NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534104 | 2lhc | 17839 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 1HT THR 1 4.453 13.458 -16.156 2 H2 THR 1 2HT THR 1 5.524 14.122 -17.322 3 H3 THR 1 3HT THR 1 5.404 12.421 -17.133 4 HA THR 1 HA THR 1 4.204 12.851 -19.008 5 HB THR 1 HB THR 1 1.978 13.042 -17.029 6 HG1 THR 1 1HG THR 1 3.723 10.814 -17.166 7 HG21 THR 1 3HG2 THR 1 2.506 10.901 -19.061 8 HG22 THR 1 1HG2 THR 1 1.669 12.403 -19.451 9 HG23 THR 1 2HG2 THR 1 0.991 11.300 -18.252 10 H THR 2 H THR 2 2.552 14.070 -20.159 11 HA THR 2 HA THR 2 1.668 16.010 -20.952 12 HB THR 2 HB THR 2 1.529 17.283 -18.278 13 HG1 THR 2 1HG THR 2 1.005 15.393 -17.459 14 HG21 THR 2 3HG2 THR 2 -0.987 17.180 -19.087 15 HG22 THR 2 1HG2 THR 2 -0.204 17.000 -20.658 16 HG23 THR 2 2HG2 THR 2 0.138 18.412 -19.659 17 H TYR 3 H TYR 3 1.916 18.574 -20.643 18 HA TYR 3 HA TYR 3 4.554 19.181 -21.352 19 HB2 TYR 3 2HB TYR 3 2.063 20.645 -20.955 20 HB3 TYR 3 1HB TYR 3 3.475 21.594 -20.501 21 HD1 TYR 3 1HD TYR 3 1.977 19.644 -23.282 22 HD2 TYR 3 2HD TYR 3 4.841 22.577 -22.144 23 HE1 TYR 3 1HE TYR 3 2.385 20.156 -25.652 24 HE2 TYR 3 2HE TYR 3 5.257 23.097 -24.511 25 HH TYR 3 HH TYR 3 3.238 22.044 -27.007 26 H LYS 4 H LYS 4 2.823 20.206 -18.401 27 HA LYS 4 HA LYS 4 5.377 20.730 -17.101 28 HB2 LYS 4 2HB LYS 4 4.032 21.722 -15.311 29 HB3 LYS 4 1HB LYS 4 3.598 22.395 -16.875 30 HG2 LYS 4 2HG LYS 4 1.990 20.081 -16.118 31 HG3 LYS 4 1HG LYS 4 1.847 21.443 -15.005 32 HD2 LYS 4 2HD LYS 4 1.180 22.908 -16.771 33 HD3 LYS 4 1HD LYS 4 1.553 21.691 -17.995 34 HE2 LYS 4 2HE LYS 4 -0.209 20.242 -16.967 35 HE3 LYS 4 1HE LYS 4 -0.649 21.605 -15.938 36 HZ1 LYS 4 3HZ LYS 4 -1.214 22.884 -17.872 37 HZ2 LYS 4 1HZ LYS 4 -2.043 21.410 -17.937 38 HZ3 LYS 4 2HZ LYS 4 -0.679 21.659 -18.907 39 H LEU 5 H LEU 5 5.469 20.073 -14.701 40 HA LEU 5 HA LEU 5 4.868 17.210 -14.576 41 HB2 LEU 5 2HB LEU 5 6.811 16.920 -13.493 42 HB3 LEU 5 1HB LEU 5 7.207 18.492 -14.153 43 HG LEU 5 HG LEU 5 6.286 19.448 -11.949 44 HD11 LEU 5 1HD1 LEU 5 7.039 17.012 -10.548 45 HD12 LEU 5 2HD1 LEU 5 5.583 16.821 -11.527 46 HD13 LEU 5 3HD1 LEU 5 5.660 18.085 -10.298 47 HD21 LEU 5 3HD2 LEU 5 8.650 19.444 -12.547 48 HD22 LEU 5 1HD2 LEU 5 8.806 17.791 -11.951 49 HD23 LEU 5 2HD2 LEU 5 8.433 19.102 -10.832 50 H ILE 6 H ILE 6 3.163 16.582 -13.462 51 HA ILE 6 HA ILE 6 1.946 18.364 -11.524 52 HB ILE 6 HB ILE 6 0.570 17.209 -13.238 53 HG12 ILE 6 2HG1 ILE 6 -1.215 16.526 -11.692 54 HG13 ILE 6 1HG1 ILE 6 -0.049 16.467 -10.375 55 HG21 ILE 6 1HG2 ILE 6 2.048 15.005 -12.684 56 HG22 ILE 6 2HG2 ILE 6 0.492 14.980 -13.515 57 HG23 ILE 6 3HG2 ILE 6 0.572 14.660 -11.782 58 HD11 ILE 6 3HD1 ILE 6 -1.585 18.651 -11.227 59 HD12 ILE 6 1HD1 ILE 6 0.089 19.014 -11.646 60 HD13 ILE 6 2HD1 ILE 6 -0.337 18.618 -9.981 61 H LEU 7 H LEU 7 1.808 18.003 -9.363 62 HA LEU 7 HA LEU 7 3.103 15.571 -8.318 63 HB2 LEU 7 2HB LEU 7 3.869 16.945 -6.403 64 HB3 LEU 7 1HB LEU 7 4.583 17.414 -7.933 65 HG LEU 7 HG LEU 7 2.154 18.907 -7.211 66 HD11 LEU 7 1HD1 LEU 7 3.628 18.454 -5.062 67 HD12 LEU 7 2HD1 LEU 7 2.901 20.028 -5.377 68 HD13 LEU 7 3HD1 LEU 7 4.599 19.747 -5.760 69 HD21 LEU 7 3HD2 LEU 7 3.473 19.480 -9.157 70 HD22 LEU 7 1HD2 LEU 7 4.913 19.672 -8.156 71 HD23 LEU 7 2HD2 LEU 7 3.555 20.780 -7.973 72 H ASN 8 H ASN 8 1.783 14.341 -7.162 73 HA ASN 8 HA ASN 8 -0.008 15.404 -5.208 74 HB2 ASN 8 2HB ASN 8 -1.073 14.546 -7.859 75 HB3 ASN 8 1HB ASN 8 -2.002 14.149 -6.412 76 HD21 ASN 8 1HD2 ASN 8 -1.431 16.447 -8.747 77 HD22 ASN 8 2HD2 ASN 8 -2.172 17.803 -7.977 78 H LEU 9 H LEU 9 -0.912 13.853 -3.890 79 HA LEU 9 HA LEU 9 0.619 11.566 -3.433 80 HB2 LEU 9 2HB LEU 9 -1.119 10.952 -1.813 81 HB3 LEU 9 1HB LEU 9 -0.624 12.627 -1.664 82 HG LEU 9 HG LEU 9 -3.020 12.025 -3.326 83 HD11 LEU 9 1HD1 LEU 9 -3.529 12.459 -0.467 84 HD12 LEU 9 2HD1 LEU 9 -2.902 10.869 -0.898 85 HD13 LEU 9 3HD1 LEU 9 -4.389 11.461 -1.639 86 HD21 LEU 9 3HD2 LEU 9 -3.600 14.165 -1.790 87 HD22 LEU 9 1HD2 LEU 9 -2.780 14.268 -3.348 88 HD23 LEU 9 2HD2 LEU 9 -1.842 14.290 -1.854 89 H LYS 10 H LYS 10 -2.263 12.059 -5.329 90 HA LYS 10 HA LYS 10 -3.492 9.725 -5.642 91 HB2 LYS 10 2HB LYS 10 -2.712 11.817 -7.597 92 HB3 LYS 10 1HB LYS 10 -3.343 10.310 -8.247 93 HG2 LYS 10 2HG LYS 10 -5.297 11.418 -8.036 94 HG3 LYS 10 1HG LYS 10 -5.207 10.763 -6.400 95 HD2 LYS 10 2HD LYS 10 -5.491 12.896 -5.756 96 HD3 LYS 10 1HD LYS 10 -3.779 13.072 -6.149 97 HE2 LYS 10 2HE LYS 10 -4.517 14.754 -7.453 98 HE3 LYS 10 1HE LYS 10 -4.877 13.450 -8.584 99 HZ1 LYS 10 3HZ LYS 10 -6.682 15.206 -7.925 100 HZ2 LYS 10 1HZ LYS 10 -6.911 14.175 -6.602 101 HZ3 LYS 10 2HZ LYS 10 -7.102 13.587 -8.176 102 H GLN 11 H GLN 11 -0.436 10.457 -7.357 103 HA GLN 11 HA GLN 11 -0.080 8.150 -8.769 104 HB2 GLN 11 2HB GLN 11 2.423 8.470 -8.266 105 HB3 GLN 11 1HB GLN 11 1.569 9.781 -9.066 106 HG2 GLN 11 2HG GLN 11 2.055 11.194 -7.435 107 HG3 GLN 11 1HG GLN 11 1.448 10.082 -6.206 108 HE21 GLN 11 1HE2 GLN 11 4.179 9.993 -8.472 109 HE22 GLN 11 2HE2 GLN 11 5.387 9.694 -7.273 110 H ALA 12 H ALA 12 0.435 8.628 -5.326 111 HA ALA 12 HA ALA 12 1.459 5.965 -4.910 112 HB1 ALA 12 1HB ALA 12 1.846 8.204 -3.541 113 HB2 ALA 12 2HB ALA 12 1.923 6.617 -2.777 114 HB3 ALA 12 3HB ALA 12 0.459 7.592 -2.639 115 H LYS 13 H LYS 13 -1.620 7.624 -4.674 116 HA LYS 13 HA LYS 13 -3.016 5.735 -3.154 117 HB2 LYS 13 2HB LYS 13 -4.449 7.451 -3.332 118 HB3 LYS 13 1HB LYS 13 -3.649 8.064 -4.772 119 HG2 LYS 13 2HG LYS 13 -5.558 5.752 -4.900 120 HG3 LYS 13 1HG LYS 13 -6.116 7.425 -4.942 121 HD2 LYS 13 2HD LYS 13 -3.919 7.020 -6.765 122 HD3 LYS 13 1HD LYS 13 -5.228 5.885 -7.096 123 HE2 LYS 13 2HE LYS 13 -6.268 8.525 -6.587 124 HE3 LYS 13 1HE LYS 13 -5.060 8.570 -7.870 125 HZ1 LYS 13 3HZ LYS 13 -7.690 7.340 -7.843 126 HZ2 LYS 13 1HZ LYS 13 -6.474 6.444 -8.604 127 HZ3 LYS 13 2HZ LYS 13 -6.822 8.013 -9.129 128 H GLU 14 H GLU 14 -2.239 5.920 -6.566 129 HA GLU 14 HA GLU 14 -3.826 3.637 -7.294 130 HB2 GLU 14 2HB GLU 14 -3.489 5.219 -9.028 131 HB3 GLU 14 1HB GLU 14 -1.764 5.313 -8.721 132 HG2 GLU 14 2HG GLU 14 -1.652 2.891 -9.502 133 HG3 GLU 14 1HG GLU 14 -3.295 3.127 -10.096 134 H GLU 15 H GLU 15 -0.540 4.299 -6.324 135 HA GLU 15 HA GLU 15 0.801 2.010 -7.099 136 HB2 GLU 15 2HB GLU 15 1.086 4.024 -4.973 137 HB3 GLU 15 1HB GLU 15 1.842 2.480 -4.610 138 HG2 GLU 15 2HG GLU 15 2.359 4.206 -7.019 139 HG3 GLU 15 1HG GLU 15 3.420 3.984 -5.626 140 H ALA 16 H ALA 16 -1.076 2.563 -4.135 141 HA ALA 16 HA ALA 16 -0.770 -0.111 -3.180 142 HB1 ALA 16 1HB ALA 16 -1.166 1.847 -1.709 143 HB2 ALA 16 2HB ALA 16 -2.297 0.522 -1.433 144 HB3 ALA 16 3HB ALA 16 -2.808 1.945 -2.342 145 H ILE 17 H ILE 17 -3.375 1.670 -4.811 146 HA ILE 17 HA ILE 17 -5.349 -0.282 -4.741 147 HB ILE 17 HB ILE 17 -4.759 2.020 -6.527 148 HG12 ILE 17 2HG1 ILE 17 -6.044 2.226 -4.424 149 HG13 ILE 17 1HG1 ILE 17 -6.971 2.724 -5.834 150 HG21 ILE 17 1HG2 ILE 17 -5.352 0.431 -8.219 151 HG22 ILE 17 2HG2 ILE 17 -6.733 1.493 -7.956 152 HG23 ILE 17 3HG2 ILE 17 -6.732 -0.134 -7.278 153 HD11 ILE 17 3HD1 ILE 17 -7.225 0.155 -4.298 154 HD12 ILE 17 1HD1 ILE 17 -8.046 0.478 -5.825 155 HD13 ILE 17 2HD1 ILE 17 -8.397 1.467 -4.408 156 H LYS 18 H LYS 18 -2.714 0.165 -7.076 157 HA LYS 18 HA LYS 18 -3.450 -1.931 -8.811 158 HB2 LYS 18 2HB LYS 18 -0.981 -0.346 -8.313 159 HB3 LYS 18 1HB LYS 18 -0.810 -1.852 -9.204 160 HG2 LYS 18 2HG LYS 18 -2.789 -0.888 -10.619 161 HG3 LYS 18 1HG LYS 18 -2.226 0.652 -9.965 162 HD2 LYS 18 2HD LYS 18 -0.532 -1.343 -11.468 163 HD3 LYS 18 1HD LYS 18 -1.200 0.146 -12.138 164 HE2 LYS 18 2HE LYS 18 0.215 1.493 -10.900 165 HE3 LYS 18 1HE LYS 18 0.493 0.251 -9.679 166 HZ1 LYS 18 3HZ LYS 18 2.118 -0.710 -10.895 167 HZ2 LYS 18 1HZ LYS 18 2.266 0.849 -11.538 168 HZ3 LYS 18 2HZ LYS 18 1.406 -0.338 -12.384 169 H GLU 19 H GLU 19 -1.172 -1.830 -6.084 170 HA GLU 19 HA GLU 19 -0.403 -4.546 -6.245 171 HB2 GLU 19 2HB GLU 19 -0.381 -2.789 -3.789 172 HB3 GLU 19 1HB GLU 19 0.633 -4.192 -4.102 173 HG2 GLU 19 2HG GLU 19 0.788 -1.990 -6.062 174 HG3 GLU 19 1HG GLU 19 1.444 -1.669 -4.458 175 H LEU 20 H LEU 20 -2.955 -2.853 -4.530 176 HA LEU 20 HA LEU 20 -3.739 -4.970 -2.838 177 HB2 LEU 20 2HB LEU 20 -4.750 -2.335 -3.615 178 HB3 LEU 20 1HB LEU 20 -6.025 -3.482 -3.253 179 HG LEU 20 HG LEU 20 -4.791 -3.918 -1.062 180 HD11 LEU 20 1HD1 LEU 20 -3.628 -1.226 -1.291 181 HD12 LEU 20 2HD1 LEU 20 -2.776 -2.550 -2.091 182 HD13 LEU 20 3HD1 LEU 20 -3.102 -2.626 -0.358 183 HD21 LEU 20 3HD2 LEU 20 -6.026 -2.286 0.028 184 HD22 LEU 20 1HD2 LEU 20 -6.880 -2.475 -1.504 185 HD23 LEU 20 2HD2 LEU 20 -5.790 -1.110 -1.265 186 H VAL 21 H VAL 21 -4.929 -3.924 -6.018 187 HA VAL 21 HA VAL 21 -6.987 -5.866 -6.183 188 HB VAL 21 HB VAL 21 -5.596 -4.528 -8.502 189 HG11 VAL 21 1HG1 VAL 21 -7.486 -5.030 -9.773 190 HG12 VAL 21 2HG1 VAL 21 -8.469 -5.366 -8.348 191 HG13 VAL 21 3HG1 VAL 21 -7.208 -6.499 -8.835 192 HG21 VAL 21 3HG2 VAL 21 -8.120 -3.370 -7.594 193 HG22 VAL 21 1HG2 VAL 21 -6.616 -2.581 -8.070 194 HG23 VAL 21 2HG2 VAL 21 -6.806 -3.201 -6.430 195 H ASP 22 H ASP 22 -3.595 -5.891 -6.990 196 HA ASP 22 HA ASP 22 -3.665 -8.236 -8.605 197 HB2 ASP 22 2HB ASP 22 -1.857 -6.308 -8.349 198 HB3 ASP 22 1HB ASP 22 -1.170 -7.438 -7.186 199 H ALA 23 H ALA 23 -3.514 -7.706 -5.170 200 HA ALA 23 HA ALA 23 -3.362 -10.618 -4.800 201 HB1 ALA 23 1HB ALA 23 -1.674 -10.537 -3.162 202 HB2 ALA 23 2HB ALA 23 -1.763 -8.778 -3.039 203 HB3 ALA 23 3HB ALA 23 -1.088 -9.531 -4.488 204 H GLY 24 H GLY 24 -4.428 -11.442 -2.997 205 HA2 GLY 24 2HA GLY 24 -6.719 -10.211 -2.088 206 HA3 GLY 24 1HA GLY 24 -5.869 -11.472 -1.201 207 H THR 25 H THR 25 -6.947 -8.340 -1.068 208 HA THR 25 HA THR 25 -5.175 -7.741 1.201 209 HB THR 25 HB THR 25 -4.438 -6.583 -0.865 210 HG1 THR 25 1HG THR 25 -4.149 -5.607 1.202 211 HG21 THR 25 3HG2 THR 25 -6.581 -4.622 -0.833 212 HG22 THR 25 1HG2 THR 25 -7.103 -6.216 -1.373 213 HG23 THR 25 2HG2 THR 25 -5.773 -5.402 -2.190 214 H ALA 26 H ALA 26 -6.215 -5.172 1.650 215 HA ALA 26 HA ALA 26 -9.061 -5.582 2.212 216 HB1 ALA 26 1HB ALA 26 -7.531 -4.154 4.291 217 HB2 ALA 26 2HB ALA 26 -7.239 -5.889 4.176 218 HB3 ALA 26 3HB ALA 26 -8.874 -5.284 4.445 219 H GLU 27 H GLU 27 -9.929 -4.096 0.923 220 HA GLU 27 HA GLU 27 -9.018 -1.889 -0.261 221 HB2 GLU 27 2HB GLU 27 -11.370 -0.864 0.171 222 HB3 GLU 27 1HB GLU 27 -11.228 -2.354 -0.751 223 HG2 GLU 27 2HG GLU 27 -12.485 -3.452 0.702 224 HG3 GLU 27 1HG GLU 27 -11.483 -2.928 2.054 225 H LYS 28 H LYS 28 -9.818 -2.021 3.156 226 HA LYS 28 HA LYS 28 -9.920 0.634 3.838 227 HB2 LYS 28 2HB LYS 28 -8.381 -1.360 5.494 228 HB3 LYS 28 1HB LYS 28 -9.296 0.034 6.047 229 HG2 LYS 28 2HG LYS 28 -10.413 -2.503 4.875 230 HG3 LYS 28 1HG LYS 28 -10.507 -1.973 6.559 231 HD2 LYS 28 2HD LYS 28 -11.554 0.153 5.104 232 HD3 LYS 28 1HD LYS 28 -12.188 -1.281 4.294 233 HE2 LYS 28 2HE LYS 28 -12.919 -2.127 6.531 234 HE3 LYS 28 1HE LYS 28 -12.432 -0.578 7.218 235 HZ1 LYS 28 3HZ LYS 28 -14.886 -1.091 6.333 236 HZ2 LYS 28 1HZ LYS 28 -14.209 -0.433 4.925 237 HZ3 LYS 28 2HZ LYS 28 -14.216 0.461 6.362 238 H TYR 29 H TYR 29 -7.143 -1.156 2.769 239 HA TYR 29 HA TYR 29 -5.175 0.626 3.797 240 HB2 TYR 29 2HB TYR 29 -4.852 -1.254 1.446 241 HB3 TYR 29 1HB TYR 29 -3.573 -0.543 2.432 242 HD1 TYR 29 1HD TYR 29 -4.094 -0.986 5.106 243 HD2 TYR 29 2HD TYR 29 -5.191 -3.493 1.853 244 HE1 TYR 29 1HE TYR 29 -4.163 -2.912 6.621 245 HE2 TYR 29 2HE TYR 29 -5.264 -5.428 3.358 246 HH TYR 29 HH TYR 29 -5.520 -5.914 5.718 247 H PHE 30 H PHE 30 -6.413 0.229 0.437 248 HA PHE 30 HA PHE 30 -4.941 2.393 -0.568 249 HB2 PHE 30 2HB PHE 30 -6.397 2.358 -2.514 250 HB3 PHE 30 1HB PHE 30 -5.957 0.724 -2.049 251 HD1 PHE 30 2HD PHE 30 -8.694 3.140 -1.170 252 HD2 PHE 30 1HD PHE 30 -7.601 -0.801 -2.350 253 HE1 PHE 30 2HE PHE 30 -11.064 2.493 -1.184 254 HE2 PHE 30 1HE PHE 30 -9.974 -1.453 -2.372 255 HZ PHE 30 HZ PHE 30 -11.708 0.195 -1.788 256 H LYS 31 H LYS 31 -7.825 2.316 1.313 257 HA LYS 31 HA LYS 31 -8.616 5.014 0.633 258 HB2 LYS 31 2HB LYS 31 -9.830 2.789 1.923 259 HB3 LYS 31 1HB LYS 31 -9.815 4.119 3.073 260 HG2 LYS 31 2HG LYS 31 -10.803 5.528 1.188 261 HG3 LYS 31 1HG LYS 31 -11.113 3.994 0.374 262 HD2 LYS 31 2HD LYS 31 -12.817 3.474 1.744 263 HD3 LYS 31 1HD LYS 31 -11.968 4.059 3.176 264 HE2 LYS 31 2HE LYS 31 -12.463 6.400 1.965 265 HE3 LYS 31 1HE LYS 31 -13.830 5.466 1.358 266 HZ1 LYS 31 3HZ LYS 31 -13.301 5.253 4.208 267 HZ2 LYS 31 1HZ LYS 31 -14.775 5.364 3.384 268 HZ3 LYS 31 2HZ LYS 31 -13.861 6.757 3.672 269 H LEU 32 H LEU 32 -6.804 3.352 3.101 270 HA LEU 32 HA LEU 32 -6.640 5.560 4.906 271 HB2 LEU 32 2HB LEU 32 -5.822 2.808 4.820 272 HB3 LEU 32 1HB LEU 32 -4.467 3.807 5.334 273 HG LEU 32 HG LEU 32 -7.108 4.226 6.657 274 HD11 LEU 32 1HD1 LEU 32 -5.279 2.119 7.707 275 HD12 LEU 32 2HD1 LEU 32 -6.466 1.703 6.473 276 HD13 LEU 32 3HD1 LEU 32 -6.997 2.375 8.015 277 HD21 LEU 32 3HD2 LEU 32 -4.240 4.696 7.196 278 HD22 LEU 32 1HD2 LEU 32 -5.251 4.286 8.582 279 HD23 LEU 32 2HD2 LEU 32 -5.647 5.685 7.584 280 H ILE 33 H ILE 33 -4.563 4.223 2.376 281 HA ILE 33 HA ILE 33 -2.409 6.017 2.887 282 HB ILE 33 HB ILE 33 -1.582 5.273 0.628 283 HG12 ILE 33 2HG1 ILE 33 -3.152 2.915 0.399 284 HG13 ILE 33 1HG1 ILE 33 -4.260 4.280 0.451 285 HG21 ILE 33 1HG2 ILE 33 -0.604 3.457 1.571 286 HG22 ILE 33 2HG2 ILE 33 -2.126 2.820 2.193 287 HG23 ILE 33 3HG2 ILE 33 -1.323 4.152 3.024 288 HD11 ILE 33 3HD1 ILE 33 -2.734 5.316 -1.330 289 HD12 ILE 33 1HD1 ILE 33 -3.819 4.009 -1.806 290 HD13 ILE 33 2HD1 ILE 33 -2.109 3.681 -1.530 291 H ALA 34 H ALA 34 -5.034 5.959 0.489 292 HA ALA 34 HA ALA 34 -4.251 8.180 -1.003 293 HB1 ALA 34 1HB ALA 34 -7.136 7.589 -0.457 294 HB2 ALA 34 2HB ALA 34 -6.154 6.485 -1.418 295 HB3 ALA 34 3HB ALA 34 -6.376 8.153 -1.945 296 H ASN 35 H ASN 35 -5.663 7.946 2.149 297 HA ASN 35 HA ASN 35 -6.552 10.676 2.271 298 HB2 ASN 35 2HB ASN 35 -7.748 9.103 3.613 299 HB3 ASN 35 1HB ASN 35 -6.262 8.497 4.348 300 HD21 ASN 35 1HD2 ASN 35 -6.402 8.988 6.423 301 HD22 ASN 35 2HD2 ASN 35 -6.769 10.542 7.069 302 H ALA 36 H ALA 36 -3.603 8.969 2.875 303 HA ALA 36 HA ALA 36 -2.368 10.697 4.708 304 HB1 ALA 36 1HB ALA 36 -1.204 8.918 2.577 305 HB2 ALA 36 2HB ALA 36 -1.385 8.572 4.298 306 HB3 ALA 36 3HB ALA 36 -0.231 9.791 3.759 307 H LYS 37 H LYS 37 -1.283 12.586 4.509 308 HA LYS 37 HA LYS 37 -1.695 14.116 2.113 309 HB2 LYS 37 2HB LYS 37 -1.064 14.642 4.871 310 HB3 LYS 37 1HB LYS 37 0.079 15.493 3.831 311 HG2 LYS 37 2HG LYS 37 -1.846 16.885 4.386 312 HG3 LYS 37 1HG LYS 37 -1.762 16.554 2.650 313 HD2 LYS 37 2HD LYS 37 -3.309 14.499 3.471 314 HD3 LYS 37 1HD LYS 37 -3.772 15.728 4.640 315 HE2 LYS 37 2HE LYS 37 -3.963 17.250 2.527 316 HE3 LYS 37 1HE LYS 37 -4.089 15.721 1.673 317 HZ1 LYS 37 3HZ LYS 37 -6.230 16.828 2.442 318 HZ2 LYS 37 1HZ LYS 37 -5.805 16.324 4.000 319 HZ3 LYS 37 2HZ LYS 37 -6.048 15.180 2.781 320 H THR 38 H THR 38 0.908 12.296 3.520 321 HA THR 38 HA THR 38 2.778 13.347 1.515 322 HB THR 38 HB THR 38 4.491 12.067 2.894 323 HG1 THR 38 1HG THR 38 2.408 12.044 4.811 324 HG21 THR 38 3HG2 THR 38 3.190 14.557 3.520 325 HG22 THR 38 1HG2 THR 38 4.894 14.115 3.623 326 HG23 THR 38 2HG2 THR 38 3.812 13.775 4.975 327 H VAL 39 H VAL 39 3.683 12.063 -0.013 328 HA VAL 39 HA VAL 39 2.311 9.721 -0.796 329 HB VAL 39 HB VAL 39 4.052 9.482 -2.518 330 HG11 VAL 39 1HG1 VAL 39 2.211 11.523 -2.253 331 HG12 VAL 39 2HG1 VAL 39 3.055 11.065 -3.731 332 HG13 VAL 39 3HG1 VAL 39 3.692 12.359 -2.716 333 HG21 VAL 39 3HG2 VAL 39 5.386 11.765 -1.064 334 HG22 VAL 39 1HG2 VAL 39 5.859 11.161 -2.653 335 HG23 VAL 39 2HG2 VAL 39 6.002 10.121 -1.234 336 H GLU 40 H GLU 40 5.341 10.262 0.918 337 HA GLU 40 HA GLU 40 6.453 7.731 0.817 338 HB2 GLU 40 2HB GLU 40 6.476 9.612 3.183 339 HB3 GLU 40 1HB GLU 40 7.616 8.306 2.886 340 HG2 GLU 40 2HG GLU 40 8.779 9.482 1.355 341 HG3 GLU 40 1HG GLU 40 7.349 10.309 0.742 342 H GLY 41 H GLY 41 3.692 8.845 2.605 343 HA2 GLY 41 2HA GLY 41 3.617 6.630 4.439 344 HA3 GLY 41 1HA GLY 41 2.344 7.817 4.178 345 H VAL 42 H VAL 42 2.262 7.368 1.314 346 HA VAL 42 HA VAL 42 0.448 5.130 1.322 347 HB VAL 42 HB VAL 42 1.298 6.999 -0.887 348 HG11 VAL 42 1HG1 VAL 42 -0.989 6.058 -1.814 349 HG12 VAL 42 2HG1 VAL 42 -0.522 4.653 -0.856 350 HG13 VAL 42 3HG1 VAL 42 0.542 5.244 -2.130 351 HG21 VAL 42 3HG2 VAL 42 -0.650 7.178 1.261 352 HG22 VAL 42 1HG2 VAL 42 -1.366 7.429 -0.331 353 HG23 VAL 42 2HG2 VAL 42 -0.018 8.434 0.198 354 H TRP 43 H TRP 43 3.538 5.947 -0.223 355 HA TRP 43 HA TRP 43 3.701 3.570 -1.754 356 HB2 TRP 43 2HB TRP 43 5.721 5.641 -0.904 357 HB3 TRP 43 1HB TRP 43 6.232 4.210 -1.791 358 HD1 TRP 43 HD TRP 43 4.120 7.402 -2.228 359 HE1 TRP 43 1HE TRP 43 3.844 7.859 -4.740 360 HE3 TRP 43 3HE TRP 43 6.198 3.105 -4.073 361 HZ2 TRP 43 2HZ TRP 43 4.417 6.575 -7.181 362 HZ3 TRP 43 3HZ TRP 43 6.280 2.798 -6.514 363 HH2 TRP 43 HH TRP 43 5.411 4.497 -8.034 364 H THR 44 H THR 44 4.545 4.346 1.540 365 HA THR 44 HA THR 44 6.157 1.989 1.930 366 HB THR 44 HB THR 44 6.585 3.948 3.315 367 HG1 THR 44 1HG THR 44 5.471 1.879 4.898 368 HG21 THR 44 3HG2 THR 44 4.112 4.632 3.403 369 HG22 THR 44 1HG2 THR 44 5.114 4.900 4.828 370 HG23 THR 44 2HG2 THR 44 4.009 3.526 4.771 371 H LEU 45 H LEU 45 2.883 3.016 2.842 372 HA LEU 45 HA LEU 45 2.133 0.654 4.159 373 HB2 LEU 45 2HB LEU 45 0.859 3.070 3.245 374 HB3 LEU 45 1HB LEU 45 -0.159 1.690 2.875 375 HD11 LEU 45 1HD1 LEU 45 0.487 4.139 5.027 376 HD12 LEU 45 2HD1 LEU 45 1.575 3.184 6.034 377 HD13 LEU 45 3HD1 LEU 45 -0.092 3.453 6.545 378 HD21 LEU 45 3HD2 LEU 45 -1.775 2.348 5.887 379 HD22 LEU 45 1HD2 LEU 45 -1.637 0.822 5.014 380 HD23 LEU 45 2HD2 LEU 45 -1.819 2.334 4.124 381 H LYS 46 H LYS 46 2.056 1.598 0.769 382 HA LYS 46 HA LYS 46 0.605 -0.633 -0.174 383 HB2 LYS 46 2HB LYS 46 0.999 0.170 -2.297 384 HB3 LYS 46 1HB LYS 46 1.232 1.630 -1.352 385 HG2 LYS 46 2HG LYS 46 3.123 1.820 -2.527 386 HG3 LYS 46 1HG LYS 46 3.753 0.624 -1.396 387 HD2 LYS 46 2HD LYS 46 2.758 -1.095 -3.082 388 HD3 LYS 46 1HD LYS 46 2.814 0.261 -4.211 389 HE2 LYS 46 2HE LYS 46 5.077 -1.110 -2.796 390 HE3 LYS 46 1HE LYS 46 4.852 -0.847 -4.525 391 HZ1 LYS 46 3HZ LYS 46 5.978 0.907 -2.522 392 HZ2 LYS 46 1HZ LYS 46 4.916 1.665 -3.598 393 HZ3 LYS 46 2HZ LYS 46 6.268 0.837 -4.187 394 H ASP 47 H ASP 47 3.986 -0.083 0.551 395 HA ASP 47 HA ASP 47 5.055 -2.351 -0.742 396 HB2 ASP 47 2HB ASP 47 6.002 -0.893 1.739 397 HB3 ASP 47 1HB ASP 47 6.938 -2.112 0.883 398 H GLU 48 H GLU 48 3.482 -1.843 2.339 399 HA GLU 48 HA GLU 48 4.055 -4.405 3.442 400 HB2 GLU 48 2HB GLU 48 3.006 -2.091 4.435 401 HB3 GLU 48 1HB GLU 48 1.557 -3.076 4.287 402 HG2 GLU 48 2HG GLU 48 2.477 -4.758 5.700 403 HG3 GLU 48 1HG GLU 48 4.046 -3.964 5.721 404 H ILE 49 H ILE 49 1.664 -3.149 1.256 405 HA ILE 49 HA ILE 49 -0.189 -5.312 1.467 406 HB ILE 49 HB ILE 49 0.167 -3.458 -0.885 407 HG12 ILE 49 2HG1 ILE 49 -0.057 -2.219 1.268 408 HG13 ILE 49 1HG1 ILE 49 -1.400 -1.948 0.167 409 HG21 ILE 49 1HG2 ILE 49 -1.822 -4.203 -1.661 410 HG22 ILE 49 2HG2 ILE 49 -2.480 -4.468 -0.047 411 HG23 ILE 49 3HG2 ILE 49 -1.373 -5.644 -0.752 412 HD11 ILE 49 3HD1 ILE 49 -2.391 -2.210 2.255 413 HD12 ILE 49 1HD1 ILE 49 -1.336 -3.554 2.691 414 HD13 ILE 49 2HD1 ILE 49 -2.600 -3.781 1.481 415 H LYS 50 H LYS 50 2.732 -4.722 -0.329 416 HA LYS 50 HA LYS 50 2.308 -6.819 -2.246 417 HB2 LYS 50 2HB LYS 50 3.697 -4.866 -2.781 418 HB3 LYS 50 1HB LYS 50 4.829 -5.317 -1.512 419 HG2 LYS 50 2HG LYS 50 4.804 -7.593 -2.946 420 HG3 LYS 50 1HG LYS 50 4.478 -6.415 -4.219 421 HD2 LYS 50 2HD LYS 50 6.510 -5.241 -2.766 422 HD3 LYS 50 1HD LYS 50 6.930 -6.951 -2.759 423 HE2 LYS 50 2HE LYS 50 7.050 -7.055 -5.090 424 HE3 LYS 50 1HE LYS 50 6.138 -5.563 -5.290 425 HZ1 LYS 50 3HZ LYS 50 8.337 -4.994 -5.744 426 HZ2 LYS 50 1HZ LYS 50 8.945 -5.882 -4.439 427 HZ3 LYS 50 2HZ LYS 50 8.091 -4.448 -4.162 428 H THR 51 H THR 51 3.860 -6.506 0.880 429 HA THR 51 HA THR 51 4.974 -9.200 0.676 430 HB THR 51 HB THR 51 5.188 -7.551 3.157 431 HG1 THR 51 1HG THR 51 6.960 -6.454 2.199 432 HG21 THR 51 3HG2 THR 51 7.189 -8.605 3.501 433 HG22 THR 51 1HG2 THR 51 7.416 -8.966 1.790 434 HG23 THR 51 2HG2 THR 51 6.241 -9.876 2.734 435 H PHE 52 H PHE 52 2.772 -7.343 2.755 436 HA PHE 52 HA PHE 52 1.122 -7.969 4.181 437 HB2 PHE 52 2HB PHE 52 0.878 -9.599 1.824 438 HB3 PHE 52 1HB PHE 52 0.343 -10.501 3.234 439 HD1 PHE 52 1HD PHE 52 -0.073 -7.212 1.565 440 HD2 PHE 52 2HD PHE 52 -1.812 -10.205 4.019 441 HE1 PHE 52 1HE PHE 52 -2.221 -6.008 1.493 442 HE2 PHE 52 2HE PHE 52 -3.966 -9.017 3.962 443 HZ PHE 52 HZ PHE 52 -4.171 -6.916 2.696 444 H THR 53 H THR 53 3.939 -9.043 4.553 445 HA THR 53 HA THR 53 5.086 -10.333 6.006 446 HB THR 53 HB THR 53 2.385 -10.241 7.351 447 HG1 THR 53 1HG THR 53 3.450 -8.293 7.339 448 HG21 THR 53 3HG2 THR 53 3.170 -11.185 9.311 449 HG22 THR 53 1HG2 THR 53 4.858 -11.045 8.822 450 HG23 THR 53 2HG2 THR 53 3.812 -12.250 8.065 451 H VAL 54 H VAL 54 2.027 -12.040 6.517 452 HA VAL 54 HA VAL 54 3.268 -14.442 5.356 453 HB VAL 54 HB VAL 54 1.610 -15.711 6.746 454 HG11 VAL 54 1HG1 VAL 54 4.066 -14.970 7.369 455 HG12 VAL 54 2HG1 VAL 54 3.036 -15.823 8.528 456 HG13 VAL 54 3HG1 VAL 54 3.214 -14.068 8.628 457 HG21 VAL 54 3HG2 VAL 54 1.199 -13.046 8.100 458 HG22 VAL 54 1HG2 VAL 54 0.492 -14.591 8.576 459 HG23 VAL 54 2HG2 VAL 54 0.023 -13.840 7.052 460 H THR 55 H THR 55 1.932 -15.894 4.155 461 HA THR 55 HA THR 55 -0.249 -14.499 2.765 462 HB THR 55 HB THR 55 0.949 -17.056 1.775 463 HG1 THR 55 1HG THR 55 2.145 -14.495 1.646 464 HG21 THR 55 3HG2 THR 55 -0.942 -15.999 0.578 465 HG22 THR 55 1HG2 THR 55 0.524 -16.152 -0.396 466 HG23 THR 55 2HG2 THR 55 0.080 -14.591 0.294 467 H GLU 56 H GLU 56 -2.177 -15.665 2.215 468 HA GLU 56 HA GLU 56 -2.733 -17.955 3.990 469 HB2 GLU 56 2HB GLU 56 -3.796 -15.918 4.865 470 HB3 GLU 56 1HB GLU 56 -4.611 -15.682 3.325 471 HG2 GLU 56 2HG GLU 56 -5.006 -18.244 4.766 472 HG3 GLU 56 1HG GLU 56 -5.831 -16.797 5.345 Start of MODEL 2 1 H1 THR 1 1HT THR 1 7.210 21.206 -24.285 2 H2 THR 1 2HT THR 1 7.773 22.550 -23.380 3 H3 THR 1 3HT THR 1 6.362 21.710 -22.882 4 HA THR 1 HA THR 1 9.129 20.714 -22.908 5 HB THR 1 HB THR 1 8.872 20.692 -20.502 6 HG1 THR 1 1HG THR 1 6.269 21.742 -20.887 7 HG21 THR 1 3HG2 THR 1 7.850 23.323 -21.539 8 HG22 THR 1 1HG2 THR 1 9.545 22.845 -21.443 9 HG23 THR 1 2HG2 THR 1 8.597 23.032 -19.968 10 H THR 2 H THR 2 5.809 19.943 -21.838 11 HA THR 2 HA THR 2 4.670 17.979 -21.701 12 HB THR 2 HB THR 2 6.571 16.862 -23.754 13 HG1 THR 2 1HG THR 2 5.357 17.897 -25.319 14 HG21 THR 2 3HG2 THR 2 5.127 15.187 -23.752 15 HG22 THR 2 1HG2 THR 2 3.950 16.299 -24.450 16 HG23 THR 2 2HG2 THR 2 4.011 16.060 -22.703 17 H TYR 3 H TYR 3 7.006 18.423 -20.003 18 HA TYR 3 HA TYR 3 7.279 15.718 -19.023 19 HB2 TYR 3 2HB TYR 3 9.153 16.194 -20.757 20 HB3 TYR 3 1HB TYR 3 9.842 17.213 -19.497 21 HD1 TYR 3 1HD TYR 3 9.808 15.934 -17.079 22 HD2 TYR 3 2HD TYR 3 10.046 14.082 -20.901 23 HE1 TYR 3 1HE TYR 3 10.857 13.962 -16.052 24 HE2 TYR 3 2HE TYR 3 11.096 12.104 -19.884 25 HH TYR 3 HH TYR 3 10.947 11.191 -17.057 26 H LYS 4 H LYS 4 6.024 16.820 -17.365 27 HA LYS 4 HA LYS 4 7.680 18.513 -15.612 28 HB2 LYS 4 2HB LYS 4 5.610 19.411 -14.697 29 HB3 LYS 4 1HB LYS 4 5.641 19.616 -16.443 30 HG2 LYS 4 2HG LYS 4 4.306 17.217 -15.287 31 HG3 LYS 4 1HG LYS 4 3.485 18.778 -15.236 32 HD2 LYS 4 2HD LYS 4 2.997 18.696 -17.415 33 HD3 LYS 4 1HD LYS 4 4.646 18.235 -17.841 34 HE2 LYS 4 2HE LYS 4 2.947 16.546 -18.482 35 HE3 LYS 4 1HE LYS 4 4.180 15.925 -17.385 36 HZ1 LYS 4 3HZ LYS 4 1.758 16.995 -16.169 37 HZ2 LYS 4 1HZ LYS 4 2.695 15.660 -15.722 38 HZ3 LYS 4 2HZ LYS 4 1.600 15.533 -17.004 39 H LEU 5 H LEU 5 7.815 18.040 -13.424 40 HA LEU 5 HA LEU 5 7.319 15.274 -12.751 41 HB2 LEU 5 2HB LEU 5 8.972 15.497 -11.248 42 HB3 LEU 5 1HB LEU 5 9.342 16.952 -12.148 43 HG LEU 5 HG LEU 5 7.845 18.168 -10.449 44 HD11 LEU 5 1HD1 LEU 5 6.976 17.070 -8.718 45 HD12 LEU 5 2HD1 LEU 5 8.482 16.205 -8.406 46 HD13 LEU 5 3HD1 LEU 5 7.342 15.592 -9.607 47 HD21 LEU 5 3HD2 LEU 5 10.559 17.027 -9.968 48 HD22 LEU 5 1HD2 LEU 5 9.776 17.970 -8.699 49 HD23 LEU 5 2HD2 LEU 5 10.078 18.695 -10.278 50 H ILE 6 H ILE 6 5.465 14.615 -11.935 51 HA ILE 6 HA ILE 6 3.586 16.484 -10.809 52 HB ILE 6 HB ILE 6 2.861 14.649 -12.302 53 HG12 ILE 6 2HG1 ILE 6 0.915 13.969 -10.959 54 HG13 ILE 6 1HG1 ILE 6 1.736 14.513 -9.499 55 HG21 ILE 6 1HG2 ILE 6 3.338 12.765 -10.012 56 HG22 ILE 6 2HG2 ILE 6 4.515 12.995 -11.306 57 HG23 ILE 6 3HG2 ILE 6 2.903 12.383 -11.678 58 HD11 ILE 6 3HD1 ILE 6 0.987 16.567 -9.803 59 HD12 ILE 6 1HD1 ILE 6 0.071 15.994 -11.197 60 HD13 ILE 6 2HD1 ILE 6 1.701 16.628 -11.414 61 H LEU 7 H LEU 7 3.608 17.058 -8.747 62 HA LEU 7 HA LEU 7 4.702 15.181 -6.763 63 HB2 LEU 7 2HB LEU 7 5.029 17.148 -5.328 64 HB3 LEU 7 1HB LEU 7 5.896 17.280 -6.846 65 HG LEU 7 HG LEU 7 3.332 18.501 -7.166 66 HD11 LEU 7 1HD1 LEU 7 2.963 19.128 -5.025 67 HD12 LEU 7 2HD1 LEU 7 4.084 20.414 -5.466 68 HD13 LEU 7 3HD1 LEU 7 4.664 19.005 -4.579 69 HD21 LEU 7 3HD2 LEU 7 6.195 19.205 -7.396 70 HD22 LEU 7 1HD2 LEU 7 5.050 20.543 -7.253 71 HD23 LEU 7 2HD2 LEU 7 4.887 19.376 -8.562 72 H ASN 8 H ASN 8 2.774 13.990 -6.519 73 HA ASN 8 HA ASN 8 0.873 15.243 -4.713 74 HB2 ASN 8 2HB ASN 8 0.267 14.733 -7.496 75 HB3 ASN 8 1HB ASN 8 -0.782 13.773 -6.446 76 HD21 ASN 8 1HD2 ASN 8 -1.980 14.911 -4.796 77 HD22 ASN 8 2HD2 ASN 8 -2.475 16.542 -5.080 78 H LEU 9 H LEU 9 -0.780 13.544 -3.975 79 HA LEU 9 HA LEU 9 0.726 11.198 -3.186 80 HB2 LEU 9 2HB LEU 9 -1.404 10.759 -1.827 81 HB3 LEU 9 1HB LEU 9 -0.369 12.097 -1.367 82 HG LEU 9 HG LEU 9 -2.604 12.711 -3.217 83 HD11 LEU 9 1HD1 LEU 9 -4.054 11.618 -1.893 84 HD12 LEU 9 2HD1 LEU 9 -3.852 13.028 -0.853 85 HD13 LEU 9 3HD1 LEU 9 -2.932 11.557 -0.534 86 HD21 LEU 9 3HD2 LEU 9 -2.356 14.810 -2.415 87 HD22 LEU 9 1HD2 LEU 9 -0.757 14.215 -1.970 88 HD23 LEU 9 2HD2 LEU 9 -2.046 14.261 -0.768 89 H LYS 10 H LYS 10 -1.973 12.026 -5.228 90 HA LYS 10 HA LYS 10 -3.377 9.769 -5.620 91 HB2 LYS 10 2HB LYS 10 -2.294 11.475 -7.865 92 HB3 LYS 10 1HB LYS 10 -3.708 10.435 -7.943 93 HG2 LYS 10 2HG LYS 10 -3.377 12.931 -6.297 94 HG3 LYS 10 1HG LYS 10 -4.433 12.697 -7.691 95 HD2 LYS 10 2HD LYS 10 -5.250 10.682 -6.057 96 HD3 LYS 10 1HD LYS 10 -4.807 11.921 -4.883 97 HE2 LYS 10 2HE LYS 10 -6.819 12.809 -5.242 98 HE3 LYS 10 1HE LYS 10 -6.211 13.314 -6.818 99 HZ1 LYS 10 3HZ LYS 10 -7.338 11.679 -7.879 100 HZ2 LYS 10 1HZ LYS 10 -8.368 11.836 -6.545 101 HZ3 LYS 10 2HZ LYS 10 -7.226 10.587 -6.592 102 H GLN 11 H GLN 11 -0.263 10.426 -7.252 103 HA GLN 11 HA GLN 11 -0.009 8.120 -8.725 104 HB2 GLN 11 2HB GLN 11 2.509 8.375 -8.251 105 HB3 GLN 11 1HB GLN 11 1.681 9.713 -9.034 106 HG2 GLN 11 2HG GLN 11 1.730 11.029 -7.115 107 HG3 GLN 11 1HG GLN 11 2.042 9.646 -6.064 108 HE21 GLN 11 1HE2 GLN 11 3.900 10.293 -5.133 109 HE22 GLN 11 2HE2 GLN 11 5.369 10.597 -5.990 110 H ALA 12 H ALA 12 0.544 8.593 -5.294 111 HA ALA 12 HA ALA 12 1.519 5.916 -4.863 112 HB1 ALA 12 1HB ALA 12 1.967 6.567 -2.722 113 HB2 ALA 12 2HB ALA 12 0.531 7.586 -2.612 114 HB3 ALA 12 3HB ALA 12 1.947 8.147 -3.505 115 H LYS 13 H LYS 13 -1.536 7.619 -4.674 116 HA LYS 13 HA LYS 13 -2.951 5.743 -3.144 117 HB2 LYS 13 2HB LYS 13 -4.324 7.513 -3.284 118 HB3 LYS 13 1HB LYS 13 -3.564 8.092 -4.759 119 HG2 LYS 13 2HG LYS 13 -5.475 5.793 -4.858 120 HG3 LYS 13 1HG LYS 13 -6.071 7.452 -4.766 121 HD2 LYS 13 2HD LYS 13 -4.009 7.356 -6.712 122 HD3 LYS 13 1HD LYS 13 -5.129 6.031 -7.037 123 HE2 LYS 13 2HE LYS 13 -5.960 8.898 -6.611 124 HE3 LYS 13 1HE LYS 13 -5.704 8.165 -8.194 125 HZ1 LYS 13 3HZ LYS 13 -7.632 7.111 -6.202 126 HZ2 LYS 13 1HZ LYS 13 -7.487 6.668 -7.828 127 HZ3 LYS 13 2HZ LYS 13 -8.058 8.205 -7.418 128 H GLU 14 H GLU 14 -2.166 5.945 -6.558 129 HA GLU 14 HA GLU 14 -3.785 3.691 -7.313 130 HB2 GLU 14 2HB GLU 14 -1.492 4.987 -8.812 131 HB3 GLU 14 1HB GLU 14 -2.655 3.853 -9.481 132 HG2 GLU 14 2HG GLU 14 -3.419 6.525 -8.346 133 HG3 GLU 14 1HG GLU 14 -3.033 6.261 -10.043 134 H GLU 15 H GLU 15 -0.509 4.275 -6.264 135 HA GLU 15 HA GLU 15 0.784 1.947 -7.025 136 HB2 GLU 15 2HB GLU 15 1.105 3.974 -4.912 137 HB3 GLU 15 1HB GLU 15 1.830 2.415 -4.542 138 HG2 GLU 15 2HG GLU 15 2.376 4.106 -6.970 139 HG3 GLU 15 1HG GLU 15 3.432 3.898 -5.568 140 H ALA 16 H ALA 16 -1.093 2.567 -4.072 141 HA ALA 16 HA ALA 16 -0.854 -0.107 -3.100 142 HB1 ALA 16 1HB ALA 16 -2.285 0.568 -1.333 143 HB2 ALA 16 2HB ALA 16 -2.911 1.925 -2.269 144 HB3 ALA 16 3HB ALA 16 -1.244 1.945 -1.694 145 H ILE 17 H ILE 17 -3.369 1.713 -4.802 146 HA ILE 17 HA ILE 17 -5.406 -0.181 -4.715 147 HB ILE 17 HB ILE 17 -4.737 2.069 -6.554 148 HG12 ILE 17 2HG1 ILE 17 -7.197 1.330 -4.962 149 HG13 ILE 17 1HG1 ILE 17 -5.940 2.454 -4.456 150 HG21 ILE 17 1HG2 ILE 17 -5.453 0.439 -8.173 151 HG22 ILE 17 2HG2 ILE 17 -6.752 1.606 -7.930 152 HG23 ILE 17 3HG2 ILE 17 -6.852 0.012 -7.187 153 HD11 ILE 17 3HD1 ILE 17 -7.897 3.632 -5.263 154 HD12 ILE 17 1HD1 ILE 17 -7.775 2.801 -6.813 155 HD13 ILE 17 2HD1 ILE 17 -6.512 3.926 -6.315 156 H LYS 18 H LYS 18 -2.796 0.205 -7.114 157 HA LYS 18 HA LYS 18 -3.580 -1.901 -8.799 158 HB2 LYS 18 2HB LYS 18 -0.894 -0.642 -8.250 159 HB3 LYS 18 1HB LYS 18 -1.108 -1.917 -9.440 160 HG2 LYS 18 2HG LYS 18 -2.940 0.380 -9.668 161 HG3 LYS 18 1HG LYS 18 -1.240 0.698 -10.015 162 HD2 LYS 18 