 HN THR 51 5.626 7.591 -0.997 384 HA THR 51 HA THR 51 4.500 5.536 0.826 385 HB THR 51 HB THR 51 2.940 7.851 -0.269 386 HG1 THR 51 HG1 THR 51 4.021 9.237 1.178 387 1HG2 THR 51 HG21 THR 51 2.640 6.027 1.824 388 2HG2 THR 51 HG22 THR 51 1.706 7.503 1.582 389 3HG2 THR 51 HG23 THR 51 3.132 7.524 2.618 390 H TRP 52 HN TRP 52 1.880 5.424 0.092 391 HA TRP 52 HA TRP 52 1.638 4.848 -2.799 392 1HB TRP 52 HB2 TRP 52 1.746 2.809 -0.585 393 2HB TRP 52 HB1 TRP 52 0.841 2.488 -2.058 394 HD1 TRP 52 HD1 TRP 52 4.350 2.721 -0.706 395 HE1 TRP 52 HE1 TRP 52 6.016 2.050 -2.564 396 HE3 TRP 52 HE3 TRP 52 1.175 2.518 -4.653 397 HZ2 TRP 52 HZ2 TRP 52 5.981 1.494 -5.383 398 HZ3 TRP 52 HZ3 TRP 52 1.990 1.916 -6.923 399 HH2 TRP 52 HH2 TRP 52 4.391 1.402 -7.289 400 H THR 53 HN THR 53 -0.680 3.488 -2.879 401 HA THR 53 HA THR 53 -2.625 4.511 -0.924 402 HB THR 53 HB THR 53 -2.881 5.314 -3.830 403 HG1 THR 53 HG1 THR 53 -2.132 7.374 -3.067 404 1HG2 THR 53 HG21 THR 53 -4.236 7.165 -2.509 405 2HG2 THR 53 HG22 THR 53 -4.292 5.919 -1.262 406 3HG2 THR 53 HG23 THR 53 -4.965 5.598 -2.861 407 H VAL 54 HN VAL 54 -4.915 3.821 -1.673 408 HA VAL 54 HA VAL 54 -5.207 1.706 -3.635 409 HB VAL 54 HB VAL 54 -3.879 0.449 -2.042 410 1HG1 VAL 54 HG11 VAL 54 -3.829 1.349 0.029 411 2HG1 VAL 54 HG12 VAL 54 -5.216 0.311 0.351 412 3HG1 VAL 54 HG13 VAL 54 -5.461 1.995 -0.106 413 1HG2 VAL 54 HG21 VAL 54 -6.588 -0.441 -1.149 414 2HG2 VAL 54 HG22 VAL 54 -5.245 -1.395 -1.787 415 3HG2 VAL 54 HG23 VAL 54 -6.262 -0.450 -2.883 416 H THR 55 HN THR 55 -7.032 3.103 -4.105 417 HA THR 55 HA THR 55 -9.150 3.389 -2.051 418 HB THR 55 HB THR 55 -9.198 4.277 -4.941 419 HG1 THR 55 HG1 THR 55 -8.060 6.083 -4.311 420 1HG2 THR 55 HG21 THR 55 -11.263 4.631 -3.761 421 2HG2 THR 55 HG22 THR 55 -10.452 6.194 -3.864 422 3HG2 THR 55 HG23 THR 55 -10.414 5.279 -2.357 423 H GLU 56 HN GLU 56 -10.847 1.974 -1.955 424 HA GLU 56 HA GLU 56 -11.084 -0.350 -3.595 425 1HB GLU 56 HB2 GLU 56 -12.028 0.254 -1.251 426 2HB GLU 56 HB1 GLU 56 -13.370 0.981 -2.136 427 1HG GLU 56 HG2 GLU 56 -12.571 -1.762 -2.965 428 2HG GLU 56 HG1 GLU 56 -13.357 -1.613 -1.393 Start of MODEL 6 1 1H THR 1 HT1 THR 1 14.988 3.585 4.499 2 2H THR 1 HT2 THR 1 14.172 4.993 4.986 3 3H THR 1 HT3 THR 1 15.604 5.109 4.080 4 HA THR 1 HA THR 1 13.533 5.510 2.763 5 HB THR 1 HB THR 1 15.709 4.891 1.803 6 HG1 THR 1 HG1 THR 1 14.538 4.799 0.081 7 1HG2 THR 1 HG21 THR 1 16.567 2.939 2.582 8 2HG2 THR 1 HG22 THR 1 15.632 2.193 1.286 9 3HG2 THR 1 HG23 THR 1 14.973 2.265 2.920 10 H THR 2 HN THR 2 11.884 4.556 4.478 11 HA THR 2 HA THR 2 11.049 1.775 3.890 12 HB THR 2 HB THR 2 9.765 3.833 5.703 13 HG1 THR 2 HG1 THR 2 11.267 3.415 7.170 14 1HG2 THR 2 HG21 THR 2 9.966 0.820 5.929 15 2HG2 THR 2 HG22 THR 2 8.588 1.661 5.219 16 3HG2 THR 2 HG23 THR 2 8.984 1.898 6.921 17 H PHE 3 HN PHE 3 9.231 1.273 2.681 18 HA PHE 3 HA PHE 3 8.044 3.345 0.994 19 1HB PHE 3 HB2 PHE 3 7.450 0.395 1.414 20 2HB PHE 3 HB1 PHE 3 6.803 1.374 0.097 21 HD1 PHE 3 HD1 PHE 3 8.896 2.956 -0.929 22 HD2 PHE 3 HD2 PHE 3 9.166 -1.013 0.698 23 HE1 PHE 3 HE1 PHE 3 10.963 2.558 -2.240 24 HE2 PHE 3 HE2 PHE 3 11.232 -1.409 -0.614 25 HZ PHE 3 HZ PHE 3 12.130 0.376 -2.082 26 H LYS 4 HN LYS 4 5.603 3.552 0.858 27 HA LYS 4 HA LYS 4 4.205 3.052 3.452 28 1HB LYS 4 HB2 LYS 4 5.268 5.340 3.364 29 2HB LYS 4 HB1 LYS 4 4.250 5.700 1.981 30 1HG LYS 4 HG2 LYS 4 2.235 5.331 3.299 31 2HG LYS 4 HG1 LYS 4 3.203 4.854 4.692 32 1HD LYS 4 HD2 LYS 4 3.986 7.028 5.060 33 2HD LYS 4 HD1 LYS 4 3.650 7.532 3.405 34 1HE LYS 4 HE2 LYS 4 1.713 8.424 4.199 35 2HE LYS 4 HE1 LYS 4 1.140 6.759 4.427 36 1HZ LYS 4 HZ1 LYS 4 2.691 8.389 6.371 37 2HZ LYS 4 HZ2 LYS 4 2.336 6.740 6.574 38 3HZ LYS 4 HZ3 LYS 4 1.080 7.884 6.533 39 H LEU 5 HN LEU 5 1.914 2.957 3.240 40 HA LEU 5 HA LEU 5 0.724 3.292 0.540 41 1HB LEU 5 HB2 LEU 5 1.691 0.877 1.177 42 2HB LEU 5 HB1 LEU 5 0.159 0.756 2.033 43 HG LEU 5 HG LEU 5 -0.250 1.875 -0.621 44 1HD1 LEU 5 HD11 LEU 5 1.858 0.342 -0.886 45 2HD1 LEU 5 HD12 LEU 5 0.521 0.175 -2.031 46 3HD1 LEU 5 HD13 LEU 5 0.699 -0.980 -0.699 47 1HD2 LEU 5 HD21 LEU 5 -1.792 -0.141 -0.738 48 2HD2 LEU 5 HD22 LEU 5 -2.070 0.934 0.633 49 3HD2 LEU 5 HD23 LEU 5 -1.205 -0.586 0.865 50 H ILE 6 HN ILE 6 -1.433 3.915 0.691 51 HA ILE 6 HA ILE 6 -2.558 4.159 3.456 52 HB ILE 6 HB ILE 6 -2.910 5.722 0.882 53 1HG1 ILE 6 HG12 ILE 6 -0.807 6.084 2.154 54 2HG1 ILE 6 HG11 ILE 6 -1.828 7.521 2.156 55 1HG2 ILE 6 HG21 ILE 6 -5.058 5.643 2.095 56 2HG2 ILE 6 HG22 ILE 6 -4.349 7.255 2.185 57 3HG2 ILE 6 HG23 ILE 6 -4.248 6.170 3.571 58 1HD1 ILE 6 HD11 ILE 6 -0.853 6.000 4.400 59 2HD1 ILE 6 HD12 ILE 6 -2.616 5.965 4.396 60 3HD1 ILE 6 HD13 ILE 6 -1.765 7.509 4.407 61 H ILE 7 HN ILE 7 -4.514 3.173 3.879 62 HA ILE 7 HA ILE 7 -5.689 1.429 1.807 63 HB ILE 7 HB ILE 7 -6.332 1.901 4.739 64 1HG1 ILE 7 HG12 ILE 7 -4.845 -0.431 3.513 65 2HG1 ILE 7 HG11 ILE 7 -4.007 1.006 4.101 66 1HG2 ILE 7 HG21 ILE 7 -8.181 0.894 3.358 67 2HG2 ILE 7 HG22 ILE 7 -7.578 -0.176 4.625 68 3HG2 ILE 7 HG23 ILE 7 -7.086 -0.428 2.950 69 1HD1 ILE 7 HD11 ILE 7 -5.448 -1.107 5.633 70 2HD1 ILE 7 HD12 ILE 7 -5.550 0.545 6.244 71 3HD1 ILE 7 HD13 ILE 7 -3.976 -0.227 6.045 72 H ASN 8 HN ASN 8 -7.167 2.367 0.449 73 HA ASN 8 HA ASN 8 -8.987 4.480 1.541 74 1HB ASN 8 HB2 ASN 8 -7.771 3.840 -1.136 75 2HB ASN 8 HB1 ASN 8 -9.256 4.789 -1.063 76 1HD2 ASN 8 HD21 ASN 8 -8.044 6.704 -1.839 77 2HD2 ASN 8 HD22 ASN 8 -7.020 7.559 -0.775 78 H GLY 9 HN GLY 9 -9.725 1.942 2.248 79 1HA GLY 9 HA2 GLY 9 -11.488 0.734 0.251 80 2HA GLY 9 HA1 GLY 9 -11.337 0.234 1.941 81 H LYS 10 HN LYS 10 -13.807 0.697 0.400 82 HA LYS 10 HA LYS 10 -15.100 3.136 0.921 83 1HB LYS 10 HB2 LYS 10 -16.169 0.298 0.915 84 2HB LYS 10 HB1 LYS 10 -17.163 1.745 0.745 85 1HG LYS 10 HG2 LYS 10 -15.501 2.319 -1.208 86 2HG LYS 10 HG1 LYS 10 -15.166 0.587 -1.177 87 1HD LYS 10 HD2 LYS 10 -17.484 0.055 -1.573 88 2HD LYS 10 HD1 LYS 10 -17.960 1.741 -1.363 89 1HE LYS 10 HE2 LYS 10 -17.825 1.759 -3.664 90 2HE LYS 10 HE1 LYS 10 -16.096 1.997 -3.344 91 1HZ LYS 10 HZ1 LYS 10 -15.720 -0.333 -3.432 92 2HZ LYS 10 HZ2 LYS 10 -16.611 0.067 -4.822 93 3HZ LYS 10 HZ3 LYS 10 -17.380 -0.674 -3.501 94 H THR 11 HN THR 11 -14.735 0.298 3.038 95 HA THR 11 HA THR 11 -15.910 1.901 5.288 96 HB THR 11 HB THR 11 -15.734 -1.109 4.973 97 HG1 THR 11 HG1 THR 11 -17.809 -0.997 4.209 98 1HG2 THR 11 HG21 THR 11 -16.175 -0.787 7.213 99 2HG2 THR 11 HG22 THR 11 -17.821 -0.695 6.585 100 3HG2 THR 11 HG23 THR 11 -16.930 0.784 6.946 101 H LEU 12 HN LEU 12 -13.162 0.005 4.196 102 HA LEU 12 HA LEU 12 -11.916 0.180 6.910 103 1HB LEU 12 HB2 LEU 12 -11.317 -1.471 4.435 104 2HB LEU 12 HB1 LEU 12 -10.395 -1.559 5.936 105 HG LEU 12 HG LEU 12 -13.354 -1.842 6.149 106 1HD1 LEU 12 HD11 LEU 12 -12.701 -4.430 5.771 107 2HD1 LEU 12 HD12 LEU 12 -11.572 -3.688 4.638 108 3HD1 LEU 12 HD13 LEU 12 -13.304 -3.407 4.468 109 1HD2 LEU 12 HD21 LEU 12 -11.064 -3.390 7.398 110 2HD2 LEU 12 HD22 LEU 12 -12.738 -3.334 7.950 111 3HD2 LEU 12 HD23 LEU 12 -11.720 -1.900 8.078 112 H LYS 13 HN LYS 13 -9.943 1.250 7.169 113 HA LYS 13 HA LYS 13 -8.489 2.320 4.824 114 1HB LYS 13 HB2 LYS 13 -10.055 3.948 6.833 115 2HB LYS 13 HB1 LYS 13 -8.719 4.652 5.922 116 1HG LYS 13 HG2 LYS 13 -9.878 3.817 3.813 117 2HG LYS 13 HG1 LYS 13 -11.277 3.464 4.828 118 1HD LYS 13 HD2 LYS 13 -11.481 5.781 5.477 119 2HD LYS 13 HD1 LYS 13 -9.958 6.187 4.684 120 1HE LYS 13 HE2 LYS 13 -10.892 6.150 2.571 121 2HE LYS 13 HE1 LYS 13 -12.077 4.902 3.006 122 1HZ LYS 13 HZ1 LYS 13 -13.141 7.070 2.804 123 2HZ LYS 13 HZ2 LYS 13 -12.090 7.714 3.974 124 3HZ LYS 13 HZ3 LYS 13 -13.213 6.513 4.405 125 H GLY 14 HN GLY 14 -6.752 4.016 6.005 126 1HA GLY 14 HA2 GLY 14 -5.635 4.061 8.364 127 2HA GLY 14 HA1 GLY 14 -5.445 2.332 8.083 128 H GLU 15 HN GLU 15 -3.101 3.244 8.424 129 HA GLU 15 HA GLU 15 -1.953 3.852 5.714 130 1HB GLU 15 HB2 GLU 15 -1.050 4.856 8.439 131 2HB GLU 15 HB1 GLU 15 -0.329 5.287 6.890 132 1HG GLU 15 HG2 GLU 15 -2.884 5.957 6.363 133 2HG GLU 15 HG1 GLU 15 -2.889 6.199 8.109 134 H THR 16 HN THR 16 0.305 3.016 5.471 135 HA THR 16 HA THR 16 1.343 1.157 7.496 136 HB THR 16 HB THR 16 -0.488 -0.132 6.487 137 HG1 THR 16 HG1 THR 16 0.723 -1.898 6.025 138 1HG2 THR 16 HG21 THR 16 -0.732 0.914 4.344 139 2HG2 THR 16 HG22 THR 16 -0.256 -0.754 4.035 140 3HG2 THR 16 HG23 THR 16 0.934 0.542 3.898 141 H THR 17 HN THR 17 3.482 0.471 7.024 142 HA THR 17 HA THR 17 4.708 1.419 4.467 143 HB THR 17 HB THR 17 6.614 2.263 5.948 144 HG1 THR 17 HG1 THR 17 6.119 1.291 7.860 145 1HG2 THR 17 HG21 THR 17 3.866 3.515 6.012 146 2HG2 THR 17 HG22 THR 17 5.213 3.904 4.943 147 3HG2 THR 17 HG23 THR 17 5.290 4.334 6.651 148 H THR 18 HN THR 18 6.759 0.300 4.011 149 HA THR 18 HA THR 18 7.376 -2.029 5.741 150 HB THR 18 HB THR 18 5.961 -1.996 3.164 151 HG1 THR 18 HG1 THR 18 5.159 -3.215 4.753 152 1HG2 THR 18 HG21 THR 18 8.383 -3.816 3.358 153 2HG2 THR 18 HG22 THR 18 8.206 -2.455 2.249 154 3HG2 THR 18 HG23 THR 18 7.142 -3.857 2.103 155 H GLU 19 HN GLU 19 9.484 -3.062 4.940 156 HA GLU 19 HA GLU 19 11.299 -1.015 3.707 157 1HB GLU 19 HB2 GLU 19 11.538 -1.225 6.169 158 2HB GLU 19 HB1 GLU 19 11.819 -2.957 5.985 159 1HG GLU 19 HG2 GLU 19 13.953 -2.667 5.215 160 2HG GLU 19 HG1 GLU 19 13.543 -1.195 4.333 161 H ALA 20 HN ALA 20 12.029 -1.843 1.782 162 HA ALA 20 HA ALA 20 13.004 -4.638 1.665 163 1HB ALA 20 HB1 ALA 20 10.539 -3.547 0.364 164 2HB ALA 20 HB2 ALA 20 10.824 -5.146 1.052 165 3HB ALA 20 HB3 ALA 20 11.491 -4.734 -0.528 166 H VAL 21 HN VAL 21 13.757 -5.024 -0.757 167 HA VAL 21 HA VAL 21 15.827 -3.186 -1.389 168 HB VAL 21 HB VAL 21 15.954 -4.504 -3.491 169 1HG1 VAL 21 HG11 VAL 21 15.183 -6.433 -1.316 170 2HG1 VAL 21 HG12 VAL 21 16.584 -5.383 -1.109 171 3HG1 VAL 21 HG13 VAL 21 16.527 -6.523 -2.454 172 1HG2 VAL 21 HG21 VAL 21 14.174 -6.413 -3.609 173 2HG2 VAL 21 HG22 VAL 21 13.731 -4.814 -4.205 174 3HG2 VAL 21 HG23 VAL 21 13.188 -5.341 -2.613 175 H ASP 22 HN ASP 22 12.536 -3.471 -2.721 176 HA ASP 22 HA ASP 22 12.690 -0.670 -3.685 177 1HB ASP 22 HB2 ASP 22 12.083 -3.077 -5.440 178 2HB ASP 22 HB1 ASP 22 11.971 -1.394 -5.953 179 H ALA 23 HN ALA 23 10.490 0.118 -4.289 180 HA ALA 23 HA ALA 23 8.454 -0.691 -2.447 181 1HB ALA 23 HB1 ALA 23 7.069 0.681 -4.275 182 2HB ALA 23 HB2 ALA 23 8.685 1.050 -4.875 183 3HB ALA 23 HB3 ALA 23 8.235 1.489 -3.227 184 H ALA 24 HN ALA 24 9.249 -1.773 -5.695 185 HA ALA 24 HA ALA 24 6.782 -3.016 -6.427 186 1HB ALA 24 HB1 ALA 24 8.411 -2.826 -8.109 187 2HB ALA 24 HB2 ALA 24 8.518 -4.538 -7.699 188 3HB ALA 24 HB3 ALA 24 9.702 -3.401 -7.055 189 H THR 25 HN THR 25 9.620 -4.304 -4.681 190 HA THR 25 HA THR 25 8.529 -6.939 -4.233 191 HB THR 25 HB THR 25 10.697 -5.259 -2.926 192 HG1 THR 25 HG1 THR 25 11.997 -6.753 -4.098 193 1HG2 THR 25 HG21 THR 25 9.834 -6.940 -1.303 194 2HG2 THR 25 HG22 THR 25 11.485 -7.297 -1.819 195 3HG2 THR 25 HG23 THR 25 10.135 -8.210 -2.493 196 H ALA 26 HN ALA 26 8.758 -4.032 -2.141 197 HA ALA 26 HA ALA 26 7.449 -5.111 0.136 198 1HB ALA 26 HB1 ALA 26 7.694 -2.328 -1.034 199 2HB ALA 26 HB2 ALA 26 8.614 -3.029 0.297 200 3HB ALA 26 HB3 ALA 26 6.911 -2.616 0.524 201 H GLU 27 HN GLU 27 6.038 -2.994 -2.382 202 HA GLU 27 HA GLU 27 3.381 -2.925 -1.707 203 1HB GLU 27 HB2 GLU 27 4.488 -1.877 -3.673 204 2HB GLU 27 HB1 GLU 27 4.506 -3.446 -4.477 205 1HG GLU 27 HG2 GLU 27 1.950 -3.464 -4.054 206 2HG GLU 27 HG1 GLU 27 2.131 -1.734 -3.759 207 H LYS 28 HN LYS 28 5.015 -5.749 -3.134 208 HA LYS 28 HA LYS 28 2.650 -7.303 -3.695 209 1HB LYS 28 HB2 LYS 28 5.478 -8.114 -2.908 210 2HB LYS 28 HB1 LYS 28 4.288 -9.187 -3.645 211 1HG LYS 28 HG2 LYS 28 4.390 -8.110 -5.707 212 2HG LYS 28 HG1 LYS 28 4.958 -6.596 -5.001 213 1HD LYS 28 HD2 LYS 28 6.973 -7.316 -5.829 214 2HD LYS 28 HD1 LYS 28 7.013 -8.205 -4.305 215 1HE LYS 28 HE2 LYS 28 5.911 -10.146 -5.494 216 2HE LYS 28 HE1 LYS 28 6.141 -9.261 -7.015 217 1HZ LYS 28 HZ1 LYS 28 8.316 -9.823 -5.072 218 2HZ LYS 28 HZ2 LYS 28 8.478 -9.137 -6.618 219 3HZ LYS 28 HZ3 LYS 28 8.019 -10.764 -6.451 220 H VAL 29 HN VAL 29 4.811 -7.094 -0.870 221 HA VAL 29 HA VAL 29 3.326 -8.938 0.806 222 HB VAL 29 HB VAL 29 5.376 -6.734 1.197 223 1HG1 VAL 29 HG11 VAL 29 4.215 -8.478 3.397 224 2HG1 VAL 29 HG12 VAL 29 3.939 -6.741 3.224 225 3HG1 VAL 29 HG13 VAL 29 5.561 -7.350 3.571 226 1HG2 VAL 29 HG21 VAL 29 6.297 -8.734 0.291 227 2HG2 VAL 29 HG22 VAL 29 5.359 -9.750 1.385 228 3HG2 VAL 29 HG23 VAL 29 6.690 -8.777 2.010 229 H LEU 30 HN LEU 30 3.204 -5.427 0.220 230 HA LEU 30 HA LEU 30 1.366 -4.800 2.328 231 1HB LEU 30 HB2 LEU 30 2.144 -3.564 -0.318 232 2HB LEU 30 HB1 LEU 30 0.929 -2.809 0.698 233 HG LEU 30 HG LEU 30 3.454 -2.075 0.888 234 1HD1 LEU 30 HD11 LEU 30 1.793 -1.115 2.310 235 2HD1 LEU 30 HD12 LEU 30 3.128 -1.643 3.342 236 3HD1 LEU 30 HD13 LEU 30 1.648 -2.606 3.245 237 1HD2 LEU 30 HD21 LEU 30 4.565 -4.121 1.314 238 2HD2 LEU 30 HD22 LEU 30 3.421 -4.585 2.571 239 3HD2 LEU 30 HD23 LEU 30 4.536 -3.265 2.841 240 H LYS 31 HN LYS 31 0.991 -6.055 -0.937 241 HA LYS 31 HA LYS 31 -1.859 -5.712 -1.246 242 1HB LYS 31 HB2 LYS 31 0.124 -6.546 -2.841 243 2HB LYS 31 HB1 LYS 31 -0.342 -8.115 -2.231 244 1HG LYS 31 HG2 LYS 31 -2.388 -6.198 -3.350 245 2HG LYS 31 HG1 LYS 31 -1.502 -7.310 -4.391 246 1HD LYS 31 HD2 LYS 31 -3.232 -8.087 -2.020 247 2HD LYS 31 HD1 LYS 31 -3.644 -8.309 -3.718 248 1HE LYS 31 HE2 LYS 31 -1.093 -9.488 -3.410 249 2HE LYS 31 HE1 LYS 31 -2.049 -10.026 -2.010 250 1HZ LYS 31 HZ1 LYS 31 -3.893 -10.491 -3.591 251 2HZ LYS 31 HZ2 LYS 31 -2.535 -11.483 -3.830 252 3HZ LYS 31 HZ3 LYS 31 -2.832 -10.178 -4.876 253 H GLN 32 HN GLN 32 0.188 -8.305 0.043 254 HA GLN 32 HA GLN 32 -1.781 -10.216 0.742 255 1HB GLN 32 HB2 GLN 32 0.968 -9.465 1.547 256 2HB GLN 32 HB1 GLN 32 0.073 -10.468 2.690 257 1HG GLN 32 HG2 GLN 32 -0.235 -12.204 1.106 258 2HG GLN 32 HG1 GLN 32 0.207 -11.156 -0.243 259 1HE2 GLN 32 HE21 GLN 32 1.856 -11.721 2.916 260 2HE2 GLN 32 HE22 GLN 32 3.338 -12.199 2.221 261 H TYR 33 HN TYR 33 -0.599 -7.367 2.506 262 HA TYR 33 HA TYR 33 -2.107 -7.747 4.940 263 1HB TYR 33 HB2 TYR 33 -0.200 -6.221 4.729 264 2HB TYR 33 HB1 TYR 33 -1.051 -5.281 3.502 265 HD1 TYR 33 HD1 TYR 33 -1.109 -6.329 7.052 266 HD2 TYR 33 HD2 TYR 33 -2.641 -3.611 4.105 267 HE1 TYR 33 HE1 TYR 33 -2.176 -5.003 8.839 268 HE2 TYR 33 HE2 TYR 33 -3.705 -2.272 5.897 269 HH TYR 33 HH TYR 33 -2.931 -2.249 8.888 270 H ILE 34 HN ILE 34 -2.762 -6.084 1.876 271 HA ILE 34 HA ILE 34 -5.336 -4.986 2.564 272 HB ILE 34 HB ILE 34 -4.090 -5.827 -0.072 273 1HG1 ILE 34 HG12 ILE 34 -2.882 -4.141 1.479 274 2HG1 ILE 34 HG11 ILE 34 -3.127 -3.674 -0.198 275 1HG2 ILE 34 HG21 ILE 34 -6.438 -4.001 0.498 276 2HG2 ILE 34 HG22 ILE 34 -6.477 -5.533 -0.374 277 3HG2 ILE 34 HG23 ILE 34 -5.646 -4.143 -1.071 278 1HD1 ILE 34 HD11 ILE 34 -3.699 -1.989 1.746 279 2HD1 ILE 34 HD12 ILE 34 -5.187 -2.931 1.859 280 3HD1 ILE 34 HD13 ILE 34 -4.772 -2.115 0.352 281 H ASN 35 HN ASN 35 -4.256 -8.176 1.598 282 HA ASN 35 HA ASN 35 -6.634 -9.301 0.535 283 1HB ASN 35 HB2 ASN 35 -4.262 -10.231 0.674 284 2HB ASN 35 HB1 ASN 35 -4.628 -10.674 2.341 285 1HD2 ASN 35 HD21 ASN 35 -4.100 -12.563 0.125 286 2HD2 ASN 35 HD22 ASN 35 -5.504 -13.501 -0.050 287 H ASP 36 HN ASP 36 -5.696 -8.615 3.860 288 HA ASP 36 HA ASP 36 -7.739 -10.225 5.145 289 1HB ASP 36 HB2 ASP 36 -5.731 -8.145 5.836 290 2HB ASP 36 HB1 ASP 36 -7.094 -8.296 6.946 291 H ASN 37 HN ASN 37 -7.455 -6.660 4.845 292 HA ASN 37 HA ASN 37 -10.146 -6.082 5.627 293 1HB ASN 37 HB2 ASN 37 -8.054 -4.637 3.978 294 2HB ASN 37 HB1 ASN 37 -9.592 -3.888 4.422 295 1HD2 ASN 37 HD21 ASN 37 -6.905 -3.050 5.356 296 2HD2 ASN 37 HD22 ASN 37 -6.919 -3.214 7.054 297 H GLY 38 HN GLY 38 -8.718 -6.952 2.528 298 1HA GLY 38 HA2 GLY 38 -9.799 -7.708 0.571 299 2HA GLY 38 HA1 GLY 38 -11.346 -7.505 1.395 300 H ILE 39 HN ILE 39 -8.748 -5.151 0.700 301 HA ILE 39 HA ILE 39 -10.780 -3.516 -0.791 302 HB ILE 39 HB ILE 39 -8.492 -2.649 1.010 303 1HG1 ILE 39 HG12 ILE 39 -10.376 -3.633 2.265 304 2HG1 ILE 39 HG11 ILE 39 -10.295 -1.889 2.530 305 1HG2 ILE 39 HG21 ILE 39 -10.659 -0.995 -0.321 306 2HG2 ILE 39 HG22 ILE 39 -8.980 -1.072 -0.854 307 3HG2 ILE 39 HG23 ILE 39 -9.373 -0.387 0.723 308 1HD1 ILE 39 HD11 ILE 39 -12.609 -2.448 2.135 309 2HD1 ILE 39 HD12 ILE 39 -12.195 -3.378 0.695 310 3HD1 ILE 39 HD13 ILE 39 -12.017 -1.624 0.692 311 H ASP 40 HN ASP 40 -10.004 -4.440 -2.820 312 HA ASP 40 HA ASP 40 -7.250 -3.529 -3.599 313 1HB ASP 40 HB2 ASP 40 -8.929 -5.938 -4.345 314 2HB ASP 40 HB1 ASP 40 -7.481 -5.477 -5.247 315 H GLY 41 HN GLY 41 -7.128 -2.235 -5.422 316 1HA GLY 41 HA2 GLY 41 -9.149 -2.207 -7.494 317 2HA GLY 41 HA1 GLY 41 -9.300 -0.802 -6.434 318 H GLU 42 HN GLU 42 -7.740 0.833 -6.550 319 HA GLU 42 HA GLU 42 -5.630 0.488 -8.657 320 1HB GLU 42 HB2 GLU 42 -7.588 2.683 -8.012 321 2HB GLU 42 HB1 GLU 42 -6.085 3.065 -8.853 322 1HG GLU 42 HG2 GLU 42 -7.361 2.588 -10.698 323 2HG GLU 42 HG1 GLU 42 -6.865 0.939 -10.314 324 H TRP 43 HN TRP 43 -3.608 0.673 -7.805 325 HA TRP 43 HA TRP 43 -3.261 2.022 -5.172 326 1HB TRP 43 HB2 TRP 43 -1.626 0.098 -6.841 327 2HB TRP 43 HB1 TRP 43 -0.976 0.877 -5.410 328 HD1 TRP 43 HD1 TRP 43 -4.617 -0.366 -5.571 329 HE1 TRP 43 HE1 TRP 43 -4.870 -2.295 -3.890 330 HE3 TRP 43 HE3 TRP 43 0.225 -0.880 -4.130 331 HZ2 TRP 43 HZ2 TRP 43 -3.230 -3.829 -2.123 332 HZ3 TRP 43 HZ3 TRP 43 0.865 -2.570 -2.425 333 HH2 TRP 43 HH2 TRP 43 -0.854 -4.038 -1.423 334 H THR 44 HN THR 44 -3.390 4.231 -6.187 335 HA THR 44 HA THR 44 -1.575 5.123 -8.221 336 HB THR 44 HB THR 44 -2.139 7.365 -7.279 337 HG1 THR 44 HG1 THR 44 -3.528 7.369 -5.454 338 1HG2 THR 44 HG21 THR 44 -4.164 5.269 -7.887 339 2HG2 THR 44 HG22 THR 44 -3.828 6.785 -8.723 340 3HG2 THR 44 HG23 THR 44 -4.764 6.792 -7.228 341 H TYR 45 HN TYR 45 0.590 5.564 -8.087 342 HA TYR 45 HA TYR 45 1.974 5.167 -5.496 343 1HB TYR 45 HB2 TYR 45 2.737 4.036 -7.541 344 2HB TYR 45 HB1 TYR 45 2.912 5.587 -8.359 345 HD1 TYR 45 HD1 TYR 45 3.983 4.022 -5.108 346 HD2 TYR 45 HD2 TYR 45 5.067 6.431 -8.495 347 HE1 TYR 45 HE1 TYR 45 6.287 4.242 -4.214 348 HE2 TYR 45 HE2 TYR 45 7.369 6.652 -7.602 349 HH TYR 45 HH TYR 45 8.479 6.517 -5.332 350 H ASP 46 HN ASP 46 3.759 6.790 -4.947 351 HA ASP 46 HA ASP 46 3.189 9.562 -5.920 352 1HB ASP 46 HB2 ASP 46 3.501 8.763 -3.004 353 2HB ASP 46 HB1 ASP 46 3.118 10.366 -3.621 354 H ASP 47 HN ASP 47 5.081 10.547 -6.464 355 HA ASP 47 HA ASP 47 7.658 9.294 -5.934 356 1HB ASP 47 HB2 ASP 47 6.793 10.702 -7.945 357 2HB ASP 47 HB1 ASP 47 7.199 12.098 -6.945 358 H ALA 48 HN ALA 48 5.691 11.251 -3.994 359 HA ALA 48 HA ALA 48 7.420 13.148 -2.810 360 1HB ALA 48 HB1 ALA 48 5.198 13.297 -2.150 361 2HB ALA 48 HB2 ALA 48 5.856 12.445 -0.753 362 3HB ALA 48 HB3 ALA 48 5.015 11.545 -2.019 363 H THR 49 HN THR 49 6.542 10.094 -1.197 364 HA THR 49 HA THR 49 9.404 9.727 -0.383 365 HB THR 49 HB THR 49 8.082 10.814 1.410 366 HG1 THR 49 HG1 THR 49 9.407 9.559 2.457 367 1HG2 THR 49 HG21 THR 49 6.287 8.400 1.048 368 2HG2 THR 49 HG22 THR 49 5.852 10.091 0.798 369 3HG2 THR 49 HG23 THR 49 6.191 9.499 2.426 370 H LYS 50 HN LYS 50 7.957 8.419 -2.517 371 HA LYS 50 HA LYS 50 7.531 6.268 -3.346 372 1HB LYS 50 HB2 LYS 50 9.002 5.451 -0.818 373 2HB LYS 50 HB1 LYS 50 8.790 4.461 -2.258 374 1HG LYS 50 HG2 LYS 50 9.941 7.075 -2.893 375 2HG LYS 50 HG1 LYS 50 10.932 6.178 -1.744 376 1HD LYS 50 HD2 LYS 50 10.305 4.205 -3.527 377 2HD LYS 50 HD1 LYS 50 10.364 5.609 -4.592 378 1HE LYS 50 HE2 LYS 50 12.569 4.895 -2.627 379 2HE LYS 50 HE1 LYS 50 12.598 4.482 -4.353 380 1HZ LYS 50 HZ1 LYS 50 13.679 6.591 -4.052 381 2HZ LYS 50 HZ2 LYS 50 12.355 7.203 -3.181 382 3HZ LYS 50 HZ3 LYS 50 12.198 6.855 -4.836 383 H THR 51 HN THR 51 5.469 7.492 -1.816 384 HA THR 51 HA THR 51 4.363 5.538 0.073 385 HB THR 51 HB THR 51 2.810 7.762 -1.235 386 HG1 THR 51 HG1 THR 51 3.856 9.231 0.129 387 1HG2 THR 51 HG21 THR 51 2.778 7.750 1.628 388 2HG2 THR 51 HG22 THR 51 2.528 6.097 1.064 389 3HG2 THR 51 HG23 THR 51 1.459 7.388 0.517 390 H TRP 52 HN TRP 52 1.791 5.163 -0.521 391 HA TRP 52 HA TRP 52 1.453 4.401 -3.365 392 1HB TRP 52 HB2 TRP 52 1.725 2.546 -1.008 393 2HB TRP 52 HB1 TRP 52 0.794 2.074 -2.423 394 HD1 TRP 52 HD1 TRP 52 4.325 2.567 -1.209 395 HE1 TRP 52 HE1 TRP 52 5.965 1.830 -3.066 396 HE3 TRP 52 HE3 TRP 52 1.043 1.914 -5.013 397 HZ2 TRP 52 HZ2 TRP 52 5.869 1.053 -5.831 398 HZ3 TRP 52 HZ3 TRP 52 1.815 1.172 -7.259 399 HH2 TRP 52 HH2 TRP 52 4.225 0.740 -7.668 400 H THR 53 HN THR 53 -0.793 2.949 -3.258 401 HA THR 53 HA THR 53 -2.720 4.035 -1.315 402 HB THR 53 HB THR 53 -3.264 4.526 -4.237 403 HG1 THR 53 HG1 THR 53 -1.439 5.660 -4.075 404 1HG2 THR 53 HG21 THR 53 -5.177 5.069 -3.101 405 2HG2 THR 53 HG22 THR 53 -4.324 6.600 -2.896 406 3HG2 THR 53 HG23 THR 53 -4.314 5.404 -1.599 407 H VAL 54 HN VAL 54 -5.047 3.230 -2.171 408 HA VAL 54 HA VAL 54 -5.207 0.884 -3.829 409 HB VAL 54 HB VAL 54 -3.833 -0.144 -2.108 410 1HG1 VAL 54 HG11 VAL 54 -5.605 1.422 -0.327 411 2HG1 VAL 54 HG12 VAL 54 -3.888 1.063 -0.179 412 3HG1 VAL 54 HG13 VAL 54 -5.083 -0.149 0.279 413 1HG2 VAL 54 HG21 VAL 54 -6.185 -1.217 -2.872 414 2HG2 VAL 54 HG22 VAL 54 -6.489 -1.091 -1.140 415 3HG2 VAL 54 HG23 VAL 54 -5.107 -2.022 -1.726 416 H THR 55 HN THR 55 -6.985 2.542 -4.250 417 HA THR 55 HA THR 55 -9.171 2.708 -2.290 418 HB THR 55 HB THR 55 -9.117 3.556 -5.198 419 HG1 THR 55 HG1 THR 55 -8.204 5.476 -4.436 420 1HG2 THR 55 HG21 THR 55 -10.600 4.475 -2.726 421 2HG2 THR 55 HG22 THR 55 -11.286 3.796 -4.202 422 3HG2 THR 55 HG23 THR 55 -10.561 5.403 -4.225 423 H GLU 56 HN GLU 56 -11.013 1.447 -2.315 424 HA GLU 56 HA GLU 56 -11.107 -0.945 -3.975 425 1HB GLU 56 HB2 GLU 56 -12.037 -0.204 -1.530 426 2HB GLU 56 HB1 GLU 56 -13.505 -0.014 -2.489 427 1HG GLU 56 HG2 GLU 56 -11.901 -2.499 -2.899 428 2HG GLU 56 HG1 GLU 56 -12.841 -2.367 -1.412 Start of MODEL 7 1 1H THR 1 HT1 THR 1 14.468 7.133 3.395 2 2H THR 1 HT2 THR 1 14.882 5.594 2.807 3 3H THR 1 HT3 THR 1 13.750 5.751 4.065 4 HA THR 1 HA THR 1 12.193 6.853 2.574 5 HB THR 1 HB THR 1 14.324 6.300 0.490 6 HG1 THR 1 HG1 THR 1 15.258 7.984 1.292 7 1HG2 THR 1 HG21 THR 1 12.184 6.477 -0.530 8 2HG2 THR 1 HG22 THR 1 12.921 8.067 -0.723 9 3HG2 THR 1 HG23 THR 1 11.706 7.804 0.528 10 H THR 2 HN THR 2 11.580 4.647 3.541 11 HA THR 2 HA THR 2 12.026 2.294 1.823 12 HB THR 2 HB THR 2 12.025 2.148 4.282 13 HG1 THR 2 HG1 THR 2 10.836 0.347 4.342 14 1HG2 THR 2 HG21 THR 2 9.383 2.302 5.064 15 2HG2 THR 2 HG22 THR 2 9.528 3.658 3.946 16 3HG2 THR 2 HG23 THR 2 10.599 3.549 5.343 17 H PHE 3 HN PHE 3 9.672 0.965 1.803 18 HA PHE 3 HA PHE 3 8.111 2.396 -0.212 19 1HB PHE 3 HB2 PHE 3 7.683 -0.267 1.188 20 2HB PHE 3 HB1 PHE 3 6.902 0.246 -0.306 21 HD1 PHE 3 HD1 PHE 3 8.937 1.424 -1.926 22 HD2 PHE 3 HD2 PHE 3 9.277 -1.915 0.754 23 HE1 PHE 3 HE1 PHE 3 10.874 0.580 -3.224 24 HE2 PHE 3 HE2 PHE 3 11.213 -2.759 -0.544 25 HZ PHE 3 HZ PHE 3 12.013 -1.512 -2.532 26 H LYS 4 HN LYS 4 5.874 2.988 -0.008 27 HA LYS 4 HA LYS 4 4.710 2.956 2.744 28 1HB LYS 4 HB2 LYS 4 5.999 5.079 2.238 29 2HB LYS 4 HB1 LYS 4 4.848 5.392 0.948 30 1HG LYS 4 HG2 LYS 4 2.995 5.377 2.555 31 2HG LYS 4 HG1 LYS 4 4.119 5.022 3.865 32 1HD LYS 4 HD2 LYS 4 4.940 7.159 3.927 33 2HD LYS 4 HD1 LYS 4 4.770 7.384 2.186 34 1HE LYS 4 HE2 LYS 4 2.976 8.692 2.749 35 2HE LYS 4 HE1 LYS 4 2.133 7.151 3.006 36 1HZ LYS 4 HZ1 LYS 4 3.736 8.612 5.040 37 2HZ LYS 4 HZ2 LYS 4 2.959 7.120 5.281 38 3HZ LYS 4 HZ3 LYS 4 2.043 8.523 5.000 39 H LEU 5 HN LEU 5 2.402 3.094 2.750 40 HA LEU 5 HA LEU 5 0.996 3.213 0.132 41 1HB LEU 5 HB2 LEU 5 1.735 0.813 1.052 42 2HB LEU 5 HB1 LEU 5 0.296 1.015 2.044 43 HG LEU 5 HG LEU 5 -0.242 1.781 -0.715 44 1HD1 LEU 5 HD11 LEU 5 0.158 -0.203 -1.886 45 2HD1 LEU 5 HD12 LEU 5 0.319 -1.159 -0.403 46 3HD1 LEU 5 HD13 LEU 5 1.614 -0.060 -0.894 47 1HD2 LEU 5 HD21 LEU 5 -1.348 -0.349 1.142 48 2HD2 LEU 5 HD22 LEU 5 -2.075 0.114 -0.397 49 3HD2 LEU 5 HD23 LEU 5 -1.982 1.282 0.922 50 H ILE 6 HN ILE 6 -1.040 4.131 0.343 51 HA ILE 6 HA ILE 6 -1.871 4.916 3.111 52 HB ILE 6 HB ILE 6 -2.342 6.119 0.367 53 1HG1 ILE 6 HG12 ILE 6 -0.045 6.353 1.279 54 2HG1 ILE 6 HG11 ILE 6 -0.869 7.908 1.184 55 1HG2 ILE 6 HG21 ILE 6 -3.145 8.090 1.908 56 2HG2 ILE 6 HG22 ILE 6 -3.436 6.807 3.082 57 3HG2 ILE 6 HG23 ILE 6 -4.263 6.781 1.525 58 1HD1 ILE 6 HD11 ILE 6 0.206 6.551 3.506 59 2HD1 ILE 6 HD12 ILE 6 -1.515 6.866 3.724 60 3HD1 ILE 6 HD13 ILE 6 -0.412 8.197 3.372 61 H ILE 7 HN ILE 7 -3.676 3.915 3.862 62 HA ILE 7 HA ILE 7 -5.312 2.206 2.143 63 HB ILE 7 HB ILE 7 -5.548 3.072 5.047 64 1HG1 ILE 7 HG12 ILE 7 -4.403 0.525 3.857 65 2HG1 ILE 7 HG11 ILE 7 -3.422 1.888 4.399 66 1HG2 ILE 7 HG21 ILE 7 -7.667 2.190 4.408 67 2HG2 ILE 7 HG22 ILE 7 -6.823 0.842 5.171 68 3HG2 ILE 7 HG23 ILE 7 -6.930 0.934 3.413 69 1HD1 ILE 7 HD11 ILE 7 -4.869 1.594 6.614 70 2HD1 ILE 7 HD12 ILE 7 -3.425 0.620 6.334 71 3HD1 ILE 7 HD13 ILE 7 -5.022 -0.057 6.012 72 H ASN 8 HN ASN 8 -6.882 3.093 0.866 73 HA ASN 8 HA ASN 8 -8.315 5.542 1.829 74 1HB ASN 8 HB2 ASN 8 -7.524 4.399 -0.834 75 2HB ASN 8 HB1 ASN 8 -8.915 5.478 -0.750 76 1HD2 ASN 8 HD21 ASN 8 -7.557 7.042 -2.032 77 2HD2 ASN 8 HD22 ASN 8 -6.400 7.994 -1.216 78 H GLY 9 HN GLY 9 -9.236 3.283 3.033 79 1HA GLY 9 HA2 GLY 9 -11.369 2.030 1.455 80 2HA GLY 9 HA1 GLY 9 -11.023 1.723 3.162 81 H LYS 10 HN LYS 10 -13.638 2.251 1.970 82 HA LYS 10 HA LYS 10 -14.618 4.866 2.264 83 1HB LYS 10 HB2 LYS 10 -15.878 2.177 2.873 84 2HB LYS 10 HB1 LYS 10 -16.789 3.676 2.690 85 1HG LYS 10 HG2 LYS 10 -15.652 3.908 0.403 86 2HG LYS 10 HG1 LYS 10 -15.154 2.228 0.602 87 1HD LYS 10 HD2 LYS 10 -17.193 2.064 -0.575 88 2HD LYS 10 HD1 LYS 10 -17.654 1.761 1.100 89 1HE LYS 10 HE2 LYS 10 -18.828 3.727 1.267 90 2HE LYS 10 HE1 LYS 10 -17.677 4.613 0.246 91 1HZ LYS 10 HZ1 LYS 10 -18.525 3.573 -1.690 92 2HZ LYS 10 HZ2 LYS 10 -19.875 4.136 -0.826 93 3HZ LYS 10 HZ3 LYS 10 -19.468 2.487 -0.791 94 H THR 11 HN THR 11 -13.800 2.502 4.735 95 HA THR 11 HA THR 11 -14.546 4.506 6.842 96 HB THR 11 HB THR 11 -14.652 1.500 7.150 97 HG1 THR 11 HG1 THR 11 -16.535 1.473 6.208 98 1HG2 THR 11 HG21 THR 11 -15.660 3.902 8.645 99 2HG2 THR 11 HG22 THR 11 -14.801 2.489 9.259 100 3HG2 THR 11 HG23 THR 11 -16.499 2.359 8.802 101 H LEU 12 HN LEU 12 -12.486 1.711 6.011 102 HA LEU 12 HA LEU 12 -10.646 2.220 8.249 103 1HB LEU 12 HB2 LEU 12 -10.595 0.349 5.857 104 2HB LEU 12 HB1 LEU 12 -9.466 0.278 7.211 105 HG LEU 12 HG LEU 12 -12.368 0.286 7.880 106 1HD1 LEU 12 HD11 LEU 12 -12.827 -1.870 7.174 107 2HD1 LEU 12 HD12 LEU 12 -11.128 -2.341 7.167 108 3HD1 LEU 12 HD13 LEU 12 -11.772 -1.346 5.862 109 1HD2 LEU 12 HD21 LEU 12 -11.628 -1.043 9.715 110 2HD2 LEU 12 HD22 LEU 12 -10.367 0.170 9.490 111 3HD2 LEU 12 HD23 LEU 12 -10.127 -1.473 8.895 112 H LYS 13 HN LYS 13 -8.672 3.276 8.086 113 HA LYS 13 HA LYS 13 -7.494 3.904 5.453 114 1HB LYS 13 HB2 LYS 13 -8.945 5.843 7.228 115 2HB LYS 13 HB1 LYS 13 -7.564 6.416 6.291 116 1HG LYS 13 HG2 LYS 13 -8.845 5.052 4.357 117 2HG LYS 13 HG1 LYS 13 -10.233 5.486 5.356 118 1HD LYS 13 HD2 LYS 13 -8.154 7.487 4.436 119 2HD LYS 13 HD1 LYS 13 -9.661 7.183 3.571 120 1HE LYS 13 HE2 LYS 13 -10.977 7.881 5.496 121 2HE LYS 13 HE1 LYS 13 -9.511 8.037 6.484 122 1HZ LYS 13 HZ1 LYS 13 -10.188 9.574 4.034 123 2HZ LYS 13 HZ2 LYS 13 -8.664 9.612 4.783 124 3HZ LYS 13 HZ3 LYS 13 -10.034 10.184 5.609 125 H GLY 14 HN GLY 14 -5.591 5.659 6.053 126 1HA GLY 14 HA2 GLY 14 -4.131 6.201 8.100 127 2HA GLY 14 HA1 GLY 14 -4.155 4.459 8.381 128 H GLU 15 HN GLU 15 -1.694 5.435 8.110 129 HA GLU 15 HA GLU 15 -0.904 4.978 5.252 130 1HB GLU 15 HB2 GLU 15 0.528 6.390 7.533 131 2HB GLU 15 HB1 GLU 15 1.089 6.306 5.865 132 1HG GLU 15 HG2 GLU 15 -0.069 8.201 5.465 133 2HG GLU 15 HG1 GLU 15 -1.547 7.264 5.677 134 H THR 16 HN THR 16 1.095 3.702 4.939 135 HA THR 16 HA THR 16 2.124 2.146 7.231 136 HB THR 16 HB THR 16 0.044 0.987 6.619 137 HG1 THR 16 HG1 THR 16 2.328 -0.381 5.647 138 1HG2 THR 16 HG21 THR 16 1.265 1.053 3.853 139 2HG2 THR 16 HG22 THR 16 -0.328 1.617 4.361 140 3HG2 THR 16 HG23 THR 16 0.014 -0.110 4.295 141 H THR 17 HN THR 17 4.091 1.036 6.706 142 HA THR 17 HA THR 17 5.154 1.417 3.936 143 HB THR 17 HB THR 17 7.308 2.142 5.092 144 HG1 THR 17 HG1 THR 17 7.254 1.942 7.167 145 1HG2 THR 17 HG21 THR 17 5.990 3.822 4.008 146 2HG2 THR 17 HG22 THR 17 6.402 4.460 5.600 147 3HG2 THR 17 HG23 THR 17 4.791 3.806 5.302 148 H THR 18 HN THR 18 6.954 -0.056 3.466 149 HA THR 18 HA THR 18 7.427 -2.217 5.442 150 HB THR 18 HB THR 18 5.698 -2.295 3.082 151 HG1 THR 18 HG1 THR 18 5.281 -3.136 5.176 152 1HG2 THR 18 HG21 THR 18 6.470 -4.361 2.068 153 2HG2 THR 18 HG22 THR 18 7.842 -4.441 3.174 154 3HG2 THR 18 HG23 THR 18 7.755 -3.156 1.968 155 H GLU 19 HN GLU 19 9.378 -3.457 4.901 156 HA GLU 19 HA GLU 19 11.244 -1.973 3.079 157 1HB GLU 19 HB2 GLU 19 11.413 -2.362 5.776 158 2HB GLU 19 HB1 GLU 19 12.288 -3.779 5.192 159 1HG GLU 19 HG2 GLU 19 13.412 -1.962 3.591 160 2HG GLU 19 HG1 GLU 19 12.967 -0.883 4.915 161 H ALA 20 HN ALA 20 11.863 -3.148 1.306 162 HA ALA 20 HA ALA 20 12.269 -6.067 1.498 163 1HB ALA 20 HB1 ALA 20 10.062 -6.357 0.968 164 2HB ALA 20 HB2 ALA 20 10.612 -5.991 -0.668 165 3HB ALA 20 HB3 ALA 20 9.904 -4.719 0.330 166 H VAL 21 HN VAL 21 12.762 -6.874 -0.889 167 HA VAL 21 HA VAL 21 15.092 -5.568 -1.846 168 HB VAL 21 HB VAL 21 14.809 -7.113 -3.773 169 1HG1 VAL 21 HG11 VAL 21 15.734 -8.348 -2.075 170 2HG1 VAL 21 HG12 VAL 21 14.188 -9.190 -2.176 171 3HG1 VAL 21 HG13 VAL 21 14.441 -7.956 -0.942 172 1HG2 VAL 21 HG21 VAL 21 12.692 -8.633 -3.548 173 2HG2 VAL 21 HG22 VAL 21 12.524 -7.063 -4.331 174 3HG2 VAL 21 HG23 VAL 21 12.008 -7.273 -2.659 175 H ASP 22 HN ASP 22 11.720 -5.337 -2.964 176 HA ASP 22 HA ASP 22 12.355 -2.765 -4.305 177 1HB ASP 22 HB2 ASP 22 11.117 -5.184 -5.666 178 2HB ASP 22 HB1 ASP 22 11.308 -3.593 -6.402 179 H ALA 23 HN ALA 23 10.330 -1.595 -4.865 180 HA ALA 23 HA ALA 23 8.347 -1.698 -2.810 181 1HB ALA 23 HB1 ALA 23 7.594 -0.569 -5.447 182 2HB ALA 23 HB2 ALA 23 9.116 0.028 -4.786 183 3HB ALA 23 HB3 ALA 23 7.624 0.207 -3.863 184 H ALA 24 HN ALA 24 8.514 -3.224 -5.993 185 HA ALA 24 HA ALA 24 5.790 -4.029 -6.278 186 1HB ALA 24 HB1 ALA 24 7.636 -4.128 -7.985 187 2HB ALA 24 HB2 ALA 24 6.724 -5.633 -7.864 188 3HB ALA 24 HB3 ALA 24 8.313 -5.502 -7.109 189 H THR 25 HN THR 25 8.554 -5.667 -4.724 190 HA THR 25 HA THR 25 7.154 -8.043 -3.931 191 HB THR 25 HB THR 25 9.606 -6.562 -2.920 192 HG1 THR 25 HG1 THR 25 9.610 -7.568 -5.003 193 1HG2 THR 25 HG21 THR 25 10.189 -8.569 -1.637 194 2HG2 THR 25 HG22 THR 25 8.679 -9.340 -2.122 195 3HG2 THR 25 HG23 THR 25 8.646 -7.921 -1.070 196 H ALA 26 HN ALA 26 7.787 -4.960 -2.240 197 HA ALA 26 HA ALA 26 6.599 -5.638 0.248 198 1HB ALA 26 HB1 ALA 26 7.968 -3.675 0.006 199 2HB ALA 26 HB2 ALA 26 6.347 -3.100 0.411 200 3HB ALA 26 HB3 ALA 26 6.923 -3.027 -1.259 201 H GLU 27 HN GLU 27 5.113 -3.616 -2.329 202 HA GLU 27 HA GLU 27 2.561 -3.332 -1.353 203 1HB GLU 27 HB2 GLU 27 1.869 -3.111 -3.708 204 2HB GLU 27 HB1 GLU 27 3.442 -2.366 -3.441 205 1HG GLU 27 HG2 GLU 27 4.583 -4.055 -4.582 206 2HG GLU 27 HG1 GLU 27 3.292 -5.229 -4.349 207 H LYS 28 HN LYS 28 3.876 -6.349 -2.629 208 HA LYS 28 HA LYS 28 1.339 -7.718 -2.962 209 1HB LYS 28 HB2 LYS 28 4.147 -8.727 -2.350 210 2HB LYS 28 HB1 LYS 28 2.817 -9.726 -2.936 211 1HG LYS 28 HG2 LYS 28 2.823 -8.726 -5.052 212 2HG LYS 28 HG1 LYS 28 3.629 -7.270 -4.468 213 1HD LYS 28 HD2 LYS 28 5.478 -8.239 -5.397 214 2HD LYS 28 HD1 LYS 28 5.517 -9.135 -3.878 215 1HE LYS 28 HE2 LYS 28 4.873 -11.095 -4.876 216 2HE LYS 28 HE1 LYS 28 3.750 -10.274 -5.978 217 1HZ LYS 28 HZ1 LYS 28 6.714 -10.335 -6.170 218 2HZ LYS 28 HZ2 LYS 28 5.720 -9.348 -7.132 219 3HZ LYS 28 HZ3 LYS 28 5.612 -11.040 -7.249 220 H VAL 29 HN VAL 29 3.723 -7.467 -0.332 221 HA VAL 29 HA VAL 29 2.244 -9.093 1.575 222 HB VAL 29 HB VAL 29 4.513 -7.081 1.635 223 1HG1 VAL 29 HG11 VAL 29 3.268 -6.792 3.765 224 2HG1 VAL 29 HG12 VAL 29 4.847 -7.537 4.029 225 3HG1 VAL 29 HG13 VAL 29 3.389 -8.530 4.057 226 1HG2 VAL 29 HG21 VAL 29 4.389 -10.011 2.399 227 2HG2 VAL 29 HG22 VAL 29 5.841 -9.029 2.202 228 3HG2 VAL 29 HG23 VAL 29 4.846 -9.423 0.800 229 H LEU 30 HN LEU 30 2.362 -5.637 0.745 230 HA LEU 30 HA LEU 30 0.781 -4.709 2.954 231 1HB LEU 30 HB2 LEU 30 1.400 -3.713 0.166 232 2HB LEU 30 HB1 LEU 30 0.376 -2.788 1.248 233 HG LEU 30 HG LEU 30 2.974 -2.307 1.115 234 1HD1 LEU 30 HD11 LEU 30 1.374 -2.458 3.669 235 2HD1 LEU 30 HD12 LEU 30 1.566 -1.070 2.594 236 3HD1 LEU 30 HD13 LEU 30 2.943 -1.652 3.541 237 1HD2 LEU 30 HD21 LEU 30 4.131 -3.448 3.054 238 2HD2 LEU 30 HD22 LEU 30 3.912 -4.428 1.620 239 3HD2 LEU 30 HD23 LEU 30 2.864 -4.657 3.016 240 H LYS 31 HN LYS 31 0.030 -6.071 -0.209 241 HA LYS 31 HA LYS 31 -2.790 -5.518 -0.323 242 1HB LYS 31 HB2 LYS 31 -1.018 -6.634 -1.988 243 2HB LYS 31 HB1 LYS 31 -1.565 -8.110 -1.232 244 1HG LYS 31 HG2 LYS 31 -3.527 -6.101 -2.336 245 2HG LYS 31 HG1 LYS 31 -2.816 -7.348 -3.359 246 1HD LYS 31 HD2 LYS 31 -4.416 -7.825 -0.823 247 2HD LYS 31 HD1 LYS 31 -4.973 -8.117 -2.469 248 1HE LYS 31 HE2 LYS 31 -2.507 -9.487 -2.259 249 2HE LYS 31 HE1 LYS 31 -3.396 -9.853 -0.762 250 1HZ LYS 31 HZ1 LYS 31 -4.091 -11.365 -2.502 251 2HZ LYS 31 HZ2 LYS 31 -4.456 -10.068 -3.537 252 3HZ LYS 31 HZ3 LYS 31 -5.370 -10.317 -2.126 253 H GLN 32 HN GLN 32 -0.885 -8.196 1.009 254 HA GLN 32 HA GLN 32 -2.961 -9.863 1.979 255 1HB GLN 32 HB2 GLN 32 -0.098 -9.341 2.513 256 2HB GLN 32 HB1 GLN 32 -0.983 -10.161 3.800 257 1HG GLN 32 HG2 GLN 32 -0.216 -11.936 2.450 258 2HG GLN 32 HG1 GLN 32 -1.883 -11.701 1.923 259 1HE2 GLN 32 HE21 GLN 32 1.075 -12.290 0.641 260 2HE2 GLN 32 HE22 GLN 32 0.938 -11.452 -0.839 261 H TYR 33 HN TYR 33 -1.383 -7.034 3.445 262 HA TYR 33 HA TYR 33 -2.748 -7.112 5.996 263 1HB TYR 33 HB2 TYR 33 -0.707 -5.818 5.578 264 2HB TYR 33 HB1 TYR 33 -1.527 -4.866 4.343 265 HD1 TYR 33 HD1 TYR 33 -1.469 -5.684 7.950 266 HD2 TYR 33 HD2 TYR 33 -2.897 -2.999 4.922 267 HE1 TYR 33 HE1 TYR 33 -2.273 -4.147 9.703 268 HE2 TYR 33 HE2 TYR 33 -3.698 -1.447 6.680 269 HH TYR 33 HH TYR 33 -4.440 -1.759 9.210 270 H ILE 34 HN ILE 34 -3.406 -5.557 2.876 271 HA ILE 34 HA ILE 34 -5.806 -4.152 3.626 272 HB ILE 34 HB ILE 34 -4.808 -5.284 0.991 273 1HG1 ILE 34 HG12 ILE 34 -3.352 -3.638 2.355 274 2HG1 ILE 34 HG11 ILE 34 -3.652 -3.245 0.668 275 1HG2 ILE 34 HG21 ILE 34 -7.210 -4.743 0.892 276 2HG2 ILE 34 HG22 ILE 34 -6.266 -3.620 -0.086 277 3HG2 ILE 34 HG23 ILE 34 -6.870 -3.120 1.493 278 1HD1 ILE 34 HD11 ILE 34 -5.169 -2.121 3.045 279 2HD1 ILE 34 HD12 ILE 34 -5.449 -1.703 1.354 280 3HD1 ILE 34 HD13 ILE 34 -3.925 -1.269 2.128 281 H ASN 35 HN ASN 35 -5.118 -7.467 2.670 282 HA ASN 35 HA ASN 35 -7.724 -8.359 1.945 283 1HB ASN 35 HB2 ASN 35 -5.460 -9.509 1.725 284 2HB ASN 35 HB1 ASN 35 -5.595 -9.919 3.435 285 1HD2 ASN 35 HD21 ASN 35 -6.598 -10.827 0.244 286 2HD2 ASN 35 HD22 ASN 35 -7.670 -12.061 0.702 287 H ASP 36 HN ASP 36 -6.255 -7.758 5.085 288 HA ASP 36 HA ASP 36 -8.300 -9.166 6.630 289 1HB ASP 36 HB2 ASP 36 -5.844 -8.646 7.213 290 2HB ASP 36 HB1 ASP 36 -6.397 -7.009 7.568 291 H ASN 37 HN ASN 37 -7.631 -5.778 5.747 292 HA ASN 37 HA ASN 37 -9.865 -4.691 7.274 293 1HB ASN 37 HB2 ASN 37 -8.132 -3.610 5.024 294 2HB ASN 37 HB1 ASN 37 -9.243 -2.631 5.989 295 1HD2 ASN 37 HD21 ASN 37 -6.300 -2.331 5.898 296 2HD2 ASN 37 HD22 ASN 37 -5.741 -2.606 7.487 297 H GLY 38 HN GLY 38 -9.330 -5.695 3.916 298 1HA GLY 38 HA2 GLY 38 -11.044 -6.447 2.422 299 2HA GLY 38 HA1 GLY 38 -12.254 -5.731 3.487 300 H ILE 39 HN ILE 39 -9.396 -3.984 2.419 301 HA ILE 39 HA ILE 39 -11.189 -2.160 0.851 302 HB ILE 39 HB ILE 39 -8.575 -1.668 2.321 303 1HG1 ILE 39 HG12 ILE 39 -10.476 -2.070 3.840 304 2HG1 ILE 39 HG11 ILE 39 -9.993 -0.373 3.889 305 1HG2 ILE 39 HG21 ILE 39 -8.599 -0.066 0.604 306 2HG2 ILE 39 HG22 ILE 39 -9.378 0.782 1.939 307 3HG2 ILE 39 HG23 ILE 39 -10.355 0.090 0.644 308 1HD1 ILE 39 HD11 ILE 39 -12.396 -0.412 3.761 309 2HD1 ILE 39 HD12 ILE 39 -12.365 -1.567 2.428 310 3HD1 ILE 39 HD13 ILE 39 -11.807 0.087 2.175 311 H ASP 40 HN ASP 40 -10.718 -3.847 -0.931 312 HA ASP 40 HA ASP 40 -8.068 -3.294 -2.231 313 1HB ASP 40 HB2 ASP 40 -9.941 -5.683 -2.309 314 2HB ASP 40 HB1 ASP 40 -8.489 -5.536 -3.306 315 H GLY 41 HN GLY 41 -8.417 -1.792 -3.838 316 1HA GLY 41 HA2 GLY 41 -10.608 -2.323 -5.773 317 2HA GLY 41 HA1 GLY 41 -10.531 -0.722 -5.030 318 H GLU 42 HN GLU 42 -8.731 0.654 -5.548 319 HA GLU 42 HA GLU 42 -7.111 -0.244 -7.910 320 1HB GLU 42 HB2 GLU 42 -9.041 1.942 -7.532 321 2HB GLU 42 HB1 GLU 42 -7.501 2.493 -8.191 322 1HG GLU 42 HG2 GLU 42 -7.765 1.339 -10.154 323 2HG GLU 42 HG1 GLU 42 -8.639 0.015 -9.381 324 H TRP 43 HN TRP 43 -4.981 -0.175 -7.372 325 HA TRP 43 HA TRP 43 -4.056 1.663 -5.212 326 1HB TRP 43 HB2 TRP 43 -2.852 -0.715 -6.664 327 2HB TRP 43 HB1 TRP 43 -1.963 0.243 -5.495 328 HD1 TRP 43 HD1 TRP 43 -5.666 -0.634 -4.923 329 HE1 TRP 43 HE1 TRP 43 -5.810 -2.230 -2.922 330 HE3 TRP 43 HE3 TRP 43 -0.713 -1.438 -4.108 331 HZ2 TRP 43 HZ2 TRP 43 -4.057 -3.628 -1.164 332 HZ3 TRP 43 HZ3 TRP 43 0.033 -2.895 -2.238 333 HH2 TRP 43 HH2 TRP 43 -1.630 -3.986 -0.771 334 H THR 44 HN THR 44 -1.933 2.781 -5.647 335 HA THR 44 HA THR 44 -1.227 3.227 -8.485 336 HB THR 44 HB THR 44 -1.537 5.678 -8.240 337 HG1 THR 44 HG1 THR 44 -2.819 6.326 -6.397 338 1HG2 THR 44 HG21 THR 44 -3.905 5.693 -8.524 339 2HG2 THR 44 HG22 THR 44 -4.106 4.264 -7.510 340 3HG2 THR 44 HG23 THR 44 -3.363 4.117 -9.102 341 H TYR 45 HN TYR 45 0.960 3.465 -8.607 342 HA TYR 45 HA TYR 45 2.519 3.646 -6.102 343 1HB TYR 45 HB2 TYR 45 3.023 1.977 -7.849 344 2HB TYR 45 HB1 TYR 45 3.273 3.266 -9.025 345 HD1 TYR 45 HD1 TYR 45 4.383 2.615 -5.491 346 HD2 TYR 45 HD2 TYR 45 5.511 3.645 -9.504 347 HE1 TYR 45 HE1 TYR 45 6.748 2.815 -4.775 348 HE2 TYR 45 HE2 TYR 45 7.876 3.847 -8.789 349 HH TYR 45 HH TYR 45 9.199 2.598 -6.445 350 H ASP 46 HN ASP 46 4.309 5.249 -5.938 351 HA ASP 46 HA ASP 46 3.945 7.693 -7.634 352 1HB ASP 46 HB2 ASP 46 4.280 7.627 -4.613 353 2HB ASP 46 HB1 ASP 46 4.036 9.060 -5.606 354 H ASP 47 HN ASP 47 5.889 8.383 -8.419 355 HA ASP 47 HA ASP 47 8.375 7.071 -7.687 356 1HB ASP 47 HB2 ASP 47 9.303 8.679 -9.343 357 2HB ASP 47 HB1 ASP 47 7.857 7.875 -9.951 358 H ALA 48 HN ALA 48 6.655 9.597 -6.190 359 HA ALA 48 HA ALA 48 8.630 11.475 -5.423 360 1HB ALA 48 HB1 ALA 48 6.434 12.026 -4.869 361 2HB ALA 48 HB2 ALA 48 7.026 11.481 -3.299 362 3HB ALA 48 HB3 ALA 48 6.062 10.395 -4.304 363 H THR 49 HN THR 49 7.385 9.029 -3.151 364 HA THR 49 HA THR 49 10.195 8.495 -2.244 365 HB THR 49 HB THR 49 8.996 10.067 -0.750 366 HG1 THR 49 HG1 THR 49 10.073 8.996 0.678 367 1HG2 THR 49 HG21 THR 49 6.965 7.824 -0.574 368 2HG2 THR 49 HG22 THR 49 6.701 9.417 -1.284 369 3HG2 THR 49 HG23 THR 49 6.967 9.259 0.454 370 H LYS 50 HN LYS 50 8.545 6.948 -4.087 371 HA LYS 50 HA LYS 50 7.852 4.733 -4.455 372 1HB LYS 50 HB2 LYS 50 9.446 4.329 -1.901 373 2HB LYS 50 HB1 LYS 50 9.013 3.065 -3.050 374 1HG LYS 50 HG2 LYS 50 10.298 4.197 -4.812 375 2HG LYS 50 HG1 LYS 50 10.710 5.495 -3.691 376 1HD LYS 50 HD2 LYS 50 12.255 4.228 -2.576 377 2HD LYS 50 HD1 LYS 50 11.324 2.742 -2.765 378 1HE LYS 50 HE2 LYS 50 12.294 2.233 -4.795 379 2HE LYS 50 HE1 LYS 50 12.478 3.940 -5.248 380 1HZ LYS 50 HZ1 LYS 50 14.178 4.166 -3.533 381 2HZ LYS 50 HZ2 LYS 50 14.621 2.983 -4.669 382 3HZ LYS 50 HZ3 LYS 50 14.029 2.522 -3.144 383 H THR 51 HN THR 51 5.900 6.295 -3.280 384 HA THR 51 HA THR 51 4.798 4.875 -0.929 385 HB THR 51 HB THR 51 3.294 6.956 -2.471 386 HG1 THR 51 HG1 THR 51 4.867 8.313 -2.388 387 1HG2 THR 51 HG21 THR 51 2.267 7.252 -0.485 388 2HG2 THR 51 HG22 THR 51 3.802 7.368 0.374 389 3HG2 THR 51 HG23 THR 51 3.093 5.787 0.047 390 H TRP 52 HN TRP 52 2.117 4.838 -1.401 391 HA TRP 52 HA TRP 52 1.529 3.559 -3.999 392 1HB TRP 52 HB2 TRP 52 1.744 2.150 -1.346 393 2HB TRP 52 HB1 TRP 52 0.657 1.552 -2.592 394 HD1 TRP 52 HD1 TRP 52 4.297 1.754 -1.660 395 HE1 TRP 52 HE1 TRP 52 5.695 0.480 -3.418 396 HE3 TRP 52 HE3 TRP 52 0.709 0.914 -5.140 397 HZ2 TRP 52 HZ2 TRP 52 5.314 -0.746 -5.988 398 HZ3 TRP 52 HZ3 TRP 52 1.225 -0.310 -7.242 399 HH2 TRP 52 HH2 TRP 52 3.525 -1.142 -7.666 400 H THR 53 HN THR 53 -0.881 2.445 -3.504 401 HA THR 53 HA THR 53 -2.519 4.116 -1.723 402 HB THR 53 HB THR 53 -2.968 4.206 -4.718 403 HG1 THR 53 HG1 THR 53 -1.139 5.328 -4.489 404 1HG2 THR 53 HG21 THR 53 -4.198 6.358 -3.878 405 2HG2 THR 53 HG22 THR 53 -4.166 5.547 -2.313 406 3HG2 THR 53 HG23 THR 53 -4.978 4.789 -3.683 407 H VAL 54 HN VAL 54 -4.904 3.484 -1.998 408 HA VAL 54 HA VAL 54 -5.624 1.039 -3.370 409 HB VAL 54 HB VAL 54 -4.186 -0.017 -1.747 410 1HG1 VAL 54 HG11 VAL 54 -4.893 0.449 0.779 411 2HG1 VAL 54 HG12 VAL 54 -5.385 1.995 0.089 412 3HG1 VAL 54 HG13 VAL 54 -3.715 1.457 -0.058 413 1HG2 VAL 54 HG21 VAL 54 -5.637 -1.568 -0.840 414 2HG2 VAL 54 HG22 VAL 54 -6.747 -0.772 -1.963 415 3HG2 VAL 54 HG23 VAL 54 -6.755 -0.333 -0.255 416 H THR 55 HN THR 55 -7.394 2.475 -3.902 417 HA THR 55 HA THR 55 -9.163 3.413 -1.719 418 HB THR 55 HB THR 55 -9.586 3.615 -4.707 419 HG1 THR 55 HG1 THR 55 -8.029 5.026 -4.834 420 1HG2 THR 55 HG21 THR 55 -10.605 5.790 -4.021 421 2HG2 THR 55 HG22 THR 55 -10.296 5.365 -2.336 422 3HG2 THR 55 HG23 THR 55 -11.413 4.398 -3.300 423 H GLU 56 HN GLU 56 -11.107 2.425 -1.214 424 HA GLU 56 HA GLU 56 -11.669 -0.249 -2.191 425 1HB GLU 56 HB2 GLU 56 -12.142 0.789 0.098 426 2HB GLU 56 HB1 GLU 56 -13.498 1.621 -0.663 427 1HG GLU 56 HG2 GLU 56 -13.233 -1.337 -1.055 428 2HG GLU 56 HG1 GLU 56 -13.848 -0.740 0.487 Start of MODEL 8 1 1H THR 1 HT1 THR 1 15.169 3.385 5.232 2 2H THR 1 HT2 THR 1 14.082 4.625 4.822 3 3H THR 1 HT3 THR 1 15.604 4.543 4.071 4 HA THR 1 HA THR 1 14.061 3.704 2.494 5 HB THR 1 HB THR 1 14.942 1.366 2.374 6 HG1 THR 1 HG1 THR 1 16.094 0.576 4.091 7 1HG2 THR 1 HG21 THR 1 16.321 3.413 1.788 8 2HG2 THR 1 HG22 THR 1 17.256 1.981 2.217 9 3HG2 THR 1 HG23 THR 1 17.051 3.284 3.388 10 H THR 2 HN THR 2 11.947 4.189 3.728 11 HA THR 2 HA THR 2 10.666 1.613 4.588 12 HB THR 2 HB THR 2 9.981 4.393 5.572 13 HG1 THR 2 HG1 THR 2 11.906 4.248 6.432 14 1HG2 THR 2 HG21 THR 2 9.628 1.816 7.067 15 2HG2 THR 2 HG22 THR 2 8.477 2.248 5.803 16 3HG2 THR 2 HG23 THR 2 8.702 3.312 7.191 17 H PHE 3 HN PHE 3 9.111 1.051 3.129 18 HA PHE 3 HA PHE 3 8.064 2.933 1.158 19 1HB PHE 3 HB2 PHE 3 7.318 0.086 1.915 20 2HB PHE 3 HB1 PHE 3 6.790 0.913 0.450 21 HD1 PHE 3 HD1 PHE 3 9.022 2.270 -0.627 22 HD2 PHE 3 HD2 PHE 3 8.985 -1.485 1.463 23 HE1 PHE 3 HE1 PHE 3 11.133 1.621 -1.754 24 HE2 PHE 3 HE2 PHE 3 11.096 -2.131 0.335 25 HZ PHE 3 HZ PHE 3 12.170 -0.579 -1.272 26 H LYS 4 HN LYS 4 5.638 3.202 0.891 27 HA LYS 4 HA LYS 4 4.118 3.087 3.461 28 1HB LYS 4 HB2 LYS 4 5.337 5.300 3.089 29 2HB LYS 4 HB1 LYS 4 4.294 5.541 1.697 30 1HG LYS 4 HG2 LYS 4 2.305 5.404 3.107 31 2HG LYS 4 HG1 LYS 4 3.305 5.078 4.521 32 1HD LYS 4 HD2 LYS 4 4.106 7.251 4.631 33 2HD LYS 4 HD1 LYS 4 3.875 7.531 2.905 34 1HE LYS 4 HE2 LYS 4 1.975 8.643 3.491 35 2HE LYS 4 HE1 LYS 4 1.282 7.051 3.857 36 1HZ LYS 4 HZ1 LYS 4 2.993 8.542 5.769 37 2HZ LYS 4 HZ2 LYS 4 2.029 7.177 6.078 38 3HZ LYS 4 HZ3 LYS 4 1.303 8.679 5.759 39 H LEU 5 HN LEU 5 1.820 3.139 3.147 40 HA LEU 5 HA LEU 5 0.760 3.213 0.380 41 1HB LEU 5 HB2 LEU 5 1.568 0.828 1.297 42 2HB LEU 5 HB1 LEU 5 0.000 0.874 2.092 43 HG LEU 5 HG LEU 5 -0.230 1.737 -0.680 44 1HD1 LEU 5 HD11 LEU 5 0.479 -0.150 -1.867 45 2HD1 LEU 5 HD12 LEU 5 0.516 -1.166 -0.416 46 3HD1 LEU 5 HD13 LEU 5 1.774 0.047 -0.679 47 1HD2 LEU 5 HD21 LEU 5 -1.453 -0.329 1.135 48 2HD2 LEU 5 HD22 LEU 5 -1.818 -0.343 -0.591 49 3HD2 LEU 5 HD23 LEU 5 -2.209 1.076 0.382 50 H ILE 6 HN ILE 6 -1.321 4.042 0.393 51 HA ILE 6 HA ILE 6 -2.535 4.600 3.070 52 HB ILE 6 HB ILE 6 -2.737 5.899 0.339 53 1HG1 ILE 6 HG12 ILE 6 -0.625 6.250 1.602 54 2HG1 ILE 6 HG11 ILE 6 -1.543 7.746 1.429 55 1HG2 ILE 6 HG21 ILE 6 -4.000 6.842 2.930 56 2HG2 ILE 6 HG22 ILE 6 -4.887 6.016 1.649 57 3HG2 ILE 6 HG23 ILE 6 -4.155 7.590 1.340 58 1HD1 ILE 6 HD11 ILE 6 -0.668 6.469 3.838 59 2HD1 ILE 6 HD12 ILE 6 -2.431 6.450 3.817 60 3HD1 ILE 6 HD13 ILE 6 -1.564 7.978 3.668 61 H ILE 7 HN ILE 7 -4.309 3.405 3.568 62 HA ILE 7 HA ILE 7 -5.615 1.680 1.615 63 HB ILE 7 HB ILE 7 -6.292 2.417 4.483 64 1HG1 ILE 7 HG12 ILE 7 -4.776 0.026 3.389 65 2HG1 ILE 7 HG11 ILE 7 -4.007 1.436 4.119 66 1HG2 ILE 7 HG21 ILE 7 -7.175 0.114 2.714 67 2HG2 ILE 7 HG22 ILE 7 -8.201 1.394 3.360 68 3HG2 ILE 7 HG23 ILE 7 -7.479 0.210 4.449 69 1HD1 ILE 7 HD11 ILE 7 -5.657 -0.704 5.407 70 2HD1 ILE 7 HD12 ILE 7 -5.712 0.921 6.090 71 3HD1 ILE 7 HD13 ILE 7 -4.175 0.062 5.978 72 H ASN 8 HN ASN 8 -7.008 2.580 0.143 73 HA ASN 8 HA ASN 8 -8.765 4.842 1.013 74 1HB ASN 8 HB2 ASN 8 -7.612 3.867 -1.597 75 2HB ASN 8 HB1 ASN 8 -9.023 4.924 -1.595 76 1HD2 ASN 8 HD21 ASN 8 -7.677 6.654 -2.573 77 2HD2 ASN 8 HD22 ASN 8 -6.582 7.533 -1.604 78 H GLY 9 HN GLY 9 -9.606 2.432 1.983 79 1HA GLY 9 HA2 GLY 9 -11.453 1.148 0.090 80 2HA GLY 9 HA1 GLY 9 -11.235 0.709 1.789 81 H LYS 10 HN LYS 10 -13.758 1.185 0.337 82 HA LYS 10 HA LYS 10 -14.965 3.675 0.835 83 1HB LYS 10 HB2 LYS 10 -16.094 0.862 0.933 84 2HB LYS 10 HB1 LYS 10 -17.071 2.324 0.793 85 1HG LYS 10 HG2 LYS 10 -15.614 2.879 -1.264 86 2HG LYS 10 HG1 LYS 10 -15.103 1.192 -1.197 87 1HD LYS 10 HD2 LYS 10 -17.158 0.398 -1.838 88 2HD LYS 10 HD1 LYS 10 -18.029 1.700 -1.027 89 1HE LYS 10 HE2 LYS 10 -18.332 2.203 -3.321 90 2HE LYS 10 HE1 LYS 10 -16.950 3.225 -2.876 91 1HZ LYS 10 HZ1 LYS 10 -15.500 1.314 -3.497 92 2HZ LYS 10 HZ2 LYS 10 -16.331 2.005 -4.808 93 3HZ LYS 10 HZ3 LYS 10 -16.865 0.538 -4.137 94 H THR 11 HN THR 11 -14.347 0.993 3.047 95 HA THR 11 HA THR 11 -15.521 2.624 5.280 96 HB THR 11 HB THR 11 -15.329 -0.391 4.969 97 HG1 THR 11 HG1 THR 11 -17.044 -0.128 3.815 98 1HG2 THR 11 HG21 THR 11 -16.261 1.451 7.121 99 2HG2 THR 11 HG22 THR 11 -15.492 -0.130 7.251 100 3HG2 THR 11 HG23 THR 11 -17.203 -0.013 6.840 101 H LEU 12 HN LEU 12 -12.978 0.315 4.331 102 HA LEU 12 HA LEU 12 -11.510 0.767 6.866 103 1HB LEU 12 HB2 LEU 12 -11.105 -0.977 4.420 104 2HB LEU 12 HB1 LEU 12 -10.001 -0.965 5.796 105 HG LEU 12 HG LEU 12 -12.898 -1.304 6.399 106 1HD1 LEU 12 HD11 LEU 12 -11.172 -3.396 5.054 107 2HD1 LEU 12 HD12 LEU 12 -12.762 -2.823 4.550 108 3HD1 LEU 12 HD13 LEU 12 -12.599 -3.804 6.006 109 1HD2 LEU 12 HD21 LEU 12 -11.532 -1.371 8.301 110 2HD2 LEU 12 HD22 LEU 12 -10.235 -2.219 7.459 111 3HD2 LEU 12 HD23 LEU 12 -11.702 -3.083 7.916 112 H LYS 13 HN LYS 13 -9.773 2.141 7.013 113 HA LYS 13 HA LYS 13 -8.287 2.967 4.586 114 1HB LYS 13 HB2 LYS 13 -9.983 4.772 6.330 115 2HB LYS 13 HB1 LYS 13 -8.725 5.396 5.261 116 1HG LYS 13 HG2 LYS 13 -9.889 4.055 3.396 117 2HG LYS 13 HG1 LYS 13 -11.249 3.918 4.511 118 1HD LYS 13 HD2 LYS 13 -10.043 6.621 4.033 119 2HD LYS 13 HD1 LYS 13 -11.121 5.942 2.813 120 1HE LYS 13 HE2 LYS 13 -12.758 6.893 4.117 121 2HE LYS 13 HE1 LYS 13 -12.541 5.434 5.105 122 1HZ LYS 13 HZ1 LYS 13 -12.241 7.307 6.526 123 2HZ LYS 13 HZ2 LYS 13 -11.169 8.047 5.435 124 3HZ LYS 13 HZ3 LYS 13 -10.708 6.633 6.256 125 H GLY 14 HN GLY 14 -6.692 4.893 5.526 126 1HA GLY 14 HA2 GLY 14 -5.599 5.450 7.790 127 2HA GLY 14 HA1 GLY 14 -5.447 3.702 7.966 128 H GLU 15 HN GLU 15 -3.084 4.542 8.144 129 HA GLU 15 HA GLU 15 -1.863 4.601 5.398 130 1HB GLU 15 HB2 GLU 15 -0.874 5.834 7.997 131 2HB GLU 15 HB1 GLU 15 -0.112 6.004 6.417 132 1HG GLU 15 HG2 GLU 15 -2.545 6.879 5.746 133 2HG GLU 15 HG1 GLU 15 -2.609 7.269 7.464 134 H THR 16 HN THR 16 0.228 3.458 5.241 135 HA THR 16 HA THR 16 1.075 1.785 7.523 136 HB THR 16 HB THR 16 -0.833 0.557 6.590 137 HG1 THR 16 HG1 THR 16 0.223 -1.270 6.658 138 1HG2 THR 16 HG21 THR 16 0.676 0.945 4.003 139 2HG2 THR 16 HG22 THR 16 -1.016 1.300 4.358 140 3HG2 THR 16 HG23 THR 16 -0.481 -0.372 4.203 141 H THR 17 HN THR 17 3.174 0.947 7.245 142 HA THR 17 HA THR 17 4.553 1.483 4.643 143 HB THR 17 HB THR 17 6.460 2.363 6.066 144 HG1 THR 17 HG1 THR 17 6.230 2.219 8.129 145 1HG2 THR 17 HG21 THR 17 5.270 4.555 6.587 146 2HG2 THR 17 HG22 THR 17 3.787 3.772 6.045 147 3HG2 THR 17 HG23 THR 17 5.132 3.985 4.925 148 H THR 18 HN THR 18 6.527 0.166 4.401 149 HA THR 18 HA THR 18 6.866 -2.015 6.385 150 HB THR 18 HB THR 18 5.602 -2.139 3.741 151 HG1 THR 18 HG1 THR 18 4.662 -3.146 5.415 152 1HG2 THR 18 HG21 THR 18 7.883 -4.084 4.220 153 2HG2 THR 18 HG22 THR 18 7.861 -2.813 2.996 154 3HG2 THR 18 HG23 THR 18 6.711 -4.148 2.901 155 H GLU 19 HN GLU 19 8.941 -3.247 5.876 156 HA GLU 19 HA GLU 19 10.983 -1.448 4.608 157 1HB GLU 19 HB2 GLU 19 10.964 -1.624 7.132 158 2HB GLU 19 HB1 GLU 19 11.316 -3.343 6.954 159 1HG GLU 19 HG2 GLU 19 13.240 -2.330 5.350 160 2HG GLU 19 HG1 GLU 19 13.075 -0.992 6.488 161 H ALA 20 HN ALA 20 11.706 -2.442 2.759 162 HA ALA 20 HA ALA 20 12.484 -5.301 2.855 163 1HB ALA 20 HB1 ALA 20 11.087 -5.526 0.652 164 2HB ALA 20 HB2 ALA 20 10.237 -4.099 1.249 165 3HB ALA 20 HB3 ALA 20 10.242 -5.585 2.200 166 H VAL 21 HN VAL 21 13.369 -5.894 0.543 167 HA VAL 21 HA VAL 21 15.575 -4.222 -0.089 168 HB VAL 21 HB VAL 21 15.758 -5.708 -2.070 169 1HG1 VAL 21 HG11 VAL 21 14.745 -7.409 0.196 170 2HG1 VAL 21 HG12 VAL 21 16.196 -6.426 0.402 171 3HG1 VAL 21 HG13 VAL 21 16.143 -7.669 -0.847 172 1HG2 VAL 21 HG21 VAL 21 13.884 -7.526 -2.160 173 2HG2 VAL 21 HG22 VAL 21 13.570 -5.960 -2.905 174 3HG2 VAL 21 HG23 VAL 21 12.900 -6.330 -1.318 175 H ASP 22 HN ASP 22 12.361 -4.443 -1.608 176 HA ASP 22 HA ASP 22 12.741 -1.743 -2.782 177 1HB ASP 22 HB2 ASP 22 12.085 -4.253 -4.366 178 2HB ASP 22 HB1 ASP 22 12.108 -2.617 -5.022 179 H ALA 23 HN ALA 23 10.636 -0.876 -3.568 180 HA ALA 23 HA ALA 23 8.452 -1.416 -1.797 181 1HB ALA 23 HB1 ALA 23 8.238 0.676 -2.703 182 2HB ALA 23 HB2 ALA 23 7.335 -0.161 -3.965 183 3HB ALA 23 HB3 ALA 23 9.043 0.209 -4.200 184 H ALA 24 HN ALA 24 9.342 -2.764 -4.922 185 HA ALA 24 HA ALA 24 6.846 -3.920 -5.695 186 1HB ALA 24 HB1 ALA 24 9.765 -4.465 -6.159 187 2HB ALA 24 HB2 ALA 24 8.531 -3.963 -7.316 188 3HB ALA 24 HB3 ALA 24 8.579 -5.631 -6.745 189 H THR 25 HN THR 25 9.516 -5.225 -3.716 190 HA THR 25 HA THR 25 8.267 -7.765 -3.152 191 HB THR 25 HB THR 25 10.447 -6.105 -1.842 192 HG1 THR 25 HG1 THR 25 11.365 -6.886 -3.558 193 1HG2 THR 25 HG21 THR 25 9.711 -8.989 -1.248 194 2HG2 THR 25 HG22 THR 25 9.416 -7.627 -0.162 195 3HG2 THR 25 HG23 THR 25 11.071 -8.099 -0.562 196 H ALA 26 HN ALA 26 8.542 -4.734 -1.244 197 HA ALA 26 HA ALA 26 7.054 -5.596 1.018 198 1HB ALA 26 HB1 ALA 26 6.636 -3.052 1.217 199 2HB ALA 26 HB2 ALA 26 7.530 -2.912 -0.302 200 3HB ALA 26 HB3 ALA 26 8.321 -3.574 1.128 201 H GLU 27 HN GLU 27 5.908 -3.590 -1.719 202 HA GLU 27 HA GLU 27 3.228 -3.319 -1.200 203 1HB GLU 27 HB2 GLU 27 4.503 -2.488 -3.172 204 2HB GLU 27 HB1 GLU 27 4.460 -4.111 -3.859 205 1HG GLU 27 HG2 GLU 27 1.866 -3.894 -3.502 206 2HG GLU 27 HG1 GLU 27 2.207 -2.164 -3.471 207 H LYS 28 HN LYS 28 4.755 -6.326 -2.355 208 HA LYS 28 HA LYS 28 2.326 -7.779 -2.916 209 1HB LYS 28 HB2 LYS 28 5.057 -8.709 -1.935 210 2HB LYS 28 HB1 LYS 28 3.840 -9.744 -2.682 211 1HG LYS 28 HG2 LYS 28 4.138 -8.806 -4.790 212 2HG LYS 28 HG1 LYS 28 4.748 -7.284 -4.140 213 1HD LYS 28 HD2 LYS 28 6.758 -8.175 -4.812 214 2HD LYS 28 HD1 LYS 28 6.668 -8.932 -3.222 215 1HE LYS 28 HE2 LYS 28 5.265 -10.393 -5.394 216 2HE LYS 28 HE1 LYS 28 7.037 -10.360 -5.504 217 1HZ LYS 28 HZ1 LYS 28 6.291 -12.179 -4.085 218 2HZ LYS 28 HZ2 LYS 28 5.465 -11.082 -3.085 219 3HZ LYS 28 HZ3 LYS 28 7.161 -11.034 -3.186 220 H VAL 29 HN VAL 29 4.373 -7.477 -0.020 221 HA VAL 29 HA VAL 29 2.731 -9.120 1.715 222 HB VAL 29 HB VAL 29 4.874 -6.996 2.035 223 1HG1 VAL 29 HG11 VAL 29 3.538 -8.510 4.305 224 2HG1 VAL 29 HG12 VAL 29 3.362 -6.780 3.994 225 3HG1 VAL 29 HG13 VAL 29 4.934 -7.441 4.453 226 1HG2 VAL 29 HG21 VAL 29 6.051 -9.030 3.045 227 2HG2 VAL 29 HG22 VAL 29 5.718 -9.105 1.314 228 3HG2 VAL 29 HG23 VAL 29 4.693 -9.985 2.449 229 H LEU 30 HN LEU 30 2.815 -5.657 0.881 230 HA LEU 30 HA LEU 30 0.923 -4.799 2.858 231 1HB LEU 30 HB2 LEU 30 1.894 -3.782 0.181 232 2HB LEU 30 HB1 LEU 30 0.668 -2.902 1.077 233 HG LEU 30 HG LEU 30 3.207 -2.272 1.355 234 1HD1 LEU 30 HD11 LEU 30 1.524 -1.158 2.634 235 2HD1 LEU 30 HD12 LEU 30 2.786 -1.672 3.760 236 3HD1 LEU 30 HD13 LEU 30 1.272 -2.579 3.650 237 1HD2 LEU 30 HD21 LEU 30 4.142 -3.384 3.426 238 2HD2 LEU 30 HD22 LEU 30 4.202 -4.332 1.956 239 3HD2 LEU 30 HD23 LEU 30 2.981 -4.672 3.178 240 H LYS 31 HN LYS 31 0.631 -6.177 -0.374 241 HA LYS 31 HA LYS 31 -2.183 -5.732 -0.821 242 1HB LYS 31 HB2 LYS 31 -0.170 -6.735 -2.281 243 2HB LYS 31 HB1 LYS 31 -0.749 -8.249 -1.627 244 1HG LYS 31 HG2 LYS 31 -2.632 -6.279 -2.927 245 2HG LYS 31 HG1 LYS 31 -1.763 -7.486 -3.873 246 1HD LYS 31 HD2 LYS 31 -3.638 -8.056 -1.554 247 2HD LYS 31 HD1 LYS 31 -3.988 -8.332 -3.259 248 1HE LYS 31 HE2 LYS 31 -1.522 -9.633 -2.777 249 2HE LYS 31 HE1 LYS 31 -2.572 -10.056 -1.406 250 1HZ LYS 31 HZ1 LYS 31 -2.895 -11.502 -3.392 251 2HZ LYS 31 HZ2 LYS 31 -3.439 -10.141 -4.251 252 3HZ LYS 31 HZ3 LYS 31 -4.306 -10.699 -2.900 253 H GLN 32 HN GLN 32 -0.326 -8.361 0.671 254 HA GLN 32 HA GLN 32 -2.422 -10.138 1.363 255 1HB GLN 32 HB2 GLN 32 0.316 -9.466 2.322 256 2HB GLN 32 HB1 GLN 32 -0.687 -10.472 3.369 257 1HG GLN 32 HG2 GLN 32 -1.053 -12.064 1.549 258 2HG GLN 32 HG1 GLN 32 -0.129 -11.043 0.447 259 1HE2 GLN 32 HE21 GLN 32 1.970 -11.789 0.183 260 2HE2 GLN 32 HE22 GLN 32 2.894 -12.570 1.386 261 H TYR 33 HN TYR 33 -1.141 -7.293 3.063 262 HA TYR 33 HA TYR 33 -2.759 -7.480 5.446 263 1HB TYR 33 HB2 TYR 33 -0.753 -6.079 5.233 264 2HB TYR 33 HB1 TYR 33 -1.519 -5.135 3.956 265 HD1 TYR 33 HD1 TYR 33 -1.692 -6.040 7.537 266 HD2 TYR 33 HD2 TYR 33 -3.061 -3.382 4.457 267 HE1 TYR 33 HE1 TYR 33 -2.724 -4.597 9.251 268 HE2 TYR 33 HE2 TYR 33 -4.090 -1.927 6.178 269 HH TYR 33 HH TYR 33 -4.814 -2.812 9.146 270 H ILE 34 HN ILE 34 -3.213 -5.937 2.287 271 HA ILE 34 HA ILE 34 -5.740 -4.657 2.844 272 HB ILE 34 HB ILE 34 -4.447 -5.662 0.289 273 1HG1 ILE 34 HG12 ILE 34 -3.208 -3.989 1.834 274 2HG1 ILE 34 HG11 ILE 34 -3.350 -3.578 0.130 275 1HG2 ILE 34 HG21 ILE 34 -6.854 -5.225 -0.014 276 2HG2 ILE 34 HG22 ILE 34 -5.877 -4.037 -0.877 277 3HG2 ILE 34 HG23 ILE 34 -6.644 -3.605 0.652 278 1HD1 ILE 34 HD11 ILE 34 -3.909 -1.792 1.992 279 2HD1 ILE 34 HD12 ILE 34 -5.459 -2.634 2.046 280 3HD1 ILE 34 HD13 ILE 34 -4.907 -1.899 0.541 281 H ASN 35 HN ASN 35 -4.811 -7.933 2.019 282 HA ASN 35 HA ASN 35 -7.187 -8.969 0.888 283 1HB ASN 35 HB2 ASN 35 -4.895 -10.031 1.195 284 2HB ASN 35 HB1 ASN 35 -5.361 -10.363 2.863 285 1HD2 ASN 35 HD21 ASN 35 -5.621 -12.646 2.744 286 2HD2 ASN 35 HD22 ASN 35 -6.742 -13.406 1.721 287 H ASP 36 HN ASP 36 -6.253 -8.843 4.353 288 HA ASP 36 HA ASP 36 -8.714 -9.972 5.332 289 1HB ASP 36 HB2 ASP 36 -7.863 -9.100 7.506 290 2HB ASP 36 HB1 ASP 36 -6.613 -9.946 6.596 291 H ASN 37 HN ASN 37 -7.834 -6.734 4.330 292 HA ASN 37 HA ASN 37 -10.102 -5.452 5.708 293 1HB ASN 37 HB2 ASN 37 -8.050 -4.528 3.667 294 2HB ASN 37 HB1 ASN 37 -9.222 -3.461 4.449 295 1HD2 ASN 37 HD21 ASN 37 -6.194 -3.529 4.704 296 2HD2 ASN 37 HD22 ASN 37 -5.905 -3.692 6.378 297 H GLY 38 HN GLY 38 -9.315 -6.707 2.510 298 1HA GLY 38 HA2 GLY 38 -10.815 -7.289 0.775 299 2HA GLY 38 HA1 GLY 38 -12.136 -6.631 1.740 300 H ILE 39 HN ILE 39 -9.210 -4.817 0.991 301 HA ILE 39 HA ILE 39 -10.885 -2.966 -0.676 302 HB ILE 39 HB ILE 39 -8.409 -2.442 1.007 303 1HG1 ILE 39 HG12 ILE 39 -10.357 -2.988 2.410 304 2HG1 ILE 39 HG11 ILE 39 -9.984 -1.266 2.530 305 1HG2 ILE 39 HG21 ILE 39 -8.790 -0.934 -0.987 306 2HG2 ILE 39 HG22 ILE 39 -8.803 -0.105 0.569 307 3HG2 ILE 39 HG23 ILE 39 -10.321 -0.460 -0.254 308 1HD1 ILE 39 HD11 ILE 39 -12.359 -2.606 1.376 309 2HD1 ILE 39 HD12 ILE 39 -11.727 -1.260 0.428 310 3HD1 ILE 39 HD13 ILE 39 -12.210 -1.007 2.105 311 H ASP 40 HN ASP 40 -10.211 -4.601 -2.440 312 HA ASP 40 HA ASP 40 -7.453 -3.992 -3.459 313 1HB ASP 40 HB2 ASP 40 -9.137 -6.399 -3.221 314 2HB ASP 40 HB1 ASP 40 -8.400 -6.212 -4.816 315 H GLY 41 HN GLY 41 -7.840 -2.231 -4.826 316 1HA GLY 41 HA2 GLY 41 -9.730 -2.728 -7.082 317 2HA GLY 41 HA1 GLY 41 -9.764 -1.179 -6.233 318 H GLU 42 HN GLU 42 -7.941 0.246 -6.454 319 HA GLU 42 HA GLU 42 -6.013 -0.481 -8.633 320 1HB GLU 42 HB2 GLU 42 -8.106 1.581 -8.482 321 2HB GLU 42 HB1 GLU 42 -6.529 2.231 -8.927 322 1HG GLU 42 HG2 GLU 42 -6.488 1.138 -10.933 323 2HG GLU 42 HG1 GLU 42 -7.313 -0.284 -10.292 324 H TRP 43 HN TRP 43 -3.967 -0.253 -7.845 325 HA TRP 43 HA TRP 43 -3.475 1.541 -5.515 326 1HB TRP 43 HB2 TRP 43 -1.888 -0.636 -6.913 327 2HB TRP 43 HB1 TRP 43 -1.241 0.327 -5.598 328 HD1 TRP 43 HD1 TRP 43 -4.888 -0.899 -5.536 329 HE1 TRP 43 HE1 TRP 43 -5.122 -2.619 -3.648 330 HE3 TRP 43 HE3 TRP 43 -0.016 -1.316 -4.143 331 HZ2 TRP 43 HZ2 TRP 43 -3.471 -3.961 -1.752 332 HZ3 TRP 43 HZ3 TRP 43 0.631 -2.809 -2.265 333 HH2 TRP 43 HH2 TRP 43 -1.085 -4.126 -1.073 334 H THR 44 HN THR 44 -1.495 2.917 -5.628 335 HA THR 44 HA THR 44 -0.479 3.561 -8.337 336 HB THR 44 HB THR 44 -1.067 5.942 -8.052 337 HG1 THR 44 HG1 THR 44 -1.125 6.041 -5.819 338 1HG2 THR 44 HG21 THR 44 -3.565 4.312 -7.590 339 2HG2 THR 44 HG22 THR 44 -2.656 4.213 -9.098 340 3HG2 THR 44 HG23 THR 44 -3.367 5.747 -8.596 341 H TYR 45 HN TYR 45 1.671 3.996 -8.178 342 HA TYR 45 HA TYR 45 2.898 4.187 -5.495 343 1HB TYR 45 HB2 TYR 45 3.761 2.644 -7.207 344 2HB TYR 45 HB1 TYR 45 4.011 3.989 -8.319 345 HD1 TYR 45 HD1 TYR 45 4.827 3.216 -4.728 346 HD2 TYR 45 HD2 TYR 45 6.209 4.704 -8.512 347 HE1 TYR 45 HE1 TYR 45 7.072 3.611 -3.752 348 HE2 TYR 45 HE2 TYR 45 8.453 5.102 -7.537 349 HH TYR 45 HH TYR 45 9.551 3.749 -4.843 350 H ASP 46 HN ASP 46 4.611 5.900 -5.150 351 HA ASP 46 HA ASP 46 4.178 8.393 -6.750 352 1HB ASP 46 HB2 ASP 46 4.233 8.211 -3.715 353 2HB ASP 46 HB1 ASP 46 3.965 9.666 -4.670 354 H ASP 47 HN ASP 47 6.112 9.353 -7.250 355 HA ASP 47 HA ASP 47 8.622 8.171 -6.343 356 1HB ASP 47 HB2 ASP 47 8.183 9.044 -8.626 357 2HB ASP 47 HB1 ASP 47 8.017 10.669 -7.959 358 H ALA 48 HN ALA 48 6.562 10.398 -4.867 359 HA ALA 48 HA ALA 48 8.267 12.455 -3.903 360 1HB ALA 48 HB1 ALA 48 5.742 11.081 -3.060 361 2HB ALA 48 HB2 ALA 48 6.008 12.778 -3.468 362 3HB ALA 48 HB3 ALA 48 6.518 12.159 -1.897 363 H THR 49 HN THR 49 7.133 9.762 -1.864 364 HA THR 49 HA THR 49 9.911 9.428 -0.792 365 HB THR 49 HB THR 49 8.550 10.900 0.668 366 HG1 THR 49 HG1 THR 49 9.311 9.903 2.348 367 1HG2 THR 49 HG21 THR 49 6.325 10.147 0.043 368 2HG2 THR 49 HG22 THR 49 6.532 9.908 1.779 369 3HG2 THR 49 HG23 THR 49 6.658 8.535 0.677 370 H LYS 50 HN LYS 50 8.505 7.816 -2.737 371 HA LYS 50 HA LYS 50 7.990 5.575 -3.187 372 1HB LYS 50 HB2 LYS 50 9.346 5.200 -0.495 373 2HB LYS 50 HB1 LYS 50 9.103 3.946 -1.708 374 1HG LYS 50 HG2 LYS 50 10.465 5.260 -3.316 375 2HG LYS 50 HG1 LYS 50 10.753 6.466 -2.061 376 1HD LYS 50 HD2 LYS 50 11.353 3.637 -1.356 377 2HD LYS 50 HD1 LYS 50 12.443 4.416 -2.503 378 1HE LYS 50 HE2 LYS 50 11.663 5.817 0.057 379 2HE LYS 50 HE1 LYS 50 13.008 4.660 0.021 380 1HZ LYS 50 HZ1 LYS 50 12.685 6.972 -1.819 381 2HZ LYS 50 HZ2 LYS 50 13.977 5.868 -1.820 382 3HZ LYS 50 HZ3 LYS 50 13.754 6.919 -0.504 383 H THR 51 HN THR 51 5.758 6.768 -2.480 384 HA THR 51 HA THR 51 4.529 5.258 -0.208 385 HB THR 51 HB THR 51 3.427 7.591 -1.806 386 HG1 THR 51 HG1 THR 51 4.865 7.685 0.630 387 1HG2 THR 51 HG21 THR 51 2.502 7.830 0.742 388 2HG2 THR 51 HG22 THR 51 2.628 6.076 0.608 389 3HG2 THR 51 HG23 THR 51 1.636 6.979 -0.537 390 H TRP 52 HN TRP 52 2.098 4.704 -0.736 391 HA TRP 52 HA TRP 52 1.767 3.838 -3.579 392 1HB TRP 52 HB2 TRP 52 1.792 2.215 -1.043 393 2HB TRP 52 HB1 TRP 52 0.898 1.666 -2.453 394 HD1 TRP 52 HD1 TRP 52 4.402 2.049 -1.111 395 HE1 TRP 52 HE1 TRP 52 6.063 1.010 -2.795 396 HE3 TRP 52 HE3 TRP 52 1.252 1.218 -4.988 397 HZ2 TRP 52 HZ2 TRP 52 6.032 -0.048 -5.469 398 HZ3 TRP 52 HZ3 TRP 52 2.064 0.191 -7.104 399 HH2 TRP 52 HH2 TRP 52 4.452 -0.443 -7.344 400 H THR 53 HN THR 53 -0.584 2.544 -3.448 401 HA THR 53 HA THR 53 -2.528 3.940 -1.736 402 HB THR 53 HB THR 53 -2.721 4.215 -4.743 403 HG1 THR 53 HG1 THR 53 -1.636 6.030 -2.854 404 1HG2 THR 53 HG21 THR 53 -4.819 4.661 -3.829 405 2HG2 THR 53 HG22 THR 53 -4.091 6.267 -3.856 406 3HG2 THR 53 HG23 THR 53 -4.140 5.346 -2.353 407 H VAL 54 HN VAL 54 -4.826 3.160 -2.387 408 HA VAL 54 HA VAL 54 -5.126 0.742 -3.960 409 HB VAL 54 HB VAL 54 -3.850 -0.277 -2.183 410 1HG1 VAL 54 HG11 VAL 54 -4.062 1.553 -0.560 411 2HG1 VAL 54 HG12 VAL 54 -4.428 -0.001 0.186 412 3HG1 VAL 54 HG13 VAL 54 -5.735 1.094 -0.258 413 1HG2 VAL 54 HG21 VAL 54 -5.273 -1.988 -1.560 414 2HG2 VAL 54 HG22 VAL 54 -6.268 -1.235 -2.814 415 3HG2 VAL 54 HG23 VAL 54 -6.576 -0.881 -1.114 416 H THR 55 HN THR 55 -6.836 2.343 -4.588 417 HA THR 55 HA THR 55 -8.996 2.941 -2.701 418 HB THR 55 HB THR 55 -9.054 3.169 -5.715 419 HG1 THR 55 HG1 THR 55 -7.271 4.258 -5.465 420 1HG2 THR 55 HG21 THR 55 -10.286 4.629 -3.381 421 2HG2 THR 55 HG22 THR 55 -11.097 3.860 -4.746 422 3HG2 THR 55 HG23 THR 55 -10.203 5.362 -4.983 423 H GLU 56 HN GLU 56 -10.923 1.810 -2.493 424 HA GLU 56 HA GLU 56 -11.153 -0.909 -3.315 425 1HB GLU 56 HB2 GLU 56 -12.428 0.801 -1.605 426 2HB GLU 56 HB1 GLU 56 -13.646 0.632 -2.869 427 1HG GLU 56 HG2 GLU 56 -12.324 -1.877 -1.980 428 2HG GLU 56 HG1 GLU 56 -13.412 -1.116 -0.819 Start of MODEL 9 1 1H THR 1 HT1 THR 1 14.792 3.541 5.557 2 2H THR 1 HT2 THR 1 16.063 3.369 4.443 3 3H THR 1 HT3 THR 1 15.224 2.000 4.998 4 HA THR 1 HA THR 1 14.040 4.177 3.347 5 HB THR 1 HB THR 1 14.701 1.317 2.611 6 HG1 THR 1 HG1 THR 1 16.690 1.906 2.450 7 1HG2 THR 1 HG21 THR 1 14.529 3.666 0.752 8 2HG2 THR 1 HG22 THR 1 13.047 2.907 1.332 9 3HG2 THR 1 HG23 THR 1 14.225 1.960 0.422 10 H THR 2 HN THR 2 11.918 4.284 3.983 11 HA THR 2 HA THR 2 10.496 1.711 4.597 12 HB THR 2 HB THR 2 9.853 4.461 5.688 13 HG1 THR 2 HG1 THR 2 11.427 2.435 6.891 14 1HG2 THR 2 HG21 THR 2 8.532 3.301 7.270 15 2HG2 THR 2 HG22 THR 2 9.313 1.759 6.916 16 3HG2 THR 2 HG23 THR 2 8.206 2.477 5.745 17 H PHE 3 HN PHE 3 8.874 1.291 3.161 18 HA PHE 3 HA PHE 3 8.051 3.300 1.186 19 1HB PHE 3 HB2 PHE 3 7.199 0.443 1.772 20 2HB PHE 3 HB1 PHE 3 6.725 1.356 0.339 21 HD1 PHE 3 HD1 PHE 3 8.975 2.708 -0.649 22 HD2 PHE 3 HD2 PHE 3 8.885 -1.111 1.326 23 HE1 PHE 3 HE1 PHE 3 11.107 2.085 -1.751 24 HE2 PHE 3 HE2 PHE 3 11.016 -1.729 0.222 25 HZ PHE 3 HZ PHE 3 12.128 -0.132 -1.315 26 H LYS 4 HN LYS 4 5.615 3.597 0.800 27 HA LYS 4 HA LYS 4 4.047 3.564 3.353 28 1HB LYS 4 HB2 LYS 4 5.321 5.757 2.670 29 2HB LYS 4 HB1 LYS 4 4.035 5.918 1.477 30 1HG LYS 4 HG2 LYS 4 2.392 5.590 3.406 31 2HG LYS 4 HG1 LYS 4 3.768 5.810 4.483 32 1HD LYS 4 HD2 LYS 4 3.301 8.022 4.338 33 2HD LYS 4 HD1 LYS 4 4.067 7.928 2.752 34 1HE LYS 4 HE2 LYS 4 1.658 7.165 1.965 35 2HE LYS 4 HE1 LYS 4 1.144 8.010 3.437 36 1HZ LYS 4 HZ1 LYS 4 1.279 9.557 1.588 37 2HZ LYS 4 HZ2 LYS 4 2.898 9.124 1.310 38 3HZ LYS 4 HZ3 LYS 4 2.464 9.925 2.744 39 H LEU 5 HN LEU 5 1.773 3.444 3.036 40 HA LEU 5 HA LEU 5 0.700 3.423 0.270 41 1HB LEU 5 HB2 LEU 5 1.613 1.095 1.207 42 2HB LEU 5 HB1 LEU 5 0.068 1.090 2.043 43 HG LEU 5 HG LEU 5 -0.246 1.880 -0.749 44 1HD1 LEU 5 HD11 LEU 5 0.475 -0.034 -1.883 45 2HD1 LEU 5 HD12 LEU 5 0.539 -1.004 -0.402 46 3HD1 LEU 5 HD13 LEU 5 1.783 0.211 -0.718 47 1HD2 LEU 5 HD21 LEU 5 -1.802 -0.218 -0.553 48 2HD2 LEU 5 HD22 LEU 5 -2.196 1.234 0.370 49 3HD2 LEU 5 HD23 LEU 5 -1.407 -0.130 1.164 50 H ILE 6 HN ILE 6 -1.334 4.303 0.290 51 HA ILE 6 HA ILE 6 -2.629 4.780 2.940 52 HB ILE 6 HB ILE 6 -2.838 6.049 0.196 53 1HG1 ILE 6 HG12 ILE 6 -0.772 6.526 1.471 54 2HG1 ILE 6 HG11 ILE 6 -1.771 7.970 1.305 55 1HG2 ILE 6 HG21 ILE 6 -5.014 6.307 1.126 56 2HG2 ILE 6 HG22 ILE 6 -4.180 7.821 1.480 57 3HG2 ILE 6 HG23 ILE 6 -4.371 6.603 2.742 58 1HD1 ILE 6 HD11 ILE 6 -2.743 7.405 3.593 59 2HD1 ILE 6 HD12 ILE 6 -1.051 7.902 3.592 60 3HD1 ILE 6 HD13 ILE 6 -1.468 6.196 3.737 61 H ILE 7 HN ILE 7 -4.446 3.627 3.416 62 HA ILE 7 HA ILE 7 -5.617 1.780 1.479 63 HB ILE 7 HB ILE 7 -6.465 2.590 4.281 64 1HG1 ILE 7 HG12 ILE 7 -4.791 0.211 3.420 65 2HG1 ILE 7 HG11 ILE 7 -4.095 1.711 4.035 66 1HG2 ILE 7 HG21 ILE 7 -6.959 -0.119 3.140 67 2HG2 ILE 7 HG22 ILE 7 -7.961 1.197 2.530 68 3HG2 ILE 7 HG23 ILE 7 -7.945 0.828 4.254 69 1HD1 ILE 7 HD11 ILE 7 -5.806 -0.302 5.478 70 2HD1 ILE 7 HD12 ILE 7 -5.730 1.369 6.038 71 3HD1 ILE 7 HD13 ILE 7 -4.262 0.393 5.971 72 H ASN 8 HN ASN 8 -6.912 2.672 -0.101 73 HA ASN 8 HA ASN 8 -8.729 4.929 0.610 74 1HB ASN 8 HB2 ASN 8 -7.565 3.749 -1.906 75 2HB ASN 8 HB1 ASN 8 -8.985 4.789 -2.001 76 1HD2 ASN 8 HD21 ASN 8 -7.231 6.145 -3.252 77 2HD2 ASN 8 HD22 ASN 8 -6.322 7.240 -2.311 78 H GLY 9 HN GLY 9 -9.585 2.613 1.772 79 1HA GLY 9 HA2 GLY 9 -11.462 1.222 -0.026 80 2HA GLY 9 HA1 GLY 9 -11.206 0.863 1.687 81 H LYS 10 HN LYS 10 -13.727 1.408 0.120 82 HA LYS 10 HA LYS 10 -14.866 3.920 0.668 83 1HB LYS 10 HB2 LYS 10 -16.104 1.151 0.653 84 2HB LYS 10 HB1 LYS 10 -17.010 2.658 0.501 85 1HG LYS 10 HG2 LYS 10 -15.394 3.166 -1.475 86 2HG LYS 10 HG1 LYS 10 -15.054 1.435 -1.437 87 1HD LYS 10 HD2 LYS 10 -17.171 0.861 -2.141 88 2HD LYS 10 HD1 LYS 10 -17.918 2.268 -1.384 89 1HE LYS 10 HE2 LYS 10 -18.050 2.858 -3.648 90 2HE LYS 10 HE1 LYS 10 -16.492 3.587 -3.208 91 1HZ LYS 10 HZ1 LYS 10 -16.209 2.210 -5.154 92 2HZ LYS 10 HZ2 LYS 10 -16.907 0.878 -4.362 93 3HZ LYS 10 HZ3 LYS 10 -15.410 1.492 -3.842 94 H THR 11 HN THR 11 -14.835 0.996 2.731 95 HA THR 11 HA THR 11 -16.008 2.555 4.974 96 HB THR 11 HB THR 11 -15.807 0.030 5.873 97 HG1 THR 11 HG1 THR 11 -15.569 -1.396 4.343 98 1HG2 THR 11 HG21 THR 11 -18.061 -0.353 4.658 99 2HG2 THR 11 HG22 THR 11 -17.818 1.271 4.013 100 3HG2 THR 11 HG23 THR 11 -17.935 1.022 5.755 101 H LEU 12 HN LEU 12 -13.147 0.578 4.163 102 HA LEU 12 HA LEU 12 -11.867 1.303 6.747 103 1HB LEU 12 HB2 LEU 12 -11.159 -0.558 4.459 104 2HB LEU 12 HB1 LEU 12 -10.174 -0.368 5.910 105 HG LEU 12 HG LEU 12 -13.082 -0.934 6.282 106 1HD1 LEU 12 HD11 LEU 12 -12.924 -3.227 5.796 107 2HD1 LEU 12 HD12 LEU 12 -11.161 -3.203 5.800 108 3HD1 LEU 12 HD13 LEU 12 -12.050 -2.487 4.456 109 1HD2 LEU 12 HD21 LEU 12 -12.286 -2.030 8.263 110 2HD2 LEU 12 HD22 LEU 12 -11.364 -0.534 8.124 111 3HD2 LEU 12 HD23 LEU 12 -10.631 -2.068 7.655 112 H LYS 13 HN LYS 13 -10.110 2.688 6.866 113 HA LYS 13 HA LYS 13 -8.721 3.569 4.399 114 1HB LYS 13 HB2 LYS 13 -10.358 5.354 6.230 115 2HB LYS 13 HB1 LYS 13 -9.243 5.963 5.006 116 1HG LYS 13 HG2 LYS 13 -10.553 4.526 3.328 117 2HG LYS 13 HG1 LYS 13 -11.776 4.371 4.589 118 1HD LYS 13 HD2 LYS 13 -11.398 7.045 4.667 119 2HD LYS 13 HD1 LYS 13 -11.017 6.746 2.971 120 1HE LYS 13 HE2 LYS 13 -13.214 5.374 2.910 121 2HE LYS 13 HE1 LYS 13 -13.606 6.199 4.431 122 1HZ LYS 13 HZ1 LYS 13 -12.720 7.590 1.960 123 2HZ LYS 13 HZ2 LYS 13 -13.263 8.312 3.399 124 3HZ LYS 13 HZ3 LYS 13 -14.343 7.434 2.426 125 H GLY 14 HN GLY 14 -6.943 5.231 5.094 126 1HA GLY 14 HA2 GLY 14 -5.856 5.975 7.359 127 2HA GLY 14 HA1 GLY 14 -5.721 4.236 7.615 128 H GLU 15 HN GLU 15 -3.396 4.433 7.641 129 HA GLU 15 HA GLU 15 -2.215 4.474 4.908 130 1HB GLU 15 HB2 GLU 15 -0.448 6.023 5.722 131 2HB GLU 15 HB1 GLU 15 -2.046 6.759 5.818 132 1HG GLU 15 HG2 GLU 15 -1.376 7.256 7.950 133 2HG GLU 15 HG1 GLU 15 -1.922 5.611 8.272 134 H THR 16 HN THR 16 0.057 3.567 4.961 135 HA THR 16 HA THR 16 0.877 2.101 7.380 136 HB THR 16 HB THR 16 -0.911 0.689 6.463 137 HG1 THR 16 HG1 THR 16 0.318 -1.178 6.256 138 1HG2 THR 16 HG21 THR 16 0.724 0.886 3.919 139 2HG2 THR 16 HG22 THR 16 -0.964 1.344 4.161 140 3HG2 THR 16 HG23 THR 16 -0.502 -0.357 4.180 141 H THR 17 HN THR 17 3.017 1.230 7.177 142 HA THR 17 HA THR 17 4.464 1.802 4.620 143 HB THR 17 HB THR 17 6.240 2.879 5.958 144 HG1 THR 17 HG1 THR 17 5.989 1.873 7.905 145 1HG2 THR 17 HG21 THR 17 5.194 4.892 5.900 146 2HG2 THR 17 HG22 THR 17 3.924 4.365 7.004 147 3HG2 THR 17 HG23 THR 17 3.813 3.985 5.286 148 H THR 18 HN THR 18 6.493 0.572 4.455 149 HA THR 18 HA THR 18 6.889 -1.563 6.473 150 HB THR 18 HB THR 18 5.636 -1.796 3.832 151 HG1 THR 18 HG1 THR 18 5.355 -3.983 4.789 152 1HG2 THR 18 HG21 THR 18 7.914 -2.385 3.087 153 2HG2 THR 18 HG22 THR 18 6.840 -3.786 3.044 154 3HG2 THR 18 HG23 THR 18 8.016 -3.614 4.348 155 H GLU 19 HN GLU 19 9.003 -2.751 5.951 156 HA GLU 19 HA GLU 19 10.982 -0.900 4.658 157 1HB GLU 19 HB2 GLU 19 11.044 -0.944 7.150 158 2HB GLU 19 HB1 GLU 19 11.297 -2.689 7.093 159 1HG GLU 19 HG2 GLU 19 13.271 -1.903 5.424 160 2HG GLU 19 HG1 GLU 19 13.187 -0.482 6.466 161 H ALA 20 HN ALA 20 11.727 -1.917 2.828 162 HA ALA 20 HA ALA 20 12.588 -4.752 2.997 163 1HB ALA 20 HB1 ALA 20 10.340 -3.636 1.324 164 2HB ALA 20 HB2 ALA 20 10.341 -5.074 2.347 165 3HB ALA 20 HB3 ALA 20 11.209 -5.083 0.811 166 H VAL 21 HN VAL 21 13.518 -5.379 0.725 167 HA VAL 21 HA VAL 21 15.675 -3.658 0.052 168 HB VAL 21 HB VAL 21 15.919 -5.205 -1.878 169 1HG1 VAL 21 HG11 VAL 21 15.496 -7.381 -0.350 170 2HG1 VAL 21 HG12 VAL 21 15.364 -6.138 0.894 171 3HG1 VAL 21 HG13 VAL 21 16.837 -6.272 -0.067 172 1HG2 VAL 21 HG21 VAL 21 13.749 -5.564 -2.714 173 2HG2 VAL 21 HG22 VAL 21 13.079 -5.894 -1.118 174 3HG2 VAL 21 HG23 VAL 21 14.107 -7.089 -1.907 175 H ASP 22 HN ASP 22 12.482 -4.039 -1.474 176 HA ASP 22 HA ASP 22 12.774 -1.371 -2.739 177 1HB ASP 22 HB2 ASP 22 12.217 -3.954 -4.241 178 2HB ASP 22 HB1 ASP 22 12.186 -2.341 -4.952 179 H ALA 23 HN ALA 23 10.640 -0.619 -3.582 180 HA ALA 23 HA ALA 23 8.471 -1.163 -1.794 181 1HB ALA 23 HB1 ALA 23 7.236 0.027 -3.828 182 2HB ALA 23 HB2 ALA 23 8.886 0.264 -4.402 183 3HB ALA 23 HB3 ALA 23 8.392 0.920 -2.841 184 H ALA 24 HN ALA 24 9.427 -2.618 -4.848 185 HA ALA 24 HA ALA 24 6.978 -3.890 -5.584 186 1HB ALA 24 HB1 ALA 24 9.326 -3.649 -6.745 187 2HB ALA 24 HB2 ALA 24 8.357 -5.087 -7.069 188 3HB ALA 24 HB3 ALA 24 9.690 -5.162 -5.916 189 H THR 25 HN THR 25 9.666 -5.010 -3.517 190 HA THR 25 HA THR 25 8.490 -7.563 -2.854 191 HB THR 25 HB THR 25 10.615 -5.786 -1.609 192 HG1 THR 25 HG1 THR 25 11.837 -6.776 -2.973 193 1HG2 THR 25 HG21 THR 25 9.613 -7.259 0.134 194 2HG2 THR 25 HG22 THR 25 11.285 -7.697 -0.233 195 3HG2 THR 25 HG23 THR 25 9.958 -8.659 -0.886 196 H ALA 26 HN ALA 26 8.669 -4.449 -1.066 197 HA ALA 26 HA ALA 26 7.181 -5.263 1.215 198 1HB ALA 26 HB1 ALA 26 8.401 -3.204 1.244 199 2HB ALA 26 HB2 ALA 26 6.701 -2.731 1.326 200 3HB ALA 26 HB3 ALA 26 7.582 -2.615 -0.203 201 H GLU 27 HN GLU 27 6.018 -3.409 -1.617 202 HA GLU 27 HA GLU 27 3.326 -3.181 -1.138 203 1HB GLU 27 HB2 GLU 27 4.600 -2.400 -3.128 204 2HB GLU 27 HB1 GLU 27 4.619 -4.053 -3.744 205 1HG GLU 27 HG2 GLU 27 1.992 -3.850 -3.377 206 2HG GLU 27 HG1 GLU 27 2.338 -2.129 -3.549 207 H LYS 28 HN LYS 28 4.939 -6.195 -2.161 208 HA LYS 28 HA LYS 28 2.554 -7.732 -2.679 209 1HB LYS 28 HB2 LYS 28 5.296 -8.548 -1.632 210 2HB LYS 28 HB1 LYS 28 4.114 -9.647 -2.342 211 1HG LYS 28 HG2 LYS 28 4.409 -8.799 -4.487 212 2HG LYS 28 HG1 LYS 28 4.970 -7.233 -3.901 213 1HD LYS 28 HD2 LYS 28 7.009 -8.102 -4.522 214 2HD LYS 28 HD1 LYS 28 6.928 -8.774 -2.893 215 1HE LYS 28 HE2 LYS 28 6.065 -10.888 -3.747 216 2HE LYS 28 HE1 LYS 28 5.967 -10.220 -5.389 217 1HZ LYS 28 HZ1 LYS 28 8.055 -11.489 -4.901 218 2HZ LYS 28 HZ2 LYS 28 8.471 -10.266 -3.797 219 3HZ LYS 28 HZ3 LYS 28 8.300 -9.903 -5.448 220 H VAL 29 HN VAL 29 4.551 -7.239 0.226 221 HA VAL 29 HA VAL 29 2.929 -8.857 2.007 222 HB VAL 29 HB VAL 29 5.003 -6.658 2.284 223 1HG1 VAL 29 HG11 VAL 29 3.456 -6.466 4.222 224 2HG1 VAL 29 HG12 VAL 29 5.051 -7.050 4.711 225 3HG1 VAL 29 HG13 VAL 29 3.704 -8.181 4.570 226 1HG2 VAL 29 HG21 VAL 29 6.085 -8.632 1.704 227 2HG2 VAL 29 HG22 VAL 29 4.909 -9.644 2.543 228 3HG2 VAL 29 HG23 VAL 29 6.113 -8.743 3.464 229 H LEU 30 HN LEU 30 2.955 -5.420 1.055 230 HA LEU 30 HA LEU 30 1.018 -4.536 2.973 231 1HB LEU 30 HB2 LEU 30 1.996 -3.592 0.270 232 2HB LEU 30 HB1 LEU 30 0.742 -2.708 1.122 233 HG LEU 30 HG LEU 30 3.262 -2.010 1.407 234 1HD1 LEU 30 HD11 LEU 30 2.806 -1.358 3.795 235 2HD1 LEU 30 HD12 LEU 30 1.305 -2.288 3.686 236 3HD1 LEU 30 HD13 LEU 30 1.554 -0.889 2.638 237 1HD2 LEU 30 HD21 LEU 30 4.204 -3.032 3.514 238 2HD2 LEU 30 HD22 LEU 30 4.293 -4.029 2.079 239 3HD2 LEU 30 HD23 LEU 30 3.072 -4.352 3.306 240 H LYS 31 HN LYS 31 0.796 -6.040 -0.204 241 HA LYS 31 HA LYS 31 -2.018 -5.680 -0.709 242 1HB LYS 31 HB2 LYS 31 0.039 -6.697 -2.094 243 2HB LYS 31 HB1 LYS 31 -0.514 -8.195 -1.385 244 1HG LYS 31 HG2 LYS 31 -2.424 -6.330 -2.795 245 2HG LYS 31 HG1 LYS 31 -1.510 -7.551 -3.677 246 1HD LYS 31 HD2 LYS 31 -3.407 -8.074 -1.365 247 2HD LYS 31 HD1 LYS 31 -3.721 -8.431 -3.062 248 1HE LYS 31 HE2 LYS 31 -1.231 -9.644 -2.490 249 2HE LYS 31 HE1 LYS 31 -2.291 -10.037 -1.116 250 1HZ LYS 31 HZ1 LYS 31 -4.031 -10.650 -2.715 251 2HZ LYS 31 HZ2 LYS 31 -2.647 -11.617 -2.902 252 3HZ LYS 31 HZ3 LYS 31 -2.963 -10.359 -3.999 253 H GLN 32 HN GLN 32 -0.127 -8.198 0.926 254 HA GLN 32 HA GLN 32 -2.194 -9.994 1.656 255 1HB GLN 32 HB2 GLN 32 0.517 -9.237 2.596 256 2HB GLN 32 HB1 GLN 32 -0.480 -10.160 3.721 257 1HG GLN 32 HG2 GLN 32 -0.731 -11.964 2.188 258 2HG GLN 32 HG1 GLN 32 -0.108 -11.003 0.847 259 1HE2 GLN 32 HE21 GLN 32 2.045 -11.415 0.358 260 2HE2 GLN 32 HE22 GLN 32 3.205 -12.003 1.462 261 H TYR 33 HN TYR 33 -1.018 -7.044 3.261 262 HA TYR 33 HA TYR 33 -2.690 -7.178 5.612 263 1HB TYR 33 HB2 TYR 33 -0.721 -5.730 5.402 264 2HB TYR 33 HB1 TYR 33 -1.465 -4.866 4.056 265 HD1 TYR 33 HD1 TYR 33 -1.769 -5.628 7.666 266 HD2 TYR 33 HD2 TYR 33 -3.035 -3.110 4.430 267 HE1 TYR 33 HE1 TYR 33 -2.897 -4.137 9.276 268 HE2 TYR 33 HE2 TYR 33 -4.160 -1.605 6.044 269 HH TYR 33 HH TYR 33 -4.041 -1.026 8.416 270 H ILE 34 HN ILE 34 -3.097 -5.787 2.380 271 HA ILE 34 HA ILE 34 -5.674 -4.556 2.815 272 HB ILE 34 HB ILE 34 -4.276 -5.617 0.338 273 1HG1 ILE 34 HG12 ILE 34 -3.128 -3.855 1.853 274 2HG1 ILE 34 HG11 ILE 34 -3.232 -3.509 0.134 275 1HG2 ILE 34 HG21 ILE 34 -6.671 -5.266 -0.074 276 2HG2 ILE 34 HG22 ILE 34 -5.712 -4.051 -0.919 277 3HG2 ILE 34 HG23 ILE 34 -6.552 -3.629 0.573 278 1HD1 ILE 34 HD11 ILE 34 -4.895 -1.890 0.443 279 2HD1 ILE 34 HD12 ILE 34 -3.879 -1.653 1.866 280 3HD1 ILE 34 HD13 ILE 34 -5.391 -2.553 2.000 281 H ASN 35 HN ASN 35 -4.608 -7.813 2.019 282 HA ASN 35 HA ASN 35 -7.001 -8.928 0.962 283 1HB ASN 35 HB2 ASN 35 -4.664 -9.911 1.104 284 2HB ASN 35 HB1 ASN 35 -4.991 -10.263 2.801 285 1HD2 ASN 35 HD21 ASN 35 -4.559 -12.256 0.639 286 2HD2 ASN 35 HD22 ASN 35 -5.977 -13.186 0.563 287 H ASP 36 HN ASP 36 -6.084 -8.139 4.267 288 HA ASP 36 HA ASP 36 -8.244 -9.671 5.518 289 1HB ASP 36 HB2 ASP 36 -6.288 -7.543 6.435 290 2HB ASP 36 HB1 ASP 36 -7.430 -8.333 7.524 291 H ASN 37 HN ASN 37 -7.578 -6.175 5.074 292 HA ASN 37 HA ASN 37 -10.078 -5.223 6.085 293 1HB ASN 37 HB2 ASN 37 -8.144 -4.105 4.026 294 2HB ASN 37 HB1 ASN 37 -9.423 -3.167 4.806 295 1HD2 ASN 37 HD21 ASN 37 -6.346 -3.022 5.016 296 2HD2 ASN 37 HD22 ASN 37 -6.050 -3.074 6.695 297 H GLY 38 HN GLY 38 -9.132 -6.466 2.929 298 1HA GLY 38 HA2 GLY 38 -10.564 -7.268 1.217 299 2HA GLY 38 HA1 GLY 38 -11.947 -6.667 2.132 300 H ILE 39 HN ILE 39 -9.169 -4.652 1.380 301 HA ILE 39 HA ILE 39 -10.933 -3.013 -0.409 302 HB ILE 39 HB ILE 39 -8.558 -2.264 1.333 303 1HG1 ILE 39 HG12 ILE 39 -10.560 -2.862 2.646 304 2HG1 ILE 39 HG11 ILE 39 -10.255 -1.125 2.734 305 1HG2 ILE 39 HG21 ILE 39 -10.406 -0.618 -0.411 306 2HG2 ILE 39 HG22 ILE 39 -8.651 -0.746 -0.524 307 3HG2 ILE 39 HG23 ILE 39 -9.389 0.086 0.845 308 1HD1 ILE 39 HD11 ILE 39 -11.907 -0.877 0.795 309 2HD1 ILE 39 HD12 ILE 39 -12.603 -1.352 2.345 310 3HD1 ILE 39 HD13 ILE 39 -12.350 -2.560 1.085 311 H ASP 40 HN ASP 40 -10.119 -4.620 -2.122 312 HA ASP 40 HA ASP 40 -7.397 -3.827 -3.112 313 1HB ASP 40 HB2 ASP 40 -8.919 -6.390 -2.924 314 2HB ASP 40 HB1 ASP 40 -7.874 -6.176 -4.333 315 H GLY 41 HN GLY 41 -7.714 -2.374 -4.767 316 1HA GLY 41 HA2 GLY 41 -9.599 -3.138 -6.934 317 2HA GLY 41 HA1 GLY 41 -9.769 -1.533 -6.216 318 H GLU 42 HN GLU 42 -7.986 -0.022 -6.466 319 HA GLU 42 HA GLU 42 -6.051 -0.748 -8.641 320 1HB GLU 42 HB2 GLU 42 -8.251 1.156 -8.589 321 2HB GLU 42 HB1 GLU 42 -6.725 1.988 -8.882 322 1HG GLU 42 HG2 GLU 42 -7.050 1.379 -11.045 323 2HG GLU 42 HG1 GLU 42 -6.459 -0.196 -10.517 324 H TRP 43 HN TRP 43 -4.001 -0.443 -7.887 325 HA TRP 43 HA TRP 43 -3.530 1.423 -5.608 326 1HB TRP 43 HB2 TRP 43 -1.896 -0.744 -6.967 327 2HB TRP 43 HB1 TRP 43 -1.268 0.267 -5.680 328 HD1 TRP 43 HD1 TRP 43 -4.877 -1.066 -5.557 329 HE1 TRP 43 HE1 TRP 43 -5.041 -2.749 -3.629 330 HE3 TRP 43 HE3 TRP 43 0.019 -1.304 -4.201 331 HZ2 TRP 43 HZ2 TRP 43 -3.332 -4.000 -1.722 332 HZ3 TRP 43 HZ3 TRP 43 0.726 -2.736 -2.297 333 HH2 TRP 43 HH2 TRP 43 -0.937 -4.079 -1.062 334 H THR 44 HN THR 44 -1.569 2.832 -5.785 335 HA THR 44 HA THR 44 -0.617 3.431 -8.527 336 HB THR 44 HB THR 44 -1.242 5.804 -8.298 337 HG1 THR 44 HG1 THR 44 -2.704 6.290 -6.535 338 1HG2 THR 44 HG21 THR 44 -3.701 4.151 -7.714 339 2HG2 THR 44 HG22 THR 44 -2.837 4.028 -9.247 340 3HG2 THR 44 HG23 THR 44 -3.558 5.563 -8.761 341 H TYR 45 HN TYR 45 1.529 3.901 -8.419 342 HA TYR 45 HA TYR 45 2.777 4.242 -5.748 343 1HB TYR 45 HB2 TYR 45 3.582 2.544 -7.360 344 2HB TYR 45 HB1 TYR 45 3.908 3.814 -8.538 345 HD1 TYR 45 HD1 TYR 45 6.170 4.295 -8.741 346 HD2 TYR 45 HD2 TYR 45 4.571 3.361 -4.866 347 HE1 TYR 45 HE1 TYR 45 8.403 4.667 -7.730 348 HE2 TYR 45 HE2 TYR 45 6.804 3.730 -3.855 349 HH TYR 45 HH TYR 45 9.576 3.732 -5.472 350 H ASP 46 HN ASP 46 4.479 5.962 -5.518 351 HA ASP 46 HA ASP 46 4.149 8.291 -7.366 352 1HB ASP 46 HB2 ASP 46 4.049 8.411 -4.330 353 2HB ASP 46 HB1 ASP 46 3.857 9.768 -5.435 354 H ASP 47 HN ASP 47 6.144 9.016 -7.954 355 HA ASP 47 HA ASP 47 8.580 7.972 -6.788 356 1HB ASP 47 HB2 ASP 47 9.621 9.558 -8.401 357 2HB ASP 47 HB1 ASP 47 8.340 8.605 -9.150 358 H ALA 48 HN ALA 48 6.503 10.492 -5.775 359 HA ALA 48 HA ALA 48 8.206 12.538 -4.845 360 1HB ALA 48 HB1 ALA 48 6.320 12.548 -2.975 361 2HB ALA 48 HB2 ALA 48 5.592 11.317 -4.010 362 3HB ALA 48 HB3 ALA 48 5.914 12.931 -4.649 363 H THR 49 HN THR 49 6.848 10.055 -2.675 364 HA THR 49 HA THR 49 9.510 9.832 -1.316 365 HB THR 49 HB THR 49 8.040 11.382 -0.091 366 HG1 THR 49 HG1 THR 49 8.172 10.346 1.847 367 1HG2 THR 49 HG21 THR 49 5.812 11.086 -0.084 368 2HG2 THR 49 HG22 THR 49 6.009 9.586 0.821 369 3HG2 THR 49 HG23 THR 49 6.012 9.558 -0.943 370 H LYS 50 HN LYS 50 8.227 8.067 -3.262 371 HA LYS 50 HA LYS 50 7.759 5.788 -3.580 372 1HB LYS 50 HB2 LYS 50 9.066 5.658 -0.841 373 2HB LYS 50 HB1 LYS 50 8.881 4.302 -1.953 374 1HG LYS 50 HG2 LYS 50 10.235 5.516 -3.640 375 2HG LYS 50 HG1 LYS 50 10.459 6.836 -2.491 376 1HD LYS 50 HD2 LYS 50 11.147 4.077 -1.579 377 2HD LYS 50 HD1 LYS 50 12.248 4.865 -2.710 378 1HE LYS 50 HE2 LYS 50 11.304 6.510 -0.405 379 2HE LYS 50 HE1 LYS 50 12.476 5.223 -0.055 380 1HZ LYS 50 HZ1 LYS 50 13.682 7.170 -0.705 381 2HZ LYS 50 HZ2 LYS 50 12.733 7.363 -2.101 382 3HZ LYS 50 HZ3 LYS 50 13.794 6.042 -1.966 383 H THR 51 HN THR 51 5.534 7.211 -2.704 384 HA THR 51 HA THR 51 4.308 5.661 -0.482 385 HB THR 51 HB THR 51 3.368 8.018 -2.159 386 HG1 THR 51 HG1 THR 51 3.963 9.205 -0.389 387 1HG2 THR 51 HG21 THR 51 2.140 6.519 0.146 388 2HG2 THR 51 HG22 THR 51 1.382 7.059 -1.351 389 3HG2 THR 51 HG23 THR 51 1.786 8.230 -0.096 390 H TRP 52 HN TRP 52 2.014 4.853 -0.918 391 HA TRP 52 HA TRP 52 1.669 3.912 -3.743 392 1HB TRP 52 HB2 TRP 52 1.742 2.424 -1.126 393 2HB TRP 52 HB1 TRP 52 0.866 1.775 -2.508 394 HD1 TRP 52 HD1 TRP 52 4.343 2.305 -1.169 395 HE1 TRP 52 HE1 TRP 52 6.047 1.255 -2.804 396 HE3 TRP 52 HE3 TRP 52 1.251 1.256 -5.040 397 HZ2 TRP 52 HZ2 TRP 52 6.068 0.106 -5.440 398 HZ3 TRP 52 HZ3 TRP 52 2.109 0.181 -7.113 399 HH2 TRP 52 HH2 TRP 52 4.515 -0.396 -7.313 400 H THR 53 HN THR 53 -0.641 2.560 -3.557 401 HA THR 53 HA THR 53 -2.636 3.960 -1.910 402 HB THR 53 HB THR 53 -2.805 4.140 -4.927 403 HG1 THR 53 HG1 THR 53 -1.654 5.907 -4.865 404 1HG2 THR 53 HG21 THR 53 -4.930 4.546 -4.075 405 2HG2 THR 53 HG22 THR 53 -4.253 6.175 -4.097 406 3HG2 THR 53 HG23 THR 53 -4.307 5.263 -2.589 407 H VAL 54 HN VAL 54 -4.902 3.095 -2.536 408 HA VAL 54 HA VAL 54 -5.129 0.630 -4.047 409 HB VAL 54 HB VAL 54 -3.840 -0.305 -2.234 410 1HG1 VAL 54 HG11 VAL 54 -4.424 0.019 0.119 411 2HG1 VAL 54 HG12 VAL 54 -5.781 1.042 -0.348 412 3HG1 VAL 54 HG13 VAL 54 -4.130 1.570 -0.663 413 1HG2 VAL 54 HG21 VAL 54 -5.224 -2.033 -1.568 414 2HG2 VAL 54 HG22 VAL 54 -6.215 -1.350 -2.863 415 3HG2 VAL 54 HG23 VAL 54 -6.563 -0.949 -1.182 416 H THR 55 HN THR 55 -6.876 2.146 -4.742 417 HA THR 55 HA THR 55 -9.061 2.758 -2.886 418 HB THR 55 HB THR 55 -9.130 2.904 -5.902 419 HG1 THR 55 HG1 THR 55 -8.105 4.986 -5.570 420 1HG2 THR 55 HG21 THR 55 -11.154 3.551 -4.707 421 2HG2 THR 55 HG22 THR 55 -10.389 4.992 -5.378 422 3HG2 THR 55 HG23 THR 55 -10.225 4.625 -3.660 423 H GLU 56 HN GLU 56 -10.967 1.599 -2.664 424 HA GLU 56 HA GLU 56 -11.097 -1.135 -3.642 425 1HB GLU 56 HB2 GLU 56 -12.000 -0.045 -1.469 426 2HB GLU 56 HB1 GLU 56 -13.361 0.481 -2.461 427 1HG GLU 56 HG2 GLU 56 -12.537 -2.389 -2.625 428 2HG GLU 56 HG1 GLU 56 -13.410 -1.859 -1.186 Start of MODEL 10 1 1H THR 1 HT1 THR 1 13.541 7.609 3.892 2 2H THR 1 HT2 THR 1 12.552 6.765 2.798 3 3H THR 1 HT3 THR 1 14.041 6.107 3.284 4 HA THR 1 HA THR 1 13.264 5.726 5.492 5 HB THR 1 HB THR 1 12.076 7.875 5.630 6 HG1 THR 1 HG1 THR 1 10.429 7.135 6.869 7 1HG2 THR 1 HG21 THR 1 11.082 7.997 3.431 8 2HG2 THR 1 HG22 THR 1 9.774 8.026 4.614 9 3HG2 THR 1 HG23 THR 1 10.130 6.542 3.729 10 H THR 2 HN THR 2 11.232 4.262 6.080 11 HA THR 2 HA THR 2 11.166 2.054 4.266 12 HB THR 2 HB THR 2 10.769 1.918 6.693 13 HG1 THR 2 HG1 THR 2 9.597 0.252 6.282 14 1HG2 THR 2 HG21 THR 2 9.168 3.099 7.800 15 2HG2 THR 2 HG22 THR 2 7.988 2.903 6.505 16 3HG2 THR 2 HG23 THR 2 9.233 4.147 6.383 17 H PHE 3 HN PHE 3 8.998 1.172 3.383 18 HA PHE 3 HA PHE 3 7.841 3.175 1.586 19 1HB PHE 3 HB2 PHE 3 7.273 0.232 2.084 20 2HB PHE 3 HB1 PHE 3 6.653 1.161 0.719 21 HD1 PHE 3 HD1 PHE 3 8.755 2.740 -0.293 22 HD2 PHE 3 HD2 PHE 3 9.027 -1.174 1.460 23 HE1 PHE 3 HE1 PHE 3 10.866 2.332 -1.528 24 HE2 PHE 3 HE2 PHE 3 11.137 -1.580 0.223 25 HZ PHE 3 HZ PHE 3 12.057 0.173 -1.270 26 H LYS 4 HN LYS 4 5.429 3.405 1.391 27 HA LYS 4 HA LYS 4 3.922 2.913 3.923 28 1HB LYS 4 HB2 LYS 4 5.076 5.189 3.852 29 2HB LYS 4 HB1 LYS 4 4.024 5.583 2.502 30 1HG LYS 4 HG2 LYS 4 2.042 5.148 3.896 31 2HG LYS 4 HG1 LYS 4 3.086 4.750 5.259 32 1HD LYS 4 HD2 LYS 4 3.581 6.932 5.688 33 2HD LYS 4 HD1 LYS 4 3.652 7.355 3.978 34 1HE LYS 4 HE2 LYS 4 1.477 8.039 3.950 35 2HE LYS 4 HE1 LYS 4 0.939 6.646 4.910 36 1HZ LYS 4 HZ1 LYS 4 1.884 7.663 6.878 37 2HZ LYS 4 HZ2 LYS 4 0.761 8.722 6.169 38 3HZ LYS 4 HZ3 LYS 4 2.427 8.990 5.973 39 H LEU 5 HN LEU 5 1.623 2.920 3.608 40 HA LEU 5 HA LEU 5 0.542 3.359 0.887 41 1HB LEU 5 HB2 LEU 5 1.492 0.912 1.385 42 2HB LEU 5 HB1 LEU 5 -0.048 0.732 2.212 43 HG LEU 5 HG LEU 5 -0.376 2.007 -0.399 44 1HD1 LEU 5 HD11 LEU 5 0.411 -0.891 -0.564 45 2HD1 LEU 5 HD12 LEU 5 1.658 0.360 -0.654 46 3HD1 LEU 5 HD13 LEU 5 0.354 0.327 -1.848 47 1HD2 LEU 5 HD21 LEU 5 -1.479 -0.481 0.939 48 2HD2 LEU 5 HD22 LEU 5 -2.043 0.131 -0.616 49 3HD2 LEU 5 HD23 LEU 5 -2.249 1.103 0.841 50 H ILE 6 HN ILE 6 -1.536 4.147 1.064 51 HA ILE 6 HA ILE 6 -2.794 4.126 3.775 52 HB ILE 6 HB ILE 6 -3.103 5.871 1.315 53 1HG1 ILE 6 HG12 ILE 6 -0.985 6.138 2.575 54 2HG1 ILE 6 HG11 ILE 6 -2.001 7.572 2.709 55 1HG2 ILE 6 HG21 ILE 6 -4.574 5.835 3.944 56 2HG2 ILE 6 HG22 ILE 6 -5.227 6.005 2.314 57 3HG2 ILE 6 HG23 ILE 6 -4.360 7.347 3.062 58 1HD1 ILE 6 HD11 ILE 6 -1.802 7.381 4.949 59 2HD1 ILE 6 HD12 ILE 6 -1.041 5.797 4.802 60 3HD1 ILE 6 HD13 ILE 6 -2.799 5.930 4.842 61 H ILE 7 HN ILE 7 -4.815 3.211 4.051 62 HA ILE 7 HA ILE 7 -5.912 1.595 1.829 63 HB ILE 7 HB ILE 7 -6.652 1.882 4.763 64 1HG1 ILE 7 HG12 ILE 7 -5.156 -0.386 3.430 65 2HG1 ILE 7 HG11 ILE 7 -4.320 0.994 4.142 66 1HG2 ILE 7 HG21 ILE 7 -7.884 -0.207 4.452 67 2HG2 ILE 7 HG22 ILE 7 -7.400 -0.269 2.757 68 3HG2 ILE 7 HG23 ILE 7 -8.486 1.002 3.318 69 1HD1 ILE 7 HD11 ILE 7 -5.859 0.451 6.224 70 2HD1 ILE 7 HD12 ILE 7 -4.370 -0.455 5.958 71 3HD1 ILE 7 HD13 ILE 7 -5.921 -1.151 5.490 72 H ASN 8 HN ASN 8 -7.339 2.624 0.486 73 HA ASN 8 HA ASN 8 -9.136 4.730 1.625 74 1HB ASN 8 HB2 ASN 8 -7.889 4.133 -1.040 75 2HB ASN 8 HB1 ASN 8 -9.390 5.056 -0.998 76 1HD2 ASN 8 HD21 ASN 8 -7.230 6.450 -1.942 77 2HD2 ASN 8 HD22 ASN 8 -6.647 7.549 -0.775 78 H GLY 9 HN GLY 9 -9.938 2.204 2.283 79 1HA GLY 9 HA2 GLY 9 -11.748 1.117 0.244 80 2HA GLY 9 HA1 GLY 9 -11.551 0.505 1.891 81 H LYS 10 HN LYS 10 -14.006 1.270 0.290 82 HA LYS 10 HA LYS 10 -15.224 3.638 1.198 83 1HB LYS 10 HB2 LYS 10 -16.402 0.902 0.631 84 2HB LYS 10 HB1 LYS 10 -17.328 2.403 0.687 85 1HG LYS 10 HG2 LYS 10 -15.562 3.241 -1.064 86 2HG LYS 10 HG1 LYS 10 -15.282 1.520 -1.331 87 1HD LYS 10 HD2 LYS 10 -17.366 1.180 -2.244 88 2HD LYS 10 HD1 LYS 10 -18.118 2.436 -1.261 89 1HE LYS 10 HE2 LYS 10 -16.616 4.065 -2.696 90 2HE LYS 10 HE1 LYS 10 -16.611 2.714 -3.847 91 1HZ LYS 10 HZ1 LYS 10 -18.532 4.157 -4.199 92 2HZ LYS 10 HZ2 LYS 10 -19.031 3.905 -2.595 93 3HZ LYS 10 HZ3 LYS 10 -19.017 2.612 -3.697 94 H THR 11 HN THR 11 -14.855 0.523 2.829 95 HA THR 11 HA THR 11 -16.274 1.642 5.225 96 HB THR 11 HB THR 11 -15.735 -1.263 4.576 97 HG1 THR 11 HG1 THR 11 -17.380 -1.255 3.260 98 1HG2 THR 11 HG21 THR 11 -17.275 -1.736 6.242 99 2HG2 THR 11 HG22 THR 11 -18.110 -0.194 6.051 100 3HG2 THR 11 HG23 THR 11 -16.557 -0.258 6.883 101 H LEU 12 HN LEU 12 -13.359 0.032 4.049 102 HA LEU 12 HA LEU 12 -12.190 0.115 6.805 103 1HB LEU 12 HB2 LEU 12 -11.475 -1.398 4.273 104 2HB LEU 12 HB1 LEU 12 -10.566 -1.507 5.781 105 HG LEU 12 HG LEU 12 -13.525 -1.964 5.862 106 1HD1 LEU 12 HD11 LEU 12 -12.653 -3.325 3.951 107 2HD1 LEU 12 HD12 LEU 12 -13.237 -4.315 5.289 108 3HD1 LEU 12 HD13 LEU 12 -11.505 -4.079 5.057 109 1HD2 LEU 12 HD21 LEU 12 -12.970 -3.284 7.765 110 2HD2 LEU 12 HD22 LEU 12 -11.916 -1.874 7.868 111 3HD2 LEU 12 HD23 LEU 12 -11.279 -3.410 7.280 112 H LYS 13 HN LYS 13 -10.221 1.214 7.138 113 HA LYS 13 HA LYS 13 -8.826 2.483 4.860 114 1HB LYS 13 HB2 LYS 13 -10.474 3.912 6.946 115 2HB LYS 13 HB1 LYS 13 -9.139 4.731 6.134 116 1HG LYS 13 HG2 LYS 13 -10.213 3.982 3.932 117 2HG LYS 13 HG1 LYS 13 -11.634 3.563 4.890 118 1HD LYS 13 HD2 LYS 13 -10.354 6.295 5.049 119 2HD LYS 13 HD1 LYS 13 -11.599 5.916 3.858 120 1HE LYS 13 HE2 LYS 13 -13.218 5.434 5.568 121 2HE LYS 13 HE1 LYS 13 -11.975 5.458 6.835 122 1HZ LYS 13 HZ1 LYS 13 -12.644 7.758 5.075 123 2HZ LYS 13 HZ2 LYS 13 -11.529 7.759 6.356 124 3HZ LYS 13 HZ3 LYS 13 -13.189 7.581 6.671 125 H GLY 14 HN GLY 14 -7.122 4.139 6.070 126 1HA GLY 14 HA2 GLY 14 -5.889 4.240 8.317 127 2HA GLY 14 HA1 GLY 14 -5.832 2.481 8.197 128 H GLU 15 HN GLU 15 -3.412 3.302 8.406 129 HA GLU 15 HA GLU 15 -2.318 3.534 5.620 130 1HB GLU 15 HB2 GLU 15 -0.527 4.931 6.649 131 2HB GLU 15 HB1 GLU 15 -2.124 5.641 6.875 132 1HG GLU 15 HG2 GLU 15 -2.237 4.749 9.150 133 2HG GLU 15 HG1 GLU 15 -0.687 3.937 8.932 134 H THR 16 HN THR 16 0.040 2.735 5.565 135 HA THR 16 HA THR 16 0.885 0.857 7.652 136 HB THR 16 HB THR 16 -0.918 -0.393 6.544 137 HG1 THR 16 HG1 THR 16 0.392 -2.167 5.830 138 1HG2 THR 16 HG21 THR 16 0.657 0.269 4.043 139 2HG2 THR 16 HG22 THR 16 -1.040 0.614 4.385 140 3HG2 THR 16 HG23 THR 16 -0.519 -1.046 4.103 141 H THR 17 HN THR 17 3.058 0.194 7.340 142 HA THR 17 HA THR 17 4.413 1.144 4.840 143 HB THR 17 HB THR 17 6.275 1.872 6.393 144 HG1 THR 17 HG1 THR 17 5.919 0.941 8.282 145 1HG2 THR 17 HG21 THR 17 4.872 3.864 7.312 146 2HG2 THR 17 HG22 THR 17 3.538 3.121 6.431 147 3HG2 THR 17 HG23 THR 17 4.982 3.646 5.566 148 H THR 18 HN THR 18 6.406 -0.033 4.378 149 HA THR 18 HA THR 18 6.917 -2.459 6.001 150 HB THR 18 HB THR 18 5.524 -2.262 3.420 151 HG1 THR 18 HG1 THR 18 6.121 -4.348 5.248 152 1HG2 THR 18 HG21 THR 18 7.792 -2.768 2.533 153 2HG2 THR 18 HG22 THR 18 6.639 -4.073 2.249 154 3HG2 THR 18 HG23 THR 18 7.839 -4.219 3.535 155 H GLU 19 HN GLU 19 9.074 -3.311 5.606 156 HA GLU 19 HA GLU 19 10.913 -1.347 4.280 157 1HB GLU 19 HB2 GLU 19 10.816 -2.208 6.886 158 2HB GLU 19 HB1 GLU 19 11.982 -3.336 6.193 159 1HG GLU 19 HG2 GLU 19 12.931 -1.083 5.103 160 2HG GLU 19 HG1 GLU 19 12.180 -0.378 6.536 161 H ALA 20 HN ALA 20 11.913 -2.119 2.464 162 HA ALA 20 HA ALA 20 12.702 -4.951 2.245 163 1HB ALA 20 HB1 ALA 20 10.603 -5.414 1.438 164 2HB ALA 20 HB2 ALA 20 11.280 -4.774 -0.060 165 3HB ALA 20 HB3 ALA 20 10.302 -3.737 0.981 166 H VAL 21 HN VAL 21 13.536 -5.269 -0.167 167 HA VAL 21 HA VAL 21 15.723 -3.512 -0.613 168 HB VAL 21 HB VAL 21 15.897 -4.746 -2.761 169 1HG1 VAL 21 HG11 VAL 21 15.365 -6.088 -0.157 170 2HG1 VAL 21 HG12 VAL 21 16.820 -6.097 -1.154 171 3HG1 VAL 21 HG13 VAL 21 15.451 -7.124 -1.582 172 1HG2 VAL 21 HG21 VAL 21 14.042 -6.565 -3.045 173 2HG2 VAL 21 HG22 VAL 21 13.705 -4.926 -3.599 174 3HG2 VAL 21 HG23 VAL 21 13.056 -5.486 -2.059 175 H ASP 22 HN ASP 22 12.496 -3.585 -2.135 176 HA ASP 22 HA ASP 22 12.838 -0.754 -2.958 177 1HB ASP 22 HB2 ASP 22 12.231 -3.049 -4.856 178 2HB ASP 22 HB1 ASP 22 12.228 -1.342 -5.296 179 H ALA 23 HN ALA 23 10.702 0.099 -3.815 180 HA ALA 23 HA ALA 23 8.519 -0.593 -2.083 181 1HB ALA 23 HB1 ALA 23 7.276 0.904 -3.770 182 2HB ALA 23 HB2 ALA 23 8.810 1.014 -4.632 183 3HB ALA 23 HB3 ALA 23 8.682 1.618 -2.980 184 H ALA 24 HN ALA 24 9.454 -1.680 -5.297 185 HA ALA 24 HA ALA 24 6.995 -2.830 -6.176 186 1HB ALA 24 HB1 ALA 24 8.508 -4.193 -7.605 187 2HB ALA 24 HB2 ALA 24 9.875 -3.699 -6.605 188 3HB ALA 24 HB3 ALA 24 9.007 -2.502 -7.567 189 H THR 25 HN THR 25 9.646 -4.211 -4.226 190 HA THR 25 HA THR 25 8.434 -6.821 -3.922 191 HB THR 25 HB THR 25 10.591 -5.262 -2.482 192 HG1 THR 25 HG1 THR 25 11.409 -5.892 -4.335 193 1HG2 THR 25 HG21 THR 25 9.574 -6.899 -0.908 194 2HG2 THR 25 HG22 THR 25 11.229 -7.338 -1.344 195 3HG2 THR 25 HG23 THR 25 9.869 -8.181 -2.087 196 H ALA 26 HN ALA 26 8.594 -3.923 -1.836 197 HA ALA 26 HA ALA 26 7.174 -4.983 0.386 198 1HB ALA 26 HB1 ALA 26 7.473 -2.188 -0.750 199 2HB ALA 26 HB2 ALA 26 8.405 -2.923 0.555 200 3HB ALA 26 HB3 ALA 26 6.706 -2.508 0.811 201 H GLU 27 HN GLU 27 5.852 -2.695 -2.045 202 HA GLU 27 HA GLU 27 3.182 -2.740 -1.406 203 1HB GLU 27 HB2 GLU 27 2.786 -2.171 -3.762 204 2HB GLU 27 HB1 GLU 27 4.261 -1.404 -3.182 205 1HG GLU 27 HG2 GLU 27 5.288 -2.323 -4.972 206 2HG GLU 27 HG1 GLU 27 5.151 -3.860 -4.123 207 H LYS 28 HN LYS 28 4.912 -5.425 -2.933 208 HA LYS 28 HA LYS 28 2.596 -6.902 -3.844 209 1HB LYS 28 HB2 LYS 28 5.388 -7.693 -2.936 210 2HB LYS 28 HB1 LYS 28 4.247 -8.835 -3.643 211 1HG LYS 28 HG2 LYS 28 4.294 -7.780 -5.739 212 2HG LYS 28 HG1 LYS 28 4.916 -6.272 -5.070 213 1HD LYS 28 HD2 LYS 28 6.905 -7.076 -5.892 214 2HD LYS 28 HD1 LYS 28 6.922 -7.938 -4.353 215 1HE LYS 28 HE2 LYS 28 6.539 -9.965 -5.346 216 2HE LYS 28 HE1 LYS 28 5.418 -9.276 -6.538 217 1HZ LYS 28 HZ1 LYS 28 7.435 -9.888 -7.658 218 2HZ LYS 28 HZ2 LYS 28 8.381 -9.034 -6.535 219 3HZ LYS 28 HZ3 LYS 28 7.353 -8.195 -7.597 220 H VAL 29 HN VAL 29 4.543 -7.008 -0.854 221 HA VAL 29 HA VAL 29 2.898 -8.930 0.545 222 HB VAL 29 HB VAL 29 4.942 -6.811 1.271 223 1HG1 VAL 29 HG11 VAL 29 3.580 -8.688 3.233 224 2HG1 VAL 29 HG12 VAL 29 3.357 -6.936 3.177 225 3HG1 VAL 29 HG13 VAL 29 4.933 -7.615 3.597 226 1HG2 VAL 29 HG21 VAL 29 5.861 -8.780 0.263 227 2HG2 VAL 29 HG22 VAL 29 4.866 -9.835 1.267 228 3HG2 VAL 29 HG23 VAL 29 6.181 -8.911 1.993 229 H LEU 30 HN LEU 30 2.835 -5.399 0.206 230 HA LEU 30 HA LEU 30 0.867 -4.901 2.237 231 1HB LEU 30 HB2 LEU 30 1.792 -3.471 -0.266 232 2HB LEU 30 HB1 LEU 30 0.563 -2.779 0.774 233 HG LEU 30 HG LEU 30 3.138 -2.158 1.070 234 1HD1 LEU 30 HD11 LEU 30 1.177 -2.655 3.310 235 2HD1 LEU 30 HD12 LEU 30 1.445 -1.153 2.422 236 3HD1 LEU 30 HD13 LEU 30 2.696 -1.771 3.510 237 1HD2 LEU 30 HD21 LEU 30 2.875 -4.715 2.668 238 2HD2 LEU 30 HD22 LEU 30 4.028 -3.459 3.065 239 3HD2 LEU 30 HD23 LEU 30 4.126 -4.269 1.513 240 H LYS 31 HN LYS 31 0.724 -5.842 -1.156 241 HA LYS 31 HA LYS 31 -2.090 -5.471 -1.644 242 1HB LYS 31 HB2 LYS 31 0.006 -6.194 -3.144 243 2HB LYS 31 HB1 LYS 31 -0.509 -7.803 -2.697 244 1HG LYS 31 HG2 LYS 31 -2.462 -5.789 -3.811 245 2HG LYS 31 HG1 LYS 31 -1.498 -6.818 -4.869 246 1HD LYS 31 HD2 LYS 31 -3.403 -7.777 -2.708 247 2HD LYS 31 HD1 LYS 31 -3.685 -7.856 -4.446 248 1HE LYS 31 HE2 LYS 31 -1.163 -9.071 -4.040 249 2HE LYS 31 HE1 LYS 31 -2.226 -9.718 -2.769 250 1HZ LYS 31 HZ1 LYS 31 -3.909 -10.170 -4.441 251 2HZ LYS 31 HZ2 LYS 31 -2.465 -10.966 -4.849 252 3HZ LYS 31 HZ3 LYS 31 -2.913 -9.542 -5.661 253 H GLN 32 HN GLN 32 -0.161 -8.183 -0.417 254 HA GLN 32 HA GLN 32 -2.194 -10.118 -0.026 255 1HB GLN 32 HB2 GLN 32 0.489 -9.469 1.072 256 2HB GLN 32 HB1 GLN 32 -0.501 -10.594 2.004 257 1HG GLN 32 HG2 GLN 32 -0.341 -11.024 -0.941 258 2HG GLN 32 HG1 GLN 32 1.077 -11.443 0.021 259 1HE2 GLN 32 HE21 GLN 32 0.679 -13.762 -0.373 260 2HE2 GLN 32 HE22 GLN 32 -0.580 -14.575 0.441 261 H TYR 33 HN TYR 33 -1.121 -7.432 2.035 262 HA TYR 33 HA TYR 33 -2.832 -7.991 4.304 263 1HB TYR 33 HB2 TYR 33 -0.874 -6.526 4.418 264 2HB TYR 33 HB1 TYR 33 -1.564 -5.452 3.202 265 HD1 TYR 33 HD1 TYR 33 -2.053 -6.815 6.611 266 HD2 TYR 33 HD2 TYR 33 -3.108 -3.748 3.803 267 HE1 TYR 33 HE1 TYR 33 -3.248 -5.601 8.397 268 HE2 TYR 33 HE2 TYR 33 -4.301 -2.520 5.594 269 HH TYR 33 HH TYR 33 -5.455 -3.294 7.900 270 H ILE 34 HN ILE 34 -3.144 -5.983 1.388 271 HA ILE 34 HA ILE 34 -5.741 -4.878 1.918 272 HB ILE 34 HB ILE 34 -4.272 -5.569 -0.648 273 1HG1 ILE 34 HG12 ILE 34 -3.206 -4.011 1.123 274 2HG1 ILE 34 HG11 ILE 34 -3.279 -3.425 -0.536 275 1HG2 ILE 34 HG21 ILE 34 -6.213 -5.025 -1.665 276 2HG2 ILE 34 HG22 ILE 34 -5.853 -3.368 -1.184 277 3HG2 ILE 34 HG23 ILE 34 -6.905 -4.366 -0.182 278 1HD1 ILE 34 HD11 ILE 34 -4.145 -2.023 1.657 279 2HD1 ILE 34 HD12 ILE 34 -5.646 -2.769 1.107 280 3HD1 ILE 34 HD13 ILE 34 -4.716 -1.747 0.011 281 H ASN 35 HN ASN 35 -4.645 -7.975 0.652 282 HA ASN 35 HA ASN 35 -7.026 -8.933 -0.571 283 1HB ASN 35 HB2 ASN 35 -4.650 -9.881 -0.536 284 2HB ASN 35 HB1 ASN 35 -5.048 -10.559 1.043 285 1HD2 ASN 35 HD21 ASN 35 -6.179 -12.529 1.057 286 2HD2 ASN 35 HD22 ASN 35 -6.877 -13.242 -0.316 287 H ASP 36 HN ASP 36 -6.102 -8.676 2.815 288 HA ASP 36 HA ASP 36 -8.237 -10.403 3.822 289 1HB ASP 36 HB2 ASP 36 -6.043 -8.677 4.844 290 2HB ASP 36 HB1 ASP 36 -7.404 -8.919 5.939 291 H ASN 37 HN ASN 37 -7.655 -6.868 3.797 292 HA ASN 37 HA ASN 37 -10.182 -6.137 4.964 293 1HB ASN 37 HB2 ASN 37 -8.239 -4.672 3.146 294 2HB ASN 37 HB1 ASN 37 -9.553 -3.891 4.034 295 1HD2 ASN 37 HD21 ASN 37 -9.210 -3.426 6.250 296 2HD2 ASN 37 HD22 ASN 37 -7.794 -3.859 7.096 297 H GLY 38 HN GLY 38 -9.171 -6.856 1.669 298 1HA GLY 38 HA2 GLY 38 -10.551 -7.377 -0.184 299 2HA GLY 38 HA1 GLY 38 -11.964 -6.986 0.799 300 H ILE 39 HN ILE 39 -9.198 -4.842 0.338 301 HA ILE 39 HA ILE 39 -11.012 -2.946 -1.120 302 HB ILE 39 HB ILE 39 -8.673 -2.449 0.755 303 1HG1 ILE 39 HG12 ILE 39 -10.673 -3.312 1.917 304 2HG1 ILE 39 HG11 ILE 39 -10.412 -1.610 2.308 305 1HG2 ILE 39 HG21 ILE 39 -9.742 -0.070 0.661 306 2HG2 ILE 39 HG22 ILE 39 -10.452 -0.629 -0.853 307 3HG2 ILE 39 HG23 ILE 39 -8.699 -0.582 -0.666 308 1HD1 ILE 39 HD11 ILE 39 -12.410 -2.732 0.319 309 2HD1 ILE 39 HD12 ILE 39 -12.070 -1.013 0.510 310 3HD1 ILE 39 HD13 ILE 39 -12.773 -1.926 1.845 311 H ASP 40 HN ASP 40 -10.036 -4.395 -2.988 312 HA ASP 40 HA ASP 40 -7.361 -3.324 -3.820 313 1HB ASP 40 HB2 ASP 40 -7.623 -5.783 -3.508 314 2HB ASP 40 HB1 ASP 40 -8.913 -5.778 -4.715 315 H GLY 41 HN GLY 41 -8.075 -1.396 -4.856 316 1HA GLY 41 HA2 GLY 41 -9.805 -1.831 -7.260 317 2HA GLY 41 HA1 GLY 41 -9.936 -0.376 -6.268 318 H GLU 42 HN GLU 42 -8.213 1.176 -6.343 319 HA GLU 42 HA GLU 42 -6.256 0.781 -8.583 320 1HB GLU 42 HB2 GLU 42 -8.430 2.707 -8.189 321 2HB GLU 42 HB1 GLU 42 -6.884 3.504 -8.481 322 1HG GLU 42 HG2 GLU 42 -6.675 2.637 -10.610 323 2HG GLU 42 HG1 GLU 42 -7.603 1.186 -10.225 324 H TRP 43 HN TRP 43 -4.206 0.995 -7.814 325 HA TRP 43 HA TRP 43 -3.732 2.443 -5.252 326 1HB TRP 43 HB2 TRP 43 -2.090 0.583 -6.999 327 2HB TRP 43 HB1 TRP 43 -1.456 1.352 -5.556 328 HD1 TRP 43 HD1 TRP 43 -5.058 0.021 -5.569 329 HE1 TRP 43 HE1 TRP 43 -5.172 -2.014 -4.009 330 HE3 TRP 43 HE3 TRP 43 -0.112 -0.526 -4.490 331 HZ2 TRP 43 HZ2 TRP 43 -3.407 -3.636 -2.464 332 HZ3 TRP 43 HZ3 TRP 43 0.642 -2.316 -2.942 333 HH2 TRP 43 HH2 TRP 43 -0.992 -3.862 -1.934 334 H THR 44 HN THR 44 -1.770 3.867 -5.193 335 HA THR 44 HA THR 44 -0.852 4.971 -7.782 336 HB THR 44 HB THR 44 -1.491 7.258 -7.123 337 HG1 THR 44 HG1 THR 44 -1.630 7.343 -5.003 338 1HG2 THR 44 HG21 THR 44 -3.813 7.088 -7.601 339 2HG2 THR 44 HG22 THR 44 -3.930 5.500 -6.844 340 3HG2 THR 44 HG23 THR 44 -3.079 5.685 -8.377 341 H TYR 45 HN TYR 45 1.294 5.427 -7.596 342 HA TYR 45 HA TYR 45 2.572 5.222 -4.937 343 1HB TYR 45 HB2 TYR 45 3.408 3.985 -6.906 344 2HB TYR 45 HB1 TYR 45 3.656 5.506 -7.764 345 HD1 TYR 45 HD1 TYR 45 4.466 4.120 -4.363 346 HD2 TYR 45 HD2 TYR 45 5.856 6.240 -7.829 347 HE1 TYR 45 HE1 TYR 45 6.709 4.341 -3.328 348 HE2 TYR 45 HE2 TYR 45 8.098 6.464 -6.795 349 HH TYR 45 HH TYR 45 9.378 4.897 -4.829 350 H ASP 46 HN ASP 46 4.295 6.879 -4.390 351 HA ASP 46 HA ASP 46 3.815 9.583 -5.572 352 1HB ASP 46 HB2 ASP 46 3.858 8.951 -2.598 353 2HB ASP 46 HB1 ASP 46 3.570 10.526 -3.329 354 H ASP 47 HN ASP 47 5.748 10.587 -5.948 355 HA ASP 47 HA ASP 47 8.263 9.325 -5.188 356 1HB ASP 47 HB2 ASP 47 7.824 10.515 -7.326 357 2HB ASP 47 HB1 ASP 47 7.648 12.025 -6.431 358 H ALA 48 HN ALA 48 6.169 11.331 -3.446 359 HA ALA 48 HA ALA 48 7.840 13.238 -2.179 360 1HB ALA 48 HB1 ALA 48 5.334 11.720 -1.555 361 2HB ALA 48 HB2 ALA 48 5.577 13.462 -1.712 362 3HB ALA 48 HB3 ALA 48 6.089 12.630 -0.244 363 H THR 49 HN THR 49 6.739 10.284 -0.519 364 HA THR 49 HA THR 49 9.521 9.861 0.516 365 HB THR 49 HB THR 49 8.082 11.055 2.152 366 HG1 THR 49 HG1 THR 49 8.565 8.325 2.744 367 1HG2 THR 49 HG21 THR 49 6.070 9.946 3.038 368 2HG2 THR 49 HG22 THR 49 6.307 8.611 1.907 369 3HG2 THR 49 HG23 THR 49 5.913 10.220 1.301 370 H LYS 50 HN LYS 50 8.162 8.523 -1.672 371 HA LYS 50 HA LYS 50 7.721 6.360 -2.460 372 1HB LYS 50 HB2 LYS 50 9.110 5.633 0.142 373 2HB LYS 50 HB1 LYS 50 8.900 4.564 -1.244 374 1HG LYS 50 HG2 LYS 50 10.050 6.676 -2.480 375 2HG LYS 50 HG1 LYS 50 10.772 6.843 -0.880 376 1HD LYS 50 HD2 LYS 50 10.718 4.175 -2.282 377 2HD LYS 50 HD1 LYS 50 11.996 5.346 -2.608 378 1HE LYS 50 HE2 LYS 50 12.016 5.406 0.104 379 2HE LYS 50 HE1 LYS 50 11.508 3.727 -0.165 380 1HZ LYS 50 HZ1 LYS 50 13.827 5.065 -1.458 381 2HZ LYS 50 HZ2 LYS 50 13.324 3.467 -1.743 382 3HZ LYS 50 HZ3 LYS 50 13.923 3.914 -0.217 383 H THR 51 HN THR 51 5.496 7.467 -1.404 384 HA THR 51 HA THR 51 4.319 5.562 0.564 385 HB THR 51 HB THR 51 3.058 8.002 -0.715 386 HG1 THR 51 HG1 THR 51 3.955 9.154 1.041 387 1HG2 THR 51 HG21 THR 51 2.421 6.170 1.489 388 2HG2 THR 51 HG22 THR 51 1.373 7.283 0.612 389 3HG2 THR 51 HG23 THR 51 2.353 7.870 1.955 390 H TRP 52 HN TRP 52 1.880 5.049 -0.049 391 HA TRP 52 HA TRP 52 1.577 4.534 -2.975 392 1HB TRP 52 HB2 TRP 52 1.621 2.589 -0.672 393 2HB TRP 52 HB1 TRP 52 0.756 2.216 -2.157 394 HD1 TRP 52 HD1 TRP 52 4.232 2.479 -0.720 395 HE1 TRP 52 HE1 TRP 52 5.939 1.708 -2.498 396 HE3 TRP 52 HE3 TRP 52 1.158 2.119 -4.731 397 HZ2 TRP 52 HZ2 TRP 52 5.972 1.021 -5.286 398 HZ3 TRP 52 HZ3 TRP 52 2.026 1.402 -6.950 399 HH2 TRP 52 HH2 TRP 52 4.431 0.851 -7.227 400 H THR 53 HN THR 53 -0.750 3.204 -3.022 401 HA THR 53 HA THR 53 -2.711 4.311 -1.130 402 HB THR 53 HB THR 53 -2.953 5.003 -4.063 403 HG1 THR 53 HG1 THR 53 -1.138 6.062 -3.462 404 1HG2 THR 53 HG21 THR 53 -4.292 5.826 -1.502 405 2HG2 THR 53 HG22 THR 53 -5.025 5.297 -3.016 406 3HG2 THR 53 HG23 THR 53 -4.308 6.904 -2.897 407 H VAL 54 HN VAL 54 -5.004 3.605 -1.919 408 HA VAL 54 HA VAL 54 -5.241 1.410 -3.801 409 HB VAL 54 HB VAL 54 -3.940 0.243 -2.111 410 1HG1 VAL 54 HG11 VAL 54 -5.336 0.134 0.226 411 2HG1 VAL 54 HG12 VAL 54 -5.676 1.784 -0.291 412 3HG1 VAL 54 HG13 VAL 54 -4.010 1.252 -0.084 413 1HG2 VAL 54 HG21 VAL 54 -5.270 -1.617 -1.905 414 2HG2 VAL 54 HG22 VAL 54 -6.296 -0.705 -3.016 415 3HG2 VAL 54 HG23 VAL 54 -6.645 -0.697 -1.288 416 H THR 55 HN THR 55 -7.003 2.997 -4.260 417 HA THR 55 HA THR 55 -9.189 3.273 -2.309 418 HB THR 55 HB THR 55 -9.195 4.016 -5.239 419 HG1 THR 55 HG1 THR 55 -7.777 5.524 -4.867 420 1HG2 THR 55 HG21 THR 55 -10.723 5.692 -4.583 421 2HG2 THR 55 HG22 THR 55 -10.262 5.569 -2.885 422 3HG2 THR 55 HG23 THR 55 -11.206 4.283 -3.638 423 H GLU 56 HN GLU 56 -10.953 1.933 -2.216 424 HA GLU 56 HA GLU 56 -11.140 -0.514 -3.677 425 1HB GLU 56 HB2 GLU 56 -12.184 0.165 -1.451 426 2HB GLU 56 HB1 GLU 56 -13.408 1.027 -2.384 427 1HG GLU 56 HG2 GLU 56 -13.522 -1.334 -3.655 428 2HG GLU 56 HG1 GLU 56 -12.972 -1.906 -2.078 Start of MODEL 11 1 1H THR 1 HT1 THR 1 14.613 4.553 4.309 2 2H THR 1 HT2 THR 1 15.873 4.194 3.226 3 3H THR 1 HT3 THR 1 15.141 2.951 4.124 4 HA THR 1 HA THR 1 13.766 4.585 2.048 5 HB THR 1 HB THR 1 13.929 2.316 0.860 6 HG1 THR 1 HG1 THR 1 14.504 1.088 2.655 7 1HG2 THR 1 HG21 THR 1 16.628 3.534 1.433 8 2HG2 THR 1 HG22 THR 1 15.405 4.401 0.504 9 3HG2 THR 1 HG23 THR 1 16.029 2.859 -0.082 10 H THR 2 HN THR 2 12.043 4.792 3.742 11 HA THR 2 HA THR 2 10.667 2.243 4.454 12 HB THR 2 HB THR 2 9.963 5.040 5.350 13 HG1 THR 2 HG1 THR 2 11.667 5.095 6.582 14 1HG2 THR 2 HG21 THR 2 8.442 3.210 5.959 15 2HG2 THR 2 HG22 THR 2 9.269 3.826 7.389 16 3HG2 THR 2 HG23 THR 2 9.790 2.310 6.654 17 H PHE 3 HN PHE 3 9.085 1.614 3.049 18 HA PHE 3 HA PHE 3 7.874 3.472 1.135 19 1HB PHE 3 HB2 PHE 3 7.369 0.562 1.849 20 2HB PHE 3 HB1 PHE 3 6.693 1.382 0.440 21 HD1 PHE 3 HD1 PHE 3 8.726 2.928 -0.739 22 HD2 PHE 3 HD2 PHE 3 9.146 -0.845 1.279 23 HE1 PHE 3 HE1 PHE 3 10.814 2.485 -1.999 24 HE2 PHE 3 HE2 PHE 3 11.234 -1.284 0.018 25 HZ PHE 3 HZ PHE 3 12.069 0.381 -1.619 26 H LYS 4 HN LYS 4 5.482 3.730 0.988 27 HA LYS 4 HA LYS 4 4.038 3.403 3.591 28 1HB LYS 4 HB2 LYS 4 5.122 5.688 3.258 29 2HB LYS 4 HB1 LYS 4 4.035 5.913 1.897 30 1HG LYS 4 HG2 LYS 4 2.093 5.569 3.380 31 2HG LYS 4 HG1 LYS 4 3.182 5.371 4.752 32 1HD LYS 4 HD2 LYS 4 3.629 7.602 4.894 33 2HD LYS 4 HD1 LYS 4 3.613 7.819 3.144 34 1HE LYS 4 HE2 LYS 4 1.401 8.390 3.121 35 2HE LYS 4 HE1 LYS 4 0.977 7.143 4.312 36 1HZ LYS 4 HZ1 LYS 4 0.765 9.326 5.303 37 2HZ LYS 4 HZ2 LYS 4 2.364 9.712 4.879 38 3HZ LYS 4 HZ3 LYS 4 2.055 8.496 6.025 39 H LEU 5 HN LEU 5 1.727 3.341 3.344 40 HA LEU 5 HA LEU 5 0.548 3.491 0.641 41 1HB LEU 5 HB2 LEU 5 1.611 1.121 1.306 42 2HB LEU 5 HB1 LEU 5 0.085 0.952 2.161 43 HG LEU 5 HG LEU 5 -0.306 2.023 -0.531 44 1HD1 LEU 5 HD11 LEU 5 0.583 -0.852 -0.487 45 2HD1 LEU 5 HD12 LEU 5 1.776 0.435 -0.703 46 3HD1 LEU 5 HD13 LEU 5 0.453 0.255 -1.863 47 1HD2 LEU 5 HD21 LEU 5 -1.312 -0.425 0.950 48 2HD2 LEU 5 HD22 LEU 5 -1.940 0.138 -0.599 49 3HD2 LEU 5 HD23 LEU 5 -2.117 1.140 0.841 50 H ILE 6 HN ILE 6 -1.541 4.233 0.840 51 HA ILE 6 HA ILE 6 -2.695 4.385 3.592 52 HB ILE 6 HB ILE 6 -3.173 5.903 1.014 53 1HG1 ILE 6 HG12 ILE 6 -1.002 6.330 2.127 54 2HG1 ILE 6 HG11 ILE 6 -2.050 7.746 2.194 55 1HG2 ILE 6 HG21 ILE 6 -4.795 5.709 3.418 56 2HG2 ILE 6 HG22 ILE 6 -5.140 6.552 1.908 57 3HG2 ILE 6 HG23 ILE 6 -4.223 7.360 3.179 58 1HD1 ILE 6 HD11 ILE 6 -1.097 7.481 4.385 59 2HD1 ILE 6 HD12 ILE 6 -1.486 5.762 4.408 60 3HD1 ILE 6 HD13 ILE 6 -2.778 6.958 4.497 61 H ILE 7 HN ILE 7 -4.707 3.494 4.023 62 HA ILE 7 HA ILE 7 -5.819 1.614 2.031 63 HB ILE 7 HB ILE 7 -6.561 2.266 4.907 64 1HG1 ILE 7 HG12 ILE 7 -4.954 -0.071 3.833 65 2HG1 ILE 7 HG11 ILE 7 -4.217 1.384 4.506 66 1HG2 ILE 7 HG21 ILE 7 -7.226 -0.180 3.243 67 2HG2 ILE 7 HG22 ILE 7 -8.346 1.153 3.524 68 3HG2 ILE 7 HG23 ILE 7 -7.784 0.174 4.879 69 1HD1 ILE 7 HD11 ILE 7 -4.312 0.048 6.402 70 2HD1 ILE 7 HD12 ILE 7 -5.798 -0.753 5.889 71 3HD1 ILE 7 HD13 ILE 7 -5.856 0.891 6.526 72 H ASN 8 HN ASN 8 -7.284 2.444 0.593 73 HA ASN 8 HA ASN 8 -9.081 4.666 1.490 74 1HB ASN 8 HB2 ASN 8 -7.943 3.745 -1.152 75 2HB ASN 8 HB1 ASN 8 -9.325 4.841 -1.093 76 1HD2 ASN 8 HD21 ASN 8 -7.953 6.574 -2.024 77 2HD2 ASN 8 HD22 ASN 8 -6.813 7.383 -1.046 78 H GLY 9 HN GLY 9 -9.914 2.263 2.439 79 1HA GLY 9 HA2 GLY 9 -11.743 0.997 0.501 80 2HA GLY 9 HA1 GLY 9 -11.483 0.479 2.171 81 H LYS 10 HN LYS 10 -14.023 1.061 0.704 82 HA LYS 10 HA LYS 10 -15.229 3.495 1.446 83 1HB LYS 10 HB2 LYS 10 -16.382 0.700 1.212 84 2HB LYS 10 HB1 LYS 10 -17.336 2.184 1.188 85 1HG LYS 10 HG2 LYS 10 -15.812 2.922 -0.755 86 2HG LYS 10 HG1 LYS 10 -15.309 1.234 -0.839 87 1HD LYS 10 HD2 LYS 10 -17.527 0.494 -1.319 88 2HD LYS 10 HD1 LYS 10 -18.218 2.059 -0.889 89 1HE LYS 10 HE2 LYS 10 -17.638 3.021 -2.905 90 2HE LYS 10 HE1 LYS 10 -16.170 2.036 -3.067 91 1HZ LYS 10 HZ1 LYS 10 -18.970 1.077 -3.353 92 2HZ LYS 10 HZ2 LYS 10 -17.592 0.084 -3.401 93 3HZ LYS 10 HZ3 LYS 10 -17.842 1.254 -4.607 94 H THR 11 HN THR 11 -14.705 0.559 3.347 95 HA THR 11 HA THR 11 -15.991 1.898 5.706 96 HB THR 11 HB THR 11 -15.477 -1.055 5.267 97 HG1 THR 11 HG1 THR 11 -16.814 -0.421 3.627 98 1HG2 THR 11 HG21 THR 11 -15.946 -0.244 7.582 99 2HG2 THR 11 HG22 THR 11 -17.197 -1.325 6.968 100 3HG2 THR 11 HG23 THR 11 -17.476 0.416 7.005 101 H LEU 12 HN LEU 12 -13.135 0.197 4.512 102 HA LEU 12 HA LEU 12 -11.815 0.479 7.180 103 1HB LEU 12 HB2 LEU 12 -11.197 -1.105 4.667 104 2HB LEU 12 HB1 LEU 12 -10.169 -1.101 6.101 105 HG LEU 12 HG LEU 12 -13.076 -1.672 6.480 106 1HD1 LEU 12 HD11 LEU 12 -12.835 -3.992 5.871 107 2HD1 LEU 12 HD12 LEU 12 -11.113 -3.785 5.550 108 3HD1 LEU 12 HD13 LEU 12 -12.305 -3.033 4.489 109 1HD2 LEU 12 HD21 LEU 12 -10.446 -2.508 7.715 110 2HD2 LEU 12 HD22 LEU 12 -11.955 -3.334 8.105 111 3HD2 LEU 12 HD23 LEU 12 -11.771 -1.617 8.466 112 H LYS 13 HN LYS 13 -9.955 1.743 7.395 113 HA LYS 13 HA LYS 13 -8.668 2.936 5.012 114 1HB LYS 13 HB2 LYS 13 -10.512 4.318 6.917 115 2HB LYS 13 HB1 LYS 13 -9.102 5.217 6.356 116 1HG LYS 13 HG2 LYS 13 -9.777 4.553 3.989 117 2HG LYS 13 HG1 LYS 13 -11.302 3.994 4.678 118 1HD LYS 13 HD2 LYS 13 -12.003 6.134 5.221 119 2HD LYS 13 HD1 LYS 13 -10.356 6.745 5.379 120 1HE LYS 13 HE2 LYS 13 -10.115 6.469 2.862 121 2HE LYS 13 HE1 LYS 13 -11.862 6.160 2.812 122 1HZ LYS 13 HZ1 LYS 13 -11.254 8.548 2.553 123 2HZ LYS 13 HZ2 LYS 13 -10.639 8.520 4.136 124 3HZ LYS 13 HZ3 LYS 13 -12.291 8.240 3.859 125 H GLY 14 HN GLY 14 -6.872 4.533 5.883 126 1HA GLY 14 HA2 GLY 14 -5.659 4.942 8.153 127 2HA GLY 14 HA1 GLY 14 -5.550 3.183 8.186 128 H GLU 15 HN GLU 15 -3.155 3.905 8.267 129 HA GLU 15 HA GLU 15 -2.112 4.017 5.457 130 1HB GLU 15 HB2 GLU 15 -0.329 5.510 6.351 131 2HB GLU 15 HB1 GLU 15 -1.934 6.209 6.560 132 1HG GLU 15 HG2 GLU 15 -1.982 5.420 8.897 133 2HG GLU 15 HG1 GLU 15 -0.382 4.706 8.691 134 H THR 16 HN THR 16 0.137 3.124 5.299 135 HA THR 16 HA THR 16 1.112 1.469 7.536 136 HB THR 16 HB THR 16 -0.701 0.114 6.576 137 HG1 THR 16 HG1 THR 16 0.676 -1.384 7.043 138 1HG2 THR 16 HG21 THR 16 -0.366 -0.715 4.184 139 2HG2 THR 16 HG22 THR 16 0.797 0.598 3.989 140 3HG2 THR 16 HG23 THR 16 -0.892 0.959 4.353 141 H THR 17 HN THR 17 3.292 0.883 7.247 142 HA THR 17 HA THR 17 4.570 1.598 4.632 143 HB THR 17 HB THR 17 6.426 2.563 6.080 144 HG1 THR 17 HG1 THR 17 6.037 2.843 8.192 145 1HG2 THR 17 HG21 THR 17 5.312 4.353 5.233 146 2HG2 THR 17 HG22 THR 17 4.660 4.502 6.865 147 3HG2 THR 17 HG23 THR 17 3.731 3.672 5.618 148 H THR 18 HN THR 18 6.619 0.462 4.284 149 HA THR 18 HA THR 18 7.222 -1.751 6.163 150 HB THR 18 HB THR 18 5.850 -1.881 3.565 151 HG1 THR 18 HG1 THR 18 5.619 -4.098 4.423 152 1HG2 THR 18 HG21 THR 18 7.058 -3.797 2.636 153 2HG2 THR 18 HG22 THR 18 8.270 -3.683 3.913 154 3HG2 THR 18 HG23 THR 18 8.116 -2.388 2.724 155 H GLU 19 HN GLU 19 9.380 -2.707 5.663 156 HA GLU 19 HA GLU 19 11.188 -0.758 4.266 157 1HB GLU 19 HB2 GLU 19 11.329 -0.957 6.786 158 2HB GLU 19 HB1 GLU 19 11.808 -2.640 6.566 159 1HG GLU 19 HG2 GLU 19 13.324 -0.667 4.953 160 2HG GLU 19 HG1 GLU 19 13.584 -0.582 6.696 161 H ALA 20 HN ALA 20 12.056 -1.648 2.429 162 HA ALA 20 HA ALA 20 12.967 -4.459 2.421 163 1HB ALA 20 HB1 ALA 20 10.772 -4.942 1.812 164 2HB ALA 20 HB2 ALA 20 11.489 -4.656 0.226 165 3HB ALA 20 HB3 ALA 20 10.547 -3.386 1.011 166 H VAL 21 HN VAL 21 13.747 -4.953 0.030 167 HA VAL 21 HA VAL 21 15.849 -3.163 -0.657 168 HB VAL 21 HB VAL 21 15.724 -5.562 -1.240 169 1HG1 VAL 21 HG11 VAL 21 13.208 -5.377 -1.828 170 2HG1 VAL 21 HG12 VAL 21 14.203 -6.454 -2.808 171 3HG1 VAL 21 HG13 VAL 21 13.768 -4.858 -3.418 172 1HG2 VAL 21 HG21 VAL 21 15.841 -3.825 -3.717 173 2HG2 VAL 21 HG22 VAL 21 16.601 -5.403 -3.509 174 3HG2 VAL 21 HG23 VAL 21 17.166 -4.022 -2.570 175 H ASP 22 HN ASP 22 12.565 -3.491 -1.953 176 HA ASP 22 HA ASP 22 12.725 -0.769 -3.100 177 1HB ASP 22 HB2 ASP 22 13.735 -2.339 -4.741 178 2HB ASP 22 HB1 ASP 22 12.253 -3.293 -4.718 179 H ALA 23 HN ALA 23 10.553 -0.039 -3.791 180 HA ALA 23 HA ALA 23 8.435 -0.838 -2.046 181 1HB ALA 23 HB1 ALA 23 7.253 0.395 -4.241 182 2HB ALA 23 HB2 ALA 23 8.914 0.981 -4.301 183 3HB ALA 23 HB3 ALA 23 7.942 1.232 -2.851 184 H ALA 24 HN ALA 24 9.430 -2.031 -5.195 185 HA ALA 24 HA ALA 24 7.023 -3.322 -6.034 186 1HB ALA 24 HB1 ALA 24 9.805 -4.438 -6.416 187 2HB ALA 24 HB2 ALA 24 9.321 -2.934 -7.200 188 3HB ALA 24 HB3 ALA 24 8.461 -4.431 -7.558 189 H THR 25 HN THR 25 9.750 -4.527 -4.067 190 HA THR 25 HA THR 25 8.616 -7.136 -3.561 191 HB THR 25 HB THR 25 10.735 -5.419 -2.229 192 HG1 THR 25 HG1 THR 25 11.789 -6.150 -3.866 193 1HG2 THR 25 HG21 THR 25 11.463 -7.417 -1.014 194 2HG2 THR 25 HG22 THR 25 10.141 -8.350 -1.717 195 3HG2 THR 25 HG23 THR 25 9.791 -7.037 -0.588 196 H ALA 26 HN ALA 26 8.808 -4.156 -1.560 197 HA ALA 26 HA ALA 26 7.369 -5.140 0.683 198 1HB ALA 26 HB1 ALA 26 6.880 -2.626 0.985 199 2HB ALA 26 HB2 ALA 26 7.731 -2.396 -0.547 200 3HB ALA 26 HB3 ALA 26 8.581 -3.082 0.837 201 H GLU 27 HN GLU 27 6.140 -3.095 -1.987 202 HA GLU 27 HA GLU 27 3.455 -2.926 -1.435 203 1HB GLU 27 HB2 GLU 27 4.677 -1.984 -3.387 204 2HB GLU 27 HB1 GLU 27 4.703 -3.586 -4.124 205 1HG GLU 27 HG2 GLU 27 2.111 -3.508 -3.787 206 2HG GLU 27 HG1 GLU 27 2.356 -1.766 -3.650 207 H LYS 28 HN LYS 28 5.074 -5.842 -2.699 208 HA LYS 28 HA LYS 28 2.691 -7.359 -3.287 209 1HB LYS 28 HB2 LYS 28 5.463 -8.213 -2.354 210 2HB LYS 28 HB1 LYS 28 4.274 -9.282 -3.099 211 1HG LYS 28 HG2 LYS 28 4.502 -8.300 -5.195 212 2HG LYS 28 HG1 LYS 28 5.066 -6.767 -4.529 213 1HD LYS 28 HD2 LYS 28 7.095 -7.579 -5.256 214 2HD LYS 28 HD1 LYS 28 7.063 -8.348 -3.669 215 1HE LYS 28 HE2 LYS 28 7.451 -10.238 -4.944 216 2HE LYS 28 HE1 LYS 28 5.682 -10.200 -5.095 217 1HZ LYS 28 HZ1 LYS 28 7.547 -8.781 -6.922 218 2HZ LYS 28 HZ2 LYS 28 5.861 -8.913 -7.087 219 3HZ LYS 28 HZ3 LYS 28 6.845 -10.286 -7.267 220 H VAL 29 HN VAL 29 4.735 -7.053 -0.392 221 HA VAL 29 HA VAL 29 3.166 -8.810 1.301 222 HB VAL 29 HB VAL 29 5.215 -6.605 1.698 223 1HG1 VAL 29 HG11 VAL 29 3.985 -8.317 3.885 224 2HG1 VAL 29 HG12 VAL 29 3.703 -6.586 3.673 225 3HG1 VAL 29 HG13 VAL 29 5.316 -7.176 4.087 226 1HG2 VAL 29 HG21 VAL 29 6.389 -8.745 2.689 227 2HG2 VAL 29 HG22 VAL 29 6.305 -8.519 0.942 228 3HG2 VAL 29 HG23 VAL 29 5.172 -9.605 1.747 229 H LEU 30 HN LEU 30 3.141 -5.312 0.601 230 HA LEU 30 HA LEU 30 1.226 -4.596 2.608 231 1HB LEU 30 HB2 LEU 30 2.152 -3.437 -0.029 232 2HB LEU 30 HB1 LEU 30 0.909 -2.631 0.914 233 HG LEU 30 HG LEU 30 3.430 -1.939 1.202 234 1HD1 LEU 30 HD11 LEU 30 1.738 -0.932 2.548 235 2HD1 LEU 30 HD12 LEU 30 3.019 -1.474 3.640 236 3HD1 LEU 30 HD13 LEU 30 1.524 -2.409 3.493 237 1HD2 LEU 30 HD21 LEU 30 4.432 -3.115 3.197 238 2HD2 LEU 30 HD22 LEU 30 4.478 -4.007 1.691 239 3HD2 LEU 30 HD23 LEU 30 3.291 -4.418 2.926 240 H LYS 31 HN LYS 31 0.972 -5.883 -0.658 241 HA LYS 31 HA LYS 31 -1.856 -5.502 -1.092 242 1HB LYS 31 HB2 LYS 31 0.185 -6.380 -2.592 243 2HB LYS 31 HB1 LYS 31 -0.336 -7.936 -1.993 244 1HG LYS 31 HG2 LYS 31 -2.295 -5.992 -3.217 245 2HG LYS 31 HG1 LYS 31 -1.384 -7.130 -4.208 246 1HD LYS 31 HD2 LYS 31 -3.230 -7.854 -1.909 247 2HD LYS 31 HD1 LYS 31 -3.572 -8.083 -3.622 248 1HE LYS 31 HE2 LYS 31 -1.058 -9.305 -3.190 249 2HE LYS 31 HE1 LYS 31 -2.087 -9.816 -1.833 250 1HZ LYS 31 HZ1 LYS 31 -3.845 -10.345 -3.429 251 2HZ LYS 31 HZ2 LYS 31 -2.444 -11.252 -3.747 252 3HZ LYS 31 HZ3 LYS 31 -2.828 -9.911 -4.716 253 H GLN 32 HN GLN 32 0.096 -8.116 0.303 254 HA GLN 32 HA GLN 32 -1.932 -9.992 0.928 255 1HB GLN 32 HB2 GLN 32 0.780 -9.262 1.897 256 2HB GLN 32 HB1 GLN 32 -0.187 -10.302 2.943 257 1HG GLN 32 HG2 GLN 32 -0.319 -12.013 1.352 258 2HG GLN 32 HG1 GLN 32 0.035 -10.921 0.013 259 1HE2 GLN 32 HE21 GLN 32 1.943 -11.933 -0.789 260 2HE2 GLN 32 HE22 GLN 32 3.366 -12.104 0.137 261 H TYR 33 HN TYR 33 -0.777 -7.148 2.725 262 HA TYR 33 HA TYR 33 -2.408 -7.485 5.086 263 1HB TYR 33 HB2 TYR 33 -0.463 -5.995 4.958 264 2HB TYR 33 HB1 TYR 33 -1.239 -5.045 3.690 265 HD1 TYR 33 HD1 TYR 33 -1.507 -6.096 7.233 266 HD2 TYR 33 HD2 TYR 33 -2.797 -3.327 4.222 267 HE1 TYR 33 HE1 TYR 33 -2.629 -4.745 8.966 268 HE2 TYR 33 HE2 TYR 33 -3.918 -1.962 5.958 269 HH TYR 33 HH TYR 33 -4.651 -3.045 8.959 270 H ILE 34 HN ILE 34 -2.877 -5.822 1.986 271 HA ILE 34 HA ILE 34 -5.467 -4.685 2.539 272 HB ILE 34 HB ILE 34 -4.091 -5.551 -0.025 273 1HG1 ILE 34 HG12 ILE 34 -2.966 -3.863 1.595 274 2HG1 ILE 34 HG11 ILE 34 -3.091 -3.417 -0.101 275 1HG2 ILE 34 HG21 ILE 34 -6.400 -3.626 0.363 276 2HG2 ILE 34 HG22 ILE 34 -6.505 -5.226 -0.371 277 3HG2 ILE 34 HG23 ILE 34 -5.580 -3.952 -1.164 278 1HD1 ILE 34 HD11 ILE 34 -5.409 -2.621 1.546 279 2HD1 ILE 34 HD12 ILE 34 -4.508 -1.696 0.345 280 3HD1 ILE 34 HD13 ILE 34 -3.893 -1.836 1.992 281 H ASN 35 HN ASN 35 -4.363 -7.848 1.449 282 HA ASN 35 HA ASN 35 -6.779 -8.922 0.399 283 1HB ASN 35 HB2 ASN 35 -4.413 -9.852 0.362 284 2HB ASN 35 HB1 ASN 35 -4.675 -10.375 2.026 285 1HD2 ASN 35 HD21 ASN 35 -5.539 -11.004 -1.333 286 2HD2 ASN 35 HD22 ASN 35 -6.412 -12.429 -1.035 287 H ASP 36 HN ASP 36 -5.722 -8.413 3.716 288 HA ASP 36 HA ASP 36 -7.765 -10.106 4.938 289 1HB ASP 36 HB2 ASP 36 -5.445 -9.327 5.807 290 2HB ASP 36 HB1 ASP 36 -6.268 -7.827 6.235 291 H ASN 37 HN ASN 37 -7.296 -6.557 4.712 292 HA ASN 37 HA ASN 37 -9.807 -5.822 5.876 293 1HB ASN 37 HB2 ASN 37 -7.976 -4.452 3.877 294 2HB ASN 37 HB1 ASN 37 -9.300 -3.642 4.722 295 1HD2 ASN 37 HD21 ASN 37 -6.229 -3.348 4.927 296 2HD2 ASN 37 HD22 ASN 37 -5.921 -3.488 6.599 297 H GLY 38 HN GLY 38 -8.900 -6.767 2.608 298 1HA GLY 38 HA2 GLY 38 -10.357 -7.522 0.890 299 2HA GLY 38 HA1 GLY 38 -11.733 -7.020 1.874 300 H ILE 39 HN ILE 39 -9.008 -4.917 1.127 301 HA ILE 39 HA ILE 39 -10.867 -3.211 -0.498 302 HB ILE 39 HB ILE 39 -8.480 -2.498 1.243 303 1HG1 ILE 39 HG12 ILE 39 -10.441 -3.236 2.549 304 2HG1 ILE 39 HG11 ILE 39 -10.178 -1.501 2.744 305 1HG2 ILE 39 HG21 ILE 39 -8.506 -0.738 -0.250 306 2HG2 ILE 39 HG22 ILE 39 -9.719 -0.160 0.892 307 3HG2 ILE 39 HG23 ILE 39 -10.220 -0.931 -0.613 308 1HD1 ILE 39 HD11 ILE 39 -12.217 -2.826 0.925 309 2HD1 ILE 39 HD12 ILE 39 -11.897 -1.092 0.966 310 3HD1 ILE 39 HD13 ILE 39 -12.555 -1.900 2.388 311 H ASP 40 HN ASP 40 -9.989 -4.775 -2.268 312 HA ASP 40 HA ASP 40 -7.317 -3.841 -3.264 313 1HB ASP 40 HB2 ASP 40 -8.041 -6.339 -2.654 314 2HB ASP 40 HB1 ASP 40 -8.721 -6.283 -4.284 315 H GLY 41 HN GLY 41 -8.013 -2.037 -4.495 316 1HA GLY 41 HA2 GLY 41 -9.782 -2.704 -6.812 317 2HA GLY 41 HA1 GLY 41 -9.974 -1.186 -5.929 318 H GLU 42 HN GLU 42 -8.364 0.447 -6.167 319 HA GLU 42 HA GLU 42 -6.372 -0.035 -8.357 320 1HB GLU 42 HB2 GLU 42 -8.668 1.757 -8.165 321 2HB GLU 42 HB1 GLU 42 -7.182 2.657 -8.461 322 1HG GLU 42 HG2 GLU 42 -6.860 1.721 -10.532 323 2HG GLU 42 HG1 GLU 42 -7.590 0.183 -10.068 324 H TRP 43 HN TRP 43 -4.343 0.366 -7.621 325 HA TRP 43 HA TRP 43 -3.952 2.046 -5.191 326 1HB TRP 43 HB2 TRP 43 -2.200 0.165 -6.805 327 2HB TRP 43 HB1 TRP 43 -1.617 1.076 -5.423 328 HD1 TRP 43 HD1 TRP 43 -5.133 -0.441 -5.282 329 HE1 TRP 43 HE1 TRP 43 -5.118 -2.375 -3.595 330 HE3 TRP 43 HE3 TRP 43 -0.143 -0.691 -4.287 331 HZ2 TRP 43 HZ2 TRP 43 -3.248 -3.812 -1.996 332 HZ3 TRP 43 HZ3 TRP 43 0.725 -2.345 -2.652 333 HH2 TRP 43 HH2 TRP 43 -0.814 -3.899 -1.512 334 H THR 44 HN THR 44 -2.006 3.537 -5.282 335 HA THR 44 HA THR 44 -1.251 4.518 -7.972 336 HB THR 44 HB THR 44 -1.942 6.815 -7.409 337 HG1 THR 44 HG1 THR 44 -3.095 7.183 -5.528 338 1HG2 THR 44 HG21 THR 44 -3.529 5.114 -8.490 339 2HG2 THR 44 HG22 THR 44 -4.275 6.538 -7.763 340 3HG2 THR 44 HG23 THR 44 -4.299 4.996 -6.908 341 H TYR 45 HN TYR 45 0.881 5.053 -7.922 342 HA TYR 45 HA TYR 45 2.308 5.023 -5.335 343 1HB TYR 45 HB2 TYR 45 3.098 3.752 -7.296 344 2HB TYR 45 HB1 TYR 45 3.209 5.242 -8.232 345 HD1 TYR 45 HD1 TYR 45 5.348 6.111 -8.460 346 HD2 TYR 45 HD2 TYR 45 4.315 4.033 -4.847 347 HE1 TYR 45 HE1 TYR 45 7.635 6.498 -7.585 348 HE2 TYR 45 HE2 TYR 45 6.603 4.416 -3.972 349 HH TYR 45 HH TYR 45 9.127 5.059 -5.648 350 H ASP 46 HN ASP 46 3.991 6.781 -4.959 351 HA ASP 46 HA ASP 46 3.288 9.414 -6.189 352 1HB ASP 46 HB2 ASP 46 3.608 8.895 -3.210 353 2HB ASP 46 HB1 ASP 46 3.175 10.424 -3.967 354 H ASP 47 HN ASP 47 5.125 10.515 -6.739 355 HA ASP 47 HA ASP 47 7.758 9.400 -6.160 356 1HB ASP 47 HB2 ASP 47 7.084 10.497 -8.287 357 2HB ASP 47 HB1 ASP 47 6.900 12.024 -7.422 358 H ALA 48 HN ALA 48 5.711 11.339 -4.298 359 HA ALA 48 HA ALA 48 7.389 13.367 -3.232 360 1HB ALA 48 HB1 ALA 48 5.154 13.515 -2.611 361 2HB ALA 48 HB2 ALA 48 5.812 12.770 -1.154 362 3HB ALA 48 HB3 ALA 48 5.002 11.773 -2.366 363 H THR 49 HN THR 49 6.535 10.422 -1.418 364 HA THR 49 HA THR 49 9.399 10.127 -0.586 365 HB THR 49 HB THR 49 8.068 11.363 1.109 366 HG1 THR 49 HG1 THR 49 8.580 10.008 2.809 367 1HG2 THR 49 HG21 THR 49 6.194 10.156 2.241 368 2HG2 THR 49 HG22 THR 49 6.328 8.884 1.023 369 3HG2 THR 49 HG23 THR 49 5.851 10.514 0.547 370 H LYS 50 HN LYS 50 7.966 8.641 -2.598 371 HA LYS 50 HA LYS 50 7.533 6.431 -3.244 372 1HB LYS 50 HB2 LYS 50 9.043 5.855 -0.672 373 2HB LYS 50 HB1 LYS 50 8.802 4.724 -2.000 374 1HG LYS 50 HG2 LYS 50 10.742 5.499 -2.857 375 2HG LYS 50 HG1 LYS 50 9.866 6.976 -3.254 376 1HD LYS 50 HD2 LYS 50 11.447 7.971 -1.945 377 2HD LYS 50 HD1 LYS 50 10.422 7.418 -0.621 378 1HE LYS 50 HE2 LYS 50 11.794 5.220 -0.723 379 2HE LYS 50 HE1 LYS 50 12.962 6.161 -1.672 380 1HZ LYS 50 HZ1 LYS 50 11.849 7.036 0.940 381 2HZ LYS 50 HZ2 LYS 50 13.086 7.790 0.052 382 3HZ LYS 50 HZ3 LYS 50 13.353 6.271 0.764 383 H THR 51 HN THR 51 5.337 7.556 -2.152 384 HA THR 51 HA THR 51 4.293 5.748 -0.026 385 HB THR 51 HB THR 51 3.028 8.155 -1.378 386 HG1 THR 51 HG1 THR 51 4.507 8.069 1.034 387 1HG2 THR 51 HG21 THR 51 1.294 7.279 -0.165 388 2HG2 THR 51 HG22 THR 51 2.096 8.133 1.153 389 3HG2 THR 51 HG23 THR 51 2.363 6.404 0.931 390 H TRP 52 HN TRP 52 1.916 5.041 -0.441 391 HA TRP 52 HA TRP 52 1.424 4.413 -3.325 392 1HB TRP 52 HB2 TRP 52 1.647 2.588 -0.934 393 2HB TRP 52 HB1 TRP 52 0.759 2.110 -2.375 394 HD1 TRP 52 HD1 TRP 52 4.265 2.639 -1.068 395 HE1 TRP 52 HE1 TRP 52 5.952 1.846 -2.857 396 HE3 TRP 52 HE3 TRP 52 1.080 1.849 -4.922 397 HZ2 TRP 52 HZ2 TRP 52 5.924 0.978 -5.599 398 HZ3 TRP 52 HZ3 TRP 52 1.906 1.035 -7.124 399 HH2 TRP 52 HH2 TRP 52 4.326 0.598 -7.462 400 H THR 53 HN THR 53 -0.860 3.014 -3.170 401 HA THR 53 HA THR 53 -2.743 4.155 -1.215 402 HB THR 53 HB THR 53 -3.184 4.695 -4.156 403 HG1 THR 53 HG1 THR 53 -2.408 6.830 -3.627 404 1HG2 THR 53 HG21 THR 53 -5.193 5.106 -3.111 405 2HG2 THR 53 HG22 THR 53 -4.427 6.675 -2.865 406 3HG2 THR 53 HG23 THR 53 -4.432 5.483 -1.565 407 H VAL 54 HN VAL 54 -5.068 3.364 -1.862 408 HA VAL 54 HA VAL 54 -5.321 1.059 -3.609 409 HB VAL 54 HB VAL 54 -3.955 0.024 -1.886 410 1HG1 VAL 54 HG11 VAL 54 -5.569 1.717 -0.137 411 2HG1 VAL 54 HG12 VAL 54 -3.975 1.021 0.129 412 3HG1 VAL 54 HG13 VAL 54 -5.417 0.071 0.474 413 1HG2 VAL 54 HG21 VAL 54 -6.643 -0.900 -0.972 414 2HG2 VAL 54 HG22 VAL 54 -5.250 -1.845 -1.505 415 3HG2 VAL 54 HG23 VAL 54 -6.281 -1.039 -2.694 416 H THR 55 HN THR 55 -7.214 2.235 -4.249 417 HA THR 55 HA THR 55 -9.311 2.814 -2.243 418 HB THR 55 HB THR 55 -9.501 3.095 -5.243 419 HG1 THR 55 HG1 THR 55 -8.190 4.831 -3.422 420 1HG2 THR 55 HG21 THR 55 -11.458 3.589 -3.754 421 2HG2 THR 55 HG22 THR 55 -10.907 4.987 -4.677 422 3HG2 THR 55 HG23 THR 55 -10.489 4.837 -2.970 423 H GLU 56 HN GLU 56 -11.245 1.664 -2.084 424 HA GLU 56 HA GLU 56 -11.313 -1.054 -3.158 425 1HB GLU 56 HB2 GLU 56 -12.110 -0.361 -0.899 426 2HB GLU 56 HB1 GLU 56 -13.384 0.591 -1.662 427 1HG GLU 56 HG2 GLU 56 -13.890 -1.719 -2.884 428 2HG GLU 56 HG1 GLU 56 -13.104 -2.378 -1.448 Start of MODEL 12 1 1H THR 1 HT1 THR 1 15.041 2.876 5.469 2 2H THR 1 HT2 THR 1 14.547 4.433 5.001 3 3H THR 1 HT3 THR 1 15.979 3.768 4.373 4 HA THR 1 HA THR 1 14.124 3.695 2.758 5 HB THR 1 HB THR 1 15.070 1.007 3.795 6 HG1 THR 1 HG1 THR 1 17.005 1.639 3.350 7 1HG2 THR 1 HG21 THR 1 14.372 2.091 1.058 8 2HG2 THR 1 HG22 THR 1 13.577 0.778 1.926 9 3HG2 THR 1 HG23 THR 1 15.215 0.562 1.308 10 H THR 2 HN THR 2 12.108 4.314 3.941 11 HA THR 2 HA THR 2 10.524 1.910 4.797 12 HB THR 2 HB THR 2 10.135 4.758 5.737 13 HG1 THR 2 HG1 THR 2 11.688 2.725 6.958 14 1HG2 THR 2 HG21 THR 2 8.267 3.436 6.301 15 2HG2 THR 2 HG22 THR 2 9.264 3.390 7.755 16 3HG2 THR 2 HG23 THR 2 9.262 2.021 6.643 17 H PHE 3 HN PHE 3 8.893 1.516 3.365 18 HA PHE 3 HA PHE 3 8.058 3.547 1.410 19 1HB PHE 3 HB2 PHE 3 7.221 0.688 2.000 20 2HB PHE 3 HB1 PHE 3 6.679 1.613 0.599 21 HD1 PHE 3 HD1 PHE 3 8.858 2.979 -0.492 22 HD2 PHE 3 HD2 PHE 3 8.910 -0.841 1.479 23 HE1 PHE 3 HE1 PHE 3 10.941 2.383 -1.697 24 HE2 PHE 3 HE2 PHE 3 10.993 -1.433 0.273 25 HZ PHE 3 HZ PHE 3 12.008 0.179 -1.315 26 H LYS 4 HN LYS 4 5.619 3.860 1.079 27 HA LYS 4 HA LYS 4 4.076 3.791 3.641 28 1HB LYS 4 HB2 LYS 4 5.236 5.963 3.421 29 2HB LYS 4 HB1 LYS 4 4.537 6.187 1.836 30 1HG LYS 4 HG2 LYS 4 3.223 7.451 3.433 31 2HG LYS 4 HG1 LYS 4 2.261 6.092 2.855 32 1HD LYS 4 HD2 LYS 4 2.852 4.803 4.866 33 2HD LYS 4 HD1 LYS 4 3.835 6.150 5.445 34 1HE LYS 4 HE2 LYS 4 1.864 7.590 5.583 35 2HE LYS 4 HE1 LYS 4 0.849 6.309 4.887 36 1HZ LYS 4 HZ1 LYS 4 0.856 6.383 7.374 37 2HZ LYS 4 HZ2 LYS 4 2.500 5.953 7.331 38 3HZ LYS 4 HZ3 LYS 4 1.324 4.891 6.716 39 H LEU 5 HN LEU 5 1.854 3.515 3.324 40 HA LEU 5 HA LEU 5 0.727 3.766 0.587 41 1HB LEU 5 HB2 LEU 5 1.724 1.388 1.265 42 2HB LEU 5 HB1 LEU 5 0.197 1.248 2.126 43 HG LEU 5 HG LEU 5 -0.173 2.308 -0.578 44 1HD1 LEU 5 HD11 LEU 5 1.865 0.666 -0.728 45 2HD1 LEU 5 HD12 LEU 5 0.540 0.508 -1.887 46 3HD1 LEU 5 HD13 LEU 5 0.640 -0.587 -0.499 47 1HD2 LEU 5 HD21 LEU 5 -1.264 0.003 1.052 48 2HD2 LEU 5 HD22 LEU 5 -1.787 0.325 -0.601 49 3HD2 LEU 5 HD23 LEU 5 -2.060 1.528 0.660 50 H ILE 6 HN ILE 6 -1.314 4.602 0.727 51 HA ILE 6 HA ILE 6 -2.598 4.742 3.421 52 HB ILE 6 HB ILE 6 -2.765 6.336 0.853 53 1HG1 ILE 6 HG12 ILE 6 -0.800 6.679 2.346 54 2HG1 ILE 6 HG11 ILE 6 -1.812 8.119 2.235 55 1HG2 ILE 6 HG21 ILE 6 -5.024 6.201 1.887 56 2HG2 ILE 6 HG22 ILE 6 -4.356 7.831 1.974 57 3HG2 ILE 6 HG23 ILE 6 -4.348 6.797 3.403 58 1HD1 ILE 6 HD11 ILE 6 -2.848 6.582 4.379 59 2HD1 ILE 6 HD12 ILE 6 -1.976 8.110 4.480 60 3HD1 ILE 6 HD13 ILE 6 -1.096 6.586 4.570 61 H ILE 7 HN ILE 7 -4.587 3.786 3.749 62 HA ILE 7 HA ILE 7 -5.656 2.012 1.651 63 HB ILE 7 HB ILE 7 -6.503 2.590 4.512 64 1HG1 ILE 7 HG12 ILE 7 -4.940 0.218 3.465 65 2HG1 ILE 7 HG11 ILE 7 -4.150 1.661 4.102 66 1HG2 ILE 7 HG21 ILE 7 -7.153 0.217 2.737 67 2HG2 ILE 7 HG22 ILE 7 -8.262 1.553 3.050 68 3HG2 ILE 7 HG23 ILE 7 -7.747 0.506 4.373 69 1HD1 ILE 7 HD11 ILE 7 -5.792 -0.391 5.535 70 2HD1 ILE 7 HD12 ILE 7 -5.820 1.270 6.128 71 3HD1 ILE 7 HD13 ILE 7 -4.293 0.392 6.036 72 H ASN 8 HN ASN 8 -7.212 2.707 0.255 73 HA ASN 8 HA ASN 8 -8.980 4.983 1.093 74 1HB ASN 8 HB2 ASN 8 -7.764 4.106 -1.532 75 2HB ASN 8 HB1 ASN 8 -9.129 5.223 -1.483 76 1HD2 ASN 8 HD21 ASN 8 -7.670 6.929 -2.357 77 2HD2 ASN 8 HD22 ASN 8 -6.560 7.707 -1.321 78 H GLY 9 HN GLY 9 -9.823 2.546 1.959 79 1HA GLY 9 HA2 GLY 9 -11.543 1.266 -0.053 80 2HA GLY 9 HA1 GLY 9 -11.398 0.790 1.643 81 H LYS 10 HN LYS 10 -13.840 1.293 0.023 82 HA LYS 10 HA LYS 10 -15.119 3.737 0.576 83 1HB LYS 10 HB2 LYS 10 -16.203 0.909 0.428 84 2HB LYS 10 HB1 LYS 10 -17.194 2.363 0.307 85 1HG LYS 10 HG2 LYS 10 -15.709 3.080 -1.627 86 2HG LYS 10 HG1 LYS 10 -15.010 1.461 -1.585 87 1HD LYS 10 HD2 LYS 10 -16.968 0.446 -2.308 88 2HD LYS 10 HD1 LYS 10 -17.992 1.732 -1.670 89 1HE LYS 10 HE2 LYS 10 -17.818 2.982 -3.579 90 2HE LYS 10 HE1 LYS 10 -16.105 2.573 -3.801 91 1HZ LYS 10 HZ1 LYS 10 -18.379 0.709 -4.243 92 2HZ LYS 10 HZ2 LYS 10 -16.734 0.359 -4.489 93 3HZ LYS 10 HZ3 LYS 10 -17.520 1.499 -5.474 94 H THR 11 HN THR 11 -14.630 0.924 2.653 95 HA THR 11 HA THR 11 -16.011 2.377 4.889 96 HB THR 11 HB THR 11 -15.581 -0.602 4.502 97 HG1 THR 11 HG1 THR 11 -17.820 1.051 3.961 98 1HG2 THR 11 HG21 THR 11 -15.919 0.129 6.835 99 2HG2 THR 11 HG22 THR 11 -17.307 -0.788 6.249 100 3HG2 THR 11 HG23 THR 11 -17.392 0.971 6.356 101 H LEU 12 HN LEU 12 -13.223 0.383 3.954 102 HA LEU 12 HA LEU 12 -11.975 0.746 6.626 103 1HB LEU 12 HB2 LEU 12 -11.241 -0.802 4.122 104 2HB LEU 12 HB1 LEU 12 -10.299 -0.834 5.613 105 HG LEU 12 HG LEU 12 -13.231 -1.397 5.788 106 1HD1 LEU 12 HD11 LEU 12 -11.903 -2.742 3.876 107 2HD1 LEU 12 HD12 LEU 12 -13.126 -3.511 4.888 108 3HD1 LEU 12 HD13 LEU 12 -11.415 -3.704 5.272 109 1HD2 LEU 12 HD21 LEU 12 -10.702 -2.032 7.265 110 2HD2 LEU 12 HD22 LEU 12 -12.056 -3.153 7.406 111 3HD2 LEU 12 HD23 LEU 12 -12.252 -1.469 7.892 112 H LYS 13 HN LYS 13 -9.945 1.813 6.867 113 HA LYS 13 HA LYS 13 -8.627 3.096 4.576 114 1HB LYS 13 HB2 LYS 13 -10.685 4.402 6.197 115 2HB LYS 13 HB1 LYS 13 -9.164 5.293 6.230 116 1HG LYS 13 HG2 LYS 13 -9.218 5.747 3.967 117 2HG LYS 13 HG1 LYS 13 -10.130 4.286 3.587 118 1HD LYS 13 HD2 LYS 13 -12.172 5.248 4.148 119 2HD LYS 13 HD1 LYS 13 -11.434 6.420 5.240 120 1HE LYS 13 HE2 LYS 13 -10.570 7.715 3.378 121 2HE LYS 13 HE1 LYS 13 -11.095 6.475 2.221 122 1HZ LYS 13 HZ1 LYS 13 -13.357 6.814 2.844 123 2HZ LYS 13 HZ2 LYS 13 -12.700 8.339 2.485 124 3HZ LYS 13 HZ3 LYS 13 -12.924 7.866 4.102 125 H GLY 14 HN GLY 14 -7.021 4.883 5.756 126 1HA GLY 14 HA2 GLY 14 -5.854 5.101 8.038 127 2HA GLY 14 HA1 GLY 14 -5.690 3.347 7.946 128 H GLU 15 HN GLU 15 -3.448 3.232 7.794 129 HA GLU 15 HA GLU 15 -2.271 3.855 5.182 130 1HB GLU 15 HB2 GLU 15 -0.593 5.416 6.133 131 2HB GLU 15 HB1 GLU 15 -2.229 6.031 6.350 132 1HG GLU 15 HG2 GLU 15 -2.019 4.677 8.653 133 2HG GLU 15 HG1 GLU 15 -0.306 5.004 8.387 134 H THR 16 HN THR 16 0.184 3.242 5.275 135 HA THR 16 HA THR 16 1.065 1.514 7.455 136 HB THR 16 HB THR 16 -0.666 0.110 6.419 137 HG1 THR 16 HG1 THR 16 0.973 -1.112 7.121 138 1HG2 THR 16 HG21 THR 16 0.909 0.677 3.899 139 2HG2 THR 16 HG22 THR 16 -0.809 0.946 4.195 140 3HG2 THR 16 HG23 THR 16 -0.191 -0.697 4.034 141 H THR 17 HN THR 17 3.255 0.929 7.222 142 HA THR 17 HA THR 17 4.633 1.766 4.693 143 HB THR 17 HB THR 17 6.420 2.682 6.187 144 HG1 THR 17 HG1 THR 17 6.049 1.546 8.043 145 1HG2 THR 17 HG21 THR 17 4.925 4.320 5.367 146 2HG2 THR 17 HG22 THR 17 4.965 4.602 7.107 147 3HG2 THR 17 HG23 THR 17 3.605 3.745 6.384 148 H THR 18 HN THR 18 6.692 0.616 4.364 149 HA THR 18 HA THR 18 7.204 -1.696 6.140 150 HB THR 18 HB THR 18 5.843 -1.698 3.535 151 HG1 THR 18 HG1 THR 18 5.135 -2.788 5.376 152 1HG2 THR 18 HG21 THR 18 8.235 -3.542 3.821 153 2HG2 THR 18 HG22 THR 18 8.079 -2.221 2.662 154 3HG2 THR 18 HG23 THR 18 7.007 -3.621 2.555 155 H GLU 19 HN GLU 19 9.341 -2.683 5.627 156 HA GLU 19 HA GLU 19 11.208 -0.744 4.297 157 1HB GLU 19 HB2 GLU 19 11.263 -1.073 6.842 158 2HB GLU 19 HB1 GLU 19 11.839 -2.709 6.515 159 1HG GLU 19 HG2 GLU 19 13.522 -1.322 4.920 160 2HG GLU 19 HG1 GLU 19 13.233 -0.106 6.166 161 H ALA 20 HN ALA 20 11.916 -1.631 2.388 162 HA ALA 20 HA ALA 20 12.812 -4.462 2.349 163 1HB ALA 20 HB1 ALA 20 11.349 -4.469 0.092 164 2HB ALA 20 HB2 ALA 20 10.410 -3.296 1.019 165 3HB ALA 20 HB3 ALA 20 10.661 -4.924 1.652 166 H VAL 21 HN VAL 21 13.620 -4.921 -0.034 167 HA VAL 21 HA VAL 21 15.773 -3.167 -0.641 168 HB VAL 21 HB VAL 21 15.934 -4.553 -2.695 169 1HG1 VAL 21 HG11 VAL 21 16.484 -5.385 -0.297 170 2HG1 VAL 21 HG12 VAL 21 16.366 -6.583 -1.586 171 3HG1 VAL 21 HG13 VAL 21 15.025 -6.361 -0.463 172 1HG2 VAL 21 HG21 VAL 21 13.113 -5.286 -1.899 173 2HG2 VAL 21 HG22 VAL 21 14.102 -6.408 -2.831 174 3HG2 VAL 21 HG23 VAL 21 13.728 -4.813 -3.482 175 H ASP 22 HN ASP 22 12.523 -3.403 -2.081 176 HA ASP 22 HA ASP 22 12.781 -0.634 -3.109 177 1HB ASP 22 HB2 ASP 22 12.197 -3.069 -4.833 178 2HB ASP 22 HB1 ASP 22 12.142 -1.397 -5.389 179 H ALA 23 HN ALA 23 10.647 0.228 -3.731 180 HA ALA 23 HA ALA 23 8.511 -0.537 -1.996 181 1HB ALA 23 HB1 ALA 23 9.005 1.293 -4.270 182 2HB ALA 23 HB2 ALA 23 8.216 1.613 -2.726 183 3HB ALA 23 HB3 ALA 23 7.315 0.850 -4.035 184 H ALA 24 HN ALA 24 9.398 -1.619 -5.221 185 HA ALA 24 HA ALA 24 6.921 -2.781 -6.052 186 1HB ALA 24 HB1 ALA 24 9.747 -3.773 -6.555 187 2HB ALA 24 HB2 ALA 24 9.025 -2.404 -7.399 188 3HB ALA 24 HB3 ALA 24 8.343 -4.018 -7.593 189 H THR 25 HN THR 25 9.651 -4.142 -4.198 190 HA THR 25 HA THR 25 8.489 -6.760 -3.828 191 HB THR 25 HB THR 25 10.640 -5.142 -2.421 192 HG1 THR 25 HG1 THR 25 11.673 -5.820 -4.093 193 1HG2 THR 25 HG21 THR 25 9.673 -6.813 -0.846 194 2HG2 THR 25 HG22 THR 25 11.336 -7.203 -1.296 195 3HG2 THR 25 HG23 THR 25 9.995 -8.082 -2.031 196 H ALA 26 HN ALA 26 8.699 -3.882 -1.687 197 HA ALA 26 HA ALA 26 7.257 -4.965 0.511 198 1HB ALA 26 HB1 ALA 26 6.780 -2.463 0.927 199 2HB ALA 26 HB2 ALA 26 7.636 -2.169 -0.592 200 3HB ALA 26 HB3 ALA 26 8.478 -2.922 0.762 201 H GLU 27 HN GLU 27 6.049 -2.811 -2.079 202 HA GLU 27 HA GLU 27 3.365 -2.629 -1.526 203 1HB GLU 27 HB2 GLU 27 4.602 -1.636 -3.441 204 2HB GLU 27 HB1 GLU 27 4.614 -3.212 -4.232 205 1HG GLU 27 HG2 GLU 27 2.000 -3.075 -3.835 206 2HG GLU 27 HG1 GLU 27 2.320 -1.342 -3.770 207 H LYS 28 HN LYS 28 4.948 -5.510 -2.912 208 HA LYS 28 HA LYS 28 2.547 -6.980 -3.538 209 1HB LYS 28 HB2 LYS 28 5.310 -7.919 -2.664 210 2HB LYS 28 HB1 LYS 28 4.110 -8.915 -3.485 211 1HG LYS 28 HG2 LYS 28 4.379 -7.811 -5.512 212 2HG LYS 28 HG1 LYS 28 4.947 -6.327 -4.748 213 1HD LYS 28 HD2 LYS 28 6.976 -7.107 -5.503 214 2HD LYS 28 HD1 LYS 28 6.923 -7.968 -3.964 215 1HE LYS 28 HE2 LYS 28 7.363 -9.742 -5.416 216 2HE LYS 28 HE1 LYS 28 5.589 -9.766 -5.435 217 1HZ LYS 28 HZ1 LYS 28 5.575 -8.358 -7.356 218 2HZ LYS 28 HZ2 LYS 28 6.582 -9.686 -7.687 219 3HZ LYS 28 HZ3 LYS 28 7.261 -8.176 -7.307 220 H VAL 29 HN VAL 29 4.619 -6.801 -0.657 221 HA VAL 29 HA VAL 29 3.063 -8.622 0.982 222 HB VAL 29 HB VAL 29 5.151 -6.462 1.406 223 1HG1 VAL 29 HG11 VAL 29 3.677 -6.415 3.404 224 2HG1 VAL 29 HG12 VAL 29 5.276 -7.058 3.787 225 3HG1 VAL 29 HG13 VAL 29 3.906 -8.155 3.599 226 1HG2 VAL 29 HG21 VAL 29 6.620 -8.259 1.775 227 2HG2 VAL 29 HG22 VAL 29 5.570 -8.858 0.491 228 3HG2 VAL 29 HG23 VAL 29 5.308 -9.374 2.157 229 H LEU 30 HN LEU 30 3.154 -5.060 0.591 230 HA LEU 30 HA LEU 30 1.228 -4.368 2.560 231 1HB LEU 30 HB2 LEU 30 2.144 -3.203 -0.071 232 2HB LEU 30 HB1 LEU 30 0.898 -2.396 0.869 233 HG LEU 30 HG LEU 30 3.381 -1.676 1.203 234 1HD1 LEU 30 HD11 LEU 30 1.691 -0.792 2.637 235 2HD1 LEU 30 HD12 LEU 30 3.003 -1.366 3.674 236 3HD1 LEU 30 HD13 LEU 30 1.529 -2.327 3.494 237 1HD2 LEU 30 HD21 LEU 30 4.460 -2.936 3.097 238 2HD2 LEU 30 HD22 LEU 30 4.482 -3.751 1.549 239 3HD2 LEU 30 HD23 LEU 30 3.339 -4.245 2.795 240 H LYS 31 HN LYS 31 0.889 -5.656 -0.695 241 HA LYS 31 HA LYS 31 -1.942 -5.228 -1.082 242 1HB LYS 31 HB2 LYS 31 0.055 -6.145 -2.616 243 2HB LYS 31 HB1 LYS 31 -0.464 -7.689 -1.987 244 1HG LYS 31 HG2 LYS 31 -2.435 -5.747 -3.196 245 2HG LYS 31 HG1 LYS 31 -1.552 -6.904 -4.191 246 1HD LYS 31 HD2 LYS 31 -3.369 -7.580 -1.855 247 2HD LYS 31 HD1 LYS 31 -3.729 -7.840 -3.560 248 1HE LYS 31 HE2 LYS 31 -1.225 -9.073 -3.148 249 2HE LYS 31 HE1 LYS 31 -2.219 -9.537 -1.747 250 1HZ LYS 31 HZ1 LYS 31 -3.182 -9.628 -4.560 251 2HZ LYS 31 HZ2 LYS 31 -3.973 -10.234 -3.183 252 3HZ LYS 31 HZ3 LYS 31 -2.551 -10.975 -3.745 253 H GLN 32 HN GLN 32 0.024 -7.802 0.338 254 HA GLN 32 HA GLN 32 -1.958 -9.701 1.013 255 1HB GLN 32 HB2 GLN 32 0.684 -9.517 1.262 256 2HB GLN 32 HB1 GLN 32 0.253 -9.072 2.911 257 1HG GLN 32 HG2 GLN 32 -1.124 -11.143 3.078 258 2HG GLN 32 HG1 GLN 32 -0.579 -11.602 1.464 259 1HE2 GLN 32 HE21 GLN 32 -0.022 -12.670 4.377 260 2HE2 GLN 32 HE22 GLN 32 1.674 -12.860 4.384 261 H TYR 33 HN TYR 33 -0.824 -6.823 2.778 262 HA TYR 33 HA TYR 33 -2.482 -7.103 5.123 263 1HB TYR 33 HB2 TYR 33 -0.532 -5.611 4.960 264 2HB TYR 33 HB1 TYR 33 -1.321 -4.684 3.683 265 HD1 TYR 33 HD1 TYR 33 -1.548 -5.677 7.244 266 HD2 TYR 33 HD2 TYR 33 -2.904 -2.982 4.194 267 HE1 TYR 33 HE1 TYR 33 -2.672 -4.308 8.964 268 HE2 TYR 33 HE2 TYR 33 -4.027 -1.600 5.917 269 HH TYR 33 HH TYR 33 -4.489 -2.685 9.131 270 H ILE 34 HN ILE 34 -2.913 -5.512 1.985 271 HA ILE 34 HA ILE 34 -5.541 -4.409 2.480 272 HB ILE 34 HB ILE 34 -4.095 -5.242 -0.057 273 1HG1 ILE 34 HG12 ILE 34 -2.990 -3.559 1.570 274 2HG1 ILE 34 HG11 ILE 34 -3.124 -3.091 -0.119 275 1HG2 ILE 34 HG21 ILE 34 -6.444 -3.367 0.326 276 2HG2 ILE 34 HG22 ILE 34 -6.483 -4.939 -0.472 277 3HG2 ILE 34 HG23 ILE 34 -5.575 -3.609 -1.190 278 1HD1 ILE 34 HD11 ILE 34 -4.823 -1.547 0.315 279 2HD1 ILE 34 HD12 ILE 34 -3.815 -1.390 1.754 280 3HD1 ILE 34 HD13 ILE 34 -5.300 -2.341 1.816 281 H ASN 35 HN ASN 35 -4.308 -7.535 1.440 282 HA ASN 35 HA ASN 35 -6.600 -8.714 0.275 283 1HB ASN 35 HB2 ASN 35 -4.159 -9.517 0.546 284 2HB ASN 35 HB1 ASN 35 -4.676 -10.138 2.113 285 1HD2 ASN 35 HD21 ASN 35 -6.088 -11.991 2.145 286 2HD2 ASN 35 HD22 ASN 35 -6.486 -12.856 0.740 287 H ASP 36 HN ASP 36 -5.855 -8.047 3.643 288 HA ASP 36 HA ASP 36 -7.917 -9.793 4.757 289 1HB ASP 36 HB2 ASP 36 -5.736 -8.948 5.818 290 2HB ASP 36 HB1 ASP 36 -6.566 -7.407 6.040 291 H ASN 37 HN ASN 37 -7.571 -6.225 4.579 292 HA ASN 37 HA ASN 37 -10.226 -5.599 5.432 293 1HB ASN 37 HB2 ASN 37 -8.166 -4.180 3.720 294 2HB ASN 37 HB1 ASN 37 -9.668 -3.407 4.239 295 1HD2 ASN 37 HD21 ASN 37 -6.751 -2.889 5.044 296 2HD2 ASN 37 HD22 ASN 37 -6.769 -2.969 6.748 297 H GLY 38 HN GLY 38 -8.912 -6.479 2.286 298 1HA GLY 38 HA2 GLY 38 -10.116 -7.276 0.404 299 2HA GLY 38 HA1 GLY 38 -11.620 -6.884 1.237 300 H ILE 39 HN ILE 39 -8.915 -4.661 0.693 301 HA ILE 39 HA ILE 39 -10.743 -3.004 -1.018 302 HB ILE 39 HB ILE 39 -8.495 -2.191 0.858 303 1HG1 ILE 39 HG12 ILE 39 -10.467 -3.048 2.071 304 2HG1 ILE 39 HG11 ILE 39 -10.320 -1.301 2.281 305 1HG2 ILE 39 HG21 ILE 39 -10.561 -0.422 -0.468 306 2HG2 ILE 39 HG22 ILE 39 -8.965 -0.705 -1.161 307 3HG2 ILE 39 HG23 ILE 39 -9.117 0.076 0.413 308 1HD1 ILE 39 HD11 ILE 39 -11.956 -1.031 0.364 309 2HD1 ILE 39 HD12 ILE 39 -12.639 -1.769 1.813 310 3HD1 ILE 39 HD13 ILE 39 -12.214 -2.774 0.427 311 H ASP 40 HN ASP 40 -9.742 -4.431 -2.788 312 HA ASP 40 HA ASP 40 -7.036 -3.405 -3.589 313 1HB ASP 40 HB2 ASP 40 -8.490 -6.006 -4.183 314 2HB ASP 40 HB1 ASP 40 -6.900 -5.577 -4.825 315 H GLY 41 HN GLY 41 -7.757 -1.619 -4.842 316 1HA GLY 41 HA2 GLY 41 -9.405 -2.341 -7.235 317 2HA GLY 41 HA1 GLY 41 -9.601 -0.798 -6.398 318 H GLU 42 HN GLU 42 -7.891 0.775 -6.559 319 HA GLU 42 HA GLU 42 -5.884 0.221 -8.720 320 1HB GLU 42 HB2 GLU 42 -8.090 2.148 -8.522 321 2HB GLU 42 HB1 GLU 42 -6.549 2.923 -8.889 322 1HG GLU 42 HG2 GLU 42 -6.373 1.922 -10.940 323 2HG GLU 42 HG1 GLU 42 -7.161 0.438 -10.400 324 H TRP 43 HN TRP 43 -3.864 0.501 -7.900 325 HA TRP 43 HA TRP 43 -3.464 2.224 -5.500 326 1HB TRP 43 HB2 TRP 43 -1.774 0.181 -6.978 327 2HB TRP 43 HB1 TRP 43 -1.181 1.110 -5.614 328 HD1 TRP 43 HD1 TRP 43 -4.779 -0.241 -5.606 329 HE1 TRP 43 HE1 TRP 43 -4.947 -2.071 -3.816 330 HE3 TRP 43 HE3 TRP 43 0.119 -0.600 -4.273 331 HZ2 TRP 43 HZ2 TRP 43 -3.241 -3.472 -2.013 332 HZ3 TRP 43 HZ3 TRP 43 0.822 -2.181 -2.490 333 HH2 TRP 43 HH2 TRP 43 -0.847 -3.612 -1.364 334 H THR 44 HN THR 44 -1.523 3.675 -5.547 335 HA THR 44 HA THR 44 -0.552 4.479 -8.231 336 HB THR 44 HB THR 44 -1.206 6.820 -7.834 337 HG1 THR 44 HG1 THR 44 -2.553 7.264 -6.051 338 1HG2 THR 44 HG21 THR 44 -3.525 6.587 -8.310 339 2HG2 THR 44 HG22 THR 44 -3.642 5.090 -7.385 340 3HG2 THR 44 HG23 THR 44 -2.777 5.112 -8.922 341 H TYR 45 HN TYR 45 1.588 4.962 -8.075 342 HA TYR 45 HA TYR 45 2.858 5.016 -5.411 343 1HB TYR 45 HB2 TYR 45 3.731 3.662 -7.286 344 2HB TYR 45 HB1 TYR 45 3.940 5.121 -8.252 345 HD1 TYR 45 HD1 TYR 45 6.140 5.843 -8.400 346 HD2 TYR 45 HD2 TYR 45 4.766 4.070 -4.739 347 HE1 TYR 45 HE1 TYR 45 8.376 6.197 -7.391 348 HE2 TYR 45 HE2 TYR 45 7.003 4.421 -3.728 349 HH TYR 45 HH TYR 45 9.508 4.672 -4.854 350 H ASP 46 HN ASP 46 4.499 6.766 -4.946 351 HA ASP 46 HA ASP 46 3.941 9.358 -6.335 352 1HB ASP 46 HB2 ASP 46 4.033 8.932 -3.326 353 2HB ASP 46 HB1 ASP 46 3.702 10.449 -4.156 354 H ASP 47 HN ASP 47 5.840 10.363 -6.842 355 HA ASP 47 HA ASP 47 8.404 9.261 -6.037 356 1HB ASP 47 HB2 ASP 47 9.253 11.165 -7.394 357 2HB ASP 47 HB1 ASP 47 7.974 10.285 -8.230 358 H ALA 48 HN ALA 48 6.263 11.358 -4.426 359 HA ALA 48 HA ALA 48 7.907 13.341 -3.258 360 1HB ALA 48 HB1 ALA 48 6.160 12.862 -1.303 361 2HB ALA 48 HB2 ALA 48 5.426 11.820 -2.526 362 3HB ALA 48 HB3 ALA 48 5.626 13.546 -2.838 363 H THR 49 HN THR 49 6.847 10.438 -1.479 364 HA THR 49 HA THR 49 9.618 10.135 -0.376 365 HB THR 49 HB THR 49 8.162 11.400 1.177 366 HG1 THR 49 HG1 THR 49 8.761 10.229 2.853 367 1HG2 THR 49 HG21 THR 49 5.983 10.634 0.441 368 2HG2 THR 49 HG22 THR 49 6.168 10.208 2.144 369 3HG2 THR 49 HG23 THR 49 6.368 8.974 0.898 370 H LYS 50 HN LYS 50 8.320 8.625 -2.492 371 HA LYS 50 HA LYS 50 7.908 6.401 -3.129 372 1HB LYS 50 HB2 LYS 50 9.297 5.895 -0.475 373 2HB LYS 50 HB1 LYS 50 9.118 4.723 -1.778 374 1HG LYS 50 HG2 LYS 50 10.815 5.624 -2.985 375 2HG LYS 50 HG1 LYS 50 10.294 7.276 -2.655 376 1HD LYS 50 HD2 LYS 50 12.470 6.923 -1.626 377 2HD LYS 50 HD1 LYS 50 11.257 7.067 -0.353 378 1HE LYS 50 HE2 LYS 50 11.185 4.375 -0.786 379 2HE LYS 50 HE1 LYS 50 12.891 4.720 -1.131 380 1HZ LYS 50 HZ1 LYS 50 11.376 5.553 1.287 381 2HZ LYS 50 HZ2 LYS 50 12.968 6.030 0.933 382 3HZ LYS 50 HZ3 LYS 50 12.613 4.395 1.228 383 H THR 51 HN THR 51 5.678 7.587 -2.085 384 HA THR 51 HA THR 51 4.548 5.830 0.023 385 HB THR 51 HB THR 51 2.969 7.936 -1.404 386 HG1 THR 51 HG1 THR 51 4.481 9.341 -1.107 387 1HG2 THR 51 HG21 THR 51 1.770 7.908 0.507 388 2HG2 THR 51 HG22 THR 51 3.216 8.034 1.507 389 3HG2 THR 51 HG23 THR 51 2.679 6.457 0.930 390 H TRP 52 HN TRP 52 1.925 5.623 -0.701 391 HA TRP 52 HA TRP 52 1.699 4.584 -3.459 392 1HB TRP 52 HB2 TRP 52 1.833 2.939 -0.943 393 2HB TRP 52 HB1 TRP 52 0.907 2.375 -2.330 394 HD1 TRP 52 HD1 TRP 52 4.422 2.773 -1.068 395 HE1 TRP 52 HE1 TRP 52 6.067 1.826 -2.820 396 HE3 TRP 52 HE3 TRP 52 1.217 2.055 -4.927 397 HZ2 TRP 52 HZ2 TRP 52 6.005 0.876 -5.533 398 HZ3 TRP 52 HZ3 TRP 52 2.008 1.126 -7.094 399 HH2 TRP 52 HH2 TRP 52 4.399 0.535 -7.397 400 H THR 53 HN THR 53 -0.597 3.251 -3.390 401 HA THR 53 HA THR 53 -2.581 4.492 -1.605 402 HB THR 53 HB THR 53 -2.784 4.909 -4.596 403 HG1 THR 53 HG1 THR 53 -1.461 6.508 -4.403 404 1HG2 THR 53 HG21 THR 53 -4.896 5.275 -3.721 405 2HG2 THR 53 HG22 THR 53 -4.202 6.887 -3.553 406 3HG2 THR 53 HG23 THR 53 -4.271 5.807 -2.161 407 H VAL 54 HN VAL 54 -4.856 3.673 -2.300 408 HA VAL 54 HA VAL 54 -5.058 1.310 -3.975 409 HB VAL 54 HB VAL 54 -3.774 0.295 -2.193 410 1HG1 VAL 54 HG11 VAL 54 -3.808 1.571 -0.308 411 2HG1 VAL 54 HG12 VAL 54 -5.064 0.431 0.172 412 3HG1 VAL 54 HG13 VAL 54 -5.505 2.000 -0.499 413 1HG2 VAL 54 HG21 VAL 54 -6.131 -0.736 -2.957 414 2HG2 VAL 54 HG22 VAL 54 -6.495 -0.495 -1.248 415 3HG2 VAL 54 HG23 VAL 54 -5.130 -1.511 -1.723 416 H THR 55 HN THR 55 -6.851 2.711 -4.656 417 HA THR 55 HA THR 55 -9.062 3.180 -2.750 418 HB THR 55 HB THR 55 -8.994 3.699 -5.728 419 HG1 THR 55 HG1 THR 55 -7.749 5.413 -5.389 420 1HG2 THR 55 HG21 THR 55 -10.448 5.564 -5.132 421 2HG2 THR 55 HG22 THR 55 -10.241 5.211 -3.416 422 3HG2 THR 55 HG23 THR 55 -11.104 4.074 -4.453 423 H GLU 56 HN GLU 56 -10.819 1.831 -2.598 424 HA GLU 56 HA GLU 56 -10.934 -0.703 -3.950 425 1HB GLU 56 HB2 GLU 56 -11.977 0.258 -1.713 426 2HB GLU 56 HB1 GLU 56 -13.344 0.638 -2.761 427 1HG GLU 56 HG2 GLU 56 -13.190 -1.800 -3.565 428 2HG GLU 56 HG1 GLU 56 -12.140 -2.070 -2.173 Start of MODEL 13 1 1H THR 1 HT1 THR 1 14.274 5.440 6.055 2 2H THR 1 HT2 THR 1 15.424 6.094 4.990 3 3H THR 1 HT3 THR 1 15.352 4.415 5.239 4 HA THR 1 HA THR 1 13.351 6.114 3.841 5 HB THR 1 HB THR 1 14.018 4.582 1.984 6 HG1 THR 1 HG1 THR 1 14.690 2.807 3.114 7 1HG2 THR 1 HG21 THR 1 16.450 5.834 3.277 8 2HG2 THR 1 HG22 THR 1 15.195 6.779 2.475 9 3HG2 THR 1 HG23 THR 1 16.141 5.609 1.555 10 H THR 2 HN THR 2 11.286 5.418 4.189 11 HA THR 2 HA THR 2 10.817 2.498 4.679 12 HB THR 2 HB THR 2 9.439 4.813 6.074 13 HG1 THR 2 HG1 THR 2 10.770 4.212 7.835 14 1HG2 THR 2 HG21 THR 2 9.580 1.892 6.846 15 2HG2 THR 2 HG22 THR 2 8.274 2.561 5.866 16 3HG2 THR 2 HG23 THR 2 8.523 3.136 7.515 17 H PHE 3 HN PHE 3 9.223 1.691 3.366 18 HA PHE 3 HA PHE 3 7.941 3.324 1.356 19 1HB PHE 3 HB2 PHE 3 7.371 0.512 2.363 20 2HB PHE 3 HB1 PHE 3 6.788 1.182 0.840 21 HD1 PHE 3 HD1 PHE 3 8.951 2.568 -0.364 22 HD2 PHE 3 HD2 PHE 3 9.103 -1.014 2.012 23 HE1 PHE 3 HE1 PHE 3 11.085 1.930 -1.452 24 HE2 PHE 3 HE2 PHE 3 11.236 -1.645 0.921 25 HZ PHE 3 HZ PHE 3 12.228 -0.173 -0.809 26 H LYS 4 HN LYS 4 5.614 3.717 1.164 27 HA LYS 4 HA LYS 4 4.075 3.563 3.730 28 1HB LYS 4 HB2 LYS 4 5.276 5.800 3.202 29 2HB LYS 4 HB1 LYS 4 4.090 5.977 1.913 30 1HG LYS 4 HG2 LYS 4 2.286 5.611 3.652 31 2HG LYS 4 HG1 LYS 4 3.546 5.729 4.877 32 1HD LYS 4 HD2 LYS 4 3.350 7.967 4.818 33 2HD LYS 4 HD1 LYS 4 3.938 7.941 3.156 34 1HE LYS 4 HE2 LYS 4 1.580 7.542 2.380 35 2HE LYS 4 HE1 LYS 4 1.040 7.750 4.057 36 1HZ LYS 4 HZ1 LYS 4 0.972 9.861 2.888 37 2HZ LYS 4 HZ2 LYS 4 2.613 9.715 2.473 38 3HZ LYS 4 HZ3 LYS 4 2.158 9.905 4.099 39 H LEU 5 HN LEU 5 1.774 3.525 3.414 40 HA LEU 5 HA LEU 5 0.696 3.541 0.659 41 1HB LEU 5 HB2 LEU 5 1.646 1.192 1.520 42 2HB LEU 5 HB1 LEU 5 0.096 1.137 2.347 43 HG LEU 5 HG LEU 5 -0.204 2.018 -0.423 44 1HD1 LEU 5 HD11 LEU 5 0.540 0.147 -1.609 45 2HD1 LEU 5 HD12 LEU 5 0.592 -0.870 -0.160 46 3HD1 LEU 5 HD13 LEU 5 1.834 0.359 -0.423 47 1HD2 LEU 5 HD21 LEU 5 -2.073 1.284 0.959 48 2HD2 LEU 5 HD22 LEU 5 -1.312 -0.288 1.208 49 3HD2 LEU 5 HD23 LEU 5 -1.886 0.170 -0.396 50 H ILE 6 HN ILE 6 -1.405 4.297 0.704 51 HA ILE 6 HA ILE 6 -2.653 4.698 3.393 52 HB ILE 6 HB ILE 6 -2.960 6.071 0.708 53 1HG1 ILE 6 HG12 ILE 6 -0.823 6.497 1.885 54 2HG1 ILE 6 HG11 ILE 6 -1.825 7.946 1.831 55 1HG2 ILE 6 HG21 ILE 6 -5.000 6.653 1.535 56 2HG2 ILE 6 HG22 ILE 6 -4.076 7.761 2.548 57 3HG2 ILE 6 HG23 ILE 6 -4.571 6.192 3.182 58 1HD1 ILE 6 HD11 ILE 6 -2.613 6.658 4.185 59 2HD1 ILE 6 HD12 ILE 6 -1.560 8.067 4.071 60 3HD1 ILE 6 HD13 ILE 6 -0.863 6.449 4.140 61 H ILE 7 HN ILE 7 -4.628 3.773 3.817 62 HA ILE 7 HA ILE 7 -5.747 1.864 1.874 63 HB ILE 7 HB ILE 7 -6.549 2.679 4.690 64 1HG1 ILE 7 HG12 ILE 7 -4.969 0.269 3.738 65 2HG1 ILE 7 HG11 ILE 7 -4.238 1.715 4.436 66 1HG2 ILE 7 HG21 ILE 7 -8.426 1.602 3.672 67 2HG2 ILE 7 HG22 ILE 7 -7.622 0.359 4.630 68 3HG2 ILE 7 HG23 ILE 7 -7.398 0.406 2.882 69 1HD1 ILE 7 HD11 ILE 7 -5.933 -0.377 5.754 70 2HD1 ILE 7 HD12 ILE 7 -5.980 1.272 6.378 71 3HD1 ILE 7 HD13 ILE 7 -4.454 0.390 6.333 72 H ASN 8 HN ASN 8 -7.254 2.530 0.404 73 HA ASN 8 HA ASN 8 -9.025 4.846 1.118 74 1HB ASN 8 HB2 ASN 8 -7.713 3.880 -1.420 75 2HB ASN 8 HB1 ASN 8 -9.138 4.918 -1.496 76 1HD2 ASN 8 HD21 ASN 8 -7.777 6.674 -2.397 77 2HD2 ASN 8 HD22 ASN 8 -6.742 7.565 -1.375 78 H GLY 9 HN GLY 9 -9.898 2.457 2.073 79 1HA GLY 9 HA2 GLY 9 -11.581 1.085 0.094 80 2HA GLY 9 HA1 GLY 9 -11.486 0.708 1.819 81 H LYS 10 HN LYS 10 -13.931 0.980 0.327 82 HA LYS 10 HA LYS 10 -15.241 3.461 0.501 83 1HB LYS 10 HB2 LYS 10 -16.230 0.622 0.873 84 2HB LYS 10 HB1 LYS 10 -17.295 2.005 0.615 85 1HG LYS 10 HG2 LYS 10 -16.121 2.481 -1.525 86 2HG LYS 10 HG1 LYS 10 -15.128 1.045 -1.277 87 1HD LYS 10 HD2 LYS 10 -16.949 -0.418 -1.551 88 2HD LYS 10 HD1 LYS 10 -18.133 0.851 -1.235 89 1HE LYS 10 HE2 LYS 10 -17.898 1.786 -3.378 90 2HE LYS 10 HE1 LYS 10 -16.298 1.059 -3.621 91 1HZ LYS 10 HZ1 LYS 10 -18.159 -0.116 -4.784 92 2HZ LYS 10 HZ2 LYS 10 -18.775 -0.534 -3.256 93 3HZ LYS 10 HZ3 LYS 10 -17.247 -1.095 -3.742 94 H THR 11 HN THR 11 -14.508 1.131 3.031 95 HA THR 11 HA THR 11 -15.805 2.955 5.033 96 HB THR 11 HB THR 11 -15.550 -0.067 5.131 97 HG1 THR 11 HG1 THR 11 -17.263 -0.105 3.948 98 1HG2 THR 11 HG21 THR 11 -16.676 0.017 7.127 99 2HG2 THR 11 HG22 THR 11 -17.576 1.466 6.677 100 3HG2 THR 11 HG23 THR 11 -15.901 1.599 7.213 101 H LEU 12 HN LEU 12 -13.233 0.552 4.446 102 HA LEU 12 HA LEU 12 -11.842 1.235 6.953 103 1HB LEU 12 HB2 LEU 12 -11.186 -0.539 4.579 104 2HB LEU 12 HB1 LEU 12 -10.245 -0.479 6.070 105 HG LEU 12 HG LEU 12 -13.177 -0.910 6.356 106 1HD1 LEU 12 HD11 LEU 12 -13.211 -3.110 5.603 107 2HD1 LEU 12 HD12 LEU 12 -11.462 -3.293 5.743 108 3HD1 LEU 12 HD13 LEU 12 -12.149 -2.371 4.405 109 1HD2 LEU 12 HD21 LEU 12 -11.693 -0.806 8.309 110 2HD2 LEU 12 HD22 LEU 12 -10.692 -2.093 7.638 111 3HD2 LEU 12 HD23 LEU 12 -12.348 -2.435 8.140 112 H LYS 13 HN LYS 13 -9.944 2.459 7.084 113 HA LYS 13 HA LYS 13 -8.578 3.406 4.645 114 1HB LYS 13 HB2 LYS 13 -10.608 4.918 6.147 115 2HB LYS 13 HB1 LYS 13 -9.095 5.800 5.948 116 1HG LYS 13 HG2 LYS 13 -9.348 5.992 3.685 117 2HG LYS 13 HG1 LYS 13 -10.080 4.395 3.529 118 1HD LYS 13 HD2 LYS 13 -12.211 5.177 3.932 119 2HD LYS 13 HD1 LYS 13 -11.647 6.492 4.964 120 1HE LYS 13 HE2 LYS 13 -10.883 6.584 2.069 121 2HE LYS 13 HE1 LYS 13 -12.553 6.997 2.506 122 1HZ LYS 13 HZ1 LYS 13 -11.789 8.590 4.073 123 2HZ LYS 13 HZ2 LYS 13 -10.959 8.900 2.623 124 3HZ LYS 13 HZ3 LYS 13 -10.175 8.098 3.900 125 H GLY 14 HN GLY 14 -6.959 5.305 5.576 126 1HA GLY 14 HA2 GLY 14 -5.783 5.842 7.792 127 2HA GLY 14 HA1 GLY 14 -5.665 4.093 7.983 128 H GLU 15 HN GLU 15 -3.320 4.366 8.037 129 HA GLU 15 HA GLU 15 -2.151 4.425 5.297 130 1HB GLU 15 HB2 GLU 15 -0.392 5.979 6.118 131 2HB GLU 15 HB1 GLU 15 -1.995 6.702 6.229 132 1HG GLU 15 HG2 GLU 15 -1.970 5.689 8.662 133 2HG GLU 15 HG1 GLU 15 -0.222 5.686 8.430 134 H THR 16 HN THR 16 0.067 3.467 5.285 135 HA THR 16 HA THR 16 0.927 1.995 7.697 136 HB THR 16 HB THR 16 -0.860 0.594 6.758 137 HG1 THR 16 HG1 THR 16 0.638 -0.712 7.536 138 1HG2 THR 16 HG21 THR 16 -0.941 1.265 4.472 139 2HG2 THR 16 HG22 THR 16 -0.420 -0.419 4.451 140 3HG2 THR 16 HG23 THR 16 0.760 0.872 4.215 141 H THR 17 HN THR 17 3.080 1.188 7.492 142 HA THR 17 HA THR 17 4.505 1.788 4.929 143 HB THR 17 HB THR 17 6.287 2.848 6.281 144 HG1 THR 17 HG1 THR 17 5.993 3.116 8.459 145 1HG2 THR 17 HG21 THR 17 3.786 3.927 5.673 146 2HG2 THR 17 HG22 THR 17 5.229 4.835 6.122 147 3HG2 THR 17 HG23 THR 17 4.052 4.384 7.355 148 H THR 18 HN THR 18 6.538 0.573 4.731 149 HA THR 18 HA THR 18 6.942 -1.606 6.703 150 HB THR 18 HB THR 18 5.718 -1.763 4.038 151 HG1 THR 18 HG1 THR 18 4.863 -2.755 5.832 152 1HG2 THR 18 HG21 THR 18 6.914 -3.749 3.233 153 2HG2 THR 18 HG22 THR 18 8.076 -3.606 4.554 154 3HG2 THR 18 HG23 THR 18 7.994 -2.355 3.311 155 H GLU 19 HN GLU 19 9.058 -2.796 6.102 156 HA GLU 19 HA GLU 19 11.039 -0.889 4.897 157 1HB GLU 19 HB2 GLU 19 11.099 -0.987 7.378 158 2HB GLU 19 HB1 GLU 19 11.320 -2.735 7.294 159 1HG GLU 19 HG2 GLU 19 13.218 -1.090 5.702 160 2HG GLU 19 HG1 GLU 19 13.393 -1.011 7.456 161 H ALA 20 HN ALA 20 11.954 -1.835 3.108 162 HA ALA 20 HA ALA 20 12.797 -4.662 3.180 163 1HB ALA 20 HB1 ALA 20 10.414 -3.594 1.729 164 2HB ALA 20 HB2 ALA 20 10.653 -5.175 2.476 165 3HB ALA 20 HB3 ALA 20 11.382 -4.820 0.909 166 H VAL 21 HN VAL 21 13.647 -5.217 0.828 167 HA VAL 21 HA VAL 21 15.793 -3.464 0.174 168 HB VAL 21 HB VAL 21 15.667 -5.878 -0.345 169 1HG1 VAL 21 HG11 VAL 21 13.806 -5.228 -2.620 170 2HG1 VAL 21 HG12 VAL 21 13.173 -5.678 -1.037 171 3HG1 VAL 21 HG13 VAL 21 14.193 -6.804 -1.933 172 1HG2 VAL 21 HG21 VAL 21 16.949 -5.732 -2.255 173 2HG2 VAL 21 HG22 VAL 21 16.921 -4.027 -1.807 174 3HG2 VAL 21 HG23 VAL 21 15.823 -4.630 -3.048 175 H ASP 22 HN ASP 22 12.553 -3.799 -1.227 176 HA ASP 22 HA ASP 22 12.798 -1.119 -2.464 177 1HB ASP 22 HB2 ASP 22 13.804 -2.776 -4.017 178 2HB ASP 22 HB1 ASP 22 12.300 -3.696 -3.987 179 H ALA 23 HN ALA 23 10.669 -0.337 -3.186 180 HA ALA 23 HA ALA 23 8.488 -1.020 -1.481 181 1HB ALA 23 HB1 ALA 23 8.958 0.579 -3.957 182 2HB ALA 23 HB2 ALA 23 8.294 1.089 -2.405 183 3HB ALA 23 HB3 ALA 23 7.282 0.212 -3.551 184 H ALA 24 HN ALA 24 9.508 -2.344 -4.570 185 HA ALA 24 HA ALA 24 7.081 -3.606 -5.400 186 1HB ALA 24 HB1 ALA 24 9.239 -3.317 -6.685 187 2HB ALA 24 HB2 ALA 24 8.578 -4.950 -6.771 188 3HB ALA 24 HB3 ALA 24 9.934 -4.603 -5.699 189 H THR 25 HN THR 25 9.757 -4.795 -3.354 190 HA THR 25 HA THR 25 8.573 -7.370 -2.790 191 HB THR 25 HB THR 25 10.703 -5.646 -1.481 192 HG1 THR 25 HG1 THR 25 11.620 -6.418 -3.209 193 1HG2 THR 25 HG21 THR 25 11.364 -7.601 -0.167 194 2HG2 THR 25 HG22 THR 25 10.042 -8.542 -0.859 195 3HG2 THR 25 HG23 THR 25 9.690 -7.178 0.207 196 H ALA 26 HN ALA 26 8.764 -4.323 -0.897 197 HA ALA 26 HA ALA 26 7.269 -5.202 1.353 198 1HB ALA 26 HB1 ALA 26 8.492 -3.152 1.462 199 2HB ALA 26 HB2 ALA 26 6.794 -2.667 1.532 200 3HB ALA 26 HB3 ALA 26 7.700 -2.517 0.020 201 H GLU 27 HN GLU 27 6.122 -3.259 -1.425 202 HA GLU 27 HA GLU 27 3.429 -3.031 -0.946 203 1HB GLU 27 HB2 GLU 27 4.704 -2.195 -2.908 204 2HB GLU 27 HB1 GLU 27 4.733 -3.829 -3.569 205 1HG GLU 27 HG2 GLU 27 2.133 -3.710 -3.304 206 2HG GLU 27 HG1 GLU 27 2.394 -1.967 -3.242 207 H LYS 28 HN LYS 28 5.030 -6.022 -2.049 208 HA LYS 28 HA LYS 28 2.638 -7.529 -2.616 209 1HB LYS 28 HB2 LYS 28 5.373 -8.396 -1.591 210 2HB LYS 28 HB1 LYS 28 4.186 -9.461 -2.343 211 1HG LYS 28 HG2 LYS 28 4.497 -8.545 -4.456 212 2HG LYS 28 HG1 LYS 28 5.063 -7.002 -3.817 213 1HD LYS 28 HD2 LYS 28 7.099 -7.860 -4.457 214 2HD LYS 28 HD1 LYS 28 7.009 -8.583 -2.851 215 1HE LYS 28 HE2 LYS 28 7.436 -10.497 -4.096 216 2HE LYS 28 HE1 LYS 28 5.666 -10.474 -4.227 217 1HZ LYS 28 HZ1 LYS 28 7.600 -9.271 -6.136 218 2HZ LYS 28 HZ2 LYS 28 5.915 -9.072 -6.222 219 3HZ LYS 28 HZ3 LYS 28 6.603 -10.612 -6.423 220 H VAL 29 HN VAL 29 4.635 -7.131 0.301 221 HA VAL 29 HA VAL 29 3.008 -8.792 2.037 222 HB VAL 29 HB VAL 29 5.092 -6.610 2.367 223 1HG1 VAL 29 HG11 VAL 29 3.778 -8.165 4.622 224 2HG1 VAL 29 HG12 VAL 29 3.545 -6.442 4.306 225 3HG1 VAL 29 HG13 VAL 29 5.134 -7.047 4.786 226 1HG2 VAL 29 HG21 VAL 29 4.992 -9.604 2.764 227 2HG2 VAL 29 HG22 VAL 29 6.306 -8.617 3.406 228 3HG2 VAL 29 HG23 VAL 29 6.022 -8.684 1.667 229 H LEU 30 HN LEU 30 3.035 -5.334 1.167 230 HA LEU 30 HA LEU 30 1.098 -4.499 3.109 231 1HB LEU 30 HB2 LEU 30 2.088 -3.481 0.439 232 2HB LEU 30 HB1 LEU 30 0.833 -2.618 1.313 233 HG LEU 30 HG LEU 30 3.355 -1.938 1.625 234 1HD1 LEU 30 HD11 LEU 30 1.639 -0.850 2.878 235 2HD1 LEU 30 HD12 LEU 30 2.892 -1.343 4.024 236 3HD1 LEU 30 HD13 LEU 30 1.394 -2.274 3.893 237 1HD2 LEU 30 HD21 LEU 30 3.152 -4.333 3.457 238 2HD2 LEU 30 HD22 LEU 30 4.287 -3.026 3.711 239 3HD2 LEU 30 HD23 LEU 30 4.378 -3.980 2.244 240 H LYS 31 HN LYS 31 0.882 -5.915 -0.109 241 HA LYS 31 HA LYS 31 -1.934 -5.531 -0.599 242 1HB LYS 31 HB2 LYS 31 0.123 -6.497 -2.025 243 2HB LYS 31 HB1 LYS 31 -0.434 -8.020 -1.373 244 1HG LYS 31 HG2 LYS 31 -2.337 -6.094 -2.712 245 2HG LYS 31 HG1 LYS 31 -1.432 -7.291 -3.636 246 1HD LYS 31 HD2 LYS 31 -3.328 -7.881 -1.340 247 2HD LYS 31 HD1 LYS 31 -3.649 -8.175 -3.048 248 1HE LYS 31 HE2 LYS 31 -1.166 -9.425 -2.524 249 2HE LYS 31 HE1 LYS 31 -2.226 -9.859 -1.163 250 1HZ LYS 31 HZ1 LYS 31 -2.904 -10.075 -4.055 251 2HZ LYS 31 HZ2 LYS 31 -3.973 -10.405 -2.777 252 3HZ LYS 31 HZ3 LYS 31 -2.595 -11.371 -3.006 253 H GLN 32 HN GLN 32 -0.036 -8.109 0.934 254 HA GLN 32 HA GLN 32 -2.097 -9.932 1.606 255 1HB GLN 32 HB2 GLN 32 0.601 -9.181 2.623 256 2HB GLN 32 HB1 GLN 32 -0.398 -10.215 3.645 257 1HG GLN 32 HG2 GLN 32 -0.229 -10.916 0.755 258 2HG GLN 32 HG1 GLN 32 1.194 -11.233 1.748 259 1HE2 GLN 32 HE21 GLN 32 1.013 -13.517 1.954 260 2HE2 GLN 32 HE22 GLN 32 -0.324 -14.286 2.684 261 H TYR 33 HN TYR 33 -0.935 -7.030 3.299 262 HA TYR 33 HA TYR 33 -2.605 -7.249 5.647 263 1HB TYR 33 HB2 TYR 33 -0.635 -5.796 5.489 264 2HB TYR 33 HB1 TYR 33 -1.377 -4.885 4.174 265 HD1 TYR 33 HD1 TYR 33 -1.691 -5.778 7.753 266 HD2 TYR 33 HD2 TYR 33 -2.938 -3.138 4.608 267 HE1 TYR 33 HE1 TYR 33 -2.817 -4.342 9.414 268 HE2 TYR 33 HE2 TYR 33 -4.063 -1.688 6.274 269 HH TYR 33 HH TYR 33 -3.882 -1.202 8.713 270 H ILE 34 HN ILE 34 -2.997 -5.694 2.481 271 HA ILE 34 HA ILE 34 -5.575 -4.496 2.942 272 HB ILE 34 HB ILE 34 -4.177 -5.496 0.440 273 1HG1 ILE 34 HG12 ILE 34 -3.040 -3.763 1.993 274 2HG1 ILE 34 HG11 ILE 34 -3.151 -3.373 0.282 275 1HG2 ILE 34 HG21 ILE 34 -6.370 -5.164 -0.290 276 2HG2 ILE 34 HG22 ILE 34 -5.638 -3.587 -0.587 277 3HG2 ILE 34 HG23 ILE 34 -6.650 -3.835 0.836 278 1HD1 ILE 34 HD11 ILE 34 -5.392 -2.492 2.049 279 2HD1 ILE 34 HD12 ILE 34 -4.695 -1.698 0.636 280 3HD1 ILE 34 HD13 ILE 34 -3.858 -1.630 2.188 281 H ASN 35 HN ASN 35 -4.517 -7.726 2.025 282 HA ASN 35 HA ASN 35 -6.920 -8.810 0.967 283 1HB ASN 35 HB2 ASN 35 -4.565 -9.779 1.073 284 2HB ASN 35 HB1 ASN 35 -4.914 -10.222 2.744 285 1HD2 ASN 35 HD21 ASN 35 -5.620 -10.991 -0.619 286 2HD2 ASN 35 HD22 ASN 35 -6.545 -12.379 -0.302 287 H ASP 36 HN ASP 36 -5.970 -8.123 4.284 288 HA ASP 36 HA ASP 36 -8.084 -9.713 5.528 289 1HB ASP 36 HB2 ASP 36 -5.823 -9.031 6.490 290 2HB ASP 36 HB1 ASP 36 -6.484 -7.405 6.669 291 H ASN 37 HN ASN 37 -7.526 -6.185 5.180 292 HA ASN 37 HA ASN 37 -10.068 -5.350 6.191 293 1HB ASN 37 HB2 ASN 37 -8.181 -4.083 4.173 294 2HB ASN 37 HB1 ASN 37 -9.464 -3.225 5.034 295 1HD2 ASN 37 HD21 ASN 37 -6.469 -2.841 5.213 296 2HD2 ASN 37 HD22 ASN 37 -6.094 -3.047 6.864 297 H GLY 38 HN GLY 38 -9.044 -6.449 3.006 298 1HA GLY 38 HA2 GLY 38 -10.429 -7.238 1.249 299 2HA GLY 38 HA1 GLY 38 -11.842 -6.714 2.166 300 H ILE 39 HN ILE 39 -9.056 -4.684 1.374 301 HA ILE 39 HA ILE 39 -10.861 -3.021 -0.357 302 HB ILE 39 HB ILE 39 -8.604 -2.206 1.506 303 1HG1 ILE 39 HG12 ILE 39 -10.613 -2.955 2.723 304 2HG1 ILE 39 HG11 ILE 39 -10.414 -1.207 2.872 305 1HG2 ILE 39 HG21 ILE 39 -10.501 -0.584 -0.213 306 2HG2 ILE 39 HG22 ILE 39 -8.744 -0.656 -0.346 307 3HG2 ILE 39 HG23 ILE 39 -9.491 0.108 1.056 308 1HD1 ILE 39 HD11 ILE 39 -12.571 -2.742 1.590 309 2HD1 ILE 39 HD12 ILE 39 -11.951 -1.432 0.586 310 3HD1 ILE 39 HD13 ILE 39 -12.578 -1.086 2.198 311 H ASP 40 HN ASP 40 -9.894 -4.525 -2.079 312 HA ASP 40 HA ASP 40 -7.182 -3.553 -2.928 313 1HB ASP 40 HB2 ASP 40 -7.691 -6.028 -2.189 314 2HB ASP 40 HB1 ASP 40 -8.428 -6.154 -3.790 315 H GLY 41 HN GLY 41 -7.776 -1.933 -4.395 316 1HA GLY 41 HA2 GLY 41 -9.463 -2.820 -6.699 317 2HA GLY 41 HA1 GLY 41 -9.696 -1.228 -5.971 318 H GLU 42 HN GLU 42 -7.979 0.351 -6.197 319 HA GLU 42 HA GLU 42 -5.996 -0.297 -8.354 320 1HB GLU 42 HB2 GLU 42 -8.202 1.613 -8.225 321 2HB GLU 42 HB1 GLU 42 -6.673 2.424 -8.549 322 1HG GLU 42 HG2 GLU 42 -6.900 1.804 -10.702 323 2HG GLU 42 HG1 GLU 42 -6.606 0.145 -10.185 324 H TRP 43 HN TRP 43 -3.958 -0.005 -7.578 325 HA TRP 43 HA TRP 43 -3.507 1.797 -5.245 326 1HB TRP 43 HB2 TRP 43 -1.849 -0.304 -6.678 327 2HB TRP 43 HB1 TRP 43 -1.236 0.664 -5.350 328 HD1 TRP 43 HD1 TRP 43 -4.839 -0.673 -5.253 329 HE1 TRP 43 HE1 TRP 43 -4.988 -2.451 -3.410 330 HE3 TRP 43 HE3 TRP 43 0.076 -1.012 -3.977 331 HZ2 TRP 43 HZ2 TRP 43 -3.263 -3.810 -1.595 332 HZ3 TRP 43 HZ3 TRP 43 0.796 -2.545 -2.159 333 HH2 TRP 43 HH2 TRP 43 -0.860 -3.937 -0.973 334 H THR 44 HN THR 44 -1.518 3.203 -5.387 335 HA THR 44 HA THR 44 -0.613 3.910 -8.119 336 HB THR 44 HB THR 44 -1.230 6.272 -7.791 337 HG1 THR 44 HG1 THR 44 -2.081 6.957 -5.967 338 1HG2 THR 44 HG21 THR 44 -3.564 6.054 -8.205 339 2HG2 THR 44 HG22 THR 44 -3.674 4.586 -7.235 340 3HG2 THR 44 HG23 THR 44 -2.844 4.555 -8.790 341 H TYR 45 HN TYR 45 1.535 4.372 -8.028 342 HA TYR 45 HA TYR 45 2.878 4.488 -5.410 343 1HB TYR 45 HB2 TYR 45 3.771 3.105 -7.207 344 2HB TYR 45 HB1 TYR 45 3.800 4.480 -8.309 345 HD1 TYR 45 HD1 TYR 45 5.208 3.283 -5.052 346 HD2 TYR 45 HD2 TYR 45 5.714 5.838 -8.465 347 HE1 TYR 45 HE1 TYR 45 7.492 3.864 -4.277 348 HE2 TYR 45 HE2 TYR 45 7.997 6.421 -7.693 349 HH TYR 45 HH TYR 45 9.757 4.801 -5.782 350 H ASP 46 HN ASP 46 4.625 6.236 -5.134 351 HA ASP 46 HA ASP 46 3.994 8.815 -6.494 352 1HB ASP 46 HB2 ASP 46 4.160 8.470 -3.479 353 2HB ASP 46 HB1 ASP 46 3.766 9.949 -4.349 354 H ASP 47 HN ASP 47 5.906 9.745 -7.087 355 HA ASP 47 HA ASP 47 8.466 8.650 -6.260 356 1HB ASP 47 HB2 ASP 47 7.358 10.670 -8.102 357 2HB ASP 47 HB1 ASP 47 8.971 11.055 -7.504 358 H ALA 48 HN ALA 48 6.367 10.842 -4.716 359 HA ALA 48 HA ALA 48 8.051 12.850 -3.653 360 1HB ALA 48 HB1 ALA 48 6.317 12.494 -1.665 361 2HB ALA 48 HB2 ALA 48 5.559 11.396 -2.822 362 3HB ALA 48 HB3 ALA 48 5.772 13.101 -3.229 363 H THR 49 HN THR 49 6.958 10.065 -1.717 364 HA THR 49 HA THR 49 9.741 9.730 -0.658 365 HB THR 49 HB THR 49 8.352 11.149 0.838 366 HG1 THR 49 HG1 THR 49 9.109 10.123 2.512 367 1HG2 THR 49 HG21 THR 49 6.154 10.258 0.133 368 2HG2 THR 49 HG22 THR 49 6.338 10.193 1.888 369 3HG2 THR 49 HG23 THR 49 6.533 8.727 0.923 370 H LYS 50 HN LYS 50 8.362 8.152 -2.645 371 HA LYS 50 HA LYS 50 7.864 5.917 -3.147 372 1HB LYS 50 HB2 LYS 50 9.217 5.502 -0.461 373 2HB LYS 50 HB1 LYS 50 8.975 4.261 -1.688 374 1HG LYS 50 HG2 LYS 50 10.319 6.746 -2.606 375 2HG LYS 50 HG1 LYS 50 11.245 5.726 -1.507 376 1HD LYS 50 HD2 LYS 50 9.848 4.246 -3.646 377 2HD LYS 50 HD1 LYS 50 11.097 5.348 -4.222 378 1HE LYS 50 HE2 LYS 50 11.864 3.724 -1.862 379 2HE LYS 50 HE1 LYS 50 11.637 2.819 -3.372 380 1HZ LYS 50 HZ1 LYS 50 13.863 3.659 -3.344 381 2HZ LYS 50 HZ2 LYS 50 13.329 5.228 -2.969 382 3HZ LYS 50 HZ3 LYS 50 12.988 4.552 -4.490 383 H THR 51 HN THR 51 5.703 7.302 -2.171 384 HA THR 51 HA THR 51 4.438 5.694 -0.019 385 HB THR 51 HB THR 51 3.485 8.080 -1.645 386 HG1 THR 51 HG1 THR 51 4.699 7.864 0.905 387 1HG2 THR 51 HG21 THR 51 2.052 8.286 0.549 388 2HG2 THR 51 HG22 THR 51 2.366 6.555 0.685 389 3HG2 THR 51 HG23 THR 51 1.534 7.192 -0.734 390 H TRP 52 HN TRP 52 2.109 4.976 -0.491 391 HA TRP 52 HA TRP 52 1.737 4.142 -3.344 392 1HB TRP 52 HB2 TRP 52 1.786 2.537 -0.794 393 2HB TRP 52 HB1 TRP 52 0.918 1.962 -2.212 394 HD1 TRP 52 HD1 TRP 52 4.399 2.435 -0.834 395 HE1 TRP 52 HE1 TRP 52 6.101 1.423 -2.493 396 HE3 TRP 52 HE3 TRP 52 1.311 1.504 -4.739 397 HZ2 TRP 52 HZ2 TRP 52 6.123 0.346 -5.161 398 HZ3 TRP 52 HZ3 TRP 52 2.168 0.483 -6.839 399 HH2 TRP 52 HH2 TRP 52 4.572 -0.098 -7.050 400 H THR 53 HN THR 53 -0.592 2.821 -3.188 401 HA THR 53 HA THR 53 -2.544 4.183 -1.463 402 HB THR 53 HB THR 53 -2.742 4.480 -4.470 403 HG1 THR 53 HG1 THR 53 -1.160 5.839 -4.205 404 1HG2 THR 53 HG21 THR 53 -4.182 6.472 -3.604 405 2HG2 THR 53 HG22 THR 53 -4.186 5.588 -2.078 406 3HG2 THR 53 HG23 THR 53 -4.856 4.844 -3.529 407 H VAL 54 HN VAL 54 -4.835 3.369 -2.107 408 HA VAL 54 HA VAL 54 -5.076 0.944 -3.689 409 HB VAL 54 HB VAL 54 -3.789 0.002 -1.863 410 1HG1 VAL 54 HG11 VAL 54 -5.493 1.801 -0.259 411 2HG1 VAL 54 HG12 VAL 54 -3.823 1.302 -0.006 412 3HG1 VAL 54 HG13 VAL 54 -5.142 0.240 0.482 413 1HG2 VAL 54 HG21 VAL 54 -5.148 -1.787 -1.339 414 2HG2 VAL 54 HG22 VAL 54 -6.141 -1.056 -2.607 415 3HG2 VAL 54 HG23 VAL 54 -6.515 -0.755 -0.910 416 H THR 55 HN THR 55 -6.853 2.346 -4.413 417 HA THR 55 HA THR 55 -9.058 2.887 -2.514 418 HB THR 55 HB THR 55 -8.941 3.362 -5.501 419 HG1 THR 55 HG1 THR 55 -7.660 5.025 -5.164 420 1HG2 THR 55 HG21 THR 55 -10.241 4.950 -3.274 421 2HG2 THR 55 HG22 THR 55 -11.082 3.724 -4.223 422 3HG2 THR 55 HG23 THR 55 -10.459 5.174 -5.010 423 H GLU 56 HN GLU 56 -10.957 1.698 -2.467 424 HA GLU 56 HA GLU 56 -11.050 -0.890 -3.808 425 1HB GLU 56 HB2 GLU 56 -11.950 -0.076 -1.490 426 2HB GLU 56 HB1 GLU 56 -13.349 0.471 -2.414 427 1HG GLU 56 HG2 GLU 56 -12.347 -2.313 -2.868 428 2HG GLU 56 HG1 GLU 56 -13.273 -1.983 -1.403 Start of MODEL 14 1 1H THR 1 HT1 THR 1 16.072 2.055 2.210 2 2H THR 1 HT2 THR 1 14.721 1.153 1.712 3 3H THR 1 HT3 THR 1 15.392 0.903 3.253 4 HA THR 1 HA THR 1 14.744 3.144 3.927 5 HB THR 1 HB THR 1 13.275 4.336 2.204 6 HG1 THR 1 HG1 THR 1 12.953 2.439 0.929 7 1HG2 THR 1 HG21 THR 1 15.784 4.726 2.687 8 2HG2 THR 1 HG22 THR 1 15.139 5.352 1.170 9 3HG2 THR 1 HG23 THR 1 16.070 3.854 1.181 10 H THR 2 HN THR 2 12.396 3.674 4.473 11 HA THR 2 HA THR 2 10.847 1.144 4.707 12 HB THR 2 HB THR 2 10.297 3.832 5.981 13 HG1 THR 2 HG1 THR 2 11.627 2.996 7.698 14 1HG2 THR 2 HG21 THR 2 8.554 2.180 6.285 15 2HG2 THR 2 HG22 THR 2 9.438 2.331 7.804 16 3HG2 THR 2 HG23 THR 2 9.737 0.954 6.742 17 H PHE 3 HN PHE 3 9.120 0.815 3.374 18 HA PHE 3 HA PHE 3 8.163 2.956 1.600 19 1HB PHE 3 HB2 PHE 3 7.428 0.041 2.019 20 2HB PHE 3 HB1 PHE 3 6.778 1.047 0.723 21 HD1 PHE 3 HD1 PHE 3 8.836 2.550 -0.404 22 HD2 PHE 3 HD2 PHE 3 9.137 -1.381 1.312 23 HE1 PHE 3 HE1 PHE 3 10.860 2.108 -1.765 24 HE2 PHE 3 HE2 PHE 3 11.160 -1.819 -0.052 25 HZ PHE 3 HZ PHE 3 12.022 -0.075 -1.589 26 H LYS 4 HN LYS 4 5.817 3.458 1.454 27 HA LYS 4 HA LYS 4 4.319 3.058 4.021 28 1HB LYS 4 HB2 LYS 4 5.629 5.343 3.426 29 2HB LYS 4 HB1 LYS 4 4.125 5.652 2.563 30 1HG LYS 4 HG2 LYS 4 2.952 4.938 4.754 31 2HG LYS 4 HG1 LYS 4 4.531 5.165 5.506 32 1HD LYS 4 HD2 LYS 4 3.825 7.319 5.740 33 2HD LYS 4 HD1 LYS 4 4.363 7.453 4.065 34 1HE LYS 4 HE2 LYS 4 2.220 7.597 3.261 35 2HE LYS 4 HE1 LYS 4 1.600 6.419 4.434 36 1HZ LYS 4 HZ1 LYS 4 2.001 8.139 6.176 37 2HZ LYS 4 HZ2 LYS 4 0.773 8.541 5.072 38 3HZ LYS 4 HZ3 LYS 4 2.307 9.258 4.938 39 H LEU 5 HN LEU 5 2.022 3.037 3.756 40 HA LEU 5 HA LEU 5 0.890 3.401 1.036 41 1HB LEU 5 HB2 LEU 5 1.772 0.952 1.642 42 2HB LEU 5 HB1 LEU 5 0.247 0.868 2.513 43 HG LEU 5 HG LEU 5 -0.148 2.009 -0.138 44 1HD1 LEU 5 HD11 LEU 5 0.566 0.298 -1.553 45 2HD1 LEU 5 HD12 LEU 5 0.653 -0.887 -0.238 46 3HD1 LEU 5 HD13 LEU 5 1.896 0.362 -0.388 47 1HD2 LEU 5 HD21 LEU 5 -1.178 -0.464 1.288 48 2HD2 LEU 5 HD22 LEU 5 -1.811 0.136 -0.245 49 3HD2 LEU 5 HD23 LEU 5 -1.963 1.113 1.215 50 H ILE 6 HN ILE 6 -1.317 3.961 1.134 51 HA ILE 6 HA ILE 6 -2.466 4.236 3.892 52 HB ILE 6 HB ILE 6 -2.720 5.898 1.369 53 1HG1 ILE 6 HG12 ILE 6 -0.602 6.134 2.634 54 2HG1 ILE 6 HG11 ILE 6 -1.566 7.608 2.704 55 1HG2 ILE 6 HG21 ILE 6 -3.922 7.479 3.078 56 2HG2 ILE 6 HG22 ILE 6 -4.224 5.989 3.973 57 3HG2 ILE 6 HG23 ILE 6 -4.838 6.171 2.329 58 1HD1 ILE 6 HD11 ILE 6 -0.684 5.885 4.872 59 2HD1 ILE 6 HD12 ILE 6 -2.436 6.078 4.892 60 3HD1 ILE 6 HD13 ILE 6 -1.392 7.497 4.951 61 H ILE 7 HN ILE 7 -4.439 3.283 4.245 62 HA ILE 7 HA ILE 7 -5.651 1.659 2.109 63 HB ILE 7 HB ILE 7 -6.379 2.133 5.021 64 1HG1 ILE 7 HG12 ILE 7 -4.919 -0.226 3.802 65 2HG1 ILE 7 HG11 ILE 7 -4.076 1.153 4.511 66 1HG2 ILE 7 HG21 ILE 7 -7.480 -0.160 4.682 67 2HG2 ILE 7 HG22 ILE 7 -7.310 0.134 2.951 68 3HG2 ILE 7 HG23 ILE 7 -8.294 1.216 3.937 69 1HD1 ILE 7 HD11 ILE 7 -4.216 -0.183 6.385 70 2HD1 ILE 7 HD12 ILE 7 -5.701 -0.966 5.845 71 3HD1 ILE 7 HD13 ILE 7 -5.759 0.658 6.530 72 H ASN 8 HN ASN 8 -7.103 2.614 0.739 73 HA ASN 8 HA ASN 8 -8.795 4.859 1.776 74 1HB ASN 8 HB2 ASN 8 -7.621 4.095 -0.890 75 2HB ASN 8 HB1 ASN 8 -9.026 5.157 -0.825 76 1HD2 ASN 8 HD21 ASN 8 -7.438 6.813 -1.747 77 2HD2 ASN 8 HD22 ASN 8 -6.444 7.664 -0.651 78 H GLY 9 HN GLY 9 -9.725 2.420 2.545 79 1HA GLY 9 HA2 GLY 9 -11.553 1.310 0.533 80 2HA GLY 9 HA1 GLY 9 -11.406 0.773 2.212 81 H LYS 10 HN LYS 10 -13.799 1.592 0.521 82 HA LYS 10 HA LYS 10 -14.902 4.057 1.311 83 1HB LYS 10 HB2 LYS 10 -16.197 1.363 0.802 84 2HB LYS 10 HB1 LYS 10 -17.068 2.897 0.827 85 1HG LYS 10 HG2 LYS 10 -15.470 3.712 -0.968 86 2HG LYS 10 HG1 LYS 10 -14.883 2.054 -1.093 87 1HD LYS 10 HD2 LYS 10 -16.545 2.108 -2.740 88 2HD LYS 10 HD1 LYS 10 -17.418 1.452 -1.355 89 1HE LYS 10 HE2 LYS 10 -18.707 3.335 -1.117 90 2HE LYS 10 HE1 LYS 10 -17.374 4.420 -1.561 91 1HZ LYS 10 HZ1 LYS 10 -18.785 2.612 -3.452 92 2HZ LYS 10 HZ2 LYS 10 -17.571 3.735 -3.843 93 3HZ LYS 10 HZ3 LYS 10 -19.090 4.274 -3.307 94 H THR 11 HN THR 11 -14.903 0.937 3.023 95 HA THR 11 HA THR 11 -16.279 2.223 5.341 96 HB THR 11 HB THR 11 -16.165 -0.453 5.869 97 HG1 THR 11 HG1 THR 11 -16.502 -0.267 3.070 98 1HG2 THR 11 HG21 THR 11 -18.231 0.674 5.995 99 2HG2 THR 11 HG22 THR 11 -18.467 -0.504 4.704 100 3HG2 THR 11 HG23 THR 11 -18.150 1.186 4.309 101 H LEU 12 HN LEU 12 -13.308 0.643 4.316 102 HA LEU 12 HA LEU 12 -12.239 0.818 7.111 103 1HB LEU 12 HB2 LEU 12 -11.426 -0.787 4.667 104 2HB LEU 12 HB1 LEU 12 -10.578 -0.837 6.213 105 HG LEU 12 HG LEU 12 -13.518 -1.257 6.324 106 1HD1 LEU 12 HD11 LEU 12 -11.671 -2.965 4.744 107 2HD1 LEU 12 HD12 LEU 12 -13.417 -2.765 4.605 108 3HD1 LEU 12 HD13 LEU 12 -12.747 -3.811 5.856 109 1HD2 LEU 12 HD21 LEU 12 -12.387 -1.464 8.385 110 2HD2 LEU 12 HD22 LEU 12 -11.031 -2.325 7.656 111 3HD2 LEU 12 HD23 LEU 12 -12.583 -3.137 7.862 112 H LYS 13 HN LYS 13 -9.946 1.526 7.280 113 HA LYS 13 HA LYS 13 -8.644 2.892 5.058 114 1HB LYS 13 HB2 LYS 13 -10.728 4.244 6.204 115 2HB LYS 13 HB1 LYS 13 -9.382 4.814 7.190 116 1HG LYS 13 HG2 LYS 13 -8.163 5.513 5.194 117 2HG LYS 13 HG1 LYS 13 -9.429 4.852 4.159 118 1HD LYS 13 HD2 LYS 13 -10.976 6.508 4.777 119 2HD LYS 13 HD1 LYS 13 -10.093 6.915 6.249 120 1HE LYS 13 HE2 LYS 13 -8.188 7.705 4.719 121 2HE LYS 13 HE1 LYS 13 -9.364 7.609 3.393 122 1HZ LYS 13 HZ1 LYS 13 -9.456 9.796 4.368 123 2HZ LYS 13 HZ2 LYS 13 -9.671 9.142 5.921 124 3HZ LYS 13 HZ3 LYS 13 -10.885 8.966 4.746 125 H GLY 14 HN GLY 14 -6.806 4.392 6.136 126 1HA GLY 14 HA2 GLY 14 -5.626 4.505 8.453 127 2HA GLY 14 HA1 GLY 14 -5.588 2.748 8.302 128 H GLU 15 HN GLU 15 -3.183 3.202 8.461 129 HA GLU 15 HA GLU 15 -2.068 3.523 5.710 130 1HB GLU 15 HB2 GLU 15 -0.315 5.008 6.668 131 2HB GLU 15 HB1 GLU 15 -1.928 5.692 6.867 132 1HG GLU 15 HG2 GLU 15 -1.939 4.580 9.184 133 2HG GLU 15 HG1 GLU 15 -0.205 4.347 8.954 134 H THR 16 HN THR 16 0.228 2.682 5.624 135 HA THR 16 HA THR 16 1.124 0.954 7.835 136 HB THR 16 HB THR 16 -0.642 -0.380 6.765 137 HG1 THR 16 HG1 THR 16 1.916 -1.307 5.976 138 1HG2 THR 16 HG21 THR 16 -0.753 0.539 4.564 139 2HG2 THR 16 HG22 THR 16 -0.214 -1.127 4.362 140 3HG2 THR 16 HG23 THR 16 0.950 0.196 4.255 141 H THR 17 HN THR 17 3.270 0.076 7.425 142 HA THR 17 HA THR 17 4.656 1.092 4.977 143 HB THR 17 HB THR 17 6.444 1.981 6.410 144 HG1 THR 17 HG1 THR 17 6.359 1.776 8.570 145 1HG2 THR 17 HG21 THR 17 4.069 3.142 7.758 146 2HG2 THR 17 HG22 THR 17 4.042 3.160 5.995 147 3HG2 THR 17 HG23 THR 17 5.361 3.943 6.864 148 H THR 18 HN THR 18 6.691 -0.067 4.567 149 HA THR 18 HA THR 18 7.183 -2.482 6.205 150 HB THR 18 HB THR 18 5.810 -2.315 3.608 151 HG1 THR 18 HG1 THR 18 5.155 -3.483 5.474 152 1HG2 THR 18 HG21 THR 18 6.939 -4.209 2.529 153 2HG2 THR 18 HG22 THR 18 8.168 -4.216 3.796 154 3HG2 THR 18 HG23 THR 18 8.034 -2.835 2.705 155 H GLU 19 HN GLU 19 9.271 -3.546 5.425 156 HA GLU 19 HA GLU 19 11.160 -1.535 4.245 157 1HB GLU 19 HB2 GLU 19 11.372 -1.793 6.704 158 2HB GLU 19 HB1 GLU 19 11.594 -3.530 6.496 159 1HG GLU 19 HG2 GLU 19 13.396 -1.834 4.868 160 2HG GLU 19 HG1 GLU 19 13.653 -1.739 6.611 161 H ALA 20 HN ALA 20 11.914 -2.352 2.324 162 HA ALA 20 HA ALA 20 12.779 -5.178 2.164 163 1HB ALA 20 HB1 ALA 20 10.354 -3.985 0.887 164 2HB ALA 20 HB2 ALA 20 10.599 -5.615 1.517 165 3HB ALA 20 HB3 ALA 20 11.275 -5.164 -0.048 166 H VAL 21 HN VAL 21 13.526 -5.558 -0.256 167 HA VAL 21 HA VAL 21 15.668 -3.791 -0.853 168 HB VAL 21 HB VAL 21 15.762 -5.091 -2.968 169 1HG1 VAL 21 HG11 VAL 21 15.368 -6.350 -0.301 170 2HG1 VAL 21 HG12 VAL 21 16.773 -6.380 -1.365 171 3HG1 VAL 21 HG13 VAL 21 15.397 -7.433 -1.692 172 1HG2 VAL 21 HG21 VAL 21 12.963 -5.840 -2.116 173 2HG2 VAL 21 HG22 VAL 21 13.918 -6.940 -3.107 174 3HG2 VAL 21 HG23 VAL 21 13.538 -5.325 -3.701 175 H ASP 22 HN ASP 22 12.380 -3.948 -2.220 176 HA ASP 22 HA ASP 22 12.641 -1.145 -3.153 177 1HB ASP 22 HB2 ASP 22 11.978 -3.512 -4.941 178 2HB ASP 22 HB1 ASP 22 11.929 -1.821 -5.438 179 H ALA 23 HN ALA 23 10.472 -0.292 -3.811 180 HA ALA 23 HA ALA 23 8.385 -1.044 -1.995 181 1HB ALA 23 HB1 ALA 23 8.634 0.665 -4.465 182 2HB ALA 23 HB2 ALA 23 8.352 1.168 -2.798 183 3HB ALA 23 HB3 ALA 23 7.052 0.421 -3.725 184 H ALA 24 HN ALA 24 9.188 -2.105 -5.249 185 HA ALA 24 HA ALA 24 6.700 -3.262 -6.035 186 1HB ALA 24 HB1 ALA 24 8.852 -2.890 -7.365 187 2HB ALA 24 HB2 ALA 24 8.059 -4.442 -7.633 188 3HB ALA 24 HB3 ALA 24 9.477 -4.346 -6.589 189 H THR 25 HN THR 25 9.457 -4.661 -4.244 190 HA THR 25 HA THR 25 8.262 -7.260 -3.846 191 HB THR 25 HB THR 25 10.475 -5.682 -2.492 192 HG1 THR 25 HG1 THR 25 11.710 -7.288 -3.648 193 1HG2 THR 25 HG21 THR 25 11.168 -7.758 -1.396 194 2HG2 THR 25 HG22 THR 25 9.798 -8.614 -2.103 195 3HG2 THR 25 HG23 THR 25 9.523 -7.348 -0.902 196 H ALA 26 HN ALA 26 8.583 -4.394 -1.706 197 HA ALA 26 HA ALA 26 7.186 -5.456 0.529 198 1HB ALA 26 HB1 ALA 26 6.760 -2.948 0.963 199 2HB ALA 26 HB2 ALA 26 7.577 -2.664 -0.580 200 3HB ALA 26 HB3 ALA 26 8.445 -3.433 0.748 201 H GLU 27 HN GLU 27 5.929 -3.247 -1.992 202 HA GLU 27 HA GLU 27 3.266 -3.052 -1.359 203 1HB GLU 27 HB2 GLU 27 4.456 -2.037 -3.294 204 2HB GLU 27 HB1 GLU 27 4.415 -3.597 -4.116 205 1HG GLU 27 HG2 GLU 27 1.845 -3.484 -3.711 206 2HG GLU 27 HG1 GLU 27 2.123 -1.762 -3.444 207 H LYS 28 HN LYS 28 4.789 -5.935 -2.792 208 HA LYS 28 HA LYS 28 2.362 -7.369 -3.411 209 1HB LYS 28 HB2 LYS 28 5.137 -8.318 -2.587 210 2HB LYS 28 HB1 LYS 28 3.910 -9.331 -3.347 211 1HG LYS 28 HG2 LYS 28 4.095 -8.254 -5.401 212 2HG LYS 28 HG1 LYS 28 4.713 -6.767 -4.681 213 1HD LYS 28 HD2 LYS 28 6.707 -7.572 -5.486 214 2HD LYS 28 HD1 LYS 28 6.691 -8.452 -3.958 215 1HE LYS 28 HE2 LYS 28 5.258 -9.716 -6.256 216 2HE LYS 28 HE1 LYS 28 7.033 -9.733 -6.288 217 1HZ LYS 28 HZ1 LYS 28 6.143 -11.631 -5.049 218 2HZ LYS 28 HZ2 LYS 28 5.350 -10.570 -3.984 219 3HZ LYS 28 HZ3 LYS 28 7.047 -10.606 -4.045 220 H VAL 29 HN VAL 29 4.481 -7.282 -0.548 221 HA VAL 29 HA VAL 29 2.886 -9.073 1.084 222 HB VAL 29 HB VAL 29 5.023 -6.966 1.540 223 1HG1 VAL 29 HG11 VAL 29 5.143 -7.636 3.904 224 2HG1 VAL 29 HG12 VAL 29 3.758 -8.706 3.686 225 3HG1 VAL 29 HG13 VAL 29 3.553 -6.956 3.544 226 1HG2 VAL 29 HG21 VAL 29 5.505 -9.255 0.533 227 2HG2 VAL 29 HG22 VAL 29 5.055 -9.940 2.095 228 3HG2 VAL 29 HG23 VAL 29 6.435 -8.849 1.976 229 H LEU 30 HN LEU 30 2.949 -5.549 0.551 230 HA LEU 30 HA LEU 30 1.102 -4.865 2.633 231 1HB LEU 30 HB2 LEU 30 1.999 -3.626 0.027 232 2HB LEU 30 HB1 LEU 30 0.797 -2.829 1.027 233 HG LEU 30 HG LEU 30 3.341 -2.215 1.293 234 1HD1 LEU 30 HD11 LEU 30 1.465 -2.730 3.598 235 2HD1 LEU 30 HD12 LEU 30 1.704 -1.220 2.714 236 3HD1 LEU 30 HD13 LEU 30 2.988 -1.846 3.758 237 1HD2 LEU 30 HD21 LEU 30 3.172 -4.764 2.906 238 2HD2 LEU 30 HD22 LEU 30 4.339 -3.503 3.225 239 3HD2 LEU 30 HD23 LEU 30 4.351 -4.321 1.677 240 H LYS 31 HN LYS 31 0.732 -6.032 -0.667 241 HA LYS 31 HA LYS 31 -2.090 -5.541 -1.021 242 1HB LYS 31 HB2 LYS 31 -0.119 -6.440 -2.596 243 2HB LYS 31 HB1 LYS 31 -0.676 -7.996 -2.031 244 1HG LYS 31 HG2 LYS 31 -2.599 -5.952 -3.146 245 2HG LYS 31 HG1 LYS 31 -1.750 -7.087 -4.194 246 1HD LYS 31 HD2 LYS 31 -3.566 -7.823 -1.875 247 2HD LYS 31 HD1 LYS 31 -3.953 -7.988 -3.586 248 1HE LYS 31 HE2 LYS 31 -1.474 -9.303 -3.255 249 2HE LYS 31 HE1 LYS 31 -2.481 -9.819 -1.883 250 1HZ LYS 31 HZ1 LYS 31 -3.358 -9.775 -4.728 251 2HZ LYS 31 HZ2 LYS 31 -4.284 -10.301 -3.404 252 3HZ LYS 31 HZ3 LYS 31 -2.902 -11.169 -3.877 253 H GLN 32 HN GLN 32 -0.198 -8.258 0.255 254 HA GLN 32 HA GLN 32 -2.274 -10.085 0.870 255 1HB GLN 32 HB2 GLN 32 0.490 -9.489 1.742 256 2HB GLN 32 HB1 GLN 32 -0.476 -10.450 2.861 257 1HG GLN 32 HG2 GLN 32 -1.074 -11.947 0.908 258 2HG GLN 32 HG1 GLN 32 0.140 -11.078 -0.031 259 1HE2 GLN 32 HE21 GLN 32 2.420 -11.083 0.941 260 2HE2 GLN 32 HE22 GLN 32 2.907 -12.463 1.817 261 H TYR 33 HN TYR 33 -0.994 -7.329 2.717 262 HA TYR 33 HA TYR 33 -2.594 -7.677 5.099 263 1HB TYR 33 HB2 TYR 33 -0.598 -6.250 4.968 264 2HB TYR 33 HB1 TYR 33 -1.375 -5.234 3.754 265 HD1 TYR 33 HD1 TYR 33 -1.564 -6.384 7.268 266 HD2 TYR 33 HD2 TYR 33 -2.893 -3.505 4.377 267 HE1 TYR 33 HE1 TYR 33 -2.604 -5.061 9.074 268 HE2 TYR 33 HE2 TYR 33 -3.931 -2.170 6.187 269 HH TYR 33 HH TYR 33 -4.856 -2.717 8.580 270 H ILE 34 HN ILE 34 -3.093 -6.086 1.989 271 HA ILE 34 HA ILE 34 -5.647 -4.852 2.652 272 HB ILE 34 HB ILE 34 -4.291 -5.563 0.033 273 1HG1 ILE 34 HG12 ILE 34 -3.107 -4.024 1.754 274 2HG1 ILE 34 HG11 ILE 34 -3.237 -3.456 0.097 275 1HG2 ILE 34 HG21 ILE 34 -5.773 -3.459 -0.641 276 2HG2 ILE 34 HG22 ILE 34 -6.786 -4.056 0.673 277 3HG2 ILE 34 HG23 ILE 34 -6.422 -5.099 -0.702 278 1HD1 ILE 34 HD11 ILE 34 -5.200 -2.717 2.286 279 2HD1 ILE 34 HD12 ILE 34 -5.083 -2.010 0.674 280 3HD1 ILE 34 HD13 ILE 34 -3.802 -1.730 1.855 281 H ASN 35 HN ASN 35 -4.731 -8.094 2.096 282 HA ASN 35 HA ASN 35 -7.059 -9.015 0.623 283 1HB ASN 35 HB2 ASN 35 -4.752 -10.071 0.789 284 2HB ASN 35 HB1 ASN 35 -5.174 -10.555 2.432 285 1HD2 ASN 35 HD21 ASN 35 -5.725 -12.741 2.377 286 2HD2 ASN 35 HD22 ASN 35 -6.721 -13.464 1.208 287 H ASP 36 HN ASP 36 -6.310 -8.438 4.004 288 HA ASP 36 HA ASP 36 -8.505 -10.051 5.071 289 1HB ASP 36 HB2 ASP 36 -6.359 -9.535 6.245 