2HD LYS 18 -1.733 -0.031 -12.080 163 HD3 LYS 18 1HD LYS 18 -1.655 -1.640 -11.360 164 HE2 LYS 18 2HE LYS 18 -3.698 -1.581 -12.524 165 HE3 LYS 18 1HE LYS 18 -4.122 -1.355 -10.828 166 HZ1 LYS 18 3HZ LYS 18 -3.642 1.151 -12.039 167 HZ2 LYS 18 1HZ LYS 18 -5.062 0.573 -11.322 168 HZ3 LYS 18 2HZ LYS 18 -4.768 0.290 -12.963 169 H GLU 19 H GLU 19 -1.214 -1.829 -6.152 170 HA GLU 19 HA GLU 19 -0.525 -4.545 -6.220 171 HB2 GLU 19 2HB GLU 19 -0.587 -2.771 -3.775 172 HB3 GLU 19 1HB GLU 19 0.426 -4.186 -4.036 173 HG2 GLU 19 2HG GLU 19 0.689 -2.014 -6.013 174 HG3 GLU 19 1HG GLU 19 1.259 -1.660 -4.383 175 H LEU 20 H LEU 20 -3.068 -2.790 -4.538 176 HA LEU 20 HA LEU 20 -3.963 -4.856 -2.893 177 HB2 LEU 20 2HB LEU 20 -4.923 -2.247 -3.739 178 HB3 LEU 20 1HB LEU 20 -6.237 -3.385 -3.512 179 HG LEU 20 HG LEU 20 -5.339 -3.851 -1.220 180 HD11 LEU 20 1HD1 LEU 20 -3.070 -2.670 -2.067 181 HD12 LEU 20 2HD1 LEU 20 -3.520 -2.869 -0.370 182 HD13 LEU 20 3HD1 LEU 20 -3.837 -1.337 -1.195 183 HD21 LEU 20 3HD2 LEU 20 -7.202 -2.275 -1.693 184 HD22 LEU 20 1HD2 LEU 20 -6.023 -0.965 -1.684 185 HD23 LEU 20 2HD2 LEU 20 -6.299 -1.912 -0.224 186 H VAL 21 H VAL 21 -4.412 -4.323 -6.290 187 HA VAL 21 HA VAL 21 -6.659 -6.132 -6.496 188 HB VAL 21 HB VAL 21 -5.095 -5.504 -8.938 189 HG11 VAL 21 1HG1 VAL 21 -7.137 -5.609 -9.979 190 HG12 VAL 21 2HG1 VAL 21 -8.011 -5.033 -8.559 191 HG13 VAL 21 3HG1 VAL 21 -7.408 -6.690 -8.611 192 HG21 VAL 21 3HG2 VAL 21 -6.400 -3.257 -8.994 193 HG22 VAL 21 1HG2 VAL 21 -4.864 -3.348 -8.132 194 HG23 VAL 21 2HG2 VAL 21 -6.384 -3.409 -7.238 195 H ASP 22 H ASP 22 -3.192 -6.237 -6.794 196 HA ASP 22 HA ASP 22 -2.978 -8.721 -8.128 197 HB2 ASP 22 2HB ASP 22 -1.217 -6.756 -7.359 198 HB3 ASP 22 1HB ASP 22 -0.792 -8.082 -6.281 199 H ALA 23 H ALA 23 -3.621 -7.879 -4.822 200 HA ALA 23 HA ALA 23 -3.669 -10.750 -4.165 201 HB1 ALA 23 1HB ALA 23 -2.750 -8.889 -2.029 202 HB2 ALA 23 2HB ALA 23 -1.600 -9.355 -3.284 203 HB3 ALA 23 3HB ALA 23 -2.368 -10.591 -2.291 204 H GLY 24 H GLY 24 -5.153 -11.361 -2.499 205 HA2 GLY 24 2HA GLY 24 -7.650 -10.261 -2.547 206 HA3 GLY 24 1HA GLY 24 -7.034 -11.173 -1.177 207 H THR 25 H THR 25 -5.071 -9.450 -0.267 208 HA THR 25 HA THR 25 -5.028 -7.893 1.456 209 HB THR 25 HB THR 25 -4.079 -6.940 -0.605 210 HG1 THR 25 1HG THR 25 -4.261 -4.753 0.083 211 HG21 THR 25 3HG2 THR 25 -6.385 -6.901 -1.756 212 HG22 THR 25 1HG2 THR 25 -5.238 -5.613 -2.076 213 HG23 THR 25 2HG2 THR 25 -6.568 -5.341 -0.961 214 H ALA 26 H ALA 26 -6.329 -5.237 1.160 215 HA ALA 26 HA ALA 26 -9.158 -5.689 1.478 216 HB1 ALA 26 1HB ALA 26 -7.828 -4.413 3.828 217 HB2 ALA 26 2HB ALA 26 -7.881 -6.173 3.716 218 HB3 ALA 26 3HB ALA 26 -9.381 -5.245 3.730 219 H GLU 27 H GLU 27 -10.266 -3.941 0.838 220 HA GLU 27 HA GLU 27 -9.142 -1.801 -0.458 221 HB2 GLU 27 2HB GLU 27 -11.395 -0.642 0.039 222 HB3 GLU 27 1HB GLU 27 -11.407 -2.141 -0.879 223 HG2 GLU 27 2HG GLU 27 -11.602 -2.818 1.856 224 HG3 GLU 27 1HG GLU 27 -12.745 -1.511 1.545 225 H LYS 28 H LYS 28 -9.869 -2.088 2.947 226 HA LYS 28 HA LYS 28 -9.835 0.470 3.865 227 HB2 LYS 28 2HB LYS 28 -8.274 -1.732 5.225 228 HB3 LYS 28 1HB LYS 28 -9.033 -0.337 5.972 229 HG2 LYS 28 2HG LYS 28 -10.511 -2.579 4.606 230 HG3 LYS 28 1HG LYS 28 -10.282 -2.416 6.344 231 HD2 LYS 28 2HD LYS 28 -11.326 -0.022 5.878 232 HD3 LYS 28 1HD LYS 28 -12.030 -0.874 4.499 233 HE2 LYS 28 2HE LYS 28 -13.449 -0.844 6.563 234 HE3 LYS 28 1HE LYS 28 -13.095 -2.452 5.933 235 HZ1 LYS 28 3HZ LYS 28 -12.801 -1.789 8.481 236 HZ2 LYS 28 1HZ LYS 28 -11.248 -1.424 7.931 237 HZ3 LYS 28 2HZ LYS 28 -11.867 -2.983 7.732 238 H TYR 29 H TYR 29 -7.098 -1.248 2.550 239 HA TYR 29 HA TYR 29 -5.117 0.486 3.646 240 HB2 TYR 29 2HB TYR 29 -4.803 -1.242 1.183 241 HB3 TYR 29 1HB TYR 29 -3.529 -0.608 2.226 242 HD1 TYR 29 1HD TYR 29 -4.061 -1.240 4.857 243 HD2 TYR 29 2HD TYR 29 -5.164 -3.496 1.427 244 HE1 TYR 29 1HE TYR 29 -4.154 -3.272 6.230 245 HE2 TYR 29 2HE TYR 29 -5.260 -5.533 2.787 246 HH TYR 29 HH TYR 29 -5.583 -6.142 5.176 247 H PHE 30 H PHE 30 -6.408 0.267 0.291 248 HA PHE 30 HA PHE 30 -4.955 2.476 -0.629 249 HB2 PHE 30 2HB PHE 30 -6.412 2.527 -2.552 250 HB3 PHE 30 1HB PHE 30 -6.048 0.859 -2.142 251 HD1 PHE 30 2HD PHE 30 -8.661 3.367 -1.132 252 HD2 PHE 30 1HD PHE 30 -7.780 -0.561 -2.511 253 HE1 PHE 30 2HE PHE 30 -11.057 2.836 -1.137 254 HE2 PHE 30 1HE PHE 30 -10.179 -1.098 -2.521 255 HZ PHE 30 HZ PHE 30 -11.821 0.602 -1.834 256 H LYS 31 H LYS 31 -7.794 2.325 1.320 257 HA LYS 31 HA LYS 31 -8.573 5.061 0.785 258 HB2 LYS 31 2HB LYS 31 -9.698 2.773 2.189 259 HB3 LYS 31 1HB LYS 31 -9.854 4.254 3.123 260 HG2 LYS 31 2HG LYS 31 -10.611 5.002 0.572 261 HG3 LYS 31 1HG LYS 31 -11.290 3.385 0.762 262 HD2 LYS 31 2HD LYS 31 -11.632 5.139 3.091 263 HD3 LYS 31 1HD LYS 31 -12.469 5.680 1.635 264 HE2 LYS 31 2HE LYS 31 -13.927 4.267 2.954 265 HE3 LYS 31 1HE LYS 31 -13.519 3.466 1.439 266 HZ1 LYS 31 3HZ LYS 31 -12.712 2.796 4.170 267 HZ2 LYS 31 1HZ LYS 31 -11.629 2.451 2.920 268 HZ3 LYS 31 2HZ LYS 31 -13.180 1.776 2.906 269 H LEU 32 H LEU 32 -6.742 3.270 3.147 270 HA LEU 32 HA LEU 32 -6.551 5.396 5.050 271 HB2 LEU 32 2HB LEU 32 -5.778 2.640 4.847 272 HB3 LEU 32 1HB LEU 32 -4.401 3.593 5.390 273 HG LEU 32 HG LEU 32 -6.966 4.116 6.773 274 HD11 LEU 32 1HD1 LEU 32 -6.594 1.537 6.357 275 HD12 LEU 32 2HD1 LEU 32 -7.151 2.151 7.917 276 HD13 LEU 32 3HD1 LEU 32 -5.453 1.731 7.687 277 HD21 LEU 32 3HD2 LEU 32 -4.892 5.256 7.380 278 HD22 LEU 32 1HD2 LEU 32 -4.131 3.700 7.714 279 HD23 LEU 32 2HD2 LEU 32 -5.484 4.251 8.704 280 H ILE 33 H ILE 33 -4.719 4.356 2.268 281 HA ILE 33 HA ILE 33 -2.477 6.071 2.912 282 HB ILE 33 HB ILE 33 -1.622 5.346 0.658 283 HG12 ILE 33 2HG1 ILE 33 -3.160 2.964 0.422 284 HG13 ILE 33 1HG1 ILE 33 -4.280 4.320 0.447 285 HG21 ILE 33 1HG2 ILE 33 -0.729 3.389 1.523 286 HG22 ILE 33 2HG2 ILE 33 -2.210 2.981 2.390 287 HG23 ILE 33 3HG2 ILE 33 -1.185 4.294 2.967 288 HD11 ILE 33 3HD1 ILE 33 -2.090 3.732 -1.493 289 HD12 ILE 33 1HD1 ILE 33 -2.741 5.359 -1.314 290 HD13 ILE 33 2HD1 ILE 33 -3.800 4.034 -1.799 291 H ALA 34 H ALA 34 -5.063 5.983 0.470 292 HA ALA 34 HA ALA 34 -4.300 8.194 -1.026 293 HB1 ALA 34 1HB ALA 34 -7.177 7.577 -0.438 294 HB2 ALA 34 2HB ALA 34 -6.193 6.521 -1.452 295 HB3 ALA 34 3HB ALA 34 -6.459 8.200 -1.924 296 H ASN 35 H ASN 35 -5.649 8.010 2.150 297 HA ASN 35 HA ASN 35 -6.531 10.750 2.233 298 HB2 ASN 35 2HB ASN 35 -7.733 9.190 3.594 299 HB3 ASN 35 1HB ASN 35 -6.248 8.610 4.353 300 HD21 ASN 35 1HD2 ASN 35 -5.578 9.555 6.168 301 HD22 ASN 35 2HD2 ASN 35 -6.274 10.968 6.867 302 H ALA 36 H ALA 36 -3.598 9.020 2.849 303 HA ALA 36 HA ALA 36 -2.342 10.762 4.654 304 HB1 ALA 36 1HB ALA 36 -1.215 8.924 2.557 305 HB2 ALA 36 2HB ALA 36 -1.373 8.629 4.288 306 HB3 ALA 36 3HB ALA 36 -0.215 9.819 3.699 307 H LYS 37 H LYS 37 -1.391 12.697 4.434 308 HA LYS 37 HA LYS 37 -1.732 14.152 1.993 309 HB2 LYS 37 2HB LYS 37 -0.988 14.736 4.757 310 HB3 LYS 37 1HB LYS 37 -0.076 15.695 3.589 311 HG2 LYS 37 2HG LYS 37 -1.826 16.993 3.156 312 HG3 LYS 37 1HG LYS 37 -2.896 15.610 2.941 313 HD2 LYS 37 2HD LYS 37 -3.201 15.443 5.349 314 HD3 LYS 37 1HD LYS 37 -2.089 16.794 5.593 315 HE2 LYS 37 2HE LYS 37 -4.301 17.346 3.746 316 HE3 LYS 37 1HE LYS 37 -4.796 17.018 5.406 317 HZ1 LYS 37 3HZ LYS 37 -3.876 18.918 6.144 318 HZ2 LYS 37 1HZ LYS 37 -4.057 19.416 4.537 319 HZ3 LYS 37 2HZ LYS 37 -2.561 18.848 5.084 320 H THR 38 H THR 38 0.838 12.337 3.439 321 HA THR 38 HA THR 38 2.747 13.394 1.471 322 HB THR 38 HB THR 38 4.460 12.194 2.875 323 HG1 THR 38 1HG THR 38 3.817 11.506 4.912 324 HG21 THR 38 3HG2 THR 38 4.629 13.829 4.551 325 HG22 THR 38 1HG2 THR 38 2.892 14.140 4.540 326 HG23 THR 38 2HG2 THR 38 3.886 14.633 3.168 327 H VAL 39 H VAL 39 3.671 12.115 -0.042 328 HA VAL 39 HA VAL 39 2.332 9.754 -0.824 329 HB VAL 39 HB VAL 39 4.131 9.515 -2.509 330 HG11 VAL 39 1HG1 VAL 39 3.809 12.138 -3.224 331 HG12 VAL 39 2HG1 VAL 39 2.451 11.875 -2.131 332 HG13 VAL 39 3HG1 VAL 39 2.657 10.842 -3.546 333 HG21 VAL 39 3HG2 VAL 39 5.644 11.720 -2.485 334 HG22 VAL 39 1HG2 VAL 39 6.137 10.212 -1.717 335 HG23 VAL 39 2HG2 VAL 39 5.431 11.504 -0.748 336 H GLU 40 H GLU 40 5.358 10.335 0.890 337 HA GLU 40 HA GLU 40 6.487 7.812 0.819 338 HB2 GLU 40 2HB GLU 40 6.495 9.675 3.198 339 HB3 GLU 40 1HB GLU 40 7.673 8.419 2.845 340 HG2 GLU 40 2HG GLU 40 8.886 9.900 1.749 341 HG3 GLU 40 1HG GLU 40 7.578 10.086 0.583 342 H GLY 41 H GLY 41 3.729 8.930 2.614 343 HA2 GLY 41 2HA GLY 41 3.669 6.728 4.460 344 HA3 GLY 41 1HA GLY 41 2.388 7.904 4.191 345 H VAL 42 H VAL 42 2.220 7.469 1.364 346 HA VAL 42 HA VAL 42 0.449 5.207 1.390 347 HB VAL 42 HB VAL 42 1.273 7.069 -0.837 348 HG11 VAL 42 1HG1 VAL 42 -0.983 6.093 -1.780 349 HG12 VAL 42 2HG1 VAL 42 -0.531 4.705 -0.790 350 HG13 VAL 42 3HG1 VAL 42 0.553 5.273 -2.056 351 HG21 VAL 42 3HG2 VAL 42 -0.588 7.307 1.339 352 HG22 VAL 42 1HG2 VAL 42 -1.438 7.372 -0.205 353 HG23 VAL 42 2HG2 VAL 42 -0.124 8.501 0.126 354 H TRP 43 H TRP 43 3.508 6.031 -0.224 355 HA TRP 43 HA TRP 43 3.681 3.644 -1.720 356 HB2 TRP 43 2HB TRP 43 5.686 5.729 -0.887 357 HB3 TRP 43 1HB TRP 43 6.223 4.277 -1.726 358 HD1 TRP 43 HD TRP 43 4.126 7.455 -2.291 359 HE1 TRP 43 1HE TRP 43 3.868 7.824 -4.819 360 HE3 TRP 43 3HE TRP 43 6.181 3.080 -3.970 361 HZ2 TRP 43 2HZ TRP 43 4.444 6.450 -7.209 362 HZ3 TRP 43 3HZ TRP 43 6.274 2.684 -6.397 363 HH2 TRP 43 HH TRP 43 5.426 4.336 -7.980 364 H THR 44 H THR 44 4.509 4.438 1.567 365 HA THR 44 HA THR 44 6.141 2.125 2.020 366 HB THR 44 HB THR 44 5.719 2.757 4.471 367 HG1 THR 44 1HG THR 44 3.845 3.935 4.257 368 HG21 THR 44 3HG2 THR 44 7.021 4.611 2.518 369 HG22 THR 44 1HG2 THR 44 7.765 3.492 3.659 370 HG23 THR 44 2HG2 THR 44 6.990 4.963 4.246 371 H LEU 45 H LEU 45 2.801 3.041 2.797 372 HA LEU 45 HA LEU 45 2.108 0.653 4.115 373 HB2 LEU 45 2HB LEU 45 0.866 3.067 3.554 374 HB3 LEU 45 1HB LEU 45 -0.097 1.893 2.676 375 HD11 LEU 45 1HD1 LEU 45 0.049 3.187 6.278 376 HD12 LEU 45 2HD1 LEU 45 1.576 2.480 5.752 377 HD13 LEU 45 3HD1 LEU 45 0.508 1.574 6.825 378 HD21 LEU 45 3HD2 LEU 45 -2.097 1.874 5.657 379 HD22 LEU 45 1HD2 LEU 45 -2.101 1.602 3.914 380 HD23 LEU 45 2HD2 LEU 45 -1.643 3.178 4.558 381 H LYS 46 H LYS 46 1.792 1.643 0.718 382 HA LYS 46 HA LYS 46 0.410 -0.645 -0.152 383 HB2 LYS 46 2HB LYS 46 0.954 0.016 -2.384 384 HB3 LYS 46 1HB LYS 46 0.653 1.477 -1.458 385 HG2 LYS 46 2HG LYS 46 2.583 2.259 -2.186 386 HG3 LYS 46 1HG LYS 46 3.397 1.015 -1.238 387 HD2 LYS 46 2HD LYS 46 2.356 0.009 -3.765 388 HD3 LYS 46 1HD LYS 46 3.517 1.319 -3.978 389 HE2 LYS 46 2HE LYS 46 3.985 -1.153 -2.318 390 HE3 LYS 46 1HE LYS 46 4.565 -0.922 -3.966 391 HZ1 LYS 46 3HZ LYS 46 6.312 -0.401 -2.439 392 HZ2 LYS 46 1HZ LYS 46 5.325 0.670 -1.577 393 HZ3 LYS 46 2HZ LYS 46 5.799 1.041 -3.158 394 H ASP 47 H ASP 47 3.806 0.005 0.390 395 HA ASP 47 HA ASP 47 4.857 -2.251 -0.941 396 HB2 ASP 47 2HB ASP 47 6.076 -0.180 0.099 397 HB3 ASP 47 1HB ASP 47 6.098 -1.154 1.566 398 H GLU 48 H GLU 48 3.493 -1.718 2.237 399 HA GLU 48 HA GLU 48 4.188 -4.224 3.365 400 HB2 GLU 48 2HB GLU 48 3.256 -2.029 4.474 401 HB3 GLU 48 1HB GLU 48 1.693 -2.767 4.153 402 HG2 GLU 48 2HG GLU 48 2.120 -3.470 6.294 403 HG3 GLU 48 1HG GLU 48 2.709 -4.832 5.344 404 H ILE 49 H ILE 49 1.660 -3.136 1.244 405 HA ILE 49 HA ILE 49 -0.034 -5.429 1.568 406 HB ILE 49 HB ILE 49 0.016 -3.477 -0.736 407 HG12 ILE 49 2HG1 ILE 49 -0.232 -2.237 1.340 408 HG13 ILE 49 1HG1 ILE 49 -1.777 -2.284 0.497 409 HG21 ILE 49 1HG2 ILE 49 -2.354 -4.996 0.285 410 HG22 ILE 49 2HG2 ILE 49 -1.241 -5.713 -0.878 411 HG23 ILE 49 3HG2 ILE 49 -2.115 -4.238 -1.288 412 HD11 ILE 49 3HD1 ILE 49 -2.147 -2.628 2.833 413 HD12 ILE 49 1HD1 ILE 49 -0.961 -3.933 2.875 414 HD13 ILE 49 2HD1 ILE 49 -2.469 -4.139 1.983 415 H LYS 50 H LYS 50 2.514 -4.421 -0.645 416 HA LYS 50 HA LYS 50 2.215 -6.442 -2.571 417 HB2 LYS 50 2HB LYS 50 3.758 -4.278 -2.450 418 HB3 LYS 50 1HB LYS 50 4.944 -5.450 -1.892 419 HG2 LYS 50 2HG LYS 50 3.387 -5.779 -4.442 420 HG3 LYS 50 1HG LYS 50 4.953 -4.969 -4.355 421 HD2 LYS 50 2HD LYS 50 5.458 -7.291 -3.019 422 HD3 LYS 50 1HD LYS 50 4.293 -7.825 -4.231 423 HE2 LYS 50 2HE LYS 50 6.298 -6.054 -5.351 424 HE3 LYS 50 1HE LYS 50 7.018 -7.474 -4.594 425 HZ1 LYS 50 3HZ LYS 50 5.357 -7.280 -6.967 426 HZ2 LYS 50 1HZ LYS 50 5.035 -8.599 -5.957 427 HZ3 LYS 50 2HZ LYS 50 6.587 -8.379 -6.593 428 H THR 51 H THR 51 3.758 -6.398 0.566 429 HA THR 51 HA THR 51 4.810 -9.101 0.147 430 HB THR 51 HB THR 51 5.191 -7.579 2.692 431 HG1 THR 51 1HG THR 51 6.958 -6.508 1.731 432 HG21 THR 51 3HG2 THR 51 7.507 -8.785 1.455 433 HG22 THR 51 1HG2 THR 51 6.211 -9.947 1.728 434 HG23 THR 51 2HG2 THR 51 6.838 -8.998 3.073 435 H PHE 52 H PHE 52 2.775 -7.272 2.405 436 HA PHE 52 HA PHE 52 1.189 -7.907 3.898 437 HB2 PHE 52 2HB PHE 52 0.604 -9.102 1.426 438 HB3 PHE 52 1HB PHE 52 0.306 -10.342 2.635 439 HD1 PHE 52 2HD PHE 52 -1.394 -10.011 4.360 440 HD2 PHE 52 1HD PHE 52 -0.756 -7.140 1.292 441 HE1 PHE 52 2HE PHE 52 -3.556 -8.964 4.895 442 HE2 PHE 52 1HE PHE 52 -2.911 -6.078 1.820 443 HZ PHE 52 HZ PHE 52 -4.314 -6.994 3.619 444 H THR 53 H THR 53 3.928 -9.153 4.080 445 HA THR 53 HA THR 53 3.550 -11.778 5.136 446 HB THR 53 HB THR 53 5.854 -9.830 5.169 447 HG1 THR 53 1HG THR 53 6.690 -11.182 3.665 448 HG21 THR 53 3HG2 THR 53 7.289 -11.310 6.216 449 HG22 THR 53 1HG2 THR 53 6.193 -12.672 6.030 450 HG23 THR 53 2HG2 THR 53 5.842 -11.403 7.204 451 H VAL 54 H VAL 54 5.129 -9.183 6.951 452 HA VAL 54 HA VAL 54 3.155 -9.444 9.094 453 HB VAL 54 HB VAL 54 6.129 -9.695 9.588 454 HG11 VAL 54 1HG1 VAL 54 5.269 -8.652 11.477 455 HG12 VAL 54 2HG1 VAL 54 5.203 -10.360 11.905 456 HG13 VAL 54 3HG1 VAL 54 3.741 -9.528 11.388 457 HG21 VAL 54 3HG2 VAL 54 4.112 -11.680 8.969 458 HG22 VAL 54 1HG2 VAL 54 4.837 -11.963 10.551 459 HG23 VAL 54 2HG2 VAL 54 5.865 -11.853 9.115 460 H THR 55 H THR 55 6.364 -7.934 8.704 461 HA THR 55 HA THR 55 5.140 -5.292 8.799 462 HB THR 55 HB THR 55 7.378 -5.991 10.686 463 HG1 THR 55 1HG THR 55 5.967 -6.611 12.118 464 HG21 THR 55 3HG2 THR 55 6.120 -3.946 11.840 465 HG22 THR 55 1HG2 THR 55 5.791 -3.571 10.149 466 HG23 THR 55 2HG2 THR 55 7.454 -3.746 10.705 467 H GLU 56 H GLU 56 6.781 -3.559 8.409 468 HA GLU 56 HA GLU 56 8.583 -4.450 6.303 469 HB2 GLU 56 2HB GLU 56 8.785 -2.088 5.738 470 HB3 GLU 56 1HB GLU 56 7.090 -2.541 5.886 471 HG2 GLU 56 2HG GLU 56 8.414 -1.450 8.296 472 HG3 GLU 56 1HG GLU 56 8.090 -0.333 6.968 Start of MODEL 3 1 H1 THR 1 1HT THR 1 2.580 31.354 -22.846 2 H2 THR 1 2HT THR 1 3.290 31.820 -21.356 3 H3 THR 1 3HT THR 1 1.623 31.420 -21.426 4 HA THR 1 HA THR 1 2.025 29.204 -21.729 5 HB THR 1 HB THR 1 3.733 29.535 -23.478 6 HG1 THR 1 1HG THR 1 4.683 27.849 -21.408 7 HG21 THR 1 3HG2 THR 1 6.002 29.535 -21.644 8 HG22 THR 1 1HG2 THR 1 5.104 31.052 -21.685 9 HG23 THR 1 2HG2 THR 1 5.771 30.381 -23.174 10 H THR 2 H THR 2 1.661 28.540 -19.713 11 HA THR 2 HA THR 2 3.808 28.820 -17.738 12 HB THR 2 HB THR 2 0.906 29.380 -17.104 13 HG1 THR 2 1HG THR 2 1.383 31.488 -17.193 14 HG21 THR 2 3HG2 THR 2 1.458 29.382 -14.968 15 HG22 THR 2 1HG2 THR 2 2.790 30.498 -15.270 16 HG23 THR 2 2HG2 THR 2 3.048 28.759 -15.412 17 H TYR 3 H TYR 3 4.285 26.913 -16.885 18 HA TYR 3 HA TYR 3 2.234 24.800 -16.940 19 HB2 TYR 3 2HB TYR 3 4.712 24.748 -18.093 20 HB3 TYR 3 1HB TYR 3 5.036 23.984 -16.540 21 HD1 TYR 3 2HD TYR 3 2.817 22.341 -15.942 22 HD2 TYR 3 1HD TYR 3 4.487 23.182 -19.763 23 HE1 TYR 3 2HE TYR 3 1.916 20.219 -16.796 24 HE2 TYR 3 1HE TYR 3 3.590 21.062 -20.628 25 HH TYR 3 HH TYR 3 1.243 19.397 -19.344 26 H LYS 4 H LYS 4 1.692 23.755 -15.100 27 HA LYS 4 HA LYS 4 2.924 24.729 -12.619 28 HB2 LYS 4 2HB LYS 4 0.868 23.880 -11.518 29 HB3 LYS 4 1HB LYS 4 0.541 25.109 -12.732 30 HG2 LYS 4 2HG LYS 4 -0.483 23.639 -14.149 31 HG3 LYS 4 1HG LYS 4 0.429 22.253 -13.549 32 HD2 LYS 4 2HD LYS 4 -1.380 23.566 -11.616 33 HD3 LYS 4 1HD LYS 4 -2.153 22.704 -12.948 34 HE2 LYS 4 2HE LYS 4 -0.230 20.932 -12.161 35 HE3 LYS 4 1HE LYS 4 -0.685 21.676 -10.630 36 HZ1 LYS 4 3HZ LYS 4 -2.625 20.512 -12.550 37 HZ2 LYS 4 1HZ LYS 4 -2.950 21.067 -10.985 38 HZ3 LYS 4 2HZ LYS 4 -2.004 19.684 -11.214 39 H LEU 5 H LEU 5 3.774 23.353 -11.110 40 HA LEU 5 HA LEU 5 4.872 20.927 -11.953 41 HB2 LEU 5 2HB LEU 5 4.384 21.988 -9.172 42 HB3 LEU 5 1HB LEU 5 5.332 20.558 -9.516 43 HG LEU 5 HG LEU 5 6.228 23.210 -9.348 44 HD11 LEU 5 1HD1 LEU 5 7.505 20.646 -10.239 45 HD12 LEU 5 2HD1 LEU 5 7.572 21.408 -8.650 46 HD13 LEU 5 3HD1 LEU 5 8.412 22.141 -10.017 47 HD21 LEU 5 3HD2 LEU 5 5.628 23.718 -11.598 48 HD22 LEU 5 1HD2 LEU 5 6.305 22.200 -12.184 49 HD23 LEU 5 2HD2 LEU 5 7.370 23.458 -11.561 50 H ILE 6 H ILE 6 3.516 19.369 -12.680 51 HA ILE 6 HA ILE 6 1.033 18.736 -11.461 52 HB ILE 6 HB ILE 6 1.467 18.306 -13.834 53 HG12 ILE 6 2HG1 ILE 6 0.490 16.048 -13.942 54 HG13 ILE 6 1HG1 ILE 6 0.904 15.791 -12.251 55 HG21 ILE 6 1HG2 ILE 6 2.846 15.875 -13.837 56 HG22 ILE 6 2HG2 ILE 6 3.776 16.947 -12.788 57 HG23 ILE 6 3HG2 ILE 6 3.412 17.431 -14.445 58 HD11 ILE 6 3HD1 ILE 6 -0.591 18.197 -12.459 59 HD12 ILE 6 1HD1 ILE 6 -1.011 16.697 -11.633 60 HD13 ILE 6 2HD1 ILE 6 -1.441 16.919 -13.329 61 H LEU 7 H LEU 7 2.014 18.583 -9.241 62 HA LEU 7 HA LEU 7 3.006 15.854 -8.732 63 HB2 LEU 7 2HB LEU 7 4.123 16.668 -6.778 64 HB3 LEU 7 1HB LEU 7 4.584 17.674 -8.136 65 HG LEU 7 HG LEU 7 2.313 18.848 -6.837 66 HD11 LEU 7 1HD1 LEU 7 3.876 19.400 -4.751 67 HD12 LEU 7 2HD1 LEU 7 4.404 17.749 -5.057 68 HD13 LEU 7 3HD1 LEU 7 2.702 18.088 -4.740 69 HD21 LEU 7 3HD2 LEU 7 5.054 19.561 -7.656 70 HD22 LEU 7 1HD2 LEU 7 4.357 20.532 -6.362 71 HD23 LEU 7 2HD2 LEU 7 3.532 20.412 -7.914 72 H ASN 8 H ASN 8 1.982 14.599 -7.224 73 HA ASN 8 HA ASN 8 0.083 15.621 -5.364 74 HB2 ASN 8 2HB ASN 8 -0.872 15.049 -8.006 75 HB3 ASN 8 1HB ASN 8 -1.568 13.879 -6.880 76 HD21 ASN 8 1HD2 ASN 8 -3.042 14.544 -5.387 77 HD22 ASN 8 2HD2 ASN 8 -3.707 16.137 -5.347 78 H LEU 9 H LEU 9 -1.023 13.896 -4.173 79 HA LEU 9 HA LEU 9 0.788 11.757 -3.602 80 HB2 LEU 9 2HB LEU 9 -1.054 11.097 -1.971 81 HB3 LEU 9 1HB LEU 9 -0.252 12.635 -1.716 82 HG LEU 9 HG LEU 9 -2.697 12.766 -3.355 83 HD11 LEU 9 1HD1 LEU 9 -3.847 12.823 -0.919 84 HD12 LEU 9 2HD1 LEU 9 -2.660 11.539 -0.687 85 HD13 LEU 9 3HD1 LEU 9 -3.851 11.416 -1.982 86 HD21 LEU 9 3HD2 LEU 9 -2.312 14.373 -0.911 87 HD22 LEU 9 1HD2 LEU 9 -2.804 14.866 -2.531 88 HD23 LEU 9 2HD2 LEU 9 -1.100 14.581 -2.176 89 H LYS 10 H LYS 10 -2.197 12.103 -5.357 90 HA LYS 10 HA LYS 10 -3.384 9.738 -5.521 91 HB2 LYS 10 2HB LYS 10 -2.578 11.300 -7.974 92 HB3 LYS 10 1HB LYS 10 -3.920 10.171 -7.853 93 HG2 LYS 10 2HG LYS 10 -3.649 12.822 -6.456 94 HG3 LYS 10 1HG LYS 10 -4.770 12.405 -7.753 95 HD2 LYS 10 2HD LYS 10 -5.960 10.893 -6.329 96 HD3 LYS 10 1HD LYS 10 -4.750 11.060 -5.055 97 HE2 LYS 10 2HE LYS 10 -5.711 13.652 -5.748 98 HE3 LYS 10 1HE LYS 10 -7.094 12.594 -5.471 99 HZ1 LYS 10 3HZ LYS 10 -5.620 11.934 -3.392 100 HZ2 LYS 10 1HZ LYS 10 -6.703 13.233 -3.352 101 HZ3 LYS 10 2HZ LYS 10 -5.053 13.514 -3.601 102 H GLN 11 H GLN 11 -0.362 10.436 -7.304 103 HA GLN 11 HA GLN 11 -0.052 8.106 -8.704 104 HB2 GLN 11 2HB GLN 11 2.426 8.408 -8.386 105 HB3 GLN 11 1HB GLN 11 1.573 9.830 -8.967 106 HG2 GLN 11 2HG GLN 11 2.002 11.019 -7.106 107 HG3 GLN 11 1HG GLN 11 1.877 9.614 -6.045 108 HE21 GLN 11 1HE2 GLN 11 3.736 9.963 -4.919 109 HE22 GLN 11 2HE2 GLN 11 5.312 9.855 -5.617 110 H ALA 12 H ALA 12 0.391 8.616 -5.277 111 HA ALA 12 HA ALA 12 1.440 5.961 -4.812 112 HB1 ALA 12 1HB ALA 12 1.894 6.650 -2.688 113 HB2 ALA 12 2HB ALA 12 0.439 7.639 -2.577 114 HB3 ALA 12 3HB ALA 12 1.835 8.223 -3.484 115 H LYS 13 H LYS 13 -1.621 7.652 -4.620 116 HA LYS 13 HA LYS 13 -3.044 5.780 -3.090 117 HB2 LYS 13 2HB LYS 13 -4.437 7.532 -3.253 118 HB3 LYS 13 1HB LYS 13 -3.639 8.129 -4.700 119 HG2 LYS 13 2HG LYS 13 -5.592 5.853 -4.808 120 HG3 LYS 13 1HG LYS 13 -6.119 7.537 -4.849 121 HD2 LYS 13 2HD LYS 13 -3.954 7.136 -6.689 122 HD3 LYS 13 1HD LYS 13 -5.232 5.960 -6.999 123 HE2 LYS 13 2HE LYS 13 -6.262 8.636 -6.510 124 HE3 LYS 13 1HE LYS 13 -5.162 8.574 -7.886 125 HZ1 LYS 13 3HZ LYS 13 -7.160 8.070 -8.858 126 HZ2 LYS 13 1HZ LYS 13 -7.745 7.224 -7.514 127 HZ3 LYS 13 2HZ LYS 13 -6.585 6.516 -8.520 128 H GLU 14 H GLU 14 -2.275 5.994 -6.501 129 HA GLU 14 HA GLU 14 -3.891 3.738 -7.252 130 HB2 GLU 14 2HB GLU 14 -3.422 5.499 -8.880 131 HB3 GLU 14 1HB GLU 14 -1.696 5.198 -8.740 132 HG2 GLU 14 2HG GLU 14 -2.294 4.129 -10.708 133 HG3 GLU 14 1HG GLU 14 -2.235 2.825 -9.523 134 H GLU 15 H GLU 15 -0.600 4.345 -6.271 135 HA GLU 15 HA GLU 15 0.707 2.047 -7.086 136 HB2 GLU 15 2HB GLU 15 1.026 4.030 -4.934 137 HB3 GLU 15 1HB GLU 15 1.762 2.471 -4.596 138 HG2 GLU 15 2HG GLU 15 2.291 4.222 -6.985 139 HG3 GLU 15 1HG GLU 15 3.354 3.972 -5.596 140 H ALA 16 H ALA 16 -1.152 2.597 -4.110 141 HA ALA 16 HA ALA 16 -0.891 -0.093 -3.189 142 HB1 ALA 16 1HB ALA 16 -2.850 2.027 -2.321 143 HB2 ALA 16 2HB ALA 16 -1.226 1.813 -1.668 144 HB3 ALA 16 3HB ALA 16 -2.440 0.553 -1.444 145 H ILE 17 H ILE 17 -3.422 1.742 -4.855 146 HA ILE 17 HA ILE 17 -5.467 -0.140 -4.764 147 HB ILE 17 HB ILE 17 -4.776 2.039 -6.710 148 HG12 ILE 17 2HG1 ILE 17 -7.116 1.563 -4.858 149 HG13 ILE 17 1HG1 ILE 17 -5.755 2.638 -4.555 150 HG21 ILE 17 1HG2 ILE 17 -5.741 0.344 -8.143 151 HG22 ILE 17 2HG2 ILE 17 -6.894 1.657 -7.910 152 HG23 ILE 17 3HG2 ILE 17 -7.102 0.140 -7.039 153 HD11 ILE 17 3HD1 ILE 17 -6.867 4.280 -5.523 154 HD12 ILE 17 1HD1 ILE 17 -8.197 3.183 -5.896 155 HD13 ILE 17 2HD1 ILE 17 -6.869 3.378 -7.039 156 H LYS 18 H LYS 18 -2.921 0.274 -7.221 157 HA LYS 18 HA LYS 18 -3.712 -1.851 -8.876 158 HB2 LYS 18 2HB LYS 18 -1.531 -0.004 -8.719 159 HB3 LYS 18 1HB LYS 18 -0.883 -1.616 -8.987 160 HG2 LYS 18 2HG LYS 18 -1.253 -0.500 -11.095 161 HG3 LYS 18 1HG LYS 18 -2.351 -1.872 -10.934 162 HD2 LYS 18 2HD LYS 18 -3.850 0.126 -9.871 163 HD3 LYS 18 1HD LYS 18 -2.926 1.007 -11.089 164 HE2 LYS 18 2HE LYS 18 -4.777 -1.330 -11.474 165 HE3 LYS 18 1HE LYS 18 -4.893 0.286 -12.172 166 HZ1 LYS 18 3HZ LYS 18 -3.997 -0.765 -13.936 167 HZ2 LYS 18 1HZ LYS 18 -3.280 -1.986 -13.007 168 HZ3 LYS 18 2HZ LYS 18 -2.542 -0.469 -13.126 169 H GLU 19 H GLU 19 -1.421 -1.735 -6.170 170 HA GLU 19 HA GLU 19 -0.653 -4.463 -6.367 171 HB2 GLU 19 2HB GLU 19 -0.490 -2.675 -3.939 172 HB3 GLU 19 1HB GLU 19 0.481 -4.105 -4.274 173 HG2 GLU 19 2HG GLU 19 0.574 -1.909 -6.255 174 HG3 GLU 19 1HG GLU 19 1.354 -1.631 -4.698 175 H LEU 20 H LEU 20 -3.158 -2.746 -4.601 176 HA LEU 20 HA LEU 20 -3.833 -4.853 -2.856 177 HB2 LEU 20 2HB LEU 20 -4.890 -2.234 -3.536 178 HB3 LEU 20 1HB LEU 20 -6.162 -3.390 -3.205 179 HG LEU 20 HG LEU 20 -5.048 -3.881 -1.004 180 HD11 LEU 20 1HD1 LEU 20 -3.246 -2.719 -0.234 181 HD12 LEU 20 2HD1 LEU 20 -3.550 -1.333 -1.283 182 HD13 LEU 20 3HD1 LEU 20 -2.843 -2.807 -1.950 183 HD21 LEU 20 3HD2 LEU 20 -6.967 -2.387 -1.186 184 HD22 LEU 20 1HD2 LEU 20 -5.886 -1.033 -1.499 185 HD23 LEU 20 2HD2 LEU 20 -5.849 -1.842 0.062 186 H VAL 21 H VAL 21 -5.096 -3.876 -6.003 187 HA VAL 21 HA VAL 21 -7.165 -5.815 -6.091 188 HB VAL 21 HB VAL 21 -5.825 -4.574 -8.490 189 HG11 VAL 21 1HG1 VAL 21 -7.317 -5.968 -9.443 190 HG12 VAL 21 2HG1 VAL 21 -8.457 -4.681 -9.049 191 HG13 VAL 21 3HG1 VAL 21 -8.305 -6.080 -7.987 192 HG21 VAL 21 3HG2 VAL 21 -6.990 -3.169 -6.370 193 HG22 VAL 21 1HG2 VAL 21 -8.212 -3.199 -7.640 194 HG23 VAL 21 2HG2 VAL 21 -6.606 -2.554 -7.977 195 H ASP 22 H ASP 22 -3.786 -5.842 -6.948 196 HA ASP 22 HA ASP 22 -3.865 -8.215 -8.522 197 HB2 ASP 22 2HB ASP 22 -2.057 -6.259 -8.276 198 HB3 ASP 22 1HB ASP 22 -1.342 -7.426 -7.168 199 H ALA 23 H ALA 23 -3.670 -7.626 -5.096 200 HA ALA 23 HA ALA 23 -3.344 -10.535 -4.705 201 HB1 ALA 23 1HB ALA 23 -2.214 -8.718 -2.633 202 HB2 ALA 23 2HB ALA 23 -1.299 -8.970 -4.122 203 HB3 ALA 23 3HB ALA 23 -1.724 -10.344 -3.106 204 H GLY 24 H GLY 24 -4.387 -11.454 -2.910 205 HA2 GLY 24 2HA GLY 24 -6.885 -10.266 -2.249 206 HA3 GLY 24 1HA GLY 24 -6.226 -11.749 -1.554 207 H THR 25 H THR 25 -5.685 -8.238 -1.450 208 HA THR 25 HA THR 25 -4.978 -8.445 1.387 209 HB THR 25 HB THR 25 -3.293 -7.324 0.221 210 HG1 THR 25 1HG THR 25 -3.594 -5.081 0.884 211 HG21 THR 25 3HG2 THR 25 -4.158 -6.876 -1.882 212 HG22 THR 25 1HG2 THR 25 -3.821 -5.297 -1.178 213 HG23 THR 25 2HG2 THR 25 -5.476 -5.900 -1.230 214 H ALA 26 H ALA 26 -5.545 -5.794 2.117 215 HA ALA 26 HA ALA 26 -8.476 -5.882 2.209 216 HB1 ALA 26 1HB ALA 26 -7.037 -4.009 3.972 217 HB2 ALA 26 2HB ALA 26 -6.735 -5.722 4.257 218 HB3 ALA 26 3HB ALA 26 -8.384 -5.100 4.325 219 H GLU 27 H GLU 27 -9.726 -4.187 1.587 220 HA GLU 27 HA GLU 27 -8.671 -2.370 -0.321 221 HB2 GLU 27 2HB GLU 27 -11.378 -2.272 1.008 222 HB3 GLU 27 1HB GLU 27 -10.933 -1.561 -0.535 223 HG2 GLU 27 2HG GLU 27 -10.701 -4.507 -0.106 224 HG3 GLU 27 1HG GLU 27 -12.257 -3.774 -0.489 225 H LYS 28 H LYS 28 -9.559 -2.105 3.052 226 HA LYS 28 HA LYS 28 -9.770 0.598 3.425 227 HB2 LYS 28 2HB LYS 28 -8.209 -1.097 5.355 228 HB3 LYS 28 1HB LYS 28 -9.254 0.272 5.701 229 HG2 LYS 28 2HG LYS 28 -10.069 -2.496 4.869 230 HG3 LYS 28 1HG LYS 28 -10.398 -1.674 6.394 231 HD2 LYS 28 2HD LYS 28 -11.568 0.072 4.794 232 HD3 LYS 28 1HD LYS 28 -11.682 -1.333 3.731 233 HE2 LYS 28 2HE LYS 28 -12.528 -2.428 6.036 234 HE3 LYS 28 1HE LYS 28 -13.043 -0.760 6.290 235 HZ1 LYS 28 3HZ LYS 28 -13.912 -1.141 3.826 236 HZ2 LYS 28 1HZ LYS 28 -14.846 -1.500 5.183 237 HZ3 LYS 28 2HZ LYS 28 -14.009 -2.730 4.378 238 H TYR 29 H TYR 29 -6.869 -1.221 2.754 239 HA TYR 29 HA TYR 29 -4.988 0.671 3.631 240 HB2 TYR 29 2HB TYR 29 -4.623 -1.279 1.337 241 HB3 TYR 29 1HB TYR 29 -3.352 -0.456 2.238 242 HD1 TYR 29 1HD TYR 29 -4.201 -0.722 5.002 243 HD2 TYR 29 2HD TYR 29 -4.405 -3.553 1.832 244 HE1 TYR 29 1HE TYR 29 -4.129 -2.549 6.640 245 HE2 TYR 29 2HE TYR 29 -4.333 -5.384 3.462 246 HH TYR 29 HH TYR 29 -3.315 -5.507 6.051 247 H PHE 30 H PHE 30 -6.244 0.200 0.287 248 HA PHE 30 HA PHE 30 -4.865 2.424 -0.737 249 HB2 PHE 30 2HB PHE 30 -6.236 2.284 -2.692 250 HB3 PHE 30 1HB PHE 30 -5.889 0.648 -2.161 251 HD1 PHE 30 2HD PHE 30 -8.524 3.249 -1.540 252 HD2 PHE 30 1HD PHE 30 -7.612 -0.825 -2.362 253 HE1 PHE 30 2HE PHE 30 -10.923 2.726 -1.594 254 HE2 PHE 30 1HE PHE 30 -10.010 -1.353 -2.423 255 HZ PHE 30 HZ PHE 30 -11.670 0.423 -2.038 256 H LYS 31 H LYS 31 -7.731 2.199 1.167 257 HA LYS 31 HA LYS 31 -8.592 4.895 0.514 258 HB2 LYS 31 2HB LYS 31 -9.769 2.588 1.783 259 HB3 LYS 31 1HB LYS 31 -9.951 4.002 2.814 260 HG2 LYS 31 2HG LYS 31 -11.418 4.990 1.430 261 HG3 LYS 31 1HG LYS 31 -10.590 4.428 -0.023 262 HD2 LYS 31 2HD LYS 31 -11.527 2.172 0.357 263 HD3 LYS 31 1HD LYS 31 -12.414 2.802 1.747 264 HE2 LYS 31 2HE LYS 31 -13.941 3.864 0.459 265 HE3 LYS 31 1HE LYS 31 -12.758 4.281 -0.780 266 HZ1 LYS 31 3HZ LYS 31 -13.851 2.723 -1.944 267 HZ2 LYS 31 1HZ LYS 31 -14.479 1.959 -0.572 268 HZ3 LYS 31 2HZ LYS 31 -12.897 1.634 -1.072 269 H LEU 32 H LEU 32 -6.806 3.204 2.971 270 HA LEU 32 HA LEU 32 -6.791 5.384 4.845 271 HB2 LEU 32 2HB LEU 32 -5.808 2.635 4.722 272 HB3 LEU 32 1HB LEU 32 -4.695 3.727 5.538 273 HG LEU 32 HG LEU 32 -7.599 3.339 6.278 274 HD11 LEU 32 1HD1 LEU 32 -6.387 1.354 6.811 275 HD12 LEU 32 2HD1 LEU 32 -6.633 2.263 8.304 276 HD13 LEU 32 3HD1 LEU 32 -5.062 2.282 7.508 277 HD21 LEU 32 3HD2 LEU 32 -6.467 4.486 8.417 278 HD22 LEU 32 1HD2 LEU 32 -7.240 5.405 7.125 279 HD23 LEU 32 2HD2 LEU 32 -5.487 5.214 7.143 280 H ILE 33 H ILE 33 -4.804 4.282 2.207 281 HA ILE 33 HA ILE 33 -2.609 6.030 2.925 282 HB ILE 33 HB ILE 33 -1.600 5.233 0.773 283 HG12 ILE 33 2HG1 ILE 33 -3.090 2.871 0.392 284 HG13 ILE 33 1HG1 ILE 33 -4.263 4.180 0.428 285 HG21 ILE 33 1HG2 ILE 33 -2.293 3.523 3.092 286 HG22 ILE 33 2HG2 ILE 33 -0.722 4.092 2.534 287 HG23 ILE 33 3HG2 ILE 33 -1.519 2.755 1.707 288 HD11 ILE 33 3HD1 ILE 33 -2.012 3.722 -1.470 289 HD12 ILE 33 1HD1 ILE 33 -2.684 5.334 -1.243 290 HD13 ILE 33 2HD1 ILE 33 -3.717 4.020 -1.806 291 H ALA 34 H ALA 34 -5.125 5.855 0.440 292 HA ALA 34 HA ALA 34 -4.320 7.941 -1.193 293 HB1 ALA 34 1HB ALA 34 -7.166 7.233 -0.499 294 HB2 ALA 34 2HB ALA 34 -6.175 6.383 -1.684 295 HB3 ALA 34 3HB ALA 34 -6.605 8.074 -1.944 296 H ASN 35 H ASN 35 -5.630 8.054 2.008 297 HA ASN 35 HA ASN 35 -6.355 10.854 1.813 298 HB2 ASN 35 2HB ASN 35 -7.065 10.646 4.136 299 HB3 ASN 35 1HB ASN 35 -7.723 9.318 3.174 300 HD21 ASN 35 1HD2 ASN 35 -5.053 10.167 5.335 301 HD22 ASN 35 2HD2 ASN 35 -4.875 8.590 6.016 302 H ALA 36 H ALA 36 -3.577 9.014 2.606 303 HA ALA 36 HA ALA 36 -2.324 10.667 4.492 304 HB1 ALA 36 1HB ALA 36 -1.389 8.537 4.144 305 HB2 ALA 36 2HB ALA 36 -0.191 9.681 3.539 306 HB3 ALA 36 3HB ALA 36 -1.222 8.805 2.409 307 H LYS 37 H LYS 37 -1.640 12.689 4.338 308 HA LYS 37 HA LYS 37 -1.706 14.170 1.936 309 HB2 LYS 37 2HB LYS 37 -0.415 15.891 3.323 310 HB3 LYS 37 1HB LYS 37 -2.013 15.423 3.903 311 HG2 LYS 37 2HG LYS 37 -1.195 14.635 5.812 312 HG3 LYS 37 1HG LYS 37 0.088 13.746 4.997 313 HD2 LYS 37 2HD LYS 37 1.453 15.213 5.997 314 HD3 LYS 37 1HD LYS 37 0.954 16.305 4.704 315 HE2 LYS 37 2HE LYS 37 -0.386 16.094 7.398 316 HE3 LYS 37 1HE LYS 37 0.798 17.322 6.953 317 HZ1 LYS 37 3HZ LYS 37 -0.677 18.402 5.631 318 HZ2 LYS 37 1HZ LYS 37 -1.776 17.736 6.731 319 HZ3 LYS 37 2HZ LYS 37 -1.538 17.005 5.228 320 H THR 38 H THR 38 0.801 12.362 3.539 321 HA THR 38 HA THR 38 2.823 13.385 1.686 