290 2HB ASP 36 HB1 ASP 36 -6.835 -7.837 6.310 291 H ASN 37 HN ASN 37 -7.896 -6.513 5.182 292 HA ASN 37 HA ASN 37 -10.524 -5.749 5.941 293 1HB ASN 37 HB2 ASN 37 -9.796 -3.518 5.140 294 2HB ASN 37 HB1 ASN 37 -8.512 -4.320 6.045 295 1HD2 ASN 37 HD21 ASN 37 -8.201 -2.233 3.937 296 2HD2 ASN 37 HD22 ASN 37 -7.249 -2.944 2.713 297 H GLY 38 HN GLY 38 -9.216 -6.587 2.791 298 1HA GLY 38 HA2 GLY 38 -10.366 -7.072 0.793 299 2HA GLY 38 HA1 GLY 38 -11.881 -6.791 1.651 300 H ILE 39 HN ILE 39 -9.054 -4.750 0.811 301 HA ILE 39 HA ILE 39 -10.944 -2.843 -0.520 302 HB ILE 39 HB ILE 39 -8.726 -2.229 1.466 303 1HG1 ILE 39 HG12 ILE 39 -10.767 -3.134 2.521 304 2HG1 ILE 39 HG11 ILE 39 -10.573 -1.420 2.899 305 1HG2 ILE 39 HG21 ILE 39 -8.897 -0.496 -0.269 306 2HG2 ILE 39 HG22 ILE 39 -9.512 0.114 1.268 307 3HG2 ILE 39 HG23 ILE 39 -10.636 -0.381 0.002 308 1HD1 ILE 39 HD11 ILE 39 -12.640 -1.055 2.084 309 2HD1 ILE 39 HD12 ILE 39 -12.772 -2.735 1.568 310 3HD1 ILE 39 HD13 ILE 39 -12.063 -1.535 0.488 311 H ASP 40 HN ASP 40 -10.075 -3.782 -2.534 312 HA ASP 40 HA ASP 40 -7.299 -2.819 -3.157 313 1HB ASP 40 HB2 ASP 40 -7.565 -5.302 -2.888 314 2HB ASP 40 HB1 ASP 40 -8.734 -5.278 -4.213 315 H GLY 41 HN GLY 41 -7.159 -1.556 -4.997 316 1HA GLY 41 HA2 GLY 41 -9.044 -1.761 -7.193 317 2HA GLY 41 HA1 GLY 41 -9.341 -0.325 -6.208 318 H GLU 42 HN GLU 42 -7.623 1.275 -6.048 319 HA GLU 42 HA GLU 42 -5.599 1.071 -8.255 320 1HB GLU 42 HB2 GLU 42 -7.806 2.804 -7.946 321 2HB GLU 42 HB1 GLU 42 -6.397 3.782 -7.538 322 1HG GLU 42 HG2 GLU 42 -6.124 2.053 -9.938 323 2HG GLU 42 HG1 GLU 42 -7.244 3.408 -10.083 324 H TRP 43 HN TRP 43 -3.557 1.096 -7.440 325 HA TRP 43 HA TRP 43 -3.083 2.290 -4.749 326 1HB TRP 43 HB2 TRP 43 -1.612 0.323 -6.516 327 2HB TRP 43 HB1 TRP 43 -0.876 1.015 -5.083 328 HD1 TRP 43 HD1 TRP 43 -4.584 -0.035 -5.242 329 HE1 TRP 43 HE1 TRP 43 -4.925 -1.964 -3.577 330 HE3 TRP 43 HE3 TRP 43 0.226 -0.778 -3.809 331 HZ2 TRP 43 HZ2 TRP 43 -3.354 -3.584 -1.823 332 HZ3 TRP 43 HZ3 TRP 43 0.791 -2.511 -2.117 333 HH2 TRP 43 HH2 TRP 43 -0.992 -3.909 -1.128 334 H THR 44 HN THR 44 -3.132 4.526 -5.740 335 HA THR 44 HA THR 44 -1.263 5.363 -7.752 336 HB THR 44 HB THR 44 -1.777 7.611 -6.850 337 HG1 THR 44 HG1 THR 44 -2.691 7.843 -4.919 338 1HG2 THR 44 HG21 THR 44 -4.401 6.264 -6.563 339 2HG2 THR 44 HG22 THR 44 -3.516 5.901 -8.045 340 3HG2 THR 44 HG23 THR 44 -3.918 7.571 -7.644 341 H TYR 45 HN TYR 45 0.911 5.731 -7.595 342 HA TYR 45 HA TYR 45 2.241 5.315 -4.969 343 1HB TYR 45 HB2 TYR 45 2.946 4.070 -6.987 344 2HB TYR 45 HB1 TYR 45 3.272 5.590 -7.818 345 HD1 TYR 45 HD1 TYR 45 5.521 6.138 -7.948 346 HD2 TYR 45 HD2 TYR 45 4.067 4.119 -4.448 347 HE1 TYR 45 HE1 TYR 45 7.800 6.189 -6.972 348 HE2 TYR 45 HE2 TYR 45 6.346 4.168 -3.472 349 HH TYR 45 HH TYR 45 9.058 4.666 -5.165 350 H ASP 46 HN ASP 46 4.096 6.873 -4.451 351 HA ASP 46 HA ASP 46 3.686 9.620 -5.566 352 1HB ASP 46 HB2 ASP 46 3.896 8.934 -2.613 353 2HB ASP 46 HB1 ASP 46 3.622 10.530 -3.303 354 H ASP 47 HN ASP 47 5.628 10.524 -6.080 355 HA ASP 47 HA ASP 47 8.134 9.168 -5.470 356 1HB ASP 47 HB2 ASP 47 9.068 11.062 -6.780 357 2HB ASP 47 HB1 ASP 47 7.686 10.329 -7.592 358 H ALA 48 HN ALA 48 6.229 11.255 -3.614 359 HA ALA 48 HA ALA 48 8.033 13.102 -2.454 360 1HB ALA 48 HB1 ALA 48 5.808 13.391 -1.850 361 2HB ALA 48 HB2 ALA 48 6.390 12.551 -0.413 362 3HB ALA 48 HB3 ALA 48 5.528 11.657 -1.668 363 H THR 49 HN THR 49 6.953 10.168 -0.747 364 HA THR 49 HA THR 49 9.777 9.664 0.122 365 HB THR 49 HB THR 49 8.473 10.899 1.841 366 HG1 THR 49 HG1 THR 49 9.888 9.516 2.739 367 1HG2 THR 49 HG21 THR 49 6.610 8.521 1.624 368 2HG2 THR 49 HG22 THR 49 6.230 10.185 1.181 369 3HG2 THR 49 HG23 THR 49 6.507 9.764 2.873 370 H LYS 50 HN LYS 50 8.286 8.364 -1.985 371 HA LYS 50 HA LYS 50 7.754 6.215 -2.747 372 1HB LYS 50 HB2 LYS 50 9.160 5.422 -0.174 373 2HB LYS 50 HB1 LYS 50 8.887 4.377 -1.566 374 1HG LYS 50 HG2 LYS 50 10.106 6.499 -2.769 375 2HG LYS 50 HG1 LYS 50 10.885 6.529 -1.187 376 1HD LYS 50 HD2 LYS 50 10.609 3.903 -2.603 377 2HD LYS 50 HD1 LYS 50 11.865 5.023 -3.131 378 1HE LYS 50 HE2 LYS 50 11.556 4.403 -0.196 379 2HE LYS 50 HE1 LYS 50 12.463 3.302 -1.253 380 1HZ LYS 50 HZ1 LYS 50 13.662 5.299 -2.095 381 2HZ LYS 50 HZ2 LYS 50 13.983 4.938 -0.466 382 3HZ LYS 50 HZ3 LYS 50 12.929 6.209 -0.866 383 H THR 51 HN THR 51 5.719 7.586 -1.319 384 HA THR 51 HA THR 51 4.470 5.711 0.578 385 HB THR 51 HB THR 51 3.493 8.252 -0.779 386 HG1 THR 51 HG1 THR 51 4.389 9.283 0.848 387 1HG2 THR 51 HG21 THR 51 2.021 8.226 1.382 388 2HG2 THR 51 HG22 THR 51 2.368 6.495 1.389 389 3HG2 THR 51 HG23 THR 51 1.543 7.224 0.011 390 H TRP 52 HN TRP 52 2.156 5.000 0.090 391 HA TRP 52 HA TRP 52 1.715 4.480 -2.825 392 1HB TRP 52 HB2 TRP 52 1.877 2.594 -0.484 393 2HB TRP 52 HB1 TRP 52 0.935 2.179 -1.909 394 HD1 TRP 52 HD1 TRP 52 4.473 2.468 -0.663 395 HE1 TRP 52 HE1 TRP 52 6.089 1.691 -2.523 396 HE3 TRP 52 HE3 TRP 52 1.197 2.078 -4.505 397 HZ2 TRP 52 HZ2 TRP 52 5.978 0.986 -5.309 398 HZ3 TRP 52 HZ3 TRP 52 1.949 1.351 -6.764 399 HH2 TRP 52 HH2 TRP 52 4.337 0.803 -7.165 400 H THR 53 HN THR 53 -0.584 3.142 -2.782 401 HA THR 53 HA THR 53 -2.504 4.279 -0.862 402 HB THR 53 HB THR 53 -2.951 4.831 -3.791 403 HG1 THR 53 HG1 THR 53 -1.113 5.913 -3.585 404 1HG2 THR 53 HG21 THR 53 -3.994 6.916 -2.491 405 2HG2 THR 53 HG22 THR 53 -4.019 5.753 -1.165 406 3HG2 THR 53 HG23 THR 53 -4.876 5.399 -2.665 407 H VAL 54 HN VAL 54 -4.843 3.577 -1.792 408 HA VAL 54 HA VAL 54 -5.056 1.273 -3.492 409 HB VAL 54 HB VAL 54 -3.759 0.122 -1.807 410 1HG1 VAL 54 HG11 VAL 54 -5.467 1.698 0.055 411 2HG1 VAL 54 HG12 VAL 54 -3.736 1.372 0.116 412 3HG1 VAL 54 HG13 VAL 54 -4.885 0.126 0.600 413 1HG2 VAL 54 HG21 VAL 54 -6.167 -0.812 -2.550 414 2HG2 VAL 54 HG22 VAL 54 -6.459 -0.669 -0.818 415 3HG2 VAL 54 HG23 VAL 54 -5.137 -1.681 -1.406 416 H THR 55 HN THR 55 -6.802 2.867 -3.982 417 HA THR 55 HA THR 55 -8.987 3.202 -2.044 418 HB THR 55 HB THR 55 -8.943 3.854 -5.000 419 HG1 THR 55 HG1 THR 55 -7.311 5.074 -4.551 420 1HG2 THR 55 HG21 THR 55 -10.244 5.165 -2.595 421 2HG2 THR 55 HG22 THR 55 -11.069 4.176 -3.800 422 3HG2 THR 55 HG23 THR 55 -10.371 5.729 -4.262 423 H GLU 56 HN GLU 56 -10.861 1.982 -1.998 424 HA GLU 56 HA GLU 56 -11.011 -0.550 -3.360 425 1HB GLU 56 HB2 GLU 56 -12.081 0.380 -1.149 426 2HB GLU 56 HB1 GLU 56 -13.381 0.914 -2.215 427 1HG GLU 56 HG2 GLU 56 -13.218 -1.566 -3.128 428 2HG GLU 56 HG1 GLU 56 -12.506 -1.872 -1.543 Start of MODEL 15 1 1H THR 1 HT1 THR 1 14.938 5.217 5.117 2 2H THR 1 HT2 THR 1 15.135 6.847 4.680 3 3H THR 1 HT3 THR 1 15.141 5.638 3.487 4 HA THR 1 HA THR 1 12.831 6.573 5.103 5 HB THR 1 HB THR 1 13.212 6.325 2.114 6 HG1 THR 1 HG1 THR 1 13.859 8.502 3.812 7 1HG2 THR 1 HG21 THR 1 11.485 8.057 2.064 8 2HG2 THR 1 HG22 THR 1 11.492 8.141 3.825 9 3HG2 THR 1 HG23 THR 1 10.925 6.681 3.014 10 H THR 2 HN THR 2 10.809 5.397 4.543 11 HA THR 2 HA THR 2 11.285 2.559 3.691 12 HB THR 2 HB THR 2 9.463 3.564 5.901 13 HG1 THR 2 HG1 THR 2 11.079 2.658 7.256 14 1HG2 THR 2 HG21 THR 2 8.754 1.445 4.890 15 2HG2 THR 2 HG22 THR 2 9.386 1.164 6.513 16 3HG2 THR 2 HG23 THR 2 10.376 0.786 5.103 17 H PHE 3 HN PHE 3 9.507 1.587 2.582 18 HA PHE 3 HA PHE 3 7.939 3.284 0.894 19 1HB PHE 3 HB2 PHE 3 7.593 0.375 1.706 20 2HB PHE 3 HB1 PHE 3 6.839 1.129 0.301 21 HD1 PHE 3 HD1 PHE 3 8.807 2.731 -0.962 22 HD2 PHE 3 HD2 PHE 3 9.365 -1.015 1.075 23 HE1 PHE 3 HE1 PHE 3 10.862 2.315 -2.286 24 HE2 PHE 3 HE2 PHE 3 11.419 -1.426 -0.250 25 HZ PHE 3 HZ PHE 3 12.167 0.238 -1.929 26 H LYS 4 HN LYS 4 5.588 3.568 0.912 27 HA LYS 4 HA LYS 4 4.235 3.092 3.536 28 1HB LYS 4 HB2 LYS 4 5.359 5.383 3.322 29 2HB LYS 4 HB1 LYS 4 4.193 5.729 2.053 30 1HG LYS 4 HG2 LYS 4 2.336 5.347 3.593 31 2HG LYS 4 HG1 LYS 4 3.462 4.914 4.876 32 1HD LYS 4 HD2 LYS 4 4.018 7.082 5.302 33 2HD LYS 4 HD1 LYS 4 3.995 7.525 3.596 34 1HE LYS 4 HE2 LYS 4 1.895 8.361 3.778 35 2HE LYS 4 HE1 LYS 4 1.309 6.868 4.538 36 1HZ LYS 4 HZ1 LYS 4 2.287 7.572 6.624 37 2HZ LYS 4 HZ2 LYS 4 1.200 8.754 6.071 38 3HZ LYS 4 HZ3 LYS 4 2.874 8.993 5.909 39 H LEU 5 HN LEU 5 1.911 3.089 3.357 40 HA LEU 5 HA LEU 5 0.682 3.427 0.686 41 1HB LEU 5 HB2 LEU 5 1.664 1.001 1.214 42 2HB LEU 5 HB1 LEU 5 0.164 0.848 2.121 43 HG LEU 5 HG LEU 5 -0.305 2.053 -0.498 44 1HD1 LEU 5 HD11 LEU 5 1.738 0.432 -0.831 45 2HD1 LEU 5 HD12 LEU 5 0.374 0.361 -1.954 46 3HD1 LEU 5 HD13 LEU 5 0.517 -0.835 -0.655 47 1HD2 LEU 5 HD21 LEU 5 -1.834 -0.065 -0.555 48 2HD2 LEU 5 HD22 LEU 5 -2.180 1.203 0.621 49 3HD2 LEU 5 HD23 LEU 5 -1.336 -0.262 1.125 50 H ILE 6 HN ILE 6 -1.340 4.281 0.960 51 HA ILE 6 HA ILE 6 -2.467 4.360 3.722 52 HB ILE 6 HB ILE 6 -2.917 5.972 1.195 53 1HG1 ILE 6 HG12 ILE 6 -0.726 6.297 2.309 54 2HG1 ILE 6 HG11 ILE 6 -1.730 7.742 2.423 55 1HG2 ILE 6 HG21 ILE 6 -4.923 6.440 2.175 56 2HG2 ILE 6 HG22 ILE 6 -3.954 7.486 3.213 57 3HG2 ILE 6 HG23 ILE 6 -4.394 5.867 3.758 58 1HD1 ILE 6 HD11 ILE 6 -2.403 6.229 4.689 59 2HD1 ILE 6 HD12 ILE 6 -1.392 7.674 4.654 60 3HD1 ILE 6 HD13 ILE 6 -0.651 6.078 4.551 61 H ILE 7 HN ILE 7 -4.488 3.490 4.148 62 HA ILE 7 HA ILE 7 -5.664 1.703 2.116 63 HB ILE 7 HB ILE 7 -6.367 2.311 5.007 64 1HG1 ILE 7 HG12 ILE 7 -4.087 1.400 4.746 65 2HG1 ILE 7 HG11 ILE 7 -5.150 0.214 5.500 66 1HG2 ILE 7 HG21 ILE 7 -7.566 0.145 4.917 67 2HG2 ILE 7 HG22 ILE 7 -7.191 0.019 3.198 68 3HG2 ILE 7 HG23 ILE 7 -8.245 1.309 3.778 69 1HD1 ILE 7 HD11 ILE 7 -3.813 -0.891 3.785 70 2HD1 ILE 7 HD12 ILE 7 -4.322 0.293 2.581 71 3HD1 ILE 7 HD13 ILE 7 -5.495 -0.839 3.256 72 H ASN 8 HN ASN 8 -7.234 2.454 0.764 73 HA ASN 8 HA ASN 8 -8.975 4.714 1.698 74 1HB ASN 8 HB2 ASN 8 -7.821 3.906 -0.977 75 2HB ASN 8 HB1 ASN 8 -9.183 5.020 -0.867 76 1HD2 ASN 8 HD21 ASN 8 -7.745 6.748 -1.733 77 2HD2 ASN 8 HD22 ASN 8 -6.609 7.500 -0.705 78 H GLY 9 HN GLY 9 -9.803 2.257 2.521 79 1HA GLY 9 HA2 GLY 9 -11.533 0.986 0.524 80 2HA GLY 9 HA1 GLY 9 -11.409 0.535 2.228 81 H LYS 10 HN LYS 10 -13.897 0.787 0.901 82 HA LYS 10 HA LYS 10 -15.242 3.245 1.103 83 1HB LYS 10 HB2 LYS 10 -16.148 0.393 1.577 84 2HB LYS 10 HB1 LYS 10 -17.259 1.749 1.385 85 1HG LYS 10 HG2 LYS 10 -16.376 2.210 -0.843 86 2HG LYS 10 HG1 LYS 10 -15.167 0.938 -0.655 87 1HD LYS 10 HD2 LYS 10 -16.786 -0.248 -1.799 88 2HD LYS 10 HD1 LYS 10 -17.330 -0.537 -0.146 89 1HE LYS 10 HE2 LYS 10 -18.592 1.820 -0.644 90 2HE LYS 10 HE1 LYS 10 -18.579 1.113 -2.272 91 1HZ LYS 10 HZ1 LYS 10 -20.485 0.372 -0.885 92 2HZ LYS 10 HZ2 LYS 10 -19.382 -0.365 0.176 93 3HZ LYS 10 HZ3 LYS 10 -19.508 -0.903 -1.431 94 H THR 11 HN THR 11 -14.257 1.033 3.640 95 HA THR 11 HA THR 11 -15.413 2.908 5.674 96 HB THR 11 HB THR 11 -15.363 -0.126 5.770 97 HG1 THR 11 HG1 THR 11 -17.188 -0.028 4.769 98 1HG2 THR 11 HG21 THR 11 -17.012 0.334 7.663 99 2HG2 THR 11 HG22 THR 11 -16.479 2.014 7.589 100 3HG2 THR 11 HG23 THR 11 -15.328 0.740 7.992 101 H LEU 12 HN LEU 12 -13.071 0.281 5.052 102 HA LEU 12 HA LEU 12 -11.507 0.819 7.456 103 1HB LEU 12 HB2 LEU 12 -11.029 -0.776 4.919 104 2HB LEU 12 HB1 LEU 12 -9.957 -0.815 6.320 105 HG LEU 12 HG LEU 12 -12.898 -1.340 6.667 106 1HD1 LEU 12 HD11 LEU 12 -12.155 -3.826 6.504 107 2HD1 LEU 12 HD12 LEU 12 -10.796 -3.202 5.570 108 3HD1 LEU 12 HD13 LEU 12 -12.446 -2.947 5.004 109 1HD2 LEU 12 HD21 LEU 12 -11.822 -2.870 8.460 110 2HD2 LEU 12 HD22 LEU 12 -11.739 -1.128 8.723 111 3HD2 LEU 12 HD23 LEU 12 -10.330 -1.996 8.115 112 H LYS 13 HN LYS 13 -9.459 1.858 7.545 113 HA LYS 13 HA LYS 13 -8.232 3.035 5.158 114 1HB LYS 13 HB2 LYS 13 -10.222 4.441 6.771 115 2HB LYS 13 HB1 LYS 13 -8.690 5.312 6.737 116 1HG LYS 13 HG2 LYS 13 -8.786 5.676 4.458 117 2HG LYS 13 HG1 LYS 13 -9.728 4.216 4.157 118 1HD LYS 13 HD2 LYS 13 -11.728 5.257 4.562 119 2HD LYS 13 HD1 LYS 13 -11.049 6.302 5.810 120 1HE LYS 13 HE2 LYS 13 -10.123 6.749 2.999 121 2HE LYS 13 HE1 LYS 13 -11.754 7.299 3.433 122 1HZ LYS 13 HZ1 LYS 13 -10.839 8.422 5.359 123 2HZ LYS 13 HZ2 LYS 13 -10.084 8.989 3.946 124 3HZ LYS 13 HZ3 LYS 13 -9.276 7.894 4.964 125 H GLY 14 HN GLY 14 -6.466 4.729 6.068 126 1HA GLY 14 HA2 GLY 14 -5.233 5.099 8.324 127 2HA GLY 14 HA1 GLY 14 -5.113 3.339 8.332 128 H GLU 15 HN GLU 15 -2.779 3.540 8.281 129 HA GLU 15 HA GLU 15 -1.734 3.916 5.518 130 1HB GLU 15 HB2 GLU 15 0.077 5.357 6.422 131 2HB GLU 15 HB1 GLU 15 -1.511 6.071 6.694 132 1HG GLU 15 HG2 GLU 15 -1.279 4.648 8.978 133 2HG GLU 15 HG1 GLU 15 0.427 4.959 8.657 134 H THR 16 HN THR 16 0.484 2.962 5.304 135 HA THR 16 HA THR 16 1.455 1.239 7.490 136 HB THR 16 HB THR 16 -0.416 -0.048 6.553 137 HG1 THR 16 HG1 THR 16 0.903 -1.615 6.930 138 1HG2 THR 16 HG21 THR 16 1.008 0.502 3.944 139 2HG2 THR 16 HG22 THR 16 -0.683 0.791 4.356 140 3HG2 THR 16 HG23 THR 16 -0.103 -0.857 4.124 141 H THR 17 HN THR 17 3.598 0.527 7.114 142 HA THR 17 HA THR 17 4.844 1.297 4.499 143 HB THR 17 HB THR 17 6.773 2.136 5.883 144 HG1 THR 17 HG1 THR 17 6.655 1.438 7.862 145 1HG2 THR 17 HG21 THR 17 5.314 3.815 5.050 146 2HG2 THR 17 HG22 THR 17 5.491 4.175 6.767 147 3HG2 THR 17 HG23 THR 17 4.035 3.374 6.180 148 H THR 18 HN THR 18 6.837 0.076 4.053 149 HA THR 18 HA THR 18 7.314 -2.281 5.795 150 HB THR 18 HB THR 18 5.954 -2.161 3.194 151 HG1 THR 18 HG1 THR 18 5.054 -3.359 4.735 152 1HG2 THR 18 HG21 THR 18 7.061 -4.060 2.128 153 2HG2 THR 18 HG22 THR 18 8.272 -4.108 3.410 154 3HG2 THR 18 HG23 THR 18 8.197 -2.723 2.319 155 H GLU 19 HN GLU 19 9.441 -3.246 5.385 156 HA GLU 19 HA GLU 19 11.369 -1.336 4.106 157 1HB GLU 19 HB2 GLU 19 11.500 -1.715 6.582 158 2HB GLU 19 HB1 GLU 19 11.790 -3.427 6.269 159 1HG GLU 19 HG2 GLU 19 13.678 -2.377 4.661 160 2HG GLU 19 HG1 GLU 19 13.598 -1.096 5.872 161 H ALA 20 HN ALA 20 12.038 -2.123 2.139 162 HA ALA 20 HA ALA 20 12.854 -4.969 1.920 163 1HB ALA 20 HB1 ALA 20 10.596 -5.199 1.304 164 2HB ALA 20 HB2 ALA 20 11.393 -4.969 -0.253 165 3HB ALA 20 HB3 ALA 20 10.556 -3.620 0.519 166 H VAL 21 HN VAL 21 13.686 -5.319 -0.447 167 HA VAL 21 HA VAL 21 15.847 -3.548 -0.980 168 HB VAL 21 HB VAL 21 16.016 -4.863 -3.079 169 1HG1 VAL 21 HG11 VAL 21 16.536 -5.775 -0.694 170 2HG1 VAL 21 HG12 VAL 21 16.461 -6.917 -2.036 171 3HG1 VAL 21 HG13 VAL 21 15.093 -6.761 -0.934 172 1HG2 VAL 21 HG21 VAL 21 14.183 -6.710 -3.287 173 2HG2 VAL 21 HG22 VAL 21 13.814 -5.094 -3.886 174 3HG2 VAL 21 HG23 VAL 21 13.190 -5.617 -2.323 175 H ASP 22 HN ASP 22 12.601 -3.729 -2.430 176 HA ASP 22 HA ASP 22 12.876 -0.932 -3.381 177 1HB ASP 22 HB2 ASP 22 12.253 -3.317 -5.159 178 2HB ASP 22 HB1 ASP 22 12.213 -1.631 -5.673 179 H ALA 23 HN ALA 23 10.698 -0.140 -4.184 180 HA ALA 23 HA ALA 23 8.586 -0.866 -2.364 181 1HB ALA 23 HB1 ALA 23 7.809 0.498 -4.853 182 2HB ALA 23 HB2 ALA 23 9.222 1.218 -4.081 183 3HB ALA 23 HB3 ALA 23 7.710 1.069 -3.187 184 H ALA 24 HN ALA 24 9.457 -1.943 -5.594 185 HA ALA 24 HA ALA 24 6.982 -3.105 -6.420 186 1HB ALA 24 HB1 ALA 24 8.502 -4.503 -7.843 187 2HB ALA 24 HB2 ALA 24 9.872 -3.909 -6.905 188 3HB ALA 24 HB3 ALA 24 8.922 -2.791 -7.884 189 H THR 25 HN THR 25 9.721 -4.505 -4.601 190 HA THR 25 HA THR 25 8.524 -7.100 -4.205 191 HB THR 25 HB THR 25 10.712 -5.511 -2.822 192 HG1 THR 25 HG1 THR 25 11.803 -6.261 -4.421 193 1HG2 THR 25 HG21 THR 25 11.394 -7.582 -1.709 194 2HG2 THR 25 HG22 THR 25 10.036 -8.444 -2.432 195 3HG2 THR 25 HG23 THR 25 9.741 -7.174 -1.240 196 H ALA 26 HN ALA 26 8.796 -4.222 -2.069 197 HA ALA 26 HA ALA 26 7.376 -5.286 0.150 198 1HB ALA 26 HB1 ALA 26 7.759 -2.496 -0.966 199 2HB ALA 26 HB2 ALA 26 8.614 -3.252 0.378 200 3HB ALA 26 HB3 ALA 26 6.923 -2.780 0.565 201 H GLU 27 HN GLU 27 6.128 -3.074 -2.370 202 HA GLU 27 HA GLU 27 3.459 -2.904 -1.780 203 1HB GLU 27 HB2 GLU 27 4.669 -1.880 -3.696 204 2HB GLU 27 HB1 GLU 27 4.656 -3.440 -4.519 205 1HG GLU 27 HG2 GLU 27 2.082 -3.355 -4.175 206 2HG GLU 27 HG1 GLU 27 2.331 -1.634 -3.877 207 H LYS 28 HN LYS 28 5.006 -5.779 -3.214 208 HA LYS 28 HA LYS 28 2.586 -7.217 -3.849 209 1HB LYS 28 HB2 LYS 28 5.350 -8.181 -3.004 210 2HB LYS 28 HB1 LYS 28 4.131 -9.173 -3.806 211 1HG LYS 28 HG2 LYS 28 4.365 -8.063 -5.836 212 2HG LYS 28 HG1 LYS 28 4.970 -6.590 -5.078 213 1HD LYS 28 HD2 LYS 28 6.975 -7.396 -5.871 214 2HD LYS 28 HD1 LYS 28 6.935 -8.272 -4.341 215 1HE LYS 28 HE2 LYS 28 6.222 -10.282 -5.372 216 2HE LYS 28 HE1 LYS 28 5.702 -9.439 -6.846 217 1HZ LYS 28 HZ1 LYS 28 7.978 -8.815 -7.281 218 2HZ LYS 28 HZ2 LYS 28 7.883 -10.504 -7.121 219 3HZ LYS 28 HZ3 LYS 28 8.500 -9.560 -5.850 220 H VAL 29 HN VAL 29 4.693 -7.145 -0.978 221 HA VAL 29 HA VAL 29 3.102 -8.948 0.638 222 HB VAL 29 HB VAL 29 5.224 -6.831 1.108 223 1HG1 VAL 29 HG11 VAL 29 3.954 -8.571 3.251 224 2HG1 VAL 29 HG12 VAL 29 3.747 -6.822 3.106 225 3HG1 VAL 29 HG13 VAL 29 5.337 -7.498 3.473 226 1HG2 VAL 29 HG21 VAL 29 6.537 -8.839 1.788 227 2HG2 VAL 29 HG22 VAL 29 5.949 -8.945 0.129 228 3HG2 VAL 29 HG23 VAL 29 5.139 -9.847 1.410 229 H LEU 30 HN LEU 30 3.125 -5.426 0.107 230 HA LEU 30 HA LEU 30 1.269 -4.768 2.192 231 1HB LEU 30 HB2 LEU 30 2.164 -3.507 -0.408 232 2HB LEU 30 HB1 LEU 30 0.954 -2.724 0.595 233 HG LEU 30 HG LEU 30 3.496 -2.095 0.866 234 1HD1 LEU 30 HD11 LEU 30 1.622 -2.625 3.171 235 2HD1 LEU 30 HD12 LEU 30 1.839 -1.116 2.281 236 3HD1 LEU 30 HD13 LEU 30 3.133 -1.720 3.325 237 1HD2 LEU 30 HD21 LEU 30 3.333 -4.646 2.480 238 2HD2 LEU 30 HD22 LEU 30 4.497 -3.380 2.800 239 3HD2 LEU 30 HD23 LEU 30 4.513 -4.199 1.252 240 H LYS 31 HN LYS 31 0.920 -5.908 -1.119 241 HA LYS 31 HA LYS 31 -1.911 -5.457 -1.470 242 1HB LYS 31 HB2 LYS 31 0.080 -6.306 -3.054 243 2HB LYS 31 HB1 LYS 31 -0.462 -7.876 -2.513 244 1HG LYS 31 HG2 LYS 31 -2.402 -5.837 -3.605 245 2HG LYS 31 HG1 LYS 31 -1.541 -6.951 -4.665 246 1HD LYS 31 HD2 LYS 31 -3.351 -7.733 -2.357 247 2HD LYS 31 HD1 LYS 31 -3.738 -7.878 -4.070 248 1HE LYS 31 HE2 LYS 31 -1.245 -9.175 -3.754 249 2HE LYS 31 HE1 LYS 31 -2.251 -9.720 -2.392 250 1HZ LYS 31 HZ1 LYS 31 -3.163 -9.617 -5.224 251 2HZ LYS 31 HZ2 LYS 31 -4.030 -10.238 -3.901 252 3HZ LYS 31 HZ3 LYS 31 -2.628 -11.027 -4.447 253 H GLN 32 HN GLN 32 0.023 -8.162 -0.234 254 HA GLN 32 HA GLN 32 -2.023 -10.029 0.354 255 1HB GLN 32 HB2 GLN 32 0.721 -9.386 1.292 256 2HB GLN 32 HB1 GLN 32 -0.241 -10.448 2.320 257 1HG GLN 32 HG2 GLN 32 -0.573 -12.020 0.539 258 2HG GLN 32 HG1 GLN 32 0.096 -10.902 -0.650 259 1HE2 GLN 32 HE21 GLN 32 2.277 -11.202 -1.121 260 2HE2 GLN 32 HE22 GLN 32 3.389 -12.016 -0.115 261 H TYR 33 HN TYR 33 -0.792 -7.278 2.240 262 HA TYR 33 HA TYR 33 -2.379 -7.693 4.620 263 1HB TYR 33 HB2 TYR 33 -0.416 -6.231 4.526 264 2HB TYR 33 HB1 TYR 33 -1.188 -5.220 3.305 265 HD1 TYR 33 HD1 TYR 33 -1.433 -6.397 6.808 266 HD2 TYR 33 HD2 TYR 33 -2.707 -3.496 3.917 267 HE1 TYR 33 HE1 TYR 33 -2.510 -5.091 8.604 268 HE2 TYR 33 HE2 TYR 33 -3.783 -2.176 5.716 269 HH TYR 33 HH TYR 33 -4.415 -3.393 8.761 270 H ILE 34 HN ILE 34 -2.882 -5.884 1.606 271 HA ILE 34 HA ILE 34 -5.441 -4.733 2.257 272 HB ILE 34 HB ILE 34 -4.139 -5.525 -0.369 273 1HG1 ILE 34 HG12 ILE 34 -2.936 -3.922 1.269 274 2HG1 ILE 34 HG11 ILE 34 -3.123 -3.389 -0.397 275 1HG2 ILE 34 HG21 ILE 34 -6.445 -5.160 -0.846 276 2HG2 ILE 34 HG22 ILE 34 -5.622 -3.665 -1.290 277 3HG2 ILE 34 HG23 ILE 34 -6.520 -3.761 0.225 278 1HD1 ILE 34 HD11 ILE 34 -5.347 -2.660 1.416 279 2HD1 ILE 34 HD12 ILE 34 -4.536 -1.697 0.182 280 3HD1 ILE 34 HD13 ILE 34 -3.803 -1.886 1.774 281 H ASN 35 HN ASN 35 -4.415 -7.870 1.030 282 HA ASN 35 HA ASN 35 -6.873 -8.867 -0.001 283 1HB ASN 35 HB2 ASN 35 -4.513 -9.821 -0.125 284 2HB ASN 35 HB1 ASN 35 -4.760 -10.422 1.515 285 1HD2 ASN 35 HD21 ASN 35 -4.658 -11.725 -1.376 286 2HD2 ASN 35 HD22 ASN 35 -5.979 -12.789 -1.339 287 H ASP 36 HN ASP 36 -5.725 -8.504 3.306 288 HA ASP 36 HA ASP 36 -7.786 -10.207 4.498 289 1HB ASP 36 HB2 ASP 36 -5.468 -9.707 5.398 290 2HB ASP 36 HB1 ASP 36 -6.037 -8.078 5.764 291 H ASN 37 HN ASN 37 -7.177 -6.673 4.452 292 HA ASN 37 HA ASN 37 -9.591 -5.886 5.760 293 1HB ASN 37 HB2 ASN 37 -7.885 -4.485 3.671 294 2HB ASN 37 HB1 ASN 37 -9.055 -3.683 4.724 295 1HD2 ASN 37 HD21 ASN 37 -7.987 -2.673 6.421 296 2HD2 ASN 37 HD22 ASN 37 -6.637 -3.309 7.248 297 H GLY 38 HN GLY 38 -8.921 -6.768 2.420 298 1HA GLY 38 HA2 GLY 38 -10.496 -7.383 0.756 299 2HA GLY 38 HA1 GLY 38 -11.794 -6.889 1.845 300 H ILE 39 HN ILE 39 -9.075 -4.799 1.089 301 HA ILE 39 HA ILE 39 -10.957 -2.997 -0.401 302 HB ILE 39 HB ILE 39 -8.527 -2.382 1.317 303 1HG1 ILE 39 HG12 ILE 39 -10.447 -3.185 2.642 304 2HG1 ILE 39 HG11 ILE 39 -10.185 -1.461 2.912 305 1HG2 ILE 39 HG21 ILE 39 -10.503 -0.605 -0.136 306 2HG2 ILE 39 HG22 ILE 39 -8.755 -0.672 -0.357 307 3HG2 ILE 39 HG23 ILE 39 -9.430 -0.020 1.135 308 1HD1 ILE 39 HD11 ILE 39 -11.918 -1.470 0.756 309 2HD1 ILE 39 HD12 ILE 39 -12.391 -1.232 2.438 310 3HD1 ILE 39 HD13 ILE 39 -12.489 -2.837 1.713 311 H ASP 40 HN ASP 40 -10.189 -4.363 -2.321 312 HA ASP 40 HA ASP 40 -7.510 -3.424 -3.302 313 1HB ASP 40 HB2 ASP 40 -8.052 -5.924 -2.785 314 2HB ASP 40 HB1 ASP 40 -9.005 -5.860 -4.271 315 H GLY 41 HN GLY 41 -8.175 -1.598 -4.489 316 1HA GLY 41 HA2 GLY 41 -10.036 -2.156 -6.762 317 2HA GLY 41 HA1 GLY 41 -10.170 -0.661 -5.830 318 H GLU 42 HN GLU 42 -8.495 0.930 -6.039 319 HA GLU 42 HA GLU 42 -6.607 0.479 -8.327 320 1HB GLU 42 HB2 GLU 42 -8.825 2.342 -7.965 321 2HB GLU 42 HB1 GLU 42 -7.318 3.200 -8.278 322 1HG GLU 42 HG2 GLU 42 -7.122 2.369 -10.403 323 2HG GLU 42 HG1 GLU 42 -7.854 0.821 -9.979 324 H TRP 43 HN TRP 43 -4.533 0.793 -7.668 325 HA TRP 43 HA TRP 43 -3.992 2.334 -5.174 326 1HB TRP 43 HB2 TRP 43 -2.361 0.487 -6.946 327 2HB TRP 43 HB1 TRP 43 -1.700 1.310 -5.545 328 HD1 TRP 43 HD1 TRP 43 -5.249 -0.128 -5.348 329 HE1 TRP 43 HE1 TRP 43 -5.219 -2.146 -3.763 330 HE3 TRP 43 HE3 TRP 43 -0.235 -0.534 -4.543 331 HZ2 TRP 43 HZ2 TRP 43 -3.332 -3.698 -2.300 332 HZ3 TRP 43 HZ3 TRP 43 0.648 -2.284 -3.019 333 HH2 TRP 43 HH2 TRP 43 -0.885 -3.859 -1.906 334 H THR 44 HN THR 44 -2.007 3.768 -5.270 335 HA THR 44 HA THR 44 -1.312 4.848 -7.938 336 HB THR 44 HB THR 44 -1.906 7.135 -7.262 337 HG1 THR 44 HG1 THR 44 -2.634 7.573 -5.306 338 1HG2 THR 44 HG21 THR 44 -4.262 6.953 -7.522 339 2HG2 THR 44 HG22 THR 44 -4.305 5.381 -6.725 340 3HG2 THR 44 HG23 THR 44 -3.599 5.535 -8.334 341 H TYR 45 HN TYR 45 0.840 5.290 -7.934 342 HA TYR 45 HA TYR 45 2.298 5.233 -5.342 343 1HB TYR 45 HB2 TYR 45 2.909 3.744 -7.243 344 2HB TYR 45 HB1 TYR 45 3.240 5.166 -8.231 345 HD1 TYR 45 HD1 TYR 45 4.041 4.178 -4.693 346 HD2 TYR 45 HD2 TYR 45 5.518 5.531 -8.493 347 HE1 TYR 45 HE1 TYR 45 6.335 4.298 -3.759 348 HE2 TYR 45 HE2 TYR 45 7.811 5.652 -7.559 349 HH TYR 45 HH TYR 45 8.643 4.264 -4.546 350 H ASP 46 HN ASP 46 4.058 6.880 -5.026 351 HA ASP 46 HA ASP 46 3.777 9.386 -6.612 352 1HB ASP 46 HB2 ASP 46 3.552 9.290 -3.584 353 2HB ASP 46 HB1 ASP 46 3.386 10.711 -4.607 354 H ASP 47 HN ASP 47 5.846 9.853 -7.180 355 HA ASP 47 HA ASP 47 8.190 8.808 -5.879 356 1HB ASP 47 HB2 ASP 47 7.962 9.569 -8.259 357 2HB ASP 47 HB1 ASP 47 7.877 11.233 -7.680 358 H ALA 48 HN ALA 48 6.128 11.468 -5.090 359 HA ALA 48 HA ALA 48 7.759 13.435 -3.969 360 1HB ALA 48 HB1 ALA 48 5.754 13.482 -2.255 361 2HB ALA 48 HB2 ALA 48 5.094 12.213 -3.291 362 3HB ALA 48 HB3 ALA 48 5.447 13.809 -3.961 363 H THR 49 HN THR 49 6.478 10.585 -2.213 364 HA THR 49 HA THR 49 8.939 10.528 -0.536 365 HB THR 49 HB THR 49 7.329 11.996 0.606 366 HG1 THR 49 HG1 THR 49 7.966 11.046 2.342 367 1HG2 THR 49 HG21 THR 49 5.455 9.931 -0.301 368 2HG2 THR 49 HG22 THR 49 5.146 11.608 0.154 369 3HG2 THR 49 HG23 THR 49 5.236 10.359 1.396 370 H LYS 50 HN LYS 50 8.196 8.737 -2.561 371 HA LYS 50 HA LYS 50 7.600 6.507 -3.046 372 1HB LYS 50 HB2 LYS 50 8.942 4.994 -1.666 373 2HB LYS 50 HB1 LYS 50 9.834 6.478 -1.986 374 1HG LYS 50 HG2 LYS 50 9.461 7.303 0.210 375 2HG LYS 50 HG1 LYS 50 8.194 6.117 0.526 376 1HD LYS 50 HD2 LYS 50 10.199 5.389 1.671 377 2HD LYS 50 HD1 LYS 50 9.930 4.308 0.303 378 1HE LYS 50 HE2 LYS 50 11.527 5.740 -1.042 379 2HE LYS 50 HE1 LYS 50 11.912 6.603 0.460 380 1HZ LYS 50 HZ1 LYS 50 12.406 4.451 1.495 381 2HZ LYS 50 HZ2 LYS 50 13.429 4.761 0.175 382 3HZ LYS 50 HZ3 LYS 50 12.135 3.673 0.013 383 H THR 51 HN THR 51 5.332 7.682 -1.928 384 HA THR 51 HA THR 51 4.336 5.744 0.112 385 HB THR 51 HB THR 51 3.232 8.351 -0.999 386 HG1 THR 51 HG1 THR 51 4.378 7.755 1.522 387 1HG2 THR 51 HG21 THR 51 2.245 6.420 1.089 388 2HG2 THR 51 HG22 THR 51 1.341 7.207 -0.205 389 3HG2 THR 51 HG23 THR 51 1.854 8.136 1.203 390 H TRP 52 HN TRP 52 2.005 4.994 -0.291 391 HA TRP 52 HA TRP 52 1.460 4.574 -3.212 392 1HB TRP 52 HB2 TRP 52 1.672 2.644 -0.909 393 2HB TRP 52 HB1 TRP 52 0.712 2.250 -2.327 394 HD1 TRP 52 HD1 TRP 52 4.277 2.583 -1.138 395 HE1 TRP 52 HE1 TRP 52 5.865 1.809 -3.021 396 HE3 TRP 52 HE3 TRP 52 0.933 2.111 -4.916 397 HZ2 TRP 52 HZ2 TRP 52 5.712 1.072 -5.794 398 HZ3 TRP 52 HZ3 TRP 52 1.653 1.367 -7.178 399 HH2 TRP 52 HH2 TRP 52 4.040 0.847 -7.617 400 H THR 53 HN THR 53 -0.845 3.202 -3.114 401 HA THR 53 HA THR 53 -2.717 4.306 -1.130 402 HB THR 53 HB THR 53 -3.122 4.942 -4.058 403 HG1 THR 53 HG1 THR 53 -1.536 6.289 -3.811 404 1HG2 THR 53 HG21 THR 53 -4.383 6.882 -2.734 405 2HG2 THR 53 HG22 THR 53 -4.402 5.662 -1.460 406 3HG2 THR 53 HG23 THR 53 -5.146 5.318 -3.021 407 H VAL 54 HN VAL 54 -5.039 3.558 -1.785 408 HA VAL 54 HA VAL 54 -5.320 1.313 -3.614 409 HB VAL 54 HB VAL 54 -3.967 0.248 -1.874 410 1HG1 VAL 54 HG11 VAL 54 -4.119 0.848 0.279 411 2HG1 VAL 54 HG12 VAL 54 -5.814 0.369 0.343 412 3HG1 VAL 54 HG13 VAL 54 -5.377 1.997 -0.166 413 1HG2 VAL 54 HG21 VAL 54 -6.650 -0.767 -1.080 414 2HG2 VAL 54 HG22 VAL 54 -5.244 -1.651 -1.681 415 3HG2 VAL 54 HG23 VAL 54 -6.290 -0.777 -2.807 416 H THR 55 HN THR 55 -7.128 2.774 -4.140 417 HA THR 55 HA THR 55 -9.259 3.131 -2.122 418 HB THR 55 HB THR 55 -9.312 3.858 -5.055 419 HG1 THR 55 HG1 THR 55 -8.324 5.842 -4.309 420 1HG2 THR 55 HG21 THR 55 -10.557 5.839 -4.061 421 2HG2 THR 55 HG22 THR 55 -10.538 4.972 -2.524 422 3HG2 THR 55 HG23 THR 55 -11.375 4.283 -3.915 423 H GLU 56 HN GLU 56 -11.048 1.824 -2.008 424 HA GLU 56 HA GLU 56 -11.254 -0.635 -3.467 425 1HB GLU 56 HB2 GLU 56 -12.343 0.466 -1.221 426 2HB GLU 56 HB1 GLU 56 -13.712 0.575 -2.327 427 1HG GLU 56 HG2 GLU 56 -12.150 -1.987 -2.127 428 2HG GLU 56 HG1 GLU 56 -13.383 -1.612 -0.923 Start of MODEL 16 1 1H THR 1 HT1 THR 1 12.511 7.577 5.046 2 2H THR 1 HT2 THR 1 13.369 6.705 6.226 3 3H THR 1 HT3 THR 1 12.388 8.016 6.680 4 HA THR 1 HA THR 1 11.355 5.818 7.149 5 HB THR 1 HB THR 1 9.222 6.576 5.873 6 HG1 THR 1 HG1 THR 1 9.461 8.139 4.498 7 1HG2 THR 1 HG21 THR 1 10.640 8.706 7.484 8 2HG2 THR 1 HG22 THR 1 9.964 7.250 8.214 9 3HG2 THR 1 HG23 THR 1 8.906 8.397 7.391 10 H THR 2 HN THR 2 10.238 3.988 6.153 11 HA THR 2 HA THR 2 11.525 3.114 3.622 12 HB THR 2 HB THR 2 11.578 1.690 5.638 13 HG1 THR 2 HG1 THR 2 11.555 0.562 3.757 14 1HG2 THR 2 HG21 THR 2 9.004 0.660 5.854 15 2HG2 THR 2 HG22 THR 2 8.741 2.397 5.698 16 3HG2 THR 2 HG23 THR 2 9.770 1.773 6.987 17 H PHE 3 HN PHE 3 9.571 1.303 2.752 18 HA PHE 3 HA PHE 3 7.887 2.919 1.111 19 1HB PHE 3 HB2 PHE 3 7.539 0.021 1.956 20 2HB PHE 3 HB1 PHE 3 6.897 0.762 0.493 21 HD1 PHE 3 HD1 PHE 3 9.235 2.426 -0.366 22 HD2 PHE 3 HD2 PHE 3 9.068 -1.592 1.149 23 HE1 PHE 3 HE1 PHE 3 11.341 1.887 -1.559 24 HE2 PHE 3 HE2 PHE 3 11.175 -2.127 -0.042 25 HZ PHE 3 HZ PHE 3 12.312 -0.388 -1.395 26 H LYS 4 HN LYS 4 5.566 3.213 1.206 27 HA LYS 4 HA LYS 4 4.220 2.606 3.795 28 1HB LYS 4 HB2 LYS 4 5.389 4.845 3.864 29 2HB LYS 4 HB1 LYS 4 4.354 5.363 2.543 30 1HG LYS 4 HG2 LYS 4 2.356 4.946 3.899 31 2HG LYS 4 HG1 LYS 4 3.362 4.373 5.228 32 1HD LYS 4 HD2 LYS 4 3.942 6.478 5.865 33 2HD LYS 4 HD1 LYS 4 4.118 7.035 4.201 34 1HE LYS 4 HE2 LYS 4 2.003 7.881 4.155 35 2HE LYS 4 HE1 LYS 4 1.324 6.442 4.941 36 1HZ LYS 4 HZ1 LYS 4 1.171 8.277 6.458 37 2HZ LYS 4 HZ2 LYS 4 2.816 8.652 6.256 38 3HZ LYS 4 HZ3 LYS 4 2.358 7.212 7.034 39 H LEU 5 HN LEU 5 1.904 2.629 3.610 40 HA LEU 5 HA LEU 5 0.716 3.220 0.950 41 1HB LEU 5 HB2 LEU 5 1.578 0.730 1.392 42 2HB LEU 5 HB1 LEU 5 0.055 0.608 2.264 43 HG LEU 5 HG LEU 5 -0.324 1.933 -0.306 44 1HD1 LEU 5 HD11 LEU 5 0.429 -0.967 -0.579 45 2HD1 LEU 5 HD12 LEU 5 1.679 0.277 -0.683 46 3HD1 LEU 5 HD13 LEU 5 0.332 0.285 -1.827 47 1HD2 LEU 5 HD21 LEU 5 -1.924 -0.109 -0.499 48 2HD2 LEU 5 HD22 LEU 5 -2.233 1.072 0.774 49 3HD2 LEU 5 HD23 LEU 5 -1.439 -0.454 1.162 50 H ILE 6 HN ILE 6 -1.352 4.027 1.180 51 HA ILE 6 HA ILE 6 -2.503 4.074 3.941 52 HB ILE 6 HB ILE 6 -2.850 5.826 1.490 53 1HG1 ILE 6 HG12 ILE 6 -0.670 6.038 2.641 54 2HG1 ILE 6 HG11 ILE 6 -1.640 7.498 2.834 55 1HG2 ILE 6 HG21 ILE 6 -4.172 5.886 4.201 56 2HG2 ILE 6 HG22 ILE 6 -4.925 5.986 2.610 57 3HG2 ILE 6 HG23 ILE 6 -4.000 7.351 3.234 58 1HD1 ILE 6 HD11 ILE 6 -1.204 5.295 4.864 59 2HD1 ILE 6 HD12 ILE 6 -2.425 6.552 5.056 60 3HD1 ILE 6 HD13 ILE 6 -0.716 6.984 4.994 61 H ILE 7 HN ILE 7 -4.567 3.258 4.279 62 HA ILE 7 HA ILE 7 -5.767 1.646 2.110 63 HB ILE 7 HB ILE 7 -6.457 2.032 5.044 64 1HG1 ILE 7 HG12 ILE 7 -4.984 -0.242 3.677 65 2HG1 ILE 7 HG11 ILE 7 -4.183 1.063 4.553 66 1HG2 ILE 7 HG21 ILE 7 -7.332 -0.092 3.060 67 2HG2 ILE 7 HG22 ILE 7 -8.356 1.192 3.704 68 3HG2 ILE 7 HG23 ILE 7 -7.734 -0.062 4.777 69 1HD1 ILE 7 HD11 ILE 7 -5.778 0.411 6.510 70 2HD1 ILE 7 HD12 ILE 7 -4.378 -0.613 6.188 71 3HD1 ILE 7 HD13 ILE 7 -5.977 -1.103 5.628 72 H ASN 8 HN ASN 8 -7.274 2.589 0.802 73 HA ASN 8 HA ASN 8 -8.987 4.778 1.935 74 1HB ASN 8 HB2 ASN 8 -7.717 4.252 -0.747 75 2HB ASN 8 HB1 ASN 8 -9.135 5.294 -0.633 76 1HD2 ASN 8 HD21 ASN 8 -7.699 7.130 -1.282 77 2HD2 ASN 8 HD22 ASN 8 -6.679 7.849 -0.119 78 H GLY 9 HN GLY 9 -9.877 2.259 2.464 79 1HA GLY 9 HA2 GLY 9 -11.619 1.289 0.306 80 2HA GLY 9 HA1 GLY 9 -11.501 0.606 1.933 81 H LYS 10 HN LYS 10 -13.986 1.087 0.666 82 HA LYS 10 HA LYS 10 -15.275 3.525 1.216 83 1HB LYS 10 HB2 LYS 10 -16.288 0.669 1.321 84 2HB LYS 10 HB1 LYS 10 -17.327 2.091 1.224 85 1HG LYS 10 HG2 LYS 10 -16.045 2.737 -0.879 86 2HG LYS 10 HG1 LYS 10 -15.318 1.131 -0.826 87 1HD LYS 10 HD2 LYS 10 -17.359 0.050 -1.223 88 2HD LYS 10 HD1 LYS 10 -18.307 1.434 -0.677 89 1HE LYS 10 HE2 LYS 10 -17.262 2.687 -2.706 90 2HE LYS 10 HE1 LYS 10 -16.874 1.063 -3.307 91 1HZ LYS 10 HZ1 LYS 10 -19.075 1.710 -4.043 92 2HZ LYS 10 HZ2 LYS 10 -19.555 2.016 -2.442 93 3HZ LYS 10 HZ3 LYS 10 -19.194 0.431 -2.936 94 H THR 11 HN THR 11 -14.367 0.932 3.400 95 HA THR 11 HA THR 11 -15.494 2.515 5.685 96 HB THR 11 HB THR 11 -15.445 -0.506 5.431 97 HG1 THR 11 HG1 THR 11 -17.687 -0.238 4.982 98 1HG2 THR 11 HG21 THR 11 -15.633 0.889 7.685 99 2HG2 THR 11 HG22 THR 11 -16.619 -0.549 7.422 100 3HG2 THR 11 HG23 THR 11 -17.311 1.053 7.169 101 H LEU 12 HN LEU 12 -13.174 -0.014 4.687 102 HA LEU 12 HA LEU 12 -11.609 0.198 7.154 103 1HB LEU 12 HB2 LEU 12 -11.119 -1.129 4.467 104 2HB LEU 12 HB1 LEU 12 -10.146 -1.397 5.913 105 HG LEU 12 HG LEU 12 -13.090 -1.738 6.196 106 1HD1 LEU 12 HD11 LEU 12 -11.446 -3.984 5.041 107 2HD1 LEU 12 HD12 LEU 12 -12.274 -2.842 3.983 108 3HD1 LEU 12 HD13 LEU 12 -13.201 -3.825 5.115 109 1HD2 LEU 12 HD21 LEU 12 -11.570 -2.067 8.095 110 2HD2 LEU 12 HD22 LEU 12 -10.644 -3.249 7.171 111 3HD2 LEU 12 HD23 LEU 12 -12.305 -3.606 7.644 112 H LYS 13 HN LYS 13 -9.819 1.491 7.472 113 HA LYS 13 HA LYS 13 -8.416 2.712 5.166 114 1HB LYS 13 HB2 LYS 13 -10.020 4.201 7.260 115 2HB LYS 13 HB1 LYS 13 -8.795 4.991 6.267 116 1HG LYS 13 HG2 LYS 13 -10.032 4.035 4.239 117 2HG LYS 13 HG1 LYS 13 -11.347 3.654 5.352 118 1HD LYS 13 HD2 LYS 13 -11.521 6.008 6.000 119 2HD LYS 13 HD1 LYS 13 -10.154 6.415 4.961 120 1HE LYS 13 HE2 LYS 13 -11.512 5.457 3.014 121 2HE LYS 13 HE1 LYS 13 -12.903 5.458 4.117 122 1HZ LYS 13 HZ1 LYS 13 -12.459 7.799 4.592 123 2HZ LYS 13 HZ2 LYS 13 -12.771 7.559 2.939 124 3HZ LYS 13 HZ3 LYS 13 -11.178 7.795 3.480 125 H GLY 14 HN GLY 14 -6.694 4.359 6.267 126 1HA GLY 14 HA2 GLY 14 -5.511 4.561 8.559 127 2HA GLY 14 HA1 GLY 14 -5.401 2.804 8.460 128 H GLU 15 HN GLU 15 -3.063 2.998 8.485 129 HA GLU 15 HA GLU 15 -1.946 3.524 5.776 130 1HB GLU 15 HB2 GLU 15 -0.152 4.907 6.809 131 2HB GLU 15 HB1 GLU 15 -1.746 5.616 7.058 132 1HG GLU 15 HG2 GLU 15 -1.131 5.716 9.245 133 2HG GLU 15 HG1 GLU 15 -1.522 3.997 9.266 134 H THR 16 HN THR 16 0.332 2.640 5.626 135 HA THR 16 HA THR 16 1.224 0.776 7.716 136 HB THR 16 HB THR 16 -0.618 -0.454 6.647 137 HG1 THR 16 HG1 THR 16 0.836 -1.916 7.127 138 1HG2 THR 16 HG21 THR 16 -0.266 -1.115 4.196 139 2HG2 THR 16 HG22 THR 16 0.907 0.200 4.116 140 3HG2 THR 16 HG23 THR 16 -0.782 0.545 4.491 141 H THR 17 HN THR 17 3.317 -0.186 7.168 142 HA THR 17 HA THR 17 4.651 0.891 4.722 143 HB THR 17 HB THR 17 6.596 1.456 6.286 144 HG1 THR 17 HG1 THR 17 6.264 1.349 8.382 145 1HG2 THR 17 HG21 THR 17 5.484 3.583 7.080 146 2HG2 THR 17 HG22 THR 17 3.959 2.928 6.485 147 3HG2 THR 17 HG23 THR 17 5.279 3.246 5.361 148 H THR 18 HN THR 18 6.603 -0.333 4.176 149 HA THR 18 HA THR 18 7.050 -2.837 5.701 150 HB THR 18 HB THR 18 5.594 -2.509 3.183 151 HG1 THR 18 HG1 THR 18 5.047 -3.809 5.002 152 1HG2 THR 18 HG21 THR 18 7.813 -2.975 2.165 153 2HG2 THR 18 HG22 THR 18 6.650 -4.270 1.875 154 3HG2 THR 18 HG23 THR 18 7.910 -4.471 3.095 155 H GLU 19 HN GLU 19 9.144 -3.817 5.134 156 HA GLU 19 HA GLU 19 11.055 -1.871 3.876 157 1HB GLU 19 HB2 GLU 19 11.200 -2.225 6.366 158 2HB GLU 19 HB1 GLU 19 11.546 -3.927 6.056 159 1HG GLU 19 HG2 GLU 19 13.379 -2.812 4.423 160 2HG GLU 19 HG1 GLU 19 13.270 -1.539 5.641 161 H ALA 20 HN ALA 20 11.711 -2.685 1.918 162 HA ALA 20 HA ALA 20 12.495 -5.551 1.740 163 1HB ALA 20 HB1 ALA 20 10.396 -5.898 0.889 164 2HB ALA 20 HB2 ALA 20 11.111 -5.242 -0.584 165 3HB ALA 20 HB3 ALA 20 10.175 -4.195 0.484 166 H VAL 21 HN VAL 21 13.283 -5.863 -0.718 167 HA VAL 21 HA VAL 21 15.610 -4.280 -1.119 168 HB VAL 21 HB VAL 21 15.209 -6.545 -2.024 169 1HG1 VAL 21 HG11 VAL 21 12.757 -5.947 -2.628 170 2HG1 VAL 21 HG12 VAL 21 13.638 -7.027 -3.709 171 3HG1 VAL 21 HG13 VAL 21 13.440 -5.326 -4.131 172 1HG2 VAL 21 HG21 VAL 21 15.514 -4.873 -4.478 173 2HG2 VAL 21 HG22 VAL 21 16.483 -6.240 -3.928 174 3HG2 VAL 21 HG23 VAL 21 16.686 -4.657 -3.178 175 H ASP 22 HN ASP 22 12.357 -4.003 -2.497 176 HA ASP 22 HA ASP 22 12.937 -1.211 -3.310 177 1HB ASP 22 HB2 ASP 22 13.676 -2.728 -5.132 178 2HB ASP 22 HB1 ASP 22 12.061 -3.435 -5.179 179 H ALA 23 HN ALA 23 10.888 -0.110 -3.984 180 HA ALA 23 HA ALA 23 8.692 -0.660 -2.240 181 1HB ALA 23 HB1 ALA 23 7.624 0.886 -4.213 182 2HB ALA 23 HB2 ALA 23 9.343 1.120 -4.527 183 3HB ALA 23 HB3 ALA 23 8.672 1.525 -2.947 184 H ALA 24 HN ALA 24 9.297 -1.570 -5.620 185 HA ALA 24 HA ALA 24 6.721 -2.535 -6.333 186 1HB ALA 24 HB1 ALA 24 8.929 -2.228 -7.673 187 2HB ALA 24 HB2 ALA 24 7.884 -3.579 -8.114 188 3HB ALA 24 HB3 ALA 24 9.317 -3.859 -7.125 189 H THR 25 HN THR 25 9.421 -4.206 -4.706 190 HA THR 25 HA THR 25 8.144 -6.776 -4.499 191 HB THR 25 HB THR 25 10.354 -5.348 -2.989 192 HG1 THR 25 HG1 THR 25 11.313 -5.935 -4.744 193 1HG2 THR 25 HG21 THR 25 9.579 -8.275 -2.777 194 2HG2 THR 25 HG22 THR 25 9.325 -7.067 -1.513 195 3HG2 THR 25 HG23 THR 25 10.965 -7.508 -2.000 196 H ALA 26 HN ALA 26 8.374 -4.004 -2.258 197 HA ALA 26 HA ALA 26 6.996 -5.164 -0.066 198 1HB ALA 26 HB1 ALA 26 6.550 -2.718 0.496 199 2HB ALA 26 HB2 ALA 26 7.259 -2.316 -1.073 200 3HB ALA 26 HB3 ALA 26 8.239 -3.112 0.158 201 H GLU 27 HN GLU 27 5.616 -2.787 -2.383 202 HA GLU 27 HA GLU 27 2.967 -2.839 -1.677 203 1HB GLU 27 HB2 GLU 27 2.502 -2.233 -4.017 204 2HB GLU 27 HB1 GLU 27 3.989 -1.470 -3.459 205 1HG GLU 27 HG2 GLU 27 5.347 -3.024 -4.648 206 2HG GLU 27 HG1 GLU 27 3.989 -4.105 -4.944 207 H LYS 28 HN LYS 28 4.630 -5.479 -3.336 208 HA LYS 28 HA LYS 28 2.272 -6.926 -4.186 209 1HB LYS 28 HB2 LYS 28 5.079 -7.818 -3.413 210 2HB LYS 28 HB1 LYS 28 3.907 -8.832 -4.254 211 1HG LYS 28 HG2 LYS 28 3.994 -7.538 -6.208 212 2HG LYS 28 HG1 LYS 28 4.635 -6.131 -5.360 213 1HD LYS 28 HD2 LYS 28 6.624 -6.843 -6.238 214 2HD LYS 28 HD1 LYS 28 6.605 -7.931 -4.850 215 1HE LYS 28 HE2 LYS 28 5.483 -9.664 -6.254 216 2HE LYS 28 HE1 LYS 28 5.620 -8.580 -7.652 217 1HZ LYS 28 HZ1 LYS 28 7.533 -10.016 -7.592 218 2HZ LYS 28 HZ2 LYS 28 7.853 -9.601 -5.977 219 3HZ LYS 28 HZ3 LYS 28 8.025 -8.440 -7.206 220 H VAL 29 HN VAL 29 4.323 -7.042 -1.276 221 HA VAL 29 HA VAL 29 2.751 -9.050 0.122 222 HB VAL 29 HB VAL 29 4.857 -6.980 0.814 223 1HG1 VAL 29 HG11 VAL 29 3.578 -8.909 2.781 224 2HG1 VAL 29 HG12 VAL 29 3.368 -7.155 2.794 225 3HG1 VAL 29 HG13 VAL 29 4.957 -7.858 3.108 226 1HG2 VAL 29 HG21 VAL 29 4.714 -9.977 0.562 227 2HG2 VAL 29 HG22 VAL 29 6.013 -9.214 1.479 228 3HG2 VAL 29 HG23 VAL 29 5.813 -8.852 -0.236 229 H LEU 30 HN LEU 30 2.732 -5.498 -0.052 230 HA LEU 30 HA LEU 30 0.856 -5.068 2.077 231 1HB LEU 30 HB2 LEU 30 1.693 -3.540 -0.398 232 2HB LEU 30 HB1 LEU 30 0.515 -2.881 0.720 233 HG LEU 30 HG LEU 30 3.088 -2.279 0.949 234 1HD1 LEU 30 HD11 LEU 30 2.776 -2.062 3.429 235 2HD1 LEU 30 HD12 LEU 30 1.253 -2.945 3.250 236 3HD1 LEU 30 HD13 LEU 30 1.465 -1.383 2.456 237 1HD2 LEU 30 HD21 LEU 30 4.114 -3.701 2.767 238 2HD2 LEU 30 HD22 LEU 30 4.076 -4.430 1.174 239 3HD2 LEU 30 HD23 LEU 30 2.916 -4.927 2.401 240 H LYS 31 HN LYS 31 0.554 -5.894 -1.334 241 HA LYS 31 HA LYS 31 -2.266 -5.446 -1.697 242 1HB LYS 31 HB2 LYS 31 -0.246 -6.172 -3.300 243 2HB LYS 31 HB1 LYS 31 -0.786 -7.781 -2.883 244 1HG LYS 31 HG2 LYS 31 -2.721 -5.679 -3.861 245 2HG LYS 31 HG1 LYS 31 -1.832 -6.708 -4.983 246 1HD LYS 31 HD2 LYS 31 -3.682 -7.665 -2.773 247 2HD LYS 31 HD1 LYS 31 -4.032 -7.690 -4.500 248 1HE LYS 31 HE2 LYS 31 -1.538 -8.991 -4.229 249 2HE LYS 31 HE1 LYS 31 -2.564 -9.637 -2.927 250 1HZ LYS 31 HZ1 LYS 31 -4.326 -10.015 -4.524 251 2HZ LYS 31 HZ2 LYS 31 -2.920 -10.819 -5.037 252 3HZ LYS 31 HZ3 LYS 31 -3.386 -9.362 -5.776 253 H GLN 32 HN GLN 32 -0.348 -8.228 -0.622 254 HA GLN 32 HA GLN 32 -2.403 -10.133 -0.204 255 1HB GLN 32 HB2 GLN 32 0.345 -9.586 0.733 256 2HB GLN 32 HB1 GLN 32 -0.618 -10.635 1.775 257 1HG GLN 32 HG2 GLN 32 -0.735 -11.195 -1.140 258 2HG GLN 32 HG1 GLN 32 0.779 -11.583 -0.322 259 1HE2 GLN 32 HE21 GLN 32 0.585 -13.032 1.651 260 2HE2 GLN 32 HE22 GLN 32 -0.687 -14.168 1.702 261 H TYR 33 HN TYR 33 -1.196 -7.524 1.884 262 HA TYR 33 HA TYR 33 -2.836 -8.111 4.199 263 1HB TYR 33 HB2 TYR 33 -0.842 -6.686 4.272 264 2HB TYR 33 HB1 TYR 33 -1.566 -5.563 3.121 265 HD1 TYR 33 HD1 TYR 33 -1.906 -7.012 6.512 266 HD2 TYR 33 HD2 TYR 33 -3.084 -3.873 3.834 267 HE1 TYR 33 HE1 TYR 33 -3.004 -5.837 8.383 268 HE2 TYR 33 HE2 TYR 33 -4.181 -2.685 5.712 269 HH TYR 33 HH TYR 33 -3.628 -3.408 8.920 270 H ILE 34 HN ILE 34 -3.208 -6.011 1.355 271 HA ILE 34 HA ILE 34 -5.761 -4.872 2.006 272 HB ILE 34 HB ILE 34 -4.395 -5.519 -0.627 273 1HG1 ILE 34 HG12 ILE 34 -3.242 -4.032 1.153 274 2HG1 ILE 34 HG11 ILE 34 -3.353 -3.403 -0.487 275 1HG2 ILE 34 HG21 ILE 34 -6.780 -5.102 -0.993 276 2HG2 ILE 34 HG22 ILE 34 -5.828 -3.746 -1.598 277 3HG2 ILE 34 HG23 ILE 34 -6.680 -3.609 -0.060 278 1HD1 ILE 34 HD11 ILE 34 -5.663 -2.734 1.217 279 2HD1 ILE 34 HD12 ILE 34 -4.714 -1.699 0.150 280 3HD1 ILE 34 HD13 ILE 34 -4.135 -2.052 1.779 281 H ASN 35 HN ASN 35 -4.780 -7.960 0.633 282 HA ASN 35 HA ASN 35 -7.208 -8.836 -0.552 283 1HB ASN 35 HB2 ASN 35 -4.861 -9.850 -0.575 284 2HB ASN 35 HB1 ASN 35 -5.247 -10.541 1.001 285 1HD2 ASN 35 HD21 ASN 35 -5.707 -10.908 -2.424 286 2HD2 ASN 35 HD22 ASN 35 -6.756 -12.240 -2.351 287 H ASP 36 HN ASP 36 -6.217 -8.674 2.823 288 HA ASP 36 HA ASP 36 -8.383 -10.354 3.837 289 1HB ASP 36 HB2 ASP 36 -6.171 -10.031 4.936 290 2HB ASP 36 HB1 ASP 36 -6.568 -8.332 5.195 291 H ASN 37 HN ASN 37 -7.698 -6.836 3.953 292 HA ASN 37 HA ASN 37 -10.181 -6.051 5.137 293 1HB ASN 37 HB2 ASN 37 -8.256 -4.619 3.273 294 2HB ASN 37 HB1 ASN 37 -9.524 -3.815 4.205 295 1HD2 ASN 37 HD21 ASN 37 -7.851 -2.623 5.431 296 2HD2 ASN 37 HD22 ASN 37 -6.949 -3.411 6.646 297 H GLY 38 HN GLY 38 -9.272 -6.764 1.811 298 1HA GLY 38 HA2 GLY 38 -10.719 -7.256 -0.001 299 2HA GLY 38 HA1 GLY 38 -12.093 -6.818 1.017 300 H ILE 39 HN ILE 39 -9.304 -4.722 0.564 301 HA ILE 39 HA ILE 39 -11.082 -2.793 -0.893 302 HB ILE 39 HB ILE 39 -8.687 -2.349 0.924 303 1HG1 ILE 39 HG12 ILE 39 -10.666 -3.172 2.146 304 2HG1 ILE 39 HG11 ILE 39 -10.366 -1.473 2.524 305 1HG2 ILE 39 HG21 ILE 39 -9.298 0.023 0.812 306 2HG2 ILE 39 HG22 ILE 39 -10.638 -0.356 -0.270 307 3HG2 ILE 39 HG23 ILE 39 -8.976 -0.593 -0.809 308 1HD1 ILE 39 HD11 ILE 39 -12.464 -2.600 0.649 309 2HD1 ILE 39 HD12 ILE 39 -12.055 -0.886 0.718 310 3HD1 ILE 39 HD13 ILE 39 -12.729 -1.689 2.136 311 H ASP 40 HN ASP 40 -10.319 -4.023 -2.884 312 HA ASP 40 HA ASP 40 -7.573 -3.145 -3.726 313 1HB ASP 40 HB2 ASP 40 -9.257 -5.598 -4.229 314 2HB ASP 40 HB1 ASP 40 -7.955 -5.164 -5.343 315 H GLY 41 HN GLY 41 -8.126 -1.202 -4.784 316 1HA GLY 41 HA2 GLY 41 -9.945 -1.503 -7.138 317 2HA GLY 41 HA1 GLY 41 -10.042 -0.079 -6.097 318 H GLU 42 HN GLU 42 -8.246 1.418 -6.101 319 HA GLU 42 HA GLU 42 -6.343 1.073 -8.394 320 1HB GLU 42 HB2 GLU 42 -8.463 3.036 -7.888 321 2HB GLU 42 HB1 GLU 42 -6.903 3.801 -8.187 322 1HG GLU 42 HG2 GLU 42 -6.797 3.066 -10.355 323 2HG GLU 42 HG1 GLU 42 -7.646 1.561 -9.998 324 H TRP 43 HN TRP 43 -4.278 1.216 -7.655 325 HA TRP 43 HA TRP 43 -3.728 2.576 -5.058 326 1HB TRP 43 HB2 TRP 43 -2.163 0.716 -6.874 327 2HB TRP 43 HB1 TRP 43 -1.488 1.432 -5.423 328 HD1 TRP 43 HD1 TRP 43 -5.121 0.182 -5.423 329 HE1 TRP 43 HE1 TRP 43 -5.260 -1.885 -3.909 330 HE3 TRP 43 HE3 TRP 43 -0.178 -0.485 -4.409 331 HZ2 TRP 43 HZ2 TRP 43 -3.516 -3.572 -2.415 332 HZ3 TRP 43 HZ3 TRP 43 0.556 -2.323 -2.908 333 HH2 TRP 43 HH2 TRP 43 -1.100 -3.857 -1.916 334 H THR 44 HN THR 44 -1.705 3.933 -5.006 335 HA THR 44 HA THR 44 -0.827 5.080 -7.592 336 HB THR 44 HB THR 44 -1.367 7.364 -6.855 337 HG1 THR 44 HG1 THR 44 -2.338 7.729 -4.942 338 1HG2 THR 44 HG21 THR 44 -3.853 5.683 -6.512 339 2HG2 THR 44 HG22 THR 44 -3.063 5.882 -8.076 340 3HG2 THR 44 HG23 THR 44 -3.714 7.287 -7.232 341 H TYR 45 HN TYR 45 1.338 5.463 -7.466 342 HA TYR 45 HA TYR 45 2.696 5.131 -4.859 343 1HB TYR 45 HB2 TYR 45 3.430 3.926 -6.884 344 2HB TYR 45 HB1 TYR 45 3.684 5.458 -7.717 345 HD1 TYR 45 HD1 TYR 45 5.921 6.050 -7.901 346 HD2 TYR 45 HD2 TYR 45 4.574 4.061 -4.343 347 HE1 TYR 45 HE1 TYR 45 8.209 6.190 -6.957 348 HE2 TYR 45 HE2 TYR 45 6.861 4.198 -3.398 349 HH TYR 45 HH TYR 45 9.402 4.448 -4.766 350 H ASP 46 HN ASP 46 4.412 6.730 -4.236 351 HA ASP 46 HA ASP 46 4.010 9.475 -5.362 352 1HB ASP 46 HB2 ASP 46 4.147 8.783 -2.405 353 2HB ASP 46 HB1 ASP 46 3.849 10.372 -3.102 354 H ASP 47 HN ASP 47 5.961 10.404 -5.807 355 HA ASP 47 HA ASP 47 8.459 9.062 -5.127 356 1HB ASP 47 HB2 ASP 47 7.992 10.265 -7.252 357 2HB ASP 47 HB1 ASP 47 7.884 11.779 -6.353 358 H ALA 48 HN ALA 48 6.481 11.124 -3.320 359 HA ALA 48 HA ALA 48 8.237 12.985 -2.105 360 1HB ALA 48 HB1 ALA 48 5.991 13.254 -1.572 361 2HB ALA 48 HB2 ALA 48 6.539 12.423 -0.116 362 3HB ALA 48 HB3 ALA 48 5.722 11.518 -1.395 363 H THR 49 HN THR 49 7.133 10.016 -0.476 364 HA THR 49 HA THR 49 9.927 9.510 0.476 365 HB THR 49 HB THR 49 8.662 10.775 2.179 366 HG1 THR 49 HG1 THR 49 10.053 9.006 2.788 367 1HG2 THR 49 HG21 THR 49 6.727 8.779 2.919 368 2HG2 THR 49 HG22 THR 49 6.496 9.205 1.223 369 3HG2 THR 49 HG23 THR 49 6.452 10.460 2.461 370 H LYS 50 HN LYS 50 8.433 8.213 -1.628 371 HA LYS 50 HA LYS 50 7.858 6.069 -2.377 372 1HB LYS 50 HB2 LYS 50 9.356 5.331 0.160 373 2HB LYS 50 HB1 LYS 50 9.013 4.235 -1.177 374 1HG LYS 50 HG2 LYS 50 10.593 5.179 -2.543 375 2HG LYS 50 HG1 LYS 50 10.352 6.796 -1.881 376 1HD LYS 50 HD2 LYS 50 11.857 6.474 -0.175 377 2HD LYS 50 HD1 LYS 50 11.498 4.751 -0.044 378 1HE LYS 50 HE2 LYS 50 13.109 4.179 -1.565 379 2HE LYS 50 HE1 LYS 50 12.757 5.577 -2.601 380 1HZ LYS 50 HZ1 LYS 50 14.113 5.720 0.040 381 2HZ LYS 50 HZ2 LYS 50 13.827 7.019 -1.018 382 3HZ LYS 50 HZ3 LYS 50 14.911 5.785 -1.456 383 H THR 51 HN THR 51 5.626 7.018 -1.540 384 HA THR 51 HA THR 51 4.514 5.240 0.605 385 HB THR 51 HB THR 51 3.067 7.594 -0.584 386 HG1 THR 51 HG1 THR 51 5.084 7.816 1.389 387 1HG2 THR 51 HG21 THR 51 3.175 7.390 2.305 388 2HG2 THR 51 HG22 THR 51 2.674 5.855 1.594 389 3HG2 THR 51 HG23 THR 51 1.773 7.329 1.238 390 H TRP 52 HN TRP 52 1.876 5.163 -0.071 391 HA TRP 52 HA TRP 52 1.559 4.491 -2.932 392 1HB TRP 52 HB2 TRP 52 1.670 2.530 -0.648 393 2HB TRP 52 HB1 TRP 52 0.738 2.175 -2.096 394 HD1 TRP 52 HD1 TRP 52 4.268 2.364 -0.800 395 HE1 TRP 52 HE1 TRP 52 5.892 1.597 -2.656 396 HE3 TRP 52 HE3 TRP 52 1.040 2.134 -4.699 397 HZ2 TRP 52 HZ2 TRP 52 5.808 0.961 -5.456 398 HZ3 TRP 52 HZ3 TRP 52 1.810 1.444 -6.961 399 HH2 TRP 52 HH2 TRP 52 4.191 0.856 -7.340 400 H THR 53 HN THR 53 -0.786 3.171 -2.911 401 HA THR 53 HA THR 53 -2.681 4.275 -0.957 402 HB THR 53 HB THR 53 -2.888 5.075 -3.873 403 HG1 THR 53 HG1 THR 53 -1.236 6.280 -3.282 404 1HG2 THR 53 HG21 THR 53 -4.353 6.879 -2.699 405 2HG2 THR 53 HG22 THR 53 -4.365 5.751 -1.343 406 3HG2 THR 53 HG23 THR 53 -5.015 5.258 -2.907 407 H VAL 54 HN VAL 54 -4.991 3.607 -1.644 408 HA VAL 54 HA VAL 54 -5.318 1.476 -3.601 409 HB VAL 54 HB VAL 54 -4.026 0.274 -1.911 410 1HG1 VAL 54 HG11 VAL 54 -5.842 0.348 0.321 411 2HG1 VAL 54 HG12 VAL 54 -5.396 1.993 -0.123 412 3HG1 VAL 54 HG13 VAL 54 -4.144 0.814 0.257 413 1HG2 VAL 54 HG21 VAL 54 -6.383 -0.620 -2.885 414 2HG2 VAL 54 HG22 VAL 54 -6.750 -0.662 -1.161 415 3HG2 VAL 54 HG23 VAL 54 -5.378 -1.579 -1.791 416 H THR 55 HN THR 55 -7.025 3.142 -4.007 417 HA THR 55 HA THR 55 -9.196 3.403 -2.029 418 HB THR 55 HB THR 55 -9.141 4.339 -4.904 419 HG1 THR 55 HG1 THR 55 -7.365 5.307 -4.327 420 1HG2 THR 55 HG21 THR 55 -11.228 4.702 -3.717 421 2HG2 THR 55 HG22 THR 55 -10.400 6.250 -3.883 422 3HG2 THR 55 HG23 THR 55 -10.367 5.394 -2.341 423 H GLU 56 HN GLU 56 -11.161 2.324 -2.151 424 HA GLU 56 HA GLU 56 -11.369 0.012 -3.951 425 1HB GLU 56 HB2 GLU 56 -12.073 0.413 -1.425 426 2HB GLU 56 HB1 GLU 56 -13.564 1.004 -2.160 427 1HG GLU 56 HG2 GLU 56 -12.418 -1.615 -3.076 428 2HG GLU 56 HG1 GLU 56 -13.324 -1.551 -1.563 Start of MODEL 17 1 1H THR 1 HT1 THR 1 15.286 3.139 4.231 2 2H THR 1 HT2 THR 1 14.251 4.418 3.809 3 3H THR 1 HT3 THR 1 15.731 4.217 2.999 4 HA THR 1 HA THR 1 14.062 3.400 1.536 5 HB THR 1 HB THR 1 14.761 0.903 1.680 6 HG1 THR 1 HG1 THR 1 16.212 0.416 3.237 7 1HG2 THR 1 HG21 THR 1 17.297 1.752 1.461 8 2HG2 THR 1 HG22 THR 1 16.481 3.313 1.369 9 3HG2 THR 1 HG23 THR 1 16.097 2.047 0.203 10 H THR 2 HN THR 2 12.276 4.091 3.445 11 HA THR 2 HA THR 2 10.856 1.596 4.286 12 HB THR 2 HB THR 2 10.253 4.441 5.107 13 HG1 THR 2 HG1 THR 2 12.204 2.663 6.140 14 1HG2 THR 2 HG21 THR 2 8.655 2.655 5.721 15 2HG2 THR 2 HG22 THR 2 9.446 3.333 7.145 16 3HG2 THR 2 HG23 THR 2 9.961 1.770 6.510 17 H PHE 3 HN PHE 3 9.231 0.984 2.925 18 HA PHE 3 HA PHE 3 8.089 2.831 0.951 19 1HB PHE 3 HB2 PHE 3 7.443 -0.037 1.725 20 2HB PHE 3 HB1 PHE 3 6.879 0.775 0.265 21 HD1 PHE 3 HD1 PHE 3 9.065 2.178 -0.846 22 HD2 PHE 3 HD2 PHE 3 9.145 -1.570 1.260 23 HE1 PHE 3 HE1 PHE 3 11.179 1.575 -1.994 24 HE2 PHE 3 HE2 PHE 3 11.258 -2.168 0.109 25 HZ PHE 3 HZ PHE 3 12.275 -0.596 -1.516 26 H LYS 4 HN LYS 4 5.664 3.086 0.792 27 HA LYS 4 HA LYS 4 4.229 2.854 3.401 28 1HB LYS 4 HB2 LYS 4 5.412 5.081 3.130 29 2HB LYS 4 HB1 LYS 4 4.371 5.387 1.748 30 1HG LYS 4 HG2 LYS 4 2.392 5.304 3.098 31 2HG LYS 4 HG1 LYS 4 3.294 4.706 4.488 32 1HD LYS 4 HD2 LYS 4 4.079 6.777 5.040 33 2HD LYS 4 HD1 LYS 4 4.273 7.261 3.356 34 1HE LYS 4 HE2 LYS 4 2.223 8.251 3.299 35 2HE LYS 4 HE1 LYS 4 1.454 6.890 4.141 36 1HZ LYS 4 HZ1 LYS 4 2.258 7.654 6.213 37 2HZ LYS 4 HZ2 LYS 4 1.585 9.014 5.450 38 3HZ LYS 4 HZ3 LYS 4 3.271 8.807 5.492 39 H LEU 5 HN LEU 5 1.897 3.062 3.160 40 HA LEU 5 HA LEU 5 0.727 3.230 0.460 41 1HB LEU 5 HB2 LEU 5 1.603 0.798 1.124 42 2HB LEU 5 HB1 LEU 5 0.102 0.756 2.037 43 HG LEU 5 HG LEU 5 -0.315 1.826 -0.651 44 1HD1 LEU 5 HD11 LEU 5 1.641 0.064 -0.857 45 2HD1 LEU 5 HD12 LEU 5 0.292 0.029 -2.001 46 3HD1 LEU 5 HD13 LEU 5 0.332 -1.107 -0.643 47 1HD2 LEU 5 HD21 LEU 5 -2.033 -0.047 -0.621 48 2HD2 LEU 5 HD22 LEU 5 -2.171 1.124 0.691 49 3HD2 LEU 5 HD23 LEU 5 -1.441 -0.454 0.990 50 H ILE 6 HN ILE 6 -1.251 4.209 0.679 51 HA ILE 6 HA ILE 6 -2.394 4.465 3.423 52 HB ILE 6 HB ILE 6 -2.771 5.962 0.815 53 1HG1 ILE 6 HG12 ILE 6 -0.572 6.256 1.921 54 2HG1 ILE 6 HG11 ILE 6 -1.518 7.743 1.958 55 1HG2 ILE 6 HG21 ILE 6 -4.265 6.041 3.367 56 2HG2 ILE 6 HG22 ILE 6 -4.756 6.571 1.758 57 3HG2 ILE 6 HG23 ILE 6 -3.748 7.615 2.760 58 1HD1 ILE 6 HD11 ILE 6 -0.508 6.153 4.171 59 2HD1 ILE 6 HD12 ILE 6 -2.254 6.365 4.293 60 3HD1 ILE 6 HD13 ILE 6 -1.199 7.775 4.192 61 H ILE 7 HN ILE 7 -4.517 3.816 3.855 62 HA ILE 7 HA ILE 7 -5.756 1.980 1.879 63 HB ILE 7 HB ILE 7 -6.382 2.600 4.783 64 1HG1 ILE 7 HG12 ILE 7 -4.126 1.651 4.494 65 2HG1 ILE 7 HG11 ILE 7 -5.197 0.476 5.251 66 1HG2 ILE 7 HG21 ILE 7 -7.138 -0.003 3.599 67 2HG2 ILE 7 HG22 ILE 7 -8.029 1.382 2.972 68 3HG2 ILE 7 HG23 ILE 7 -8.036 1.039 4.702 69 1HD1 ILE 7 HD11 ILE 7 -3.840 0.368 2.645 70 2HD1 ILE 7 HD12 ILE 7 -5.550 -0.052 2.565 71 3HD1 ILE 7 HD13 ILE 7 -4.472 -0.945 3.637 72 H ASN 8 HN ASN 8 -7.134 3.005 0.472 73 HA ASN 8 HA ASN 8 -8.820 5.257 1.486 74 1HB ASN 8 HB2 ASN 8 -7.748 4.364 -1.185 75 2HB ASN 8 HB1 ASN 8 -9.132 5.455 -1.113 76 1HD2 ASN 8 HD21 ASN 8 -7.582 7.067 -2.143 77 2HD2 ASN 8 HD22 ASN 8 -6.520 7.930 -1.125 78 H GLY 9 HN GLY 9 -9.711 2.840 2.379 79 1HA GLY 9 HA2 GLY 9 -11.648 1.697 0.481 80 2HA GLY 9 HA1 GLY 9 -11.387 1.165 2.147 81 H LYS 10 HN LYS 10 -13.907 1.908 0.675 82 HA LYS 10 HA LYS 10 -14.986 4.381 1.473 83 1HB LYS 10 HB2 LYS 10 -16.271 1.649 1.186 84 2HB LYS 10 HB1 LYS 10 -17.160 3.173 1.216 85 1HG LYS 10 HG2 LYS 10 -15.695 3.916 -0.736 86 2HG LYS 10 HG1 LYS 10 -15.157 2.240 -0.850 87 1HD LYS 10 HD2 LYS 10 -17.560 1.544 -1.046 88 2HD LYS 10 HD1 LYS 10 -18.003 3.250 -1.105 89 1HE LYS 10 HE2 LYS 10 -16.129 3.266 -3.034 90 2HE LYS 10 HE1 LYS 10 -16.658 1.578 -3.177 91 1HZ LYS 10 HZ1 LYS 10 -18.911 2.262 -3.366 92 2HZ LYS 10 HZ2 LYS 10 -18.025 3.194 -4.477 93 3HZ LYS 10 HZ3 LYS 10 -18.530 3.875 -3.004 94 H THR 11 HN THR 11 -14.596 1.390 3.316 95 HA THR 11 HA THR 11 -15.795 2.748 5.710 96 HB THR 11 HB THR 11 -15.461 -0.223 5.267 97 HG1 THR 11 HG1 THR 11 -17.226 -0.241 4.090 98 1HG2 THR 11 HG21 THR 11 -17.410 -0.288 6.820 99 2HG2 THR 11 HG22 THR 11 -17.330 1.469 6.948 100 3HG2 THR 11 HG23 THR 11 -15.995 0.481 7.540 101 H LEU 12 HN LEU 12 -13.063 0.878 4.469 102 HA LEU 12 HA LEU 12 -11.721 1.011 7.136 103 1HB LEU 12 HB2 LEU 12 -11.209 -0.544 4.581 104 2HB LEU 12 HB1 LEU 12 -10.188 -0.649 6.016 105 HG LEU 12 HG LEU 12 -13.151 -1.069 6.275 106 1HD1 LEU 12 HD11 LEU 12 -11.295 -3.377 5.762 107 2HD1 LEU 12 HD12 LEU 12 -12.017 -2.519 4.401 108 3HD1 LEU 12 HD13 LEU 12 -13.050 -3.303 5.596 109 1HD2 LEU 12 HD21 LEU 12 -10.693 -2.130 7.708 110 2HD2 LEU 12 HD22 LEU 12 -12.356 -2.547 8.121 111 3HD2 LEU 12 HD23 LEU 12 -11.792 -0.886 8.305 112 H LYS 13 HN LYS 13 -9.723 2.069 7.359 113 HA LYS 13 HA LYS 13 -8.405 3.284 5.005 114 1HB LYS 13 HB2 LYS 13 -9.924 4.765 7.151 115 2HB LYS 13 HB1 LYS 13 -8.603 5.547 6.282 116 1HG LYS 13 HG2 LYS 13 -9.782 4.825 4.129 117 2HG LYS 13 HG1 LYS 13 -11.173 4.434 5.142 118 1HD LYS 13 HD2 LYS 13 -11.593 6.655 4.467 119 2HD LYS 13 HD1 LYS 13 -10.901 6.837 6.080 120 1HE LYS 13 HE2 LYS 13 -8.982 7.810 5.284 121 2HE LYS 13 HE1 LYS 13 -8.946 6.782 3.837 122 1HZ LYS 13 HZ1 LYS 13 -9.546 9.108 3.333 123 2HZ LYS 13 HZ2 LYS 13 -10.921 8.950 4.318 124 3HZ LYS 13 HZ3 LYS 13 -10.770 8.013 2.910 125 H GLY 14 HN GLY 14 -6.504 4.757 5.972 126 1HA GLY 14 HA2 GLY 14 -5.154 4.940 8.154 127 2HA GLY 14 HA1 GLY 14 -5.250 3.179 8.178 128 H GLU 15 HN GLU 15 -2.767 4.459 8.138 129 HA GLU 15 HA GLU 15 -1.807 4.087 5.322 130 1HB GLU 15 HB2 GLU 15 0.094 5.500 6.104 131 2HB GLU 15 HB1 GLU 15 -1.458 6.309 6.310 132 1HG GLU 15 HG2 GLU 15 -0.622 4.672 8.625 133 2HG GLU 15 HG1 GLU 15 0.426 6.049 8.289 134 H THR 16 HN THR 16 0.346 3.013 5.118 135 HA THR 16 HA THR 16 1.268 1.395 7.417 136 HB THR 16 HB THR 16 -0.611 0.111 6.494 137 HG1 THR 16 HG1 THR 16 0.884 -1.277 7.130 138 1HG2 THR 16 HG21 THR 16 -0.828 0.853 4.262 139 2HG2 THR 16 HG22 THR 16 -0.253 -0.805 4.103 140 3HG2 THR 16 HG23 THR 16 0.869 0.539 3.893 141 H THR 17 HN THR 17 3.402 0.639 7.126 142 HA THR 17 HA THR 17 4.722 1.234 4.504 143 HB THR 17 HB THR 17 6.630 2.134 5.907 144 HG1 THR 17 HG1 THR 17 6.415 2.193 8.000 145 1HG2 THR 17 HG21 THR 17 3.917 3.458 5.922 146 2HG2 THR 17 HG22 THR 17 5.274 3.761 4.837 147 3HG2 THR 17 HG23 THR 17 5.358 4.278 6.521 148 H THR 18 HN THR 18 6.699 -0.035 4.185 149 HA THR 18 HA THR 18 7.156 -2.236 6.120 150 HB THR 18 HB THR 18 5.809 -2.337 3.505 151 HG1 THR 18 HG1 THR 18 5.421 -4.513 4.417 152 1HG2 THR 18 HG21 THR 18 6.902 -4.355 2.648 153 2HG2 THR 18 HG22 THR 18 8.102 -4.282 3.940 154 3HG2 THR 18 HG23 THR 18 8.046 -3.014 2.713 155 H GLU 19 HN GLU 19 9.291 -3.188 5.856 156 HA GLU 19 HA GLU 19 11.205 -1.447 4.337 157 1HB GLU 19 HB2 GLU 19 11.315 -1.494 6.852 158 2HB GLU 19 HB1 GLU 19 11.665 -3.220 6.760 159 1HG GLU 19 HG2 GLU 19 13.363 -1.513 5.037 160 2HG GLU 19 HG1 GLU 19 13.586 -1.276 6.771 161 H ALA 20 HN ALA 20 12.012 -2.473 2.547 162 HA ALA 20 HA ALA 20 12.780 -5.331 2.707 163 1HB ALA 20 HB1 ALA 20 11.361 -5.439 0.422 164 2HB ALA 20 HB2 ALA 20 10.442 -4.183 1.255 165 3HB ALA 20 HB3 ALA 20 10.632 -5.775 1.993 166 H VAL 21 HN VAL 21 13.577 -5.971 0.346 167 HA VAL 21 HA VAL 21 15.828 -4.369 -0.335 168 HB VAL 21 HB VAL 21 15.534 -6.770 -0.844 169 1HG1 VAL 21 HG11 VAL 21 13.986 -7.600 -2.415 170 2HG1 VAL 21 HG12 VAL 21 13.700 -6.003 -3.104 171 3HG1 VAL 21 HG13 VAL 21 13.054 -6.405 -1.514 172 1HG2 VAL 21 HG21 VAL 21 16.800 -6.722 -2.771 173 2HG2 VAL 21 HG22 VAL 21 16.902 -5.020 -2.321 174 3HG2 VAL 21 HG23 VAL 21 15.750 -5.539 -3.551 175 H ASP 22 HN ASP 22 12.561 -4.487 -1.700 176 HA ASP 22 HA ASP 22 12.953 -1.827 -2.931 177 1HB ASP 22 HB2 ASP 22 13.885 -3.520 -4.494 178 2HB ASP 22 HB1 ASP 22 12.336 -4.363 -4.480 179 H ALA 23 HN ALA 23 10.842 -1.014 -3.799 180 HA ALA 23 HA ALA 23 8.635 -1.561 -2.052 181 1HB ALA 23 HB1 ALA 23 9.063 -0.093 -4.650 182 2HB ALA 23 HB2 ALA 23 8.702 0.568 -3.056 183 3HB ALA 23 HB3 ALA 23 7.437 -0.239 -3.983 184 H ALA 24 HN ALA 24 9.549 -2.852 -5.208 185 HA ALA 24 HA ALA 24 7.117 -4.060 -6.023 186 1HB ALA 24 HB1 ALA 24 8.774 -5.727 -7.096 187 2HB ALA 24 HB2 ALA 24 10.040 -4.787 -6.307 188 3HB ALA 24 HB3 ALA 24 8.988 -4.024 -7.500 189 H THR 25 HN THR 25 9.719 -5.415 -3.977 190 HA THR 25 HA THR 25 8.383 -7.910 -3.419 191 HB THR 25 HB THR 25 10.598 -6.320 -2.084 192 HG1 THR 25 HG1 THR 25 10.543 -8.631 -3.722 193 1HG2 THR 25 HG21 THR 25 9.501 -7.821 -0.425 194 2HG2 THR 25 HG22 THR 25 11.149 -8.334 -0.805 195 3HG2 THR 25 HG23 THR 25 9.775 -9.185 -1.513 196 H ALA 26 HN ALA 26 8.737 -4.891 -1.499 197 HA ALA 26 HA ALA 26 7.206 -5.713 0.747 198 1HB ALA 26 HB1 ALA 26 7.757 -3.036 -0.560 199 2HB ALA 26 HB2 ALA 26 8.538 -3.730 0.861 200 3HB ALA 26 HB3 ALA 26 6.866 -3.164 0.962 201 H GLU 27 HN GLU 27 6.129 -3.638 -1.965 202 HA GLU 27 HA GLU 27 3.455 -3.309 -1.461 203 1HB GLU 27 HB2 GLU 27 4.959 -2.642 -3.457 204 2HB GLU 27 HB1 GLU 27 4.439 -4.161 -4.188 205 1HG GLU 27 HG2 GLU 27 2.314 -2.416 -3.052 206 2HG GLU 27 HG1 GLU 27 3.089 -1.862 -4.535 207 H LYS 28 HN LYS 28 4.904 -6.340 -2.664 208 HA LYS 28 HA LYS 28 2.444 -7.718 -3.262 209 1HB LYS 28 HB2 LYS 28 5.138 -8.727 -2.262 210 2HB LYS 28 HB1 LYS 28 3.899 -9.731 -3.014 211 1HG LYS 28 HG2 LYS 28 4.223 -8.793 -5.120 212 2HG LYS 28 HG1 LYS 28 4.884 -7.295 -4.463 213 1HD LYS 28 HD2 LYS 28 6.863 -8.256 -5.140 214 2HD LYS 28 HD1 LYS 28 6.747 -9.004 -3.547 215 1HE LYS 28 HE2 LYS 28 5.532 -10.942 -4.633 216 2HE LYS 28 HE1 LYS 28 5.931 -10.222 -6.206 217 1HZ LYS 28 HZ1 LYS 28 7.893 -10.883 -4.072 218 2HZ LYS 28 HZ2 LYS 28 8.258 -10.211 -5.589 219 3HZ LYS 28 HZ3 LYS 28 7.645 -11.792 -5.482 220 H VAL 29 HN VAL 29 4.461 -7.526 -0.330 221 HA VAL 29 HA VAL 29 2.738 -9.140 1.353 222 HB VAL 29 HB VAL 29 4.929 -7.077 1.756 223 1HG1 VAL 29 HG11 VAL 29 3.384 -6.890 3.693 224 2HG1 VAL 29 HG12 VAL 29 4.936 -7.595 4.160 225 3HG1 VAL 29 HG13 VAL 29 3.524 -8.632 3.955 226 1HG2 VAL 29 HG21 VAL 29 6.260 -8.971 2.362 227 2HG2 VAL 29 HG22 VAL 29 5.367 -9.443 0.916 228 3HG2 VAL 29 HG23 VAL 29 4.840 -10.008 2.502 229 H LEU 30 HN LEU 30 2.942 -5.668 0.581 230 HA LEU 30 HA LEU 30 1.050 -4.782 2.541 231 1HB LEU 30 HB2 LEU 30 2.077 -3.755 -0.112 232 2HB LEU 30 HB1 LEU 30 0.872 -2.851 0.790 233 HG LEU 30 HG LEU 30 3.434 -2.314 1.097 234 1HD1 LEU 30 HD11 LEU 30 3.008 -1.738 3.511 235 2HD1 LEU 30 HD12 LEU 30 1.454 -2.571 3.359 236 3HD1 LEU 30 HD13 LEU 30 1.792 -1.146 2.373 237 1HD2 LEU 30 HD21 LEU 30 4.339 -4.423 1.685 238 2HD2 LEU 30 HD22 LEU 30 3.097 -4.718 2.899 239 3HD2 LEU 30 HD23 LEU 30 4.309 -3.482 3.162 240 H LYS 31 HN LYS 31 0.744 -6.206 -0.659 241 HA LYS 31 HA LYS 31 -2.053 -5.641 -1.141 242 1HB LYS 31 HB2 LYS 31 -0.063 -6.712 -2.589 243 2HB LYS 31 HB1 LYS 31 -0.695 -8.203 -1.934 244 1HG LYS 31 HG2 LYS 31 -2.503 -6.177 -3.254 245 2HG LYS 31 HG1 LYS 31 -1.671 -7.420 -4.187 246 1HD LYS 31 HD2 LYS 31 -3.580 -7.908 -1.877 247 2HD LYS 31 HD1 LYS 31 -3.926 -8.187 -3.582 248 1HE LYS 31 HE2 LYS 31 -1.511 -9.568 -3.079 249 2HE LYS 31 HE1 LYS 31 -2.575 -9.938 -1.702 250 1HZ LYS 31 HZ1 LYS 31 -2.953 -11.400 -3.663 251 2HZ LYS 31 HZ2 LYS 31 -3.437 -10.033 -4.549 252 3HZ LYS 31 HZ3 LYS 31 -4.333 -10.532 -3.194 253 H GLN 32 HN GLN 32 -0.283 -8.310 0.382 254 HA GLN 32 HA GLN 32 -2.430 -10.024 1.065 255 1HB GLN 32 HB2 GLN 32 0.320 -9.439 1.988 256 2HB GLN 32 HB1 GLN 32 -0.710 -10.293 3.137 257 1HG GLN 32 HG2 GLN 32 -1.312 -11.817 1.115 258 2HG GLN 32 HG1 GLN 32 0.153 -11.155 0.388 259 1HE2 GLN 32 HE21 GLN 32 2.223 -11.526 1.571 260 2HE2 GLN 32 HE22 GLN 32 2.355 -12.840 2.651 261 H TYR 33 HN TYR 33 -1.153 -7.150 2.714 262 HA TYR 33 HA TYR 33 -2.817 -7.277 5.076 263 1HB TYR 33 HB2 TYR 33 -0.811 -5.896 4.924 264 2HB TYR 33 HB1 TYR 33 -1.481 -5.002 3.561 265 HD1 TYR 33 HD1 TYR 33 -1.921 -5.752 7.158 266 HD2 TYR 33 HD2 TYR 33 -2.967 -3.175 3.892 267 HE1 TYR 33 HE1 TYR 33 -3.022 -4.211 8.737 268 HE2 TYR 33 HE2 TYR 33 -4.066 -1.617 5.475 269 HH TYR 33 HH TYR 33 -3.709 -1.136 8.133 270 H ILE 34 HN ILE 34 -3.187 -5.786 1.872 271 HA ILE 34 HA ILE 34 -5.721 -4.491 2.342 272 HB ILE 34 HB ILE 34 -4.395 -5.577 -0.165 273 1HG1 ILE 34 HG12 ILE 34 -3.125 -3.891 1.285 274 2HG1 ILE 34 HG11 ILE 34 -3.358 -3.440 -0.400 275 1HG2 ILE 34 HG21 ILE 34 -6.629 -5.178 -0.799 276 2HG2 ILE 34 HG22 ILE 34 -5.795 -3.687 -1.237 277 3HG2 ILE 34 HG23 ILE 34 -6.762 -3.756 0.236 278 1HD1 ILE 34 HD11 ILE 34 -3.953 -1.837 1.739 279 2HD1 ILE 34 HD12 ILE 34 -5.521 -2.575 1.412 280 3HD1 ILE 34 HD13 ILE 34 -4.686 -1.678 0.144 281 H ASN 35 HN ASN 35 -4.764 -7.760 1.453 282 HA ASN 35 HA ASN 35 -7.236 -8.781 0.473 283 1HB ASN 35 HB2 ASN 35 -4.909 -9.812 0.462 284 2HB ASN 35 HB1 ASN 35 -5.174 -10.235 2.154 285 1HD2 ASN 35 HD21 ASN 35 -5.427 -12.510 1.971 286 2HD2 ASN 35 HD22 ASN 35 -6.639 -13.245 1.037 287 H ASP 36 HN ASP 36 -6.106 -8.157 3.749 288 HA ASP 36 HA ASP 36 -8.227 -9.679 5.068 289 1HB ASP 36 HB2 ASP 36 -5.783 -8.824 5.780 290 2HB ASP 36 HB1 ASP 36 -6.725 -7.472 6.409 291 H ASN 37 HN ASN 37 -7.522 -6.175 4.735 292 HA ASN 37 HA ASN 37 -9.947 -5.227 5.911 293 1HB ASN 37 HB2 ASN 37 -8.174 -4.026 3.754 294 2HB ASN 37 HB1 ASN 37 -9.328 -3.126 4.742 295 1HD2 ASN 37 HD21 ASN 37 -8.248 -2.031 6.378 296 2HD2 ASN 37 HD22 ASN 37 -6.916 -2.641 7.253 297 H GLY 38 HN GLY 38 -9.203 -6.368 2.665 298 1HA GLY 38 HA2 GLY 38 -10.736 -7.074 1.002 299 2HA GLY 38 HA1 GLY 38 -12.058 -6.503 2.021 300 H ILE 39 HN ILE 39 -9.320 -4.456 1.230 301 HA ILE 39 HA ILE 39 -11.151 -2.768 -0.444 302 HB ILE 39 HB ILE 39 -8.769 -2.022 1.288 303 1HG1 ILE 39 HG12 ILE 39 -10.705 -2.749 2.631 304 2HG1 ILE 39 HG11 ILE 39 -10.470 -1.005 2.780 305 1HG2 ILE 39 HG21 ILE 39 -10.772 -0.316 -0.222 306 2HG2 ILE 39 HG22 ILE 39 -9.054 -0.478 -0.585 307 3HG2 ILE 39 HG23 ILE 39 -9.569 0.305 0.909 308 1HD1 ILE 39 HD11 ILE 39 -12.186 -0.751 0.900 309 2HD1 ILE 39 HD12 ILE 39 -12.817 -1.319 2.446 310 3HD1 ILE 39 HD13 ILE 39 -12.549 -2.461 1.129 311 H ASP 40 HN ASP 40 -10.408 -4.091 -2.327 312 HA ASP 40 HA ASP 40 -7.656 -3.304 -3.240 313 1HB ASP 40 HB2 ASP 40 -8.015 -5.722 -2.662 314 2HB ASP 40 HB1 ASP 40 -9.267 -5.791 -3.908 315 H GLY 41 HN GLY 41 -8.574 -1.403 -4.297 316 1HA GLY 41 HA2 GLY 41 -10.282 -2.055 -6.668 317 2HA GLY 41 HA1 GLY 41 -10.348 -0.506 -5.821 318 H GLU 42 HN GLU 42 -8.698 1.030 -6.194 319 HA GLU 42 HA GLU 42 -6.792 0.350 -8.410 320 1HB GLU 42 HB2 GLU 42 -8.898 2.343 -8.138 321 2HB GLU 42 HB1 GLU 42 -7.344 3.119 -8.442 322 1HG GLU 42 HG2 GLU 42 -7.116 2.169 -10.530 323 2HG GLU 42 HG1 GLU 42 -8.035 0.728 -10.092 324 H TRP 43 HN TRP 43 -4.698 0.593 -7.805 325 HA TRP 43 HA TRP 43 -4.046 2.131 -5.338 326 1HB TRP 43 HB2 TRP 43 -2.570 0.158 -7.104 327 2HB TRP 43 HB1 TRP 43 -1.812 0.977 -5.749 328 HD1 TRP 43 HD1 TRP 43 -5.438 -0.216 -5.405 329 HE1 TRP 43 HE1 TRP 43 -5.492 -2.182 -3.753 330 HE3 TRP 43 HE3 TRP 43 -0.441 -0.934 -4.741 331 HZ2 TRP 43 HZ2 TRP 43 -3.660 -3.811 -2.295 332 HZ3 TRP 43 HZ3 TRP 43 0.374 -2.692 -3.192 333 HH2 TRP 43 HH2 TRP 43 -1.218 -4.125 -1.979 334 H THR 44 HN THR 44 -1.985 3.438 -5.462 335 HA THR 44 HA THR 44 -1.231 4.463 -8.133 336 HB THR 44 HB THR 44 -1.702 6.790 -7.454 337 HG1 THR 44 HG1 THR 44 -2.679 7.212 -5.535 338 1HG2 THR 44 HG21 THR 44 -4.055 6.731 -7.785 339 2HG2 THR 44 HG22 THR 44 -4.203 5.158 -7.001 340 3HG2 THR 44 HG23 THR 44 -3.443 5.285 -8.587 341 H TYR 45 HN TYR 45 0.946 4.804 -8.113 342 HA TYR 45 HA TYR 45 2.371 4.697 -5.503 343 1HB TYR 45 HB2 TYR 45 2.935 3.146 -7.358 344 2HB TYR 45 HB1 TYR 45 3.325 4.526 -8.384 345 HD1 TYR 45 HD1 TYR 45 4.089 3.572 -4.828 346 HD2 TYR 45 HD2 TYR 45 5.614 4.816 -8.646 347 HE1 TYR 45 HE1 TYR 45 6.386 3.624 -3.894 348 HE2 TYR 45 HE2 TYR 45 7.909 4.869 -7.712 349 HH TYR 45 HH TYR 45 9.003 3.449 -5.443 350 H ASP 46 HN ASP 46 4.222 6.236 -5.198 351 HA ASP 46 HA ASP 46 4.000 8.782 -6.750 352 1HB ASP 46 HB2 ASP 46 4.033 8.559 -3.718 353 2HB ASP 46 HB1 ASP 46 3.916 10.046 -4.652 354 H ASP 47 HN ASP 47 6.021 9.432 -7.340 355 HA ASP 47 HA ASP 47 8.406 8.066 -6.406 356 1HB ASP 47 HB2 ASP 47 9.511 9.698 -7.925 357 2HB ASP 47 HB1 ASP 47 8.120 8.930 -8.688 358 H ALA 48 HN ALA 48 6.587 10.580 -5.013 359 HA ALA 48 HA ALA 48 8.454 12.441 -4.024 360 1HB ALA 48 HB1 ALA 48 6.234 12.932 -3.559 361 2HB ALA 48 HB2 ALA 48 6.717 12.278 -1.994 362 3HB ALA 48 HB3 ALA 48 5.845 11.261 -3.145 363 H THR 49 HN THR 49 7.173 9.769 -2.032 364 HA THR 49 HA THR 49 9.921 9.327 -0.920 365 HB THR 49 HB THR 49 8.612 10.785 0.571 366 HG1 THR 49 HG1 THR 49 9.930 9.099 1.458 367 1HG2 THR 49 HG21 THR 49 6.382 10.553 0.740 368 2HG2 THR 49 HG22 THR 49 6.595 8.958 1.460 369 3HG2 THR 49 HG23 THR 49 6.455 9.123 -0.291 370 H LYS 50 HN LYS 50 8.417 7.812 -2.925 371 HA LYS 50 HA LYS 50 7.839 5.591 -3.428 372 1HB LYS 50 HB2 LYS 50 9.339 5.124 -0.828 373 2HB LYS 50 HB1 LYS 50 9.034 3.914 -2.072 374 1HG LYS 50 HG2 LYS 50 10.319 5.267 -3.699 375 2HG LYS 50 HG1 LYS 50 10.647 6.456 -2.438 376 1HD LYS 50 HD2 LYS 50 11.435 3.534 -2.268 377 2HD LYS 50 HD1 LYS 50 12.524 4.829 -2.766 378 1HE LYS 50 HE2 LYS 50 11.557 5.876 -0.439 379 2HE LYS 50 HE1 LYS 50 11.545 4.143 -0.056 380 1HZ LYS 50 HZ1 LYS 50 13.816 4.000 -0.940 381 2HZ LYS 50 HZ2 LYS 50 13.723 5.050 0.393 382 3HZ LYS 50 HZ3 LYS 50 13.828 5.679 -1.182 383 H THR 51 HN THR 51 5.716 6.923 -2.330 384 HA THR 51 HA THR 51 4.611 5.180 -0.169 385 HB THR 51 HB THR 51 3.706 7.815 -1.393 386 HG1 THR 51 HG1 THR 51 4.440 8.610 0.630 387 1HG2 THR 51 HG21 THR 51 2.343 7.822 0.827 388 2HG2 THR 51 HG22 THR 51 2.589 6.076 0.797 389 3HG2 THR 51 HG23 THR 51 1.737 6.869 -0.528 390 H TRP 52 HN TRP 52 2.206 4.612 -0.510 391 HA TRP 52 HA TRP 52 1.573 4.133 -3.402 392 1HB TRP 52 HB2 TRP 52 1.711 2.238 -1.063 393 2HB TRP 52 HB1 TRP 52 0.721 1.876 -2.468 394 HD1 TRP 52 HD1 TRP 52 4.311 2.048 -1.313 395 HE1 TRP 52 HE1 TRP 52 5.838 1.145 -3.191 396 HE3 TRP 52 HE3 TRP 52 0.904 1.644 -5.037 397 HZ2 TRP 52 HZ2 TRP 52 5.614 0.345 -5.942 398 HZ3 TRP 52 HZ3 TRP 52 1.557 0.807 -7.288 399 HH2 TRP 52 HH2 TRP 52 3.909 0.155 -7.740 400 H THR 53 HN THR 53 -0.793 2.917 -3.242 401 HA THR 53 HA THR 53 -2.567 4.147 -1.237 402 HB THR 53 HB THR 53 -3.071 4.743 -4.150 403 HG1 THR 53 HG1 THR 53 -2.066 6.798 -3.674 404 1HG2 THR 53 HG21 THR 53 -4.961 5.386 -3.030 405 2HG2 THR 53 HG22 THR 53 -4.008 6.844 -2.751 406 3HG2 THR 53 HG23 THR 53 -4.107 5.602 -1.502 407 H VAL 54 HN VAL 54 -4.963 3.540 -1.947 408 HA VAL 54 HA VAL 54 -5.356 1.263 -3.695 409 HB VAL 54 HB VAL 54 -4.059 0.127 -1.974 410 1HG1 VAL 54 HG11 VAL 54 -4.049 1.177 0.024 411 2HG1 VAL 54 HG12 VAL 54 -5.469 0.195 0.380 412 3HG1 VAL 54 HG13 VAL 54 -5.661 1.845 -0.209 413 1HG2 VAL 54 HG21 VAL 54 -5.457 -1.671 -1.689 414 2HG2 VAL 54 HG22 VAL 54 -6.483 -0.751 -2.797 415 3HG2 VAL 54 HG23 VAL 54 -6.775 -0.677 -1.059 416 H THR 55 HN THR 55 -7.060 2.885 -4.200 417 HA THR 55 HA THR 55 -9.164 3.412 -2.220 418 HB THR 55 HB THR 55 -9.215 3.866 -5.213 419 HG1 THR 55 HG1 THR 55 -7.966 5.403 -3.183 420 1HG2 THR 55 HG21 THR 55 -11.254 4.310 -3.786 421 2HG2 THR 55 HG22 THR 55 -10.644 5.720 -4.653 422 3HG2 THR 55 HG23 THR 55 -10.307 5.529 -2.932 423 H GLU 56 HN GLU 56 -11.144 2.353 -2.097 424 HA GLU 56 HA GLU 56 -11.437 -0.307 -3.115 425 1HB GLU 56 HB2 GLU 56 -12.601 1.217 -1.202 426 2HB GLU 56 HB1 GLU 56 -13.853 1.296 -2.442 427 1HG GLU 56 HG2 GLU 56 -12.684 -1.388 -1.926 428 2HG GLU 56 HG1 GLU 56 -13.700 -0.720 -0.648 Start of MODEL 18 1 1H THR 1 HT1 THR 1 15.731 1.241 1.525 2 2H THR 1 HT2 THR 1 14.171 1.089 0.869 3 3H THR 1 HT3 THR 1 14.690 0.026 2.088 4 HA THR 1 HA THR 1 14.877 1.968 3.623 5 HB THR 1 HB THR 1 13.557 3.976 2.670 6 HG1 THR 1 HG1 THR 1 13.348 4.033 0.486 7 1HG2 THR 1 HG21 THR 1 16.091 3.434 1.142 8 2HG2 THR 1 HG22 THR 1 16.132 3.638 2.893 9 3HG2 THR 1 HG23 THR 1 15.537 4.943 1.868 10 H THR 2 HN THR 2 12.650 3.038 4.460 11 HA THR 2 HA THR 2 10.722 0.817 4.637 12 HB THR 2 HB THR 2 10.511 3.573 5.859 13 HG1 THR 2 HG1 THR 2 12.021 1.384 6.841 14 1HG2 THR 2 HG21 THR 2 9.720 1.965 7.781 15 2HG2 THR 2 HG22 THR 2 9.513 0.809 6.465 16 3HG2 THR 2 HG23 THR 2 8.627 2.334 6.447 17 H PHE 3 HN PHE 3 9.096 0.665 3.152 18 HA PHE 3 HA PHE 3 8.333 2.931 1.456 19 1HB PHE 3 HB2 PHE 3 7.299 0.094 1.787 20 2HB PHE 3 HB1 PHE 3 6.816 1.188 0.489 21 HD1 PHE 3 HD1 PHE 3 9.112 2.494 -0.470 22 HD2 PHE 3 HD2 PHE 3 8.831 -1.513 1.061 23 HE1 PHE 3 HE1 PHE 3 11.129 1.856 -1.765 24 HE2 PHE 3 HE2 PHE 3 10.847 -2.148 -0.234 25 HZ PHE 3 HZ PHE 3 11.996 -0.464 -1.646 26 H LYS 4 HN LYS 4 5.691 2.954 1.169 27 HA LYS 4 HA LYS 4 4.329 2.949 3.806 28 1HB LYS 4 HB2 LYS 4 5.706 5.140 3.198 29 2HB LYS 4 HB1 LYS 4 4.294 5.482 2.201 30 1HG LYS 4 HG2 LYS 4 2.891 4.996 4.290 31 2HG LYS 4 HG1 LYS 4 4.404 5.074 5.190 32 1HD LYS 4 HD2 LYS 4 3.964 7.299 5.320 33 2HD LYS 4 HD1 LYS 4 4.586 7.339 3.670 34 1HE LYS 4 HE2 LYS 4 2.513 7.717 2.778 35 2HE LYS 4 HE1 LYS 4 1.724 6.592 3.901 36 1HZ LYS 4 HZ1 LYS 4 2.049 8.208 5.679 37 2HZ LYS 4 HZ2 LYS 4 1.118 8.873 4.422 38 3HZ LYS 4 HZ3 LYS 4 2.756 9.295 4.586 39 H LEU 5 HN LEU 5 2.042 2.964 3.588 40 HA LEU 5 HA LEU 5 0.842 3.290 0.895 41 1HB LEU 5 HB2 LEU 5 1.688 0.840 1.507 42 2HB LEU 5 HB1 LEU 5 0.201 0.800 2.443 43 HG LEU 5 HG LEU 5 -0.249 1.909 -0.222 44 1HD1 LEU 5 HD11 LEU 5 0.309 0.113 -1.599 45 2HD1 LEU 5 HD12 LEU 5 0.399 -1.025 -0.246 46 3HD1 LEU 5 HD13 LEU 5 1.690 0.155 -0.496 47 1HD2 LEU 5 HD21 LEU 5 -1.359 -0.431 1.354 48 2HD2 LEU 5 HD22 LEU 5 -2.000 0.096 -0.202 49 3HD2 LEU 5 HD23 LEU 5 -2.071 1.175 1.191 50 H ILE 6 HN ILE 6 -1.223 4.130 1.086 51 HA ILE 6 HA ILE 6 -2.328 4.398 3.855 52 HB ILE 6 HB ILE 6 -2.688 5.997 1.303 53 1HG1 ILE 6 HG12 ILE 6 -0.464 6.202 2.378 54 2HG1 ILE 6 HG11 ILE 6 -1.375 7.707 2.486 55 1HG2 ILE 6 HG21 ILE 6 -3.691 7.658 3.070 56 2HG2 ILE 6 HG22 ILE 6 -3.967 6.196 4.017 57 3HG2 ILE 6 HG23 ILE 6 -4.706 6.368 2.425 58 1HD1 ILE 6 HD11 ILE 6 -1.015 7.651 4.713 59 2HD1 ILE 6 HD12 ILE 6 -0.359 6.018 4.621 60 3HD1 ILE 6 HD13 ILE 6 -2.097 6.260 4.784 61 H ILE 7 HN ILE 7 -4.300 3.488 4.299 62 HA ILE 7 HA ILE 7 -5.630 1.867 2.225 63 HB ILE 7 HB ILE 7 -6.211 2.351 5.169 64 1HG1 ILE 7 HG12 ILE 7 -4.785 0.032 3.827 65 2HG1 ILE 7 HG11 ILE 7 -3.959 1.357 4.647 66 1HG2 ILE 7 HG21 ILE 7 -8.189 1.430 4.315 67 2HG2 ILE 7 HG22 ILE 7 -7.288 -0.009 4.792 68 3HG2 ILE 7 HG23 ILE 7 -7.336 0.480 3.099 69 1HD1 ILE 7 HD11 ILE 7 -4.115 -0.286 6.324 70 2HD1 ILE 7 HD12 ILE 7 -5.737 -0.770 5.827 71 3HD1 ILE 7 HD13 ILE 7 -5.492 0.763 6.665 72 H ASN 8 HN ASN 8 -7.202 2.765 0.964 73 HA ASN 8 HA ASN 8 -8.810 5.039 2.083 74 1HB ASN 8 HB2 ASN 8 -7.678 4.366 -0.625 75 2HB ASN 8 HB1 ASN 8 -9.082 5.427 -0.505 76 1HD2 ASN 8 HD21 ASN 8 -7.593 7.170 -1.348 77 2HD2 ASN 8 HD22 ASN 8 -6.546 7.956 -0.255 78 H GLY 9 HN GLY 9 -9.727 2.563 2.769 79 1HA GLY 9 HA2 GLY 9 -11.593 1.532 0.753 80 2HA GLY 9 HA1 GLY 9 -11.429 0.945 2.414 81 H LYS 10 HN LYS 10 -13.946 1.452 1.182 82 HA LYS 10 HA LYS 10 -15.129 3.957 1.650 83 1HB LYS 10 HB2 LYS 10 -16.207 1.136 1.880 84 2HB LYS 10 HB1 LYS 10 -17.230 2.572 1.837 85 1HG LYS 10 HG2 LYS 10 -16.562 3.120 -0.372 86 2HG LYS 10 HG1 LYS 10 -15.178 2.028 -0.310 87 1HD LYS 10 HD2 LYS 10 -16.694 0.091 -0.215 88 2HD LYS 10 HD1 LYS 10 -18.087 1.173 -0.255 89 1HE LYS 10 HE2 LYS 10 -17.127 2.084 -2.462 90 2HE LYS 10 HE1 LYS 10 -16.064 0.662 -2.448 91 1HZ LYS 10 HZ1 LYS 10 -17.934 -0.777 -2.300 92 2HZ LYS 10 HZ2 LYS 10 -18.239 0.295 -3.582 93 3HZ LYS 10 HZ3 LYS 10 -19.006 0.519 -2.083 94 H THR 11 HN THR 11 -14.305 1.413 3.938 95 HA THR 11 HA THR 11 -15.309 3.157 6.165 96 HB THR 11 HB THR 11 -15.282 0.133 6.172 97 HG1 THR 11 HG1 THR 11 -17.388 0.217 5.451 98 1HG2 THR 11 HG21 THR 11 -15.607 1.809 8.227 99 2HG2 THR 11 HG22 THR 11 -16.526 0.309 8.103 100 3HG2 THR 11 HG23 THR 11 -17.261 1.837 7.615 101 H LEU 12 HN LEU 12 -13.051 0.552 5.233 102 HA LEU 12 HA LEU 12 -11.410 0.903 7.643 103 1HB LEU 12 HB2 LEU 12 -11.188 -0.707 5.086 104 2HB LEU 12 HB1 LEU 12 -9.998 -0.797 6.386 105 HG LEU 12 HG LEU 12 -12.938 -1.205 6.924 106 1HD1 LEU 12 HD11 LEU 12 -12.826 -3.459 6.387 107 2HD1 LEU 12 HD12 LEU 12 -11.073 -3.523 6.573 108 3HD1 LEU 12 HD13 LEU 12 -11.781 -2.788 5.134 109 1HD2 LEU 12 HD21 LEU 12 -11.923 -1.048 8.983 110 2HD2 LEU 12 HD22 LEU 12 -10.348 -1.541 8.360 111 3HD2 LEU 12 HD23 LEU 12 -11.592 -2.752 8.672 112 H LYS 13 HN LYS 13 -9.661 2.254 7.801 113 HA LYS 13 HA LYS 13 -8.278 3.197 5.342 114 1HB LYS 13 HB2 LYS 13 -10.085 4.730 7.122 115 2HB LYS 13 HB1 LYS 13 -8.565 5.535 6.732 116 1HG LYS 13 HG2 LYS 13 -9.008 5.519 4.418 117 2HG LYS 13 HG1 LYS 13 -10.233 4.259 4.570 118 1HD LYS 13 HD2 LYS 13 -11.866 5.732 5.224 119 2HD LYS 13 HD1 LYS 13 -10.727 6.779 6.072 120 1HE LYS 13 HE2 LYS 13 -9.838 7.231 3.593 121 2HE LYS 13 HE1 LYS 13 -11.507 6.785 3.183 122 1HZ LYS 13 HZ1 LYS 13 -12.350 8.390 4.692 123 2HZ LYS 13 HZ2 LYS 13 -11.184 9.187 3.747 124 3HZ LYS 13 HZ3 LYS 13 -10.813 8.707 5.334 125 H GLY 14 HN GLY 14 -6.487 4.903 6.279 126 1HA GLY 14 HA2 GLY 14 -5.200 5.224 8.492 127 2HA GLY 14 HA1 GLY 14 -5.146 3.461 8.524 128 H GLU 15 HN GLU 15 -2.793 3.640 8.473 129 HA GLU 15 HA GLU 15 -1.765 3.871 5.689 130 1HB GLU 15 HB2 GLU 15 0.074 5.328 6.508 131 2HB GLU 15 HB1 GLU 15 -1.502 6.077 6.756 132 1HG GLU 15 HG2 GLU 15 -1.262 4.750 9.104 133 2HG GLU 15 HG1 GLU 15 0.441 5.051 8.756 134 H THR 16 HN THR 16 0.449 2.889 5.515 135 HA THR 16 HA THR 16 1.380 1.235 7.776 136 HB THR 16 HB THR 16 -0.483 -0.064 6.837 137 HG1 THR 16 HG1 THR 16 1.987 -1.145 5.973 138 1HG2 THR 16 HG21 THR 16 -0.148 -0.939 4.445 139 2HG2 THR 16 HG22 THR 16 1.011 0.376 4.244 140 3HG2 THR 16 HG23 THR 16 -0.678 0.734 4.610 141 H THR 17 HN THR 17 3.453 0.208 7.301 142 HA THR 17 HA THR 17 4.794 1.105 4.780 143 HB THR 17 HB THR 17 6.706 1.851 6.163 144 HG1 THR 17 HG1 THR 17 6.731 1.519 8.252 145 1HG2 THR 17 HG21 THR 17 4.535 3.286 7.540 146 2HG2 THR 17 HG22 THR 17 4.333 3.184 5.791 147 3HG2 THR 17 HG23 THR 17 5.792 3.906 6.470 148 H THR 18 HN THR 18 6.739 -0.183 4.306 149 HA THR 18 HA THR 18 7.119 -2.630 5.931 150 HB THR 18 HB THR 18 5.610 -2.399 3.444 151 HG1 THR 18 HG1 THR 18 4.857 -3.673 5.017 152 1HG2 THR 18 HG21 THR 18 7.803 -2.919 2.378 153 2HG2 THR 18 HG22 THR 18 6.611 -4.202 2.158 154 3HG2 THR 18 HG23 THR 18 7.901 -4.391 3.347 155 H GLU 19 HN GLU 19 9.146 -3.756 5.295 156 HA GLU 19 HA GLU 19 11.125 -1.903 4.005 157 1HB GLU 19 HB2 GLU 19 11.263 -2.368 6.509 158 2HB GLU 19 HB1 GLU 19 11.626 -4.044 6.093 159 1HG GLU 19 HG2 GLU 19 13.406 -2.800 4.488 160 2HG GLU 19 HG1 GLU 19 13.308 -1.610 5.788 161 H ALA 20 HN ALA 20 11.680 -2.717 2.017 162 HA ALA 20 HA ALA 20 12.313 -5.611 1.769 163 1HB ALA 20 HB1 ALA 20 10.829 -5.262 -0.469 164 2HB ALA 20 HB2 ALA 20 10.003 -4.138 0.612 165 3HB ALA 20 HB3 ALA 20 10.143 -5.842 1.049 166 H VAL 21 HN VAL 21 13.041 -5.974 -0.656 167 HA VAL 21 HA VAL 21 15.355 -4.401 -1.188 168 HB VAL 21 HB VAL 21 14.932 -6.712 -1.969 169 1HG1 VAL 21 HG11 VAL 21 13.113 -5.581 -4.086 170 2HG1 VAL 21 HG12 VAL 21 12.470 -6.157 -2.548 171 3HG1 VAL 21 HG13 VAL 21 13.334 -7.265 -3.614 172 1HG2 VAL 21 HG21 VAL 21 15.729 -4.517 -3.797 173 2HG2 VAL 21 HG22 VAL 21 15.401 -6.073 -4.558 174 3HG2 VAL 21 HG23 VAL 21 16.628 -5.949 -3.298 175 H ASP 22 HN ASP 22 12.061 -4.213 -2.476 176 HA ASP 22 HA ASP 22 12.598 -1.461 -3.449 177 1HB ASP 22 HB2 ASP 22 13.257 -3.076 -5.219 178 2HB ASP 22 HB1 ASP 22 11.642 -3.781 -5.156 179 H ALA 23 HN ALA 23 10.539 -0.362 -4.013 180 HA ALA 23 HA ALA 23 8.414 -0.853 -2.175 181 1HB ALA 23 HB1 ALA 23 8.484 1.319 -2.990 182 2HB ALA 23 HB2 ALA 23 7.227 0.661 -4.038 183 3HB ALA 23 HB3 ALA 23 8.884 0.798 -4.627 184 H ALA 24 HN ALA 24 8.880 -1.893 -5.535 185 HA ALA 24 HA ALA 24 6.277 -2.874 -6.115 186 1HB ALA 24 HB1 ALA 24 7.503 -4.295 -7.743 187 2HB ALA 24 HB2 ALA 24 9.011 -3.939 -6.902 188 3HB ALA 24 HB3 ALA 24 8.136 -2.649 -7.726 189 H THR 25 HN THR 25 9.044 -4.523 -4.572 190 HA THR 25 HA THR 25 7.755 -7.059 -4.177 191 HB THR 25 HB THR 25 10.047 -5.588 -2.830 192 HG1 THR 25 HG1 THR 25 9.907 -7.761 -4.644 193 1HG2 THR 25 HG21 THR 25 9.261 -8.498 -2.468 194 2HG2 THR 25 HG22 THR 25 9.071 -7.239 -1.243 195 3HG2 THR 25 HG23 THR 25 10.685 -7.712 -1.785 196 H ALA 26 HN ALA 26 8.116 -4.201 -2.059 197 HA ALA 26 HA ALA 26 6.822 -5.265 0.233 198 1HB ALA 26 HB1 ALA 26 8.095 -3.223 0.334 199 2HB ALA 26 HB2 ALA 26 6.425 -2.791 0.721 200 3HB ALA 26 HB3 ALA 26 7.078 -2.459 -0.889 201 H GLU 27 HN GLU 27 5.385 -3.006 -2.170 202 HA GLU 27 HA GLU 27 2.768 -2.973 -1.329 203 1HB GLU 27 HB2 GLU 27 2.202 -2.476 -3.675 204 2HB GLU 27 HB1 GLU 27 3.709 -1.694 -3.211 205 1HG GLU 27 HG2 GLU 27 4.970 -2.990 -4.614 206 2HG GLU 27 HG1 GLU 27 3.965 -4.414 -4.380 207 H LYS 28 HN LYS 28 4.327 -5.738 -2.865 208 HA LYS 28 HA LYS 28 1.894 -7.168 -3.546 209 1HB LYS 28 HB2 LYS 28 4.714 -8.107 -2.876 210 2HB LYS 28 HB1 LYS 28 3.480 -9.093 -3.661 211 1HG LYS 28 HG2 LYS 28 3.549 -7.846 -5.638 212 2HG LYS 28 HG1 LYS 28 4.231 -6.431 -4.836 213 1HD LYS 28 HD2 LYS 28 6.183 -7.182 -5.758 214 2HD LYS 28 HD1 LYS 28 6.193 -8.243 -4.348 215 1HE LYS 28 HE2 LYS 28 5.634 -10.111 -5.582 216 2HE LYS 28 HE1 LYS 28 4.660 -9.180 -6.738 217 1HZ LYS 28 HZ1 LYS 28 7.625 -9.162 -6.518 218 2HZ LYS 28 HZ2 LYS 28 6.722 -8.162 -7.555 219 3HZ LYS 28 HZ3 LYS 28 6.719 -9.846 -7.779 220 H VAL 29 HN VAL 29 4.091 -7.127 -0.749 221 HA VAL 29 HA VAL 29 2.590 -9.051 0.839 222 HB VAL 29 HB VAL 29 4.735 -6.957 1.312 223 1HG1 VAL 29 HG11 VAL 29 4.950 -7.726 3.638 224 2HG1 VAL 29 HG12 VAL 29 3.559 -8.791 3.431 225 3HG1 VAL 29 HG13 VAL 29 3.345 -7.038 3.372 226 1HG2 VAL 29 HG21 VAL 29 6.088 -8.972 1.813 227 2HG2 VAL 29 HG22 VAL 29 5.377 -9.050 0.201 228 3HG2 VAL 29 HG23 VAL 29 4.672 -9.982 1.523 229 H LEU 30 HN LEU 30 2.582 -5.513 0.461 230 HA LEU 30 HA LEU 30 0.819 -4.955 2.659 231 1HB LEU 30 HB2 LEU 30 1.560 -3.565 0.075 232 2HB LEU 30 HB1 LEU 30 0.431 -2.837 1.201 233 HG LEU 30 HG LEU 30 3.008 -2.241 1.304 234 1HD1 LEU 30 HD11 LEU 30 2.801 -1.928 3.790 235 2HD1 LEU 30 HD12 LEU 30 1.263 -2.799 3.703 236 3HD1 LEU 30 HD13 LEU 30 1.462 -1.271 2.842 237 1HD2 LEU 30 HD21 LEU 30 2.894 -4.825 2.873 238 2HD2 LEU 30 HD22 LEU 30 4.106 -3.589 3.136 239 3HD2 LEU 30 HD23 LEU 30 4.001 -4.382 1.577 240 H LYS 31 HN LYS 31 0.346 -5.895 -0.707 241 HA LYS 31 HA LYS 31 -2.486 -5.459 -0.948 242 1HB LYS 31 HB2 LYS 31 -0.549 -6.261 -2.614 243 2HB LYS 31 HB1 LYS 31 -1.071 -7.849 -2.104 244 1HG LYS 31 HG2 LYS 31 -3.052 -5.786 -3.072 245 2HG LYS 31 HG1 LYS 31 -2.214 -6.856 -4.195 246 1HD LYS 31 HD2 LYS 31 -3.955 -7.730 -1.866 247 2HD LYS 31 HD1 LYS 31 -4.387 -7.821 -3.572 248 1HE LYS 31 HE2 LYS 31 -1.879 -9.110 -3.368 249 2HE LYS 31 HE1 LYS 31 -2.844 -9.707 -1.998 250 1HZ LYS 31 HZ1 LYS 31 -3.266 -10.945 -4.090 251 2HZ LYS 31 HZ2 LYS 31 -3.839 -9.510 -4.797 252 3HZ LYS 31 HZ3 LYS 31 -4.657 -10.195 -3.474 253 H GLN 32 HN GLN 32 -0.533 -8.211 0.151 254 HA GLN 32 HA GLN 32 -2.576 -10.084 0.735 255 1HB GLN 32 HB2 GLN 32 0.207 -9.509 1.562 256 2HB GLN 32 HB1 GLN 32 -0.724 -10.536 2.652 257 1HG GLN 32 HG2 GLN 32 -1.375 -11.904 0.600 258 2HG GLN 32 HG1 GLN 32 -0.131 -11.007 -0.271 259 1HE2 GLN 32 HE21 GLN 32 2.140 -11.189 0.598 260 2HE2 GLN 32 HE22 GLN 32 2.586 -12.599 1.450 261 H TYR 33 HN TYR 33 -1.269 -7.403 2.673 262 HA TYR 33 HA TYR 33 -2.829 -7.884 5.068 263 1HB TYR 33 HB2 TYR 33 -0.826 -6.475 5.022 264 2HB TYR 33 HB1 TYR 33 -1.572 -5.397 3.844 265 HD1 TYR 33 HD1 TYR 33 -1.826 -6.688 7.303 266 HD2 TYR 33 HD2 TYR 33 -3.052 -3.657 4.523 267 HE1 TYR 33 HE1 TYR 33 -2.856 -5.420 9.151 268 HE2 TYR 33 HE2 TYR 33 -4.080 -2.376 6.377 269 HH TYR 33 HH TYR 33 -3.803 -2.191 8.865 270 H ILE 34 HN ILE 34 -3.291 -5.922 2.146 271 HA ILE 34 HA ILE 34 -5.810 -4.726 2.849 272 HB ILE 34 HB ILE 34 -4.535 -5.467 0.196 273 1HG1 ILE 34 HG12 ILE 34 -3.291 -3.951 1.864 274 2HG1 ILE 34 HG11 ILE 34 -3.497 -3.333 0.230 275 1HG2 ILE 34 HG21 ILE 34 -6.774 -3.509 0.776 276 2HG2 ILE 34 HG22 ILE 34 -6.930 -5.035 -0.095 277 3HG2 ILE 34 HG23 ILE 34 -5.981 -3.719 -0.786 278 1HD1 ILE 34 HD11 ILE 34 -3.997 -1.599 1.908 279 2HD1 ILE 34 HD12 ILE 34 -5.228 -2.641 2.625 280 3HD1 ILE 34 HD13 ILE 34 -5.444 -2.015 0.989 281 H ASN 35 HN ASN 35 -4.900 -7.874 1.571 282 HA ASN 35 HA ASN 35 -7.355 -8.768 0.466 283 1HB ASN 35 HB2 ASN 35 -5.034 -9.824 0.446 284 2HB ASN 35 HB1 ASN 35 -5.384 -10.417 2.069 285 1HD2 ASN 35 HD21 ASN 35 -5.080 -11.921 -0.581 286 2HD2 ASN 35 HD22 ASN 35 -6.503 -12.838 -0.710 287 H ASP 36 HN ASP 36 -6.356 -8.406 3.816 288 HA ASP 36 HA ASP 36 -8.490 -10.052 4.943 289 1HB ASP 36 HB2 ASP 36 -6.614 -7.955 6.085 290 2HB ASP 36 HB1 ASP 36 -7.646 -9.003 7.060 291 H ASN 37 HN ASN 37 -7.865 -6.517 4.938 292 HA ASN 37 HA ASN 37 -10.404 -5.750 6.015 293 1HB ASN 37 HB2 ASN 37 -8.439 -4.320 4.191 294 2HB ASN 37 HB1 ASN 37 -9.750 -3.523 5.068 295 1HD2 ASN 37 HD21 ASN 37 -8.117 -2.281 6.310 296 2HD2 ASN 37 HD22 ASN 37 -7.251 -3.031 7.574 297 H GLY 38 HN GLY 38 -9.363 -6.523 2.742 298 1HA GLY 38 HA2 GLY 38 -10.749 -7.087 0.899 299 2HA GLY 38 HA1 GLY 38 -12.157 -6.605 1.847 300 H ILE 39 HN ILE 39 -9.360 -4.517 1.480 301 HA ILE 39 HA ILE 39 -11.065 -2.622 -0.093 302 HB ILE 39 HB ILE 39 -8.709 -2.223 1.783 303 1HG1 ILE 39 HG12 ILE 39 -10.798 -2.830 2.932 304 2HG1 ILE 39 HG11 ILE 39 -10.407 -1.135 3.231 305 1HG2 ILE 39 HG21 ILE 39 -9.586 0.243 1.554 306 2HG2 ILE 39 HG22 ILE 39 -10.231 -0.329 0.016 307 3HG2 ILE 39 HG23 ILE 39 -8.498 -0.409 0.329 308 1HD1 ILE 39 HD11 ILE 39 -12.535 -0.714 2.567 309 2HD1 ILE 39 HD12 ILE 39 -12.709 -2.301 1.819 310 3HD1 ILE 39 HD13 ILE 39 -11.934 -0.989 0.932 311 H ASP 40 HN ASP 40 -10.272 -4.046 -1.991 312 HA ASP 40 HA ASP 40 -7.556 -3.139 -2.900 313 1HB ASP 40 HB2 ASP 40 -7.848 -5.579 -2.410 314 2HB ASP 40 HB1 ASP 40 -9.127 -5.636 -3.628 315 H GLY 41 HN GLY 41 -8.387 -1.250 -3.977 316 1HA GLY 41 HA2 GLY 41 -10.168 -1.843 -6.310 317 2HA GLY 41 HA1 GLY 41 -10.229 -0.316 -5.425 318 H GLU 42 HN GLU 42 -8.480 1.190 -5.692 319 HA GLU 42 HA GLU 42 -6.691 0.606 -8.032 320 1HB GLU 42 HB2 GLU 42 -8.708 2.674 -7.509 321 2HB GLU 42 HB1 GLU 42 -7.152 3.354 -7.984 322 1HG GLU 42 HG2 GLU 42 -7.251 2.475 -10.095 323 2HG GLU 42 HG1 GLU 42 -8.097 1.021 -9.563 324 H TRP 43 HN TRP 43 -4.587 0.681 -7.399 325 HA TRP 43 HA TRP 43 -3.826 2.248 -4.977 326 1HB TRP 43 HB2 TRP 43 -2.469 0.121 -6.665 327 2HB TRP 43 HB1 TRP 43 -1.669 0.947 -5.341 328 HD1 TRP 43 HD1 TRP 43 -5.356 -0.121 -5.062 329 HE1 TRP 43 HE1 TRP 43 -5.521 -1.972 -3.294 330 HE3 TRP 43 HE3 TRP 43 -0.413 -0.859 -4.125 331 HZ2 TRP 43 HZ2 TRP 43 -3.789 -3.529 -1.653 332 HZ3 TRP 43 HZ3 TRP 43 0.309 -2.524 -2.427 333 HH2 TRP 43 HH2 TRP 43 -1.368 -3.853 -1.195 334 H THR 44 HN THR 44 -1.738 3.489 -5.166 335 HA THR 44 HA THR 44 -0.962 4.332 -7.899 336 HB THR 44 HB THR 44 -1.336 6.704 -7.344 337 HG1 THR 44 HG1 THR 44 -2.448 7.190 -5.422 338 1HG2 THR 44 HG21 THR 44 -3.695 6.719 -7.613 339 2HG2 THR 44 HG22 THR 44 -3.885 5.207 -6.724 340 3HG2 THR 44 HG23 THR 44 -3.167 5.198 -8.335 341 H TYR 45 HN TYR 45 1.225 4.607 -7.937 342 HA TYR 45 HA TYR 45 2.690 4.577 -5.345 343 1HB TYR 45 HB2 TYR 45 3.156 2.897 -7.114 344 2HB TYR 45 HB1 TYR 45 3.590 4.194 -8.223 345 HD1 TYR 45 HD1 TYR 45 4.370 3.499 -4.609 346 HD2 TYR 45 HD2 TYR 45 5.886 4.279 -8.552 347 HE1 TYR 45 HE1 TYR 45 6.686 3.505 -3.718 348 HE2 TYR 45 HE2 TYR 45 8.198 4.282 -7.663 349 HH TYR 45 HH TYR 45 9.367 4.594 -5.584 350 H ASP 46 HN ASP 46 4.560 6.072 -5.117 351 HA ASP 46 HA ASP 46 4.626 8.435 -6.909 352 1HB ASP 46 HB2 ASP 46 4.317 9.946 -4.941 353 2HB ASP 46 HB1 ASP 46 2.897 8.951 -5.254 354 H ASP 47 HN ASP 47 6.754 8.778 -7.295 355 HA ASP 47 HA ASP 47 8.865 7.557 -5.730 356 1HB ASP 47 HB2 ASP 47 8.902 8.006 -8.181 357 2HB ASP 47 HB1 ASP 47 8.948 9.736 -7.840 358 H ALA 48 HN ALA 48 7.166 10.570 -5.433 359 HA ALA 48 HA ALA 48 9.111 12.326 -4.380 360 1HB ALA 48 HB1 ALA 48 7.042 13.307 -4.675 361 2HB ALA 48 HB2 ALA 48 6.926 12.971 -2.947 362 3HB ALA 48 HB3 ALA 48 6.174 11.879 -4.110 363 H THR 49 HN THR 49 7.440 9.623 -2.828 364 HA THR 49 HA THR 49 9.408 9.658 -0.622 365 HB THR 49 HB THR 49 7.665 11.224 0.089 366 HG1 THR 49 HG1 THR 49 7.344 8.712 1.362 367 1HG2 THR 49 HG21 THR 49 5.745 10.685 -1.140 368 2HG2 THR 49 HG22 THR 49 5.329 10.131 0.482 369 3HG2 THR 49 HG23 THR 49 5.853 8.971 -0.739 370 H LYS 50 HN LYS 50 8.346 7.849 -2.886 371 HA LYS 50 HA LYS 50 7.868 5.563 -3.214 372 1HB LYS 50 HB2 LYS 50 9.149 5.457 -0.466 373 2HB LYS 50 HB1 LYS 50 9.041 4.122 -1.606 374 1HG LYS 50 HG2 LYS 50 10.229 6.532 -2.793 375 2HG LYS 50 HG1 LYS 50 11.153 5.913 -1.425 376 1HD LYS 50 HD2 LYS 50 10.605 3.590 -2.730 377 2HD LYS 50 HD1 LYS 50 10.689 4.707 -4.092 378 1HE LYS 50 HE2 LYS 50 12.835 4.459 -1.952 379 2HE LYS 50 HE1 LYS 50 12.924 3.723 -3.565 380 1HZ LYS 50 HZ1 LYS 50 13.970 5.840 -3.704 381 2HZ LYS 50 HZ2 LYS 50 12.677 6.609 -2.914 382 3HZ LYS 50 HZ3 LYS 50 12.467 5.982 -4.479 383 H THR 51 HN THR 51 5.800 7.237 -1.746 384 HA THR 51 HA THR 51 4.584 5.374 0.184 385 HB THR 51 HB THR 51 3.769 8.028 -1.050 386 HG1 THR 51 HG1 THR 51 4.192 8.655 1.177 387 1HG2 THR 51 HG21 THR 51 2.082 8.052 0.861 388 2HG2 THR 51 HG22 THR 51 2.387 6.323 1.037 389 3HG2 THR 51 HG23 THR 51 1.708 6.951 -0.465 390 H TRP 52 HN TRP 52 2.220 4.747 -0.206 391 HA TRP 52 HA TRP 52 1.698 4.152 -3.100 392 1HB TRP 52 HB2 TRP 52 1.756 2.405 -0.647 393 2HB TRP 52 HB1 TRP 52 0.786 1.958 -2.046 394 HD1 TRP 52 HD1 TRP 52 4.345 2.138 -0.818 395 HE1 TRP 52 HE1 TRP 52 5.907 1.120 -2.604 396 HE3 TRP 52 HE3 TRP 52 1.045 1.632 -4.634 397 HZ2 TRP 52 HZ2 TRP 52 5.752 0.199 -5.319 398 HZ3 TRP 52 HZ3 TRP 52 1.752 0.676 -6.818 399 HH2 TRP 52 HH2 TRP 52 4.103 -0.040 -7.162 400 H THR 53 HN THR 53 -0.699 2.943 -2.945 401 HA THR 53 HA THR 53 -2.512 4.315 -1.081 402 HB THR 53 HB THR 53 -2.782 4.782 -4.060 403 HG1 THR 53 HG1 THR 53 -1.967 6.902 -3.498 404 1HG2 THR 53 HG21 THR 53 -4.848 5.268 -3.147 405 2HG2 THR 53 HG22 THR 53 -4.051 6.828 -2.939 406 3HG2 THR 53 HG23 THR 53 -4.168 5.709 -1.580 407 H VAL 54 HN VAL 54 -4.851 3.666 -1.630 408 HA VAL 54 HA VAL 54 -5.376 1.393 -3.344 409 HB VAL 54 HB VAL 54 -4.020 0.181 -1.759 410 1HG1 VAL 54 HG11 VAL 54 -3.734 1.469 0.121 411 2HG1 VAL 54 HG12 VAL 54 -4.896 0.297 0.741 412 3HG1 VAL 54 HG13 VAL 54 -5.440 1.893 0.225 413 1HG2 VAL 54 HG21 VAL 54 -6.675 -0.390 -0.515 414 2HG2 VAL 54 HG22 VAL 54 -5.470 -1.511 -1.155 415 3HG2 VAL 54 HG23 VAL 54 -6.525 -0.617 -2.258 416 H THR 55 HN THR 55 -7.129 2.906 -3.803 417 HA THR 55 HA THR 55 -9.109 3.426 -1.656 418 HB THR 55 HB THR 55 -9.113 4.209 -4.586 419 HG1 THR 55 HG1 THR 55 -7.849 5.860 -4.063 420 1HG2 THR 55 HG21 THR 55 -10.579 5.993 -3.861 421 2HG2 THR 55 HG22 THR 55 -10.356 5.547 -2.169 422 3HG2 THR 55 HG23 THR 55 -11.231 4.470 -3.258 423 H GLU 56 HN GLU 56 -11.238 2.595 -1.725 424 HA GLU 56 HA GLU 56 -11.621 0.195 -3.448 425 1HB GLU 56 HB2 GLU 56 -11.865 0.382 -0.855 426 2HB GLU 56 HB1 GLU 56 -13.409 1.152 -1.215 427 1HG GLU 56 HG2 GLU 56 -13.728 -1.258 -0.879 428 2HG GLU 56 HG1 GLU 56 -14.072 -0.828 -2.552 Start of MODEL 19 1 1H THR 1 HT1 THR 1 13.236 6.012 6.990 2 2H THR 1 HT2 THR 1 12.275 7.357 7.381 3 3H THR 1 HT3 THR 1 12.628 7.005 5.756 4 HA THR 1 HA THR 1 11.086 5.172 7.516 5 HB THR 1 HB THR 1 9.997 7.370 7.324 6 HG1 THR 1 HG1 THR 1 8.123 6.626 6.139 7 1HG2 THR 1 HG21 THR 1 11.030 8.298 5.374 8 2HG2 THR 1 HG22 THR 1 9.319 8.118 4.984 9 3HG2 THR 1 HG23 THR 1 10.491 6.953 4.369 10 H THR 2 HN THR 2 10.294 3.371 6.350 11 HA THR 2 HA THR 2 11.653 2.816 3.773 12 HB THR 2 HB THR 2 9.835 0.887 5.151 13 HG1 THR 2 HG1 THR 2 11.105 0.654 6.864 14 1HG2 THR 2 HG21 THR 2 12.232 -0.341 4.775 15 2HG2 THR 2 HG22 THR 2 12.301 0.888 3.512 16 3HG2 THR 2 HG23 THR 2 10.974 -0.271 3.543 17 H PHE 3 HN PHE 3 9.740 1.015 2.717 18 HA PHE 3 HA PHE 3 8.060 2.716 1.179 19 1HB PHE 3 HB2 PHE 3 7.704 -0.232 1.821 20 2HB PHE 3 HB1 PHE 3 7.092 0.607 0.399 21 HD1 PHE 3 HD1 PHE 3 9.448 2.322 -0.301 22 HD2 PHE 3 HD2 PHE 3 9.249 -1.789 0.943 23 HE1 PHE 3 HE1 PHE 3 11.583 1.861 -1.474 24 HE2 PHE 3 HE2 PHE 3 11.385 -2.244 -0.229 25 HZ PHE 3 HZ PHE 3 12.552 -0.420 -1.435 26 H LYS 4 HN LYS 4 6.056 3.563 1.572 27 HA LYS 4 HA LYS 4 4.571 2.632 4.013 28 1HB LYS 4 HB2 LYS 4 5.771 4.950 3.894 29 2HB LYS 4 HB1 LYS 4 4.458 5.397 2.809 30 1HG LYS 4 HG2 LYS 4 2.858 4.572 4.620 31 2HG LYS 4 HG1 LYS 4 4.256 4.515 5.690 32 1HD LYS 4 HD2 LYS 4 3.804 6.685 6.133 33 2HD LYS 4 HD1 LYS 4 4.503 7.014 4.548 34 1HE LYS 4 HE2 LYS 4 2.476 7.550 3.655 35 2HE LYS 4 HE1 LYS 4 1.675 6.172 4.436 36 1HZ LYS 4 HZ1 LYS 4 0.951 8.315 5.368 37 2HZ LYS 4 HZ2 LYS 4 2.552 8.645 5.834 38 3HZ LYS 4 HZ3 LYS 4 1.714 7.340 6.527 39 H LEU 5 HN LEU 5 2.228 2.718 3.829 40 HA LEU 5 HA LEU 5 1.065 3.262 1.151 41 1HB LEU 5 HB2 LEU 5 1.886 0.760 1.622 42 2HB LEU 5 HB1 LEU 5 0.359 0.677 2.488 43 HG LEU 5 HG LEU 5 -0.008 1.984 -0.085 44 1HD1 LEU 5 HD11 LEU 5 1.993 0.326 -0.463 45 2HD1 LEU 5 HD12 LEU 5 0.647 0.345 -1.608 46 3HD1 LEU 5 HD13 LEU 5 0.737 -0.915 -0.365 47 1HD2 LEU 5 HD21 LEU 5 -1.100 -0.507 1.254 48 2HD2 LEU 5 HD22 LEU 5 -1.679 0.085 -0.304 49 3HD2 LEU 5 HD23 LEU 5 -1.869 1.076 1.142 50 H ILE 6 HN ILE 6 -1.199 3.695 1.281 51 HA ILE 6 HA ILE 6 -2.296 3.891 4.069 52 HB ILE 6 HB ILE 6 -2.509 5.749 1.680 53 1HG1 ILE 6 HG12 ILE 6 -0.357 5.805 2.906 54 2HG1 ILE 6 HG11 ILE 6 -1.259 7.306 3.117 55 1HG2 ILE 6 HG21 ILE 6 -3.645 7.251 3.452 56 2HG2 ILE 6 HG22 ILE 6 -3.907 5.758 4.354 57 3HG2 ILE 6 HG23 ILE 6 -4.608 5.952 2.747 58 1HD1 ILE 6 HD11 ILE 6 -2.147 5.664 5.203 59 2HD1 ILE 6 HD12 ILE 6 -1.010 7.005 5.342 60 3HD1 ILE 6 HD13 ILE 6 -0.413 5.362 5.113 61 H ILE 7 HN ILE 7 -4.231 2.866 4.340 62 HA ILE 7 HA ILE 7 -5.517 1.522 2.069 63 HB ILE 7 HB ILE 7 -6.206 1.706 5.021 64 1HG1 ILE 7 HG12 ILE 7 -4.788 -0.526 3.539 65 2HG1 ILE 7 HG11 ILE 7 -3.927 0.748 4.403 66 1HG2 ILE 7 HG21 ILE 7 -7.305 -0.567 4.403 67 2HG2 ILE 7 HG22 ILE 7 -7.224 0.015 2.739 68 3HG2 ILE 7 HG23 ILE 7 -8.151 0.912 3.942 69 1HD1 ILE 7 HD11 ILE 7 -5.669 0.015 6.329 70 2HD1 ILE 7 HD12 ILE 7 -4.087 -0.742 6.139 71 3HD1 ILE 7 HD13 ILE 7 -5.523 -1.520 5.474 72 H ASN 8 HN ASN 8 -6.994 2.595 0.832 73 HA ASN 8 HA ASN 8 -8.644 4.750 2.111 74 1HB ASN 8 HB2 ASN 8 -7.422 4.311 -0.603 75 2HB ASN 8 HB1 ASN 8 -8.842 5.345 -0.452 76 1HD2 ASN 8 HD21 ASN 8 -7.364 7.173 -1.086 77 2HD2 ASN 8 HD22 ASN 8 -6.362 7.876 0.103 78 H GLY 9 HN GLY 9 -9.626 2.261 2.574 79 1HA GLY 9 HA2 GLY 9 -11.439 1.447 0.403 80 2HA GLY 9 HA1 GLY 9 -11.297 0.667 1.983 81 H LYS 10 HN LYS 10 -13.787 1.358 0.740 82 HA LYS 10 HA LYS 10 -14.973 3.780 1.527 83 1HB LYS 10 HB2 LYS 10 -16.104 0.970 1.382 84 2HB LYS 10 HB1 LYS 10 -17.082 2.438 1.419 85 1HG LYS 10 HG2 LYS 10 -15.781 3.213 -0.628 86 2HG LYS 10 HG1 LYS 10 -15.124 1.579 -0.724 87 1HD LYS 10 HD2 LYS 10 -17.246 0.623 -1.134 88 2HD LYS 10 HD1 LYS 10 -18.098 2.058 -0.563 89 1HE LYS 10 HE2 LYS 10 -17.708 3.241 -2.536 90 2HE LYS 10 HE1 LYS 10 -16.258 2.296 -2.932 91 1HZ LYS 10 HZ1 LYS 10 -19.080 1.377 -3.005 92 2HZ LYS 10 HZ2 LYS 10 -17.750 0.326 -3.120 93 3HZ LYS 10 HZ3 LYS 10 -18.010 1.506 -4.314 94 H THR 11 HN THR 11 -15.326 0.680 3.298 95 HA THR 11 HA THR 11 -15.791 2.228 5.804 96 HB THR 11 HB THR 11 -16.446 -0.336 6.370 97 HG1 THR 11 HG1 THR 11 -17.294 -1.307 4.564 98 1HG2 THR 11 HG21 THR 11 -18.660 0.361 6.219 99 2HG2 THR 11 HG22 THR 11 -18.380 1.249 4.721 100 3HG2 THR 11 HG23 THR 11 -17.808 1.904 6.255 101 H LEU 12 HN LEU 12 -13.103 1.460 4.474 102 HA LEU 12 HA LEU 12 -11.885 0.282 6.930 103 1HB LEU 12 HB2 LEU 12 -11.708 -0.674 4.071 104 2HB LEU 12 HB1 LEU 12 -10.473 -1.088 5.259 105 HG LEU 12 HG LEU 12 -13.422 -1.586 5.715 106 1HD1 LEU 12 HD11 LEU 12 -11.531 -3.805 5.075 107 2HD1 LEU 12 HD12 LEU 12 -12.113 -2.820 3.733 108 3HD1 LEU 12 HD13 LEU 12 -13.261 -3.678 4.759 109 1HD2 LEU 12 HD21 LEU 12 -10.846 -2.299 7.101 110 2HD2 LEU 12 HD22 LEU 12 -12.265 -3.329 7.292 111 3HD2 LEU 12 HD23 LEU 12 -12.329 -1.638 7.791 112 H LYS 13 HN LYS 13 -9.664 0.916 7.213 113 HA LYS 13 HA LYS 13 -8.233 2.504 5.236 114 1HB LYS 13 HB2 LYS 13 -10.096 3.735 7.139 115 2HB LYS 13 HB1 LYS 13 -8.474 4.413 7.258 116 1HG LYS 13 HG2 LYS 13 -9.377 4.034 4.482 117 2HG LYS 13 HG1 LYS 13 -10.380 5.158 5.397 118 1HD LYS 13 HD2 LYS 13 -7.408 5.417 5.625 119 2HD LYS 13 HD1 LYS 13 -8.184 5.991 4.149 120 1HE LYS 13 HE2 LYS 13 -9.461 7.608 5.299 121 2HE LYS 13 HE1 LYS 13 -9.253 6.790 6.860 122 1HZ LYS 13 HZ1 LYS 13 -6.918 7.273 6.814 123 2HZ LYS 13 HZ2 LYS 13 -7.766 8.728 6.590 124 3HZ LYS 13 HZ3 LYS 13 -7.033 7.955 5.266 125 H GLY 14 HN GLY 14 -6.339 3.726 6.579 126 1HA GLY 14 HA2 GLY 14 -5.197 3.385 8.889 127 2HA GLY 14 HA1 GLY 14 -5.258 1.678 8.454 128 H GLU 15 HN GLU 15 -2.833 3.082 8.943 129 HA GLU 15 HA GLU 15 -1.626 3.356 6.215 130 1HB GLU 15 HB2 GLU 15 -1.479 5.290 7.731 131 2HB GLU 15 HB1 GLU 15 -0.753 4.277 8.977 132 1HG GLU 15 HG2 GLU 15 0.694 4.051 6.453 133 2HG GLU 15 HG1 GLU 15 0.613 5.725 6.999 134 H THR 16 HN THR 16 0.358 2.200 5.784 135 HA THR 16 HA THR 16 1.314 0.255 7.817 136 HB THR 16 HB THR 16 -0.564 -0.846 6.670 137 HG1 THR 16 HG1 THR 16 0.540 -2.630 6.490 138 1HG2 THR 16 HG21 THR 16 -0.311 -1.329 4.204 139 2HG2 THR 16 HG22 THR 16 1.009 -0.158 4.171 140 3HG2 THR 16 HG23 THR 16 -0.626 0.363 4.585 141 H THR 17 HN THR 17 3.416 -0.594 7.306 142 HA THR 17 HA THR 17 4.769 0.513 4.879 143 HB THR 17 HB THR 17 6.620 1.273 6.315 144 HG1 THR 17 HG1 THR 17 6.695 0.209 8.125 145 1HG2 THR 17 HG21 THR 17 4.259 2.549 5.984 146 2HG2 THR 17 HG22 THR 17 5.611 3.247 6.875 147 3HG2 THR 17 HG23 THR 17 4.300 2.450 7.744 148 H THR 18 HN THR 18 6.765 -0.674 4.367 149 HA THR 18 HA THR 18 7.214 -3.191 5.864 150 HB THR 18 HB THR 18 5.837 -2.833 3.290 151 HG1 THR 18 HG1 THR 18 5.041 -4.100 4.937 152 1HG2 THR 18 HG21 THR 18 8.137 -4.811 3.342 153 2HG2 THR 18 HG22 THR 18 8.059 -3.348 2.358 154 3HG2 THR 18 HG23 THR 18 6.915 -4.663 2.076 155 H GLU 19 HN GLU 19 9.287 -4.238 5.044 156 HA GLU 19 HA GLU 19 11.210 -2.196 3.970 157 1HB GLU 19 HB2 GLU 19 11.420 -2.613 6.409 158 2HB GLU 19 HB1 GLU 19 11.613 -4.337 6.090 159 1HG GLU 19 HG2 GLU 19 13.437 -2.545 4.584 160 2HG GLU 19 HG1 GLU 19 13.707 -2.621 6.326 161 H ALA 20 HN ALA 20 11.970 -2.908 2.006 162 HA ALA 20 HA ALA 20 12.772 -5.735 1.670 163 1HB ALA 20 HB1 ALA 20 10.350 -4.438 0.512 164 2HB ALA 20 HB2 ALA 20 10.608 -6.121 0.975 165 3HB ALA 20 HB3 ALA 20 11.260 -5.516 -0.548 166 H VAL 21 HN VAL 21 13.462 -5.968 -0.807 167 HA VAL 21 HA VAL 21 15.676 -4.264 -1.301 168 HB VAL 21 HB VAL 21 15.659 -5.373 -3.524 169 1HG1 VAL 21 HG11 VAL 21 14.731 -7.455 -1.570 170 2HG1 VAL 21 HG12 VAL 21 16.198 -6.539 -1.226 171 3HG1 VAL 21 HG13 VAL 21 16.088 -7.508 -2.695 172 1HG2 VAL 21 HG21 VAL 21 12.837 -6.037 -2.676 173 2HG2 VAL 21 HG22 VAL 21 13.705 -7.088 -3.793 174 3HG2 VAL 21 HG23 VAL 21 13.408 -5.404 -4.219 175 H ASP 22 HN ASP 22 12.353 -4.114 -2.558 176 HA ASP 22 HA ASP 22 12.717 -1.258 -3.228 177 1HB ASP 22 HB2 ASP 22 13.547 -2.518 -5.190 178 2HB ASP 22 HB1 ASP 22 12.022 -3.401 -5.268 179 H ALA 23 HN ALA 23 10.608 -0.240 -3.690 180 HA ALA 23 HA ALA 23 8.469 -1.149 -2.033 181 1HB ALA 23 HB1 ALA 23 7.279 0.537 -3.816 182 2HB ALA 23 HB2 ALA 23 8.976 0.931 -4.090 183 3HB ALA 23 HB3 ALA 23 8.281 1.095 -2.477 184 H ALA 24 HN ALA 24 9.261 -1.842 -5.387 185 HA ALA 24 HA ALA 24 6.733 -2.777 -6.326 186 1HB ALA 24 HB1 ALA 24 8.273 -4.176 -7.838 187 2HB ALA 24 HB2 ALA 24 9.616 -3.492 -6.922 188 3HB ALA 24 HB3 ALA 24 8.552 -2.434 -7.848 189 H THR 25 HN THR 25 9.408 -4.533 -4.734 190 HA THR 25 HA THR 25 8.069 -7.089 -4.635 191 HB THR 25 HB THR 25 10.362 -5.805 -3.111 192 HG1 THR 25 HG1 THR 25 11.372 -6.385 -4.829 193 1HG2 THR 25 HG21 THR 25 9.319 -7.599 -1.732 194 2HG2 THR 25 HG22 THR 25 10.942 -8.033 -2.280 195 3HG2 THR 25 HG23 THR 25 9.528 -8.723 -3.079 196 H ALA 26 HN ALA 26 8.538 -4.507 -2.192 197 HA ALA 26 HA ALA 26 7.109 -5.739 -0.070 198 1HB ALA 26 HB1 ALA 26 8.452 -3.821 0.374 199 2HB ALA 26 HB2 ALA 26 6.794 -3.260 0.617 200 3HB ALA 26 HB3 ALA 26 7.651 -2.873 -0.880 201 H GLU 27 HN GLU 27 5.931 -3.213 -2.321 202 HA GLU 27 HA GLU 27 3.284 -2.975 -1.625 203 1HB GLU 27 HB2 GLU 27 4.509 -1.804 -3.454 204 2HB GLU 27 HB1 GLU 27 4.364 -3.255 -4.447 205 1HG GLU 27 HG2 GLU 27 1.796 -3.016 -3.878 206 2HG GLU 27 HG1 GLU 27 2.232 -1.333 -3.580 207 H LYS 28 HN LYS 28 4.663 -5.731 -3.411 208 HA LYS 28 HA LYS 28 2.170 -6.982 -4.146 209 1HB LYS 28 HB2 LYS 28 4.901 -8.153 -3.478 210 2HB LYS 28 HB1 LYS 28 3.625 -8.994 -4.358 211 1HG LYS 28 HG2 LYS 28 3.864 -7.663 -6.253 212 2HG LYS 28 HG1 LYS 28 4.562 -6.321 -5.346 213 1HD LYS 28 HD2 LYS 28 6.510 -7.116 -6.263 214 2HD LYS 28 HD1 LYS 28 6.445 -8.195 -4.869 215 1HE LYS 28 HE2 LYS 28 5.427 -9.956 -6.192 216 2HE LYS 28 HE1 LYS 28 5.255 -8.867 -7.583 217 1HZ LYS 28 HZ1 LYS 28 7.798 -9.706 -6.295 218 2HZ LYS 28 HZ2 LYS 28 7.681 -8.531 -7.516 219 3HZ LYS 28 HZ3 LYS 28 7.260 -10.145 -7.842 220 H VAL 29 HN VAL 29 4.314 -7.295 -1.322 221 HA VAL 29 HA VAL 29 2.674 -9.208 0.117 222 HB VAL 29 HB VAL 29 4.898 -7.248 0.764 223 1HG1 VAL 29 HG11 VAL 29 3.579 -9.135 2.747 224 2HG1 VAL 29 HG12 VAL 29 3.453 -7.373 2.782 225 3HG1 VAL 29 HG13 VAL 29 5.015 -8.154 3.048 226 1HG2 VAL 29 HG21 VAL 29 5.860 -9.636 1.439 227 2HG2 VAL 29 HG22 VAL 29 5.848 -9.100 -0.241 228 3HG2 VAL 29 HG23 VAL 29 4.594 -10.193 0.344 229 H LEU 30 HN LEU 30 2.848 -5.655 -0.035 230 HA LEU 30 HA LEU 30 1.050 -5.137 2.138 231 1HB LEU 30 HB2 LEU 30 1.962 -3.659 -0.336 232 2HB LEU 30 HB1 LEU 30 0.798 -2.933 0.759 233 HG LEU 30 HG LEU 30 3.372 -2.443 1.043 234 1HD1 LEU 30 HD11 LEU 30 3.044 -2.277 3.533 235 2HD1 LEU 30 HD12 LEU 30 1.488 -3.089 3.310 236 3HD1 LEU 30 HD13 LEU 30 1.779 -1.517 2.560 237 1HD2 LEU 30 HD21 LEU 30 3.107 -5.128 2.407 238 2HD2 LEU 30 HD22 LEU 30 4.313 -3.946 2.863 239 3HD2 LEU 30 HD23 LEU 30 4.314 -4.603 1.238 240 H LYS 31 HN LYS 31 0.609 -5.895 -1.273 241 HA LYS 31 HA LYS 31 -2.198 -5.290 -1.530 242 1HB LYS 31 HB2 LYS 31 -0.272 -6.061 -3.222 243 2HB LYS 31 HB1 LYS 31 -0.871 -7.655 -2.830 244 1HG LYS 31 HG2 LYS 31 -2.744 -5.445 -3.679 245 2HG LYS 31 HG1 LYS 31 -1.936 -6.471 -4.862 246 1HD LYS 31 HD2 LYS 31 -3.750 -7.426 -2.622 247 2HD LYS 31 HD1 LYS 31 -4.158 -7.378 -4.336 248 1HE LYS 31 HE2 LYS 31 -1.711 -8.789 -4.189 249 2HE LYS 31 HE1 LYS 31 -2.726 -9.437 -2.880 250 1HZ LYS 31 HZ1 LYS 31 -4.582 -9.508 -4.528 251 2HZ LYS 31 HZ2 LYS 31 -3.316 -10.590 -4.868 252 3HZ LYS 31 HZ3 LYS 31 -3.460 -9.143 -5.746 253 H GLN 32 HN GLN 32 -0.390 -8.196 -0.606 254 HA GLN 32 HA GLN 32 -2.518 -10.015 -0.179 255 1HB GLN 32 HB2 GLN 32 0.269 -9.606 0.750 256 2HB GLN 32 HB1 GLN 32 -0.725 -10.704 1.707 257 1HG GLN 32 HG2 GLN 32 -1.379 -11.718 -0.619 258 2HG GLN 32 HG1 GLN 32 0.104 -10.937 -1.168 259 1HE2 GLN 32 HE21 GLN 32 1.316 -12.911 -1.442 260 2HE2 GLN 32 HE22 GLN 32 1.768 -13.889 -0.119 261 H TYR 33 HN TYR 33 -1.118 -7.553 1.973 262 HA TYR 33 HA TYR 33 -2.689 -8.135 4.325 263 1HB TYR 33 HB2 TYR 33 -0.658 -6.760 4.330 264 2HB TYR 33 HB1 TYR 33 -1.412 -5.591 3.247 265 HD1 TYR 33 HD1 TYR 33 -1.617 -7.123 6.611 266 HD2 TYR 33 HD2 TYR 33 -2.849 -3.883 4.082 267 HE1 TYR 33 HE1 TYR 33 -2.588 -5.976 8.567 268 HE2 TYR 33 HE2 TYR 33 -3.819 -2.723 6.045 269 HH TYR 33 HH TYR 33 -4.571 -4.130 8.826 270 H ILE 34 HN ILE 34 -3.168 -6.046 1.505 271 HA ILE 34 HA ILE 34 -5.654 -4.837 2.346 272 HB ILE 34 HB ILE 34 -4.438 -5.370 -0.383 273 1HG1 ILE 34 HG12 ILE 34 -3.111 -4.054 1.417 274 2HG1 ILE 34 HG11 ILE 34 -3.276 -3.328 -0.174 275 1HG2 ILE 34 HG21 ILE 34 -6.794 -3.743 0.503 276 2HG2 ILE 34 HG22 ILE 34 -6.611 -4.763 -0.924 277 3HG2 ILE 34 HG23 ILE 34 -5.826 -3.185 -0.863 278 1HD1 ILE 34 HD11 ILE 34 -4.901 -1.782 0.590 279 2HD1 ILE 34 HD12 ILE 34 -3.699 -1.824 1.881 280 3HD1 ILE 34 HD13 ILE 34 -5.214 -2.710 2.058 281 H ASN 35 HN ASN 35 -4.800 -7.884 0.819 282 HA ASN 35 HA ASN 35 -7.286 -8.627 -0.347 283 1HB ASN 35 HB2 ASN 35 -4.999 -9.721 -0.528 284 2HB ASN 35 HB1 ASN 35 -5.292 -10.426 1.062 285 1HD2 ASN 35 HD21 ASN 35 -5.514 -12.629 0.360 286 2HD2 ASN 35 HD22 ASN 35 -6.782 -13.147 -0.643 287 H ASP 36 HN ASP 36 -6.168 -8.710 2.999 288 HA ASP 36 HA ASP 36 -8.301 -10.381 4.036 289 1HB ASP 36 HB2 ASP 36 -5.918 -9.555 4.941 290 2HB ASP 36 HB1 ASP 36 -6.917 -8.311 5.694 291 H ASN 37 HN ASN 37 -7.817 -6.869 3.726 292 HA ASN 37 HA ASN 37 -10.350 -6.207 5.047 293 1HB ASN 37 HB2 ASN 37 -8.352 -4.612 3.404 294 2HB ASN 37 HB1 ASN 37 -9.674 -3.908 4.343 295 1HD2 ASN 37 HD21 ASN 37 -9.101 -3.299 6.428 296 2HD2 ASN 37 HD22 ASN 37 -7.805 -3.958 7.320 297 H GLY 38 HN GLY 38 -9.200 -6.709 1.758 298 1HA GLY 38 HA2 GLY 38 -10.489 -7.078 -0.191 299 2HA GLY 38 HA1 GLY 38 -11.946 -6.778 0.757 300 H ILE 39 HN ILE 39 -9.119 -4.655 0.383 301 HA ILE 39 HA ILE 39 -10.920 -2.643 -0.933 302 HB ILE 39 HB ILE 39 -8.681 -2.262 1.085 303 1HG1 ILE 39 HG12 ILE 39 -10.726 -3.221 2.078 304 2HG1 ILE 39 HG11 ILE 39 -10.503 -1.551 2.604 305 1HG2 ILE 39 HG21 ILE 39 -8.844 -0.382 -0.497 306 2HG2 ILE 39 HG22 ILE 39 -9.408 0.101 1.103 307 3HG2 ILE 39 HG23 ILE 39 -10.573 -0.251 -0.174 308 1HD1 ILE 39 HD11 ILE 39 -12.050 -0.891 0.669 309 2HD1 ILE 39 HD12 ILE 39 -12.810 -1.731 2.020 310 3HD1 ILE 39 HD13 ILE 39 -12.442 -2.605 0.534 311 H ASP 40 HN ASP 40 -9.995 -3.633 -2.971 312 HA ASP 40 HA ASP 40 -7.238 -2.586 -3.539 313 1HB ASP 40 HB2 ASP 40 -7.090 -4.506 -5.124 314 2HB ASP 40 HB1 ASP 40 -7.369 -5.041 -3.465 315 H GLY 41 HN GLY 41 -7.197 -1.030 -5.112 316 1HA GLY 41 HA2 GLY 41 -9.088 -1.126 -7.363 317 2HA GLY 41 HA1 GLY 41 -9.267 0.274 -6.300 318 H GLU 42 HN GLU 42 -7.539 1.816 -6.199 319 HA GLU 42 HA GLU 42 -5.513 1.553 -8.398 320 1HB GLU 42 HB2 GLU 42 -7.430 3.708 -7.592 321 2HB GLU 42 HB1 GLU 42 -5.879 4.193 -8.279 322 1HG GLU 42 HG2 GLU 42 -7.019 3.950 -10.251 323 2HG GLU 42 HG1 GLU 42 -6.551 2.262 -10.041 324 H TRP 43 HN TRP 43 -3.490 1.495 -7.538 325 HA TRP 43 HA TRP 43 -2.995 2.725 -4.866 326 1HB TRP 43 HB2 TRP 43 -1.532 0.737 -6.623 327 2HB TRP 43 HB1 TRP 43 -0.828 1.398 -5.160 328 HD1 TRP 43 HD1 TRP 43 -4.551 0.433 -5.377 329 HE1 TRP 43 HE1 TRP 43 -4.948 -1.546 -3.789 330 HE3 TRP 43 HE3 TRP 43 0.235 -0.491 -3.958 331 HZ2 TRP 43 HZ2 TRP 43 -3.429 -3.271 -2.090 332 HZ3 TRP 43 HZ3 TRP 43 0.748 -2.298 -2.332 333 HH2 TRP 43 HH2 TRP 43 -1.078 -3.683 -1.398 334 H THR 44 HN THR 44 -2.873 4.986 -5.722 335 HA THR 44 HA THR 44 -1.081 5.761 -7.826 336 HB THR 44 HB THR 44 -1.300 8.002 -6.769 337 HG1 THR 44 HG1 THR 44 -2.882 6.744 -4.798 338 1HG2 THR 44 HG21 THR 44 -3.987 7.728 -6.562 339 2HG2 THR 44 HG22 THR 44 -3.589 6.215 -7.378 340 3HG2 THR 44 HG23 THR 44 -3.137 7.756 -8.107 341 H TYR 45 HN TYR 45 1.113 5.860 -7.814 342 HA TYR 45 HA TYR 45 2.564 5.284 -5.279 343 1HB TYR 45 HB2 TYR 45 2.932 3.933 -7.325 344 2HB TYR 45 HB1 TYR 45 3.429 5.384 -8.193 345 HD1 TYR 45 HD1 TYR 45 5.726 5.443 -8.527 346 HD2 TYR 45 HD2 TYR 45 4.195 3.971 -4.795 347 HE1 TYR 45 HE1 TYR 45 8.042 5.154 -7.691 348 HE2 TYR 45 HE2 TYR 45 6.511 3.681 -3.959 349 HH TYR 45 HH TYR 45 9.204 3.725 -5.954 350 H ASP 46 HN ASP 46 4.540 6.591 -4.808 351 HA ASP 46 HA ASP 46 4.817 9.206 -6.144 352 1HB ASP 46 HB2 ASP 46 4.398 10.430 -4.011 353 2HB ASP 46 HB1 ASP 46 2.971 9.560 -4.571 354 H ASP 47 HN ASP 47 6.988 9.464 -6.314 355 HA ASP 47 HA ASP 47 8.854 7.980 -4.607 356 1HB ASP 47 HB2 ASP 47 9.085 8.383 -7.078 357 2HB ASP 47 HB1 ASP 47 9.338 10.094 -6.729 358 H ALA 48 HN ALA 48 7.432 11.156 -4.588 359 HA ALA 48 HA ALA 48 9.432 12.748 -3.380 360 1HB ALA 48 HB1 ALA 48 6.476 12.653 -3.557 361 2HB ALA 48 HB2 ALA 48 7.577 13.990 -3.888 362 3HB ALA 48 HB3 ALA 48 7.115 13.619 -2.227 363 H THR 49 HN THR 49 7.475 10.178 -1.997 364 HA THR 49 HA THR 49 9.057 10.327 0.503 365 HB THR 49 HB THR 49 7.154 11.846 0.846 366 HG1 THR 49 HG1 THR 49 7.138 11.047 2.766 367 1HG2 THR 49 HG21 THR 49 5.541 11.055 -0.725 368 2HG2 THR 49 HG22 THR 49 4.833 10.778 0.867 369 3HG2 THR 49 HG23 THR 49 5.552 9.437 -0.025 370 H LYS 50 HN LYS 50 8.648 8.427 -1.786 371 HA LYS 50 HA LYS 50 8.136 6.159 -2.227 372 1HB LYS 50 HB2 LYS 50 9.355 4.748 -0.640 373 2HB LYS 50 HB1 LYS 50 10.248 6.234 -0.948 374 1HG LYS 50 HG2 LYS 50 9.645 7.160 1.154 375 2HG LYS 50 HG1 LYS 50 8.370 5.966 1.403 376 1HD LYS 50 HD2 LYS 50 10.273 5.353 2.781 377 2HD LYS 50 HD1 LYS 50 10.134 4.183 1.468 378 1HE LYS 50 HE2 LYS 50 11.799 5.713 0.190 379 2HE LYS 50 HE1 LYS 50 12.145 6.414 1.784 380 1HZ LYS 50 HZ1 LYS 50 12.140 3.498 1.225 381 2HZ LYS 50 HZ2 LYS 50 12.643 4.268 2.653 382 3HZ LYS 50 HZ3 LYS 50 13.544 4.448 1.224 383 H THR 51 HN THR 51 5.846 7.572 -0.976 384 HA THR 51 HA THR 51 4.654 5.539 0.827 385 HB THR 51 HB THR 51 3.668 8.203 -0.256 386 HG1 THR 51 HG1 THR 51 4.836 7.443 2.212 387 1HG2 THR 51 HG21 THR 51 2.111 8.016 1.751 388 2HG2 THR 51 HG22 THR 51 2.584 6.319 1.847 389 3HG2 THR 51 HG23 THR 51 1.759 6.925 0.411 390 H TRP 52 HN TRP 52 2.343 4.863 0.273 391 HA TRP 52 HA TRP 52 1.942 4.558 -2.685 392 1HB TRP 52 HB2 TRP 52 2.013 2.555 -0.442 393 2HB TRP 52 HB1 TRP 52 1.053 2.237 -1.880 394 HD1 TRP 52 HD1 TRP 52 4.607 2.376 -0.637 395 HE1 TRP 52 HE1 TRP 52 6.191 1.603 -2.524 396 HE3 TRP 52 HE3 TRP 52 1.310 2.195 -4.487 397 HZ2 TRP 52 HZ2 TRP 52 6.055 0.982 -5.326 398 HZ3 TRP 52 HZ3 TRP 52 2.039 1.510 -6.764 399 HH2 TRP 52 HH2 TRP 52 4.408 0.902 -7.184 400 H THR 53 HN THR 53 -0.409 3.274 -2.759 401 HA THR 53 HA THR 53 -2.327 4.401 -0.828 402 HB THR 53 HB THR 53 -2.650 5.078 -3.749 403 HG1 THR 53 HG1 THR 53 -1.002 6.343 -3.540 404 1HG2 THR 53 HG21 THR 53 -3.784 7.093 -2.467 405 2HG2 THR 53 HG22 THR 53 -3.824 5.939 -1.134 406 3HG2 THR 53 HG23 THR 53 -4.635 5.559 -2.653 407 H VAL 54 HN VAL 54 -4.649 3.782 -1.637 408 HA VAL 54 HA VAL 54 -5.021 1.622 -3.507 409 HB VAL 54 HB VAL 54 -3.700 0.307 -1.977 410 1HG1 VAL 54 HG11 VAL 54 -4.725 0.203 0.490 411 2HG1 VAL 54 HG12 VAL 54 -5.207 1.846 0.070 412 3HG1 VAL 54 HG13 VAL 54 -3.506 1.389 0.027 413 1HG2 VAL 54 HG21 VAL 54 -6.173 -0.489 -2.644 414 2HG2 VAL 54 HG22 VAL 54 -6.381 -0.438 -0.893 415 3HG2 VAL 54 HG23 VAL 54 -5.131 -1.463 -1.601 416 H THR 55 HN THR 55 -6.816 3.071 -3.932 417 HA THR 55 HA THR 55 -8.888 3.370 -1.825 418 HB THR 55 HB THR 55 -8.868 4.391 -4.676 419 HG1 THR 55 HG1 THR 55 -7.728 5.540 -2.347 420 1HG2 THR 55 HG21 THR 55 -10.040 5.608 -2.167 421 2HG2 THR 55 HG22 THR 55 -10.952 4.532 -3.226 422 3HG2 THR 55 HG23 THR 55 -10.354 6.074 -3.839 423 H GLU 56 HN GLU 56 -10.991 2.488 -2.060 424 HA GLU 56 HA GLU 56 -11.204 0.102 -3.771 425 1HB GLU 56 HB2 GLU 56 -11.996 0.589 -1.300 426 2HB GLU 56 HB1 GLU 56 -13.417 1.263 -2.099 427 1HG GLU 56 HG2 GLU 56 -12.377 -1.469 -2.837 428 2HG GLU 56 HG1 GLU 56 -13.464 -1.252 -1.464 Start of MODEL 20 1 1H THR 1 HT1 THR 1 15.431 2.905 2.911 2 2H THR 1 HT2 THR 1 14.937 3.720 4.317 3 3H THR 1 HT3 THR 1 15.864 4.528 3.146 4 HA THR 1 HA THR 1 13.605 5.254 2.904 5 HB THR 1 HB THR 1 13.296 4.225 0.541 6 HG1 THR 1 HG1 THR 1 14.344 2.290 0.895 7 1HG2 THR 1 HG21 THR 1 15.763 5.177 -0.009 8 2HG2 THR 1 HG22 THR 1 15.565 5.801 1.628 9 3HG2 THR 1 HG23 THR 1 14.397 6.223 0.376 10 H THR 2 HN THR 2 12.015 4.469 4.345 11 HA THR 2 HA THR 2 11.016 1.692 4.051 12 HB THR 2 HB THR 2 10.084 3.923 5.879 13 HG1 THR 2 HG1 THR 2 11.703 3.414 7.206 14 1HG2 THR 2 HG21 THR 2 10.168 1.017 6.582 15 2HG2 THR 2 HG22 THR 2 8.891 1.582 5.504 16 3HG2 THR 2 HG23 THR 2 9.048 2.269 7.121 17 H PHE 3 HN PHE 3 9.381 1.292 2.631 18 HA PHE 3 HA PHE 3 7.889 3.396 1.300 19 1HB PHE 3 HB2 PHE 3 7.437 0.393 1.471 20 2HB PHE 3 HB1 PHE 3 6.754 1.466 0.251 21 HD1 PHE 3 HD1 PHE 3 8.863 3.196 -0.594 22 HD2 PHE 3 HD2 PHE 3 9.115 -0.944 0.541 23 HE1 PHE 3 HE1 PHE 3 10.921 2.945 -1.955 24 HE2 PHE 3 HE2 PHE 3 11.171 -1.190 -0.821 25 HZ PHE 3 HZ PHE 3 12.074 0.754 -2.068 26 H LYS 4 HN LYS 4 5.525 3.684 1.457 27 HA LYS 4 HA LYS 4 4.281 2.686 3.989 28 1HB LYS 4 HB2 LYS 4 5.391 4.948 4.247 29 2HB LYS 4 HB1 LYS 4 4.265 5.565 3.051 30 1HG LYS 4 HG2 LYS 4 2.366 4.845 4.473 31 2HG LYS 4 HG1 LYS 4 3.512 4.297 5.695 32 1HD LYS 4 HD2 LYS 4 3.872 6.397 6.455 33 2HD LYS 4 HD1 LYS 4 4.039 7.046 4.825 34 1HE LYS 4 HE2 LYS 4 1.748 7.497 4.627 35 2HE LYS 4 HE1 LYS 4 1.305 6.282 5.841 36 1HZ LYS 4 HZ1 LYS 4 1.164 8.379 6.907 37 2HZ LYS 4 HZ2 LYS 4 2.668 8.879 6.294 38 3HZ LYS 4 HZ3 LYS 4 2.591 7.657 7.473 39 H LEU 5 HN LEU 5 1.990 2.587 3.897 40 HA LEU 5 HA LEU 5 0.626 3.467 1.404 41 1HB LEU 5 HB2 LEU 5 1.598 0.970 1.507 42 2HB LEU 5 HB1 LEU 5 0.117 0.692 2.415 43 HG LEU 5 HG LEU 5 -0.419 2.298 0.044 44 1HD1 LEU 5 HD11 LEU 5 0.235 0.879 -1.698 45 2HD1 LEU 5 HD12 LEU 5 0.453 -0.506 -0.616 46 3HD1 LEU 5 HD13 LEU 5 1.635 0.808 -0.620 47 1HD2 LEU 5 HD21 LEU 5 -2.249 1.221 1.055 48 2HD2 LEU 5 HD22 LEU 5 -1.371 -0.296 1.248 49 3HD2 LEU 5 HD23 LEU 5 -1.925 0.205 -0.349 50 H ILE 6 HN ILE 6 -1.511 4.056 1.818 51 HA ILE 6 HA ILE 6 -2.452 3.753 4.646 52 HB ILE 6 HB ILE 6 -2.959 5.795 2.465 53 1HG1 ILE 6 HG12 ILE 6 -0.766 5.908 3.619 54 2HG1 ILE 6 HG11 ILE 6 -1.768 7.312 3.982 55 1HG2 ILE 6 HG21 ILE 6 -4.337 7.020 4.056 56 2HG2 ILE 6 HG22 ILE 6 -4.056 5.794 5.292 57 3HG2 ILE 6 HG23 ILE 6 -5.001 5.398 3.856 58 1HD1 ILE 6 HD11 ILE 6 -2.511 6.100 6.087 59 2HD1 ILE 6 HD12 ILE 6 -0.815 6.578 6.064 60 3HD1 ILE 6 HD13 ILE 6 -1.263 4.903 5.745 61 H ILE 7 HN ILE 7 -4.130 2.366 4.913 62 HA ILE 7 HA ILE 7 -5.552 1.196 2.653 63 HB ILE 7 HB ILE 7 -5.982 1.045 5.658 64 1HG1 ILE 7 HG12 ILE 7 -4.567 -0.945 3.869 65 2HG1 ILE 7 HG11 ILE 7 -3.704 0.348 4.703 66 1HG2 ILE 7 HG21 ILE 7 -7.930 0.102 4.841 67 2HG2 ILE 7 HG22 ILE 7 -6.872 -1.307 4.765 68 3HG2 ILE 7 HG23 ILE 7 -7.188 -0.361 3.310 69 1HD1 ILE 7 HD11 ILE 7 -3.541 -1.364 6.269 70 2HD1 ILE 7 HD12 ILE 7 -5.118 -2.033 5.853 71 3HD1 ILE 7 HD13 ILE 7 -5.012 -0.557 6.811 72 H ASN 8 HN ASN 8 -7.067 2.451 1.613 73 HA ASN 8 HA ASN 8 -8.806 4.264 3.233 74 1HB ASN 8 HB2 ASN 8 -7.885 4.093 0.370 75 2HB ASN 8 HB1 ASN 8 -9.333 5.017 0.768 76 1HD2 ASN 8 HD21 ASN 8 -8.070 6.988 0.117 77 2HD2 ASN 8 HD22 ASN 8 -6.963 7.669 1.223 78 H GLY 9 HN GLY 9 -9.515 1.663 3.604 79 1HA GLY 9 HA2 GLY 9 -11.482 0.803 1.602 80 2HA GLY 9 HA1 GLY 9 -11.133 -0.010 3.133 81 H LYS 10 HN LYS 10 -13.759 0.731 1.973 82 HA LYS 10 HA LYS 10 -14.975 2.979 3.135 83 1HB LYS 10 HB2 LYS 10 -16.053 0.189 2.635 84 2HB LYS 10 HB1 LYS 10 -17.054 1.620 2.886 85 1HG LYS 10 HG2 LYS 10 -15.623 2.635 0.938 86 2HG LYS 10 HG1 LYS 10 -15.266 0.948 0.564 87 1HD LYS 10 HD2 LYS 10 -17.721 0.483 0.520 88 2HD LYS 10 HD1 LYS 10 -18.018 2.206 0.758 89 1HE LYS 10 HE2 LYS 10 -16.291 2.304 -1.350 90 2HE LYS 10 HE1 LYS 10 -17.130 0.775 -1.681 91 1HZ LYS 10 HZ1 LYS 10 -19.233 1.850 -1.449 92 2HZ LYS 10 HZ2 LYS 10 -18.314 2.764 -2.546 93 3HZ LYS 10 HZ3 LYS 10 -18.511 3.299 -0.946 94 H THR 11 HN THR 11 -14.154 -0.126 4.596 95 HA THR 11 HA THR 11 -15.193 0.886 7.226 96 HB THR 11 HB THR 11 -14.964 -1.987 6.284 97 HG1 THR 11 HG1 THR 11 -16.565 -1.379 5.055 98 1HG2 THR 11 HG21 THR 11 -16.823 -0.956 8.398 99 2HG2 THR 11 HG22 THR 11 -15.125 -1.214 8.799 100 3HG2 THR 11 HG23 THR 11 -16.110 -2.560 8.224 101 H LEU 12 HN LEU 12 -12.718 -1.090 5.590 102 HA LEU 12 HA LEU 12 -11.083 -1.264 8.047 103 1HB LEU 12 HB2 LEU 12 -10.721 -2.215 5.187 104 2HB LEU 12 HB1 LEU 12 -9.635 -2.618 6.517 105 HG LEU 12 HG LEU 12 -12.539 -3.122 6.951 106 1HD1 LEU 12 HD11 LEU 12 -11.717 -3.921 4.559 107 2HD1 LEU 12 HD12 LEU 12 -12.707 -4.977 5.566 108 3HD1 LEU 12 HD13 LEU 12 -10.960 -5.211 5.494 109 1HD2 LEU 12 HD21 LEU 12 -11.228 -3.781 8.765 110 2HD2 LEU 12 HD22 LEU 12 -9.884 -4.285 7.740 111 3HD2 LEU 12 HD23 LEU 12 -11.330 -5.288 7.855 112 H LYS 13 HN LYS 13 -9.195 -0.089 8.384 113 HA LYS 13 HA LYS 13 -8.032 1.554 6.216 114 1HB LYS 13 HB2 LYS 13 -9.546 2.592 8.612 115 2HB LYS 13 HB1 LYS 13 -8.302 3.575 7.839 116 1HG LYS 13 HG2 LYS 13 -9.523 3.126 5.634 117 2HG LYS 13 HG1 LYS 13 -10.853 2.512 6.617 118 1HD LYS 13 HD2 LYS 13 -11.108 4.633 7.735 119 2HD LYS 13 HD1 LYS 13 -9.633 5.258 6.995 120 1HE LYS 13 HE2 LYS 13 -10.659 5.658 4.971 121 2HE LYS 13 HE1 LYS 13 -11.750 4.268 5.136 122 1HZ LYS 13 HZ1 LYS 13 -11.903 6.691 6.844 123 2HZ LYS 13 HZ2 LYS 13 -13.017 5.410 6.772 124 3HZ LYS 13 HZ3 LYS 13 -12.851 6.469 5.455 125 H GLY 14 HN GLY 14 -6.236 3.035 7.457 126 1HA GLY 14 HA2 GLY 14 -4.832 2.883 9.603 127 2HA GLY 14 HA1 GLY 14 -4.773 1.154 9.260 128 H GLU 15 HN GLU 15 -2.436 2.714 9.455 129 HA GLU 15 HA GLU 15 -1.528 3.128 6.643 130 1HB GLU 15 HB2 GLU 15 -1.201 4.920 8.305 131 2HB GLU 15 HB1 GLU 15 -0.328 3.803 9.353 132 1HG GLU 15 HG2 GLU 15 1.410 3.523 7.640 133 2HG GLU 15 HG1 GLU 15 0.530 4.597 6.554 134 H THR 16 HN THR 16 0.622 2.209 6.060 135 HA THR 16 HA THR 16 1.703 0.028 7.718 136 HB THR 16 HB THR 16 -0.260 -1.004 6.664 137 HG1 THR 16 HG1 THR 16 0.811 -2.730 5.934 138 1HG2 THR 16 HG21 THR 16 -0.255 -1.225 4.139 139 2HG2 THR 16 HG22 THR 16 1.005 0.009 4.103 140 3HG2 THR 16 HG23 THR 16 -0.593 0.396 4.741 141 H THR 17 HN THR 17 3.824 -0.473 7.116 142 HA THR 17 HA THR 17 4.882 0.766 4.600 143 HB THR 17 HB THR 17 6.889 1.386 6.007 144 HG1 THR 17 HG1 THR 17 6.605 1.318 8.237 145 1HG2 THR 17 HG21 THR 17 5.594 3.219 7.296 146 2HG2 THR 17 HG22 THR 17 4.152 2.522 6.559 147 3HG2 THR 17 HG23 THR 17 5.432 3.181 5.541 148 H THR 18 HN THR 18 6.863 -0.301 3.827 149 HA THR 18 HA THR 18 7.475 -2.921 5.090 150 HB THR 18 HB THR 18 5.997 -2.361 2.614 151 HG1 THR 18 HG1 THR 18 6.682 -4.690 4.082 152 1HG2 THR 18 HG21 THR 18 8.361 -4.249 2.363 153 2HG2 THR 18 HG22 THR 18 8.215 -2.684 1.562 154 3HG2 THR 18 HG23 THR 18 7.094 -3.987 1.163 155 H GLU 19 HN GLU 19 9.586 -3.762 4.350 156 HA GLU 19 HA GLU 19 11.417 -1.595 3.366 157 1HB GLU 19 HB2 GLU 19 11.615 -2.387 5.766 158 2HB GLU 19 HB1 GLU 19 12.042 -3.980 5.137 159 1HG GLU 19 HG2 GLU 19 13.769 -2.474 3.712 160 2HG GLU 19 HG1 GLU 19 13.626 -1.462 5.150 161 H ALA 20 HN ALA 20 12.030 -2.056 1.284 162 HA ALA 20 HA ALA 20 12.880 -4.824 0.610 163 1HB ALA 20 HB1 ALA 20 10.481 -3.351 -0.360 164 2HB ALA 20 HB2 ALA 20 10.722 -5.086 -0.150 165 3HB ALA 20 HB3 ALA 20 11.383 -4.269 -1.567 166 H VAL 21 HN VAL 21 13.564 -4.724 -1.887 167 HA VAL 21 HA VAL 21 15.788 -2.943 -2.125 168 HB VAL 21 HB VAL 21 15.498 -5.132 -3.273 169 1HG1 VAL 21 HG11 VAL 21 13.619 -3.746 -5.174 170 2HG1 VAL 21 HG12 VAL 21 13.036 -4.699 -3.809 171 3HG1 VAL 21 HG13 VAL 21 13.995 -5.466 -5.075 172 1HG2 VAL 21 HG21 VAL 21 17.176 -3.827 -4.274 173 2HG2 VAL 21 HG22 VAL 21 16.013 -2.656 -4.896 174 3HG2 VAL 21 HG23 VAL 21 16.136 -4.253 -5.633 175 H ASP 22 HN ASP 22 12.509 -2.820 -3.410 176 HA ASP 22 HA ASP 22 12.757 0.084 -3.934 177 1HB ASP 22 HB2 ASP 22 12.187 -2.091 -5.968 178 2HB ASP 22 HB1 ASP 22 11.981 -0.364 -6.300 179 H ALA 23 HN ALA 23 10.592 1.028 -4.377 180 HA ALA 23 HA ALA 23 8.523 0.000 -2.689 181 1HB ALA 23 HB1 ALA 23 8.289 2.260 -3.069 182 2HB ALA 23 HB2 ALA 23 7.224 1.697 -4.357 183 3HB ALA 23 HB3 ALA 23 8.891 2.145 -4.722 184 H ALA 24 HN ALA 24 9.175 -0.403 -6.144 185 HA ALA 24 HA ALA 24 6.704 -1.468 -7.032 186 1HB ALA 24 HB1 ALA 24 9.605 -1.869 -7.746 187 2HB ALA 24 HB2 ALA 24 8.354 -1.018 -8.652 188 3HB ALA 24 HB3 ALA 24 8.354 -2.781 -8.591 189 H THR 25 HN THR 25 9.511 -3.191 -5.636 190 HA THR 25 HA THR 25 8.310 -5.806 -5.656 191 HB THR 25 HB THR 25 10.550 -4.493 -4.084 192 HG1 THR 25 HG1 THR 25 11.241 -4.746 -6.079 193 1HG2 THR 25 HG21 THR 25 9.872 -7.448 -4.214 194 2HG2 THR 25 HG22 THR 25 9.631 -6.419 -2.799 195 3HG2 THR 25 HG23 THR 25 11.263 -6.734 -3.397 196 H ALA 26 HN ALA 26 8.645 -3.351 -3.052 197 HA ALA 26 HA ALA 26 7.327 -4.814 -1.005 198 1HB ALA 26 HB1 ALA 26 7.620 -1.860 -1.614 199 2HB ALA 26 HB2 ALA 26 8.562 -2.829 -0.480 200 3HB ALA 26 HB3 ALA 26 6.876 -2.441 -0.119 201 H GLU 27 HN GLU 27 5.932 -2.174 -2.980 202 HA GLU 27 HA GLU 27 3.292 -2.184 -2.273 203 1HB GLU 27 HB2 GLU 27 4.740 -1.056 -4.207 204 2HB GLU 27 HB1 GLU 27 3.917 -2.256 -5.201 205 1HG GLU 27 HG2 GLU 27 2.220 -0.737 -3.293 206 2HG GLU 27 HG1 GLU 27 2.862 0.170 -4.661 207 H LYS 28 HN LYS 28 4.801 -4.701 -4.301 208 HA LYS 28 HA LYS 28 2.363 -6.033 -5.087 209 1HB LYS 28 HB2 LYS 28 5.172 -7.102 -4.587 210 2HB LYS 28 HB1 LYS 28 3.923 -7.920 -5.525 211 1HG LYS 28 HG2 LYS 28 4.061 -6.406 -7.288 212 2HG LYS 28 HG1 LYS 28 4.708 -5.120 -6.267 213 1HD LYS 28 HD2 LYS 28 6.668 -5.736 -7.307 214 2HD LYS 28 HD1 LYS 28 6.697 -6.903 -5.985 215 1HE LYS 28 HE2 LYS 28 6.996 -8.344 -7.791 216 2HE LYS 28 HE1 LYS 28 5.223 -8.327 -7.721 217 1HZ LYS 28 HZ1 LYS 28 5.175 -6.521 -9.288 218 2HZ LYS 28 HZ2 LYS 28 6.081 -7.794 -9.955 219 3HZ LYS 28 HZ3 LYS 28 6.869 -6.432 -9.313 220 H VAL 29 HN VAL 29 4.639 -6.520 -2.389 221 HA VAL 29 HA VAL 29 3.173 -8.633 -1.074 222 HB VAL 29 HB VAL 29 5.268 -6.578 -0.307 223 1HG1 VAL 29 HG11 VAL 29 5.531 -7.683 1.875 224 2HG1 VAL 29 HG12 VAL 29 4.159 -8.735 1.522 225 3HG1 VAL 29 HG13 VAL 29 3.909 -6.998 1.728 226 1HG2 VAL 29 HG21 VAL 29 6.734 -8.496 -0.253 227 2HG2 VAL 29 HG22 VAL 29 5.809 -8.571 -1.752 228 3HG2 VAL 29 HG23 VAL 29 5.370 -9.604 -0.393 229 H LEU 30 HN LEU 30 3.076 -5.078 -0.910 230 HA LEU 30 HA LEU 30 1.337 -4.900 1.362 231 1HB LEU 30 HB2 LEU 30 2.050 -3.134 -0.990 232 2HB LEU 30 HB1 LEU 30 0.877 -2.598 0.203 233 HG LEU 30 HG LEU 30 3.409 -1.941 0.469 234 1HD1 LEU 30 HD11 LEU 30 1.682 -2.985 2.713 235 2HD1 LEU 30 HD12 LEU 30 1.814 -1.323 2.135 236 3HD1 LEU 30 HD13 LEU 30 3.177 -2.078 2.972 237 1HD2 LEU 30 HD21 LEU 30 4.501 -4.043 0.373 238 2HD2 LEU 30 HD22 LEU 30 3.411 -4.763 1.556 239 3HD2 LEU 30 HD23 LEU 30 4.561 -3.540 2.049 240 H LYS 31 HN LYS 31 0.807 -5.346 -2.092 241 HA LYS 31 HA LYS 31 -2.051 -4.955 -2.179 242 1HB LYS 31 HB2 LYS 31 -0.135 -5.392 -4.012 243 2HB LYS 31 HB1 LYS 31 -0.616 -7.056 -3.779 244 1HG LYS 31 HG2 LYS 31 -2.652 -4.892 -4.319 245 2HG LYS 31 HG1 LYS 31 -1.840 -5.747 -5.630 246 1HD LYS 31 HD2 LYS 31 -3.493 -7.026 -3.428 247 2HD LYS 31 HD1 LYS 31 -3.984 -6.833 -5.110 248 1HE LYS 31 HE2 LYS 31 -1.457 -8.098 -5.210 249 2HE LYS 31 HE1 LYS 31 -2.367 -8.933 -3.930 250 1HZ LYS 31 HZ1 LYS 31 -4.287 -8.996 -5.477 251 2HZ LYS 31 HZ2 LYS 31 -2.962 -9.905 -6.027 252 3HZ LYS 31 HZ3 LYS 31 -3.291 -8.382 -6.705 253 H GLN 32 HN GLN 32 0.023 -7.784 -1.644 254 HA GLN 32 HA GLN 32 -1.937 -9.806 -1.335 255 1HB GLN 32 HB2 GLN 32 0.843 -9.265 -0.411 256 2HB GLN 32 HB1 GLN 32 -0.031 -10.586 0.366 257 1HG GLN 32 HG2 GLN 32 -0.641 -11.222 -2.130 258 2HG GLN 32 HG1 GLN 32 0.824 -10.306 -2.487 259 1HE2 GLN 32 HE21 GLN 32 2.118 -12.168 -3.045 260 2HE2 GLN 32 HE22 GLN 32 2.574 -13.335 -1.886 261 H TYR 33 HN TYR 33 -0.627 -7.481 1.017 262 HA TYR 33 HA TYR 33 -2.039 -8.431 3.348 263 1HB TYR 33 HB2 TYR 33 -0.116 -6.907 3.419 264 2HB TYR 33 HB1 TYR 33 -1.013 -5.691 2.509 265 HD1 TYR 33 HD1 TYR 33 -0.927 -7.597 5.683 266 HD2 TYR 33 HD2 TYR 33 -2.526 -4.208 3.594 267 HE1 TYR 33 HE1 TYR 33 -1.882 -6.754 7.797 268 HE2 TYR 33 HE2 TYR 33 -3.479 -3.353 5.715 269 HH TYR 33 HH TYR 33 -3.642 -5.266 8.562 270 H ILE 34 HN ILE 34 -2.806 -6.097 0.794 271 HA ILE 34 HA ILE 34 -5.335 -5.189 1.857 272 HB ILE 34 HB ILE 34 -4.196 -5.327 -0.952 273 1HG1 ILE 34 HG12 ILE 34 -2.916 -4.097 0.936 274 2HG1 ILE 34 HG11 ILE 34 -3.207 -3.220 -0.560 275 1HG2 ILE 34 HG21 ILE 34 -5.767 -3.392 -1.376 276 2HG2 ILE 34 HG22 ILE 34 -6.534 -3.767 0.167 277 3HG2 ILE 34 HG23 ILE 34 -6.559 -4.950 -1.140 278 1HD1 ILE 34 HD11 ILE 34 -5.208 -3.009 1.668 279 2HD1 ILE 34 HD12 ILE 34 -4.796 -1.830 0.422 280 3HD1 ILE 34 HD13 ILE 34 -3.703 -2.094 1.782 281 H ASN 35 HN ASN 35 -4.323 -7.944 -0.085 282 HA ASN 35 HA ASN 35 -6.810 -8.768 -1.191 283 1HB ASN 35 HB2 ASN 35 -4.462 -9.615 -1.649 284 2HB ASN 35 HB1 ASN 35 -4.571 -10.526 -0.143 285 1HD2 ASN 35 HD21 ASN 35 -5.862 -12.445 -0.126 286 2HD2 ASN 35 HD22 ASN 35 -6.641 -13.046 -1.510 287 H ASP 36 HN ASP 36 -5.497 -9.101 2.059 288 HA ASP 36 HA ASP 36 -7.473 -11.068 2.951 289 1HB ASP 36 HB2 ASP 36 -5.009 -10.265 3.765 290 2HB ASP 36 HB1 ASP 36 -6.016 -9.336 4.878 291 H ASN 37 HN ASN 37 -6.915 -7.593 3.635 292 HA ASN 37 HA ASN 37 -9.279 -7.167 5.185 293 1HB ASN 37 HB2 ASN 37 -7.681 -5.301 3.396 294 2HB ASN 37 HB1 ASN 37 -8.813 -4.780 4.649 295 1HD2 ASN 37 HD21 ASN 37 -7.799 -4.290 6.589 296 2HD2 ASN 37 HD22 ASN 37 -6.356 -5.006 7.152 297 H GLY 38 HN GLY 38 -8.694 -7.081 1.693 298 1HA GLY 38 HA2 GLY 38 -10.336 -7.416 -0.006 299 2HA GLY 38 HA1 GLY 38 -11.599 -7.218 1.210 300 H ILE 39 HN ILE 39 -8.917 -4.972 0.724 301 HA ILE 39 HA ILE 39 -10.909 -2.914 -0.179 302 HB ILE 39 HB ILE 39 -8.387 -2.642 1.494 303 1HG1 ILE 39 HG12 ILE 39 -10.216 -3.761 2.712 304 2HG1 ILE 39 HG11 ILE 39 -9.956 -2.133 3.343 305 1HG2 ILE 39 HG21 ILE 39 -10.474 -0.623 0.625 306 2HG2 ILE 39 HG22 ILE 39 -8.756 -0.615 0.228 307 3HG2 ILE 39 HG23 ILE 39 -9.279 -0.318 1.886 308 1HD1 ILE 39 HD11 ILE 39 -11.812 -1.695 1.347 309 2HD1 ILE 39 HD12 ILE 39 -12.193 -1.869 3.060 310 3HD1 ILE 39 HD13 ILE 39 -12.310 -3.262 1.985 311 H ASP 40 HN ASP 40 -10.245 -3.796 -2.399 312 HA ASP 40 HA ASP 40 -7.654 -2.568 -3.290 313 1HB ASP 40 HB2 ASP 40 -7.666 -4.377 -5.008 314 2HB ASP 40 HB1 ASP 40 -7.673 -5.026 -3.366 315 H GLY 41 HN GLY 41 -8.095 -0.736 -4.449 316 1HA GLY 41 HA2 GLY 41 -10.201 -0.852 -6.535 317 2HA GLY 41 HA1 GLY 41 -10.318 0.439 -5.335 318 H GLU 42 HN GLU 42 -8.603 2.037 -5.265 319 HA GLU 42 HA GLU 42 -6.885 2.113 -7.724 320 1HB GLU 42 HB2 GLU 42 -9.038 3.869 -6.767 321 2HB GLU 42 HB1 GLU 42 -7.552 4.747 -7.124 322 1HG GLU 42 HG2 GLU 42 -7.652 4.291 -9.366 323 2HG GLU 42 HG1 GLU 42 -8.381 2.704 -9.117 324 H TRP 43 HN TRP 43 -4.775 2.216 -7.088 325 HA TRP 43 HA TRP 43 -4.096 3.302 -4.396 326 1HB TRP 43 HB2 TRP 43 -2.591 1.723 -6.507 327 2HB TRP 43 HB1 TRP 43 -1.848 2.300 -5.027 328 HD1 TRP 43 HD1 TRP 43 -5.427 0.888 -4.999 329 HE1 TRP 43 HE1 TRP 43 -5.407 -1.321 -3.698 330 HE3 TRP 43 HE3 TRP 43 -0.423 0.374 -4.253 331 HZ2 TRP 43 HZ2 TRP 43 -3.522 -3.061 -2.455 332 HZ3 TRP 43 HZ3 TRP 43 0.462 -1.566 -2.977 333 HH2 TRP 43 HH2 TRP 43 -1.075 -3.274 -2.080 334 H THR 44 HN THR 44 -2.155 4.751 -4.297 335 HA THR 44 HA THR 44 -1.469 6.217 -6.779 336 HB THR 44 HB THR 44 -2.088 8.376 -5.757 337 HG1 THR 44 HG1 THR 44 -3.387 8.236 -3.820 338 1HG2 THR 44 HG21 THR 44 -3.744 6.949 -7.095 339 2HG2 THR 44 HG22 THR 44 -4.438 8.208 -6.075 340 3HG2 THR 44 HG23 THR 44 -4.467 6.527 -5.543 341 H TYR 45 HN TYR 45 0.675 6.728 -6.704 342 HA TYR 45 HA TYR 45 2.204 6.152 -4.251 343 1HB TYR 45 HB2 TYR 45 2.925 5.387 -6.482 344 2HB TYR 45 HB1 TYR 45 2.978 7.055 -7.051 345 HD1 TYR 45 HD1 TYR 45 5.100 7.986 -7.166 346 HD2 TYR 45 HD2 TYR 45 4.241 5.131 -4.076 347 HE1 TYR 45 HE1 TYR 45 7.419 8.208 -6.318 348 HE2 TYR 45 HE2 TYR 45 6.560 5.350 -3.227 349 HH TYR 45 HH TYR 45 8.988 6.316 -4.747 350 H ASP 46 HN ASP 46 3.865 7.800 -3.513 351 HA ASP 46 HA ASP 46 3.092 10.635 -4.075 352 1HB ASP 46 HB2 ASP 46 3.519 9.429 -1.316 353 2HB ASP 46 HB1 ASP 46 3.054 11.090 -1.671 354 H ASP 47 HN ASP 47 4.908 11.801 -4.519 355 HA ASP 47 HA ASP 47 7.567 10.669 -4.280 356 1HB ASP 47 HB2 ASP 47 6.799 12.249 -6.038 357 2HB ASP 47 HB1 ASP 47 6.626 13.506 -4.812 358 H ALA 48 HN ALA 48 5.556 12.201 -1.981 359 HA ALA 48 HA ALA 48 7.284 13.856 -0.478 360 1HB ALA 48 HB1 ALA 48 4.905 12.104 0.048 361 2HB ALA 48 HB2 ALA 48 5.048 13.859 0.176 362 3HB ALA 48 HB3 ALA 48 5.737 12.825 1.428 363 H THR 49 HN THR 49 6.433 10.544 0.535 364 HA THR 49 HA THR 49 9.296 10.055 1.271 365 HB THR 49 HB THR 49 7.999 10.838 3.230 366 HG1 THR 49 HG1 THR 49 9.555 9.195 3.527 367 1HG2 THR 49 HG21 THR 49 6.111 9.379 4.040 368 2HG2 THR 49 HG22 THR 49 6.185 8.525 2.497 369 3HG2 THR 49 HG23 THR 49 5.758 10.236 2.538 370 H LYS 50 HN LYS 50 7.816 9.099 -1.031 371 HA LYS 50 HA LYS 50 7.347 7.102 -2.176 372 1HB LYS 50 HB2 LYS 50 8.975 5.974 0.126 373 2HB LYS 50 HB1 LYS 50 8.668 5.160 -1.406 374 1HG LYS 50 HG2 LYS 50 9.668 7.680 -2.139 375 2HG LYS 50 HG1 LYS 50 10.658 7.192 -0.764 376 1HD LYS 50 HD2 LYS 50 10.454 4.859 -2.277 377 2HD LYS 50 HD1 LYS 50 10.608 6.127 -3.492 378 1HE LYS 50 HE2 LYS 50 12.471 5.819 -1.109 379 2HE LYS 50 HE1 LYS 50 12.835 5.255 -2.753 380 1HZ LYS 50 HZ1 LYS 50 12.160 8.041 -1.964 381 2HZ LYS 50 HZ2 LYS 50 12.404 7.512 -3.560 382 3HZ LYS 50 HZ3 LYS 50 13.688 7.485 -2.447 383 H THR 51 HN THR 51 5.279 7.983 -0.538 384 HA THR 51 HA THR 51 4.308 5.738 1.116 385 HB THR 51 HB THR 51 2.607 8.071 0.312 386 HG1 THR 51 HG1 THR 51 3.981 9.481 0.986 387 1HG2 THR 51 HG21 THR 51 2.498 6.099 2.266 388 2HG2 THR 51 HG22 THR 51 1.551 7.588 2.247 389 3HG2 THR 51 HG23 THR 51 3.067 7.519 3.144 390 H TRP 52 HN TRP 52 1.644 5.611 0.556 391 HA TRP 52 HA TRP 52 1.204 5.241 -2.343 392 1HB TRP 52 HB2 TRP 52 1.528 3.040 -0.309 393 2HB TRP 52 HB1 TRP 52 0.543 2.805 -1.747 394 HD1 TRP 52 HD1 TRP 52 4.118 3.023 -0.591 395 HE1 TRP 52 HE1 TRP 52 5.684 2.565 -2.592 396 HE3 TRP 52 HE3 TRP 52 0.718 3.082 -4.350 397 HZ2 TRP 52 HZ2 TRP 52 5.495 2.258 -5.441 398 HZ3 TRP 52 HZ3 TRP 52 1.411 2.703 -6.708 399 HH2 TRP 52 HH2 TRP 52 3.797 2.289 -7.255 400 H THR 53 HN THR 53 -1.068 3.809 -2.364 401 HA THR 53 HA THR 53 -2.900 4.573 -0.196 402 HB THR 53 HB THR 53 -3.332 5.671 -2.986 403 HG1 THR 53 HG1 THR 53 -1.737 6.931 -2.393 404 1HG2 THR 53 HG21 THR 53 -5.400 5.685 -1.928 405 2HG2 THR 53 HG22 THR 53 -4.770 7.263 -1.457 406 3HG2 THR 53 HG23 THR 53 -4.693 5.910 -0.328 407 H VAL 54 HN VAL 54 -5.202 3.838 -0.819 408 HA VAL 54 HA VAL 54 -5.574 1.959 -2.997 409 HB VAL 54 HB VAL 54 -4.075 0.568 -1.717 410 1HG1 VAL 54 HG11 VAL 54 -4.195 1.838 0.385 411 2HG1 VAL 54 HG12 VAL 54 -4.400 0.111 0.668 412 3HG1 VAL 54 HG13 VAL 54 -5.800 1.181 0.689 413 1HG2 VAL 54 HG21 VAL 54 -6.641 -0.510 -0.633 414 2HG2 VAL 54 HG22 VAL 54 -5.353 -1.343 -1.508 415 3HG2 VAL 54 HG23 VAL 54 -6.507 -0.330 -2.383 416 H THR 55 HN THR 55 -7.410 3.523 -3.000 417 HA THR 55 HA THR 55 -9.386 3.381 -0.828 418 HB THR 55 HB THR 55 -9.723 4.564 -3.590 419 HG1 THR 55 HG1 THR 55 -8.329 5.629 -1.361 420 1HG2 THR 55 HG21 THR 55 -11.684 4.655 -2.176 421 2HG2 THR 55 HG22 THR 55 -10.986 6.273 -2.246 422 3HG2 THR 55 HG23 THR 55 -10.732 5.264 -0.822 423 H GLU 56 HN GLU 56 -11.139 2.011 -0.796 424 HA GLU 56 HA GLU 56 -11.373 -0.187 -2.641 425 1HB GLU 56 HB2 GLU 56 -12.141 0.156 -0.165 426 2HB GLU 56 HB1 GLU 56 -13.599 0.840 -0.885 427 1HG GLU 56 HG2 GLU 56 -12.504 -1.871 -1.665 428 2HG GLU 56 HG1 GLU 56 -13.700 -1.654 -0.387 Start of MODEL 21 1 1H THR 1 HT1 THR 1 13.825 7.544 5.874 2 2H THR 1 HT2 THR 1 14.058 6.541 4.522 3 3H THR 1 HT3 THR 1 14.260 5.919 6.090 4 HA THR 1 HA THR 1 11.948 6.044 6.554 5 HB THR 1 HB THR 1 11.675 8.262 5.542 6 HG1 THR 1 HG1 THR 1 9.703 7.543 5.610 7 1HG2 THR 1 HG21 THR 1 11.188 7.810 2.846 8 2HG2 THR 1 HG22 THR 1 12.627 6.844 3.165 9 3HG2 THR 1 HG23 THR 1 12.629 8.571 3.518 10 H THR 2 HN THR 2 10.567 4.335 5.908 11 HA THR 2 HA THR 2 11.669 2.564 3.782 12 HB THR 2 HB THR 2 11.374 1.722 6.082 13 HG1 THR 2 HG1 THR 2 11.103 0.140 4.634 14 1HG2 THR 2 HG21 THR 2 9.632 2.558 7.247 15 2HG2 THR 2 HG22 THR 2 8.638 1.381 6.389 16 3HG2 THR 2 HG23 THR 2 8.775 3.030 5.780 17 H PHE 3 HN PHE 3 9.415 1.090 3.158 18 HA PHE 3 HA PHE 3 8.033 2.851 1.284 19 1HB PHE 3 HB2 PHE 3 7.543 -0.048 2.055 20 2HB PHE 3 HB1 PHE 3 6.990 0.741 0.580 21 HD1 PHE 3 HD1 PHE 3 9.228 2.252 -0.395 22 HD2 PHE 3 HD2 PHE 3 9.235 -1.578 1.551 23 HE1 PHE 3 HE1 PHE 3 11.380 1.698 -1.495 24 HE2 PHE 3 HE2 PHE 3 11.387 -2.131 0.451 25 HZ PHE 3 HZ PHE 3 12.459 -0.494 -1.071 26 H LYS 4 HN LYS 4 5.771 3.355 1.311 27 HA LYS 4 HA LYS 4 4.263 2.706 3.811 28 1HB LYS 4 HB2 LYS 4 5.496 4.921 3.933 29 2HB LYS 4 HB1 LYS 4 4.497 5.471 2.596 30 1HG LYS 4 HG2 LYS 4 2.465 5.063 3.905 31 2HG LYS 4 HG1 LYS 4 3.436 4.465 5.249 32 1HD LYS 4 HD2 LYS 4 4.199 6.566 5.818 33 2HD LYS 4 HD1 LYS 4 4.086 7.169 4.165 34 1HE LYS 4 HE2 LYS 4 2.201 8.227 4.937 35 2HE LYS 4 HE1 LYS 4 1.442 6.634 4.739 36 1HZ LYS 4 HZ1 LYS 4 2.824 7.618 7.182 37 2HZ LYS 4 HZ2 LYS 4 2.162 6.065 6.987 38 3HZ LYS 4 HZ3 LYS 4 1.148 7.428 7.000 39 H LEU 5 HN LEU 5 1.966 2.814 3.534 40 HA LEU 5 HA LEU 5 0.901 3.444 0.832 41 1HB LEU 5 HB2 LEU 5 1.661 0.928 1.303 42 2HB LEU 5 HB1 LEU 5 0.106 0.857 2.123 43 HG LEU 5 HG LEU 5 -0.137 2.194 -0.458 44 1HD1 LEU 5 HD11 LEU 5 1.819 0.479 -0.775 45 2HD1 LEU 5 HD12 LEU 5 0.504 0.516 -1.956 46 3HD1 LEU 5 HD13 LEU 5 0.532 -0.731 -0.697 47 1HD2 LEU 5 HD21 LEU 5 -1.911 0.461 -0.735 48 2HD2 LEU 5 HD22 LEU 5 -2.034 1.315 0.804 49 3HD2 LEU 5 HD23 LEU 5 -1.352 -0.311 0.749 50 H ILE 6 HN ILE 6 -1.174 4.270 0.969 51 HA ILE 6 HA ILE 6 -2.414 4.368 3.693 52 HB ILE 6 HB ILE 6 -2.595 6.149 1.245 53 1HG1 ILE 6 HG12 ILE 6 -0.450 6.252 2.479 54 2HG1 ILE 6 HG11 ILE 6 -1.356 7.755 2.641 55 1HG2 ILE 6 HG21 ILE 6 -4.670 6.523 2.221 56 2HG2 ILE 6 HG22 ILE 6 -3.682 7.687 3.105 57 3HG2 ILE 6 HG23 ILE 6 -4.092 6.138 3.843 58 1HD1 ILE 6 HD11 ILE 6 -0.508 5.885 4.703 59 2HD1 ILE 6 HD12 ILE 6 -2.248 6.162 4.770 60 3HD1 ILE 6 HD13 ILE 6 -1.134 7.524 4.876 61 H ILE 7 HN ILE 7 -4.439 3.484 3.952 62 HA ILE 7 HA ILE 7 -5.647 2.009 1.708 63 HB ILE 7 HB ILE 7 -6.402 2.358 4.630 64 1HG1 ILE 7 HG12 ILE 7 -5.023 0.027 3.268 65 2HG1 ILE 7 HG11 ILE 7 -4.152 1.304 4.118 66 1HG2 ILE 7 HG21 ILE 7 -7.732 0.290 4.269 67 2HG2 ILE 7 HG22 ILE 7 -7.332 0.350 2.552 68 3HG2 ILE 7 HG23 ILE 7 -8.315 1.625 3.274 69 1HD1 ILE 7 HD11 ILE 7 -4.402 -0.187 5.861 70 2HD1 ILE 7 HD12 ILE 7 -5.902 -0.853 5.215 71 3HD1 ILE 7 HD13 ILE 7 -5.911 0.707 6.039 72 H ASN 8 HN ASN 8 -7.239 2.871 0.448 73 HA ASN 8 HA ASN 8 -8.823 5.183 1.524 74 1HB ASN 8 HB2 ASN 8 -7.603 4.559 -1.165 75 2HB ASN 8 HB1 ASN 8 -8.937 5.704 -1.028 76 1HD2 ASN 8 HD21 ASN 8 -7.458 7.482 -1.649 77 2HD2 ASN 8 HD22 ASN 8 -6.334 8.097 -0.523 78 H GLY 9 HN GLY 9 -9.852 2.743 2.106 79 1HA GLY 9 HA2 GLY 9 -11.603 1.792 -0.054 80 2HA GLY 9 HA1 GLY 9 -11.539 1.149 1.591 81 H LYS 10 HN LYS 10 -13.961 1.781 0.178 82 HA LYS 10 HA LYS 10 -15.114 4.287 0.749 83 1HB LYS 10 HB2 LYS 10 -16.324 1.507 0.682 84 2HB LYS 10 HB1 LYS 10 -17.252 3.003 0.577 85 1HG LYS 10 HG2 LYS 10 -15.807 3.625 -1.422 86 2HG LYS 10 HG1 LYS 10 -15.189 1.974 -1.384 87 1HD LYS 10 HD2 LYS 10 -16.950 1.537 -2.763 88 2HD LYS 10 HD1 LYS 10 -17.877 1.509 -1.263 89 1HE LYS 10 HE2 LYS 10 -17.479 4.223 -2.362 90 2HE LYS 10 HE1 LYS 10 -18.454 3.153 -3.388 91 1HZ LYS 10 HZ1 LYS 10 -19.832 4.220 -1.708 92 2HZ LYS 10 HZ2 LYS 10 -18.848 3.591 -0.474 93 3HZ LYS 10 HZ3 LYS 10 -19.766 2.545 -1.449 94 H THR 11 HN THR 11 -14.764 1.425 2.816 95 HA THR 11 HA THR 11 -15.693 3.076 5.142 96 HB THR 11 HB THR 11 -16.160 0.109 4.794 97 HG1 THR 11 HG1 THR 11 -18.073 0.582 3.853 98 1HG2 THR 11 HG21 THR 11 -16.424 0.911 7.058 99 2HG2 THR 11 HG22 THR 11 -18.034 0.642 6.389 100 3HG2 THR 11 HG23 THR 11 -17.391 2.280 6.509 101 H LEU 12 HN LEU 12 -12.963 1.994 3.925 102 HA LEU 12 HA LEU 12 -11.849 1.182 6.570 103 1HB LEU 12 HB2 LEU 12 -11.707 -0.268 3.924 104 2HB LEU 12 HB1 LEU 12 -10.510 -0.541 5.190 105 HG LEU 12 HG LEU 12 -13.488 -0.777 5.666 106 1HD1 LEU 12 HD11 LEU 12 -11.609 -3.108 5.329 107 2HD1 LEU 12 HD12 LEU 12 -12.430 -2.405 3.935 108 3HD1 LEU 12 HD13 LEU 12 -13.371 -3.093 5.259 109 1HD2 LEU 12 HD21 LEU 12 -10.985 -1.508 7.199 110 2HD2 LEU 12 HD22 LEU 12 -12.557 -2.207 7.588 111 3HD2 LEU 12 HD23 LEU 12 -12.311 -0.465 7.715 112 H LYS 13 HN LYS 13 -9.998 2.343 6.973 113 HA LYS 13 HA LYS 13 -8.314 3.259 4.694 114 1HB LYS 13 HB2 LYS 13 -9.742 4.971 6.740 115 2HB LYS 13 HB1 LYS 13 -8.368 5.570 5.810 116 1HG LYS 13 HG2 LYS 13 -9.583 4.977 3.710 117 2HG LYS 13 HG1 LYS 13 -10.979 4.518 4.685 118 1HD LYS 13 HD2 LYS 13 -9.750 7.237 5.039 119 2HD LYS 13 HD1 LYS 13 -10.852 6.944 3.693 120 1HE LYS 13 HE2 LYS 13 -12.317 5.831 5.662 121 2HE LYS 13 HE1 LYS 13 -11.428 7.035 6.617 122 1HZ LYS 13 HZ1 LYS 13 -12.043 8.730 5.029 123 2HZ LYS 13 HZ2 LYS 13 -13.445 7.978 5.623 124 3HZ LYS 13 HZ3 LYS 13 -12.862 7.593 4.074 125 H GLY 14 HN GLY 14 -6.432 4.690 5.889 126 1HA GLY 14 HA2 GLY 14 -5.275 4.678 8.199 127 2HA GLY 14 HA1 GLY 14 -5.394 2.924 8.059 128 H GLU 15 HN GLU 15 -2.883 3.896 8.342 129 HA GLU 15 HA GLU 15 -1.730 3.895 5.570 130 1HB GLU 15 HB2 GLU 15 0.163 5.106 6.650 131 2HB GLU 15 HB1 GLU 15 -1.366 5.958 6.857 132 1HG GLU 15 HG2 GLU 15 -1.583 5.208 9.122 133 2HG GLU 15 HG1 GLU 15 -0.274 4.041 8.930 134 H THR 16 HN THR 16 0.496 2.845 5.486 135 HA THR 16 HA THR 16 1.187 0.902 7.572 136 HB THR 16 HB THR 16 -0.742 -0.172 6.490 137 HG1 THR 16 HG1 THR 16 0.837 -1.586 7.094 138 1HG2 THR 16 HG21 THR 16 -0.454 -0.854 4.046 139 2HG2 THR 16 HG22 THR 16 0.855 0.326 3.965 140 3HG2 THR 16 HG23 THR 16 -0.788 0.853 4.332 141 H THR 17 HN THR 17 3.294 0.070 7.252 142 HA THR 17 HA THR 17 4.690 0.851 4.717 143 HB THR 17 HB THR 17 6.622 1.481 6.213 144 HG1 THR 17 HG1 THR 17 6.434 1.090 8.251 145 1HG2 THR 17 HG21 THR 17 5.448 3.584 7.115 146 2HG2 THR 17 HG22 THR 17 3.976 2.919 6.407 147 3HG2 THR 17 HG23 THR 17 5.355 3.301 5.377 148 H THR 18 HN THR 18 6.591 -0.488 4.273 149 HA THR 18 HA THR 18 6.861 -2.943 5.921 150 HB THR 18 HB THR 18 5.601 -2.613 3.284 151 HG1 THR 18 HG1 THR 18 5.934 -4.778 5.089 152 1HG2 THR 18 HG21 THR 18 6.601 -4.547 2.178 153 2HG2 THR 18 HG22 THR 18 7.755 -4.742 3.499 154 3HG2 THR 18 HG23 THR 18 7.828 -3.312 2.467 155 H GLU 19 HN GLU 19 8.953 -3.979 5.594 156 HA GLU 19 HA GLU 19 11.017 -2.141 4.435 157 1HB GLU 19 HB2 GLU 19 10.767 -3.088 6.959 158 2HB GLU 19 HB1 GLU 19 11.724 -4.391 6.253 159 1HG GLU 19 HG2 GLU 19 13.082 -2.294 5.257 160 2HG GLU 19 HG1 GLU 19 12.460 -1.546 6.730 161 H ALA 20 HN ALA 20 11.919 -2.860 2.548 162 HA ALA 20 HA ALA 20 12.506 -5.724 2.153 163 1HB ALA 20 HB1 ALA 20 10.244 -4.230 0.917 164 2HB ALA 20 HB2 ALA 20 10.370 -5.943 1.319 165 3HB ALA 20 HB3 ALA 20 11.141 -5.322 -0.140 166 H VAL 21 HN VAL 21 13.257 -5.893 -0.349 167 HA VAL 21 HA VAL 21 15.611 -4.283 -0.633 168 HB VAL 21 HB VAL 21 15.234 -6.554 -1.581 169 1HG1 VAL 21 HG11 VAL 21 13.807 -6.969 -3.430 170 2HG1 VAL 21 HG12 VAL 21 13.542 -5.247 -3.702 171 3HG1 VAL 21 HG13 VAL 21 12.835 -6.036 -2.291 172 1HG2 VAL 21 HG21 VAL 21 15.979 -4.284 -3.405 173 2HG2 VAL 21 HG22 VAL 21 16.051 -5.954 -3.968 174 3HG2 VAL 21 HG23 VAL 21 17.039 -5.441 -2.600 175 H ASP 22 HN ASP 22 12.405 -4.100 -2.092 176 HA ASP 22 HA ASP 22 12.851 -1.277 -2.864 177 1HB ASP 22 HB2 ASP 22 12.255 -3.598 -4.721 178 2HB ASP 22 HB1 ASP 22 12.169 -1.900 -5.219 179 H ALA 23 HN ALA 23 10.738 -0.333 -3.677 180 HA ALA 23 HA ALA 23 8.529 -1.094 -1.973 181 1HB ALA 23 HB1 ALA 23 9.315 1.040 -3.732 182 2HB ALA 23 HB2 ALA 23 8.044 1.050 -2.511 183 3HB ALA 23 HB3 ALA 23 7.677 0.545 -4.160 184 H ALA 24 HN ALA 24 9.457 -1.899 -5.265 185 HA ALA 24 HA ALA 24 6.957 -2.825 -6.286 186 1HB ALA 24 HB1 ALA 24 9.505 -2.574 -7.194 187 2HB ALA 24 HB2 ALA 24 8.286 -3.541 -8.024 188 3HB ALA 24 HB3 ALA 24 9.445 -4.319 -6.946 189 H THR 25 HN THR 25 9.530 -4.559 -4.514 190 HA THR 25 HA THR 25 8.159 -7.099 -4.411 191 HB THR 25 HB THR 25 10.394 -5.797 -2.818 192 HG1 THR 25 HG1 THR 25 10.355 -7.842 -4.778 193 1HG2 THR 25 HG21 THR 25 9.523 -8.704 -2.748 194 2HG2 THR 25 HG22 THR 25 9.270 -7.543 -1.441 195 3HG2 THR 25 HG23 THR 25 10.909 -8.010 -1.904 196 H ALA 26 HN ALA 26 8.551 -4.464 -2.003 197 HA ALA 26 HA ALA 26 6.996 -5.632 0.067 198 1HB ALA 26 HB1 ALA 26 7.646 -2.797 -0.764 199 2HB ALA 26 HB2 ALA 26 8.343 -3.733 0.558 200 3HB ALA 26 HB3 ALA 26 6.688 -3.128 0.683 201 H GLU 27 HN GLU 27 5.984 -3.144 -2.302 202 HA GLU 27 HA GLU 27 3.310 -2.833 -1.750 203 1HB GLU 27 HB2 GLU 27 4.644 -1.735 -3.542 204 2HB GLU 27 HB1 GLU 27 4.542 -3.213 -4.498 205 1HG GLU 27 HG2 GLU 27 1.950 -2.936 -4.109 206 2HG GLU 27 HG1 GLU 27 2.378 -1.251 -3.811 207 H LYS 28 HN LYS 28 4.717 -5.662 -3.402 208 HA LYS 28 HA LYS 28 2.237 -6.887 -4.217 209 1HB LYS 28 HB2 LYS 28 4.910 -8.090 -3.390 210 2HB LYS 28 HB1 LYS 28 3.660 -8.931 -4.306 211 1HG LYS 28 HG2 LYS 28 4.021 -7.665 -6.224 212 2HG LYS 28 HG1 LYS 28 4.691 -6.305 -5.324 213 1HD LYS 28 HD2 LYS 28 6.668 -7.158 -6.128 214 2HD LYS 28 HD1 LYS 28 6.524 -8.173 -4.692 215 1HE LYS 28 HE2 LYS 28 6.043 -10.056 -5.916 216 2HE LYS 28 HE1 LYS 28 5.107 -9.151 -7.122 217 1HZ LYS 28 HZ1 LYS 28 8.059 -9.004 -6.815 218 2HZ LYS 28 HZ2 LYS 28 7.128 -8.236 -8.011 219 3HZ LYS 28 HZ3 LYS 28 7.264 -9.929 -7.993 220 H VAL 29 HN VAL 29 4.241 -7.159 -1.288 221 HA VAL 29 HA VAL 29 2.508 -9.006 0.124 222 HB VAL 29 HB VAL 29 4.710 -7.043 0.837 223 1HG1 VAL 29 HG11 VAL 29 3.287 -8.894 2.780 224 2HG1 VAL 29 HG12 VAL 29 3.161 -7.132 2.778 225 3HG1 VAL 29 HG13 VAL 29 4.707 -7.909 3.139 226 1HG2 VAL 29 HG21 VAL 29 4.611 -10.047 1.165 227 2HG2 VAL 29 HG22 VAL 29 6.033 -9.004 1.140 228 3HG2 VAL 29 HG23 VAL 29 5.114 -9.277 -0.340 229 H LEU 30 HN LEU 30 2.728 -5.463 -0.128 230 HA LEU 30 HA LEU 30 0.841 -4.863 1.944 231 1HB LEU 30 HB2 LEU 30 1.885 -3.465 -0.526 232 2HB LEU 30 HB1 LEU 30 0.682 -2.694 0.494 233 HG LEU 30 HG LEU 30 3.255 -2.237 0.882 234 1HD1 LEU 30 HD11 LEU 30 1.613 -1.224 2.284 235 2HD1 LEU 30 HD12 LEU 30 2.810 -1.978 3.345 236 3HD1 LEU 30 HD13 LEU 30 1.248 -2.762 3.072 237 1HD2 LEU 30 HD21 LEU 30 4.063 -3.688 2.806 238 2HD2 LEU 30 HD22 LEU 30 4.153 -4.395 1.207 239 3HD2 LEU 30 HD23 LEU 30 2.869 -4.870 2.314 240 H LYS 31 HN LYS 31 0.538 -5.738 -1.451 241 HA LYS 31 HA LYS 31 -2.253 -5.112 -1.846 242 1HB LYS 31 HB2 LYS 31 -0.258 -5.951 -3.431 243 2HB LYS 31 HB1 LYS 31 -0.900 -7.524 -3.024 244 1HG LYS 31 HG2 LYS 31 -2.691 -5.305 -4.017 245 2HG LYS 31 HG1 LYS 31 -1.858 -6.388 -5.131 246 1HD LYS 31 HD2 LYS 31 -3.783 -7.228 -2.937 247 2HD LYS 31 HD1 LYS 31 -4.121 -7.229 -4.667 248 1HE LYS 31 HE2 LYS 31 -1.715 -8.685 -4.376 249 2HE LYS 31 HE1 LYS 31 -2.793 -9.267 -3.087 250 1HZ LYS 31 HZ1 LYS 31 -3.585 -8.922 -5.936 251 2HZ LYS 31 HZ2 LYS 31 -4.554 -9.552 -4.690 252 3HZ LYS 31 HZ3 LYS 31 -3.187 -10.409 -5.224 253 H GLN 32 HN GLN 32 -0.502 -8.001 -0.759 254 HA GLN 32 HA GLN 32 -2.661 -9.792 -0.366 255 1HB GLN 32 HB2 GLN 32 0.085 -9.370 0.674 256 2HB GLN 32 HB1 GLN 32 -0.959 -10.435 1.616 257 1HG GLN 32 HG2 GLN 32 -0.943 -10.835 -1.331 258 2HG GLN 32 HG1 GLN 32 0.499 -11.339 -0.450 259 1HE2 GLN 32 HE21 GLN 32 0.371 -13.258 0.792 260 2HE2 GLN 32 HE22 GLN 32 -1.059 -14.171 0.974 261 H TYR 33 HN TYR 33 -1.342 -7.265 1.755 262 HA TYR 33 HA TYR 33 -3.013 -7.760 4.058 263 1HB TYR 33 HB2 TYR 33 -0.973 -6.401 4.108 264 2HB TYR 33 HB1 TYR 33 -1.666 -5.264 2.953 265 HD1 TYR 33 HD1 TYR 33 -2.041 -6.681 6.354 266 HD2 TYR 33 HD2 TYR 33 -3.115 -3.514 3.665 267 HE1 TYR 33 HE1 TYR 33 -3.088 -5.457 8.224 268 HE2 TYR 33 HE2 TYR 33 -4.159 -2.277 5.540 269 HH TYR 33 HH TYR 33 -3.847 -2.240 8.123 270 H ILE 34 HN ILE 34 -3.344 -5.730 1.168 271 HA ILE 34 HA ILE 34 -5.853 -4.484 1.848 272 HB ILE 34 HB ILE 34 -4.523 -5.146 -0.799 273 1HG1 ILE 34 HG12 ILE 34 -3.283 -3.744 0.991 274 2HG1 ILE 34 HG11 ILE 34 -3.385 -3.080 -0.634 275 1HG2 ILE 34 HG21 ILE 34 -5.892 -2.992 -1.450 276 2HG2 ILE 34 HG22 ILE 34 -6.924 -3.489 -0.109 277 3HG2 ILE 34 HG23 ILE 34 -6.669 -4.575 -1.475 278 1HD1 ILE 34 HD11 ILE 34 -3.969 -1.605 1.501 279 2HD1 ILE 34 HD12 ILE 34 -5.541 -2.385 1.325 280 3HD1 ILE 34 HD13 ILE 34 -4.879 -1.428 0.000 281 H ASN 35 HN ASN 35 -4.968 -7.590 0.450 282 HA ASN 35 HA ASN 35 -7.419 -8.374 -0.751 283 1HB ASN 35 HB2 ASN 35 -5.121 -9.476 -0.793 284 2HB ASN 35 HB1 ASN 35 -5.503 -10.138 0.796 285 1HD2 ASN 35 HD21 ASN 35 -5.125 -11.698 -1.695 286 2HD2 ASN 35 HD22 ASN 35 -6.590 -12.506 -1.979 287 H ASP 36 HN ASP 36 -6.450 -8.240 2.628 288 HA ASP 36 HA ASP 36 -8.622 -9.890 3.652 289 1HB ASP 36 HB2 ASP 36 -6.435 -9.500 4.778 290 2HB ASP 36 HB1 ASP 36 -6.862 -7.801 4.981 291 H ASN 37 HN ASN 37 -7.986 -6.362 3.827 292 HA ASN 37 HA ASN 37 -10.551 -5.629 4.860 293 1HB ASN 37 HB2 ASN 37 -8.521 -4.138 3.161 294 2HB ASN 37 HB1 ASN 37 -9.861 -3.366 4.017 295 1HD2 ASN 37 HD21 ASN 37 -8.399 -2.185 5.450 296 2HD2 ASN 37 HD22 ASN 37 -7.531 -2.986 6.682 297 H GLY 38 HN GLY 38 -9.416 -6.248 1.584 298 1HA GLY 38 HA2 GLY 38 -10.741 -6.720 -0.326 299 2HA GLY 38 HA1 GLY 38 -12.181 -6.308 0.607 300 H ILE 39 HN ILE 39 -9.388 -4.186 0.396 301 HA ILE 39 HA ILE 39 -11.073 -2.237 -1.142 302 HB ILE 39 HB ILE 39 -8.813 -1.830 0.848 303 1HG1 ILE 39 HG12 ILE 39 -10.878 -2.671 1.904 304 2HG1 ILE 39 HG11 ILE 39 -10.606 -0.981 2.335 305 1HG2 ILE 39 HG21 ILE 39 -10.613 0.140 -0.591 306 2HG2 ILE 39 HG22 ILE 39 -8.862 -0.002 -0.747 307 3HG2 ILE 39 HG23 ILE 39 -9.569 0.563 0.766 308 1HD1 ILE 39 HD11 ILE 39 -12.802 -2.189 0.798 309 2HD1 ILE 39 HD12 ILE 39 -12.105 -0.767 0.023 310 3HD1 ILE 39 HD13 ILE 39 -12.747 -0.652 1.661 311 H ASP 40 HN ASP 40 -10.159 -3.443 -3.096 312 HA ASP 40 HA ASP 40 -7.406 -2.444 -3.758 313 1HB ASP 40 HB2 ASP 40 -7.246 -4.503 -5.160 314 2HB ASP 40 HB1 ASP 40 -7.511 -4.882 -3.455 315 H GLY 41 HN GLY 41 -7.634 -0.784 -5.209 316 1HA GLY 41 HA2 GLY 41 -9.421 -1.200 -7.544 317 2HA GLY 41 HA1 GLY 41 -9.642 0.268 -6.588 318 H GLU 42 HN GLU 42 -7.891 1.827 -6.538 319 HA GLU 42 HA GLU 42 -5.897 1.481 -8.754 320 1HB GLU 42 HB2 GLU 42 -8.015 3.452 -8.257 321 2HB GLU 42 HB1 GLU 42 -6.445 4.205 -8.537 322 1HG GLU 42 HG2 GLU 42 -6.322 3.473 -10.708 323 2HG GLU 42 HG1 GLU 42 -7.202 1.983 -10.367 324 H TRP 43 HN TRP 43 -3.869 1.524 -7.908 325 HA TRP 43 HA TRP 43 -3.368 2.919 -5.320 326 1HB TRP 43 HB2 TRP 43 -1.801 0.968 -7.039 327 2HB TRP 43 HB1 TRP 43 -1.160 1.688 -5.573 328 HD1 TRP 43 HD1 TRP 43 -4.833 0.560 -5.718 329 HE1 TRP 43 HE1 TRP 43 -5.114 -1.462 -4.164 330 HE3 TRP 43 HE3 TRP 43 0.031 -0.244 -4.455 331 HZ2 TRP 43 HZ2 TRP 43 -3.499 -3.172 -2.555 332 HZ3 TRP 43 HZ3 TRP 43 0.634 -2.069 -2.882 333 HH2 TRP 43 HH2 TRP 43 -1.118 -3.527 -1.934 334 H THR 44 HN THR 44 -1.293 4.198 -5.219 335 HA THR 44 HA THR 44 -0.279 5.265 -7.787 336 HB THR 44 HB THR 44 -0.773 7.585 -7.104 337 HG1 THR 44 HG1 THR 44 -2.166 7.867 -5.299 338 1HG2 THR 44 HG21 THR 44 -3.326 5.983 -6.904 339 2HG2 THR 44 HG22 THR 44 -2.432 6.140 -8.416 340 3HG2 THR 44 HG23 THR 44 -3.093 7.573 -7.629 341 H TYR 45 HN TYR 45 1.889 5.586 -7.574 342 HA TYR 45 HA TYR 45 3.135 5.250 -4.920 343 1HB TYR 45 HB2 TYR 45 3.948 4.054 -6.914 344 2HB TYR 45 HB1 TYR 45 4.230 5.587 -7.738 345 HD1 TYR 45 HD1 TYR 45 6.458 6.222 -7.827 346 HD2 TYR 45 HD2 TYR 45 5.021 4.141 -4.357 347 HE1 TYR 45 HE1 TYR 45 8.714 6.362 -6.810 348 HE2 TYR 45 HE2 TYR 45 7.278 4.278 -3.340 349 HH TYR 45 HH TYR 45 9.616 6.333 -4.329 350 H ASP 46 HN ASP 46 4.844 6.820 -4.219 351 HA ASP 46 HA ASP 46 4.511 9.584 -5.319 352 1HB ASP 46 HB2 ASP 46 4.479 8.812 -2.378 353 2HB ASP 46 HB1 ASP 46 4.285 10.435 -3.032 354 H ASP 47 HN ASP 47 6.492 10.492 -5.671 355 HA ASP 47 HA ASP 47 8.947 9.122 -4.941 356 1HB ASP 47 HB2 ASP 47 8.579 10.454 -7.006 357 2HB ASP 47 HB1 ASP 47 8.437 11.912 -6.023 358 H ALA 48 HN ALA 48 6.911 11.180 -3.148 359 HA ALA 48 HA ALA 48 8.648 12.899 -1.728 360 1HB ALA 48 HB1 ALA 48 6.826 12.308 0.129 361 2HB ALA 48 HB2 ALA 48 6.057 11.476 -1.225 362 3HB ALA 48 HB3 ALA 48 6.379 13.209 -1.320 363 H THR 49 HN THR 49 7.369 9.876 -0.333 364 HA THR 49 HA THR 49 10.085 9.265 0.776 365 HB THR 49 HB THR 49 8.681 10.452 2.441 366 HG1 THR 49 HG1 THR 49 9.586 9.138 3.776 367 1HG2 THR 49 HG21 THR 49 6.747 8.183 1.897 368 2HG2 THR 49 HG22 THR 49 6.475 9.897 1.580 369 3HG2 THR 49 HG23 THR 49 6.594 9.316 3.242 370 H LYS 50 HN LYS 50 8.755 8.093 -1.512 371 HA LYS 50 HA LYS 50 8.199 5.993 -2.402 372 1HB LYS 50 HB2 LYS 50 9.499 5.126 0.201 373 2HB LYS 50 HB1 LYS 50 9.227 4.083 -1.194 374 1HG LYS 50 HG2 LYS 50 10.621 5.624 -2.574 375 2HG LYS 50 HG1 LYS 50 10.962 6.568 -1.124 376 1HD LYS 50 HD2 LYS 50 12.447 5.041 -0.327 377 2HD LYS 50 HD1 LYS 50 11.449 3.673 -0.818 378 1HE LYS 50 HE2 LYS 50 13.101 3.368 -2.383 379 2HE LYS 50 HE1 LYS 50 12.242 4.651 -3.258 380 1HZ LYS 50 HZ1 LYS 50 13.606 6.298 -2.277 381 2HZ LYS 50 HZ2 LYS 50 14.663 5.095 -2.844 382 3HZ LYS 50 HZ3 LYS 50 14.296 5.196 -1.188 383 H THR 51 HN THR 51 6.062 7.266 -1.171 384 HA THR 51 HA THR 51 4.730 5.362 0.661 385 HB THR 51 HB THR 51 3.368 7.721 -0.597 386 HG1 THR 51 HG1 THR 51 4.941 8.976 -0.055 387 1HG2 THR 51 HG21 THR 51 3.435 7.524 2.307 388 2HG2 THR 51 HG22 THR 51 2.877 6.023 1.569 389 3HG2 THR 51 HG23 THR 51 2.048 7.540 1.219 390 H TRP 52 HN TRP 52 2.136 5.363 -0.145 391 HA TRP 52 HA TRP 52 1.929 4.687 -3.016 392 1HB TRP 52 HB2 TRP 52 1.890 2.729 -0.727 393 2HB TRP 52 HB1 TRP 52 0.992 2.399 -2.202 394 HD1 TRP 52 HD1 TRP 52 4.482 2.479 -0.795 395 HE1 TRP 52 HE1 TRP 52 6.140 1.653 -2.595 396 HE3 TRP 52 HE3 TRP 52 1.374 2.331 -4.795 397 HZ2 TRP 52 HZ2 TRP 52 6.125 1.007 -5.394 398 HZ3 TRP 52 HZ3 TRP 52 2.195 1.607 -7.029 399 HH2 TRP 52 HH2 TRP 52 4.567 0.943 -7.329 400 H THR 53 HN THR 53 -0.462 3.438 -3.090 401 HA THR 53 HA THR 53 -2.390 4.629 -1.218 402 HB THR 53 HB THR 53 -2.490 5.376 -4.152 403 HG1 THR 53 HG1 THR 53 -0.758 6.465 -3.488 404 1HG2 THR 53 HG21 THR 53 -4.031 6.072 -1.682 405 2HG2 THR 53 HG22 THR 53 -4.620 5.728 -3.309 406 3HG2 THR 53 HG23 THR 53 -3.871 7.285 -2.953 407 H VAL 54 HN VAL 54 -4.694 4.021 -1.963 408 HA VAL 54 HA VAL 54 -5.068 1.896 -3.903 409 HB VAL 54 HB VAL 54 -3.813 0.595 -2.295 410 1HG1 VAL 54 HG11 VAL 54 -5.121 0.543 0.103 411 2HG1 VAL 54 HG12 VAL 54 -5.333 2.227 -0.371 412 3HG1 VAL 54 HG13 VAL 54 -3.715 1.545 -0.244 413 1HG2 VAL 54 HG21 VAL 54 -6.232 -0.203 -3.122 414 2HG2 VAL 54 HG22 VAL 54 -6.564 -0.142 -1.391 415 3HG2 VAL 54 HG23 VAL 54 -5.269 -1.175 -2.003 416 H THR 55 HN THR 55 -6.859 3.281 -4.439 417 HA THR 55 HA THR 55 -8.976 3.686 -2.389 418 HB THR 55 HB THR 55 -8.880 4.617 -5.269 419 HG1 THR 55 HG1 THR 55 -7.012 5.360 -4.405 420 1HG2 THR 55 HG21 THR 55 -10.408 6.285 -4.563 421 2HG2 THR 55 HG22 THR 55 -10.061 5.997 -2.858 422 3HG2 THR 55 HG23 THR 55 -10.976 4.807 -3.784 423 H GLU 56 HN GLU 56 -10.990 2.678 -2.541 424 HA GLU 56 HA GLU 56 -11.207 0.308 -4.255 425 1HB GLU 56 HB2 GLU 56 -12.025 0.894 -1.780 426 2HB GLU 56 HB1 GLU 56 -13.471 1.420 -2.642 427 1HG GLU 56 HG2 GLU 56 -12.353 -1.210 -3.456 428 2HG GLU 56 HG1 GLU 56 -13.078 -1.140 -1.850 Start of MODEL 22 1 1H THR 1 HT1 THR 1 14.165 7.541 4.336 2 2H THR 1 HT2 THR 1 14.025 6.063 5.162 3 3H THR 1 HT3 THR 1 12.647 7.015 4.879 4 HA THR 1 HA THR 1 12.940 6.684 2.460 5 HB THR 1 HB THR 1 15.030 4.691 3.373 6 HG1 THR 1 HG1 THR 1 16.208 6.392 3.686 7 1HG2 THR 1 HG21 THR 1 15.436 4.333 1.126 8 2HG2 THR 1 HG22 THR 1 14.894 5.947 0.664 9 3HG2 THR 1 HG23 THR 1 13.712 4.701 1.065 10 H THR 2 HN THR 2 11.003 5.968 4.210 11 HA THR 2 HA THR 2 10.737 2.989 4.009 12 HB THR 2 HB THR 2 9.127 4.877 5.735 13 HG1 THR 2 HG1 THR 2 11.110 5.313 6.444 14 1HG2 THR 2 HG21 THR 2 8.369 2.526 5.468 15 2HG2 THR 2 HG22 THR 2 8.862 2.880 7.124 16 3HG2 THR 2 HG23 THR 2 9.936 1.974 6.058 17 H PHE 3 HN PHE 3 8.977 2.153 2.888 18 HA PHE 3 HA PHE 3 7.507 3.918 1.086 19 1HB PHE 3 HB2 PHE 3 7.258 0.960 1.743 20 2HB PHE 3 HB1 PHE 3 6.529 1.755 0.348 21 HD1 PHE 3 HD1 PHE 3 8.488 3.491 -0.754 22 HD2 PHE 3 HD2 PHE 3 9.094 -0.334 1.111 23 HE1 PHE 3 HE1 PHE 3 10.603 3.208 -2.017 24 HE2 PHE 3 HE2 PHE 3 11.208 -0.614 -0.152 25 HZ PHE 3 HZ PHE 3 11.963 1.157 -1.715 26 H LYS 4 HN LYS 4 5.095 3.941 1.011 27 HA LYS 4 HA LYS 4 3.753 3.384 3.623 28 1HB LYS 4 HB2 LYS 4 4.674 5.764 3.391 29 2HB LYS 4 HB1 LYS 4 3.491 5.991 2.110 30 1HG LYS 4 HG2 LYS 4 1.664 5.469 3.639 31 2HG LYS 4 HG1 LYS 4 2.811 5.132 4.934 32 1HD LYS 4 HD2 LYS 4 3.275 7.353 5.293 33 2HD LYS 4 HD1 LYS 4 3.036 7.782 3.599 34 1HE LYS 4 HE2 LYS 4 1.066 8.677 4.369 35 2HE LYS 4 HE1 LYS 4 0.500 6.995 4.315 36 1HZ LYS 4 HZ1 LYS 4 0.169 7.909 6.521 37 2HZ LYS 4 HZ2 LYS 4 1.812 8.326 6.628 38 3HZ LYS 4 HZ3 LYS 4 1.349 6.692 6.572 39 H LEU 5 HN LEU 5 1.431 3.223 3.420 40 HA LEU 5 HA LEU 5 0.218 3.398 0.727 41 1HB LEU 5 HB2 LEU 5 1.371 1.064 1.332 42 2HB LEU 5 HB1 LEU 5 -0.128 0.822 2.221 43 HG LEU 5 HG LEU 5 -0.646 1.922 -0.433 44 1HD1 LEU 5 HD11 LEU 5 0.187 0.254 -1.840 45 2HD1 LEU 5 HD12 LEU 5 0.407 -0.894 -0.509 46 3HD1 LEU 5 HD13 LEU 5 1.523 0.463 -0.700 47 1HD2 LEU 5 HD21 LEU 5 -2.475 0.955 0.648 48 2HD2 LEU 5 HD22 LEU 5 -1.528 -0.406 1.250 49 3HD2 LEU 5 HD23 LEU 5 -1.986 -0.336 -0.452 50 H ILE 6 HN ILE 6 -1.890 4.061 0.949 51 HA ILE 6 HA ILE 6 -3.033 4.142 3.708 52 HB ILE 6 HB ILE 6 -3.569 5.670 1.146 53 1HG1 ILE 6 HG12 ILE 6 -1.413 6.162 2.264 54 2HG1 ILE 6 HG11 ILE 6 -2.511 7.538 2.346 55 1HG2 ILE 6 HG21 ILE 6 -4.738 6.106 3.913 56 2HG2 ILE 6 HG22 ILE 6 -5.619 5.464 2.526 57 3HG2 ILE 6 HG23 ILE 6 -5.020 7.122 2.499 58 1HD1 ILE 6 HD11 ILE 6 -2.201 7.536 4.580 59 2HD1 ILE 6 HD12 ILE 6 -1.329 6.005 4.510 60 3HD1 ILE 6 HD13 ILE 6 -3.087 6.013 4.636 61 H ILE 7 HN ILE 7 -4.677 2.751 4.154 62 HA ILE 7 HA ILE 7 -5.869 1.057 2.101 63 HB ILE 7 HB ILE 7 -6.525 1.506 5.035 64 1HG1 ILE 7 HG12 ILE 7 -4.871 -0.700 3.778 65 2HG1 ILE 7 HG11 ILE 7 -4.156 0.768 4.446 66 1HG2 ILE 7 HG21 ILE 7 -7.426 -0.493 2.980 67 2HG2 ILE 7 HG22 ILE 7 -8.373 0.336 4.216 68 3HG2 ILE 7 HG23 ILE 7 -7.295 -0.984 4.669 69 1HD1 ILE 7 HD11 ILE 7 -4.072 -0.610 6.309 70 2HD1 ILE 7 HD12 ILE 7 -5.539 -1.479 5.861 71 3HD1 ILE 7 HD13 ILE 7 -5.650 0.142 6.546 72 H ASN 8 HN ASN 8 -7.528 1.745 0.814 73 HA ASN 8 HA ASN 8 -9.400 3.831 1.884 74 1HB ASN 8 HB2 ASN 8 -8.256 3.185 -0.831 75 2HB ASN 8 HB1 ASN 8 -9.743 4.123 -0.692 76 1HD2 ASN 8 HD21 ASN 8 -8.563 6.033 -1.547 77 2HD2 ASN 8 HD22 ASN 8 -7.504 6.906 -0.533 78 H GLY 9 HN GLY 9 -10.019 1.309 2.684 79 1HA GLY 9 HA2 GLY 9 -11.793 0.014 0.723 80 2HA GLY 9 HA1 GLY 9 -11.478 -0.548 2.370 81 H LYS 10 HN LYS 10 -14.067 -0.088 0.939 82 HA LYS 10 HA LYS 10 -15.443 2.215 1.788 83 1HB LYS 10 HB2 LYS 10 -16.381 -0.650 1.457 84 2HB LYS 10 HB1 LYS 10 -17.449 0.753 1.509 85 1HG LYS 10 HG2 LYS 10 -15.801 1.623 -0.398 86 2HG LYS 10 HG1 LYS 10 -15.553 -0.107 -0.635 87 1HD LYS 10 HD2 LYS 10 -17.884 -0.480 -1.034 88 2HD LYS 10 HD1 LYS 10 -18.305 1.142 -0.482 89 1HE LYS 10 HE2 LYS 10 -18.282 1.609 -2.736 90 2HE LYS 10 HE1 LYS 10 -16.529 1.731 -2.481 91 1HZ LYS 10 HZ1 LYS 10 -17.936 -0.814 -3.082 92 2HZ LYS 10 HZ2 LYS 10 -16.258 -0.557 -3.023 93 3HZ LYS 10 HZ3 LYS 10 -17.184 0.140 -4.265 94 H THR 11 HN THR 11 -14.688 -0.747 3.569 95 HA THR 11 HA THR 11 -16.064 0.382 5.985 96 HB THR 11 HB THR 11 -15.278 -2.468 5.292 97 HG1 THR 11 HG1 THR 11 -17.776 -1.129 5.186 98 1HG2 THR 11 HG21 THR 11 -15.436 -2.164 7.683 99 2HG2 THR 11 HG22 THR 11 -16.900 -2.988 7.146 100 3HG2 THR 11 HG23 THR 11 -16.943 -1.264 7.516 101 H LEU 12 HN LEU 12 -13.054 -0.933 4.705 102 HA LEU 12 HA LEU 12 -11.735 -0.608 7.370 103 1HB LEU 12 HB2 LEU 12 -10.977 -2.017 4.791 104 2HB LEU 12 HB1 LEU 12 -9.944 -1.960 6.219 105 HG LEU 12 HG LEU 12 -12.753 -2.835 6.655 106 1HD1 LEU 12 HD11 LEU 12 -11.670 -5.229 6.047 107 2HD1 LEU 12 HD12 LEU 12 -10.826 -4.229 4.865 108 3HD1 LEU 12 HD13 LEU 12 -12.589 -4.280 4.879 109 1HD2 LEU 12 HD21 LEU 12 -10.562 -2.692 8.221 110 2HD2 LEU 12 HD22 LEU 12 -10.353 -4.328 7.598 111 3HD2 LEU 12 HD23 LEU 12 -11.823 -3.899 8.472 112 H LYS 13 HN LYS 13 -9.723 0.594 7.467 113 HA LYS 13 HA LYS 13 -8.740 2.091 5.160 114 1HB LYS 13 HB2 LYS 13 -10.993 3.077 6.373 115 2HB LYS 13 HB1 LYS 13 -9.727 3.921 7.265 116 1HG LYS 13 HG2 LYS 13 -8.773 4.787 5.212 117 2HG LYS 13 HG1 LYS 13 -9.879 3.815 4.240 118 1HD LYS 13 HD2 LYS 13 -10.802 6.027 4.298 119 2HD LYS 13 HD1 LYS 13 -11.785 5.049 5.389 120 1HE LYS 13 HE2 LYS 13 -11.380 6.810 6.827 121 2HE LYS 13 HE1 LYS 13 -9.876 5.916 7.126 122 1HZ LYS 13 HZ1 LYS 13 -8.871 7.126 5.254 123 2HZ LYS 13 HZ2 LYS 13 -9.349 8.172 6.504 124 3HZ LYS 13 HZ3 LYS 13 -10.287 8.046 5.093 125 H GLY 14 HN GLY 14 -7.164 3.915 6.114 126 1HA GLY 14 HA2 GLY 14 -5.884 4.393 8.287 127 2HA GLY 14 HA1 GLY 14 -5.660 2.645 8.363 128 H GLU 15 HN GLU 15 -3.323 3.676 8.380 129 HA GLU 15 HA GLU 15 -2.346 3.751 5.541 130 1HB GLU 15 HB2 GLU 15 -0.619 5.329 6.400 131 2HB GLU 15 HB1 GLU 15 -2.251 5.947 6.648 132 1HG GLU 15 HG2 GLU 15 -2.220 5.256 8.977 133 2HG GLU 15 HG1 GLU 15 -0.664 4.455 8.758 134 H THR 16 HN THR 16 0.028 3.064 5.413 135 HA THR 16 HA THR 16 1.084 1.413 7.600 136 HB THR 16 HB THR 16 -0.679 -0.023 6.670 137 HG1 THR 16 HG1 THR 16 1.856 -0.888 5.755 138 1HG2 THR 16 HG21 THR 16 0.735 0.568 4.061 139 2HG2 THR 16 HG22 THR 16 -0.972 0.785 4.454 140 3HG2 THR 16 HG23 THR 16 -0.313 -0.838 4.261 141 H THR 17 HN THR 17 3.278 0.866 7.248 142 HA THR 17 HA THR 17 4.481 1.692 4.629 143 HB THR 17 HB THR 17 6.321 2.707 5.995 144 HG1 THR 17 HG1 THR 17 6.194 2.707 8.130 145 1HG2 THR 17 HG21 THR 17 3.493 3.703 6.375 146 2HG2 THR 17 HG22 THR 17 4.676 4.231 5.178 147 3HG2 THR 17 HG23 THR 17 4.903 4.633 6.880 148 H THR 18 HN THR 18 6.556 0.620 4.209 149 HA THR 18 HA THR 18 7.191 -1.681 5.979 150 HB THR 18 HB THR 18 5.868 -1.691 3.363 151 HG1 THR 18 HG1 THR 18 6.646 -3.801 5.093 152 1HG2 THR 18 HG21 THR 18 8.380 -3.383 3.588 153 2HG2 THR 18 HG22 THR 18 8.150 -2.026 2.485 154 3HG2 THR 18 HG23 THR 18 7.168 -3.482 2.308 155 H GLU 19 HN GLU 19 9.373 -2.622 5.324 156 HA GLU 19 HA GLU 19 11.174 -0.487 4.221 157 1HB GLU 19 HB2 GLU 19 11.329 -0.869 6.677 158 2HB GLU 19 HB1 GLU 19 11.688 -2.570 6.373 159 1HG GLU 19 HG2 GLU 19 13.824 -2.137 5.672 160 2HG GLU 19 HG1 GLU 19 13.378 -0.603 4.924 161 H ALA 20 HN ALA 20 11.991 -1.165 2.276 162 HA ALA 20 HA ALA 20 13.027 -3.927 2.004 163 1HB ALA 20 HB1 ALA 20 11.598 -3.920 -0.235 164 2HB ALA 20 HB2 ALA 20 10.599 -2.780 0.669 165 3HB ALA 20 HB3 ALA 20 10.864 -4.410 1.292 166 H VAL 21 HN VAL 21 13.593 -4.033 -0.618 167 HA VAL 21 HA VAL 21 15.726 -2.099 -0.982 168 HB VAL 21 HB VAL 21 15.694 -4.494 -1.735 169 1HG1 VAL 21 HG11 VAL 21 13.900 -3.559 -3.971 170 2HG1 VAL 21 HG12 VAL 21 13.297 -4.417 -2.553 171 3HG1 VAL 21 HG13 VAL 21 14.442 -5.204 -3.640 172 1HG2 VAL 21 HG21 VAL 21 16.022 -3.002 -4.268 173 2HG2 VAL 21 HG22 VAL 21 17.165 -4.043 -3.422 174 3HG2 VAL 21 HG23 VAL 21 16.927 -2.379 -2.890 175 H ASP 22 HN ASP 22 12.532 -2.585 -2.380 176 HA ASP 22 HA ASP 22 12.481 0.202 -3.384 177 1HB ASP 22 HB2 ASP 22 12.235 -2.335 -5.023 178 2HB ASP 22 HB1 ASP 22 11.855 -0.723 -5.652 179 H ALA 23 HN ALA 23 10.264 0.859 -3.915 180 HA ALA 23 HA ALA 23 8.242 -0.161 -2.174 181 1HB ALA 23 HB1 ALA 23 7.679 1.950 -2.835 182 2HB ALA 23 HB2 ALA 23 6.901 1.147 -4.199 183 3HB ALA 23 HB3 ALA 23 8.535 1.790 -4.368 184 H ALA 24 HN ALA 24 9.179 -1.067 -5.439 185 HA ALA 24 HA ALA 24 6.818 -2.444 -6.273 186 1HB ALA 24 HB1 ALA 24 9.674 -3.276 -6.844 187 2HB ALA 24 HB2 ALA 24 8.970 -1.820 -7.548 188 3HB ALA 24 HB3 ALA 24 8.276 -3.400 -7.912 189 H THR 25 HN THR 25 9.697 -3.597 -4.503 190 HA THR 25 HA THR 25 8.761 -6.311 -4.160 191 HB THR 25 HB THR 25 10.824 -4.556 -2.787 192 HG1 THR 25 HG1 THR 25 11.910 -5.140 -4.457 193 1HG2 THR 25 HG21 THR 25 10.050 -6.340 -1.228 194 2HG2 THR 25 HG22 THR 25 11.723 -6.580 -1.743 195 3HG2 THR 25 HG23 THR 25 10.434 -7.548 -2.458 196 H ALA 26 HN ALA 26 8.832 -3.472 -1.959 197 HA ALA 26 HA ALA 26 7.557 -4.709 0.260 198 1HB ALA 26 HB1 ALA 26 6.894 -2.249 0.735 199 2HB ALA 26 HB2 ALA 26 7.713 -1.873 -0.787 200 3HB ALA 26 HB3 ALA 26 8.617 -2.593 0.545 201 H GLU 27 HN GLU 27 6.091 -2.588 -2.223 202 HA GLU 27 HA GLU 27 3.422 -2.639 -1.571 203 1HB GLU 27 HB2 GLU 27 4.502 -1.492 -3.495 204 2HB GLU 27 HB1 GLU 27 4.610 -3.038 -4.337 205 1HG GLU 27 HG2 GLU 27 2.039 -3.173 -3.927 206 2HG GLU 27 HG1 GLU 27 2.156 -1.435 -3.649 207 H LYS 28 HN LYS 28 5.188 -5.347 -3.073 208 HA LYS 28 HA LYS 28 2.896 -6.990 -3.683 209 1HB LYS 28 HB2 LYS 28 5.753 -7.702 -2.901 210 2HB LYS 28 HB1 LYS 28 4.615 -8.801 -3.680 211 1HG LYS 28 HG2 LYS 28 4.695 -7.666 -5.709 212 2HG LYS 28 HG1 LYS 28 5.179 -6.146 -4.955 213 1HD LYS 28 HD2 LYS 28 7.231 -6.757 -5.796 214 2HD LYS 28 HD1 LYS 28 7.307 -7.645 -4.274 215 1HE LYS 28 HE2 LYS 28 6.008 -9.480 -5.784 216 2HE LYS 28 HE1 LYS 28 6.969 -8.680 -7.042 217 1HZ LYS 28 HZ1 LYS 28 8.064 -9.590 -4.435 218 2HZ LYS 28 HZ2 LYS 28 8.942 -8.967 -5.750 219 3HZ LYS 28 HZ3 LYS 28 8.184 -10.482 -5.872 220 H VAL 29 HN VAL 29 5.025 -6.733 -0.843 221 HA VAL 29 HA VAL 29 3.644 -8.696 0.782 222 HB VAL 29 HB VAL 29 5.552 -6.382 1.242 223 1HG1 VAL 29 HG11 VAL 29 4.498 -8.263 3.382 224 2HG1 VAL 29 HG12 VAL 29 4.109 -6.544 3.260 225 3HG1 VAL 29 HG13 VAL 29 5.766 -7.055 3.598 226 1HG2 VAL 29 HG21 VAL 29 5.773 -9.394 1.500 227 2HG2 VAL 29 HG22 VAL 29 7.066 -8.260 1.889 228 3HG2 VAL 29 HG23 VAL 29 6.480 -8.395 0.231 229 H LEU 30 HN LEU 30 3.324 -5.184 0.280 230 HA LEU 30 HA LEU 30 1.440 -4.721 2.391 231 1HB LEU 30 HB2 LEU 30 2.179 -3.362 -0.208 232 2HB LEU 30 HB1 LEU 30 0.912 -2.705 0.814 233 HG LEU 30 HG LEU 30 3.392 -1.844 1.059 234 1HD1 LEU 30 HD11 LEU 30 3.014 -1.510 3.525 235 2HD1 LEU 30 HD12 LEU 30 1.581 -2.538 3.371 236 3HD1 LEU 30 HD13 LEU 30 1.672 -1.012 2.488 237 1HD2 LEU 30 HD21 LEU 30 3.474 -4.403 2.666 238 2HD2 LEU 30 HD22 LEU 30 4.512 -3.033 2.994 239 3HD2 LEU 30 HD23 LEU 30 4.607 -3.838 1.442 240 H LYS 31 HN LYS 31 1.157 -5.856 -0.930 241 HA LYS 31 HA LYS 31 -1.709 -5.679 -1.240 242 1HB LYS 31 HB2 LYS 31 0.332 -6.316 -2.857 243 2HB LYS 31 HB1 LYS 31 -0.043 -7.936 -2.323 244 1HG LYS 31 HG2 LYS 31 -2.194 -6.093 -3.369 245 2HG LYS 31 HG1 LYS 31 -1.239 -7.103 -4.453 246 1HD LYS 31 HD2 LYS 31 -2.930 -8.088 -2.132 247 2HD LYS 31 HD1 LYS 31 -3.321 -8.256 -3.842 248 1HE LYS 31 HE2 LYS 31 -0.706 -9.296 -3.571 249 2HE LYS 31 HE1 LYS 31 -1.633 -9.951 -2.201 250 1HZ LYS 31 HZ1 LYS 31 -3.447 -10.436 -3.825 251 2HZ LYS 31 HZ2 LYS 31 -2.040 -11.358 -4.068 252 3HZ LYS 31 HZ3 LYS 31 -2.378 -10.034 -5.079 253 H GLN 32 HN GLN 32 0.492 -8.197 -0.054 254 HA GLN 32 HA GLN 32 -1.359 -10.257 0.538 255 1HB GLN 32 HB2 GLN 32 1.322 -9.363 1.453 256 2HB GLN 32 HB1 GLN 32 0.478 -10.525 2.477 257 1HG GLN 32 HG2 GLN 32 0.331 -12.128 0.733 258 2HG GLN 32 HG1 GLN 32 0.746 -10.936 -0.499 259 1HE2 GLN 32 HE21 GLN 32 3.011 -10.269 -0.672 260 2HE2 GLN 32 HE22 GLN 32 4.255 -11.180 0.059 261 H TYR 33 HN TYR 33 -0.373 -7.420 2.440 262 HA TYR 33 HA TYR 33 -1.884 -8.006 4.834 263 1HB TYR 33 HB2 TYR 33 -0.070 -6.362 4.731 264 2HB TYR 33 HB1 TYR 33 -0.950 -5.419 3.528 265 HD1 TYR 33 HD1 TYR 33 -1.039 -6.644 7.022 266 HD2 TYR 33 HD2 TYR 33 -2.618 -3.850 4.175 267 HE1 TYR 33 HE1 TYR 33 -2.211 -5.462 8.844 268 HE2 TYR 33 HE2 TYR 33 -3.790 -2.654 6.002 269 HH TYR 33 HH TYR 33 -3.198 -2.555 8.816 270 H ILE 34 HN ILE 34 -2.595 -6.244 1.837 271 HA ILE 34 HA ILE 34 -5.243 -5.341 2.532 272 HB ILE 34 HB ILE 34 -3.899 -5.971 -0.115 273 1HG1 ILE 34 HG12 ILE 34 -2.833 -4.287 1.529 274 2HG1 ILE 34 HG11 ILE 34 -3.098 -3.744 -0.123 275 1HG2 ILE 34 HG21 ILE 34 -6.372 -4.326 0.481 276 2HG2 ILE 34 HG22 ILE 34 -6.303 -5.827 -0.442 277 3HG2 ILE 34 HG23 ILE 34 -5.549 -4.366 -1.079 278 1HD1 ILE 34 HD11 ILE 34 -3.811 -2.217 1.903 279 2HD1 ILE 34 HD12 ILE 34 -5.224 -3.273 1.947 280 3HD1 ILE 34 HD13 ILE 34 -4.861 -2.347 0.490 281 H ASN 35 HN ASN 35 -3.940 -8.363 1.283 282 HA ASN 35 HA ASN 35 -6.285 -9.576 0.234 283 1HB ASN 35 HB2 ASN 35 -3.854 -10.324 0.140 284 2HB ASN 35 HB1 ASN 35 -4.060 -10.930 1.784 285 1HD2 ASN 35 HD21 ASN 35 -5.854 -11.119 -1.355 286 2HD2 ASN 35 HD22 ASN 35 -6.221 -12.770 -1.207 287 H ASP 36 HN ASP 36 -5.184 -9.163 3.559 288 HA ASP 36 HA ASP 36 -7.143 -11.001 4.719 289 1HB ASP 36 HB2 ASP 36 -4.801 -10.156 5.554 290 2HB ASP 36 HB1 ASP 36 -5.718 -8.781 6.172 291 H ASN 37 HN ASN 37 -6.808 -7.451 4.466 292 HA ASN 37 HA ASN 37 -9.267 -6.820 5.841 293 1HB ASN 37 HB2 ASN 37 -7.592 -5.317 3.799 294 2HB ASN 37 HB1 ASN 37 -8.862 -4.585 4.786 295 1HD2 ASN 37 HD21 ASN 37 -7.686 -3.315 6.264 296 2HD2 ASN 37 HD22 ASN 37 -6.446 -3.919 7.267 297 H GLY 38 HN GLY 38 -8.478 -7.628 2.507 298 1HA GLY 38 HA2 GLY 38 -9.966 -8.323 0.799 299 2HA GLY 38 HA1 GLY 38 -11.317 -7.972 1.877 300 H ILE 39 HN ILE 39 -8.756 -5.667 1.135 301 HA ILE 39 HA ILE 39 -10.790 -3.984 -0.296 302 HB ILE 39 HB ILE 39 -8.402 -3.199 1.412 303 1HG1 ILE 39 HG12 ILE 39 -10.223 -4.191 2.747 304 2HG1 ILE 39 HG11 ILE 39 -10.112 -2.454 3.044 305 1HG2 ILE 39 HG21 ILE 39 -8.899 -1.537 -0.324 306 2HG2 ILE 39 HG22 ILE 39 -9.369 -0.919 1.259 307 3HG2 ILE 39 HG23 ILE 39 -10.597 -1.528 0.150 308 1HD1 ILE 39 HD11 ILE 39 -11.867 -2.589 0.907 309 2HD1 ILE 39 HD12 ILE 39 -12.335 -2.409 2.598 310 3HD1 ILE 39 HD13 ILE 39 -12.304 -4.009 1.858 311 H ASP 40 HN ASP 40 -9.926 -5.252 -2.242 312 HA ASP 40 HA ASP 40 -7.344 -4.075 -3.224 313 1HB ASP 40 HB2 ASP 40 -7.765 -6.647 -2.736 314 2HB ASP 40 HB1 ASP 40 -8.575 -6.592 -4.306 315 H GLY 41 HN GLY 41 -8.033 -2.359 -4.505 316 1HA GLY 41 HA2 GLY 41 -9.900 -3.033 -6.732 317 2HA GLY 41 HA1 GLY 41 -10.171 -1.567 -5.784 318 H GLU 42 HN GLU 42 -8.592 0.150 -5.929 319 HA GLU 42 HA GLU 42 -6.720 -0.085 -8.262 320 1HB GLU 42 HB2 GLU 42 -9.065 1.581 -7.820 321 2HB GLU 42 HB1 GLU 42 -7.636 2.583 -8.065 322 1HG GLU 42 HG2 GLU 42 -8.027 2.258 -10.276 323 2HG GLU 42 HG1 GLU 42 -7.305 0.671 -10.013 324 H TRP 43 HN TRP 43 -4.662 0.300 -7.585 325 HA TRP 43 HA TRP 43 -4.198 1.860 -5.084 326 1HB TRP 43 HB2 TRP 43 -2.492 0.057 -6.831 327 2HB TRP 43 HB1 TRP 43 -1.857 0.935 -5.453 328 HD1 TRP 43 HD1 TRP 43 -5.330 -0.715 -5.307 329 HE1 TRP 43 HE1 TRP 43 -5.223 -2.655 -3.630 330 HE3 TRP 43 HE3 TRP 43 -0.347 -0.706 -4.296 331 HZ2 TRP 43 HZ2 TRP 43 -3.286 -4.000 -2.026 332 HZ3 TRP 43 HZ3 TRP 43 0.607 -2.318 -2.662 333 HH2 TRP 43 HH2 TRP 43 -0.850 -3.957 -1.532 334 H THR 44 HN THR 44 -2.369 3.449 -5.162 335 HA THR 44 HA THR 44 -1.660 4.506 -7.839 336 HB THR 44 HB THR 44 -2.443 6.758 -7.238 337 HG1 THR 44 HG1 THR 44 -3.792 6.881 -5.326 338 1HG2 THR 44 HG21 THR 44 -4.726 4.851 -6.718 339 2HG2 THR 44 HG22 THR 44 -3.979 4.997 -8.309 340 3HG2 THR 44 HG23 THR 44 -4.764 6.394 -7.572 341 H TYR 45 HN TYR 45 0.448 5.114 -7.792 342 HA TYR 45 HA TYR 45 1.860 5.177 -5.185 343 1HB TYR 45 HB2 TYR 45 2.677 3.800 -7.064 344 2HB TYR 45 HB1 TYR 45 2.792 5.236 -8.079 345 HD1 TYR 45 HD1 TYR 45 4.969 5.978 -8.377 346 HD2 TYR 45 HD2 TYR 45 3.821 4.349 -4.573 347 HE1 TYR 45 HE1 TYR 45 7.243 6.429 -7.499 348 HE2 TYR 45 HE2 TYR 45 6.097 4.796 -3.695 349 HH TYR 45 HH TYR 45 8.190 6.842 -4.976 350 H ASP 46 HN ASP 46 3.429 6.981 -4.791 351 HA ASP 46 HA ASP 46 2.806 9.519 -6.247 352 1HB ASP 46 HB2 ASP 46 2.912 9.188 -3.227 353 2HB ASP 46 HB1 ASP 46 2.543 10.669 -4.103 354 H ASP 47 HN ASP 47 4.699 10.484 -6.832 355 HA ASP 47 HA ASP 47 7.280 9.482 -5.972 356 1HB ASP 47 HB2 ASP 47 6.765 10.438 -8.202 357 2HB ASP 47 HB1 ASP 47 6.481 12.010 -7.453 358 H ALA 48 HN ALA 48 5.094 11.647 -4.484 359 HA ALA 48 HA ALA 48 6.692 13.691 -3.378 360 1HB ALA 48 HB1 ALA 48 4.250 12.140 -2.579 361 2HB ALA 48 HB2 ALA 48 4.403 13.854 -2.974 362 3HB ALA 48 HB3 ALA 48 4.955 13.258 -1.408 363 H THR 49 HN THR 49 5.711 10.806 -1.522 364 HA THR 49 HA THR 49 8.476 10.638 -0.377 365 HB THR 49 HB THR 49 6.988 11.877 1.147 366 HG1 THR 49 HG1 THR 49 8.184 10.751 2.459 367 1HG2 THR 49 HG21 THR 49 4.797 11.385 1.267 368 2HG2 THR 49 HG22 THR 49 5.183 9.796 1.926 369 3HG2 THR 49 HG23 THR 49 5.048 10.017 0.181 370 H LYS 50 HN LYS 50 7.205 9.050 -2.467 371 HA LYS 50 HA LYS 50 6.885 6.805 -3.074 372 1HB LYS 50 HB2 LYS 50 8.396 6.432 -0.468 373 2HB LYS 50 HB1 LYS 50 8.217 5.210 -1.725 374 1HG LYS 50 HG2 LYS 50 9.335 6.743 -3.337 375 2HG LYS 50 HG1 LYS 50 9.587 7.898 -2.028 376 1HD LYS 50 HD2 LYS 50 11.285 6.687 -1.111 377 2HD LYS 50 HD1 LYS 50 10.491 5.145 -1.434 378 1HE LYS 50 HE2 LYS 50 12.092 4.902 -3.048 379 2HE LYS 50 HE1 LYS 50 11.100 6.037 -3.985 380 1HZ LYS 50 HZ1 LYS 50 12.279 7.866 -2.845 381 2HZ LYS 50 HZ2 LYS 50 13.310 6.922 -3.810 382 3HZ LYS 50 HZ3 LYS 50 13.309 6.729 -2.122 383 H THR 51 HN THR 51 4.624 7.898 -1.876 384 HA THR 51 HA THR 51 3.682 5.946 0.164 385 HB THR 51 HB THR 51 2.461 8.446 -1.068 386 HG1 THR 51 HG1 THR 51 3.011 9.320 0.966 387 1HG2 THR 51 HG21 THR 51 1.023 8.230 1.092 388 2HG2 THR 51 HG22 THR 51 1.515 6.536 1.060 389 3HG2 THR 51 HG23 THR 51 0.612 7.218 -0.293 390 H TRP 52 HN TRP 52 1.404 5.046 -0.260 391 HA TRP 52 HA TRP 52 0.932 4.516 -3.173 392 1HB TRP 52 HB2 TRP 52 1.283 2.646 -0.837 393 2HB TRP 52 HB1 TRP 52 0.373 2.153 -2.258 394 HD1 TRP 52 HD1 TRP 52 3.888 2.794 -1.044 395 HE1 TRP 52 HE1 TRP 52 5.552 2.126 -2.903 396 HE3 TRP 52 HE3 TRP 52 0.629 1.996 -4.838 397 HZ2 TRP 52 HZ2 TRP 52 5.484 1.342 -5.666 398 HZ3 TRP 52 HZ3 TRP 52 1.426 1.285 -7.085 399 HH2 TRP 52 HH2 TRP 52 3.852 0.956 -7.499 400 H THR 53 HN THR 53 -1.257 2.965 -3.065 401 HA THR 53 HA THR 53 -3.225 3.939 -1.106 402 HB THR 53 HB THR 53 -3.624 4.531 -4.048 403 HG1 THR 53 HG1 THR 53 -3.090 6.711 -3.383 404 1HG2 THR 53 HG21 THR 53 -5.160 6.294 -2.867 405 2HG2 THR 53 HG22 THR 53 -5.018 5.215 -1.479 406 3HG2 THR 53 HG23 THR 53 -5.702 4.620 -2.992 407 H VAL 54 HN VAL 54 -5.465 2.985 -1.730 408 HA VAL 54 HA VAL 54 -5.597 0.743 -3.567 409 HB VAL 54 HB VAL 54 -4.125 -0.323 -1.984 410 1HG1 VAL 54 HG11 VAL 54 -4.574 -0.378 0.424 411 2HG1 VAL 54 HG12 VAL 54 -6.021 0.598 0.183 412 3HG1 VAL 54 HG13 VAL 54 -4.432 1.282 -0.147 413 1HG2 VAL 54 HG21 VAL 54 -6.449 -1.472 -2.615 414 2HG2 VAL 54 HG22 VAL 54 -6.715 -1.332 -0.878 415 3HG2 VAL 54 HG23 VAL 54 -5.324 -2.237 -1.486 416 H THR 55 HN THR 55 -7.520 2.095 -3.990 417 HA THR 55 HA THR 55 -9.626 2.241 -1.933 418 HB THR 55 HB THR 55 -9.812 2.920 -4.874 419 HG1 THR 55 HG1 THR 55 -8.445 4.470 -4.579 420 1HG2 THR 55 HG21 THR 55 -11.054 4.055 -2.352 421 2HG2 THR 55 HG22 THR 55 -11.875 3.104 -3.590 422 3HG2 THR 55 HG23 THR 55 -11.283 4.721 -3.969 423 H GLU 56 HN GLU 56 -11.377 0.863 -1.816 424 HA GLU 56 HA GLU 56 -11.385 -1.684 -3.108 425 1HB GLU 56 HB2 GLU 56 -12.628 -0.555 -0.996 426 2HB GLU 56 HB1 GLU 56 -13.944 -0.475 -2.168 427 1HG GLU 56 HG2 GLU 56 -12.375 -3.017 -1.722 428 2HG GLU 56 HG1 GLU 56 -13.782 -2.613 -0.738 Start of MODEL 23 1 1H THR 1 HT1 THR 1 15.176 3.709 4.052 2 2H THR 1 HT2 THR 1 15.979 4.254 2.658 3 3H THR 1 HT3 THR 1 15.313 2.692 2.702 4 HA THR 1 HA THR 1 13.722 5.203 2.859 5 HB THR 1 HB THR 1 13.131 4.369 0.484 6 HG1 THR 1 HG1 THR 1 14.076 2.333 0.670 7 1HG2 THR 1 HG21 THR 1 14.895 5.641 -0.465 8 2HG2 THR 1 HG22 THR 1 16.009 5.210 0.832 9 3HG2 THR 1 HG23 THR 1 14.671 6.314 1.150 10 H THR 2 HN THR 2 12.146 4.483 4.309 11 HA THR 2 HA THR 2 11.103 1.738 4.220 12 HB THR 2 HB THR 2 10.095 4.182 5.707 13 HG1 THR 2 HG1 THR 2 11.865 4.070 6.794 14 1HG2 THR 2 HG21 THR 2 8.518 2.555 6.133 15 2HG2 THR 2 HG22 THR 2 9.698 2.136 7.375 16 3HG2 THR 2 HG23 THR 2 9.654 1.234 5.860 17 H PHE 3 HN PHE 3 9.435 1.112 2.918 18 HA PHE 3 HA PHE 3 8.065 2.983 1.166 19 1HB PHE 3 HB2 PHE 3 7.569 0.063 1.849 20 2HB PHE 3 HB1 PHE 3 6.883 0.911 0.463 21 HD1 PHE 3 HD1 PHE 3 8.970 2.468 -0.681 22 HD2 PHE 3 HD2 PHE 3 9.264 -1.397 1.178 23 HE1 PHE 3 HE1 PHE 3 11.026 1.996 -1.984 24 HE2 PHE 3 HE2 PHE 3 11.320 -1.865 -0.126 25 HZ PHE 3 HZ PHE 3 12.201 -0.169 -1.706 26 H LYS 4 HN LYS 4 5.751 3.414 1.180 27 HA LYS 4 HA LYS 4 4.333 2.879 3.762 28 1HB LYS 4 HB2 LYS 4 5.527 5.130 3.667 29 2HB LYS 4 HB1 LYS 4 4.439 5.559 2.354 30 1HG LYS 4 HG2 LYS 4 2.496 5.166 3.813 31 2HG LYS 4 HG1 LYS 4 3.575 4.732 5.137 32 1HD LYS 4 HD2 LYS 4 4.140 6.897 5.565 33 2HD LYS 4 HD1 LYS 4 4.170 7.329 3.856 34 1HE LYS 4 HE2 LYS 4 2.000 8.042 3.881 35 2HE LYS 4 HE1 LYS 4 1.475 6.689 4.903 36 1HZ LYS 4 HZ1 LYS 4 3.096 8.992 5.852 37 2HZ LYS 4 HZ2 LYS 4 2.483 7.726 6.805 38 3HZ LYS 4 HZ3 LYS 4 1.423 8.840 6.083 39 H LEU 5 HN LEU 5 1.994 3.067 3.552 40 HA LEU 5 HA LEU 5 0.820 3.510 0.883 41 1HB LEU 5 HB2 LEU 5 1.736 1.032 1.321 42 2HB LEU 5 HB1 LEU 5 0.207 0.878 2.176 43 HG LEU 5 HG LEU 5 -0.136 2.212 -0.404 44 1HD1 LEU 5 HD11 LEU 5 1.848 0.526 -0.740 45 2HD1 LEU 5 HD12 LEU 5 0.516 0.541 -1.902 46 3HD1 LEU 5 HD13 LEU 5 0.580 -0.701 -0.638 47 1HD2 LEU 5 HD21 LEU 5 -1.976 1.295 0.934 48 2HD2 LEU 5 HD22 LEU 5 -1.273 -0.320 0.824 49 3HD2 LEU 5 HD23 LEU 5 -1.894 0.473 -0.624 50 H ILE 6 HN ILE 6 -1.238 4.321 1.147 51 HA ILE 6 HA ILE 6 -2.384 4.301 3.910 52 HB ILE 6 HB ILE 6 -2.742 6.091 1.490 53 1HG1 ILE 6 HG12 ILE 6 -0.559 6.275 2.645 54 2HG1 ILE 6 HG11 ILE 6 -1.522 7.737 2.853 55 1HG2 ILE 6 HG21 ILE 6 -4.812 6.262 2.600 56 2HG2 ILE 6 HG22 ILE 6 -3.873 7.583 3.296 57 3HG2 ILE 6 HG23 ILE 6 -4.076 6.079 4.193 58 1HD1 ILE 6 HD11 ILE 6 -0.521 5.889 4.866 59 2HD1 ILE 6 HD12 ILE 6 -2.267 6.095 4.999 60 3HD1 ILE 6 HD13 ILE 6 -1.205 7.501 5.075 61 H ILE 7 HN ILE 7 -4.318 3.277 4.255 62 HA ILE 7 HA ILE 7 -5.592 1.808 2.044 63 HB ILE 7 HB ILE 7 -6.223 2.041 5.007 64 1HG1 ILE 7 HG12 ILE 7 -4.768 -0.189 3.561 65 2HG1 ILE 7 HG11 ILE 7 -3.923 1.145 4.347 66 1HG2 ILE 7 HG21 ILE 7 -7.228 0.257 2.792 67 2HG2 ILE 7 HG22 ILE 7 -8.160 1.155 3.990 68 3HG2 ILE 7 HG23 ILE 7 -7.256 -0.280 4.472 69 1HD1 ILE 7 HD11 ILE 7 -3.977 -0.326 6.119 70 2HD1 ILE 7 HD12 ILE 7 -5.458 -1.105 5.562 71 3HD1 ILE 7 HD13 ILE 7 -5.535 0.460 6.372 72 H ASN 8 HN ASN 8 -7.067 2.883 0.794 73 HA ASN 8 HA ASN 8 -8.760 5.003 2.065 74 1HB ASN 8 HB2 ASN 8 -7.659 4.468 -0.686 75 2HB ASN 8 HB1 ASN 8 -9.077 5.499 -0.499 76 1HD2 ASN 8 HD21 ASN 8 -7.235 7.043 -1.454 77 2HD2 ASN 8 HD22 ASN 8 -6.348 7.911 -0.284 78 H GLY 9 HN GLY 9 -9.666 2.522 2.681 79 1HA GLY 9 HA2 GLY 9 -11.502 1.494 0.643 80 2HA GLY 9 HA1 GLY 9 -11.359 0.907 2.304 81 H LYS 10 HN LYS 10 -13.838 1.482 0.916 82 HA LYS 10 HA LYS 10 -15.020 3.970 1.487 83 1HB LYS 10 HB2 LYS 10 -16.156 1.159 1.471 84 2HB LYS 10 HB1 LYS 10 -17.142 2.622 1.426 85 1HG LYS 10 HG2 LYS 10 -15.930 3.322 -0.646 86 2HG LYS 10 HG1 LYS 10 -15.074 1.780 -0.626 87 1HD LYS 10 HD2 LYS 10 -17.059 0.543 -1.008 88 2HD LYS 10 HD1 LYS 10 -18.089 1.910 -0.581 89 1HE LYS 10 HE2 LYS 10 -16.695 3.008 -2.642 90 2HE LYS 10 HE1 LYS 10 -16.737 1.308 -3.153 91 1HZ LYS 10 HZ1 LYS 10 -18.744 2.532 -3.835 92 2HZ LYS 10 HZ2 LYS 10 -19.091 2.856 -2.204 93 3HZ LYS 10 HZ3 LYS 10 -19.102 1.256 -2.777 94 H THR 11 HN THR 11 -14.349 1.257 3.622 95 HA THR 11 HA THR 11 -15.468 2.838 5.914 96 HB THR 11 HB THR 11 -15.450 -0.177 5.698 97 HG1 THR 11 HG1 THR 11 -17.647 0.096 5.018 98 1HG2 THR 11 HG21 THR 11 -15.807 1.076 7.902 99 2HG2 THR 11 HG22 THR 11 -17.058 -0.082 7.449 100 3HG2 THR 11 HG23 THR 11 -17.326 1.644 7.209 101 H LEU 12 HN LEU 12 -13.163 0.302 4.910 102 HA LEU 12 HA LEU 12 -11.642 0.536 7.430 103 1HB LEU 12 HB2 LEU 12 -11.251 -1.042 4.865 104 2HB LEU 12 HB1 LEU 12 -10.293 -1.255 6.331 105 HG LEU 12 HG LEU 12 -13.281 -1.401 6.524 106 1HD1 LEU 12 HD11 LEU 12 -13.261 -3.762 5.958 107 2HD1 LEU 12 HD12 LEU 12 -11.516 -3.728 5.707 108 3HD1 LEU 12 HD13 LEU 12 -12.582 -2.862 4.602 109 1HD2 LEU 12 HD21 LEU 12 -10.953 -2.754 7.926 110 2HD2 LEU 12 HD22 LEU 12 -12.652 -3.045 8.302 111 3HD2 LEU 12 HD23 LEU 12 -11.949 -1.450 8.572 112 H LYS 13 HN LYS 13 -9.818 1.785 7.659 113 HA LYS 13 HA LYS 13 -8.370 2.742 5.236 114 1HB LYS 13 HB2 LYS 13 -9.717 4.417 7.371 115 2HB LYS 13 HB1 LYS 13 -8.486 5.069 6.290 116 1HG LYS 13 HG2 LYS 13 -10.298 5.549 4.978 117 2HG LYS 13 HG1 LYS 13 -10.098 3.870 4.474 118 1HD LYS 13 HD2 LYS 13 -12.300 3.733 5.093 119 2HD LYS 13 HD1 LYS 13 -11.595 3.493 6.692 120 1HE LYS 13 HE2 LYS 13 -11.632 6.178 6.693 121 2HE LYS 13 HE1 LYS 13 -12.989 5.890 5.586 122 1HZ LYS 13 HZ1 LYS 13 -13.901 4.310 7.183 123 2HZ LYS 13 HZ2 LYS 13 -13.745 5.852 7.881 124 3HZ LYS 13 HZ3 LYS 13 -12.625 4.630 8.254 125 H GLY 14 HN GLY 14 -6.558 4.404 6.363 126 1HA GLY 14 HA2 GLY 14 -5.229 4.471 8.556 127 2HA GLY 14 HA1 GLY 14 -5.231 2.711 8.439 128 H GLU 15 HN GLU 15 -2.779 3.523 8.554 129 HA GLU 15 HA GLU 15 -1.791 3.715 5.725 130 1HB GLU 15 HB2 GLU 15 0.097 5.016 6.705 131 2HB GLU 15 HB1 GLU 15 -1.458 5.788 7.005 132 1HG GLU 15 HG2 GLU 15 -1.520 4.900 9.270 133 2HG GLU 15 HG1 GLU 15 -0.049 3.970 8.982 134 H THR 16 HN THR 16 0.483 2.776 5.515 135 HA THR 16 HA THR 16 1.349 0.847 7.555 136 HB THR 16 HB THR 16 -0.555 -0.307 6.516 137 HG1 THR 16 HG1 THR 16 1.877 -1.357 5.517 138 1HG2 THR 16 HG21 THR 16 0.939 0.290 3.948 139 2HG2 THR 16 HG22 THR 16 -0.708 0.760 4.377 140 3HG2 THR 16 HG23 THR 16 -0.329 -0.933 4.060 141 H THR 17 HN THR 17 3.481 0.148 7.177 142 HA THR 17 HA THR 17 4.772 1.016 4.615 143 HB THR 17 HB THR 17 6.720 1.682 6.107 144 HG1 THR 17 HG1 THR 17 4.729 1.538 8.117 145 1HG2 THR 17 HG21 THR 17 4.053 3.036 6.061 146 2HG2 THR 17 HG22 THR 17 5.578 3.542 5.336 147 3HG2 THR 17 HG23 THR 17 5.326 3.719 7.072 148 H THR 18 HN THR 18 6.734 -0.230 4.119 149 HA THR 18 HA THR 18 7.146 -2.687 5.732 150 HB THR 18 HB THR 18 5.773 -2.401 3.154 151 HG1 THR 18 HG1 THR 18 4.868 -3.662 4.645 152 1HG2 THR 18 HG21 THR 18 6.829 -4.253 1.966 153 2HG2 THR 18 HG22 THR 18 8.046 -4.412 3.234 154 3HG2 THR 18 HG23 THR 18 8.002 -2.961 2.230 155 H GLU 19 HN GLU 19 9.224 -3.752 5.129 156 HA GLU 19 HA GLU 19 11.197 -1.817 3.955 157 1HB GLU 19 HB2 GLU 19 11.259 -2.313 6.453 158 2HB GLU 19 HB1 GLU 19 11.676 -3.974 6.032 159 1HG GLU 19 HG2 GLU 19 13.478 -2.641 4.504 160 2HG GLU 19 HG1 GLU 19 13.317 -1.508 5.847 161 H ALA 20 HN ALA 20 11.844 -2.586 1.975 162 HA ALA 20 HA ALA 20 12.579 -5.454 1.711 163 1HB ALA 20 HB1 ALA 20 10.251 -4.050 0.517 164 2HB ALA 20 HB2 ALA 20 10.457 -5.761 0.898 165 3HB ALA 20 HB3 ALA 20 11.157 -5.096 -0.578 166 H VAL 21 HN VAL 21 13.261 -5.691 -0.813 167 HA VAL 21 HA VAL 21 15.602 -4.086 -1.202 168 HB VAL 21 HB VAL 21 15.194 -6.376 -2.090 169 1HG1 VAL 21 HG11 VAL 21 12.776 -5.870 -2.740 170 2HG1 VAL 21 HG12 VAL 21 13.713 -6.826 -3.889 171 3HG1 VAL 21 HG13 VAL 21 13.441 -5.109 -4.186 172 1HG2 VAL 21 HG21 VAL 21 15.809 -5.660 -4.600 173 2HG2 VAL 21 HG22 VAL 21 16.959 -5.505 -3.272 174 3HG2 VAL 21 HG23 VAL 21 16.035 -4.101 -3.807 175 H ASP 22 HN ASP 22 12.355 -3.932 -2.562 176 HA ASP 22 HA ASP 22 12.773 -1.126 -3.407 177 1HB ASP 22 HB2 ASP 22 12.119 -3.485 -5.197 178 2HB ASP 22 HB1 ASP 22 12.016 -1.798 -5.726 179 H ALA 23 HN ALA 23 10.671 -0.123 -3.992 180 HA ALA 23 HA ALA 23 8.518 -0.860 -2.255 181 1HB ALA 23 HB1 ALA 23 9.129 1.098 -4.367 182 2HB ALA 23 HB2 ALA 23 8.261 1.326 -2.848 183 3HB ALA 23 HB3 ALA 23 7.414 0.698 -4.262 184 H ALA 24 HN ALA 24 9.232 -1.684 -5.617 185 HA ALA 24 HA ALA 24 6.722 -2.690 -6.468 186 1HB ALA 24 HB1 ALA 24 9.237 -4.153 -7.154 187 2HB ALA 24 HB2 ALA 24 9.167 -2.434 -7.542 188 3HB ALA 24 HB3 ALA 24 7.974 -3.541 -8.222 189 H THR 25 HN THR 25 9.382 -4.421 -4.819 190 HA THR 25 HA THR 25 8.009 -6.938 -4.575 191 HB THR 25 HB THR 25 10.308 -5.604 -3.108 192 HG1 THR 25 HG1 THR 25 10.127 -7.642 -5.066 193 1HG2 THR 25 HG21 THR 25 9.241 -7.308 -1.638 194 2HG2 THR 25 HG22 THR 25 10.858 -7.793 -2.158 195 3HG2 THR 25 HG23 THR 25 9.436 -8.505 -2.922 196 H ALA 26 HN ALA 26 8.469 -4.229 -2.263 197 