322 HB THR 38 HB THR 38 4.363 11.933 3.132 323 HG1 THR 38 1HG THR 38 2.484 10.788 4.054 324 HG21 THR 38 3HG2 THR 38 4.883 13.844 4.085 325 HG22 THR 38 1HG2 THR 38 3.490 13.703 5.159 326 HG23 THR 38 2HG2 THR 38 3.326 14.517 3.602 327 H VAL 39 H VAL 39 3.817 12.131 0.176 328 HA VAL 39 HA VAL 39 2.413 9.845 -0.770 329 HB VAL 39 HB VAL 39 4.175 9.692 -2.475 330 HG11 VAL 39 1HG1 VAL 39 3.379 11.454 -3.655 331 HG12 VAL 39 2HG1 VAL 39 3.692 12.606 -2.356 332 HG13 VAL 39 3HG1 VAL 39 2.270 11.564 -2.288 333 HG21 VAL 39 3HG2 VAL 39 6.207 10.226 -1.574 334 HG22 VAL 39 1HG2 VAL 39 5.557 11.559 -0.618 335 HG23 VAL 39 2HG2 VAL 39 5.818 11.761 -2.352 336 H GLU 40 H GLU 40 5.478 10.311 0.934 337 HA GLU 40 HA GLU 40 6.518 7.748 0.764 338 HB2 GLU 40 2HB GLU 40 6.675 9.686 3.078 339 HB3 GLU 40 1HB GLU 40 7.701 8.272 2.882 340 HG2 GLU 40 2HG GLU 40 9.119 9.487 1.708 341 HG3 GLU 40 1HG GLU 40 7.874 9.736 0.484 342 H GLY 41 H GLY 41 3.820 8.902 2.600 343 HA2 GLY 41 2HA GLY 41 3.752 6.713 4.462 344 HA3 GLY 41 1HA GLY 41 2.480 7.901 4.197 345 H VAL 42 H VAL 42 2.202 7.496 1.414 346 HA VAL 42 HA VAL 42 0.430 5.254 1.441 347 HB VAL 42 HB VAL 42 1.298 7.075 -0.803 348 HG11 VAL 42 1HG1 VAL 42 0.541 5.311 -2.030 349 HG12 VAL 42 2HG1 VAL 42 -0.996 6.118 -1.716 350 HG13 VAL 42 3HG1 VAL 42 -0.513 4.726 -0.745 351 HG21 VAL 42 3HG2 VAL 42 -0.802 7.189 1.263 352 HG22 VAL 42 1HG2 VAL 42 -1.291 7.646 -0.368 353 HG23 VAL 42 2HG2 VAL 42 0.038 8.492 0.422 354 H TRP 43 H TRP 43 3.466 6.012 -0.251 355 HA TRP 43 HA TRP 43 3.606 3.598 -1.692 356 HB2 TRP 43 2HB TRP 43 5.674 5.637 -0.874 357 HB3 TRP 43 1HB TRP 43 6.145 4.185 -1.754 358 HD1 TRP 43 HD TRP 43 4.067 7.404 -2.198 359 HE1 TRP 43 1HE TRP 43 3.794 7.855 -4.710 360 HE3 TRP 43 3HE TRP 43 6.119 3.089 -4.031 361 HZ2 TRP 43 2HZ TRP 43 4.360 6.563 -7.147 362 HZ3 TRP 43 3HZ TRP 43 6.199 2.775 -6.472 363 HH2 TRP 43 HH TRP 43 5.340 4.478 -7.994 364 H THR 44 H THR 44 4.460 4.425 1.583 365 HA THR 44 HA THR 44 6.100 2.152 2.097 366 HB THR 44 HB THR 44 5.423 2.745 4.546 367 HG1 THR 44 1HG THR 44 4.291 4.515 4.828 368 HG21 THR 44 3HG2 THR 44 7.512 3.497 4.269 369 HG22 THR 44 1HG2 THR 44 6.723 5.071 4.165 370 HG23 THR 44 2HG2 THR 44 7.163 4.206 2.692 371 H LEU 45 H LEU 45 2.746 2.944 3.023 372 HA LEU 45 HA LEU 45 2.074 0.484 4.135 373 HB2 LEU 45 2HB LEU 45 0.743 2.876 3.487 374 HB3 LEU 45 1HB LEU 45 -0.160 1.602 2.689 375 HD11 LEU 45 1HD1 LEU 45 -0.836 3.242 5.851 376 HD12 LEU 45 2HD1 LEU 45 0.902 3.173 5.565 377 HD13 LEU 45 3HD1 LEU 45 0.174 2.165 6.815 378 HD21 LEU 45 3HD2 LEU 45 -2.238 1.712 5.376 379 HD22 LEU 45 1HD2 LEU 45 -1.858 0.172 4.605 380 HD23 LEU 45 2HD2 LEU 45 -1.961 1.641 3.636 381 H LYS 46 H LYS 46 2.175 1.542 0.802 382 HA LYS 46 HA LYS 46 0.799 -0.594 -0.393 383 HB2 LYS 46 2HB LYS 46 1.300 1.408 -1.651 384 HB3 LYS 46 1HB LYS 46 3.028 1.165 -1.434 385 HG2 LYS 46 2HG LYS 46 2.119 -1.173 -2.650 386 HG3 LYS 46 1HG LYS 46 1.267 0.139 -3.468 387 HD2 LYS 46 2HD LYS 46 3.228 1.115 -4.224 388 HD3 LYS 46 1HD LYS 46 4.210 0.345 -2.976 389 HE2 LYS 46 2HE LYS 46 3.614 -1.859 -4.130 390 HE3 LYS 46 1HE LYS 46 3.074 -0.861 -5.478 391 HZ1 LYS 46 3HZ LYS 46 5.528 -1.753 -5.313 392 HZ2 LYS 46 1HZ LYS 46 5.739 -0.347 -4.394 393 HZ3 LYS 46 2HZ LYS 46 5.181 -0.242 -5.988 394 H ASP 47 H ASP 47 4.223 -0.141 0.401 395 HA ASP 47 HA ASP 47 5.243 -2.482 -0.711 396 HB2 ASP 47 2HB ASP 47 6.235 -0.408 0.868 397 HB3 ASP 47 1HB ASP 47 6.487 -1.850 1.845 398 H GLU 48 H GLU 48 3.541 -1.917 2.300 399 HA GLU 48 HA GLU 48 4.034 -4.464 3.455 400 HB2 GLU 48 2HB GLU 48 2.234 -2.175 3.989 401 HB3 GLU 48 1HB GLU 48 1.688 -3.734 4.589 402 HG2 GLU 48 2HG GLU 48 3.975 -3.953 5.662 403 HG3 GLU 48 1HG GLU 48 4.194 -2.245 5.291 404 H ILE 49 H ILE 49 1.572 -3.176 1.315 405 HA ILE 49 HA ILE 49 -0.280 -5.282 1.366 406 HB ILE 49 HB ILE 49 0.415 -3.618 -1.055 407 HG12 ILE 49 2HG1 ILE 49 0.088 -2.080 0.764 408 HG13 ILE 49 1HG1 ILE 49 -1.365 -2.065 -0.222 409 HG21 ILE 49 1HG2 ILE 49 -1.255 -5.695 -0.941 410 HG22 ILE 49 2HG2 ILE 49 -1.542 -4.289 -1.966 411 HG23 ILE 49 3HG2 ILE 49 -2.347 -4.421 -0.404 412 HD11 ILE 49 3HD1 ILE 49 -0.948 -3.175 2.512 413 HD12 ILE 49 1HD1 ILE 49 -2.233 -3.808 1.486 414 HD13 ILE 49 2HD1 ILE 49 -2.210 -2.098 1.915 415 H LYS 50 H LYS 50 2.776 -4.907 -0.309 416 HA LYS 50 HA LYS 50 2.361 -7.293 -1.907 417 HB2 LYS 50 2HB LYS 50 3.567 -5.262 -2.765 418 HB3 LYS 50 1HB LYS 50 4.869 -5.632 -1.644 419 HG2 LYS 50 2HG LYS 50 4.617 -8.006 -2.909 420 HG3 LYS 50 1HG LYS 50 4.155 -6.893 -4.198 421 HD2 LYS 50 2HD LYS 50 6.499 -5.992 -2.734 422 HD3 LYS 50 1HD LYS 50 6.730 -7.578 -3.471 423 HE2 LYS 50 2HE LYS 50 7.238 -6.445 -5.330 424 HE3 LYS 50 1HE LYS 50 5.504 -6.180 -5.475 425 HZ1 LYS 50 3HZ LYS 50 5.675 -4.046 -4.651 426 HZ2 LYS 50 1HZ LYS 50 7.086 -4.173 -5.572 427 HZ3 LYS 50 2HZ LYS 50 7.149 -4.326 -3.889 428 H THR 51 H THR 51 3.852 -6.401 1.089 429 HA THR 51 HA THR 51 5.460 -8.811 1.211 430 HB THR 51 HB THR 51 5.046 -6.974 3.539 431 HG1 THR 51 1HG THR 51 6.703 -6.448 1.307 432 HG21 THR 51 3HG2 THR 51 6.503 -8.660 4.142 433 HG22 THR 51 1HG2 THR 51 7.584 -7.358 3.639 434 HG23 THR 51 2HG2 THR 51 7.266 -8.705 2.546 435 H PHE 52 H PHE 52 2.514 -7.523 2.646 436 HA PHE 52 HA PHE 52 2.203 -9.830 4.351 437 HB2 PHE 52 2HB PHE 52 0.779 -8.556 5.536 438 HB3 PHE 52 1HB PHE 52 1.386 -7.232 4.561 439 HD1 PHE 52 1HD PHE 52 -1.344 -9.682 4.888 440 HD2 PHE 52 2HD PHE 52 -0.015 -6.082 3.053 441 HE1 PHE 52 1HE PHE 52 -3.618 -9.272 4.070 442 HE2 PHE 52 2HE PHE 52 -2.293 -5.655 2.221 443 HZ PHE 52 HZ PHE 52 -4.102 -7.259 2.733 444 H THR 53 H THR 53 1.817 -9.429 1.187 445 HA THR 53 HA THR 53 -0.737 -10.705 0.812 446 HB THR 53 HB THR 53 1.439 -9.684 -0.945 447 HG1 THR 53 1HG THR 53 -1.371 -9.468 -0.815 448 HG21 THR 53 3HG2 THR 53 -0.620 -11.617 -1.988 449 HG22 THR 53 1HG2 THR 53 1.118 -11.904 -1.905 450 HG23 THR 53 2HG2 THR 53 0.477 -10.642 -2.956 451 H VAL 54 H VAL 54 -0.967 -12.768 -0.339 452 HA VAL 54 HA VAL 54 1.205 -14.654 0.299 453 HB VAL 54 HB VAL 54 -0.535 -16.368 0.749 454 HG11 VAL 54 1HG1 VAL 54 0.573 -15.064 2.556 455 HG12 VAL 54 2HG1 VAL 54 -1.037 -15.645 2.986 456 HG13 VAL 54 3HG1 VAL 54 -0.798 -13.953 2.534 457 HG21 VAL 54 3HG2 VAL 54 -2.491 -14.086 0.858 458 HG22 VAL 54 1HG2 VAL 54 -2.823 -15.812 1.013 459 HG23 VAL 54 2HG2 VAL 54 -2.321 -15.144 -0.545 460 H THR 55 H THR 55 1.434 -16.456 -1.086 461 HA THR 55 HA THR 55 0.683 -15.909 -3.814 462 HB THR 55 HB THR 55 2.045 -18.438 -2.960 463 HG1 THR 55 1HG THR 55 3.212 -17.004 -1.806 464 HG21 THR 55 3HG2 THR 55 3.387 -18.038 -4.959 465 HG22 THR 55 1HG2 THR 55 2.476 -16.565 -5.276 466 HG23 THR 55 2HG2 THR 55 1.671 -18.131 -5.332 467 H GLU 56 H GLU 56 -0.337 -17.486 -5.213 468 HA GLU 56 HA GLU 56 -2.102 -19.376 -3.807 469 HB2 GLU 56 2HB GLU 56 -3.933 -18.725 -5.381 470 HB3 GLU 56 1HB GLU 56 -3.484 -17.466 -4.239 471 HG2 GLU 56 2HG GLU 56 -1.870 -16.960 -6.410 472 HG3 GLU 56 1HG GLU 56 -3.389 -17.477 -7.139 Start of MODEL 4 1 H1 THR 1 1HT THR 1 10.385 17.385 -19.895 2 H2 THR 1 2HT THR 1 9.637 16.730 -21.294 3 H3 THR 1 3HT THR 1 10.924 15.888 -20.532 4 HA THR 1 HA THR 1 8.182 16.316 -19.583 5 HB THR 1 HB THR 1 9.678 13.731 -19.607 6 HG1 THR 1 1HG THR 1 8.558 14.953 -21.907 7 HG21 THR 1 3HG2 THR 1 7.678 12.830 -19.353 8 HG22 THR 1 1HG2 THR 1 7.041 13.707 -20.744 9 HG23 THR 1 2HG2 THR 1 7.034 14.459 -19.147 10 H THR 2 H THR 2 11.484 16.085 -18.627 11 HA THR 2 HA THR 2 10.783 15.335 -15.891 12 HB THR 2 HB THR 2 13.525 15.865 -17.044 13 HG1 THR 2 1HG THR 2 13.636 13.590 -17.234 14 HG21 THR 2 3HG2 THR 2 13.897 15.828 -14.789 15 HG22 THR 2 1HG2 THR 2 14.045 14.116 -15.182 16 HG23 THR 2 2HG2 THR 2 12.553 14.732 -14.473 17 H TYR 3 H TYR 3 9.830 17.836 -16.773 18 HA TYR 3 HA TYR 3 11.495 19.688 -15.196 19 HB2 TYR 3 2HB TYR 3 9.694 20.240 -17.558 20 HB3 TYR 3 1HB TYR 3 10.373 21.504 -16.540 21 HD1 TYR 3 1HD TYR 3 11.367 18.631 -18.692 22 HD2 TYR 3 2HD TYR 3 12.474 22.386 -17.028 23 HE1 TYR 3 1HE TYR 3 13.405 18.633 -20.068 24 HE2 TYR 3 2HE TYR 3 14.515 22.400 -18.400 25 HH TYR 3 HH TYR 3 15.012 20.230 -20.976 26 H LYS 4 H LYS 4 8.215 18.645 -15.960 27 HA LYS 4 HA LYS 4 7.011 20.363 -13.987 28 HB2 LYS 4 2HB LYS 4 4.928 19.173 -14.565 29 HB3 LYS 4 1HB LYS 4 5.760 19.782 -15.988 30 HG2 LYS 4 2HG LYS 4 6.788 17.266 -15.777 31 HG3 LYS 4 1HG LYS 4 5.136 17.038 -15.203 32 HD2 LYS 4 2HD LYS 4 5.285 18.707 -17.587 33 HD3 LYS 4 1HD LYS 4 5.949 17.092 -17.839 34 HE2 LYS 4 2HE LYS 4 3.403 17.189 -16.371 35 HE3 LYS 4 1HE LYS 4 3.322 17.722 -18.049 36 HZ1 LYS 4 3HZ LYS 4 2.944 15.280 -17.620 37 HZ2 LYS 4 1HZ LYS 4 4.595 15.167 -17.264 38 HZ3 LYS 4 2HZ LYS 4 4.094 15.654 -18.804 39 H LEU 5 H LEU 5 7.357 19.955 -11.898 40 HA LEU 5 HA LEU 5 8.116 17.496 -10.802 41 HB2 LEU 5 2HB LEU 5 6.802 19.889 -9.520 42 HB3 LEU 5 1HB LEU 5 7.446 18.533 -8.618 43 HG LEU 5 HG LEU 5 8.789 20.868 -9.403 44 HD11 LEU 5 1HD1 LEU 5 9.740 18.280 -8.211 45 HD12 LEU 5 2HD1 LEU 5 9.224 19.730 -7.359 46 HD13 LEU 5 3HD1 LEU 5 10.717 19.737 -8.299 47 HD21 LEU 5 3HD2 LEU 5 10.757 19.891 -10.599 48 HD22 LEU 5 1HD2 LEU 5 9.296 20.041 -11.573 49 HD23 LEU 5 2HD2 LEU 5 9.769 18.469 -10.928 50 H ILE 6 H ILE 6 4.929 19.042 -10.999 51 HA ILE 6 HA ILE 6 2.841 18.295 -10.496 52 HB ILE 6 HB ILE 6 3.413 17.242 -12.692 53 HG12 ILE 6 2HG1 ILE 6 1.595 15.244 -11.922 54 HG13 ILE 6 1HG1 ILE 6 1.302 16.604 -10.843 55 HG21 ILE 6 1HG2 ILE 6 4.020 14.872 -10.939 56 HG22 ILE 6 2HG2 ILE 6 5.078 15.657 -12.110 57 HG23 ILE 6 3HG2 ILE 6 3.675 14.742 -12.663 58 HD11 ILE 6 3HD1 ILE 6 1.405 17.945 -13.122 59 HD12 ILE 6 1HD1 ILE 6 -0.077 17.188 -12.537 60 HD13 ILE 6 2HD1 ILE 6 0.901 16.379 -13.762 61 H LEU 7 H LEU 7 4.730 17.858 -8.352 62 HA LEU 7 HA LEU 7 4.628 15.340 -7.191 63 HB2 LEU 7 2HB LEU 7 4.931 18.110 -6.137 64 HB3 LEU 7 1HB LEU 7 4.645 16.815 -4.988 65 HG LEU 7 HG LEU 7 6.933 16.930 -6.957 66 HD11 LEU 7 1HD1 LEU 7 6.718 18.428 -4.743 67 HD12 LEU 7 2HD1 LEU 7 8.248 17.794 -5.349 68 HD13 LEU 7 3HD1 LEU 7 7.399 16.959 -4.049 69 HD21 LEU 7 3HD2 LEU 7 7.734 15.051 -5.359 70 HD22 LEU 7 1HD2 LEU 7 6.582 14.667 -6.637 71 HD23 LEU 7 2HD2 LEU 7 6.021 14.881 -4.979 72 H ASN 8 H ASN 8 2.904 14.144 -6.768 73 HA ASN 8 HA ASN 8 0.673 15.320 -5.298 74 HB2 ASN 8 2HB ASN 8 0.313 13.734 -7.851 75 HB3 ASN 8 1HB ASN 8 -0.990 14.262 -6.782 76 HD21 ASN 8 1HD2 ASN 8 -0.362 16.794 -6.190 77 HD22 ASN 8 2HD2 ASN 8 -0.327 17.771 -7.615 78 H LEU 9 H LEU 9 -0.757 13.682 -4.366 79 HA LEU 9 HA LEU 9 0.793 11.419 -3.435 80 HB2 LEU 9 2HB LEU 9 -1.204 11.051 -1.948 81 HB3 LEU 9 1HB LEU 9 -0.333 12.553 -1.715 82 HG LEU 9 HG LEU 9 -2.659 12.639 -3.550 83 HD11 LEU 9 1HD1 LEU 9 -3.378 12.976 -0.735 84 HD12 LEU 9 2HD1 LEU 9 -3.019 11.314 -1.204 85 HD13 LEU 9 3HD1 LEU 9 -4.270 12.221 -2.055 86 HD21 LEU 9 3HD2 LEU 9 -0.966 14.469 -2.295 87 HD22 LEU 9 1HD2 LEU 9 -2.509 14.617 -1.454 88 HD23 LEU 9 2HD2 LEU 9 -2.435 14.825 -3.204 89 H LYS 10 H LYS 10 -1.947 12.061 -5.493 90 HA LYS 10 HA LYS 10 -3.314 9.757 -5.709 91 HB2 LYS 10 2HB LYS 10 -2.528 11.843 -7.638 92 HB3 LYS 10 1HB LYS 10 -3.051 10.325 -8.352 93 HG2 LYS 10 2HG LYS 10 -5.089 11.240 -8.200 94 HG3 LYS 10 1HG LYS 10 -4.999 10.706 -6.520 95 HD2 LYS 10 2HD LYS 10 -4.729 12.813 -5.725 96 HD3 LYS 10 1HD LYS 10 -3.801 13.339 -7.131 97 HE2 LYS 10 2HE LYS 10 -6.749 12.782 -7.282 98 HE3 LYS 10 1HE LYS 10 -6.121 14.357 -6.798 99 HZ1 LYS 10 3HZ LYS 10 -4.772 14.165 -8.970 100 HZ2 LYS 10 1HZ LYS 10 -6.406 14.592 -9.057 101 HZ3 LYS 10 2HZ LYS 10 -5.925 13.010 -9.410 102 H GLN 11 H GLN 11 -0.240 10.373 -7.425 103 HA GLN 11 HA GLN 11 0.071 8.025 -8.787 104 HB2 GLN 11 2HB GLN 11 2.572 8.310 -8.304 105 HB3 GLN 11 1HB GLN 11 1.748 9.644 -9.096 106 HG2 GLN 11 2HG GLN 11 1.662 10.892 -7.064 107 HG3 GLN 11 1HG GLN 11 2.257 9.513 -6.134 108 HE21 GLN 11 1HE2 GLN 11 3.082 12.272 -7.917 109 HE22 GLN 11 2HE2 GLN 11 4.798 12.067 -7.905 110 H ALA 12 H ALA 12 0.433 8.582 -5.361 111 HA ALA 12 HA ALA 12 1.451 5.926 -4.833 112 HB1 ALA 12 1HB ALA 12 1.890 6.653 -2.725 113 HB2 ALA 12 2HB ALA 12 0.426 7.632 -2.637 114 HB3 ALA 12 3HB ALA 12 1.827 8.218 -3.536 115 H LYS 13 H LYS 13 -1.591 7.677 -4.640 116 HA LYS 13 HA LYS 13 -3.045 5.821 -3.134 117 HB2 LYS 13 2HB LYS 13 -4.448 7.557 -3.299 118 HB3 LYS 13 1HB LYS 13 -3.588 8.200 -4.690 119 HG2 LYS 13 2HG LYS 13 -5.514 5.935 -5.035 120 HG3 LYS 13 1HG LYS 13 -6.099 7.593 -4.882 121 HD2 LYS 13 2HD LYS 13 -5.270 8.218 -6.899 122 HD3 LYS 13 1HD LYS 13 -3.880 7.140 -6.779 123 HE2 LYS 13 2HE LYS 13 -5.203 5.248 -7.386 124 HE3 LYS 13 1HE LYS 13 -6.693 6.181 -7.261 125 HZ1 LYS 13 3HZ LYS 13 -5.579 5.736 -9.565 126 HZ2 LYS 13 1HZ LYS 13 -4.636 7.078 -9.147 127 HZ3 LYS 13 2HZ LYS 13 -6.318 7.222 -9.240 128 H GLU 14 H GLU 14 -2.252 6.006 -6.539 129 HA GLU 14 HA GLU 14 -3.892 3.759 -7.282 130 HB2 GLU 14 2HB GLU 14 -3.413 5.505 -8.922 131 HB3 GLU 14 1HB GLU 14 -1.687 5.203 -8.774 132 HG2 GLU 14 2HG GLU 14 -2.265 4.118 -10.734 133 HG3 GLU 14 1HG GLU 14 -2.239 2.820 -9.540 134 H GLU 15 H GLU 15 -0.597 4.352 -6.300 135 HA GLU 15 HA GLU 15 0.703 2.044 -7.096 136 HB2 GLU 15 2HB GLU 15 1.021 4.030 -4.945 137 HB3 GLU 15 1HB GLU 15 1.755 2.469 -4.610 138 HG2 GLU 15 2HG GLU 15 2.292 4.236 -6.983 139 HG3 GLU 15 1HG GLU 15 3.356 3.954 -5.602 140 H ALA 16 H ALA 16 -1.165 2.615 -4.132 141 HA ALA 16 HA ALA 16 -0.917 -0.072 -3.196 142 HB1 ALA 16 1HB ALA 16 -2.427 0.582 -1.444 143 HB2 ALA 16 2HB ALA 16 -2.906 2.023 -2.340 144 HB3 ALA 16 3HB ALA 16 -1.265 1.881 -1.709 145 H ILE 17 H ILE 17 -3.461 1.771 -4.848 146 HA ILE 17 HA ILE 17 -5.496 -0.120 -4.766 147 HB ILE 17 HB ILE 17 -4.817 2.096 -6.661 148 HG12 ILE 17 2HG1 ILE 17 -7.213 1.492 -4.919 149 HG13 ILE 17 1HG1 ILE 17 -5.901 2.599 -4.530 150 HG21 ILE 17 1HG2 ILE 17 -7.038 0.107 -7.136 151 HG22 ILE 17 2HG2 ILE 17 -5.665 0.444 -8.192 152 HG23 ILE 17 3HG2 ILE 17 -6.901 1.673 -7.933 153 HD11 ILE 17 3HD1 ILE 17 -6.544 4.072 -6.306 154 HD12 ILE 17 1HD1 ILE 17 -7.954 3.724 -5.306 155 HD13 ILE 17 2HD1 ILE 17 -7.763 2.927 -6.867 156 H LYS 18 H LYS 18 -2.943 0.295 -7.212 157 HA LYS 18 HA LYS 18 -3.738 -1.830 -8.871 158 HB2 LYS 18 2HB LYS 18 -1.838 0.117 -9.016 159 HB3 LYS 18 1HB LYS 18 -0.843 -1.302 -8.720 160 HG2 LYS 18 2HG LYS 18 -1.502 -2.331 -10.697 161 HG3 LYS 18 1HG LYS 18 -2.931 -1.310 -10.862 162 HD2 LYS 18 2HD LYS 18 -0.950 0.548 -10.895 163 HD3 LYS 18 1HD LYS 18 -0.149 -0.819 -11.672 164 HE2 LYS 18 2HE LYS 18 -2.518 -0.877 -12.947 165 HE3 LYS 18 1HE LYS 18 -2.401 0.848 -12.602 166 HZ1 LYS 18 3HZ LYS 18 -1.396 0.529 -14.683 167 HZ2 LYS 18 1HZ LYS 18 -0.527 -0.828 -14.167 168 HZ3 LYS 18 2HZ LYS 18 -0.108 0.711 -13.603 169 H GLU 19 H GLU 19 -1.464 -1.705 -6.156 170 HA GLU 19 HA GLU 19 -0.669 -4.429 -6.383 171 HB2 GLU 19 2HB GLU 19 -0.468 -2.623 -3.973 172 HB3 GLU 19 1HB GLU 19 0.488 -4.065 -4.296 173 HG2 GLU 19 2HG GLU 19 0.569 -1.886 -6.302 174 HG3 GLU 19 1HG GLU 19 1.389 -1.616 -4.763 175 H LEU 20 H LEU 20 -3.154 -2.723 -4.577 176 HA LEU 20 HA LEU 20 -3.779 -4.830 -2.815 177 HB2 LEU 20 2HB LEU 20 -4.861 -2.221 -3.466 178 HB3 LEU 20 1HB LEU 20 -6.133 -3.384 -3.149 179 HG LEU 20 HG LEU 20 -5.044 -3.891 -0.947 180 HD11 LEU 20 1HD1 LEU 20 -3.208 -2.816 -0.179 181 HD12 LEU 20 2HD1 LEU 20 -3.509 -1.371 -1.150 182 HD13 LEU 20 3HD1 LEU 20 -2.823 -2.813 -1.903 183 HD21 LEU 20 3HD2 LEU 20 -5.800 -1.834 0.127 184 HD22 LEU 20 1HD2 LEU 20 -6.933 -2.365 -1.114 185 HD23 LEU 20 2HD2 LEU 20 -5.833 -1.028 -1.436 186 H VAL 21 H VAL 21 -4.981 -3.954 -5.996 187 HA VAL 21 HA VAL 21 -7.060 -5.916 -6.024 188 HB VAL 21 HB VAL 21 -5.809 -4.629 -8.448 189 HG11 VAL 21 1HG1 VAL 21 -8.704 -5.118 -8.270 190 HG12 VAL 21 2HG1 VAL 21 -7.689 -6.560 -8.316 191 HG13 VAL 21 3HG1 VAL 21 -7.587 -5.368 -9.612 192 HG21 VAL 21 3HG2 VAL 21 -6.976 -3.267 -6.291 193 HG22 VAL 21 1HG2 VAL 21 -8.203 -3.307 -7.557 194 HG23 VAL 21 2HG2 VAL 21 -6.610 -2.630 -7.894 195 H ASP 22 H ASP 22 -3.700 -5.833 -6.949 196 HA ASP 22 HA ASP 22 -3.717 -8.184 -8.545 197 HB2 ASP 22 2HB ASP 22 -1.819 -6.202 -7.741 198 HB3 ASP 22 1HB ASP 22 -1.130 -7.795 -7.440 199 H ALA 23 H ALA 23 -3.570 -7.648 -5.115 200 HA ALA 23 HA ALA 23 -3.231 -10.556 -4.755 201 HB1 ALA 23 1HB ALA 23 -1.187 -8.987 -4.155 202 HB2 ALA 23 2HB ALA 23 -1.600 -10.385 -3.166 203 HB3 ALA 23 3HB ALA 23 -2.099 -8.772 -2.660 204 H GLY 24 H GLY 24 -4.274 -11.490 -2.947 205 HA2 GLY 24 2HA GLY 24 -6.773 -10.304 -2.297 206 HA3 GLY 24 1HA GLY 24 -6.107 -11.775 -1.601 207 H THR 25 H THR 25 -5.743 -8.252 -1.481 208 HA THR 25 HA THR 25 -4.972 -8.446 1.344 209 HB THR 25 HB THR 25 -3.316 -7.324 0.132 210 HG1 THR 25 1HG THR 25 -3.551 -5.128 0.898 211 HG21 THR 25 3HG2 THR 25 -4.280 -6.822 -1.928 212 HG22 THR 25 1HG2 THR 25 -3.862 -5.275 -1.201 213 HG23 THR 25 2HG2 THR 25 -5.536 -5.826 -1.192 214 H ALA 26 H ALA 26 -5.565 -5.826 2.098 215 HA ALA 26 HA ALA 26 -8.502 -5.915 2.149 216 HB1 ALA 26 1HB ALA 26 -8.446 -5.195 4.281 217 HB2 ALA 26 2HB ALA 26 -7.095 -4.105 3.999 218 HB3 ALA 26 3HB ALA 26 -6.798 -5.824 4.232 219 H GLU 27 H GLU 27 -9.730 -4.143 1.635 220 HA GLU 27 HA GLU 27 -8.680 -2.309 -0.249 221 HB2 GLU 27 2HB GLU 27 -11.344 -2.118 1.155 222 HB3 GLU 27 1HB GLU 27 -10.918 -1.470 -0.419 223 HG2 GLU 27 2HG GLU 27 -10.617 -4.381 -0.118 224 HG3 GLU 27 1HG GLU 27 -12.265 -3.760 -0.048 225 H LYS 28 H LYS 28 -9.506 -2.100 3.152 226 HA LYS 28 HA LYS 28 -9.651 0.578 3.623 227 HB2 LYS 28 2HB LYS 28 -8.014 -1.201 5.414 228 HB3 LYS 28 1HB LYS 28 -9.007 0.177 5.860 229 HG2 LYS 28 2HG LYS 28 -9.940 -2.541 4.971 230 HG3 LYS 28 1HG LYS 28 -10.150 -1.781 6.545 231 HD2 LYS 28 2HD LYS 28 -11.457 0.031 5.309 232 HD3 LYS 28 1HD LYS 28 -11.480 -1.087 3.945 233 HE2 LYS 28 2HE LYS 28 -13.424 -1.726 4.926 234 HE3 LYS 28 1HE LYS 28 -12.321 -2.759 5.833 235 HZ1 LYS 28 3HZ LYS 28 -12.281 -0.545 7.315 236 HZ2 LYS 28 1HZ LYS 28 -13.348 -1.826 7.578 237 HZ3 LYS 28 2HZ LYS 28 -13.859 -0.466 6.714 238 H TYR 29 H TYR 29 -6.755 -1.239 2.851 239 HA TYR 29 HA TYR 29 -4.865 0.666 3.674 240 HB2 TYR 29 2HB TYR 29 -4.535 -1.280 1.374 241 HB3 TYR 29 1HB TYR 29 -3.252 -0.469 2.275 242 HD1 TYR 29 1HD TYR 29 -4.063 -0.755 5.039 243 HD2 TYR 29 2HD TYR 29 -4.347 -3.557 1.850 244 HE1 TYR 29 1HE TYR 29 -3.988 -2.596 6.656 245 HE2 TYR 29 2HE TYR 29 -4.276 -5.404 3.466 246 HH TYR 29 HH TYR 29 -4.981 -5.365 6.338 247 H PHE 30 H PHE 30 -6.181 0.173 0.353 248 HA PHE 30 HA PHE 30 -4.814 2.386 -0.705 249 HB2 PHE 30 2HB PHE 30 -6.237 2.255 -2.632 250 HB3 PHE 30 1HB PHE 30 -5.836 0.626 -2.120 251 HD1 PHE 30 2HD PHE 30 -8.528 3.136 -1.363 252 HD2 PHE 30 1HD PHE 30 -7.526 -0.878 -2.363 253 HE1 PHE 30 2HE PHE 30 -10.912 2.547 -1.384 254 HE2 PHE 30 1HE PHE 30 -9.909 -1.467 -2.391 255 HZ PHE 30 HZ PHE 30 -11.606 0.244 -1.900 256 H LYS 31 H LYS 31 -7.644 2.197 1.252 257 HA LYS 31 HA LYS 31 -8.554 4.860 0.580 258 HB2 LYS 31 2HB LYS 31 -9.871 2.716 1.531 259 HB3 LYS 31 1HB LYS 31 -9.501 3.520 3.050 260 HG2 LYS 31 2HG LYS 31 -11.507 4.475 2.603 261 HG3 LYS 31 1HG LYS 31 -10.453 5.617 1.768 262 HD2 LYS 31 2HD LYS 31 -12.190 5.140 0.249 263 HD3 LYS 31 1HD LYS 31 -10.806 4.196 -0.308 264 HE2 LYS 31 2HE LYS 31 -12.744 2.800 -0.411 265 HE3 LYS 31 1HE LYS 31 -11.738 2.239 0.923 266 HZ1 LYS 31 3HZ LYS 31 -13.179 3.251 2.485 267 HZ2 LYS 31 1HZ LYS 31 -14.163 2.385 1.415 268 HZ3 LYS 31 2HZ LYS 31 -14.043 4.067 1.282 269 H LEU 32 H LEU 32 -6.859 3.229 3.191 270 HA LEU 32 HA LEU 32 -6.690 5.455 4.930 271 HB2 LEU 32 2HB LEU 32 -5.746 2.725 4.825 272 HB3 LEU 32 1HB LEU 32 -4.485 3.795 5.428 273 HG LEU 32 HG LEU 32 -6.656 4.622 6.881 274 HD11 LEU 32 1HD1 LEU 32 -7.067 1.816 6.053 275 HD12 LEU 32 2HD1 LEU 32 -8.238 3.051 6.517 276 HD13 LEU 32 3HD1 LEU 32 -7.325 2.190 7.761 277 HD21 LEU 32 3HD2 LEU 32 -5.587 2.875 8.581 278 HD22 LEU 32 1HD2 LEU 32 -4.775 4.367 8.126 279 HD23 LEU 32 2HD2 LEU 32 -4.332 2.847 7.349 280 H ILE 33 H ILE 33 -4.642 4.235 2.339 281 HA ILE 33 HA ILE 33 -2.505 6.059 2.891 282 HB ILE 33 HB ILE 33 -1.647 5.335 0.641 283 HG12 ILE 33 2HG1 ILE 33 -3.163 2.945 0.391 284 HG13 ILE 33 1HG1 ILE 33 -4.302 4.284 0.440 285 HG21 ILE 33 1HG2 ILE 33 -2.188 2.908 2.274 286 HG22 ILE 33 2HG2 ILE 33 -1.298 4.247 2.997 287 HG23 ILE 33 3HG2 ILE 33 -0.683 3.464 1.542 288 HD11 ILE 33 3HD1 ILE 33 -3.839 4.025 -1.815 289 HD12 ILE 33 1HD1 ILE 33 -2.122 3.743 -1.527 290 HD13 ILE 33 2HD1 ILE 33 -2.793 5.359 -1.329 291 H ALA 34 H ALA 34 -5.101 5.923 0.458 292 HA ALA 34 HA ALA 34 -4.375 8.154 -1.035 293 HB1 ALA 34 1HB ALA 34 -6.215 6.442 -1.494 294 HB2 ALA 34 2HB ALA 34 -6.540 8.119 -1.935 295 HB3 ALA 34 3HB ALA 34 -7.235 7.443 -0.462 296 H ASN 35 H ASN 35 -5.753 7.908 2.124 297 HA ASN 35 HA ASN 35 -6.690 10.627 2.231 298 HB2 ASN 35 2HB ASN 35 -7.929 9.178 3.593 299 HB3 ASN 35 1HB ASN 35 -6.488 8.369 4.212 300 HD21 ASN 35 1HD2 ASN 35 -6.476 8.704 6.321 301 HD22 ASN 35 2HD2 ASN 35 -6.671 10.225 7.103 302 H ALA 36 H ALA 36 -3.695 9.026 2.685 303 HA ALA 36 HA ALA 36 -2.492 10.747 4.581 304 HB1 ALA 36 1HB ALA 36 -1.288 9.008 2.438 305 HB2 ALA 36 2HB ALA 36 -1.497 8.620 4.147 306 HB3 ALA 36 3HB ALA 36 -0.348 9.865 3.659 307 H LYS 37 H LYS 37 -1.284 12.587 4.341 308 HA LYS 37 HA LYS 37 -1.772 14.123 1.940 309 HB2 LYS 37 2HB LYS 37 -0.541 15.927 3.211 310 HB3 LYS 37 1HB LYS 37 -2.010 15.326 3.980 311 HG2 LYS 37 2HG LYS 37 -0.893 14.735 5.801 312 HG3 LYS 37 1HG LYS 37 0.274 13.813 4.851 313 HD2 LYS 37 2HD LYS 37 1.386 16.027 4.323 314 HD3 LYS 37 1HD LYS 37 0.358 16.733 5.576 315 HE2 LYS 37 2HE LYS 37 1.339 15.394 7.261 316 HE3 LYS 37 1HE LYS 37 2.135 14.354 6.077 317 HZ1 LYS 37 3HZ LYS 37 2.754 17.238 6.402 318 HZ2 LYS 37 1HZ LYS 37 3.616 16.100 5.501 319 HZ3 LYS 37 2HZ LYS 37 3.609 16.013 7.190 320 H THR 38 H THR 38 0.857 12.386 3.416 321 HA THR 38 HA THR 38 2.718 13.408 1.388 322 HB THR 38 HB THR 38 4.420 12.129 2.833 323 HG1 THR 38 1HG THR 38 2.668 11.022 3.997 324 HG21 THR 38 3HG2 THR 38 3.367 14.722 3.107 325 HG22 THR 38 1HG2 THR 38 4.946 14.120 3.612 326 HG23 THR 38 2HG2 THR 38 3.585 14.074 4.733 327 H VAL 39 H VAL 39 3.676 12.098 -0.089 328 HA VAL 39 HA VAL 39 2.331 9.737 -0.846 329 HB VAL 39 HB VAL 39 4.154 9.451 -2.500 330 HG11 VAL 39 1HG1 VAL 39 2.674 10.761 -3.560 331 HG12 VAL 39 2HG1 VAL 39 3.856 12.041 -3.295 332 HG13 VAL 39 3HG1 VAL 39 2.502 11.849 -2.183 333 HG21 VAL 39 3HG2 VAL 39 6.153 10.157 -1.705 334 HG22 VAL 39 1HG2 VAL 39 5.440 11.458 -0.753 335 HG23 VAL 39 2HG2 VAL 39 5.670 11.661 -2.489 336 H GLU 40 H GLU 40 5.357 10.304 0.881 337 HA GLU 40 HA GLU 40 6.449 7.769 0.860 338 HB2 GLU 40 2HB GLU 40 6.452 9.667 3.211 339 HB3 GLU 40 1HB GLU 40 7.610 8.380 2.904 340 HG2 GLU 40 2HG GLU 40 8.780 9.604 1.437 341 HG3 GLU 40 1HG GLU 40 7.337 10.334 0.735 342 H GLY 41 H GLY 41 3.672 8.930 2.591 343 HA2 GLY 41 2HA GLY 41 3.564 6.756 4.470 344 HA3 GLY 41 1HA GLY 41 2.294 7.936 4.161 345 H VAL 42 H VAL 42 2.054 7.519 1.390 346 HA VAL 42 HA VAL 42 0.308 5.261 1.387 347 HB VAL 42 HB VAL 42 1.212 7.077 -0.848 348 HG11 VAL 42 1HG1 VAL 42 -0.567 4.705 -0.827 349 HG12 VAL 42 2HG1 VAL 42 0.494 5.315 -2.094 350 HG13 VAL 42 3HG1 VAL 42 -1.062 6.092 -1.798 351 HG21 VAL 42 3HG2 VAL 42 -0.885 7.216 1.199 352 HG22 VAL 42 1HG2 VAL 42 -1.424 7.578 -0.441 353 HG23 VAL 42 2HG2 VAL 42 -0.107 8.503 0.279 354 H TRP 43 H TRP 43 3.380 6.022 -0.241 355 HA TRP 43 HA TRP 43 3.558 3.600 -1.667 356 HB2 TRP 43 2HB TRP 43 5.598 5.655 -0.820 357 HB3 TRP 43 1HB TRP 43 6.098 4.199 -1.674 358 HD1 TRP 43 HD TRP 43 4.053 7.421 -2.200 359 HE1 TRP 43 1HE TRP 43 3.833 7.845 -4.723 360 HE3 TRP 43 3HE TRP 43 6.081 3.057 -3.944 361 HZ2 TRP 43 2HZ TRP 43 4.425 6.515 -7.134 362 HZ3 TRP 43 3HZ TRP 43 6.200 2.711 -6.379 363 HH2 TRP 43 HH TRP 43 5.393 4.406 -7.937 364 H THR 44 H THR 44 4.362 4.451 1.620 365 HA THR 44 HA THR 44 6.005 2.189 2.169 366 HB THR 44 HB THR 44 5.289 2.786 4.605 367 HG1 THR 44 1HG THR 44 4.382 4.799 4.823 368 HG21 THR 44 3HG2 THR 44 6.625 5.022 4.409 369 HG22 THR 44 1HG2 THR 44 6.950 4.438 2.777 370 HG23 THR 44 2HG2 THR 44 7.423 3.467 4.171 371 H LEU 45 H LEU 45 2.632 2.959 3.039 372 HA LEU 45 HA LEU 45 1.967 0.494 4.146 373 HB2 LEU 45 2HB LEU 45 0.493 2.786 3.018 374 HB3 LEU 45 1HB LEU 45 -0.387 1.268 3.013 375 HD11 LEU 45 1HD1 LEU 45 1.075 0.434 5.931 376 HD12 LEU 45 2HD1 LEU 45 -0.403 -0.059 5.106 377 HD13 LEU 45 3HD1 LEU 45 -0.496 0.813 6.636 378 HD21 LEU 45 3HD2 LEU 45 1.559 3.530 4.856 379 HD22 LEU 45 1HD2 LEU 45 1.621 2.529 6.307 380 HD23 LEU 45 2HD2 LEU 45 0.383 3.774 6.147 381 H LYS 46 H LYS 46 2.057 1.566 0.808 382 HA LYS 46 HA LYS 46 0.729 -0.585 -0.397 383 HB2 LYS 46 2HB LYS 46 1.291 1.467 -1.610 384 HB3 LYS 46 1HB LYS 46 3.005 1.099 -1.465 385 HG2 LYS 46 2HG LYS 46 1.614 -1.108 -2.667 386 HG3 LYS 46 1HG LYS 46 1.271 0.387 -3.538 387 HD2 LYS 46 2HD LYS 46 3.212 0.021 -4.591 388 HD3 LYS 46 1HD LYS 46 3.977 0.555 -3.095 389 HE2 LYS 46 2HE LYS 46 3.509 -2.041 -2.511 390 HE3 LYS 46 1HE LYS 46 3.748 -2.144 -4.255 391 HZ1 LYS 46 3HZ LYS 46 5.759 -2.302 -2.632 392 HZ2 LYS 46 1HZ LYS 46 5.669 -0.611 -2.652 393 HZ3 LYS 46 2HZ LYS 46 5.910 -1.464 -4.093 394 H ASP 47 H ASP 47 4.104 -0.129 0.534 395 HA ASP 47 HA ASP 47 5.165 -2.468 -0.581 396 HB2 ASP 47 2HB ASP 47 6.226 -0.388 0.786 397 HB3 ASP 47 1HB ASP 47 6.242 -1.617 2.047 398 H GLU 48 H GLU 48 3.395 -1.871 2.379 399 HA GLU 48 HA GLU 48 3.871 -4.410 3.574 400 HB2 GLU 48 2HB GLU 48 2.112 -2.089 4.079 401 HB3 GLU 48 1HB GLU 48 1.510 -3.633 4.666 402 HG2 GLU 48 2HG GLU 48 3.803 -3.906 5.757 403 HG3 GLU 48 1HG GLU 48 4.017 -2.186 5.436 404 H ILE 49 H ILE 49 1.749 -3.267 1.110 405 HA ILE 49 HA ILE 49 -0.200 -5.369 1.271 406 HB ILE 49 HB ILE 49 0.420 -3.665 -1.137 407 HG12 ILE 49 2HG1 ILE 49 0.151 -2.156 0.727 408 HG13 ILE 49 1HG1 ILE 49 -1.309 -2.105 -0.249 409 HG21 ILE 49 1HG2 ILE 49 -1.228 -5.748 -0.997 410 HG22 ILE 49 2HG2 ILE 49 -1.574 -4.328 -1.983 411 HG23 ILE 49 3HG2 ILE 49 -2.314 -4.499 -0.392 412 HD11 ILE 49 3HD1 ILE 49 -2.258 -2.234 1.796 413 HD12 ILE 49 1HD1 ILE 49 -0.893 -3.103 2.498 414 HD13 ILE 49 2HD1 ILE 49 -2.063 -3.960 1.495 415 H LYS 50 H LYS 50 2.803 -4.823 -0.479 416 HA LYS 50 HA LYS 50 2.494 -7.070 -2.227 417 HB2 LYS 50 2HB LYS 50 3.878 -5.034 -2.730 418 HB3 LYS 50 1HB LYS 50 5.041 -5.597 -1.539 419 HG2 LYS 50 2HG LYS 50 6.037 -6.733 -3.155 420 HG3 LYS 50 1HG LYS 50 4.617 -7.778 -3.222 421 HD2 LYS 50 2HD LYS 50 3.677 -6.583 -4.999 422 HD3 LYS 50 1HD LYS 50 4.703 -5.176 -4.714 423 HE2 LYS 50 2HE LYS 50 5.842 -6.025 -6.474 424 HE3 LYS 50 1HE LYS 50 6.596 -7.002 -5.214 425 HZ1 LYS 50 3HZ LYS 50 5.978 -8.519 -6.848 426 HZ2 LYS 50 1HZ LYS 50 4.480 -7.782 -7.122 427 HZ3 LYS 50 2HZ LYS 50 4.744 -8.658 -5.699 428 H THR 51 H THR 51 3.946 -6.526 0.913 429 HA THR 51 HA THR 51 5.082 -9.225 0.913 430 HB THR 51 HB THR 51 5.343 -7.491 3.304 431 HG1 THR 51 1HG THR 51 6.948 -6.245 2.278 432 HG21 THR 51 3HG2 THR 51 6.699 -9.299 3.540 433 HG22 THR 51 1HG2 THR 51 7.819 -8.172 2.771 434 HG23 THR 51 2HG2 THR 51 7.022 -9.422 1.810 435 H PHE 52 H PHE 52 2.901 -7.188 2.832 436 HA PHE 52 HA PHE 52 1.222 -7.686 4.276 437 HB2 PHE 52 2HB PHE 52 1.007 -9.502 2.089 438 HB3 PHE 52 1HB PHE 52 0.572 -10.358 3.558 439 HD1 PHE 52 1HD PHE 52 -0.004 -6.916 2.241 440 HD2 PHE 52 2HD PHE 52 -1.685 -10.456 3.878 441 HE1 PHE 52 1HE PHE 52 -2.240 -5.870 2.163 442 HE2 PHE 52 2HE PHE 52 -3.922 -9.436 3.814 443 HZ PHE 52 HZ PHE 52 -4.200 -7.146 2.948 444 H THR 53 H THR 53 4.064 -8.658 4.775 445 HA THR 53 HA THR 53 5.192 -9.629 6.466 446 HB THR 53 HB THR 53 2.450 -9.378 7.526 447 HG1 THR 53 1HG THR 53 4.307 -7.925 7.812 448 HG21 THR 53 3HG2 THR 53 4.326 -11.412 8.637 449 HG22 THR 53 1HG2 THR 53 2.590 -11.532 8.371 450 HG23 THR 53 2HG2 THR 53 3.208 -10.532 9.683 451 H VAL 54 H VAL 54 2.208 -11.585 6.273 452 HA VAL 54 HA VAL 54 3.378 -14.061 6.653 453 HB VAL 54 HB VAL 54 1.406 -15.028 5.523 454 HG11 VAL 54 1HG1 VAL 54 0.264 -12.833 7.150 455 HG12 VAL 54 2HG1 VAL 54 1.504 -13.832 7.902 456 HG13 VAL 54 3HG1 VAL 54 0.035 -14.574 7.269 457 HG21 VAL 54 3HG2 VAL 54 0.613 -12.170 4.974 458 HG22 VAL 54 1HG2 VAL 54 -0.293 -13.626 4.562 459 HG23 VAL 54 2HG2 VAL 54 1.241 -13.280 3.755 460 H THR 55 H THR 55 3.305 -15.855 4.911 461 HA THR 55 HA THR 55 4.533 -14.864 2.426 462 HB THR 55 HB THR 55 5.414 -17.342 3.902 463 HG1 THR 55 1HG THR 55 6.087 -15.689 5.164 464 HG21 THR 55 3HG2 THR 55 7.185 -17.509 2.426 465 HG22 THR 55 1HG2 THR 55 7.015 -15.837 1.871 466 HG23 THR 55 2HG2 THR 55 5.843 -17.053 1.375 467 H GLU 56 H GLU 56 2.949 -17.612 4.016 468 HA GLU 56 HA GLU 56 1.949 -18.467 1.384 469 HB2 GLU 56 2HB GLU 56 2.735 -19.959 3.840 470 HB3 GLU 56 1HB GLU 56 1.428 -20.616 2.873 471 HG2 GLU 56 2HG GLU 56 2.821 -20.811 0.960 472 HG3 GLU 56 1HG GLU 56 4.115 -19.899 1.737 Start of MODEL 5 1 H1 THR 1 1HT THR 1 15.330 15.236 -12.663 2 H2 THR 1 2HT THR 1 16.537 16.456 -12.619 3 H3 THR 1 3HT THR 1 15.072 16.726 -13.470 4 HA THR 1 HA THR 1 15.591 16.663 -10.599 5 HB THR 1 HB THR 1 15.611 18.758 -11.995 6 HG1 THR 1 1HG THR 1 14.990 18.637 -9.704 7 HG21 THR 1 3HG2 THR 1 13.530 17.897 -13.350 8 HG22 THR 1 1HG2 THR 1 13.792 19.615 -13.054 9 HG23 THR 1 2HG2 THR 1 12.646 18.715 -12.061 10 H THR 2 H THR 2 14.179 15.795 -9.218 11 HA