HA ALA 26 HA ALA 26 7.033 -5.353 -0.087 198 1HB ALA 26 HB1 ALA 26 7.536 -2.522 -1.037 199 2HB ALA 26 HB2 ALA 26 8.381 -3.404 0.235 200 3HB ALA 26 HB3 ALA 26 6.719 -2.861 0.493 201 H GLU 27 HN GLU 27 5.831 -2.882 -2.384 202 HA GLU 27 HA GLU 27 3.186 -2.644 -1.736 203 1HB GLU 27 HB2 GLU 27 4.706 -1.814 -3.742 204 2HB GLU 27 HB1 GLU 27 3.890 -3.109 -4.617 205 1HG GLU 27 HG2 GLU 27 2.168 -1.314 -2.986 206 2HG GLU 27 HG1 GLU 27 2.881 -0.616 -4.439 207 H LYS 28 HN LYS 28 4.555 -5.460 -3.449 208 HA LYS 28 HA LYS 28 2.057 -6.736 -4.118 209 1HB LYS 28 HB2 LYS 28 4.785 -7.901 -3.423 210 2HB LYS 28 HB1 LYS 28 3.506 -8.750 -4.288 211 1HG LYS 28 HG2 LYS 28 3.768 -7.466 -6.214 212 2HG LYS 28 HG1 LYS 28 4.477 -6.110 -5.336 213 1HD LYS 28 HD2 LYS 28 6.415 -6.957 -6.236 214 2HD LYS 28 HD1 LYS 28 6.340 -7.979 -4.800 215 1HE LYS 28 HE2 LYS 28 5.682 -9.852 -5.998 216 2HE LYS 28 HE1 LYS 28 4.875 -8.891 -7.254 217 1HZ LYS 28 HZ1 LYS 28 7.802 -9.132 -6.804 218 2HZ LYS 28 HZ2 LYS 28 7.090 -8.040 -7.895 219 3HZ LYS 28 HZ3 LYS 28 6.931 -9.714 -8.138 220 H VAL 29 HN VAL 29 4.246 -7.038 -1.318 221 HA VAL 29 HA VAL 29 2.611 -8.885 0.192 222 HB VAL 29 HB VAL 29 4.835 -6.904 0.767 223 1HG1 VAL 29 HG11 VAL 29 3.532 -8.729 2.816 224 2HG1 VAL 29 HG12 VAL 29 3.409 -6.966 2.799 225 3HG1 VAL 29 HG13 VAL 29 4.972 -7.742 3.076 226 1HG2 VAL 29 HG21 VAL 29 6.184 -8.846 0.994 227 2HG2 VAL 29 HG22 VAL 29 5.153 -9.169 -0.400 228 3HG2 VAL 29 HG23 VAL 29 4.779 -9.898 1.161 229 H LEU 30 HN LEU 30 2.754 -5.341 -0.076 230 HA LEU 30 HA LEU 30 0.992 -4.765 2.108 231 1HB LEU 30 HB2 LEU 30 1.864 -3.364 -0.425 232 2HB LEU 30 HB1 LEU 30 0.704 -2.607 0.656 233 HG LEU 30 HG LEU 30 3.271 -2.087 0.909 234 1HD1 LEU 30 HD11 LEU 30 1.696 -1.143 2.428 235 2HD1 LEU 30 HD12 LEU 30 2.972 -1.884 3.404 236 3HD1 LEU 30 HD13 LEU 30 1.416 -2.703 3.207 237 1HD2 LEU 30 HD21 LEU 30 4.265 -3.536 2.733 238 2HD2 LEU 30 HD22 LEU 30 4.228 -4.243 1.132 239 3HD2 LEU 30 HD23 LEU 30 3.053 -4.739 2.345 240 H LYS 31 HN LYS 31 0.486 -5.671 -1.253 241 HA LYS 31 HA LYS 31 -2.338 -5.091 -1.467 242 1HB LYS 31 HB2 LYS 31 -0.435 -5.898 -3.180 243 2HB LYS 31 HB1 LYS 31 -1.021 -7.481 -2.728 244 1HG LYS 31 HG2 LYS 31 -2.915 -5.298 -3.603 245 2HG LYS 31 HG1 LYS 31 -2.137 -6.367 -4.769 246 1HD LYS 31 HD2 LYS 31 -3.894 -7.240 -2.452 247 2HD LYS 31 HD1 LYS 31 -4.348 -7.249 -4.154 248 1HE LYS 31 HE2 LYS 31 -1.901 -8.658 -4.028 249 2HE LYS 31 HE1 LYS 31 -2.877 -9.259 -2.669 250 1HZ LYS 31 HZ1 LYS 31 -3.382 -10.402 -4.793 251 2HZ LYS 31 HZ2 LYS 31 -3.890 -8.919 -5.447 252 3HZ LYS 31 HZ3 LYS 31 -4.729 -9.606 -4.138 253 H GLN 32 HN GLN 32 -0.469 -7.946 -0.504 254 HA GLN 32 HA GLN 32 -2.561 -9.776 0.034 255 1HB GLN 32 HB2 GLN 32 0.240 -9.295 0.910 256 2HB GLN 32 HB1 GLN 32 -0.722 -10.413 1.879 257 1HG GLN 32 HG2 GLN 32 -1.373 -11.479 -0.402 258 2HG GLN 32 HG1 GLN 32 0.036 -10.620 -1.026 259 1HE2 GLN 32 HE21 GLN 32 2.133 -11.009 0.326 260 2HE2 GLN 32 HE22 GLN 32 2.368 -12.588 0.927 261 H TYR 33 HN TYR 33 -1.138 -7.238 2.075 262 HA TYR 33 HA TYR 33 -2.616 -7.767 4.492 263 1HB TYR 33 HB2 TYR 33 -0.620 -6.346 4.368 264 2HB TYR 33 HB1 TYR 33 -1.449 -5.229 3.283 265 HD1 TYR 33 HD1 TYR 33 -1.473 -6.666 6.697 266 HD2 TYR 33 HD2 TYR 33 -2.890 -3.532 4.131 267 HE1 TYR 33 HE1 TYR 33 -2.391 -5.483 8.659 268 HE2 TYR 33 HE2 TYR 33 -3.806 -2.337 6.098 269 HH TYR 33 HH TYR 33 -4.628 -3.183 8.546 270 H ILE 34 HN ILE 34 -3.257 -5.796 1.621 271 HA ILE 34 HA ILE 34 -5.736 -4.612 2.522 272 HB ILE 34 HB ILE 34 -4.612 -5.201 -0.235 273 1HG1 ILE 34 HG12 ILE 34 -3.248 -3.804 1.483 274 2HG1 ILE 34 HG11 ILE 34 -3.475 -3.143 -0.128 275 1HG2 ILE 34 HG21 ILE 34 -6.659 -4.526 -0.921 276 2HG2 ILE 34 HG22 ILE 34 -6.105 -2.913 -0.473 277 3HG2 ILE 34 HG23 ILE 34 -7.072 -3.859 0.659 278 1HD1 ILE 34 HD11 ILE 34 -5.336 -1.756 0.708 279 2HD1 ILE 34 HD12 ILE 34 -3.855 -1.431 1.609 280 3HD1 ILE 34 HD13 ILE 34 -5.119 -2.435 2.323 281 H ASN 35 HN ASN 35 -4.870 -7.696 1.087 282 HA ASN 35 HA ASN 35 -7.362 -8.531 0.005 283 1HB ASN 35 HB2 ASN 35 -5.059 -9.595 -0.161 284 2HB ASN 35 HB1 ASN 35 -5.321 -10.235 1.461 285 1HD2 ASN 35 HD21 ASN 35 -6.072 -10.689 -1.905 286 2HD2 ASN 35 HD22 ASN 35 -7.110 -12.017 -1.707 287 H ASP 36 HN ASP 36 -6.197 -8.425 3.331 288 HA ASP 36 HA ASP 36 -8.259 -10.095 4.492 289 1HB ASP 36 HB2 ASP 36 -6.283 -8.034 5.472 290 2HB ASP 36 HB1 ASP 36 -7.445 -8.765 6.580 291 H ASN 37 HN ASN 37 -7.871 -6.563 4.125 292 HA ASN 37 HA ASN 37 -10.459 -5.964 5.353 293 1HB ASN 37 HB2 ASN 37 -8.466 -4.345 3.730 294 2HB ASN 37 HB1 ASN 37 -9.848 -3.656 4.590 295 1HD2 ASN 37 HD21 ASN 37 -6.775 -3.477 5.040 296 2HD2 ASN 37 HD22 ASN 37 -6.597 -3.846 6.696 297 H GLY 38 HN GLY 38 -9.202 -6.420 2.089 298 1HA GLY 38 HA2 GLY 38 -10.437 -6.905 0.125 299 2HA GLY 38 HA1 GLY 38 -11.926 -6.647 1.035 300 H ILE 39 HN ILE 39 -9.115 -4.524 0.395 301 HA ILE 39 HA ILE 39 -11.013 -2.563 -0.854 302 HB ILE 39 HB ILE 39 -8.726 -2.055 1.082 303 1HG1 ILE 39 HG12 ILE 39 -10.704 -3.046 2.177 304 2HG1 ILE 39 HG11 ILE 39 -10.519 -1.352 2.640 305 1HG2 ILE 39 HG21 ILE 39 -9.536 0.283 1.053 306 2HG2 ILE 39 HG22 ILE 39 -10.723 -0.149 -0.178 307 3HG2 ILE 39 HG23 ILE 39 -9.000 -0.231 -0.546 308 1HD1 ILE 39 HD11 ILE 39 -12.100 -1.196 0.368 309 2HD1 ILE 39 HD12 ILE 39 -12.689 -1.121 2.029 310 3HD1 ILE 39 HD13 ILE 39 -12.694 -2.656 1.161 311 H ASP 40 HN ASP 40 -10.095 -3.646 -2.868 312 HA ASP 40 HA ASP 40 -7.344 -2.644 -3.524 313 1HB ASP 40 HB2 ASP 40 -7.969 -5.152 -3.485 314 2HB ASP 40 HB1 ASP 40 -8.906 -4.810 -4.944 315 H GLY 41 HN GLY 41 -7.219 -1.098 -5.112 316 1HA GLY 41 HA2 GLY 41 -9.178 -0.972 -7.282 317 2HA GLY 41 HA1 GLY 41 -9.281 0.384 -6.155 318 H GLU 42 HN GLU 42 -7.802 2.034 -6.347 319 HA GLU 42 HA GLU 42 -5.662 1.696 -8.423 320 1HB GLU 42 HB2 GLU 42 -7.584 3.855 -7.649 321 2HB GLU 42 HB1 GLU 42 -6.019 4.344 -8.301 322 1HG GLU 42 HG2 GLU 42 -6.403 3.300 -10.363 323 2HG GLU 42 HG1 GLU 42 -7.641 2.232 -9.700 324 H TRP 43 HN TRP 43 -3.639 1.647 -7.550 325 HA TRP 43 HA TRP 43 -3.180 2.861 -4.867 326 1HB TRP 43 HB2 TRP 43 -1.703 0.875 -6.612 327 2HB TRP 43 HB1 TRP 43 -1.002 1.541 -5.149 328 HD1 TRP 43 HD1 TRP 43 -4.724 0.570 -5.408 329 HE1 TRP 43 HE1 TRP 43 -5.144 -1.381 -3.791 330 HE3 TRP 43 HE3 TRP 43 0.036 -0.309 -3.890 331 HZ2 TRP 43 HZ2 TRP 43 -3.651 -3.067 -2.034 332 HZ3 TRP 43 HZ3 TRP 43 0.525 -2.085 -2.220 333 HH2 TRP 43 HH2 TRP 43 -1.309 -3.457 -1.292 334 H THR 44 HN THR 44 -3.087 5.111 -5.727 335 HA THR 44 HA THR 44 -1.243 5.926 -7.775 336 HB THR 44 HB THR 44 -1.603 8.161 -6.770 337 HG1 THR 44 HG1 THR 44 -1.933 8.209 -4.714 338 1HG2 THR 44 HG21 THR 44 -4.259 7.818 -6.579 339 2HG2 THR 44 HG22 THR 44 -3.836 6.258 -7.286 340 3HG2 THR 44 HG23 THR 44 -3.413 7.750 -8.125 341 H TYR 45 HN TYR 45 0.951 6.142 -7.669 342 HA TYR 45 HA TYR 45 2.308 5.634 -5.064 343 1HB TYR 45 HB2 TYR 45 2.858 4.271 -7.048 344 2HB TYR 45 HB1 TYR 45 3.279 5.729 -7.946 345 HD1 TYR 45 HD1 TYR 45 4.042 4.468 -4.486 346 HD2 TYR 45 HD2 TYR 45 5.576 5.940 -8.218 347 HE1 TYR 45 HE1 TYR 45 6.348 4.372 -3.576 348 HE2 TYR 45 HE2 TYR 45 7.880 5.845 -7.309 349 HH TYR 45 HH TYR 45 8.627 4.246 -4.359 350 H ASP 46 HN ASP 46 4.151 7.072 -4.471 351 HA ASP 46 HA ASP 46 4.050 9.791 -5.733 352 1HB ASP 46 HB2 ASP 46 4.188 9.196 -2.755 353 2HB ASP 46 HB1 ASP 46 4.055 10.783 -3.505 354 H ASP 47 HN ASP 47 6.075 10.441 -6.304 355 HA ASP 47 HA ASP 47 8.431 8.886 -5.607 356 1HB ASP 47 HB2 ASP 47 9.552 10.562 -7.021 357 2HB ASP 47 HB1 ASP 47 8.056 10.024 -7.778 358 H ALA 48 HN ALA 48 6.743 11.268 -3.882 359 HA ALA 48 HA ALA 48 8.715 12.954 -2.766 360 1HB ALA 48 HB1 ALA 48 6.077 11.793 -1.940 361 2HB ALA 48 HB2 ALA 48 6.523 13.482 -2.202 362 3HB ALA 48 HB3 ALA 48 7.017 12.660 -0.722 363 H THR 49 HN THR 49 7.340 10.213 -0.951 364 HA THR 49 HA THR 49 10.096 9.523 0.015 365 HB THR 49 HB THR 49 8.843 10.820 1.691 366 HG1 THR 49 HG1 THR 49 9.577 9.507 3.132 367 1HG2 THR 49 HG21 THR 49 6.636 9.299 0.666 368 2HG2 THR 49 HG22 THR 49 6.605 10.642 1.809 369 3HG2 THR 49 HG23 THR 49 6.778 8.989 2.397 370 H LYS 50 HN LYS 50 8.553 8.313 -2.144 371 HA LYS 50 HA LYS 50 7.917 6.192 -2.922 372 1HB LYS 50 HB2 LYS 50 9.402 5.371 -0.405 373 2HB LYS 50 HB1 LYS 50 9.051 4.321 -1.777 374 1HG LYS 50 HG2 LYS 50 10.285 6.095 -3.201 375 2HG LYS 50 HG1 LYS 50 10.909 6.696 -1.664 376 1HD LYS 50 HD2 LYS 50 12.559 5.162 -2.056 377 2HD LYS 50 HD1 LYS 50 11.388 4.047 -1.351 378 1HE LYS 50 HE2 LYS 50 12.030 2.998 -3.391 379 2HE LYS 50 HE1 LYS 50 10.495 3.795 -3.792 380 1HZ LYS 50 HZ1 LYS 50 13.234 4.845 -4.255 381 2HZ LYS 50 HZ2 LYS 50 11.825 5.776 -4.436 382 3HZ LYS 50 HZ3 LYS 50 12.090 4.427 -5.434 383 H THR 51 HN THR 51 5.906 7.534 -1.439 384 HA THR 51 HA THR 51 4.723 5.546 0.417 385 HB THR 51 HB THR 51 3.850 8.282 -0.590 386 HG1 THR 51 HG1 THR 51 4.579 8.950 1.410 387 1HG2 THR 51 HG21 THR 51 1.843 7.246 0.091 388 2HG2 THR 51 HG22 THR 51 2.375 8.103 1.538 389 3HG2 THR 51 HG23 THR 51 2.636 6.364 1.396 390 H TRP 52 HN TRP 52 2.328 4.995 -0.020 391 HA TRP 52 HA TRP 52 1.764 4.756 -2.954 392 1HB TRP 52 HB2 TRP 52 1.866 2.674 -0.777 393 2HB TRP 52 HB1 TRP 52 0.931 2.417 -2.241 394 HD1 TRP 52 HD1 TRP 52 4.483 2.568 -0.957 395 HE1 TRP 52 HE1 TRP 52 6.085 1.853 -2.854 396 HE3 TRP 52 HE3 TRP 52 1.195 2.397 -4.803 397 HZ2 TRP 52 HZ2 TRP 52 5.959 1.276 -5.667 398 HZ3 TRP 52 HZ3 TRP 52 1.932 1.762 -7.094 399 HH2 TRP 52 HH2 TRP 52 4.311 1.199 -7.526 400 H THR 53 HN THR 53 -0.592 3.487 -2.928 401 HA THR 53 HA THR 53 -2.407 4.581 -0.880 402 HB THR 53 HB THR 53 -2.923 5.298 -3.761 403 HG1 THR 53 HG1 THR 53 -0.974 6.227 -3.479 404 1HG2 THR 53 HG21 THR 53 -3.894 6.090 -1.062 405 2HG2 THR 53 HG22 THR 53 -4.790 5.897 -2.569 406 3HG2 THR 53 HG23 THR 53 -3.832 7.352 -2.293 407 H VAL 54 HN VAL 54 -4.797 4.006 -1.727 408 HA VAL 54 HA VAL 54 -5.178 1.817 -3.550 409 HB VAL 54 HB VAL 54 -3.861 0.504 -2.020 410 1HG1 VAL 54 HG11 VAL 54 -5.391 2.011 0.056 411 2HG1 VAL 54 HG12 VAL 54 -3.661 1.691 -0.054 412 3HG1 VAL 54 HG13 VAL 54 -4.764 0.412 0.451 413 1HG2 VAL 54 HG21 VAL 54 -6.541 -0.194 -0.898 414 2HG2 VAL 54 HG22 VAL 54 -5.301 -1.248 -1.581 415 3HG2 VAL 54 HG23 VAL 54 -6.337 -0.292 -2.647 416 H THR 55 HN THR 55 -6.956 3.305 -3.967 417 HA THR 55 HA THR 55 -9.026 3.615 -1.864 418 HB THR 55 HB THR 55 -8.982 4.606 -4.728 419 HG1 THR 55 HG1 THR 55 -7.406 5.826 -4.130 420 1HG2 THR 55 HG21 THR 55 -10.541 6.238 -3.972 421 2HG2 THR 55 HG22 THR 55 -10.222 5.865 -2.278 422 3HG2 THR 55 HG23 THR 55 -11.096 4.711 -3.285 423 H GLU 56 HN GLU 56 -10.847 2.355 -1.826 424 HA GLU 56 HA GLU 56 -11.182 0.043 -3.471 425 1HB GLU 56 HB2 GLU 56 -12.164 0.855 -1.136 426 2HB GLU 56 HB1 GLU 56 -13.500 1.409 -2.145 427 1HG GLU 56 HG2 GLU 56 -12.390 -1.411 -2.206 428 2HG GLU 56 HG1 GLU 56 -13.807 -0.927 -1.272 Start of MODEL 24 1 1H THR 1 HT1 THR 1 15.338 3.111 2.413 2 2H THR 1 HT2 THR 1 15.697 3.109 4.073 3 3H THR 1 HT3 THR 1 16.153 4.427 3.104 4 HA THR 1 HA THR 1 14.153 4.865 4.502 5 HB THR 1 HB THR 1 14.733 6.114 2.463 6 HG1 THR 1 HG1 THR 1 12.741 6.905 2.150 7 1HG2 THR 1 HG21 THR 1 14.949 4.342 0.850 8 2HG2 THR 1 HG22 THR 1 13.643 5.389 0.295 9 3HG2 THR 1 HG23 THR 1 13.270 3.854 1.078 10 H THR 2 HN THR 2 12.013 4.271 4.987 11 HA THR 2 HA THR 2 11.199 1.548 4.150 12 HB THR 2 HB THR 2 9.845 3.458 6.070 13 HG1 THR 2 HG1 THR 2 11.403 3.131 7.431 14 1HG2 THR 2 HG21 THR 2 8.980 1.468 7.078 15 2HG2 THR 2 HG22 THR 2 10.067 0.443 6.140 16 3HG2 THR 2 HG23 THR 2 8.741 1.286 5.340 17 H PHE 3 HN PHE 3 9.327 1.131 2.949 18 HA PHE 3 HA PHE 3 8.266 3.299 1.298 19 1HB PHE 3 HB2 PHE 3 7.540 0.366 1.624 20 2HB PHE 3 HB1 PHE 3 6.957 1.408 0.325 21 HD1 PHE 3 HD1 PHE 3 9.138 2.940 -0.607 22 HD2 PHE 3 HD2 PHE 3 9.204 -1.093 0.884 23 HE1 PHE 3 HE1 PHE 3 11.212 2.496 -1.892 24 HE2 PHE 3 HE2 PHE 3 11.277 -1.532 -0.403 25 HZ PHE 3 HZ PHE 3 12.281 0.262 -1.789 26 H LYS 4 HN LYS 4 5.736 3.350 1.063 27 HA LYS 4 HA LYS 4 4.340 2.998 3.673 28 1HB LYS 4 HB2 LYS 4 5.476 5.268 3.482 29 2HB LYS 4 HB1 LYS 4 4.389 5.610 2.140 30 1HG LYS 4 HG2 LYS 4 2.442 5.272 3.586 31 2HG LYS 4 HG1 LYS 4 3.496 4.859 4.937 32 1HD LYS 4 HD2 LYS 4 4.067 7.032 5.331 33 2HD LYS 4 HD1 LYS 4 4.102 7.439 3.615 34 1HE LYS 4 HE2 LYS 4 1.969 8.224 3.668 35 2HE LYS 4 HE1 LYS 4 1.392 6.804 4.563 36 1HZ LYS 4 HZ1 LYS 4 1.338 8.943 5.842 37 2HZ LYS 4 HZ2 LYS 4 3.036 8.946 5.794 38 3HZ LYS 4 HZ3 LYS 4 2.209 7.691 6.585 39 H LEU 5 HN LEU 5 2.003 3.158 3.448 40 HA LEU 5 HA LEU 5 0.809 3.427 0.772 41 1HB LEU 5 HB2 LEU 5 1.802 0.992 1.339 42 2HB LEU 5 HB1 LEU 5 0.256 0.838 2.166 43 HG LEU 5 HG LEU 5 -0.080 2.059 -0.464 44 1HD1 LEU 5 HD11 LEU 5 1.990 0.458 -0.708 45 2HD1 LEU 5 HD12 LEU 5 0.688 0.388 -1.902 46 3HD1 LEU 5 HD13 LEU 5 0.773 -0.821 -0.610 47 1HD2 LEU 5 HD21 LEU 5 -1.182 -0.274 1.086 48 2HD2 LEU 5 HD22 LEU 5 -1.587 -0.075 -0.619 49 3HD2 LEU 5 HD23 LEU 5 -2.007 1.188 0.540 50 H ILE 6 HN ILE 6 -1.253 4.225 1.036 51 HA ILE 6 HA ILE 6 -2.359 4.300 3.809 52 HB ILE 6 HB ILE 6 -2.868 5.917 1.297 53 1HG1 ILE 6 HG12 ILE 6 -0.646 6.262 2.333 54 2HG1 ILE 6 HG11 ILE 6 -1.659 7.695 2.499 55 1HG2 ILE 6 HG21 ILE 6 -4.240 7.381 2.645 56 2HG2 ILE 6 HG22 ILE 6 -3.856 6.473 4.108 57 3HG2 ILE 6 HG23 ILE 6 -4.851 5.739 2.850 58 1HD1 ILE 6 HD11 ILE 6 -0.498 6.004 4.569 59 2HD1 ILE 6 HD12 ILE 6 -2.241 6.174 4.774 60 3HD1 ILE 6 HD13 ILE 6 -1.216 7.608 4.712 61 H ILE 7 HN ILE 7 -4.321 3.349 4.258 62 HA ILE 7 HA ILE 7 -5.534 1.602 2.221 63 HB ILE 7 HB ILE 7 -6.203 2.178 5.127 64 1HG1 ILE 7 HG12 ILE 7 -3.920 1.281 4.827 65 2HG1 ILE 7 HG11 ILE 7 -4.968 0.087 5.589 66 1HG2 ILE 7 HG21 ILE 7 -7.432 0.055 5.048 67 2HG2 ILE 7 HG22 ILE 7 -7.012 -0.141 3.346 68 3HG2 ILE 7 HG23 ILE 7 -8.075 1.175 3.846 69 1HD1 ILE 7 HD11 ILE 7 -4.189 0.185 2.658 70 2HD1 ILE 7 HD12 ILE 7 -5.338 -0.960 3.351 71 3HD1 ILE 7 HD13 ILE 7 -3.646 -0.999 3.848 72 H ASN 8 HN ASN 8 -7.049 2.456 0.860 73 HA ASN 8 HA ASN 8 -8.842 4.628 1.893 74 1HB ASN 8 HB2 ASN 8 -7.628 4.004 -0.807 75 2HB ASN 8 HB1 ASN 8 -8.987 5.117 -0.640 76 1HD2 ASN 8 HD21 ASN 8 -7.655 6.974 -1.262 77 2HD2 ASN 8 HD22 ASN 8 -6.478 7.607 -0.201 78 H GLY 9 HN GLY 9 -9.635 2.102 2.528 79 1HA GLY 9 HA2 GLY 9 -11.311 0.947 0.418 80 2HA GLY 9 HA1 GLY 9 -11.203 0.378 2.088 81 H LYS 10 HN LYS 10 -13.670 0.689 0.733 82 HA LYS 10 HA LYS 10 -15.048 3.114 1.122 83 1HB LYS 10 HB2 LYS 10 -15.967 0.231 1.304 84 2HB LYS 10 HB1 LYS 10 -17.053 1.610 1.124 85 1HG LYS 10 HG2 LYS 10 -15.628 2.220 -0.944 86 2HG LYS 10 HG1 LYS 10 -15.002 0.574 -0.834 87 1HD LYS 10 HD2 LYS 10 -17.046 -0.387 -1.361 88 2HD LYS 10 HD1 LYS 10 -17.967 0.981 -0.737 89 1HE LYS 10 HE2 LYS 10 -16.811 2.298 -2.713 90 2HE LYS 10 HE1 LYS 10 -16.619 0.675 -3.405 91 1HZ LYS 10 HZ1 LYS 10 -19.177 1.670 -2.280 92 2HZ LYS 10 HZ2 LYS 10 -18.927 0.260 -3.194 93 3HZ LYS 10 HZ3 LYS 10 -18.789 1.787 -3.927 94 H THR 11 HN THR 11 -14.166 0.621 3.440 95 HA THR 11 HA THR 11 -15.443 2.251 5.613 96 HB THR 11 HB THR 11 -15.180 -0.765 5.546 97 HG1 THR 11 HG1 THR 11 -17.342 -0.750 4.864 98 1HG2 THR 11 HG21 THR 11 -17.311 -0.235 7.089 99 2HG2 THR 11 HG22 THR 11 -16.425 1.272 7.324 100 3HG2 THR 11 HG23 THR 11 -15.670 -0.268 7.734 101 H LEU 12 HN LEU 12 -12.925 -0.149 4.802 102 HA LEU 12 HA LEU 12 -11.470 0.300 7.315 103 1HB LEU 12 HB2 LEU 12 -10.896 -1.217 4.749 104 2HB LEU 12 HB1 LEU 12 -9.860 -1.274 6.176 105 HG LEU 12 HG LEU 12 -12.780 -1.822 6.529 106 1HD1 LEU 12 HD11 LEU 12 -10.883 -4.024 5.731 107 2HD1 LEU 12 HD12 LEU 12 -11.804 -3.144 4.512 108 3HD1 LEU 12 HD13 LEU 12 -12.646 -4.048 5.770 109 1HD2 LEU 12 HD21 LEU 12 -10.747 -1.727 8.267 110 2HD2 LEU 12 HD22 LEU 12 -10.547 -3.398 7.740 111 3HD2 LEU 12 HD23 LEU 12 -12.071 -2.877 8.460 112 H LYS 13 HN LYS 13 -9.584 1.534 7.544 113 HA LYS 13 HA LYS 13 -8.280 2.747 5.190 114 1HB LYS 13 HB2 LYS 13 -10.089 4.175 7.117 115 2HB LYS 13 HB1 LYS 13 -8.729 5.047 6.411 116 1HG LYS 13 HG2 LYS 13 -9.633 4.016 4.155 117 2HG LYS 13 HG1 LYS 13 -11.143 3.893 5.059 118 1HD LYS 13 HD2 LYS 13 -10.585 6.393 5.717 119 2HD LYS 13 HD1 LYS 13 -9.620 6.341 4.241 120 1HE LYS 13 HE2 LYS 13 -11.708 7.037 3.416 121 2HE LYS 13 HE1 LYS 13 -11.824 5.277 3.212 122 1HZ LYS 13 HZ1 LYS 13 -13.753 6.054 4.398 123 2HZ LYS 13 HZ2 LYS 13 -12.785 6.857 5.540 124 3HZ LYS 13 HZ3 LYS 13 -12.782 5.160 5.463 125 H GLY 14 HN GLY 14 -6.506 4.345 6.069 126 1HA GLY 14 HA2 GLY 14 -5.323 4.773 8.357 127 2HA GLY 14 HA1 GLY 14 -5.195 3.015 8.386 128 H GLU 15 HN GLU 15 -2.802 3.759 8.475 129 HA GLU 15 HA GLU 15 -1.760 3.935 5.666 130 1HB GLU 15 HB2 GLU 15 0.047 5.363 6.620 131 2HB GLU 15 HB1 GLU 15 -1.547 6.078 6.852 132 1HG GLU 15 HG2 GLU 15 -1.619 5.275 9.155 133 2HG GLU 15 HG1 GLU 15 -0.087 4.428 8.937 134 H THR 16 HN THR 16 0.420 2.954 5.420 135 HA THR 16 HA THR 16 1.392 1.214 7.603 136 HB THR 16 HB THR 16 -0.452 -0.063 6.602 137 HG1 THR 16 HG1 THR 16 0.779 -1.880 6.002 138 1HG2 THR 16 HG21 THR 16 -0.051 -0.818 4.152 139 2HG2 THR 16 HG22 THR 16 1.001 0.594 4.038 140 3HG2 THR 16 HG23 THR 16 -0.709 0.795 4.422 141 H THR 17 HN THR 17 3.528 0.436 7.201 142 HA THR 17 HA THR 17 4.824 1.310 4.647 143 HB THR 17 HB THR 17 6.738 2.085 6.107 144 HG1 THR 17 HG1 THR 17 6.466 1.227 8.038 145 1HG2 THR 17 HG21 THR 17 5.491 4.146 6.944 146 2HG2 THR 17 HG22 THR 17 4.016 3.377 6.360 147 3HG2 THR 17 HG23 THR 17 5.305 3.783 5.228 148 H THR 18 HN THR 18 6.809 0.086 4.192 149 HA THR 18 HA THR 18 7.265 -2.307 5.891 150 HB THR 18 HB THR 18 5.912 -2.147 3.294 151 HG1 THR 18 HG1 THR 18 6.518 -4.331 5.001 152 1HG2 THR 18 HG21 THR 18 7.038 -4.007 2.178 153 2HG2 THR 18 HG22 THR 18 8.255 -4.071 3.454 154 3HG2 THR 18 HG23 THR 18 8.159 -2.661 2.397 155 H GLU 19 HN GLU 19 9.349 -3.414 5.174 156 HA GLU 19 HA GLU 19 11.306 -1.423 4.067 157 1HB GLU 19 HB2 GLU 19 11.458 -1.815 6.521 158 2HB GLU 19 HB1 GLU 19 11.673 -3.539 6.216 159 1HG GLU 19 HG2 GLU 19 13.605 -2.551 4.599 160 2HG GLU 19 HG1 GLU 19 13.586 -1.297 5.839 161 H ALA 20 HN ALA 20 11.978 -2.170 2.089 162 HA ALA 20 HA ALA 20 12.819 -5.003 1.820 163 1HB ALA 20 HB1 ALA 20 10.500 -3.660 0.452 164 2HB ALA 20 HB2 ALA 20 10.578 -5.267 1.177 165 3HB ALA 20 HB3 ALA 20 11.366 -4.959 -0.370 166 H VAL 21 HN VAL 21 13.670 -5.295 -0.553 167 HA VAL 21 HA VAL 21 15.818 -3.500 -1.036 168 HB VAL 21 HB VAL 21 15.991 -4.748 -3.176 169 1HG1 VAL 21 HG11 VAL 21 16.451 -5.725 -0.770 170 2HG1 VAL 21 HG12 VAL 21 16.511 -6.783 -2.179 171 3HG1 VAL 21 HG13 VAL 21 15.077 -6.763 -1.152 172 1HG2 VAL 21 HG21 VAL 21 13.169 -5.532 -2.440 173 2HG2 VAL 21 HG22 VAL 21 14.162 -6.596 -3.433 174 3HG2 VAL 21 HG23 VAL 21 13.791 -4.965 -3.989 175 H ASP 22 HN ASP 22 12.574 -3.641 -2.496 176 HA ASP 22 HA ASP 22 12.846 -0.817 -3.362 177 1HB ASP 22 HB2 ASP 22 12.222 -3.148 -5.209 178 2HB ASP 22 HB1 ASP 22 12.180 -1.448 -5.673 179 H ALA 23 HN ALA 23 10.694 0.066 -3.996 180 HA ALA 23 HA ALA 23 8.576 -0.732 -2.247 181 1HB ALA 23 HB1 ALA 23 7.317 0.718 -4.150 182 2HB ALA 23 HB2 ALA 23 8.988 1.103 -4.562 183 3HB ALA 23 HB3 ALA 23 8.374 1.459 -2.948 184 H ALA 24 HN ALA 24 9.435 -1.747 -5.500 185 HA ALA 24 HA ALA 24 6.954 -2.887 -6.341 186 1HB ALA 24 HB1 ALA 24 9.737 -3.962 -6.882 187 2HB ALA 24 HB2 ALA 24 9.127 -2.488 -7.634 188 3HB ALA 24 HB3 ALA 24 8.333 -4.032 -7.947 189 H THR 25 HN THR 25 9.694 -4.317 -4.549 190 HA THR 25 HA THR 25 8.507 -6.925 -4.212 191 HB THR 25 HB THR 25 10.687 -5.358 -2.794 192 HG1 THR 25 HG1 THR 25 11.687 -6.002 -4.499 193 1HG2 THR 25 HG21 THR 25 11.375 -7.451 -1.723 194 2HG2 THR 25 HG22 THR 25 10.017 -8.299 -2.462 195 3HG2 THR 25 HG23 THR 25 9.722 -7.053 -1.245 196 H ALA 26 HN ALA 26 8.757 -4.088 -2.025 197 HA ALA 26 HA ALA 26 7.349 -5.199 0.177 198 1HB ALA 26 HB1 ALA 26 8.574 -3.156 0.426 199 2HB ALA 26 HB2 ALA 26 6.879 -2.711 0.645 200 3HB ALA 26 HB3 ALA 26 7.691 -2.384 -0.891 201 H GLU 27 HN GLU 27 6.073 -2.963 -2.313 202 HA GLU 27 HA GLU 27 3.401 -2.841 -1.706 203 1HB GLU 27 HB2 GLU 27 4.596 -1.762 -3.606 204 2HB GLU 27 HB1 GLU 27 4.582 -3.303 -4.464 205 1HG GLU 27 HG2 GLU 27 1.973 -3.163 -3.942 206 2HG GLU 27 HG1 GLU 27 2.321 -1.435 -3.884 207 H LYS 28 HN LYS 28 4.987 -5.657 -3.213 208 HA LYS 28 HA LYS 28 2.595 -7.121 -3.880 209 1HB LYS 28 HB2 LYS 28 5.372 -8.052 -3.044 210 2HB LYS 28 HB1 LYS 28 4.172 -9.054 -3.860 211 1HG LYS 28 HG2 LYS 28 4.377 -7.901 -5.873 212 2HG LYS 28 HG1 LYS 28 4.969 -6.436 -5.089 213 1HD LYS 28 HD2 LYS 28 6.982 -7.196 -5.893 214 2HD LYS 28 HD1 LYS 28 6.951 -8.122 -4.391 215 1HE LYS 28 HE2 LYS 28 6.131 -10.087 -5.516 216 2HE LYS 28 HE1 LYS 28 5.825 -9.174 -7.007 217 1HZ LYS 28 HZ1 LYS 28 8.129 -8.738 -7.262 218 2HZ LYS 28 HZ2 LYS 28 7.986 -10.406 -6.972 219 3HZ LYS 28 HZ3 LYS 28 8.497 -9.365 -5.729 220 H VAL 29 HN VAL 29 4.666 -7.032 -0.989 221 HA VAL 29 HA VAL 29 3.097 -8.905 0.582 222 HB VAL 29 HB VAL 29 5.196 -6.776 1.100 223 1HG1 VAL 29 HG11 VAL 29 5.313 -7.490 3.450 224 2HG1 VAL 29 HG12 VAL 29 3.943 -8.573 3.203 225 3HG1 VAL 29 HG13 VAL 29 3.716 -6.824 3.094 226 1HG2 VAL 29 HG21 VAL 29 6.654 -8.609 1.423 227 2HG2 VAL 29 HG22 VAL 29 5.647 -9.096 0.060 228 3HG2 VAL 29 HG23 VAL 29 5.320 -9.736 1.670 229 H LEU 30 HN LEU 30 3.106 -5.364 0.151 230 HA LEU 30 HA LEU 30 1.218 -4.781 2.229 231 1HB LEU 30 HB2 LEU 30 2.123 -3.432 -0.324 232 2HB LEU 30 HB1 LEU 30 0.909 -2.689 0.702 233 HG LEU 30 HG LEU 30 3.445 -2.054 0.995 234 1HD1 LEU 30 HD11 LEU 30 1.780 -1.133 2.441 235 2HD1 LEU 30 HD12 LEU 30 3.082 -1.758 3.463 236 3HD1 LEU 30 HD13 LEU 30 1.578 -2.672 3.283 237 1HD2 LEU 30 HD21 LEU 30 3.295 -4.648 2.541 238 2HD2 LEU 30 HD22 LEU 30 4.471 -3.391 2.869 239 3HD2 LEU 30 HD23 LEU 30 4.458 -4.180 1.305 240 H LYS 31 HN LYS 31 0.924 -5.816 -1.123 241 HA LYS 31 HA LYS 31 -1.897 -5.366 -1.515 242 1HB LYS 31 HB2 LYS 31 0.119 -6.178 -3.079 243 2HB LYS 31 HB1 LYS 31 -0.425 -7.762 -2.580 244 1HG LYS 31 HG2 LYS 31 -2.359 -5.711 -3.660 245 2HG LYS 31 HG1 LYS 31 -1.469 -6.791 -4.732 246 1HD LYS 31 HD2 LYS 31 -3.316 -7.645 -2.478 247 2HD LYS 31 HD1 LYS 31 -3.669 -7.750 -4.201 248 1HE LYS 31 HE2 LYS 31 -1.171 -9.035 -3.867 249 2HE LYS 31 HE1 LYS 31 -2.202 -9.623 -2.542 250 1HZ LYS 31 HZ1 LYS 31 -3.977 -10.007 -4.166 251 2HZ LYS 31 HZ2 LYS 31 -2.596 -10.923 -4.540 252 3HZ LYS 31 HZ3 LYS 31 -2.950 -9.515 -5.422 253 H GLN 32 HN GLN 32 0.011 -8.097 -0.302 254 HA GLN 32 HA GLN 32 -2.049 -9.974 0.206 255 1HB GLN 32 HB2 GLN 32 0.689 -9.371 1.168 256 2HB GLN 32 HB1 GLN 32 -0.286 -10.423 2.196 257 1HG GLN 32 HG2 GLN 32 -0.744 -11.890 0.260 258 2HG GLN 32 HG1 GLN 32 0.258 -10.850 -0.753 259 1HE2 GLN 32 HE21 GLN 32 0.388 -13.025 2.090 260 2HE2 GLN 32 HE22 GLN 32 2.058 -13.351 1.960 261 H TYR 33 HN TYR 33 -0.833 -7.280 2.186 262 HA TYR 33 HA TYR 33 -2.454 -7.750 4.531 263 1HB TYR 33 HB2 TYR 33 -0.494 -6.285 4.502 264 2HB TYR 33 HB1 TYR 33 -1.246 -5.248 3.290 265 HD1 TYR 33 HD1 TYR 33 -1.539 -6.493 6.764 266 HD2 TYR 33 HD2 TYR 33 -2.784 -3.540 3.911 267 HE1 TYR 33 HE1 TYR 33 -2.644 -5.225 8.569 268 HE2 TYR 33 HE2 TYR 33 -3.887 -2.258 5.722 269 HH TYR 33 HH TYR 33 -3.303 -2.773 8.962 270 H ILE 34 HN ILE 34 -2.932 -5.885 1.549 271 HA ILE 34 HA ILE 34 -5.494 -4.741 2.207 272 HB ILE 34 HB ILE 34 -4.186 -5.479 -0.431 273 1HG1 ILE 34 HG12 ILE 34 -2.972 -3.923 1.253 274 2HG1 ILE 34 HG11 ILE 34 -3.139 -3.364 -0.405 275 1HG2 ILE 34 HG21 ILE 34 -6.248 -4.962 -1.240 276 2HG2 ILE 34 HG22 ILE 34 -5.714 -3.301 -0.984 277 3HG2 ILE 34 HG23 ILE 34 -6.720 -4.099 0.224 278 1HD1 ILE 34 HD11 ILE 34 -4.683 -1.741 0.162 279 2HD1 ILE 34 HD12 ILE 34 -3.735 -1.791 1.649 280 3HD1 ILE 34 HD13 ILE 34 -5.278 -2.642 1.557 281 H ASN 35 HN ASN 35 -4.467 -7.874 0.993 282 HA ASN 35 HA ASN 35 -6.891 -8.846 -0.133 283 1HB ASN 35 HB2 ASN 35 -4.529 -9.819 -0.144 284 2HB ASN 35 HB1 ASN 35 -4.872 -10.431 1.473 285 1HD2 ASN 35 HD21 ASN 35 -4.496 -11.913 -1.179 286 2HD2 ASN 35 HD22 ASN 35 -5.887 -12.874 -1.326 287 H ASP 36 HN ASP 36 -5.776 -8.700 3.231 288 HA ASP 36 HA ASP 36 -7.947 -10.286 4.335 289 1HB ASP 36 HB2 ASP 36 -5.568 -9.644 5.238 290 2HB ASP 36 HB1 ASP 36 -6.376 -8.188 5.822 291 H ASN 37 HN ASN 37 -7.422 -6.846 3.702 292 HA ASN 37 HA ASN 37 -9.841 -5.992 5.131 293 1HB ASN 37 HB2 ASN 37 -7.904 -4.630 3.227 294 2HB ASN 37 HB1 ASN 37 -9.173 -3.791 4.127 295 1HD2 ASN 37 HD21 ASN 37 -8.033 -2.652 5.727 296 2HD2 ASN 37 HD22 ASN 37 -6.915 -3.366 6.800 297 H GLY 38 HN GLY 38 -8.922 -6.832 1.837 298 1HA GLY 38 HA2 GLY 38 -10.330 -7.337 0.009 299 2HA GLY 38 HA1 GLY 38 -11.722 -6.963 1.026 300 H ILE 39 HN ILE 39 -8.913 -4.952 0.124 301 HA ILE 39 HA ILE 39 -10.840 -2.985 -1.077 302 HB ILE 39 HB ILE 39 -8.297 -2.521 0.520 303 1HG1 ILE 39 HG12 ILE 39 -10.170 -3.326 1.914 304 2HG1 ILE 39 HG11 ILE 39 -9.830 -1.626 2.248 305 1HG2 ILE 39 HG21 ILE 39 -10.266 -0.643 -0.799 306 2HG2 ILE 39 HG22 ILE 39 -8.517 -0.712 -1.014 307 3HG2 ILE 39 HG23 ILE 39 -9.196 -0.122 0.503 308 1HD1 ILE 39 HD11 ILE 39 -12.103 -2.780 0.617 309 2HD1 ILE 39 HD12 ILE 39 -11.661 -1.075 0.542 310 3HD1 ILE 39 HD13 ILE 39 -12.205 -1.778 2.065 311 H ASP 40 HN ASP 40 -10.382 -3.910 -3.204 312 HA ASP 40 HA ASP 40 -7.597 -3.408 -4.204 313 1HB ASP 40 HB2 ASP 40 -9.726 -5.448 -4.697 314 2HB ASP 40 HB1 ASP 40 -8.679 -5.021 -6.055 315 H GLY 41 HN GLY 41 -7.430 -1.680 -5.568 316 1HA GLY 41 HA2 GLY 41 -9.434 -1.143 -7.614 317 2HA GLY 41 HA1 GLY 41 -9.420 0.080 -6.339 318 H GLU 42 HN GLU 42 -7.837 1.638 -6.389 319 HA GLU 42 HA GLU 42 -5.622 1.295 -8.385 320 1HB GLU 42 HB2 GLU 42 -7.338 3.712 -7.726 321 2HB GLU 42 HB1 GLU 42 -5.955 3.743 -8.822 322 1HG GLU 42 HG2 GLU 42 -7.030 2.454 -10.437 323 2HG GLU 42 HG1 GLU 42 -8.125 1.718 -9.266 324 H TRP 43 HN TRP 43 -3.629 1.555 -7.483 325 HA TRP 43 HA TRP 43 -3.423 2.654 -4.732 326 1HB TRP 43 HB2 TRP 43 -1.656 1.006 -6.540 327 2HB TRP 43 HB1 TRP 43 -1.077 1.659 -5.017 328 HD1 TRP 43 HD1 TRP 43 -4.664 0.328 -5.327 329 HE1 TRP 43 HE1 TRP 43 -4.858 -1.797 -3.889 330 HE3 TRP 43 HE3 TRP 43 0.209 -0.261 -3.997 331 HZ2 TRP 43 HZ2 TRP 43 -3.170 -3.499 -2.341 332 HZ3 TRP 43 HZ3 TRP 43 0.895 -2.136 -2.519 333 HH2 TRP 43 HH2 TRP 43 -0.784 -3.750 -1.696 334 H THR 44 HN THR 44 -1.755 2.891 -7.823 335 HA THR 44 HA THR 44 -0.529 4.616 -8.841 336 HB THR 44 HB THR 44 -1.343 6.796 -8.593 337 HG1 THR 44 HG1 THR 44 -2.243 6.228 -5.978 338 1HG2 THR 44 HG21 THR 44 -3.194 4.856 -8.822 339 2HG2 THR 44 HG22 THR 44 -3.610 6.570 -8.816 340 3HG2 THR 44 HG23 THR 44 -3.768 5.619 -7.339 341 H TYR 45 HN TYR 45 1.582 5.145 -8.542 342 HA TYR 45 HA TYR 45 2.649 5.050 -5.756 343 1HB TYR 45 HB2 TYR 45 3.523 3.496 -7.461 344 2HB TYR 45 HB1 TYR 45 3.954 4.854 -8.495 345 HD1 TYR 45 HD1 TYR 45 4.365 4.242 -4.807 346 HD2 TYR 45 HD2 TYR 45 6.269 5.071 -8.568 347 HE1 TYR 45 HE1 TYR 45 6.553 4.440 -3.656 348 HE2 TYR 45 HE2 TYR 45 8.455 5.269 -7.417 349 HH TYR 45 HH TYR 45 8.908 4.291 -4.152 350 H ASP 46 HN ASP 46 4.174 6.697 -5.070 351 HA ASP 46 HA ASP 46 4.235 9.193 -6.721 352 1HB ASP 46 HB2 ASP 46 3.847 10.451 -4.597 353 2HB ASP 46 HB1 ASP 46 2.493 9.401 -5.009 354 H ASP 47 HN ASP 47 6.319 9.810 -7.022 355 HA ASP 47 HA ASP 47 8.512 8.524 -5.586 356 1HB ASP 47 HB2 ASP 47 8.495 9.125 -8.006 357 2HB ASP 47 HB1 ASP 47 8.473 10.830 -7.556 358 H ALA 48 HN ALA 48 6.554 11.161 -4.760 359 HA ALA 48 HA ALA 48 8.378 13.120 -3.799 360 1HB ALA 48 HB1 ALA 48 6.361 13.398 -2.099 361 2HB ALA 48 HB2 ALA 48 5.596 12.202 -3.145 362 3HB ALA 48 HB3 ALA 48 6.130 13.745 -3.812 363 H THR 49 HN THR 49 7.233 10.101 -2.338 364 HA THR 49 HA THR 49 9.494 10.111 -0.454 365 HB THR 49 HB THR 49 7.830 11.534 0.641 366 HG1 THR 49 HG1 THR 49 8.735 10.419 2.202 367 1HG2 THR 49 HG21 THR 49 6.008 9.429 -0.326 368 2HG2 THR 49 HG22 THR 49 5.691 11.133 -0.001 369 3HG2 THR 49 HG23 THR 49 5.693 9.969 1.324 370 H LYS 50 HN LYS 50 8.346 8.411 -2.652 371 HA LYS 50 HA LYS 50 7.961 6.128 -3.114 372 1HB LYS 50 HB2 LYS 50 9.376 5.889 -0.438 373 2HB LYS 50 HB1 LYS 50 9.272 4.634 -1.670 374 1HG LYS 50 HG2 LYS 50 10.336 6.431 -3.242 375 2HG LYS 50 HG1 LYS 50 10.821 7.213 -1.738 376 1HD LYS 50 HD2 LYS 50 12.639 5.844 -1.914 377 2HD LYS 50 HD1 LYS 50 11.554 4.646 -1.209 378 1HE LYS 50 HE2 LYS 50 12.408 3.548 -3.131 379 2HE LYS 50 HE1 LYS 50 10.852 4.187 -3.696 380 1HZ LYS 50 HZ1 LYS 50 13.501 5.507 -3.973 381 2HZ LYS 50 HZ2 LYS 50 12.017 6.207 -4.416 382 3HZ LYS 50 HZ3 LYS 50 12.586 4.828 -5.229 383 H THR 51 HN THR 51 5.790 7.504 -1.711 384 HA THR 51 HA THR 51 4.764 5.471 0.206 385 HB THR 51 HB THR 51 3.872 8.238 -0.686 386 HG1 THR 51 HG1 THR 51 5.743 7.812 0.792 387 1HG2 THR 51 HG21 THR 51 1.846 7.114 -0.109 388 2HG2 THR 51 HG22 THR 51 2.305 8.032 1.326 389 3HG2 THR 51 HG23 THR 51 2.605 6.295 1.256 390 H TRP 52 HN TRP 52 2.360 4.887 -0.139 391 HA TRP 52 HA TRP 52 1.667 4.660 -3.047 392 1HB TRP 52 HB2 TRP 52 1.880 2.554 -0.894 393 2HB TRP 52 HB1 TRP 52 0.940 2.291 -2.355 394 HD1 TRP 52 HD1 TRP 52 4.511 2.655 -1.112 395 HE1 TRP 52 HE1 TRP 52 6.119 1.911 -2.991 396 HE3 TRP 52 HE3 TRP 52 1.180 2.073 -4.888 397 HZ2 TRP 52 HZ2 TRP 52 5.984 1.152 -5.757 398 HZ3 TRP 52 HZ3 TRP 52 1.919 1.331 -7.143 399 HH2 TRP 52 HH2 TRP 52 4.318 0.869 -7.578 400 H THR 53 HN THR 53 -0.651 3.344 -2.923 401 HA THR 53 HA THR 53 -2.390 4.277 -0.743 402 HB THR 53 HB THR 53 -3.175 5.157 -3.503 403 HG1 THR 53 HG1 THR 53 -1.792 6.748 -3.543 404 1HG2 THR 53 HG21 THR 53 -3.789 5.816 -0.671 405 2HG2 THR 53 HG22 THR 53 -4.866 5.711 -2.063 406 3HG2 THR 53 HG23 THR 53 -3.864 7.143 -1.831 407 H VAL 54 HN VAL 54 -4.831 3.738 -1.664 408 HA VAL 54 HA VAL 54 -5.088 1.556 -3.541 409 HB VAL 54 HB VAL 54 -3.797 0.378 -1.818 410 1HG1 VAL 54 HG11 VAL 54 -3.990 0.962 0.331 411 2HG1 VAL 54 HG12 VAL 54 -5.632 0.322 0.367 412 3HG1 VAL 54 HG13 VAL 54 -5.351 2.008 -0.061 413 1HG2 VAL 54 HG21 VAL 54 -6.078 -0.571 -2.900 414 2HG2 VAL 54 HG22 VAL 54 -6.528 -0.639 -1.196 415 3HG2 VAL 54 HG23 VAL 54 -5.103 -1.514 -1.767 416 H THR 55 HN THR 55 -6.847 3.101 -4.019 417 HA THR 55 HA THR 55 -9.040 3.344 -2.045 418 HB THR 55 HB THR 55 -8.961 4.319 -4.906 419 HG1 THR 55 HG1 THR 55 -7.212 5.316 -4.301 420 1HG2 THR 55 HG21 THR 55 -10.256 6.202 -3.870 421 2HG2 THR 55 HG22 THR 55 -10.239 5.314 -2.346 422 3HG2 THR 55 HG23 THR 55 -11.067 4.640 -3.750 423 H GLU 56 HN GLU 56 -10.731 1.929 -2.030 424 HA GLU 56 HA GLU 56 -10.964 -0.292 -3.836 425 1HB GLU 56 HB2 GLU 56 -11.915 0.361 -1.390 426 2HB GLU 56 HB1 GLU 56 -13.349 0.708 -2.356 427 1HG GLU 56 HG2 GLU 56 -11.919 -1.851 -2.905 428 2HG GLU 56 HG1 GLU 56 -12.850 -1.748 -1.410 Start of MODEL 25 1 1H THR 1 HT1 THR 1 15.547 1.808 3.263 2 2H THR 1 HT2 THR 1 16.039 2.801 1.975 3 3H THR 1 HT3 THR 1 14.765 1.698 1.762 4 HA THR 1 HA THR 1 14.662 3.976 3.671 5 HB THR 1 HB THR 1 14.972 4.732 1.352 6 HG1 THR 1 HG1 THR 1 13.540 5.964 2.464 7 1HG2 THR 1 HG21 THR 1 14.306 2.806 0.090 8 2HG2 THR 1 HG22 THR 1 13.172 4.091 -0.326 9 3HG2 THR 1 HG23 THR 1 12.691 2.822 0.800 10 H THR 2 HN THR 2 12.188 4.482 3.900 11 HA THR 2 HA THR 2 10.777 1.889 4.377 12 HB THR 2 HB THR 2 10.238 4.664 5.478 13 HG1 THR 2 HG1 THR 2 11.690 2.518 6.628 14 1HG2 THR 2 HG21 THR 2 9.314 1.878 6.191 15 2HG2 THR 2 HG22 THR 2 8.326 3.281 5.782 16 3HG2 THR 2 HG23 THR 2 9.189 3.228 7.319 17 H PHE 3 HN PHE 3 8.948 1.444 3.207 18 HA PHE 3 HA PHE 3 7.998 3.418 1.215 19 1HB PHE 3 HB2 PHE 3 7.294 0.523 1.812 20 2HB PHE 3 HB1 PHE 3 6.732 1.427 0.406 21 HD1 PHE 3 HD1 PHE 3 8.850 2.825 -0.722 22 HD2 PHE 3 HD2 PHE 3 9.053 -0.935 1.351 23 HE1 PHE 3 HE1 PHE 3 10.955 2.280 -1.914 24 HE2 PHE 3 HE2 PHE 3 11.157 -1.478 0.157 25 HZ PHE 3 HZ PHE 3 12.108 0.130 -1.474 26 H LYS 4 HN LYS 4 5.520 3.564 0.964 27 HA LYS 4 HA LYS 4 4.060 3.357 3.562 28 1HB LYS 4 HB2 LYS 4 5.204 5.617 3.214 29 2HB LYS 4 HB1 LYS 4 4.115 5.857 1.855 30 1HG LYS 4 HG2 LYS 4 2.171 5.587 3.328 31 2HG LYS 4 HG1 LYS 4 3.239 5.311 4.703 32 1HD LYS 4 HD2 LYS 4 3.756 7.520 4.914 33 2HD LYS 4 HD1 LYS 4 3.797 7.779 3.171 34 1HE LYS 4 HE2 LYS 4 1.621 8.462 3.112 35 2HE LYS 4 HE1 LYS 4 1.100 7.185 4.230 36 1HZ LYS 4 HZ1 LYS 4 0.929 9.269 5.363 37 2HZ LYS 4 HZ2 LYS 4 2.512 9.706 4.925 38 3HZ LYS 4 HZ3 LYS 4 2.251 8.433 6.019 39 H LEU 5 HN LEU 5 1.748 3.382 3.290 40 HA LEU 5 HA LEU 5 0.603 3.518 0.574 41 1HB LEU 5 HB2 LEU 5 1.610 1.137 1.279 42 2HB LEU 5 HB1 LEU 5 0.066 1.007 2.113 43 HG LEU 5 HG LEU 5 -0.253 2.066 -0.597 44 1HD1 LEU 5 HD11 LEU 5 0.584 -0.827 -0.493 45 2HD1 LEU 5 HD12 LEU 5 1.790 0.444 -0.737 46 3HD1 LEU 5 HD13 LEU 5 0.468 0.250 -1.895 47 1HD2 LEU 5 HD21 LEU 5 -2.097 1.233 0.786 48 2HD2 LEU 5 HD22 LEU 5 -1.345 -0.362 0.858 49 3HD2 LEU 5 HD23 LEU 5 -1.952 0.258 -0.678 50 H ILE 6 HN ILE 6 -1.445 4.346 0.750 51 HA ILE 6 HA ILE 6 -2.643 4.543 3.476 52 HB ILE 6 HB ILE 6 -3.050 6.039 0.873 53 1HG1 ILE 6 HG12 ILE 6 -0.881 6.432 2.006 54 2HG1 ILE 6 HG11 ILE 6 -1.898 7.871 2.047 55 1HG2 ILE 6 HG21 ILE 6 -5.070 6.553 1.794 56 2HG2 ILE 6 HG22 ILE 6 -4.125 7.627 2.825 57 3HG2 ILE 6 HG23 ILE 6 -4.579 6.024 3.403 58 1HD1 ILE 6 HD11 ILE 6 -1.593 7.895 4.284 59 2HD1 ILE 6 HD12 ILE 6 -0.839 6.302 4.256 60 3HD1 ILE 6 HD13 ILE 6 -2.593 6.445 4.361 61 H ILE 7 HN ILE 7 -4.639 3.636 3.901 62 HA ILE 7 HA ILE 7 -5.782 1.790 1.901 63 HB ILE 7 HB ILE 7 -6.514 2.453 4.774 64 1HG1 ILE 7 HG12 ILE 7 -4.993 0.050 3.736 65 2HG1 ILE 7 HG11 ILE 7 -4.181 1.509 4.309 66 1HG2 ILE 7 HG21 ILE 7 -8.367 1.399 3.549 67 2HG2 ILE 7 HG22 ILE 7 -7.679 0.265 4.712 68 3HG2 ILE 7 HG23 ILE 7 -7.288 0.118 2.998 69 1HD1 ILE 7 HD11 ILE 7 -5.759 -0.513 5.849 70 2HD1 ILE 7 HD12 ILE 7 -5.795 1.163 6.396 71 3HD1 ILE 7 HD13 ILE 7 -4.258 0.305 6.284 72 H ASN 8 HN ASN 8 -7.266 2.594 0.475 73 HA ASN 8 HA ASN 8 -9.067 4.815 1.375 74 1HB ASN 8 HB2 ASN 8 -7.799 4.007 -1.236 75 2HB ASN 8 HB1 ASN 8 -9.255 5.002 -1.239 76 1HD2 ASN 8 HD21 ASN 8 -7.910 6.806 -2.114 77 2HD2 ASN 8 HD22 ASN 8 -6.904 7.696 -1.061 78 H GLY 9 HN GLY 9 -9.853 2.339 2.210 79 1HA GLY 9 HA2 GLY 9 -11.562 1.025 0.230 80 2HA GLY 9 HA1 GLY 9 -11.457 0.615 1.947 81 H LYS 10 HN LYS 10 -13.890 0.972 0.355 82 HA LYS 10 HA LYS 10 -15.201 3.434 0.675 83 1HB LYS 10 HB2 LYS 10 -16.145 0.566 0.740 84 2HB LYS 10 HB1 LYS 10 -17.262 1.932 0.709 85 1HG LYS 10 HG2 LYS 10 -15.070 1.964 -1.302 86 2HG LYS 10 HG1 LYS 10 -16.344 0.768 -1.543 87 1HD LYS 10 HD2 LYS 10 -17.960 2.360 -1.923 88 2HD LYS 10 HD1 LYS 10 -17.202 3.536 -0.850 89 1HE LYS 10 HE2 LYS 10 -15.292 3.335 -2.796 90 2HE LYS 10 HE1 LYS 10 -16.774 3.094 -3.744 91 1HZ LYS 10 HZ1 LYS 10 -16.159 5.476 -3.377 92 2HZ LYS 10 HZ2 LYS 10 -16.457 5.242 -1.721 93 3HZ LYS 10 HZ3 LYS 10 -17.716 5.062 -2.848 94 H THR 11 HN THR 11 -14.593 0.897 3.044 95 HA THR 11 HA THR 11 -15.938 2.581 5.136 96 HB THR 11 HB THR 11 -15.595 -0.423 5.186 97 HG1 THR 11 HG1 THR 11 -17.768 -0.442 4.384 98 1HG2 THR 11 HG21 THR 11 -17.051 1.646 6.753 99 2HG2 THR 11 HG22 THR 11 -16.300 0.145 7.295 100 3HG2 THR 11 HG23 THR 11 -17.876 0.107 6.504 101 H LEU 12 HN LEU 12 -13.286 0.309 4.424 102 HA LEU 12 HA LEU 12 -11.972 0.857 7.015 103 1HB LEU 12 HB2 LEU 12 -11.256 -0.810 4.581 104 2HB LEU 12 HB1 LEU 12 -10.343 -0.807 6.090 105 HG LEU 12 HG LEU 12 -13.299 -1.331 6.156 106 1HD1 LEU 12 HD11 LEU 12 -11.887 -2.817 4.453 107 2HD1 LEU 12 HD12 LEU 12 -13.104 -3.542 5.504 108 3HD1 LEU 12 HD13 LEU 12 -11.398 -3.630 5.940 109 1HD2 LEU 12 HD21 LEU 12 -12.425 -2.836 8.058 110 2HD2 LEU 12 HD22 LEU 12 -12.300 -1.093 8.301 111 3HD2 LEU 12 HD23 LEU 12 -10.877 -2.022 7.828 112 H LYS 13 HN LYS 13 -9.923 1.908 7.184 113 HA LYS 13 HA LYS 13 -8.628 3.068 4.811 114 1HB LYS 13 HB2 LYS 13 -10.450 4.553 6.656 115 2HB LYS 13 HB1 LYS 13 -9.006 5.394 6.091 116 1HG LYS 13 HG2 LYS 13 -9.816 4.377 3.746 117 2HG LYS 13 HG1 LYS 13 -11.383 4.464 4.551 118 1HD LYS 13 HD2 LYS 13 -9.499 6.817 4.581 119 2HD LYS 13 HD1 LYS 13 -10.586 6.545 3.219 120 1HE LYS 13 HE2 LYS 13 -12.531 6.589 4.718 121 2HE LYS 13 HE1 LYS 13 -11.462 6.790 6.121 122 1HZ LYS 13 HZ1 LYS 13 -10.624 8.822 5.218 123 2HZ LYS 13 HZ2 LYS 13 -12.320 8.923 5.222 124 3HZ LYS 13 HZ3 LYS 13 -11.488 8.610 3.774 125 H GLY 14 HN GLY 14 -6.869 4.742 5.748 126 1HA GLY 14 HA2 GLY 14 -5.651 5.121 8.002 127 2HA GLY 14 HA1 GLY 14 -5.565 3.360 8.047 128 H GLU 15 HN GLU 15 -3.157 4.112 8.144 129 HA GLU 15 HA GLU 15 -2.095 4.146 5.339 130 1HB GLU 15 HB2 GLU 15 -0.312 5.654 6.209 131 2HB GLU 15 HB1 GLU 15 -1.916 6.364 6.387 132 1HG GLU 15 HG2 GLU 15 -1.986 5.620 8.742 133 2HG GLU 15 HG1 GLU 15 -0.379 4.916 8.566 134 H THR 16 HN THR 16 0.196 3.287 5.252 135 HA THR 16 HA THR 16 1.120 1.655 7.521 136 HB THR 16 HB THR 16 -0.682 0.290 6.559 137 HG1 THR 16 HG1 THR 16 0.636 -1.528 5.996 138 1HG2 THR 16 HG21 THR 16 -0.883 1.049 4.326 139 2HG2 THR 16 HG22 THR 16 -0.256 -0.591 4.173 140 3HG2 THR 16 HG23 THR 16 0.829 0.788 3.989 141 H THR 17 HN THR 17 3.288 0.973 7.243 142 HA THR 17 HA THR 17 4.620 1.682 4.654 143 HB THR 17 HB THR 17 6.470 2.620 6.100 144 HG1 THR 17 HG1 THR 17 5.915 1.609 8.027 145 1HG2 THR 17 HG21 THR 17 5.041 4.217 5.073 146 2HG2 THR 17 HG22 THR 17 5.112 4.687 6.771 147 3HG2 THR 17 HG23 THR 17 3.703 3.827 6.152 148 H THR 18 HN THR 18 6.654 0.498 4.336 149 HA THR 18 HA THR 18 7.149 -1.750 6.211 150 HB THR 18 HB THR 18 5.859 -1.815 3.572 151 HG1 THR 18 HG1 THR 18 6.432 -3.765 5.553 152 1HG2 THR 18 HG21 THR 18 7.059 -3.785 2.692 153 2HG2 THR 18 HG22 THR 18 8.273 -3.613 3.960 154 3HG2 THR 18 HG23 THR 18 8.092 -2.354 2.736 155 H GLU 19 HN GLU 19 9.283 -2.821 5.643 156 HA GLU 19 HA GLU 19 11.195 -0.871 4.397 157 1HB GLU 19 HB2 GLU 19 11.229 -1.135 6.919 158 2HB GLU 19 HB1 GLU 19 11.689 -2.819 6.669 159 1HG GLU 19 HG2 GLU 19 13.508 -1.614 5.069 160 2HG GLU 19 HG1 GLU 19 13.283 -0.343 6.272 161 H ALA 20 HN ALA 20 11.938 -1.767 2.503 162 HA ALA 20 HA ALA 20 12.853 -4.589 2.497 163 1HB ALA 20 HB1 ALA 20 10.476 -3.454 1.077 164 2HB ALA 20 HB2 ALA 20 10.688 -5.048 1.805 165 3HB ALA 20 HB3 ALA 20 11.426 -4.686 0.245 166 H VAL 21 HN VAL 21 13.518 -5.009 -0.019 167 HA VAL 21 HA VAL 21 15.730 -3.260 -0.576 168 HB VAL 21 HB VAL 21 15.539 -5.669 -1.190 169 1HG1 VAL 21 HG11 VAL 21 13.711 -4.812 -3.425 170 2HG1 VAL 21 HG12 VAL 21 13.096 -5.466 -1.906 171 3HG1 VAL 21 HG13 VAL 21 14.134 -6.452 -2.936 172 1HG2 VAL 21 HG21 VAL 21 16.192 -3.539 -3.158 173 2HG2 VAL 21 HG22 VAL 21 16.129 -5.196 -3.759 174 3HG2 VAL 21 HG23 VAL 21 17.236 -4.773 -2.453 175 H ASP 22 HN ASP 22 12.497 -3.567 -1.950 176 HA ASP 22 HA ASP 22 12.670 -0.852 -3.116 177 1HB ASP 22 HB2 ASP 22 12.258 -3.452 -4.619 178 2HB ASP 22 HB1 ASP 22 12.010 -1.855 -5.342 179 H ALA 23 HN ALA 23 10.513 -0.073 -3.734 180 HA ALA 23 HA ALA 23 8.398 -0.858 -1.975 181 1HB ALA 23 HB1 ALA 23 7.131 0.481 -3.960 182 2HB ALA 23 HB2 ALA 23 8.799 0.907 -4.341 183 3HB ALA 23 HB3 ALA 23 8.130 1.294 -2.756 184 H ALA 24 HN ALA 24 9.319 -1.975 -5.178 185 HA ALA 24 HA ALA 24 6.879 -3.206 -6.006 186 1HB ALA 24 HB1 ALA 24 9.630 -4.358 -6.481 187 2HB ALA 24 HB2 ALA 24 9.168 -2.814 -7.198 188 3HB ALA 24 HB3 ALA 24 8.267 -4.277 -7.597 189 H THR 25 HN THR 25 9.617 -4.493 -4.107 190 HA THR 25 HA THR 25 8.464 -7.108 -3.670 191 HB THR 25 HB THR 25 10.621 -5.455 -2.316 192 HG1 THR 25 HG1 THR 25 11.839 -6.336 -3.768 193 1HG2 THR 25 HG21 THR 25 9.673 -7.103 -0.706 194 2HG2 THR 25 HG22 THR 25 11.335 -7.492 -1.161 195 3HG2 THR 25 HG23 THR 25 9.994 -8.390 -1.872 196 H ALA 26 HN ALA 26 8.709 -4.190 -1.585 197 HA ALA 26 HA ALA 26 7.271 -5.231 0.638 198 1HB ALA 26 HB1 ALA 26 6.818 -2.707 1.009 199 2HB ALA 26 HB2 ALA 26 7.704 -2.459 -0.501 200 3HB ALA 26 HB3 ALA 26 8.508 -3.205 0.880 201 H GLU 27 HN GLU 27 6.079 -3.125 -2.000 202 HA GLU 27 HA GLU 27 3.399 -2.888 -1.428 203 1HB GLU 27 HB2 GLU 27 4.634 -1.958 -3.377 204 2HB GLU 27 HB1 GLU 27 4.619 -3.553 -4.129 205 1HG GLU 27 HG2 GLU 27 2.032 -3.419 -3.782 206 2HG GLU 27 HG1 GLU 27 2.315 -1.685 -3.623 207 H LYS 28 HN LYS 28 4.941 -5.819 -2.758 208 HA LYS 28 HA LYS 28 2.520 -7.282 -3.327 209 1HB LYS 28 HB2 LYS 28 5.281 -8.223 -2.448 210 2HB LYS 28 HB1 LYS 28 4.064 -9.230 -3.230 211 1HG LYS 28 HG2 LYS 28 4.328 -8.192 -5.291 212 2HG LYS 28 HG1 LYS 28 4.909 -6.688 -4.575 213 1HD LYS 28 HD2 LYS 28 6.926 -7.509 -5.330 214 2HD LYS 28 HD1 LYS 28 6.886 -8.307 -3.758 215 1HE LYS 28 HE2 LYS 28 5.725 -10.267 -4.912 216 2HE LYS 28 HE1 LYS 28 6.152 -9.490 -6.450 217 1HZ LYS 28 HZ1 LYS 28 8.088 -10.067 -4.272 218 2HZ LYS 28 HZ2 LYS 28 8.446 -9.459 -5.818 219 3HZ LYS 28 HZ3 LYS 28 7.877 -11.050 -5.638 220 H VAL 29 HN VAL 29 4.619 -7.053 -0.467 221 HA VAL 29 HA VAL 29 3.063 -8.814 1.231 222 HB VAL 29 HB VAL 29 5.165 -6.656 1.581 223 1HG1 VAL 29 HG11 VAL 29 3.703 -6.527 3.581 224 2HG1 VAL 29 HG12 VAL 29 5.295 -7.177 3.981 225 3HG1 VAL 29 HG13 VAL 29 3.912 -8.263 3.833 226 1HG2 VAL 29 HG21 VAL 29 6.492 -8.610 2.376 227 2HG2 VAL 29 HG22 VAL 29 5.894 -8.824 0.730 228 3HG2 VAL 29 HG23 VAL 29 5.098 -9.647 2.072 229 H LEU 30 HN LEU 30 3.157 -5.268 0.725 230 HA LEU 30 HA LEU 30 1.244 -4.511 2.685 231 1HB LEU 30 HB2 LEU 30 2.154 -3.429 0.018 232 2HB LEU 30 HB1 LEU 30 0.912 -2.591 0.936 233 HG LEU 30 HG LEU 30 3.404 -1.873 1.237 234 1HD1 LEU 30 HD11 LEU 30 1.720 -0.917 2.628 235 2HD1 LEU 30 HD12 LEU 30 3.021 -1.464 3.694 236 3HD1 LEU 30 HD13 LEU 30 1.538 -2.416 3.545 237 1HD2 LEU 30 HD21 LEU 30 4.457 -3.066 3.197 238 2HD2 LEU 30 HD22 LEU 30 4.501 -3.929 1.675 239 3HD2 LEU 30 HD23 LEU 30 3.340 -4.383 2.920 240 H LYS 31 HN LYS 31 0.886 -5.883 -0.534 241 HA LYS 31 HA LYS 31 -1.952 -5.467 -0.901 242 1HB LYS 31 HB2 LYS 31 0.031 -6.403 -2.442 243 2HB LYS 31 HB1 LYS 31 -0.477 -7.938 -1.783 244 1HG LYS 31 HG2 LYS 31 -2.465 -6.020 -3.001 245 2HG LYS 31 HG1 LYS 31 -1.591 -7.192 -3.986 246 1HD LYS 31 HD2 LYS 31 -3.379 -7.832 -1.617 247 2HD LYS 31 HD1 LYS 31 -3.761 -8.120 -3.312 248 1HE LYS 31 HE2 LYS 31 -1.249 -9.342 -2.913 249 2HE LYS 31 HE1 LYS 31 -2.224 -9.785 -1.493 250 1HZ LYS 31 HZ1 LYS 31 -2.722 -11.320 -3.253 251 2HZ LYS 31 HZ2 LYS 31 -3.010 -10.056 -4.351 252 3HZ LYS 31 HZ3 LYS 31 -4.067 -10.308 -3.045 253 H GLN 32 HN GLN 32 0.037 -8.015 0.537 254 HA GLN 32 HA GLN 32 -1.932 -9.908 1.266 255 1HB GLN 32 HB2 GLN 32 0.689 -9.779 1.465 256 2HB GLN 32 HB1 GLN 32 0.335 -9.189 3.086 257 1HG GLN 32 HG2 GLN 32 0.460 -11.495 3.445 258 2HG GLN 32 HG1 GLN 32 -1.270 -11.263 3.194 259 1HE2 GLN 32 HE21 GLN 32 1.134 -13.331 2.331 260 2HE2 GLN 32 HE22 GLN 32 0.593 -13.789 0.780 261 H TYR 33 HN TYR 33 -0.801 -6.988 2.959 262 HA TYR 33 HA TYR 33 -2.437 -7.234 5.326 263 1HB TYR 33 HB2 TYR 33 -0.492 -5.744 5.126 264 2HB TYR 33 HB1 TYR 33 -1.286 -4.842 3.834 265 HD1 TYR 33 HD1 TYR 33 -1.510 -5.772 7.413 266 HD2 TYR 33 HD2 TYR 33 -2.854 -3.123 4.319 267 HE1 TYR 33 HE1 TYR 33 -2.626 -4.369 9.110 268 HE2 TYR 33 HE2 TYR 33 -3.969 -1.707 6.018 269 HH TYR 33 HH TYR 33 -4.835 -1.865 8.265 270 H ILE 34 HN ILE 34 -2.891 -5.680 2.168 271 HA ILE 34 HA ILE 34 -5.519 -4.582 2.657 272 HB ILE 34 HB ILE 34 -4.086 -5.469 0.130 273 1HG1 ILE 34 HG12 ILE 34 -2.979 -3.743 1.701 274 2HG1 ILE 34 HG11 ILE 34 -3.146 -3.301 0.006 275 1HG2 ILE 34 HG21 ILE 34 -6.421 -3.565 0.455 276 2HG2 ILE 34 HG22 ILE 34 -6.504 -5.185 -0.237 277 3HG2 ILE 34 HG23 ILE 34 -5.586 -3.923 -1.057 278 1HD1 ILE 34 HD11 ILE 34 -5.338 -2.559 1.911 279 2HD1 ILE 34 HD12 ILE 34 -4.802 -1.738 0.446 280 3HD1 ILE 34 HD13 ILE 34 -3.849 -1.614 1.925 281 H ASN 35 HN ASN 35 -4.285 -7.722 1.659 282 HA ASN 35 HA ASN 35 -6.608 -8.927 0.570 283 1HB ASN 35 HB2 ASN 35 -4.148 -9.705 0.763 284 2HB ASN 35 HB1 ASN 35 -4.610 -10.324 2.348 285 1HD2 ASN 35 HD21 ASN 35 -6.173 -12.102 2.425 286 2HD2 ASN 35 HD22 ASN 35 -6.537 -13.012 1.040 287 H ASP 36 HN ASP 36 -5.738 -8.228 3.902 288 HA ASP 36 HA ASP 36 -7.772 -9.966 5.092 289 1HB ASP 36 HB2 ASP 36 -5.486 -9.052 6.000 290 2HB ASP 36 HB1 ASP 36 -6.429 -7.623 6.426 291 H ASN 37 HN ASN 37 -7.362 -6.405 4.879 292 HA ASN 37 HA ASN 37 -9.945 -5.714 5.888 293 1HB ASN 37 HB2 ASN 37 -8.052 -4.320 3.963 294 2HB ASN 37 HB1 ASN 37 -9.427 -3.533 4.746 295 1HD2 ASN 37 HD21 ASN 37 -8.218 -2.115 6.122 296 2HD2 ASN 37 HD22 ASN 37 -7.200 -2.686 7.366 297 H GLY 38 HN GLY 38 -8.848 -6.638 2.668 298 1HA GLY 38 HA2 GLY 38 -10.188 -7.441 0.882 299 2HA GLY 38 HA1 GLY 38 -11.628 -7.006 1.803 300 H ILE 39 HN ILE 39 -8.969 -4.776 1.180 301 HA ILE 39 HA ILE 39 -10.839 -3.150 -0.512 302 HB ILE 39 HB ILE 39 -8.540 -2.332 1.298 303 1HG1 ILE 39 HG12 ILE 39 -10.492 -3.153 2.562 304 2HG1 ILE 39 HG11 ILE 39 -10.332 -1.403 2.742 305 1HG2 ILE 39 HG21 ILE 39 -9.469 -0.029 0.934 306 2HG2 ILE 39 HG22 ILE 39 -10.535 -0.701 -0.299 307 3HG2 ILE 39 HG23 ILE 39 -8.786 -0.749 -0.524 308 1HD1 ILE 39 HD11 ILE 39 -12.519 -1.330 2.140 309 2HD1 ILE 39 HD12 ILE 39 -12.486 -2.968 1.486 310 3HD1 ILE 39 HD13 ILE 39 -11.931 -1.614 0.502 311 H ASP 40 HN ASP 40 -9.919 -4.553 -2.324 312 HA ASP 40 HA ASP 40 -7.232 -3.546 -3.214 313 1HB ASP 40 HB2 ASP 40 -8.670 -6.184 -3.379 314 2HB ASP 40 HB1 ASP 40 -7.454 -5.783 -4.597 315 H GLY 41 HN GLY 41 -8.090 -1.742 -4.397 316 1HA GLY 41 HA2 GLY 41 -9.785 -2.499 -6.748 317 2HA GLY 41 HA1 GLY 41 -9.950 -0.948 -5.919 318 H GLU 42 HN GLU 42 -8.204 0.604 -6.125 319 HA GLU 42 HA GLU 42 -6.305 0.035 -8.376 320 1HB GLU 42 HB2 GLU 42 -8.504 1.945 -8.123 321 2HB GLU 42 HB1 GLU 42 -6.981 2.757 -8.482 322 1HG GLU 42 HG2 GLU 42 -6.801 1.806 -10.557 323 2HG GLU 42 HG1 GLU 42 -7.553 0.295 -10.046 324 H TRP 43 HN TRP 43 -4.244 0.321 -7.662 325 HA TRP 43 HA TRP 43 -3.728 2.026 -5.271 326 1HB TRP 43 HB2 TRP 43 -2.106 0.004 -6.851 327 2HB TRP 43 HB1 TRP 43 -1.453 0.917 -5.503 328 HD1 TRP 43 HD1 TRP 43 -5.043 -0.443 -5.334 329 HE1 TRP 43 HE1 TRP 43 -5.116 -2.305 -3.570 330 HE3 TRP 43 HE3 TRP 43 -0.081 -0.820 -4.263 331 HZ2 TRP 43 HZ2 TRP 43 -3.318 -3.734 -1.881 332 HZ3 TRP 43 HZ3 TRP 43 0.713 -2.430 -2.546 333 HH2 TRP 43 HH2 TRP 43 -0.893 -3.882 -1.361 334 H THR 44 HN THR 44 -1.708 3.413 -5.420 335 HA THR 44 HA THR 44 -0.944 4.275 -8.152 336 HB THR 44 HB THR 44 -1.497 6.617 -7.647 337 HG1 THR 44 HG1 THR 44 -2.330 7.192 -5.743 338 1HG2 THR 44 HG21 THR 44 -3.211 4.970 -8.618 339 2HG2 THR 44 HG22 THR 44 -3.849 6.464 -7.931 340 3HG2 THR 44 HG23 THR 44 -3.940 4.961 -7.012 341 H TYR 45 HN TYR 45 1.210 4.687 -8.161 342 HA TYR 45 HA TYR 45 2.674 4.730 -5.582 343 1HB TYR 45 HB2 TYR 45 3.352 3.190 -7.359 344 2HB TYR 45 HB1 TYR 45 3.492 4.522 -8.503 345 HD1 TYR 45 HD1 TYR 45 4.655 4.043 -4.957 346 HD2 TYR 45 HD2 TYR 45 5.717 4.908 -9.028 347 HE1 TYR 45 HE1 TYR 45 7.013 4.405 -4.266 348 HE2 TYR 45 HE2 TYR 45 8.069 5.268 -8.340 349 HH TYR 45 HH TYR 45 9.569 4.666 -6.551 350 H ASP 46 HN ASP 46 4.236 6.450 -5.135 351 HA ASP 46 HA ASP 46 3.943 8.931 -6.788 352 1HB ASP 46 HB2 ASP 46 3.868 8.778 -3.753 353 2HB ASP 46 HB1 ASP 46 3.669 10.227 -4.732 354 H ASP 47 HN ASP 47 5.934 9.707 -7.314 355 HA ASP 47 HA ASP 47 8.372 8.549 -6.241 356 1HB ASP 47 HB2 ASP 47 8.041 9.365 -8.566 357 2HB ASP 47 HB1 ASP 47 7.890 11.011 -7.949 358 H ALA 48 HN ALA 48 6.304 10.955 -5.010 359 HA ALA 48 HA ALA 48 7.990 12.979 -4.003 360 1HB ALA 48 HB1 ALA 48 5.712 13.321 -3.679 361 2HB ALA 48 HB2 ALA 48 6.165 12.779 -2.063 362 3HB ALA 48 HB3 ALA 48 5.427 11.646 -3.199 363 H THR 49 HN THR 49 6.765 10.336 -1.946 364 HA THR 49 HA THR 49 9.482 10.092 -0.701 365 HB THR 49 HB THR 49 8.020 11.503 0.682 366 HG1 THR 49 HG1 THR 49 9.372 9.919 1.691 367 1HG2 THR 49 HG21 THR 49 5.799 11.159 0.684 368 2HG2 THR 49 HG22 THR 49 6.049 9.636 1.537 369 3HG2 THR 49 HG23 THR 49 6.012 9.662 -0.227 370 H LYS 50 HN LYS 50 8.149 8.435 -2.726 371 HA LYS 50 HA LYS 50 7.767 6.162 -3.191 372 1HB LYS 50 HB2 LYS 50 9.047 5.758 -0.470 373 2HB LYS 50 HB1 LYS 50 9.012 4.608 -1.801 374 1HG LYS 50 HG2 LYS 50 10.366 7.318 -1.938 375 2HG LYS 50 HG1 LYS 50 11.206 5.808 -1.584 376 1HD LYS 50 HD2 LYS 50 9.553 6.254 -4.081 377 2HD LYS 50 HD1 LYS 50 11.297 6.503 -4.011 378 1HE LYS 50 HE2 LYS 50 11.104 4.008 -2.906 379 2HE LYS 50 HE1 LYS 50 9.772 3.969 -4.078 380 1HZ LYS 50 HZ1 LYS 50 12.605 4.689 -4.595 381 2HZ LYS 50 HZ2 LYS 50 11.353 4.969 -5.709 382 3HZ LYS 50 HZ3 LYS 50 11.743 3.382 -5.246 383 H THR 51 HN THR 51 5.525 7.467 -2.172 384 HA THR 51 HA THR 51 4.395 5.682 -0.067 385 HB THR 51 HB THR 51 3.431 8.250 -1.382 386 HG1 THR 51 HG1 THR 51 4.027 9.133 0.609 387 1HG2 THR 51 HG21 THR 51 1.457 7.187 -0.646 388 2HG2 THR 51 HG22 THR 51 1.900 8.222 0.712 389 3HG2 THR 51 HG23 THR 51 2.252 6.494 0.768 390 H TRP 52 HN TRP 52 2.066 4.960 -0.497 391 HA TRP 52 HA TRP 52 1.579 4.384 -3.399 392 1HB TRP 52 HB2 TRP 52 1.713 2.564 -0.999 393 2HB TRP 52 HB1 TRP 52 0.827 2.101 -2.445 394 HD1 TRP 52 HD1 TRP 52 4.334 2.601 -1.118 395 HE1 TRP 52 HE1 TRP 52 6.022 1.732 -2.869 396 HE3 TRP 52 HE3 TRP 52 1.164 1.729 -4.972 397 HZ2 TRP 52 HZ2 TRP 52 6.002 0.775 -5.580 398 HZ3 TRP 52 HZ3 TRP 52 1.996 0.834 -7.138 399 HH2 TRP 52 HH2 TRP 52 4.413 0.355 -7.442 400 H THR 53 HN THR 53 -0.737 3.022 -3.259 401 HA THR 53 HA THR 53 -2.631 4.247 -1.368 402 HB THR 53 HB THR 53 -2.957 4.725 -4.339 403 HG1 THR 53 HG1 THR 53 -1.284 5.989 -4.001 404 1HG2 THR 53 HG21 THR 53 -4.266 6.723 -3.112 405 2HG2 THR 53 HG22 THR 53 -4.367 5.507 -1.839 406 3HG2 THR 53 HG23 THR 53 -5.021 5.163 -3.440 407 H VAL 54 HN VAL 54 -4.948 3.463 -2.007 408 HA VAL 54 HA VAL 54 -5.211 1.119 -3.706 409 HB VAL 54 HB VAL 54 -3.890 0.097 -1.947 410 1HG1 VAL 54 HG11 VAL 54 -3.907 1.314 -0.032 411 2HG1 VAL 54 HG12 VAL 54 -5.204 0.212 0.426 412 3HG1 VAL 54 HG13 VAL 54 -5.586 1.802 -0.233 413 1HG2 VAL 54 HG21 VAL 54 -6.256 -0.928 -2.705 414 2HG2 VAL 54 HG22 VAL 54 -6.595 -0.721 -0.987 415 3HG2 VAL 54 HG23 VAL 54 -5.233 -1.722 -1.502 416 H THR 55 HN THR 55 -6.991 2.603 -4.310 417 HA THR 55 HA THR 55 -9.162 3.040 -2.355 418 HB THR 55 HB THR 55 -9.121 3.624 -5.325 419 HG1 THR 55 HG1 THR 55 -7.970 5.426 -4.893 420 1HG2 THR 55 HG21 THR 55 -11.237 4.137 -4.454 421 2HG2 THR 55 HG22 THR 55 -10.390 5.679 -4.346 422 3HG2 THR 55 HG23 THR 55 -10.576 4.673 -2.909 423 H GLU 56 HN GLU 56 -11.052 1.842 -2.300 424 HA GLU 56 HA GLU 56 -11.217 -0.746 -3.506 425 1HB GLU 56 HB2 GLU 56 -12.423 0.436 -1.467 426 2HB GLU 56 HB1 GLU 56 -13.644 0.820 -2.680 427 1HG GLU 56 HG2 GLU 56 -13.303 -1.776 -3.264 428 2HG GLU 56 HG1 GLU 56 -12.853 -1.826 -1.559 Start of MODEL 26 1 1H THR 1 HT1 THR 1 14.700 2.046 1.463 2 2H THR 1 HT2 THR 1 15.245 1.506 2.979 3 3H THR 1 HT3 THR 1 15.991 2.835 2.229 4 HA THR 1 HA THR 1 14.570 3.691 3.939 5 HB THR 1 HB THR 1 13.091 5.030 2.419 6 HG1 THR 1 HG1 THR 1 12.407 3.724 0.874 7 1HG2 THR 1 HG21 THR 1 14.871 6.086 1.283 8 2HG2 THR 1 HG22 THR 1 15.751 4.571 1.077 9 3HG2 THR 1 HG23 THR 1 15.647 5.321 2.670 10 H THR 2 HN THR 2 12.209 3.999 4.568 11 HA THR 2 HA THR 2 10.844 1.365 4.605 12 HB THR 2 HB THR 2 10.178 3.965 6.017 13 HG1 THR 2 HG1 THR 2 11.704 3.514 7.397 14 1HG2 THR 2 HG21 THR 2 9.675 1.203 7.068 15 2HG2 THR 2 HG22 THR 2 8.581 1.874 5.859 16 3HG2 THR 2 HG23 THR 2 8.804 2.700 7.401 17 H PHE 3 HN PHE 3 9.188 0.970 3.204 18 HA PHE 3 HA PHE 3 8.093 3.079 1.495 19 1HB PHE 3 HB2 PHE 3 7.419 0.144 1.896 20 2HB PHE 3 HB1 PHE 3 6.812 1.142 0.575 21 HD1 PHE 3 HD1 PHE 3 8.952 2.679 -0.419 22 HD2 PHE 3 HD2 PHE 3 9.113 -1.300 1.197 23 HE1 PHE 3 HE1 PHE 3 11.027 2.240 -1.704 24 HE2 PHE 3 HE2 PHE 3 11.188 -1.736 -0.089 25 HZ PHE 3 HZ PHE 3 12.144 0.034 -1.538 26 H LYS 4 HN LYS 4 5.672 3.370 1.326 27 HA LYS 4 HA LYS 4 4.198 2.884 3.880 28 1HB LYS 4 HB2 LYS 4 5.408 5.145 3.774 29 2HB LYS 4 HB1 LYS 4 4.296 5.563 2.477 30 1HG LYS 4 HG2 LYS 4 2.378 5.167 3.952 31 2HG LYS 4 HG1 LYS 4 3.465 4.701 5.259 32 1HD LYS 4 HD2 LYS 4 4.190 6.865 5.620 33 2HD LYS 4 HD1 LYS 4 3.905 7.349 3.949 34 1HE LYS 4 HE2 LYS 4 2.042 8.373 4.810 35 2HE LYS 4 HE1 LYS 4 1.350 6.738 4.801 36 1HZ LYS 4 HZ1 LYS 4 3.012 7.790 7.023 37 2HZ LYS 4 HZ2 LYS 4 2.090 6.363 7.005 38 3HZ LYS 4 HZ3 LYS 4 1.318 7.876 7.018 39 H LEU 5 HN LEU 5 1.889 2.961 3.605 40 HA LEU 5 HA LEU 5 0.779 3.434 0.904 41 1HB LEU 5 HB2 LEU 5 1.681 0.965 1.357 42 2HB LEU 5 HB1 LEU 5 0.152 0.809 2.213 43 HG LEU 5 HG LEU 5 -0.190 2.128 -0.377 44 1HD1 LEU 5 HD11 LEU 5 0.468 0.450 -1.860 45 2HD1 LEU 5 HD12 LEU 5 0.513 -0.787 -0.593 46 3HD1 LEU 5 HD13 LEU 5 1.792 0.429 -0.688 47 1HD2 LEU 5 HD21 LEU 5 -2.058 1.260 0.901 48 2HD2 LEU 5 HD22 LEU 5 -1.338 -0.350 0.939 49 3HD2 LEU 5 HD23 LEU 5 -1.919 0.320 -0.585 50 H ILE 6 HN ILE 6 -1.207 4.367 1.156 51 HA ILE 6 HA ILE 6 -2.451 4.337 3.864 52 HB ILE 6 HB ILE 6 -2.758 6.072 1.400 53 1HG1 ILE 6 HG12 ILE 6 -0.606 6.275 2.621 54 2HG1 ILE 6 HG11 ILE 6 -1.569 7.746 2.750 55 1HG2 ILE 6 HG21 ILE 6 -4.191 6.068 4.045 56 2HG2 ILE 6 HG22 ILE 6 -4.851 6.302 2.426 57 3HG2 ILE 6 HG23 ILE 6 -3.923 7.590 3.195 58 1HD1 ILE 6 HD11 ILE 6 -2.374 6.132 4.918 59 2HD1 ILE 6 HD12 ILE 6 -1.372 7.581 4.991 60 3HD1 ILE 6 HD13 ILE 6 -0.617 5.994 4.854 61 H ILE 7 HN ILE 7 -4.490 3.473 4.178 62 HA ILE 7 HA ILE 7 -5.666 1.890 1.968 63 HB ILE 7 HB ILE 7 -6.330 2.154 4.922 64 1HG1 ILE 7 HG12 ILE 7 -4.882 -0.102 3.514 65 2HG1 ILE 7 HG11 ILE 7 -4.028 1.245 4.268 66 1HG2 ILE 7 HG21 ILE 7 -7.406 -0.131 4.454 67 2HG2 ILE 7 HG22 ILE 7 -7.295 0.291 2.745 68 3HG2 ILE 7 HG23 ILE 7 -8.262 1.282 3.836 69 1HD1 ILE 7 HD11 ILE 7 -4.081 -0.210 6.060 70 2HD1 ILE 7 HD12 ILE 7 -5.590 -0.961 5.540 71 3HD1 ILE 7 HD13 ILE 7 -5.615 0.621 6.321 72 H ASN 8 HN ASN 8 -7.189 2.866 0.705 73 HA ASN 8 HA ASN 8 -8.897 5.014 1.912 74 1HB ASN 8 HB2 ASN 8 -7.647 4.492 -0.754 75 2HB ASN 8 HB1 ASN 8 -9.196 5.334 -0.739 76 1HD2 ASN 8 HD21 ASN 8 -6.944 6.750 -1.612 77 2HD2 ASN 8 HD22 ASN 8 -6.508 7.915 -0.445 78 H GLY 9 HN GLY 9 -9.708 2.478 2.527 79 1HA GLY 9 HA2 GLY 9 -11.576 1.462 0.503 80 2HA GLY 9 HA1 GLY 9 -11.346 0.806 2.129 81 H LYS 10 HN LYS 10 -13.845 1.581 0.653 82 HA LYS 10 HA LYS 10 -15.024 3.952 1.605 83 1HB LYS 10 HB2 LYS 10 -16.227 1.217 1.087 84 2HB LYS 10 HB1 LYS 10 -17.147 2.719 1.177 85 1HG LYS 10 HG2 LYS 10 -15.581 3.597 -0.662 86 2HG LYS 10 HG1 LYS 10 -15.084 1.918 -0.881 87 1HD LYS 10 HD2 LYS 10 -17.119 1.284 -1.747 88 2HD LYS 10 HD1 LYS 10 -18.013 2.465 -0.790 89 1HE LYS 10 HE2 LYS 10 -17.803 4.100 -2.383 90 2HE LYS 10 HE1 LYS 10 -16.155 3.602 -2.813 91 1HZ LYS 10 HZ1 LYS 10 -17.791 3.055 -4.557 92 2HZ LYS 10 HZ2 LYS 10 -18.608 2.053 -3.455 93 3HZ LYS 10 HZ3 LYS 10 -17.021 1.679 -3.933 94 H THR 11 HN THR 11 -14.584 0.841 3.223 95 HA THR 11 HA THR 11 -15.907 1.963 5.674 96 HB THR 11 HB THR 11 -15.438 -0.928 4.887 97 HG1 THR 11 HG1 THR 11 -16.836 -0.139 3.407 98 1HG2 THR 11 HG21 THR 11 -17.487 -1.071 6.529 99 2HG2 THR 11 HG22 THR 11 -16.893 0.490 7.094 100 3HG2 THR 11 HG23 THR 11 -15.854 -0.932 7.178 101 H LEU 12 HN LEU 12 -13.013 0.440 4.367 102 HA LEU 12 HA LEU 12 -11.763 0.470 7.091 103 1HB LEU 12 HB2 LEU 12 -11.089 -1.024 4.535 104 2HB LEU 12 HB1 LEU 12 -10.201 -1.173 6.051 105 HG LEU 12 HG LEU 12 -12.731 -1.613 6.939 106 1HD1 LEU 12 HD11 LEU 12 -13.203 -1.543 4.279 107 2HD1 LEU 12 HD12 LEU 12 -14.123 -2.562 5.384 108 3HD1 LEU 12 HD13 LEU 12 -12.790 -3.248 4.455 109 1HD2 LEU 12 HD21 LEU 12 -11.116 -3.169 7.574 110 2HD2 LEU 12 HD22 LEU 12 -10.565 -3.425 5.918 111 3HD2 LEU 12 HD23 LEU 12 -12.087 -4.132 6.460 112 H LYS 13 HN LYS 13 -9.829 1.615 7.379 113 HA LYS 13 HA LYS 13 -8.464 2.848 5.062 114 1HB LYS 13 HB2 LYS 13 -10.080 4.311 7.153 115 2HB LYS 13 HB1 LYS 13 -8.779 5.119 6.278 116 1HG LYS 13 HG2 LYS 13 -9.908 4.319 4.131 117 2HG LYS 13 HG1 LYS 13 -11.291 3.883 5.134 118 1HD LYS 13 HD2 LYS 13 -10.107 6.636 5.352 119 2HD LYS 13 HD1 LYS 13 -11.211 6.261 4.028 120 1HE LYS 13 HE2 LYS 13 -12.671 5.230 6.022 121 2HE LYS 13 HE1 LYS 13 -11.769 6.438 6.960 122 1HZ LYS 13 HZ1 LYS 13 -12.382 8.126 5.381 123 2HZ LYS 13 HZ2 LYS 13 -13.795 7.364 5.937 124 3HZ LYS 13 HZ3 LYS 13 -13.174 6.991 4.401 125 H GLY 14 HN GLY 14 -6.739 4.513 6.198 126 1HA GLY 14 HA2 GLY 14 -5.498 4.663 8.449 127 2HA GLY 14 HA1 GLY 14 -5.417 2.905 8.341 128 H GLU 15 HN GLU 15 -3.058 3.165 8.379 129 HA GLU 15 HA GLU 15 -1.973 3.615 5.641 130 1HB GLU 15 HB2 GLU 15 -0.170 5.018 6.618 131 2HB GLU 15 HB1 GLU 15 -1.759 5.731 6.888 132 1HG GLU 15 HG2 GLU 15 -0.960 5.897 9.036 133 2HG GLU 15 HG1 GLU 15 -1.578 4.249 9.131 134 H THR 16 HN THR 16 0.342 2.755 5.519 135 HA THR 16 HA THR 16 1.198 0.896 7.630 136 HB THR 16 HB THR 16 -0.635 -0.331 6.547 137 HG1 THR 16 HG1 THR 16 0.522 -2.154 6.153 138 1HG2 THR 16 HG21 THR 16 0.922 0.307 4.032 139 2HG2 THR 16 HG22 THR 16 -0.774 0.644 4.382 140 3HG2 THR 16 HG23 THR 16 -0.245 -1.015 4.103 141 H THR 17 HN THR 17 3.335 0.124 7.274 142 HA THR 17 HA THR 17 4.708 1.046 4.777 143 HB THR 17 HB THR 17 6.594 1.746 6.297 144 HG1 THR 17 HG1 THR 17 5.850 0.453 8.073 145 1HG2 THR 17 HG21 THR 17 3.879 3.047 6.543 146 2HG2 THR 17 HG22 THR 17 5.212 3.503 5.483 147 3HG2 THR 17 HG23 THR 17 5.336 3.774 7.221 148 H THR 18 HN THR 18 6.684 -0.195 4.330 149 HA THR 18 HA THR 18 7.063 -2.649 5.955 150 HB THR 18 HB THR 18 5.767 -2.376 3.333 151 HG1 THR 18 HG1 THR 18 5.023 -3.580 5.126 152 1HG2 THR 18 HG21 THR 18 8.061 -4.357 3.507 153 2HG2 THR 18 HG22 THR 18 8.007 -2.933 2.468 154 3HG2 THR 18 HG23 THR 18 6.867 -4.256 2.211 155 H GLU 19 HN GLU 19 9.159 -3.718 5.375 156 HA GLU 19 HA GLU 19 11.160 -1.749 4.309 157 1HB GLU 19 HB2 GLU 19 11.137 -2.354 6.795 158 2HB GLU 19 HB1 GLU 19 11.609 -3.983 6.308 159 1HG GLU 19 HG2 GLU 19 13.430 -2.568 4.907 160 2HG GLU 19 HG1 GLU 19 13.185 -1.460 6.258 161 H ALA 20 HN ALA 20 11.881 -2.446 2.329 162 HA ALA 20 HA ALA 20 12.660 -5.286 1.982 163 1HB ALA 20 HB1 ALA 20 11.251 -5.110 -0.245 164 2HB ALA 20 HB2 ALA 20 10.381 -3.858 0.644 165 3HB ALA 20 HB3 ALA 20 10.445 -5.506 1.273 166 H VAL 21 HN VAL 21 13.401 -5.465 -0.506 167 HA VAL 21 HA VAL 21 15.658 -3.732 -0.858 168 HB VAL 21 HB VAL 21 15.408 -6.050 -1.730 169 1HG1 VAL 21 HG11 VAL 21 12.977 -5.695 -2.437 170 2HG1 VAL 21 HG12 VAL 21 13.995 -6.605 -3.554 171 3HG1 VAL 21 HG13 VAL 21 13.629 -4.911 -3.877 172 1HG2 VAL 21 HG21 VAL 21 17.139 -4.883 -2.803 173 2HG2 VAL 21 HG22 VAL 21 16.016 -3.794 -3.617 174 3HG2 VAL 21 HG23 VAL 21 16.162 -5.469 -4.149 175 H ASP 22 HN ASP 22 12.437 -3.783 -2.293 176 HA ASP 22 HA ASP 22 12.716 -0.966 -3.162 177 1HB ASP 22 HB2 ASP 22 12.236 -3.379 -4.934 178 2HB ASP 22 HB1 ASP 22 12.050 -1.707 -5.488 179 H ALA 23 HN ALA 23 10.590 -0.063 -3.748 180 HA ALA 23 HA ALA 23 8.432 -0.920 -2.081 181 1HB ALA 23 HB1 ALA 23 8.338 1.317 -2.712 182 2HB ALA 23 HB2 ALA 23 7.195 0.632 -3.867 183 3HB ALA 23 HB3 ALA 23 8.851 0.976 -4.365 184 H ALA 24 HN ALA 24 9.349 -1.803 -5.358 185 HA ALA 24 HA ALA 24 6.883 -2.881 -6.308 186 1HB ALA 24 HB1 ALA 24 9.604 -4.083 -6.834 187 2HB ALA 24 HB2 ALA 24 9.194 -2.479 -7.443 188 3HB ALA 24 HB3 ALA 24 8.259 -3.883 -7.957 189 H THR 25 HN THR 25 9.557 -4.440 -4.520 190 HA THR 25 HA THR 25 8.291 -7.025 -4.293 191 HB THR 25 HB THR 25 10.505 -5.576 -2.803 192 HG1 THR 25 HG1 THR 25 11.241 -6.096 -4.739 193 1HG2 THR 25 HG21 THR 25 9.477 -7.299 -1.326 194 2HG2 THR 25 HG22 THR 25 11.123 -7.725 -1.805 195 3HG2 THR 25 HG23 THR 25 9.748 -8.507 -2.586 196 H ALA 26 HN ALA 26 8.617 -4.281 -1.999 197 HA ALA 26 HA ALA 26 7.148 -5.427 0.146 198 1HB ALA 26 HB1 ALA 26 8.438 -3.449 0.508 199 2HB ALA 26 HB2 ALA 26 6.759 -2.932 0.693 200 3HB ALA 26 HB3 ALA 26 7.632 -2.593 -0.807 201 H GLU 27 HN GLU 27 5.996 -3.066 -2.285 202 HA GLU 27 HA GLU 27 3.323 -2.841 -1.708 203 1HB GLU 27 HB2 GLU 27 4.583 -1.762 -3.561 204 2HB GLU 27 HB1 GLU 27 4.539 -3.282 -4.455 205 1HG GLU 27 HG2 GLU 27 1.957 -3.131 -4.113 206 2HG GLU 27 HG1 GLU 27 2.268 -1.427 -3.780 207 H LYS 28 HN LYS 28 4.810 -5.683 -3.266 208 HA LYS 28 HA LYS 28 2.360 -7.026 -3.988 209 1HB LYS 28 HB2 LYS 28 5.091 -8.101 -3.171 210 2HB LYS 28 HB1 LYS 28 3.857 -9.018 -4.034 211 1HG LYS 28 HG2 LYS 28 4.139 -7.811 -6.002 212 2HG LYS 28 HG1 LYS 28 4.772 -6.395 -5.163 213 1HD LYS 28 HD2 LYS 28 6.765 -7.205 -5.975 214 2HD LYS 28 HD1 LYS 28 6.686 -8.166 -4.498 215 1HE LYS 28 HE2 LYS 28 7.040 -9.856 -6.066 216 2HE LYS 28 HE1 LYS 28 5.266 -9.799 -6.082 217 1HZ LYS 28 HZ1 LYS 28 7.066 -8.254 -7.875 218 2HZ LYS 28 HZ2 LYS 28 5.368 -8.173 -7.871 219 3HZ LYS 28 HZ3 LYS 28 6.153 -9.609 -8.328 220 H VAL 29 HN VAL 29 4.433 -7.121 -1.097 221 HA VAL 29 HA VAL 29 2.796 -8.970 0.421 222 HB VAL 29 HB VAL 29 4.947 -6.911 1.009 223 1HG1 VAL 29 HG11 VAL 29 5.028 -7.696 3.339 224 2HG1 VAL 29 HG12 VAL 29 3.634 -8.738 3.051 225 3HG1 VAL 29 HG13 VAL 29 3.450 -6.982 2.991 226 1HG2 VAL 29 HG21 VAL 29 4.808 -9.937 1.129 227 2HG2 VAL 29 HG22 VAL 29 6.210 -8.986 1.620 228 3HG2 VAL 29 HG23 VAL 29 5.676 -8.967 -0.061 229 H LEU 30 HN LEU 30 2.904 -5.425 0.063 230 HA LEU 30 HA LEU 30 1.034 -4.828 2.151 231 1HB LEU 30 HB2 LEU 30 1.993 -3.462 -0.372 232 2HB LEU 30 HB1 LEU 30 0.786 -2.701 0.651 233 HG LEU 30 HG LEU 30 3.335 -2.143 0.988 234 1HD1 LEU 30 HD11 LEU 30 1.684 -1.200 2.432 235 2HD1 LEU 30 HD12 LEU 30 2.948 -1.888 3.459 236 3HD1 LEU 30 HD13 LEU 30 1.418 -2.748 3.238 237 1HD2 LEU 30 HD21 LEU 30 4.288 -3.542 2.862 238 2HD2 LEU 30 HD22 LEU 30 4.300 -4.287 1.278 239 3HD2 LEU 30 HD23 LEU 30 3.097 -4.766 2.471 240 H LYS 31 HN LYS 31 0.700 -5.810 -1.212 241 HA LYS 31 HA LYS 31 -2.116 -5.273 -1.573 242 1HB LYS 31 HB2 LYS 31 -0.127 -6.095 -3.175 243 2HB LYS 31 HB1 LYS 31 -0.711 -7.675 -2.713 244 1HG LYS 31 HG2 LYS 31 -2.591 -5.542 -3.728 245 2HG LYS 31 HG1 LYS 31 -1.745 -6.627 -4.830 246 1HD LYS 31 HD2 LYS 31 -3.599 -7.469 -2.578 247 2HD LYS 31 HD1 LYS 31 -3.970 -7.527 -4.300 248 1HE LYS 31 HE2 LYS 31 -1.512 -8.897 -4.019 249 2HE LYS 31 HE1 LYS 31 -2.546 -9.478 -2.694 250 1HZ LYS 31 HZ1 LYS 31 -3.372 -9.256 -5.546 251 2HZ LYS 31 HZ2 LYS 31 -4.338 -9.828 -4.271 252 3HZ LYS 31 HZ3 LYS 31 -2.967 -10.704 -4.761 253 H GLN 32 HN GLN 32 -0.259 -8.078 -0.445 254 HA GLN 32 HA GLN 32 -2.352 -9.922 0.037 255 1HB GLN 32 HB2 GLN 32 0.395 -9.387 1.018 256 2HB GLN 32 HB1 GLN 32 -0.600 -10.452 2.010 257 1HG GLN 32 HG2 GLN 32 -0.603 -10.935 -0.930 258 2HG GLN 32 HG1 GLN 32 0.849 -11.391 -0.036 259 1HE2 GLN 32 HE21 GLN 32 0.465 -13.694 -0.185 260 2HE2 GLN 32 HE22 GLN 32 -0.828 -14.448 0.634 261 H TYR 33 HN TYR 33 -1.085 -7.286 2.057 262 HA TYR 33 HA TYR 33 -2.711 -7.768 4.398 263 1HB TYR 33 HB2 TYR 33 -0.712 -6.349 4.384 264 2HB TYR 33 HB1 TYR 33 -1.454 -5.265 3.208 265 HD1 TYR 33 HD1 TYR 33 -1.742 -6.598 6.652 266 HD2 TYR 33 HD2 TYR 33 -2.947 -3.543 3.891 267 HE1 TYR 33 HE1 TYR 33 -2.803 -5.355 8.501 268 HE2 TYR 33 HE2 TYR 33 -4.006 -2.287 5.745 269 HH TYR 33 HH TYR 33 -3.398 -2.471 8.677 270 H ILE 34 HN ILE 34 -3.135 -5.825 1.458 271 HA ILE 34 HA ILE 34 -5.675 -4.642 2.132 272 HB ILE 34 HB ILE 34 -4.350 -5.334 -0.509 273 1HG1 ILE 34 HG12 ILE 34 -3.140 -3.842 1.226 274 2HG1 ILE 34 HG11 ILE 34 -3.284 -3.225 -0.415 275 1HG2 ILE 34 HG21 ILE 34 -5.782 -3.583 -1.490 276 2HG2 ILE 34 HG22 ILE 34 -6.582 -3.366 0.067 277 3HG2 ILE 34 HG23 ILE 34 -6.751 -4.889 -0.806 278 1HD1 ILE 34 HD11 ILE 34 -3.908 -1.733 1.714 279 2HD1 ILE 34 HD12 ILE 34 -5.459 -2.550 1.521 280 3HD1 ILE 34 HD13 ILE 34 -4.797 -1.592 0.197 281 H ASN 35 HN ASN 35 -4.704 -7.745 0.783 282 HA ASN 35 HA ASN 35 -7.156 -8.634 -0.348 283 1HB ASN 35 HB2 ASN 35 -4.825 -9.649 -0.453 284 2HB ASN 35 HB1 ASN 35 -5.122 -10.298 1.160 285 1HD2 ASN 35 HD21 ASN 35 -4.832 -11.749 -1.500 286 2HD2 ASN 35 HD22 ASN 35 -6.246 -12.678 -1.641 287 H ASP 36 HN ASP 36 -6.098 -8.427 3.001 288 HA ASP 36 HA ASP 36 -8.212 -10.131 4.080 289 1HB ASP 36 HB2 ASP 36 -6.058 -8.304 5.093 290 2HB ASP 36 HB1 ASP 36 -7.328 -8.811 6.208 291 H ASN 37 HN ASN 37 -7.630 -6.605 3.930 292 HA ASN 37 HA ASN 37 -10.128 -5.879 5.211 293 1HB ASN 37 HB2 ASN 37 -8.122 -4.424 3.460 294 2HB ASN 37 HB1 ASN 37 -9.481 -3.616 4.249 295 1HD2 ASN 37 HD21 ASN 37 -8.376 -2.426 5.867 296 2HD2 ASN 37 HD22 ASN 37 -7.401 -3.148 7.066 297 H GLY 38 HN GLY 38 -9.158 -6.551 1.897 298 1HA GLY 38 HA2 GLY 38 -10.568 -7.016 0.050 299 2HA GLY 38 HA1 GLY 38 -11.961 -6.597 1.048 300 H ILE 39 HN ILE 39 -9.185 -4.474 0.710 301 HA ILE 39 HA ILE 39 -10.941 -2.522 -0.740 302 HB ILE 39 HB ILE 39 -8.538 -2.132 1.079 303 1HG1 ILE 39 HG12 ILE 39 -10.526 -2.955 2.287 304 2HG1 ILE 39 HG11 ILE 39 -10.204 -1.269 2.697 305 1HG2 ILE 39 HG21 ILE 39 -9.477 0.278 1.059 306 2HG2 ILE 39 HG22 ILE 39 -10.341 -0.215 -0.398 307 3HG2 ILE 39 HG23 ILE 39 -8.578 -0.258 -0.360 308 1HD1 ILE 39 HD11 ILE 39 -12.384 -0.911 2.182 309 2HD1 ILE 39 HD12 ILE 39 -12.526 -2.452 1.337 310 3HD1 ILE 39 HD13 ILE 39 -11.873 -1.044 0.500 311 H ASP 40 HN ASP 40 -10.155 -3.804 -2.725 312 HA ASP 40 HA ASP 40 -7.436 -2.862 -3.584 313 1HB ASP 40 HB2 ASP 40 -7.726 -5.316 -3.272 314 2HB ASP 40 HB1 ASP 40 -9.051 -5.288 -4.441 315 H GLY 41 HN GLY 41 -7.955 -0.997 -4.749 316 1HA GLY 41 HA2 GLY 41 -9.820 -1.370 -7.054 317 2HA GLY 41 HA1 GLY 41 -9.907 0.088 -6.060 318 H GLU 42 HN GLU 42 -8.081 1.561 -6.104 319 HA GLU 42 HA GLU 42 -6.210 1.154 -8.412 320 1HB GLU 42 HB2 GLU 42 -8.309 3.153 -7.925 321 2HB GLU 42 HB1 GLU 42 -6.748 3.882 -8.298 322 1HG GLU 42 HG2 GLU 42 -6.689 3.012 -10.430 323 2HG GLU 42 HG1 GLU 42 -7.629 1.586 -9.989 324 H TRP 43 HN TRP 43 -4.144 1.275 -7.653 325 HA TRP 43 HA TRP 43 -3.587 2.714 -5.104 326 1HB TRP 43 HB2 TRP 43 -2.018 0.807 -6.870 327 2HB TRP 43 HB1 TRP 43 -1.355 1.550 -5.426 328 HD1 TRP 43 HD1 TRP 43 -4.994 0.311 -5.443 329 HE1 TRP 43 HE1 TRP 43 -5.161 -1.719 -3.884 330 HE3 TRP 43 HE3 TRP 43 -0.067 -0.353 -4.353 331 HZ2 TRP 43 HZ2 TRP 43 -3.442 -3.384 -2.337 332 HZ3 TRP 43 HZ3 TRP 43 0.641 -2.161 -2.804 333 HH2 TRP 43 HH2 TRP 43 -1.032 -3.669 -1.800 334 H THR 44 HN THR 44 -1.565 4.073 -5.083 335 HA THR 44 HA THR 44 -0.656 5.142 -7.686 336 HB THR 44 HB THR 44 -1.240 7.460 -7.001 337 HG1 THR 44 HG1 THR 44 -2.606 7.716 -5.219 338 1HG2 THR 44 HG21 THR 44 -2.794 5.936 -8.356 339 2HG2 THR 44 HG22 THR 44 -3.540 7.336 -7.585 340 3HG2 THR 44 HG23 THR 44 -3.715 5.735 -6.865 341 H TYR 45 HN TYR 45 1.496 5.585 -7.518 342 HA TYR 45 HA TYR 45 2.821 5.329 -4.903 343 1HB TYR 45 HB2 TYR 45 3.723 4.232 -6.888 344 2HB TYR 45 HB1 TYR 45 3.770 5.762 -7.761 345 HD1 TYR 45 HD1 TYR 45 5.181 3.978 -4.799 346 HD2 TYR 45 HD2 TYR 45 5.640 7.204 -7.595 347 HE1 TYR 45 HE1 TYR 45 7.456 4.419 -3.915 348 HE2 TYR 45 HE2 TYR 45 7.915 7.647 -6.713 349 HH TYR 45 HH TYR 45 9.045 7.056 -4.169 350 H ASP 46 HN ASP 46 4.557 7.020 -4.357 351 HA ASP 46 HA ASP 46 3.904 9.773 -5.312 352 1HB ASP 46 HB2 ASP 46 4.120 8.955 -2.391 353 2HB ASP 46 HB1 ASP 46 3.728 10.558 -3.005 354 H ASP 47 HN ASP 47 5.791 10.835 -5.752 355 HA ASP 47 HA ASP 47 8.376 9.630 -5.176 356 1HB ASP 47 HB2 ASP 47 7.229 11.943 -6.624 357 2HB ASP 47 HB1 ASP 47 8.884 12.166 -6.057 358 H ALA 48 HN ALA 48 6.309 11.482 -3.228 359 HA ALA 48 HA ALA 48 7.991 13.346 -1.917 360 1HB ALA 48 HB1 ALA 48 5.739 13.477 -1.354 361 2HB ALA 48 HB2 ALA 48 6.342 12.592 0.048 362 3HB ALA 48 HB3 ALA 48 5.554 11.722 -1.273 363 H THR 49 HN THR 49 7.043 10.229 -0.469 364 HA THR 49 HA THR 49 9.867 9.791 0.422 365 HB THR 49 HB THR 49 8.552 10.942 2.188 366 HG1 THR 49 HG1 THR 49 10.056 9.429 2.874 367 1HG2 THR 49 HG21 THR 49 6.612 9.728 3.192 368 2HG2 THR 49 HG22 THR 49 6.724 8.545 1.885 369 3HG2 THR 49 HG23 THR 49 6.316 10.222 1.522 370 H LYS 50 HN LYS 50 8.431 8.521 -1.721 371 HA LYS 50 HA LYS 50 7.927 6.387 -2.547 372 1HB LYS 50 HB2 LYS 50 9.363 5.567 -0.001 373 2HB LYS 50 HB1 LYS 50 9.094 4.536 -1.404 374 1HG LYS 50 HG2 LYS 50 10.279 6.525 -2.691 375 2HG LYS 50 HG1 LYS 50 10.951 6.866 -1.096 376 1HD LYS 50 HD2 LYS 50 12.538 5.360 -1.793 377 2HD LYS 50 HD1 LYS 50 11.360 4.206 -1.166 378 1HE LYS 50 HE2 LYS 50 10.762 3.478 -3.263 379 2HE LYS 50 HE1 LYS 50 10.960 5.087 -3.985 380 1HZ LYS 50 HZ1 LYS 50 12.760 3.711 -4.723 381 2HZ LYS 50 HZ2 LYS 50 13.124 3.237 -3.132 382 3HZ LYS 50 HZ3 LYS 50 13.382 4.843 -3.624 383 H THR 51 HN THR 51 5.754 7.516 -1.408 384 HA THR 51 HA THR 51 4.585 5.581 0.534 385 HB THR 51 HB THR 51 3.437 8.138 -0.634 386 HG1 THR 51 HG1 THR 51 4.879 7.814 1.780 387 1HG2 THR 51 HG21 THR 51 1.658 7.253 0.497 388 2HG2 THR 51 HG22 THR 51 2.489 7.941 1.892 389 3HG2 THR 51 HG23 THR 51 2.677 6.230 1.509 390 H TRP 52 HN TRP 52 2.177 5.034 -0.006 391 HA TRP 52 HA TRP 52 1.778 4.640 -2.948 392 1HB TRP 52 HB2 TRP 52 1.814 2.654 -0.682 393 2HB TRP 52 HB1 TRP 52 0.911 2.329 -2.154 394 HD1 TRP 52 HD1 TRP 52 4.420 2.472 -0.784 395 HE1 TRP 52 HE1 TRP 52 6.067 1.689 -2.612 396 HE3 TRP 52 HE3 TRP 52 1.256 2.278 -4.734 397 HZ2 TRP 52 HZ2 TRP 52 6.022 1.054 -5.417 398 HZ3 TRP 52 HZ3 TRP 52 2.055 1.581 -6.985 399 HH2 TRP 52 HH2 TRP 52 4.436 0.967 -7.326 400 H THR 53 HN THR 53 -0.584 3.357 -2.973 401 HA THR 53 HA THR 53 -2.484 4.503 -1.038 402 HB THR 53 HB THR 53 -2.779 5.191 -3.965 403 HG1 THR 53 HG1 THR 53 -1.544 6.896 -3.701 404 1HG2 THR 53 HG21 THR 53 -4.805 5.640 -2.954 405 2HG2 THR 53 HG22 THR 53 -3.981 7.171 -2.660 406 3HG2 THR 53 HG23 THR 53 -4.070 5.958 -1.383 407 H VAL 54 HN VAL 54 -4.809 3.860 -1.785 408 HA VAL 54 HA VAL 54 -5.156 1.679 -3.659 409 HB VAL 54 HB VAL 54 -3.849 0.451 -2.022 410 1HG1 VAL 54 HG11 VAL 54 -5.115 0.368 0.367 411 2HG1 VAL 54 HG12 VAL 54 -5.497 2.017 -0.127 412 3HG1 VAL 54 HG13 VAL 54 -3.818 1.501 -0.005 413 1HG2 VAL 54 HG21 VAL 54 -6.571 -0.373 -1.117 414 2HG2 VAL 54 HG22 VAL 54 -5.246 -1.361 -1.738 415 3HG2 VAL 54 HG23 VAL 54 -6.250 -0.424 -2.851 416 H THR 55 HN THR 55 -6.877 3.322 -4.060 417 HA THR 55 HA THR 55 -9.011 3.626 -2.052 418 HB THR 55 HB THR 55 -9.041 4.456 -4.959 419 HG1 THR 55 HG1 THR 55 -7.579 5.919 -4.563 420 1HG2 THR 55 HG21 THR 55 -10.008 5.996 -2.557 421 2HG2 THR 55 HG22 THR 55 -11.008 4.740 -3.288 422 3HG2 THR 55 HG23 THR 55 -10.518 6.142 -4.239 423 H GLU 56 HN GLU 56 -10.793 2.313 -1.949 424 HA GLU 56 HA GLU 56 -11.090 -0.055 -3.528 425 1HB GLU 56 HB2 GLU 56 -12.014 0.548 -1.212 426 2HB GLU 56 HB1 GLU 56 -13.284 1.432 -2.060 427 1HG GLU 56 HG2 GLU 56 -12.745 -1.367 -2.940 428 2HG GLU 56 HG1 GLU 56 -13.567 -1.148 -1.394 Start of MODEL 27 1 1H THR 1 HT1 THR 1 14.132 5.820 3.675 2 2H THR 1 HT2 THR 1 13.941 7.411 4.238 3 3H THR 1 HT3 THR 1 12.981 6.838 2.959 4 HA THR 1 HA THR 1 12.871 5.959 5.799 5 HB THR 1 HB THR 1 10.878 7.320 3.958 6 HG1 THR 1 HG1 THR 1 11.430 9.181 5.068 7 1HG2 THR 1 HG21 THR 1 9.882 7.863 6.290 8 2HG2 THR 1 HG22 THR 1 10.900 6.545 6.869 9 3HG2 THR 1 HG23 THR 1 9.660 6.232 5.655 10 H THR 2 HN THR 2 11.256 4.289 6.178 11 HA THR 2 HA THR 2 11.278 2.102 4.340 12 HB THR 2 HB THR 2 9.152 2.611 6.427 13 HG1 THR 2 HG1 THR 2 10.770 1.773 7.897 14 1HG2 THR 2 HG21 THR 2 10.439 0.267 5.112 15 2HG2 THR 2 HG22 THR 2 8.760 0.501 5.599 16 3HG2 THR 2 HG23 THR 2 9.981 0.093 6.806 17 H PHE 3 HN PHE 3 9.410 1.186 3.186 18 HA PHE 3 HA PHE 3 8.089 3.041 1.462 19 1HB PHE 3 HB2 PHE 3 7.433 0.161 2.176 20 2HB PHE 3 HB1 PHE 3 6.860 1.008 0.740 21 HD1 PHE 3 HD1 PHE 3 9.157 2.496 -0.212 22 HD2 PHE 3 HD2 PHE 3 9.020 -1.436 1.517 23 HE1 PHE 3 HE1 PHE 3 11.250 1.900 -1.399 24 HE2 PHE 3 HE2 PHE 3 11.113 -2.029 0.329 25 HZ PHE 3 HZ PHE 3 12.229 -0.362 -1.127 26 H LYS 4 HN LYS 4 5.612 3.125 1.268 27 HA LYS 4 HA LYS 4 4.152 2.923 3.846 28 1HB LYS 4 HB2 LYS 4 5.314 5.095 3.875 29 2HB LYS 4 HB1 LYS 4 4.646 5.496 2.313 30 1HG LYS 4 HG2 LYS 4 3.269 6.614 3.902 31 2HG LYS 4 HG1 LYS 4 2.338 5.222 3.354 32 1HD LYS 4 HD2 LYS 4 2.908 3.974 5.338 33 2HD LYS 4 HD1 LYS 4 4.055 5.215 5.848 34 1HE LYS 4 HE2 LYS 4 2.296 6.799 6.267 35 2HE LYS 4 HE1 LYS 4 1.093 5.764 5.469 36 1HZ LYS 4 HZ1 LYS 4 1.066 5.507 7.903 37 2HZ LYS 4 HZ2 LYS 4 2.686 4.997 7.862 38 3HZ LYS 4 HZ3 LYS 4 1.479 4.062 7.117 39 H LEU 5 HN LEU 5 1.862 2.947 3.538 40 HA LEU 5 HA LEU 5 0.756 3.414 0.839 41 1HB LEU 5 HB2 LEU 5 1.679 0.955 1.223 42 2HB LEU 5 HB1 LEU 5 0.183 0.763 2.125 43 HG LEU 5 HG LEU 5 -0.220 2.109 -0.453 44 1HD1 LEU 5 HD11 LEU 5 0.373 0.421 -1.939 45 2HD1 LEU 5 HD12 LEU 5 0.357 -0.827 -0.682 46 3HD1 LEU 5 HD13 LEU 5 1.698 0.318 -0.774 47 1HD2 LEU 5 HD21 LEU 5 -2.094 1.336 0.841 48 2HD2 LEU 5 HD22 LEU 5 -1.411 -0.286 0.969 49 3HD2 LEU 5 HD23 LEU 5 -1.992 0.305 -0.587 50 H ILE 6 HN ILE 6 -1.118 4.494 1.194 51 HA ILE 6 HA ILE 6 -2.446 4.304 3.847 52 HB ILE 6 HB ILE 6 -2.577 6.160 1.460 53 1HG1 ILE 6 HG12 ILE 6 -0.581 6.274 2.950 54 2HG1 ILE 6 HG11 ILE 6 -1.537 7.756 2.998 55 1HG2 ILE 6 HG21 ILE 6 -4.231 6.170 3.996 56 2HG2 ILE 6 HG22 ILE 6 -4.807 6.205 2.329 57 3HG2 ILE 6 HG23 ILE 6 -3.997 7.615 3.011 58 1HD1 ILE 6 HD11 ILE 6 -0.856 5.969 5.156 59 2HD1 ILE 6 HD12 ILE 6 -2.609 6.052 4.993 60 3HD1 ILE 6 HD13 ILE 6 -1.675 7.528 5.234 61 H ILE 7 HN ILE 7 -4.438 3.335 4.080 62 HA ILE 7 HA ILE 7 -5.596 1.923 1.753 63 HB ILE 7 HB ILE 7 -6.286 1.964 4.712 64 1HG1 ILE 7 HG12 ILE 7 -4.781 -0.150 3.147 65 2HG1 ILE 7 HG11 ILE 7 -3.967 1.138 4.037 66 1HG2 ILE 7 HG21 ILE 7 -7.242 -0.365 3.961 67 2HG2 ILE 7 HG22 ILE 7 -7.283 0.376 2.361 68 3HG2 ILE 7 HG23 ILE 7 -8.199 1.091 3.688 69 1HD1 ILE 7 HD11 ILE 7 -5.622 -1.136 5.098 70 2HD1 ILE 7 HD12 ILE 7 -5.475 0.353 6.031 71 3HD1 ILE 7 HD13 ILE 7 -4.034 -0.579 5.625 72 H ASN 8 HN ASN 8 -6.965 3.155 0.518 73 HA ASN 8 HA ASN 8 -8.788 5.101 1.880 74 1HB ASN 8 HB2 ASN 8 -7.526 4.817 -0.836 75 2HB ASN 8 HB1 ASN 8 -9.001 5.769 -0.669 76 1HD2 ASN 8 HD21 ASN 8 -7.402 7.583 -1.328 77 2HD2 ASN 8 HD22 ASN 8 -6.540 8.348 -0.072 78 H GLY 9 HN GLY 9 -9.640 2.549 2.248 79 1HA GLY 9 HA2 GLY 9 -11.356 1.657 0.048 80 2HA GLY 9 HA1 GLY 9 -11.253 0.915 1.650 81 H LYS 10 HN LYS 10 -13.677 1.539 0.198 82 HA LYS 10 HA LYS 10 -14.984 3.914 0.967 83 1HB LYS 10 HB2 LYS 10 -16.051 1.102 0.580 84 2HB LYS 10 HB1 LYS 10 -17.036 2.565 0.551 85 1HG LYS 10 HG2 LYS 10 -15.483 3.404 -1.301 86 2HG LYS 10 HG1 LYS 10 -14.856 1.757 -1.386 87 1HD LYS 10 HD2 LYS 10 -16.951 0.872 -2.048 88 2HD LYS 10 HD1 LYS 10 -17.816 2.327 -1.551 89 1HE LYS 10 HE2 LYS 10 -16.191 3.460 -3.358 90 2HE LYS 10 HE1 LYS 10 -16.244 1.823 -4.042 91 1HZ LYS 10 HZ1 LYS 10 -18.689 1.896 -3.773 92 2HZ LYS 10 HZ2 LYS 10 -18.109 3.047 -4.881 93 3HZ LYS 10 HZ3 LYS 10 -18.569 3.525 -3.317 94 H THR 11 HN THR 11 -14.489 0.905 2.764 95 HA THR 11 HA THR 11 -15.815 2.170 5.144 96 HB THR 11 HB THR 11 -15.513 -0.784 4.548 97 HG1 THR 11 HG1 THR 11 -17.067 -0.579 3.177 98 1HG2 THR 11 HG21 THR 11 -16.051 0.147 6.893 99 2HG2 THR 11 HG22 THR 11 -17.129 -1.090 6.247 100 3HG2 THR 11 HG23 THR 11 -17.611 0.605 6.210 101 H LEU 12 HN LEU 12 -13.221 -0.035 4.065 102 HA LEU 12 HA LEU 12 -11.909 0.082 6.717 103 1HB LEU 12 HB2 LEU 12 -11.334 -1.317 4.088 104 2HB LEU 12 HB1 LEU 12 -10.335 -1.504 5.530 105 HG LEU 12 HG LEU 12 -13.296 -1.932 5.744 106 1HD1 LEU 12 HD11 LEU 12 -11.460 -4.209 5.048 107 2HD1 LEU 12 HD12 LEU 12 -12.186 -3.246 3.761 108 3HD1 LEU 12 HD13 LEU 12 -13.215 -4.113 4.901 109 1HD2 LEU 12 HD21 LEU 12 -10.909 -3.267 7.060 110 2HD2 LEU 12 HD22 LEU 12 -12.600 -3.436 7.532 111 3HD2 LEU 12 HD23 LEU 12 -11.778 -1.890 7.739 112 H LYS 13 HN LYS 13 -10.132 1.358 7.146 113 HA LYS 13 HA LYS 13 -8.646 2.617 4.892 114 1HB LYS 13 HB2 LYS 13 -10.434 3.899 6.901 115 2HB LYS 13 HB1 LYS 13 -8.931 4.745 6.531 116 1HG LYS 13 HG2 LYS 13 -9.474 4.936 4.230 117 2HG LYS 13 HG1 LYS 13 -10.751 3.724 4.348 118 1HD LYS 13 HD2 LYS 13 -12.049 5.632 4.404 119 2HD LYS 13 HD1 LYS 13 -11.722 5.460 6.129 120 1HE LYS 13 HE2 LYS 13 -10.350 7.298 6.181 121 2HE LYS 13 HE1 LYS 13 -9.676 6.959 4.574 122 1HZ LYS 13 HZ1 LYS 13 -12.477 7.834 5.018 123 2HZ LYS 13 HZ2 LYS 13 -11.651 7.719 3.537 124 3HZ LYS 13 HZ3 LYS 13 -11.217 8.913 4.664 125 H GLY 14 HN GLY 14 -6.869 4.140 6.124 126 1HA GLY 14 HA2 GLY 14 -5.649 4.088 8.405 127 2HA GLY 14 HA1 GLY 14 -5.583 2.347 8.132 128 H GLU 15 HN GLU 15 -3.228 2.551 8.180 129 HA GLU 15 HA GLU 15 -2.130 3.215 5.498 130 1HB GLU 15 HB2 GLU 15 -0.375 4.611 6.559 131 2HB GLU 15 HB1 GLU 15 -1.982 5.259 6.876 132 1HG GLU 15 HG2 GLU 15 -1.765 3.661 9.024 133 2HG GLU 15 HG1 GLU 15 -0.052 3.980 8.754 134 H THR 16 HN THR 16 0.306 2.504 5.478 135 HA THR 16 HA THR 16 1.151 0.536 7.459 136 HB THR 16 HB THR 16 -0.651 -0.691 6.326 137 HG1 THR 16 HG1 THR 16 0.550 -2.402 6.335 138 1HG2 THR 16 HG21 THR 16 -0.789 0.370 4.196 139 2HG2 THR 16 HG22 THR 16 -0.254 -1.277 3.867 140 3HG2 THR 16 HG23 THR 16 0.910 0.050 3.839 141 H THR 17 HN THR 17 3.308 -0.100 7.140 142 HA THR 17 HA THR 17 4.690 0.902 4.675 143 HB THR 17 HB THR 17 6.519 1.642 6.192 144 HG1 THR 17 HG1 THR 17 6.472 1.026 8.182 145 1HG2 THR 17 HG21 THR 17 4.994 3.367 5.598 146 2HG2 THR 17 HG22 THR 17 5.173 3.491 7.348 147 3HG2 THR 17 HG23 THR 17 3.740 2.728 6.660 148 H THR 18 HN THR 18 6.703 -0.297 4.227 149 HA THR 18 HA THR 18 7.126 -2.773 5.795 150 HB THR 18 HB THR 18 5.721 -2.515 3.240 151 HG1 THR 18 HG1 THR 18 5.416 -4.814 3.793 152 1HG2 THR 18 HG21 THR 18 7.959 -2.988 2.279 153 2HG2 THR 18 HG22 THR 18 6.823 -4.312 2.007 154 3HG2 THR 18 HG23 THR 18 8.060 -4.453 3.257 155 H GLU 19 HN GLU 19 9.236 -3.741 5.311 156 HA GLU 19 HA GLU 19 11.177 -1.788 4.120 157 1HB GLU 19 HB2 GLU 19 11.249 -2.362 6.601 158 2HB GLU 19 HB1 GLU 19 11.674 -4.007 6.128 159 1HG GLU 19 HG2 GLU 19 13.480 -2.673 4.649 160 2HG GLU 19 HG1 GLU 19 13.290 -1.511 5.963 161 H ALA 20 HN ALA 20 11.854 -2.485 2.124 162 HA ALA 20 HA ALA 20 12.603 -5.337 1.762 163 1HB ALA 20 HB1 ALA 20 11.161 -4.883 -0.515 164 2HB ALA 20 HB2 ALA 20 10.242 -3.935 0.656 165 3HB ALA 20 HB3 ALA 20 10.500 -5.660 0.924 166 H VAL 21 HN VAL 21 13.391 -5.547 -0.675 167 HA VAL 21 HA VAL 21 15.652 -3.846 -1.048 168 HB VAL 21 HB VAL 21 15.767 -5.006 -3.247 169 1HG1 VAL 21 HG11 VAL 21 15.285 -7.410 -2.144 170 2HG1 VAL 21 HG12 VAL 21 15.233 -6.424 -0.683 171 3HG1 VAL 21 HG13 VAL 21 16.679 -6.429 -1.692 172 1HG2 VAL 21 HG21 VAL 21 13.770 -6.821 -3.362 173 2HG2 VAL 21 HG22 VAL 21 13.673 -5.257 -4.168 174 3HG2 VAL 21 HG23 VAL 21 12.894 -5.491 -2.605 175 H ASP 22 HN ASP 22 12.340 -3.621 -2.211 176 HA ASP 22 HA ASP 22 12.739 -0.836 -3.033 177 1HB ASP 22 HB2 ASP 22 13.653 -2.128 -4.936 178 2HB ASP 22 HB1 ASP 22 12.137 -3.022 -5.057 179 H ALA 23 HN ALA 23 10.648 0.154 -3.632 180 HA ALA 23 HA ALA 23 8.448 -0.721 -2.032 181 1HB ALA 23 HB1 ALA 23 7.371 0.927 -3.961 182 2HB ALA 23 HB2 ALA 23 9.081 1.348 -4.037 183 3HB ALA 23 HB3 ALA 23 8.203 1.496 -2.515 184 H ALA 24 HN ALA 24 9.363 -1.456 -5.348 185 HA ALA 24 HA ALA 24 6.868 -2.423 -6.352 186 1HB ALA 24 HB1 ALA 24 9.786 -2.994 -6.867 187 2HB ALA 24 HB2 ALA 24 8.639 -2.127 -7.887 188 3HB ALA 24 HB3 ALA 24 8.538 -3.882 -7.741 189 H THR 25 HN THR 25 9.524 -4.145 -4.694 190 HA THR 25 HA THR 25 8.220 -6.713 -4.600 191 HB THR 25 HB THR 25 10.441 -5.373 -3.021 192 HG1 THR 25 HG1 THR 25 11.705 -6.718 -4.328 193 1HG2 THR 25 HG21 THR 25 9.388 -7.158 -1.641 194 2HG2 THR 25 HG22 THR 25 11.029 -7.583 -2.139 195 3HG2 THR 25 HG23 THR 25 9.644 -8.302 -2.963 196 H ALA 26 HN ALA 26 8.544 -4.082 -2.187 197 HA ALA 26 HA ALA 26 7.091 -5.311 -0.083 198 1HB ALA 26 HB1 ALA 26 6.689 -2.853 0.567 199 2HB ALA 26 HB2 ALA 26 7.514 -2.435 -0.940 200 3HB ALA 26 HB3 ALA 26 8.373 -3.326 0.316 201 H GLU 27 HN GLU 27 5.884 -2.850 -2.387 202 HA GLU 27 HA GLU 27 3.214 -2.702 -1.787 203 1HB GLU 27 HB2 GLU 27 4.431 -1.506 -3.590 204 2HB GLU 27 HB1 GLU 27 4.427 -2.979 -4.558 205 1HG GLU 27 HG2 GLU 27 1.807 -2.857 -4.098 206 2HG GLU 27 HG1 GLU 27 2.161 -1.143 -3.890 207 H LYS 28 HN LYS 28 4.721 -5.431 -3.524 208 HA LYS 28 HA LYS 28 2.286 -6.769 -4.289 209 1HB LYS 28 HB2 LYS 28 5.034 -7.857 -3.551 210 2HB LYS 28 HB1 LYS 28 3.806 -8.733 -4.463 211 1HG LYS 28 HG2 LYS 28 4.072 -7.412 -6.357 212 2HG LYS 28 HG1 LYS 28 4.683 -6.036 -5.439 213 1HD LYS 28 HD2 LYS 28 6.696 -6.749 -6.265 214 2HD LYS 28 HD1 LYS 28 6.618 -7.842 -4.882 215 1HE LYS 28 HE2 LYS 28 5.704 -9.624 -6.264 216 2HE LYS 28 HE1 LYS 28 5.584 -8.530 -7.657 217 1HZ LYS 28 HZ1 LYS 28 8.092 -9.206 -6.210 218 2HZ LYS 28 HZ2 LYS 28 7.965 -8.166 -7.548 219 3HZ LYS 28 HZ3 LYS 28 7.641 -9.825 -7.723 220 H VAL 29 HN VAL 29 4.368 -6.979 -1.411 221 HA VAL 29 HA VAL 29 2.754 -8.936 0.003 222 HB VAL 29 HB VAL 29 4.906 -6.912 0.696 223 1HG1 VAL 29 HG11 VAL 29 3.423 -7.105 2.681 224 2HG1 VAL 29 HG12 VAL 29 5.005 -7.834 2.974 225 3HG1 VAL 29 HG13 VAL 29 3.612 -8.861 2.634 226 1HG2 VAL 29 HG21 VAL 29 5.216 -9.212 -0.531 227 2HG2 VAL 29 HG22 VAL 29 5.028 -9.887 1.087 228 3HG2 VAL 29 HG23 VAL 29 6.337 -8.754 0.751 229 H LEU 30 HN LEU 30 2.848 -5.375 -0.147 230 HA LEU 30 HA LEU 30 0.995 -4.908 1.989 231 1HB LEU 30 HB2 LEU 30 1.913 -3.398 -0.467 232 2HB LEU 30 HB1 LEU 30 0.715 -2.704 0.613 233 HG LEU 30 HG LEU 30 3.264 -2.143 0.944 234 1HD1 LEU 30 HD11 LEU 30 1.632 -1.290 2.460 235 2HD1 LEU 30 HD12 LEU 30 2.908 -2.032 3.434 236 3HD1 LEU 30 HD13 LEU 30 1.378 -2.883 3.180 237 1HD2 LEU 30 HD21 LEU 30 4.253 -3.633 2.727 238 2HD2 LEU 30 HD22 LEU 30 4.250 -4.291 1.104 239 3HD2 LEU 30 HD23 LEU 30 3.066 -4.845 2.285 240 H LYS 31 HN LYS 31 0.635 -5.683 -1.426 241 HA LYS 31 HA LYS 31 -2.184 -5.152 -1.740 242 1HB LYS 31 HB2 LYS 31 -0.197 -5.885 -3.389 243 2HB LYS 31 HB1 LYS 31 -0.777 -7.488 -3.006 244 1HG LYS 31 HG2 LYS 31 -2.666 -5.310 -3.905 245 2HG LYS 31 HG1 LYS 31 -1.819 -6.334 -5.064 246 1HD LYS 31 HD2 LYS 31 -3.663 -7.298 -2.852 247 2HD LYS 31 HD1 LYS 31 -4.040 -7.268 -4.574 248 1HE LYS 31 HE2 LYS 31 -1.577 -8.642 -4.372 249 2HE LYS 31 HE1 LYS 31 -2.605 -9.296 -3.076 250 1HZ LYS 31 HZ1 LYS 31 -3.149 -10.472 -5.062 251 2HZ LYS 31 HZ2 LYS 31 -3.287 -9.036 -5.959 252 3HZ LYS 31 HZ3 LYS 31 -4.430 -9.404 -4.758 253 H GLN 32 HN GLN 32 -0.312 -8.003 -0.762 254 HA GLN 32 HA GLN 32 -2.406 -9.872 -0.367 255 1HB GLN 32 HB2 GLN 32 0.356 -9.399 0.603 256 2HB GLN 32 HB1 GLN 32 -0.629 -10.512 1.552 257 1HG GLN 32 HG2 GLN 32 -1.226 -11.552 -0.779 258 2HG GLN 32 HG1 GLN 32 0.252 -10.745 -1.307 259 1HE2 GLN 32 HE21 GLN 32 2.264 -11.255 0.066 260 2HE2 GLN 32 HE22 GLN 32 2.392 -12.824 0.722 261 H TYR 33 HN TYR 33 -1.105 -7.360 1.787 262 HA TYR 33 HA TYR 33 -2.698 -7.969 4.119 263 1HB TYR 33 HB2 TYR 33 -0.704 -6.545 4.157 264 2HB TYR 33 HB1 TYR 33 -1.461 -5.403 3.047 265 HD1 TYR 33 HD1 TYR 33 -1.683 -6.897 6.425 266 HD2 TYR 33 HD2 TYR 33 -2.978 -3.737 3.827 267 HE1 TYR 33 HE1 TYR 33 -2.728 -5.755 8.346 268 HE2 TYR 33 HE2 TYR 33 -4.020 -2.581 5.755 269 HH TYR 33 HH TYR 33 -3.439 -3.542 9.011 270 H ILE 34 HN ILE 34 -3.171 -5.864 1.301 271 HA ILE 34 HA ILE 34 -5.698 -4.722 2.074 272 HB ILE 34 HB ILE 34 -4.426 -5.288 -0.622 273 1HG1 ILE 34 HG12 ILE 34 -3.174 -3.882 1.146 274 2HG1 ILE 34 HG11 ILE 34 -3.370 -3.177 -0.454 275 1HG2 ILE 34 HG21 ILE 34 -6.812 -4.835 -0.887 276 2HG2 ILE 34 HG22 ILE 34 -5.871 -3.460 -1.466 277 3HG2 ILE 34 HG23 ILE 34 -6.666 -3.384 0.106 278 1HD1 ILE 34 HD11 ILE 34 -3.902 -1.756 1.704 279 2HD1 ILE 34 HD12 ILE 34 -5.435 -2.628 1.654 280 3HD1 ILE 34 HD13 ILE 34 -4.943 -1.630 0.286 281 H ASN 35 HN ASN 35 -4.767 -7.788 0.632 282 HA ASN 35 HA ASN 35 -7.214 -8.617 -0.548 283 1HB ASN 35 HB2 ASN 35 -4.886 -9.662 -0.620 284 2HB ASN 35 HB1 ASN 35 -5.247 -10.357 0.960 285 1HD2 ASN 35 HD21 ASN 35 -5.403 -11.038 -2.323 286 2HD2 ASN 35 HD22 ASN 35 -6.619 -12.222 -2.291 287 H ASP 36 HN ASP 36 -6.204 -8.494 2.820 288 HA ASP 36 HA ASP 36 -8.323 -10.202 3.855 289 1HB ASP 36 HB2 ASP 36 -6.124 -9.754 4.949 290 2HB ASP 36 HB1 ASP 36 -6.616 -8.077 5.194 291 H ASN 37 HN ASN 37 -7.815 -6.664 3.706 292 HA ASN 37 HA ASN 37 -10.381 -6.004 4.897 293 1HB ASN 37 HB2 ASN 37 -8.320 -4.489 3.267 294 2HB ASN 37 HB1 ASN 37 -9.734 -3.716 3.992 295 1HD2 ASN 37 HD21 ASN 37 -6.728 -3.507 4.646 296 2HD2 ASN 37 HD22 ASN 37 -6.653 -3.809 6.323 297 H GLY 38 HN GLY 38 -9.198 -6.468 1.598 298 1HA GLY 38 HA2 GLY 38 -10.528 -7.010 -0.304 299 2HA GLY 38 HA1 GLY 38 -11.974 -6.610 0.624 300 H ILE 39 HN ILE 39 -9.151 -4.509 0.303 301 HA ILE 39 HA ILE 39 -10.894 -2.535 -1.133 302 HB ILE 39 HB ILE 39 -8.506 -2.190 0.714 303 1HG1 ILE 39 HG12 ILE 39 -10.531 -2.918 1.898 304 2HG1 ILE 39 HG11 ILE 39 -10.198 -1.223 2.263 305 1HG2 ILE 39 HG21 ILE 39 -10.344 -0.002 -0.240 306 2HG2 ILE 39 HG22 ILE 39 -8.901 -0.432 -1.151 307 3HG2 ILE 39 HG23 ILE 39 -8.758 0.149 0.507 308 1HD1 ILE 39 HD11 ILE 39 -12.316 -0.776 1.625 309 2HD1 ILE 39 HD12 ILE 39 -12.530 -2.401 0.976 310 3HD1 ILE 39 HD13 ILE 39 -11.816 -1.139 -0.027 311 H ASP 40 HN ASP 40 -10.178 -3.740 -3.147 312 HA ASP 40 HA ASP 40 -7.420 -2.911 -4.002 313 1HB ASP 40 HB2 ASP 40 -9.144 -5.333 -4.457 314 2HB ASP 40 HB1 ASP 40 -7.933 -4.897 -5.668 315 H GLY 41 HN GLY 41 -7.882 -0.969 -5.074 316 1HA GLY 41 HA2 GLY 41 -9.753 -1.181 -7.392 317 2HA GLY 41 HA1 GLY 41 -9.815 0.225 -6.324 318 H GLU 42 HN GLU 42 -7.954 1.661 -6.285 319 HA GLU 42 HA GLU 42 -6.093 1.339 -8.614 320 1HB GLU 42 HB2 GLU 42 -8.160 3.349 -8.024 321 2HB GLU 42 HB1 GLU 42 -6.590 4.060 -8.398 322 1HG GLU 42 HG2 GLU 42 -6.603 3.304 -10.563 323 2HG GLU 42 HG1 GLU 42 -7.497 1.838 -10.158 324 H TRP 43 HN TRP 43 -4.032 1.378 -7.839 325 HA TRP 43 HA TRP 43 -3.446 2.781 -5.269 326 1HB TRP 43 HB2 TRP 43 -1.947 0.791 -7.005 327 2HB TRP 43 HB1 TRP 43 -1.255 1.530 -5.574 328 HD1 TRP 43 HD1 TRP 43 -4.929 0.374 -5.650 329 HE1 TRP 43 HE1 TRP 43 -5.175 -1.598 -4.027 330 HE3 TRP 43 HE3 TRP 43 -0.055 -0.304 -4.378 331 HZ2 TRP 43 HZ2 TRP 43 -3.528 -3.224 -2.361 332 HZ3 TRP 43 HZ3 TRP 43 0.586 -2.060 -2.741 333 HH2 TRP 43 HH2 TRP 43 -1.138 -3.515 -1.735 334 H THR 44 HN THR 44 -1.333 4.020 -5.254 335 HA THR 44 HA THR 44 -0.389 5.043 -7.862 336 HB THR 44 HB THR 44 -0.837 7.389 -7.163 337 HG1 THR 44 HG1 THR 44 -2.033 7.771 -5.355 338 1HG2 THR 44 HG21 THR 44 -3.148 7.392 -7.740 339 2HG2 THR 44 HG22 THR 44 -3.397 5.788 -7.050 340 3HG2 THR 44 HG23 THR 44 -2.466 5.974 -8.536 341 H TYR 45 HN TYR 45 1.786 5.349 -7.706 342 HA TYR 45 HA TYR 45 3.047 5.184 -5.023 343 1HB TYR 45 HB2 TYR 45 3.796 3.671 -6.788 344 2HB TYR 45 HB1 TYR 45 4.084 5.025 -7.877 345 HD1 TYR 45 HD1 TYR 45 6.255 5.843 -8.055 346 HD2 TYR 45 HD2 TYR 45 5.055 3.884 -4.427 347 HE1 TYR 45 HE1 TYR 45 8.555 6.090 -7.161 348 HE2 TYR 45 HE2 TYR 45 7.356 4.125 -3.533 349 HH TYR 45 HH TYR 45 9.810 4.397 -4.831 350 H ASP 46 HN ASP 46 4.981 6.675 -4.679 351 HA ASP 46 HA ASP 46 4.937 9.243 -6.145 352 1HB ASP 46 HB2 ASP 46 4.515 10.516 -4.068 353 2HB ASP 46 HB1 ASP 46 3.177 9.421 -4.407 354 H ASP 47 HN ASP 47 7.035 9.916 -6.344 355 HA ASP 47 HA ASP 47 9.182 8.479 -4.979 356 1HB ASP 47 HB2 ASP 47 8.776 10.339 -7.213 357 2HB ASP 47 HB1 ASP 47 10.279 10.636 -6.339 358 H ALA 48 HN ALA 48 7.246 10.971 -3.871 359 HA ALA 48 HA ALA 48 9.082 12.881 -2.800 360 1HB ALA 48 HB1 ALA 48 6.783 13.422 -2.777 361 2HB ALA 48 HB2 ALA 48 7.121 13.082 -1.080 362 3HB ALA 48 HB3 ALA 48 6.332 11.865 -2.083 363 H THR 49 HN THR 49 7.660 9.958 -1.306 364 HA THR 49 HA THR 49 10.095 9.623 0.356 365 HB THR 49 HB THR 49 8.613 11.105 1.643 366 HG1 THR 49 HG1 THR 49 8.461 8.452 2.624 367 1HG2 THR 49 HG21 THR 49 6.367 10.874 1.707 368 2HG2 THR 49 HG22 THR 49 6.479 9.153 2.076 369 3HG2 THR 49 HG23 THR 49 6.561 9.702 0.402 370 H LYS 50 HN LYS 50 8.727 8.172 -1.858 371 HA LYS 50 HA LYS 50 8.162 5.970 -2.452 372 1HB LYS 50 HB2 LYS 50 9.515 5.412 0.207 373 2HB LYS 50 HB1 LYS 50 9.306 4.265 -1.110 374 1HG LYS 50 HG2 LYS 50 11.113 5.052 -2.209 375 2HG LYS 50 HG1 LYS 50 10.573 6.722 -2.042 376 1HD LYS 50 HD2 LYS 50 12.488 6.819 -0.756 377 2HD LYS 50 HD1 LYS 50 11.334 6.329 0.486 378 1HE LYS 50 HE2 LYS 50 11.938 3.933 0.039 379 2HE LYS 50 HE1 LYS 50 13.198 4.505 -1.074 380 1HZ LYS 50 HZ1 LYS 50 12.931 5.163 1.811 381 2HZ LYS 50 HZ2 LYS 50 14.028 5.925 0.761 382 3HZ LYS 50 HZ3 LYS 50 14.172 4.263 1.084 383 H THR 51 HN THR 51 5.896 7.041 -1.686 384 HA THR 51 HA THR 51 4.726 5.290 0.454 385 HB THR 51 HB THR 51 3.410 7.743 -0.710 386 HG1 THR 51 HG1 THR 51 4.581 9.017 0.673 387 1HG2 THR 51 HG21 THR 51 2.915 5.939 1.455 388 2HG2 THR 51 HG22 THR 51 1.969 7.342 0.962 389 3HG2 THR 51 HG23 THR 51 3.273 7.528 2.132 390 H TRP 52 HN TRP 52 2.147 5.120 -0.163 391 HA TRP 52 HA TRP 52 1.825 4.532 -3.064 392 1HB TRP 52 HB2 TRP 52 1.779 2.612 -0.744 393 2HB TRP 52 HB1 TRP 52 0.882 2.274 -2.218 394 HD1 TRP 52 HD1 TRP 52 4.364 2.288 -0.796 395 HE1 TRP 52 HE1 TRP 52 6.007 1.411 -2.585 396 HE3 TRP 52 HE3 TRP 52 1.277 2.222 -4.809 397 HZ2 TRP 52 HZ2 TRP 52 5.989 0.762 -5.386 398 HZ3 TRP 52 HZ3 TRP 52 2.086 1.472 -7.039 399 HH2 TRP 52 HH2 TRP 52 4.440 0.741 -7.328 400 H THR 53 HN THR 53 -0.556 3.327 -3.110 401 HA THR 53 HA THR 53 -2.468 4.541 -1.228 402 HB THR 53 HB THR 53 -2.599 5.205 -4.179 403 HG1 THR 53 HG1 THR 53 -1.101 6.600 -3.788 404 1HG2 THR 53 HG21 THR 53 -4.726 5.492 -3.203 405 2HG2 THR 53 HG22 THR 53 -4.017 7.106 -3.144 406 3HG2 THR 53 HG23 THR 53 -4.047 6.102 -1.694 407 H VAL 54 HN VAL 54 -4.776 3.898 -1.943 408 HA VAL 54 HA VAL 54 -5.174 1.739 -3.831 409 HB VAL 54 HB VAL 54 -3.866 0.445 -2.268 410 1HG1 VAL 54 HG11 VAL 54 -4.862 0.359 0.184 411 2HG1 VAL 54 HG12 VAL 54 -5.438 1.969 -0.243 412 3HG1 VAL 54 HG13 VAL 54 -3.715 1.609 -0.290 413 1HG2 VAL 54 HG21 VAL 54 -5.306 -1.317 -1.849 414 2HG2 VAL 54 HG22 VAL 54 -6.311 -0.377 -2.962 415 3HG2 VAL 54 HG23 VAL 54 -6.578 -0.263 -1.222 416 H THR 55 HN THR 55 -6.911 3.325 -4.225 417 HA THR 55 HA THR 55 -9.001 3.646 -2.158 418 HB THR 55 HB THR 55 -9.038 4.553 -5.044 419 HG1 THR 55 HG1 THR 55 -7.174 5.408 -4.465 420 1HG2 THR 55 HG21 THR 55 -9.969 6.119 -2.662 421 2HG2 THR 55 HG22 THR 55 -10.971 4.797 -3.262 422 3HG2 THR 55 HG23 THR 55 -10.567 6.148 -4.321 423 H GLU 56 HN GLU 56 -11.137 2.815 -2.396 424 HA GLU 56 HA GLU 56 -11.417 0.595 -4.394 425 1HB GLU 56 HB2 GLU 56 -11.357 0.066 -1.935 426 2HB GLU 56 HB1 GLU 56 -12.818 1.034 -1.737 427 1HG GLU 56 HG2 GLU 56 -13.445 -1.309 -1.947 428 2HG GLU 56 HG1 GLU 56 -13.966 -0.446 -3.394 Start of MODEL 28 1 1H THR 1 HT1 THR 1 15.233 2.587 5.706 2 2H THR 1 HT2 THR 1 16.148 3.574 4.669 3 3H THR 1 HT3 THR 1 15.488 2.116 4.097 4 HA THR 1 HA THR 1 14.032 4.602 4.822 5 HB THR 1 HB THR 1 14.099 2.916 2.305 6 HG1 THR 1 HG1 THR 1 15.666 4.315 1.578 7 1HG2 THR 1 HG21 THR 1 12.208 4.366 2.327 8 2HG2 THR 1 HG22 THR 1 13.417 5.179 1.333 9 3HG2 THR 1 HG23 THR 1 13.148 5.700 2.997 10 H THR 2 HN THR 2 11.693 4.403 4.734 11 HA THR 2 HA THR 2 10.683 1.603 5.142 12 HB THR 2 HB THR 2 9.635 4.141 6.421 13 HG1 THR 2 HG1 THR 2 11.445 2.262 7.523 14 1HG2 THR 2 HG21 THR 2 8.427 2.713 7.836 15 2HG2 THR 2 HG22 THR 2 9.467 1.332 7.486 16 3HG2 THR 2 HG23 THR 2 8.317 1.899 6.275 17 H PHE 3 HN PHE 3 9.080 1.042 3.729 18 HA PHE 3 HA PHE 3 8.050 2.953 1.776 19 1HB PHE 3 HB2 PHE 3 7.322 0.077 2.438 20 2HB PHE 3 HB1 PHE 3 6.844 0.933 0.973 21 HD1 PHE 3 HD1 PHE 3 9.106 2.335 0.018 22 HD2 PHE 3 HD2 PHE 3 9.019 -1.468 2.017 23 HE1 PHE 3 HE1 PHE 3 11.267 1.730 -1.036 24 HE2 PHE 3 HE2 PHE 3 11.180 -2.071 0.962 25 HZ PHE 3 HZ PHE 3 12.304 -0.471 -0.563 26 H LYS 4 HN LYS 4 5.764 3.498 1.535 27 HA LYS 4 HA LYS 4 4.083 3.097 3.981 28 1HB LYS 4 HB2 LYS 4 5.334 5.295 3.954 29 2HB LYS 4 HB1 LYS 4 4.458 5.709 2.491 30 1HG LYS 4 HG2 LYS 4 2.318 5.465 3.676 31 2HG LYS 4 HG1 LYS 4 3.180 5.037 5.153 32 1HD LYS 4 HD2 LYS 4 3.791 7.190 5.580 33 2HD LYS 4 HD1 LYS 4 4.068 7.554 3.877 34 1HE LYS 4 HE2 LYS 4 1.954 8.369 3.594 35 2HE LYS 4 HE1 LYS 4 1.230 7.068 4.561 36 1HZ LYS 4 HZ1 LYS 4 1.099 9.225 5.695 37 2HZ LYS 4 HZ2 LYS 4 2.794 9.348 5.658 38 3HZ LYS 4 HZ3 LYS 4 2.047 8.117 6.562 39 H LEU 5 HN LEU 5 1.816 3.178 3.563 40 HA LEU 5 HA LEU 5 0.896 3.541 0.762 41 1HB LEU 5 HB2 LEU 5 1.632 1.079 1.507 42 2HB LEU 5 HB1 LEU 5 0.034 1.079 2.242 43 HG LEU 5 HG LEU 5 -0.083 2.167 -0.456 44 1HD1 LEU 5 HD11 LEU 5 1.917 0.472 -0.516 45 2HD1 LEU 5 HD12 LEU 5 0.671 0.384 -1.767 46 3HD1 LEU 5 HD13 LEU 5 0.646 -0.753 -0.407 47 1HD2 LEU 5 HD21 LEU 5 -1.724 0.191 -0.641 48 2HD2 LEU 5 HD22 LEU 5 -2.083 1.410 0.582 49 3HD2 LEU 5 HD23 LEU 5 -1.353 -0.124 1.055 50 H ILE 6 HN ILE 6 -1.213 4.323 0.715 51 HA ILE 6 HA ILE 6 -2.564 4.683 3.363 52 HB ILE 6 HB ILE 6 -2.604 6.233 0.759 53 1HG1 ILE 6 HG12 ILE 6 -0.553 6.441 2.142 54 2HG1 ILE 6 HG11 ILE 6 -1.453 7.956 2.077 55 1HG2 ILE 6 HG21 ILE 6 -3.872 7.934 2.234 56 2HG2 ILE 6 HG22 ILE 6 -4.198 6.569 3.302 57 3HG2 ILE 6 HG23 ILE 6 -4.782 6.546 1.638 58 1HD1 ILE 6 HD11 ILE 6 -1.445 7.960 4.332 59 2HD1 ILE 6 HD12 ILE 6 -0.764 6.335 4.380 60 3HD1 ILE 6 HD13 ILE 6 -2.510 6.556 4.282 61 H ILE 7 HN ILE 7 -4.572 3.780 3.627 62 HA ILE 7 HA ILE 7 -5.703 2.147 1.445 63 HB ILE 7 HB ILE 7 -6.539 2.619 4.328 64 1HG1 ILE 7 HG12 ILE 7 -5.018 0.285 3.128 65 2HG1 ILE 7 HG11 ILE 7 -4.237 1.630 3.961 66 1HG2 ILE 7 HG21 ILE 7 -7.538 0.227 3.816 67 2HG2 ILE 7 HG22 ILE 7 -7.500 0.795 2.147 68 3HG2 ILE 7 HG23 ILE 7 -8.434 1.674 3.356 69 1HD1 ILE 7 HD11 ILE 7 -4.506 0.224 5.763 70 2HD1 ILE 7 HD12 ILE 7 -5.924 -0.565 5.069 71 3HD1 ILE 7 HD13 ILE 7 -6.076 1.025 5.817 72 H ASN 8 HN ASN 8 -7.156 3.041 0.053 73 HA ASN 8 HA ASN 8 -8.876 5.300 1.026 74 1HB ASN 8 HB2 ASN 8 -7.456 4.648 -1.533 75 2HB ASN 8 HB1 ASN 8 -8.955 5.571 -1.628 76 1HD2 ASN 8 HD21 ASN 8 -6.669 6.905 -2.417 77 2HD2 ASN 8 HD22 ASN 8 -6.202 8.047 -1.238 78 H GLY 9 HN GLY 9 -9.776 2.796 1.654 79 1HA GLY 9 HA2 GLY 9 -11.462 1.700 -0.471 80 2HA GLY 9 HA1 GLY 9 -11.425 1.155 1.210 81 H LYS 10 HN LYS 10 -13.783 1.723 -0.435 82 HA LYS 10 HA LYS 10 -15.026 4.198 0.065 83 1HB LYS 10 HB2 LYS 10 -16.176 1.396 -0.084 84 2HB LYS 10 HB1 LYS 10 -17.115 2.878 -0.274 85 1HG LYS 10 HG2 LYS 10 -15.453 3.492 -2.139 86 2HG LYS 10 HG1 LYS 10 -14.939 1.805 -2.075 87 1HD LYS 10 HD2 LYS 10 -17.105 1.016 -2.682 88 2HD LYS 10 HD1 LYS 10 -17.841 2.592 -2.391 89 1HE LYS 10 HE2 LYS 10 -15.942 3.249 -4.256 90 2HE LYS 10 HE1 LYS 10 -16.401 1.616 -4.780 91 1HZ LYS 10 HZ1 LYS 10 -17.959 3.124 -5.730 92 2HZ LYS 10 HZ2 LYS 10 -18.210 3.909 -4.244 93 3HZ LYS 10 HZ3 LYS 10 -18.757 2.316 -4.470 94 H THR 11 HN THR 11 -14.654 1.390 2.176 95 HA THR 11 HA THR 11 -16.075 2.888 4.357 96 HB THR 11 HB THR 11 -15.675 -0.103 4.139 97 HG1 THR 11 HG1 THR 11 -16.955 0.066 2.484 98 1HG2 THR 11 HG21 THR 11 -16.473 1.307 6.258 99 2HG2 THR 11 HG22 THR 11 -17.193 -0.256 5.869 100 3HG2 THR 11 HG23 THR 11 -18.020 1.235 5.414 101 H LEU 12 HN LEU 12 -13.304 0.824 3.529 102 HA LEU 12 HA LEU 12 -12.135 1.193 6.238 103 1HB LEU 12 HB2 LEU 12 -11.422 -0.441 3.787 104 2HB LEU 12 HB1 LEU 12 -10.449 -0.431 5.258 105 HG LEU 12 HG LEU 12 -13.404 -1.020 5.359 106 1HD1 LEU 12 HD11 LEU 12 -12.010 -2.544 3.753 107 2HD1 LEU 12 HD12 LEU 12 -13.054 -3.303 4.955 108 3HD1 LEU 12 HD13 LEU 12 -11.318 -3.186 5.243 109 1HD2 LEU 12 HD21 LEU 12 -11.007 -1.635 7.113 110 2HD2 LEU 12 HD22 LEU 12 -12.620 -2.290 7.397 111 3HD2 LEU 12 HD23 LEU 12 -12.347 -0.550 7.486 112 H LYS 13 HN LYS 13 -10.127 2.261 6.545 113 HA LYS 13 HA LYS 13 -8.672 3.431 4.275 114 1HB LYS 13 HB2 LYS 13 -10.627 4.907 5.981 115 2HB LYS 13 HB1 LYS 13 -9.141 5.752 5.544 116 1HG LYS 13 HG2 LYS 13 -9.740 4.781 3.129 117 2HG LYS 13 HG1 LYS 13 -11.373 4.813 3.796 118 1HD LYS 13 HD2 LYS 13 -10.924 7.217 4.486 119 2HD LYS 13 HD1 LYS 13 -9.452 7.134 3.517 120 1HE LYS 13 HE2 LYS 13 -10.932 7.949 1.915 121 2HE LYS 13 HE1 LYS 13 -11.178 6.207 1.678 122 1HZ LYS 13 HZ1 LYS 13 -12.995 6.241 3.220 123 2HZ LYS 13 HZ2 LYS 13 -13.278 7.434 2.044 124 3HZ LYS 13 HZ3 LYS 13 -12.725 7.874 3.590 125 H GLY 14 HN GLY 14 -6.993 5.117 5.348 126 1HA GLY 14 HA2 GLY 14 -5.915 5.501 7.656 127 2HA GLY 14 HA1 GLY 14 -5.873 3.741 7.751 128 H GLU 15 HN GLU 15 -3.537 3.842 7.894 129 HA GLU 15 HA GLU 15 -2.247 4.052 5.218 130 1HB GLU 15 HB2 GLU 15 -0.449 5.445 6.220 131 2HB GLU 15 HB1 GLU 15 -2.017 6.242 6.323 132 1HG GLU 15 HG2 GLU 15 -2.038 4.892 8.672 133 2HG GLU 15 HG1 GLU 15 -0.303 5.150 8.489 134 H THR 16 HN THR 16 0.038 3.105 5.335 135 HA THR 16 HA THR 16 0.678 1.376 7.620 136 HB THR 16 HB THR 16 -1.146 0.140 6.529 137 HG1 THR 16 HG1 THR 16 0.064 -1.764 6.069 138 1HG2 THR 16 HG21 THR 16 0.583 0.489 4.069 139 2HG2 THR 16 HG22 THR 16 -1.102 0.963 4.290 140 3HG2 THR 16 HG23 THR 16 -0.676 -0.744 4.176 141 H THR 17 HN THR 17 2.822 0.587 7.489 142 HA THR 17 HA THR 17 4.348 1.219 4.987 143 HB THR 17 HB THR 17 6.172 1.986 6.588 144 HG1 THR 17 HG1 THR 17 5.527 2.430 8.678 145 1HG2 THR 17 HG21 THR 17 3.548 3.374 6.192 146 2HG2 THR 17 HG22 THR 17 5.135 3.777 5.538 147 3HG2 THR 17 HG23 THR 17 4.762 4.127 7.225 148 H THR 18 HN THR 18 6.321 -0.081 4.771 149 HA THR 18 HA THR 18 6.545 -2.399 6.615 150 HB THR 18 HB THR 18 5.436 -2.324 3.905 151 HG1 THR 18 HG1 THR 18 5.021 -4.573 4.608 152 1HG2 THR 18 HG21 THR 18 7.730 -2.920 3.212 153 2HG2 THR 18 HG22 THR 18 6.614 -4.268 2.976 154 3HG2 THR 18 HG23 THR 18 7.727 -4.272 4.345 155 H GLU 19 HN GLU 19 8.647 -3.608 6.122 156 HA GLU 19 HA GLU 19 10.763 -1.722 5.132 157 1HB GLU 19 HB2 GLU 19 10.655 -2.033 7.610 158 2HB GLU 19 HB1 GLU 19 10.880 -3.767 7.375 159 1HG GLU 19 HG2 GLU 19 12.968 -2.858 5.927 160 2HG GLU 19 HG1 GLU 19 12.842 -1.549 7.103 161 H ALA 20 HN ALA 20 11.594 -2.575 3.256 162 HA ALA 20 HA ALA 20 12.355 -5.440 3.180 163 1HB ALA 20 HB1 ALA 20 10.224 -5.743 2.310 164 2HB ALA 20 HB2 ALA 20 11.101 -5.361 0.827 165 3HB ALA 20 HB3 ALA 20 10.158 -4.112 1.641 166 H VAL 21 HN VAL 21 13.145 -5.762 0.664 167 HA VAL 21 HA VAL 21 15.502 -4.134 0.372 168 HB VAL 21 HB VAL 21 15.210 -6.492 -0.388 169 1HG1 VAL 21 HG11 VAL 21 12.848 -6.092 -1.272 170 2HG1 VAL 21 HG12 VAL 21 13.901 -7.086 -2.278 171 3HG1 VAL 21 HG13 VAL 21 13.617 -5.398 -2.699 172 1HG2 VAL 21 HG21 VAL 21 16.054 -5.961 -2.853 173 2HG2 VAL 21 HG22 VAL 21 17.055 -5.595 -1.447 174 3HG2 VAL 21 HG23 VAL 21 16.114 -4.317 -2.217 175 H ASP 22 HN ASP 22 12.363 -4.161 -1.237 176 HA ASP 22 HA ASP 22 12.796 -1.409 -2.244 177 1HB ASP 22 HB2 ASP 22 12.313 -3.901 -3.900 178 2HB ASP 22 HB1 ASP 22 12.225 -2.258 -4.556 179 H ALA 23 HN ALA 23 10.748 -0.444 -2.949 180 HA ALA 23 HA ALA 23 8.467 -1.151 -1.378 181 1HB ALA 23 HB1 ALA 23 8.354 1.037 -2.064 182 2HB ALA 23 HB2 ALA 23 7.457 0.352 -3.420 183 3HB ALA 23 HB3 ALA 23 9.178 0.701 -3.587 184 H ALA 24 HN ALA 24 9.516 -2.179 -4.573 185 HA ALA 24 HA ALA 24 7.055 -3.200 -5.604 186 1HB ALA 24 HB1 ALA 24 8.918 -3.041 -7.062 187 2HB ALA 24 HB2 ALA 24 8.747 -4.777 -6.804 188 3HB ALA 24 HB3 ALA 24 9.982 -3.873 -5.928 189 H THR 25 HN THR 25 9.588 -4.764 -3.631 190 HA THR 25 HA THR 25 8.245 -7.313 -3.396 191 HB THR 25 HB THR 25 10.419 -5.874 -1.838 192 HG1 THR 25 HG1 THR 25 10.428 -8.028 -3.679 193 1HG2 THR 25 HG21 THR 25 9.576 -8.778 -1.581 194 2HG2 THR 25 HG22 THR 25 9.273 -7.529 -0.370 195 3HG2 THR 25 HG23 THR 25 10.930 -8.008 -0.751 196 H ALA 26 HN ALA 26 8.540 -4.512 -1.169 197 HA ALA 26 HA ALA 26 6.928 -5.552 0.929 198 1HB ALA 26 HB1 ALA 26 6.590 -3.022 1.376 199 2HB ALA 26 HB2 ALA 26 7.574 -2.769 -0.072 200 3HB ALA 26 HB3 ALA 26 8.255 -3.611 1.320 201 H GLU 27 HN GLU 27 5.987 -3.251 -1.650 202 HA GLU 27 HA GLU 27 3.295 -2.914 -1.205 203 1HB GLU 27 HB2 GLU 27 4.683 -1.943 -3.031 204 2HB GLU 27 HB1 GLU 27 4.611 -3.488 -3.879 205 1HG GLU 27 HG2 GLU 27 2.016 -3.207 -3.609 206 2HG GLU 27 HG1 GLU 27 2.411 -1.504 -3.379 207 H LYS 28 HN LYS 28 4.770 -5.849 -2.582 208 HA LYS 28 HA LYS 28 2.324 -7.150 -3.388 209 1HB LYS 28 HB2 LYS 28 4.977 -8.263 -2.389 210 2HB LYS 28 HB1 LYS 28 3.761 -9.185 -3.274 211 1HG LYS 28 HG2 LYS 28 4.169 -8.067 -5.273 212 2HG LYS 28 HG1 LYS 28 4.802 -6.635 -4.461 213 1HD LYS 28 HD2 LYS 28 6.808 -7.529 -5.139 214 2HD LYS 28 HD1 LYS 28 6.630 -8.431 -3.634 215 1HE LYS 28 HE2 LYS 28 6.193 -10.407 -4.721 216 2HE LYS 28 HE1 LYS 28 5.295 -9.605 -6.025 217 1HZ LYS 28 HZ1 LYS 28 7.511 -10.453 -6.720 218 2HZ LYS 28 HZ2 LYS 28 8.230 -9.362 -5.634 219 3HZ LYS 28 HZ3 LYS 28 7.321 -8.783 -6.947 220 H VAL 29 HN VAL 29 4.236 -7.193 -0.386 221 HA VAL 29 HA VAL 29 2.460 -8.934 1.105 222 HB VAL 29 HB VAL 29 4.639 -6.919 1.741 223 1HG1 VAL 29 HG11 VAL 29 3.029 -6.874 3.634 224 2HG1 VAL 29 HG12 VAL 29 4.563 -7.618 4.098 225 3HG1 VAL 29 HG13 VAL 29 3.157 -8.631 3.767 226 1HG2 VAL 29 HG21 VAL 29 6.005 -8.775 2.005 227 2HG2 VAL 29 HG22 VAL 29 4.892 -9.373 0.774 228 3HG2 VAL 29 HG23 VAL 29 4.665 -9.826 2.464 229 H LEU 30 HN LEU 30 2.694 -5.415 0.608 230 HA LEU 30 HA LEU 30 0.738 -4.672 2.566 231 1HB LEU 30 HB2 LEU 30 1.862 -3.455 0.039 232 2HB LEU 30 HB1 LEU 30 0.621 -2.617 0.954 233 HG LEU 30 HG LEU 30 3.170 -2.111 1.402 234 1HD1 LEU 30 HD11 LEU 30 1.092 -2.512 3.551 235 2HD1 LEU 30 HD12 LEU 30 1.480 -1.025 2.683 236 3HD1 LEU 30 HD13 LEU 30 2.640 -1.705 3.833 237 1HD2 LEU 30 HD21 LEU 30 2.761 -4.645 2.998 238 2HD2 LEU 30 HD22 LEU 30 3.934 -3.424 3.437 239 3HD2 LEU 30 HD23 LEU 30 4.069 -4.239 1.892 240 H LYS 31 HN LYS 31 0.549 -5.795 -0.765 241 HA LYS 31 HA LYS 31 -2.227 -5.205 -1.298 242 1HB LYS 31 HB2 LYS 31 -0.184 -6.150 -2.752 243 2HB LYS 31 HB1 LYS 31 -0.831 -7.693 -2.249 244 1HG LYS 31 HG2 LYS 31 -2.606 -5.570 -3.456 245 2HG LYS 31 HG1 LYS 31 -1.726 -6.717 -4.464 246 1HD LYS 31 HD2 LYS 31 -3.714 -7.427 -2.281 247 2HD LYS 31 HD1 LYS 31 -3.994 -7.551 -4.016 248 1HE LYS 31 HE2 LYS 31 -1.584 -8.955 -3.544 249 2HE LYS 31 HE1 LYS 31 -2.702 -9.460 -2.256 250 1HZ LYS 31 HZ1 LYS 31 -4.429 -9.714 -4.004 251 2HZ LYS 31 HZ2 LYS 31 -3.135 -10.800 -4.180 252 3HZ LYS 31 HZ3 LYS 31 -3.242 -9.433 -5.183 253 H GLN 32 HN GLN 32 -0.516 -8.004 0.055 254 HA GLN 32 HA GLN 32 -2.685 -9.767 0.500 255 1HB GLN 32 HB2 GLN 32 0.019 -9.261 1.613 256 2HB GLN 32 HB1 GLN 32 -1.061 -10.260 2.586 257 1HG GLN 32 HG2 GLN 32 -1.506 -11.409 0.211 258 2HG GLN 32 HG1 GLN 32 0.125 -10.811 -0.090 259 1HE2 GLN 32 HE21 GLN 32 1.218 -12.851 0.040 260 2HE2 GLN 32 HE22 GLN 32 1.286 -13.768 1.477 261 H TYR 33 HN TYR 33 -1.456 -7.076 2.470 262 HA TYR 33 HA TYR 33 -3.222 -7.409 4.736 263 1HB TYR 33 HB2 TYR 33 -1.182 -6.047 4.774 264 2HB TYR 33 HB1 TYR 33 -1.824 -4.998 3.510 265 HD1 TYR 33 HD1 TYR 33 -2.344 -6.162 6.987 266 HD2 TYR 33 HD2 TYR 33 -3.302 -3.204 4.029 267 HE1 TYR 33 HE1 TYR 33 -3.468 -4.807 8.716 268 HE2 TYR 33 HE2 TYR 33 -4.424 -1.837 5.763 269 HH TYR 33 HH TYR 33 -5.594 -2.528 8.180 270 H ILE 34 HN ILE 34 -3.419 -5.597 1.695 271 HA ILE 34 HA ILE 34 -5.957 -4.309 2.167 272 HB ILE 34 HB ILE 34 -4.493 -5.149 -0.354 273 1HG1 ILE 34 HG12 ILE 34 -3.338 -3.629 1.376 274 2HG1 ILE 34 HG11 ILE 34 -3.386 -3.061 -0.286 275 1HG2 ILE 34 HG21 ILE 34 -7.058 -3.807 0.031 276 2HG2 ILE 34 HG22 ILE 34 -6.353 -4.492 -1.433 277 3HG2 ILE 34 HG23 ILE 34 -5.934 -2.853 -0.938 278 1HD1 ILE 34 HD11 ILE 34 -5.062 -1.471 0.192 279 2HD1 ILE 34 HD12 ILE 34 -3.993 -1.386 1.593 280 3HD1 ILE 34 HD13 ILE 34 -5.516 -2.271 1.697 281 H ASN 35 HN ASN 35 -5.005 -7.496 1.016 282 HA ASN 35 HA ASN 35 -7.410 -8.358 -0.234 283 1HB ASN 35 HB2 ASN 35 -5.117 -9.451 -0.159 284 2HB ASN 35 HB1 ASN 35 -5.517 -10.008 1.465 285 1HD2 ASN 35 HD21 ASN 35 -6.186 -10.483 -1.959 286 2HD2 ASN 35 HD22 ASN 35 -7.176 -11.848 -1.767 287 H ASP 36 HN ASP 36 -6.554 -8.034 3.162 288 HA ASP 36 HA ASP 36 -8.772 -9.632 4.187 289 1HB ASP 36 HB2 ASP 36 -6.605 -9.228 5.354 290 2HB ASP 36 HB1 ASP 36 -7.022 -7.519 5.492 291 H ASN 37 HN ASN 37 -8.103 -6.121 3.960 292 HA ASN 37 HA ASN 37 -10.575 -5.207 5.066 293 1HB ASN 37 HB2 ASN 37 -8.600 -4.054 3.075 294 2HB ASN 37 HB1 ASN 37 -9.948 -3.120 3.734 295 1HD2 ASN 37 HD21 ASN 37 -6.856 -3.025 4.170 296 2HD2 ASN 37 HD22 ASN 37 -6.706 -2.991 5.869 297 H GLY 38 HN GLY 38 -9.718 -6.336 1.843 298 1HA GLY 38 HA2 GLY 38 -11.239 -7.108 0.180 299 2HA GLY 38 HA1 GLY 38 -12.568 -6.414 1.109 300 H ILE 39 HN ILE 39 -9.629 -4.688 0.167 301 HA ILE 39 HA ILE 39 -11.327 -2.906 -1.554 302 HB ILE 39 HB ILE 39 -8.868 -2.306 0.128 303 1HG1 ILE 39 HG12 ILE 39 -10.872 -2.760 1.496 304 2HG1 ILE 39 HG11 ILE 39 -10.448 -1.047 1.562 305 1HG2 ILE 39 HG21 ILE 39 -8.886 -0.786 -1.714 306 2HG2 ILE 39 HG22 ILE 39 -9.594 0.095 -0.360 307 3HG2 ILE 39 HG23 ILE 39 -10.634 -0.577 -1.616 308 1HD1 ILE 39 HD11 ILE 39 -12.130 -0.694 -0.328 309 2HD1 ILE 39 HD12 ILE 39 -12.819 -1.128 1.236 310 3HD1 ILE 39 HD13 ILE 39 -12.673 -2.345 -0.032 311 H ASP 40 HN ASP 40 -10.376 -2.182 -3.528 312 HA ASP 40 HA ASP 40 -7.660 -2.824 -4.321 313 1HB ASP 40 HB2 ASP 40 -8.296 -4.597 -5.962 314 2HB ASP 40 HB1 ASP 40 -8.625 -5.086 -4.298 315 H GLY 41 HN GLY 41 -7.141 -1.611 -6.152 316 1HA GLY 41 HA2 GLY 41 -8.937 -0.922 -8.250 317 2HA GLY 41 HA1 GLY 41 -8.930 0.399 -7.079 318 H GLU 42 HN GLU 42 -7.231 1.832 -7.114 319 HA GLU 42 HA GLU 42 -4.955 1.198 -8.968 320 1HB GLU 42 HB2 GLU 42 -6.683 3.615 -8.503 321 2HB GLU 42 HB1 GLU 42 -5.046 3.830 -9.127 322 1HG GLU 42 HG2 GLU 42 -5.537 2.860 -11.144 323 2HG GLU 42 HG1 GLU 42 -6.687 1.725 -10.437 324 H TRP 43 HN TRP 43 -2.956 1.299 -8.043 325 HA TRP 43 HA TRP 43 -2.713 2.480 -5.310 326 1HB TRP 43 HB2 TRP 43 -1.194 0.413 -6.908 327 2HB TRP 43 HB1 TRP 43 -0.516 1.122 -5.455 328 HD1 TRP 43 HD1 TRP 43 -4.248 0.213 -5.826 329 HE1 TRP 43 HE1 TRP 43 -4.773 -1.639 -4.122 330 HE3 TRP 43 HE3 TRP 43 0.420 -0.638 -4.038 331 HZ2 TRP 43 HZ2 TRP 43 -3.388 -3.242 -2.201 332 HZ3 TRP 43 HZ3 TRP 43 0.807 -2.319 -2.247 333 HH2 TRP 43 HH2 TRP 43 -1.088 -3.615 -1.331 334 H THR 44 HN THR 44 -2.560 4.713 -6.318 335 HA THR 44 HA THR 44 -0.490 5.453 -8.153 336 HB THR 44 HB THR 44 -0.891 7.731 -7.121 337 HG1 THR 44 HG1 THR 44 -2.353 7.862 -5.472 338 1HG2 THR 44 HG21 THR 44 -2.365 7.454 -8.854 339 2HG2 THR 44 HG22 THR 44 -3.538 7.439 -7.538 340 3HG2 THR 44 HG23 THR 44 -2.971 5.919 -8.231 341 H TYR 45 HN TYR 45 1.684 5.681 -7.829 342 HA TYR 45 HA TYR 45 2.786 5.172 -5.116 343 1HB TYR 45 HB2 TYR 45 3.573 3.887 -7.064 344 2HB TYR 45 HB1 TYR 45 4.016 5.380 -7.890 345 HD1 TYR 45 HD1 TYR 45 4.539 3.970 -4.443 346 HD2 TYR 45 HD2 TYR 45 6.302 5.767 -7.922 347 HE1 TYR 45 HE1 TYR 45 6.760 3.928 -3.339 348 HE2 TYR 45 HE2 TYR 45 8.522 5.727 -6.819 349 HH TYR 45 HH TYR 45 9.447 5.645 -4.555 350 H ASP 46 HN ASP 46 4.571 6.620 -4.334 351 HA ASP 46 HA ASP 46 4.460 9.393 -5.472 352 1HB ASP 46 HB2 ASP 46 4.477 8.675 -2.519 353 2HB ASP 46 HB1 ASP 46 4.298 10.281 -3.216 354 H ASP 47 HN ASP 47 6.493 10.086 -5.943 355 HA ASP 47 HA ASP 47 8.859 8.588 -5.154 356 1HB ASP 47 HB2 ASP 47 8.546 9.793 -7.307 357 2HB ASP 47 HB1 ASP 47 8.532 11.324 -6.430 358 H ALA 48 HN ALA 48 6.998 10.889 -3.481 359 HA ALA 48 HA ALA 48 8.850 12.603 -2.216 360 1HB ALA 48 HB1 ALA 48 6.206 11.343 -1.566 361 2HB ALA 48 HB2 ALA 48 6.609 13.050 -1.777 362 3HB ALA 48 HB3 ALA 48 7.046 12.220 -0.283 363 H THR 49 HN THR 49 7.453 9.785 -0.541 364 HA THR 49 HA THR 49 10.167 9.137 0.561 365 HB THR 49 HB THR 49 8.771 10.405 2.169 366 HG1 THR 49 HG1 THR 49 10.052 8.856 3.089 367 1HG2 THR 49 HG21 THR 49 6.561 9.880 1.326 368 2HG2 THR 49 HG22 THR 49 6.659 9.314 2.995 369 3HG2 THR 49 HG23 THR 49 6.796 8.164 1.662 370 H LYS 50 HN LYS 50 8.826 7.909 -1.694 371 HA LYS 50 HA LYS 50 8.272 5.783 -2.518 372 1HB LYS 50 HB2 LYS 50 9.431 4.927 0.156 373 2HB LYS 50 HB1 LYS 50 9.246 3.902 -1.264 374 1HG LYS 50 HG2 LYS 50 10.699 6.392 -1.833 375 2HG LYS 50 HG1 LYS 50 11.505 5.382 -0.634 376 1HD LYS 50 HD2 LYS 50 10.766 3.507 -2.490 377 2HD LYS 50 HD1 LYS 50 11.079 4.904 -3.520 378 1HE LYS 50 HE2 LYS 50 13.035 3.982 -1.392 379 2HE LYS 50 HE1 LYS 50 13.115 3.441 -3.080 380 1HZ LYS 50 HZ1 LYS 50 14.441 5.466 -2.670 381 2HZ LYS 50 HZ2 LYS 50 13.021 6.285 -2.223 382 3HZ LYS 50 HZ3 LYS 50 13.211 5.712 -3.811 383 H THR 51 HN THR 51 6.194 7.229 -1.214 384 HA THR 51 HA THR 51 4.749 5.437 0.604 385 HB THR 51 HB THR 51 3.477 7.719 -0.879 386 HG1 THR 51 HG1 THR 51 4.564 9.183 0.436 387 1HG2 THR 51 HG21 THR 51 3.365 7.750 2.018 388 2HG2 THR 51 HG22 THR 51 2.869 6.178 1.393 389 3HG2 THR 51 HG23 THR 51 2.046 7.641 0.854 390 H TRP 52 HN TRP 52 2.196 5.339 -0.254 391 HA TRP 52 HA TRP 52 2.055 4.492 -3.082 392 1HB TRP 52 HB2 TRP 52 1.968 2.684 -0.674 393 2HB TRP 52 HB1 TRP 52 1.125 2.251 -2.156 394 HD1 TRP 52 HD1 TRP 52 4.568 2.491 -0.645 395 HE1 TRP 52 HE1 TRP 52 6.295 1.570 -2.332 396 HE3 TRP 52 HE3 TRP 52 1.585 1.997 -4.713 397 HZ2 TRP 52 HZ2 TRP 52 6.376 0.725 -5.077 398 HZ3 TRP 52 HZ3 TRP 52 2.486 1.130 -6.864 399 HH2 TRP 52 HH2 TRP 52 4.879 0.493 -7.046 400 H THR 53 HN THR 53 -0.303 3.239 -3.159 401 HA THR 53 HA THR 53 -2.298 4.503 -1.406 402 HB THR 53 HB THR 53 -2.520 5.021 -4.367 403 HG1 THR 53 HG1 THR 53 -1.196 6.671 -2.482 404 1HG2 THR 53 HG21 THR 53 -3.741 6.015 -1.839 405 2HG2 THR 53 HG22 THR 53 -4.493 5.694 -3.402 406 3HG2 THR 53 HG23 THR 53 -3.559 7.170 -3.159 407 H VAL 54 HN VAL 54 -4.598 3.890 -2.446 408 HA VAL 54 HA VAL 54 -4.827 1.563 -4.124 409 HB VAL 54 HB VAL 54 -3.694 0.408 -2.318 410 1HG1 VAL 54 HG11 VAL 54 -3.775 1.724 -0.436 411 2HG1 VAL 54 HG12 VAL 54 -4.980 0.512 -0.006 412 3HG1 VAL 54 HG13 VAL 54 -5.489 2.081 -0.626 413 1HG2 VAL 54 HG21 VAL 54 -6.074 -0.449 -3.226 414 2HG2 VAL 54 HG22 VAL 54 -6.495 -0.251 -1.525 415 3HG2 VAL 54 HG23 VAL 54 -5.173 -1.328 -1.985 416 H THR 55 HN THR 55 -6.393 3.408 -4.650 417 HA THR 55 HA THR 55 -8.707 3.781 -2.882 418 HB THR 55 HB THR 55 -8.358 4.584 -5.783 419 HG1 THR 55 HG1 THR 55 -6.720 5.689 -5.117 420 1HG2 THR 55 HG21 THR 55 -9.680 6.099 -3.531 421 2HG2 THR 55 HG22 THR 55 -10.558 4.899 -4.480 422 3HG2 THR 55 HG23 THR 55 -9.882 6.325 -5.269 423 H GLU 56 HN GLU 56 -10.473 2.452 -2.884 424 HA GLU 56 HA GLU 56 -10.748 0.136 -4.532 425 1HB GLU 56 HB2 GLU 56 -11.821 0.898 -2.253 426 2HB GLU 56 HB1 GLU 56 -13.085 1.568 -3.284 427 1HG GLU 56 HG2 GLU 56 -12.172 -1.253 -3.743 428 2HG GLU 56 HG1 GLU 56 -13.279 -0.914 -2.412 Start of MODEL 29 1 1H THR 1 HT1 THR 1 14.113 3.431 5.497 2 2H THR 1 HT2 THR 1 15.503 3.045 4.599 3 3H THR 1 HT3 THR 1 14.574 1.810 5.303 4 HA THR 1 HA THR 1 13.528 3.644 3.210 5 HB THR 1 HB THR 1 15.474 2.382 2.403 6 HG1 THR 1 HG1 THR 1 14.063 2.400 0.811 7 1HG2 THR 1 HG21 THR 1 15.721 0.573 3.888 8 2HG2 THR 1 HG22 THR 1 15.174 -0.198 2.399 9 3HG2 THR 1 HG23 THR 1 14.036 0.082 3.716 10 H THR 2 HN THR 2 11.962 3.202 5.373 11 HA THR 2 HA THR 2 10.427 0.708 5.152 12 HB THR 2 HB THR 2 9.710 3.227 6.664 13 HG1 THR 2 HG1 THR 2 11.548 1.195 7.396 14 1HG2 THR 2 HG21 THR 2 8.387 0.880 6.464 15 2HG2 THR 2 HG22 THR 2 8.367 1.870 7.923 16 3HG2 THR 2 HG23 THR 2 9.468 0.498 7.804 17 H PHE 3 HN PHE 3 9.408 0.685 3.113 18 HA PHE 3 HA PHE 3 8.194 2.831 1.728 19 1HB PHE 3 HB2 PHE 3 7.435 -0.107 1.893 20 2HB PHE 3 HB1 PHE 3 6.923 0.993 0.613 21 HD1 PHE 3 HD1 PHE 3 9.081 2.513 -0.242 22 HD2 PHE 3 HD2 PHE 3 9.202 -1.507 1.278 23 HE1 PHE 3 HE1 PHE 3 11.219 2.124 -1.435 24 HE2 PHE 3 HE2 PHE 3 11.339 -1.892 0.083 25 HZ PHE 3 HZ PHE 3 12.349 -0.077 -1.272 26 H LYS 4 HN LYS 4 5.748 3.099 1.416 27 HA LYS 4 HA LYS 4 4.172 2.570 3.903 28 1HB LYS 4 HB2 LYS 4 5.377 4.832 3.874 29 2HB LYS 4 HB1 LYS 4 4.327 5.264 2.532 30 1HG LYS 4 HG2 LYS 4 2.342 4.817 3.927 31 2HG LYS 4 HG1 LYS 4 3.391 4.407 5.282 32 1HD LYS 4 HD2 LYS 4 3.769 6.580 5.784 33 2HD LYS 4 HD1 LYS 4 4.076 6.997 4.099 34 1HE LYS 4 HE2 LYS 4 1.854 7.543 3.688 35 2HE LYS 4 HE1 LYS 4 1.245 6.436 4.935 36 1HZ LYS 4 HZ1 LYS 4 2.851 8.874 5.490 37 2HZ LYS 4 HZ2 LYS 4 2.136 7.846 6.638 38 3HZ LYS 4 HZ3 LYS 4 1.162 8.797 5.621 39 H LEU 5 HN LEU 5 1.861 2.707 3.541 40 HA LEU 5 HA LEU 5 0.857 3.179 0.805 41 1HB LEU 5 HB2 LEU 5 1.758 0.709 1.274 42 2HB LEU 5 HB1 LEU 5 0.186 0.536 2.043 43 HG LEU 5 HG LEU 5 -0.015 1.890 -0.544 44 1HD1 LEU 5 HD11 LEU 5 1.978 0.211 -0.786 45 2HD1 LEU 5 HD12 LEU 5 0.700 0.212 -2.007 46 3HD1 LEU 5 HD13 LEU 5 0.713 -1.023 -0.737 47 1HD2 LEU 5 HD21 LEU 5 -1.730 0.081 -0.869 48 2HD2 LEU 5 HD22 LEU 5 -1.954 1.011 0.613 49 3HD2 LEU 5 HD23 LEU 5 -1.237 -0.599 0.682 50 H ILE 6 HN ILE 6 -1.155 4.080 0.980 51 HA ILE 6 HA ILE 6 -2.515 3.995 3.637 52 HB ILE 6 HB ILE 6 -2.705 5.792 1.201 53 1HG1 ILE 6 HG12 ILE 6 -0.627 5.984 2.542 54 2HG1 ILE 6 HG11 ILE 6 -1.611 7.442 2.656 55 1HG2 ILE 6 HG21 ILE 6 -4.276 5.729 3.769 56 2HG2 ILE 6 HG22 ILE 6 -4.857 5.967 2.121 57 3HG2 ILE 6 HG23 ILE 6 -3.987 7.261 2.944 58 1HD1 ILE 6 HD11 ILE 6 -2.519 5.772 4.735 59 2HD1 ILE 6 HD12 ILE 6 -1.527 7.221 4.899 60 3HD1 ILE 6 HD13 ILE 6 -0.761 5.639 4.763 61 H ILE 7 HN ILE 7 -4.715 3.364 3.772 62 HA ILE 7 HA ILE 7 -5.752 1.867 1.397 63 HB ILE 7 HB ILE 7 -6.392 1.638 4.357 64 1HG1 ILE 7 HG12 ILE 7 -4.790 -0.267 2.627 65 2HG1 ILE 7 HG11 ILE 7 -4.036 0.985 3.614 66 1HG2 ILE 7 HG21 ILE 7 -8.260 0.823 3.120 67 2HG2 ILE 7 HG22 ILE 7 -7.320 -0.609 3.537 68 3HG2 ILE 7 HG23 ILE 7 -7.222 0.067 1.910 69 1HD1 ILE 7 HD11 ILE 7 -5.602 -0.076 5.497 70 2HD1 ILE 7 HD12 ILE 7 -4.012 -0.747 5.138 71 3HD1 ILE 7 HD13 ILE 7 -5.458 -1.499 4.464 72 H ASN 8 HN ASN 8 -7.289 3.013 0.312 73 HA ASN 8 HA ASN 8 -9.066 4.870 1.843 74 1HB ASN 8 HB2 ASN 8 -8.296 4.632 -1.085 75 2HB ASN 8 HB1 ASN 8 -9.448 5.814 -0.465 76 1HD2 ASN 8 HD21 ASN 8 -6.932 6.532 -1.735 77 2HD2 ASN 8 HD22 ASN 8 -5.972 7.312 -0.559 78 H GLY 9 HN GLY 9 -9.751 2.242 2.175 79 1HA GLY 9 HA2 GLY 9 -11.573 1.274 0.128 80 2HA GLY 9 HA1 GLY 9 -11.410 0.617 1.762 81 H LYS 10 HN LYS 10 -13.857 1.334 0.180 82 HA LYS 10 HA LYS 10 -15.133 3.683 1.050 83 1HB LYS 10 HB2 LYS 10 -16.239 0.905 0.541 84 2HB LYS 10 HB1 LYS 10 -17.208 2.379 0.578 85 1HG LYS 10 HG2 LYS 10 -15.412 3.211 -1.187 86 2HG LYS 10 HG1 LYS 10 -15.202 1.481 -1.458 87 1HD LYS 10 HD2 LYS 10 -17.294 1.229 -2.364 88 2HD LYS 10 HD1 LYS 10 -18.005 2.467 -1.327 89 1HE LYS 10 HE2 LYS 10 -17.998 3.705 -3.265 90 2HE LYS 10 HE1 LYS 10 -16.296 3.982 -2.845 91 1HZ LYS 10 HZ1 LYS 10 -16.601 3.057 -5.109 92 2HZ LYS 10 HZ2 LYS 10 -17.275 1.659 -4.418 93 3HZ LYS 10 HZ3 LYS 10 -15.656 2.069 -4.106 94 H THR 11 HN THR 11 -14.649 0.628 2.748 95 HA THR 11 HA THR 11 -16.033 1.784 5.149 96 HB THR 11 HB THR 11 -15.650 -1.122 4.365 97 HG1 THR 11 HG1 THR 11 -17.506 -0.992 3.350 98 1HG2 THR 11 HG21 THR 11 -17.480 -1.447 6.047 99 2HG2 THR 11 HG22 THR 11 -17.340 0.262 6.463 100 3HG2 THR 11 HG23 THR 11 -15.984 -0.829 6.749 101 H LEU 12 HN LEU 12 -13.275 -0.124 3.969 102 HA LEU 12 HA LEU 12 -12.019 -0.033 6.673 103 1HB LEU 12 HB2 LEU 12 -11.410 -1.517 4.097 104 2HB LEU 12 HB1 LEU 12 -10.457 -1.674 5.573 105 HG LEU 12 HG LEU 12 -13.424 -2.062 5.730 106 1HD1 LEU 12 HD11 LEU 12 -12.671 -3.428 3.793 107 2HD1 LEU 12 HD12 LEU 12 -13.171 -4.432 5.154 108 3HD1 LEU 12 HD13 LEU 12 -11.456 -4.186 4.823 109 1HD2 LEU 12 HD21 LEU 12 -10.949 -2.947 7.195 110 2HD2 LEU 12 HD22 LEU 12 -12.438 -3.879 7.352 111 3HD2 LEU 12 HD23 LEU 12 -12.404 -2.184 7.836 112 H LYS 13 HN LYS 13 -10.006 0.993 6.986 113 HA LYS 13 HA LYS 13 -8.589 2.247 4.721 114 1HB LYS 13 HB2 LYS 13 -10.297 3.690 6.731 115 2HB LYS 13 HB1 LYS 13 -8.869 4.494 6.079 116 1HG LYS 13 HG2 LYS 13 -9.857 3.658 3.766 117 2HG LYS 13 HG1 LYS 13 -11.371 3.640 4.671 118 1HD LYS 13 HD2 LYS 13 -10.442 6.046 5.447 119 2HD LYS 13 HD1 LYS 13 -9.676 5.947 3.861 120 1HE LYS 13 HE2 LYS 13 -11.682 6.077 2.740 121 2HE LYS 13 HE1 LYS 13 -12.554 5.171 3.993 122 1HZ LYS 13 HZ1 LYS 13 -12.396 7.061 5.460 123 2HZ LYS 13 HZ2 LYS 13 -13.126 7.548 4.006 124 3HZ LYS 13 HZ3 LYS 13 -11.500 7.932 4.314 125 H GLY 14 HN GLY 14 -6.788 3.779 5.846 126 1HA GLY 14 HA2 GLY 14 -5.595 3.902 8.134 127 2HA GLY 14 HA1 GLY 14 -5.596 2.141 8.039 128 H GLU 15 HN GLU 15 -3.168 3.352 8.264 129 HA GLU 15 HA GLU 15 -2.030 3.365 5.489 130 1HB GLU 15 HB2 GLU 15 -0.210 4.690 6.553 131 2HB GLU 15 HB1 GLU 15 -1.786 5.443 6.790 132 1HG GLU 15 HG2 GLU 15 -1.919 4.698 9.051 133 2HG GLU 15 HG1 GLU 15 -0.574 3.577 8.837 134 H THR 16 HN THR 16 0.287 2.468 5.433 135 HA THR 16 HA THR 16 1.033 0.534 7.511 136 HB THR 16 HB THR 16 -0.781 -0.638 6.343 137 HG1 THR 16 HG1 THR 16 0.334 -2.445 6.161 138 1HG2 THR 16 HG21 THR 16 -0.283 -1.269 3.885 139 2HG2 THR 16 HG22 THR 16 0.837 0.094 3.899 140 3HG2 THR 16 HG23 THR 16 -0.881 0.358 4.204 141 H THR 17 HN THR 17 3.182 -0.207 7.235 142 HA THR 17 HA THR 17 4.640 0.739 4.794 143 HB THR 17 HB THR 17 6.467 1.426 6.391 144 HG1 THR 17 HG1 THR 17 5.836 0.192 8.157 145 1HG2 THR 17 HG21 THR 17 5.166 3.435 7.297 146 2HG2 THR 17 HG22 THR 17 3.739 2.711 6.556 147 3HG2 THR 17 HG23 THR 17 5.108 3.188 5.552 148 H THR 18 HN THR 18 6.641 -0.482 4.407 149 HA THR 18 HA THR 18 6.980 -2.958 6.005 150 HB THR 18 HB THR 18 5.762 -2.657 3.351 151 HG1 THR 18 HG1 THR 18 4.861 -3.907 4.935 152 1HG2 THR 18 HG21 THR 18 6.911 -4.504 2.227 153 2HG2 THR 18 HG22 THR 18 8.064 -4.626 3.557 154 3HG2 THR 18 HG23 THR 18 8.034 -3.180 2.545 155 H GLU 19 HN GLU 19 9.102 -3.999 5.491 156 HA GLU 19 HA GLU 19 11.121 -2.010 4.497 157 1HB GLU 19 HB2 GLU 19 11.054 -2.609 6.971 158 2HB GLU 19 HB1 GLU 19 11.498 -4.251 6.505 159 1HG GLU 19 HG2 GLU 19 13.385 -2.896 5.139 160 2HG GLU 19 HG1 GLU 19 13.133 -1.766 6.471 161 H ALA 20 HN ALA 20 11.896 -2.689 2.529 162 HA ALA 20 HA ALA 20 12.697 -5.524 2.184 163 1HB ALA 20 HB1 ALA 20 10.455 -4.092 0.783 164 2HB ALA 20 HB2 ALA 20 10.486 -5.730 1.438 165 3HB ALA 20 HB3 ALA 20 11.337 -5.364 -0.063 166 H VAL 21 HN VAL 21 13.590 -5.735 -0.198 167 HA VAL 21 HA VAL 21 15.811 -3.982 -0.531 168 HB VAL 21 HB VAL 21 15.617 -6.284 -1.416 169 1HG1 VAL 21 HG11 VAL 21 13.151 -5.889 -2.121 170 2HG1 VAL 21 HG12 VAL 21 14.155 -6.901 -3.159 171 3HG1 VAL 21 HG13 VAL 21 13.839 -5.224 -3.602 172 1HG2 VAL 21 HG21 VAL 21 15.961 -4.270 -3.651 173 2HG2 VAL 21 HG22 VAL 21 16.648 -5.893 -3.586 174 3HG2 VAL 21 HG23 VAL 21 17.200 -4.656 -2.457 175 H ASP 22 HN ASP 22 12.596 -3.983 -2.023 176 HA ASP 22 HA ASP 22 12.960 -1.158 -2.836 177 1HB ASP 22 HB2 ASP 22 13.934 -2.601 -4.608 178 2HB ASP 22 HB1 ASP 22 12.397 -3.456 -4.736 179 H ALA 23 HN ALA 23 10.870 -0.216 -3.521 180 HA ALA 23 HA ALA 23 8.637 -1.059 -1.943 181 1HB ALA 23 HB1 ALA 23 8.471 1.160 -2.513 182 2HB ALA 23 HB2 ALA 23 7.550 0.522 -3.874 183 3HB ALA 23 HB3 ALA 23 9.257 0.918 -4.073 184 H ALA 24 HN ALA 24 9.654 -1.887 -5.207 185 HA ALA 24 HA ALA 24 7.203 -2.921 -6.247 186 1HB ALA 24 HB1 ALA 24 9.476 -2.498 -7.373 187 2HB ALA 24 HB2 ALA 24 8.636 -3.972 -7.855 188 3HB ALA 24 HB3 ALA 24 9.974 -4.054 -6.709 189 H THR 25 HN THR 25 9.819 -4.529 -4.421 190 HA THR 25 HA THR 25 8.547 -7.117 -4.293 191 HB THR 25 HB THR 25 10.708 -5.703 -2.695 192 HG1 THR 25 HG1 THR 25 12.029 -7.034 -3.935 193 1HG2 THR 25 HG21 THR 25 11.296 -7.875 -1.730 194 2HG2 THR 25 HG22 THR 25 9.950 -8.639 -2.577 195 3HG2 THR 25 HG23 THR 25 9.633 -7.463 -1.297 196 H ALA 26 HN ALA 26 8.793 -4.426 -1.925 197 HA ALA 26 HA ALA 26 7.259 -5.625 0.144 198 1HB ALA 26 HB1 ALA 26 7.763 -2.769 -0.728 199 2HB ALA 26 HB2 ALA 26 8.528 -3.652 0.593 200 3HB ALA 26 HB3 ALA 26 6.842 -3.143 0.733 201 H GLU 27 HN GLU 27 6.171 -3.209 -2.264 202 HA GLU 27 HA GLU 27 3.481 -3.009 -1.761 203 1HB GLU 27 HB2 GLU 27 4.794 -1.882 -3.550 204 2HB GLU 27 HB1 GLU 27 4.774 -3.377 -4.484 205 1HG GLU 27 HG2 GLU 27 2.162 -3.203 -4.136 206 2HG GLU 27 HG1 GLU 27 2.520 -1.495 -3.876 207 H LYS 28 HN LYS 28 5.024 -5.801 -3.358 208 HA LYS 28 HA LYS 28 2.602 -7.135 -4.182 209 1HB LYS 28 HB2 LYS 28 5.311 -8.227 -3.314 210 2HB LYS 28 HB1 LYS 28 4.106 -9.118 -4.243 211 1HG LYS 28 HG2 LYS 28 4.452 -7.854 -6.164 212 2HG LYS 28 HG1 LYS 28 5.055 -6.462 -5.264 213 1HD LYS 28 HD2 LYS 28 7.074 -7.250 -6.036 214 2HD LYS 28 HD1 LYS 28 6.949 -8.245 -4.585 215 1HE LYS 28 HE2 LYS 28 6.497 -10.167 -5.779 216 2HE LYS 28 HE1 LYS 28 5.638 -9.289 -7.061 217 1HZ LYS 28 HZ1 LYS 28 8.570 -9.262 -6.571 218 2HZ LYS 28 HZ2 LYS 28 7.771 -8.311 -7.731 219 3HZ LYS 28 HZ3 LYS 28 7.781 -10.004 -7.876 220 H VAL 29 HN VAL 29 4.589 -7.291 -1.235 221 HA VAL 29 HA VAL 29 2.919 -9.192 0.184 222 HB VAL 29 HB VAL 29 5.052 -7.150 0.884 223 1HG1 VAL 29 HG11 VAL 29 3.503 -7.266 2.823 224 2HG1 VAL 29 HG12 VAL 29 5.069 -7.992 3.195 225 3HG1 VAL 29 HG13 VAL 29 3.682 -9.023 2.845 226 1HG2 VAL 29 HG21 VAL 29 5.589 -9.338 -0.266 227 2HG2 VAL 29 HG22 VAL 29 5.011 -10.163 1.181 228 3HG2 VAL 29 HG23 VAL 29 6.413 -9.097 1.275 229 H LEU 30 HN LEU 30 3.020 -5.639 -0.079 230 HA LEU 30 HA LEU 30 1.096 -5.103 1.977 231 1HB LEU 30 HB2 LEU 30 2.113 -3.673 -0.486 232 2HB LEU 30 HB1 LEU 30 0.872 -2.943 0.520 233 HG LEU 30 HG LEU 30 3.407 -2.377 0.943 234 1HD1 LEU 30 HD11 LEU 30 2.945 -2.177 3.406 235 2HD1 LEU 30 HD12 LEU 30 1.430 -3.047 3.123 236 3HD1 LEU 30 HD13 LEU 30 1.704 -1.480 2.358 237 1HD2 LEU 30 HD21 LEU 30 3.147 -5.041 2.347 238 2HD2 LEU 30 HD22 LEU 30 4.303 -3.818 2.822 239 3HD2 LEU 30 HD23 LEU 30 4.389 -4.512 1.216 240 H LYS 31 HN LYS 31 0.855 -5.965 -1.430 241 HA LYS 31 HA LYS 31 -1.953 -5.449 -1.849 242 1HB LYS 31 HB2 LYS 31 0.088 -6.216 -3.413 243 2HB LYS 31 HB1 LYS 31 -0.502 -7.811 -3.012 244 1HG LYS 31 HG2 LYS 31 -2.364 -5.660 -4.022 245 2HG LYS 31 HG1 LYS 31 -1.478 -6.708 -5.130 246 1HD LYS 31 HD2 LYS 31 -3.391 -7.628 -2.958 247 2HD LYS 31 HD1 LYS 31 -3.712 -7.636 -4.691 248 1HE LYS 31 HE2 LYS 31 -1.253 -8.999 -4.377 249 2HE LYS 31 HE1 LYS 31 -2.325 -9.628 -3.104 250 1HZ LYS 31 HZ1 LYS 31 -2.745 -10.828 -5.137 251 2HZ LYS 31 HZ2 LYS 31 -2.965 -9.382 -6.002 252 3HZ LYS 31 HZ3 LYS 31 -4.082 -9.838 -4.806 253 H GLN 32 HN GLN 32 -0.114 -8.278 -0.748 254 HA GLN 32 HA GLN 32 -2.214 -10.142 -0.381 255 1HB GLN 32 HB2 GLN 32 0.503 -9.629 0.702 256 2HB GLN 32 HB1 GLN 32 -0.517 -10.744 1.611 257 1HG GLN 32 HG2 GLN 32 -0.988 -11.738 -0.809 258 2HG GLN 32 HG1 GLN 32 0.585 -11.015 -1.151 259 1HE2 GLN 32 HE21 GLN 32 2.422 -11.700 0.319 260 2HE2 GLN 32 HE22 GLN 32 2.369 -13.255 1.019 261 H TYR 33 HN TYR 33 -0.999 -7.579 1.764 262 HA TYR 33 HA TYR 33 -2.684 -8.138 4.044 263 1HB TYR 33 HB2 TYR 33 -0.687 -6.715 4.122 264 2HB TYR 33 HB1 TYR 33 -1.407 -5.593 2.968 265 HD1 TYR 33 HD1 TYR 33 -1.757 -7.040 6.358 266 HD2 TYR 33 HD2 TYR 33 -2.933 -3.904 3.675 267 HE1 TYR 33 HE1 TYR 33 -2.862 -5.866 8.226 268 HE2 TYR 33 HE2 TYR 33 -4.036 -2.718 5.549 269 HH TYR 33 HH TYR 33 -3.536 -2.876 8.379 270 H ILE 34 HN ILE 34 -3.041 -6.114 1.155 271 HA ILE 34 HA ILE 34 -5.597 -4.949 1.810 272 HB ILE 34 HB ILE 34 -4.207 -5.544 -0.822 273 1HG1 ILE 34 HG12 ILE 34 -3.034 -4.126 0.995 274 2HG1 ILE 34 HG11 ILE 34 -3.140 -3.443 -0.622 275 1HG2 ILE 34 HG21 ILE 34 -6.574 -5.083 -1.203 276 2HG2 ILE 34 HG22 ILE 34 -5.608 -3.709 -1.739 277 3HG2 ILE 34 HG23 ILE 34 -6.476 -3.632 -0.206 278 1HD1 ILE 34 HD11 ILE 34 -4.793 -1.905 0.013 279 2HD1 ILE 34 HD12 ILE 34 -3.755 -1.954 1.439 280 3HD1 ILE 34 HD13 ILE 34 -5.273 -2.853 1.420 281 H ASN 35 HN ASN 35 -4.592 -8.011 0.398 282 HA ASN 35 HA ASN 35 -7.005 -8.859 -0.842 283 1HB ASN 35 HB2 ASN 35 -4.676 -9.885 -0.884 284 2HB ASN 35 HB1 ASN 35 -5.036 -10.570 0.700 285 1HD2 ASN 35 HD21 ASN 35 -4.651 -11.966 -1.973 286 2HD2 ASN 35 HD22 ASN 35 -6.064 -12.882 -2.191 287 H ASP 36 HN ASP 36 -6.083 -8.716 2.548 288 HA ASP 36 HA ASP 36 -8.233 -10.447 3.509 289 1HB ASP 36 HB2 ASP 36 -5.978 -9.970 4.591 290 2HB ASP 36 HB1 ASP 36 -6.604 -8.374 5.005 291 H ASN 37 HN ASN 37 -7.615 -6.923 3.794 292 HA ASN 37 HA ASN 37 -10.173 -6.228 4.862 293 1HB ASN 37 HB2 ASN 37 -8.212 -4.661 3.149 294 2HB ASN 37 HB1 ASN 37 -9.506 -3.946 4.117 295 1HD2 ASN 37 HD21 ASN 37 -8.700 -3.147 6.053 296 2HD2 ASN 37 HD22 ASN 37 -7.451 -3.864 6.967 297 H GLY 38 HN GLY 38 -9.060 -6.721 1.551 298 1HA GLY 38 HA2 GLY 38 -10.413 -7.181 -0.348 299 2HA GLY 38 HA1 GLY 38 -11.842 -6.788 0.609 300 H ILE 39 HN ILE 39 -9.063 -4.649 0.425 301 HA ILE 39 HA ILE 39 -10.760 -2.689 -1.086 302 HB ILE 39 HB ILE 39 -8.523 -2.291 0.931 303 1HG1 ILE 39 HG12 ILE 39 -10.585 -3.169 1.957 304 2HG1 ILE 39 HG11 ILE 39 -10.339 -1.481 2.413 305 1HG2 ILE 39 HG21 ILE 39 -10.240 -0.370 -0.643 306 2HG2 ILE 39 HG22 ILE 39 -8.484 -0.393 -0.485 307 3HG2 ILE 39 HG23 ILE 39 -9.485 0.103 0.880 308 1HD1 ILE 39 HD11 ILE 39 -12.502 -2.696 0.830 309 2HD1 ILE 39 HD12 ILE 39 -11.819 -1.247 0.094 310 3HD1 ILE 39 HD13 ILE 39 -12.481 -1.178 1.727 311 H ASP 40 HN ASP 40 -9.793 -3.901 -3.033 312 HA ASP 40 HA ASP 40 -7.085 -2.783 -3.692 313 1HB ASP 40 HB2 ASP 40 -7.132 -5.237 -3.271 314 2HB ASP 40 HB1 ASP 40 -8.353 -5.412 -4.537 315 H GLY 41 HN GLY 41 -7.503 -1.140 -5.138 316 1HA GLY 41 HA2 GLY 41 -9.217 -1.787 -7.489 317 2HA GLY 41 HA1 GLY 41 -9.508 -0.287 -6.603 318 H GLU 42 HN GLU 42 -7.739 1.302 -6.543 319 HA GLU 42 HA GLU 42 -5.828 1.000 -8.840 320 1HB GLU 42 HB2 GLU 42 -7.925 2.952 -8.209 321 2HB GLU 42 HB1 GLU 42 -6.368 3.720 -8.511 322 1HG GLU 42 HG2 GLU 42 -6.923 3.545 -10.703 323 2HG GLU 42 HG1 GLU 42 -6.461 1.852 -10.528 324 H TRP 43 HN TRP 43 -3.761 1.017 -8.069 325 HA TRP 43 HA TRP 43 -3.168 2.377 -5.480 326 1HB TRP 43 HB2 TRP 43 -1.693 0.396 -7.242 327 2HB TRP 43 HB1 TRP 43 -0.975 1.126 -5.820 328 HD1 TRP 43 HD1 TRP 43 -4.652 -0.038 -5.913 329 HE1 TRP 43 HE1 TRP 43 -4.907 -1.979 -4.252 330 HE3 TRP 43 HE3 TRP 43 0.205 -0.651 -4.566 331 HZ2 TRP 43 HZ2 TRP 43 -3.267 -3.560 -2.534 332 HZ3 TRP 43 HZ3 TRP 43 0.842 -2.372 -2.887 333 HH2 TRP 43 HH2 TRP 43 -0.882 -3.820 -1.874 334 H THR 44 HN THR 44 -1.234 3.767 -5.396 335 HA THR 44 HA THR 44 -0.170 4.757 -7.980 336 HB THR 44 HB THR 44 -0.753 7.081 -7.387 337 HG1 THR 44 HG1 THR 44 -0.957 7.156 -5.256 338 1HG2 THR 44 HG21 THR 44 -3.241 5.371 -7.212 339 2HG2 THR 44 HG22 THR 44 -2.323 5.565 -8.705 340 3HG2 THR 44 HG23 THR 44 -3.074 6.967 -7.944 341 H TYR 45 HN TYR 45 1.979 5.137 -7.734 342 HA TYR 45 HA TYR 45 3.140 5.072 -5.001 343 1HB TYR 45 HB2 TYR 45 3.940 3.594 -6.846 344 2HB TYR 45 HB1 TYR 45 4.402 5.024 -7.766 345 HD1 TYR 45 HD1 TYR 45 6.697 5.373 -7.751 346 HD2 TYR 45 HD2 TYR 45 4.775 3.960 -4.180 347 HE1 TYR 45 HE1 TYR 45 8.866 5.446 -6.555 348 HE2 TYR 45 HE2 TYR 45 6.945 4.033 -2.983 349 HH TYR 45 HH TYR 45 9.602 5.677 -4.096 350 H ASP 46 HN ASP 46 4.798 6.739 -4.430 351 HA ASP 46 HA ASP 46 4.758 9.223 -6.075 352 1HB ASP 46 HB2 ASP 46 4.094 9.183 -3.111 353 2HB ASP 46 HB1 ASP 46 4.063 10.578 -4.183 354 H ASP 47 HN ASP 47 6.903 9.616 -6.363 355 HA ASP 47 HA ASP 47 9.011 8.655 -4.659 356 1HB ASP 47 HB2 ASP 47 10.388 10.192 -6.061 357 2HB ASP 47 HB1 ASP 47 9.285 9.222 -7.037 358 H ALA 48 HN ALA 48 6.862 11.347 -4.362 359 HA ALA 48 HA ALA 48 8.279 13.377 -3.085 360 1HB ALA 48 HB1 ALA 48 5.544 12.156 -2.772 361 2HB ALA 48 HB2 ALA 48 5.991 13.711 -3.483 362 3HB ALA 48 HB3 ALA 48 6.025 13.500 -1.732 363 H THR 49 HN THR 49 6.697 10.641 -1.388 364 HA THR 49 HA THR 49 8.838 10.766 0.694 365 HB THR 49 HB THR 49 6.919 12.105 1.448 366 HG1 THR 49 HG1 THR 49 7.940 10.864 3.014 367 1HG2 THR 49 HG21 THR 49 4.887 10.209 1.854 368 2HG2 THR 49 HG22 THR 49 5.430 9.947 0.197 369 3HG2 THR 49 HG23 THR 49 4.871 11.542 0.700 370 H LYS 50 HN LYS 50 8.562 8.868 -1.424 371 HA LYS 50 HA LYS 50 8.211 6.577 -1.908 372 1HB LYS 50 HB2 LYS 50 9.449 5.203 -0.241 373 2HB LYS 50 HB1 LYS 50 10.309 6.677 -0.677 374 1HG LYS 50 HG2 LYS 50 9.665 7.749 1.380 375 2HG LYS 50 HG1 LYS 50 8.548 6.442 1.778 376 1HD LYS 50 HD2 LYS 50 11.440 5.797 1.311 377 2HD LYS 50 HD1 LYS 50 10.963 6.511 2.851 378 1HE LYS 50 HE2 LYS 50 10.413 4.410 3.516 379 2HE LYS 50 HE1 LYS 50 9.050 4.500 2.383 380 1HZ LYS 50 HZ1 LYS 50 10.514 2.616 1.885 381 2HZ LYS 50 HZ2 LYS 50 11.820 3.680 1.674 382 3HZ LYS 50 HZ3 LYS 50 10.494 3.738 0.614 383 H THR 51 HN THR 51 5.733 7.353 -1.364 384 HA THR 51 HA THR 51 4.669 5.363 0.617 385 HB THR 51 HB THR 51 3.566 8.039 -0.316 386 HG1 THR 51 HG1 THR 51 5.389 8.155 1.072 387 1HG2 THR 51 HG21 THR 51 1.985 7.683 1.619 388 2HG2 THR 51 HG22 THR 51 2.577 6.025 1.717 389 3HG2 THR 51 HG23 THR 51 1.739 6.578 0.267 390 H TRP 52 HN TRP 52 2.383 4.628 -0.019 391 HA TRP 52 HA TRP 52 2.099 4.427 -3.004 392 1HB TRP 52 HB2 TRP 52 2.013 2.393 -0.789 393 2HB TRP 52 HB1 TRP 52 1.149 2.103 -2.290 394 HD1 TRP 52 HD1 TRP 52 4.627 2.245 -0.829 395 HE1 TRP 52 HE1 TRP 52 6.316 1.454 -2.617 396 HE3 TRP 52 HE3 TRP 52 1.551 2.020 -4.848 397 HZ2 TRP 52 HZ2 TRP 52 6.332 0.799 -5.418 398 HZ3 TRP 52 HZ3 TRP 52 2.399 1.306 -7.074 399 HH2 TRP 52 HH2 TRP 52 4.787 0.695 -7.360 400 H THR 53 HN THR 53 -0.265 3.144 -3.204 401 HA THR 53 HA THR 53 -2.270 4.294 -1.376 402 HB THR 53 HB THR 53 -2.426 4.953 -4.317 403 HG1 THR 53 HG1 THR 53 -0.559 5.926 -3.722 404 1HG2 THR 53 HG21 THR 53 -3.614 6.980 -3.023 405 2HG2 THR 53 HG22 THR 53 -3.820 5.723 -1.803 406 3HG2 THR 53 HG23 THR 53 -4.471 5.492 -3.426 407 H VAL 54 HN VAL 54 -4.527 3.617 -2.137 408 HA VAL 54 HA VAL 54 -4.916 1.524 -4.077 409 HB VAL 54 HB VAL 54 -3.585 0.117 -2.671 410 1HG1 VAL 54 HG11 VAL 54 -3.370 1.472 -0.717 411 2HG1 VAL 54 HG12 VAL 54 -4.060 -0.065 -0.198 412 3HG1 VAL 54 HG13 VAL 54 -5.092 1.352 -0.370 413 1HG2 VAL 54 HG21 VAL 54 -6.016 -0.702 -3.218 414 2HG2 VAL 54 HG22 VAL 54 -6.282 -0.497 -1.487 415 3HG2 VAL 54 HG23 VAL 54 -5.041 -1.615 -2.061 416 H THR 55 HN THR 55 -6.831 2.661 -4.529 417 HA THR 55 HA THR 55 -8.805 3.075 -2.334 418 HB THR 55 HB THR 55 -9.010 3.929 -5.227 419 HG1 THR 55 HG1 THR 55 -7.079 4.748 -4.669 420 1HG2 THR 55 HG21 THR 55 -10.806 4.154 -3.252 421 2HG2 THR 55 HG22 THR 55 -10.604 5.408 -4.477 422 3HG2 THR 55 HG23 THR 55 -9.843 5.588 -2.895 423 H GLU 56 HN GLU 56 -10.827 2.045 -2.365 424 HA GLU 56 HA GLU 56 -11.056 -0.463 -3.814 425 1HB GLU 56 HB2 GLU 56 -11.953 0.191 -1.504 426 2HB GLU 56 HB1 GLU 56 -13.227 1.067 -2.355 427 1HG GLU 56 HG2 GLU 56 -12.727 -1.745 -3.203 428 2HG GLU 56 HG1 GLU 56 -13.501 -1.508 -1.636 Start of MODEL 30 1 1H THR 1 HT1 THR 1 14.877 6.373 5.109 2 2H THR 1 HT2 THR 1 14.500 5.000 6.035 3 3H THR 1 HT3 THR 1 13.339 6.219 5.805 4 HA THR 1 HA THR 1 13.303 5.726 3.406 5 HB THR 1 HB THR 1 15.080 3.421 4.256 6 HG1 THR 1 HG1 THR 1 15.772 5.826 2.922 7 1HG2 THR 1 HG21 THR 1 14.619 4.530 1.488 8 2HG2 THR 1 HG22 THR 1 13.561 3.301 2.180 9 3HG2 THR 1 HG23 THR 1 15.274 2.957 1.942 10 H THR 2 HN THR 2 11.174 5.500 4.561 11 HA THR 2 HA THR 2 10.479 2.615 5.023 12 HB THR 2 HB THR 2 9.339 5.086 6.370 13 HG1 THR 2 HG1 THR 2 10.767 4.771 7.911 14 1HG2 THR 2 HG21 THR 2 9.125 2.237 7.315 15 2HG2 THR 2 HG22 THR 2 7.984 2.879 6.134 16 3HG2 THR 2 HG23 THR 2 8.110 3.618 7.730 17 H PHE 3 HN PHE 3 8.956 1.907 3.590 18 HA PHE 3 HA PHE 3 7.644 3.716 1.723 19 1HB PHE 3 HB2 PHE 3 7.259 0.767 2.350 20 2HB PHE 3 HB1 PHE 3 6.648 1.588 0.914 21 HD1 PHE 3 HD1 PHE 3 8.735 3.269 -0.038 22 HD2 PHE 3 HD2 PHE 3 9.084 -0.591 1.820 23 HE1 PHE 3 HE1 PHE 3 10.918 2.924 -1.162 24 HE2 PHE 3 HE2 PHE 3 11.267 -0.933 0.695 25 HZ PHE 3 HZ PHE 3 12.184 0.824 -0.795 26 H LYS 4 HN LYS 4 5.241 3.809 1.491 27 HA LYS 4 HA LYS 4 3.710 3.281 4.002 28 1HB LYS 4 HB2 LYS 4 4.736 5.621 3.890 29 2HB LYS 4 HB1 LYS 4 3.671 5.921 2.522 30 1HG LYS 4 HG2 LYS 4 1.707 5.420 3.904 31 2HG LYS 4 HG1 LYS 4 2.750 5.072 5.281 32 1HD LYS 4 HD2 LYS 4 3.132 7.275 5.717 33 2HD LYS 4 HD1 LYS 4 3.224 7.698 4.007 34 1HE LYS 4 HE2 LYS 4 1.032 8.309 3.940 35 2HE LYS 4 HE1 LYS 4 0.522 6.876 4.854 36 1HZ LYS 4 HZ1 LYS 4 0.270 9.025 6.079 37 2HZ LYS 4 HZ2 LYS 4 1.963 9.168 6.071 38 3HZ LYS 4 HZ3 LYS 4 1.221 7.870 6.877 39 H LEU 5 HN LEU 5 1.391 3.260 3.640 40 HA LEU 5 HA LEU 5 0.353 3.536 0.893 41 1HB LEU 5 HB2 LEU 5 1.433 1.155 1.459 42 2HB LEU 5 HB1 LEU 5 -0.122 0.901 2.239 43 HG LEU 5 HG LEU 5 -0.419 2.127 -0.403 44 1HD1 LEU 5 HD11 LEU 5 1.690 0.574 -0.567 45 2HD1 LEU 5 HD12 LEU 5 0.426 0.453 -1.797 46 3HD1 LEU 5 HD13 LEU 5 0.505 -0.735 -0.485 47 1HD2 LEU 5 HD21 LEU 5 -1.450 -0.428 0.870 48 2HD2 LEU 5 HD22 LEU 5 -2.035 0.251 -0.648 49 3HD2 LEU 5 HD23 LEU 5 -2.268 1.134 0.861 50 H ILE 6 HN ILE 6 -1.756 4.230 1.028 51 HA ILE 6 HA ILE 6 -3.063 4.173 3.716 52 HB ILE 6 HB ILE 6 -3.426 5.866 1.227 53 1HG1 ILE 6 HG12 ILE 6 -1.332 6.265 2.483 54 2HG1 ILE 6 HG11 ILE 6 -2.423 7.644 2.606 55 1HG2 ILE 6 HG21 ILE 6 -4.673 7.255 3.196 56 2HG2 ILE 6 HG22 ILE 6 -5.036 5.606 3.706 57 3HG2 ILE 6 HG23 ILE 6 -5.518 6.160 2.102 58 1HD1 ILE 6 HD11 ILE 6 -3.241 6.660 4.800 59 2HD1 ILE 6 HD12 ILE 6 -1.571 7.227 4.817 60 3HD1 ILE 6 HD13 ILE 6 -1.916 5.503 4.686 61 H ILE 7 HN ILE 7 -4.982 3.086 3.981 62 HA ILE 7 HA ILE 7 -5.983 1.412 1.771 63 HB ILE 7 HB ILE 7 -6.831 1.759 4.669 64 1HG1 ILE 7 HG12 ILE 7 -5.177 -0.462 3.442 65 2HG1 ILE 7 HG11 ILE 7 -4.450 0.959 4.194 66 1HG2 ILE 7 HG21 ILE 7 -7.474 -0.386 2.622 67 2HG2 ILE 7 HG22 ILE 7 -8.614 0.759 3.329 68 3HG2 ILE 7 HG23 ILE 7 -7.873 -0.484 4.337 69 1HD1 ILE 7 HD11 ILE 7 -6.084 0.338 6.185 70 2HD1 ILE 7 HD12 ILE 7 -4.530 -0.478 6.015 71 3HD1 ILE 7 HD13 ILE 7 -6.006 -1.267 5.458 72 H ASN 8 HN ASN 8 -7.434 2.315 0.366 73 HA ASN 8 HA ASN 8 -9.352 4.370 1.406 74 1HB ASN 8 HB2 ASN 8 -7.946 3.847 -1.198 75 2HB ASN 8 HB1 ASN 8 -9.473 4.729 -1.214 76 1HD2 ASN 8 HD21 ASN 8 -8.182 6.665 -1.912 77 2HD2 ASN 8 HD22 ASN 8 -7.324 7.559 -0.740 78 H GLY 9 HN GLY 9 -10.082 1.813 2.007 79 1HA GLY 9 HA2 GLY 9 -11.686 0.614 -0.124 80 2HA GLY 9 HA1 GLY 9 -11.623 0.073 1.557 81 H LYS 10 HN LYS 10 -14.025 0.433 -0.029 82 HA LYS 10 HA LYS 10 -15.435 2.828 0.392 83 1HB LYS 10 HB2 LYS 10 -16.315 -0.069 0.340 84 2HB LYS 10 HB1 LYS 10 -17.437 1.290 0.249 85 1HG LYS 10 HG2 LYS 10 -15.750 2.055 -1.682 86 2HG LYS 10 HG1 LYS 10 -15.472 0.316 -1.776 87 1HD LYS 10 HD2 LYS 10 -17.271 0.593 -3.244 88 2HD LYS 10 HD1 LYS 10 -18.091 0.168 -1.741 89 1HE LYS 10 HE2 LYS 10 -18.708 2.428 -1.309 90 2HE LYS 10 HE1 LYS 10 -17.559 3.050 -2.511 91 1HZ LYS 10 HZ1 LYS 10 -19.970 1.394 -3.032 92 2HZ LYS 10 HZ2 LYS 10 -18.795 1.752 -4.206 93 3HZ LYS 10 HZ3 LYS 10 -19.715 3.000 -3.513 94 H THR 11 HN THR 11 -14.710 0.231 2.646 95 HA THR 11 HA THR 11 -16.133 1.760 4.803 96 HB THR 11 HB THR 11 -15.854 -1.249 4.522 97 HG1 THR 11 HG1 THR 11 -17.306 -0.870 3.032 98 1HG2 THR 11 HG21 THR 11 -17.859 -1.025 6.180 99 2HG2 THR 11 HG22 THR 11 -17.232 0.601 6.452 100 3HG2 THR 11 HG23 THR 11 -16.220 -0.803 6.792 101 H LEU 12 HN LEU 12 -13.534 -0.568 4.043 102 HA LEU 12 HA LEU 12 -12.239 -0.144 6.662 103 1HB LEU 12 HB2 LEU 12 -11.521 -1.729 4.174 104 2HB LEU 12 HB1 LEU 12 -10.641 -1.813 5.700 105 HG LEU 12 HG LEU 12 -13.595 -2.217 5.800 106 1HD1 LEU 12 HD11 LEU 12 -12.714 -3.559 3.829 107 2HD1 LEU 12 HD12 LEU 12 -13.461 -4.514 5.110 108 3HD1 LEU 12 HD13 LEU 12 -11.704 -4.435 4.979 109 1HD2 LEU 12 HD21 LEU 12 -11.869 -2.227 7.744 110 2HD2 LEU 12 HD22 LEU 12 -11.405 -3.813 7.127 111 3HD2 LEU 12 HD23 LEU 12 -13.054 -3.532 7.686 112 H LYS 13 HN LYS 13 -10.445 1.158 6.987 113 HA LYS 13 HA LYS 13 -8.943 2.236 4.666 114 1HB LYS 13 HB2 LYS 13 -10.953 3.655 6.304 115 2HB LYS 13 HB1 LYS 13 -9.429 4.522 6.112 116 1HG LYS 13 HG2 LYS 13 -9.730 4.833 3.864 117 2HG LYS 13 HG1 LYS 13 -10.533 3.277 3.652 118 1HD LYS 13 HD2 LYS 13 -12.385 4.604 3.406 119 2HD LYS 13 HD1 LYS 13 -12.386 4.527 5.169 120 1HE LYS 13 HE2 LYS 13 -10.650 6.637 4.006 121 2HE LYS 13 HE1 LYS 13 -12.397 6.878 3.801 122 1HZ LYS 13 HZ1 LYS 13 -12.737 6.525 6.128 123 2HZ LYS 13 HZ2 LYS 13 -11.538 7.717 5.956 124 3HZ LYS 13 HZ3 LYS 13 -11.107 6.126 6.369 125 H GLY 14 HN GLY 14 -7.315 4.009 5.797 126 1HA GLY 14 HA2 GLY 14 -6.222 4.284 8.126 127 2HA GLY 14 HA1 GLY 14 -6.052 2.530 8.060 128 H GLU 15 HN GLU 15 -3.698 3.495 8.342 129 HA GLU 15 HA GLU 15 -2.504 3.752 5.599 130 1HB GLU 15 HB2 GLU 15 -0.819 5.230 6.700 131 2HB GLU 15 HB1 GLU 15 -2.455 5.873 6.830 132 1HG GLU 15 HG2 GLU 15 -2.548 5.552 9.097 133 2HG GLU 15 HG1 GLU 15 -1.581 4.080 9.035 134 H THR 16 HN THR 16 -0.189 2.975 5.545 135 HA THR 16 HA THR 16 0.717 1.206 7.712 136 HB THR 16 HB THR 16 -1.004 -0.147 6.595 137 HG1 THR 16 HG1 THR 16 0.293 -1.756 6.825 138 1HG2 THR 16 HG21 THR 16 -1.169 0.764 4.417 139 2HG2 THR 16 HG22 THR 16 -0.471 -0.834 4.165 140 3HG2 THR 16 HG23 THR 16 0.562 0.596 4.118 141 H THR 17 HN THR 17 2.919 0.616 7.447 142 HA THR 17 HA THR 17 4.287 1.594 4.966 143 HB THR 17 HB THR 17 6.069 2.455 6.528 144 HG1 THR 17 HG1 THR 17 5.484 1.179 8.318 145 1HG2 THR 17 HG21 THR 17 4.645 4.392 7.375 146 2HG2 THR 17 HG22 THR 17 3.253 3.537 6.713 147 3HG2 THR 17 HG23 THR 17 4.549 4.071 5.644 148 H THR 18 HN THR 18 6.368 0.509 4.593 149 HA THR 18 HA THR 18 6.888 -1.899 6.247 150 HB THR 18 HB THR 18 5.595 -1.765 3.627 151 HG1 THR 18 HG1 THR 18 4.834 -3.091 5.185 152 1HG2 THR 18 HG21 THR 18 7.911 -2.087 2.776 153 2HG2 THR 18 HG22 THR 18 6.869 -3.474 2.452 154 3HG2 THR 18 HG23 THR 18 8.052 -3.545 3.759 155 H GLU 19 HN GLU 19 9.072 -2.779 5.810 156 HA GLU 19 HA GLU 19 10.943 -0.726 4.668 157 1HB GLU 19 HB2 GLU 19 10.880 -1.161 7.192 158 2HB GLU 19 HB1 GLU 19 11.511 -2.768 6.833 159 1HG GLU 19 HG2 GLU 19 13.249 -1.299 5.392 160 2HG GLU 19 HG1 GLU 19 12.855 -0.120 6.643 161 H ALA 20 HN ALA 20 11.786 -1.500 2.767 162 HA ALA 20 HA ALA 20 12.740 -4.314 2.649 163 1HB ALA 20 HB1 ALA 20 10.727 -4.809 1.682 164 2HB ALA 20 HB2 ALA 20 11.461 -4.091 0.248 165 3HB ALA 20 HB3 ALA 20 10.401 -3.123 1.275 166 H VAL 21 HN VAL 21 13.647 -4.585 0.219 167 HA VAL 21 HA VAL 21 15.891 -2.842 -0.071 168 HB VAL 21 HB VAL 21 15.685 -5.168 -0.929 169 1HG1 VAL 21 HG11 VAL 21 14.338 -5.756 -2.786 170 2HG1 VAL 21 HG12 VAL 21 13.990 -4.068 -3.160 171 3HG1 VAL 21 HG13 VAL 21 13.281 -4.817 -1.730 172 1HG2 VAL 21 HG21 VAL 21 17.449 -3.966 -1.942 173 2HG2 VAL 21 HG22 VAL 21 16.335 -2.953 -2.861 174 3HG2 VAL 21 HG23 VAL 21 16.557 -4.646 -3.303 175 H ASP 22 HN ASP 22 12.736 -2.903 -1.637 176 HA ASP 22 HA ASP 22 13.066 -0.102 -2.541 177 1HB ASP 22 HB2 ASP 22 12.629 -2.543 -4.285 178 2HB ASP 22 HB1 ASP 22 12.477 -0.880 -4.875 179 H ALA 23 HN ALA 23 10.961 0.779 -3.286 180 HA ALA 23 HA ALA 23 8.746 0.034 -1.644 181 1HB ALA 23 HB1 ALA 23 9.258 1.785 -4.017 182 2HB ALA 23 HB2 ALA 23 8.665 2.222 -2.415 183 3HB ALA 23 HB3 ALA 23 7.579 1.467 -3.582 184 H ALA 24 HN ALA 24 9.629 -0.884 -4.954 185 HA ALA 24 HA ALA 24 7.211 -2.089 -5.818 186 1HB ALA 24 HB1 ALA 24 10.145 -2.463 -6.332 187 2HB ALA 24 HB2 ALA 24 8.886 -1.897 -7.430 188 3HB ALA 24 HB3 ALA 24 9.009 -3.613 -7.038 189 H THR 25 HN THR 25 9.935 -3.546 -4.017 190 HA THR 25 HA THR 25 8.807 -6.173 -3.762 191 HB THR 25 HB THR 25 10.838 -4.552 -2.188 192 HG1 THR 25 HG1 THR 25 12.225 -6.076 -3.277 193 1HG2 THR 25 HG21 THR 25 9.839 -6.286 -0.710 194 2HG2 THR 25 HG22 THR 25 11.528 -6.636 -1.094 195 3HG2 THR 25 HG23 THR 25 10.237 -7.515 -1.915 196 H ALA 26 HN ALA 26 8.743 -3.323 -1.606 197 HA ALA 26 HA ALA 26 7.315 -4.502 0.544 198 1HB ALA 26 HB1 ALA 26 6.688 -2.072 0.998 199 2HB ALA 26 HB2 ALA 26 7.461 -1.674 -0.541 200 3HB ALA 26 HB3 ALA 26 8.415 -2.369 0.770 201 H GLU 27 HN GLU 27 5.948 -2.329 -1.976 202 HA GLU 27 HA GLU 27 3.268 -2.503 -1.394 203 1HB GLU 27 HB2 GLU 27 2.892 -2.018 -3.778 204 2HB GLU 27 HB1 GLU 27 4.289 -1.135 -3.170 205 1HG GLU 27 HG2 GLU 27 5.765 -2.316 -4.460 206 2HG GLU 27 HG1 GLU 27 4.856 -3.814 -4.323 207 H LYS 28 HN LYS 28 5.171 -5.127 -2.785 208 HA LYS 28 HA LYS 28 2.927 -6.725 -3.703 209 1HB LYS 28 HB2 LYS 28 5.729 -7.468 -2.768 210 2HB LYS 28 HB1 LYS 28 4.653 -8.524 -3.683 211 1HG LYS 28 HG2 LYS 28 4.831 -7.241 -5.631 212 2HG LYS 28 HG1 LYS 28 5.325 -5.795 -4.749 213 1HD LYS 28 HD2 LYS 28 7.407 -6.391 -5.480 214 2HD LYS 28 HD1 LYS 28 7.355 -7.467 -4.084 215 1HE LYS 28 HE2 LYS 28 7.943 -8.938 -5.833 216 2HE LYS 28 HE1 LYS 28 6.180 -9.130 -5.766 217 1HZ LYS 28 HZ1 LYS 28 7.016 -8.643 -8.031 218 2HZ LYS 28 HZ2 LYS 28 7.586 -7.144 -7.471 219 3HZ LYS 28 HZ3 LYS 28 5.921 -7.480 -7.463 220 H VAL 29 HN VAL 29 4.842 -6.557 -0.710 221 HA VAL 29 HA VAL 29 3.345 -8.605 0.719 222 HB VAL 29 HB VAL 29 5.277 -6.366 1.399 223 1HG1 VAL 29 HG11 VAL 29 4.040 -8.294 3.395 224 2HG1 VAL 29 HG12 VAL 29 3.711 -6.559 3.319 225 3HG1 VAL 29 HG13 VAL 29 5.328 -7.136 3.734 226 1HG2 VAL 29 HG21 VAL 29 5.958 -8.586 0.322 227 2HG2 VAL 29 HG22 VAL 29 5.526 -9.343 1.856 228 3HG2 VAL 29 HG23 VAL 29 6.815 -8.141 1.798 229 H LEU 30 HN LEU 30 3.107 -5.072 0.360 230 HA LEU 30 HA LEU 30 1.109 -4.672 2.383 231 1HB LEU 30 HB2 LEU 30 1.982 -3.202 -0.114 232 2HB LEU 30 HB1 LEU 30 0.700 -2.573 0.904 233 HG LEU 30 HG LEU 30 3.203 -1.787 1.252 234 1HD1 LEU 30 HD11 LEU 30 1.299 -2.504 3.480 235 2HD1 LEU 30 HD12 LEU 30 1.442 -0.959 2.639 236 3HD1 LEU 30 HD13 LEU 30 2.743 -1.509 3.704 237 1HD2 LEU 30 HD21 LEU 30 3.140 -4.390 2.792 238 2HD2 LEU 30 HD22 LEU 30 4.227 -3.070 3.172 239 3HD2 LEU 30 HD23 LEU 30 4.325 -3.851 1.607 240 H LYS 31 HN LYS 31 1.024 -5.637 -1.006 241 HA LYS 31 HA LYS 31 -1.801 -5.404 -1.509 242 1HB LYS 31 HB2 LYS 31 0.336 -6.047 -2.991 243 2HB LYS 31 HB1 LYS 31 -0.115 -7.672 -2.534 244 1HG LYS 31 HG2 LYS 31 -2.140 -5.747 -3.678 245 2HG LYS 31 HG1 LYS 31 -1.131 -6.751 -4.719 246 1HD LYS 31 HD2 LYS 31 -3.011 -7.757 -2.556 247 2HD LYS 31 HD1 LYS 31 -3.280 -7.866 -4.294 248 1HE LYS 31 HE2 LYS 31 -0.716 -8.979 -3.864 249 2HE LYS 31 HE1 LYS 31 -1.759 -9.652 -2.589 250 1HZ LYS 31 HZ1 LYS 31 -3.413 -10.200 -4.254 251 2HZ LYS 31 HZ2 LYS 31 -1.933 -10.926 -4.666 252 3HZ LYS 31 HZ3 LYS 31 -2.453 -9.530 -5.482 253 H GLN 32 HN GLN 32 0.246 -8.010 -0.243 254 HA GLN 32 HA GLN 32 -1.693 -10.035 0.156 255 1HB GLN 32 HB2 GLN 32 0.953 -9.256 1.230 256 2HB GLN 32 HB1 GLN 32 0.009 -10.360 2.231 257 1HG GLN 32 HG2 GLN 32 -0.370 -11.674 0.015 258 2HG GLN 32 HG1 GLN 32 1.024 -10.766 -0.570 259 1HE2 GLN 32 HE21 GLN 32 0.093 -13.538 1.213 260 2HE2 GLN 32 HE22 GLN 32 1.619 -13.905 1.882 261 H TYR 33 HN TYR 33 -0.779 -7.269 2.195 262 HA TYR 33 HA TYR 33 -2.499 -7.887 4.445 263 1HB TYR 33 HB2 TYR 33 -0.616 -6.325 4.572 264 2HB TYR 33 HB1 TYR 33 -1.341 -5.300 3.335 265 HD1 TYR 33 HD1 TYR 33 -1.795 -6.639 6.756 266 HD2 TYR 33 HD2 TYR 33 -3.000 -3.685 3.887 267 HE1 TYR 33 HE1 TYR 33 -3.079 -5.471 8.509 268 HE2 TYR 33 HE2 TYR 33 -4.284 -2.503 5.646 269 HH TYR 33 HH TYR 33 -5.408 -3.252 7.920 270 H ILE 34 HN ILE 34 -2.860 -5.952 1.488 271 HA ILE 34 HA ILE 34 -5.522 -4.970 1.971 272 HB ILE 34 HB ILE 34 -3.972 -5.585 -0.567 273 1HG1 ILE 34 HG12 ILE 34 -3.000 -3.985 1.212 274 2HG1 ILE 34 HG11 ILE 34 -3.095 -3.388 -0.441 275 1HG2 ILE 34 HG21 ILE 34 -6.371 -5.335 -1.040 276 2HG2 ILE 34 HG22 ILE 34 -5.467 -3.957 -1.667 277 3HG2 ILE 34 HG23 ILE 34 -6.390 -3.798 -0.173 278 1HD1 ILE 34 HD11 ILE 34 -3.968 -1.953 1.645 279 2HD1 ILE 34 HD12 ILE 34 -5.434 -2.888 1.349 280 3HD1 ILE 34 HD13 ILE 34 -4.761 -1.878 0.071 281 H ASN 35 HN ASN 35 -4.232 -7.993 0.702 282 HA ASN 35 HA ASN 35 -6.546 -9.076 -0.549 283 1HB ASN 35 HB2 ASN 35 -4.139 -9.903 -0.535 284 2HB ASN 35 HB1 ASN 35 -4.459 -10.571 1.065 285 1HD2 ASN 35 HD21 ASN 35 -4.316 -12.805 0.371 286 2HD2 ASN 35 HD22 ASN 35 -5.480 -13.506 -0.647 287 H ASP 36 HN ASP 36 -5.673 -8.782 2.847 288 HA ASP 36 HA ASP 36 -7.716 -10.639 3.819 289 1HB ASP 36 HB2 ASP 36 -5.766 -8.654 4.969 290 2HB ASP 36 HB1 ASP 36 -7.011 -9.356 6.003 291 H ASN 37 HN ASN 37 -7.315 -7.077 3.902 292 HA ASN 37 HA ASN 37 -9.880 -6.485 5.033 293 1HB ASN 37 HB2 ASN 37 -8.067 -4.893 3.184 294 2HB ASN 37 HB1 ASN 37 -9.377 -4.209 4.153 295 1HD2 ASN 37 HD21 ASN 37 -8.618 -3.305 6.060 296 2HD2 ASN 37 HD22 ASN 37 -7.283 -3.876 6.956 297 H GLY 38 HN GLY 38 -8.816 -7.044 1.710 298 1HA GLY 38 HA2 GLY 38 -10.194 -7.708 -0.116 299 2HA GLY 38 HA1 GLY 38 -11.618 -7.340 0.858 300 H ILE 39 HN ILE 39 -8.959 -5.077 0.458 301 HA ILE 39 HA ILE 39 -10.799 -3.302 -1.114 302 HB ILE 39 HB ILE 39 -8.555 -2.650 0.829 303 1HG1 ILE 39 HG12 ILE 39 -10.535 -3.606 1.949 304 2HG1 ILE 39 HG11 ILE 39 -10.386 -1.886 2.314 305 1HG2 ILE 39 HG21 ILE 39 -10.503 -0.898 -0.693 306 2HG2 ILE 39 HG22 ILE 39 -8.743 -0.885 -0.803 307 3HG2 ILE 39 HG23 ILE 39 -9.538 -0.328 0.669 308 1HD1 ILE 39 HD11 ILE 39 -11.991 -1.488 0.351 309 2HD1 ILE 39 HD12 ILE 39 -12.689 -2.220 1.795 310 3HD1 ILE 39 HD13 ILE 39 -12.306 -3.222 0.395 311 H ASP 40 HN ASP 40 -9.795 -4.557 -3.009 312 HA ASP 40 HA ASP 40 -7.116 -3.410 -3.736 313 1HB ASP 40 HB2 ASP 40 -8.383 -6.092 -3.928 314 2HB ASP 40 HB1 ASP 40 -7.423 -5.597 -5.327 315 H GLY 41 HN GLY 41 -7.859 -1.592 -4.906 316 1HA GLY 41 HA2 GLY 41 -9.500 -2.220 -7.328 317 2HA GLY 41 HA1 GLY 41 -9.765 -0.746 -6.392 318 H GLU 42 HN GLU 42 -8.084 0.889 -6.409 319 HA GLU 42 HA GLU 42 -6.092 0.582 -8.632 320 1HB GLU 42 HB2 GLU 42 -8.353 2.409 -8.255 321 2HB GLU 42 HB1 GLU 42 -6.842 3.274 -8.536 322 1HG GLU 42 HG2 GLU 42 -6.621 2.481 -10.674 323 2HG GLU 42 HG1 GLU 42 -7.365 0.929 -10.288 324 H TRP 43 HN TRP 43 -4.064 0.868 -7.834 325 HA TRP 43 HA TRP 43 -3.675 2.363 -5.283 326 1HB TRP 43 HB2 TRP 43 -1.951 0.528 -6.976 327 2HB TRP 43 HB1 TRP 43 -1.361 1.342 -5.539 328 HD1 TRP 43 HD1 TRP 43 -4.912 -0.128 -5.600 329 HE1 TRP 43 HE1 TRP 43 -4.980 -2.127 -3.992 330 HE3 TRP 43 HE3 TRP 43 0.021 -0.437 -4.393 331 HZ2 TRP 43 HZ2 TRP 43 -3.189 -3.634 -2.364 332 HZ3 TRP 43 HZ3 TRP 43 0.814 -2.154 -2.784 333 HH2 TRP 43 HH2 TRP 43 -0.778 -3.744 -1.773 334 H THR 44 HN THR 44 -1.753 3.845 -5.221 335 HA THR 44 HA THR 44 -0.846 4.940 -7.820 336 HB THR 44 HB THR 44 -1.546 7.214 -7.195 337 HG1 THR 44 HG1 THR 44 -2.947 7.402 -5.360 338 1HG2 THR 44 HG21 THR 44 -3.104 5.575 -8.408 339 2HG2 THR 44 HG22 THR 44 -3.862 6.982 -7.663 340 3HG2 THR 44 HG23 THR 44 -3.945 5.411 -6.867 341 H TYR 45 HN TYR 45 1.288 5.442 -7.632 342 HA TYR 45 HA TYR 45 2.535 5.356 -4.940 343 1HB TYR 45 HB2 TYR 45 3.383 3.973 -6.804 344 2HB TYR 45 HB1 TYR 45 3.662 5.426 -7.763 345 HD1 TYR 45 HD1 TYR 45 4.369 4.408 -4.214 346 HD2 TYR 45 HD2 TYR 45 5.908 5.997 -7.895 347 HE1 TYR 45 HE1 TYR 45 6.600 4.678 -3.165 348 HE2 TYR 45 HE2 TYR 45 8.138 6.268 -6.846 349 HH TYR 45 HH TYR 45 9.374 5.077 -4.823 350 H ASP 46 HN ASP 46 4.164 7.052 -4.389 351 HA ASP 46 HA ASP 46 3.822 9.649 -5.832 352 1HB ASP 46 HB2 ASP 46 3.651 9.274 -2.819 353 2HB ASP 46 HB1 ASP 46 3.438 10.783 -3.700 354 H ASP 47 HN ASP 47 5.813 10.507 -6.227 355 HA ASP 47 HA ASP 47 8.239 9.322 -5.159 356 1HB ASP 47 HB2 ASP 47 7.970 10.319 -7.421 357 2HB ASP 47 HB1 ASP 47 7.759 11.906 -6.678 358 H ALA 48 HN ALA 48 6.076 11.589 -3.822 359 HA ALA 48 HA ALA 48 7.691 13.545 -2.586 360 1HB ALA 48 HB1 ALA 48 5.789 13.176 -0.751 361 2HB ALA 48 HB2 ALA 48 5.115 12.126 -2.000 362 3HB ALA 48 HB3 ALA 48 5.396 13.836 -2.339 363 H THR 49 HN THR 49 6.414 10.732 -0.805 364 HA THR 49 HA THR 49 9.077 10.418 0.538 365 HB THR 49 HB THR 49 7.521 11.691 1.959 366 HG1 THR 49 HG1 THR 49 7.913 10.495 3.678 367 1HG2 THR 49 HG21 THR 49 5.570 9.694 2.561 368 2HG2 THR 49 HG22 THR 49 5.595 9.911 0.810 369 3HG2 THR 49 HG23 THR 49 5.310 11.294 1.868 370 H LYS 50 HN LYS 50 7.894 8.915 -1.678 371 HA LYS 50 HA LYS 50 7.543 6.691 -2.348 372 1HB LYS 50 HB2 LYS 50 8.836 6.198 0.355 373 2HB LYS 50 HB1 LYS 50 8.730 5.031 -0.961 374 1HG LYS 50 HG2 LYS 50 10.162 6.330 -2.363 375 2HG LYS 50 HG1 LYS 50 10.053 7.729 -1.295 376 1HD LYS 50 HD2 LYS 50 11.571 6.882 0.198 377 2HD LYS 50 HD1 LYS 50 11.054 5.216 -0.065 378 1HE LYS 50 HE2 LYS 50 12.539 4.892 -1.789 379 2HE LYS 50 HE1 LYS 50 12.368 6.557 -2.379 380 1HZ LYS 50 HZ1 LYS 50 13.709 5.815 0.166 381 2HZ LYS 50 HZ2 LYS 50 13.636 7.361 -0.534 382 3HZ LYS 50 HZ3 LYS 50 14.534 6.128 -1.282 383 H THR 51 HN THR 51 5.234 7.823 -1.341 384 HA THR 51 HA THR 51 4.079 5.873 0.598 385 HB THR 51 HB THR 51 3.064 8.474 -0.609 386 HG1 THR 51 HG1 THR 51 4.138 7.799 1.924 387 1HG2 THR 51 HG21 THR 51 1.893 6.542 1.383 388 2HG2 THR 51 HG22 THR 51 1.111 7.318 0.005 389 3HG2 THR 51 HG23 THR 51 1.485 8.257 1.451 390 H TRP 52 HN TRP 52 1.791 5.107 0.001 391 HA TRP 52 HA TRP 52 1.482 4.700 -2.954 392 1HB TRP 52 HB2 TRP 52 1.554 2.739 -0.667 393 2HB TRP 52 HB1 TRP 52 0.744 2.344 -2.175 394 HD1 TRP 52 HD1 TRP 52 4.178 2.796 -0.661 395 HE1 TRP 52 HE1 TRP 52 5.955 2.091 -2.398 396 HE3 TRP 52 HE3 TRP 52 1.200 2.211 -4.716 397 HZ2 TRP 52 HZ2 TRP 52 6.074 1.363 -5.175 398 HZ3 TRP 52 HZ3 TRP 52 2.143 1.508 -6.909 399 HH2 TRP 52 HH2 TRP 52 4.578 1.082 -7.138 400 H THR 53 HN THR 53 -0.790 3.268 -3.036 401 HA THR 53 HA THR 53 -2.826 4.314 -1.185 402 HB THR 53 HB THR 53 -3.001 4.966 -4.135 403 HG1 THR 53 HG1 THR 53 -1.447 6.312 -3.672 404 1HG2 THR 53 HG21 THR 53 -4.483 6.818 -2.966 405 2HG2 THR 53 HG22 THR 53 -4.538 5.639 -1.656 406 3HG2 THR 53 HG23 THR 53 -5.133 5.205 -3.259 407 H VAL 54 HN VAL 54 -5.072 3.497 -1.979 408 HA VAL 54 HA VAL 54 -5.197 1.279 -3.848 409 HB VAL 54 HB VAL 54 -3.885 0.166 -2.138 410 1HG1 VAL 54 HG11 VAL 54 -5.266 0.045 0.198 411 2HG1 VAL 54 HG12 VAL 54 -5.686 1.669 -0.344 412 3HG1 VAL 54 HG13 VAL 54 -3.996 1.221 -0.132 413 1HG2 VAL 54 HG21 VAL 54 -6.580 -0.823 -1.323 414 2HG2 VAL 54 HG22 VAL 54 -5.169 -1.729 -1.879 415 3HG2 VAL 54 HG23 VAL 54 -6.191 -0.877 -3.043 416 H THR 55 HN THR 55 -7.022 2.733 -4.387 417 HA THR 55 HA THR 55 -9.261 2.909 -2.461 418 HB THR 55 HB THR 55 -9.169 3.794 -5.352 419 HG1 THR 55 HG1 THR 55 -8.302 5.753 -4.481 420 1HG2 THR 55 HG21 THR 55 -10.722 4.507 -2.884 421 2HG2 THR 55 HG22 THR 55 -11.309 4.195 -4.517 422 3HG2 THR 55 HG23 THR 55 -10.496 5.716 -4.148 423 H GLU 56 HN GLU 56 -11.077 1.613 -2.567 424 HA GLU 56 HA GLU 56 -11.099 -0.814 -4.094 425 1HB GLU 56 HB2 GLU 56 -12.411 0.207 -1.933 426 2HB GLU 56 HB1 GLU 56 -13.674 0.329 -3.158 427 1HG GLU 56 HG2 GLU 56 -13.063 -2.115 -3.749 428 2HG GLU 56 HG1 GLU 56 -12.231 -2.138 -2.193 Start of MODEL 31 1 1H THR 1 HT1 THR 1 14.940 2.777 3.298 2 2H THR 1 HT2 THR 1 15.573 4.313 2.942 3 3H THR 1 HT3 THR 1 14.366 3.639 1.955 4 HA THR 1 HA THR 1 14.074 4.619 4.745 5 HB THR 1 HB THR 1 12.402 6.067 3.522 6 HG1 THR 1 HG1 THR 1 11.927 5.255 1.642 7 1HG2 THR 1 HG21 THR 1 14.057 7.563 2.639 8 2HG2 THR 1 HG22 THR 1 15.182 6.238 2.342 9 3HG2 THR 1 HG23 THR 1 14.807 6.723 3.996 10 H THR 2 HN THR 2 11.708 4.508 5.408 11 HA THR 2 HA THR 2 10.686 1.784 5.008 12 HB THR 2 HB THR 2 9.434 4.097 6.510 13 HG1 THR 2 HG1 THR 2 11.541 2.358 7.260 14 1HG2 THR 2 HG21 THR 2 8.129 1.995 6.269 15 2HG2 THR 2 HG22 THR 2 8.575 2.314 7.945 16 3HG2 THR 2 HG23 THR 2 9.460 1.108 7.011 17 H PHE 3 HN PHE 3 9.099 1.241 3.564 18 HA PHE 3 HA PHE 3 8.016 3.179 1.700 19 1HB PHE 3 HB2 PHE 3 7.277 0.300 2.333 20 2HB PHE 3 HB1 PHE 3 6.776 1.178 0.888 21 HD1 PHE 3 HD1 PHE 3 9.063 2.618 -0.031 22 HD2 PHE 3 HD2 PHE 3 8.930 -1.269 1.806 23 HE1 PHE 3 HE1 PHE 3 11.203 2.022 -1.131 24 HE2 PHE 3 HE2 PHE 3 11.070 -1.859 0.703 25 HZ PHE 3 HZ PHE 3 12.207 -0.214 -0.763 26 H LYS 4 HN LYS 4 5.508 3.211 1.362 27 HA LYS 4 HA LYS 4 3.983 3.106 3.916 28 1HB LYS 4 HB2 LYS 4 5.243 5.356 3.432 29 2HB LYS 4 HB1 LYS 4 3.973 5.604 2.236 30 1HG LYS 4 HG2 LYS 4 2.306 5.104 4.111 31 2HG LYS 4 HG1 LYS 4 3.666 5.258 5.220 32 1HD LYS 4 HD2 LYS 4 3.177 7.469 5.237 33 2HD LYS 4 HD1 LYS 4 3.955 7.505 3.655 34 1HE LYS 4 HE2 LYS 4 1.604 6.829 2.737 35 2HE LYS 4 HE1 LYS 4 1.010 7.414 4.303 36 1HZ LYS 4 HZ1 LYS 4 1.182 9.170 2.554 37 2HZ LYS 4 HZ2 LYS 4 2.867 8.954 2.572 38 3HZ LYS 4 HZ3 LYS 4 2.063 9.502 3.965 39 H LEU 5 HN LEU 5 1.680 3.151 3.568 40 HA LEU 5 HA LEU 5 0.634 3.296 0.808 41 1HB LEU 5 HB2 LEU 5 1.559 0.897 1.592 42 2HB LEU 5 HB1 LEU 5 -0.025 0.816 2.351 43 HG LEU 5 HG LEU 5 -0.218 1.836 -0.377 44 1HD1 LEU 5 HD11 LEU 5 0.569 0.023 -1.635 45 2HD1 LEU 5 HD12 LEU 5 0.609 -1.056 -0.231 46 3HD1 LEU 5 HD13 LEU 5 1.833 0.208 -0.411 47 1HD2 LEU 5 HD21 LEU 5 -1.380 -0.517 1.141 48 2HD2 LEU 5 HD22 LEU 5 -1.851 -0.092 -0.505 49 3HD2 LEU 5 HD23 LEU 5 -2.155 1.035 0.817 50 H ILE 6 HN ILE 6 -1.480 4.034 0.864 51 HA ILE 6 HA ILE 6 -2.749 4.322 3.560 52 HB ILE 6 HB ILE 6 -3.026 5.815 0.935 53 1HG1 ILE 6 HG12 ILE 6 -0.905 6.167 2.187 54 2HG1 ILE 6 HG11 ILE 6 -1.890 7.629 2.128 55 1HG2 ILE 6 HG21 ILE 6 -5.163 5.793 2.193 56 2HG2 ILE 6 HG22 ILE 6 -4.444 7.403 2.165 57 3HG2 ILE 6 HG23 ILE 6 -4.320 6.407 3.616 58 1HD1 ILE 6 HD11 ILE 6 -1.063 7.363 4.390 59 2HD1 ILE 6 HD12 ILE 6 -1.634 5.697 4.447 60 3HD1 ILE 6 HD13 ILE 6 -2.793 7.022 4.397 61 H ILE 7 HN ILE 7 -4.791 3.480 3.900 62 HA ILE 7 HA ILE 7 -5.876 1.644 1.849 63 HB ILE 7 HB ILE 7 -6.643 2.259 4.724 64 1HG1 ILE 7 HG12 ILE 7 -5.119 -0.109 3.600 65 2HG1 ILE 7 HG11 ILE 7 -4.337 1.296 4.325 66 1HG2 ILE 7 HG21 ILE 7 -7.940 0.206 4.639 67 2HG2 ILE 7 HG22 ILE 7 -7.400 -0.112 2.990 68 3HG2 ILE 7 HG23 ILE 7 -8.469 1.252 3.321 69 1HD1 ILE 7 HD11 ILE 7 -4.503 -0.098 6.176 70 2HD1 ILE 7 HD12 ILE 7 -6.016 -0.818 5.626 71 3HD1 ILE 7 HD13 ILE 7 -6.011 0.806 6.314 72 H ASN 8 HN ASN 8 -7.234 2.580 0.367 73 HA ASN 8 HA ASN 8 -9.084 4.752 1.285 74 1HB ASN 8 HB2 ASN 8 -7.737 4.023 -1.314 75 2HB ASN 8 HB1 ASN 8 -9.160 5.065 -1.310 76 1HD2 ASN 8 HD21 ASN 8 -7.811 6.906 -2.019 77 2HD2 ASN 8 HD22 ASN 8 -6.777 7.693 -0.914 78 H GLY 9 HN GLY 9 -9.942 2.266 1.998 79 1HA GLY 9 HA2 GLY 9 -11.552 1.022 -0.103 80 2HA GLY 9 HA1 GLY 9 -11.555 0.577 1.609 81 H LYS 10 HN LYS 10 -13.931 0.866 0.064 82 HA LYS 10 HA LYS 10 -15.260 3.336 0.192 83 1HB LYS 10 HB2 LYS 10 -16.202 0.480 0.505 84 2HB LYS 10 HB1 LYS 10 -17.311 1.840 0.324 85 1HG LYS 10 HG2 LYS 10 -15.107 1.720 -1.656 86 2HG LYS 10 HG1 LYS 10 -16.311 0.437 -1.780 87 1HD LYS 10 HD2 LYS 10 -18.022 1.899 -2.306 88 2HD LYS 10 HD1 LYS 10 -17.288 3.240 -1.426 89 1HE LYS 10 HE2 LYS 10 -15.981 3.874 -3.217 90 2HE LYS 10 HE1 LYS 10 -15.794 2.208 -3.799 91 1HZ LYS 10 HZ1 LYS 10 -17.287 3.327 -5.268 92 2HZ LYS 10 HZ2 LYS 10 -18.227 3.904 -3.975 93 3HZ LYS 10 HZ3 LYS 10 -18.203 2.244 -4.338 94 H THR 11 HN THR 11 -14.487 1.102 2.778 95 HA THR 11 HA THR 11 -15.774 2.970 4.732 96 HB THR 11 HB THR 11 -15.874 -0.064 4.764 97 HG1 THR 11 HG1 THR 11 -17.454 0.253 3.436 98 1HG2 THR 11 HG21 THR 11 -15.914 1.113 6.985 99 2HG2 THR 11 HG22 THR 11 -17.385 0.206 6.633 100 3HG2 THR 11 HG23 THR 11 -17.366 1.960 6.452 101 H LEU 12 HN LEU 12 -13.494 0.253 4.272 102 HA LEU 12 HA LEU 12 -12.135 0.738 6.821 103 1HB LEU 12 HB2 LEU 12 -11.556 -0.977 4.385 104 2HB LEU 12 HB1 LEU 12 -10.621 -1.044 5.880 105 HG LEU 12 HG LEU 12 -13.610 -1.335 5.983 106 1HD1 LEU 12 HD11 LEU 12 -13.056 -2.985 4.343 107 2HD1 LEU 12 HD12 LEU 12 -13.164 -3.847 5.877 108 3HD1 LEU 12 HD13 LEU 12 -11.585 -3.443 5.202 109 1HD2 LEU 12 HD21 LEU 12 -11.873 -1.116 7.963 110 2HD2 LEU 12 HD22 LEU 12 -11.579 -2.821 7.621 111 3HD2 LEU 12 HD23 LEU 12 -13.194 -2.279 8.075 112 H LYS 13 HN LYS 13 -10.181 1.825 7.108 113 HA LYS 13 HA LYS 13 -8.623 2.766 4.778 114 1HB LYS 13 HB2 LYS 13 -10.310 4.491 6.589 115 2HB LYS 13 HB1 LYS 13 -8.888 5.158 5.786 116 1HG LYS 13 HG2 LYS 13 -9.988 3.982 3.660 117 2HG LYS 13 HG1 LYS 13 -11.461 4.209 4.603 118 1HD LYS 13 HD2 LYS 13 -11.039 6.595 4.786 119 2HD LYS 13 HD1 LYS 13 -9.474 6.415 3.994 120 1HE LYS 13 HE2 LYS 13 -10.893 5.347 2.044 121 2HE LYS 13 HE1 LYS 13 -12.226 6.249 2.793 122 1HZ LYS 13 HZ1 LYS 13 -10.885 8.244 2.743 123 2HZ LYS 13 HZ2 LYS 13 -11.014 7.608 1.173 124 3HZ LYS 13 HZ3 LYS 13 -9.582 7.397 2.063 125 H GLY 14 HN GLY 14 -6.842 4.393 5.818 126 1HA GLY 14 HA2 GLY 14 -5.751 4.717 8.144 127 2HA GLY 14 HA1 GLY 14 -5.753 2.954 8.194 128 H GLU 15 HN GLU 15 -3.371 4.477 8.340 129 HA GLU 15 HA GLU 15 -2.110 4.184 5.650 130 1HB GLU 15 HB2 GLU 15 -1.909 6.328 6.845 131 2HB GLU 15 HB1 GLU 15 -1.230 5.500 8.245 132 1HG GLU 15 HG2 GLU 15 0.734 4.849 6.993 133 2HG GLU 15 HG1 GLU 15 0.032 5.444 5.489 134 H THR 16 HN THR 16 -0.023 3.055 5.528 135 HA THR 16 HA THR 16 0.769 1.349 7.812 136 HB THR 16 HB THR 16 -1.074 0.121 6.744 137 HG1 THR 16 HG1 THR 16 1.422 -0.991 5.998 138 1HG2 THR 16 HG21 THR 16 -1.132 0.975 4.530 139 2HG2 THR 16 HG22 THR 16 -0.631 -0.705 4.351 140 3HG2 THR 16 HG23 THR 16 0.566 0.587 4.245 141 H THR 17 HN THR 17 2.899 0.525 7.567 142 HA THR 17 HA THR 17 4.357 1.239 5.051 143 HB THR 17 HB THR 17 6.149 2.191 6.459 144 HG1 THR 17 HG1 THR 17 6.142 1.571 8.448 145 1HG2 THR 17 HG21 THR 17 3.727 3.373 5.875 146 2HG2 THR 17 HG22 THR 17 5.134 4.217 6.522 147 3HG2 THR 17 HG23 THR 17 3.870 3.647 7.612 148 H THR 18 HN THR 18 6.368 -0.006 4.805 149 HA THR 18 HA THR 18 6.694 -2.308 6.649 150 HB THR 18 HB THR 18 5.497 -2.280 3.973 151 HG1 THR 18 HG1 THR 18 4.603 -3.386 5.662 152 1HG2 THR 18 HG21 THR 18 7.777 -2.851 3.222 153 2HG2 THR 18 HG22 THR 18 6.671 -4.215 3.033 154 3HG2 THR 18 HG23 THR 18 7.823 -4.191 4.369 155 H GLU 19 HN GLU 19 8.820 -3.406 6.240 156 HA GLU 19 HA GLU 19 10.854 -1.507 5.110 157 1HB GLU 19 HB2 GLU 19 10.852 -1.814 7.586 158 2HB GLU 19 HB1 GLU 19 11.082 -3.547 7.351 159 1HG GLU 19 HG2 GLU 19 13.107 -2.628 5.822 160 2HG GLU 19 HG1 GLU 19 13.015 -1.315 6.997 161 H ALA 20 HN ALA 20 11.634 -2.342 3.204 162 HA ALA 20 HA ALA 20 12.439 -5.195 3.094 163 1HB ALA 20 HB1 ALA 20 10.210 -3.879 1.563 164 2HB ALA 20 HB2 ALA 20 10.231 -5.457 2.353 165 3HB ALA 20 HB3 ALA 20 11.095 -5.220 0.834 166 H VAL 21 HN VAL 21 13.384 -5.606 0.777 167 HA VAL 21 HA VAL 21 15.583 -3.856 0.306 168 HB VAL 21 HB VAL 21 15.441 -6.238 -0.346 169 1HG1 VAL 21 HG11 VAL 21 12.981 -5.961 -1.127 170 2HG1 VAL 21 HG12 VAL 21 14.021 -7.053 -2.041 171 3HG1 VAL 21 HG13 VAL 21 13.686 -5.435 -2.656 172 1HG2 VAL 21 HG21 VAL 21 16.521 -6.051 -2.510 173 2HG2 VAL 21 HG22 VAL 21 17.007 -4.673 -1.522 174 3HG2 VAL 21 HG23 VAL 21 15.785 -4.470 -2.778 175 H ASP 22 HN ASP 22 12.393 -4.066 -1.223 176 HA ASP 22 HA ASP 22 12.725 -1.334 -2.320 177 1HB ASP 22 HB2 ASP 22 13.737 -2.939 -3.923 178 2HB ASP 22 HB1 ASP 22 12.215 -3.828 -3.973 179 H ALA 23 HN ALA 23 10.630 -0.480 -3.073 180 HA ALA 23 HA ALA 23 8.391 -1.200 -1.454 181 1HB ALA 23 HB1 ALA 23 8.962 0.519 -3.826 182 2HB ALA 23 HB2 ALA 23 8.261 0.958 -2.269 183 3HB ALA 23 HB3 ALA 23 7.268 0.165 -3.491 184 H ALA 24 HN ALA 24 9.465 -2.369 -4.589 185 HA ALA 24 HA ALA 24 7.041 -3.541 -5.546 186 1HB ALA 24 HB1 ALA 24 8.622 -4.959 -6.852 187 2HB ALA 24 HB2 ALA 24 9.940 -4.412 -5.816 188 3HB ALA 24 HB3 ALA 24 9.107 -3.263 -6.863 189 H THR 25 HN THR 25 9.650 -4.906 -3.521 190 HA THR 25 HA THR 25 8.404 -7.480 -3.126 191 HB THR 25 HB THR 25 10.531 -5.873 -1.671 192 HG1 THR 25 HG1 THR 25 11.289 -6.555 -3.573 193 1HG2 THR 25 HG21 THR 25 9.455 -7.473 -0.093 194 2HG2 THR 25 HG22 THR 25 11.125 -7.917 -0.459 195 3HG2 THR 25 HG23 THR 25 9.795 -8.784 -1.227 196 H ALA 26 HN ALA 26 8.583 -4.541 -1.071 197 HA ALA 26 HA ALA 26 7.037 -5.520 1.101 198 1HB ALA 26 HB1 ALA 26 7.491 -2.768 -0.084 199 2HB ALA 26 HB2 ALA 26 8.281 -3.485 1.319 200 3HB ALA 26 HB3 ALA 26 6.585 -3.003 1.416 201 H GLU 27 HN GLU 27 5.942 -3.395 -1.565 202 HA GLU 27 HA GLU 27 3.245 -3.197 -1.118 203 1HB GLU 27 HB2 GLU 27 4.560 -2.238 -3.000 204 2HB GLU 27 HB1 GLU 27 4.574 -3.823 -3.774 205 1HG GLU 27 HG2 GLU 27 1.964 -3.673 -3.492 206 2HG GLU 27 HG1 GLU 27 2.270 -1.941 -3.361 207 H LYS 28 HN LYS 28 4.858 -6.117 -2.376 208 HA LYS 28 HA LYS 28 2.477 -7.574 -3.099 209 1HB LYS 28 HB2 LYS 28 5.185 -8.508 -2.065 210 2HB LYS 28 HB1 LYS 28 4.012 -9.528 -2.898 211 1HG LYS 28 HG2 LYS 28 4.355 -8.483 -4.950 212 2HG LYS 28 HG1 LYS 28 4.929 -6.989 -4.207 213 1HD LYS 28 HD2 LYS 28 6.970 -7.822 -4.855 214 2HD LYS 28 HD1 LYS 28 6.837 -8.668 -3.313 215 1HE LYS 28 HE2 LYS 28 5.734 -10.584 -4.558 216 2HE LYS 28 HE1 LYS 28 6.175 -9.759 -6.066 217 1HZ LYS 28 HZ1 LYS 28 8.461 -9.751 -5.419 218 2HZ LYS 28 HZ2 LYS 28 7.892 -11.345 -5.273 219 3HZ LYS 28 HZ3 LYS 28 8.096 -10.382 -3.888 220 H VAL 29 HN VAL 29 4.398 -7.378 -0.110 221 HA VAL 29 HA VAL 29 2.707 -9.133 1.470 222 HB VAL 29 HB VAL 29 4.824 -7.020 1.986 223 1HG1 VAL 29 HG11 VAL 29 4.798 -7.603 4.376 224 2HG1 VAL 29 HG12 VAL 29 3.418 -8.669 4.115 225 3HG1 VAL 29 HG13 VAL 29 3.239 -6.925 3.897 226 1HG2 VAL 29 HG21 VAL 29 5.814 -9.009 1.244 227 2HG2 VAL 29 HG22 VAL 29 4.636 -10.021 2.079 228 3HG2 VAL 29 HG23 VAL 29 5.887 -9.182 2.997 229 H LEU 30 HN LEU 30 2.811 -5.621 0.854 230 HA LEU 30 HA LEU 30 0.831 -4.893 2.796 231 1HB LEU 30 HB2 LEU 30 1.895 -3.705 0.225 232 2HB LEU 30 HB1 LEU 30 0.640 -2.886 1.138 233 HG LEU 30 HG LEU 30 3.163 -2.270 1.538 234 1HD1 LEU 30 HD11 LEU 30 1.433 -1.258 2.843 235 2HD1 LEU 30 HD12 LEU 30 2.673 -1.837 3.962 236 3HD1 LEU 30 HD13 LEU 30 1.172 -2.748 3.755 237 1HD2 LEU 30 HD21 LEU 30 4.067 -3.520 3.533 238 2HD2 LEU 30 HD22 LEU 30 4.129 -4.386 2.012 239 3HD2 LEU 30 HD23 LEU 30 2.893 -4.779 3.203 240 H LYS 31 HN LYS 31 0.686 -6.110 -0.505 241 HA LYS 31 HA LYS 31 -2.102 -5.629 -1.064 242 1HB LYS 31 HB2 LYS 31 -0.027 -6.563 -2.478 243 2HB LYS 31 HB1 LYS 31 -0.631 -8.106 -1.926 244 1HG LYS 31 HG2 LYS 31 -2.457 -6.075 -3.213 245 2HG LYS 31 HG1 LYS 31 -1.544 -7.236 -4.175 246 1HD LYS 31 HD2 LYS 31 -3.523 -7.915 -1.975 247 2HD LYS 31 HD1 LYS 31 -3.792 -8.111 -3.706 248 1HE LYS 31 HE2 LYS 31 -1.349 -9.433 -3.176 249 2HE LYS 31 HE1 LYS 31 -2.457 -9.918 -1.871 250 1HZ LYS 31 HZ1 LYS 31 -4.130 -10.474 -3.477 251 2HZ LYS 31 HZ2 LYS 31 -2.701 -11.281 -3.917 252 3HZ LYS 31 HZ3 LYS 31 -3.185 -9.885 -4.756 253 H GLN 32 HN GLN 32 -0.314 -8.326 0.384 254 HA GLN 32 HA GLN 32 -2.435 -10.135 0.891 255 1HB GLN 32 HB2 GLN 32 0.265 -9.526 1.963 256 2HB GLN 32 HB1 GLN 32 -0.780 -10.523 2.976 257 1HG GLN 32 HG2 GLN 32 -1.131 -12.091 1.129 258 2HG GLN 32 HG1 GLN 32 -0.151 -11.080 0.067 259 1HE2 GLN 32 HE21 GLN 32 0.242 -12.440 3.400 260 2HE2 GLN 32 HE22 GLN 32 1.827 -13.011 3.130 261 H TYR 33 HN TYR 33 -1.255 -7.361 2.778 262 HA TYR 33 HA TYR 33 -2.987 -7.675 5.068 263 1HB TYR 33 HB2 TYR 33 -0.990 -6.251 5.036 264 2HB TYR 33 HB1 TYR 33 -1.685 -5.257 3.756 265 HD1 TYR 33 HD1 TYR 33 -2.097 -6.333 7.274 266 HD2 TYR 33 HD2 TYR 33 -3.231 -3.512 4.247 267 HE1 TYR 33 HE1 TYR 33 -3.241 -4.971 8.983 268 HE2 TYR 33 HE2 TYR 33 -4.374 -2.135 5.960 269 HH TYR 33 HH TYR 33 -5.199 -3.236 8.953 270 H ILE 34 HN ILE 34 -3.289 -5.967 1.974 271 HA ILE 34 HA ILE 34 -5.854 -4.739 2.453 272 HB ILE 34 HB ILE 34 -4.434 -5.627 -0.078 273 1HG1 ILE 34 HG12 ILE 34 -3.283 -4.009 1.603 274 2HG1 ILE 34 HG11 ILE 34 -3.327 -3.550 -0.093 275 1HG2 ILE 34 HG21 ILE 34 -6.663 -5.203 -0.734 276 2HG2 ILE 34 HG22 ILE 34 -5.815 -3.696 -1.076 277 3HG2 ILE 34 HG23 ILE 34 -6.818 -3.834 0.367 278 1HD1 ILE 34 HD11 ILE 34 -4.774 -1.812 0.285 279 2HD1 ILE 34 HD12 ILE 34 -4.053 -1.880 1.894 280 3HD1 ILE 34 HD13 ILE 34 -5.611 -2.652 1.591 281 H ASN 35 HN ASN 35 -4.833 -7.940 1.417 282 HA ASN 35 HA ASN 35 -7.224 -8.918 0.228 283 1HB ASN 35 HB2 ASN 35 -4.892 -9.939 0.345 284 2HB ASN 35 HB1 ASN 35 -5.290 -10.455 1.984 285 1HD2 ASN 35 HD21 ASN 35 -5.865 -11.093 -1.418 286 2HD2 ASN 35 HD22 ASN 35 -6.847 -12.459 -1.193 287 H ASP 36 HN ASP 36 -6.318 -8.492 3.610 288 HA ASP 36 HA ASP 36 -8.528 -10.060 4.697 289 1HB ASP 36 HB2 ASP 36 -6.318 -8.299 5.648 290 2HB ASP 36 HB1 ASP 36 -7.691 -8.504 6.737 291 H ASN 37 HN ASN 37 -7.901 -6.611 4.087 292 HA ASN 37 HA ASN 37 -10.408 -5.706 5.281 293 1HB ASN 37 HB2 ASN 37 -8.346 -4.437 3.449 294 2HB ASN 37 HB1 ASN 37 -9.676 -3.551 4.202 295 1HD2 ASN 37 HD21 ASN 37 -8.977 -2.479 6.045 296 2HD2 ASN 37 HD22 ASN 37 -7.813 -3.070 7.143 297 H GLY 38 HN GLY 38 -9.318 -6.677 2.078 298 1HA GLY 38 HA2 GLY 38 -10.651 -7.281 0.217 299 2HA GLY 38 HA1 GLY 38 -12.082 -6.798 1.127 300 H ILE 39 HN ILE 39 -9.154 -4.952 0.247 301 HA ILE 39 HA ILE 39 -10.924 -3.037 -1.240 302 HB ILE 39 HB ILE 39 -8.592 -2.461 0.622 303 1HG1 ILE 39 HG12 ILE 39 -10.618 -3.185 1.831 304 2HG1 ILE 39 HG11 ILE 39 -10.321 -1.465 2.091 305 1HG2 ILE 39 HG21 ILE 39 -8.835 -0.852 -1.271 306 2HG2 ILE 39 HG22 ILE 39 -9.152 -0.109 0.297 307 3HG2 ILE 39 HG23 ILE 39 -10.495 -0.545 -0.759 308 1HD1 ILE 39 HD11 ILE 39 -12.487 -1.186 1.474 309 2HD1 ILE 39 HD12 ILE 39 -12.581 -2.794 0.757 310 3HD1 ILE 39 HD13 ILE 39 -11.910 -1.454 -0.171 311 H ASP 40 HN ASP 40 -10.121 -4.359 -3.132 312 HA ASP 40 HA ASP 40 -7.294 -3.689 -3.881 313 1HB ASP 40 HB2 ASP 40 -7.950 -6.094 -3.628 314 2HB ASP 40 HB1 ASP 40 -9.152 -5.863 -4.902 315 H GLY 41 HN GLY 41 -7.259 -1.969 -5.272 316 1HA GLY 41 HA2 GLY 41 -9.023 -2.010 -7.640 317 2HA GLY 41 HA1 GLY 41 -9.177 -0.601 -6.584 318 H GLU 42 HN GLU 42 -7.663 1.020 -6.752 319 HA GLU 42 HA GLU 42 -5.346 0.531 -8.597 320 1HB GLU 42 HB2 GLU 42 -7.130 2.942 -8.137 321 2HB GLU 42 HB1 GLU 42 -5.672 2.987 -9.130 322 1HG GLU 42 HG2 GLU 42 -6.600 1.198 -10.566 323 2HG GLU 42 HG1 GLU 42 -8.067 1.183 -9.586 324 H TRP 43 HN TRP 43 -3.390 0.779 -7.620 325 HA TRP 43 HA TRP 43 -3.251 2.102 -4.967 326 1HB TRP 43 HB2 TRP 43 -1.475 0.249 -6.550 327 2HB TRP 43 HB1 TRP 43 -0.932 1.016 -5.068 328 HD1 TRP 43 HD1 TRP 43 -4.541 -0.253 -5.437 329 HE1 TRP 43 HE1 TRP 43 -4.863 -2.224 -3.815 330 HE3 TRP 43 HE3 TRP 43 0.237 -0.802 -3.793 331 HZ2 TRP 43 HZ2 TRP 43 -3.298 -3.801 -2.020 332 HZ3 TRP 43 HZ3 TRP 43 0.801 -2.536 -2.106 333 HH2 TRP 43 HH2 TRP 43 -0.958 -4.030 -1.223 334 H THR 44 HN THR 44 -1.365 1.981 -7.936 335 HA THR 44 HA THR 44 -0.020 3.562 -9.035 336 HB THR 44 HB THR 44 -0.807 5.768 -9.111 337 HG1 THR 44 HG1 THR 44 -1.986 6.678 -7.334 338 1HG2 THR 44 HG21 THR 44 -2.612 4.031 -9.599 339 2HG2 THR 44 HG22 THR 44 -3.183 5.661 -9.238 340 3HG2 THR 44 HG23 THR 44 -3.266 4.404 -8.004 341 H TYR 45 HN TYR 45 2.062 4.090 -8.611 342 HA TYR 45 HA TYR 45 2.897 4.305 -5.758 343 1HB TYR 45 HB2 TYR 45 3.904 2.603 -7.232 344 2HB TYR 45 HB1 TYR 45 4.412 3.859 -8.357 345 HD1 TYR 45 HD1 TYR 45 4.543 3.555 -4.611 346 HD2 TYR 45 HD2 TYR 45 6.717 4.142 -8.269 347 HE1 TYR 45 HE1 TYR 45 6.634 3.880 -3.317 348 HE2 TYR 45 HE2 TYR 45 8.805 4.468 -6.976 349 HH TYR 45 HH TYR 45 9.428 3.515 -4.220 350 H ASP 46 HN ASP 46 4.409 6.015 -5.138 351 HA ASP 46 HA ASP 46 4.531 8.358 -7.000 352 1HB ASP 46 HB2 ASP 46 4.032 9.791 -5.022 353 2HB ASP 46 HB1 ASP 46 2.715 8.675 -5.376 354 H ASP 47 HN ASP 47 6.574 9.187 -7.152 355 HA ASP 47 HA ASP 47 8.744 7.973 -5.587 356 1HB ASP 47 HB2 ASP 47 8.817 8.419 -8.037 357 2HB ASP 47 HB1 ASP 47 8.734 10.149 -7.700 358 H ALA 48 HN ALA 48 6.665 10.450 -4.815 359 HA ALA 48 HA ALA 48 8.352 12.608 -4.001 360 1HB ALA 48 HB1 ALA 48 5.695 12.101 -4.063 361 2HB ALA 48 HB2 ALA 48 6.386 13.400 -3.091 362 3HB ALA 48 HB3 ALA 48 5.993 11.852 -2.343 363 H THR 49 HN THR 49 7.243 9.712 -2.244 364 HA THR 49 HA THR 49 9.649 9.774 -0.540 365 HB THR 49 HB THR 49 8.095 11.330 0.554 366 HG1 THR 49 HG1 THR 49 8.136 8.819 1.866 367 1HG2 THR 49 HG21 THR 49 6.015 9.681 1.468 368 2HG2 THR 49 HG22 THR 49 6.148 9.339 -0.257 369 3HG2 THR 49 HG23 THR 49 5.887 10.993 0.297 370 H LYS 50 HN LYS 50 8.422 7.964 -2.530 371 HA LYS 50 HA LYS 50 7.992 5.668 -2.826 372 1HB LYS 50 HB2 LYS 50 9.279 5.579 -0.077 373 2HB LYS 50 HB1 LYS 50 9.150 4.228 -1.201 374 1HG LYS 50 HG2 LYS 50 10.573 5.334 -2.809 375 2HG LYS 50 HG1 LYS 50 10.573 6.820 -1.859 376 1HD LYS 50 HD2 LYS 50 12.093 6.017 -0.349 377 2HD LYS 50 HD1 LYS 50 11.457 4.374 -0.429 378 1HE LYS 50 HE2 LYS 50 12.776 3.806 -2.255 379 2HE LYS 50 HE1 LYS 50 12.856 5.478 -2.846 380 1HZ LYS 50 HZ1 LYS 50 14.937 4.713 -1.754 381 2HZ LYS 50 HZ2 LYS 50 14.074 4.555 -0.299 382 3HZ LYS 50 HZ3 LYS 50 14.251 6.081 -1.023 383 H THR 51 HN THR 51 5.725 7.038 -1.975 384 HA THR 51 HA THR 51 4.543 5.356 0.199 385 HB THR 51 HB THR 51 3.651 7.935 -1.143 386 HG1 THR 51 HG1 THR 51 4.693 7.405 1.439 387 1HG2 THR 51 HG21 THR 51 2.146 7.967 0.976 388 2HG2 THR 51 HG22 THR 51 2.443 6.229 1.028 389 3HG2 THR 51 HG23 THR 51 1.656 6.947 -0.377 390 H TRP 52 HN TRP 52 2.192 4.718 -0.238 391 HA TRP 52 HA TRP 52 1.695 4.138 -3.135 392 1HB TRP 52 HB2 TRP 52 1.761 2.316 -0.728 393 2HB TRP 52 HB1 TRP 52 0.915 1.871 -2.205 394 HD1 TRP 52 HD1 TRP 52 4.388 2.347 -0.768 395 HE1 TRP 52 HE1 TRP 52 6.119 1.425 -2.449 396 HE3 TRP 52 HE3 TRP 52 1.333 1.442 -4.712 397 HZ2 TRP 52 HZ2 TRP 52 6.176 0.420 -5.140 398 HZ3 TRP 52 HZ3 TRP 52 2.226 0.496 -6.831 399 HH2 TRP 52 HH2 TRP 52 4.645 -0.016 -7.045 400 H THR 53 HN THR 53 -0.635 2.870 -3.035 401 HA THR 53 HA THR 53 -2.509 4.044 -1.097 402 HB THR 53 HB THR 53 -3.087 4.623 -3.983 403 HG1 THR 53 HG1 THR 53 -1.477 6.274 -2.337 404 1HG2 THR 53 HG21 THR 53 -4.865 5.341 -2.731 405 2HG2 THR 53 HG22 THR 53 -3.862 6.785 -2.595 406 3HG2 THR 53 HG23 THR 53 -3.882 5.598 -1.291 407 H VAL 54 HN VAL 54 -4.881 3.411 -2.072 408 HA VAL 54 HA VAL 54 -5.092 1.083 -3.757 409 HB VAL 54 HB VAL 54 -3.857 0.001 -1.949 410 1HG1 VAL 54 HG11 VAL 54 -4.002 1.007 0.058 411 2HG1 VAL 54 HG12 VAL 54 -5.465 0.056 0.301 412 3HG1 VAL 54 HG13 VAL 54 -5.576 1.706 -0.307 413 1HG2 VAL 54 HG21 VAL 54 -5.220 -1.840 -1.692 414 2HG2 VAL 54 HG22 VAL 54 -6.145 -0.993 -2.938 415 3HG2 VAL 54 HG23 VAL 54 -6.626 -0.867 -1.246 416 H THR 55 HN THR 55 -6.825 2.622 -4.377 417 HA THR 55 HA THR 55 -9.067 3.003 -2.488 418 HB THR 55 HB THR 55 -8.828 3.755 -5.415 419 HG1 THR 55 HG1 THR 55 -8.036 5.262 -3.150 420 1HG2 THR 55 HG21 THR 55 -10.374 5.542 -4.787 421 2HG2 THR 55 HG22 THR 55 -10.330 5.017 -3.104 422 3HG2 THR 55 HG23 THR 55 -11.056 3.981 -4.333 423 H GLU 56 HN GLU 56 -11.009 1.884 -2.615 424 HA GLU 56 HA GLU 56 -11.122 -0.618 -4.078 425 1HB GLU 56 HB2 GLU 56 -12.239 0.314 -1.837 426 2HB GLU 56 HB1 GLU 56 -13.550 0.719 -2.945 427 1HG GLU 56 HG2 GLU 56 -12.371 -2.008 -3.185 428 2HG GLU 56 HG1 GLU 56 -13.373 -1.689 -1.769 Start of MODEL 32 1 1H THR 1 HT1 THR 1 14.294 3.979 4.882 2 2H THR 1 HT2 THR 1 15.842 3.517 4.355 3 3H THR 1 HT3 THR 1 14.967 2.515 5.412 4 HA THR 1 HA THR 1 14.160 3.156 2.618 5 HB THR 1 HB THR 1 15.298 0.617 3.826 6 HG1 THR 1 HG1 THR 1 16.605 2.540 2.208 7 1HG2 THR 1 HG21 THR 1 15.058 1.492 0.938 8 2HG2 THR 1 HG22 THR 1 13.871 0.472 1.750 9 3HG2 THR 1 HG23 THR 1 15.525 -0.100 1.535 10 H THR 2 HN THR 2 12.248 3.598 4.476 11 HA THR 2 HA THR 2 10.727 1.036 4.787 12 HB THR 2 HB THR 2 10.178 3.696 6.115 13 HG1 THR 2 HG1 THR 2 11.528 2.942 7.790 14 1HG2 THR 2 HG21 THR 2 8.553 1.720 6.186 15 2HG2 THR 2 HG22 THR 2 9.045 2.382 7.745 16 3HG2 THR 2 HG23 THR 2 9.771 0.888 7.152 17 H PHE 3 HN PHE 3 9.153 0.764 3.266 18 HA PHE 3 HA PHE 3 8.196 2.980 1.608 19 1HB PHE 3 HB2 PHE 3 7.379 0.063 1.863 20 2HB PHE 3 HB1 PHE 3 6.892 1.140 0.553 21 HD1 PHE 3 HD1 PHE 3 9.165 2.605 -0.258 22 HD2 PHE 3 HD2 PHE 3 9.025 -1.444 1.178 23 HE1 PHE 3 HE1 PHE 3 11.280 2.107 -1.452 24 HE2 PHE 3 HE2 PHE 3 11.141 -1.939 -0.017 25 HZ PHE 3 HZ PHE 3 12.268 -0.163 -1.331 26 H LYS 4 HN LYS 4 5.752 3.288 1.355 27 HA LYS 4 HA LYS 4 4.238 2.838 3.895 28 1HB LYS 4 HB2 LYS 4 5.537 5.121 3.580 29 2HB LYS 4 HB1 LYS 4 4.191 5.504 2.510 30 1HG LYS 4 HG2 LYS 4 2.664 4.776 4.446 31 2HG LYS 4 HG1 LYS 4 4.106 4.862 5.456 32 1HD LYS 4 HD2 LYS 4 3.527 7.045 5.711 33 2HD LYS 4 HD1 LYS 4 4.275 7.238 4.125 34 1HE LYS 4 HE2 LYS 4 1.917 6.608 3.191 35 2HE LYS 4 HE1 LYS 4 1.344 7.041 4.813 36 1HZ LYS 4 HZ1 LYS 4 3.136 8.758 3.183 37 2HZ LYS 4 HZ2 LYS 4 2.374 9.165 4.646 38 3HZ LYS 4 HZ3 LYS 4 1.452 8.951 3.235 39 H LEU 5 HN LEU 5 1.957 2.796 3.587 40 HA LEU 5 HA LEU 5 0.865 3.300 0.871 41 1HB LEU 5 HB2 LEU 5 1.747 0.833 1.360 42 2HB LEU 5 HB1 LEU 5 0.214 0.696 2.210 43 HG LEU 5 HG LEU 5 -0.128 1.976 -0.393 44 1HD1 LEU 5 HD11 LEU 5 1.872 0.305 -0.694 45 2HD1 LEU 5 HD12 LEU 5 0.541 0.284 -1.856 46 3HD1 LEU 5 HD13 LEU 5 0.616 -0.932 -0.573 47 1HD2 LEU 5 HD21 LEU 5 -1.264 -0.437 1.038 48 2HD2 LEU 5 HD22 LEU 5 -1.782 0.031 -0.582 49 3HD2 LEU 5 HD23 LEU 5 -2.031 1.130 0.775 50 H ILE 6 HN ILE 6 -1.207 4.108 1.030 51 HA ILE 6 HA ILE 6 -2.459 4.146 3.747 52 HB ILE 6 HB ILE 6 -2.709 5.904 1.288 53 1HG1 ILE 6 HG12 ILE 6 -0.578 6.098 2.538 54 2HG1 ILE 6 HG11 ILE 6 -1.544 7.565 2.680 55 1HG2 ILE 6 HG21 ILE 6 -4.790 6.255 2.220 56 2HG2 ILE 6 HG22 ILE 6 -3.852 7.389 3.193 57 3HG2 ILE 6 HG23 ILE 6 -4.259 5.799 3.839 58 1HD1 ILE 6 HD11 ILE 6 -0.642 5.743 4.763 59 2HD1 ILE 6 HD12 ILE 6 -2.391 5.960 4.815 60 3HD1 ILE 6 HD13 ILE 6 -1.325 7.361 4.917 61 H ILE 7 HN ILE 7 -4.467 3.226 4.025 62 HA ILE 7 HA ILE 7 -5.623 1.669 1.800 63 HB ILE 7 HB ILE 7 -6.386 2.000 4.723 64 1HG1 ILE 7 HG12 ILE 7 -4.925 -0.310 3.421 65 2HG1 ILE 7 HG11 ILE 7 -4.073 1.046 4.161 66 1HG2 ILE 7 HG21 ILE 7 -7.533 -0.218 4.317 67 2HG2 ILE 7 HG22 ILE 7 -7.250 0.025 2.593 68 3HG2 ILE 7 HG23 ILE 7 -8.275 1.149 3.485 69 1HD1 ILE 7 HD11 ILE 7 -4.205 -0.420 5.962 70 2HD1 ILE 7 HD12 ILE 7 -5.769 -1.060 5.458 71 3HD1 ILE 7 HD13 ILE 7 -5.668 0.535 6.203 72 H ASN 8 HN ASN 8 -7.156 2.570 0.497 73 HA ASN 8 HA ASN 8 -8.860 4.780 1.601 74 1HB ASN 8 HB2 ASN 8 -7.632 4.184 -1.089 75 2HB ASN 8 HB1 ASN 8 -9.030 5.252 -0.967 76 1HD2 ASN 8 HD21 ASN 8 -7.563 7.044 -1.682 77 2HD2 ASN 8 HD22 ASN 8 -6.515 7.769 -0.548 78 H GLY 9 HN GLY 9 -9.782 2.304 2.214 79 1HA GLY 9 HA2 GLY 9 -11.495 1.220 0.101 80 2HA GLY 9 HA1 GLY 9 -11.445 0.672 1.781 81 H LYS 10 HN LYS 10 -13.841 1.205 0.229 82 HA LYS 10 HA LYS 10 -15.072 3.692 0.673 83 1HB LYS 10 HB2 LYS 10 -16.169 0.868 0.649 84 2HB LYS 10 HB1 LYS 10 -17.180 2.310 0.550 85 1HG LYS 10 HG2 LYS 10 -16.051 3.007 -1.501 86 2HG LYS 10 HG1 LYS 10 -14.944 1.638 -1.386 87 1HD LYS 10 HD2 LYS 10 -16.546 0.106 -2.025 88 2HD LYS 10 HD1 LYS 10 -17.873 1.056 -1.355 89 1HE LYS 10 HE2 LYS 10 -17.475 2.746 -3.213 90 2HE LYS 10 HE1 LYS 10 -16.376 1.559 -3.945 91 1HZ LYS 10 HZ1 LYS 10 -18.097 -0.043 -4.044 92 2HZ LYS 10 HZ2 LYS 10 -18.753 1.388 -4.682 93 3HZ LYS 10 HZ3 LYS 10 -19.143 0.902 -3.102 94 H THR 11 HN THR 11 -14.523 1.033 2.910 95 HA THR 11 HA THR 11 -15.790 2.660 5.091 96 HB THR 11 HB THR 11 -15.682 -0.359 4.969 97 HG1 THR 11 HG1 THR 11 -16.857 0.091 3.212 98 1HG2 THR 11 HG21 THR 11 -17.202 -0.296 6.719 99 2HG2 THR 11 HG22 THR 11 -17.824 1.289 6.259 100 3HG2 THR 11 HG23 THR 11 -16.259 1.154 7.061 101 H LEU 12 HN LEU 12 -13.357 0.178 4.280 102 HA LEU 12 HA LEU 12 -12.013 0.401 6.878 103 1HB LEU 12 