THR 2 HA THR 2 11.778 14.539 -10.285 12 HB THR 2 HB THR 2 12.815 14.400 -7.454 13 HG1 THR 2 1HG THR 2 13.433 12.680 -9.622 14 HG21 THR 2 3HG2 THR 2 10.726 12.993 -8.964 15 HG22 THR 2 1HG2 THR 2 10.878 13.296 -7.233 16 HG23 THR 2 2HG2 THR 2 11.782 11.979 -7.981 17 H TYR 3 H TYR 3 9.728 14.721 -9.123 18 HA TYR 3 HA TYR 3 9.137 17.483 -8.541 19 HB2 TYR 3 2HB TYR 3 7.702 15.343 -9.598 20 HB3 TYR 3 1HB TYR 3 6.963 15.619 -8.024 21 HD1 TYR 3 1HD TYR 3 8.183 17.641 -10.928 22 HD2 TYR 3 2HD TYR 3 5.181 17.075 -7.967 23 HE1 TYR 3 1HE TYR 3 6.912 19.527 -11.865 24 HE2 TYR 3 2HE TYR 3 3.901 18.959 -8.897 25 HH TYR 3 HH TYR 3 3.814 20.084 -11.370 26 H LYS 4 H LYS 4 7.913 18.139 -6.626 27 HA LYS 4 HA LYS 4 9.210 17.447 -4.245 28 HB2 LYS 4 2HB LYS 4 7.458 18.763 -3.126 29 HB3 LYS 4 1HB LYS 4 8.116 19.591 -4.531 30 HG2 LYS 4 2HG LYS 4 6.020 18.320 -5.649 31 HG3 LYS 4 1HG LYS 4 5.403 18.586 -4.025 32 HD2 LYS 4 2HD LYS 4 5.809 20.956 -4.210 33 HD3 LYS 4 1HD LYS 4 6.607 20.737 -5.765 34 HE2 LYS 4 2HE LYS 4 4.439 19.797 -6.623 35 HE3 LYS 4 1HE LYS 4 3.698 20.310 -5.113 36 HZ1 LYS 4 3HZ LYS 4 3.310 22.013 -6.676 37 HZ2 LYS 4 1HZ LYS 4 4.918 22.015 -7.208 38 HZ3 LYS 4 2HZ LYS 4 4.534 22.595 -5.666 39 H LEU 5 H LEU 5 7.519 16.998 -2.245 40 HA LEU 5 HA LEU 5 6.680 14.259 -2.721 41 HB2 LEU 5 2HB LEU 5 7.127 13.892 -0.554 42 HB3 LEU 5 1HB LEU 5 7.992 15.412 -0.655 43 HG LEU 5 HG LEU 5 5.760 16.482 0.089 44 HD11 LEU 5 1HD1 LEU 5 5.137 14.035 1.556 45 HD12 LEU 5 2HD1 LEU 5 4.839 13.936 -0.181 46 HD13 LEU 5 3HD1 LEU 5 4.066 15.195 0.771 47 HD21 LEU 5 3HD2 LEU 5 7.047 14.775 2.186 48 HD22 LEU 5 1HD2 LEU 5 6.474 16.436 2.300 49 HD23 LEU 5 2HD2 LEU 5 7.948 16.073 1.404 50 H ILE 6 H ILE 6 5.288 17.356 -1.796 51 HA ILE 6 HA ILE 6 2.678 16.337 -1.302 52 HB ILE 6 HB ILE 6 3.587 18.485 -0.376 53 HG12 ILE 6 2HG1 ILE 6 1.473 19.652 -0.447 54 HG13 ILE 6 1HG1 ILE 6 1.008 18.807 -1.915 55 HG21 ILE 6 1HG2 ILE 6 3.409 20.505 -1.788 56 HG22 ILE 6 2HG2 ILE 6 3.100 19.468 -3.182 57 HG23 ILE 6 3HG2 ILE 6 4.649 19.378 -2.343 58 HD11 ILE 6 3HD1 ILE 6 -0.113 17.929 0.081 59 HD12 ILE 6 1HD1 ILE 6 1.458 17.508 0.761 60 HD13 ILE 6 2HD1 ILE 6 0.888 16.715 -0.711 61 H LEU 7 H LEU 7 0.746 17.032 -2.577 62 HA LEU 7 HA LEU 7 -0.474 16.894 -4.485 63 HB2 LEU 7 2HB LEU 7 1.812 18.661 -5.153 64 HB3 LEU 7 1HB LEU 7 0.817 18.099 -6.484 65 HG LEU 7 HG LEU 7 -0.576 19.267 -4.143 66 HD11 LEU 7 1HD1 LEU 7 0.346 21.200 -6.179 67 HD12 LEU 7 2HD1 LEU 7 1.542 20.661 -5.000 68 HD13 LEU 7 3HD1 LEU 7 0.043 21.424 -4.456 69 HD21 LEU 7 3HD2 LEU 7 -2.049 20.123 -5.899 70 HD22 LEU 7 1HD2 LEU 7 -1.837 18.381 -6.020 71 HD23 LEU 7 2HD2 LEU 7 -0.975 19.455 -7.122 72 H ASN 8 H ASN 8 1.158 14.678 -3.873 73 HA ASN 8 HA ASN 8 1.382 13.491 -6.524 74 HB2 ASN 8 2HB ASN 8 3.637 14.355 -5.055 75 HB3 ASN 8 1HB ASN 8 3.629 12.594 -4.987 76 HD21 ASN 8 1HD2 ASN 8 5.463 12.468 -6.284 77 HD22 ASN 8 2HD2 ASN 8 5.410 12.776 -7.983 78 H LEU 9 H LEU 9 -0.127 13.308 -3.849 79 HA LEU 9 HA LEU 9 0.444 10.717 -2.820 80 HB2 LEU 9 2HB LEU 9 -1.806 12.662 -2.443 81 HB3 LEU 9 1HB LEU 9 -1.915 11.041 -1.787 82 HG LEU 9 HG LEU 9 0.603 12.315 -1.102 83 HD11 LEU 9 1HD1 LEU 9 -1.011 14.281 -1.280 84 HD12 LEU 9 2HD1 LEU 9 -0.141 14.076 0.239 85 HD13 LEU 9 3HD1 LEU 9 -1.827 13.577 0.115 86 HD21 LEU 9 3HD2 LEU 9 -0.691 11.786 1.217 87 HD22 LEU 9 1HD2 LEU 9 0.236 10.599 0.302 88 HD23 LEU 9 2HD2 LEU 9 -1.516 10.686 0.116 89 H LYS 10 H LYS 10 -1.794 11.970 -5.229 90 HA LYS 10 HA LYS 10 -3.483 9.816 -5.572 91 HB2 LYS 10 2HB LYS 10 -2.505 12.020 -7.288 92 HB3 LYS 10 1HB LYS 10 -3.172 10.632 -8.137 93 HG2 LYS 10 2HG LYS 10 -4.968 12.102 -7.861 94 HG3 LYS 10 1HG LYS 10 -5.195 10.869 -6.620 95 HD2 LYS 10 2HD LYS 10 -3.956 12.456 -5.054 96 HD3 LYS 10 1HD LYS 10 -4.194 13.685 -6.298 97 HE2 LYS 10 2HE LYS 10 -6.094 14.079 -5.143 98 HE3 LYS 10 1HE LYS 10 -6.698 12.737 -6.113 99 HZ1 LYS 10 3HZ LYS 10 -6.894 12.798 -3.485 100 HZ2 LYS 10 1HZ LYS 10 -5.378 12.056 -3.606 101 HZ3 LYS 10 2HZ LYS 10 -6.726 11.351 -4.344 102 H GLN 11 H GLN 11 -0.363 10.426 -7.176 103 HA GLN 11 HA GLN 11 -0.188 8.136 -8.716 104 HB2 GLN 11 2HB GLN 11 2.164 9.301 -7.225 105 HB3 GLN 11 1HB GLN 11 2.173 8.474 -8.777 106 HG2 GLN 11 2HG GLN 11 0.481 10.842 -8.764 107 HG3 GLN 11 1HG GLN 11 2.169 11.190 -8.386 108 HE21 GLN 11 1HE2 GLN 11 3.082 11.939 -10.160 109 HE22 GLN 11 2HE2 GLN 11 2.959 11.245 -11.738 110 H ALA 12 H ALA 12 0.425 8.581 -5.292 111 HA ALA 12 HA ALA 12 1.405 5.901 -4.897 112 HB1 ALA 12 1HB ALA 12 0.487 7.609 -2.639 113 HB2 ALA 12 2HB ALA 12 1.914 8.102 -3.553 114 HB3 ALA 12 3HB ALA 12 1.881 6.534 -2.747 115 H LYS 13 H LYS 13 -1.632 7.613 -4.641 116 HA LYS 13 HA LYS 13 -3.039 5.779 -3.057 117 HB2 LYS 13 2HB LYS 13 -4.408 7.552 -3.229 118 HB3 LYS 13 1HB LYS 13 -3.641 8.101 -4.713 119 HG2 LYS 13 2HG LYS 13 -5.621 5.845 -4.712 120 HG3 LYS 13 1HG LYS 13 -6.133 7.533 -4.774 121 HD2 LYS 13 2HD LYS 13 -4.019 7.048 -6.663 122 HD3 LYS 13 1HD LYS 13 -5.342 5.908 -6.916 123 HE2 LYS 13 2HE LYS 13 -6.925 7.771 -7.026 124 HE3 LYS 13 1HE LYS 13 -5.604 8.910 -6.765 125 HZ1 LYS 13 3HZ LYS 13 -5.616 8.972 -8.998 126 HZ2 LYS 13 1HZ LYS 13 -6.351 7.456 -9.164 127 HZ3 LYS 13 2HZ LYS 13 -4.689 7.563 -8.868 128 H GLU 14 H GLU 14 -2.341 5.926 -6.491 129 HA GLU 14 HA GLU 14 -3.976 3.652 -7.156 130 HB2 GLU 14 2HB GLU 14 -2.881 3.827 -9.376 131 HB3 GLU 14 1HB GLU 14 -3.595 5.345 -8.848 132 HG2 GLU 14 2HG GLU 14 -1.443 6.218 -8.253 133 HG3 GLU 14 1HG GLU 14 -0.678 4.664 -8.579 134 H GLU 15 H GLU 15 -0.659 4.295 -6.290 135 HA GLU 15 HA GLU 15 0.654 2.005 -7.098 136 HB2 GLU 15 2HB GLU 15 0.993 4.010 -4.978 137 HB3 GLU 15 1HB GLU 15 1.720 2.453 -4.606 138 HG2 GLU 15 2HG GLU 15 2.252 4.120 -7.054 139 HG3 GLU 15 1HG GLU 15 3.308 3.950 -5.648 140 H ALA 16 H ALA 16 -1.165 2.548 -4.099 141 HA ALA 16 HA ALA 16 -0.867 -0.131 -3.163 142 HB1 ALA 16 1HB ALA 16 -2.852 1.971 -2.306 143 HB2 ALA 16 2HB ALA 16 -1.222 1.786 -1.658 144 HB3 ALA 16 3HB ALA 16 -2.418 0.512 -1.416 145 H ILE 17 H ILE 17 -3.454 1.663 -4.792 146 HA ILE 17 HA ILE 17 -5.457 -0.260 -4.695 147 HB ILE 17 HB ILE 17 -4.830 1.944 -6.632 148 HG12 ILE 17 2HG1 ILE 17 -7.134 1.415 -4.751 149 HG13 ILE 17 1HG1 ILE 17 -5.787 2.510 -4.459 150 HG21 ILE 17 1HG2 ILE 17 -6.943 1.539 -7.818 151 HG22 ILE 17 2HG2 ILE 17 -7.141 0.024 -6.939 152 HG23 ILE 17 3HG2 ILE 17 -5.790 0.227 -8.055 153 HD11 ILE 17 3HD1 ILE 17 -6.520 4.007 -6.123 154 HD12 ILE 17 1HD1 ILE 17 -7.947 3.570 -5.184 155 HD13 ILE 17 2HD1 ILE 17 -7.675 2.840 -6.767 156 H LYS 18 H LYS 18 -2.962 0.210 -7.204 157 HA LYS 18 HA LYS 18 -3.758 -1.923 -8.844 158 HB2 LYS 18 2HB LYS 18 -1.857 0.037 -8.998 159 HB3 LYS 18 1HB LYS 18 -0.865 -1.394 -8.758 160 HG2 LYS 18 2HG LYS 18 -1.349 -2.240 -10.793 161 HG3 LYS 18 1HG LYS 18 -3.001 -1.620 -10.778 162 HD2 LYS 18 2HD LYS 18 -2.094 0.657 -11.177 163 HD3 LYS 18 1HD LYS 18 -0.482 -0.049 -11.318 164 HE2 LYS 18 2HE LYS 18 -0.852 -0.671 -13.426 165 HE3 LYS 18 1HE LYS 18 -2.391 -1.420 -13.004 166 HZ1 LYS 18 3HZ LYS 18 -2.177 0.710 -14.573 167 HZ2 LYS 18 1HZ LYS 18 -2.373 1.484 -13.080 168 HZ3 LYS 18 2HZ LYS 18 -3.543 0.392 -13.628 169 H GLU 19 H GLU 19 -1.342 -1.782 -6.247 170 HA GLU 19 HA GLU 19 -0.531 -4.481 -6.453 171 HB2 GLU 19 2HB GLU 19 -0.418 -2.699 -4.018 172 HB3 GLU 19 1HB GLU 19 0.584 -4.110 -4.341 173 HG2 GLU 19 2HG GLU 19 0.629 -1.901 -6.319 174 HG3 GLU 19 1HG GLU 19 1.426 -1.636 -4.768 175 H LEU 20 H LEU 20 -3.047 -2.855 -4.632 176 HA LEU 20 HA LEU 20 -3.693 -4.956 -2.877 177 HB2 LEU 20 2HB LEU 20 -4.844 -2.398 -3.694 178 HB3 LEU 20 1HB LEU 20 -6.063 -3.590 -3.292 179 HG LEU 20 HG LEU 20 -4.861 -3.923 -1.098 180 HD11 LEU 20 1HD1 LEU 20 -3.614 -1.279 -1.381 181 HD12 LEU 20 2HD1 LEU 20 -2.809 -2.631 -2.183 182 HD13 LEU 20 3HD1 LEU 20 -3.116 -2.689 -0.447 183 HD21 LEU 20 3HD2 LEU 20 -6.048 -2.226 -0.064 184 HD22 LEU 20 1HD2 LEU 20 -6.899 -2.417 -1.597 185 HD23 LEU 20 2HD2 LEU 20 -5.759 -1.089 -1.379 186 H VAL 21 H VAL 21 -5.013 -4.083 -6.058 187 HA VAL 21 HA VAL 21 -6.972 -6.134 -6.090 188 HB VAL 21 HB VAL 21 -5.799 -5.048 -8.624 189 HG11 VAL 21 1HG1 VAL 21 -7.752 -5.666 -9.561 190 HG12 VAL 21 2HG1 VAL 21 -8.701 -5.185 -8.153 191 HG13 VAL 21 3HG1 VAL 21 -7.852 -6.731 -8.159 192 HG21 VAL 21 3HG2 VAL 21 -6.845 -3.434 -6.478 193 HG22 VAL 21 1HG2 VAL 21 -7.881 -3.321 -7.900 194 HG23 VAL 21 2HG2 VAL 21 -6.166 -2.936 -8.028 195 H ASP 22 H ASP 22 -3.610 -6.006 -6.989 196 HA ASP 22 HA ASP 22 -3.570 -8.392 -8.531 197 HB2 ASP 22 2HB ASP 22 -1.686 -6.379 -7.672 198 HB3 ASP 22 1HB ASP 22 -0.991 -7.989 -7.499 199 H ALA 23 H ALA 23 -3.448 -7.788 -5.105 200 HA ALA 23 HA ALA 23 -3.174 -10.683 -4.677 201 HB1 ALA 23 1HB ALA 23 -1.641 -8.743 -2.963 202 HB2 ALA 23 2HB ALA 23 -0.943 -9.506 -4.395 203 HB3 ALA 23 3HB ALA 23 -1.487 -10.500 -3.044 204 H GLY 24 H GLY 24 -4.202 -11.510 -2.851 205 HA2 GLY 24 2HA GLY 24 -6.541 -10.369 -1.963 206 HA3 GLY 24 1HA GLY 24 -5.628 -11.562 -1.036 207 H THR 25 H THR 25 -6.845 -8.466 -1.017 208 HA THR 25 HA THR 25 -5.133 -7.731 1.254 209 HB THR 25 HB THR 25 -4.391 -6.636 -0.850 210 HG1 THR 25 1HG THR 25 -4.311 -5.644 1.339 211 HG21 THR 25 3HG2 THR 25 -6.590 -4.718 -0.839 212 HG22 THR 25 1HG2 THR 25 -7.029 -6.324 -1.416 213 HG23 THR 25 2HG2 THR 25 -5.714 -5.443 -2.184 214 H ALA 26 H ALA 26 -6.259 -5.166 1.563 215 HA ALA 26 HA ALA 26 -9.103 -5.616 2.059 216 HB1 ALA 26 1HB ALA 26 -7.340 -5.860 4.092 217 HB2 ALA 26 2HB ALA 26 -9.002 -5.298 4.296 218 HB3 ALA 26 3HB ALA 26 -7.683 -4.135 4.173 219 H GLU 27 H GLU 27 -9.961 -4.161 0.739 220 HA GLU 27 HA GLU 27 -9.065 -1.963 -0.468 221 HB2 GLU 27 2HB GLU 27 -11.764 -1.933 0.864 222 HB3 GLU 27 1HB GLU 27 -11.299 -1.124 -0.616 223 HG2 GLU 27 2HG GLU 27 -11.714 -4.054 -0.166 224 HG3 GLU 27 1HG GLU 27 -12.587 -2.985 -1.255 225 H LYS 28 H LYS 28 -9.928 -2.054 2.933 226 HA LYS 28 HA LYS 28 -10.070 0.625 3.550 227 HB2 LYS 28 2HB LYS 28 -8.617 -1.298 5.345 228 HB3 LYS 28 1HB LYS 28 -9.632 0.065 5.792 229 HG2 LYS 28 2HG LYS 28 -10.517 -2.576 4.664 230 HG3 LYS 28 1HG LYS 28 -10.832 -1.922 6.270 231 HD2 LYS 28 2HD LYS 28 -11.784 -0.565 3.764 232 HD3 LYS 28 1HD LYS 28 -12.736 -1.792 4.590 233 HE2 LYS 28 2HE LYS 28 -11.669 0.633 6.006 234 HE3 LYS 28 1HE LYS 28 -13.220 0.643 5.168 235 HZ1 LYS 28 3HZ LYS 28 -14.011 -1.095 6.585 236 HZ2 LYS 28 1HZ LYS 28 -13.412 0.156 7.555 237 HZ3 LYS 28 2HZ LYS 28 -12.502 -1.252 7.333 238 H TYR 29 H TYR 29 -7.256 -1.179 2.618 239 HA TYR 29 HA TYR 29 -5.333 0.583 3.757 240 HB2 TYR 29 2HB TYR 29 -4.911 -1.270 1.397 241 HB3 TYR 29 1HB TYR 29 -3.670 -0.551 2.423 242 HD1 TYR 29 2HD TYR 29 -4.218 -1.015 5.073 243 HD2 TYR 29 1HD TYR 29 -5.285 -3.504 1.797 244 HE1 TYR 29 2HE TYR 29 -4.312 -2.948 6.582 245 HE2 TYR 29 1HE TYR 29 -5.381 -5.445 3.294 246 HH TYR 29 HH TYR 29 -4.394 -6.121 5.499 247 H PHE 30 H PHE 30 -6.428 0.252 0.341 248 HA PHE 30 HA PHE 30 -4.924 2.450 -0.550 249 HB2 PHE 30 2HB PHE 30 -6.242 2.424 -2.568 250 HB3 PHE 30 1HB PHE 30 -5.897 0.771 -2.087 251 HD1 PHE 30 2HD PHE 30 -8.576 3.325 -1.473 252 HD2 PHE 30 1HD PHE 30 -7.582 -0.711 -2.380 253 HE1 PHE 30 2HE PHE 30 -10.966 2.777 -1.624 254 HE2 PHE 30 1HE PHE 30 -9.975 -1.266 -2.537 255 HZ PHE 30 HZ PHE 30 -11.670 0.479 -2.158 256 H LYS 31 H LYS 31 -7.890 2.286 1.197 257 HA LYS 31 HA LYS 31 -8.703 4.982 0.549 258 HB2 LYS 31 2HB LYS 31 -9.843 2.709 1.937 259 HB3 LYS 31 1HB LYS 31 -10.034 4.179 2.883 260 HG2 LYS 31 2HG LYS 31 -10.708 4.831 0.227 261 HG3 LYS 31 1HG LYS 31 -11.503 3.301 0.600 262 HD2 LYS 31 2HD LYS 31 -11.623 5.531 2.581 263 HD3 LYS 31 1HD LYS 31 -12.668 5.582 1.160 264 HE2 LYS 31 2HE LYS 31 -13.874 3.738 1.812 265 HE3 LYS 31 1HE LYS 31 -12.546 3.074 2.764 266 HZ1 LYS 31 3HZ LYS 31 -14.486 3.999 4.046 267 HZ2 LYS 31 1HZ LYS 31 -13.988 5.538 3.552 268 HZ3 LYS 31 2HZ LYS 31 -12.965 4.581 4.499 269 H LEU 32 H LEU 32 -6.881 3.327 3.000 270 HA LEU 32 HA LEU 32 -6.824 5.499 4.864 271 HB2 LEU 32 2HB LEU 32 -5.996 2.768 4.770 272 HB3 LEU 32 1HB LEU 32 -4.617 3.748 5.256 273 HG LEU 32 HG LEU 32 -7.264 4.091 6.625 274 HD11 LEU 32 1HD1 LEU 32 -5.313 1.855 6.944 275 HD12 LEU 32 2HD1 LEU 32 -7.076 1.824 6.984 276 HD13 LEU 32 3HD1 LEU 32 -6.170 2.479 8.348 277 HD21 LEU 32 3HD2 LEU 32 -4.667 4.228 8.022 278 HD22 LEU 32 1HD2 LEU 32 -6.095 5.250 8.174 279 HD23 LEU 32 2HD2 LEU 32 -4.983 5.486 6.827 280 H ILE 33 H ILE 33 -4.574 4.190 2.451 281 HA ILE 33 HA ILE 33 -2.497 6.032 3.006 282 HB ILE 33 HB ILE 33 -1.661 5.375 0.702 283 HG12 ILE 33 2HG1 ILE 33 -3.171 2.953 0.529 284 HG13 ILE 33 1HG1 ILE 33 -4.292 4.309 0.527 285 HG21 ILE 33 1HG2 ILE 33 -2.175 3.102 2.605 286 HG22 ILE 33 2HG2 ILE 33 -0.976 4.365 2.879 287 HG23 ILE 33 3HG2 ILE 33 -0.821 3.289 1.491 288 HD11 ILE 33 3HD1 ILE 33 -3.826 3.977 -1.715 289 HD12 ILE 33 1HD1 ILE 33 -2.117 3.663 -1.413 290 HD13 ILE 33 2HD1 ILE 33 -2.749 5.301 -1.267 291 H ALA 34 H ALA 34 -5.054 5.995 0.532 292 HA ALA 34 HA ALA 34 -4.286 8.280 -0.865 293 HB1 ALA 34 1HB ALA 34 -7.172 7.616 -0.408 294 HB2 ALA 34 2HB ALA 34 -6.145 6.561 -1.379 295 HB3 ALA 34 3HB ALA 34 -6.387 8.240 -1.859 296 H ASN 35 H ASN 35 -5.816 7.906 2.226 297 HA ASN 35 HA ASN 35 -6.764 10.600 2.432 298 HB2 ASN 35 2HB ASN 35 -7.898 8.924 3.718 299 HB3 ASN 35 1HB ASN 35 -6.391 8.390 4.467 300 HD21 ASN 35 1HD2 ASN 35 -6.689 8.810 6.553 301 HD22 ASN 35 2HD2 ASN 35 -7.111 10.350 7.214 302 H ALA 36 H ALA 36 -3.759 8.985 2.990 303 HA ALA 36 HA ALA 36 -2.539 10.591 4.899 304 HB1 ALA 36 1HB ALA 36 -1.491 8.573 4.117 305 HB2 ALA 36 2HB ALA 36 -0.405 9.933 3.831 306 HB3 ALA 36 3HB ALA 36 -1.324 9.244 2.494 307 H LYS 37 H LYS 37 -0.422 11.906 4.061 308 HA LYS 37 HA LYS 37 -1.250 13.784 1.975 309 HB2 LYS 37 2HB LYS 37 -0.289 14.650 4.714 310 HB3 LYS 37 1HB LYS 37 -0.686 15.716 3.366 311 HG2 LYS 37 2HG LYS 37 -2.668 15.868 4.390 312 HG3 LYS 37 1HG LYS 37 -2.995 14.324 3.597 313 HD2 LYS 37 2HD LYS 37 -2.220 13.144 5.606 314 HD3 LYS 37 1HD LYS 37 -1.924 14.691 6.395 315 HE2 LYS 37 2HE LYS 37 -4.123 15.072 6.776 316 HE3 LYS 37 1HE LYS 37 -4.623 14.306 5.273 317 HZ1 LYS 37 3HZ LYS 37 -5.283 13.117 7.354 318 HZ2 LYS 37 1HZ LYS 37 -3.646 12.779 7.618 319 HZ3 LYS 37 2HZ LYS 37 -4.427 12.173 6.243 320 H THR 38 H THR 38 0.834 11.632 2.416 321 HA THR 38 HA THR 38 3.046 13.148 1.306 322 HB THR 38 HB THR 38 4.676 12.007 2.841 323 HG1 THR 38 1HG THR 38 3.800 11.241 4.818 324 HG21 THR 38 3HG2 THR 38 4.602 13.592 4.506 325 HG22 THR 38 1HG2 THR 38 2.839 13.649 4.518 326 HG23 THR 38 2HG2 THR 38 3.735 14.375 3.184 327 H VAL 39 H VAL 39 4.236 11.988 -0.142 328 HA VAL 39 HA VAL 39 3.139 9.662 -1.250 329 HB VAL 39 HB VAL 39 5.316 9.477 -2.496 330 HG11 VAL 39 1HG1 VAL 39 3.363 10.821 -3.264 331 HG12 VAL 39 2HG1 VAL 39 4.917 11.407 -3.856 332 HG13 VAL 39 3HG1 VAL 39 4.110 12.238 -2.527 333 HG21 VAL 39 3HG2 VAL 39 6.009 12.022 -1.034 334 HG22 VAL 39 1HG2 VAL 39 6.979 11.193 -2.252 335 HG23 VAL 39 2HG2 VAL 39 6.713 10.444 -0.677 336 H GLU 40 H GLU 40 5.764 10.117 1.059 337 HA GLU 40 HA GLU 40 6.717 7.468 1.048 338 HB2 GLU 40 2HB GLU 40 6.820 9.604 3.177 339 HB3 GLU 40 1HB GLU 40 7.655 8.063 3.305 340 HG2 GLU 40 2HG GLU 40 8.165 9.542 0.825 341 HG3 GLU 40 1HG GLU 40 8.737 10.325 2.297 342 H GLY 41 H GLY 41 3.942 8.923 2.547 343 HA2 GLY 41 2HA GLY 41 3.550 6.871 4.518 344 HA3 GLY 41 1HA GLY 41 2.388 8.109 4.056 345 H VAL 42 H VAL 42 2.187 7.566 1.335 346 HA VAL 42 HA VAL 42 0.420 5.299 1.412 347 HB VAL 42 HB VAL 42 1.189 7.154 -0.841 348 HG11 VAL 42 1HG1 VAL 42 -1.055 6.147 -1.760 349 HG12 VAL 42 2HG1 VAL 42 -0.599 4.773 -0.753 350 HG13 VAL 42 3HG1 VAL 42 0.481 5.324 -2.030 351 HG21 VAL 42 3HG2 VAL 42 -1.434 7.595 -0.324 352 HG22 VAL 42 1HG2 VAL 42 -0.108 8.540 0.354 353 HG23 VAL 42 2HG2 VAL 42 -0.825 7.227 1.290 354 H TRP 43 H TRP 43 3.411 6.135 -0.314 355 HA TRP 43 HA TRP 43 3.582 3.759 -1.799 356 HB2 TRP 43 2HB TRP 43 5.561 5.871 -0.994 357 HB3 TRP 43 1HB TRP 43 6.134 4.417 -1.805 358 HD1 TRP 43 HD TRP 43 3.992 7.552 -2.436 359 HE1 TRP 43 1HE TRP 43 3.728 7.866 -4.969 360 HE3 TRP 43 3HE TRP 43 6.081 3.158 -4.031 361 HZ2 TRP 43 2HZ TRP 43 4.307 6.449 -7.331 362 HZ3 TRP 43 3HZ TRP 43 6.165 2.714 -6.451 363 HH2 TRP 43 HH TRP 43 5.302 4.327 -8.065 364 H THR 44 H THR 44 4.516 4.509 1.494 365 HA THR 44 HA THR 44 6.120 2.138 1.816 366 HB THR 44 HB THR 44 6.495 4.122 3.253 367 HG1 THR 44 1HG THR 44 6.812 2.952 5.094 368 HG21 THR 44 3HG2 THR 44 4.053 4.686 3.532 369 HG22 THR 44 1HG2 THR 44 5.044 4.764 4.987 370 HG23 THR 44 2HG2 THR 44 3.982 3.381 4.716 371 H LEU 45 H LEU 45 2.851 3.130 2.809 372 HA LEU 45 HA LEU 45 2.104 0.745 4.062 373 HB2 LEU 45 2HB LEU 45 0.733 3.085 2.935 374 HB3 LEU 45 1HB LEU 45 -0.230 1.620 2.911 375 HD11 LEU 45 1HD1 LEU 45 1.358 3.133 6.497 376 HD12 LEU 45 2HD1 LEU 45 0.569 4.351 5.495 377 HD13 LEU 45 3HD1 LEU 45 2.008 3.520 4.904 378 HD21 LEU 45 3HD2 LEU 45 -1.564 2.529 6.020 379 HD22 LEU 45 1HD2 LEU 45 -1.830 2.075 4.337 380 HD23 LEU 45 2HD2 LEU 45 -1.388 3.733 4.743 381 H LYS 46 H LYS 46 2.172 1.705 0.700 382 HA LYS 46 HA LYS 46 0.735 -0.456 -0.393 383 HB2 LYS 46 2HB LYS 46 1.196 1.535 -1.706 384 HB3 LYS 46 1HB LYS 46 2.927 1.260 -1.578 385 HG2 LYS 46 2HG LYS 46 1.892 -1.087 -2.680 386 HG3 LYS 46 1HG LYS 46 1.043 0.231 -3.490 387 HD2 LYS 46 2HD LYS 46 2.920 -0.025 -4.818 388 HD3 LYS 46 1HD LYS 46 3.417 1.266 -3.724 389 HE2 LYS 46 2HE LYS 46 4.227 -0.842 -2.293 390 HE3 LYS 46 1HE LYS 46 4.347 -1.539 -3.907 391 HZ1 LYS 46 3HZ LYS 46 5.701 0.427 -4.533 392 HZ2 LYS 46 1HZ LYS 46 6.427 -0.554 -3.360 393 HZ3 LYS 46 2HZ LYS 46 5.701 0.906 -2.910 394 H ASP 47 H ASP 47 4.137 0.006 0.422 395 HA ASP 47 HA ASP 47 5.162 -2.335 -0.728 396 HB2 ASP 47 2HB ASP 47 6.069 -0.819 1.730 397 HB3 ASP 47 1HB ASP 47 6.998 -2.099 0.954 398 H GLU 48 H GLU 48 3.506 -1.735 2.299 399 HA GLU 48 HA GLU 48 4.032 -4.255 3.496 400 HB2 GLU 48 2HB GLU 48 1.797 -2.270 3.957 401 HB3 GLU 48 1HB GLU 48 2.095 -3.679 4.966 402 HG2 GLU 48 2HG GLU 48 4.512 -2.596 5.100 403 HG3 GLU 48 1HG GLU 48 3.588 -1.131 4.769 404 H ILE 49 H ILE 49 1.630 -3.066 1.257 405 HA ILE 49 HA ILE 49 -0.157 -5.277 1.446 406 HB ILE 49 HB ILE 49 0.194 -3.440 -0.921 407 HG12 ILE 49 2HG1 ILE 49 -0.094 -2.175 1.205 408 HG13 ILE 49 1HG1 ILE 49 -1.435 -1.962 0.090 409 HG21 ILE 49 1HG2 ILE 49 -2.441 -4.509 -0.110 410 HG22 ILE 49 2HG2 ILE 49 -1.294 -5.657 -0.797 411 HG23 ILE 49 3HG2 ILE 49 -1.770 -4.231 -1.717 412 HD11 ILE 49 3HD1 ILE 49 -1.643 -2.577 2.738 413 HD12 ILE 49 1HD1 ILE 49 -1.824 -4.154 1.970 414 HD13 ILE 49 2HD1 ILE 49 -2.900 -2.828 1.527 415 H LYS 50 H LYS 50 2.778 -4.645 -0.316 416 HA LYS 50 HA LYS 50 2.431 -6.750 -2.230 417 HB2 LYS 50 2HB LYS 50 4.150 -4.568 -1.941 418 HB3 LYS 50 1HB LYS 50 5.192 -5.976 -1.784 419 HG2 LYS 50 2HG LYS 50 3.248 -5.680 -4.049 420 HG3 LYS 50 1HG LYS 50 4.879 -5.010 -4.110 421 HD2 LYS 50 2HD LYS 50 5.566 -7.437 -3.393 422 HD3 LYS 50 1HD LYS 50 3.993 -7.859 -4.071 423 HE2 LYS 50 2HE LYS 50 4.980 -6.259 -6.021 424 HE3 LYS 50 1HE LYS 50 6.464 -6.988 -5.409 425 HZ1 LYS 50 3HZ LYS 50 4.933 -8.121 -7.256 426 HZ2 LYS 50 1HZ LYS 50 4.244 -8.806 -5.870 427 HZ3 LYS 50 2HZ LYS 50 5.894 -9.009 -6.183 428 H THR 51 H THR 51 3.966 -6.417 0.913 429 HA THR 51 HA THR 51 5.085 -9.103 0.751 430 HB THR 51 HB THR 51 5.170 -7.429 3.230 431 HG1 THR 51 1HG THR 51 6.982 -6.349 2.349 432 HG21 THR 51 3HG2 THR 51 6.890 -8.698 3.831 433 HG22 THR 51 1HG2 THR 51 7.615 -8.637 2.225 434 HG23 THR 51 2HG2 THR 51 6.335 -9.802 2.571 435 H PHE 52 H PHE 52 2.769 -7.304 2.762 436 HA PHE 52 HA PHE 52 1.116 -7.989 4.173 437 HB2 PHE 52 2HB PHE 52 0.869 -9.439 1.718 438 HB3 PHE 52 1HB PHE 52 0.368 -10.477 3.048 439 HD1 PHE 52 2HD PHE 52 -0.201 -7.177 1.487 440 HD2 PHE 52 1HD PHE 52 -1.718 -10.185 4.078 441 HE1 PHE 52 2HE PHE 52 -2.372 -6.018 1.541 442 HE2 PHE 52 1HE PHE 52 -3.891 -9.034 4.137 443 HZ PHE 52 HZ PHE 52 -4.223 -6.953 2.873 444 H THR 53 H THR 53 3.901 -9.052 4.591 445 HA THR 53 HA THR 53 3.896 -11.661 5.524 446 HB THR 53 HB THR 53 5.508 -9.222 6.205 447 HG1 THR 53 1HG THR 53 6.053 -11.703 4.957 448 HG21 THR 53 3HG2 THR 53 6.093 -11.923 7.390 449 HG22 THR 53 1HG2 THR 53 5.413 -10.568 8.291 450 HG23 THR 53 2HG2 THR 53 7.018 -10.443 7.588 451 H VAL 54 H VAL 54 2.735 -8.722 7.019 452 HA VAL 54 HA VAL 54 2.513 -9.661 9.668 453 HB VAL 54 HB VAL 54 0.614 -7.664 8.455 454 HG11 VAL 54 1HG1 VAL 54 1.819 -7.283 11.115 455 HG12 VAL 54 2HG1 VAL 54 0.713 -8.653 10.957 456 HG13 VAL 54 3HG1 VAL 54 0.160 -7.025 10.569 457 HG21 VAL 54 3HG2 VAL 54 2.470 -6.587 7.745 458 HG22 VAL 54 1HG2 VAL 54 3.529 -7.449 8.849 459 HG23 VAL 54 2HG2 VAL 54 2.566 -6.095 9.436 460 H THR 55 H THR 55 -0.163 -9.138 7.362 461 HA THR 55 HA THR 55 -1.960 -10.777 8.832 462 HB THR 55 HB THR 55 -2.444 -10.249 5.945 463 HG1 THR 55 1HG THR 55 -1.736 -8.271 6.288 464 HG21 THR 55 3HG2 THR 55 -4.019 -10.652 8.331 465 HG22 THR 55 1HG2 THR 55 -4.480 -10.767 6.631 466 HG23 THR 55 2HG2 THR 55 -4.505 -9.204 7.448 467 H GLU 56 H GLU 56 -3.180 -12.582 7.594 468 HA GLU 56 HA GLU 56 -1.318 -14.278 6.093 469 HB2 GLU 56 2HB GLU 56 -2.687 -14.941 8.674 470 HB3 GLU 56 1HB GLU 56 -2.360 -16.219 7.512 471 HG2 GLU 56 2HG GLU 56 -0.204 -16.284 8.032 472 HG3 GLU 56 1HG GLU 56 -0.051 -14.527 8.003 Start of MODEL 6 1 H1 THR 1 1HT THR 1 1.172 22.251 -23.846 2 H2 THR 1 2HT THR 1 0.479 21.160 -22.718 3 H3 THR 1 3HT THR 1 1.254 20.563 -24.127 4 HA THR 1 HA THR 1 3.319 21.600 -23.323 5 HB THR 1 HB THR 1 1.979 21.638 -20.639 6 HG1 THR 1 1HG THR 1 2.031 23.789 -22.487 7 HG21 THR 1 3HG2 THR 1 4.572 22.066 -21.416 8 HG22 THR 1 1HG2 THR 1 3.841 22.593 -19.900 9 HG23 THR 1 2HG2 THR 1 3.923 23.700 -21.270 10 H THR 2 H THR 2 1.258 19.818 -21.018 11 HA THR 2 HA THR 2 1.434 17.742 -20.109 12 HB THR 2 HB THR 2 3.075 16.691 -22.345 13 HG1 THR 2 1HG THR 2 1.397 16.883 -23.807 14 HG21 THR 2 3HG2 THR 2 1.132 15.071 -22.430 15 HG22 THR 2 1HG2 THR 2 0.568 15.836 -20.945 16 HG23 THR 2 2HG2 THR 2 2.139 15.036 -20.983 17 H TYR 3 H TYR 3 3.007 16.061 -19.330 18 HA TYR 3 HA TYR 3 4.876 15.538 -18.145 19 HB2 TYR 3 2HB TYR 3 5.759 16.474 -20.709 20 HB3 TYR 3 1HB TYR 3 6.925 16.969 -19.486 21 HD1 TYR 3 2HD TYR 3 4.861 13.901 -20.070 22 HD2 TYR 3 1HD TYR 3 8.723 15.541 -19.371 23 HE1 TYR 3 2HE TYR 3 5.818 11.636 -20.077 24 HE2 TYR 3 1HE TYR 3 9.691 13.281 -19.377 25 HH TYR 3 HH TYR 3 7.931 10.531 -20.416 26 H LYS 4 H LYS 4 3.418 17.621 -17.105 27 HA LYS 4 HA LYS 4 5.242 19.772 -16.416 28 HB2 LYS 4 2HB LYS 4 3.351 20.740 -15.232 29 HB3 LYS 4 1HB LYS 4 2.874 20.264 -16.856 30 HG2 LYS 4 2HG LYS 4 2.146 18.052 -15.620 31 HG3 LYS 4 1HG LYS 4 2.067 19.138 -14.232 32 HD2 LYS 4 2HD LYS 4 0.777 20.634 -16.052 33 HD3 LYS 4 1HD LYS 4 0.381 19.024 -16.657 34 HE2 LYS 4 2HE LYS 4 -0.981 18.577 -14.928 35 HE3 LYS 4 1HE LYS 4 0.105 19.323 -13.756 36 HZ1 LYS 4 3HZ LYS 4 -0.941 21.295 -13.908 37 HZ2 LYS 4 1HZ LYS 4 -2.245 20.351 -14.432 38 HZ3 LYS 4 2HZ LYS 4 -1.264 21.141 -15.562 39 H LEU 5 H LEU 5 5.150 16.729 -15.410 40 HA LEU 5 HA LEU 5 5.554 15.586 -13.503 41 HB2 LEU 5 2HB LEU 5 7.338 17.951 -13.489 42 HB3 LEU 5 1HB LEU 5 7.325 16.910 -12.072 43 HG LEU 5 HG LEU 5 7.528 15.067 -14.036 44 HD11 LEU 5 1HD1 LEU 5 8.400 17.619 -15.157 45 HD12 LEU 5 2HD1 LEU 5 7.909 16.123 -15.951 46 HD13 LEU 5 3HD1 LEU 5 9.553 16.296 -15.337 47 HD21 LEU 5 3HD2 LEU 5 9.512 14.599 -13.067 48 HD22 LEU 5 1HD2 LEU 5 9.020 15.846 -11.922 49 HD23 LEU 5 2HD2 LEU 5 10.109 16.248 -13.248 50 H ILE 6 H ILE 6 3.136 16.748 -13.190 51 HA ILE 6 HA ILE 6 2.789 18.484 -11.032 52 HB ILE 6 HB ILE 6 1.002 17.925 -12.624 53 HG12 ILE 6 2HG1 ILE 6 -0.818 17.513 -10.844 54 HG13 ILE 6 1HG1 ILE 6 0.508 17.504 -9.687 55 HG21 ILE 6 1HG2 ILE 6 0.279 15.431 -11.232 56 HG22 ILE 6 2HG2 ILE 6 1.691 15.347 -12.287 57 HG23 ILE 6 3HG2 ILE 6 0.135 15.868 -12.935 58 HD11 ILE 6 3HD1 ILE 6 0.897 19.791 -11.227 59 HD12 ILE 6 1HD1 ILE 6 0.307 19.701 -9.568 60 HD13 ILE 6 2HD1 ILE 6 -0.836 19.722 -10.911 61 H LEU 7 H LEU 7 3.123 18.245 -8.927 62 HA LEU 7 HA LEU 7 3.737 15.619 -7.854 63 HB2 LEU 7 2HB LEU 7 3.713 18.254 -6.407 64 HB3 LEU 7 1HB LEU 7 4.493 16.776 -5.890 65 HG LEU 7 HG LEU 7 5.378 17.875 -8.491 66 HD11 LEU 7 1HD1 LEU 7 5.476 19.956 -7.572 67 HD12 LEU 7 2HD1 LEU 7 7.013 19.307 -7.001 68 HD13 LEU 7 3HD1 LEU 7 5.616 19.347 -5.922 69 HD21 LEU 7 3HD2 LEU 7 7.204 17.128 -6.280 70 HD22 LEU 7 1HD2 LEU 7 7.307 16.780 -8.007 71 HD23 LEU 7 2HD2 LEU 7 6.215 15.846 -6.983 72 H ASN 8 H ASN 8 2.258 14.367 -6.939 73 HA ASN 8 HA ASN 8 0.231 15.465 -5.205 74 HB2 ASN 8 2HB ASN 8 -0.408 14.416 -7.928 75 HB3 ASN 8 1HB ASN 8 -1.522 14.048 -6.606 76 HD21 ASN 8 1HD2 ASN 8 -1.962 16.070 -5.196 77 HD22 ASN 8 2HD2 ASN 8 -2.376 17.497 -6.077 78 H LEU 9 H LEU 9 -1.061 13.758 -4.169 79 HA LEU 9 HA LEU 9 0.628 11.538 -3.470 80 HB2 LEU 9 2HB LEU 9 -1.333 10.970 -1.954 81 HB3 LEU 9 1HB LEU 9 -0.467 12.461 -1.640 82 HG LEU 9 HG LEU 9 -2.824 12.704 -3.402 83 HD11 LEU 9 1HD1 LEU 9 -2.951 11.538 -0.708 84 HD12 LEU 9 2HD1 LEU 9 -4.093 11.437 -2.047 85 HD13 LEU 9 3HD1 LEU 9 -4.066 12.869 -1.019 86 HD21 LEU 9 3HD2 LEU 9 -2.189 14.799 -2.914 87 HD22 LEU 9 1HD2 LEU 9 -1.275 14.294 -1.494 88 HD23 LEU 9 2HD2 LEU 9 -3.019 14.533 -1.381 89 H LYS 10 H LYS 10 -2.235 12.057 -5.389 90 HA LYS 10 HA LYS 10 -3.489 9.710 -5.644 91 HB2 LYS 10 2HB LYS 10 -2.602 11.545 -7.865 92 HB3 LYS 10 1HB LYS 10 -3.721 10.211 -8.110 93 HG2 LYS 10 2HG LYS 10 -5.401 11.511 -7.500 94 HG3 LYS 10 1HG LYS 10 -4.666 11.718 -5.909 95 HD2 LYS 10 2HD LYS 10 -3.654 13.713 -6.490 96 HD3 LYS 10 1HD LYS 10 -3.679 13.341 -8.215 97 HE2 LYS 10 2HE LYS 10 -5.753 14.170 -8.493 98 HE3 LYS 10 1HE LYS 10 -6.322 13.535 -6.950 99 HZ1 LYS 10 3HZ LYS 10 -4.778 15.412 -6.023 100 HZ2 LYS 10 1HZ LYS 10 -6.353 15.762 -6.532 101 HZ3 LYS 10 2HZ LYS 10 -5.042 16.102 -7.545 102 H GLN 11 H GLN 11 -0.462 10.451 -7.397 103 HA GLN 11 HA GLN 11 -0.102 8.137 -8.804 104 HB2 GLN 11 2HB GLN 11 2.410 8.489 -8.300 105 HB3 GLN 11 1HB GLN 11 1.537 9.761 -9.146 106 HG2 GLN 11 2HG GLN 11 1.670 11.210 -7.405 107 HG3 GLN 11 1HG GLN 11 1.665 9.928 -6.192 108 HE21 GLN 11 1HE2 GLN 11 3.723 8.378 -6.789 109 HE22 GLN 11 2HE2 GLN 11 5.212 9.253 -6.758 110 H ALA 12 H ALA 12 0.379 8.651 -5.373 111 HA ALA 12 HA ALA 12 1.456 6.006 -4.926 112 HB1 ALA 12 1HB ALA 12 1.917 6.692 -2.803 113 HB2 ALA 12 2HB ALA 12 0.446 7.658 -2.677 114 HB3 ALA 12 3HB ALA 12 1.827 8.268 -3.591 115 H LYS 13 H LYS 13 -1.628 7.664 -4.662 116 HA LYS 13 HA LYS 13 -2.986 5.730 -3.150 117 HB2 LYS 13 2HB LYS 13 -4.406 7.465 -3.222 118 HB3 LYS 13 1HB LYS 13 -3.644 8.126 -4.658 119 HG2 LYS 13 2HG LYS 13 -5.467 5.800 -4.991 120 HG3 LYS 13 1HG LYS 13 -6.171 7.376 -4.626 121 HD2 LYS 13 2HD LYS 13 -4.188 7.761 -6.609 122 HD3 LYS 13 1HD LYS 13 -5.187 6.396 -7.113 123 HE2 LYS 13 2HE LYS 13 -5.953 8.691 -7.869 124 HE3 LYS 13 1HE LYS 13 -7.159 7.690 -7.062 125 HZ1 LYS 13 3HZ LYS 13 -7.259 9.075 -5.306 126 HZ2 LYS 13 1HZ LYS 13 -6.679 10.219 -6.410 127 HZ3 LYS 13 2HZ LYS 13 -5.612 9.452 -5.345 128 H GLU 14 H GLU 14 -2.262 6.037 -6.566 129 HA GLU 14 HA GLU 14 -3.865 3.791 -7.376 130 HB2 GLU 14 2HB GLU 14 -1.547 4.916 -8.941 131 HB3 GLU 14 1HB GLU 14 -2.989 4.119 -9.548 132 HG2 GLU 14 2HG GLU 14 -3.416 6.625 -8.057 133 HG3 GLU 14 1HG GLU 14 -2.614 6.763 -9.619 134 H GLU 15 H GLU 15 -0.587 4.373 -6.337 135 HA GLU 15 HA GLU 15 0.724 2.080 -7.172 136 HB2 GLU 15 2HB GLU 15 1.039 4.057 -5.014 137 HB3 GLU 15 1HB GLU 15 1.775 2.496 -4.679 138 HG2 GLU 15 2HG GLU 15 2.308 4.258 -7.056 139 HG3 GLU 15 1HG GLU 15 3.370 3.994 -5.671 140 H ALA 16 H ALA 16 -1.134 2.602 -4.187 141 HA ALA 16 HA ALA 16 -0.848 -0.083 -3.274 142 HB1 ALA 16 1HB ALA 16 -2.832 2.026 -2.433 143 HB2 ALA 16 2HB ALA 16 -1.229 1.783 -1.737 144 HB3 ALA 16 3HB ALA 16 -2.465 0.537 -1.561 145 H ILE 17 H ILE 17 -3.464 1.721 -4.861 146 HA ILE 17 HA ILE 17 -5.422 -0.246 -4.831 147 HB ILE 17 HB ILE 17 -4.868 2.120 -6.544 148 HG12 ILE 17 2HG1 ILE 17 -7.584 1.527 -5.582 149 HG13 ILE 17 1HG1 ILE 17 -6.369 1.648 -4.314 150 HG21 ILE 17 1HG2 ILE 17 -6.848 1.633 -7.971 151 HG22 ILE 17 2HG2 ILE 17 -6.847 -0.013 -7.342 152 HG23 ILE 17 3HG2 ILE 17 -5.472 0.574 -8.278 153 HD11 ILE 17 3HD1 ILE 17 -7.739 3.738 -5.285 154 HD12 ILE 17 1HD1 ILE 17 -6.321 3.785 -6.332 155 HD13 ILE 17 2HD1 ILE 17 -6.127 3.864 -4.580 156 H LYS 18 H LYS 18 -2.815 0.292 -7.180 157 HA LYS 18 HA LYS 18 -3.575 -1.732 -8.987 158 HB2 LYS 18 2HB LYS 18 -1.648 0.209 -8.948 159 HB3 LYS 18 1HB LYS 18 -0.685 -1.246 -8.732 160 HG2 LYS 18 2HG LYS 18 -1.874 -2.181 -10.754 161 HG3 LYS 18 1HG LYS 18 -2.506 -0.554 -11.016 162 HD2 LYS 18 2HD LYS 18 -0.452 0.302 -11.572 163 HD3 LYS 18 1HD LYS 18 0.425 -0.892 -10.612 164 HE2 LYS 18 2HE LYS 18 -0.364 -2.610 -12.310 165 HE3 LYS 18 1HE LYS 18 -0.855 -1.243 -13.311 166 HZ1 LYS 18 3HZ LYS 18 1.232 -1.479 -14.089 167 HZ2 LYS 18 1HZ LYS 18 1.812 -2.217 -12.681 168 HZ3 LYS 18 2HZ LYS 18 1.633 -0.537 -12.742 169 H GLU 19 H GLU 19 -1.268 -1.754 -6.285 170 HA GLU 19 HA GLU 19 -0.519 -4.469 -6.591 171 HB2 GLU 19 2HB GLU 19 -0.385 -2.790 -4.085 172 HB3 GLU 19 1HB GLU 19 0.586 -4.209 -4.462 173 HG2 GLU 19 2HG GLU 19 0.695 -1.880 -6.307 174 HG3 GLU 19 1HG GLU 19 1.527 -1.773 -4.756 175 H LEU 