HB2 LEU 12 -11.331 -0.950 4.246 104 2HB LEU 12 HB1 LEU 12 -10.427 -1.177 5.744 105 HG LEU 12 HG LEU 12 -13.394 -1.593 5.781 106 1HD1 LEU 12 HD11 LEU 12 -13.291 -3.743 4.859 107 2HD1 LEU 12 HD12 LEU 12 -11.543 -3.853 5.065 108 3HD1 LEU 12 HD13 LEU 12 -12.219 -2.833 3.795 109 1HD2 LEU 12 HD21 LEU 12 -12.935 -2.785 7.705 110 2HD2 LEU 12 HD22 LEU 12 -11.540 -1.705 7.715 111 3HD2 LEU 12 HD23 LEU 12 -11.376 -3.352 7.106 112 H LYS 13 HN LYS 13 -9.764 1.140 7.077 113 HA LYS 13 HA LYS 13 -8.475 2.642 4.937 114 1HB LYS 13 HB2 LYS 13 -10.551 3.907 6.269 115 2HB LYS 13 HB1 LYS 13 -9.133 4.474 7.150 116 1HG LYS 13 HG2 LYS 13 -8.107 5.273 5.103 117 2HG LYS 13 HG1 LYS 13 -9.395 4.559 4.131 118 1HD LYS 13 HD2 LYS 13 -10.892 6.073 5.786 119 2HD LYS 13 HD1 LYS 13 -9.416 7.038 5.774 120 1HE LYS 13 HE2 LYS 13 -10.820 6.076 3.257 121 2HE LYS 13 HE1 LYS 13 -11.013 7.699 3.951 122 1HZ LYS 13 HZ1 LYS 13 -8.484 6.429 3.049 123 2HZ LYS 13 HZ2 LYS 13 -8.553 7.886 3.920 124 3HZ LYS 13 HZ3 LYS 13 -9.241 7.786 2.370 125 H GLY 14 HN GLY 14 -6.661 4.113 6.136 126 1HA GLY 14 HA2 GLY 14 -5.402 4.115 8.374 127 2HA GLY 14 HA1 GLY 14 -5.456 2.358 8.234 128 H GLU 15 HN GLU 15 -3.001 3.635 8.428 129 HA GLU 15 HA GLU 15 -1.915 3.578 5.634 130 1HB GLU 15 HB2 GLU 15 -0.071 4.922 6.644 131 2HB GLU 15 HB1 GLU 15 -1.643 5.688 6.860 132 1HG GLU 15 HG2 GLU 15 -1.737 5.150 9.142 133 2HG GLU 15 HG1 GLU 15 -0.555 3.850 8.984 134 H THR 16 HN THR 16 0.376 2.670 5.523 135 HA THR 16 HA THR 16 1.193 0.797 7.637 136 HB THR 16 HB THR 16 -0.637 -0.413 6.531 137 HG1 THR 16 HG1 THR 16 1.904 -1.383 5.732 138 1HG2 THR 16 HG21 THR 16 -0.732 0.599 4.373 139 2HG2 THR 16 HG22 THR 16 -0.260 -1.077 4.094 140 3HG2 THR 16 HG23 THR 16 0.953 0.203 4.030 141 H THR 17 HN THR 17 3.300 -0.120 7.206 142 HA THR 17 HA THR 17 4.721 0.925 4.788 143 HB THR 17 HB THR 17 6.563 1.618 6.296 144 HG1 THR 17 HG1 THR 17 6.498 0.599 8.131 145 1HG2 THR 17 HG21 THR 17 4.164 2.927 5.889 146 2HG2 THR 17 HG22 THR 17 5.604 3.645 6.609 147 3HG2 THR 17 HG23 THR 17 4.340 2.981 7.643 148 H THR 18 HN THR 18 6.713 -0.299 4.328 149 HA THR 18 HA THR 18 7.071 -2.830 5.826 150 HB THR 18 HB THR 18 5.674 -2.478 3.291 151 HG1 THR 18 HG1 THR 18 5.056 -3.822 5.009 152 1HG2 THR 18 HG21 THR 18 8.011 -4.413 3.184 153 2HG2 THR 18 HG22 THR 18 7.914 -2.894 2.291 154 3HG2 THR 18 HG23 THR 18 6.765 -4.192 1.953 155 H GLU 19 HN GLU 19 9.140 -3.902 5.165 156 HA GLU 19 HA GLU 19 11.138 -1.932 4.095 157 1HB GLU 19 HB2 GLU 19 11.168 -2.543 6.574 158 2HB GLU 19 HB1 GLU 19 11.595 -4.180 6.076 159 1HG GLU 19 HG2 GLU 19 13.411 -2.788 4.635 160 2HG GLU 19 HG1 GLU 19 13.224 -1.695 6.007 161 H ALA 20 HN ALA 20 11.804 -2.625 2.092 162 HA ALA 20 HA ALA 20 12.520 -5.484 1.717 163 1HB ALA 20 HB1 ALA 20 10.386 -5.737 0.902 164 2HB ALA 20 HB2 ALA 20 11.111 -5.061 -0.557 165 3HB ALA 20 HB3 ALA 20 10.212 -4.018 0.547 166 H VAL 21 HN VAL 21 13.327 -5.689 -0.713 167 HA VAL 21 HA VAL 21 15.630 -4.057 -1.065 168 HB VAL 21 HB VAL 21 15.270 -6.308 -2.021 169 1HG1 VAL 21 HG11 VAL 21 12.813 -5.743 -2.627 170 2HG1 VAL 21 HG12 VAL 21 13.720 -6.773 -3.735 171 3HG1 VAL 21 HG13 VAL 21 13.491 -5.065 -4.107 172 1HG2 VAL 21 HG21 VAL 21 16.199 -5.877 -4.260 173 2HG2 VAL 21 HG22 VAL 21 16.942 -4.818 -3.061 174 3HG2 VAL 21 HG23 VAL 21 15.698 -4.190 -4.143 175 H ASP 22 HN ASP 22 12.378 -3.809 -2.454 176 HA ASP 22 HA ASP 22 12.910 -0.988 -3.199 177 1HB ASP 22 HB2 ASP 22 13.684 -2.449 -5.052 178 2HB ASP 22 HB1 ASP 22 12.084 -3.186 -5.122 179 H ALA 23 HN ALA 23 10.871 0.130 -3.745 180 HA ALA 23 HA ALA 23 8.662 -0.550 -2.074 181 1HB ALA 23 HB1 ALA 23 9.242 1.329 -4.328 182 2HB ALA 23 HB2 ALA 23 8.735 1.687 -2.678 183 3HB ALA 23 HB3 ALA 23 7.555 1.118 -3.858 184 H ALA 24 HN ALA 24 9.362 -1.341 -5.449 185 HA ALA 24 HA ALA 24 6.794 -2.259 -6.277 186 1HB ALA 24 HB1 ALA 24 8.300 -3.739 -7.790 187 2HB ALA 24 HB2 ALA 24 9.652 -2.956 -6.971 188 3HB ALA 24 HB3 ALA 24 8.505 -1.991 -7.901 189 H THR 25 HN THR 25 9.476 -4.007 -4.697 190 HA THR 25 HA THR 25 8.188 -6.573 -4.584 191 HB THR 25 HB THR 25 10.391 -5.210 -2.999 192 HG1 THR 25 HG1 THR 25 10.778 -5.699 -5.189 193 1HG2 THR 25 HG21 THR 25 9.344 -6.993 -1.611 194 2HG2 THR 25 HG22 THR 25 10.990 -7.411 -2.100 195 3HG2 THR 25 HG23 THR 25 9.613 -8.143 -2.924 196 H ALA 26 HN ALA 26 8.418 -3.899 -2.219 197 HA ALA 26 HA ALA 26 7.008 -5.155 -0.099 198 1HB ALA 26 HB1 ALA 26 6.578 -2.735 0.582 199 2HB ALA 26 HB2 ALA 26 7.307 -2.262 -0.958 200 3HB ALA 26 HB3 ALA 26 8.267 -3.127 0.241 201 H GLU 27 HN GLU 27 5.690 -2.709 -2.387 202 HA GLU 27 HA GLU 27 3.032 -2.748 -1.674 203 1HB GLU 27 HB2 GLU 27 2.579 -2.036 -3.982 204 2HB GLU 27 HB1 GLU 27 4.073 -1.314 -3.392 205 1HG GLU 27 HG2 GLU 27 5.349 -2.417 -4.914 206 2HG GLU 27 HG1 GLU 27 4.450 -3.915 -4.726 207 H LYS 28 HN LYS 28 4.687 -5.372 -3.352 208 HA LYS 28 HA LYS 28 2.299 -6.746 -4.275 209 1HB LYS 28 HB2 LYS 28 5.088 -7.730 -3.547 210 2HB LYS 28 HB1 LYS 28 3.901 -8.650 -4.472 211 1HG LYS 28 HG2 LYS 28 4.061 -7.241 -6.332 212 2HG LYS 28 HG1 LYS 28 4.695 -5.898 -5.382 213 1HD LYS 28 HD2 LYS 28 6.690 -6.574 -6.278 214 2HD LYS 28 HD1 LYS 28 6.643 -7.729 -4.946 215 1HE LYS 28 HE2 LYS 28 5.891 -9.491 -6.341 216 2HE LYS 28 HE1 LYS 28 5.383 -8.371 -7.621 217 1HZ LYS 28 HZ1 LYS 28 8.181 -8.722 -6.682 218 2HZ LYS 28 HZ2 LYS 28 7.664 -7.715 -7.949 219 3HZ LYS 28 HZ3 LYS 28 7.549 -9.403 -8.100 220 H VAL 29 HN VAL 29 4.348 -6.915 -1.380 221 HA VAL 29 HA VAL 29 2.803 -8.980 -0.028 222 HB VAL 29 HB VAL 29 4.905 -6.914 0.691 223 1HG1 VAL 29 HG11 VAL 29 3.646 -8.875 2.639 224 2HG1 VAL 29 HG12 VAL 29 3.436 -7.122 2.681 225 3HG1 VAL 29 HG13 VAL 29 5.028 -7.828 2.969 226 1HG2 VAL 29 HG21 VAL 29 5.246 -9.216 -0.528 227 2HG2 VAL 29 HG22 VAL 29 5.082 -9.883 1.097 228 3HG2 VAL 29 HG23 VAL 29 6.367 -8.728 0.744 229 H LEU 30 HN LEU 30 2.876 -5.404 0.058 230 HA LEU 30 HA LEU 30 0.961 -5.000 2.125 231 1HB LEU 30 HB2 LEU 30 1.822 -3.459 -0.329 232 2HB LEU 30 HB1 LEU 30 0.623 -2.804 0.771 233 HG LEU 30 HG LEU 30 3.153 -2.170 1.081 234 1HD1 LEU 30 HD11 LEU 30 1.340 -3.020 3.338 235 2HD1 LEU 30 HD12 LEU 30 1.514 -1.407 2.641 236 3HD1 LEU 30 HD13 LEU 30 2.840 -2.115 3.575 237 1HD2 LEU 30 HD21 LEU 30 4.239 -3.658 2.795 238 2HD2 LEU 30 HD22 LEU 30 4.189 -4.314 1.172 239 3HD2 LEU 30 HD23 LEU 30 3.063 -4.892 2.397 240 H LYS 31 HN LYS 31 0.634 -5.794 -1.289 241 HA LYS 31 HA LYS 31 -2.182 -5.321 -1.646 242 1HB LYS 31 HB2 LYS 31 -0.179 -6.063 -3.254 243 2HB LYS 31 HB1 LYS 31 -0.711 -7.669 -2.822 244 1HG LYS 31 HG2 LYS 31 -2.661 -5.585 -3.807 245 2HG LYS 31 HG1 LYS 31 -1.767 -6.611 -4.928 246 1HD LYS 31 HD2 LYS 31 -3.618 -7.566 -2.719 247 2HD LYS 31 HD1 LYS 31 -3.953 -7.613 -4.447 248 1HE LYS 31 HE2 LYS 31 -1.459 -8.896 -4.157 249 2HE LYS 31 HE1 LYS 31 -2.470 -9.524 -2.835 250 1HZ LYS 31 HZ1 LYS 31 -2.753 -10.678 -5.044 251 2HZ LYS 31 HZ2 LYS 31 -3.453 -9.243 -5.624 252 3HZ LYS 31 HZ3 LYS 31 -4.182 -10.090 -4.345 253 H GLN 32 HN GLN 32 -0.267 -8.070 -0.518 254 HA GLN 32 HA GLN 32 -2.286 -10.007 -0.106 255 1HB GLN 32 HB2 GLN 32 0.393 -9.783 0.270 256 2HB GLN 32 HB1 GLN 32 -0.172 -9.766 1.938 257 1HG GLN 32 HG2 GLN 32 -0.056 -12.044 1.673 258 2HG GLN 32 HG1 GLN 32 -1.670 -11.798 1.004 259 1HE2 GLN 32 HE21 GLN 32 1.522 -12.899 0.271 260 2HE2 GLN 32 HE22 GLN 32 1.299 -13.107 -1.407 261 H TYR 33 HN TYR 33 -1.134 -7.385 2.010 262 HA TYR 33 HA TYR 33 -2.852 -7.921 4.273 263 1HB TYR 33 HB2 TYR 33 -0.862 -6.487 4.370 264 2HB TYR 33 HB1 TYR 33 -1.564 -5.386 3.185 265 HD1 TYR 33 HD1 TYR 33 -1.977 -6.784 6.588 266 HD2 TYR 33 HD2 TYR 33 -3.108 -3.693 3.835 267 HE1 TYR 33 HE1 TYR 33 -3.125 -5.587 8.415 268 HE2 TYR 33 HE2 TYR 33 -4.255 -2.484 5.668 269 HH TYR 33 HH TYR 33 -5.334 -3.205 7.956 270 H ILE 34 HN ILE 34 -3.139 -5.883 1.380 271 HA ILE 34 HA ILE 34 -5.740 -4.771 1.933 272 HB ILE 34 HB ILE 34 -4.264 -5.377 -0.651 273 1HG1 ILE 34 HG12 ILE 34 -3.145 -3.914 1.156 274 2HG1 ILE 34 HG11 ILE 34 -3.250 -3.243 -0.466 275 1HG2 ILE 34 HG21 ILE 34 -5.668 -3.576 -1.630 276 2HG2 ILE 34 HG22 ILE 34 -6.577 -3.492 -0.120 277 3HG2 ILE 34 HG23 ILE 34 -6.626 -4.959 -1.098 278 1HD1 ILE 34 HD11 ILE 34 -3.919 -1.760 1.583 279 2HD1 ILE 34 HD12 ILE 34 -5.420 -2.686 1.542 280 3HD1 ILE 34 HD13 ILE 34 -4.933 -1.734 0.140 281 H ASN 35 HN ASN 35 -4.603 -7.809 0.577 282 HA ASN 35 HA ASN 35 -6.936 -8.759 -0.724 283 1HB ASN 35 HB2 ASN 35 -4.505 -9.652 -0.553 284 2HB ASN 35 HB1 ASN 35 -5.066 -10.476 0.900 285 1HD2 ASN 35 HD21 ASN 35 -6.394 -9.939 -2.424 286 2HD2 ASN 35 HD22 ASN 35 -6.857 -11.556 -2.652 287 H ASP 36 HN ASP 36 -6.122 -8.571 2.693 288 HA ASP 36 HA ASP 36 -8.312 -10.325 3.561 289 1HB ASP 36 HB2 ASP 36 -6.122 -10.085 4.729 290 2HB ASP 36 HB1 ASP 36 -6.515 -8.400 5.073 291 H ASN 37 HN ASN 37 -7.585 -6.824 3.824 292 HA ASN 37 HA ASN 37 -10.060 -6.038 5.016 293 1HB ASN 37 HB2 ASN 37 -8.165 -4.559 3.156 294 2HB ASN 37 HB1 ASN 37 -9.380 -3.792 4.185 295 1HD2 ASN 37 HD21 ASN 37 -8.903 -3.552 6.429 296 2HD2 ASN 37 HD22 ASN 37 -7.422 -4.038 7.122 297 H GLY 38 HN GLY 38 -9.165 -6.689 1.674 298 1HA GLY 38 HA2 GLY 38 -10.627 -7.136 -0.139 299 2HA GLY 38 HA1 GLY 38 -11.991 -6.689 0.887 300 H ILE 39 HN ILE 39 -9.169 -4.633 0.459 301 HA ILE 39 HA ILE 39 -10.912 -2.674 -1.003 302 HB ILE 39 HB ILE 39 -8.575 -2.249 0.893 303 1HG1 ILE 39 HG12 ILE 39 -10.588 -3.083 2.046 304 2HG1 ILE 39 HG11 ILE 39 -10.307 -1.386 2.445 305 1HG2 ILE 39 HG21 ILE 39 -10.404 -0.329 -0.566 306 2HG2 ILE 39 HG22 ILE 39 -8.645 -0.416 -0.650 307 3HG2 ILE 39 HG23 ILE 39 -9.430 0.146 0.826 308 1HD1 ILE 39 HD11 ILE 39 -12.475 -1.073 1.856 309 2HD1 ILE 39 HD12 ILE 39 -12.561 -2.622 1.019 310 3HD1 ILE 39 HD13 ILE 39 -11.902 -1.210 0.194 311 H ASP 40 HN ASP 40 -10.037 -3.987 -2.941 312 HA ASP 40 HA ASP 40 -7.315 -2.994 -3.729 313 1HB ASP 40 HB2 ASP 40 -8.750 -5.588 -3.918 314 2HB ASP 40 HB1 ASP 40 -7.807 -5.132 -5.342 315 H GLY 41 HN GLY 41 -7.947 -1.124 -4.872 316 1HA GLY 41 HA2 GLY 41 -9.716 -1.605 -7.238 317 2HA GLY 41 HA1 GLY 41 -9.837 -0.123 -6.284 318 H GLU 42 HN GLU 42 -8.014 1.365 -6.329 319 HA GLU 42 HA GLU 42 -6.134 0.933 -8.626 320 1HB GLU 42 HB2 GLU 42 -8.280 2.861 -8.242 321 2HB GLU 42 HB1 GLU 42 -6.736 3.689 -8.439 322 1HG GLU 42 HG2 GLU 42 -6.410 2.876 -10.584 323 2HG GLU 42 HG1 GLU 42 -7.390 1.436 -10.301 324 H TRP 43 HN TRP 43 -4.070 1.059 -7.874 325 HA TRP 43 HA TRP 43 -3.502 2.539 -5.348 326 1HB TRP 43 HB2 TRP 43 -1.961 0.566 -7.065 327 2HB TRP 43 HB1 TRP 43 -1.280 1.343 -5.648 328 HD1 TRP 43 HD1 TRP 43 -4.930 0.131 -5.634 329 HE1 TRP 43 HE1 TRP 43 -5.115 -1.840 -4.003 330 HE3 TRP 43 HE3 TRP 43 -0.013 -0.515 -4.498 331 HZ2 TRP 43 HZ2 TRP 43 -3.413 -3.450 -2.382 332 HZ3 TRP 43 HZ3 TRP 43 0.680 -2.269 -2.880 333 HH2 TRP 43 HH2 TRP 43 -1.009 -3.729 -1.826 334 H THR 44 HN THR 44 -1.361 3.778 -5.386 335 HA THR 44 HA THR 44 -0.584 4.866 -8.035 336 HB THR 44 HB THR 44 -0.953 7.172 -7.273 337 HG1 THR 44 HG1 THR 44 -0.980 7.394 -5.199 338 1HG2 THR 44 HG21 THR 44 -3.499 5.658 -6.700 339 2HG2 THR 44 HG22 THR 44 -2.822 5.744 -8.326 340 3HG2 THR 44 HG23 THR 44 -3.309 7.221 -7.494 341 H TYR 45 HN TYR 45 1.606 5.156 -8.057 342 HA TYR 45 HA TYR 45 3.078 4.856 -5.484 343 1HB TYR 45 HB2 TYR 45 3.516 3.324 -7.380 344 2HB TYR 45 HB1 TYR 45 3.945 4.701 -8.393 345 HD1 TYR 45 HD1 TYR 45 4.775 3.782 -4.844 346 HD2 TYR 45 HD2 TYR 45 6.241 4.725 -8.769 347 HE1 TYR 45 HE1 TYR 45 7.103 3.683 -3.998 348 HE2 TYR 45 HE2 TYR 45 8.568 4.630 -7.923 349 HH TYR 45 HH TYR 45 9.813 3.623 -6.079 350 H ASP 46 HN ASP 46 4.863 6.324 -5.018 351 HA ASP 46 HA ASP 46 5.127 8.784 -6.642 352 1HB ASP 46 HB2 ASP 46 4.587 10.202 -4.660 353 2HB ASP 46 HB1 ASP 46 3.213 9.227 -5.175 354 H ASP 47 HN ASP 47 7.254 9.355 -6.640 355 HA ASP 47 HA ASP 47 9.143 7.983 -4.850 356 1HB ASP 47 HB2 ASP 47 9.378 8.421 -7.352 357 2HB ASP 47 HB1 ASP 47 9.657 10.114 -6.939 358 H ALA 48 HN ALA 48 7.527 11.064 -4.943 359 HA ALA 48 HA ALA 48 9.384 12.795 -3.694 360 1HB ALA 48 HB1 ALA 48 6.435 12.514 -3.941 361 2HB ALA 48 HB2 ALA 48 7.468 13.890 -4.329 362 3HB ALA 48 HB3 ALA 48 7.002 13.581 -2.656 363 H THR 49 HN THR 49 7.463 10.181 -2.327 364 HA THR 49 HA THR 49 8.983 10.372 0.201 365 HB THR 49 HB THR 49 7.101 11.921 0.491 366 HG1 THR 49 HG1 THR 49 6.375 11.042 2.360 367 1HG2 THR 49 HG21 THR 49 4.762 10.737 0.533 368 2HG2 THR 49 HG22 THR 49 5.534 9.577 -0.546 369 3HG2 THR 49 HG23 THR 49 5.431 11.275 -1.007 370 H LYS 50 HN LYS 50 8.652 8.435 -2.028 371 HA LYS 50 HA LYS 50 8.082 6.180 -2.468 372 1HB LYS 50 HB2 LYS 50 9.317 4.770 -0.936 373 2HB LYS 50 HB1 LYS 50 10.186 6.287 -1.130 374 1HG LYS 50 HG2 LYS 50 8.240 6.173 1.122 375 2HG LYS 50 HG1 LYS 50 9.679 5.178 1.280 376 1HD LYS 50 HD2 LYS 50 10.141 7.939 0.304 377 2HD LYS 50 HD1 LYS 50 9.607 7.798 1.979 378 1HE LYS 50 HE2 LYS 50 11.504 5.808 1.845 379 2HE LYS 50 HE1 LYS 50 12.193 7.046 0.775 380 1HZ LYS 50 HZ1 LYS 50 11.869 8.700 2.461 381 2HZ LYS 50 HZ2 LYS 50 12.737 7.410 3.147 382 3HZ LYS 50 HZ3 LYS 50 11.080 7.593 3.475 383 H THR 51 HN THR 51 5.749 7.535 -1.435 384 HA THR 51 HA THR 51 4.530 5.606 0.472 385 HB THR 51 HB THR 51 3.491 8.171 -0.780 386 HG1 THR 51 HG1 THR 51 4.751 7.665 1.710 387 1HG2 THR 51 HG21 THR 51 2.480 6.281 1.311 388 2HG2 THR 51 HG22 THR 51 1.588 7.150 0.063 389 3HG2 THR 51 HG23 THR 51 2.152 8.003 1.500 390 H TRP 52 HN TRP 52 2.231 4.907 -0.094 391 HA TRP 52 HA TRP 52 1.884 4.446 -3.036 392 1HB TRP 52 HB2 TRP 52 1.876 2.563 -0.685 393 2HB TRP 52 HB1 TRP 52 0.993 2.170 -2.156 394 HD1 TRP 52 HD1 TRP 52 4.474 2.381 -0.733 395 HE1 TRP 52 HE1 TRP 52 6.160 1.516 -2.486 396 HE3 TRP 52 HE3 TRP 52 1.395 1.990 -4.749 397 HZ2 TRP 52 HZ2 TRP 52 6.179 0.749 -5.253 398 HZ3 TRP 52 HZ3 TRP 52 2.251 1.188 -6.939 399 HH2 TRP 52 HH2 TRP 52 4.640 0.566 -7.193 400 H THR 53 HN THR 53 -0.482 3.187 -3.092 401 HA THR 53 HA THR 53 -2.422 4.372 -1.228 402 HB THR 53 HB THR 53 -2.537 5.069 -4.173 403 HG1 THR 53 HG1 THR 53 -1.519 6.557 -1.984 404 1HG2 THR 53 HG21 THR 53 -4.044 5.885 -1.700 405 2HG2 THR 53 HG22 THR 53 -4.679 5.327 -3.247 406 3HG2 THR 53 HG23 THR 53 -3.989 6.944 -3.109 407 H VAL 54 HN VAL 54 -4.716 3.718 -1.952 408 HA VAL 54 HA VAL 54 -5.047 1.549 -3.853 409 HB VAL 54 HB VAL 54 -3.803 0.296 -2.204 410 1HG1 VAL 54 HG11 VAL 54 -3.744 1.419 -0.217 411 2HG1 VAL 54 HG12 VAL 54 -5.008 0.261 0.191 412 3HG1 VAL 54 HG13 VAL 54 -5.437 1.896 -0.310 413 1HG2 VAL 54 HG21 VAL 54 -5.247 -1.471 -1.871 414 2HG2 VAL 54 HG22 VAL 54 -6.224 -0.534 -3.009 415 3HG2 VAL 54 HG23 VAL 54 -6.547 -0.433 -1.279 416 H THR 55 HN THR 55 -6.779 3.065 -4.388 417 HA THR 55 HA THR 55 -8.960 3.436 -2.415 418 HB THR 55 HB THR 55 -8.836 4.317 -5.308 419 HG1 THR 55 HG1 THR 55 -7.656 5.494 -3.014 420 1HG2 THR 55 HG21 THR 55 -10.955 4.629 -4.055 421 2HG2 THR 55 HG22 THR 55 -10.207 6.170 -4.475 422 3HG2 THR 55 HG23 THR 55 -10.079 5.547 -2.831 423 H GLU 56 HN GLU 56 -10.646 2.008 -2.345 424 HA GLU 56 HA GLU 56 -10.928 -0.254 -4.066 425 1HB GLU 56 HB2 GLU 56 -11.880 0.417 -1.683 426 2HB GLU 56 HB1 GLU 56 -13.261 0.972 -2.629 427 1HG GLU 56 HG2 GLU 56 -12.913 -1.429 -3.784 428 2HG GLU 56 HG1 GLU 56 -12.256 -1.797 -2.188 Start of MODEL 33 1 1H THR 1 HT1 THR 1 15.691 4.522 4.178 2 2H THR 1 HT2 THR 1 15.177 3.477 5.415 3 3H THR 1 HT3 THR 1 14.133 4.682 4.829 4 HA THR 1 HA THR 1 14.155 3.567 2.621 5 HB THR 1 HB THR 1 15.141 1.255 2.678 6 HG1 THR 1 HG1 THR 1 15.045 1.012 4.948 7 1HG2 THR 1 HG21 THR 1 16.378 3.450 2.014 8 2HG2 THR 1 HG22 THR 1 17.332 1.990 2.272 9 3HG2 THR 1 HG23 THR 1 17.251 3.224 3.530 10 H THR 2 HN THR 2 12.027 4.043 3.883 11 HA THR 2 HA THR 2 10.817 1.432 4.729 12 HB THR 2 HB THR 2 10.251 4.164 5.917 13 HG1 THR 2 HG1 THR 2 12.316 3.672 6.481 14 1HG2 THR 2 HG21 THR 2 8.442 2.571 6.215 15 2HG2 THR 2 HG22 THR 2 9.285 2.760 7.752 16 3HG2 THR 2 HG23 THR 2 9.574 1.333 6.757 17 H PHE 3 HN PHE 3 9.229 0.958 3.272 18 HA PHE 3 HA PHE 3 8.039 3.005 1.546 19 1HB PHE 3 HB2 PHE 3 7.470 0.048 1.968 20 2HB PHE 3 HB1 PHE 3 6.861 1.016 0.625 21 HD1 PHE 3 HD1 PHE 3 8.983 2.604 -0.336 22 HD2 PHE 3 HD2 PHE 3 9.210 -1.362 1.305 23 HE1 PHE 3 HE1 PHE 3 11.094 2.211 -1.575 24 HE2 PHE 3 HE2 PHE 3 11.320 -1.753 0.064 25 HZ PHE 3 HZ PHE 3 12.262 0.033 -1.374 26 H LYS 4 HN LYS 4 5.693 3.409 1.468 27 HA LYS 4 HA LYS 4 4.192 2.721 3.964 28 1HB LYS 4 HB2 LYS 4 5.367 4.979 4.059 29 2HB LYS 4 HB1 LYS 4 4.328 5.487 2.737 30 1HG LYS 4 HG2 LYS 4 2.333 4.963 4.097 31 2HG LYS 4 HG1 LYS 4 3.379 4.494 5.435 32 1HD LYS 4 HD2 LYS 4 3.879 6.648 5.976 33 2HD LYS 4 HD1 LYS 4 3.949 7.159 4.291 34 1HE LYS 4 HE2 LYS 4 1.907 8.111 4.561 35 2HE LYS 4 HE1 LYS 4 1.228 6.489 4.802 36 1HZ LYS 4 HZ1 LYS 4 2.440 8.240 6.876 37 2HZ LYS 4 HZ2 LYS 4 1.995 6.621 7.136 38 3HZ LYS 4 HZ3 LYS 4 0.811 7.781 6.762 39 H LEU 5 HN LEU 5 1.927 2.636 3.664 40 HA LEU 5 HA LEU 5 0.810 3.301 0.990 41 1HB LEU 5 HB2 LEU 5 1.725 0.816 1.378 42 2HB LEU 5 HB1 LEU 5 0.177 0.628 2.189 43 HG LEU 5 HG LEU 5 -0.142 2.032 -0.347 44 1HD1 LEU 5 HD11 LEU 5 1.909 0.447 -0.718 45 2HD1 LEU 5 HD12 LEU 5 0.589 0.434 -1.894 46 3HD1 LEU 5 HD13 LEU 5 0.698 -0.841 -0.670 47 1HD2 LEU 5 HD21 LEU 5 -1.223 -0.528 0.862 48 2HD2 LEU 5 HD22 LEU 5 -1.769 0.121 -0.684 49 3HD2 LEU 5 HD23 LEU 5 -2.018 1.045 0.798 50 H ILE 6 HN ILE 6 -1.296 4.028 1.185 51 HA ILE 6 HA ILE 6 -2.509 3.951 3.918 52 HB ILE 6 HB ILE 6 -2.832 5.783 1.524 53 1HG1 ILE 6 HG12 ILE 6 -0.687 5.975 2.751 54 2HG1 ILE 6 HG11 ILE 6 -1.677 7.420 2.950 55 1HG2 ILE 6 HG21 ILE 6 -4.915 6.011 2.517 56 2HG2 ILE 6 HG22 ILE 6 -3.994 7.192 3.447 57 3HG2 ILE 6 HG23 ILE 6 -4.312 5.594 4.121 58 1HD1 ILE 6 HD11 ILE 6 -2.459 5.722 5.045 59 2HD1 ILE 6 HD12 ILE 6 -1.438 7.153 5.178 60 3HD1 ILE 6 HD13 ILE 6 -0.705 5.564 4.966 61 H ILE 7 HN ILE 7 -4.486 2.958 4.185 62 HA ILE 7 HA ILE 7 -5.630 1.464 1.914 63 HB ILE 7 HB ILE 7 -6.348 1.645 4.860 64 1HG1 ILE 7 HG12 ILE 7 -4.776 -0.474 3.357 65 2HG1 ILE 7 HG11 ILE 7 -4.041 0.792 4.341 66 1HG2 ILE 7 HG21 ILE 7 -7.514 -0.513 4.432 67 2HG2 ILE 7 HG22 ILE 7 -7.159 -0.342 2.713 68 3HG2 ILE 7 HG23 ILE 7 -8.223 0.815 3.513 69 1HD1 ILE 7 HD11 ILE 7 -5.782 -0.131 6.149 70 2HD1 ILE 7 HD12 ILE 7 -4.190 -0.861 5.941 71 3HD1 ILE 7 HD13 ILE 7 -5.605 -1.603 5.193 72 H ASN 8 HN ASN 8 -7.117 2.472 0.635 73 HA ASN 8 HA ASN 8 -8.914 4.534 1.863 74 1HB ASN 8 HB2 ASN 8 -7.723 4.082 -0.874 75 2HB ASN 8 HB1 ASN 8 -9.143 5.108 -0.676 76 1HD2 ASN 8 HD21 ASN 8 -7.663 6.922 -1.393 77 2HD2 ASN 8 HD22 ASN 8 -6.638 7.645 -0.237 78 H GLY 9 HN GLY 9 -9.683 1.961 2.358 79 1HA GLY 9 HA2 GLY 9 -11.425 0.930 0.246 80 2HA GLY 9 HA1 GLY 9 -11.290 0.287 1.888 81 H LYS 10 HN LYS 10 -13.755 0.830 0.420 82 HA LYS 10 HA LYS 10 -15.068 3.224 1.091 83 1HB LYS 10 HB2 LYS 10 -16.084 0.374 0.887 84 2HB LYS 10 HB1 LYS 10 -17.121 1.801 0.866 85 1HG LYS 10 HG2 LYS 10 -15.785 2.640 -1.106 86 2HG LYS 10 HG1 LYS 10 -14.974 1.074 -1.144 87 1HD LYS 10 HD2 LYS 10 -16.686 0.566 -2.581 88 2HD LYS 10 HD1 LYS 10 -17.537 0.235 -1.072 89 1HE LYS 10 HE2 LYS 10 -18.039 2.868 -1.219 90 2HE LYS 10 HE1 LYS 10 -17.854 2.534 -2.952 91 1HZ LYS 10 HZ1 LYS 10 -19.540 0.937 -1.097 92 2HZ LYS 10 HZ2 LYS 10 -19.410 0.731 -2.779 93 3HZ LYS 10 HZ3 LYS 10 -20.138 2.129 -2.145 94 H THR 11 HN THR 11 -14.385 0.400 3.082 95 HA THR 11 HA THR 11 -15.676 1.784 5.414 96 HB THR 11 HB THR 11 -15.387 -1.203 5.018 97 HG1 THR 11 HG1 THR 11 -17.177 -1.203 3.883 98 1HG2 THR 11 HG21 THR 11 -17.240 0.500 6.708 99 2HG2 THR 11 HG22 THR 11 -15.846 -0.402 7.302 100 3HG2 THR 11 HG23 THR 11 -17.239 -1.262 6.647 101 H LEU 12 HN LEU 12 -13.102 -0.447 4.353 102 HA LEU 12 HA LEU 12 -11.705 -0.249 6.948 103 1HB LEU 12 HB2 LEU 12 -11.115 -1.612 4.300 104 2HB LEU 12 HB1 LEU 12 -10.125 -1.797 5.748 105 HG LEU 12 HG LEU 12 -13.085 -2.308 5.887 106 1HD1 LEU 12 HD11 LEU 12 -10.946 -4.106 4.747 107 2HD1 LEU 12 HD12 LEU 12 -12.541 -3.744 4.089 108 3HD1 LEU 12 HD13 LEU 12 -12.387 -4.773 5.513 109 1HD2 LEU 12 HD21 LEU 12 -10.640 -3.361 7.345 110 2HD2 LEU 12 HD22 LEU 12 -12.293 -3.892 7.657 111 3HD2 LEU 12 HD23 LEU 12 -11.828 -2.221 7.978 112 H LYS 13 HN LYS 13 -9.736 0.857 7.249 113 HA LYS 13 HA LYS 13 -8.407 2.216 4.995 114 1HB LYS 13 HB2 LYS 13 -10.195 3.538 7.006 115 2HB LYS 13 HB1 LYS 13 -8.781 4.422 6.431 116 1HG LYS 13 HG2 LYS 13 -9.705 3.549 4.065 117 2HG LYS 13 HG1 LYS 13 -11.230 3.595 4.950 118 1HD LYS 13 HD2 LYS 13 -9.294 5.920 4.910 119 2HD LYS 13 HD1 LYS 13 -10.604 5.748 3.741 120 1HE LYS 13 HE2 LYS 13 -11.254 5.515 6.666 121 2HE LYS 13 HE1 LYS 13 -11.019 7.126 5.958 122 1HZ LYS 13 HZ1 LYS 13 -12.554 6.482 4.167 123 2HZ LYS 13 HZ2 LYS 13 -13.309 6.467 5.689 124 3HZ LYS 13 HZ3 LYS 13 -12.846 5.008 4.953 125 H GLY 14 HN GLY 14 -6.737 3.893 6.206 126 1HA GLY 14 HA2 GLY 14 -5.488 4.028 8.435 127 2HA GLY 14 HA1 GLY 14 -5.424 2.267 8.345 128 H GLU 15 HN GLU 15 -3.006 3.087 8.531 129 HA GLU 15 HA GLU 15 -1.924 3.345 5.742 130 1HB GLU 15 HB2 GLU 15 -0.086 4.649 6.810 131 2HB GLU 15 HB1 GLU 15 -1.661 5.397 7.072 132 1HG GLU 15 HG2 GLU 15 -1.789 4.469 9.316 133 2HG GLU 15 HG1 GLU 15 -0.302 3.555 9.062 134 H THR 16 HN THR 16 0.301 2.377 5.524 135 HA THR 16 HA THR 16 1.150 0.438 7.578 136 HB THR 16 HB THR 16 -0.703 -0.716 6.453 137 HG1 THR 16 HG1 THR 16 0.420 -2.533 5.991 138 1HG2 THR 16 HG21 THR 16 0.867 -0.086 3.935 139 2HG2 THR 16 HG22 THR 16 -0.768 0.441 4.337 140 3HG2 THR 16 HG23 THR 16 -0.449 -1.260 4.002 141 H THR 17 HN THR 17 3.319 -0.152 7.291 142 HA THR 17 HA THR 17 4.666 0.777 4.776 143 HB THR 17 HB THR 17 6.545 1.467 6.322 144 HG1 THR 17 HG1 THR 17 6.208 1.425 8.458 145 1HG2 THR 17 HG21 THR 17 4.951 3.356 7.406 146 2HG2 THR 17 HG22 THR 17 3.854 2.712 6.186 147 3HG2 THR 17 HG23 THR 17 5.421 3.362 5.707 148 H THR 18 HN THR 18 6.668 -0.405 4.306 149 HA THR 18 HA THR 18 7.097 -2.898 5.858 150 HB THR 18 HB THR 18 5.809 -2.563 3.237 151 HG1 THR 18 HG1 THR 18 5.003 -3.831 4.902 152 1HG2 THR 18 HG21 THR 18 6.944 -4.377 2.056 153 2HG2 THR 18 HG22 THR 18 8.119 -4.528 3.363 154 3HG2 THR 18 HG23 THR 18 8.073 -3.061 2.383 155 H GLU 19 HN GLU 19 9.225 -3.888 5.273 156 HA GLU 19 HA GLU 19 11.177 -1.847 4.254 157 1HB GLU 19 HB2 GLU 19 11.107 -2.605 6.740 158 2HB GLU 19 HB1 GLU 19 11.775 -4.126 6.146 159 1HG GLU 19 HG2 GLU 19 13.434 -2.414 4.890 160 2HG GLU 19 HG1 GLU 19 13.039 -1.436 6.304 161 H ALA 20 HN ALA 20 11.961 -2.477 2.273 162 HA ALA 20 HA ALA 20 12.786 -5.290 1.852 163 1HB ALA 20 HB1 ALA 20 11.361 -5.078 -0.371 164 2HB ALA 20 HB2 ALA 20 10.459 -3.893 0.576 165 3HB ALA 20 HB3 ALA 20 10.585 -5.561 1.137 166 H VAL 21 HN VAL 21 13.590 -5.433 -0.579 167 HA VAL 21 HA VAL 21 15.782 -3.646 -0.935 168 HB VAL 21 HB VAL 21 15.588 -5.929 -1.868 169 1HG1 VAL 21 HG11 VAL 21 14.085 -6.520 -3.586 170 2HG1 VAL 21 HG12 VAL 21 13.734 -4.837 -3.974 171 3HG1 VAL 21 HG13 VAL 21 13.098 -5.550 -2.492 172 1HG2 VAL 21 HG21 VAL 21 16.520 -5.463 -4.084 173 2HG2 VAL 21 HG22 VAL 21 17.139 -4.297 -2.913 174 3HG2 VAL 21 HG23 VAL 21 15.858 -3.829 -4.032 175 H ASP 22 HN ASP 22 12.524 -3.654 -2.334 176 HA ASP 22 HA ASP 22 12.831 -0.805 -3.087 177 1HB ASP 22 HB2 ASP 22 13.772 -2.192 -4.919 178 2HB ASP 22 HB1 ASP 22 12.244 -3.064 -5.026 179 H ALA 23 HN ALA 23 10.717 0.143 -3.646 180 HA ALA 23 HA ALA 23 8.533 -0.786 -2.052 181 1HB ALA 23 HB1 ALA 23 7.306 0.879 -3.696 182 2HB ALA 23 HB2 ALA 23 8.940 1.198 -4.277 183 3HB ALA 23 HB3 ALA 23 8.531 1.496 -2.587 184 H ALA 24 HN ALA 24 9.477 -1.489 -5.365 185 HA ALA 24 HA ALA 24 7.010 -2.514 -6.379 186 1HB ALA 24 HB1 ALA 24 8.905 -2.089 -7.815 187 2HB ALA 24 HB2 ALA 24 8.609 -3.827 -7.867 188 3HB ALA 24 HB3 ALA 24 9.925 -3.186 -6.883 189 H THR 25 HN THR 25 9.692 -4.149 -4.680 190 HA THR 25 HA THR 25 8.457 -6.757 -4.611 191 HB THR 25 HB THR 25 10.641 -5.371 -3.019 192 HG1 THR 25 HG1 THR 25 11.041 -5.814 -5.212 193 1HG2 THR 25 HG21 THR 25 9.625 -7.196 -1.660 194 2HG2 THR 25 HG22 THR 25 11.281 -7.569 -2.150 195 3HG2 THR 25 HG23 THR 25 9.923 -8.320 -2.990 196 H ALA 26 HN ALA 26 8.739 -4.152 -2.150 197 HA ALA 26 HA ALA 26 7.264 -5.446 -0.094 198 1HB ALA 26 HB1 ALA 26 8.524 -3.488 0.419 199 2HB ALA 26 HB2 ALA 26 6.841 -2.984 0.595 200 3HB ALA 26 HB3 ALA 26 7.748 -2.558 -0.862 201 H GLU 27 HN GLU 27 6.112 -2.949 -2.385 202 HA GLU 27 HA GLU 27 3.436 -2.773 -1.814 203 1HB GLU 27 HB2 GLU 27 4.706 -1.585 -3.595 204 2HB GLU 27 HB1 GLU 27 4.660 -3.048 -4.578 205 1HG GLU 27 HG2 GLU 27 2.060 -2.886 -4.158 206 2HG GLU 27 HG1 GLU 27 2.424 -1.189 -3.845 207 H LYS 28 HN LYS 28 4.948 -5.510 -3.525 208 HA LYS 28 HA LYS 28 2.507 -6.823 -4.336 209 1HB LYS 28 HB2 LYS 28 5.242 -7.934 -3.576 210 2HB LYS 28 HB1 LYS 28 4.015 -8.797 -4.503 211 1HG LYS 28 HG2 LYS 28 4.311 -7.473 -6.391 212 2HG LYS 28 HG1 LYS 28 4.925 -6.105 -5.461 213 1HD LYS 28 HD2 LYS 28 6.929 -6.854 -6.312 214 2HD LYS 28 HD1 LYS 28 6.851 -7.886 -4.883 215 1HE LYS 28 HE2 LYS 28 5.516 -9.515 -6.466 216 2HE LYS 28 HE1 LYS 28 6.321 -8.600 -7.757 217 1HZ LYS 28 HZ1 LYS 28 7.701 -9.790 -5.409 218 2HZ LYS 28 HZ2 LYS 28 8.438 -8.981 -6.708 219 3HZ LYS 28 HZ3 LYS 28 7.676 -10.478 -6.959 220 H VAL 29 HN VAL 29 4.589 -7.101 -1.456 221 HA VAL 29 HA VAL 29 2.958 -9.038 -0.052 222 HB VAL 29 HB VAL 29 5.087 -6.996 0.662 223 1HG1 VAL 29 HG11 VAL 29 3.574 -7.174 2.626 224 2HG1 VAL 29 HG12 VAL 29 5.155 -7.894 2.951 225 3HG1 VAL 29 HG13 VAL 29 3.771 -8.930 2.601 226 1HG2 VAL 29 HG21 VAL 29 5.391 -9.338 -0.526 227 2HG2 VAL 29 HG22 VAL 29 5.246 -9.953 1.121 228 3HG2 VAL 29 HG23 VAL 29 6.529 -8.814 0.715 229 H LEU 30 HN LEU 30 3.036 -5.479 -0.210 230 HA LEU 30 HA LEU 30 1.131 -5.014 1.881 231 1HB LEU 30 HB2 LEU 30 2.101 -3.506 -0.555 232 2HB LEU 30 HB1 LEU 30 0.875 -2.815 0.494 233 HG LEU 30 HG LEU 30 3.416 -2.246 0.881 234 1HD1 LEU 30 HD11 LEU 30 2.996 -2.096 3.352 235 2HD1 LEU 30 HD12 LEU 30 1.484 -2.974 3.083 236 3HD1 LEU 30 HD13 LEU 30 1.728 -1.390 2.343 237 1HD2 LEU 30 HD21 LEU 30 4.413 -4.381 1.092 238 2HD2 LEU 30 HD22 LEU 30 3.189 -4.943 2.228 239 3HD2 LEU 30 HD23 LEU 30 4.349 -3.727 2.715 240 H LYS 31 HN LYS 31 0.862 -5.825 -1.531 241 HA LYS 31 HA LYS 31 -1.945 -5.304 -1.943 242 1HB LYS 31 HB2 LYS 31 -0.059 -5.978 -3.609 243 2HB LYS 31 HB1 LYS 31 -0.308 -7.603 -3.040 244 1HG LYS 31 HG2 LYS 31 -2.881 -6.917 -3.539 245 2HG LYS 31 HG1 LYS 31 -2.068 -5.920 -4.742 246 1HD LYS 31 HD2 LYS 31 -2.704 -8.178 -5.615 247 2HD LYS 31 HD1 LYS 31 -0.969 -7.877 -5.692 248 1HE LYS 31 HE2 LYS 31 -0.496 -9.348 -3.947 249 2HE LYS 31 HE1 LYS 31 -2.131 -9.242 -3.265 250 1HZ LYS 31 HZ1 LYS 31 -1.977 -11.301 -4.452 251 2HZ LYS 31 HZ2 LYS 31 -1.334 -10.534 -5.826 252 3HZ LYS 31 HZ3 LYS 31 -2.948 -10.259 -5.373 253 H GLN 32 HN GLN 32 -0.113 -8.181 -0.992 254 HA GLN 32 HA GLN 32 -2.185 -10.039 -0.572 255 1HB GLN 32 HB2 GLN 32 0.549 -9.519 0.491 256 2HB GLN 32 HB1 GLN 32 -0.442 -10.706 1.342 257 1HG GLN 32 HG2 GLN 32 -0.533 -12.148 -0.473 258 2HG GLN 32 HG1 GLN 32 -0.286 -10.850 -1.642 259 1HE2 GLN 32 HE21 GLN 32 1.375 -13.029 0.608 260 2HE2 GLN 32 HE22 GLN 32 2.948 -12.704 0.034 261 H TYR 33 HN TYR 33 -0.921 -7.529 1.609 262 HA TYR 33 HA TYR 33 -2.528 -8.153 3.923 263 1HB TYR 33 HB2 TYR 33 -0.536 -6.716 3.958 264 2HB TYR 33 HB1 TYR 33 -1.317 -5.566 2.873 265 HD1 TYR 33 HD1 TYR 33 -1.482 -7.111 6.231 266 HD2 TYR 33 HD2 TYR 33 -2.851 -3.935 3.692 267 HE1 TYR 33 HE1 TYR 33 -2.518 -6.009 8.181 268 HE2 TYR 33 HE2 TYR 33 -3.885 -2.820 5.648 269 HH TYR 33 HH TYR 33 -3.145 -3.472 8.743 270 H ILE 34 HN ILE 34 -3.014 -6.060 1.097 271 HA ILE 34 HA ILE 34 -5.549 -4.934 1.886 272 HB ILE 34 HB ILE 34 -4.287 -5.460 -0.823 273 1HG1 ILE 34 HG12 ILE 34 -3.049 -4.065 1.007 274 2HG1 ILE 34 HG11 ILE 34 -3.164 -3.406 -0.619 275 1HG2 ILE 34 HG21 ILE 34 -6.807 -4.163 -0.029 276 2HG2 ILE 34 HG22 ILE 34 -6.316 -4.816 -1.592 277 3HG2 ILE 34 HG23 ILE 34 -5.803 -3.199 -1.113 278 1HD1 ILE 34 HD11 ILE 34 -5.419 -2.703 1.155 279 2HD1 ILE 34 HD12 ILE 34 -4.489 -1.686 0.055 280 3HD1 ILE 34 HD13 ILE 34 -3.858 -2.055 1.661 281 H ASN 35 HN ASN 35 -4.593 -7.993 0.458 282 HA ASN 35 HA ASN 35 -6.972 -8.848 -0.803 283 1HB ASN 35 HB2 ASN 35 -4.659 -9.913 -0.702 284 2HB ASN 35 HB1 ASN 35 -5.117 -10.553 0.877 285 1HD2 ASN 35 HD21 ASN 35 -5.282 -12.783 0.271 286 2HD2 ASN 35 HD22 ASN 35 -6.427 -13.350 -0.846 287 H ASP 36 HN ASP 36 -5.974 -9.494 2.589 288 HA ASP 36 HA ASP 36 -8.412 -10.747 3.395 289 1HB ASP 36 HB2 ASP 36 -7.545 -10.251 5.680 290 2HB ASP 36 HB1 ASP 36 -6.295 -10.904 4.622 291 H ASN 37 HN ASN 37 -7.580 -7.365 2.993 292 HA ASN 37 HA ASN 37 -9.856 -6.382 4.582 293 1HB ASN 37 HB2 ASN 37 -7.875 -5.058 2.697 294 2HB ASN 37 HB1 ASN 37 -9.019 -4.190 3.726 295 1HD2 ASN 37 HD21 ASN 37 -5.932 -4.404 3.775 296 2HD2 ASN 37 HD22 ASN 37 -5.585 -4.826 5.391 297 H GLY 38 HN GLY 38 -9.101 -7.078 1.215 298 1HA GLY 38 HA2 GLY 38 -10.584 -7.318 -0.606 299 2HA GLY 38 HA1 GLY 38 -11.917 -6.925 0.480 300 H ILE 39 HN ILE 39 -9.063 -4.897 0.074 301 HA ILE 39 HA ILE 39 -10.823 -2.806 -1.166 302 HB ILE 39 HB ILE 39 -8.383 -2.551 0.627 303 1HG1 ILE 39 HG12 ILE 39 -10.321 -3.440 1.852 304 2HG1 ILE 39 HG11 ILE 39 -10.020 -1.766 2.327 305 1HG2 ILE 39 HG21 ILE 39 -10.209 -0.551 -0.695 306 2HG2 ILE 39 HG22 ILE 39 -8.446 -0.585 -0.668 307 3HG2 ILE 39 HG23 ILE 39 -9.341 -0.146 0.786 308 1HD1 ILE 39 HD11 ILE 39 -12.332 -2.929 0.902 309 2HD1 ILE 39 HD12 ILE 39 -11.735 -1.416 0.220 310 3HD1 ILE 39 HD13 ILE 39 -12.240 -1.484 1.909 311 H ASP 40 HN ASP 40 -9.966 -4.198 -3.154 312 HA ASP 40 HA ASP 40 -7.290 -3.163 -4.026 313 1HB ASP 40 HB2 ASP 40 -8.931 -5.631 -4.522 314 2HB ASP 40 HB1 ASP 40 -7.762 -5.124 -5.746 315 H GLY 41 HN GLY 41 -7.577 -1.352 -5.285 316 1HA GLY 41 HA2 GLY 41 -9.512 -1.514 -7.530 317 2HA GLY 41 HA1 GLY 41 -9.647 -0.138 -6.431 318 H GLU 42 HN GLU 42 -7.852 1.373 -6.330 319 HA GLU 42 HA GLU 42 -5.905 1.162 -8.598 320 1HB GLU 42 HB2 GLU 42 -8.134 3.004 -8.165 321 2HB GLU 42 HB1 GLU 42 -6.608 3.868 -8.347 322 1HG GLU 42 HG2 GLU 42 -6.324 3.201 -10.523 323 2HG GLU 42 HG1 GLU 42 -7.116 1.647 -10.262 324 H TRP 43 HN TRP 43 -3.880 1.328 -7.748 325 HA TRP 43 HA TRP 43 -3.480 2.716 -5.140 326 1HB TRP 43 HB2 TRP 43 -1.766 0.912 -6.881 327 2HB TRP 43 HB1 TRP 43 -1.198 1.637 -5.388 328 HD1 TRP 43 HD1 TRP 43 -4.781 0.264 -5.605 329 HE1 TRP 43 HE1 TRP 43 -4.939 -1.817 -4.117 330 HE3 TRP 43 HE3 TRP 43 0.115 -0.251 -4.312 331 HZ2 TRP 43 HZ2 TRP 43 -3.230 -3.461 -2.541 332 HZ3 TRP 43 HZ3 TRP 43 0.820 -2.079 -2.784 333 HH2 TRP 43 HH2 TRP 43 -0.841 -3.677 -1.902 334 H THR 44 HN THR 44 -1.450 4.098 -5.023 335 HA THR 44 HA THR 44 -0.577 5.301 -7.589 336 HB THR 44 HB THR 44 -1.148 7.559 -6.820 337 HG1 THR 44 HG1 THR 44 -2.257 7.834 -4.902 338 1HG2 THR 44 HG21 THR 44 -3.612 5.854 -6.450 339 2HG2 THR 44 HG22 THR 44 -2.845 6.056 -8.025 340 3HG2 THR 44 HG23 THR 44 -3.494 7.458 -7.174 341 H TYR 45 HN TYR 45 1.576 5.697 -7.466 342 HA TYR 45 HA TYR 45 2.956 5.350 -4.870 343 1HB TYR 45 HB2 TYR 45 3.709 4.139 -6.856 344 2HB TYR 45 HB1 TYR 45 3.860 5.644 -7.758 345 HD1 TYR 45 HD1 TYR 45 6.080 6.197 -8.122 346 HD2 TYR 45 HD2 TYR 45 4.941 4.533 -4.329 347 HE1 TYR 45 HE1 TYR 45 8.405 6.464 -7.308 348 HE2 TYR 45 HE2 TYR 45 7.270 4.800 -3.513 349 HH TYR 45 HH TYR 45 9.875 5.494 -5.603 350 H ASP 46 HN ASP 46 4.347 7.000 -3.990 351 HA ASP 46 HA ASP 46 4.085 9.725 -5.224 352 1HB ASP 46 HB2 ASP 46 3.995 9.000 -2.272 353 2HB ASP 46 HB1 ASP 46 3.796 10.611 -2.954 354 H ASP 47 HN ASP 47 6.039 10.715 -5.499 355 HA ASP 47 HA ASP 47 8.509 9.395 -4.692 356 1HB ASP 47 HB2 ASP 47 9.517 11.350 -5.849 357 2HB ASP 47 HB1 ASP 47 8.237 10.613 -6.811 358 H ALA 48 HN ALA 48 6.386 11.369 -2.957 359 HA ALA 48 HA ALA 48 8.017 13.224 -1.578 360 1HB ALA 48 HB1 ALA 48 5.497 11.691 -1.089 361 2HB ALA 48 HB2 ALA 48 5.754 13.437 -1.140 362 3HB ALA 48 HB3 ALA 48 6.220 12.519 0.292 363 H THR 49 HN THR 49 6.905 10.174 -0.097 364 HA THR 49 HA THR 49 9.653 9.760 1.029 365 HB THR 49 HB THR 49 8.142 10.860 2.660 366 HG1 THR 49 HG1 THR 49 9.145 9.639 4.013 367 1HG2 THR 49 HG21 THR 49 6.398 8.436 2.145 368 2HG2 THR 49 HG22 THR 49 5.997 10.114 1.776 369 3HG2 THR 49 HG23 THR 49 6.139 9.590 3.455 370 H LYS 50 HN LYS 50 8.356 8.480 -1.260 371 HA LYS 50 HA LYS 50 8.014 6.324 -2.134 372 1HB LYS 50 HB2 LYS 50 9.205 5.415 0.506 373 2HB LYS 50 HB1 LYS 50 9.220 4.537 -1.019 374 1HG LYS 50 HG2 LYS 50 10.577 7.214 -0.586 375 2HG LYS 50 HG1 LYS 50 11.403 5.658 -0.501 376 1HD LYS 50 HD2 LYS 50 9.857 6.627 -2.920 377 2HD LYS 50 HD1 LYS 50 11.605 6.777 -2.740 378 1HE LYS 50 HE2 LYS 50 11.297 4.132 -2.165 379 2HE LYS 50 HE1 LYS 50 9.980 4.367 -3.331 380 1HZ LYS 50 HZ1 LYS 50 11.899 3.958 -4.614 381 2HZ LYS 50 HZ2 LYS 50 12.856 5.004 -3.678 382 3HZ LYS 50 HZ3 LYS 50 11.655 5.634 -4.703 383 H THR 51 HN THR 51 5.754 7.437 -1.028 384 HA THR 51 HA THR 51 4.538 5.451 0.814 385 HB THR 51 HB THR 51 3.057 7.770 -0.378 386 HG1 THR 51 HG1 THR 51 4.301 9.216 0.499 387 1HG2 THR 51 HG21 THR 51 2.668 5.986 1.753 388 2HG2 THR 51 HG22 THR 51 1.738 7.446 1.416 389 3HG2 THR 51 HG23 THR 51 3.115 7.514 2.514 390 H TRP 52 HN TRP 52 1.958 5.310 0.037 391 HA TRP 52 HA TRP 52 1.750 4.706 -2.849 392 1HB TRP 52 HB2 TRP 52 1.837 2.694 -0.605 393 2HB TRP 52 HB1 TRP 52 0.969 2.347 -2.097 394 HD1 TRP 52 HD1 TRP 52 4.438 2.625 -0.664 395 HE1 TRP 52 HE1 TRP 52 6.159 1.958 -2.470 396 HE3 TRP 52 HE3 TRP 52 1.368 2.350 -4.689 397 HZ2 TRP 52 HZ2 TRP 52 6.204 1.374 -5.284 398 HZ3 TRP 52 HZ3 TRP 52 2.250 1.735 -6.931 399 HH2 TRP 52 HH2 TRP 52 4.665 1.244 -7.229 400 H THR 53 HN THR 53 -0.567 3.336 -2.932 401 HA THR 53 HA THR 53 -2.535 4.351 -1.001 402 HB THR 53 HB THR 53 -2.669 5.216 -3.904 403 HG1 THR 53 HG1 THR 53 -1.097 6.476 -3.244 404 1HG2 THR 53 HG21 THR 53 -4.832 5.380 -3.079 405 2HG2 THR 53 HG22 THR 53 -4.196 6.970 -2.658 406 3HG2 THR 53 HG23 THR 53 -4.289 5.705 -1.433 407 H VAL 54 HN VAL 54 -4.812 3.650 -1.756 408 HA VAL 54 HA VAL 54 -5.054 1.563 -3.767 409 HB VAL 54 HB VAL 54 -3.766 0.318 -2.126 410 1HG1 VAL 54 HG11 VAL 54 -5.230 0.147 0.197 411 2HG1 VAL 54 HG12 VAL 54 -5.443 1.836 -0.255 412 3HG1 VAL 54 HG13 VAL 54 -3.823 1.179 -0.042 413 1HG2 VAL 54 HG21 VAL 54 -5.112 -1.544 -1.976 414 2HG2 VAL 54 HG22 VAL 54 -6.111 -0.591 -3.081 415 3HG2 VAL 54 HG23 VAL 54 -6.490 -0.628 -1.359 416 H THR 55 HN THR 55 -6.845 3.032 -4.251 417 HA THR 55 HA THR 55 -9.032 3.284 -2.276 418 HB THR 55 HB THR 55 -8.996 4.163 -5.169 419 HG1 THR 55 HG1 THR 55 -7.916 6.004 -4.474 420 1HG2 THR 55 HG21 THR 55 -10.232 5.292 -2.641 421 2HG2 THR 55 HG22 THR 55 -11.092 4.446 -3.928 422 3HG2 THR 55 HG23 THR 55 -10.357 6.018 -4.244 423 H GLU 56 HN GLU 56 -10.693 1.823 -2.207 424 HA GLU 56 HA GLU 56 -10.886 -0.475 -3.889 425 1HB GLU 56 HB2 GLU 56 -11.876 0.156 -1.535 426 2HB GLU 56 HB1 GLU 56 -13.247 0.745 -2.476 427 1HG GLU 56 HG2 GLU 56 -12.119 -2.008 -2.955 428 2HG GLU 56 HG1 GLU 56 -13.295 -1.724 -1.671 Start of MODEL 34 1 1H THR 1 HT1 THR 1 15.791 2.627 3.178 2 2H THR 1 HT2 THR 1 14.852 1.254 3.526 3 3H THR 1 HT3 THR 1 14.750 2.631 4.517 4 HA THR 1 HA THR 1 13.865 3.898 2.583 5 HB THR 1 HB THR 1 13.658 1.124 1.386 6 HG1 THR 1 HG1 THR 1 15.509 1.522 0.319 7 1HG2 THR 1 HG21 THR 1 13.528 2.671 -0.710 8 2HG2 THR 1 HG22 THR 1 13.156 3.940 0.457 9 3HG2 THR 1 HG23 THR 1 12.108 2.527 0.326 10 H THR 2 HN THR 2 11.976 4.361 3.642 11 HA THR 2 HA THR 2 10.264 2.123 4.629 12 HB THR 2 HB THR 2 9.991 5.086 5.168 13 HG1 THR 2 HG1 THR 2 12.066 4.637 5.726 14 1HG2 THR 2 HG21 THR 2 9.378 3.782 7.462 15 2HG2 THR 2 HG22 THR 2 8.924 2.554 6.282 16 3HG2 THR 2 HG23 THR 2 8.188 4.155 6.216 17 H PHE 3 HN PHE 3 9.128 1.551 2.723 18 HA PHE 3 HA PHE 3 8.002 3.373 0.826 19 1HB PHE 3 HB2 PHE 3 7.204 0.576 1.702 20 2HB PHE 3 HB1 PHE 3 6.634 1.360 0.227 21 HD1 PHE 3 HD1 PHE 3 8.703 2.561 -1.116 22 HD2 PHE 3 HD2 PHE 3 8.981 -0.915 1.401 23 HE1 PHE 3 HE1 PHE 3 10.777 1.875 -2.288 24 HE2 PHE 3 HE2 PHE 3 11.053 -1.597 0.225 25 HZ PHE 3 HZ PHE 3 11.952 -0.202 -1.617 26 H LYS 4 HN LYS 4 5.520 3.566 0.533 27 HA LYS 4 HA LYS 4 4.065 3.741 3.137 28 1HB LYS 4 HB2 LYS 4 5.364 5.883 2.169 29 2HB LYS 4 HB1 LYS 4 3.888 6.023 1.217 30 1HG LYS 4 HG2 LYS 4 2.620 5.756 3.431 31 2HG LYS 4 HG1 LYS 4 4.171 6.037 4.220 32 1HD LYS 4 HD2 LYS 4 3.572 8.228 4.077 33 2HD LYS 4 HD1 LYS 4 4.165 8.076 2.423 34 1HE LYS 4 HE2 LYS 4 2.060 8.203 1.533 35 2HE LYS 4 HE1 LYS 4 1.354 7.212 2.825 36 1HZ LYS 4 HZ1 LYS 4 1.567 9.068 4.342 37 2HZ LYS 4 HZ2 LYS 4 0.650 9.538 2.991 38 3HZ LYS 4 HZ3 LYS 4 2.273 10.023 3.131 39 H LEU 5 HN LEU 5 1.816 3.487 2.907 40 HA LEU 5 HA LEU 5 0.636 3.446 0.180 41 1HB LEU 5 HB2 LEU 5 1.618 1.147 1.107 42 2HB LEU 5 HB1 LEU 5 0.109 1.127 2.009 43 HG LEU 5 HG LEU 5 -0.336 1.876 -0.778 44 1HD1 LEU 5 HD11 LEU 5 1.722 0.243 -0.813 45 2HD1 LEU 5 HD12 LEU 5 0.372 -0.035 -1.920 46 3HD1 LEU 5 HD13 LEU 5 0.512 -0.989 -0.435 47 1HD2 LEU 5 HD21 LEU 5 -1.396 -0.049 1.255 48 2HD2 LEU 5 HD22 LEU 5 -1.791 -0.324 -0.442 49 3HD2 LEU 5 HD23 LEU 5 -2.247 1.192 0.336 50 H ILE 6 HN ILE 6 -1.402 4.298 0.254 51 HA ILE 6 HA ILE 6 -2.603 4.832 2.931 52 HB ILE 6 HB ILE 6 -2.997 5.980 0.154 53 1HG1 ILE 6 HG12 ILE 6 -0.847 6.519 1.267 54 2HG1 ILE 6 HG11 ILE 6 -1.865 7.948 1.092 55 1HG2 ILE 6 HG21 ILE 6 -5.090 6.345 1.139 56 2HG2 ILE 6 HG22 ILE 6 -4.210 7.808 1.583 57 3HG2 ILE 6 HG23 ILE 6 -4.409 6.509 2.758 58 1HD1 ILE 6 HD11 ILE 6 -2.597 6.832 3.566 59 2HD1 ILE 6 HD12 ILE 6 -1.621 8.278 3.310 60 3HD1 ILE 6 HD13 ILE 6 -0.839 6.710 3.510 61 H ILE 7 HN ILE 7 -4.445 3.767 3.522 62 HA ILE 7 HA ILE 7 -5.655 1.798 1.704 63 HB ILE 7 HB ILE 7 -6.292 2.664 4.545 64 1HG1 ILE 7 HG12 ILE 7 -3.990 1.807 4.300 65 2HG1 ILE 7 HG11 ILE 7 -4.987 0.668 5.200 66 1HG2 ILE 7 HG21 ILE 7 -8.190 1.481 3.926 67 2HG2 ILE 7 HG22 ILE 7 -7.162 0.164 4.490 68 3HG2 ILE 7 HG23 ILE 7 -7.316 0.484 2.763 69 1HD1 ILE 7 HD11 ILE 7 -4.181 0.485 2.284 70 2HD1 ILE 7 HD12 ILE 7 -5.380 -0.571 3.031 71 3HD1 ILE 7 HD13 ILE 7 -3.708 -0.601 3.591 72 H ASN 8 HN ASN 8 -7.300 2.369 0.346 73 HA ASN 8 HA ASN 8 -9.060 4.675 1.113 74 1HB ASN 8 HB2 ASN 8 -7.878 3.661 -1.460 75 2HB ASN 8 HB1 ASN 8 -9.378 4.587 -1.508 76 1HD2 ASN 8 HD21 ASN 8 -8.087 6.314 -2.638 77 2HD2 ASN 8 HD22 ASN 8 -7.115 7.363 -1.709 78 H GLY 9 HN GLY 9 -9.800 2.303 2.218 79 1HA GLY 9 HA2 GLY 9 -11.587 0.813 0.430 80 2HA GLY 9 HA1 GLY 9 -11.370 0.523 2.161 81 H LYS 10 HN LYS 10 -13.865 0.869 0.520 82 HA LYS 10 HA LYS 10 -15.159 3.332 0.922 83 1HB LYS 10 HB2 LYS 10 -16.233 0.498 1.025 84 2HB LYS 10 HB1 LYS 10 -17.222 1.938 0.779 85 1HG LYS 10 HG2 LYS 10 -15.583 2.437 -1.189 86 2HG LYS 10 HG1 LYS 10 -15.167 0.727 -1.059 87 1HD LYS 10 HD2 LYS 10 -17.222 0.026 -1.806 88 2HD LYS 10 HD1 LYS 10 -18.067 1.398 -1.087 89 1HE LYS 10 HE2 LYS 10 -17.650 2.786 -2.911 90 2HE LYS 10 HE1 LYS 10 -16.185 1.900 -3.378 91 1HZ LYS 10 HZ1 LYS 10 -18.182 1.437 -4.795 92 2HZ LYS 10 HZ2 LYS 10 -18.900 0.705 -3.440 93 3HZ LYS 10 HZ3 LYS 10 -17.471 0.063 -4.098 94 H THR 11 HN THR 11 -14.604 0.684 3.191 95 HA THR 11 HA THR 11 -16.019 2.242 5.330 96 HB THR 11 HB THR 11 -15.298 -0.698 5.325 97 HG1 THR 11 HG1 THR 11 -17.311 -1.067 4.449 98 1HG2 THR 11 HG21 THR 11 -15.917 0.140 7.493 99 2HG2 THR 11 HG22 THR 11 -17.305 -0.748 6.863 100 3HG2 THR 11 HG23 THR 11 -17.294 1.015 6.821 101 H LEU 12 HN LEU 12 -13.036 0.589 4.419 102 HA LEU 12 HA LEU 12 -11.796 1.289 7.047 103 1HB LEU 12 HB2 LEU 12 -11.016 -0.532 4.749 104 2HB LEU 12 HB1 LEU 12 -10.018 -0.283 6.182 105 HG LEU 12 HG LEU 12 -12.883 -1.015 6.601 106 1HD1 LEU 12 HD11 LEU 12 -12.690 -3.214 5.958 107 2HD1 LEU 12 HD12 LEU 12 -10.952 -3.257 6.256 108 3HD1 LEU 12 HD13 LEU 12 -11.576 -2.510 4.786 109 1HD2 LEU 12 HD21 LEU 12 -11.543 -2.461 8.359 110 2HD2 LEU 12 HD22 LEU 12 -11.743 -0.727 8.616 111 3HD2 LEU 12 HD23 LEU 12 -10.228 -1.354 7.965 112 H LYS 13 HN LYS 13 -9.649 2.312 7.000 113 HA LYS 13 HA LYS 13 -8.577 3.457 4.544 114 1HB LYS 13 HB2 LYS 13 -10.784 4.722 5.627 115 2HB LYS 13 HB1 LYS 13 -9.450 5.626 6.344 116 1HG LYS 13 HG2 LYS 13 -8.587 6.253 4.232 117 2HG LYS 13 HG1 LYS 13 -9.521 5.017 3.389 118 1HD LYS 13 HD2 LYS 13 -10.785 6.919 2.934 119 2HD LYS 13 HD1 LYS 13 -11.586 6.316 4.385 120 1HE LYS 13 HE2 LYS 13 -9.835 7.828 5.648 121 2HE LYS 13 HE1 LYS 13 -9.740 8.672 4.090 122 1HZ LYS 13 HZ1 LYS 13 -11.523 9.642 5.313 123 2HZ LYS 13 HZ2 LYS 13 -12.181 8.121 5.689 124 3HZ LYS 13 HZ3 LYS 13 -12.216 8.693 4.090 125 H GLY 14 HN GLY 14 -6.839 5.199 5.216 126 1HA GLY 14 HA2 GLY 14 -5.588 5.922 7.362 127 2HA GLY 14 HA1 GLY 14 -5.476 4.190 7.671 128 H GLU 15 HN GLU 15 -3.084 4.942 7.623 129 HA GLU 15 HA GLU 15 -2.052 4.600 4.828 130 1HB GLU 15 HB2 GLU 15 -0.271 6.220 5.462 131 2HB GLU 15 HB1 GLU 15 -1.876 6.940 5.578 132 1HG GLU 15 HG2 GLU 15 -1.894 6.491 8.014 133 2HG GLU 15 HG1 GLU 15 -0.274 5.804 7.892 134 H THR 16 HN THR 16 0.216 3.704 4.818 135 HA THR 16 HA THR 16 1.147 2.388 7.294 136 HB THR 16 HB THR 16 -0.627 0.899 6.479 137 HG1 THR 16 HG1 THR 16 0.827 -0.420 7.244 138 1HG2 THR 16 HG21 THR 16 0.921 1.086 3.887 139 2HG2 THR 16 HG22 THR 16 -0.790 1.413 4.166 140 3HG2 THR 16 HG23 THR 16 -0.190 -0.243 4.222 141 H THR 17 HN THR 17 3.285 1.459 7.035 142 HA THR 17 HA THR 17 4.667 2.025 4.443 143 HB THR 17 HB THR 17 6.469 3.131 5.712 144 HG1 THR 17 HG1 THR 17 4.740 2.652 7.907 145 1HG2 THR 17 HG21 THR 17 4.064 4.231 5.074 146 2HG2 THR 17 HG22 THR 17 5.408 5.148 5.753 147 3HG2 THR 17 HG23 THR 17 4.120 4.562 6.805 148 H THR 18 HN THR 18 6.696 0.805 4.238 149 HA THR 18 HA THR 18 7.171 -1.296 6.270 150 HB THR 18 HB THR 18 5.847 -1.572 3.656 151 HG1 THR 18 HG1 THR 18 5.121 -2.431 5.630 152 1HG2 THR 18 HG21 THR 18 8.212 -3.396 4.199 153 2HG2 THR 18 HG22 THR 18 8.092 -2.217 2.892 154 3HG2 THR 18 HG23 THR 18 7.007 -3.609 2.927 155 H GLU 19 HN GLU 19 9.317 -2.314 5.936 156 HA GLU 19 HA GLU 19 11.207 -0.541 4.420 157 1HB GLU 19 HB2 GLU 19 11.175 -0.698 7.022 158 2HB GLU 19 HB1 GLU 19 11.896 -2.290 6.783 159 1HG GLU 19 HG2 GLU 19 13.479 -0.871 5.139 160 2HG GLU 19 HG1 GLU 19 13.052 0.408 6.277 161 H ALA 20 HN ALA 20 11.975 -1.607 2.632 162 HA ALA 20 HA ALA 20 12.866 -4.421 2.875 163 1HB ALA 20 HB1 ALA 20 11.399 -4.763 0.689 164 2HB ALA 20 HB2 ALA 20 10.478 -3.419 1.367 165 3HB ALA 20 HB3 ALA 20 10.668 -4.912 2.288 166 H VAL 21 HN VAL 21 13.692 -5.132 0.582 167 HA VAL 21 HA VAL 21 15.795 -3.403 -0.256 168 HB VAL 21 HB VAL 21 15.713 -5.856 -0.555 169 1HG1 VAL 21 HG11 VAL 21 14.239 -6.949 -2.032 170 2HG1 VAL 21 HG12 VAL 21 13.810 -5.449 -2.852 171 3HG1 VAL 21 HG13 VAL 21 13.206 -5.768 -1.226 172 1HG2 VAL 21 HG21 VAL 21 15.945 -4.253 -3.111 173 2HG2 VAL 21 HG22 VAL 21 16.490 -5.921 -2.944 174 3HG2 VAL 21 HG23 VAL 21 17.246 -4.647 -1.987 175 H ASP 22 HN ASP 22 12.542 -3.927 -1.573 176 HA ASP 22 HA ASP 22 12.715 -1.361 -3.041 177 1HB ASP 22 HB2 ASP 22 13.744 -3.122 -4.458 178 2HB ASP 22 HB1 ASP 22 12.262 -4.069 -4.332 179 H ALA 23 HN ALA 23 10.553 -0.733 -3.872 180 HA ALA 23 HA ALA 23 8.404 -1.275 -2.071 181 1HB ALA 23 HB1 ALA 23 8.555 -0.143 -4.880 182 2HB ALA 23 HB2 ALA 23 8.487 0.756 -3.365 183 3HB ALA 23 HB3 ALA 23 7.072 -0.134 -3.926 184 H ALA 24 HN ALA 24 9.434 -2.886 -5.019 185 HA ALA 24 HA ALA 24 7.045 -4.292 -5.695 186 1HB ALA 24 HB1 ALA 24 8.756 -5.932 -6.667 187 2HB ALA 24 HB2 ALA 24 10.001 -4.916 -5.942 188 3HB ALA 24 HB3 ALA 24 8.935 -4.254 -7.182 189 H THR 25 HN THR 25 9.757 -5.229 -3.563 190 HA THR 25 HA THR 25 8.599 -7.732 -2.708 191 HB THR 25 HB THR 25 10.731 -5.869 -1.613 192 HG1 THR 25 HG1 THR 25 10.900 -8.407 -2.853 193 1HG2 THR 25 HG21 THR 25 9.761 -7.231 0.233 194 2HG2 THR 25 HG22 THR 25 11.429 -7.689 -0.129 195 3HG2 THR 25 HG23 THR 25 10.097 -8.693 -0.701 196 H ALA 26 HN ALA 26 8.786 -4.500 -1.143 197 HA ALA 26 HA ALA 26 7.342 -5.161 1.213 198 1HB ALA 26 HB1 ALA 26 6.848 -2.636 1.168 199 2HB ALA 26 HB2 ALA 26 7.681 -2.612 -0.392 200 3HB ALA 26 HB3 ALA 26 8.550 -3.095 1.063 201 H GLU 27 HN GLU 27 6.112 -3.487 -1.700 202 HA GLU 27 HA GLU 27 3.428 -3.264 -1.194 203 1HB GLU 27 HB2 GLU 27 4.657 -2.586 -3.246 204 2HB GLU 27 HB1 GLU 27 4.692 -4.271 -3.765 205 1HG GLU 27 HG2 GLU 27 2.095 -4.154 -3.452 206 2HG GLU 27 HG1 GLU 27 2.339 -2.410 -3.554 207 H LYS 28 HN LYS 28 5.058 -6.321 -2.035 208 HA LYS 28 HA LYS 28 2.681 -7.906 -2.437 209 1HB LYS 28 HB2 LYS 28 5.447 -8.620 -1.381 210 2HB LYS 28 HB1 LYS 28 4.265 -9.784 -1.979 211 1HG LYS 28 HG2 LYS 28 4.496 -9.091 -4.188 212 2HG LYS 28 HG1 LYS 28 5.065 -7.485 -3.732 213 1HD LYS 28 HD2 LYS 28 7.095 -8.387 -4.330 214 2HD LYS 28 HD1 LYS 28 7.050 -8.952 -2.659 215 1HE LYS 28 HE2 LYS 28 6.474 -11.141 -3.276 216 2HE LYS 28 HE1 LYS 28 5.813 -10.627 -4.842 217 1HZ LYS 28 HZ1 LYS 28 8.670 -10.436 -4.042 218 2HZ LYS 28 HZ2 LYS 28 8.021 -9.979 -5.544 219 3HZ LYS 28 HZ3 LYS 28 8.029 -11.614 -5.081 220 H VAL 29 HN VAL 29 4.711 -7.235 0.409 221 HA VAL 29 HA VAL 29 3.117 -8.740 2.307 222 HB VAL 29 HB VAL 29 5.187 -6.522 2.419 223 1HG1 VAL 29 HG11 VAL 29 3.923 -7.900 4.813 224 2HG1 VAL 29 HG12 VAL 29 3.665 -6.212 4.361 225 3HG1 VAL 29 HG13 VAL 29 5.268 -6.759 4.864 226 1HG2 VAL 29 HG21 VAL 29 5.819 -8.885 1.829 227 2HG2 VAL 29 HG22 VAL 29 5.251 -9.380 3.424 228 3HG2 VAL 29 HG23 VAL 29 6.617 -8.274 3.278 229 H LEU 30 HN LEU 30 3.114 -5.369 1.142 230 HA LEU 30 HA LEU 30 1.195 -4.384 3.032 231 1HB LEU 30 HB2 LEU 30 2.140 -3.582 0.271 232 2HB LEU 30 HB1 LEU 30 0.901 -2.654 1.098 233 HG LEU 30 HG LEU 30 3.423 -1.943 1.305 234 1HD1 LEU 30 HD11 LEU 30 1.521 -2.117 3.641 235 2HD1 LEU 30 HD12 LEU 30 1.728 -0.773 2.515 236 3HD1 LEU 30 HD13 LEU 30 3.015 -1.171 3.662 237 1HD2 LEU 30 HD21 LEU 30 4.423 -2.865 3.424 238 2HD2 LEU 30 HD22 LEU 30 4.455 -3.944 2.047 239 3HD2 LEU 30 HD23 LEU 30 3.272 -4.182 3.329 240 H LYS 31 HN LYS 31 0.956 -6.060 -0.056 241 HA LYS 31 HA LYS 31 -1.869 -5.743 -0.548 242 1HB LYS 31 HB2 LYS 31 0.185 -6.806 -1.906 243 2HB LYS 31 HB1 LYS 31 -0.349 -8.272 -1.122 244 1HG LYS 31 HG2 LYS 31 -2.286 -6.490 -2.600 245 2HG LYS 31 HG1 LYS 31 -1.371 -7.747 -3.431 246 1HD LYS 31 HD2 LYS 31 -3.241 -8.169 -1.077 247 2HD LYS 31 HD1 LYS 31 -3.571 -8.608 -2.751 248 1HE LYS 31 HE2 LYS 31 -1.064 -9.777 -2.140 249 2HE LYS 31 HE1 LYS 31 -2.120 -10.117 -0.748 250 1HZ LYS 31 HZ1 LYS 31 -2.668 -10.663 -3.617 251 2HZ LYS 31 HZ2 LYS 31 -3.878 -10.705 -2.424 252 3HZ LYS 31 HZ3 LYS 31 -2.571 -11.788 -2.352 253 H GLN 32 HN GLN 32 0.068 -8.152 1.190 254 HA GLN 32 HA GLN 32 -1.984 -9.924 2.028 255 1HB GLN 32 HB2 GLN 32 0.725 -9.089 2.970 256 2HB GLN 32 HB1 GLN 32 -0.263 -10.082 4.043 257 1HG GLN 32 HG2 GLN 32 -0.562 -11.735 2.220 258 2HG GLN 32 HG1 GLN 32 0.477 -10.757 1.184 259 1HE2 GLN 32 HE21 GLN 32 2.700 -11.159 1.318 260 2HE2 GLN 32 HE22 GLN 32 3.444 -12.070 2.554 261 H TYR 33 HN TYR 33 -0.816 -6.874 3.428 262 HA TYR 33 HA TYR 33 -2.425 -6.911 5.834 263 1HB TYR 33 HB2 TYR 33 -0.472 -5.465 5.527 264 2HB TYR 33 HB1 TYR 33 -1.233 -4.678 4.144 265 HD1 TYR 33 HD1 TYR 33 -1.484 -5.233 7.794 266 HD2 TYR 33 HD2 TYR 33 -2.820 -2.920 4.435 267 HE1 TYR 33 HE1 TYR 33 -2.601 -3.660 9.330 268 HE2 TYR 33 HE2 TYR 33 -3.936 -1.332 5.975 269 HH TYR 33 HH TYR 33 -4.803 -1.892 8.882 270 H ILE 34 HN ILE 34 -2.921 -5.749 2.528 271 HA ILE 34 HA ILE 34 -5.487 -4.483 2.963 272 HB ILE 34 HB ILE 34 -4.139 -5.670 0.516 273 1HG1 ILE 34 HG12 ILE 34 -2.978 -3.816 1.906 274 2HG1 ILE 34 HG11 ILE 34 -3.124 -3.562 0.173 275 1HG2 ILE 34 HG21 ILE 34 -5.620 -3.979 -0.701 276 2HG2 ILE 34 HG22 ILE 34 -6.547 -3.867 0.795 277 3HG2 ILE 34 HG23 ILE 34 -6.432 -5.407 -0.057 278 1HD1 ILE 34 HD11 ILE 34 -3.720 -1.524 1.418 279 2HD1 ILE 34 HD12 ILE 34 -4.957 -2.416 2.305 280 3HD1 ILE 34 HD13 ILE 34 -5.128 -2.160 0.568 281 H ASN 35 HN ASN 35 -4.426 -7.768 2.237 282 HA ASN 35 HA ASN 35 -6.945 -8.885 1.433 283 1HB ASN 35 HB2 ASN 35 -4.329 -9.858 2.499 284 2HB ASN 35 HB1 ASN 35 -5.686 -10.981 2.439 285 1HD2 ASN 35 HD21 ASN 35 -5.021 -12.259 0.641 286 2HD2 ASN 35 HD22 ASN 35 -4.811 -11.625 -0.919 287 H ASP 36 HN ASP 36 -5.546 -8.169 4.578 288 HA ASP 36 HA ASP 36 -7.424 -9.766 6.129 289 1HB ASP 36 HB2 ASP 36 -5.025 -8.673 6.605 290 2HB ASP 36 HB1 ASP 36 -6.026 -7.362 7.231 291 H ASN 37 HN ASN 37 -7.275 -6.400 5.022 292 HA ASN 37 HA ASN 37 -9.672 -5.605 6.532 293 1HB ASN 37 HB2 ASN 37 -7.908 -4.303 4.433 294 2HB ASN 37 HB1 ASN 37 -9.259 -3.476 5.216 295 1HD2 ASN 37 HD21 ASN 37 -6.341 -2.837 5.451 296 2HD2 ASN 37 HD22 ASN 37 -5.978 -2.957 7.113 297 H GLY 38 HN GLY 38 -8.821 -6.518 3.218 298 1HA GLY 38 HA2 GLY 38 -10.330 -7.462 1.619 299 2HA GLY 38 HA1 GLY 38 -11.684 -6.919 2.611 300 H ILE 39 HN ILE 39 -9.017 -4.809 1.712 301 HA ILE 39 HA ILE 39 -10.939 -3.212 0.053 302 HB ILE 39 HB ILE 39 -8.470 -2.402 1.628 303 1HG1 ILE 39 HG12 ILE 39 -10.341 -3.064 3.088 304 2HG1 ILE 39 HG11 ILE 39 -10.101 -1.316 3.151 305 1HG2 ILE 39 HG21 ILE 39 -9.422 -0.077 1.222 306 2HG2 ILE 39 HG22 ILE 39 -10.488 -0.814 0.025 307 3HG2 ILE 39 HG23 ILE 39 -8.739 -0.873 -0.196 308 1HD1 ILE 39 HD11 ILE 39 -11.895 -1.196 1.289 309 2HD1 ILE 39 HD12 ILE 39 -12.445 -1.567 2.923 310 3HD1 ILE 39 HD13 ILE 39 -12.277 -2.859 1.734 311 H ASP 40 HN ASP 40 -10.184 -4.819 -1.700 312 HA ASP 40 HA ASP 40 -7.556 -3.959 -2.866 313 1HB ASP 40 HB2 ASP 40 -7.619 -6.205 -3.960 314 2HB ASP 40 HB1 ASP 40 -7.669 -6.320 -2.199 315 H GLY 41 HN GLY 41 -7.957 -2.487 -4.475 316 1HA GLY 41 HA2 GLY 41 -10.006 -3.177 -6.516 317 2HA GLY 41 HA1 GLY 41 -10.089 -1.584 -5.759 318 H GLU 42 HN GLU 42 -8.268 -0.116 -6.088 319 HA GLU 42 HA GLU 42 -6.508 -0.839 -8.403 320 1HB GLU 42 HB2 GLU 42 -8.684 1.085 -8.206 321 2HB GLU 42 HB1 GLU 42 -7.173 1.900 -8.604 322 1HG GLU 42 HG2 GLU 42 -7.624 1.287 -10.740 323 2HG GLU 42 HG1 GLU 42 -7.063 -0.309 -10.243 324 H TRP 43 HN TRP 43 -4.413 -0.545 -7.794 325 HA TRP 43 HA TRP 43 -3.777 1.313 -5.548 326 1HB TRP 43 HB2 TRP 43 -2.262 -0.870 -7.013 327 2HB TRP 43 HB1 TRP 43 -1.532 0.139 -5.779 328 HD1 TRP 43 HD1 TRP 43 -5.135 -1.160 -5.391 329 HE1 TRP 43 HE1 TRP 43 -5.173 -2.839 -3.450 330 HE3 TRP 43 HE3 TRP 43 -0.157 -1.435 -4.393 331 HZ2 TRP 43 HZ2 TRP 43 -3.336 -4.096 -1.666 332 HZ3 TRP 43 HZ3 TRP 43 0.675 -2.866 -2.540 333 HH2 TRP 43 HH2 TRP 43 -0.900 -4.192 -1.184 334 H THR 44 HN THR 44 -1.817 2.704 -5.856 335 HA THR 44 HA THR 44 -1.040 3.291 -8.655 336 HB THR 44 HB THR 44 -1.630 5.665 -8.406 337 HG1 THR 44 HG1 THR 44 -2.685 6.363 -6.579 338 1HG2 THR 44 HG21 THR 44 -3.317 3.930 -9.228 339 2HG2 THR 44 HG22 THR 44 -3.991 5.456 -8.657 340 3HG2 THR 44 HG23 THR 44 -4.047 4.027 -7.625 341 H TYR 45 HN TYR 45 1.114 3.736 -8.683 342 HA TYR 45 HA TYR 45 2.508 4.140 -6.084 343 1HB TYR 45 HB2 TYR 45 3.157 2.318 -7.650 344 2HB TYR 45 HB1 TYR 45 3.516 3.523 -8.884 345 HD1 TYR 45 HD1 TYR 45 5.804 3.799 -9.167 346 HD2 TYR 45 HD2 TYR 45 4.238 3.258 -5.204 347 HE1 TYR 45 HE1 TYR 45 8.079 4.094 -8.228 348 HE2 TYR 45 HE2 TYR 45 6.514 3.552 -4.265 349 HH TYR 45 HH TYR 45 8.777 4.902 -5.322 350 H ASP 46 HN ASP 46 4.229 5.834 -6.000 351 HA ASP 46 HA ASP 46 4.057 7.975 -8.063 352 1HB ASP 46 HB2 ASP 46 3.673 8.488 -5.093 353 2HB ASP 46 HB1 ASP 46 3.562 9.671 -6.391 354 H ASP 47 HN ASP 47 6.165 8.283 -8.602 355 HA ASP 47 HA ASP 47 8.419 7.528 -6.992 356 1HB ASP 47 HB2 ASP 47 8.128 7.967 -9.547 357 2HB ASP 47 HB1 ASP 47 8.451 9.652 -9.134 358 H ALA 48 HN ALA 48 6.360 10.307 -6.867 359 HA ALA 48 HA ALA 48 7.970 12.438 -6.048 360 1HB ALA 48 HB1 ALA 48 5.669 12.831 -6.276 361 2HB ALA 48 HB2 ALA 48 5.861 12.853 -4.522 362 3HB ALA 48 HB3 ALA 48 5.235 11.408 -5.324 363 H THR 49 HN THR 49 6.323 10.267 -3.731 364 HA THR 49 HA THR 49 8.717 10.439 -1.936 365 HB THR 49 HB THR 49 7.011 12.060 -1.229 366 HG1 THR 49 HG1 THR 49 6.658 11.204 0.854 367 1HG2 THR 49 HG21 THR 49 4.885 11.553 -1.826 368 2HG2 THR 49 HG22 THR 49 4.844 10.589 -0.351 369 3HG2 THR 49 HG23 THR 49 5.226 9.823 -1.894 370 H LYS 50 HN LYS 50 8.140 8.289 -3.658 371 HA LYS 50 HA LYS 50 7.585 5.997 -3.766 372 1HB LYS 50 HB2 LYS 50 8.823 4.787 -2.030 373 2HB LYS 50 HB1 LYS 50 9.735 6.195 -2.565 374 1HG LYS 50 HG2 LYS 50 9.211 7.417 -0.598 375 2HG LYS 50 HG1 LYS 50 7.921 6.300 -0.152 376 1HD LYS 50 HD2 LYS 50 9.611 5.554 1.250 377 2HD LYS 50 HD1 LYS 50 9.893 4.531 -0.158 378 1HE LYS 50 HE2 LYS 50 11.990 5.377 -0.310 379 2HE LYS 50 HE1 LYS 50 11.299 6.984 -0.607 380 1HZ LYS 50 HZ1 LYS 50 12.633 7.021 1.398 381 2HZ LYS 50 HZ2 LYS 50 11.744 5.730 2.054 382 3HZ LYS 50 HZ3 LYS 50 10.998 7.236 1.797 383 H THR 51 HN THR 51 5.231 7.311 -3.056 384 HA THR 51 HA THR 51 4.106 5.792 -0.749 385 HB THR 51 HB THR 51 3.055 8.089 -2.437 386 HG1 THR 51 HG1 THR 51 4.170 7.946 0.165 387 1HG2 THR 51 HG21 THR 51 1.492 8.280 -0.373 388 2HG2 THR 51 HG22 THR 51 1.934 6.599 -0.067 389 3HG2 THR 51 HG23 THR 51 1.129 7.040 -1.573 390 H TRP 52 HN TRP 52 1.860 4.896 -1.112 391 HA TRP 52 HA TRP 52 1.466 3.880 -3.906 392 1HB TRP 52 HB2 TRP 52 1.621 2.479 -1.244 393 2HB TRP 52 HB1 TRP 52 0.722 1.770 -2.580 394 HD1 TRP 52 HD1 TRP 52 4.219 2.389 -1.339 395 HE1 TRP 52 HE1 TRP 52 5.901 1.291 -2.963 396 HE3 TRP 52 HE3 TRP 52 1.068 1.165 -5.114 397 HZ2 TRP 52 HZ2 TRP 52 5.887 0.040 -5.548 398 HZ3 TRP 52 HZ3 TRP 52 1.900 0.014 -7.155 399 HH2 TRP 52 HH2 TRP 52 4.308 -0.549 -7.373 400 H THR 53 HN THR 53 -0.835 2.487 -3.590 401 HA THR 53 HA THR 53 -2.793 3.925 -1.939 402 HB THR 53 HB THR 53 -3.001 4.034 -4.961 403 HG1 THR 53 HG1 THR 53 -2.050 5.954 -3.107 404 1HG2 THR 53 HG21 THR 53 -5.149 4.334 -4.099 405 2HG2 THR 53 HG22 THR 53 -4.560 5.993 -4.198 406 3HG2 THR 53 HG23 THR 53 -4.560 5.149 -2.650 407 H VAL 54 HN VAL 54 -5.061 3.010 -2.422 408 HA VAL 54 HA VAL 54 -5.312 0.509 -3.878 409 HB VAL 54 HB VAL 54 -3.930 -0.328 -2.076 410 1HG1 VAL 54 HG11 VAL 54 -4.069 1.386 -0.449 411 2HG1 VAL 54 HG12 VAL 54 -4.762 -0.040 0.320 412 3HG1 VAL 54 HG13 VAL 54 -5.816 1.222 -0.311 413 1HG2 VAL 54 HG21 VAL 54 -6.576 -1.086 -0.929 414 2HG2 VAL 54 HG22 VAL 54 -5.227 -2.112 -1.424 415 3HG2 VAL 54 HG23 VAL 54 -6.319 -1.437 -2.638 416 H THR 55 HN THR 55 -7.057 2.178 -4.460 417 HA THR 55 HA THR 55 -9.226 2.621 -2.539 418 HB THR 55 HB THR 55 -9.257 2.985 -5.545 419 HG1 THR 55 HG1 THR 55 -8.016 4.709 -5.324 420 1HG2 THR 55 HG21 THR 55 -10.556 4.432 -3.221 421 2HG2 THR 55 HG22 THR 55 -11.366 3.418 -4.415 422 3HG2 THR 55 HG23 THR 55 -10.655 4.956 -4.902 423 H GLU 56 HN GLU 56 -10.855 1.172 -2.159 424 HA GLU 56 HA GLU 56 -11.057 -1.392 -3.395 425 1HB GLU 56 HB2 GLU 56 -12.033 -0.255 -1.184 426 2HB GLU 56 HB1 GLU 56 -13.452 -0.042 -2.209 427 1HG GLU 56 HG2 GLU 56 -12.065 -2.713 -2.023 428 2HG GLU 56 HG1 GLU 56 -13.272 -2.233 -0.829 Start of MODEL 35 1 1H THR 1 HT1 THR 1 13.826 6.033 5.685 2 2H THR 1 HT2 THR 1 12.985 5.134 6.857 3 3H THR 1 HT3 THR 1 13.133 6.819 7.019 4 HA THR 1 HA THR 1 10.921 6.345 6.249 5 HB THR 1 HB THR 1 11.222 7.561 3.985 6 HG1 THR 1 HG1 THR 1 13.232 6.929 3.407 7 1HG2 THR 1 HG21 THR 1 11.031 8.546 6.393 8 2HG2 THR 1 HG22 THR 1 11.600 9.593 5.092 9 3HG2 THR 1 HG23 THR 1 12.754 8.875 6.215 10 H THR 2 HN THR 2 10.828 3.913 6.135 11 HA THR 2 HA THR 2 11.625 2.541 3.692 12 HB THR 2 HB THR 2 11.493 1.454 5.897 13 HG1 THR 2 HG1 THR 2 11.150 -0.130 4.564 14 1HG2 THR 2 HG21 THR 2 9.800 2.175 7.220 15 2HG2 THR 2 HG22 THR 2 8.830 0.964 6.383 16 3HG2 THR 2 HG23 THR 2 8.800 2.642 5.844 17 H PHE 3 HN PHE 3 9.522 1.039 2.891 18 HA PHE 3 HA PHE 3 7.952 2.844 1.271 19 1HB PHE 3 HB2 PHE 3 7.528 -0.100 1.897 20 2HB PHE 3 HB1 PHE 3 6.931 0.762 0.482 21 HD1 PHE 3 HD1 PHE 3 9.204 2.374 -0.391 22 HD2 PHE 3 HD2 PHE 3 9.150 -1.630 1.181 23 HE1 PHE 3 HE1 PHE 3 11.326 1.871 -1.576 24 HE2 PHE 3 HE2 PHE 3 11.270 -2.122 -0.003 25 HZ PHE 3 HZ PHE 3 12.358 -0.372 -1.381 26 H LYS 4 HN LYS 4 5.726 3.378 1.463 27 HA LYS 4 HA LYS 4 4.325 2.539 3.975 28 1HB LYS 4 HB2 LYS 4 5.579 4.826 3.994 29 2HB LYS 4 HB1 LYS 4 4.293 5.367 2.924 30 1HG LYS 4 HG2 LYS 4 2.649 4.489 4.666 31 2HG LYS 4 HG1 LYS 4 4.029 4.338 5.748 32 1HD LYS 4 HD2 LYS 4 3.729 6.503 6.288 33 2HD LYS 4 HD1 LYS 4 4.298 6.902 4.668 34 1HE LYS 4 HE2 LYS 4 1.996 6.830 3.809 35 2HE LYS 4 HE1 LYS 4 1.399 6.351 5.410 36 1HZ LYS 4 HZ1 LYS 4 2.437 8.372 6.318 37 2HZ LYS 4 HZ2 LYS 4 1.222 8.730 5.185 38 3HZ LYS 4 HZ3 LYS 4 2.859 8.854 4.748 39 H LEU 5 HN LEU 5 2.013 2.570 3.782 40 HA LEU 5 HA LEU 5 0.816 3.380 1.188 41 1HB LEU 5 HB2 LEU 5 1.704 0.868 1.362 42 2HB LEU 5 HB1 LEU 5 0.205 0.637 2.249 43 HG LEU 5 HG LEU 5 -0.240 2.195 -0.179 44 1HD1 LEU 5 HD11 LEU 5 0.497 -0.669 -0.726 45 2HD1 LEU 5 HD12 LEU 5 1.755 0.572 -0.738 46 3HD1 LEU 5 HD13 LEU 5 0.388 0.691 -1.853 47 1HD2 LEU 5 HD21 LEU 5 -2.012 1.104 1.136 48 2HD2 LEU 5 HD22 LEU 5 -1.292 -0.473 0.816 49 3HD2 LEU 5 HD23 LEU 5 -1.984 0.466 -0.507 50 H ILE 6 HN ILE 6 -1.346 3.994 1.458 51 HA ILE 6 HA ILE 6 -2.438 3.795 4.243 52 HB ILE 6 HB ILE 6 -2.842 5.805 2.007 53 1HG1 ILE 6 HG12 ILE 6 -0.624 5.889 3.112 54 2HG1 ILE 6 HG11 ILE 6 -1.583 7.322 3.478 55 1HG2 ILE 6 HG21 ILE 6 -3.953 7.124 3.920 56 2HG2 ILE 6 HG22 ILE 6 -4.060 5.578 4.761 57 3HG2 ILE 6 HG23 ILE 6 -4.882 5.800 3.217 58 1HD1 ILE 6 HD11 ILE 6 -2.306 6.163 5.615 59 2HD1 ILE 6 HD12 ILE 6 -0.596 6.587 5.546 60 3HD1 ILE 6 HD13 ILE 6 -1.104 4.923 5.261 61 H ILE 7 HN ILE 7 -4.372 2.745 4.500 62 HA ILE 7 HA ILE 7 -5.641 1.467 2.172 63 HB ILE 7 HB ILE 7 -6.261 1.457 5.148 64 1HG1 ILE 7 HG12 ILE 7 -4.853 -0.669 3.516 65 2HG1 ILE 7 HG11 ILE 7 -3.975 0.599 4.372 66 1HG2 ILE 7 HG21 ILE 7 -7.174 -0.368 2.902 67 2HG2 ILE 7 HG22 ILE 7 -8.190 0.754 3.806 68 3HG2 ILE 7 HG23 ILE 7 -7.482 -0.643 4.617 69 1HD1 ILE 7 HD11 ILE 7 -5.553 -1.690 5.475 70 2HD1 ILE 7 HD12 ILE 7 -5.512 -0.187 6.396 71 3HD1 ILE 7 HD13 ILE 7 -4.010 -1.029 6.016 72 H ASN 8 HN ASN 8 -7.201 2.540 1.038 73 HA ASN 8 HA ASN 8 -8.888 4.563 2.476 74 1HB ASN 8 HB2 ASN 8 -7.751 4.326 -0.306 75 2HB ASN 8 HB1 ASN 8 -9.156 5.350 -0.007 76 1HD2 ASN 8 HD21 ASN 8 -7.680 7.210 -0.573 77 2HD2 ASN 8 HD22 ASN 8 -6.624 7.816 0.622 78 H GLY 9 HN GLY 9 -9.795 2.038 2.819 79 1HA GLY 9 HA2 GLY 9 -11.577 1.219 0.639 80 2HA GLY 9 HA1 GLY 9 -11.452 0.447 2.224 81 H LYS 10 HN LYS 10 -13.938 1.042 0.980 82 HA LYS 10 HA LYS 10 -15.190 3.455 1.704 83 1HB LYS 10 HB2 LYS 10 -16.219 0.608 1.556 84 2HB LYS 10 HB1 LYS 10 -17.266 2.026 1.637 85 1HG LYS 10 HG2 LYS 10 -16.450 2.860 -0.457 86 2HG LYS 10 HG1 LYS 10 -15.136 1.683 -0.486 87 1HD LYS 10 HD2 LYS 10 -16.503 -0.035 -1.161 88 2HD LYS 10 HD1 LYS 10 -17.901 0.597 -0.290 89 1HE LYS 10 HE2 LYS 10 -16.877 2.212 -2.592 90 2HE LYS 10 HE1 LYS 10 -17.784 0.730 -2.956 91 1HZ LYS 10 HZ1 LYS 10 -18.656 2.925 -1.150 92 2HZ LYS 10 HZ2 LYS 10 -19.499 1.469 -1.388 93 3HZ LYS 10 HZ3 LYS 10 -19.311 2.566 -2.672 94 H THR 11 HN THR 11 -14.339 0.685 3.685 95 HA THR 11 HA THR 11 -15.449 2.106 6.083 96 HB THR 11 HB THR 11 -15.427 -0.884 5.571 97 HG1 THR 11 HG1 THR 11 -17.555 0.979 5.359 98 1HG2 THR 11 HG21 THR 11 -16.644 0.900 7.686 99 2HG2 THR 11 HG22 THR 11 -15.510 -0.431 7.913 100 3HG2 THR 11 HG23 THR 11 -17.173 -0.763 7.428 101 H LEU 12 HN LEU 12 -13.146 -0.354 4.897 102 HA LEU 12 HA LEU 12 -11.577 -0.339 7.370 103 1HB LEU 12 HB2 LEU 12 -11.095 -1.454 4.586 104 2HB LEU 12 HB1 LEU 12 -10.122 -1.840 6.006 105 HG LEU 12 HG LEU 12 -13.063 -2.187 6.283 106 1HD1 LEU 12 HD11 LEU 12 -13.088 -3.301 4.263 107 2HD1 LEU 12 HD12 LEU 12 -12.510 -4.610 5.294 108 3HD1 LEU 12 HD13 LEU 12 -11.367 -3.677 4.329 109 1HD2 LEU 12 HD21 LEU 12 -12.431 -3.800 7.839 110 2HD2 LEU 12 HD22 LEU 12 -11.050 -2.706 7.924 111 3HD2 LEU 12 HD23 LEU 12 -10.941 -4.192 6.980 112 H LYS 13 HN LYS 13 -9.458 0.558 7.592 113 HA LYS 13 HA LYS 13 -8.222 2.116 5.442 114 1HB LYS 13 HB2 LYS 13 -10.033 3.282 7.473 115 2HB LYS 13 HB1 LYS 13 -8.508 4.140 7.265 116 1HG LYS 13 HG2 LYS 13 -9.241 5.052 5.343 117 2HG LYS 13 HG1 LYS 13 -9.531 3.452 4.663 118 1HD LYS 13 HD2 LYS 13 -11.685 4.299 4.619 119 2HD LYS 13 HD1 LYS 13 -11.685 3.559 6.220 120 1HE LYS 13 HE2 LYS 13 -10.672 6.001 6.847 121 2HE LYS 13 HE1 LYS 13 -11.716 6.434 5.478 122 1HZ LYS 13 HZ1 LYS 13 -12.495 4.855 7.871 123 2HZ LYS 13 HZ2 LYS 13 -13.486 5.086 6.511 124 3HZ LYS 13 HZ3 LYS 13 -13.034 6.412 7.471 125 H GLY 14 HN GLY 14 -6.439 3.621 6.695 126 1HA GLY 14 HA2 GLY 14 -5.109 3.550 8.880 127 2HA GLY 14 HA1 GLY 14 -5.121 1.799 8.667 128 H GLU 15 HN GLU 15 -2.675 2.941 8.857 129 HA GLU 15 HA GLU 15 -1.677 3.180 6.040 130 1HB GLU 15 HB2 GLU 15 0.227 4.372 7.127 131 2HB GLU 15 HB1 GLU 15 -1.319 5.139 7.477 132 1HG GLU 15 HG2 GLU 15 -1.239 4.601 9.697 133 2HG GLU 15 HG1 GLU 15 -0.476 3.040 9.397 134 H THR 16 HN THR 16 0.531 2.198 5.698 135 HA THR 16 HA THR 16 1.397 0.113 7.591 136 HB THR 16 HB THR 16 -0.511 -0.930 6.447 137 HG1 THR 16 HG1 THR 16 0.616 -2.714 5.635 138 1HG2 THR 16 HG21 THR 16 0.987 -0.070 3.964 139 2HG2 THR 16 HG22 THR 16 -0.685 0.276 4.408 140 3HG2 THR 16 HG23 THR 16 -0.221 -1.356 3.933 141 H THR 17 HN THR 17 3.492 -0.692 7.075 142 HA THR 17 HA THR 17 4.822 0.448 4.647 143 HB THR 17 HB THR 17 6.712 1.107 6.085 144 HG1 THR 17 HG1 THR 17 6.372 0.960 8.370 145 1HG2 THR 17 HG21 THR 17 4.235 2.370 5.961 146 2HG2 THR 17 HG22 THR 17 5.736 3.092 6.539 147 3HG2 THR 17 HG23 THR 17 4.613 2.360 7.684 148 H THR 18 HN THR 18 6.777 -0.763 4.051 149 HA THR 18 HA THR 18 7.163 -3.362 5.424 150 HB THR 18 HB THR 18 5.832 -2.811 2.854 151 HG1 THR 18 HG1 THR 18 6.245 -5.162 4.391 152 1HG2 THR 18 HG21 THR 18 8.051 -3.381 1.939 153 2HG2 THR 18 HG22 THR 18 6.850 -4.620 1.565 154 3HG2 THR 18 HG23 THR 18 8.036 -4.895 2.843 155 H GLU 19 HN GLU 19 9.284 -4.260 4.981 156 HA GLU 19 HA GLU 19 11.242 -2.257 3.915 157 1HB GLU 19 HB2 GLU 19 11.107 -3.373 6.369 158 2HB GLU 19 HB1 GLU 19 12.068 -4.608 5.554 159 1HG GLU 19 HG2 GLU 19 13.383 -2.469 4.653 160 2HG GLU 19 HG1 GLU 19 12.746 -1.758 6.137 161 H ALA 20 HN ALA 20 12.107 -2.804 1.952 162 HA ALA 20 HA ALA 20 12.757 -5.622 1.336 163 1HB ALA 20 HB1 ALA 20 10.613 -5.799 0.511 164 2HB ALA 20 HB2 ALA 20 11.361 -5.056 -0.903 165 3HB ALA 20 HB3 ALA 20 10.466 -4.060 0.246 166 H VAL 21 HN VAL 21 13.473 -5.578 -1.184 167 HA VAL 21 HA VAL 21 15.803 -3.911 -1.362 168 HB VAL 21 HB VAL 21 15.458 -6.118 -2.466 169 1HG1 VAL 21 HG11 VAL 21 13.730 -4.691 -4.478 170 2HG1 VAL 21 HG12 VAL 21 13.047 -5.600 -3.130 171 3HG1 VAL 21 HG13 VAL 21 14.033 -6.422 -4.340 172 1HG2 VAL 21 HG21 VAL 21 16.293 -3.679 -3.944 173 2HG2 VAL 21 HG22 VAL 21 16.120 -5.162 -4.882 174 3HG2 VAL 21 HG23 VAL 21 17.234 -5.108 -3.516 175 H ASP 22 HN ASP 22 12.584 -3.694 -2.786 176 HA ASP 22 HA ASP 22 12.957 -0.813 -3.350 177 1HB ASP 22 HB2 ASP 22 12.412 -3.002 -5.376 178 2HB ASP 22 HB1 ASP 22 12.282 -1.275 -5.744 179 H ALA 23 HN ALA 23 10.861 0.214 -3.826 180 HA ALA 23 HA ALA 23 8.670 -0.773 -2.275 181 1HB ALA 23 HB1 ALA 23 9.397 1.582 -3.440 182 2HB ALA 23 HB2 ALA 23 7.775 1.271 -2.823 183 3HB ALA 23 HB3 ALA 23 8.119 1.068 -4.541 184 H ALA 24 HN ALA 24 9.568 -1.258 -5.641 185 HA ALA 24 HA ALA 24 7.085 -2.143 -6.723 186 1HB ALA 24 HB1 ALA 24 8.742 -1.889 -8.317 187 2HB ALA 24 HB2 ALA 24 8.891 -3.628 -8.062 188 3HB ALA 24 HB3 ALA 24 10.000 -2.519 -7.254 189 H THR 25 HN THR 25 9.696 -4.014 -5.151 190 HA THR 25 HA THR 25 8.338 -6.555 -5.240 191 HB THR 25 HB THR 25 10.583 -5.378 -3.570 192 HG1 THR 25 HG1 THR 25 10.480 -7.207 -5.730 193 1HG2 THR 25 HG21 THR 25 9.727 -8.285 -3.717 194 2HG2 THR 25 HG22 THR 25 9.485 -7.232 -2.320 195 3HG2 THR 25 HG23 THR 25 11.120 -7.652 -2.839 196 H ALA 26 HN ALA 26 8.729 -4.131 -2.615 197 HA ALA 26 HA ALA 26 7.196 -5.492 -0.644 198 1HB ALA 26 HB1 ALA 26 8.539 -3.634 -0.001 199 2HB ALA 26 HB2 ALA 26 6.881 -3.060 0.200 200 3HB ALA 26 HB3 ALA 26 7.817 -2.588 -1.224 201 H GLU 27 HN GLU 27 6.157 -2.779 -2.727 202 HA GLU 27 HA GLU 27 3.491 -2.517 -2.163 203 1HB GLU 27 HB2 GLU 27 4.917 -1.341 -3.887 204 2HB GLU 27 HB1 GLU 27 4.630 -2.702 -4.970 205 1HG GLU 27 HG2 GLU 27 2.307 -1.294 -3.687 206 2HG GLU 27 HG1 GLU 27 3.071 -0.604 -5.117 207 H LYS 28 HN LYS 28 4.867 -5.206 -4.059 208 HA LYS 28 HA LYS 28 2.356 -6.333 -4.943 209 1HB LYS 28 HB2 LYS 28 5.035 -7.637 -4.302 210 2HB LYS 28 HB1 LYS 28 3.763 -8.352 -5.292 211 1HG LYS 28 HG2 LYS 28 4.133 -6.896 -7.065 212 2HG LYS 28 HG1 LYS 28 4.812 -5.641 -6.029 213 1HD LYS 28 HD2 LYS 28 6.771 -6.424 -6.963 214 2HD LYS 28 HD1 LYS 28 6.655 -7.534 -5.597 215 1HE LYS 28 HE2 LYS 28 5.685 -9.261 -6.983 216 2HE LYS 28 HE1 LYS 28 5.518 -8.139 -8.348 217 1HZ LYS 28 HZ1 LYS 28 8.093 -8.829 -7.033 218 2HZ LYS 28 HZ2 LYS 28 7.889 -7.844 -8.403 219 3HZ LYS 28 HZ3 LYS 28 7.551 -9.507 -8.491 220 H VAL 29 HN VAL 29 4.456 -6.955 -2.131 221 HA VAL 29 HA VAL 29 2.774 -8.927 -0.863 222 HB VAL 29 HB VAL 29 4.963 -7.009 -0.009 223 1HG1 VAL 29 HG11 VAL 29 3.611 -9.060 1.779 224 2HG1 VAL 29 HG12 VAL 29 3.470 -7.307 1.953 225 3HG1 VAL 29 HG13 VAL 29 5.030 -8.098 2.196 226 1HG2 VAL 29 HG21 VAL 29 5.966 -9.403 0.483 227 2HG2 VAL 29 HG22 VAL 29 5.924 -8.779 -1.166 228 3HG2 VAL 29 HG23 VAL 29 4.701 -9.930 -0.628 229 H LEU 30 HN LEU 30 2.915 -5.372 -0.757 230 HA LEU 30 HA LEU 30 1.083 -5.031 1.419 231 1HB LEU 30 HB2 LEU 30 2.027 -3.366 -0.924 232 2HB LEU 30 HB1 LEU 30 0.835 -2.728 0.198 233 HG LEU 30 HG LEU 30 3.390 -2.238 0.581 234 1HD1 LEU 30 HD11 LEU 30 1.766 -1.472 2.151 235 2HD1 LEU 30 HD12 LEU 30 3.024 -2.306 3.072 236 3HD1 LEU 30 HD13 LEU 30 1.481 -3.108 2.749 237 1HD2 LEU 30 HD21 LEU 30 4.335 -3.877 2.265 238 2HD2 LEU 30 HD22 LEU 30 4.356 -4.396 0.594 239 3HD2 LEU 30 HD23 LEU 30 3.147 -5.033 1.703 240 H LYS 31 HN LYS 31 0.681 -5.583 -2.030 241 HA LYS 31 HA LYS 31 -2.138 -4.981 -2.267 242 1HB LYS 31 HB2 LYS 31 -0.177 -5.605 -3.996 243 2HB LYS 31 HB1 LYS 31 -0.777 -7.225 -3.734 244 1HG LYS 31 HG2 LYS 31 -2.640 -4.953 -4.435 245 2HG LYS 31 HG1 LYS 31 -1.829 -5.903 -5.679 246 1HD LYS 31 HD2 LYS 31 -3.659 -6.997 -3.517 247 2HD LYS 31 HD1 LYS 31 -4.061 -6.830 -5.225 248 1HE LYS 31 HE2 LYS 31 -1.621 -8.259 -5.167 249 2HE LYS 31 HE1 LYS 31 -2.642 -8.990 -3.906 250 1HZ LYS 31 HZ1 LYS 31 -3.190 -9.983 -6.017 251 2HZ LYS 31 HZ2 LYS 31 -3.419 -8.458 -6.731 252 3HZ LYS 31 HZ3 LYS 31 -4.486 -9.006 -5.528 253 H GLN 32 HN GLN 32 -0.282 -7.916 -1.544 254 HA GLN 32 HA GLN 32 -2.384 -9.795 -1.264 255 1HB GLN 32 HB2 GLN 32 0.389 -9.408 -0.276 256 2HB GLN 32 HB1 GLN 32 -0.593 -10.604 0.570 257 1HG GLN 32 HG2 GLN 32 -1.198 -11.349 -1.911 258 2HG GLN 32 HG1 GLN 32 0.362 -10.602 -2.260 259 1HE2 GLN 32 HE21 GLN 32 2.238 -11.396 -0.823 260 2HE2 GLN 32 HE22 GLN 32 2.217 -13.032 -0.339 261 H TYR 33 HN TYR 33 -1.034 -7.474 1.064 262 HA TYR 33 HA TYR 33 -2.576 -8.248 3.372 263 1HB TYR 33 HB2 TYR 33 -0.589 -6.816 3.457 264 2HB TYR 33 HB1 TYR 33 -1.385 -5.601 2.456 265 HD1 TYR 33 HD1 TYR 33 -1.519 -7.353 5.716 266 HD2 TYR 33 HD2 TYR 33 -2.864 -3.997 3.407 267 HE1 TYR 33 HE1 TYR 33 -2.509 -6.363 7.747 268 HE2 TYR 33 HE2 TYR 33 -3.853 -2.993 5.445 269 HH TYR 33 HH TYR 33 -4.521 -4.616 8.156 270 H ILE 34 HN ILE 34 -3.147 -5.984 0.705 271 HA ILE 34 HA ILE 34 -5.658 -4.913 1.642 272 HB ILE 34 HB ILE 34 -4.460 -5.241 -1.127 273 1HG1 ILE 34 HG12 ILE 34 -3.154 -3.991 0.730 274 2HG1 ILE 34 HG11 ILE 34 -3.374 -3.168 -0.807 275 1HG2 ILE 34 HG21 ILE 34 -6.725 -3.493 -0.139 276 2HG2 ILE 34 HG22 ILE 34 -6.805 -4.755 -1.369 277 3HG2 ILE 34 HG23 ILE 34 -5.918 -3.265 -1.691 278 1HD1 ILE 34 HD11 ILE 34 -5.377 -2.765 1.398 279 2HD1 ILE 34 HD12 ILE 34 -4.946 -1.682 0.074 280 3HD1 ILE 34 HD13 ILE 34 -3.846 -1.888 1.438 281 H ASN 35 HN ASN 35 -4.731 -7.818 -0.110 282 HA ASN 35 HA ASN 35 -7.213 -8.576 -1.268 283 1HB ASN 35 HB2 ASN 35 -4.880 -9.564 -1.544 284 2HB ASN 35 HB1 ASN 35 -5.148 -10.406 -0.018 285 1HD2 ASN 35 HD21 ASN 35 -5.618 -12.550 -0.565 286 2HD2 ASN 35 HD22 ASN 35 -6.740 -13.021 -1.748 287 H ASP 36 HN ASP 36 -6.059 -8.764 2.051 288 HA ASP 36 HA ASP 36 -8.134 -10.590 2.990 289 1HB ASP 36 HB2 ASP 36 -6.101 -8.742 4.258 290 2HB ASP 36 HB1 ASP 36 -7.225 -9.692 5.231 291 H ASN 37 HN ASN 37 -7.589 -7.062 3.223 292 HA ASN 37 HA ASN 37 -10.072 -6.511 4.615 293 1HB ASN 37 HB2 ASN 37 -8.138 -4.829 2.987 294 2HB ASN 37 HB1 ASN 37 -9.464 -4.153 3.939 295 1HD2 ASN 37 HD21 ASN 37 -8.282 -3.161 5.637 296 2HD2 ASN 37 HD22 ASN 37 -7.245 -4.018 6.686 297 H GLY 38 HN GLY 38 -9.139 -6.778 1.231 298 1HA GLY 38 HA2 GLY 38 -10.564 -7.050 -0.641 299 2HA GLY 38 HA1 GLY 38 -11.952 -6.792 0.417 300 H ILE 39 HN ILE 39 -9.182 -4.616 0.154 301 HA ILE 39 HA ILE 39 -11.028 -2.537 -0.978 302 HB ILE 39 HB ILE 39 -8.622 -2.294 0.862 303 1HG1 ILE 39 HG12 ILE 39 -10.581 -3.306 1.973 304 2HG1 ILE 39 HG11 ILE 39 -10.299 -1.670 2.575 305 1HG2 ILE 39 HG21 ILE 39 -8.800 -0.295 -0.466 306 2HG2 ILE 39 HG22 ILE 39 -9.484 0.074 1.117 307 3HG2 ILE 39 HG23 ILE 39 -10.550 -0.241 -0.252 308 1HD1 ILE 39 HD11 ILE 39 -12.602 -2.748 1.107 309 2HD1 ILE 39 HD12 ILE 39 -11.989 -1.244 0.420 310 3HD1 ILE 39 HD13 ILE 39 -12.487 -1.302 2.110 311 H ASP 40 HN ASP 40 -10.242 -3.520 -3.114 312 HA ASP 40 HA ASP 40 -7.555 -2.411 -3.866 313 1HB ASP 40 HB2 ASP 40 -7.540 -4.259 -5.543 314 2HB ASP 40 HB1 ASP 40 -7.674 -4.867 -3.890 315 H GLY 41 HN GLY 41 -7.872 -0.569 -5.055 316 1HA GLY 41 HA2 GLY 41 -9.834 -0.654 -7.281 317 2HA GLY 41 HA1 GLY 41 -9.982 0.660 -6.110 318 H GLU 42 HN GLU 42 -8.192 2.182 -5.935 319 HA GLU 42 HA GLU 42 -6.332 2.163 -8.287 320 1HB GLU 42 HB2 GLU 42 -8.496 3.987 -7.533 321 2HB GLU 42 HB1 GLU 42 -6.964 4.833 -7.744 322 1HG GLU 42 HG2 GLU 42 -6.856 4.377 -9.986 323 2HG GLU 42 HG1 GLU 42 -7.648 2.809 -9.813 324 H TRP 43 HN TRP 43 -4.271 2.185 -7.510 325 HA TRP 43 HA TRP 43 -3.719 3.326 -4.810 326 1HB TRP 43 HB2 TRP 43 -2.143 1.628 -6.773 327 2HB TRP 43 HB1 TRP 43 -1.483 2.212 -5.257 328 HD1 TRP 43 HD1 TRP 43 -5.112 0.948 -5.438 329 HE1 TRP 43 HE1 TRP 43 -5.269 -1.234 -4.101 330 HE3 TRP 43 HE3 TRP 43 -0.191 0.238 -4.363 331 HZ2 TRP 43 HZ2 TRP 43 -3.544 -3.027 -2.712 332 HZ3 TRP 43 HZ3 TRP 43 0.525 -1.712 -3.000 333 HH2 TRP 43 HH2 TRP 43 -1.136 -3.337 -2.177 334 H THR 44 HN THR 44 -1.653 4.640 -4.662 335 HA THR 44 HA THR 44 -0.825 6.029 -7.144 336 HB THR 44 HB THR 44 -1.321 8.233 -6.169 337 HG1 THR 44 HG1 THR 44 -2.629 8.222 -4.237 338 1HG2 THR 44 HG21 THR 44 -3.063 6.891 -7.487 339 2HG2 THR 44 HG22 THR 44 -3.676 8.215 -6.496 340 3HG2 THR 44 HG23 THR 44 -3.818 6.551 -5.930 341 H TYR 45 HN TYR 45 1.345 6.378 -7.038 342 HA TYR 45 HA TYR 45 2.761 5.792 -4.506 343 1HB TYR 45 HB2 TYR 45 3.436 4.750 -6.631 344 2HB TYR 45 HB1 TYR 45 3.670 6.339 -7.356 345 HD1 TYR 45 HD1 TYR 45 4.670 4.677 -4.134 346 HD2 TYR 45 HD2 TYR 45 5.899 6.948 -7.565 347 HE1 TYR 45 HE1 TYR 45 6.990 4.737 -3.263 348 HE2 TYR 45 HE2 TYR 45 8.219 7.010 -6.694 349 HH TYR 45 HH TYR 45 9.499 5.121 -4.743 350 H ASP 46 HN ASP 46 4.502 7.308 -3.780 351 HA ASP 46 HA ASP 46 4.157 10.141 -4.675 352 1HB ASP 46 HB2 ASP 46 4.215 9.190 -1.787 353 2HB ASP 46 HB1 ASP 46 4.005 10.849 -2.337 354 H ASP 47 HN ASP 47 6.130 11.104 -4.961 355 HA ASP 47 HA ASP 47 8.591 9.638 -4.421 356 1HB ASP 47 HB2 ASP 47 8.176 11.095 -6.390 357 2HB ASP 47 HB1 ASP 47 8.086 12.493 -5.319 358 H ALA 48 HN ALA 48 6.636 11.512 -2.397 359 HA ALA 48 HA ALA 48 8.441 13.161 -0.953 360 1HB ALA 48 HB1 ALA 48 5.847 11.744 -0.467 361 2HB ALA 48 HB2 ALA 48 6.203 13.473 -0.420 362 3HB ALA 48 HB3 ALA 48 6.675 12.440 0.929 363 H THR 49 HN THR 49 7.170 10.097 0.347 364 HA THR 49 HA THR 49 9.927 9.367 1.268 365 HB THR 49 HB THR 49 8.620 10.480 3.064 366 HG1 THR 49 HG1 THR 49 9.448 9.080 4.367 367 1HG2 THR 49 HG21 THR 49 6.559 9.339 3.900 368 2HG2 THR 49 HG22 THR 49 6.641 8.254 2.509 369 3HG2 THR 49 HG23 THR 49 6.370 9.980 2.266 370 H LYS 50 HN LYS 50 8.472 8.366 -1.015 371 HA LYS 50 HA LYS 50 7.863 6.334 -2.014 372 1HB LYS 50 HB2 LYS 50 9.106 5.197 0.513 373 2HB LYS 50 HB1 LYS 50 8.864 4.335 -1.003 374 1HG LYS 50 HG2 LYS 50 10.247 6.407 -1.971 375 2HG LYS 50 HG1 LYS 50 10.871 6.437 -0.321 376 1HD LYS 50 HD2 LYS 50 12.004 4.474 -0.573 377 2HD LYS 50 HD1 LYS 50 10.731 3.753 -1.558 378 1HE LYS 50 HE2 LYS 50 11.714 4.406 -3.509 379 2HE LYS 50 HE1 LYS 50 12.147 6.001 -2.861 380 1HZ LYS 50 HZ1 LYS 50 14.145 4.723 -3.150 381 2HZ LYS 50 HZ2 LYS 50 13.498 3.419 -2.274 382 3HZ LYS 50 HZ3 LYS 50 13.847 4.884 -1.488 383 H THR 51 HN THR 51 5.766 7.591 -0.750 384 HA THR 51 HA THR 51 4.393 5.616 0.984 385 HB THR 51 HB THR 51 3.548 8.332 -0.083 386 HG1 THR 51 HG1 THR 51 4.789 9.096 1.402 387 1HG2 THR 51 HG21 THR 51 2.376 6.377 1.867 388 2HG2 THR 51 HG22 THR 51 1.566 7.362 0.648 389 3HG2 THR 51 HG23 THR 51 2.143 8.105 2.139 390 H TRP 52 HN TRP 52 2.062 5.110 0.380 391 HA TRP 52 HA TRP 52 1.626 4.974 -2.575 392 1HB TRP 52 HB2 TRP 52 1.744 2.801 -0.493 393 2HB TRP 52 HB1 TRP 52 0.804 2.589 -1.966 394 HD1 TRP 52 HD1 TRP 52 4.343 2.657 -0.675 395 HE1 TRP 52 HE1 TRP 52 5.957 2.073 -2.603 396 HE3 TRP 52 HE3 TRP 52 1.094 2.792 -4.559 397 HZ2 TRP 52 HZ2 TRP 52 5.860 1.707 -5.450 398 HZ3 TRP 52 HZ3 TRP 52 1.853 2.322 -6.882 399 HH2 TRP 52 HH2 TRP 52 4.234 1.778 -7.327 400 H THR 53 HN THR 53 -0.730 3.667 -2.666 401 HA THR 53 HA THR 53 -2.602 4.581 -0.594 402 HB THR 53 HB THR 53 -2.819 5.667 -3.416 403 HG1 THR 53 HG1 THR 53 -1.184 6.825 -2.712 404 1HG2 THR 53 HG21 THR 53 -4.307 6.068 -0.835 405 2HG2 THR 53 HG22 THR 53 -4.949 5.749 -2.446 406 3HG2 THR 53 HG23 THR 53 -4.289 7.338 -2.059 407 H VAL 54 HN VAL 54 -4.918 3.979 -1.306 408 HA VAL 54 HA VAL 54 -5.303 2.080 -3.468 409 HB VAL 54 HB VAL 54 -3.962 0.646 -2.053 410 1HG1 VAL 54 HG11 VAL 54 -5.487 1.991 0.086 411 2HG1 VAL 54 HG12 VAL 54 -3.829 1.397 0.082 412 3HG1 VAL 54 HG13 VAL 54 -5.162 0.280 0.360 413 1HG2 VAL 54 HG21 VAL 54 -6.665 -0.266 -1.157 414 2HG2 VAL 54 HG22 VAL 54 -5.362 -1.188 -1.912 415 3HG2 VAL 54 HG23 VAL 54 -6.383 -0.129 -2.893 416 H THR 55 HN THR 55 -7.109 3.549 -3.750 417 HA THR 55 HA THR 55 -9.180 3.652 -1.630 418 HB THR 55 HB THR 55 -9.245 4.840 -4.412 419 HG1 THR 55 HG1 THR 55 -7.940 6.409 -3.750 420 1HG2 THR 55 HG21 THR 55 -11.307 5.076 -3.196 421 2HG2 THR 55 HG22 THR 55 -10.489 6.638 -3.135 422 3HG2 THR 55 HG23 THR 55 -10.453 5.567 -1.733 423 H GLU 56 HN GLU 56 -11.044 2.433 -1.720 424 HA GLU 56 HA GLU 56 -11.317 0.187 -3.463 425 1HB GLU 56 HB2 GLU 56 -12.391 0.889 -1.147 426 2HB GLU 56 HB1 GLU 56 -13.675 1.530 -2.173 427 1HG GLU 56 HG2 GLU 56 -12.632 -1.284 -2.513 428 2HG GLU 56 HG1 GLU 56 -13.929 -0.906 -1.378 Start of MODEL 36 1 1H THR 1 HT1 THR 1 14.891 4.640 5.845 2 2H THR 1 HT2 THR 1 14.066 3.311 6.510 3 3H THR 1 HT3 THR 1 13.197 4.652 5.932 4 HA THR 1 HA THR 1 13.781 4.174 3.678 5 HB THR 1 HB THR 1 16.095 3.548 4.219 6 HG1 THR 1 HG1 THR 1 16.213 1.721 2.835 7 1HG2 THR 1 HG21 THR 1 16.305 2.210 6.041 8 2HG2 THR 1 HG22 THR 1 16.093 0.889 4.892 9 3HG2 THR 1 HG23 THR 1 14.712 1.488 5.811 10 H THR 2 HN THR 2 11.485 3.676 4.996 11 HA THR 2 HA THR 2 10.865 0.791 4.435 12 HB THR 2 HB THR 2 9.448 2.622 6.385 13 HG1 THR 2 HG1 THR 2 11.494 2.547 7.146 14 1HG2 THR 2 HG21 THR 2 9.739 -0.388 6.374 15 2HG2 THR 2 HG22 THR 2 8.404 0.448 5.581 16 3HG2 THR 2 HG23 THR 2 8.617 0.583 7.327 17 H PHE 3 HN PHE 3 9.432 0.542 2.778 18 HA PHE 3 HA PHE 3 8.258 2.652 1.283 19 1HB PHE 3 HB2 PHE 3 7.391 -0.241 1.641 20 2HB PHE 3 HB1 PHE 3 6.918 0.801 0.298 21 HD1 PHE 3 HD1 PHE 3 9.207 2.187 -0.583 22 HD2 PHE 3 HD2 PHE 3 9.013 -1.803 1.007 23 HE1 PHE 3 HE1 PHE 3 11.307 1.610 -1.769 24 HE2 PHE 3 HE2 PHE 3 11.112 -2.375 -0.180 25 HZ PHE 3 HZ PHE 3 12.259 -0.670 -1.567 26 H LYS 4 HN LYS 4 5.858 3.091 1.074 27 HA LYS 4 HA LYS 4 4.332 2.683 3.617 28 1HB LYS 4 HB2 LYS 4 5.624 4.888 3.489 29 2HB LYS 4 HB1 LYS 4 4.562 5.324 2.159 30 1HG LYS 4 HG2 LYS 4 2.594 5.012 3.610 31 2HG LYS 4 HG1 LYS 4 3.653 4.586 4.952 32 1HD LYS 4 HD2 LYS 4 4.259 6.746 5.333 33 2HD LYS 4 HD1 LYS 4 4.333 7.131 3.614 34 1HE LYS 4 HE2 LYS 4 2.195 7.927 3.592 35 2HE LYS 4 HE1 LYS 4 1.597 6.593 4.599 36 1HZ LYS 4 HZ1 LYS 4 2.781 7.637 6.494 37 2HZ LYS 4 HZ2 LYS 4 1.510 8.589 5.890 38 3HZ LYS 4 HZ3 LYS 4 3.119 8.977 5.510 39 H LEU 5 HN LEU 5 2.032 2.843 3.333 40 HA LEU 5 HA LEU 5 0.943 3.309 0.622 41 1HB LEU 5 HB2 LEU 5 1.741 0.812 1.137 42 2HB LEU 5 HB1 LEU 5 0.196 0.743 1.974 43 HG LEU 5 HG LEU 5 -0.069 2.028 -0.637 44 1HD1 LEU 5 HD11 LEU 5 0.565 -0.907 -0.801 45 2HD1 LEU 5 HD12 LEU 5 1.863 0.286 -0.927 46 3HD1 LEU 5 HD13 LEU 5 0.532 0.303 -2.091 47 1HD2 LEU 5 HD21 LEU 5 -1.301 -0.436 0.639 48 2HD2 LEU 5 HD22 LEU 5 -1.874 0.327 -0.845 49 3HD2 LEU 5 HD23 LEU 5 -1.957 1.202 0.685 50 H ILE 6 HN ILE 6 -1.085 4.207 0.802 51 HA ILE 6 HA ILE 6 -2.309 4.306 3.530 52 HB ILE 6 HB ILE 6 -2.525 6.048 1.059 53 1HG1 ILE 6 HG12 ILE 6 -0.370 6.172 2.275 54 2HG1 ILE 6 HG11 ILE 6 -1.277 7.677 2.415 55 1HG2 ILE 6 HG21 ILE 6 -3.918 6.178 3.733 56 2HG2 ILE 6 HG22 ILE 6 -4.622 6.304 2.121 57 3HG2 ILE 6 HG23 ILE 6 -3.658 7.632 2.767 58 1HD1 ILE 6 HD11 ILE 6 -0.410 5.850 4.506 59 2HD1 ILE 6 HD12 ILE 6 -2.151 6.121 4.579 60 3HD1 ILE 6 HD13 ILE 6 -1.042 7.489 4.652 61 H ILE 7 HN ILE 7 -4.295 3.363 3.835 62 HA ILE 7 HA ILE 7 -5.558 1.917 1.596 63 HB ILE 7 HB ILE 7 -6.231 2.164 4.549 64 1HG1 ILE 7 HG12 ILE 7 -4.847 -0.122 3.123 65 2HG1 ILE 7 HG11 ILE 7 -3.956 1.184 3.906 66 1HG2 ILE 7 HG21 ILE 7 -8.187 1.326 3.581 67 2HG2 ILE 7 HG22 ILE 7 -7.299 -0.158 3.931 68 3HG2 ILE 7 HG23 ILE 7 -7.312 0.497 2.293 69 1HD1 ILE 7 HD11 ILE 7 -5.562 -1.009 5.122 70 2HD1 ILE 7 HD12 ILE 7 -5.631 0.564 5.915 71 3HD1 ILE 7 HD13 ILE 7 -4.080 -0.247 5.700 72 H ASN 8 HN ASN 8 -6.877 3.149 0.297 73 HA ASN 8 HA ASN 8 -8.521 5.316 1.525 74 1HB ASN 8 HB2 ASN 8 -7.479 4.613 -1.206 75 2HB ASN 8 HB1 ASN 8 -8.889 5.663 -1.075 76 1HD2 ASN 8 HD21 ASN 8 -6.892 7.027 -2.154 77 2HD2 ASN 8 HD22 ASN 8 -6.056 8.003 -1.032 78 H GLY 9 HN GLY 9 -9.472 2.874 2.262 79 1HA GLY 9 HA2 GLY 9 -11.456 1.905 0.323 80 2HA GLY 9 HA1 GLY 9 -11.202 1.270 1.954 81 H LYS 10 HN LYS 10 -13.662 2.272 0.439 82 HA LYS 10 HA LYS 10 -14.658 4.686 1.491 83 1HB LYS 10 HB2 LYS 10 -16.076 2.090 0.823 84 2HB LYS 10 HB1 LYS 10 -16.864 3.662 0.963 85 1HG LYS 10 HG2 LYS 10 -15.113 4.445 -0.796 86 2HG LYS 10 HG1 LYS 10 -14.893 2.723 -1.115 87 1HD LYS 10 HD2 LYS 10 -17.176 2.448 -1.753 88 2HD LYS 10 HD1 LYS 10 -17.621 4.028 -1.107 89 1HE LYS 10 HE2 LYS 10 -15.679 4.752 -2.888 90 2HE LYS 10 HE1 LYS 10 -16.389 3.349 -3.712 91 1HZ LYS 10 HZ1 LYS 10 -18.605 4.308 -3.183 92 2HZ LYS 10 HZ2 LYS 10 -17.697 5.248 -4.268 93 3HZ LYS 10 HZ3 LYS 10 -17.830 5.715 -2.640 94 H THR 11 HN THR 11 -14.517 1.467 2.948 95 HA THR 11 HA THR 11 -15.807 2.558 5.427 96 HB THR 11 HB THR 11 -15.446 -0.340 4.642 97 HG1 THR 11 HG1 THR 11 -16.681 0.252 3.024 98 1HG2 THR 11 HG21 THR 11 -17.540 -0.518 6.061 99 2HG2 THR 11 HG22 THR 11 -17.292 1.172 6.501 100 3HG2 THR 11 HG23 THR 11 -16.085 -0.039 6.935 101 H LEU 12 HN LEU 12 -12.990 0.908 4.107 102 HA LEU 12 HA LEU 12 -11.770 0.801 6.845 103 1HB LEU 12 HB2 LEU 12 -11.258 -0.715 4.267 104 2HB LEU 12 HB1 LEU 12 -10.276 -0.897 5.721 105 HG LEU 12 HG LEU 12 -13.263 -1.204 5.881 106 1HD1 LEU 12 HD11 LEU 12 -13.153 -3.501 5.288 107 2HD1 LEU 12 HD12 LEU 12 -11.390 -3.510 5.329 108 3HD1 LEU 12 HD13 LEU 12 -12.238 -2.672 4.029 109 1HD2 LEU 12 HD21 LEU 12 -10.841 -2.107 7.441 110 2HD2 LEU 12 HD22 LEU 12 -12.407 -2.889 7.658 111 3HD2 LEU 12 HD23 LEU 12 -12.224 -1.169 8.007 112 H LYS 13 HN LYS 13 -9.953 2.036 7.216 113 HA LYS 13 HA LYS 13 -8.442 3.150 4.900 114 1HB LYS 13 HB2 LYS 13 -9.907 4.644 7.082 115 2HB LYS 13 HB1 LYS 13 -8.590 5.391 6.177 116 1HG LYS 13 HG2 LYS 13 -9.773 5.007 4.071 117 2HG LYS 13 HG1 LYS 13 -11.067 4.167 4.927 118 1HD LYS 13 HD2 LYS 13 -11.058 6.470 6.325 119 2HD LYS 13 HD1 LYS 13 -10.478 7.079 4.775 120 1HE LYS 13 HE2 LYS 13 -12.499 6.750 3.754 121 2HE LYS 13 HE1 LYS 13 -12.779 5.214 4.600 122 1HZ LYS 13 HZ1 LYS 13 -12.948 7.917 5.827 123 2HZ LYS 13 HZ2 LYS 13 -13.206 6.444 6.633 124 3HZ LYS 13 HZ3 LYS 13 -14.275 6.946 5.412 125 H GLY 14 HN GLY 14 -6.508 4.517 5.931 126 1HA GLY 14 HA2 GLY 14 -5.223 4.581 8.175 127 2HA GLY 14 HA1 GLY 14 -5.333 2.823 8.088 128 H GLU 15 HN GLU 15 -2.828 3.797 8.217 129 HA GLU 15 HA GLU 15 -1.806 3.739 5.395 130 1HB GLU 15 HB2 GLU 15 0.118 5.004 6.345 131 2HB GLU 15 HB1 GLU 15 -1.410 5.842 6.615 132 1HG GLU 15 HG2 GLU 15 -1.501 5.118 8.905 133 2HG GLU 15 HG1 GLU 15 -0.158 3.999 8.667 134 H THR 16 HN THR 16 0.460 2.727 5.274 135 HA THR 16 HA THR 16 1.195 0.820 7.384 136 HB THR 16 HB THR 16 -0.717 -0.294 6.317 137 HG1 THR 16 HG1 THR 16 1.704 -1.451 5.414 138 1HG2 THR 16 HG21 THR 16 -0.446 -0.987 3.885 139 2HG2 THR 16 HG22 THR 16 0.868 0.186 3.779 140 3HG2 THR 16 HG23 THR 16 -0.771 0.725 4.150 141 H THR 17 HN THR 17 3.314 0.052 7.094 142 HA THR 17 HA THR 17 4.709 0.811 4.551 143 HB THR 17 HB THR 17 6.629 1.461 6.072 144 HG1 THR 17 HG1 THR 17 6.392 1.191 8.130 145 1HG2 THR 17 HG21 THR 17 5.492 3.316 5.232 146 2HG2 THR 17 HG22 THR 17 5.323 3.553 6.971 147 3HG2 THR 17 HG23 THR 17 3.985 2.883 6.038 148 H THR 18 HN THR 18 6.645 -0.510 4.144 149 HA THR 18 HA THR 18 6.902 -2.952 5.818 150 HB THR 18 HB THR 18 5.688 -2.657 3.160 151 HG1 THR 18 HG1 THR 18 4.740 -3.823 4.784 152 1HG2 THR 18 HG21 THR 18 6.745 -4.603 2.094 153 2HG2 THR 18 HG22 THR 18 7.913 -4.708 3.412 154 3HG2 THR 18 HG23 THR 18 7.914 -3.305 2.342 155 H GLU 19 HN GLU 19 8.939 -4.175 5.118 156 HA GLU 19 HA GLU 19 11.057 -2.279 4.150 157 1HB GLU 19 HB2 GLU 19 11.099 -2.719 6.596 158 2HB GLU 19 HB1 GLU 19 11.194 -4.451 6.272 159 1HG GLU 19 HG2 GLU 19 13.392 -4.350 5.637 160 2HG GLU 19 HG1 GLU 19 13.212 -2.758 4.899 161 H ALA 20 HN ALA 20 11.823 -3.033 2.208 162 HA ALA 20 HA ALA 20 12.445 -5.915 1.900 163 1HB ALA 20 HB1 ALA 20 11.096 -5.687 -0.359 164 2HB ALA 20 HB2 ALA 20 10.277 -4.380 0.498 165 3HB ALA 20 HB3 ALA 20 10.236 -6.021 1.145 166 H VAL 21 HN VAL 21 13.231 -6.165 -0.563 167 HA VAL 21 HA VAL 21 15.589 -4.573 -0.891 168 HB VAL 21 HB VAL 21 15.206 -6.873 -1.763 169 1HG1 VAL 21 HG11 VAL 21 12.811 -6.365 -2.500 170 2HG1 VAL 21 HG12 VAL 21 13.782 -7.347 -3.598 171 3HG1 VAL 21 HG13 VAL 21 13.530 -5.635 -3.936 172 1HG2 VAL 21 HG21 VAL 21 17.018 -5.767 -2.802 173 2HG2 VAL 21 HG22 VAL 21 15.947 -4.683 -3.690 174 3HG2 VAL 21 HG23 VAL 21 16.057 -6.383 -4.147 175 H ASP 22 HN ASP 22 12.391 -4.425 -2.364 176 HA ASP 22 HA ASP 22 12.854 -1.634 -3.239 177 1HB ASP 22 HB2 ASP 22 12.243 -4.019 -5.009 178 2HB ASP 22 HB1 ASP 22 12.169 -2.341 -5.569 179 H ALA 23 HN ALA 23 10.782 -0.625 -3.899 180 HA ALA 23 HA ALA 23 8.567 -1.340 -2.228 181 1HB ALA 23 HB1 ALA 23 8.164 0.805 -2.836 182 2HB ALA 23 HB2 ALA 23 7.647 0.215 -4.415 183 3HB ALA 23 HB3 ALA 23 9.325 0.687 -4.157 184 H ALA 24 HN ALA 24 9.433 -2.230 -5.523 185 HA ALA 24 HA ALA 24 6.938 -3.203 -6.482 186 1HB ALA 24 HB1 ALA 24 9.755 -4.262 -6.907 187 2HB ALA 24 HB2 ALA 24 9.019 -2.933 -7.803 188 3HB ALA 24 HB3 ALA 24 8.378 -4.568 -7.965 189 H THR 25 HN THR 25 9.505 -4.908 -4.669 190 HA THR 25 HA THR 25 8.106 -7.419 -4.456 191 HB THR 25 HB THR 25 10.353 -6.085 -2.913 192 HG1 THR 25 HG1 THR 25 11.209 -6.647 -4.754 193 1HG2 THR 25 HG21 THR 25 9.211 -7.771 -1.477 194 2HG2 THR 25 HG22 THR 25 10.847 -8.268 -1.922 195 3HG2 THR 25 HG23 THR 25 9.457 -8.979 -2.743 196 H ALA 26 HN ALA 26 8.538 -4.715 -2.122 197 HA ALA 26 HA ALA 26 6.944 -5.807 -0.034 198 1HB ALA 26 HB1 ALA 26 7.649 -2.997 -0.914 199 2HB ALA 26 HB2 ALA 26 8.344 -3.928 0.412 200 3HB ALA 26 HB3 ALA 26 6.700 -3.296 0.547 201 H GLU 27 HN GLU 27 6.015 -3.322 -2.432 202 HA GLU 27 HA GLU 27 3.356 -2.905 -1.939 203 1HB GLU 27 HB2 GLU 27 4.833 -1.998 -3.778 204 2HB GLU 27 HB1 GLU 27 4.514 -3.475 -4.687 205 1HG GLU 27 HG2 GLU 27 2.229 -1.837 -3.627 206 2HG GLU 27 HG1 GLU 27 3.028 -1.367 -5.124 207 H LYS 28 HN LYS 28 4.651 -5.853 -3.470 208 HA LYS 28 HA LYS 28 2.103 -6.996 -4.226 209 1HB LYS 28 HB2 LYS 28 4.737 -8.303 -3.424 210 2HB LYS 28 HB1 LYS 28 3.443 -9.084 -4.331 211 1HG LYS 28 HG2 LYS 28 3.878 -7.873 -6.262 212 2HG LYS 28 HG1 LYS 28 4.579 -6.516 -5.380 213 1HD LYS 28 HD2 LYS 28 6.515 -7.471 -6.217 214 2HD LYS 28 HD1 LYS 28 6.382 -8.352 -4.695 215 1HE LYS 28 HE2 LYS 28 4.923 -10.029 -6.121 216 2HE LYS 28 HE1 LYS 28 5.799 -9.306 -7.485 217 1HZ LYS 28 HZ1 LYS 28 7.007 -10.480 -5.035 218 2HZ LYS 28 HZ2 LYS 28 7.877 -9.673 -6.251 219 3HZ LYS 28 HZ3 LYS 28 7.079 -11.131 -6.600 220 H VAL 29 HN VAL 29 4.195 -7.353 -1.363 221 HA VAL 29 HA VAL 29 2.460 -9.101 0.137 222 HB VAL 29 HB VAL 29 4.708 -7.158 0.749 223 1HG1 VAL 29 HG11 VAL 29 3.306 -8.935 2.776 224 2HG1 VAL 29 HG12 VAL 29 3.220 -7.171 2.737 225 3HG1 VAL 29 HG13 VAL 29 4.757 -7.975 3.070 226 1HG2 VAL 29 HG21 VAL 29 4.575 -10.148 1.165 227 2HG2 VAL 29 HG22 VAL 29 6.008 -9.127 1.047 228 3HG2 VAL 29 HG23 VAL 29 5.025 -9.435 -0.384 229 H LEU 30 HN LEU 30 2.709 -5.555 -0.158 230 HA LEU 30 HA LEU 30 0.884 -4.924 1.958 231 1HB LEU 30 HB2 LEU 30 1.877 -3.558 -0.552 232 2HB LEU 30 HB1 LEU 30 0.699 -2.767 0.484 233 HG LEU 30 HG LEU 30 3.249 -2.286 0.834 234 1HD1 LEU 30 HD11 LEU 30 1.628 -1.366 2.330 235 2HD1 LEU 30 HD12 LEU 30 2.893 -2.110 3.317 236 3HD1 LEU 30 HD13 LEU 30 1.347 -2.938 3.085 237 1HD2 LEU 30 HD21 LEU 30 4.201 -3.770 2.635 238 2HD2 LEU 30 HD22 LEU 30 4.167 -4.462 1.028 239 3HD2 LEU 30 HD23 LEU 30 2.975 -4.953 2.229 240 H LYS 31 HN LYS 31 0.473 -5.814 -1.423 241 HA LYS 31 HA LYS 31 -2.325 -5.175 -1.741 242 1HB LYS 31 HB2 LYS 31 -0.383 -6.041 -3.377 243 2HB LYS 31 HB1 LYS 31 -1.016 -7.608 -2.930 244 1HG LYS 31 HG2 LYS 31 -2.839 -5.402 -3.891 245 2HG LYS 31 HG1 LYS 31 -2.034 -6.488 -5.022 246 1HD LYS 31 HD2 LYS 31 -3.890 -7.323 -2.769 247 2HD LYS 31 HD1 LYS 31 -4.278 -7.335 -4.487 248 1HE LYS 31 HE2 LYS 31 -1.858 -8.780 -4.257 249 2HE LYS 31 HE1 LYS 31 -2.898 -9.360 -2.935 250 1HZ LYS 31 HZ1 LYS 31 -3.611 -9.151 -5.816 251 2HZ LYS 31 HZ2 LYS 31 -4.735 -9.483 -4.586 252 3HZ LYS 31 HZ3 LYS 31 -3.471 -10.573 -4.903 253 H GLN 32 HN GLN 32 -0.564 -8.065 -0.680 254 HA GLN 32 HA GLN 32 -2.728 -9.833 -0.206 255 1HB GLN 32 HB2 GLN 32 0.057 -9.434 0.749 256 2HB GLN 32 HB1 GLN 32 -0.968 -10.503 1.707 257 1HG GLN 32 HG2 GLN 32 -1.591 -11.520 -0.644 258 2HG GLN 32 HG1 GLN 32 -0.053 -10.807 -1.129 259 1HE2 GLN 32 HE21 GLN 32 1.807 -11.323 0.588 260 2HE2 GLN 32 HE22 GLN 32 1.851 -12.938 1.136 261 H TYR 33 HN TYR 33 -1.294 -7.321 1.866 262 HA TYR 33 HA TYR 33 -2.873 -7.786 4.233 263 1HB TYR 33 HB2 TYR 33 -0.833 -6.426 4.177 264 2HB TYR 33 HB1 TYR 33 -1.585 -5.295 3.051 265 HD1 TYR 33 HD1 TYR 33 -1.751 -6.673 6.481 266 HD2 TYR 33 HD2 TYR 33 -3.049 -3.570 3.815 267 HE1 TYR 33 HE1 TYR 33 -2.712 -5.444 8.391 268 HE2 TYR 33 HE2 TYR 33 -4.008 -2.328 5.732 269 HH TYR 33 HH TYR 33 -4.903 -3.023 8.113 270 H ILE 34 HN ILE 34 -3.341 -5.789 1.340 271 HA ILE 34 HA ILE 34 -5.814 -4.533 2.134 272 HB ILE 34 HB ILE 34 -4.619 -5.204 -0.574 273 1HG1 ILE 34 HG12 ILE 34 -3.272 -3.811 1.148 274 2HG1 ILE 34 HG11 ILE 34 -3.453 -3.153 -0.472 275 1HG2 ILE 34 HG21 ILE 34 -6.781 -3.221 0.182 276 2HG2 ILE 34 HG22 ILE 34 -6.972 -4.655 -0.827 277 3HG2 ILE 34 HG23 ILE 34 -6.002 -3.298 -1.399 278 1HD1 ILE 34 HD11 ILE 34 -5.424 -2.433 1.687 279 2HD1 ILE 34 HD12 ILE 34 -4.996 -1.534 0.231 280 3HD1 ILE 34 HD13 ILE 34 -3.871 -1.601 1.589 281 H ASN 35 HN ASN 35 -4.996 -7.648 0.721 282 HA ASN 35 HA ASN 35 -7.501 -8.425 -0.375 283 1HB ASN 35 HB2 ASN 35 -5.210 -9.531 -0.522 284 2HB ASN 35 HB1 ASN 35 -5.519 -10.192 1.083 285 1HD2 ASN 35 HD21 ASN 35 -5.893 -10.858 -2.210 286 2HD2 ASN 35 HD22 ASN 35 -7.105 -12.041 -2.093 287 H ASP 36 HN ASP 36 -6.376 -8.296 2.956 288 HA ASP 36 HA ASP 36 -8.542 -9.920 4.056 289 1HB ASP 36 HB2 ASP 36 -6.217 -8.313 4.984 290 2HB ASP 36 HB1 ASP 36 -7.530 -8.516 6.146 291 H ASN 37 HN ASN 37 -7.855 -6.435 3.755 292 HA ASN 37 HA ASN 37 -10.269 -5.594 5.157 293 1HB ASN 37 HB2 ASN 37 -8.332 -4.182 3.289 294 2HB ASN 37 HB1 ASN 37 -9.552 -3.367 4.274 295 1HD2 ASN 37 HD21 ASN 37 -8.411 -2.388 5.963 296 2HD2 ASN 37 HD22 ASN 37 -7.252 -3.179 6.933 297 H GLY 38 HN GLY 38 -9.359 -6.163 1.786 298 1HA GLY 38 HA2 GLY 38 -10.864 -6.667 0.004 299 2HA GLY 38 HA1 GLY 38 -12.207 -6.145 1.022 300 H ILE 39 HN ILE 39 -9.223 -4.379 0.205 301 HA ILE 39 HA ILE 39 -10.928 -2.314 -1.154 302 HB ILE 39 HB ILE 39 -8.536 -1.960 0.687 303 1HG1 ILE 39 HG12 ILE 39 -10.564 -2.639 1.904 304 2HG1 ILE 39 HG11 ILE 39 -10.194 -0.944 2.233 305 1HG2 ILE 39 HG21 ILE 39 -8.506 0.257 0.171 306 2HG2 ILE 39 HG22 ILE 39 -10.258 0.347 0.005 307 3HG2 ILE 39 HG23 ILE 39 -9.279 -0.268 -1.324 308 1HD1 ILE 39 HD11 ILE 39 -12.382 -0.603 1.701 309 2HD1 ILE 39 HD12 ILE 39 -12.507 -2.128 0.824 310 3HD1 ILE 39 HD13 ILE 39 -11.810 -0.714 0.036 311 H ASP 40 HN ASP 40 -10.133 -3.792 -3.037 312 HA ASP 40 HA ASP 40 -7.380 -2.975 -3.909 313 1HB ASP 40 HB2 ASP 40 -8.226 -5.454 -3.503 314 2HB ASP 40 HB1 ASP 40 -8.952 -5.241 -5.100 315 H GLY 41 HN GLY 41 -8.036 -0.996 -4.930 316 1HA GLY 41 HA2 GLY 41 -9.796 -1.371 -7.323 317 2HA GLY 41 HA1 GLY 41 -9.847 0.097 -6.342 318 H GLU 42 HN GLU 42 -8.097 1.591 -6.490 319 HA GLU 42 HA GLU 42 -6.186 1.083 -8.748 320 1HB GLU 42 HB2 GLU 42 -8.267 3.094 -8.329 321 2HB GLU 42 HB1 GLU 42 -6.696 3.840 -8.617 322 1HG GLU 42 HG2 GLU 42 -6.567 3.075 -10.768 323 2HG GLU 42 HG1 GLU 42 -7.394 1.562 -10.390 324 H TRP 43 HN TRP 43 -4.123 1.145 -7.979 325 HA TRP 43 HA TRP 43 -3.520 2.667 -5.484 326 1HB TRP 43 HB2 TRP 43 -2.026 0.604 -7.139 327 2HB TRP 43 HB1 TRP 43 -1.336 1.395 -5.734 328 HD1 TRP 43 HD1 TRP 43 -5.017 0.276 -5.743 329 HE1 TRP 43 HE1 TRP 43 -5.277 -1.642 -4.063 330 HE3 TRP 43 HE3 TRP 43 -0.139 -0.451 -4.505 331 HZ2 TRP 43 HZ2 TRP 43 -3.642 -3.249 -2.374 332 HZ3 TRP 43 HZ3 TRP 43 0.484 -2.175 -2.827 333 HH2 TRP 43 HH2 TRP 43 -1.252 -3.567 -1.764 334 H THR 44 HN THR 44 -1.350 3.853 -5.551 335 HA THR 44 HA THR 44 -0.530 4.827 -8.230 336 HB THR 44 HB THR 44 -0.853 7.171 -7.540 337 HG1 THR 44 HG1 THR 44 -1.828 7.627 -5.599 338 1HG2 THR 44 HG21 THR 44 -3.202 7.257 -7.834 339 2HG2 THR 44 HG22 THR 44 -3.443 5.715 -7.013 340 3HG2 THR 44 HG23 THR 44 -2.714 5.754 -8.618 341 H TYR 45 HN TYR 45 1.662 5.060 -8.243 342 HA TYR 45 HA TYR 45 3.118 4.821 -5.660 343 1HB TYR 45 HB2 TYR 45 3.571 3.280 -7.553 344 2HB TYR 45 HB1 TYR 45 4.019 4.656 -8.558 345 HD1 TYR 45 HD1 TYR 45 4.789 3.716 -4.999 346 HD2 TYR 45 HD2 TYR 45 6.320 4.699 -8.890 347 HE1 TYR 45 HE1 TYR 45 7.103 3.619 -4.113 348 HE2 TYR 45 HE2 TYR 45 8.632 4.604 -8.003 349 HH TYR 45 HH TYR 45 9.732 3.275 -5.876 350 H ASP 46 HN ASP 46 4.958 6.281 -5.258 351 HA ASP 46 HA ASP 46 5.209 8.727 -6.885 352 1HB ASP 46 HB2 ASP 46 4.593 10.178 -4.950 353 2HB ASP 46 HB1 ASP 46 3.245 9.177 -5.485 354 H ASP 47 HN ASP 47 7.410 8.796 -7.022 355 HA ASP 47 HA ASP 47 9.178 7.720 -4.981 356 1HB ASP 47 HB2 ASP 47 10.919 8.615 -6.515 357 2HB ASP 47 HB1 ASP 47 9.685 7.707 -7.387 358 H ALA 48 HN ALA 48 7.637 10.792 -5.406 359 HA ALA 48 HA ALA 48 9.514 12.620 -4.336 360 1HB ALA 48 HB1 ALA 48 7.624 14.011 -4.058 361 2HB ALA 48 HB2 ALA 48 6.571 12.650 -3.670 362 3HB ALA 48 HB3 ALA 48 7.122 12.895 -5.328 363 H THR 49 HN THR 49 7.600 10.154 -2.720 364 HA THR 49 HA THR 49 9.073 10.672 -0.202 365 HB THR 49 HB THR 49 7.096 12.132 -0.115 366 HG1 THR 49 HG1 THR 49 7.746 11.041 1.788 367 1HG2 THR 49 HG21 THR 49 5.626 9.565 -0.738 368 2HG2 THR 49 HG22 THR 49 5.590 11.078 -1.643 369 3HG2 THR 49 HG23 THR 49 4.822 10.979 -0.059 370 H LYS 50 HN LYS 50 8.821 8.491 -2.261 371 HA LYS 50 HA LYS 50 8.386 6.168 -2.441 372 1HB LYS 50 HB2 LYS 50 9.613 4.998 -0.639 373 2HB LYS 50 HB1 LYS 50 10.491 6.409 -1.223 374 1HG LYS 50 HG2 LYS 50 9.848 7.704 0.700 375 2HG LYS 50 HG1 LYS 50 8.703 6.469 1.223 376 1HD LYS 50 HD2 LYS 50 11.705 6.083 1.021 377 2HD LYS 50 HD1 LYS 50 10.830 6.403 2.517 378 1HE LYS 50 HE2 LYS 50 10.617 4.145 2.703 379 2HE LYS 50 HE1 LYS 50 9.445 4.250 1.376 380 1HZ LYS 50 HZ1 LYS 50 12.379 3.848 1.164 381 2HZ LYS 50 HZ2 LYS 50 11.393 4.233 -0.165 382 3HZ LYS 50 HZ3 LYS 50 11.158 2.777 0.678 383 H THR 51 HN THR 51 5.924 7.122 -1.940 384 HA THR 51 HA THR 51 4.837 5.347 0.226 385 HB THR 51 HB THR 51 3.691 7.944 -0.851 386 HG1 THR 51 HG1 THR 51 4.616 8.899 0.937 387 1HG2 THR 51 HG21 THR 51 2.735 7.672 1.659 388 2HG2 THR 51 HG22 THR 51 2.922 5.972 1.232 389 3HG2 THR 51 HG23 THR 51 1.906 7.022 0.245 390 H TRP 52 HN TRP 52 2.425 4.801 -0.304 391 HA TRP 52 HA TRP 52 2.034 4.429 -3.256 392 1HB TRP 52 HB2 TRP 52 1.961 2.479 -0.962 393 2HB TRP 52 HB1 TRP 52 1.045 2.168 -2.429 394 HD1 TRP 52 HD1 TRP 52 4.566 2.242 -1.067 395 HE1 TRP 52 HE1 TRP 52 6.181 1.330 -2.864 396 HE3 TRP 52 HE3 TRP 52 1.380 1.965 -5.005 397 HZ2 TRP 52 HZ2 TRP 52 6.107 0.572 -5.632 398 HZ3 TRP 52 HZ3 TRP 52 2.154 1.142 -7.219 399 HH2 TRP 52 HH2 TRP 52 4.515 0.445 -7.534 400 H THR 53 HN THR 53 -0.385 3.232 -3.293 401 HA THR 53 HA THR 53 -2.257 4.512 -1.415 402 HB THR 53 HB THR 53 -2.431 5.137 -4.370 403 HG1 THR 53 HG1 THR 53 -0.656 6.220 -3.880 404 1HG2 THR 53 HG21 THR 53 -3.679 7.153 -3.203 405 2HG2 THR 53 HG22 THR 53 -3.823 6.010 -1.867 406 3HG2 THR 53 HG23 THR 53 -4.504 5.613 -3.445 407 H VAL 54 HN VAL 54 -4.588 3.935 -2.116 408 HA VAL 54 HA VAL 54 -5.068 1.760 -3.959 409 HB VAL 54 HB VAL 54 -3.805 0.426 -2.404 410 1HG1 VAL 54 HG11 VAL 54 -3.536 1.621 -0.459 411 2HG1 VAL 54 HG12 VAL 54 -4.729 0.439 0.077 412 3HG1 VAL 54 HG13 VAL 54 -5.236 2.067 -0.367 413 1HG2 VAL 54 HG21 VAL 54 -6.527 -0.113 -1.276 414 2HG2 VAL 54 HG22 VAL 54 -5.319 -1.251 -1.880 415 3HG2 VAL 54 HG23 VAL 54 -6.292 -0.305 -3.014 416 H THR 55 HN THR 55 -6.852 3.139 -4.474 417 HA THR 55 HA THR 55 -8.859 3.731 -2.371 418 HB THR 55 HB THR 55 -8.960 4.369 -5.327 419 HG1 THR 55 HG1 THR 55 -7.121 5.324 -4.923 420 1HG2 THR 55 HG21 THR 55 -10.429 6.080 -4.704 421 2HG2 THR 55 HG22 THR 55 -9.843 6.110 -3.041 422 3HG2 THR 55 HG23 THR 55 -10.871 4.787 -3.589 423 H GLU 56 HN GLU 56 -10.792 2.623 -2.209 424 HA GLU 56 HA GLU 56 -11.168 0.134 -3.664 425 1HB GLU 56 HB2 GLU 56 -11.848 0.786 -1.272 426 2HB GLU 56 HB1 GLU 56 -13.200 1.649 -2.006 427 1HG GLU 56 HG2 GLU 56 -13.503 -0.678 -3.284 428 2HG GLU 56 HG1 GLU 56 -12.687 -1.289 -1.844 Start of MODEL 37 1 1H THR 1 HT1 THR 1 15.532 2.322 4.042 2 2H THR 1 HT2 THR 1 14.768 3.444 5.062 3 3H THR 1 HT3 THR 1 16.007 3.950 4.016 4 HA THR 1 HA THR 1 13.992 4.639 3.002 5 HB THR 1 HB THR 1 14.915 2.016 1.789 6 HG1 THR 1 HG1 THR 1 16.751 3.095 2.099 7 1HG2 THR 1 HG21 THR 1 14.605 3.749 -0.263 8 2HG2 THR 1 HG22 THR 1 13.381 4.374 0.842 9 3HG2 THR 1 HG23 THR 1 13.312 2.695 0.307 10 H THR 2 HN THR 2 12.229 4.237 4.558 11 HA THR 2 HA THR 2 10.863 1.601 4.380 12 HB THR 2 HB THR 2 10.068 4.025 6.002 13 HG1 THR 2 HG1 THR 2 11.451 3.054 7.623 14 1HG2 THR 2 HG21 THR 2 8.629 1.921 5.824 15 2HG2 THR 2 HG22 THR 2 9.064 2.426 7.456 16 3HG2 THR 2 HG23 THR 2 9.918 1.087 6.691 17 H PHE 3 HN PHE 3 9.132 1.337 3.034 18 HA PHE 3 HA PHE 3 8.108 3.586 1.455 19 1HB PHE 3 HB2 PHE 3 7.426 0.636 1.662 20 2HB PHE 3 HB1 PHE 3 6.741 1.722 0.452 21 HD1 PHE 3 HD1 PHE 3 8.771 3.351 -0.566 22 HD2 PHE 3 HD2 PHE 3 9.141 -0.702 0.819 23 HE1 PHE 3 HE1 PHE 3 10.785 3.050 -1.980 24 HE2 PHE 3 HE2 PHE 3 11.155 -1.000 -0.596 25 HZ PHE 3 HZ PHE 3 11.977 0.875 -1.995 26 H LYS 4 HN LYS 4 5.499 3.427 1.204 27 HA LYS 4 HA LYS 4 4.149 3.078 3.821 28 1HB LYS 4 HB2 LYS 4 5.342 5.417 3.440 29 2HB LYS 4 HB1 LYS 4 3.920 5.738 2.450 30 1HG LYS 4 HG2 LYS 4 2.534 4.953 4.459 31 2HG LYS 4 HG1 LYS 4 4.025 5.069 5.392 32 1HD LYS 4 HD2 LYS 4 3.424 7.233 5.709 33 2HD LYS 4 HD1 LYS 4 4.031 7.470 4.070 34 1HE LYS 4 HE2 LYS 4 1.920 7.690 3.186 35 2HE LYS 4 HE1 LYS 4 1.223 6.494 4.298 36 1HZ LYS 4 HZ1 LYS 4 0.508 8.739 4.876 37 2HZ LYS 4 HZ2 LYS 4 2.126 9.228 5.042 38 3HZ LYS 4 HZ3 LYS 4 1.470 8.078 6.106 39 H LEU 5 HN LEU 5 1.869 2.912 3.587 40 HA LEU 5 HA LEU 5 0.651 3.380 0.920 41 1HB LEU 5 HB2 LEU 5 1.690 0.962 1.343 42 2HB LEU 5 HB1 LEU 5 0.205 0.728 2.253 43 HG LEU 5 HG LEU 5 -0.323 2.007 -0.319 44 1HD1 LEU 5 HD11 LEU 5 1.761 0.445 -0.707 45 2HD1 LEU 5 HD12 LEU 5 0.399 0.389 -1.832 46 3HD1 LEU 5 HD13 LEU 5 0.567 -0.851 -0.578 47 1HD2 LEU 5 HD21 LEU 5 -2.076 0.998 1.021 48 2HD2 LEU 5 HD22 LEU 5 -1.233 -0.551 1.036 49 3HD2 LEU 5 HD23 LEU 5 -1.918 0.066 -0.468 50 H ILE 6 HN ILE 6 -1.485 4.010 1.147 51 HA ILE 6 HA ILE 6 -2.624 3.968 3.916 52 HB ILE 6 HB ILE 6 -3.106 5.721 1.486 53 1HG1 ILE 6 HG12 ILE 6 -0.924 6.048 2.614 54 2HG1 ILE 6 HG11 ILE 6 -1.975 7.448 2.824 55 1HG2 ILE 6 HG21 ILE 6 -4.291 7.144 3.331 56 2HG2 ILE 6 HG22 ILE 6 -4.420 5.609 4.191 57 3HG2 ILE 6 HG23 ILE 6 -5.165 5.795 2.603 58 1HD1 ILE 6 HD11 ILE 6 -2.591 5.781 4.990 59 2HD1 ILE 6 HD12 ILE 6 -1.612 7.246 5.043 60 3HD1 ILE 6 HD13 ILE 6 -0.838 5.676 4.836 61 H ILE 7 HN ILE 7 -4.494 2.826 4.258 62 HA ILE 7 HA ILE 7 -5.667 1.295 2.022 63 HB ILE 7 HB ILE 7 -6.239 1.395 5.006 64 1HG1 ILE 7 HG12 ILE 7 -4.683 -0.684 3.444 65 2HG1 ILE 7 HG11 ILE 7 -3.907 0.677 4.255 66 1HG2 ILE 7 HG21 ILE 7 -8.146 0.421 3.990 67 2HG2 ILE 7 HG22 ILE 7 -7.151 -0.959 4.454 68 3HG2 ILE 7 HG23 ILE 7 -7.176 -0.415 2.777 69 1HD1 ILE 7 HD11 ILE 7 -3.810 -1.004 5.888 70 2HD1 ILE 7 HD12 ILE 7 -5.401 -1.637 5.466 71 3HD1 ILE 7 HD13 ILE 7 -5.262 -0.114 6.344 72 H ASN 8 HN ASN 8 -7.279 2.239 0.844 73 HA ASN 8 HA ASN 8 -9.069 4.234 2.179 74 1HB ASN 8 HB2 ASN 8 -8.017 3.761 -0.593 75 2HB ASN 8 HB1 ASN 8 -9.552 4.608 -0.407 76 1HD2 ASN 8 HD21 ASN 8 -7.429 6.061 -1.472 77 2HD2 ASN 8 HD22 ASN 8 -6.857 7.189 -0.327 78 H GLY 9 HN GLY 9 -9.721 1.675 2.847 79 1HA GLY 9 HA2 GLY 9 -11.613 0.526 0.924 80 2HA GLY 9 HA1 GLY 9 -11.290 -0.081 2.553 81 H LYS 10 HN LYS 10 -13.873 0.562 1.128 82 HA LYS 10 HA LYS 10 -15.139 2.880 2.093 83 1HB LYS 10 HB2 LYS 10 -16.188 0.076 1.612 84 2HB LYS 10 HB1 LYS 10 -17.215 1.500 1.787 85 1HG LYS 10 HG2 LYS 10 -15.965 2.551 -0.128 86 2HG LYS 10 HG1 LYS 10 -15.130 1.014 -0.359 87 1HD LYS 10 HD2 LYS 10 -16.888 0.675 -1.807 88 2HD LYS 10 HD1 LYS 10 -17.646 0.092 -0.325 89 1HE LYS 10 HE2 LYS 10 -18.948 2.017 -0.074 90 2HE LYS 10 HE1 LYS 10 -17.828 3.017 -1.020 91 1HZ LYS 10 HZ1 LYS 10 -19.519 0.808 -2.067 92 2HZ LYS 10 HZ2 LYS 10 -18.378 1.676 -2.978 93 3HZ LYS 10 HZ3 LYS 10 -19.750 2.463 -2.356 94 H THR 11 HN THR 11 -14.501 -0.186 3.730 95 HA THR 11 HA THR 11 -15.775 0.910 6.217 96 HB THR 11 HB THR 11 -15.245 -1.964 5.397 97 HG1 THR 11 HG1 THR 11 -16.832 -1.451 4.087 98 1HG2 THR 11 HG21 THR 11 -15.497 -1.284 7.880 99 2HG2 THR 11 HG22 THR 11 -16.522 -2.587 7.279 100 3HG2 THR 11 HG23 THR 11 -17.184 -0.964 7.476 101 H LEU 12 HN LEU 12 -12.936 -0.706 4.848 102 HA LEU 12 HA LEU 12 -11.543 -0.520 7.490 103 1HB LEU 12 HB2 LEU 12 -10.999 -2.060 4.932 104 2HB LEU 12 HB1 LEU 12 -9.970 -2.124 6.363 105 HG LEU 12 HG LEU 12 -12.906 -2.655 6.663 106 1HD1 LEU 12 HD11 LEU 12 -11.802 -4.026 4.722 107 2HD1 LEU 12 HD12 LEU 12 -12.756 -4.876 5.937 108 3HD1 LEU 12 HD13 LEU 12 -10.995 -4.890 6.030 109 1HD2 LEU 12 HD21 LEU 12 -11.931 -4.241 8.398 110 2HD2 LEU 12 HD22 LEU 12 -11.619 -2.530 8.692 111 3HD2 LEU 12 HD23 LEU 12 -10.350 -3.555 8.020 112 H LYS 13 HN LYS 13 -9.762 0.819 7.701 113 HA LYS 13 HA LYS 13 -8.468 1.976 5.292 114 1HB LYS 13 HB2 LYS 13 -10.367 3.314 7.122 115 2HB LYS 13 HB1 LYS 13 -8.883 4.219 6.823 116 1HG LYS 13 HG2 LYS 13 -9.369 4.552 4.607 117 2HG LYS 13 HG1 LYS 13 -10.183 2.996 4.445 118 1HD LYS 13 HD2 LYS 13 -12.187 3.813 5.409 119 2HD LYS 13 HD1 LYS 13 -11.384 5.239 6.069 120 1HE LYS 13 HE2 LYS 13 -10.852 5.569 3.413 121 2HE LYS 13 HE1 LYS 13 -12.438 4.776 3.339 122 1HZ LYS 13 HZ1 LYS 13 -12.766 7.127 3.618 123 2HZ LYS 13 HZ2 LYS 13 -11.723 7.163 4.959 124 3HZ LYS 13 HZ3 LYS 13 -13.209 6.347 5.057 125 H GLY 14 HN GLY 14 -6.765 3.728 6.302 126 1HA GLY 14 HA2 GLY 14 -5.487 4.013 8.526 127 2HA GLY 14 HA1 GLY 14 -5.338 2.257 8.473 128 H GLU 15 HN GLU 15 -2.965 3.253 8.571 129 HA GLU 15 HA GLU 15 -1.974 3.460 5.744 130 1HB GLU 15 HB2 GLU 15 -0.201 4.923 6.706 131 2HB GLU 15 HB1 GLU 15 -1.813 5.575 6.992 132 1HG GLU 15 HG2 GLU 15 -1.812 4.790 9.271 133 2HG GLU 15 HG1 GLU 15 -0.330 3.870 9.010 134 H THR 16 HN THR 16 0.346 2.671 5.544 135 HA THR 16 HA THR 16 1.348 0.858 7.633 136 HB THR 16 HB THR 16 -0.445 -0.459 6.589 137 HG1 THR 16 HG1 THR 16 0.780 -2.182 6.433 138 1HG2 THR 16 HG21 THR 16 1.019 0.251 4.035 139 2HG2 THR 16 HG22 THR 16 -0.674 0.542 4.436 140 3HG2 THR 16 HG23 THR 16 -0.110 -1.101 4.138 141 H THR 17 HN THR 17 3.483 0.026 7.101 142 HA THR 17 HA THR 17 4.755 1.172 4.645 143 HB THR 17 HB THR 17 6.618 1.949 6.072 144 HG1 THR 17 HG1 THR 17 6.498 1.722 8.262 145 1HG2 THR 17 HG21 THR 17 4.145 3.134 5.820 146 2HG2 THR 17 HG22 THR 17 5.569 3.910 6.511 147 3HG2 THR 17 HG23 THR 17 4.384 3.142 7.567 148 H THR 18 HN THR 18 6.786 0.049 4.096 149 HA THR 18 HA THR 18 7.306 -2.483 5.545 150 HB THR 18 HB THR 18 5.808 -2.164 3.067 151 HG1 THR 18 HG1 THR 18 6.667 -4.412 4.575 152 1HG2 THR 18 HG21 THR 18 8.056 -2.447 1.998 153 2HG2 THR 18 HG22 THR 18 6.934 -3.760 1.637 154 3HG2 THR 18 HG23 THR 18 8.216 -3.998 2.824 155 H GLU 19 HN GLU 19 9.401 -3.446 4.831 156 HA GLU 19 HA GLU 19 11.286 -1.369 3.761 157 1HB GLU 19 HB2 GLU 19 11.477 -2.039 6.188 158 2HB GLU 19 HB1 GLU 19 11.825 -3.684 5.651 159 1HG GLU 19 HG2 GLU 19 13.610 -2.317 4.136 160 2HG GLU 19 HG1 GLU 19 13.534 -1.258 5.545 161 H ALA 20 HN ALA 20 11.875 -1.937 1.698 162 HA ALA 20 HA ALA 20 12.672 -4.750 1.152 163 1HB ALA 20 HB1 ALA 20 11.186 -4.318 -1.037 164 2HB ALA 20 HB2 ALA 20 10.319 -3.256 0.074 165 3HB ALA 20 HB3 ALA 20 10.482 -4.975 0.441 166 H VAL 21 HN VAL 21 13.526 -4.851 -1.212 167 HA VAL 21 HA VAL 21 15.699 -3.059 -1.564 168 HB VAL 21 HB VAL 21 15.833 -4.128 -3.803 169 1HG1 VAL 21 HG11 VAL 21 16.330 -6.243 -2.980 170 2HG1 VAL 21 HG12 VAL 21 14.900 -6.291 -1.948 171 3HG1 VAL 21 HG13 VAL 21 16.289 -5.309 -1.485 172 1HG2 VAL 21 HG21 VAL 21 13.624 -4.240 -4.610 173 2HG2 VAL 21 HG22 VAL 21 13.003 -4.917 -3.105 174 3HG2 VAL 21 HG23 VAL 21 13.967 -5.917 -4.190 175 H ASP 22 HN ASP 22 12.441 -3.017 -2.993 176 HA ASP 22 HA ASP 22 12.778 -0.141 -3.648 177 1HB ASP 22 HB2 ASP 22 12.046 -2.313 -5.644 178 2HB ASP 22 HB1 ASP 22 12.049 -0.582 -5.984 179 H ALA 23 HN ALA 23 10.618 0.792 -4.324 180 HA ALA 23 HA ALA 23 8.520 0.029 -2.525 181 1HB ALA 23 HB1 ALA 23 7.215 1.601 -4.144 182 2HB ALA 23 HB2 ALA 23 8.765 1.794 -4.961 183 3HB ALA 23 HB3 ALA 23 8.593 2.271 -3.272 184 H ALA 24 HN ALA 24 9.287 -0.952 -5.811 185 HA ALA 24 HA ALA 24 6.756 -1.991 -6.629 186 1HB ALA 24 HB1 ALA 24 9.046 -1.631 -7.854 187 2HB ALA 24 HB2 ALA 24 8.016 -2.971 -8.359 188 3HB ALA 24 HB3 ALA 24 9.399 -3.270 -7.306 189 H THR 25 HN THR 25 9.463 -3.556 -4.892 190 HA THR 25 HA THR 25 8.137 -6.130 -4.657 191 HB THR 25 HB THR 25 10.514 -4.784 -3.342 192 HG1 THR 25 HG1 THR 25 11.621 -6.249 -4.663 193 1HG2 THR 25 HG21 THR 25 9.553 -6.436 -1.756 194 2HG2 THR 25 HG22 THR 25 11.119 -6.963 -2.384 195 3HG2 THR 25 HG23 THR 25 9.633 -7.669 -3.019 196 H ALA 26 HN ALA 26 8.492 -3.295 -2.510 197 HA ALA 26 HA ALA 26 7.337 -4.461 -0.182 198 1HB ALA 26 HB1 ALA 26 6.873 -2.026 0.393 199 2HB ALA 26 HB2 ALA 26 7.429 -1.617 -1.236 200 3HB ALA 26 HB3 ALA 26 8.540 -2.367 -0.090 201 H GLU 27 HN GLU 27 5.716 -2.069 -2.308 202 HA GLU 27 HA GLU 27 3.099 -2.303 -1.469 203 1HB GLU 27 HB2 GLU 27 2.515 -1.624 -3.788 204 2HB GLU 27 HB1 GLU 27 3.930 -0.759 -3.192 205 1HG GLU 27 HG2 GLU 27 4.778 -1.416 -5.226 206 2HG GLU 27 HG1 GLU 27 5.176 -2.867 -4.306 207 H LYS 28 HN LYS 28 4.858 -4.628 -3.416 208 HA LYS 28 HA LYS 28 2.654 -6.246 -4.312 209 1HB LYS 28 HB2 LYS 28 4.577 -6.807 -5.438 210 2HB LYS 28 HB1 LYS 28 5.609 -6.297 -4.118 211 1HG LYS 28 HG2 LYS 28 4.883 -8.522 -2.973 212 2HG LYS 28 HG1 LYS 28 4.344 -8.990 -4.586 213 1HD LYS 28 HD2 LYS 28 6.529 -8.829 -5.481 214 2HD LYS 28 HD1 LYS 28 7.111 -7.871 -4.115 215 1HE LYS 28 HE2 LYS 28 6.874 -9.826 -2.625 216 2HE LYS 28 HE1 LYS 28 6.269 -10.795 -3.985 217 1HZ LYS 28 HZ1 LYS 28 8.710 -10.993 -3.619 218 2HZ LYS 28 HZ2 LYS 28 8.862 -9.346 -4.008 219 3HZ LYS 28 HZ3 LYS 28 8.292 -10.448 -5.169 220 H VAL 29 HN VAL 29 4.748 -6.431 -1.423 221 HA VAL 29 HA VAL 29 3.326 -8.652 -0.188 222 HB VAL 29 HB VAL 29 5.328 -6.531 0.640 223 1HG1 VAL 29 HG11 VAL 29 3.874 -6.907 2.619 224 2HG1 VAL 29 HG12 VAL 29 5.498 -7.557 2.871 225 3HG1 VAL 29 HG13 VAL 29 4.163 -8.645 2.486 226 1HG2 VAL 29 HG21 VAL 29 5.359 -9.544 0.352 227 2HG2 VAL 29 HG22 VAL 29 6.689 -8.630 1.064 228 3HG2 VAL 29 HG23 VAL 29 6.236 -8.362 -0.619 229 H LEU 30 HN LEU 30 3.046 -5.123 -0.151 230 HA LEU 30 HA LEU 30 1.213 -4.940 2.054 231 1HB LEU 30 HB2 LEU 30 1.829 -3.233 -0.369 232 2HB LEU 30 HB1 LEU 30 0.663 -2.725 0.834 233 HG LEU 30 HG LEU 30 3.237 -1.978 0.943 234 1HD1 LEU 30 HD11 LEU 30 1.456 -2.675 3.273 235 2HD1 LEU 30 HD12 LEU 30 1.635 -1.112 2.470 236 3HD1 LEU 30 HD13 LEU 30 2.966 -1.768 3.436 237 1HD2 LEU 30 HD21 LEU 30 3.211 -4.648 2.359 238 2HD2 LEU 30 HD22 LEU 30 4.287 -3.354 2.835 239 3HD2 LEU 30 HD23 LEU 30 4.388 -4.014 1.215 240 H LYS 31 HN LYS 31 0.876 -5.563 -1.400 241 HA LYS 31 HA LYS 31 -1.973 -5.348 -1.680 242 1HB LYS 31 HB2 LYS 31 0.067 -5.837 -3.350 243 2HB LYS 31 HB1 LYS 31 -0.347 -7.500 -3.007 244 1HG LYS 31 HG2 LYS 31 -2.450 -5.503 -3.845 245 2HG LYS 31 HG1 LYS 31 -1.510 -6.405 -5.032 246 1HD LYS 31 HD2 LYS 31 -3.238 -7.609 -2.844 247 2HD LYS 31 HD1 LYS 31 -3.622 -7.572 -4.564 248 1HE LYS 31 HE2 LYS 31 -1.032 -8.694 -4.402 249 2HE LYS 31 HE1 LYS 31 -1.982 -9.481 -3.121 250 1HZ LYS 31 HZ1 LYS 31 -2.404 -10.651 -5.145 251 2HZ LYS 31 HZ2 LYS 31 -2.712 -9.211 -5.992 252 3HZ LYS 31 HZ3 LYS 31 -3.793 -9.743 -4.794 253 H GLN 32 HN GLN 32 0.172 -8.028 -0.782 254 HA GLN 32 HA GLN 32 -1.730 -10.099 -0.430 255 1HB GLN 32 HB2 GLN 32 0.992 -9.400 0.488 256 2HB GLN 32 HB1 GLN 32 0.131 -10.580 1.479 257 1HG GLN 32 HG2 GLN 32 -0.434 -11.726 -0.791 258 2HG GLN 32 HG1 GLN 32 0.908 -10.770 -1.419 259 1HE2 GLN 32 HE21 GLN 32 2.781 -12.009 -1.441 260 2HE2 GLN 32 HE22 GLN 32 3.235 -13.121 -0.230 261 H TYR 33 HN TYR 33 -0.666 -7.529 1.780 262 HA TYR 33 HA TYR 33 -2.206 -8.359 4.089 263 1HB TYR 33 HB2 TYR 33 -0.321 -6.808 4.225 264 2HB TYR 33 HB1 TYR 33 -1.119 -5.682 3.130 265 HD1 TYR 33 HD1 TYR 33 -1.374 -7.317 6.442 266 HD2 TYR 33 HD2 TYR 33 -2.699 -4.097 3.934 267 HE1 TYR 33 HE1 TYR 33 -2.523 -6.297 8.372 268 HE2 TYR 33 HE2 TYR 33 -3.848 -3.064 5.872 269 HH TYR 33 HH TYR 33 -3.709 -3.096 8.327 270 H ILE 34 HN ILE 34 -2.793 -6.185 1.347 271 HA ILE 34 HA ILE 34 -5.405 -5.254 2.123 272 HB ILE 34 HB ILE 34 -4.053 -5.630 -0.569 273 1HG1 ILE 34 HG12 ILE 34 -2.939 -4.200 1.264 274 2HG1 ILE 34 HG11 ILE 34 -3.166 -3.448 -0.309 275 1HG2 ILE 34 HG21 ILE 34 -5.618 -3.842 -1.348 276 2HG2 ILE 34 HG22 ILE 34 -6.469 -3.969 0.191 277 3HG2 ILE 34 HG23 ILE 34 -6.437 -5.343 -0.914 278 1HD1 ILE 34 HD11 ILE 34 -5.215 -2.347 0.536 279 2HD1 ILE 34 HD12 ILE 34 -3.807 -1.914 1.506 280 3HD1 ILE 34 HD13 ILE 34 -4.964 -3.100 2.111 281 H ASN 35 HN ASN 35 -4.226 -8.159 0.522 282 HA ASN 35 HA ASN 35 -6.612 -9.132 -0.675 283 1HB ASN 35 HB2 ASN 35 -4.214 -9.969 -0.849 284 2HB ASN 35 HB1 ASN 35 -4.460 -10.759 0.708 285 1HD2 ASN 35 HD21 ASN 35 -5.002 -12.922 0.431 286 2HD2 ASN 35 HD22 ASN 35 -5.958 -13.538 -0.829 287 H ASP 36 HN ASP 36 -5.581 -9.084 2.687 288 HA ASP 36 HA ASP 36 -7.609 -11.001 3.597 289 1HB ASP 36 HB2 ASP 36 -5.373 -10.676 4.649 290 2HB ASP 36 HB1 ASP 36 -5.842 -9.033 5.090 291 H ASN 37 HN ASN 37 -7.072 -7.483 4.051 292 HA ASN 37 HA ASN 37 -9.532 -6.923 5.387 293 1HB ASN 37 HB2 ASN 37 -7.803 -5.223 3.554 294 2HB ASN 37 HB1 ASN 37 -9.018 -4.591 4.671 295 1HD2 ASN 37 HD21 ASN 37 -8.177 -3.972 6.658 296 2HD2 ASN 37 HD22 ASN 37 -6.769 -4.620 7.372 297 H GLY 38 HN GLY 38 -8.764 -7.315 1.974 298 1HA GLY 38 HA2 GLY 38 -10.289 -7.730 0.203 299 2HA GLY 38 HA1 GLY 38 -11.621 -7.410 1.315 300 H ILE 39 HN ILE 39 -8.932 -5.186 0.928 301 HA ILE 39 HA ILE 39 -10.820 -3.231 -0.346 302 HB ILE 39 HB ILE 39 -8.418 -2.821 1.471 303 1HG1 ILE 39 HG12 ILE 39 -10.345 -3.813 2.649 304 2HG1 ILE 39 HG11 ILE 39 -10.110 -2.136 3.147 305 1HG2 ILE 39 HG21 ILE 39 -8.637 -0.899 0.049 306 2HG2 ILE 39 HG22 ILE 39 -9.364 -0.466 1.595 307 3HG2 ILE 39 HG23 ILE 39 -10.392 -0.890 0.227 308 1HD1 ILE 39 HD11 ILE 39 -11.813 -1.898 0.971 309 2HD1 ILE 39 HD12 ILE 39 -12.305 -1.853 2.664 310 3HD1 ILE 39 HD13 ILE 39 -12.385 -3.367 1.763 311 H ASP 40 HN ASP 40 -9.960 -4.420 -2.385 312 HA ASP 40 HA ASP 40 -7.369 -3.175 -3.251 313 1HB ASP 40 HB2 ASP 40 -7.132 -5.215 -4.671 314 2HB ASP 40 HB1 ASP 40 -7.231 -5.612 -2.953 315 H GLY 41 HN GLY 41 -7.845 -1.556 -4.683 316 1HA GLY 41 HA2 GLY 41 -9.779 -2.130 -6.864 317 2HA GLY 41 HA1 GLY 41 -10.028 -0.673 -5.897 318 H GLU 42 HN GLU 42 -8.412 1.014 -6.005 319 HA GLU 42 HA GLU 42 -6.573 0.794 -8.367 320 1HB GLU 42 HB2 GLU 42 -8.806 2.586 -7.740 321 2HB GLU 42 HB1 GLU 42 -7.328 3.473 -8.111 322 1HG GLU 42 HG2 GLU 42 -7.250 2.720 -10.285 323 2HG GLU 42 HG1 GLU 42 -8.030 1.186 -9.894 324 H TRP 43 HN TRP 43 -4.498 0.991 -7.662 325 HA TRP 43 HA TRP 43 -3.926 2.470 -5.138 326 1HB TRP 43 HB2 TRP 43 -2.347 0.593 -6.925 327 2HB TRP 43 HB1 TRP 43 -1.655 1.395 -5.528 328 HD1 TRP 43 HD1 TRP 43 -5.234 -0.014 -5.416 329 HE1 TRP 43 HE1 TRP 43 -5.266 -1.988 -3.781 330 HE3 TRP 43 HE3 TRP 43 -0.264 -0.374 -4.406 331 HZ2 TRP 43 HZ2 TRP 43 -3.434 -3.497 -2.204 332 HZ3 TRP 43 HZ3 TRP 43 0.574 -2.081 -2.807 333 HH2 TRP 43 HH2 TRP 43 -1.002 -3.636 -1.708 334 H THR 44 HN THR 44 -1.822 3.783 -5.240 335 HA THR 44 HA THR 44 -1.035 4.880 -7.842 336 HB THR 44 HB THR 44 -1.662 7.247 -6.840 337 HG1 THR 44 HG1 THR 44 -3.679 5.611 -5.719 338 1HG2 THR 44 HG21 THR 44 -3.983 5.628 -7.851 339 2HG2 THR 44 HG22 THR 44 -2.587 5.914 -8.890 340 3HG2 THR 44 HG23 THR 44 -3.514 7.277 -8.265 341 H TYR 45 HN TYR 45 1.077 5.483 -7.679 342 HA TYR 45 HA TYR 45 2.393 5.381 -5.042 343 1HB TYR 45 HB2 TYR 45 3.350 4.237 -6.980 344 2HB TYR 45 HB1 TYR 45 3.352 5.734 -7.908 345 HD1 TYR 45 HD1 TYR 45 5.213 7.172 -7.847 346 HD2 TYR 45 HD2 TYR 45 4.741 4.190 -4.794 347 HE1 TYR 45 HE1 TYR 45 7.461 7.729 -6.958 348 HE2 TYR 45 HE2 TYR 45 6.989 4.743 -3.905 349 HH TYR 45 HH TYR 45 9.274 6.274 -5.513 350 H ASP 46 HN ASP 46 4.051 7.182 -4.574 351 HA ASP 46 HA ASP 46 3.272 9.847 -5.670 352 1HB ASP 46 HB2 ASP 46 3.482 9.200 -2.707 353 2HB ASP 46 HB1 ASP 46 3.009 10.741 -3.415 354 H ASP 47 HN ASP 47 5.145 10.830 -6.276 355 HA ASP 47 HA ASP 47 7.764 9.860 -5.543 356 1HB ASP 47 HB2 ASP 47 6.816 12.463 -6.785 357 2HB ASP 47 HB1 ASP 47 8.483 11.888 -6.796 358 H ALA 48 HN ALA 48 5.555 11.885 -3.863 359 HA ALA 48 HA ALA 48 7.130 13.826 -2.579 360 1HB ALA 48 HB1 ALA 48 4.831 13.892 -2.167 361 2HB ALA 48 HB2 ALA 48 5.422 13.220 -0.647 362 3HB ALA 48 HB3 ALA 48 4.733 12.153 -1.875 363 H THR 49 HN THR 49 6.236 10.741 -1.020 364 HA THR 49 HA THR 49 9.008 10.513 0.086 365 HB THR 49 HB THR 49 7.562 11.658 1.720 366 HG1 THR 49 HG1 THR 49 8.818 10.422 2.886 367 1HG2 THR 49 HG21 THR 49 5.373 11.165 1.879 368 2HG2 THR 49 HG22 THR 49 5.762 9.519 2.380 369 3HG2 THR 49 HG23 THR 49 5.585 9.900 0.666 370 H LYS 50 HN LYS 50 7.712 9.062 -2.074 371 HA LYS 50 HA LYS 50 7.373 6.861 -2.813 372 1HB LYS 50 HB2 LYS 50 8.850 6.282 -0.223 373 2HB LYS 50 HB1 LYS 50 8.685 5.171 -1.581 374 1HG LYS 50 HG2 LYS 50 9.893 6.738 -3.037 375 2HG LYS 50 HG1 LYS 50 10.030 7.887 -1.706 376 1HD LYS 50 HD2 LYS 50 11.155 5.071 -1.658 377 2HD LYS 50 HD1 LYS 50 12.098 6.516 -2.022 378 1HE LYS 50 HE2 LYS 50 10.831 7.222 0.340 379 2HE LYS 50 HE1 LYS 50 11.194 5.502 0.583 380 1HZ LYS 50 HZ1 LYS 50 13.455 5.994 -0.324 381 2HZ LYS 50 HZ2 LYS 50 13.134 6.707 1.184 382 3HZ LYS 50 HZ3 LYS 50 13.079 7.645 -0.231 383 H THR 51 HN THR 51 5.151 7.962 -1.494 384 HA THR 51 HA THR 51 4.150 5.915 0.408 385 HB THR 51 HB THR 51 3.016 8.506 -0.709 386 HG1 THR 51 HG1 THR 51 3.499 9.224 1.404 387 1HG2 THR 51 HG21 THR 51 1.933 6.526 1.299 388 2HG2 THR 51 HG22 THR 51 1.115 7.233 -0.094 389 3HG2 THR 51 HG23 THR 51 1.452 8.223 1.326 390 H TRP 52 HN TRP 52 1.893 5.054 -0.053 391 HA TRP 52 HA TRP 52 1.433 4.626 -2.988 392 1HB TRP 52 HB2 TRP 52 1.645 2.718 -0.668 393 2HB TRP 52 HB1 TRP 52 0.715 2.293 -2.100 394 HD1 TRP 52 HD1 TRP 52 4.242 2.637 -0.838 395 HE1 TRP 52 HE1 TRP 52 5.879 1.911 -2.698 396 HE3 TRP 52 HE3 TRP 52 0.997 2.258 -4.713 397 HZ2 TRP 52 HZ2 TRP 52 5.798 1.249 -5.496 398 HZ3 TRP 52 HZ3 TRP 52 1.776 1.578 -6.975 399 HH2 TRP 52 HH2 TRP 52 4.174 1.072 -7.367 400 H THR 53 HN THR 53 -0.847 3.216 -2.961 401 HA THR 53 HA THR 53 -2.778 4.280 -1.012 402 HB THR 53 HB THR 53 -3.214 4.894 -3.929 403 HG1 THR 53 HG1 THR 53 -1.500 6.117 -3.700 404 1HG2 THR 53 HG21 THR 53 -5.189 5.258 -2.758 405 2HG2 THR 53 HG22 THR 53 -4.441 6.853 -2.677 406 3HG2 THR 53 HG23 THR 53 -4.346 5.763 -1.294 407 H VAL 54 HN VAL 54 -5.072 3.519 -1.708 408 HA VAL 54 HA VAL 54 -5.407 1.339 -3.558 409 HB VAL 54 HB VAL 54 -3.964 0.086 -2.096 410 1HG1 VAL 54 HG11 VAL 54 -4.824 -0.050 0.422 411 2HG1 VAL 54 HG12 VAL 54 -5.431 1.558 0.033 412 3HG1 VAL 54 HG13 VAL 54 -3.712 1.206 -0.116 413 1HG2 VAL 54 HG21 VAL 54 -6.407 -0.847 -2.632 414 2HG2 VAL 54 HG22 VAL 54 -6.567 -0.750 -0.878 415 3HG2 VAL 54 HG23 VAL 54 -5.291 -1.741 -1.592 416 H THR 55 HN THR 55 -7.346 2.483 -3.989 417 HA THR 55 HA THR 55 -9.322 2.809 -1.786 418 HB THR 55 HB THR 55 -9.564 3.646 -4.682 419 HG1 THR 55 HG1 THR 55 -8.177 5.191 -4.349 420 1HG2 THR 55 HG21 THR 55 -11.229 5.051 -3.943 421 2HG2 THR 55 HG22 THR 55 -10.486 5.269 -2.358 422 3HG2 THR 55 HG23 THR 55 -11.381 3.792 -2.718 423 H GLU 56 HN GLU 56 -10.991 1.366 -1.578 424 HA GLU 56 HA GLU 56 -11.239 -0.998 -3.172 425 1HB GLU 56 HB2 GLU 56 -12.049 -0.406 -0.778 426 2HB GLU 56 HB1 GLU 56 -13.468 0.272 -1.576 427 1HG GLU 56 HG2 GLU 56 -13.354 -2.107 -2.842 428 2HG GLU 56 HG1 GLU 56 -12.623 -2.567 -1.303 Start of MODEL 38 1 1H THR 1 HT1 THR 1 15.473 0.580 4.622 2 2H THR 1 HT2 THR 1 15.612 2.045 5.471 3 3H THR 1 HT3 THR 1 16.515 1.791 4.054 4 HA THR 1 HA THR 1 14.541 3.260 3.734 5 HB THR 1 HB THR 1 15.677 2.051 1.926 6 HG1 THR 1 HG1 THR 1 13.854 1.823 0.557 7 1HG2 THR 1 HG21 THR 1 14.220 -0.210 1.395 8 2HG2 THR 1 HG22 THR 1 14.284 -0.238 3.156 9 3HG2 THR 1 HG23 THR 1 15.777 -0.199 2.221 10 H THR 2 HN THR 2 12.233 3.357 3.640 11 HA THR 2 HA THR 2 10.712 1.020 4.703 12 HB THR 2 HB THR 2 10.645 3.851 5.798 13 HG1 THR 2 HG1 THR 2 11.712 1.429 6.810 14 1HG2 THR 2 HG21 THR 2 8.500 2.474 5.849 15 2HG2 THR 2 HG22 THR 2 9.088 3.032 7.415 16 3HG2 THR 2 HG23 THR 2 9.351 1.360 6.920 17 H PHE 3 HN PHE 3 8.898 0.753 3.471 18 HA PHE 3 HA PHE 3 8.033 2.954 1.664 19 1HB PHE 3 HB2 PHE 3 7.343 0.001 1.866 20 2HB PHE 3 HB1 PHE 3 6.784 1.078 0.586 21 HD1 PHE 3 HD1 PHE 3 8.831 2.592 -0.418 22 HD2 PHE 3 HD2 PHE 3 9.189 -1.323 1.327 23 HE1 PHE 3 HE1 PHE 3 10.957 2.238 -1.643 24 HE2 PHE 3 HE2 PHE 3 11.314 -1.672 0.098 25 HZ PHE 3 HZ PHE 3 12.198 0.109 -1.384 26 H LYS 4 HN LYS 4 5.642 3.332 1.463 27 HA LYS 4 HA LYS 4 4.089 2.673 3.934 28 1HB LYS 4 HB2 LYS 4 5.237 4.904 4.096 29 2HB LYS 4 HB1 LYS 4 4.337 5.420 2.681 30 1HG LYS 4 HG2 LYS 4 2.220 5.065 3.823 31 2HG LYS 4 HG1 LYS 4 3.054 4.415 5.231 32 1HD LYS 4 HD2 LYS 4 3.757 6.482 5.945 33 2HD LYS 4 HD1 LYS 4 3.888 7.118 4.306 34 1HE LYS 4 HE2 LYS 4 1.835 8.062 4.480 35 2HE LYS 4 HE1 LYS 4 1.115 6.487 4.870 36 1HZ LYS 4 HZ1 LYS 4 0.906 8.093 6.708 37 2HZ LYS 4 HZ2 LYS 4 2.599 8.200 6.796 38 3HZ LYS 4 HZ3 LYS 4 1.819 6.732 7.145 39 H LEU 5 HN LEU 5 1.820 2.647 3.606 40 HA LEU 5 HA LEU 5 0.778 3.257 0.888 41 1HB LEU 5 HB2 LEU 5 1.582 0.751 1.430 42 2HB LEU 5 HB1 LEU 5 -0.016 0.670 2.161 43 HG LEU 5 HG LEU 5 -0.178 1.984 -0.422 44 1HD1 LEU 5 HD11 LEU 5 0.621 0.355 -1.905 45 2HD1 LEU 5 HD12 LEU 5 0.691 -0.891 -0.648 46 3HD1 LEU 5 HD13 LEU 5 1.889 0.408 -0.674 47 1HD2 LEU 5 HD21 LEU 5 -1.881 0.257 -0.803 48 2HD2 LEU 5 HD22 LEU 5 -2.045 0.918 0.824 49 3HD2 LEU 5 HD23 LEU 5 -1.289 -0.657 0.585 50 H ILE 6 HN ILE 6 -1.408 3.866 0.945 51 HA ILE 6 HA ILE 6 -2.629 4.064 3.675 52 HB ILE 6 HB ILE 6 -2.832 5.757 1.170 53 1HG1 ILE 6 HG12 ILE 6 -0.727 5.956 2.468 54 2HG1 ILE 6 HG11 ILE 6 -1.675 7.441 2.532 55 1HG2 ILE 6 HG21 ILE 6 -4.106 6.302 3.865 56 2HG2 ILE 6 HG22 ILE 6 -4.984 5.633 2.489 57 3HG2 ILE 6 HG23 ILE 6 -4.287 7.250 2.389 58 1HD1 ILE 6 HD11 ILE 6 -2.635 6.604 4.727 59 2HD1 ILE 6 HD12 ILE 6 -0.916 6.995 4.770 60 3HD1 ILE 6 HD13 ILE 6 -1.436 5.313 4.672 61 H ILE 7 HN ILE 7 -4.529 2.978 3.969 62 HA ILE 7 HA ILE 7 -5.720 1.452 1.766 63 HB ILE 7 HB ILE 7 -6.479 1.834 4.684 64 1HG1 ILE 7 HG12 ILE 7 -5.062 -0.525 3.428 65 2HG1 ILE 7 HG11 ILE 7 -4.173 0.848 4.088 66 1HG2 ILE 7 HG21 ILE 7 -7.621 -0.409 4.294 67 2HG2 ILE 7 HG22 ILE 7 -7.385 -0.135 2.568 68 3HG2 ILE 7 HG23 ILE 7 -8.387 0.971 3.507 69 1HD1 ILE 7 HD11 ILE 7 -5.789 -1.221 5.507 70 2HD1 ILE 7 HD12 ILE 7 -5.792 0.413 6.169 71 3HD1 ILE 7 HD13 ILE 7 -4.271 -0.460 5.983 72 H ASN 8 HN ASN 8 -7.089 2.501 0.378 73 HA ASN 8 HA ASN 8 -8.844 4.677 1.448 74 1HB ASN 8 HB2 ASN 8 -7.692 3.974 -1.258 75 2HB ASN 8 HB1 ASN 8 -9.009 5.136 -1.094 76 1HD2 ASN 8 HD21 ASN 8 -7.637 6.944 -1.745 77 2HD2 ASN 8 HD22 ASN 8 -6.424 7.550 -0.711 78 H GLY 9 HN GLY 9 -9.739 2.178 2.102 79 1HA GLY 9 HA2 GLY 9 -11.499 1.089 0.035 80 2HA GLY 9 HA1 GLY 9 -11.423 0.557 1.719 81 H LYS 10 HN LYS 10 -13.848 1.079 0.221 82 HA LYS 10 HA LYS 10 -15.056 3.580 0.649 83 1HB LYS 10 HB2 LYS 10 -16.191 0.769 0.739 84 2HB LYS 10 HB1 LYS 10 -17.170 2.228 0.577 85 1HG LYS 10 HG2 LYS 10 -15.814 2.809 -1.473 86 2HG LYS 10 HG1 LYS 10 -15.068 1.214 -1.355 87 1HD LYS 10 HD2 LYS 10 -16.849 0.836 -2.837 88 2HD LYS 10 HD1 LYS 10 -17.525 0.337 -1.286 89 1HE LYS 10 HE2 LYS 10 -19.022 2.067 -1.247 90 2HE LYS 10 HE1 LYS 10 -17.850 3.217 -1.921 91 1HZ LYS 10 HZ1 LYS 10 -19.145 1.024 -3.452 92 2HZ LYS 10 HZ2 LYS 10 -18.084 2.197 -4.073 93 3HZ LYS 10 HZ3 LYS 10 -19.623 2.650 -3.513 94 H THR 11 HN THR 11 -14.901 0.775 2.851 95 HA THR 11 HA THR 11 -15.892 2.544 5.066 96 HB THR 11 HB THR 11 -15.969 -0.476 4.962 97 HG1 THR 11 HG1 THR 11 -17.078 0.174 3.166 98 1HG2 THR 11 HG21 THR 11 -17.549 -0.292 6.684 99 2HG2 THR 11 HG22 THR 11 -17.930 1.383 6.284 100 3HG2 THR 11 HG23 THR 11 -16.402 0.991 7.073 101 H LEU 12 HN LEU 12 -13.361 0.345 4.009 102 HA LEU 12 HA LEU 12 -12.081 0.397 6.702 103 1HB LEU 12 HB2 LEU 12 -11.600 -1.159 4.142 104 2HB LEU 12 HB1 LEU 12 -10.623 -1.345 5.599 105 HG LEU 12 HG LEU 12 -13.591 -1.543 5.879 106 1HD1 LEU 12 HD11 LEU 12 -13.501 -3.948 5.296 107 2HD1 LEU 12 HD12 LEU 12 -11.826 -3.753 4.781 108 3HD1 LEU 12 HD13 LEU 12 -13.118 -2.935 3.904 109 1HD2 LEU 12 HD21 LEU 12 -11.160 -2.844 7.135 110 2HD2 LEU 12 HD22 LEU 12 -12.813 -3.329 7.513 111 3HD2 LEU 12 HD23 LEU 12 -12.267 -1.693 7.883 112 H LYS 13 HN LYS 13 -10.197 1.534 7.054 113 HA LYS 13 HA LYS 13 -8.545 2.500 4.802 114 1HB LYS 13 HB2 LYS 13 -10.304 4.211 6.560 115 2HB LYS 13 HB1 LYS 13 -8.850 4.883 5.821 116 1HG LYS 13 HG2 LYS 13 -9.807 3.825 3.618 117 2HG LYS 13 HG1 LYS 13 -11.339 3.850 4.492 118 1HD LYS 13 HD2 LYS 13 -10.919 6.296 4.977 119 2HD LYS 13 HD1 LYS 13 -9.548 6.211 3.870 120 1HE LYS 13 HE2 LYS 13 -10.950 5.735 1.998 121 2HE LYS 13 HE1 LYS 13 -12.339 5.367 3.041 122 1HZ LYS 13 HZ1 LYS 13 -10.976 8.001 2.835 123 2HZ LYS 13 HZ2 LYS 13 -12.285 7.643 3.857 124 3HZ LYS 13 HZ3 LYS 13 -12.490 7.623 2.171 125 H GLY 14 HN GLY 14 -6.802 4.115 5.953 126 1HA GLY 14 HA2 GLY 14 -5.934 4.296 8.442 127 2HA GLY 14 HA1 GLY 14 -5.733 2.557 8.238 128 H GLU 15 HN GLU 15 -3.413 2.976 8.580 129 HA GLU 15 HA GLU 15 -2.061 3.789 6.031 130 1HB GLU 15 HB2 GLU 15 -1.256 4.536 8.867 131 2HB GLU 15 HB1 GLU 15 -0.416 5.019 7.394 132 1HG GLU 15 HG2 GLU 15 -2.602 6.109 6.657 133 2HG GLU 15 HG1 GLU 15 -3.183 5.844 8.300 134 H THR 16 HN THR 16 0.057 2.741 5.760 135 HA THR 16 HA THR 16 0.886 0.709 7.734 136 HB THR 16 HB THR 16 -0.958 -0.379 6.530 137 HG1 THR 16 HG1 THR 16 0.510 -1.870 6.964 138 1HG2 THR 16 HG21 THR 16 0.646 0.426 4.092 139 2HG2 THR 16 HG22 THR 16 -1.038 0.806 4.462 140 3HG2 THR 16 HG23 THR 16 -0.578 -0.844 4.045 141 H THR 17 HN THR 17 3.031 0.024 7.399 142 HA THR 17 HA THR 17 4.445 1.019 4.958 143 HB THR 17 HB THR 17 6.269 1.776 6.520 144 HG1 THR 17 HG1 THR 17 5.725 1.930 8.704 145 1HG2 THR 17 HG21 THR 17 5.008 3.780 7.367 146 2HG2 THR 17 HG22 THR 17 3.517 2.996 6.844 147 3HG2 THR 17 HG23 THR 17 4.744 3.440 5.657 148 H THR 18 HN THR 18 6.479 -0.152 4.566 149 HA THR 18 HA THR 18 6.887 -2.606 6.182 150 HB THR 18 HB THR 18 5.638 -2.354 3.538 151 HG1 THR 18 HG1 THR 18 4.940 -3.596 5.358 152 1HG2 THR 18 HG21 THR 18 7.964 -4.295 3.734 153 2HG2 THR 18 HG22 THR 18 7.929 -2.842 2.733 154 3HG2 THR 18 HG23 THR 18 6.810 -4.167 2.404 155 H GLU 19 HN GLU 19 9.020 -3.600 5.681 156 HA GLU 19 HA GLU 19 10.989 -1.625 4.569 157 1HB GLU 19 HB2 GLU 19 10.949 -2.010 7.078 158 2HB GLU 19 HB1 GLU 19 11.402 -3.685 6.758 159 1HG GLU 19 HG2 GLU 19 13.280 -2.458 5.275 160 2HG GLU 19 HG1 GLU 19 13.019 -1.199 6.485 161 H ALA 20 HN ALA 20 11.775 -2.447 2.657 162 HA ALA 20 HA ALA 20 12.603 -5.298 2.544 163 1HB ALA 20 HB1 ALA 20 10.361 -3.981 1.054 164 2HB ALA 20 HB2 ALA 20 10.434 -5.598 1.755 165 3HB ALA 20 HB3 ALA 20 11.279 -5.252 0.246 166 H VAL 21 HN VAL 21 13.524 -5.687 0.199 167 HA VAL 21 HA VAL 21 15.772 -4.005 -0.226 168 HB VAL 21 HB VAL 21 15.964 -5.298 -2.340 169 1HG1 VAL 21 HG11 VAL 21 15.332 -6.548 0.284 170 2HG1 VAL 21 HG12 VAL 21 16.802 -6.642 -0.685 171 3HG1 VAL 21 HG13 VAL 21 15.403 -7.629 -1.107 172 1HG2 VAL 21 HG21 VAL 21 14.052 -7.068 -2.616 173 2HG2 VAL 21 HG22 VAL 21 13.795 -5.439 -3.237 174 3HG2 VAL 21 HG23 VAL 21 13.080 -5.917 -1.699 175 H ASP 22 HN ASP 22 12.574 -4.000 -1.783 176 HA ASP 22 HA ASP 22 12.977 -1.207 -2.651 177 1HB ASP 22 HB2 ASP 22 14.040 -2.592 -4.402 178 2HB ASP 22 HB1 ASP 22 12.547 -3.514 -4.580 179 H ALA 23 HN ALA 23 10.907 -0.345 -3.601 180 HA ALA 23 HA ALA 23 8.608 -1.038 -2.059 181 1HB ALA 23 HB1 ALA 23 8.628 1.124 -2.938 182 2HB ALA 23 HB2 ALA 23 7.519 0.325 -4.053 183 3HB ALA 23 HB3 ALA 23 9.201 0.583 -4.517 184 H ALA 24 HN ALA 24 9.841 -2.345 -5.066 185 HA ALA 24 HA ALA 24 7.468 -3.467 -6.179 186 1HB ALA 24 HB1 ALA 24 9.989 -3.285 -6.966 187 2HB ALA 24 HB2 ALA 24 8.977 -4.602 -7.558 188 3HB ALA 24 HB3 ALA 24 10.115 -4.888 -6.241 189 H THR 25 HN THR 25 9.790 -4.824 -3.821 190 HA THR 25 HA THR 25 8.287 -7.308 -3.489 191 HB THR 25 HB THR 25 10.605 -5.958 -2.079 192 HG1 THR 25 HG1 THR 25 11.590 -6.893 -3.650 193 1HG2 THR 25 HG21 THR 25 9.364 -7.359 -0.444 194 2HG2 THR 25 HG22 THR 25 10.952 -8.036 -0.823 195 3HG2 THR 25 HG23 THR 25 9.502 -8.733 -1.547 196 H ALA 26 HN ALA 26 8.728 -4.313 -1.569 197 HA ALA 26 HA ALA 26 7.167 -5.095 0.679 198 1HB ALA 26 HB1 ALA 26 7.708 -2.397 -0.606 199 2HB ALA 26 HB2 ALA 26 8.597 -3.138 0.725 200 3HB ALA 26 HB3 ALA 26 6.938 -2.582 0.975 201 H GLU 27 HN GLU 27 6.119 -2.754 -1.816 202 HA GLU 27 HA GLU 27 3.405 -2.619 -1.342 203 1HB GLU 27 HB2 GLU 27 4.687 -1.371 -3.053 204 2HB GLU 27 HB1 GLU 27 4.814 -2.835 -4.026 205 1HG GLU 27 HG2 GLU 27 2.165 -2.812 -3.789 206 2HG GLU 27 HG1 GLU 27 2.435 -1.089 -3.529 207 H LYS 28 HN LYS 28 5.113 -5.286 -2.860 208 HA LYS 28 HA LYS 28 2.827 -6.735 -3.873 209 1HB LYS 28 HB2 LYS 28 4.806 -7.515 -4.778 210 2HB LYS 28 HB1 LYS 28 5.738 -7.085 -3.358 211 1HG LYS 28 HG2 LYS 28 4.581 -9.178 -2.271 212 2HG LYS 28 HG1 LYS 28 4.250 -9.634 -3.942 213 1HD LYS 28 HD2 LYS 28 6.543 -9.757 -4.482 214 2HD LYS 28 HD1 LYS 28 7.018 -8.793 -3.079 215 1HE LYS 28 HE2 LYS 28 6.513 -10.605 -1.565 216 2HE LYS 28 HE1 LYS 28 5.750 -11.549 -2.861 217 1HZ LYS 28 HZ1 LYS 28 8.067 -12.220 -2.489 218 2HZ LYS 28 HZ2 LYS 28 8.582 -10.641 -2.847 219 3HZ LYS 28 HZ3 LYS 28 7.838 -11.589 -4.046 220 H VAL 29 HN VAL 29 4.692 -6.956 -0.833 221 HA VAL 29 HA VAL 29 2.976 -8.902 0.453 222 HB VAL 29 HB VAL 29 5.065 -6.871 1.289 223 1HG1 VAL 29 HG11 VAL 29 3.434 -6.982 3.156 224 2HG1 VAL 29 HG12 VAL 29 4.974 -7.729 3.594 225 3HG1 VAL 29 HG13 VAL 29 3.592 -8.742 3.174 226 1HG2 VAL 29 HG21 VAL 29 6.273 -8.968 1.927 227 2HG2 VAL 29 HG22 VAL 29 5.857 -8.902 0.214 228 3HG2 VAL 29 HG23 VAL 29 4.904 -9.897 1.315 229 H LEU 30 HN LEU 30 2.998 -5.360 0.217 230 HA LEU 30 HA LEU 30 1.015 -4.860 2.228 231 1HB LEU 30 HB2 LEU 30 2.002 -3.422 -0.243 232 2HB LEU 30 HB1 LEU 30 0.747 -2.723 0.763 233 HG LEU 30 HG LEU 30 3.311 -2.119 1.135 234 1HD1 LEU 30 HD11 LEU 30 1.276 -2.610 3.305 235 2HD1 LEU 30 HD12 LEU 30 1.617 -1.101 2.455 236 3HD1 LEU 30 HD13 LEU 30 2.809 -1.770 3.579 237 1HD2 LEU 30 HD21 LEU 30 4.080 -3.446 3.198 238 2HD2 LEU 30 HD22 LEU 30 4.344 -4.161 1.622 239 3HD2 LEU 30 HD23 LEU 30 3.021 -4.720 2.638 240 H LYS 31 HN LYS 31 0.881 -5.753 -1.175 241 HA LYS 31 HA LYS 31 -1.922 -5.330 -1.681 242 1HB LYS 31 HB2 LYS 31 0.189 -6.074 -3.167 243 2HB LYS 31 HB1 LYS 31 -0.379 -7.676 -2.759 244 1HG LYS 31 HG2 LYS 31 -2.252 -5.582 -3.866 245 2HG LYS 31 HG1 LYS 31 -1.311 -6.631 -4.924 246 1HD LYS 31 HD2 LYS 31 -3.273 -7.550 -2.797 247 2HD LYS 31 HD1 LYS 31 -3.539 -7.596 -4.538 248 1HE LYS 31 HE2 LYS 31 -1.065 -8.902 -4.124 249 2HE LYS 31 HE1 LYS 31 -2.162 -9.530 -2.872 250 1HZ LYS 31 HZ1 LYS 31 -3.841 -9.908 -4.563 251 2HZ LYS 31 HZ2 LYS 31 -2.417 -10.738 -4.977 252 3HZ LYS 31 HZ3 LYS 31 -2.819 -9.288 -5.767 253 H GLN 32 HN GLN 32 -0.048 -8.092 -0.478 254 HA GLN 32 HA GLN 32 -2.119 -9.999 -0.139 255 1HB GLN 32 HB2 GLN 32 0.571 -9.420 0.971 256 2HB GLN 32 HB1 GLN 32 -0.439 -10.534 1.894 257 1HG GLN 32 HG2 GLN 32 -0.858 -11.542 -0.559 258 2HG GLN 32 HG1 GLN 32 0.750 -10.862 -0.813 259 1HE2 GLN 32 HE21 GLN 32 -1.058 -13.022 1.428 260 2HE2 GLN 32 HE22 GLN 32 0.301 -13.960 1.857 261 H TYR 33 HN TYR 33 -0.986 -7.405 2.011 262 HA TYR 33 HA TYR 33 -2.686 -7.972 4.271 263 1HB TYR 33 HB2 TYR 33 -0.731 -6.500 4.361 264 2HB TYR 33 HB1 TYR 33 -1.455 -5.413 3.175 265 HD1 TYR 33 HD1 TYR 33 -1.861 -6.828 6.575 266 HD2 TYR 33 HD2 TYR 33 -2.992 -3.725 3.836 267 HE1 TYR 33 HE1 TYR 33 -3.019 -5.645 8.405 268 HE2 TYR 33 HE2 TYR 33 -4.149 -2.529 5.671 269 HH TYR 33 HH TYR 33 -3.695 -2.700 8.556 270 H ILE 34 HN ILE 34 -3.076 -6.009 1.347 271 HA ILE 34 HA ILE 34 -5.666 -4.896 1.971 272 HB ILE 34 HB ILE 34 -4.252 -5.494 -0.647 273 1HG1 ILE 34 HG12 ILE 34 -3.119 -4.022 1.169 274 2HG1 ILE 34 HG11 ILE 34 -3.203 -3.392 -0.469 275 1HG2 ILE 34 HG21 ILE 34 -5.683 -3.636 -1.545 276 2HG2 ILE 34 HG22 ILE 34 -6.595 -3.678 -0.036 277 3HG2 ILE 34 HG23 ILE 34 -6.587 -5.084 -1.101 278 1HD1 ILE 34 HD11 ILE 34 -3.900 -1.902 1.616 279 2HD1 ILE 34 HD12 ILE 34 -5.435 -2.750 1.421 280 3HD1 ILE 34 HD13 ILE 34 -4.780 -1.793 0.092 281 H ASN 35 HN ASN 35 -4.570 -7.950 0.612 282 HA ASN 35 HA ASN 35 -6.943 -8.877 -0.646 283 1HB ASN 35 HB2 ASN 35 -4.587 -9.843 -0.639 284 2HB ASN 35 HB1 ASN 35 -4.956 -10.519 0.948 285 1HD2 ASN 35 HD21 ASN 35 -4.581 -11.780 -1.885 286 2HD2 ASN 35 HD22 ASN 35 -5.931 -12.798 -2.037 287 H ASP 36 HN ASP 36 -6.066 -8.681 2.755 288 HA ASP 36 HA ASP 36 -8.210 -10.437 3.695 289 1HB ASP 36 HB2 ASP 36 -6.169 -8.569 4.888 290 2HB ASP 36 HB1 ASP 36 -7.443 -9.247 5.902 291 H ASN 37 HN ASN 37 -7.612 -6.905 3.900 292 HA ASN 37 HA ASN 37 -10.146 -6.197 5.014 293 1HB ASN 37 HB2 ASN 37 -8.245 -4.671 3.199 294 2HB ASN 37 HB1 ASN 37 -9.519 -3.934 4.178 295 1HD2 ASN 37 HD21 ASN 37 -8.778 -3.167 6.151 296 2HD2 ASN 37 HD22 ASN 37 -7.454 -3.803 7.019 297 H GLY 38 HN GLY 38 -9.107 -6.732 1.677 298 1HA GLY 38 HA2 GLY 38 -10.515 -7.283 -0.163 299 2HA GLY 38 HA1 GLY 38 -11.920 -6.871 0.821 300 H ILE 39 HN ILE 39 -9.083 -4.820 0.280 301 HA ILE 39 HA ILE 39 -10.863 -2.882 -1.168 302 HB ILE 39 HB ILE 39 -8.582 -2.390 0.779 303 1HG1 ILE 39 HG12 ILE 39 -10.609 -3.264 1.884 304 2HG1 ILE 39 HG11 ILE 39 -10.365 -1.562 2.287 305 1HG2 ILE 39 HG21 ILE 39 -8.670 -0.577 -0.800 306 2HG2 ILE 39 HG22 ILE 39 -9.459 -0.015 0.673 307 3HG2 ILE 39 HG23 ILE 39 -10.430 -0.510 -0.713 308 1HD1 ILE 39 HD11 ILE 39 -12.570 -2.837 0.825 309 2HD1 ILE 39 HD12 ILE 39 -11.912 -1.430 -0.009 310 3HD1 ILE 39 HD13 ILE 39 -12.519 -1.274 1.639 311 H ASP 40 HN ASP 40 -9.915 -4.179 -3.081 312 HA ASP 40 HA ASP 40 -7.189 -3.141 -3.798 313 1HB ASP 40 HB2 ASP 40 -7.392 -5.598 -3.446 314 2HB ASP 40 HB1 ASP 40 -8.644 -5.654 -4.692 315 H GLY 41 HN GLY 41 -7.485 -1.457 -5.221 316 1HA GLY 41 HA2 GLY 41 -9.247 -1.919 -7.568 317 2HA GLY 41 HA1 GLY 41 -9.509 -0.457 -6.613 318 H GLU 42 HN GLU 42 -7.815 1.151 -6.566 319 HA GLU 42 HA GLU 42 -5.747 0.839 -8.720 320 1HB GLU 42 HB2 GLU 42 -7.994 2.696 -8.398 321 2HB GLU 42 HB1 GLU 42 -6.462 3.538 -8.625 322 1HG GLU 42 HG2 GLU 42 -6.193 2.767 -10.764 323 2HG GLU 42 HG1 GLU 42 -6.956 1.215 -10.412 324 H TRP 43 HN TRP 43 -3.752 1.050 -7.804 325 HA TRP 43 HA TRP 43 -3.448 2.548 -5.245 326 1HB TRP 43 HB2 TRP 43 -1.662 0.695 -6.857 327 2HB TRP 43 HB1 TRP 43 -1.151 1.484 -5.376 328 HD1 TRP 43 HD1 TRP 43 -4.712 0.064 -5.665 329 HE1 TRP 43 HE1 TRP 43 -4.905 -1.954 -4.096 330 HE3 TRP 43 HE3 TRP 43 0.136 -0.338 -4.172 331 HZ2 TRP 43 HZ2 TRP 43 -3.241 -3.513 -2.392 332 HZ3 TRP 43 HZ3 TRP 43 0.804 -2.091 -2.542 333 HH2 TRP 43 HH2 TRP 43 -0.872 -3.673 -1.655 334 H THR 44 HN THR 44 -1.465 3.978 -5.113 335 HA THR 44 HA THR 44 -0.486 5.078 -7.684 336 HB THR 44 HB THR 44 -1.155 7.368 -7.015 337 HG1 THR 44 HG1 THR 44 -2.518 7.607 -5.238 338 1HG2 THR 44 HG21 THR 44 -3.593 5.595 -6.872 339 2HG2 THR 44 HG22 THR 44 -2.661 5.773 -8.359 340 3HG2 THR 44 HG23 THR 44 -3.435 7.180 -7.630 341 H TYR 45 HN TYR 45 1.646 5.582 -7.456 342 HA TYR 45 HA TYR 45 2.921 5.290 -4.822 343 1HB TYR 45 HB2 TYR 45 3.839 4.308 -6.893 344 2HB TYR 45 HB1 TYR 45 3.977 5.914 -7.605 345 HD1 TYR 45 HD1 TYR 45 6.114 6.816 -7.592 346 HD2 TYR 45 HD2 TYR 45 4.905 4.266 -4.355 347 HE1 TYR 45 HE1 TYR 45 8.341 7.096 -6.540 348 HE2 TYR 45 HE2 TYR 45 7.133 4.543 -3.304 349 HH TYR 45 HH TYR 45 9.785 5.941 -4.960 350 H ASP 46 HN ASP 46 4.535 6.993 -4.109 351 HA ASP 46 HA ASP 46 3.867 9.763 -5.015 352 1HB ASP 46 HB2 ASP 46 3.994 8.834 -2.122 353 2HB ASP 46 HB1 ASP 46 3.603 10.457 -2.682 354 H ASP 47 HN ASP 47 5.740 10.874 -5.371 355 HA ASP 47 HA ASP 47 8.338 9.734 -4.771 356 1HB ASP 47 HB2 ASP 47 7.771 11.149 -6.736 357 2HB ASP 47 HB1 ASP 47 7.524 12.521 -5.655 358 H ALA 48 HN ALA 48 6.157 11.481 -2.814 359 HA ALA 48 HA ALA 48 7.766 13.265 -1.325 360 1HB ALA 48 HB1 ALA 48 5.332 11.573 -0.845 361 2HB ALA 48 HB2 ALA 48 5.479 13.333 -0.874 362 3HB ALA 48 HB3 ALA 48 6.050 12.424 0.526 363 H THR 49 HN THR 49 6.795 10.065 -0.089 364 HA THR 49 HA THR 49 9.581 9.630 0.924 365 HB THR 49 HB THR 49 8.139 10.607 2.687 366 HG1 THR 49 HG1 THR 49 9.506 9.213 3.582 367 1HG2 THR 49 HG21 THR 49 6.173 9.255 3.475 368 2HG2 THR 49 HG22 THR 49 6.368 8.232 2.049 369 3HG2 THR 49 HG23 THR 49 5.957 9.938 1.862 370 H LYS 50 HN LYS 50 8.298 8.472 -1.390 371 HA LYS 50 HA LYS 50 7.896 6.384 -2.382 372 1HB LYS 50 HB2 LYS 50 9.278 5.455 0.158 373 2HB LYS 50 HB1 LYS 50 9.092 4.502 -1.312 374 1HG LYS 50 HG2 LYS 50 10.752 5.614 -2.403 375 2HG LYS 50 HG1 LYS 50 10.291 7.174 -1.722 376 1HD LYS 50 HD2 LYS 50 12.474 6.566 -0.847 377 2HD LYS 50 HD1 LYS 50 11.294 6.456 0.461 378 1HE LYS 50 HE2 LYS 50 11.082 3.969 -0.112 379 2HE LYS 50 HE1 LYS 50 12.531 4.183 -1.116 380 1HZ LYS 50 HZ1 LYS 50 13.005 3.562 1.240 381 2HZ LYS 50 HZ2 LYS 50 12.350 5.056 1.716 382 3HZ LYS 50 HZ3 LYS 50 13.740 5.006 0.740 383 H THR 51 HN THR 51 5.730 7.473 -0.950 384 HA THR 51 HA THR 51 4.549 5.395 0.769 385 HB THR 51 HB THR 51 2.996 7.675 -0.409 386 HG1 THR 51 HG1 THR 51 4.654 8.910 0.042 387 1HG2 THR 51 HG21 THR 51 3.116 7.404 2.488 388 2HG2 THR 51 HG22 THR 51 2.657 5.888 1.710 389 3HG2 THR 51 HG23 THR 51 1.717 7.351 1.417 390 H TRP 52 HN TRP 52 1.948 5.246 -0.027 391 HA TRP 52 HA TRP 52 1.776 4.615 -2.910 392 1HB TRP 52 HB2 TRP 52 1.834 2.614 -0.657 393 2HB TRP 52 HB1 TRP 52 0.984 2.262 -2.156 394 HD1 TRP 52 HD1 TRP 52 4.442 2.551 -0.687 395 HE1 TRP 52 HE1 TRP 52 6.177 1.862 -2.473 396 HE3 TRP 52 HE3 TRP 52 1.405 2.239 -4.731 397 HZ2 TRP 52 HZ2 TRP 52 6.243 1.252 -5.280 398 HZ3 TRP 52 HZ3 TRP 52 2.302 1.602 -6.961 399 HH2 TRP 52 HH2 TRP 52 4.719 1.106 -7.236 400 H THR 53 HN THR 53 -0.534 3.259 -3.033 401 HA THR 53 HA THR 53 -2.524 4.293 -1.128 402 HB THR 53 HB THR 53 -2.753 5.060 -4.044 403 HG1 THR 53 HG1 THR 53 -1.996 7.137 -3.281 404 1HG2 THR 53 HG21 THR 53 -4.829 5.375 -3.062 405 2HG2 THR 53 HG22 THR 53 -4.086 6.946 -2.762 406 3HG2 THR 53 HG23 THR 53 -4.141 5.737 -1.479 407 H VAL 54 HN VAL 54 -4.803 3.603 -1.952 408 HA VAL 54 HA VAL 54 -5.027 1.449 -3.879 409 HB VAL 54 HB VAL 54 -3.762 0.218 -2.220 410 1HG1 VAL 54 HG11 VAL 54 -5.188 0.150 0.134 411 2HG1 VAL 54 HG12 VAL 54 -5.369 1.829 -0.369 412 3HG1 VAL 54 HG13 VAL 54 -3.762 1.141 -0.163 413 1HG2 VAL 54 HG21 VAL 54 -5.154 -1.611 -1.927 414 2HG2 VAL 54 HG22 VAL 54 -6.097 -0.709 -3.120 415 3HG2 VAL 54 HG23 VAL 54 -6.519 -0.617 -1.410 416 H THR 55 HN THR 55 -6.865 2.712 -4.491 417 HA THR 55 HA THR 55 -9.032 3.140 -2.509 418 HB THR 55 HB THR 55 -9.039 3.828 -5.451 419 HG1 THR 55 HG1 THR 55 -7.340 4.981 -5.069 420 1HG2 THR 55 HG21 THR 55 -10.084 5.386 -3.082 421 2HG2 THR 55 HG22 THR 55 -11.048 4.156 -3.899 422 3HG2 THR 55 HG23 THR 55 -10.506 5.582 -4.783 423 H GLU 56 HN GLU 56 -10.882 1.893 -2.477 424 HA GLU 56 HA GLU 56 -11.034 -0.632 -3.804 425 1HB GLU 56 HB2 GLU 56 -12.245 0.486 -1.710 426 2HB GLU 56 HB1 GLU 56 -13.491 0.831 -2.909 427 1HG GLU 56 HG2 GLU 56 -12.317 -1.933 -2.675 428 2HG GLU 56 HG1 GLU 56 -13.624 -1.419 -1.606 Start of MODEL 39 1 1H THR 1 HT1 THR 1 15.844 3.284 3.013 2 2H THR 1 HT2 THR 1 14.714 2.206 2.343 3 3H THR 1 HT3 THR 1 15.359 1.914 3.888 4 HA THR 1 HA THR 1 14.257 3.886 4.760 5 HB THR 1 HB THR 1 13.122 4.075 1.955 6 HG1 THR 1 HG1 THR 1 14.921 4.995 1.456 7 1HG2 THR 1 HG21 THR 1 11.650 5.216 3.348 8 2HG2 THR 1 HG22 THR 1 12.785 6.499 2.930 9 3HG2 THR 1 HG23 THR 1 12.919 5.675 4.483 10 H THR 2 HN THR 2 11.798 3.938 5.132 11 HA THR 2 HA THR 2 10.734 1.156 4.924 12 HB THR 2 HB THR 2 9.694 3.459 6.587 13 HG1 THR 2 HG1 THR 2 11.436 3.341 7.719 14 1HG2 THR 2 HG21 THR 2 9.770 0.547 7.327 15 2HG2 THR 2 HG22 THR 2 8.515 1.151 6.246 16 3HG2 THR 2 HG23 THR 2 8.662 1.804 7.877 17 H PHE 3 HN PHE 3 9.282 0.833 3.297 18 HA PHE 3 HA PHE 3 8.027 2.962 1.801 19 1HB PHE 3 HB2 PHE 3 7.455 -0.013 2.033 20 2HB PHE 3 HB1 PHE 3 6.817 1.035 0.765 21 HD1 PHE 3 HD1 PHE 3 8.897 2.704 -0.132 22 HD2 PHE 3 HD2 PHE 3 9.210 -1.350 1.271 23 HE1 PHE 3 HE1 PHE 3 10.991 2.414 -1.426 24 HE2 PHE 3 HE2 PHE 3 11.304 -1.633 -0.024 25 HZ PHE 3 HZ PHE 3 12.195 0.248 -1.371 26 H LYS 4 HN LYS 4 5.612 3.213 1.630 27 HA LYS 4 HA LYS 4 4.115 2.504 4.115 28 1HB LYS 4 HB2 LYS 4 5.253 4.763 4.284 29 2HB LYS 4 HB1 LYS 4 4.264 5.289 2.933 30 1HG LYS 4 HG2 LYS 4 2.220 4.778 4.200 31 2HG LYS 4 HG1 LYS 4 3.196 4.233 5.563 32 1HD LYS 4 HD2 LYS 4 3.788 6.362 6.171 33 2HD LYS 4 HD1 LYS 4 3.797 6.945 4.507 34 1HE LYS 4 HE2 LYS 4 1.815 7.945 5.052 35 2HE LYS 4 HE1 LYS 4 1.118 6.317 4.919 36 1HZ LYS 4 HZ1 LYS 4 1.713 5.923 7.238 37 2HZ LYS 4 HZ2 LYS 4 0.667 7.255 7.100 38 3HZ LYS 4 HZ3 LYS 4 2.327 7.499 7.366 39 H LEU 5 HN LEU 5 1.808 2.578 3.818 40 HA LEU 5 HA LEU 5 0.736 3.226 1.134 41 1HB LEU 5 HB2 LEU 5 1.630 0.730 1.481 42 2HB LEU 5 HB1 LEU 5 0.075 0.535 2.279 43 HG LEU 5 HG LEU 5 -0.231 1.991 -0.226 44 1HD1 LEU 5 HD11 LEU 5 1.830 0.408 -0.611 45 2HD1 LEU 5 HD12 LEU 5 0.534 0.461 -1.812 46 3HD1 LEU 5 HD13 LEU 5 0.606 -0.866 -0.641 47 1HD2 LEU 5 HD21 LEU 5 -1.912 0.210 -0.613 48 2HD2 LEU 5 HD22 LEU 5 -2.062 0.900 1.003 49 3HD2 LEU 5 HD23 LEU 5 -1.290 -0.671 0.783 50 H ILE 6 HN ILE 6 -1.408 3.891 1.297 51 HA ILE 6 HA ILE 6 -2.625 3.808 4.032 52 HB ILE 6 HB ILE 6 -2.925 5.673 1.660 53 1HG1 ILE 6 HG12 ILE 6 -0.792 5.837 2.920 54 2HG1 ILE 6 HG11 ILE 6 -1.778 7.285 3.116 55 1HG2 ILE 6 HG21 ILE 6 -4.166 7.086 3.441 56 2HG2 ILE 6 HG22 ILE 6 -4.349 5.567 4.319 57 3HG2 ILE 6 HG23 ILE 6 -5.045 5.743 2.708 58 1HD1 ILE 6 HD11 ILE 6 -1.624 7.001 5.347 59 2HD1 ILE 6 HD12 ILE 6 -0.823 5.445 5.136 60 3HD1 ILE 6 HD13 ILE 6 -2.584 5.531 5.176 61 H ILE 7 HN ILE 7 -4.521 2.696 4.271 62 HA ILE 7 HA ILE 7 -5.694 1.307 1.957 63 HB ILE 7 HB ILE 7 -6.399 1.372 4.912 64 1HG1 ILE 7 HG12 ILE 7 -4.889 -0.778 3.410 65 2HG1 ILE 7 HG11 ILE 7 -4.061 0.558 4.211 66 1HG2 ILE 7 HG21 ILE 7 -8.294 0.487 3.833 67 2HG2 ILE 7 HG22 ILE 7 -7.352 -0.953 4.218 68 3HG2 ILE 7 HG23 ILE 7 -7.330 -0.296 2.581 69 1HD1 ILE 7 HD11 ILE 7 -5.539 -0.130 6.272 70 2HD1 ILE 7 HD12 ILE 7 -4.083 -1.053 5.900 71 3HD1 ILE 7 HD13 ILE 7 -5.665 -1.672 5.425 72 H ASN 8 HN ASN 8 -7.071 2.520 0.704 73 HA ASN 8 HA ASN 8 -8.864 4.513 2.017 74 1HB ASN 8 HB2 ASN 8 -7.802 4.013 -0.763 75 2HB ASN 8 HB1 ASN 8 -9.194 5.066 -0.516 76 1HD2 ASN 8 HD21 ASN 8 -7.451 6.668 -1.452 77 2HD2 ASN 8 HD22 ASN 8 -6.472 7.462 -0.302 78 H GLY 9 HN GLY 9 -9.681 1.974 2.583 79 1HA GLY 9 HA2 GLY 9 -11.555 0.992 0.547 80 2HA GLY 9 HA1 GLY 9 -11.322 0.309 2.161 81 H LYS 10 HN LYS 10 -13.798 1.210 0.627 82 HA LYS 10 HA LYS 10 -14.953 3.536 1.710 83 1HB LYS 10 HB2 LYS 10 -16.199 0.874 0.963 84 2HB LYS 10 HB1 LYS 10 -17.089 2.387 1.137 85 1HG LYS 10 HG2 LYS 10 -15.309 3.303 -0.568 86 2HG LYS 10 HG1 LYS 10 -15.094 1.598 -0.966 87 1HD LYS 10 HD2 LYS 10 -17.167 1.418 -1.920 88 2HD LYS 10 HD1 LYS 10 -17.903 2.546 -0.781 89 1HE LYS 10 HE2 LYS 10 -17.377 4.396 -2.065 90 2HE LYS 10 HE1 LYS 10 -15.904 3.650 -2.718 91 1HZ LYS 10 HZ1 LYS 10 -17.518 3.619 -4.444 92 2HZ LYS 10 HZ2 LYS 10 -18.717 2.999 -3.412 93 3HZ LYS 10 HZ3 LYS 10 -17.397 2.030 -3.864 94 H THR 11 HN THR 11 -14.648 0.302 3.110 95 HA THR 11 HA THR 11 -16.000 1.289 5.601 96 HB THR 11 HB THR 11 -15.589 -1.568 4.688 97 HG1 THR 11 HG1 THR 11 -17.373 -1.409 3.540 98 1HG2 THR 11 HG21 THR 11 -16.239 -1.710 6.897 99 2HG2 THR 11 HG22 THR 11 -17.827 -1.608 6.136 100 3HG2 THR 11 HG23 THR 11 -17.098 -0.170 6.852 101 H LEU 12 HN LEU 12 -13.111 -0.199 4.258 102 HA LEU 12 HA LEU 12 -11.942 -0.414 7.012 103 1HB LEU 12 HB2 LEU 12 -11.254 -1.762 4.379 104 2HB LEU 12 HB1 LEU 12 -10.410 -2.043 5.902 105 HG LEU 12 HG LEU 12 -13.389 -2.347 5.850 106 1HD1 LEU 12 HD11 LEU 12 -13.313 -4.533 4.941 107 2HD1 LEU 12 HD12 LEU 12 -11.555 -4.612 5.059 108 3HD1 LEU 12 HD13 LEU 12 -12.312 -3.576 3.849 109 1HD2 LEU 12 HD21 LEU 12 -11.180 -3.907 7.226 110 2HD2 LEU 12 HD22 LEU 12 -12.905 -3.986 7.580 111 3HD2 LEU 12 HD23 LEU 12 -11.998 -2.517 7.938 112 H LYS 13 HN LYS 13 -9.933 0.585 7.403 113 HA LYS 13 HA LYS 13 -8.482 1.939 5.213 114 1HB LYS 13 HB2 LYS 13 -10.127 3.298 7.344 115 2HB LYS 13 HB1 LYS 13 -8.728 4.116 6.647 116 1HG LYS 13 HG2 LYS 13 -9.775 3.486 4.354 117 2HG LYS 13 HG1 LYS 13 -11.255 3.217 5.274 118 1HD LYS 13 HD2 LYS 13 -10.657 5.596 6.290 119 2HD LYS 13 HD1 LYS 13 -9.773 5.769 4.773 120 1HE LYS 13 HE2 LYS 13 -11.902 5.056 3.571 121 2HE LYS 13 HE1 LYS 13 -12.737 5.232 5.127 122 1HZ LYS 13 HZ1 LYS 13 -11.717 7.485 5.276 123 2HZ LYS 13 HZ2 LYS 13 -12.853 7.323 4.023 124 3HZ LYS 13 HZ3 LYS 13 -11.191 7.309 3.674 125 H GLY 14 HN GLY 14 -6.751 3.484 6.563 126 1HA GLY 14 HA2 GLY 14 -5.569 3.365 8.848 127 2HA GLY 14 HA1 GLY 14 -5.511 1.628 8.548 128 H GLU 15 HN GLU 15 -3.141 2.997 8.939 129 HA GLU 15 HA GLU 15 -1.979 3.343 6.198 130 1HB GLU 15 HB2 GLU 15 -0.959 4.157 8.944 131 2HB GLU 15 HB1 GLU 15 -0.228 4.594 7.402 132 1HG GLU 15 HG2 GLU 15 -1.531 6.438 7.418 133 2HG GLU 15 HG1 GLU 15 -2.905 5.373 7.131 134 H THR 16 HN THR 16 0.213 2.381 5.879 135 HA THR 16 HA THR 16 1.101 0.312 7.785 136 HB THR 16 HB THR 16 -0.751 -0.775 6.591 137 HG1 THR 16 HG1 THR 16 0.448 -2.521 5.784 138 1HG2 THR 16 HG21 THR 16 -0.367 -1.186 4.077 139 2HG2 THR 16 HG22 THR 16 0.776 0.157 4.152 140 3HG2 THR 16 HG23 THR 16 -0.924 0.418 4.551 141 H THR 17 HN THR 17 3.242 -0.375 7.360 142 HA THR 17 HA THR 17 4.590 0.749 4.936 143 HB THR 17 HB THR 17 6.472 1.367 6.530 144 HG1 THR 17 HG1 THR 17 4.428 1.029 8.463 145 1HG2 THR 17 HG21 THR 17 3.752 2.666 6.740 146 2HG2 THR 17 HG22 THR 17 5.110 3.149 5.724 147 3HG2 THR 17 HG23 THR 17 5.194 3.369 7.471 148 H THR 18 HN THR 18 6.611 -0.405 4.427 149 HA THR 18 HA THR 18 7.040 -2.951 5.890 150 HB THR 18 HB THR 18 5.724 -2.549 3.307 151 HG1 THR 18 HG1 THR 18 4.946 -3.928 4.853 152 1HG2 THR 18 HG21 THR 18 8.070 -4.477 3.278 153 2HG2 THR 18 HG22 THR 18 8.010 -2.944 2.406 154 3HG2 THR 18 HG23 THR 18 6.882 -4.237 1.994 155 H GLU 19 HN GLU 19 9.150 -3.951 5.215 156 HA GLU 19 HA GLU 19 11.116 -1.893 4.258 157 1HB GLU 19 HB2 GLU 19 11.212 -2.405 6.691 158 2HB GLU 19 HB1 GLU 19 11.441 -4.112 6.308 159 1HG GLU 19 HG2 GLU 19 13.411 -3.054 4.793 160 2HG GLU 19 HG1 GLU 19 13.354 -1.848 6.078 161 H ALA 20 HN ALA 20 11.844 -2.537 2.262 162 HA ALA 20 HA ALA 20 12.673 -5.363 1.869 163 1HB ALA 20 HB1 ALA 20 11.297 -5.018 -0.413 164 2HB ALA 20 HB2 ALA 20 10.360 -3.945 0.627 165 3HB ALA 20 HB3 ALA 20 10.535 -5.650 1.046 166 H VAL 21 HN VAL 21 13.563 -5.523 -0.519 167 HA VAL 21 HA VAL 21 15.795 -3.795 -0.817 168 HB VAL 21 HB VAL 21 15.952 -4.868 -3.053 169 1HG1 VAL 21 HG11 VAL 21 16.231 -7.078 -2.253 170 2HG1 VAL 21 HG12 VAL 21 14.914 -6.914 -1.091 171 3HG1 VAL 21 HG13 VAL 21 16.439 -6.070 -0.822 172 1HG2 VAL 21 HG21 VAL 21 14.041 -6.598 -3.487 173 2HG2 VAL 21 HG22 VAL 21 13.761 -4.911 -3.914 174 3HG2 VAL 21 HG23 VAL 21 13.082 -5.567 -2.425 175 H ASP 22 HN ASP 22 12.570 -3.649 -2.307 176 HA ASP 22 HA ASP 22 12.950 -0.779 -2.896 177 1HB ASP 22 HB2 ASP 22 13.956 -1.983 -4.809 178 2HB ASP 22 HB1 ASP 22 12.456 -2.883 -5.032 179 H ALA 23 HN ALA 23 10.854 0.175 -3.680 180 HA ALA 23 HA ALA 23 8.604 -0.675 -2.147 181 1HB ALA 23 HB1 ALA 23 7.484 0.861 -4.043 182 2HB ALA 23 HB2 ALA 23 9.177 1.222 -4.384 183 3HB ALA 23 HB3 ALA 23 8.511 1.547 -2.783 184 H ALA 24 HN ALA 24 9.730 -1.664 -5.315 185 HA ALA 24 HA ALA 24 7.314 -2.676 -6.445 186 1HB ALA 24 HB1 ALA 24 10.255 -3.277 -6.669 187 2HB ALA 24 HB2 ALA 24 9.178 -2.554 -7.865 188 3HB ALA 24 HB3 ALA 24 9.093 -4.285 -7.534 189 H THR 25 HN THR 25 9.739 -4.266 -4.352 190 HA THR 25 HA THR 25 8.276 -6.786 -4.219 191 HB THR 25 HB THR 25 10.603 -5.537 -2.729 192 HG1 THR 25 HG1 THR 25 10.786 -6.256 -4.950 193 1HG2 THR 25 HG21 THR 25 9.562 -8.374 -2.460 194 2HG2 THR 25 HG22 THR 25 9.427 -7.123 -1.220 195 3HG2 THR 25 HG23 THR 25 11.017 -7.726 -1.700 196 H ALA 26 HN ALA 26 8.713 -3.990 -2.023 197 HA ALA 26 HA ALA 26 7.239 -5.009 0.183 198 1HB ALA 26 HB1 ALA 26 8.615 -3.024 0.362 199 2HB ALA 26 HB2 ALA 26 6.951 -2.539 0.706 200 3HB ALA 26 HB3 ALA 26 7.668 -2.195 -0.874 201 H GLU 27 HN GLU 27 6.042 -2.504 -2.081 202 HA GLU 27 HA GLU 27 3.343 -2.485 -1.504 203 1HB GLU 27 HB2 GLU 27 4.522 -1.069 -3.155 204 2HB GLU 27 HB1 GLU 27 4.664 -2.449 -4.241 205 1HG GLU 27 HG2 GLU 27 2.012 -2.521 -3.889 206 2HG GLU 27 HG1 GLU 27 2.263 -0.806 -3.564 207 H LYS 28 HN LYS 28 5.063 -4.976 -3.281 208 HA LYS 28 HA LYS 28 2.789 -6.405 -4.339 209 1HB LYS 28 HB2 LYS 28 4.712 -7.135 -5.358 210 2HB LYS 28 HB1 LYS 28 5.714 -6.674 -3.997 211 1HG LYS 28 HG2 LYS 28 4.806 -8.818 -2.853 212 2HG LYS 28 HG1 LYS 28 4.272 -9.278 -4.471 213 1HD LYS 28 HD2 LYS 28 6.512 -9.201 -5.322 214 2HD LYS 28 HD1 LYS 28 7.109 -8.401 -3.864 215 1HE LYS 28 HE2 LYS 28 6.732 -10.401 -2.537 216 2HE LYS 28 HE1 LYS 28 5.925 -11.204 -3.899 217 1HZ LYS 28 HZ1 LYS 28 7.915 -11.089 -5.182 218 2HZ LYS 28 HZ2 LYS 28 8.322 -11.774 -3.682 219 3HZ LYS 28 HZ3 LYS 28 8.699 -10.150 -4.007 220 H VAL 29 HN VAL 29 4.691 -6.757 -1.340 221 HA VAL 29 HA VAL 29 3.047 -8.863 -0.197 222 HB VAL 29 HB VAL 29 5.127 -6.876 0.758 223 1HG1 VAL 29 HG11 VAL 29 3.536 -7.156 2.643 224 2HG1 VAL 29 HG12 VAL 29 5.094 -7.914 2.990 225 3HG1 VAL 29 HG13 VAL 29 3.715 -8.909 2.520 226 1HG2 VAL 29 HG21 VAL 29 6.031 -8.737 -0.425 227 2HG2 VAL 29 HG22 VAL 29 4.971 -9.874 0.407 228 3HG2 VAL 29 HG23 VAL 29 6.288 -9.094 1.282 229 H LEU 30 HN LEU 30 3.008 -5.315 -0.147 230 HA LEU 30 HA LEU 30 1.057 -5.019 1.939 231 1HB LEU 30 HB2 LEU 30 1.969 -3.350 -0.417 232 2HB LEU 30 HB1 LEU 30 0.740 -2.763 0.687 233 HG LEU 30 HG LEU 30 3.312 -2.167 1.030 234 1HD1 LEU 30 HD11 LEU 30 1.353 -2.867 3.214 235 2HD1 LEU 30 HD12 LEU 30 1.646 -1.286 2.483 236 3HD1 LEU 30 HD13 LEU 30 2.884 -2.030 3.506 237 1HD2 LEU 30 HD21 LEU 30 3.077 -4.880 2.337 238 2HD2 LEU 30 HD22 LEU 30 4.176 -3.655 2.927 239 3HD2 LEU 30 HD23 LEU 30 4.349 -4.259 1.292 240 H LYS 31 HN LYS 31 0.881 -5.573 -1.536 241 HA LYS 31 HA LYS 31 -1.935 -5.163 -1.961 242 1HB LYS 31 HB2 LYS 31 0.172 -5.738 -3.533 243 2HB LYS 31 HB1 LYS 31 -0.381 -7.375 -3.274 244 1HG LYS 31 HG2 LYS 31 -2.278 -5.197 -4.158 245 2HG LYS 31 HG1 LYS 31 -1.346 -6.141 -5.319 246 1HD LYS 31 HD2 LYS 31 -3.277 -7.260 -3.261 247 2HD LYS 31 HD1 LYS 31 -3.566 -7.148 -4.996 248 1HE LYS 31 HE2 LYS 31 -1.082 -8.475 -4.736 249 2HE LYS 31 HE1 LYS 31 -2.158 -9.218 -3.530 250 1HZ LYS 31 HZ1 LYS 31 -3.874 -9.399 -5.247 251 2HZ LYS 31 HZ2 LYS 31 -2.476 -10.257 -5.691 252 3HZ LYS 31 HZ3 LYS 31 -2.811 -8.748 -6.398 253 H GLN 32 HN GLN 32 -0.005 -7.993 -1.040 254 HA GLN 32 HA GLN 32 -2.047 -9.954 -0.857 255 1HB GLN 32 HB2 GLN 32 0.649 -9.443 0.288 256 2HB GLN 32 HB1 GLN 32 -0.335 -10.678 1.076 257 1HG GLN 32 HG2 GLN 32 -0.710 -11.725 -1.179 258 2HG GLN 32 HG1 GLN 32 0.454 -10.578 -1.844 259 1HE2 GLN 32 HE21 GLN 32 2.596 -11.272 -1.833 260 2HE2 GLN 32 HE22 GLN 32 3.215 -12.508 -0.833 261 H TYR 33 HN TYR 33 -0.899 -7.575 1.527 262 HA TYR 33 HA TYR 33 -2.553 -8.370 3.745 263 1HB TYR 33 HB2 TYR 33 -0.626 -6.884 3.951 264 2HB TYR 33 HB1 TYR 33 -1.369 -5.708 2.868 265 HD1 TYR 33 HD1 TYR 33 -1.751 -7.421 6.131 266 HD2 TYR 33 HD2 TYR 33 -2.897 -4.083 3.689 267 HE1 TYR 33 HE1 TYR 33 -2.904 -6.411 8.065 268 HE2 TYR 33 HE2 TYR 33 -4.048 -3.061 5.630 269 HH TYR 33 HH TYR 33 -3.531 -3.680 8.614 270 H ILE 34 HN ILE 34 -3.039 -6.159 1.020 271 HA ILE 34 HA ILE 34 -5.628 -5.148 1.803 272 HB ILE 34 HB ILE 34 -4.272 -5.480 -0.892 273 1HG1 ILE 34 HG12 ILE 34 -3.100 -4.170 1.012 274 2HG1 ILE 34 HG11 ILE 34 -3.258 -3.376 -0.547 275 1HG2 ILE 34 HG21 ILE 34 -5.789 -3.333 -1.282 276 2HG2 ILE 34 HG22 ILE 34 -6.785 -4.104 -0.048 277 3HG2 ILE 34 HG23 ILE 34 -6.418 -4.958 -1.547 278 1HD1 ILE 34 HD11 ILE 34 -5.023 -1.991 0.229 279 2HD1 ILE 34 HD12 ILE 34 -3.845 -1.996 1.543 280 3HD1 ILE 34 HD13 ILE 34 -5.294 -2.997 1.653 281 H ASN 35 HN ASN 35 -4.521 -8.043 0.141 282 HA ASN 35 HA ASN 35 -6.907 -8.890 -1.145 283 1HB ASN 35 HB2 ASN 35 -4.529 -9.809 -1.262 284 2HB ASN 35 HB1 ASN 35 -4.873 -10.648 0.251 285 1HD2 ASN 35 HD21 ASN 35 -5.272 -12.805 -0.289 286 2HD2 ASN 35 HD22 ASN 35 -6.291 -13.316 -1.547 287 H ASP 36 HN ASP 36 -5.961 -8.985 2.241 288 HA ASP 36 HA ASP 36 -8.049 -10.861 3.064 289 1HB ASP 36 HB2 ASP 36 -5.722 -10.219 4.108 290 2HB ASP 36 HB1 ASP 36 -6.631 -8.909 4.863 291 H ASN 37 HN ASN 37 -7.526 -7.353 3.622 292 HA ASN 37 HA ASN 37 -10.068 -6.814 4.805 293 1HB ASN 37 HB2 ASN 37 -8.178 -5.097 3.158 294 2HB ASN 37 HB1 ASN 37 -9.502 -4.460 4.141 295 1HD2 ASN 37 HD21 ASN 37 -8.080 -3.365 5.651 296 2HD2 ASN 37 HD22 ASN 37 -7.096 -4.228 6.744 297 H GLY 38 HN GLY 38 -9.030 -6.935 1.421 298 1HA GLY 38 HA2 GLY 38 -10.444 -7.359 -0.455 299 2HA GLY 38 HA1 GLY 38 -11.850 -7.066 0.569 300 H ILE 39 HN ILE 39 -9.082 -4.889 0.327 301 HA ILE 39 HA ILE 39 -10.893 -2.858 -0.944 302 HB ILE 39 HB ILE 39 -8.567 -2.532 0.985 303 1HG1 ILE 39 HG12 ILE 39 -10.549 -3.533 2.058 304 2HG1 ILE 39 HG11 ILE 39 -10.320 -1.871 2.610 305 1HG2 ILE 39 HG21 ILE 39 -10.490 -0.530 -0.232 306 2HG2 ILE 39 HG22 ILE 39 -8.739 -0.583 -0.436 307 3HG2 ILE 39 HG23 ILE 39 -9.431 -0.172 1.132 308 1HD1 ILE 39 HD11 ILE 39 -11.928 -1.540 0.386 309 2HD1 ILE 39 HD12 ILE 39 -12.500 -1.576 2.054 310 3HD1 ILE 39 HD13 ILE 39 -12.539 -3.043 1.077 311 H ASP 40 HN ASP 40 -9.983 -3.948 -2.997 312 HA ASP 40 HA ASP 40 -7.302 -2.781 -3.681 313 1HB ASP 40 HB2 ASP 40 -7.104 -4.740 -5.212 314 2HB ASP 40 HB1 ASP 40 -7.308 -5.235 -3.529 315 H GLY 41 HN GLY 41 -7.498 -1.154 -5.162 316 1HA GLY 41 HA2 GLY 41 -9.370 -1.460 -7.424 317 2HA GLY 41 HA1 GLY 41 -9.650 -0.068 -6.373 318 H GLU 42 HN GLU 42 -7.980 1.570 -6.245 319 HA GLU 42 HA GLU 42 -5.977 1.460 -8.478 320 1HB GLU 42 HB2 GLU 42 -8.252 3.218 -7.975 321 2HB GLU 42 HB1 GLU 42 -6.753 4.139 -8.093 322 1HG GLU 42 HG2 GLU 42 -6.442 3.619 -10.300 323 2HG GLU 42 HG1 GLU 42 -7.140 2.008 -10.128 324 H TRP 43 HN TRP 43 -3.960 1.589 -7.590 325 HA TRP 43 HA TRP 43 -3.587 2.916 -4.947 326 1HB TRP 43 HB2 TRP 43 -1.852 1.157 -6.714 327 2HB TRP 43 HB1 TRP 43 -1.300 1.851 -5.201 328 HD1 TRP 43 HD1 TRP 43 -4.869 0.450 -5.520 329 HE1 TRP 43 HE1 TRP 43 -5.043 -1.648 -4.059 330 HE3 TRP 43 HE3 TRP 43 -0.007 -0.015 -4.102 331 HZ2 TRP 43 HZ2 TRP 43 -3.357 -3.290 -2.455 332 HZ3 TRP 43 HZ3 TRP 43 0.684 -1.849 -2.574 333 HH2 TRP 43 HH2 TRP 43 -0.978 -3.482 -1.752 334 H THR 44 HN THR 44 -1.500 4.253 -4.801 335 HA THR 44 HA THR 44 -0.668 5.565 -7.326 336 HB THR 44 HB THR 44 -1.208 7.795 -6.404 337 HG1 THR 44 HG1 THR 44 -1.914 8.011 -4.430 338 1HG2 THR 44 HG21 THR 44 -2.874 6.414 -7.766 339 2HG2 THR 44 HG22 THR 44 -3.557 7.721 -6.799 340 3HG2 THR 44 HG23 THR 44 -3.672 6.054 -6.234 341 H TYR 45 HN TYR 45 1.495 5.983 -7.211 342 HA TYR 45 HA TYR 45 2.867 5.594 -4.599 343 1HB TYR 45 HB2 TYR 45 3.523 4.302 -6.611 344 2HB TYR 45 HB1 TYR 45 3.875 5.805 -7.459 345 HD1 TYR 45 HD1 TYR 45 6.158 6.156 -7.672 346 HD2 TYR 45 HD2 TYR 45 4.632 4.508 -4.010 347 HE1 TYR 45 HE1 TYR 45 8.442 6.173 -6.713 348 HE2 TYR 45 HE2 TYR 45 6.920 4.526 -3.049 349 HH TYR 45 HH TYR 45 9.039 5.619 -3.367 350 H ASP 46 HN ASP 46 4.635 7.152 -4.042 351 HA ASP 46 HA ASP 46 4.551 9.801 -5.370 352 1HB ASP 46 HB2 ASP 46 4.014 10.935 -3.257 353 2HB ASP 46 HB1 ASP 46 2.750 9.774 -3.651 354 H ASP 47 HN ASP 47 6.581 10.692 -5.384 355 HA ASP 47 HA ASP 47 8.801 9.220 -4.169 356 1HB ASP 47 HB2 ASP 47 8.811 10.236 -6.441 357 2HB ASP 47 HB1 ASP 47 8.702 11.834 -5.703 358 H ALA 48 HN ALA 48 6.709 11.397 -2.776 359 HA ALA 48 HA ALA 48 8.385 13.333 -1.507 360 1HB ALA 48 HB1 ALA 48 5.730 12.758 -1.609 361 2HB ALA 48 HB2 ALA 48 6.429 13.846 -0.410 362 3HB ALA 48 HB3 ALA 48 6.108 12.163 0.007 363 H THR 49 HN THR 49 7.253 10.157 -0.330 364 HA THR 49 HA THR 49 9.766 9.790 1.191 365 HB THR 49 HB THR 49 8.287 11.066 2.689 366 HG1 THR 49 HG1 THR 49 8.516 9.720 4.364 367 1HG2 THR 49 HG21 THR 49 6.242 9.666 1.417 368 2HG2 THR 49 HG22 THR 49 6.061 10.729 2.814 369 3HG2 THR 49 HG23 THR 49 6.267 8.994 3.048 370 H LYS 50 HN LYS 50 8.388 8.519 -1.097 371 HA LYS 50 HA LYS 50 7.906 6.375 -1.911 372 1HB LYS 50 HB2 LYS 50 9.271 5.542 0.669 373 2HB LYS 50 HB1 LYS 50 9.120 4.574 -0.793 374 1HG LYS 50 HG2 LYS 50 10.503 6.146 -2.040 375 2HG LYS 50 HG1 LYS 50 10.572 7.232 -0.654 376 1HD LYS 50 HD2 LYS 50 12.485 6.148 -0.108 377 2HD LYS 50 HD1 LYS 50 11.436 4.837 0.428 378 1HE LYS 50 HE2 LYS 50 12.815 3.688 -1.066 379 2HE LYS 50 HE1 LYS 50 11.520 4.195 -2.170 380 1HZ LYS 50 HZ1 LYS 50 13.610 4.878 -3.095 381 2HZ LYS 50 HZ2 LYS 50 14.071 5.626 -1.640 382 3HZ LYS 50 HZ3 LYS 50 12.791 6.263 -2.559 383 H THR 51 HN THR 51 5.651 7.396 -0.901 384 HA THR 51 HA THR 51 4.521 5.380 1.008 385 HB THR 51 HB THR 51 3.300 7.981 0.032 386 HG1 THR 51 HG1 THR 51 4.955 7.540 2.287 387 1HG2 THR 51 HG21 THR 51 2.627 5.928 2.028 388 2HG2 THR 51 HG22 THR 51 1.595 7.130 1.256 389 3HG2 THR 51 HG23 THR 51 2.575 7.576 2.653 390 H TRP 52 HN TRP 52 2.038 4.980 0.396 391 HA TRP 52 HA TRP 52 1.691 4.764 -2.560 392 1HB TRP 52 HB2 TRP 52 1.778 2.594 -0.473 393 2HB TRP 52 HB1 TRP 52 0.891 2.371 -1.975 394 HD1 TRP 52 HD1 TRP 52 4.397 2.525 -0.576 395 HE1 TRP 52 HE1 TRP 52 6.072 1.940 -2.451 396 HE3 TRP 52 HE3 TRP 52 1.249 2.525 -4.543 397 HZ2 TRP 52 HZ2 TRP 52 6.055 1.517 -5.293 398 HZ3 TRP 52 HZ3 TRP 52 2.074 2.025 -6.836 399 HH2 TRP 52 HH2 TRP 52 4.476 1.521 -7.212 400 H THR 53 HN THR 53 -0.631 3.432 -2.711 401 HA THR 53 HA THR 53 -2.571 4.341 -0.694 402 HB THR 53 HB THR 53 -2.804 5.324 -3.549 403 HG1 THR 53 HG1 THR 53 -1.758 6.671 -1.282 404 1HG2 THR 53 HG21 THR 53 -4.210 7.072 -2.198 405 2HG2 THR 53 HG22 THR 53 -4.223 5.826 -0.950 406 3HG2 THR 53 HG23 THR 53 -4.904 5.487 -2.542 407 H VAL 54 HN VAL 54 -4.871 3.698 -1.506 408 HA VAL 54 HA VAL 54 -5.145 1.715 -3.598 409 HB VAL 54 HB VAL 54 -3.832 0.317 -2.150 410 1HG1 VAL 54 HG11 VAL 54 -5.420 1.638 -0.004 411 2HG1 VAL 54 HG12 VAL 54 -3.696 1.285 -0.075 412 3HG1 VAL 54 HG13 VAL 54 -4.844 -0.002 0.287 413 1HG2 VAL 54 HG21 VAL 54 -6.227 -0.526 -2.928 414 2HG2 VAL 54 HG22 VAL 54 -6.543 -0.527 -1.193 415 3HG2 VAL 54 HG23 VAL 54 -5.230 -1.509 -1.850 416 H THR 55 HN THR 55 -7.036 2.905 -4.079 417 HA THR 55 HA THR 55 -9.136 3.197 -1.999 418 HB THR 55 HB THR 55 -9.218 4.039 -4.903 419 HG1 THR 55 HG1 THR 55 -8.288 6.017 -4.075 420 1HG2 THR 55 HG21 THR 55 -10.715 5.739 -4.101 421 2HG2 THR 55 HG22 THR 55 -10.333 5.363 -2.421 422 3HG2 THR 55 HG23 THR 55 -11.248 4.213 -3.396 423 H GLU 56 HN GLU 56 -10.910 1.858 -1.935 424 HA GLU 56 HA GLU 56 -11.067 -0.564 -3.446 425 1HB GLU 56 HB2 GLU 56 -12.116 0.167 -1.184 426 2HB GLU 56 HB1 GLU 56 -13.415 0.843 -2.168 427 1HG GLU 56 HG2 GLU 56 -12.486 -2.013 -2.501 428 2HG GLU 56 HG1 GLU 56 -13.735 -1.569 -1.337 Start of MODEL 40 1 1H THR 1 HT1 THR 1 15.502 2.573 4.197 2 2H THR 1 HT2 THR 1 15.195 4.072 4.937 3 3H THR 1 HT3 THR 1 16.225 3.982 3.589 4 HA THR 1 HA THR 1 14.006 4.852 2.999 5 HB THR 1 HB THR 1 13.760 3.100 1.145 6 HG1 THR 1 HG1 THR 1 15.235 1.443 1.172 7 1HG2 THR 1 HG21 THR 1 15.426 5.109 1.294 8 2HG2 THR 1 HG22 THR 1 15.683 3.876 0.059 9 3HG2 THR 1 HG23 THR 1 16.643 3.856 1.539 10 H THR 2 HN THR 2 11.890 4.756 3.625 11 HA THR 2 HA THR 2 10.799 2.125 4.579 12 HB THR 2 HB THR 2 9.936 4.872 5.499 13 HG1 THR 2 HG1 THR 2 11.723 5.015 6.556 14 1HG2 THR 2 HG21 THR 2 8.550 2.792 5.948 15 2HG2 THR 2 HG22 THR 2 9.049 3.685 7.385 16 3HG2 THR 2 HG23 THR 2 9.894 2.206 6.928 17 H PHE 3 HN PHE 3 9.192 1.418 3.245 18 HA PHE 3 HA PHE 3 7.960 3.167 1.247 19 1HB PHE 3 HB2 PHE 3 7.440 0.298 2.108 20 2HB PHE 3 HB1 PHE 3 6.807 1.046 0.641 21 HD1 PHE 3 HD1 PHE 3 8.903 2.508 -0.560 22 HD2 PHE 3 HD2 PHE 3 9.191 -1.171 1.646 23 HE1 PHE 3 HE1 PHE 3 11.010 1.960 -1.747 24 HE2 PHE 3 HE2 PHE 3 11.297 -1.716 0.458 25 HZ PHE 3 HZ PHE 3 12.207 -0.151 -1.238 26 H LYS 4 HN LYS 4 5.599 3.473 1.099 27 HA LYS 4 HA LYS 4 4.096 3.161 3.666 28 1HB LYS 4 HB2 LYS 4 5.230 5.440 3.381 29 2HB LYS 4 HB1 LYS 4 4.150 5.700 2.020 30 1HG LYS 4 HG2 LYS 4 2.198 5.362 3.476 31 2HG LYS 4 HG1 LYS 4 3.267 5.096 4.852 32 1HD LYS 4 HD2 LYS 4 3.823 7.315 5.029 33 2HD LYS 4 HD1 LYS 4 3.696 7.591 3.292 34 1HE LYS 4 HE2 LYS 4 1.722 8.626 3.814 35 2HE LYS 4 HE1 LYS 4 1.081 6.980 3.985 36 1HZ LYS 4 HZ1 LYS 4 2.365 8.597 6.124 37 2HZ LYS 4 HZ2 LYS 4 1.864 6.983 6.294 38 3HZ LYS 4 HZ3 LYS 4 0.718 8.207 6.021 39 H LEU 5 HN LEU 5 1.774 3.183 3.344 40 HA LEU 5 HA LEU 5 0.739 3.305 0.569 41 1HB LEU 5 HB2 LEU 5 1.619 0.924 1.411 42 2HB LEU 5 HB1 LEU 5 0.045 0.890 2.198 43 HG LEU 5 HG LEU 5 -0.206 1.845 -0.541 44 1HD1 LEU 5 HD11 LEU 5 0.584 0.043 -1.798 45 2HD1 LEU 5 HD12 LEU 5 0.658 -1.033 -0.391 46 3HD1 LEU 5 HD13 LEU 5 1.865 0.242 -0.596 47 1HD2 LEU 5 HD21 LEU 5 -1.294 -0.534 0.998 48 2HD2 LEU 5 HD22 LEU 5 -1.834 -0.070 -0.616 49 3HD2 LEU 5 HD23 LEU 5 -2.090 1.020 0.747 50 H ILE 6 HN ILE 6 -1.398 3.991 0.559 51 HA ILE 6 HA ILE 6 -2.675 4.434 3.233 52 HB ILE 6 HB ILE 6 -2.938 5.821 0.548 53 1HG1 ILE 6 HG12 ILE 6 -0.796 6.222 1.721 54 2HG1 ILE 6 HG11 ILE 6 -1.784 7.681 1.679 55 1HG2 ILE 6 HG21 ILE 6 -4.980 6.392 1.393 56 2HG2 ILE 6 HG22 ILE 6 -4.038 7.531 2.355 57 3HG2 ILE 6 HG23 ILE 6 -4.523 5.983 3.046 58 1HD1 ILE 6 HD11 ILE 6 -0.829 6.161 3.976 59 2HD1 ILE 6 HD12 ILE 6 -2.577 6.385 4.027 60 3HD1 ILE 6 HD13 ILE 6 -1.512 7.786 3.919 61 H ILE 7 HN ILE 7 -4.602 3.403 3.622 62 HA ILE 7 HA ILE 7 -5.722 1.602 1.585 63 HB ILE 7 HB ILE 7 -6.554 2.272 4.429 64 1HG1 ILE 7 HG12 ILE 7 -4.960 -0.101 3.417 65 2HG1 ILE 7 HG11 ILE 7 -4.212 1.343 4.101 66 1HG2 ILE 7 HG21 ILE 7 -7.489 -0.162 4.150 67 2HG2 ILE 7 HG22 ILE 7 -7.421 0.202 2.425 68 3HG2 ILE 7 HG23 ILE 7 -8.413 1.192 3.498 69 1HD1 ILE 7 HD11 ILE 7 -5.873 -0.753 5.451 70 2HD1 ILE 7 HD12 ILE 7 -5.926 0.897 6.073 71 3HD1 ILE 7 HD13 ILE 7 -4.392 0.028 6.005 72 H ASN 8 HN ASN 8 -7.227 2.326 0.145 73 HA ASN 8 HA ASN 8 -8.990 4.619 0.943 74 1HB ASN 8 HB2 ASN 8 -7.693 3.716 -1.622 75 2HB ASN 8 HB1 ASN 8 -9.124 4.745 -1.675 76 1HD2 ASN 8 HD21 ASN 8 -7.763 6.519 -2.550 77 2HD2 ASN 8 HD22 ASN 8 -6.737 7.400 -1.510 78 H GLY 9 HN GLY 9 -9.898 2.228 1.849 79 1HA GLY 9 HA2 GLY 9 -11.585 0.901 -0.155 80 2HA GLY 9 HA1 GLY 9 -11.514 0.508 1.568 81 H LYS 10 HN LYS 10 -13.929 0.862 -0.005 82 HA LYS 10 HA LYS 10 -15.198 3.358 0.214 83 1HB LYS 10 HB2 LYS 10 -16.250 0.529 0.486 84 2HB LYS 10 HB1 LYS 10 -17.283 1.940 0.248 85 1HG LYS 10 HG2 LYS 10 -15.924 2.454 -1.832 86 2HG LYS 10 HG1 LYS 10 -15.166 0.873 -1.636 87 1HD LYS 10 HD2 LYS 10 -17.148 -0.281 -2.078 88 2HD LYS 10 HD1 LYS 10 -18.163 1.091 -1.632 89 1HE LYS 10 HE2 LYS 10 -17.546 2.285 -3.660 90 2HE LYS 10 HE1 LYS 10 -16.368 1.027 -4.084 91 1HZ LYS 10 HZ1 LYS 10 -18.213 -0.595 -4.009 92 2HZ LYS 10 HZ2 LYS 10 -18.411 0.571 -5.229 93 3HZ LYS 10 HZ3 LYS 10 -19.305 0.684 -3.789 94 H THR 11 HN THR 11 -14.609 0.924 2.693 95 HA THR 11 HA THR 11 -15.906 2.728 4.713 96 HB THR 11 HB THR 11 -15.654 -0.285 4.856 97 HG1 THR 11 HG1 THR 11 -17.589 -0.429 3.881 98 1HG2 THR 11 HG21 THR 11 -17.243 -0.136 6.599 99 2HG2 THR 11 HG22 THR 11 -17.711 1.503 6.146 100 3HG2 THR 11 HG23 THR 11 -16.145 1.211 6.902 101 H LEU 12 HN LEU 12 -13.329 0.343 4.101 102 HA LEU 12 HA LEU 12 -11.990 0.941 6.660 103 1HB LEU 12 HB2 LEU 12 -11.287 -0.772 4.253 104 2HB LEU 12 HB1 LEU 12 -10.391 -0.765 5.773 105 HG LEU 12 HG LEU 12 -13.344 -1.199 5.903 106 1HD1 LEU 12 HD11 LEU 12 -13.306 -3.384 5.139 107 2HD1 LEU 12 HD12 LEU 12 -11.582 -3.577 5.460 108 3HD1 LEU 12 HD13 LEU 12 -12.120 -2.665 4.049 109 1HD2 LEU 12 HD21 LEU 12 -11.585 -1.054 7.836 110 2HD2 LEU 12 HD22 LEU 12 -11.165 -2.695 7.347 111 3HD2 LEU 12 HD23 LEU 12 -12.802 -2.329 7.890 112 H LYS 13 HN LYS 13 -9.936 1.973 6.813 113 HA LYS 13 HA LYS 13 -8.599 3.056 4.433 114 1HB LYS 13 HB2 LYS 13 -10.471 4.604 6.164 115 2HB LYS 13 HB1 LYS 13 -8.995 5.425 5.654 116 1HG LYS 13 HG2 LYS 13 -9.735 4.322 3.297 117 2HG LYS 13 HG1 LYS 13 -11.322 4.535 4.036 118 1HD LYS 13 HD2 LYS 13 -9.255 6.743 3.900 119 2HD LYS 13 HD1 LYS 13 -10.505 6.516 2.677 120 1HE LYS 13 HE2 LYS 13 -11.497 6.524 5.471 121 2HE LYS 13 HE1 LYS 13 -10.856 8.073 4.888 122 1HZ LYS 13 HZ1 LYS 13 -12.180 7.754 2.848 123 2HZ LYS 13 HZ2 LYS 13 -13.148 7.895 4.237 124 3HZ LYS 13 HZ3 LYS 13 -12.881 6.371 3.534 125 H GLY 14 HN GLY 14 -6.926 4.860 5.437 126 1HA GLY 14 HA2 GLY 14 -5.701 5.298 7.630 127 2HA GLY 14 HA1 GLY 14 -5.692 3.545 7.825 128 H GLU 15 HN GLU 15 -3.261 4.665 7.896 129 HA GLU 15 HA GLU 15 -2.106 4.289 5.151 130 1HB GLU 15 HB2 GLU 15 -0.274 5.741 6.028 131 2HB GLU 15 HB1 GLU 15 -1.844 6.541 6.093 132 1HG GLU 15 HG2 GLU 15 -1.130 4.978 8.508 133 2HG GLU 15 HG1 GLU 15 -0.129 6.399 8.210 134 H THR 16 HN THR 16 0.241 3.431 5.287 135 HA THR 16 HA THR 16 0.965 1.824 7.625 136 HB THR 16 HB THR 16 -0.863 0.495 6.656 137 HG1 THR 16 HG1 THR 16 0.919 -0.623 7.497 138 1HG2 THR 16 HG21 THR 16 0.776 0.774 4.128 139 2HG2 THR 16 HG22 THR 16 -0.923 1.177 4.380 140 3HG2 THR 16 HG23 THR 16 -0.416 -0.510 4.335 141 H THR 17 HN THR 17 3.115 1.022 7.449 142 HA THR 17 HA THR 17 4.555 1.607 4.886 143 HB THR 17 HB THR 17 6.400 2.494 6.316 144 HG1 THR 17 HG1 THR 17 4.461 2.268 8.372 145 1HG2 THR 17 HG21 THR 17 4.934 4.137 5.389 146 2HG2 THR 17 HG22 THR 17 5.135 4.567 7.088 147 3HG2 THR 17 HG23 THR 17 3.664 3.757 6.551 148 H THR 18 HN THR 18 6.534 0.315 4.636 149 HA THR 18 HA THR 18 6.846 -1.952 6.523 150 HB THR 18 HB THR 18 5.562 -1.975 3.896 151 HG1 THR 18 HG1 THR 18 4.923 -3.023 5.862 152 1HG2 THR 18 HG21 THR 18 6.689 -3.884 2.900 153 2HG2 THR 18 HG22 THR 18 7.862 -3.933 4.216 154 3HG2 THR 18 HG23 THR 18 7.847 -2.568 3.097 155 H GLU 19 HN GLU 19 8.934 -3.099 6.121 156 HA GLU 19 HA GLU 19 10.980 -1.306 4.849 157 1HB GLU 19 HB2 GLU 19 10.960 -1.493 7.368 158 2HB GLU 19 HB1 GLU 19 11.290 -3.217 7.187 159 1HG GLU 19 HG2 GLU 19 13.231 -2.222 5.589 160 2HG GLU 19 HG1 GLU 19 13.083 -0.890 6.738 161 H ALA 20 HN ALA 20 11.695 -2.284 2.990 162 HA ALA 20 HA ALA 20 12.442 -5.157 3.065 163 1HB ALA 20 HB1 ALA 20 11.099 -5.233 0.779 164 2HB ALA 20 HB2 ALA 20 10.221 -3.884 1.502 165 3HB ALA 20 HB3 ALA 20 10.256 -5.450 2.314 166 H VAL 21 HN VAL 21 13.366 -5.726 0.762 167 HA VAL 21 HA VAL 21 15.624 -4.088 0.218 168 HB VAL 21 HB VAL 21 15.836 -5.552 -1.776 169 1HG1 VAL 21 HG11 VAL 21 14.735 -7.179 0.519 170 2HG1 VAL 21 HG12 VAL 21 16.280 -6.336 0.626 171 3HG1 VAL 21 HG13 VAL 21 16.046 -7.598 -0.584 172 1HG2 VAL 21 HG21 VAL 21 13.934 -7.331 -1.951 173 2HG2 VAL 21 HG22 VAL 21 13.667 -5.747 -2.676 174 3HG2 VAL 21 HG23 VAL 21 12.946 -6.133 -1.115 175 H ASP 22 HN ASP 22 12.450 -4.232 -1.396 176 HA ASP 22 HA ASP 22 12.903 -1.518 -2.507 177 1HB ASP 22 HB2 ASP 22 12.278 -3.988 -4.165 178 2HB ASP 22 HB1 ASP 22 12.341 -2.339 -4.786 179 H ALA 23 HN ALA 23 10.798 -0.771 -3.609 180 HA ALA 23 HA ALA 23 8.556 -1.157 -1.846 181 1HB ALA 23 HB1 ALA 23 8.646 0.897 -2.975 182 2HB ALA 23 HB2 ALA 23 7.421 0.035 -3.907 183 3HB ALA 23 HB3 ALA 23 9.075 0.142 -4.510 184 H ALA 24 HN ALA 24 9.596 -2.787 -4.775 185 HA ALA 24 HA ALA 24 7.137 -3.958 -5.624 186 1HB ALA 24 HB1 ALA 24 9.537 -3.894 -6.654 187 2HB ALA 24 HB2 ALA 24 8.546 -5.325 -6.938 188 3HB ALA 24 HB3 ALA 24 9.810 -5.357 -5.708 189 H THR 25 HN THR 25 9.600 -5.152 -3.321 190 HA THR 25 HA THR 25 8.130 -7.577 -2.666 191 HB THR 25 HB THR 25 10.470 -6.065 -1.467 192 HG1 THR 25 HG1 THR 25 11.610 -7.765 -2.380 193 1HG2 THR 25 HG21 THR 25 9.422 -8.787 -0.632 194 2HG2 THR 25 HG22 THR 25 9.299 -7.313 0.335 195 3HG2 THR 25 HG23 THR 25 10.883 -8.006 -0.026 196 H ALA 26 HN ALA 26 8.560 -4.391 -1.084 197 HA ALA 26 HA ALA 26 7.093 -4.975 1.286 198 1HB ALA 26 HB1 ALA 26 8.482 -2.999 1.097 199 2HB ALA 26 HB2 ALA 26 6.820 -2.446 1.338 200 3HB ALA 26 HB3 ALA 26 7.544 -2.410 -0.276 201 H GLU 27 HN GLU 27 5.916 -2.934 -1.414 202 HA GLU 27 HA GLU 27 3.216 -2.797 -0.851 203 1HB GLU 27 HB2 GLU 27 4.406 -1.714 -2.733 204 2HB GLU 27 HB1 GLU 27 4.526 -3.270 -3.552 205 1HG GLU 27 HG2 GLU 27 1.893 -3.276 -3.216 206 2HG GLU 27 HG1 GLU 27 2.124 -1.531 -3.127 207 H LYS 28 HN LYS 28 4.934 -5.577 -2.129 208 HA LYS 28 HA LYS 28 2.663 -7.172 -2.921 209 1HB LYS 28 HB2 LYS 28 4.621 -8.037 -3.772 210 2HB LYS 28 HB1 LYS 28 5.587 -7.398 -2.458 211 1HG LYS 28 HG2 LYS 28 4.567 -9.345 -1.052 212 2HG LYS 28 HG1 LYS 28 4.129 -10.030 -2.619 213 1HD LYS 28 HD2 LYS 28 6.408 -10.114 -3.322 214 2HD LYS 28 HD1 LYS 28 6.934 -9.074 -1.993 215 1HE LYS 28 HE2 LYS 28 5.618 -11.749 -1.454 216 2HE LYS 28 HE1 LYS 28 7.368 -11.613 -1.723 217 1HZ LYS 28 HZ1 LYS 28 7.346 -9.782 -0.046 218 2HZ LYS 28 HZ2 LYS 28 6.996 -11.317 0.593 219 3HZ LYS 28 HZ3 LYS 28 5.744 -10.200 0.322 220 H VAL 29 HN VAL 29 4.548 -6.970 0.106 221 HA VAL 29 HA VAL 29 2.887 -8.819 1.613 222 HB VAL 29 HB VAL 29 4.961 -6.686 2.198 223 1HG1 VAL 29 HG11 VAL 29 3.537 -8.363 4.293 224 2HG1 VAL 29 HG12 VAL 29 3.352 -6.618 4.089 225 3HG1 VAL 29 HG13 VAL 29 4.909 -7.291 4.583 226 1HG2 VAL 29 HG21 VAL 29 6.097 -8.580 1.562 227 2HG2 VAL 29 HG22 VAL 29 4.807 -9.660 2.090 228 3HG2 VAL 29 HG23 VAL 29 5.905 -8.952 3.275 229 H LEU 30 HN LEU 30 2.864 -5.325 0.997 230 HA LEU 30 HA LEU 30 0.900 -4.630 2.968 231 1HB LEU 30 HB2 LEU 30 1.828 -3.451 0.341 232 2HB LEU 30 HB1 LEU 30 0.594 -2.660 1.302 233 HG LEU 30 HG LEU 30 3.172 -2.018 1.542 234 1HD1 LEU 30 HD11 LEU 30 1.176 -2.253 3.789 235 2HD1 LEU 30 HD12 LEU 30 1.509 -0.849 2.771 236 3HD1 LEU 30 HD13 LEU 30 2.718 -1.398 3.941 237 1HD2 LEU 30 HD21 LEU 30 3.992 -3.100 3.715 238 2HD2 LEU 30 HD22 LEU 30 4.197 -4.012 2.235 239 3HD2 LEU 30 HD23 LEU 30 2.901 -4.420 3.352 240 H LYS 31 HN LYS 31 0.738 -5.891 -0.314 241 HA LYS 31 HA LYS 31 -2.073 -5.550 -0.834 242 1HB LYS 31 HB2 LYS 31 0.032 -6.438 -2.250 243 2HB LYS 31 HB1 LYS 31 -0.525 -7.988 -1.664 244 1HG LYS 31 HG2 LYS 31 -2.416 -6.033 -2.976 245 2HG LYS 31 HG1 LYS 31 -1.481 -7.192 -3.921 246 1HD LYS 31 HD2 LYS 31 -3.419 -7.873 -1.685 247 2HD LYS 31 HD1 LYS 31 -3.703 -8.111 -3.408 248 1HE LYS 31 HE2 LYS 31 -1.221 -9.359 -2.878 249 2HE LYS 31 HE1 LYS 31 -2.303 -9.847 -1.553 250 1HZ LYS 31 HZ1 LYS 31 -4.027 -10.283 -3.274 251 2HZ LYS 31 HZ2 LYS 31 -2.683 -11.317 -3.387 252 3HZ LYS 31 HZ3 LYS 31 -2.855 -10.021 -4.472 253 H GLN 32 HN GLN 32 -0.164 -8.148 0.643 254 HA GLN 32 HA GLN 32 -2.211 -10.023 1.212 255 1HB GLN 32 HB2 GLN 32 0.485 -9.302 2.217 256 2HB GLN 32 HB1 GLN 32 -0.503 -10.311 3.275 257 1HG GLN 32 HG2 GLN 32 -0.620 -12.059 1.730 258 2HG GLN 32 HG1 GLN 32 -0.269 -11.000 0.363 259 1HE2 GLN 32 HE21 GLN 32 1.804 -11.313 -0.436 260 2HE2 GLN 32 HE22 GLN 32 3.159 -11.761 0.499 261 H TYR 33 HN TYR 33 -1.081 -7.205 3.063 262 HA TYR 33 HA TYR 33 -2.748 -7.538 5.389 263 1HB TYR 33 HB2 TYR 33 -0.817 -6.041 5.300 264 2HB TYR 33 HB1 TYR 33 -1.556 -5.105 4.001 265 HD1 TYR 33 HD1 TYR 33 -1.959 -6.140 7.537 266 HD2 TYR 33 HD2 TYR 33 -3.078 -3.345 4.481 267 HE1 TYR 33 HE1 TYR 33 -3.119 -4.768 9.228 268 HE2 TYR 33 HE2 TYR 33 -4.237 -1.958 6.175 269 HH TYR 33 HH TYR 33 -3.747 -1.945 9.193 270 H ILE 34 HN ILE 34 -3.210 -5.923 2.271 271 HA ILE 34 HA ILE 34 -5.802 -4.772 2.816 272 HB ILE 34 HB ILE 34 -4.430 -5.633 0.250 273 1HG1 ILE 34 HG12 ILE 34 -3.267 -3.974 1.880 274 2HG1 ILE 34 HG11 ILE 34 -3.384 -3.525 0.187 275 1HG2 ILE 34 HG21 ILE 34 -6.798 -3.818 0.739 276 2HG2 ILE 34 HG22 ILE 34 -6.745 -5.281 -0.244 277 3HG2 ILE 34 HG23 ILE 34 -5.890 -3.832 -0.773 278 1HD1 ILE 34 HD11 ILE 34 -5.375 -2.146 0.712 279 2HD1 ILE 34 HD12 ILE 34 -3.967 -1.629 1.640 280 3HD1 ILE 34 HD13 ILE 34 -5.226 -2.595 2.412 281 H ASN 35 HN ASN 35 -4.697 -7.961 1.856 282 HA ASN 35 HA ASN 35 -7.047 -9.048 0.688 283 1HB ASN 35 HB2 ASN 35 -4.687 -9.997 0.873 284 2HB ASN 35 HB1 ASN 35 -5.098 -10.468 2.522 285 1HD2 ASN 35 HD21 ASN 35 -5.394 -11.376 -0.803 286 2HD2 ASN 35 HD22 ASN 35 -6.430 -12.700 -0.573 287 H ASP 36 HN ASP 36 -6.193 -8.473 4.061 288 HA ASP 36 HA ASP 36 -8.340 -10.072 5.206 289 1HB ASP 36 HB2 ASP 36 -6.140 -9.360 6.268 290 2HB ASP 36 HB1 ASP 36 -6.824 -7.741 6.415 291 H ASN 37 HN ASN 37 -7.892 -6.613 4.467 292 HA ASN 37 HA ASN 37 -10.515 -5.841 5.506 293 1HB ASN 37 HB2 ASN 37 -8.446 -4.466 3.757 294 2HB ASN 37 HB1 ASN 37 -9.851 -3.659 4.462 295 1HD2 ASN 37 HD21 ASN 37 -8.957 -2.374 6.108 296 2HD2 ASN 37 HD22 ASN 37 -7.934 -2.967 7.338 297 H GLY 38 HN GLY 38 -9.166 -6.785 2.393 298 1HA GLY 38 HA2 GLY 38 -10.327 -7.487 0.457 299 2HA GLY 38 HA1 GLY 38 -11.846 -7.117 1.275 300 H ILE 39 HN ILE 39 -9.062 -4.976 0.675 301 HA ILE 39 HA ILE 39 -10.878 -3.241 -0.974 302 HB ILE 39 HB ILE 39 -8.713 -2.485 1.020 303 1HG1 ILE 39 HG12 ILE 39 -10.755 -3.349 2.102 304 2HG1 ILE 39 HG11 ILE 39 -10.601 -1.610 2.366 305 1HG2 ILE 39 HG21 ILE 39 -8.850 -0.852 -0.789 306 2HG2 ILE 39 HG22 ILE 39 -9.569 -0.169 0.669 307 3HG2 ILE 39 HG23 ILE 39 -10.604 -0.776 -0.624 308 1HD1 ILE 39 HD11 ILE 39 -12.906 -2.109 1.761 309 2HD1 ILE 39 HD12 ILE 39 -12.378 -2.976 0.319 310 3HD1 ILE 39 HD13 ILE 39 -12.150 -1.231 0.432 311 H ASP 40 HN ASP 40 -9.853 -4.514 -2.804 312 HA ASP 40 HA ASP 40 -7.098 -3.500 -3.440 313 1HB ASP 40 HB2 ASP 40 -7.555 -6.003 -2.998 314 2HB ASP 40 HB1 ASP 40 -8.420 -5.988 -4.538 315 H GLY 41 HN GLY 41 -7.024 -2.164 -5.203 316 1HA GLY 41 HA2 GLY 41 -8.821 -2.585 -7.488 317 2HA GLY 41 HA1 GLY 41 -9.079 -1.068 -6.620 318 H GLU 42 HN GLU 42 -7.510 0.573 -6.774 319 HA GLU 42 HA GLU 42 -5.319 0.073 -8.766 320 1HB GLU 42 HB2 GLU 42 -7.380 2.201 -8.395 321 2HB GLU 42 HB1 GLU 42 -5.796 2.714 -8.980 322 1HG GLU 42 HG2 GLU 42 -5.982 1.521 -10.956 323 2HG GLU 42 HG1 GLU 42 -7.072 0.325 -10.254 324 H TRP 43 HN TRP 43 -3.335 0.250 -7.825 325 HA TRP 43 HA TRP 43 -3.045 1.836 -5.314 326 1HB TRP 43 HB2 TRP 43 -1.407 -0.310 -6.691 327 2HB TRP 43 HB1 TRP 43 -0.815 0.582 -5.303 328 HD1 TRP 43 HD1 TRP 43 -4.471 -0.605 -5.606 329 HE1 TRP 43 HE1 TRP 43 -4.892 -2.339 -3.761 330 HE3 TRP 43 HE3 TRP 43 0.229 -1.013 -3.742 331 HZ2 TRP 43 HZ2 TRP 43 -3.429 -3.691 -1.716 332 HZ3 TRP 43 HZ3 TRP 43 0.702 -2.515 -1.818 333 HH2 TRP 43 HH2 TRP 43 -1.120 -3.849 -0.806 334 H THR 44 HN THR 44 -2.966 3.945 -6.444 335 HA THR 44 HA THR 44 -1.151 4.560 -8.567 336 HB THR 44 HB THR 44 -1.519 6.887 -7.795 337 HG1 THR 44 HG1 THR 44 -1.413 6.442 -5.560 338 1HG2 THR 44 HG21 THR 44 -3.705 4.902 -8.117 339 2HG2 THR 44 HG22 THR 44 -3.361 6.362 -9.047 340 3HG2 THR 44 HG23 THR 44 -4.179 6.481 -7.489 341 H TYR 45 HN TYR 45 1.037 4.814 -8.543 342 HA TYR 45 HA TYR 45 2.466 4.579 -5.938 343 1HB TYR 45 HB2 TYR 45 2.924 3.011 -7.803 344 2HB TYR 45 HB1 TYR 45 3.379 4.370 -8.830 345 HD1 TYR 45 HD1 TYR 45 4.136 3.401 -5.279 346 HD2 TYR 45 HD2 TYR 45 5.678 4.484 -9.138 347 HE1 TYR 45 HE1 TYR 45 6.446 3.310 -4.382 348 HE2 TYR 45 HE2 TYR 45 7.987 4.394 -8.241 349 HH TYR 45 HH TYR 45 8.715 3.033 -5.175 350 H ASP 46 HN ASP 46 4.371 6.014 -5.596 351 HA ASP 46 HA ASP 46 4.568 8.466 -7.227 352 1HB ASP 46 HB2 ASP 46 4.071 9.908 -5.254 353 2HB ASP 46 HB1 ASP 46 2.688 8.920 -5.718 354 H ASP 47 HN ASP 47 6.730 8.791 -7.403 355 HA ASP 47 HA ASP 47 8.625 7.573 -5.532 356 1HB ASP 47 HB2 ASP 47 10.265 8.460 -7.142 357 2HB ASP 47 HB1 ASP 47 8.943 7.662 -7.987 358 H ALA 48 HN ALA 48 7.051 10.650 -5.773 359 HA ALA 48 HA ALA 48 8.979 12.453 -4.753 360 1HB ALA 48 HB1 ALA 48 6.003 12.170 -4.731 361 2HB ALA 48 HB2 ALA 48 7.000 13.451 -5.421 362 3HB ALA 48 HB3 ALA 48 6.712 13.398 -3.682 363 H THR 49 HN THR 49 7.127 9.954 -3.102 364 HA THR 49 HA THR 49 8.769 10.349 -0.669 365 HB THR 49 HB THR 49 6.856 11.864 -0.400 366 HG1 THR 49 HG1 THR 49 6.065 10.960 1.521 367 1HG2 THR 49 HG21 THR 49 4.556 10.636 -0.178 368 2HG2 THR 49 HG22 THR 49 5.312 9.409 -1.192 369 3HG2 THR 49 HG23 THR 49 5.150 11.061 -1.783 370 H LYS 50 HN LYS 50 8.364 8.251 -2.756 371 HA LYS 50 HA LYS 50 7.892 5.955 -2.994 372 1HB LYS 50 HB2 LYS 50 9.198 4.701 -1.414 373 2HB LYS 50 HB1 LYS 50 9.999 6.247 -1.652 374 1HG LYS 50 HG2 LYS 50 8.047 6.130 0.595 375 2HG LYS 50 HG1 LYS 50 9.514 5.184 0.790 376 1HD LYS 50 HD2 LYS 50 9.948 7.906 -0.275 377 2HD LYS 50 HD1 LYS 50 9.327 7.849 1.375 378 1HE LYS 50 HE2 LYS 50 11.487 5.901 0.860 379 2HE LYS 50 HE1 LYS 50 11.989 7.599 0.727 380 1HZ LYS 50 HZ1 LYS 50 10.434 6.434 2.978 381 2HZ LYS 50 HZ2 LYS 50 10.923 8.056 2.841 382 3HZ LYS 50 HZ3 LYS 50 12.083 6.828 3.030 383 H THR 51 HN THR 51 5.586 7.448 -1.876 384 HA THR 51 HA THR 51 4.399 5.591 0.099 385 HB THR 51 HB THR 51 3.339 8.068 -1.309 386 HG1 THR 51 HG1 THR 51 3.862 8.996 0.772 387 1HG2 THR 51 HG21 THR 51 2.303 6.309 0.891 388 2HG2 THR 51 HG22 THR 51 1.433 7.025 -0.466 389 3HG2 THR 51 HG23 THR 51 1.918 8.030 0.900 390 H TRP 52 HN TRP 52 2.101 4.808 -0.415 391 HA TRP 52 HA TRP 52 1.770 4.155 -3.325 392 1HB TRP 52 HB2 TRP 52 1.817 2.409 -0.871 393 2HB TRP 52 HB1 TRP 52 0.940 1.906 -2.308 394 HD1 TRP 52 HD1 TRP 52 4.434 2.336 -0.943 395 HE1 TRP 52 HE1 TRP 52 6.126 1.414 -2.663 396 HE3 TRP 52 HE3 TRP 52 1.310 1.552 -4.860 397 HZ2 TRP 52 HZ2 TRP 52 6.131 0.459 -5.372 398 HZ3 TRP 52 HZ3 TRP 52 2.161 0.634 -7.009 399 HH2 TRP 52 HH2 TRP 52 4.567 0.085 -7.266 400 H THR 53 HN THR 53 -0.541 2.797 -3.288 401 HA THR 53 HA THR 53 -2.532 4.079 -1.538 402 HB THR 53 HB THR 53 -2.839 4.399 -4.521 403 HG1 THR 53 HG1 THR 53 -1.513 6.156 -2.735 404 1HG2 THR 53 HG21 THR 53 -3.961 6.566 -3.396 405 2HG2 THR 53 HG22 THR 53 -4.090 5.450 -2.037 406 3HG2 THR 53 HG23 THR 53 -4.830 5.044 -3.585 407 H VAL 54 HN VAL 54 -4.831 3.298 -2.395 408 HA VAL 54 HA VAL 54 -5.039 0.884 -3.950 409 HB VAL 54 HB VAL 54 -3.764 -0.163 -2.194 410 1HG1 VAL 54 HG11 VAL 54 -3.713 1.263 -0.388 411 2HG1 VAL 54 HG12 VAL 54 -4.819 0.031 0.218 412 3HG1 VAL 54 HG13 VAL 54 -5.451 1.547 -0.423 413 1HG2 VAL 54 HG21 VAL 54 -6.170 -1.138 -2.840 414 2HG2 VAL 54 HG22 VAL 54 -6.480 -0.821 -1.133 415 3HG2 VAL 54 HG23 VAL 54 -5.166 -1.902 -1.603 416 H THR 55 HN THR 55 -6.849 2.220 -4.649 417 HA THR 55 HA THR 55 -9.039 2.711 -2.705 418 HB THR 55 HB THR 55 -8.892 3.328 -5.668 419 HG1 THR 55 HG1 THR 55 -7.554 4.877 -5.224 420 1HG2 THR 55 HG21 THR 55 -10.353 5.245 -4.916 421 2HG2 THR 55 HG22 THR 55 -10.421 4.486 -3.326 422 3HG2 THR 55 HG23 THR 55 -11.089 3.653 -4.730 423 H GLU 56 HN GLU 56 -10.936 1.523 -2.708 424 HA GLU 56 HA GLU 56 -11.035 -1.027 -4.093 425 1HB GLU 56 HB2 GLU 56 -12.058 -0.103 -1.819 426 2HB GLU 56 HB1 GLU 56 -13.429 0.292 -2.857 427 1HG GLU 56 HG2 GLU 56 -12.148 -2.451 -2.703 428 2HG GLU 56 HG1 GLU 56 -13.600 -1.984 -1.817
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