20 H LEU 20 -2.979 -2.826 -4.694 176 HA LEU 20 HA LEU 20 -3.718 -4.999 -3.064 177 HB2 LEU 20 2HB LEU 20 -4.756 -2.342 -3.719 178 HB3 LEU 20 1HB LEU 20 -6.016 -3.501 -3.348 179 HG LEU 20 HG LEU 20 -4.692 -4.008 -1.220 180 HD11 LEU 20 1HD1 LEU 20 -3.009 -2.698 -0.517 181 HD12 LEU 20 2HD1 LEU 20 -3.559 -1.295 -1.435 182 HD13 LEU 20 3HD1 LEU 20 -2.719 -2.614 -2.256 183 HD21 LEU 20 3HD2 LEU 20 -5.921 -2.456 -0.035 184 HD22 LEU 20 1HD2 LEU 20 -6.805 -2.545 -1.558 185 HD23 LEU 20 2HD2 LEU 20 -5.704 -1.202 -1.254 186 H VAL 21 H VAL 21 -5.011 -3.858 -6.172 187 HA VAL 21 HA VAL 21 -7.078 -5.789 -6.329 188 HB VAL 21 HB VAL 21 -5.735 -4.391 -8.644 189 HG11 VAL 21 1HG1 VAL 21 -7.579 -6.381 -8.720 190 HG12 VAL 21 2HG1 VAL 21 -7.395 -5.141 -9.959 191 HG13 VAL 21 3HG1 VAL 21 -8.615 -4.953 -8.699 192 HG21 VAL 21 3HG2 VAL 21 -6.891 -3.119 -6.522 193 HG22 VAL 21 1HG2 VAL 21 -8.250 -3.285 -7.633 194 HG23 VAL 21 2HG2 VAL 21 -6.779 -2.466 -8.156 195 H ASP 22 H ASP 22 -3.709 -5.805 -7.223 196 HA ASP 22 HA ASP 22 -3.817 -8.102 -8.898 197 HB2 ASP 22 2HB ASP 22 -2.013 -6.273 -8.808 198 HB3 ASP 22 1HB ASP 22 -1.359 -7.165 -7.439 199 H ALA 23 H ALA 23 -3.621 -7.682 -5.448 200 HA ALA 23 HA ALA 23 -3.506 -10.605 -5.170 201 HB1 ALA 23 1HB ALA 23 -1.830 -8.846 -3.398 202 HB2 ALA 23 2HB ALA 23 -1.205 -9.586 -4.875 203 HB3 ALA 23 3HB ALA 23 -1.786 -10.602 -3.558 204 H GLY 24 H GLY 24 -4.552 -11.464 -3.374 205 HA2 GLY 24 2HA GLY 24 -6.798 -10.221 -2.374 206 HA3 GLY 24 1HA GLY 24 -5.956 -11.531 -1.543 207 H THR 25 H THR 25 -6.940 -8.357 -1.321 208 HA THR 25 HA THR 25 -5.121 -7.877 0.941 209 HB THR 25 HB THR 25 -4.406 -6.651 -1.088 210 HG1 THR 25 1HG THR 25 -3.874 -5.619 0.764 211 HG21 THR 25 3HG2 THR 25 -7.089 -6.230 -1.521 212 HG22 THR 25 1HG2 THR 25 -5.758 -5.442 -2.364 213 HG23 THR 25 2HG2 THR 25 -6.506 -4.659 -0.973 214 H ALA 26 H ALA 26 -6.129 -5.295 1.483 215 HA ALA 26 HA ALA 26 -8.960 -5.702 2.101 216 HB1 ALA 26 1HB ALA 26 -8.718 -5.517 4.341 217 HB2 ALA 26 2HB ALA 26 -7.400 -4.349 4.198 218 HB3 ALA 26 3HB ALA 26 -7.076 -6.075 4.015 219 H GLU 27 H GLU 27 -9.872 -4.165 0.935 220 HA GLU 27 HA GLU 27 -9.008 -1.920 -0.227 221 HB2 GLU 27 2HB GLU 27 -11.578 -1.623 1.272 222 HB3 GLU 27 1HB GLU 27 -11.192 -1.160 -0.374 223 HG2 GLU 27 2HG GLU 27 -12.519 -2.923 -0.833 224 HG3 GLU 27 1HG GLU 27 -11.004 -3.804 -0.651 225 H LYS 28 H LYS 28 -9.634 -2.167 3.218 226 HA LYS 28 HA LYS 28 -9.666 0.470 3.986 227 HB2 LYS 28 2HB LYS 28 -8.135 -1.625 5.519 228 HB3 LYS 28 1HB LYS 28 -8.963 -0.210 6.149 229 HG2 LYS 28 2HG LYS 28 -10.296 -2.596 4.883 230 HG3 LYS 28 1HG LYS 28 -10.188 -2.263 6.611 231 HD2 LYS 28 2HD LYS 28 -11.335 -0.157 4.862 232 HD3 LYS 28 1HD LYS 28 -12.316 -1.584 5.182 233 HE2 LYS 28 2HE LYS 28 -11.652 -1.135 7.669 234 HE3 LYS 28 1HE LYS 28 -11.309 0.495 7.076 235 HZ1 LYS 28 3HZ LYS 28 -13.485 0.711 7.651 236 HZ2 LYS 28 1HZ LYS 28 -13.874 -0.901 7.311 237 HZ3 LYS 28 2HZ LYS 28 -13.688 0.213 6.049 238 H TYR 29 H TYR 29 -6.961 -1.305 2.727 239 HA TYR 29 HA TYR 29 -4.944 0.416 3.787 240 HB2 TYR 29 2HB TYR 29 -4.681 -1.401 1.379 241 HB3 TYR 29 1HB TYR 29 -3.378 -0.726 2.359 242 HD1 TYR 29 2HD TYR 29 -3.734 -1.259 5.001 243 HD2 TYR 29 1HD TYR 29 -5.151 -3.623 1.765 244 HE1 TYR 29 2HE TYR 29 -3.792 -3.221 6.468 245 HE2 TYR 29 1HE TYR 29 -5.218 -5.594 3.225 246 HH TYR 29 HH TYR 29 -5.324 -6.157 5.561 247 H PHE 30 H PHE 30 -6.250 0.139 0.442 248 HA PHE 30 HA PHE 30 -4.767 2.330 -0.503 249 HB2 PHE 30 2HB PHE 30 -6.151 2.314 -2.467 250 HB3 PHE 30 1HB PHE 30 -5.821 0.656 -1.994 251 HD1 PHE 30 2HD PHE 30 -8.429 3.261 -1.294 252 HD2 PHE 30 1HD PHE 30 -7.540 -0.796 -2.223 253 HE1 PHE 30 2HE PHE 30 -10.832 2.755 -1.359 254 HE2 PHE 30 1HE PHE 30 -9.946 -1.307 -2.295 255 HZ PHE 30 HZ PHE 30 -11.595 0.469 -1.862 256 H LYS 31 H LYS 31 -7.654 2.198 1.375 257 HA LYS 31 HA LYS 31 -8.468 4.900 0.747 258 HB2 LYS 31 2HB LYS 31 -9.650 2.649 2.019 259 HB3 LYS 31 1HB LYS 31 -9.633 3.963 3.188 260 HG2 LYS 31 2HG LYS 31 -10.650 5.394 1.342 261 HG3 LYS 31 1HG LYS 31 -10.950 3.874 0.496 262 HD2 LYS 31 2HD LYS 31 -11.812 3.631 3.216 263 HD3 LYS 31 1HD LYS 31 -12.513 5.089 2.511 264 HE2 LYS 31 2HE LYS 31 -13.314 3.743 0.603 265 HE3 LYS 31 1HE LYS 31 -12.674 2.296 1.382 266 HZ1 LYS 31 3HZ LYS 31 -15.017 3.903 2.082 267 HZ2 LYS 31 1HZ LYS 31 -14.165 3.163 3.343 268 HZ3 LYS 31 2HZ LYS 31 -14.817 2.224 2.096 269 H LEU 32 H LEU 32 -6.663 3.220 3.219 270 HA LEU 32 HA LEU 32 -6.494 5.401 5.041 271 HB2 LEU 32 2HB LEU 32 -5.569 2.670 4.855 272 HB3 LEU 32 1HB LEU 32 -4.289 3.720 5.457 273 HG LEU 32 HG LEU 32 -6.970 3.991 6.714 274 HD11 LEU 32 1HD1 LEU 32 -6.252 2.119 8.297 275 HD12 LEU 32 2HD1 LEU 32 -5.193 1.591 6.986 276 HD13 LEU 32 3HD1 LEU 32 -6.938 1.659 6.737 277 HD21 LEU 32 3HD2 LEU 32 -5.530 5.394 7.764 278 HD22 LEU 32 1HD2 LEU 32 -4.117 4.404 7.393 279 HD23 LEU 32 2HD2 LEU 32 -5.198 3.942 8.704 280 H ILE 33 H ILE 33 -4.530 4.239 2.369 281 HA ILE 33 HA ILE 33 -2.368 6.049 2.904 282 HB ILE 33 HB ILE 33 -1.567 5.342 0.622 283 HG12 ILE 33 2HG1 ILE 33 -3.092 2.941 0.440 284 HG13 ILE 33 1HG1 ILE 33 -4.217 4.292 0.481 285 HG21 ILE 33 1HG2 ILE 33 -1.201 4.233 2.998 286 HG22 ILE 33 2HG2 ILE 33 -0.531 3.530 1.526 287 HG23 ILE 33 3HG2 ILE 33 -2.019 2.882 2.214 288 HD11 ILE 33 3HD1 ILE 33 -2.077 3.689 -1.509 289 HD12 ILE 33 1HD1 ILE 33 -2.720 5.319 -1.328 290 HD13 ILE 33 2HD1 ILE 33 -3.794 3.993 -1.773 291 H ALA 34 H ALA 34 -5.014 5.927 0.533 292 HA ALA 34 HA ALA 34 -4.326 8.167 -0.966 293 HB1 ALA 34 1HB ALA 34 -6.198 6.442 -1.348 294 HB2 ALA 34 2HB ALA 34 -6.487 8.112 -1.839 295 HB3 ALA 34 3HB ALA 34 -7.181 7.501 -0.336 296 H ASN 35 H ASN 35 -5.643 7.911 2.222 297 HA ASN 35 HA ASN 35 -6.579 10.626 2.362 298 HB2 ASN 35 2HB ASN 35 -7.717 9.034 3.730 299 HB3 ASN 35 1HB ASN 35 -6.205 8.455 4.433 300 HD21 ASN 35 1HD2 ASN 35 -8.859 10.285 4.992 301 HD22 ASN 35 2HD2 ASN 35 -8.251 11.315 6.231 302 H ALA 36 H ALA 36 -3.586 8.975 2.881 303 HA ALA 36 HA ALA 36 -2.345 10.750 4.680 304 HB1 ALA 36 1HB ALA 36 -1.191 8.934 2.574 305 HB2 ALA 36 2HB ALA 36 -1.353 8.620 4.302 306 HB3 ALA 36 3HB ALA 36 -0.214 9.839 3.731 307 H LYS 37 H LYS 37 -1.407 12.689 4.427 308 HA LYS 37 HA LYS 37 -1.816 14.121 1.981 309 HB2 LYS 37 2HB LYS 37 -1.557 14.831 4.628 310 HB3 LYS 37 1HB LYS 37 -0.021 15.364 3.942 311 HG2 LYS 37 2HG LYS 37 -1.138 16.756 2.354 312 HG3 LYS 37 1HG LYS 37 -2.712 16.098 2.809 313 HD2 LYS 37 2HD LYS 37 -2.222 16.983 5.144 314 HD3 LYS 37 1HD LYS 37 -0.891 17.887 4.413 315 HE2 LYS 37 2HE LYS 37 -2.547 18.881 2.828 316 HE3 LYS 37 1HE LYS 37 -3.827 18.108 3.763 317 HZ1 LYS 37 3HZ LYS 37 -2.793 19.327 5.738 318 HZ2 LYS 37 1HZ LYS 37 -3.697 20.242 4.637 319 HZ3 LYS 37 2HZ LYS 37 -2.007 20.282 4.584 320 H THR 38 H THR 38 0.806 12.364 3.410 321 HA THR 38 HA THR 38 2.672 13.439 1.415 322 HB THR 38 HB THR 38 4.407 12.231 2.801 323 HG1 THR 38 1HG THR 38 2.307 12.070 4.694 324 HG21 THR 38 3HG2 THR 38 4.212 14.585 3.123 325 HG22 THR 38 1HG2 THR 38 4.356 13.819 4.704 326 HG23 THR 38 2HG2 THR 38 2.783 14.376 4.132 327 H VAL 39 H VAL 39 3.592 12.163 -0.110 328 HA VAL 39 HA VAL 39 2.261 9.795 -0.881 329 HB VAL 39 HB VAL 39 4.037 9.568 -2.586 330 HG11 VAL 39 1HG1 VAL 39 2.390 11.956 -2.172 331 HG12 VAL 39 2HG1 VAL 39 2.514 10.888 -3.571 332 HG13 VAL 39 3HG1 VAL 39 3.706 12.165 -3.327 333 HG21 VAL 39 3HG2 VAL 39 5.343 11.594 -0.857 334 HG22 VAL 39 1HG2 VAL 39 5.566 11.742 -2.600 335 HG23 VAL 39 2HG2 VAL 39 6.048 10.261 -1.772 336 H GLU 40 H GLU 40 5.350 10.381 0.741 337 HA GLU 40 HA GLU 40 6.461 7.858 0.670 338 HB2 GLU 40 2HB GLU 40 6.530 9.700 3.062 339 HB3 GLU 40 1HB GLU 40 7.713 8.469 2.640 340 HG2 GLU 40 2HG GLU 40 8.812 9.855 1.303 341 HG3 GLU 40 1HG GLU 40 7.333 10.369 0.494 342 H GLY 41 H GLY 41 3.723 8.968 2.485 343 HA2 GLY 41 2HA GLY 41 3.704 6.781 4.355 344 HA3 GLY 41 1HA GLY 41 2.415 7.954 4.101 345 H VAL 42 H VAL 42 2.129 7.544 1.313 346 HA VAL 42 HA VAL 42 0.366 5.303 1.347 347 HB VAL 42 HB VAL 42 1.257 7.103 -0.904 348 HG11 VAL 42 1HG1 VAL 42 0.537 5.343 -2.146 349 HG12 VAL 42 2HG1 VAL 42 -1.021 6.108 -1.839 350 HG13 VAL 42 3HG1 VAL 42 -0.511 4.724 -0.872 351 HG21 VAL 42 3HG2 VAL 42 -1.501 7.341 -0.234 352 HG22 VAL 42 1HG2 VAL 42 -0.227 8.556 -0.129 353 HG23 VAL 42 2HG2 VAL 42 -0.545 7.490 1.240 354 H TRP 43 H TRP 43 3.421 6.026 -0.326 355 HA TRP 43 HA TRP 43 3.567 3.598 -1.738 356 HB2 TRP 43 2HB TRP 43 5.644 5.619 -0.893 357 HB3 TRP 43 1HB TRP 43 6.111 4.161 -1.764 358 HD1 TRP 43 HD TRP 43 4.090 7.409 -2.244 359 HE1 TRP 43 1HE TRP 43 3.866 7.862 -4.761 360 HE3 TRP 43 3HE TRP 43 6.100 3.059 -4.040 361 HZ2 TRP 43 2HZ TRP 43 4.449 6.556 -7.189 362 HZ3 TRP 43 3HZ TRP 43 6.213 2.739 -6.479 363 HH2 TRP 43 HH TRP 43 5.408 4.454 -8.017 364 H THR 44 H THR 44 4.577 4.508 1.504 365 HA THR 44 HA THR 44 6.116 2.209 2.076 366 HB THR 44 HB THR 44 5.487 2.816 4.506 367 HG1 THR 44 1HG THR 44 4.585 5.213 3.324 368 HG21 THR 44 3HG2 THR 44 7.584 3.563 3.927 369 HG22 THR 44 1HG2 THR 44 6.750 5.065 4.327 370 HG23 THR 44 2HG2 THR 44 6.975 4.603 2.639 371 H LEU 45 H LEU 45 2.746 3.020 2.923 372 HA LEU 45 HA LEU 45 2.048 0.599 4.091 373 HB2 LEU 45 2HB LEU 45 0.736 2.943 3.452 374 HB3 LEU 45 1HB LEU 45 -0.083 1.754 2.457 375 HD11 LEU 45 1HD1 LEU 45 -0.712 3.305 5.570 376 HD12 LEU 45 2HD1 LEU 45 0.919 2.672 5.793 377 HD13 LEU 45 3HD1 LEU 45 -0.439 1.929 6.638 378 HD21 LEU 45 3HD2 LEU 45 -2.302 0.661 4.818 379 HD22 LEU 45 1HD2 LEU 45 -1.901 1.068 3.149 380 HD23 LEU 45 2HD2 LEU 45 -2.265 2.349 4.307 381 H LYS 46 H LYS 46 2.152 1.550 0.705 382 HA LYS 46 HA LYS 46 0.851 -0.620 -0.454 383 HB2 LYS 46 2HB LYS 46 1.523 1.353 -1.731 384 HB3 LYS 46 1HB LYS 46 3.217 0.950 -1.497 385 HG2 LYS 46 2HG LYS 46 1.456 -1.061 -2.793 386 HG3 LYS 46 1HG LYS 46 1.952 0.355 -3.722 387 HD2 LYS 46 2HD LYS 46 4.132 -0.929 -2.246 388 HD3 LYS 46 1HD LYS 46 3.394 -1.957 -3.475 389 HE2 LYS 46 2HE LYS 46 3.981 -0.535 -5.204 390 HE3 LYS 46 1HE LYS 46 4.133 0.862 -4.138 391 HZ1 LYS 46 3HZ LYS 46 6.041 -0.718 -3.167 392 HZ2 LYS 46 1HZ LYS 46 6.312 0.431 -4.379 393 HZ3 LYS 46 2HZ LYS 46 6.076 -1.193 -4.789 394 H ASP 47 H ASP 47 4.260 -0.226 0.442 395 HA ASP 47 HA ASP 47 5.217 -2.677 -0.490 396 HB2 ASP 47 2HB ASP 47 6.678 -0.854 0.318 397 HB3 ASP 47 1HB ASP 47 6.118 -1.145 1.963 398 H GLU 48 H GLU 48 3.469 -1.817 2.416 399 HA GLU 48 HA GLU 48 3.836 -4.292 3.772 400 HB2 GLU 48 2HB GLU 48 1.597 -2.287 4.104 401 HB3 GLU 48 1HB GLU 48 2.060 -3.535 5.252 402 HG2 GLU 48 2HG GLU 48 4.399 -2.146 4.880 403 HG3 GLU 48 1HG GLU 48 3.170 -0.884 4.820 404 H ILE 49 H ILE 49 1.756 -3.220 1.231 405 HA ILE 49 HA ILE 49 -0.255 -5.242 1.562 406 HB ILE 49 HB ILE 49 0.340 -3.724 -0.974 407 HG12 ILE 49 2HG1 ILE 49 0.150 -2.125 0.876 408 HG13 ILE 49 1HG1 ILE 49 -1.242 -2.017 -0.192 409 HG21 ILE 49 1HG2 ILE 49 -2.363 -4.551 -0.013 410 HG22 ILE 49 2HG2 ILE 49 -1.304 -5.734 -0.781 411 HG23 ILE 49 3HG2 ILE 49 -1.788 -4.282 -1.659 412 HD11 ILE 49 3HD1 ILE 49 -2.666 -2.601 1.423 413 HD12 ILE 49 1HD1 ILE 49 -1.349 -2.178 2.516 414 HD13 ILE 49 2HD1 ILE 49 -1.600 -3.859 2.046 415 H LYS 50 H LYS 50 2.801 -4.972 -0.087 416 HA LYS 50 HA LYS 50 2.400 -7.274 -1.762 417 HB2 LYS 50 2HB LYS 50 4.248 -5.147 -1.634 418 HB3 LYS 50 1HB LYS 50 5.181 -6.616 -1.389 419 HG2 LYS 50 2HG LYS 50 3.234 -6.341 -3.653 420 HG3 LYS 50 1HG LYS 50 4.901 -5.776 -3.775 421 HD2 LYS 50 2HD LYS 50 5.535 -8.143 -2.981 422 HD3 LYS 50 1HD LYS 50 3.880 -8.574 -3.420 423 HE2 LYS 50 2HE LYS 50 4.231 -8.134 -5.677 424 HE3 LYS 50 1HE LYS 50 5.639 -7.121 -5.358 425 HZ1 LYS 50 3HZ LYS 50 5.852 -9.903 -4.544 426 HZ2 LYS 50 1HZ LYS 50 7.003 -8.893 -5.262 427 HZ3 LYS 50 2HZ LYS 50 5.809 -9.624 -6.211 428 H THR 51 H THR 51 3.919 -6.595 1.337 429 HA THR 51 HA THR 51 4.864 -9.344 1.570 430 HB THR 51 HB THR 51 5.095 -7.444 3.843 431 HG1 THR 51 1HG THR 51 6.082 -5.990 2.728 432 HG21 THR 51 3HG2 THR 51 6.583 -9.704 2.739 433 HG22 THR 51 1HG2 THR 51 6.414 -9.149 4.405 434 HG23 THR 51 2HG2 THR 51 7.582 -8.370 3.330 435 H PHE 52 H PHE 52 2.695 -7.106 3.260 436 HA PHE 52 HA PHE 52 0.891 -7.434 4.580 437 HB2 PHE 52 2HB PHE 52 0.876 -9.633 2.703 438 HB3 PHE 52 1HB PHE 52 0.184 -10.116 4.240 439 HD1 PHE 52 1HD PHE 52 0.058 -7.113 2.041 440 HD2 PHE 52 2HD PHE 52 -2.097 -9.950 4.354 441 HE1 PHE 52 1HE PHE 52 -2.053 -6.004 1.424 442 HE2 PHE 52 2HE PHE 52 -4.210 -8.850 3.744 443 HZ PHE 52 HZ PHE 52 -4.186 -6.873 2.273 444 H THR 53 H THR 53 3.720 -8.408 5.319 445 HA THR 53 HA THR 53 4.774 -9.288 7.118 446 HB THR 53 HB THR 53 2.055 -8.601 8.201 447 HG1 THR 53 1HG THR 53 3.168 -6.978 9.150 448 HG21 THR 53 3HG2 THR 53 2.794 -10.548 9.522 449 HG22 THR 53 1HG2 THR 53 2.700 -9.054 10.453 450 HG23 THR 53 2HG2 THR 53 4.267 -9.671 9.934 451 H VAL 54 H VAL 54 4.883 -11.186 8.584 452 HA VAL 54 HA VAL 54 3.046 -13.353 8.137 453 HB VAL 54 HB VAL 54 5.134 -14.834 7.465 454 HG11 VAL 54 1HG1 VAL 54 4.332 -14.853 5.232 455 HG12 VAL 54 2HG1 VAL 54 3.726 -13.202 5.363 456 HG13 VAL 54 3HG1 VAL 54 2.947 -14.502 6.270 457 HG21 VAL 54 3HG2 VAL 54 5.823 -12.084 6.450 458 HG22 VAL 54 1HG2 VAL 54 6.427 -13.555 5.689 459 HG23 VAL 54 2HG2 VAL 54 6.832 -13.197 7.361 460 H THR 55 H THR 55 6.382 -12.683 9.179 461 HA THR 55 HA THR 55 5.782 -13.488 11.872 462 HB THR 55 HB THR 55 7.707 -15.158 10.250 463 HG1 THR 55 1HG THR 55 6.216 -16.762 10.442 464 HG21 THR 55 3HG2 THR 55 8.307 -16.312 12.112 465 HG22 THR 55 1HG2 THR 55 6.814 -15.931 12.974 466 HG23 THR 55 2HG2 THR 55 8.083 -14.714 12.820 467 H GLU 56 H GLU 56 8.350 -12.852 9.515 468 HA GLU 56 HA GLU 56 10.311 -12.020 11.330 469 HB2 GLU 56 2HB GLU 56 9.858 -11.799 8.427 470 HB3 GLU 56 1HB GLU 56 10.900 -10.558 9.115 471 HG2 GLU 56 2HG GLU 56 12.137 -12.502 8.263 472 HG3 GLU 56 1HG GLU 56 12.403 -12.214 9.980 Start of MODEL 7 1 H1 THR 1 1HT THR 1 6.872 16.975 -18.218 2 H2 THR 1 2HT THR 1 8.348 17.847 -18.138 3 H3 THR 1 3HT THR 1 7.450 17.541 -16.707 4 HA THR 1 HA THR 1 7.750 15.135 -17.196 5 HB THR 1 HB THR 1 10.074 16.099 -18.841 6 HG1 THR 1 1HG THR 1 7.437 15.589 -19.719 7 HG21 THR 1 3HG2 THR 1 10.280 13.939 -19.595 8 HG22 THR 1 1HG2 THR 1 8.604 13.534 -19.220 9 HG23 THR 1 2HG2 THR 1 9.784 13.696 -17.919 10 H THR 2 H THR 2 10.280 17.650 -17.207 11 HA THR 2 HA THR 2 11.303 16.497 -14.695 12 HB THR 2 HB THR 2 12.936 18.150 -16.613 13 HG1 THR 2 1HG THR 2 12.814 16.500 -17.896 14 HG21 THR 2 3HG2 THR 2 13.539 16.444 -14.253 15 HG22 THR 2 1HG2 THR 2 14.182 18.024 -14.700 16 HG23 THR 2 2HG2 THR 2 14.725 16.578 -15.552 17 H TYR 3 H TYR 3 9.199 18.506 -15.036 18 HA TYR 3 HA TYR 3 10.263 21.076 -14.411 19 HB2 TYR 3 2HB TYR 3 7.508 19.866 -14.289 20 HB3 TYR 3 1HB TYR 3 7.818 21.499 -13.708 21 HD1 TYR 3 2HD TYR 3 8.567 19.421 -16.728 22 HD2 TYR 3 1HD TYR 3 7.411 23.214 -15.188 23 HE1 TYR 3 2HE TYR 3 8.335 20.275 -19.023 24 HE2 TYR 3 1HE TYR 3 7.177 24.080 -17.478 25 HH TYR 3 HH TYR 3 7.228 22.031 -20.231 26 H LYS 4 H LYS 4 8.869 22.018 -12.275 27 HA LYS 4 HA LYS 4 10.406 21.532 -10.092 28 HB2 LYS 4 2HB LYS 4 8.506 22.361 -8.717 29 HB3 LYS 4 1HB LYS 4 8.851 23.364 -10.118 30 HG2 LYS 4 2HG LYS 4 6.892 22.841 -11.147 31 HG3 LYS 4 1HG LYS 4 6.801 21.242 -10.403 32 HD2 LYS 4 2HD LYS 4 6.503 22.656 -8.206 33 HD3 LYS 4 1HD LYS 4 5.947 23.884 -9.345 34 HE2 LYS 4 2HE LYS 4 4.842 21.173 -9.693 35 HE3 LYS 4 1HE LYS 4 4.333 22.036 -8.249 36 HZ1 LYS 4 3HZ LYS 4 3.128 22.289 -10.594 37 HZ2 LYS 4 1HZ LYS 4 4.252 23.546 -10.729 38 HZ3 LYS 4 2HZ LYS 4 3.158 23.524 -9.439 39 H LEU 5 H LEU 5 9.834 20.501 -7.989 40 HA LEU 5 HA LEU 5 9.558 17.738 -8.270 41 HB2 LEU 5 2HB LEU 5 9.201 19.493 -5.854 42 HB3 LEU 5 1HB LEU 5 9.249 17.749 -5.781 43 HG LEU 5 HG LEU 5 11.406 19.535 -5.592 44 HD11 LEU 5 1HD1 LEU 5 12.725 17.428 -5.443 45 HD12 LEU 5 2HD1 LEU 5 11.267 16.549 -5.906 46 HD13 LEU 5 3HD1 LEU 5 11.299 17.473 -4.405 47 HD21 LEU 5 3HD2 LEU 5 12.899 18.661 -7.397 48 HD22 LEU 5 1HD2 LEU 5 11.630 19.747 -7.957 49 HD23 LEU 5 2HD2 LEU 5 11.467 18.007 -8.187 50 H ILE 6 H ILE 6 7.663 17.378 -9.509 51 HA ILE 6 HA ILE 6 5.086 18.185 -8.599 52 HB ILE 6 HB ILE 6 5.543 17.730 -10.967 53 HG12 ILE 6 2HG1 ILE 6 3.518 16.441 -11.446 54 HG13 ILE 6 1HG1 ILE 6 3.498 15.835 -9.793 55 HG21 ILE 6 1HG2 ILE 6 6.927 15.569 -10.139 56 HG22 ILE 6 2HG2 ILE 6 6.348 15.796 -11.789 57 HG23 ILE 6 3HG2 ILE 6 5.424 14.807 -10.658 58 HD11 ILE 6 3HD1 ILE 6 2.396 17.619 -9.094 59 HD12 ILE 6 1HD1 ILE 6 2.238 18.112 -10.781 60 HD13 ILE 6 2HD1 ILE 6 3.588 18.704 -9.812 61 H LEU 7 H LEU 7 5.583 17.362 -6.342 62 HA LEU 7 HA LEU 7 5.329 14.497 -5.982 63 HB2 LEU 7 2HB LEU 7 5.626 14.938 -3.632 64 HB3 LEU 7 1HB LEU 7 6.833 15.816 -4.552 65 HG LEU 7 HG LEU 7 4.764 17.646 -4.281 66 HD11 LEU 7 1HD1 LEU 7 4.116 15.777 -2.453 67 HD12 LEU 7 2HD1 LEU 7 3.773 17.492 -2.269 68 HD13 LEU 7 3HD1 LEU 7 5.196 16.787 -1.501 69 HD21 LEU 7 3HD2 LEU 7 6.804 18.588 -4.048 70 HD22 LEU 7 1HD2 LEU 7 7.457 17.224 -3.144 71 HD23 LEU 7 2HD2 LEU 7 6.433 18.402 -2.337 72 H ASN 8 H ASN 8 3.406 13.574 -6.101 73 HA ASN 8 HA ASN 8 1.129 14.886 -4.785 74 HB2 ASN 8 2HB ASN 8 0.966 13.432 -7.434 75 HB3 ASN 8 1HB ASN 8 -0.369 14.204 -6.576 76 HD21 ASN 8 1HD2 ASN 8 0.155 14.859 -9.161 77 HD22 ASN 8 2HD2 ASN 8 0.781 16.466 -9.249 78 H LEU 9 H LEU 9 -0.357 13.507 -3.813 79 HA LEU 9 HA LEU 9 0.707 10.958 -3.032 80 HB2 LEU 9 2HB LEU 9 -1.410 10.814 -1.691 81 HB3 LEU 9 1HB LEU 9 -0.363 12.172 -1.325 82 HG LEU 9 HG LEU 9 -2.487 12.700 -3.308 83 HD11 LEU 9 1HD1 LEU 9 -3.923 13.125 -1.089 84 HD12 LEU 9 2HD1 LEU 9 -3.028 11.688 -0.595 85 HD13 LEU 9 3HD1 LEU 9 -4.030 11.647 -2.046 86 HD21 LEU 9 3HD2 LEU 9 -0.897 14.108 -1.294 87 HD22 LEU 9 1HD2 LEU 9 -2.589 14.602 -1.350 88 HD23 LEU 9 2HD2 LEU 9 -1.595 14.694 -2.804 89 H LYS 10 H LYS 10 -1.777 12.103 -5.206 90 HA LYS 10 HA LYS 10 -3.376 9.939 -5.609 91 HB2 LYS 10 2HB LYS 10 -2.255 11.918 -7.583 92 HB3 LYS 10 1HB LYS 10 -3.408 10.682 -8.065 93 HG2 LYS 10 2HG LYS 10 -5.012 12.107 -7.513 94 HG3 LYS 10 1HG LYS 10 -4.561 11.842 -5.828 95 HD2 LYS 10 2HD LYS 10 -3.580 13.861 -5.645 96 HD3 LYS 10 1HD LYS 10 -2.881 13.778 -7.264 97 HE2 LYS 10 2HE LYS 10 -5.414 14.076 -7.972 98 HE3 LYS 10 1HE LYS 10 -5.522 14.819 -6.377 99 HZ1 LYS 10 3HZ LYS 10 -3.284 15.691 -7.996 100 HZ2 LYS 10 1HZ LYS 10 -4.343 16.595 -7.033 101 HZ3 LYS 10 2HZ LYS 10 -4.805 16.128 -8.591 102 H GLN 11 H GLN 11 -0.254 10.510 -7.261 103 HA GLN 11 HA GLN 11 -0.150 8.206 -8.783 104 HB2 GLN 11 2HB GLN 11 2.367 8.383 -8.507 105 HB3 GLN 11 1HB GLN 11 1.554 9.821 -9.110 106 HG2 GLN 11 2HG GLN 11 1.955 11.019 -7.214 107 HG3 GLN 11 1HG GLN 11 1.993 9.584 -6.183 108 HE21 GLN 11 1HE2 GLN 11 3.815 11.859 -7.895 109 HE22 GLN 11 2HE2 GLN 11 5.372 11.143 -7.675 110 H ALA 12 H ALA 12 0.442 8.639 -5.364 111 HA ALA 12 HA ALA 12 1.406 5.950 -4.970 112 HB1 ALA 12 1HB ALA 12 1.899 6.582 -2.834 113 HB2 ALA 12 2HB ALA 12 0.478 7.618 -2.696 114 HB3 ALA 12 3HB ALA 12 1.884 8.167 -3.608 115 H LYS 13 H LYS 13 -1.611 7.699 -4.733 116 HA LYS 13 HA LYS 13 -3.064 5.877 -3.185 117 HB2 LYS 13 2HB LYS 13 -4.427 7.648 -3.372 118 HB3 LYS 13 1HB LYS 13 -3.617 8.214 -4.826 119 HG2 LYS 13 2HG LYS 13 -5.619 5.977 -4.903 120 HG3 LYS 13 1HG LYS 13 -6.106 7.672 -4.972 121 HD2 LYS 13 2HD LYS 13 -3.945 7.154 -6.803 122 HD3 LYS 13 1HD LYS 13 -5.287 6.048 -7.099 123 HE2 LYS 13 2HE LYS 13 -6.662 7.698 -7.807 124 HE3 LYS 13 1HE LYS 13 -6.021 8.869 -6.656 125 HZ1 LYS 13 3HZ LYS 13 -5.156 8.268 -9.372 126 HZ2 LYS 13 1HZ LYS 13 -3.935 8.623 -8.255 127 HZ3 LYS 13 2HZ LYS 13 -5.172 9.742 -8.541 128 H GLU 14 H GLU 14 -2.295 6.009 -6.600 129 HA GLU 14 HA GLU 14 -3.947 3.753 -7.291 130 HB2 GLU 14 2HB GLU 14 -2.837 3.919 -9.496 131 HB3 GLU 14 1HB GLU 14 -3.515 5.455 -8.972 132 HG2 GLU 14 2HG GLU 14 -1.366 6.300 -8.401 133 HG3 GLU 14 1HG GLU 14 -0.622 4.717 -8.628 134 H GLU 15 H GLU 15 -0.637 4.368 -6.374 135 HA GLU 15 HA GLU 15 0.662 2.061 -7.162 136 HB2 GLU 15 2HB GLU 15 0.994 4.060 -5.025 137 HB3 GLU 15 1HB GLU 15 1.732 2.504 -4.683 138 HG2 GLU 15 2HG GLU 15 2.253 4.263 -7.065 139 HG3 GLU 15 1HG GLU 15 3.330 3.967 -5.697 140 H ALA 16 H ALA 16 -1.176 2.640 -4.181 141 HA ALA 16 HA ALA 16 -0.914 -0.048 -3.245 142 HB1 ALA 16 1HB ALA 16 -2.900 2.031 -2.347 143 HB2 ALA 16 2HB ALA 16 -1.234 1.937 -1.772 144 HB3 ALA 16 3HB ALA 16 -2.354 0.612 -1.451 145 H ILE 17 H ILE 17 -3.471 1.802 -4.864 146 HA ILE 17 HA ILE 17 -5.508 -0.093 -4.738 147 HB ILE 17 HB ILE 17 -4.877 2.108 -6.684 148 HG12 ILE 17 2HG1 ILE 17 -7.166 1.618 -4.771 149 HG13 ILE 17 1HG1 ILE 17 -5.790 2.680 -4.487 150 HG21 ILE 17 1HG2 ILE 17 -5.889 0.405 -8.088 151 HG22 ILE 17 2HG2 ILE 17 -7.017 1.735 -7.831 152 HG23 ILE 17 3HG2 ILE 17 -7.224 0.224 -6.948 153 HD11 ILE 17 3HD1 ILE 17 -7.307 4.216 -5.163 154 HD12 ILE 17 1HD1 ILE 17 -8.174 3.076 -6.190 155 HD13 ILE 17 2HD1 ILE 17 -6.650 3.773 -6.738 156 H LYS 18 H LYS 18 -3.015 0.358 -7.242 157 HA LYS 18 HA LYS 18 -3.837 -1.745 -8.910 158 HB2 LYS 18 2HB LYS 18 -1.973 0.191 -9.116 159 HB3 LYS 18 1HB LYS 18 -0.934 -1.175 -8.737 160 HG2 LYS 18 2HG LYS 18 -2.121 -2.392 -10.633 161 HG3 LYS 18 1HG LYS 18 -2.753 -0.810 -11.093 162 HD2 LYS 18 2HD LYS 18 0.168 -1.046 -10.611 163 HD3 LYS 18 1HD LYS 18 -0.481 -1.768 -12.084 164 HE2 LYS 18 2HE LYS 18 -1.439 0.948 -11.490 165 HE3 LYS 18 1HE LYS 18 0.282 0.823 -11.850 166 HZ1 LYS 18 3HZ LYS 18 -0.526 1.042 -13.942 167 HZ2 LYS 18 1HZ LYS 18 -2.020 0.334 -13.580 168 HZ3 LYS 18 2HZ LYS 18 -0.657 -0.639 -13.815 169 H GLU 19 H GLU 19 -1.536 -1.665 -6.218 170 HA GLU 19 HA GLU 19 -0.769 -4.396 -6.485 171 HB2 GLU 19 2HB GLU 19 -0.501 -2.621 -4.058 172 HB3 GLU 19 1HB GLU 19 0.436 -4.065 -4.425 173 HG2 GLU 19 2HG GLU 19 0.493 -1.869 -6.408 174 HG3 GLU 19 1HG GLU 19 1.334 -1.607 -4.880 175 H LEU 20 H LEU 20 -3.211 -2.680 -4.629 176 HA LEU 20 HA LEU 20 -3.827 -4.801 -2.875 177 HB2 LEU 20 2HB LEU 20 -4.903 -2.176 -3.488 178 HB3 LEU 20 1HB LEU 20 -6.170 -3.334 -3.137 179 HG LEU 20 HG LEU 20 -5.007 -3.861 -0.981 180 HD11 LEU 20 1HD1 LEU 20 -3.465 -1.341 -1.253 181 HD12 LEU 20 2HD1 LEU 20 -2.813 -2.812 -1.982 182 HD13 LEU 20 3HD1 LEU 20 -3.155 -2.761 -0.251 183 HD21 LEU 20 3HD2 LEU 20 -6.903 -2.287 -1.150 184 HD22 LEU 20 1HD2 LEU 20 -5.750 -0.968 -1.330 185 HD23 LEU 20 2HD2 LEU 20 -5.793 -1.900 0.162 186 H VAL 21 H VAL 21 -5.024 -3.904 -6.046 187 HA VAL 21 HA VAL 21 -7.141 -5.834 -6.060 188 HB VAL 21 HB VAL 21 -5.905 -4.541 -8.487 189 HG11 VAL 21 1HG1 VAL 21 -7.412 -5.946 -9.400 190 HG12 VAL 21 2HG1 VAL 21 -8.553 -4.677 -8.952 191 HG13 VAL 21 3HG1 VAL 21 -8.344 -6.086 -7.910 192 HG21 VAL 21 3HG2 VAL 21 -7.048 -3.191 -6.302 193 HG22 VAL 21 1HG2 VAL 21 -8.270 -3.194 -7.575 194 HG23 VAL 21 2HG2 VAL 21 -6.664 -2.538 -7.895 195 H ASP 22 H ASP 22 -3.791 -5.778 -7.020 196 HA ASP 22 HA ASP 22 -3.853 -8.126 -8.625 197 HB2 ASP 22 2HB ASP 22 -2.063 -6.147 -8.339 198 HB3 ASP 22 1HB ASP 22 -1.322 -7.349 -7.286 199 H ALA 23 H ALA 23 -3.635 -7.585 -5.200 200 HA ALA 23 HA ALA 23 -3.280 -10.493 -4.838 201 HB1 ALA 23 1HB ALA 23 -1.250 -8.900 -4.247 202 HB2 ALA 23 2HB ALA 23 -1.645 -10.301 -3.255 203 HB3 ALA 23 3HB ALA 23 -2.160 -8.693 -2.749 204 H GLY 24 H GLY 24 -4.302 -11.433 -3.023 205 HA2 GLY 24 2HA GLY 24 -6.801 -10.241 -2.355 206 HA3 GLY 24 1HA GLY 24 -6.151 -11.742 -1.695 207 H THR 25 H THR 25 -5.695 -8.229 -1.493 208 HA THR 25 HA THR 25 -4.893 -8.511 1.309 209 HB THR 25 HB THR 25 -3.289 -7.289 0.138 210 HG1 THR 25 1HG THR 25 -3.631 -5.081 0.895 211 HG21 THR 25 3HG2 THR 25 -4.349 -6.825 -1.919 212 HG22 THR 25 1HG2 THR 25 -3.838 -5.292 -1.218 213 HG23 THR 25 2HG2 THR 25 -5.532 -5.772 -1.142 214 H ALA 26 H ALA 26 -5.666 -5.527 1.585 215 HA ALA 26 HA ALA 26 -8.580 -5.884 1.791 216 HB1 ALA 26 1HB ALA 26 -7.263 -6.219 3.978 217 HB2 ALA 26 2HB ALA 26 -8.671 -5.156 3.995 218 HB3 ALA 26 3HB ALA 26 -7.049 -4.466 3.937 219 H GLU 27 H GLU 27 -9.747 -4.221 1.071 220 HA GLU 27 HA GLU 27 -8.697 -2.125 -0.392 221 HB2 GLU 27 2HB GLU 27 -11.036 -1.070 0.049 222 HB3 GLU 27 1HB GLU 27 -10.923 -2.570 -0.860 223 HG2 GLU 27 2HG GLU 27 -11.735 -3.838 0.897 224 HG3 GLU 27 1HG GLU 27 -11.371 -2.597 2.096 225 H LYS 28 H LYS 28 -9.478 -2.284 3.004 226 HA LYS 28 HA LYS 28 -9.585 0.341 3.760 227 HB2 LYS 28 2HB LYS 28 -8.016 -1.664 5.369 228 HB3 LYS 28 1HB LYS 28 -8.995 -0.327 5.953 229 HG2 LYS 28 2HG LYS 28 -9.952 -2.909 4.756 230 HG3 LYS 28 1HG LYS 28 -10.188 -2.321 6.408 231 HD2 LYS 28 2HD LYS 28 -11.636 -0.566 5.633 232 HD3 LYS 28 1HD LYS 28 -11.292 -0.966 3.945 233 HE2 LYS 28 2HE LYS 28 -12.754 -2.676 3.934 234 HE3 LYS 28 1HE LYS 28 -12.299 -3.207 5.551 235 HZ1 LYS 28 3HZ LYS 28 -14.646 -2.134 5.004 236 HZ2 LYS 28 1HZ LYS 28 -13.797 -0.712 5.358 237 HZ3 LYS 28 2HZ LYS 28 -13.893 -1.949 6.507 238 H TYR 29 H TYR 29 -6.809 -1.287 2.503 239 HA TYR 29 HA TYR 29 -4.919 0.544 3.659 240 HB2 TYR 29 2HB TYR 29 -4.419 -1.352 1.351 241 HB3 TYR 29 1HB TYR 29 -3.219 -0.572 2.383 242 HD1 TYR 29 2HD TYR 29 -3.817 -0.995 5.030 243 HD2 TYR 29 1HD TYR 29 -4.704 -3.604 1.790 244 HE1 TYR 29 2HE TYR 29 -3.879 -2.894 6.586 245 HE2 TYR 29 1HE TYR 29 -4.771 -5.510 3.341 246 HH TYR 29 HH TYR 29 -5.231 -5.796 5.887 247 H PHE 30 H PHE 30 -6.294 0.166 0.361 248 HA PHE 30 HA PHE 30 -4.794 2.332 -0.677 249 HB2 PHE 30 2HB PHE 30 -6.259 2.283 -2.616 250 HB3 PHE 30 1HB PHE 30 -5.765 0.658 -2.173 251 HD1 PHE 30 1HD PHE 30 -8.572 2.975 -1.245 252 HD2 PHE 30 2HD PHE 30 -7.374 -0.908 -2.505 253 HE1 PHE 30 1HE PHE 30 -10.921 2.262 -1.265 254 HE2 PHE 30 2HE PHE 30 -9.724 -1.630 -2.522 255 HZ PHE 30 HZ PHE 30 -11.502 -0.042 -1.904 256 H LYS 31 H LYS 31 -7.686 2.210 1.206 257 HA LYS 31 HA LYS 31 -8.472 4.910 0.494 258 HB2 LYS 31 2HB LYS 31 -10.251 4.619 2.166 259 HB3 LYS 31 1HB LYS 31 -10.230 3.303 1.000 260 HG2 LYS 31 2HG LYS 31 -10.461 2.081 2.887 261 HG3 LYS 31 1HG LYS 31 -8.701 2.196 2.868 262 HD2 LYS 31 2HD LYS 31 -8.641 3.520 4.689 263 HD3 LYS 31 1HD LYS 31 -10.069 4.432 4.193 264 HE2 LYS 31 2HE LYS 31 -11.529 2.771 5.036 265 HE3 LYS 31 1HE LYS 31 -10.204 1.630 5.264 266 HZ1 LYS 31 3HZ LYS 31 -11.055 3.843 6.943 267 HZ2 LYS 31 1HZ LYS 31 -9.380 3.644 6.786 268 HZ3 LYS 31 2HZ LYS 31 -10.335 2.376 7.372 269 H LEU 32 H LEU 32 -6.767 3.242 3.031 270 HA LEU 32 HA LEU 32 -6.700 5.440 4.854 271 HB2 LEU 32 2HB LEU 32 -5.655 2.713 4.703 272 HB3 LEU 32 1HB LEU 32 -4.552 3.831 5.498 273 HG LEU 32 HG LEU 32 -7.441 3.549 6.312 274 HD11 LEU 32 1HD1 LEU 32 -6.196 1.388 6.497 275 HD12 LEU 32 2HD1 LEU 32 -6.780 2.037 8.029 276 HD13 LEU 32 3HD1 LEU 32 -5.078 2.196 7.597 277 HD21 LEU 32 3HD2 LEU 32 -5.103 4.519 7.930 278 HD22 LEU 32 1HD2 LEU 32 -6.825 4.730 8.249 279 HD23 LEU 32 2HD2 LEU 32 -6.062 5.600 6.918 280 H ILE 33 H ILE 33 -4.723 4.331 2.201 281 HA ILE 33 HA ILE 33 -2.534 6.094 2.841 282 HB ILE 33 HB ILE 33 -1.654 5.379 0.591 283 HG12 ILE 33 2HG1 ILE 33 -3.163 2.984 0.331 284 HG13 ILE 33 1HG1 ILE 33 -4.306 4.321 0.370 285 HG21 ILE 33 1HG2 ILE 33 -2.224 2.981 2.275 286 HG22 ILE 33 2HG2 ILE 33 -1.268 4.312 2.924 287 HG23 ILE 33 3HG2 ILE 33 -0.727 3.461 1.477 288 HD11 ILE 33 3HD1 ILE 33 -2.777 5.395 -1.388 289 HD12 ILE 33 1HD1 ILE 33 -3.829 4.069 -1.880 290 HD13 ILE 33 2HD1 ILE 33 -2.117 3.774 -1.583 291 H ALA 34 H ALA 34 -5.093 5.984 0.371 292 HA ALA 34 HA ALA 34 -4.328 8.215 -1.104 293 HB1 ALA 34 1HB ALA 34 -7.222 7.662 -0.635 294 HB2 ALA 34 2HB ALA 34 -6.235 6.462 -1.471 295 HB3 ALA 34 3HB ALA 34 -6.387 8.093 -2.126 296 H ASN 35 H ASN 35 -5.717 7.989 2.046 297 HA ASN 35 HA ASN 35 -6.641 10.724 2.109 298 HB2 ASN 35 2HB ASN 35 -7.925 9.192 3.398 299 HB3 ASN 35 1HB ASN 35 -6.488 8.529 4.179 300 HD21 ASN 35 1HD2 ASN 35 -7.286 8.921 6.230 301 HD22 ASN 35 2HD2 ASN 35 -7.399 10.503 6.891 302 H ALA 36 H ALA 36 -3.716 9.023 2.773 303 HA ALA 36 HA ALA 36 -2.534 10.660 4.705 304 HB1 ALA 36 1HB ALA 36 -1.338 9.022 2.487 305 HB2 ALA 36 2HB ALA 36 -1.470 8.615 4.198 306 HB3 ALA 36 3HB ALA 36 -0.362 9.882 3.676 307 H LYS 37 H LYS 37 -1.221 12.472 4.590 308 HA LYS 37 HA LYS 37 -1.627 14.114 2.205 309 HB2 LYS 37 2HB LYS 37 -0.887 15.991 3.615 310 HB3 LYS 37 1HB LYS 37 -2.232 15.114 4.347 311 HG2 LYS 37 2HG LYS 37 -1.003 15.088 6.199 312 HG3 LYS 37 1HG LYS 37 -0.031 13.854 5.402 313 HD2 LYS 37 2HD LYS 37 1.629 15.321 5.927 314 HD3 LYS 37 1HD LYS 37 1.150 15.999 4.370 315 HE2 LYS 37 2HE LYS 37 -0.365 16.978 6.690 316 HE3 LYS 37 1HE LYS 37 1.342 17.421 6.669 317 HZ1 LYS 37 3HZ LYS 37 -0.807 18.213 4.853 318 HZ2 LYS 37 1HZ LYS 37 0.741 18.030 4.196 319 HZ3 LYS 37 2HZ LYS 37 0.483 19.122 5.459 320 H THR 38 H THR 38 0.416 11.872 2.590 321 HA THR 38 HA THR 38 2.595 13.295 1.323 322 HB THR 38 HB THR 38 4.309 12.330 2.813 323 HG1 THR 38 1HG THR 38 2.048 11.488 4.293 324 HG21 THR 38 3HG2 THR 38 3.465 14.614 3.251 325 HG22 THR 38 1HG2 THR 38 4.064 13.786 4.689 326 HG23 THR 38 2HG2 THR 38 2.328 13.925 4.410 327 H VAL 39 H VAL 39 3.632 12.083 -0.148 328 HA VAL 39 HA VAL 39 2.493 9.683 -1.033 329 HB VAL 39 HB VAL 39 4.503 9.484 -2.500 330 HG11 VAL 39 1HG1 VAL 39 2.650 10.702 -3.340 331 HG12 VAL 39 2HG1 VAL 39 4.091 11.652 -3.707 332 HG13 VAL 39 3HG1 VAL 39 3.047 12.114 -2.361 333 HG21 VAL 39 3HG2 VAL 39 6.354 10.333 -1.500 334 HG22 VAL 39 1HG2 VAL 39 5.459 11.604 -0.669 335 HG23 VAL 39 2HG2 VAL 39 5.858 11.780 -2.377 336 H GLU 40 H GLU 40 5.469 10.275 0.808 337 HA GLU 40 HA GLU 40 6.527 7.732 0.863 338 HB2 GLU 40 2HB GLU 40 6.500 9.555 3.265 339 HB3 GLU 40 1HB GLU 40 7.726 8.374 2.822 340 HG2 GLU 40 2HG GLU 40 7.618 10.068 0.640 341 HG3 GLU 40 1HG GLU 40 7.438 11.142 2.026 342 H GLY 41 H GLY 41 3.725 8.944 2.524 343 HA2 GLY 41 2HA GLY 41 3.557 6.792 4.422 344 HA3 GLY 41 1HA GLY 41 2.306 7.983 4.079 345 H VAL 42 H VAL 42 2.037 7.563 1.337 346 HA VAL 42 HA VAL 42 0.298 5.305 1.335 347 HB VAL 42 HB VAL 42 1.211 7.106 -0.908 348 HG11 VAL 42 1HG1 VAL 42 -1.059 6.123 -1.860 349 HG12 VAL 42 2HG1 VAL 42 -0.580 4.742 -0.872 350 HG13 VAL 42 3HG1 VAL 42 0.491 5.332 -2.140 351 HG21 VAL 42 3HG2 VAL 42 -1.424 7.616 -0.505 352 HG22 VAL 42 1HG2 VAL 42 -0.104 8.543 0.206 353 HG23 VAL 42 2HG2 VAL 42 -0.884 7.264 1.137 354 H TRP 43 H TRP 43 3.356 6.050 -0.330 355 HA TRP 43 HA TRP 43 3.526 3.632 -1.744 356 HB2 TRP 43 2HB TRP 43 5.574 5.666 -0.880 357 HB3 TRP 43 1HB TRP 43 6.080 4.198 -1.710 358 HD1 TRP 43 HD TRP 43 4.094 7.441 -2.308 359 HE1 TRP 43 1HE TRP 43 3.907 7.831 -4.839 360 HE3 TRP 43 3HE TRP 43 6.042 3.008 -3.964 361 HZ2 TRP 43 2HZ TRP 43 4.492 6.449 -7.224 362 HZ3 TRP 43 3HZ TRP 43 6.172 2.619 -6.391 363 HH2 TRP 43 HH TRP 43 5.419 4.305 -7.985 364 H THR 44 H THR 44 4.436 4.479 1.538 365 HA THR 44 HA THR 44 5.993 2.168 2.075 366 HB THR 44 HB THR 44 5.330 2.733 4.514 367 HG1 THR 44 1HG THR 44 4.497 5.164 3.351 368 HG21 THR 44 3HG2 THR 44 7.409 3.518 4.204 369 HG22 THR 44 1HG2 THR 44 6.585 5.078 4.209 370 HG23 THR 44 2HG2 THR 44 7.005 4.307 2.679 371 H LEU 45 H LEU 45 2.625 2.988 2.913 372 HA LEU 45 HA LEU 45 1.883 0.577 4.053 373 HB2 LEU 45 2HB LEU 45 0.584 2.932 3.161 374 HB3 LEU 45 1HB LEU 45 -0.290 1.578 2.470 375 HD11 LEU 45 1HD1 LEU 45 -0.137 3.712 5.204 376 HD12 LEU 45 2HD1 LEU 45 1.106 2.625 5.824 377 HD13 LEU 45 3HD1 LEU 45 -0.514 2.599 6.519 378 HD21 LEU 45 3HD2 LEU 45 -2.106 1.253 3.429 379 HD22 LEU 45 1HD2 LEU 45 -2.225 2.712 4.412 380 HD23 LEU 45 2HD2 LEU 45 -2.351 1.125 5.170 381 H LYS 46 H LYS 46 2.157 1.486 0.681 382 HA LYS 46 HA LYS 46 0.854 -0.718 -0.474 383 HB2 LYS 46 2HB LYS 46 1.434 1.277 -1.760 384 HB3 LYS 46 1HB LYS 46 3.146 0.947 -1.535 385 HG2 LYS 46 2HG LYS 46 2.184 -1.383 -2.656 386 HG3 LYS 46 1HG LYS 46 1.286 -0.114 -3.490 387 HD2 LYS 46 2HD LYS 46 3.132 -0.162 -4.819 388 HD3 LYS 46 1HD LYS 46 3.709 0.980 -3.604 389 HE2 LYS 46 2HE LYS 46 4.791 -0.874 -2.404 390 HE3 LYS 46 1HE LYS 46 4.242 -1.990 -3.654 391 HZ1 LYS 46 3HZ LYS 46 5.759 -1.223 -5.138 392 HZ2 LYS 46 1HZ LYS 46 6.620 -0.896 -3.719 393 HZ3 LYS 46 2HZ LYS 46 5.782 0.345 -4.504 394 H ASP 47 H ASP 47 4.243 -0.186 0.418 395 HA ASP 47 HA ASP 47 5.334 -2.555 -0.548 396 HB2 ASP 47 2HB ASP 47 6.295 -0.412 0.864 397 HB3 ASP 47 1HB ASP 47 6.392 -1.699 2.064 398 H GLU 48 H GLU 48 3.476 -1.911 2.349 399 HA GLU 48 HA GLU 48 3.974 -4.404 3.626 400 HB2 GLU 48 2HB GLU 48 3.075 -2.294 4.716 401 HB3 GLU 48 1HB GLU 48 1.525 -2.675 3.979 402 HG2 GLU 48 2HG GLU 48 1.622 -4.887 5.160 403 HG3 GLU 48 1HG GLU 48 3.025 -4.273 6.033 404 H ILE 49 H ILE 49 1.603 -3.242 1.325 405 HA ILE 49 HA ILE 49 -0.224 -5.378 1.400 406 HB ILE 49 HB ILE 49 0.496 -3.826 -1.083 407 HG12 ILE 49 2HG1 ILE 49 0.194 -2.185 0.658 408 HG13 ILE 49 1HG1 ILE 49 -1.248 -2.194 -0.345 409 HG21 ILE 49 1HG2 ILE 49 -1.458 -4.542 -1.956 410 HG22 ILE 49 2HG2 ILE 49 -2.284 -4.521 -0.399 411 HG23 ILE 49 3HG2 ILE 49 -1.224 -5.867 -0.814 412 HD11 ILE 49 3HD1 ILE 49 -0.894 -3.303 2.416 413 HD12 ILE 49 1HD1 ILE 49 -2.264 -3.733 1.393 414 HD13 ILE 49 2HD1 ILE 49 -2.009 -2.053 1.864 415 H LYS 50 H LYS 50 2.881 -4.999 -0.168 416 HA LYS 50 HA LYS 50 2.578 -7.421 -1.729 417 HB2 LYS 50 2HB LYS 50 3.933 -5.217 -2.282 418 HB3 LYS 50 1HB LYS 50 5.206 -6.043 -1.393 419 HG2 LYS 50 2HG LYS 50 5.523 -7.593 -3.010 420 HG3 LYS 50 1HG LYS 50 3.825 -7.602 -3.491 421 HD2 LYS 50 2HD LYS 50 4.075 -5.618 -4.755 422 HD3 LYS 50 1HD LYS 50 5.655 -5.279 -4.046 423 HE2 LYS 50 2HE LYS 50 6.610 -7.194 -5.174 424 HE3 LYS 50 1HE LYS 50 5.027 -7.645 -5.808 425 HZ1 LYS 50 3HZ LYS 50 5.256 -5.126 -6.683 426 HZ2 LYS 50 1HZ LYS 50 5.707 -6.486 -7.584 427 HZ3 LYS 50 2HZ LYS 50 6.876 -5.616 -6.725 428 H THR 51 H THR 51 3.934 -6.442 1.314 429 HA THR 51 HA THR 51 5.520 -8.848 1.600 430 HB THR 51 HB THR 51 4.942 -6.974 3.864 431 HG1 THR 51 1HG THR 51 6.550 -6.440 1.605 432 HG21 THR 51 3HG2 THR 51 6.372 -8.726 4.487 433 HG22 THR 51 1HG2 THR 51 7.400 -7.317 4.233 434 HG23 THR 51 2HG2 THR 51 7.317 -8.581 3.005 435 H PHE 52 H PHE 52 2.507 -7.519 2.868 436 HA PHE 52 HA PHE 52 2.078 -9.835 4.536 437 HB2 PHE 52 2HB PHE 52 0.674 -8.523 5.699 438 HB3 PHE 52 1HB PHE 52 1.298 -7.205 4.717 439 HD1 PHE 52 1HD PHE 52 -1.467 -9.592 5.119 440 HD2 PHE 52 2HD PHE 52 -0.058 -6.129 3.103 441 HE1 PHE 52 1HE PHE 52 -3.728 -9.184 4.261 442 HE2 PHE 52 2HE PHE 52 -2.321 -5.703 2.230 443 HZ PHE 52 HZ PHE 52 -4.161 -7.238 2.808 444 H THR 53 H THR 53 1.867 -9.429 1.381 445 HA THR 53 HA THR 53 -0.675 -10.291 0.608 446 HB THR 53 HB THR 53 1.411 -9.473 -0.801 447 HG1 THR 53 1HG THR 53 0.424 -10.428 -2.637 448 HG21 THR 53 3HG2 THR 53 2.492 -11.850 -0.157 449 HG22 THR 53 1HG2 THR 53 2.865 -10.957 -1.631 450 HG23 THR 53 2HG2 THR 53 1.684 -12.265 -1.669 451 H VAL 54 H VAL 54 -0.510 -12.578 -0.826 452 HA VAL 54 HA VAL 54 -0.099 -14.609 1.264 453 HB VAL 54 HB VAL 54 -1.757 -15.983 0.026 454 HG11 VAL 54 1HG1 VAL 54 -2.362 -13.403 1.326 455 HG12 VAL 54 2HG1 VAL 54 -2.866 -15.035 1.748 456 HG13 VAL 54 3HG1 VAL 54 -3.689 -14.170 0.453 457 HG21 VAL 54 3HG2 VAL 54 -1.479 -15.019 -2.187 458 HG22 VAL 54 1HG2 VAL 54 -2.112 -13.475 -1.619 459 HG23 VAL 54 2HG2 VAL 54 -3.161 -14.892 -1.676 460 H THR 55 H THR 55 0.410 -16.819 0.441 461 HA THR 55 HA THR 55 1.901 -16.838 -2.075 462 HB THR 55 HB THR 55 3.091 -17.817 0.524 463 HG1 THR 55 1HG THR 55 3.538 -15.445 -0.949 464 HG21 THR 55 3HG2 THR 55 5.181 -17.516 -1.078 465 HG22 THR 55 1HG2 THR 55 3.975 -17.917 -2.293 466 HG23 THR 55 2HG2 THR 55 4.287 -19.028 -0.959 467 H GLU 56 H GLU 56 1.278 -18.543 -3.215 468 HA GLU 56 HA GLU 56 0.075 -20.818 -1.831 469 HB2 GLU 56 2HB GLU 56 -0.675 -19.400 -4.107 470 HB3 GLU 56 1HB GLU 56 -0.045 -20.920 -4.729 471 HG2 GLU 56 2HG GLU 56 -1.564 -22.079 -3.079 472 HG3 GLU 56 1HG GLU 56 -2.316 -20.508 -2.808 Start of MODEL 8 1 H1 THR 1 1HT THR 1 4.614 31.975 -14.661 2 H2 THR 1 2HT THR 1 3.833 33.485 -14.920 3 H3 THR 1 3HT THR 1 3.039 32.242 -14.041 4 HA THR 1 HA THR 1 5.583 33.416 -13.176 5 HB THR 1 HB THR 1 4.026 35.244 -13.398 6 HG1 THR 1 1HG THR 1 4.144 35.939 -11.360 7 HG21 THR 1 3HG2 THR 1 1.849 35.319 -12.525 8 HG22 THR 1 1HG2 THR 1 2.060 33.801 -11.654 9 HG23 THR 1 2HG2 THR 1 1.955 33.803 -13.414 10 H THR 2 H THR 2 6.238 32.653 -11.215 11 HA THR 2 HA THR 2 6.391 31.281 -9.410 12 HB THR 2 HB THR 2 3.467 30.821 -9.231 13 HG1 THR 2 1HG THR 2 3.200 32.864 -9.797 14 HG21 THR 2 3HG2 THR 2 4.469 32.143 -6.973 15 HG22 THR 2 1HG2 THR 2 5.693 30.966 -7.448 16 HG23 THR 2 2HG2 THR 2 4.038 30.441 -7.134 17 H TYR 3 H TYR 3 7.099 29.262 -9.555 18 HA TYR 3 HA TYR 3 5.563 27.347 -11.175 19 HB2 TYR 3 2HB TYR 3 8.501 27.718 -10.731 20 HB3 TYR 3 1HB TYR 3 7.885 26.126 -11.140 21 HD1 TYR 3 2HD TYR 3 7.202 29.606 -12.325 22 HD2 TYR 3 1HD TYR 3 8.193 25.608 -13.358 23 HE1 TYR 3 2HE TYR 3 7.201 30.236 -14.699 24 HE2 TYR 3 1HE TYR 3 8.193 26.220 -15.740 25 HH TYR 3 HH TYR 3 7.229 27.941 -17.200 26 H LYS 4 H LYS 4 4.231 26.546 -9.568 27 HA LYS 4 HA LYS 4 4.975 25.849 -6.978 28 HB2 LYS 4 2HB LYS 4 2.724 25.246 -8.781 29 HB3 LYS 4 1HB LYS 4 2.994 24.056 -7.516 30 HG2 LYS 4 2HG LYS 4 2.487 25.523 -5.834 31 HG3 LYS 4 1HG LYS 4 2.922 26.941 -6.793 32 HD2 LYS 4 2HD LYS 4 0.910 26.914 -7.965 33 HD3 LYS 4 1HD LYS 4 0.583 25.224 -7.556 34 HE2 LYS 4 2HE LYS 4 0.623 27.483 -5.550 35 HE3 LYS 4 1HE LYS 4 -0.837 26.903 -6.347 36 HZ1 LYS 4 3HZ LYS 4 -0.958 25.539 -4.595 37 HZ2 LYS 4 1HZ LYS 4 0.676 25.723 -4.190 38 HZ3 LYS 4 2HZ LYS 4 0.218 24.624 -5.393 39 H LEU 5 H LEU 5 6.049 24.203 -6.102 40 HA LEU 5 HA LEU 5 7.049 22.108 -7.879 41 HB2 LEU 5 2HB LEU 5 8.940 22.141 -6.680 42 HB3 LEU 5 1HB LEU 5 8.348 23.676 -6.085 43 HG LEU 5 HG LEU 5 7.260 22.274 -4.196 44 HD11 LEU 5 1HD1 LEU 5 9.388 20.351 -4.250 45 HD12 LEU 5 2HD1 LEU 5 8.413 20.224 -5.716 46 HD13 LEU 5 3HD1 LEU 5 7.647 20.094 -4.132 47 HD21 LEU 5 3HD2 LEU 5 9.709 22.096 -3.165 48 HD22 LEU 5 1HD2 LEU 5 8.884 23.643 -3.389 49 HD23 LEU 5 2HD2 LEU 5 10.082 23.096 -4.568 50 H ILE 6 H ILE 6 4.738 22.627 -5.440 51 HA ILE 6 HA ILE 6 4.568 20.378 -3.948 52 HB ILE 6 HB ILE 6 2.975 22.108 -3.613 53 HG12 ILE 6 2HG1 ILE 6 0.946 20.900 -3.353 54 HG13 ILE 6 1HG1 ILE 6 1.300 19.860 -4.722 55 HG21 ILE 6 1HG2 ILE 6 1.885 23.186 -5.229 56 HG22 ILE 6 2HG2 ILE 6 1.266 21.696 -5.925 57 HG23 ILE 6 3HG2 ILE 6 2.874 22.271 -6.359 58 HD11 ILE 6 3HD1 ILE 6 2.349 18.393 -3.435 59 HD12 ILE 6 1HD1 ILE 6 1.712 19.285 -2.054 60 HD13 ILE 6 2HD1 ILE 6 3.324 19.646 -2.675 61 H LEU 7 H LEU 7 4.243 18.279 -4.240 62 HA LEU 7 HA LEU 7 3.714 17.299 -6.940 63 HB2 LEU 7 2HB LEU 7 4.381 15.604 -4.549 64 HB3 LEU 7 1HB LEU 7 4.624 15.236 -6.246 65 HG LEU 7 HG LEU 7 6.223 17.397 -6.015 66 HD11 LEU 7 1HD1 LEU 7 5.837 16.307 -3.294 67 HD12 LEU 7 2HD1 LEU 7 6.260 17.937 -3.817 68 HD13 LEU 7 3HD1 LEU 7 7.491 16.674 -3.782 69 HD21 LEU 7 3HD2 LEU 7 6.624 14.477 -5.812 70 HD22 LEU 7 1HD2 LEU 7 7.991 15.497 -5.365 71 HD23 LEU 7 2HD2 LEU 7 7.276 15.636 -6.970 72 H ASN 8 H ASN 8 2.701 14.715 -5.992 73 HA ASN 8 HA ASN 8 0.189 15.386 -4.687 74 HB2 ASN 8 2HB ASN 8 0.427 14.570 -7.548 75 HB3 ASN 8 1HB ASN 8 -0.945 13.973 -6.611 76 HD21 ASN 8 1HD2 ASN 8 -0.280 16.150 -8.784 77 HD22 ASN 8 2HD2 ASN 8 -1.261 17.477 -8.270 78 H LEU 9 H LEU 9 -0.973 13.589 -3.913 79 HA LEU 9 HA LEU 9 0.730 11.335 -3.270 80 HB2 LEU 9 2HB LEU 9 -1.183 10.687 -1.792 81 HB3 LEU 9 1HB LEU 9 -0.443 12.235 -1.432 82 HG LEU 9 HG LEU 9 -2.769 12.347 -3.243 83 HD11 LEU 9 1HD1 LEU 9 -4.087 12.328 -0.893 84 HD12 LEU 9 2HD1 LEU 9 -2.886 11.070 -0.598 85 HD13 LEU 9 3HD1 LEU 9 -3.980 10.940 -1.976 86 HD21 LEU 9 3HD2 LEU 9 -3.015 14.421 -2.363 87 HD22 LEU 9 1HD2 LEU 9 -1.313 14.187 -1.962 88 HD23 LEU 9 2HD2 LEU 9 -2.552 13.909 -0.739 89 H LYS 10 H LYS 10 -2.086 12.030 -5.205 90 HA LYS 10 HA LYS 10 -3.396 9.758 -5.642 91 HB2 LYS 10 2HB LYS 10 -2.329 11.496 -7.868 92 HB3 LYS 10 1HB LYS 10 -3.696 10.398 -7.988 93 HG2 LYS 10 2HG LYS 10 -4.959 12.157 -7.489 94 HG3 LYS 10 1HG LYS 10 -4.362 11.976 -5.839 95 HD2 LYS 10 2HD LYS 10 -2.842 13.696 -6.059 96 HD3 LYS 10 1HD LYS 10 -2.752 13.531 -7.813 97 HE2 LYS 10 2HE LYS 10 -5.424 14.200 -7.147 98 HE3 LYS 10 1HE LYS 10 -4.364 15.296 -6.261 99 HZ1 LYS 10 3HZ LYS 10 -4.825 15.072 -9.119 100 HZ2 LYS 10 1HZ LYS 10 -3.221 15.348 -8.657 101 HZ3 LYS 10 2HZ LYS 10 -4.435 16.428 -8.187 102 H GLN 11 H GLN 11 -0.283 10.435 -7.271 103 HA GLN 11 HA GLN 11 -0.006 8.145 -8.751 104 HB2 GLN 11 2HB GLN 11 2.499 8.394 -8.276 105 HB3 GLN 11 1HB GLN 11 1.676 9.766 -9.005 106 HG2 GLN 11 2HG GLN 11 1.690 10.980 -6.999 107 HG3 GLN 11 1HG GLN 11 2.095 9.552 -6.043 108 HE21 GLN 11 1HE2 GLN 11 4.054 9.769 -5.249 109 HE22 GLN 11 2HE2 GLN 11 5.440 10.356 -6.097 110 H ALA 12 H ALA 12 0.519 8.565 -5.308 111 HA ALA 12 HA ALA 12 1.484 5.874 -4.923 112 HB1 ALA 12 1HB ALA 12 1.946 6.486 -2.767 113 HB2 ALA 12 2HB ALA 12 0.561 7.576 -2.663 114 HB3 ALA 12 3HB ALA 12 2.001 8.058 -3.565 115 H LYS 13 H LYS 13 -1.550 7.609 -4.626 116 HA LYS 13 HA LYS 13 -2.963 5.755 -3.078 117 HB2 LYS 13 2HB LYS 13 -4.359 7.505 -3.237 118 HB3 LYS 13 1HB LYS 13 -3.563 8.101 -4.683 119 HG2 LYS 13 2HG LYS 13 -5.520 5.834 -4.815 120 HG3 LYS 13 1HG LYS 13 -6.055 7.515 -4.802 121 HD2 LYS 13 2HD LYS 13 -3.889 7.054 -6.680 122 HD3 LYS 13 1HD LYS 13 -5.300 6.052 -7.025 123 HE2 LYS 13 2HE LYS 13 -6.001 8.802 -6.375 124 HE3 LYS 13 1HE LYS 13 -4.939 8.684 -7.777 125 HZ1 LYS 13 3HZ LYS 13 -7.606 8.398 -7.856 126 HZ2 LYS 13 1HZ LYS 13 -7.112 6.783 -7.759 127 HZ3 LYS 13 2HZ LYS 13 -6.545 7.768 -9.012 128 H GLU 14 H GLU 14 -2.250 5.931 -6.505 129 HA GLU 14 HA GLU 14 -3.889 3.670 -7.205 130 HB2 GLU 14 2HB GLU 14 -2.795 3.869 -9.416 131 HB3 GLU 14 1HB GLU 14 -3.484 5.392 -8.870 132 HG2 GLU 14 2HG GLU 14 -1.321 6.224 -8.268 133 HG3 GLU 14 1HG GLU 14 -0.579 4.660 -8.600 134 H GLU 15 H GLU 15 -0.569 4.294 -6.321 135 HA GLU 15 HA GLU 15 0.737 2.006 -7.146 136 HB2 GLU 15 2HB GLU 15 1.071 3.982 -4.995 137 HB3 GLU 15 1HB GLU 15 1.797 2.420 -4.648 138 HG2 GLU 15 2HG GLU 15 2.335 4.138 -7.059 139 HG3 GLU 15 1HG GLU 15 3.391 3.921 -5.659 140 H ALA 16 H ALA 16 -1.094 2.527 -4.153 141 HA ALA 16 HA ALA 16 -0.815 -0.166 -3.245 142 HB1 ALA 16 1HB ALA 16 -1.152 1.727 -1.712 143 HB2 ALA 16 2HB ALA 16 -2.372 0.471 -1.495 144 HB3 ALA 16 3HB ALA 16 -2.775 1.950 -2.365 145 H ILE 17 H ILE 17 -3.452 1.687 -4.749 146 HA ILE 17 HA ILE 17 -5.442 -0.228 -4.703 147 HB ILE 17 HB ILE 17 -4.821 2.008 -6.605 148 HG12 ILE 17 2HG1 ILE 17 -7.112 1.452 -4.714 149 HG13 ILE 17 1HG1 ILE 17 -5.758 2.538 -4.415 150 HG21 ILE 17 1HG2 ILE 17 -5.801 0.327 -8.055 151 HG22 ILE 17 2HG2 ILE 17 -6.950 1.634 -7.778 152 HG23 ILE 17 3HG2 ILE 17 -7.141 0.100 -6.930 153 HD11 ILE 17 3HD1 ILE 17 -6.996 3.282 -6.864 154 HD12 ILE 17 1HD1 ILE 17 -6.862 4.196 -5.361 155 HD13 ILE 17 2HD1 ILE 17 -8.235 3.120 -5.618 156 H LYS 18 H LYS 18 -2.858 0.207 -7.099 157 HA LYS 18 HA LYS 18 -3.699 -1.848 -8.843 158 HB2 LYS 18 2HB LYS 18 -2.133 -0.098 -9.532 159 HB3 LYS 18 1HB LYS 18 -0.935 -0.707 -8.400 160 HG2 LYS 18 2HG LYS 18 -1.970 -2.652 -10.358 161 HG3 LYS 18 1HG LYS 18 -0.981 -1.340 -11.002 162 HD2 LYS 18 2HD LYS 18 0.402 -2.168 -8.752 163 HD3 LYS 18 1HD LYS 18 -0.202 -3.672 -9.452 164 HE2 LYS 18 2HE LYS 18 1.161 -3.531 -11.232 165 HE3 LYS 18 1HE LYS 18 0.917 -1.793 -11.402 166 HZ1 LYS 18 3HZ LYS 18 2.922 -3.246 -9.836 167 HZ2 LYS 18 1HZ LYS 18 2.383 -1.752 -9.251 168 HZ3 LYS 18 2HZ LYS 18 3.094 -1.854 -10.781 169 H GLU 19 H GLU 19 -1.262 -1.819 -6.251 170 HA GLU 19 HA GLU 19 -0.532 -4.535 -6.527 171 HB2 GLU 19 2HB GLU 19 -0.311 -2.815 -4.054 172 HB3 GLU 19 1HB GLU 19 0.645 -4.243 -4.442 173 HG2 GLU 19 2HG GLU 19 0.688 -1.938 -6.323 174 HG3 GLU 19 1HG GLU 19 1.585 -1.819 -4.809 175 H LEU 20 H LEU 20 -2.928 -2.879 -4.551 176 HA LEU 20 HA LEU 20 -3.591 -5.039 -2.873 177 HB2 LEU 20 2HB LEU 20 -4.664 -2.397 -3.505 178 HB3 LEU 20 1HB LEU 20 -5.914 -3.558 -3.107 179 HG LEU 20 HG LEU 20 -4.583 -4.060 -1.001 180 HD11 LEU 20 1HD1 LEU 20 -2.846 -2.793 -0.328 181 HD12 LEU 20 2HD1 LEU 20 -3.352 -1.391 -1.274 182 HD13 LEU 20 3HD1 LEU 20 -2.571 -2.761 -2.071 183 HD21 LEU 20 3HD2 LEU 20 -5.697 -2.409 0.200 184 HD22 LEU 20 1HD2 LEU 20 -6.655 -2.568 -1.271 185 HD23 LEU 20 2HD2 LEU 20 -5.528 -1.224 -1.094 186 H VAL 21 H VAL 21 -5.011 -3.948 -5.941 187 HA VAL 21 HA VAL 21 -7.068 -5.889 -6.001 188 HB VAL 21 HB VAL 21 -5.803 -4.522 -8.378 189 HG11 VAL 21 1HG1 VAL 21 -7.186 -6.145 -9.263 190 HG12 VAL 21 2HG1 VAL 21 -8.273 -4.761 -9.153 191 HG13 VAL 21 3HG1 VAL 21 -8.341 -6.035 -7.935 192 HG21 VAL 21 3HG2 VAL 21 -6.888 -2.606 -7.916 193 HG22 VAL 21 1HG2 VAL 21 -6.875 -3.209 -6.259 194 HG23 VAL 21 2HG2 VAL 21 -8.300 -3.442 -7.271 195 H ASP 22 H ASP 22 -3.728 -5.919 -6.999 196 HA ASP 22 HA ASP 22 -3.890 -8.250 -8.624 197 HB2 ASP 22 2HB ASP 22 -1.845 -6.380 -7.770 198 HB3 ASP 22 1HB ASP 22 -1.247 -8.037 -7.756 199 H ALA 23 H ALA 23 -3.563 -7.762 -5.191 200 HA ALA 23 HA ALA 23 -3.406 -10.682 -4.873 201 HB1 ALA 23 1HB ALA 23 -1.735 -8.893 -3.130 202 HB2 ALA 23 2HB ALA 23 -1.119 -9.575 -4.638 203 HB3 ALA 23 3HB ALA 23 -1.638 -10.642 -3.334 204 H GLY 24 H GLY 24 -4.384 -11.530 -3.040 205 HA2 GLY 24 2HA GLY 24 -6.643 -10.335 -2.025 206 HA3 GLY 24 1HA GLY 24 -5.748 -11.600 -1.183 207 H THR 25 H THR 25 -6.822 -8.452 -1.015 208 HA THR 25 HA THR 25 -5.039 -7.889 1.252 209 HB THR 25 HB THR 25 -4.285 -6.736 -0.814 210 HG1 THR 25 1HG THR 25 -4.151 -5.819 1.404 211 HG21 THR 25 3HG2 THR 25 -5.597 -5.495 -2.109 212 HG22 THR 25 1HG2 THR 25 -6.389 -4.730 -0.734 213 HG23 THR 25 2HG2 THR 25 -6.939 -6.305 -1.307 214 H ALA 26 H ALA 26 -6.045 -5.303 1.708 215 HA ALA 26 HA ALA 26 -8.899 -5.704 2.275 216 HB1 ALA 26 1HB ALA 26 -7.396 -4.197 4.307 217 HB2 ALA 26 2HB ALA 26 -7.039 -5.922 4.233 218 HB3 ALA 26 3HB ALA 26 -8.698 -5.379 4.498 219 H GLU 27 H GLU 27 -9.683 -4.290 0.831 220 HA GLU 27 HA GLU 27 -8.751 -2.091 -0.346 221 HB2 GLU 27 2HB GLU 27 -11.160 -1.121 -0.084 222 HB3 GLU 27 1HB GLU 27 -10.906 -2.611 -0.981 223 HG2 GLU 27 2HG GLU 27 -11.759 -3.926 0.739 224 HG3 GLU 27 1HG GLU 27 -11.607 -2.633 1.928 225 H LYS 28 H LYS 28 -9.770 -2.156 3.008 226 HA LYS 28 HA LYS 28 -9.979 0.513 3.608 227 HB2 LYS 28 2HB LYS 28 -8.503 -1.364 5.439 228 HB3 LYS 28 1HB LYS 28 -9.546 -0.014 5.865 229 HG2 LYS 28 2HG LYS 28 -10.381 -2.676 4.734 230 HG3 LYS 28 1HG LYS 28 -10.696 -2.041 6.346 231 HD2 LYS 28 2HD LYS 28 -11.651 -0.208 4.347 232 HD3 LYS 28 1HD LYS 28 -12.325 -1.816 4.079 233 HE2 LYS 28 2HE LYS 28 -12.342 -0.451 6.759 234 HE3 LYS 28 1HE LYS 28 -13.648 -0.276 5.588 235 HZ1 LYS 28 3HZ LYS 28 -13.665 -2.827 5.615 236 HZ2 LYS 28 1HZ LYS 28 -14.343 -2.012 6.933 237 HZ3 LYS 28 2HZ LYS 28 -12.801 -2.691 7.063 238 H TYR 29 H TYR 29 -7.112 -1.232 2.741 239 HA TYR 29 HA TYR 29 -5.239 0.598 3.858 240 HB2 TYR 29 2HB TYR 29 -4.738 -1.277 1.537 241 HB3 TYR 29 1HB TYR 29 -3.543 -0.560 2.619 242 HD1 TYR 29 2HD TYR 29 -4.495 -0.998 5.262 243 HD2 TYR 29 1HD TYR 29 -4.836 -3.557 1.883 244 HE1 TYR 29 2HE TYR 29 -4.647 -2.936 6.753 245 HE2 TYR 29 1HE TYR 29 -4.989 -5.503 3.365 246 HH TYR 29 HH TYR 29 -4.032 -5.724 6.221 247 H PHE 30 H PHE 30 -6.286 0.140 0.439 248 HA PHE 30 HA PHE 30 -4.807 2.330 -0.501 249 HB2 PHE 30 2HB PHE 30 -6.153 2.245 -2.525 250 HB3 PHE 30 1HB PHE 30 -5.670 0.631 -2.028 251 HD1 PHE 30 1HD PHE 30 -8.547 2.949 -1.370 252 HD2 PHE 30 2HD PHE 30 -7.232 -0.977 -2.353 253 HE1 PHE 30 1HE PHE 30 -10.884 2.208 -1.513 254 HE2 PHE 30 2HE PHE 30 -9.572 -1.727 -2.494 255 HZ PHE 30 HZ PHE 30 -11.401 -0.133 -2.075 256 H LYS 31 H LYS 31 -7.806 2.184 1.186 257 HA LYS 31 HA LYS 31 -8.625 4.856 0.439 258 HB2 LYS 31 2HB LYS 31 -9.809 2.601 1.792 259 HB3 LYS 31 1HB LYS 31 -10.011 4.056 2.759 260 HG2 LYS 31 2HG LYS 31 -10.827 5.118 0.543 261 HG3 LYS 31 1HG LYS 31 -11.049 3.445 0.027 262 HD2 LYS 31 2HD LYS 31 -13.081 3.679 0.969 263 HD3 LYS 31 1HD LYS 31 -12.210 3.385 2.476 264 HE2 LYS 31 2HE LYS 31 -11.843 5.956 2.460 265 HE3 LYS 31 1HE LYS 31 -13.195 5.966 1.328 266 HZ1 LYS 31 3HZ LYS 31 -14.457 4.686 3.043 267 HZ2 LYS 31 1HZ LYS 31 -14.076 6.274 3.486 268 HZ3 LYS 31 2HZ LYS 31 -13.191 4.982 4.125 269 H LEU 32 H LEU 32 -6.824 3.283 2.945 270 HA LEU 32 HA LEU 32 -6.854 5.517 4.754 271 HB2 LEU 32 2HB LEU 32 -5.915 2.770 4.738 272 HB3 LEU 32 1HB LEU 32 -4.726 3.857 5.450 273 HG LEU 32 HG LEU 32 -7.566 4.022 6.367 274 HD11 LEU 32 1HD1 LEU 32 -7.087 2.321 8.075 275 HD12 LEU 32 2HD1 LEU 32 -5.573 1.943 7.256 276 HD13 LEU 32 3HD1 LEU 32 -7.113 1.649 6.446 277 HD21 LEU 32 3HD2 LEU 32 -4.925 4.353 7.783 278 HD22 LEU 32 1HD2 LEU 32 -6.523 4.708 8.439 279 HD23 LEU 32 2HD2 LEU 32 -5.886 5.666 7.103 280 H ILE 33 H ILE 33 -4.612 4.146 2.385 281 HA ILE 33 HA ILE 33 -2.481 5.917 2.995 282 HB ILE 33 HB ILE 33 -1.599 5.237 0.723 283 HG12 ILE 33 2HG1 ILE 33 -3.163 2.867 0.465 284 HG13 ILE 33 1HG1 ILE 33 -4.262 4.240 0.477 285 HG21 ILE 33 1HG2 ILE 33 -1.003 2.988 1.500 286 HG22 ILE 33 2HG2 ILE 33 -2.252 3.096 2.740 287 HG23 ILE 33 3HG2 ILE 33 -0.870 4.190 2.783 288 HD11 ILE 33 3HD1 ILE 33 -2.684 5.251 -1.273 289 HD12 ILE 33 1HD1 ILE 33 -3.761 3.945 -1.766 290 HD13 ILE 33 2HD1 ILE 33 -2.060 3.612 -1.441 291 H ALA 34 H ALA 34 -4.991 5.932 0.494 292 HA ALA 34 HA ALA 34 -4.147 8.163 -0.933 293 HB1 ALA 34 1HB ALA 34 -6.169 8.076 -2.011 294 HB2 ALA 34 2HB ALA 34 -7.062 7.694 -0.540 295 HB3 ALA 34 3HB ALA 34 -6.097 6.449 -1.333 296 H ASN 35 H ASN 35 -5.594 7.951 2.197 297 HA ASN 35 HA ASN 35 -6.285 10.786 2.211 298 HB2 ASN 35 2HB ASN 35 -7.951 9.292 3.129 299 HB3 ASN 35 1HB ASN 35 -6.768 8.593 4.239 300 HD21 ASN 35 1HD2 ASN 35 -8.994 11.118 3.674 301 HD22 ASN 35 2HD2 ASN 35 -8.761 11.969 5.160 302 H ALA 36 H ALA 36 -3.621 8.868 2.979 303 HA ALA 36 HA ALA 36 -2.646 9.922 5.353 304 HB1 ALA 36 1HB ALA 36 -1.373 8.176 4.609 305 HB2 ALA 36 2HB ALA 36 -0.342 9.533 4.161 306 HB3 ALA 36 3HB ALA 36 -1.351 8.756 2.943 307 H LYS 37 H LYS 37 -2.831 11.407 2.213 308 HA LYS 37 HA LYS 37 -2.404 13.528 1.509 309 HB2 LYS 37 2HB LYS 37 -2.749 13.781 4.364 310 HB3 LYS 37 1HB LYS 37 -1.550 14.934 3.781 311 HG2 LYS 37 2HG LYS 37 -3.078 16.004 2.389 312 HG3 LYS 37 1HG LYS 37 -4.202 14.647 2.425 313 HD2 LYS 37 2HD LYS 37 -4.878 15.129 4.630 314 HD3 LYS 37 1HD LYS 37 -3.529 16.240 4.877 315 HE2 LYS 37 2HE LYS 37 -4.681 17.449 2.801 316 HE3 LYS 37 1HE LYS 37 -6.104 16.652 3.469 317 HZ1 LYS 37 3HZ LYS 37 -5.867 18.844 4.391 318 HZ2 LYS 37 1HZ LYS 37 -4.288 18.516 4.909 319 HZ3 LYS 37 2HZ LYS 37 -5.594 17.707 5.614 320 H THR 38 H THR 38 -0.268 11.402 2.187 321 HA THR 38 HA THR 38 1.999 13.110 1.510 322 HB THR 38 HB THR 38 3.323 11.495 3.153 323 HG1 THR 38 1HG THR 38 2.128 10.544 4.574 324 HG21 THR 38 3HG2 THR 38 3.458 13.851 3.415 325 HG22 THR 38 1HG2 THR 38 3.063 13.139 4.980 326 HG23 THR 38 2HG2 THR 38 1.806 13.933 4.033 327 H VAL 39 H VAL 39 3.562 12.088 0.261 328 HA VAL 39 HA VAL 39 2.654 9.790 -1.177 329 HB VAL 39 HB VAL 39 4.722 10.007 -2.483 330 HG11 VAL 39 1HG1 VAL 39 3.184 12.544 -1.973 331 HG12 VAL 39 2HG1 VAL 39 2.874 11.322 -3.205 332 HG13 VAL 39 3HG1 VAL 39 4.313 12.336 -3.312 333 HG21 VAL 39 3HG2 VAL 39 6.195 11.990 -2.000 334 HG22 VAL 39 1HG2 VAL 39 6.323 10.657 -0.853 335 HG23 VAL 39 2HG2 VAL 39 5.403 12.100 -0.428 336 H GLU 40 H GLU 40 5.424 10.407 0.977 337 HA GLU 40 HA GLU 40 6.559 7.858 0.830 338 HB2 GLU 40 2HB GLU 40 6.589 9.635 3.268 339 HB3 GLU 40 1HB GLU 40 7.786 8.432 2.805 340 HG2 GLU 40 2HG GLU 40 8.123 9.874 0.708 341 HG3 GLU 40 1HG GLU 40 7.272 11.126 1.611 342 H GLY 41 H GLY 41 3.770 8.984 2.556 343 HA2 GLY 41 2HA GLY 41 3.677 6.799 4.422 344 HA3 GLY 41 1HA GLY 41 2.402 7.974 4.124 345 H VAL 42 H VAL 42 2.133 7.564 1.353 346 HA VAL 42 HA VAL 42 0.407 5.289 1.377 347 HB VAL 42 HB VAL 42 1.253 7.100 -0.881 348 HG11 VAL 42 1HG1 VAL 42 -0.564 4.751 -0.785 349 HG12 VAL 42 2HG1 VAL 42 0.506 5.298 -2.071 350 HG13 VAL 42 3HG1 VAL 42 -1.027 6.124 -1.790 351 HG21 VAL 42 3HG2 VAL 42 -0.679 7.343 1.268 352 HG22 VAL 42 1HG2 VAL 42 -1.423 7.517 -0.322 353 HG23 VAL 42 2HG2 VAL 42 -0.080 8.562 0.143 354 H TRP 43 H TRP 43 3.441 6.083 -0.309 355 HA TRP 43 HA TRP 43 3.602 3.678 -1.759 356 HB2 TRP 43 2HB TRP 43 5.626 5.747 -0.935 357 HB3 TRP 43 1HB TRP 43 6.159 4.277 -1.744 358 HD1 TRP 43 HD TRP 43 4.108 7.470 -2.387 359 HE1 TRP 43 1HE TRP 43 3.896 7.809 -4.921 360 HE3 TRP 43 3HE TRP 43 6.123 3.042 -3.976 361 HZ2 TRP 43 2HZ TRP 43 4.486 6.395 -7.284 362 HZ3 TRP 43 3HZ TRP 43 6.242 2.612 -6.397 363 HH2 TRP 43 HH TRP 43 5.444 4.256 -8.014 364 H THR 44 H THR 44 4.697 4.546 1.482 365 HA THR 44 HA THR 44 6.222 2.212 1.963 366 HB THR 44 HB THR 44 5.746 2.784 4.415 367 HG1 THR 44 1HG THR 44 4.691 5.167 3.325 368 HG21 THR 44 3HG2 THR 44 6.949 5.062 4.219 369 HG22 THR 44 1HG2 THR 44 7.076 4.651 2.509 370 HG23 THR 44 2HG2 THR 44 7.786 3.590 3.725 371 H LEU 45 H LEU 45 2.897 3.072 2.912 372 HA LEU 45 HA LEU 45 2.211 0.630 4.076 373 HB2 LEU 45 2HB LEU 45 0.902 3.050 3.396 374 HB3 LEU 45 1HB LEU 45 -0.063 1.745 2.733 375 HD11 LEU 45 1HD1 LEU 45 1.571 3.085 5.564 376 HD12 LEU 45 2HD1 LEU 45 1.590 1.493 6.322 377 HD13 LEU 45 3HD1 LEU 45 0.353 2.668 6.771 378 HD21 LEU 45 3HD2 LEU 45 -1.273 3.419 4.621 379 HD22 LEU 45 1HD2 LEU 45 -1.681 2.353 5.965 380 HD23 LEU 45 2HD2 LEU 45 -2.014 1.849 4.308 381 H LYS 46 H LYS 46 2.280 1.654 0.732 382 HA LYS 46 HA LYS 46 0.783 -0.428 -0.408 383 HB2 LYS 46 2HB LYS 46 1.418 1.584 -1.655 384 HB3 LYS 46 1HB LYS 46 3.111 1.114 -1.574 385 HG2 LYS 46 2HG LYS 46 1.775 -1.077 -2.688 386 HG3 LYS 46 1HG LYS 46 1.088 0.350 -3.464 387 HD2 LYS 46 2HD LYS 46 2.969 -0.371 -4.761 388 HD3 LYS 46 1HD LYS 46 3.412 1.126 -3.938 389 HE2 LYS 46 2HE LYS 46 4.315 -0.514 -2.104 390 HE3 LYS 46 1HE LYS 46 4.334 -1.668 -3.437 391 HZ1 LYS 46 3HZ LYS 46 6.363 -0.806 -3.781 392 HZ2 LYS 46 1HZ LYS 46 6.028 0.634 -2.959 393 HZ3 LYS 46 2HZ LYS 46 5.524 0.438 -4.561 394 H ASP 47 H ASP 47 4.205 -0.166 0.420 395 HA ASP 47 HA ASP 47 5.022 -2.617 -0.719 396 HB2 ASP 47 2HB ASP 47 6.543 -0.746 0.009 397 HB3 ASP 47 1HB ASP 47 6.255 -1.237 1.675 398 H GLU 48 H GLU 48 3.617 -1.750 2.370 399 HA GLU 48 HA GLU 48 4.127 -4.149 3.750 400 HB2 GLU 48 2HB GLU 48 3.371 -2.090 4.863 401 HB3 GLU 48 1HB GLU 48 1.809 -2.232 4.067 402 HG2 GLU 48 2HG GLU 48 1.180 -4.063 5.346 403 HG3 GLU 48 1HG GLU 48 2.841 -4.433 5.807 404 H ILE 49 H ILE 49 1.489 -3.147 1.634 405 HA ILE 49 HA ILE 49 -0.024 -5.553 2.006 406 HB ILE 49 HB ILE 49 -0.246 -3.283 0.036 407 HG12 ILE 49 2HG1 ILE 49 -1.975 -2.499 1.340 408 HG13 ILE 49 1HG1 ILE 49 -2.430 -4.105 1.893 409 HG21 ILE 49 1HG2 ILE 49 -2.599 -4.662 -0.209 410 HG22 ILE 49 2HG2 ILE 49 -1.411 -5.958 -0.124 411 HG23 ILE 49 3HG2 ILE 49 -1.264 -4.707 -1.359 412 HD11 ILE 49 3HD1 ILE 49 -0.564 -4.118 3.439 413 HD12 ILE 49 1HD1 ILE 49 -1.581 -2.702 3.700 414 HD13 ILE 49 2HD1 ILE 49 -0.044 -2.540 2.849 415 H LYS 50 H LYS 50 2.515 -4.493 -0.122 416 HA LYS 50 HA LYS 50 2.141 -6.385 -2.189 417 HB2 LYS 50 2HB LYS 50 3.582 -4.308 -2.282 418 HB3 LYS 50 1HB LYS 50 4.773 -5.180 -1.326 419 HG2 LYS 50 2HG LYS 50 5.616 -5.711 -3.335 420 HG3 LYS 50 1HG LYS 50 4.363 -6.952 -3.316 421 HD2 LYS 50 2HD LYS 50 2.935 -5.680 -4.687 422 HD3 LYS 50 1HD LYS 50 3.865 -4.204 -4.424 423 HE2 LYS 50 2HE LYS 50 4.275 -5.101 -6.650 424 HE3 LYS 50 1HE LYS 50 5.738 -5.161 -5.668 425 HZ1 LYS 50 3HZ LYS 50 4.746 -7.564 -5.169 426 HZ2 LYS 50 1HZ LYS 50 5.790 -7.256 -6.465 427 HZ3 LYS 50 2HZ LYS 50 4.121 -7.338 -6.724 428 H THR 51 H THR 51 3.683 -6.536 0.942 429 HA THR 51 HA THR 51 4.700 -9.226 0.356 430 HB THR 51 HB THR 51 5.240 -7.854 2.948 431 HG1 THR 51 1HG THR 51 5.863 -6.181 1.798 432 HG21 THR 51 3HG2 THR 51 6.465 -9.734 3.015 433 HG22 THR 51 1HG2 THR 51 7.598 -8.755 2.087 434 HG23 THR 51 2HG2 THR 51 6.526 -9.885 1.259 435 H PHE 52 H PHE 52 2.799 -7.476 2.798 436 HA PHE 52 HA PHE 52 1.176 -8.149 4.232 437 HB2 PHE 52 2HB PHE 52 0.863 -9.815 1.890 438 HB3 PHE 52 1HB PHE 52 0.395 -10.685 3.343 439 HD1 PHE 52 2HD PHE 52 -0.078 -7.367 1.753 440 HD2 PHE 52 1HD PHE 52 -1.785 -10.482 4.075 441 HE1 PHE 52 2HE PHE 52 -2.237 -6.180 1.721 442 HE2 PHE 52 1HE PHE 52 -3.951 -9.316 4.060 443 HZ PHE 52 HZ PHE 52 -4.176 -7.159 2.878 444 H THR 53 H THR 53 4.059 -9.195 4.341 445 HA THR 53 HA THR 53 3.828 -11.668 5.785 446 HB THR 53 HB THR 53 6.082 -9.836 5.048 447 HG1 THR 53 1HG THR 53 5.483 -11.390 3.556 448 HG21 THR 53 3HG2 THR 53 6.462 -12.245 6.827 449 HG22 THR 53 1HG2 THR 53 6.574 -10.567 7.366 450 HG23 THR 53 2HG2 THR 53 7.712 -11.184 6.169 451 H VAL 54 H VAL 54 3.156 -11.765 7.821 452 HA VAL 54 HA VAL 54 4.242 -10.009 9.826 453 HB VAL 54 HB VAL 54 1.935 -9.383 10.690 454 HG11 VAL 54 1HG1 VAL 54 2.389 -8.050 8.067 455 HG12 VAL 54 2HG1 VAL 54 3.662 -7.981 9.285 456 HG13 VAL 54 3HG1 VAL 54 2.057 -7.344 9.647 457 HG21 VAL 54 3HG2 VAL 54 0.060 -9.681 9.452 458 HG22 VAL 54 1HG2 VAL 54 0.978 -11.051 8.830 459 HG23 VAL 54 2HG2 VAL 54 0.915 -9.545 7.916 460 H THR 55 H THR 55 3.176 -10.535 12.025 461 HA THR 55 HA THR 55 2.777 -13.454 12.146 462 HB THR 55 HB THR 55 3.696 -11.657 14.392 463 HG1 THR 55 1HG THR 55 5.181 -11.656 12.618 464 HG21 THR 55 3HG2 THR 55 4.459 -13.616 15.476 465 HG22 THR 55 1HG2 THR 55 4.128 -14.607 14.053 466 HG23 THR 55 2HG2 THR 55 2.791 -13.919 14.970 467 H GLU 56 H GLU 56 0.778 -14.086 12.544 468 HA GLU 56 HA GLU 56 -1.022 -12.271 13.991 469 HB2 GLU 56 2HB GLU 56 -2.810 -13.839 13.042 470 HB3 GLU 56 1HB GLU 56 -1.985 -12.779 11.910 471 HG2 GLU 56 2HG GLU 56 -0.586 -14.582 11.152 472 HG3 GLU 56 1HG GLU 56 -1.265 -15.662 12.381 Start of MODEL 9 1 H1 THR 1 1HT THR 1 1.161 26.440 8.490 2 H2 THR 1 2HT THR 1 1.674 25.324 7.293 3 H3 THR 1 3HT THR 1 0.307 24.969 8.266 4 HA THR 1 HA THR 1 -0.821 26.883 7.334 5 HB THR 1 HB THR 1 0.138 28.007 5.425 6 HG1 THR 1 1HG THR 1 2.415 26.349 5.737 7 HG21 THR 1 3HG2 THR 1 1.534 29.362 6.518 8 HG22 THR 1 1HG2 THR 1 2.581 28.041 7.037 9 HG23 THR 1 2HG2 THR 1 1.094 28.387 7.921 10 H THR 2 H THR 2 -2.080 26.647 5.355 11 HA THR 2 HA THR 2 -1.628 24.393 3.637 12 HB THR 2 HB THR 2 -4.173 24.193 5.198 13 HG1 THR 2 1HG THR 2 -1.740 22.995 6.017 14 HG21 THR 2 3HG2 THR 2 -4.414 22.391 3.959 15 HG22 THR 2 1HG2 THR 2 -3.004 21.688 4.746 16 HG23 THR 2 2HG2 THR 2 -2.814 22.603 3.250 17 H TYR 3 H TYR 3 -1.765 26.141 2.135 18 HA TYR 3 HA TYR 3 -4.443 27.287 1.774 19 HB2 TYR 3 2HB TYR 3 -2.166 28.635 1.834 20 HB3 TYR 3 1HB TYR 3 -2.099 28.156 0.138 21 HD1 TYR 3 2HD TYR 3 -5.016 29.146 2.243 22 HD2 TYR 3 1HD TYR 3 -2.536 30.080 -1.087 23 HE1 TYR 3 2HE TYR 3 -6.509 31.010 1.661 24 HE2 TYR 3 1HE TYR 3 -4.022 31.950 -1.676 25 HH TYR 3 HH TYR 3 -6.469 33.088 0.431 26 H LYS 4 H LYS 4 -1.812 26.266 -0.410 27 HA LYS 4 HA LYS 4 -3.846 25.243 -2.263 28 HB2 LYS 4 2HB LYS 4 -2.086 25.289 -3.955 29 HB3 LYS 4 1HB LYS 4 -2.251 26.856 -3.187 30 HG2 LYS 4 2HG LYS 4 -0.328 25.994 -1.658 31 HG3 LYS 4 1HG LYS 4 -0.042 24.865 -2.981 32 HD2 LYS 4 2HD LYS 4 0.116 26.771 -4.537 33 HD3 LYS 4 1HD LYS 4 -0.097 27.874 -3.178 34 HE2 LYS 4 2HE LYS 4 1.945 26.982 -2.144 35 HE3 LYS 4 1HE LYS 4 2.160 25.905 -3.525 36 HZ1 LYS 4 3HZ LYS 4 3.527 27.722 -3.965 37 HZ2 LYS 4 1HZ LYS 4 2.380 28.852 -3.444 38 HZ3 LYS 4 2HZ LYS 4 2.154 28.023 -4.905 39 H LEU 5 H LEU 5 -4.336 23.238 -1.473 40 HA LEU 5 HA LEU 5 -2.529 21.382 -0.418 41 HB2 LEU 5 2HB LEU 5 -5.177 20.973 -1.800 42 HB3 LEU 5 1HB LEU 5 -4.307 19.703 -0.967 43 HG LEU 5 HG LEU 5 -6.213 21.466 0.101 44 HD11 LEU 5 1HD1 LEU 5 -5.952 19.200 0.805 45 HD12 LEU 5 2HD1 LEU 5 -5.704 20.240 2.198 46 HD13 LEU 5 3HD1 LEU 5 -4.319 19.515 1.388 47 HD21 LEU 5 3HD2 LEU 5 -3.448 22.067 1.131 48 HD22 LEU 5 1HD2 LEU 5 -4.928 22.421 2.020 49 HD23 LEU 5 2HD2 LEU 5 -4.626 23.198 0.465 50 H ILE 6 H ILE 6 -0.703 21.038 -1.616 51 HA ILE 6 HA ILE 6 -0.596 20.706 -4.396 52 HB ILE 6 HB ILE 6 1.389 21.204 -3.056 53 HG12 ILE 6 2HG1 ILE 6 2.944 19.572 -4.118 54 HG13 ILE 6 1HG1 ILE 6 1.553 18.598 -4.581 55 HG21 ILE 6 1HG2 ILE 6 1.773 18.422 -2.173 56 HG22 ILE 6 2HG2 ILE 6 0.523 19.331 -1.325 57 HG23 ILE 6 3HG2 ILE 6 2.178 19.937 -1.369 58 HD11 ILE 6 3HD1 ILE 6 1.021 21.184 -5.506 59 HD12 ILE 6 1HD1 ILE 6 1.445 19.760 -6.456 60 HD13 ILE 6 2HD1 ILE 6 2.709 20.856 -5.899 61 H LEU 7 H LEU 7 -1.767 19.213 -5.431 62 HA LEU 7 HA LEU 7 -2.268 16.618 -4.258 63 HB2 LEU 7 2HB LEU 7 -3.569 16.222 -6.347 64 HB3 LEU 7 1HB LEU 7 -4.094 17.612 -5.415 65 HG LEU 7 HG LEU 7 -2.215 18.593 -7.272 66 HD11 LEU 7 1HD1 LEU 7 -2.273 16.993 -8.866 67 HD12 LEU 7 2HD1 LEU 7 -3.757 17.833 -9.320 68 HD13 LEU 7 3HD1 LEU 7 -3.837 16.368 -8.340 69 HD21 LEU 7 3HD2 LEU 7 -4.479 19.463 -6.258 70 HD22 LEU 7 1HD2 LEU 7 -5.145 18.801 -7.751 71 HD23 LEU 7 2HD2 LEU 7 -3.896 20.046 -7.817 72 H ASN 8 H ASN 8 -0.421 15.430 -4.220 73 HA ASN 8 HA ASN 8 0.576 14.541 -6.814 74 HB2 ASN 8 2HB ASN 8 2.058 16.248 -5.050 75 HB3 ASN 8 1HB ASN 8 2.858 14.676 -5.137 76 HD21 ASN 8 1HD2 ASN 8 1.586 17.325 -7.077 77 HD22 ASN 8 2HD2 ASN 8 2.649 17.092 -8.419 78 H LEU 9 H LEU 9 -0.899 13.631 -4.238 79 HA LEU 9 HA LEU 9 0.714 11.370 -3.425 80 HB2 LEU 9 2HB LEU 9 -2.085 12.151 -2.603 81 HB3 LEU 9 1HB LEU 9 -1.096 10.915 -1.847 82 HG LEU 9 HG LEU 9 0.091 13.617 -1.971 83 HD11 LEU 9 1HD1 LEU 9 -2.150 12.983 -0.064 84 HD12 LEU 9 2HD1 LEU 9 -2.278 14.072 -1.447 85 HD13 LEU 9 3HD1 LEU 9 -1.184 14.458 -0.118 86 HD21 LEU 9 3HD2 LEU 9 -0.147 11.950 0.474 87 HD22 LEU 9 1HD2 LEU 9 1.199 12.934 -0.100 88 HD23 LEU 9 2HD2 LEU 9 0.876 11.365 -0.837 89 H LYS 10 H LYS 10 -2.031 12.054 -5.463 90 HA LYS 10 HA LYS 10 -3.376 9.770 -5.815 91 HB2 LYS 10 2HB LYS 10 -2.276 11.427 -8.090 92 HB3 LYS 10 1HB LYS 10 -3.654 10.339 -8.181 93 HG2 LYS 10 2HG LYS 10 -3.460 12.873 -6.570 94 HG3 LYS 10 1HG LYS 10 -4.433 12.600 -8.017 95 HD2 LYS 10 2HD LYS 10 -5.462 10.659 -6.593 96 HD3 LYS 10 1HD LYS 10 -4.840 11.598 -5.233 97 HE2 LYS 10 2HE LYS 10 -6.046 13.542 -6.670 98 HE3 LYS 10 1HE LYS 10 -7.071 12.165 -7.073 99 HZ1 LYS 10 3HZ LYS 10 -7.872 12.039 -4.987 100 HZ2 LYS 10 1HZ LYS 10 -7.427 13.670 -4.918 101 HZ3 LYS 10 2HZ LYS 10 -6.412 12.488 -4.260 102 H GLN 11 H GLN 11 -0.246 10.404 -7.427 103 HA GLN 11 HA GLN 11 0.062 8.062 -8.822 104 HB2 GLN 11 2HB GLN 11 2.558 8.349 -8.334 105 HB3 GLN 11 1HB GLN 11 1.734 9.693 -9.112 106 HG2 GLN 11 2HG GLN 11 1.816 11.014 -7.221 107 HG3 GLN 11 1HG GLN 11 2.013 9.631 -6.141 108 HE21 GLN 11 1HE2 GLN 11 3.559 12.160 -7.628 109 HE22 GLN 11 2HE2 GLN 11 5.193 11.629 -7.447 110 H ALA 12 H ALA 12 0.463 8.620 -5.395 111 HA ALA 12 HA ALA 12 1.470 5.966 -4.863 112 HB1 ALA 12 1HB ALA 12 0.427 7.686 -2.680 113 HB2 ALA 12 2HB ALA 12 1.846 8.248 -3.566 114 HB3 ALA 12 3HB ALA 12 1.881 6.689 -2.742 115 H LYS 13 H LYS 13 -1.594 7.678 -4.729 116 HA LYS 13 HA LYS 13 -3.031 5.821 -3.202 117 HB2 LYS 13 2HB LYS 13 -4.442 7.549 -3.382 118 HB3 LYS 13 1HB LYS 13 -3.609 8.169 -4.800 119 HG2 LYS 13 2HG LYS 13 -5.520 5.878 -5.048 120 HG3 LYS 13 1HG LYS 13 -6.107 7.539 -4.961 121 HD2 LYS 13 2HD LYS 13 -5.355 8.051 -7.026 122 HD3 LYS 13 1HD LYS 13 -3.895 7.078 -6.843 123 HE2 LYS 13 2HE LYS 13 -5.197 6.058 -8.548 124 HE3 LYS 13 1HE LYS 13 -5.339 5.041 -7.115 125 HZ1 LYS 13 3HZ LYS 13 -7.502 5.752 -6.731 126 HZ2 LYS 13 1HZ LYS 13 -7.449 5.587 -8.415 127 HZ3 LYS 13 2HZ LYS 13 -7.347 7.122 -7.712 128 H GLU 14 H GLU 14 -2.231 5.984 -6.607 129 HA GLU 14 HA GLU 14 -3.846 3.716 -7.337 130 HB2 GLU 14 2HB GLU 14 -3.356 5.454 -8.988 131 HB3 GLU 14 1HB GLU 14 -1.633 5.144 -8.830 132 HG2 GLU 14 2HG GLU 14 -2.240 4.054 -10.791 133 HG3 GLU 14 1HG GLU 14 -2.165 2.769 -9.588 134 H GLU 15 H GLU 15 -0.564 4.338 -6.335 135 HA GLU 15 HA GLU 15 0.751 2.028 -7.101 136 HB2 GLU 15 2HB GLU 15 1.048 4.039 -4.964 137 HB3 GLU 15 1HB GLU 15 1.812 2.491 -4.633 138 HG2 GLU 15 2HG GLU 15 2.302 4.275 -7.003 139 HG3 GLU 15 1HG GLU 15 3.384 3.993 -5.637 140 H ALA 16 H ALA 16 -1.119 2.630 -4.141 141 HA ALA 16 HA ALA 16 -0.850 -0.045 -3.172 142 HB1 ALA 16 1HB ALA 16 -1.214 1.974 -1.740 143 HB2 ALA 16 2HB ALA 16 -2.293 0.621 -1.396 144 HB3 ALA 16 3HB ALA 16 -2.881 2.007 -2.318 145 H ILE 17 H ILE 17 -3.397 1.757 -4.854 146 HA ILE 17 HA ILE 17 -5.423 -0.151 -4.721 147 HB ILE 17 HB ILE 17 -4.791 2.065 -6.632 148 HG12 ILE 17 2HG1 ILE 17 -7.159 1.451 -4.857 149 HG13 ILE 17 1HG1 ILE 17 -5.844 2.560 -4.483 150 HG21 ILE 17 1HG2 ILE 17 -7.022 0.075 -7.060 151 HG22 ILE 17 2HG2 ILE 17 -5.654 0.376 -8.132 152 HG23 ILE 17 3HG2 ILE 17 -6.872 1.626 -7.886 153 HD11 ILE 17 3HD1 ILE 17 -7.374 3.028 -6.975 154 HD12 ILE 17 1HD1 ILE 17 -6.633 4.179 -5.863 155 HD13 ILE 17 2HD1 ILE 17 -8.154 3.395 -5.436 156 H LYS 18 H LYS 18 -2.917 0.289 -7.219 157 HA LYS 18 HA LYS 18 -3.707 -1.856 -8.851 158 HB2 LYS 18 2HB LYS 18 -1.872 0.101 -9.093 159 HB3 LYS 18 1HB LYS 18 -0.813 -1.239 -8.678 160 HG2 LYS 18 2HG LYS 18 -2.796 -1.834 -10.756 161 HG3 LYS 18 1HG LYS 18 -1.594 -0.616 -11.189 162 HD2 LYS 18 2HD LYS 18 0.195 -2.109 -10.840 163 HD3 LYS 18 1HD LYS 18 -0.828 -3.258 -9.975 164 HE2 LYS 18 2HE LYS 18 -1.843 -4.012 -11.924 165 HE3 LYS 18 1HE LYS 18 -1.405 -2.564 -12.828 166 HZ1 LYS 18 3HZ LYS 18 0.715 -4.336 -11.824 167 HZ2 LYS 18 1HZ LYS 18 0.724 -3.310 -13.169 168 HZ3 LYS 18 2HZ LYS 18 -0.130 -4.768 -13.223 169 H GLU 19 H GLU 19 -1.495 -1.690 -6.105 170 HA GLU 19 HA GLU 19 -0.639 -4.404 -6.316 171 HB2 GLU 19 2HB GLU 19 -0.472 -2.508 -3.970 172 HB3 GLU 19 1HB GLU 19 0.456 -3.990 -4.178 173 HG2 GLU 19 2HG GLU 19 0.622 -1.881 -6.271 174 HG3 GLU 19 1HG GLU 19 1.478 -1.644 -4.748 175 H LEU 20 H LEU 20 -3.154 -2.704 -4.552 176 HA LEU 20 HA LEU 20 -3.769 -4.789 -2.763 177 HB2 LEU 20 2HB LEU 20 -4.834 -2.194 -3.426 178 HB3 LEU 20 1HB LEU 20 -6.133 -3.346 -3.192 179 HG LEU 20 HG LEU 20 -5.112 -3.912 -0.952 180 HD11 LEU 20 1HD1 LEU 20 -2.890 -2.740 -1.791 181 HD12 LEU 20 2HD1 LEU 20 -3.345 -2.795 -0.085 182 HD13 LEU 20 3HD1 LEU 20 -3.654 -1.338 -1.035 183 HD21 LEU 20 3HD2 LEU 20 -6.017 -1.948 0.141 184 HD22 LEU 20 1HD2 LEU 20 -7.041 -2.414 -1.217 185 HD23 LEU 20 2HD2 LEU 20 -5.941 -1.047 -1.369 186 H VAL 21 H VAL 21 -4.974 -3.963 -5.960 187 HA VAL 21 HA VAL 21 -7.011 -5.971 -5.976 188 HB VAL 21 HB VAL 21 -5.815 -4.727 -8.442 189 HG11 VAL 21 1HG1 VAL 21 -7.780 -5.277 -9.491 190 HG12 VAL 21 2HG1 VAL 21 -8.709 -5.271 -7.993 191 HG13 VAL 21 3HG1 VAL 21 -7.625 -6.615 -8.354 192 HG21 VAL 21 3HG2 VAL 21 -8.116 -3.281 -7.576 193 HG22 VAL 21 1HG2 VAL 21 -6.479 -2.689 -7.858 194 HG23 VAL 21 2HG2 VAL 21 -6.935 -3.298 -6.267 195 H ASP 22 H ASP 22 -3.656 -5.809 -6.909 196 HA ASP 22 HA ASP 22 -3.606 -8.153 -8.507 197 HB2 ASP 22 2HB ASP 22 -1.888 -6.152 -8.230 198 HB3 ASP 22 1HB ASP 22 -1.163 -7.250 -7.059 199 H ALA 23 H ALA 23 -3.505 -7.633 -5.072 200 HA ALA 23 HA ALA 23 -3.087 -10.535 -4.723 201 HB1 ALA 23 1HB ALA 23 -1.511 -10.314 -3.081 202 HB2 ALA 23 2HB ALA 23 -2.073 -8.715 -2.594 203 HB3 ALA 23 3HB ALA 23 -1.113 -8.906 -4.063 204 H GLY 24 H GLY 24 -4.142 -11.514 -2.952 205 HA2 GLY 24 2HA GLY 24 -6.702 -10.438 -2.367 206 HA3 GLY 24 1HA GLY 24 -5.990 -11.882 -1.636 207 H THR 25 H THR 25 -5.682 -8.349 -1.547 208 HA THR 25 HA THR 25 -5.068 -8.491 1.320 209 HB THR 25 HB THR 25 -3.350 -7.381 0.176 210 HG1 THR 25 1HG THR 25 -3.647 -5.172 0.893 211 HG21 THR 25 3HG2 THR 25 -4.109 -6.879 -1.936 212 HG22 THR 25 1HG2 THR 25 -3.928 -5.299 -1.181 213 HG23 THR 25 2HG2 THR 25 -5.527 -6.021 -1.332 214 H ALA 26 H ALA 26 -5.755 -6.129 2.278 215 HA ALA 26 HA ALA 26 -8.659 -6.109 2.082 216 HB1 ALA 26 1HB ALA 26 -7.218 -6.052 4.264 217 HB2 ALA 26 2HB ALA 26 -8.694 -5.092 4.155 218 HB3 ALA 26 3HB ALA 26 -7.125 -4.326 3.922 219 H GLU 27 H GLU 27 -9.802 -4.018 1.984 220 HA GLU 27 HA GLU 27 -8.693 -2.399 -0.137 221 HB2 GLU 27 2HB GLU 27 -10.951 -1.259 -0.020 222 HB3 GLU 27 1HB GLU 27 -10.969 -2.967 -0.437 223 HG2 GLU 27 2HG GLU 27 -11.232 -2.343 2.427 224 HG3 GLU 27 1HG GLU 27 -12.577 -1.851 1.399 225 H LYS 28 H LYS 28 -9.463 -2.076 3.257 226 HA LYS 28 HA LYS 28 -9.525 0.590 3.718 227 HB2 LYS 28 2HB LYS 28 -7.826 -1.241 5.409 228 HB3 LYS 28 1HB LYS 28 -8.688 0.202 5.918 229 HG2 LYS 28 2HG LYS 28 -9.892 -2.428 5.088 230 HG3 LYS 28 1HG LYS 28 -9.872 -1.717 6.703 231 HD2 LYS 28 2HD LYS 28 -11.026 0.252 5.145 232 HD3 LYS 28 1HD LYS 28 -11.687 -1.242 4.478 233 HE2 LYS 28 2HE LYS 28 -11.648 -0.733 7.434 234 HE3 LYS 28 1HE LYS 28 -12.944 -0.108 6.414 235 HZ1 LYS 28 3HZ LYS 28 -12.212 -2.934 6.896 236 HZ2 LYS 28 1HZ LYS 28 -13.228 -2.467 5.628 237 HZ3 LYS 28 2HZ LYS 28 -13.683 -2.167 7.229 238 H TYR 29 H TYR 29 -6.642 -1.275 2.925 239 HA TYR 29 HA TYR 29 -4.699 0.600 3.584 240 HB2 TYR 29 2HB TYR 29 -4.594 -1.325 1.244 241 HB3 TYR 29 1HB TYR 29 -3.222 -0.497 1.978 242 HD1 TYR 29 2HD TYR 29 -3.355 -0.783 4.734 243 HD2 TYR 29 1HD TYR 29 -4.678 -3.572 1.805 244 HE1 TYR 29 2HE TYR 29 -3.077 -2.608 6.356 245 HE2 TYR 29 1HE TYR 29 -4.404 -5.399 3.421 246 HH TYR 29 HH TYR 29 -3.167 -5.893 5.455 247 H PHE 30 H PHE 30 -6.240 0.214 0.354 248 HA PHE 30 HA PHE 30 -4.932 2.481 -0.705 249 HB2 PHE 30 2HB PHE 30 -6.319 2.291 -2.620 250 HB3 PHE 30 1HB PHE 30 -5.992 0.654 -2.075 251 HD1 PHE 30 1HD PHE 30 -8.572 3.323 -1.521 252 HD2 PHE 30 2HD PHE 30 -7.741 -0.801 -2.146 253 HE1 PHE 30 1HE PHE 30 -10.981 2.841 -1.522 254 HE2 PHE 30 2HE PHE 30 -10.150 -1.292 -2.141 255 HZ PHE 30 HZ PHE 30 -11.775 0.531 -1.831 256 H LYS 31 H LYS 31 -7.707 2.151 1.314 257 HA LYS 31 HA LYS 31 -8.729 4.794 0.710 258 HB2 LYS 31 2HB LYS 31 -9.546 2.531 2.453 259 HB3 LYS 31 1HB LYS 31 -10.049 4.141 2.950 260 HG2 LYS 31 2HG LYS 31 -10.747 4.202 0.348 261 HG3 LYS 31 1HG LYS 31 -10.953 2.485 0.695 262 HD2 LYS 31 2HD LYS 31 -12.101 4.609 2.482 263 HD3 LYS 31 1HD LYS 31 -12.967 4.024 1.060 264 HE2 LYS 31 2HE LYS 31 -13.807 2.632 2.682 265 HE3 LYS 31 1HE LYS 31 -12.453 1.673 2.087 266 HZ1 LYS 31 3HZ LYS 31 -12.061 3.510 4.352 267 HZ2 LYS 31 1HZ LYS 31 -11.212 2.100 3.961 268 HZ3 LYS 31 2HZ LYS 31 -12.769 1.997 4.615 269 H LEU 32 H LEU 32 -6.741 3.229 3.108 270 HA LEU 32 HA LEU 32 -6.694 5.462 4.909 271 HB2 LEU 32 2HB LEU 32 -5.760 2.731 4.855 272 HB3 LEU 32 1HB LEU 32 -4.491 3.805 5.434 273 HG LEU 32 HG LEU 32 -7.274 3.627 6.598 274 HD11 LEU 32 1HD1 LEU 32 -6.400 1.686 7.381 275 HD12 LEU 32 2HD1 LEU 32 -5.697 2.787 8.567 276 HD13 LEU 32 3HD1 LEU 32 -4.733 2.232 7.198 277 HD21 LEU 32 3HD2 LEU 32 -6.625 5.179 8.194 278 HD22 LEU 32 1HD2 LEU 32 -5.920 5.825 6.713 279 HD23 LEU 32 2HD2 LEU 32 -4.908 4.952 7.863 280 H ILE 33 H ILE 33 -4.713 4.282 2.266 281 HA ILE 33 HA ILE 33 -2.551 6.082 2.841 282 HB ILE 33 HB ILE 33 -1.683 5.370 0.600 283 HG12 ILE 33 2HG1 ILE 33 -3.201 2.985 0.316 284 HG13 ILE 33 1HG1 ILE 33 -4.336 4.329 0.361 285 HG21 ILE 33 1HG2 ILE 33 -1.091 3.109 1.374 286 HG22 ILE 33 2HG2 ILE 33 -2.317 3.243 2.634 287 HG23 ILE 33 3HG2 ILE 33 -0.927 4.327 2.638 288 HD11 ILE 33 3HD1 ILE 33 -2.794 5.409 -1.380 289 HD12 ILE 33 1HD1 ILE 33 -3.846 4.089 -1.890 290 HD13 ILE 33 2HD1 ILE 33 -2.136 3.789 -1.583 291 H ALA 34 H ALA 34 -5.131 5.950 0.386 292 HA ALA 34 HA ALA 34 -4.425 8.188 -1.090 293 HB1 ALA 34 1HB ALA 34 -6.541 8.106 -2.021 294 HB2 ALA 34 2HB ALA 34 -7.299 7.600 -0.510 295 HB3 ALA 34 3HB ALA 34 -6.329 6.455 -1.437 296 H ASN 35 H ASN 35 -5.788 7.944 2.082 297 HA ASN 35 HA ASN 35 -6.713 10.659 2.215 298 HB2 ASN 35 2HB ASN 35 -7.864 9.110 3.601 299 HB3 ASN 35 1HB ASN 35 -6.360 8.470 4.268 300 HD21 ASN 35 1HD2 ASN 35 -8.919 10.539 4.765 301 HD22 ASN 35 2HD2 ASN 35 -8.268 11.467 6.070 302 H ALA 36 H ALA 36 -3.755 8.951 2.891 303 HA ALA 36 HA ALA 36 -2.496 10.774 4.608 304 HB1 ALA 36 1HB ALA 36 -0.383 9.799 3.782 305 HB2 ALA 36 2HB ALA 36 -1.296 8.948 2.537 306 HB3 ALA 36 3HB ALA 36 -1.572 8.580 4.241 307 H LYS 37 H LYS 37 -1.510 12.693 4.297 308 HA LYS 37 HA LYS 37 -1.759 13.922 1.681 309 HB2 LYS 37 2HB LYS 37 -1.000 15.982 2.833 310 HB3 LYS 37 1HB LYS 37 -2.410 15.249 3.602 311 HG2 LYS 37 2HG LYS 37 -0.992 14.292 5.325 312 HG3 LYS 37 1HG LYS 37 0.438 14.974 4.546 313 HD2 LYS 37 2HD LYS 37 0.115 16.690 5.964 314 HD3 LYS 37 1HD LYS 37 -1.119 17.180 4.798 315 HE2 LYS 37 2HE LYS 37 -2.572 15.487 6.271 316 HE3 LYS 37 1HE LYS 37 -1.409 15.990 7.494 317 HZ1 LYS 37 3HZ LYS 37 -2.076 18.341 6.453 318 HZ2 LYS 37 1HZ LYS 37 -2.880 17.651 7.773 319 HZ3 LYS 37 2HZ LYS 37 -3.527 17.510 6.217 320 H THR 38 H THR 38 0.547 12.079 3.229 321 HA THR 38 HA THR 38 2.745 13.343 1.733 322 HB THR 38 HB THR 38 4.254 12.072 3.255 323 HG1 THR 38 1HG THR 38 3.306 10.506 4.273 324 HG21 THR 38 3HG2 THR 38 3.590 14.410 3.771 325 HG22 THR 38 1HG2 THR 38 4.027 13.441 5.180 326 HG23 THR 38 2HG2 THR 38 2.330 13.763 4.824 327 H VAL 39 H VAL 39 3.851 12.179 0.239 328 HA VAL 39 HA VAL 39 2.606 9.898 -0.879 329 HB VAL 39 HB VAL 39 4.559 9.790 -2.386 330 HG11 VAL 39 1HG1 VAL 39 3.890 11.584 -3.625 331 HG12 VAL 39 2HG1 VAL 39 3.909 12.684 -2.248 332 HG13 VAL 39 3HG1 VAL 39 2.576 11.548 -2.448 333 HG21 VAL 39 3HG2 VAL 39 6.330 10.405 -0.879 334 HG22 VAL 39 1HG2 VAL 39 5.620 12.000 -0.629 335 HG23 VAL 39 2HG2 VAL 39 6.285 11.568 -2.204 336 H GLU 40 H GLU 40 5.547 10.309 1.054 337 HA GLU 40 HA GLU 40 6.506 7.706 0.924 338 HB2 GLU 40 2HB GLU 40 7.234 8.351 3.448 339 HB3 GLU 40 1HB GLU 40 8.080 8.900 2.012 340 HG2 GLU 40 2HG GLU 40 7.002 11.025 2.100 341 HG3 GLU 40 1HG GLU 40 5.913 10.481 3.374 342 H GLY 41 H GLY 41 3.745 8.931 2.604 343 HA2 GLY 41 2HA GLY 41 3.532 6.763 4.479 344 HA3 GLY 41 1HA GLY 41 2.297 7.969 4.128 345 H VAL 42 H VAL 42 1.997 7.591 1.407 346 HA VAL 42 HA VAL 42 0.269 5.334 1.374 347 HB VAL 42 HB VAL 42 1.167 7.181 -0.838 348 HG11 VAL 42 1HG1 VAL 42 -1.067 6.188 -1.841 349 HG12 VAL 42 2HG1 VAL 42 -0.608 4.797 -0.861 350 HG13 VAL 42 3HG1 VAL 42 0.489 5.401 -2.100 351 HG21 VAL 42 3HG2 VAL 42 -0.177 8.565 0.311 352 HG22 VAL 42 1HG2 VAL 42 -0.948 7.249 1.196 353 HG23 VAL 42 2HG2 VAL 42 -1.476 7.639 -0.441 354 H TRP 43 H TRP 43 3.362 6.063 -0.228 355 HA TRP 43 HA TRP 43 3.501 3.659 -1.686 356 HB2 TRP 43 2HB TRP 43 5.567 5.670 -0.808 357 HB3 TRP 43 1HB TRP 43 6.056 4.207 -1.657 358 HD1 TRP 43 HD TRP 43 4.043 7.449 -2.204 359 HE1 TRP 43 1HE TRP 43 3.864 7.880 -4.729 360 HE3 TRP 43 3HE TRP 43 6.079 3.081 -3.926 361 HZ2 TRP 43 2HZ TRP 43 4.488 6.552 -7.134 362 HZ3 TRP 43 3HZ TRP 43 6.233 2.739 -6.359 363 HH2 TRP 43 HH TRP 43 5.459 4.441 -7.926 364 H THR 44 H THR 44 4.428 4.475 1.602 365 HA THR 44 HA THR 44 5.981 2.163 2.122 366 HB THR 44 HB THR 44 5.263 2.712 4.567 367 HG1 THR 44 1HG THR 44 4.002 4.360 4.831 368 HG21 THR 44 3HG2 THR 44 6.579 5.030 4.282 369 HG22 THR 44 1HG2 THR 44 7.026 4.233 2.774 370 HG23 THR 44 2HG2 THR 44 7.365 3.452 4.318 371 H LEU 45 H LEU 45 2.614 2.955 2.994 372 HA LEU 45 HA LEU 45 1.898 0.496 4.065 373 HB2 LEU 45 2HB LEU 45 0.445 2.764 2.831 374 HB3 LEU 45 1HB LEU 45 -0.431 1.249 2.938 375 HD11 LEU 45 1HD1 LEU 45 1.028 0.675 6.004 376 HD12 LEU 45 2HD1 LEU 45 -0.317 0.039 5.059 377 HD13 LEU 45 3HD1 LEU 45 -0.632 0.992 6.508 378 HD21 LEU 45 3HD2 LEU 45 0.539 4.161 5.283 379 HD22 LEU 45 1HD2 LEU 45 1.909 3.125 4.881 380 HD23 LEU 45 2HD2 LEU 45 1.120 2.973 6.451 381 H LYS 46 H LYS 46 2.091 1.558 0.731 382 HA LYS 46 HA LYS 46 0.765 -0.564 -0.519 383 HB2 LYS 46 2HB LYS 46 1.393 1.450 -1.732 384 HB3 LYS 46 1HB LYS 46 3.098 1.106 -1.479 385 HG2 LYS 46 2HG LYS 46 1.383 -0.868 -2.915 386 HG3 LYS 46 1HG LYS 46 1.989 0.561 -3.756 387 HD2 LYS 46 2HD LYS 46 4.266 -0.245 -2.619 388 HD3 LYS 46 1HD LYS 46 3.448 -1.806 -2.723 389 HE2 LYS 46 2HE LYS 46 4.029 -1.940 -4.860 390 HE3 LYS 46 1HE LYS 46 3.056 -0.509 -5.197 391 HZ1 LYS 46 3HZ LYS 46 5.069 0.804 -4.474 392 HZ2 LYS 46 1HZ LYS 46 5.204 -0.015 -5.949 393 HZ3 LYS 46 2HZ LYS 46 5.943 -0.641 -4.562 394 H ASP 47 H ASP 47 4.124 -0.184 0.512 395 HA ASP 47 HA ASP 47 5.153 -2.557 -0.560 396 HB2 ASP 47 2HB ASP 47 5.997 -1.215 2.019 397 HB3 ASP 47 1HB ASP 47 6.967 -2.312 1.039 398 H GLU 48 H GLU 48 3.320 -1.897 2.346 399 HA GLU 48 HA GLU 48 3.727 -4.421 3.590 400 HB2 GLU 48 2HB GLU 48 2.920 -2.317 4.725 401 HB3 GLU 48 1HB GLU 48 1.361 -2.578 3.954 402 HG2 GLU 48 2HG GLU 48 1.018 -4.604 5.147 403 HG3 GLU 48 1HG GLU 48 2.674 -4.593 5.751 404 H ILE 49 H ILE 49 1.666 -3.288 1.064 405 HA ILE 49 HA ILE 49 -0.299 -5.380 1.206 406 HB ILE 49 HB ILE 49 0.347 -3.747 -1.239 407 HG12 ILE 49 2HG1 ILE 49 0.181 -2.137 0.540 408 HG13 ILE 49 1HG1 ILE 49 -1.321 -2.093 -0.371 409 HG21 ILE 49 1HG2 ILE 49 -2.393 -4.468 -0.374 410 HG22 ILE 49 2HG2 ILE 49 -1.367 -5.746 -1.020 411 HG23 ILE 49 3HG2 ILE 49 -1.721 -4.320 -1.996 412 HD11 ILE 49 3HD1 ILE 49 -0.833 -3.316 2.324 413 HD12 ILE 49 1HD1 ILE 49 -2.296 -3.605 1.384 414 HD13 ILE 49 2HD1 ILE 49 -1.894 -1.971 1.912 415 H LYS 50 H LYS 50 2.707 -4.838 -0.559 416 HA LYS 50 HA LYS 50 2.411 -7.098 -2.279 417 HB2 LYS 50 2HB LYS 50 3.797 -5.137 -2.863 418 HB3 LYS 50 1HB LYS 50 4.909 -5.552 -1.567 419 HG2 LYS 50 2HG LYS 50 5.158 -7.804 -2.763 420 HG3 LYS 50 1HG LYS 50 4.405 -6.997 -4.140 421 HD2 LYS 50 2HD LYS 50 6.286 -5.176 -3.459 422 HD3 LYS 50 1HD LYS 50 7.090 -6.672 -2.989 423 HE2 LYS 50 2HE LYS 50 7.732 -6.390 -5.205 424 HE3 LYS 50 1HE LYS 50 6.392 -7.527 -5.315 425 HZ1 LYS 50 3HZ LYS 50 6.556 -4.755 -6.198 426 HZ2 LYS 50 1HZ LYS 50 5.078 -5.255 -5.559 427 HZ3 LYS 50 2HZ LYS 50 5.738 -6.064 -6.888 428 H THR 51 H THR 51 3.867 -6.558 0.866 429 HA THR 51 HA THR 51 4.968 -9.266 0.869 430 HB THR 51 HB THR 51 5.462 -8.064 3.361 431 HG1 THR 51 1HG THR 51 5.104 -6.033 2.782 432 HG21 THR 51 3HG2 THR 51 7.353 -8.000 1.042 433 HG22 THR 51 1HG2 THR 51 6.989 -9.469 1.947 434 HG23 THR 51 2HG2 THR 51 7.727 -8.089 2.761 435 H PHE 52 H PHE 52 2.796 -7.212 2.783 436 HA PHE 52 HA PHE 52 1.106 -7.695 4.219 437 HB2 PHE 52 2HB PHE 52 0.866 -9.466 2.010 438 HB3 PHE 52 1HB PHE 52 0.453 -10.368 3.462 439 HD1 PHE 52 2HD PHE 52 -0.155 -6.895 2.262 440 HD2 PHE 52 1HD PHE 52 -1.799 -10.496 3.808 441 HE1 PHE 52 2HE PHE 52 -2.397 -5.861 2.245 442 HE2 PHE 52 1HE PHE 52 -4.040 -9.487 3.802 443 HZ PHE 52 HZ PHE 52 -4.341 -7.175 3.019 444 H THR 53 H THR 53 3.938 -8.722 4.723 445 HA THR 53 HA THR 53 5.073 -9.849 6.322 446 HB THR 53 HB THR 53 2.366 -9.583 7.638 447 HG1 THR 53 1HG THR 53 3.763 -7.717 7.197 448 HG21 THR 53 3HG2 THR 53 3.116 -10.328 9.676 449 HG22 THR 53 1HG2 THR 53 4.816 -10.155 9.242 450 HG23 THR 53 2HG2 THR 53 3.867 -11.485 8.580 451 H VAL 54 H VAL 54 2.007 -11.460 7.039 452 HA VAL 54 HA VAL 54 3.268 -14.019 6.337 453 HB VAL 54 HB VAL 54 0.628 -13.917 7.717 454 HG11 VAL 54 1HG1 VAL 54 2.925 -15.757 7.453 455 HG12 VAL 54 2HG1 VAL 54 1.196 -16.092 7.506 456 HG13 VAL 54 3HG1 VAL 54 2.080 -15.763 8.997 457 HG21 VAL 54 3HG2 VAL 54 1.896 -12.229 8.923 458 HG22 VAL 54 1HG2 VAL 54 3.249 -13.342 9.098 459 HG23 VAL 54 2HG2 VAL 54 1.717 -13.678 9.907 460 H THR 55 H THR 55 1.649 -15.713 5.521 461 HA THR 55 HA THR 55 -0.208 -14.495 3.585 462 HB THR 55 HB THR 55 1.410 -16.953 2.945 463 HG1 THR 55 1HG THR 55 2.101 -14.262 2.364 464 HG21 THR 55 3HG2 THR 55 -0.032 -16.879 1.226 465 HG22 THR 55 1HG2 THR 55 1.063 -15.640 0.625 466 HG23 THR 55 2HG2 THR 55 -0.410 -15.173 1.471 467 H GLU 56 H GLU 56 -1.803 -16.100 2.723 468 HA GLU 56 HA GLU 56 -3.516 -17.549 3.066 469 HB2 GLU 56 2HB GLU 56 -1.347 -19.053 3.270 470 HB3 GLU 56 1HB GLU 56 -1.869 -19.184 4.947 471 HG2 GLU 56 2HG GLU 56 -3.584 -20.526 4.440 472 HG3 GLU 56 1HG GLU 56 -3.985 -19.640 2.973 Start of MODEL 10 1 H1 THR 1 1HT THR 1 -3.103 18.264 -17.370 2 H2 THR 1 2HT THR 1 -1.491 17.947 -17.866 3 H3 THR 1 3HT THR 1 -2.212 17.000 -16.629 4 HA THR 1 HA THR 1 -2.229 15.717 -18.543 5 HB THR 1 HB THR 1 -4.983 16.935 -18.390 6 HG1 THR 1 1HG THR 1 -3.733 15.238 -16.494 7 HG21 THR 1 3HG2 THR 1 -5.814 14.772 -18.724 8 HG22 THR 1 1HG2 THR 1 -4.243 14.032 -18.420 9 HG23 THR 1 2HG2 THR 1 -4.510 14.960 -19.897 10 H THR 2 H THR 2 -3.827 18.829 -19.205 11 HA THR 2 HA THR 2 -3.353 18.414 -22.071 12 HB THR 2 HB THR 2 -5.043 20.537 -20.739 13 HG1 THR 2 1HG THR 2 -6.661 19.179 -20.774 14 HG21 THR 2 3HG2 THR 2 -6.132 20.096 -23.175 15 HG22 THR 2 1HG2 THR 2 -4.414 19.910 -23.526 16 HG23 THR 2 2HG2 THR 2 -5.009 21.402 -22.796 17 H TYR 3 H TYR 3 -2.529 20.469 -19.373 18 HA TYR 3 HA TYR 3 -0.527 21.791 -21.056 19 HB2 TYR 3 2HB TYR 3 -2.836 23.076 -20.132 20 HB3 TYR 3 1HB TYR 3 -1.555 23.613 -19.049 21 HD1 TYR 3 1HD TYR 3 0.772 23.900 -20.670 22 HD2 TYR 3 2HD TYR 3 -3.276 24.703 -21.702 23 HE1 TYR 3 1HE TYR 3 1.530 25.514 -22.365 24 HE2 TYR 3 2HE TYR 3 -2.530 26.317 -23.400 25 HH TYR 3 HH TYR 3 -0.110 27.808 -23.585 26 H LYS 4 H LYS 4 -1.694 21.258 -17.742 27 HA LYS 4 HA LYS 4 1.105 21.316 -16.830 28 HB2 LYS 4 2HB LYS 4 0.264 21.875 -14.619 29 HB3 LYS 4 1HB LYS 4 -0.337 23.029 -15.803 30 HG2 LYS 4 2HG LYS 4 -2.360 21.263 -15.822 31 HG3 LYS 4 1HG LYS 4 -1.791 21.061 -14.162 32 HD2 LYS 4 2HD LYS 4 -2.120 23.366 -13.682 33 HD3 LYS 4 1HD LYS 4 -2.380 23.750 -15.384 34 HE2 LYS 4 2HE LYS 4 -4.192 21.739 -14.204 35 HE3 LYS 4 1HE LYS 4 -4.375 23.388 -13.616 36 HZ1 LYS 4 3HZ LYS 4 -5.787 22.853 -15.554 37 HZ2 LYS 4 1HZ LYS 4 -4.391 22.642 -16.487 38 HZ3 LYS 4 2HZ LYS 4 -4.748 24.159 -15.828 39 H LEU 5 H LEU 5 1.960 19.399 -16.399 40 HA LEU 5 HA LEU 5 0.542 16.987 -16.386 41 HB2 LEU 5 2HB LEU 5 3.260 17.667 -15.267 42 HB3 LEU 5 1HB LEU 5 2.644 16.034 -15.404 43 HG LEU 5 HG LEU 5 4.114 17.482 -17.310 44 HD11 LEU 5 1HD1 LEU 5 4.284 15.115 -16.972 45 HD12 LEU 5 2HD1 LEU 5 3.827 15.421 -18.647 46 HD13 LEU 5 3HD1 LEU 5 2.614 14.878 -17.488 47 HD21 LEU 5 3HD2 LEU 5 2.593 17.288 -19.296 48 HD22 LEU 5 1HD2 LEU 5 2.197 18.594 -18.179 49 HD23 LEU 5 2HD2 LEU 5 1.250 17.106 -18.170 50 H ILE 6 H ILE 6 -1.123 16.842 -14.958 51 HA ILE 6 HA ILE 6 -1.090 17.737 -12.299 52 HB ILE 6 HB ILE 6 -3.161 17.274 -13.528 53 HG12 ILE 6 2HG1 ILE 6 -4.321 15.970 -11.686 54 HG13 ILE 6 1HG1 ILE 6 -2.731 15.742 -10.964 55 HG21 ILE 6 1HG2 ILE 6 -3.746 15.277 -14.390 56 HG22 ILE 6 2HG2 ILE 6 -3.046 14.371 -13.049 57 HG23 ILE 6 3HG2 ILE 6 -2.008 14.979 -14.340 58 HD11 ILE 6 3HD1 ILE 6 -4.500 17.951 -10.734 59 HD12 ILE 6 1HD1 ILE 6 -3.010 18.493 -11.507 60 HD13 ILE 6 2HD1 ILE 6 -2.948 17.684 -9.940 61 H LEU 7 H LEU 7 0.282 17.042 -10.798 62 HA LEU 7 HA LEU 7 0.645 14.138 -10.477 63 HB2 LEU 7 2HB LEU 7 2.950 14.511 -9.793 64 HB3 LEU 7 1HB LEU 7 2.680 15.100 -11.422 65 HG LEU 7 HG LEU 7 2.284 17.202 -9.460 66 HD11 LEU 7 1HD1 LEU 7 5.143 16.480 -9.634 67 HD12 LEU 7 2HD1 LEU 7 4.149 15.519 -8.540 68 HD13 LEU 7 3HD1 LEU 7 4.245 17.269 -8.337 69 HD21 LEU 7 3HD2 LEU 7 3.645 16.740 -12.037 70 HD22 LEU 7 1HD2 LEU 7 4.323 18.007 -11.013 71 HD23 LEU 7 2HD2 LEU 7 2.632 18.083 -11.509 72 H ASN 8 H ASN 8 0.335 13.368 -8.458 73 HA ASN 8 HA ASN 8 0.687 14.907 -6.094 74 HB2 ASN 8 2HB ASN 8 -1.874 15.097 -7.422 75 HB3 ASN 8 1HB ASN 8 -2.055 14.366 -5.824 76 HD21 ASN 8 1HD2 ASN 8 -1.284 17.215 -7.602 77 HD22 ASN 8 2HD2 ASN 8 -1.191 18.291 -6.254 78 H LEU 9 H LEU 9 -0.936 13.684 -4.340 79 HA LEU 9 HA LEU 9 0.275 11.364 -3.630 80 HB2 LEU 9 2HB LEU 9 -2.651 11.454 -3.125 81 HB3 LEU 9 1HB LEU 9 -1.335 11.094 -2.025 82 HG LEU 9 HG LEU 9 -2.186 13.832 -2.963 83 HD11 LEU 9 1HD1 LEU 9 -2.773 14.180 -0.639 84 HD12 LEU 9 2HD1 LEU 9 -2.272 12.534 -0.249 85 HD13 LEU 9 3HD1 LEU 9 -3.656 12.807 -1.306 86 HD21 LEU 9 3HD2 LEU 9 0.236 13.732 -2.731 87 HD22 LEU 9 1HD2 LEU 9 0.066 13.028 -1.124 88 HD23 LEU 9 2HD2 LEU 9 -0.476 14.677 -1.425 89 H LYS 10 H LYS 10 -2.253 11.735 -6.004 90 HA LYS 10 HA LYS 10 -3.398 9.341 -6.351 91 HB2 LYS 10 2HB LYS 10 -2.156 10.818 -8.669 92 HB3 LYS 10 1HB LYS 10 -3.572 9.779 -8.705 93 HG2 LYS 10 2HG LYS 10 -3.324 12.493 -7.433 94 HG3 LYS 10 1HG LYS 10 -4.312 12.035 -8.819 95 HD2 LYS 10 2HD LYS 10 -5.785 10.764 -7.469 96 HD3 LYS 10 1HD LYS 10 -4.688 10.827 -6.088 97 HE2 LYS 10 2HE LYS 10 -6.539 12.350 -5.748 98 HE3 LYS 10 1HE LYS 10 -5.038 13.255 -5.943 99 HZ1 LYS 10 3HZ LYS 10 -6.276 14.425 -7.387 100 HZ2 LYS 10 1HZ LYS 10 -7.387 13.175 -7.643 101 HZ3 LYS 10 2HZ LYS 10 -5.906 13.170 -8.459 102 H GLN 11 H GLN 11 -0.153 10.094 -7.654 103 HA GLN 11 HA GLN 11 0.438 7.706 -8.865 104 HB2 GLN 11 2HB GLN 11 2.856 8.186 -8.076 105 HB3 GLN 11 1HB GLN 11 2.060 9.358 -9.117 106 HG2 GLN 11 2HG GLN 11 2.111 10.957 -7.561 107 HG3 GLN 11 1HG GLN 11 1.658 9.847 -6.265 108 HE21 GLN 11 1HE2 GLN 11 4.312 11.115 -8.156 109 HE22 GLN 11 2HE2 GLN 11 5.565 10.680 -7.049 110 H ALA 12 H ALA 12 0.522 8.460 -5.432 111 HA ALA 12 HA ALA 12 1.570 5.856 -4.727 112 HB1 ALA 12 1HB ALA 12 1.813 8.226 -3.525 113 HB2 ALA 12 2HB ALA 12 1.918 6.697 -2.655 114 HB3 ALA 12 3HB ALA 12 0.410 7.611 -2.649 115 H LYS 13 H LYS 13 -1.533 7.539 -4.694 116 HA LYS 13 HA LYS 13 -2.972 5.659 -3.198 117 HB2 LYS 13 2HB LYS 13 -4.419 7.351 -3.416 118 HB3 LYS 13 1HB LYS 13 -3.561 7.993 -4.808 119 HG2 LYS 13 2HG LYS 13 -5.398 5.657 -5.136 120 HG3 LYS 13 1HG LYS 13 -6.046 7.294 -5.021 121 HD2 LYS 13 2HD LYS 13 -5.224 7.910 -7.040 122 HD3 LYS 13 1HD LYS 13 -3.780 6.910 -6.869 123 HE2 LYS 13 2HE LYS 13 -5.054 4.920 -7.395 124 HE3 LYS 13 1HE LYS 13 -6.546 5.858 -7.453 125 HZ1 LYS 13 3HZ LYS 13 -4.415 6.771 -9.200 126 HZ2 LYS 13 1HZ LYS 13 -6.077 6.639 -9.493 127 HZ3 LYS 13 2HZ LYS 13 -5.088 5.272 -9.599 128 H GLU 14 H GLU 14 -2.084 5.826 -6.579 129 HA GLU 14 HA GLU 14 -3.651 3.549 -7.364 130 HB2 GLU 14 2HB GLU 14 -2.506 3.746 -9.504 131 HB3 GLU 14 1HB GLU 14 -3.054 5.327 -8.969 132 HG2 GLU 14 2HG GLU 14 -0.894 6.036 -8.457 133 HG3 GLU 14 1HG GLU 14 -0.261 4.391 -8.435 134 H GLU 15 H GLU 15 -0.411 4.171 -6.231 135 HA GLU 15 HA GLU 15 0.917 1.845 -6.945 136 HB2 GLU 15 2HB GLU 15 1.167 3.892 -4.842 137 HB3 GLU 15 1HB GLU 15 1.890 2.342 -4.436 138 HG2 GLU 15 2HG GLU 15 2.497 4.007 -6.867 139 HG3 GLU 15 1HG GLU 15 3.506 3.837 -5.427 140 H ALA 16 H ALA 16 -1.021 2.489 -4.038 141 HA ALA 16 HA ALA 16 -0.819 -0.196 -3.061 142 HB1 ALA 16 1HB ALA 16 -2.817 1.890 -2.218 143 HB2 ALA 16 2HB ALA 16 -1.151 1.852 -1.640 144 HB3 ALA 16 3HB ALA 16 -2.238 0.507 -1.291 145 H ILE 17 H ILE 17 -3.299 1.699 -4.736 146 HA ILE 17 HA ILE 17 -5.361 -0.179 -4.668 147 HB ILE 17 HB ILE 17 -4.688 2.086 -6.513 148 HG12 ILE 17 2HG1 ILE 17 -7.045 1.477 -4.721 149 HG13 ILE 17 1HG1 ILE 17 -5.712 2.566 -4.352 150 HG21 ILE 17 1HG2 ILE 17 -6.796 1.724 -7.754 151 HG22 ILE 17 2HG2 ILE 17 -6.960 0.152 -6.976 152 HG23 ILE 17 3HG2 ILE 17 -5.599 0.466 -8.054 153 HD11 ILE 17 3HD1 ILE 17 -6.441 3.841 -6.453 154 HD12 ILE 17 1HD1 ILE 17 -7.430 3.980 -4.999 155 HD13 ILE 17 2HD1 ILE 17 -7.938 2.920 -6.314 156 H LYS 18 H LYS 18 -2.778 0.301 -7.062 157 HA LYS 18 HA LYS 18 -3.546 -1.698 -8.861 158 HB2 LYS 18 2HB LYS 18 -1.653 0.146 -8.951 159 HB3 LYS 18 1HB LYS 18 -0.647 -1.169 -8.361 160 HG2 LYS 18 2HG LYS 18 -2.273 -2.042 -10.572 161 HG3 LYS 18 1HG LYS 18 -1.332 -0.614 -11.003 162 HD2 LYS 18 2HD LYS 18 -0.175 -3.085 -9.717 163 HD3 LYS 18 1HD LYS 18 -0.177 -2.780 -11.456 164 HE2 LYS 18 2HE LYS 18 1.142 -1.082 -9.340 165 HE3 LYS 18 1HE LYS 18 1.958 -2.153 -10.477 166 HZ1 LYS 18 3HZ LYS 18 0.429 0.304 -11.135 167 HZ2 LYS 18 1HZ LYS 18 1.043 -0.770 -12.290 168 HZ3 LYS 18 2HZ LYS 18 2.100 0.077 -11.277 169 H GLU 19 H GLU 19 -1.417 -1.840 -6.025 170 HA GLU 19 HA GLU 19 -0.809 -4.608 -6.341 171 HB2 GLU 19 2HB GLU 19 -0.619 -3.028 -3.778 172 HB3 GLU 19 1HB GLU 19 0.322 -4.439 -4.254 173 HG2 GLU 19 2HG GLU 19 0.542 -2.125 -6.051 174 HG3 GLU 19 1HG GLU 19 1.184 -1.885 -4.428 175 H LEU 20 H LEU 20 -3.256 -2.786 -4.600 176 HA LEU 20 HA LEU 20 -4.193 -5.004 -3.075 177 HB2 LEU 20 2HB LEU 20 -4.929 -2.196 -3.430 178 HB3 LEU 20 1HB LEU 20 -6.303 -3.248 -3.152 179 HG LEU 20 HG LEU 20 -5.087 -4.100 -1.086 180 HD11 LEU 20 1HD1 LEU 20 -2.867 -3.190 -1.893 181 HD12 LEU 20 2HD1 LEU 20 -3.280 -2.904 -0.203 182 HD13 LEU 20 3HD1 LEU 20 -3.452 -1.605 -1.384 183 HD21 LEU 20 3HD2 LEU 20 -5.678 -2.099 0.241 184 HD22 LEU 20 1HD2 LEU 20 -6.943 -2.586 -0.885 185 HD23 LEU 20 2HD2 LEU 20 -5.908 -1.210 -1.259 186 H VAL 21 H VAL 21 -4.781 -3.853 -6.277 187 HA VAL 21 HA VAL 21 -7.272 -5.279 -6.593 188 HB VAL 21 HB VAL 21 -5.491 -3.986 -8.670 189 HG11 VAL 21 1HG1 VAL 21 -6.710 -5.318 -10.036 190 HG12 VAL 21 2HG1 VAL 21 -7.913 -4.047 -9.817 191 HG13 VAL 21 3HG1 VAL 21 -8.007 -5.524 -8.859 192 HG21 VAL 21 3HG2 VAL 21 -6.520 -2.034 -8.281 193 HG22 VAL 21 1HG2 VAL 21 -6.966 -2.745 -6.730 194 HG23 VAL 21 2HG2 VAL 21 -8.098 -2.796 -8.082 195 H ASP 22 H ASP 22 -3.877 -5.834 -7.174 196 HA ASP 22 HA ASP 22 -4.247 -8.157 -8.813 197 HB2 ASP 22 2HB ASP 22 -2.105 -6.471 -8.174 198 HB3 ASP 22 1HB ASP 22 -1.663 -8.037 -7.502 199 H ALA 23 H ALA 23 -4.106 -7.532 -5.408 200 HA ALA 23 HA ALA 23 -4.356 -10.425 -4.917 201 HB1 ALA 23 1HB ALA 23 -2.651 -10.560 -3.447 202 HB2 ALA 23 2HB ALA 23 -2.938 -8.946 -2.800 203 HB3 ALA 23 3HB ALA 23 -2.043 -9.147 -4.308 204 H GLY 24 H GLY 24 -5.508 -10.981 -2.947 205 HA2 GLY 24 2HA GLY 24 -7.823 -9.484 -2.545 206 HA3 GLY 24 1HA GLY 24 -7.239 -10.738 -1.454 207 H THR 25 H THR 25 -4.985 -9.706 -0.365 208 HA THR 25 HA THR 25 -4.516 -8.510 1.545 209 HB THR 25 HB THR 25 -3.244 -7.263 0.107 210 HG1 THR 25 1HG THR 25 -4.339 -5.945 1.900 211 HG21 THR 25 3HG2 THR 25 -4.145 -5.631 -1.508 212 HG22 THR 25 1HG2 THR 25 -5.756 -6.254 -1.169 213 HG23 THR 25 2HG2 THR 25 -4.528 -7.310 -1.868 214 H ALA 26 H ALA 26 -6.163 -5.612 0.615 215 HA ALA 26 HA ALA 26 -8.699 -5.987 1.689 216 HB1 ALA 26 1HB ALA 26 -8.584 -5.749 3.910 217 HB2 ALA 26 2HB ALA 26 -7.326 -4.520 3.817 218 HB3 ALA 26 3HB ALA 26 -6.897 -6.226 3.716 219 H GLU 27 H GLU 27 -9.877 -4.299 1.058 220 HA GLU 27 HA GLU 27 -8.827 -2.123 -0.312 221 HB2 GLU 27 2HB GLU 27 -11.164 -1.108 0.120 222 HB3 GLU 27 1HB GLU 27 -11.049 -2.602 -0.802 223 HG2 GLU 27 2HG GLU 27 -11.919 -3.880 0.908 224 HG3 GLU 27 1HG GLU 27 -11.475 -2.708 2.149 225 H LYS 28 H LYS 28 -9.625 -2.448 3.077 226 HA LYS 28 HA LYS 28 -9.777 0.126 3.963 227 HB2 LYS 28 2HB LYS 28 -8.162 -1.957 5.423 228 HB3 LYS 28 1HB LYS 28 -9.066 -0.615 6.111 229 HG2 LYS 28 2HG LYS 28 -10.229 -3.040 4.755 230 HG3 LYS 28 1HG LYS 28 -10.241 -2.687 6.483 231 HD2 LYS 28 2HD LYS 28 -11.335 -0.465 5.035 232 HD3 LYS 28 1HD LYS 28 -12.157 -1.951 4.555 233 HE2 LYS 28 2HE LYS 28 -13.419 -1.517 6.374 234 HE3 LYS 28 1HE LYS 28 -12.084 -2.297 7.222 235 HZ1 LYS 28 3HZ LYS 28 -11.221 0.226 7.111 236 HZ2 LYS 28 1HZ LYS 28 -12.105 -0.403 8.402 237 HZ3 LYS 28 2HZ LYS 28 -12.889 0.487 7.205 238 H TYR 29 H TYR 29 -6.942 -1.385 2.655 239 HA TYR 29 HA TYR 29 -5.130 0.507 3.850 240 HB2 TYR 29 2HB TYR 29 -4.491 -1.358 1.562 241 HB3 TYR 29 1HB TYR 29 -3.369 -0.596 2.690 242 HD1 TYR 29 2HD TYR 29 -4.013 -1.121 5.269 243 HD2 TYR 29 1HD TYR 29 -4.904 -3.600 1.930 244 HE1 TYR 29 2HE TYR 29 -4.167 -3.063 6.756 245 HE2 TYR 29 1HE TYR 29 -5.069 -5.545 3.406 246 HH TYR 29 HH TYR 29 -5.511 -6.013 5.800 247 H PHE 30 H PHE 30 -6.184 -0.035 0.441 248 HA PHE 30 HA PHE 30 -4.796 2.161 -0.573 249 HB2 PHE 30 2HB PHE 30 -6.226 2.082 -2.526 250 HB3 PHE 30 1HB PHE 30 -5.782 0.457 -2.040 251 HD1 PHE 30 1HD PHE 30 -8.548 2.843 -1.154 252 HD2 PHE 30 2HD PHE 30 -7.423 -1.060 -2.431 253 HE1 PHE 30 1HE PHE 30 -10.912 2.184 -1.210 254 HE2 PHE 30 2HE PHE 30 -9.790 -1.724 -2.483 255 HZ PHE 30 HZ PHE 30 -11.538 -0.101 -1.876 256 H LYS 31 H LYS 31 -7.686 2.067 1.304 257 HA LYS 31 HA LYS 31 -8.476 4.761 0.578 258 HB2 LYS 31 2HB LYS 31 -10.210 4.467 2.328 259 HB3 LYS 31 1HB LYS 31 -10.244 3.200 1.108 260 HG2 LYS 31 2HG LYS 31 -9.517 1.587 2.565 261 HG3 LYS 31 1HG LYS 31 -8.688 2.749 3.603 262 HD2 LYS 31 2HD LYS 31 -11.580 3.153 3.461 263 HD3 LYS 31 1HD LYS 31 -11.114 1.590 4.134 264 HE2 LYS 31 2HE LYS 31 -10.266 2.509 6.007 265 HE3 LYS 31 1HE LYS 31 -9.572 3.878 5.141 266 HZ1 LYS 31 3HZ LYS 31 -11.191 4.987 6.211 267 HZ2 LYS 31 1HZ LYS 31 -12.162 3.619 6.425 268 HZ3 LYS 31 2HZ LYS 31 -12.164 4.433 4.943 269 H LEU 32 H LEU 32 -6.734 3.110 3.101 270 HA LEU 32 HA LEU 32 -6.650 5.316 4.914 271 HB2 LEU 32 2HB LEU 32 -5.855 2.581 4.889 272 HB3 LEU 32 1HB LEU 32 -4.455 3.547 5.336 273 HG LEU 32 HG LEU 32 -7.127 3.791 6.716 274 HD11 LEU 32 1HD1 LEU 32 -5.970 2.487 8.543 275 HD12 LEU 32 2HD1 LEU 32 -4.775 2.025 7.334 276 HD13 LEU 32 3HD1 LEU 32 -6.465 1.564 7.125 277 HD21 LEU 32 3HD2 LEU 32 -6.107 5.202 8.185 278 HD22 LEU 32 1HD2 LEU 32 -5.162 5.570 6.742 279 HD23 LEU 32 2HD2 LEU 32 -4.518 4.470 7.960 280 H ILE 33 H ILE 33 -4.724 4.231 2.218 281 HA ILE 33 HA ILE 33 -2.535 6.008 2.849 282 HB ILE 33 HB ILE 33 -1.621 5.262 0.634 283 HG12 ILE 33 2HG1 ILE 33 -3.115 2.864 0.358 284 HG13 ILE 33 1HG1 ILE 33 -4.264 4.195 0.373 285 HG21 ILE 33 1HG2 ILE 33 -1.117 4.249 2.888 286 HG22 ILE 33 2HG2 ILE 33 -0.813 3.217 1.489 287 HG23 ILE 33 3HG2 ILE 33 -2.258 2.972 2.468 288 HD11 ILE 33 3HD1 ILE 33 -3.734 3.919 -1.870 289 HD12 ILE 33 1HD1 ILE 33 -2.020 3.679 -1.529 290 HD13 ILE 33 2HD1 ILE 33 -2.734 5.281 -1.360 291 H ALA 34 H ALA 34 -5.094 5.820 0.384 292 HA ALA 34 HA ALA 34 -4.360 8.013 -1.152 293 HB1 ALA 34 1HB ALA 34 -7.246 7.464 -0.621 294 HB2 ALA 34 2HB ALA 34 -6.267 6.255 -1.452 295 HB3 ALA 34 3HB ALA 34 -6.438 7.871 -2.135 296 H ASN 35 H ASN 35 -5.755 7.867 2.008 297 HA ASN 35 HA ASN 35 -6.677 10.594 2.022 298 HB2 ASN 35 2HB ASN 35 -7.904 9.084 3.389 299 HB3 ASN 35 1HB ASN 35 -6.437 8.462 4.151 300 HD21 ASN 35 1HD2 ASN 35 -9.044 10.391 4.594 301 HD22 ASN 35 2HD2 ASN 35 -8.443 11.420 5.845 302 H ALA 36 H ALA 36 -3.707 8.968 2.601 303 HA ALA 36 HA ALA 36 -2.545 10.860 4.397 304 HB1 ALA 36 1HB ALA 36 -0.436 9.741 3.887 305 HB2 ALA 36 2HB ALA 36 -1.218 8.862 2.574 306 HB3 ALA 36 3HB ALA 36 -1.710 8.578 4.245 307 H LYS 37 H LYS 37 -2.250 12.919 3.823 308 HA LYS 37 HA LYS 37 -2.079 13.876 1.198 309 HB2 LYS 37 2HB LYS 37 -1.665 14.979 3.906 310 HB3 LYS 37 1HB LYS 37 -0.802 15.820 2.618 311 HG2 LYS 37 2HG LYS 37 -2.889 16.169 1.422 312 HG3 LYS 37 1HG LYS 37 -3.766 15.283 2.671 313 HD2 LYS 37 2HD LYS 37 -2.548 17.091 4.218 314 HD3 LYS 37 1HD LYS 37 -2.631 18.020 2.720 315 HE2 LYS 37 2HE LYS 37 -5.042 16.600 3.793 316 HE3 LYS 37 1HE LYS 37 -4.583 18.193 4.399 317 HZ1 LYS 37 3HZ LYS 37 -6.223 18.068 2.467 318 HZ2 LYS 37 1HZ LYS 37 -4.881 17.697 1.505 319 HZ3 LYS 37 2HZ LYS 37 -4.946 19.163 2.336 320 H THR 38 H THR 38 0.289 12.401 3.201 321 HA THR 38 HA THR 38 2.502 13.423 1.592 322 HB THR 38 HB THR 38 3.875 12.007 3.217 323 HG1 THR 38 1HG THR 38 1.480 12.018 4.722 324 HG21 THR 38 3HG2 THR 38 3.954 14.273 3.678 325 HG22 THR 38 1HG2 THR 38 3.400 13.559 5.193 326 HG23 THR 38 2HG2 THR 38 2.247 14.344 4.113 327 H VAL 39 H VAL 39 3.708 12.189 0.221 328 HA VAL 39 HA VAL 39 2.454 9.865 -0.867 329 HB VAL 39 HB VAL 39 4.382 9.769 -2.396 330 HG11 VAL 39 1HG1 VAL 39 4.121 12.257 -3.201 331 HG12 VAL 39 2HG1 VAL 39 2.860 12.294 -1.967 332 HG13 VAL 39 3HG1 VAL 39 2.767 11.130 -3.289 333 HG21 VAL 39 3HG2 VAL 39 5.436 12.039 -0.712 334 HG22 VAL 39 1HG2 VAL 39 6.090 11.564 -2.279 335 HG23 VAL 39 2HG2 VAL 39 6.160 10.444 -0.918 336 H GLU 40 H GLU 40 5.370 10.440 1.060 337 HA GLU 40 HA GLU 40 6.447 7.887 0.991 338 HB2 GLU 40 2HB GLU 40 7.439 8.474 3.250 339 HB3 GLU 40 1HB GLU 40 7.787 9.581 1.933 340 HG2 GLU 40 2HG GLU 40 5.868 10.993 2.799 341 HG3 GLU 40 1HG GLU 40 5.900 9.962 4.231 342 H GLY 41 H GLY 41 3.611 9.004 2.631 343 HA2 GLY 41 2HA GLY 41 3.515 6.854 4.544 344 HA3 GLY 41 1HA GLY 41 2.230 8.006 4.198 345 H VAL 42 H VAL 42 2.144 7.506 1.386 346 HA VAL 42 HA VAL 42 0.421 5.210 1.412 347 HB VAL 42 HB VAL 42 1.261 7.052 -0.826 348 HG11 VAL 42 1HG1 VAL 42 0.601 5.252 -2.061 349 HG12 VAL 42 2HG1 VAL 42 -0.971 6.002 -1.785 350 HG13 VAL 42 3HG1 VAL 42 -0.460 4.633 -0.798 351 HG21 VAL 42 3HG2 VAL 42 -1.356 7.522 -0.450 352 HG22 VAL 42 1HG2 VAL 42 -0.079 8.420 0.368 353 HG23 VAL 42 2HG2 VAL 42 -0.886 7.087 1.193 354 H TRP 43 H TRP 43 3.528 6.039 -0.095 355 HA TRP 43 HA TRP 43 3.752 3.613 -1.545 356 HB2 TRP 43 2HB TRP 43 5.717 5.764 -0.769 357 HB3 TRP 43 1HB TRP 43 6.264 4.313 -1.604 358 HD1 TRP 43 HD TRP 43 4.051 7.421 -2.151 359 HE1 TRP 43 1HE TRP 43 3.766 7.785 -4.675 360 HE3 TRP 43 3HE TRP 43 6.286 3.142 -3.851 361 HZ2 TRP 43 2HZ TRP 43 4.388 6.445 -7.070 362 HZ3 TRP 43 3HZ TRP 43 6.382 2.759 -6.281 363 HH2 TRP 43 HH TRP 43 5.456 4.379 -7.854 364 H THR 44 H THR 44 4.603 4.532 1.727 365 HA THR 44 HA THR 44 6.274 2.238 2.184 366 HB THR 44 HB THR 44 6.607 4.237 3.542 367 HG1 THR 44 1HG THR 44 6.941 2.088 4.449 368 HG21 THR 44 3HG2 THR 44 5.086 5.115 5.069 369 HG22 THR 44 1HG2 THR 44 4.023 3.712 4.957 370 HG23 THR 44 2HG2 THR 44 4.129 4.847 3.613 371 H LEU 45 H LEU 45 2.968 3.144 3.165 372 HA LEU 45 HA LEU 45 2.333 0.728 4.439 373 HB2 LEU 45 2HB LEU 45 1.046 2.999 4.329 374 HB3 LEU 45 1HB LEU 45 0.287 2.298 2.913 375 HD11 LEU 45 1HD1 LEU 45 1.336 1.390 6.187 376 HD12 LEU 45 2HD1 LEU 45 -0.005 0.325 6.608 377 HD13 LEU 45 3HD1 LEU 45 -0.186 2.073 6.760 378 HD21 LEU 45 3HD2 LEU 45 -2.195 1.594 3.904 379 HD22 LEU 45 1HD2 LEU 45 -1.461 3.090 4.481 380 HD23 LEU 45 2HD2 LEU 45 -2.104 1.923 5.634 381 H LYS 46 H LYS 46 2.347 1.701 1.092 382 HA LYS 46 HA LYS 46 0.874 -0.451 0.016 383 HB2 LYS 46 2HB LYS 46 1.306 1.558 -1.287 384 HB3 LYS 46 1HB LYS 46 3.038 1.267 -1.217 385 HG2 LYS 46 2HG LYS 46 1.903 -1.058 -2.301 386 HG3 LYS 46 1HG LYS 46 1.108 0.301 -3.096 387 HD2 LYS 46 2HD LYS 46 2.936 0.062 -4.453 388 HD3 LYS 46 1HD LYS 46 3.580 1.203 -3.270 389 HE2 LYS 46 2HE LYS 46 3.872 -1.656 -2.607 390 HE3 LYS 46 1HE LYS 46 4.818 -1.084 -3.979 391 HZ1 LYS 46 3HZ LYS 46 5.897 -0.951 -1.715 392 HZ2 LYS 46 1HZ LYS 46 4.827 0.314 -1.371 393 HZ3 LYS 46 2HZ LYS 46 5.933 0.463 -2.642 394 H ASP 47 H ASP 47 4.281 0.008 0.796 395 HA ASP 47 HA ASP 47 5.284 -2.328 -0.402 396 HB2 ASP 47 2HB ASP 47 6.519 -0.301 0.719 397 HB3 ASP 47 1HB ASP 47 6.415 -1.287 2.174 398 H GLU 48 H GLU 48 3.793 -1.706 2.719 399 HA GLU 48 HA GLU 48 4.310 -4.215 3.900 400 HB2 GLU 48 2HB GLU 48 3.377 -2.008 4.939 401 HB3 GLU 48 1HB GLU 48 1.810 -2.654 4.473 402 HG2 GLU 48 2HG GLU 48 2.136 -3.269 6.710 403 HG3 GLU 48 1HG GLU 48 2.411 -4.727 5.756 404 H ILE 49 H ILE 49 1.746 -3.032 1.807 405 HA ILE 49 HA ILE 49 0.194 -5.454 1.956 406 HB ILE 49 HB ILE 49 -0.029 -3.290 -0.131 407 HG12 ILE 49 2HG1 ILE 49 -0.159 -2.165 1.985 408 HG13 ILE 49 1HG1 ILE 49 -1.798 -2.328 1.370 409 HG21 ILE 49 1HG2 ILE 49 -2.502 -4.446 0.697 410 HG22 ILE 49 2HG2 ILE 49 -1.375 -5.732 0.269 411 HG23 ILE 49 3HG2 ILE 49 -1.745 -4.461 -0.895 412 HD11 ILE 49 3HD1 ILE 49 -0.636 -4.275 3.328 413 HD12 ILE 49 1HD1 ILE 49 -2.328 -3.995 2.924 414 HD13 ILE 49 2HD1 ILE 49 -1.427 -2.784 3.834 415 H LYS 50 H LYS 50 2.739 -4.173 -0.041 416 HA LYS 50 HA LYS 50 2.390 -5.801 -2.310 417 HB2 LYS 50 2HB LYS 50 3.813 -3.810 -2.319 418 HB3 LYS 50 1HB LYS 50 4.920 -4.580 -1.190 419 HG2 LYS 50 2HG LYS 50 5.916 -5.796 -2.792 420 HG3 LYS 50 1HG LYS 50 4.405 -6.099 -3.650 421 HD2 LYS 50 2HD LYS 50 4.474 -3.862 -4.603 422 HD3 LYS 50 1HD LYS 50 5.946 -3.504 -3.698 423 HE2 LYS 50 2HE LYS 50 6.231 -4.155 -6.138 424 HE3 LYS 50 1HE LYS 50 7.219 -5.020 -4.964 425 HZ1 LYS 50 3HZ LYS 50 6.204 -6.483 -6.639 426 HZ2 LYS 50 1HZ LYS 50 4.667 -6.036 -6.089 427 HZ3 LYS 50 2HZ LYS 50 5.720 -6.874 -5.066 428 H THR 51 H THR 51 3.926 -6.380 0.790 429 HA THR 51 HA THR 51 4.940 -8.958 -0.163 430 HB THR 51 HB THR 51 5.407 -8.221 2.649 431 HG1 THR 51 1HG THR 51 5.867 -6.229 2.135 432 HG21 THR 51 3HG2 THR 51 6.597 -9.888 0.809 433 HG22 THR 51 1HG2 THR 51 7.231 -9.435 2.391 434 HG23 THR 51 2HG2 THR 51 7.727 -8.538 0.955 435 H PHE 52 H PHE 52 2.942 -7.628 2.462 436 HA PHE 52 HA PHE 52 1.479 -8.627 3.910 437 HB2 PHE 52 2HB PHE 52 0.673 -9.051 1.213 438 HB3 PHE 52 1HB PHE 52 0.234 -10.472 2.143 439 HD1 PHE 52 1HD PHE 52 -1.169 -10.173 4.211 440 HD2 PHE 52 2HD PHE 52 -0.534 -7.063 1.395 441 HE1 PHE 52 1HE PHE 52 -3.118 -8.967 5.108 442 HE2 PHE 52 2HE PHE 52 -2.477 -5.839 2.284 443 HZ PHE 52 HZ PHE 52 -3.772 -6.798 4.145 444 H THR 53 H THR 53 4.075 -9.993 3.611 445 HA THR 53 HA THR 53 3.914 -12.748 3.511 446 HB THR 53 HB THR 53 5.711 -10.853 4.987 447 HG1 THR 53 1HG THR 53 6.072 -12.686 2.855 448 HG21 THR 53 3HG2 THR 53 6.113 -13.841 5.006 449 HG22 THR 53 1HG2 THR 53 5.610 -12.887 6.399 450 HG23 THR 53 2HG2 THR 53 7.187 -12.612 5.668 451 H VAL 54 H VAL 54 2.964 -14.247 4.713 452 HA VAL 54 HA VAL 54 2.341 -13.650 7.528 453 HB VAL 54 HB VAL 54 0.157 -14.828 7.254 454 HG11 VAL 54 1HG1 VAL 54 -0.299 -12.617 7.378 455 HG12 VAL 54 2HG1 VAL 54 -0.754 -12.835 5.689 456 HG13 VAL 54 3HG1 VAL 54 0.837 -12.196 6.100 457 HG21 VAL 54 3HG2 VAL 54 -0.640 -15.569 5.260 458 HG22 VAL 54 1HG2 VAL 54 1.081 -15.744 4.921 459 HG23 VAL 54 2HG2 VAL 54 0.208 -14.332 4.333 460 H THR 55 H THR 55 1.348 -15.833 8.496 461 HA THR 55 HA THR 55 3.376 -17.870 7.956 462 HB THR 55 HB THR 55 1.483 -17.793 10.294 463 HG1 THR 55 1HG THR 55 2.674 -15.866 10.273 464 HG21 THR 55 3HG2 THR 55 2.900 -19.861 9.730 465 HG22 THR 55 1HG2 THR 55 2.906 -19.241 11.384 466 HG23 THR 55 2HG2 THR 55 4.258 -18.888 10.300 467 H GLU 56 H GLU 56 -0.045 -17.892 8.945 468 HA GLU 56 HA GLU 56 -0.853 -19.528 6.763 469 HB2 GLU 56 2HB GLU 56 0.222 -20.872 9.053 470 HB3 GLU 56 1HB GLU 56 -1.500 -21.220 8.955 471 HG2 GLU 56 2HG GLU 56 -0.163 -21.425 6.381 472 HG3 GLU 56 1HG GLU 56 0.508 -22.515 7.595 Start of MODEL 11 1 H1 THR 1 1HT THR 1 14.053 20.283 -18.926 2 H2 THR 1 2HT THR 1 14.495 21.735 -18.127 3 H3 THR 1 3HT THR 1 13.698 21.798 -19.645 4 HA THR 1 HA THR 1 12.551 20.677 -17.179 5 HB THR 1 HB THR 1 12.907 23.052 -16.914 6 HG1 THR 1 1HG THR 1 10.973 23.149 -16.157 7 HG21 THR 1 3HG2 THR 1 13.103 24.329 -18.715 8 HG22 THR 1 1HG2 THR 1 11.341 24.341 -18.772 9 HG23 THR 1 2HG2 THR 1 12.247 23.170 -19.731 10 H THR 2 H THR 2 11.859 18.879 -18.486 11 HA THR 2 HA THR 2 9.827 19.548 -20.505 12 HB THR 2 HB THR 2 11.139 16.870 -20.018 13 HG1 THR 2 1HG THR 2 12.494 17.386 -21.707 14 HG21 THR 2 3HG2 THR 2 9.713 17.871 -22.468 15 HG22 THR 2 1HG2 THR 2 8.985 16.827 -21.248 16 HG23 THR 2 2HG2 THR 2 10.365 16.256 -22.188 17 H TYR 3 H TYR 3 10.426 17.280 -17.825 18 HA TYR 3 HA TYR 3 7.588 17.447 -17.132 19 HB2 TYR 3 2HB TYR 3 8.931 15.105 -18.211 20 HB3 TYR 3 1HB TYR 3 8.235 14.782 -16.627 21 HD1 TYR 3 2HD TYR 3 7.492 15.751 -20.097 22 HD2 TYR 3 1HD TYR 3 5.852 14.722 -16.308 23 HE1 TYR 3 2HE TYR 3 5.278 15.479 -21.134 24 HE2 TYR 3 1HE TYR 3 3.635 14.446 -17.335 25 HH TYR 3 HH TYR 3 3.178 14.360 -20.728 26 H LYS 4 H LYS 4 8.362 18.773 -15.408 27 HA LYS 4 HA LYS 4 10.304 18.021 -13.543 28 HB2 LYS 4 2HB LYS 4 9.180 19.651 -12.028 29 HB3 LYS 4 1HB LYS 4 9.523 20.294 -13.628 30 HG2 LYS 4 2HG LYS 4 7.322 20.425 -14.205 31 HG3 LYS 4 1HG LYS 4 6.852 19.090 -13.149 32 HD2 LYS 4 2HD LYS 4 7.245 20.557 -11.192 33 HD3 LYS 4 1HD LYS 4 7.595 21.888 -12.296 34 HE2 LYS 4 2HE LYS 4 5.023 20.384 -12.535 35 HE3 LYS 4 1HE LYS 4 5.205 21.621 -11.290 36 HZ1 LYS 4 3HZ LYS 4 5.559 23.271 -12.904 37 HZ2 LYS 4 1HZ LYS 4 4.248 22.368 -13.480 38 HZ3 LYS 4 2HZ LYS 4 5.787 22.147 -14.146 39 H LEU 5 H LEU 5 10.279 16.830 -11.698 40 HA LEU 5 HA LEU 5 8.442 14.741 -11.419 41 HB2 LEU 5 2HB LEU 5 10.376 15.927 -9.431 42 HB3 LEU 5 1HB LEU 5 9.486 14.444 -9.156 43 HG LEU 5 HG LEU 5 12.006 14.739 -10.360 44 HD11 LEU 5 1HD1 LEU 5 11.436 12.870 -9.019 45 HD12 LEU 5 2HD1 LEU 5 11.790 12.260 -10.635 46 HD13 LEU 5 3HD1 LEU 5 10.117 12.416 -10.098 47 HD21 LEU 5 3HD2 LEU 5 9.909 13.926 -12.366 48 HD22 LEU 5 1HD2 LEU 5 11.624 13.554 -12.530 49 HD23 LEU 5 2HD2 LEU 5 11.086 15.233 -12.505 50 H ILE 6 H ILE 6 6.348 15.635 -11.415 51 HA ILE 6 HA ILE 6 5.424 17.615 -9.670 52 HB ILE 6 HB ILE 6 4.175 16.852 -11.651 53 HG12 ILE 6 2HG1 ILE 6 1.906 16.706 -10.503 54 HG13 ILE 6 1HG1 ILE 6 2.785 16.723 -8.978 55 HG21 ILE 6 1HG2 ILE 6 4.657 14.338 -10.805 56 HG22 ILE 6 2HG2 ILE 6 3.397 14.764 -11.963 57 HG23 ILE 6 3HG2 ILE 6 2.991 14.545 -10.261 58 HD11 ILE 6 3HD1 ILE 6 3.709 18.868 -10.610 59 HD12 ILE 6 1HD1 ILE 6 2.901 18.926 -9.044 60 HD13 ILE 6 2HD1 ILE 6 1.947 18.910 -10.527 61 H LEU 7 H LEU 7 4.691 17.604 -7.610 62 HA LEU 7 HA LEU 7 5.070 15.131 -6.090 63 HB2 LEU 7 2HB LEU 7 4.677 17.956 -5.100 64 HB3 LEU 7 1HB LEU 7 5.075 16.562 -4.111 65 HG LEU 7 HG LEU 7 6.929 17.260 -6.333 66 HD11 LEU 7 1HD1 LEU 7 6.558 18.853 -3.829 67 HD12 LEU 7 2HD1 LEU 7 6.713 19.420 -5.492 68 HD13 LEU 7 3HD1 LEU 7 8.116 18.767 -4.646 69 HD21 LEU 7 3HD2 LEU 7 8.579 16.531 -4.609 70 HD22 LEU 7 1HD2 LEU 7 7.408 15.292 -5.063 71 HD23 LEU 7 2HD2 LEU 7 7.222 16.164 -3.542 72 H ASN 8 H ASN 8 3.253 13.939 -6.182 73 HA ASN 8 HA ASN 8 0.834 15.104 -5.028 74 HB2 ASN 8 2HB ASN 8 0.856 13.552 -7.625 75 HB3 ASN 8 1HB ASN 8 -0.591 14.067 -6.755 76 HD21 ASN 8 1HD2 ASN 8 0.065 16.610 -6.021 77 HD22 ASN 8 2HD2 ASN 8 0.263 17.595 -7.426 78 H LEU 9 H LEU 9 -0.635 13.542 -4.169 79 HA LEU 9 HA LEU 9 0.741 11.184 -3.196 80 HB2 LEU 9 2HB LEU 9 -1.318 10.904 -1.804 81 HB3 LEU 9 1HB LEU 9 -0.425 12.389 -1.534 82 HG LEU 9 HG LEU 9 -2.653 12.526 -3.484 83 HD11 LEU 9 1HD1 LEU 9 -4.028 11.457 -2.055 84 HD12 LEU 9 2HD1 LEU 9 -4.022 13.013 -1.226 85 HD13 LEU 9 3HD1 LEU 9 -2.966 11.713 -0.672 86 HD21 LEU 9 3HD2 LEU 9 -1.983 14.645 -3.208 87 HD22 LEU 9 1HD2 LEU 9 -1.127 14.277 -1.711 88 HD23 LEU 9 2HD2 LEU 9 -2.864 14.582 -1.681 89 H LYS 10 H LYS 10 -1.850 12.008 -5.383 90 HA LYS 10 HA LYS 10 -3.293 9.743 -5.697 91 HB2 LYS 10 2HB LYS 10 -2.193 11.522 -7.874 92 HB3 LYS 10 1HB LYS 10 -3.447 10.318 -8.129 93 HG2 LYS 10 2HG LYS 10 -4.961 11.835 -7.587 94 HG3 LYS 10 1HG LYS 10 -4.294 11.875 -5.954 95 HD2 LYS 10 2HD LYS 10 -2.529 13.477 -7.074 96 HD3 LYS 10 1HD LYS 10 -3.824 13.717 -8.249 97 HE2 LYS 10 2HE LYS 10 -4.174 14.034 -5.274 98 HE3 LYS 10 1HE LYS 10 -3.791 15.366 -6.362 99 HZ1 LYS 10 3HZ LYS 10 -6.075 13.730 -7.104 100 HZ2 LYS 10 1HZ LYS 10 -5.870 15.408 -7.187 101 HZ3 LYS 10 2HZ LYS 10 -6.268 14.675 -5.715 102 H GLN 11 H GLN 11 -0.165 10.362 -7.307 103 HA GLN 11 HA GLN 11 0.129 8.028 -8.721 104 HB2 GLN 11 2HB GLN 11 2.614 8.298 -8.288 105 HB3 GLN 11 1HB GLN 11 1.795 9.699 -8.965 106 HG2 GLN 11 2HG GLN 11 1.843 10.850 -6.917 107 HG3 GLN 11 1HG GLN 11 2.267 9.391 -6.018 108 HE21 GLN 11 1HE2 GLN 11 3.428 12.168 -7.466 109 HE22 GLN 11 2HE2 GLN 11 5.111 11.780 -7.472 110 H ALA 12 H ALA 12 0.521 8.560 -5.286 111 HA ALA 12 HA ALA 12 1.510 5.893 -4.780 112 HB1 ALA 12 1HB ALA 12 1.916 8.157 -3.463 113 HB2 ALA 12 2HB ALA 12 1.932 6.590 -2.653 114 HB3 ALA 12 3HB ALA 12 0.490 7.605 -2.580 115 H LYS 13 H LYS 13 -1.530 7.635 -4.633 116 HA LYS 13 HA LYS 13 -2.997 5.795 -3.114 117 HB2 LYS 13 2HB LYS 13 -4.372 7.555 -3.313 118 HB3 LYS 13 1HB LYS 13 -3.540 8.137 -4.748 119 HG2 LYS 13 2HG LYS 13 -5.524 5.888 -4.879 120 HG3 LYS 13 1HG LYS 13 -6.023 7.579 -4.941 121 HD2 LYS 13 2HD LYS 13 -3.827 7.106 -6.738 122 HD3 LYS 13 1HD LYS 13 -5.145 5.980 -7.067 123 HE2 LYS 13 2HE LYS 13 -5.886 8.810 -6.624 124 HE3 LYS 13 1HE LYS 13 -5.019 8.444 -8.116 125 HZ1 LYS 13 3HZ LYS 13 -6.698 6.821 -8.674 126 HZ2 LYS 13 1HZ LYS 13 -7.430 8.321 -8.390 127 HZ3 LYS 13 2HZ LYS 13 -7.513 7.103 -7.219 128 H GLU 14 H GLU 14 -2.179 5.952 -6.517 129 HA GLU 14 HA GLU 14 -3.810 3.699 -7.253 130 HB2 GLU 14 2HB GLU 14 -3.309 5.443 -8.896 131 HB3 GLU 14 1HB GLU 14 -1.589 5.114 -8.746 132 HG2 GLU 14 2HG GLU 14 -2.111 3.989 -10.671 133 HG3 GLU 14 1HG GLU 14 -2.255 2.710 -9.467 134 H GLU 15 H GLU 15 -0.522 4.296 -6.251 135 HA GLU 15 HA GLU 15 0.779 1.982 -7.029 136 HB2 GLU 15 2HB GLU 15 1.091 3.984 -4.893 137 HB3 GLU 15 1HB GLU 15 1.820 2.425 -4.540 138 HG2 GLU 15 2HG GLU 15 2.367 4.151 -6.942 139 HG3 GLU 15 1HG GLU 15 3.421 3.919 -5.543 140 H ALA 16 H ALA 16 -1.092 2.574 -4.072 141 HA ALA 16 HA ALA 16 -0.852 -0.108 -3.123 142 HB1 ALA 16 1HB ALA 16 -2.345 0.562 -1.366 143 HB2 ALA 16 2HB ALA 16 -2.832 1.996 -2.270 144 HB3 ALA 16 3HB ALA 16 -1.186 1.862 -1.650 145 H ILE 17 H ILE 17 -3.375 1.734 -4.800 146 HA ILE 17 HA ILE 17 -5.439 -0.113 -4.696 147 HB ILE 17 HB ILE 17 -4.692 2.021 -6.663 148 HG12 ILE 17 2HG1 ILE 17 -7.116 1.555 -4.918 149 HG13 ILE 17 1HG1 ILE 17 -5.765 2.619 -4.543 150 HG21 ILE 17 1HG2 ILE 17 -6.779 1.612 -7.927 151 HG22 ILE 17 2HG2 ILE 17 -6.976 0.087 -7.066 152 HG23 ILE 17 3HG2 ILE 17 -5.589 0.328 -8.128 153 HD11 ILE 17 3HD1 ILE 17 -7.565 3.957 -5.321 154 HD12 ILE 17 1HD1 ILE 17 -7.785 2.938 -6.743 155 HD13 ILE 17 2HD1 ILE 17 -6.336 3.930 -6.585 156 H LYS 18 H LYS 18 -2.849 0.176 -7.117 157 HA LYS 18 HA LYS 18 -3.665 -1.989 -8.719 158 HB2 LYS 18 2HB LYS 18 -1.353 -0.231 -8.515 159 HB3 LYS 18 1HB LYS 18 -0.899 -1.866 -8.977 160 HG2 LYS 18 2HG LYS 18 -3.140 -0.477 -10.383 161 HG3 LYS 18 1HG LYS 18 -1.463 -0.128 -10.807 162 HD2 LYS 18 2HD LYS 18 -2.341 -2.971 -10.628 163 HD3 LYS 18 1HD LYS 18 -2.807 -2.022 -12.043 164 HE2 LYS 18 2HE LYS 18 0.033 -2.194 -11.069 165 HE3 LYS 18 1HE LYS 18 -0.647 -3.349 -12.214 166 HZ1 LYS 18 3HZ LYS 18 -0.815 -1.769 -13.849 167 HZ2 LYS 18 1HZ LYS 18 0.595 -1.254 -13.064 168 HZ3 LYS 18 2HZ LYS 18 -0.875 -0.471 -12.765 169 H GLU 19 H GLU 19 -1.360 -1.808 -6.022 170 HA GLU 19 HA GLU 19 -0.612 -4.543 -6.141 171 HB2 GLU 19 2HB GLU 19 -0.450 -2.716 -3.744 172 HB3 GLU 19 1HB GLU 19 0.530 -4.143 -4.068 173 HG2 GLU 19 2HG GLU 19 0.621 -1.996 -6.092 174 HG3 GLU 19 1HG GLU 19 1.356 -1.642 -4.529 175 H LEU 20 H LEU 20 -3.104 -2.770 -4.405 176 HA LEU 20 HA LEU 20 -3.799 -4.863 -2.638 177 HB2 LEU 20 2HB LEU 20 -4.796 -2.218 -3.296 178 HB3 LEU 20 1HB LEU 20 -6.097 -3.342 -2.962 179 HG LEU 20 HG LEU 20 -4.971 -3.872 -0.770 180 HD11 LEU 20 1HD1 LEU 20 -2.750 -2.843 -1.707 181 HD12 LEU 20 2HD1 LEU 20 -3.154 -2.720 0.007 182 HD13 LEU 20 3HD1 LEU 20 -3.426 -1.346 -1.066 183 HD21 LEU 20 3HD2 LEU 20 -5.781 -1.013 -1.247 184 HD22 LEU 20 1HD2 LEU 20 -5.741 -1.830 0.311 185 HD23 LEU 20 2HD2 LEU 20 -6.873 -2.358 -0.930 186 H VAL 21 H VAL 21 -4.938 -3.948 -5.831 187 HA VAL 21 HA VAL 21 -7.087 -5.835 -5.868 188 HB VAL 21 HB VAL 21 -5.757 -4.531 -8.245 189 HG11 VAL 21 1HG1 VAL 21 -7.780 -4.962 -9.412 190 HG12 VAL 21 2HG1 VAL 21 -8.597 -5.480 -7.937 191 HG13 VAL 21 3HG1 VAL 21 -7.310 -6.470 -8.627 192 HG21 VAL 21 3HG2 VAL 21 -6.935 -3.192 -6.148 193 HG22 VAL 21 1HG2 VAL 21 -8.251 -3.349 -7.311 194 HG23 VAL 21 2HG2 VAL 21 -6.742 -2.576 -7.789 195 H ASP 22 H ASP 22 -3.719 -5.869 -6.765 196 HA ASP 22 HA ASP 22 -3.806 -8.231 -8.347 197 HB2 ASP 22 2HB ASP 22 -1.979 -6.296 -8.062 198 HB3 ASP 22 1HB ASP 22 -1.288 -7.487 -6.963 199 H ALA 23 H ALA 23 -3.634 -7.661 -4.920 200 HA ALA 23 HA ALA 23 -3.415 -10.574 -4.530 201 HB1 ALA 23 1HB ALA 23 -1.257 -9.188 -4.030 202 HB2 ALA 23 2HB ALA 23 -1.771 -10.459 -2.923 203 HB3 ALA 23 3HB ALA 23 -2.107 -8.772 -2.538 204 H GLY 24 H GLY 24 -4.508 -11.447 -2.760 205 HA2 GLY 24 2HA GLY 24 -6.872 -10.064 -1.996 206 HA3 GLY 24 1HA GLY 24 -6.330 -11.626 -1.367 207 H THR 25 H THR 25 -5.580 -8.167 -1.145 208 HA THR 25 HA THR 25 -4.593 -8.528 1.573 209 HB THR 25 HB THR 25 -3.105 -7.214 0.459 210 HG1 THR 25 1HG THR 25 -4.250 -6.056 2.286 211 HG21 THR 25 3HG2 THR 25 -5.418 -6.076 -1.026 212 HG22 THR 25 1HG2 THR 25 -3.951 -6.839 -1.638 213 HG23 THR 25 2HG2 THR 25 -3.878 -5.223 -0.944 214 H ALA 26 H ALA 26 -6.069 -5.482 0.682 215 HA ALA 26 HA ALA 26 -8.669 -5.883 1.620 216 HB1 ALA 26 1HB ALA 26 -7.362 -4.382 3.777 217 HB2 ALA 26 2HB ALA 26 -6.970 -6.099 3.721 218 HB3 ALA 26 3HB ALA 26 -8.651 -5.582 3.844 219 H GLU 27 H GLU 27 -9.815 -4.243 0.854 220 HA GLU 27 HA GLU 27 -8.778 -2.090 -0.516 221 HB2 GLU 27 2HB GLU 27 -11.105 -1.100 -0.250 222 HB3 GLU 27 1HB GLU 27 -11.005 -2.699 -0.972 223 HG2 GLU 27 2HG GLU 27 -11.275 -3.220 1.713 224 HG3 GLU 27 1HG GLU 27 -12.317 -1.826 1.461 225 H LYS 28 H LYS 28 -9.630 -2.296 2.872 226 HA LYS 28 HA LYS 28 -9.791 0.346 3.597 227 HB2 LYS 28 2HB LYS 28 -8.323 -1.660 5.302 228 HB3 LYS 28 1HB LYS 28 -9.306 -0.298 5.817 229 HG2 LYS 28 2HG LYS 28 -10.243 -2.878 4.591 230 HG3 LYS 28 1HG LYS 28 -10.543 -2.287 6.230 231 HD2 LYS 28 2HD LYS 28 -11.672 -0.285 5.033 232 HD3 LYS 28 1HD LYS 28 -11.722 -1.360 3.633 233 HE2 LYS 28 2HE LYS 28 -12.706 -2.355 6.270 234 HE3 LYS 28 1HE LYS 28 -13.722 -1.255 5.340 235 HZ1 LYS 28 3HZ LYS 28 -12.583 -3.501 3.883 236 HZ2 LYS 28 1HZ LYS 28 -14.119 -2.804 3.770 237 HZ3 LYS 28 2HZ LYS 28 -13.767 -3.884 5.028 238 H TYR 29 H TYR 29 -6.966 -1.265 2.456 239 HA TYR 29 HA TYR 29 -5.147 0.585 3.717 240 HB2 TYR 29 2HB TYR 29 -4.492 -1.397 1.525 241 HB3 TYR 29 1HB TYR 29 -3.362 -0.581 2.605 242 HD1 TYR 29 2HD TYR 29 -4.050 -0.893 5.206 243 HD2 TYR 29 1HD TYR 29 -4.936 -3.610 2.054 244 HE1 TYR 29 2HE TYR 29 -4.256 -2.710 6.840 245 HE2 TYR 29 1HE TYR 29 -5.149 -5.428 3.678 246 HH TYR 29 HH TYR 29 -5.614 -5.725 6.067 247 H PHE 30 H PHE 30 -6.399 0.172 0.385 248 HA PHE 30 HA PHE 30 -4.780 2.287 -0.618 249 HB2 PHE 30 2HB PHE 30 -6.125 2.217 -2.640 250 HB3 PHE 30 1HB PHE 30 -5.677 0.595 -2.143 251 HD1 PHE 30 2HD PHE 30 -8.506 2.959 -1.433 252 HD2 PHE 30 1HD PHE 30 -7.278 -0.965 -2.533 253 HE1 PHE 30 2HE PHE 30 -10.858 2.270 -1.583 254 HE2 PHE 30 1HE PHE 30 -9.633 -1.658 -2.691 255 HZ PHE 30 HZ PHE 30 -11.426 -0.040 -2.216 256 H LYS 31 H LYS 31 -7.765 2.192 1.100 257 HA LYS 31 HA LYS 31 -8.558 4.865 0.324 258 HB2 LYS 31 2HB LYS 31 -9.730 2.656 1.814 259 HB3 LYS 31 1HB LYS 31 -9.975 4.196 2.626 260 HG2 LYS 31 2HG LYS 31 -10.604 4.813 0.043 261 HG3 LYS 31 1HG LYS 31 -11.173 3.148 0.178 262 HD2 LYS 31 2HD LYS 31 -12.911 3.758 1.438 263 HD3 LYS 31 1HD LYS 31 -11.882 4.707 2.513 264 HE2 LYS 31 2HE LYS 31 -11.905 6.523 0.794 265 HE3 LYS 31 1HE LYS 31 -13.102 5.585 -0.098 266 HZ1 LYS 31 3HZ LYS 31 -13.931 7.389 1.477 267 HZ2 LYS 31 1HZ LYS 31 -13.535 6.321 2.729 268 HZ3 LYS 31 2HZ LYS 31 -14.679 5.874 1.566 269 H LEU 32 H LEU 32 -6.949 3.267 2.983 270 HA LEU 32 HA LEU 32 -6.894 5.505 4.735 271 HB2 LEU 32 2HB LEU 32 -5.883 2.776 4.669 272 HB3 LEU 32 1HB LEU 32 -4.742 3.890 5.417 273 HG LEU 32 HG LEU 32 -7.598 3.404 6.272 274 HD11 LEU 32 1HD1 LEU 32 -4.958 2.420 7.156 275 HD12 LEU 32 2HD1 LEU 32 -6.541 1.659 7.235 276 HD13 LEU 32 3HD1 LEU 32 -6.091 2.884 8.421 277 HD21 LEU 32 3HD2 LEU 32 -7.428 5.573 6.902 278 HD22 LEU 32 1HD2 LEU 32 -5.664 5.548 6.912 279 HD23 LEU 32 2HD2 LEU 32 -6.561 4.858 8.257 280 H ILE 33 H ILE 33 -4.692 4.216 2.302 281 HA ILE 33 HA ILE 33 -2.587 6.048 2.915 282 HB ILE 33 HB ILE 33 -1.631 5.295 0.713 283 HG12 ILE 33 2HG1 ILE 33 -3.132 2.916 0.391 284 HG13 ILE 33 1HG1 ILE 33 -4.288 4.241 0.421 285 HG21 ILE 33 1HG2 ILE 33 -2.266 2.878 2.325 286 HG22 ILE 33 2HG2 ILE 33 -1.421 4.216 3.100 287 HG23 ILE 33 3HG2 ILE 33 -0.721 3.434 1.683 288 HD11 ILE 33 3HD1 ILE 33 -3.764 4.027 -1.820 289 HD12 ILE 33 1HD1 ILE 33 -2.056 3.735 -1.492 290 HD13 ILE 33 2HD1 ILE 33 -2.726 5.351 -1.289 291 H ALA 34 H ALA 34 -5.104 5.911 0.410 292 HA ALA 34 HA ALA 34 -4.307 8.087 -1.121 293 HB1 ALA 34 1HB ALA 34 -7.199 7.505 -0.584 294 HB2 ALA 34 2HB ALA 34 -6.202 6.397 -1.526 295 HB3 ALA 34 3HB ALA 34 -6.435 8.057 -2.075 296 H ASN 35 H ASN 35 -5.712 7.974 2.032 297 HA ASN 35 HA ASN 35 -6.576 10.726 2.030 298 HB2 ASN 35 2HB ASN 35 -7.883 9.294 3.383 299 HB3 ASN 35 1HB ASN 35 -6.462 8.563 4.132 300 HD21 ASN 35 1HD2 ASN 35 -6.966 8.999 6.218 301 HD22 ASN 35 2HD2 ASN 35 -7.072 10.586 6.870 302 H ALA 36 H ALA 36 -3.671 8.996 2.713 303 HA ALA 36 HA ALA 36 -2.449 10.690 4.579 304 HB1 ALA 36 1HB ALA 36 -1.452 8.585 4.151 305 HB2 ALA 36 2HB ALA 36 -0.301 9.806 3.611 306 HB3 ALA 36 3HB ALA 36 -1.281 8.936 2.431 307 H LYS 37 H LYS 37 -1.375 12.590 4.429 308 HA LYS 37 HA LYS 37 -1.756 14.160 2.053 309 HB2 LYS 37 2HB LYS 37 -1.363 14.682 4.789 310 HB3 LYS 37 1HB LYS 37 0.039 15.376 3.973 311 HG2 LYS 37 2HG LYS 37 -1.395 16.695 2.550 312 HG3 LYS 37 1HG LYS 37 -2.830 15.945 3.251 313 HD2 LYS 37 2HD LYS 37 -2.463 16.969 5.347 314 HD3 LYS 37 1HD LYS 37 -0.822 17.452 4.913 315 HE2 LYS 37 2HE LYS 37 -1.641 19.057 3.337 316 HE3 LYS 37 1HE LYS 37 -3.296 18.481 3.534 317 HZ1 LYS 37 3HZ LYS 37 -1.734 20.244 5.238 318 HZ2 LYS 37 1HZ LYS 37 -2.709 19.115 6.041 319 HZ3 LYS 37 2HZ LYS 37 -3.400 20.210 4.951 320 H THR 38 H THR 38 0.836 12.332 3.472 321 HA THR 38 HA THR 38 2.701 13.391 1.460 322 HB THR 38 HB THR 38 4.483 12.389 2.850 323 HG1 THR 38 1HG THR 38 3.790 10.855 4.107 324 HG21 THR 38 3HG2 THR 38 3.048 13.886 4.914 325 HG22 THR 38 1HG2 THR 38 3.203 14.706 3.360 326 HG23 THR 38 2HG2 THR 38 4.644 14.150 4.211 327 H VAL 39 H VAL 39 3.613 12.092 -0.038 328 HA VAL 39 HA VAL 39 2.322 9.701 -0.761 329 HB VAL 39 HB VAL 39 4.144 9.424 -2.415 330 HG11 VAL 39 1HG1 VAL 39 3.823 12.011 -3.220 331 HG12 VAL 39 2HG1 VAL 39 2.467 11.803 -2.111 332 HG13 VAL 39 3HG1 VAL 39 2.657 10.713 -3.485 333 HG21 VAL 39 3HG2 VAL 39 6.013 10.227 -1.103 334 HG22 VAL 39 1HG2 VAL 39 5.313 11.845 -1.044 335 HG23 VAL 39 2HG2 VAL 39 5.870 11.180 -2.580 336 H GLU 40 H GLU 40 5.375 10.315 0.915 337 HA GLU 40 HA GLU 40 6.501 7.808 0.931 338 HB2 GLU 40 2HB GLU 40 6.457 9.609 3.350 339 HB3 GLU 40 1HB GLU 40 7.704 8.459 2.890 340 HG2 GLU 40 2HG GLU 40 8.778 10.043 1.794 341 HG3 GLU 40 1HG GLU 40 7.378 10.286 0.750 342 H GLY 41 H GLY 41 3.702 8.920 2.667 343 HA2 GLY 41 2HA GLY 41 3.628 6.729 4.529 344 HA3 GLY 41 1HA GLY 41 2.344 7.899 4.237 345 H VAL 42 H VAL 42 2.124 7.492 1.449 346 HA VAL 42 HA VAL 42 0.391 5.219 1.445 347 HB VAL 42 HB VAL 42 1.255 7.066 -0.781 348 HG11 VAL 42 1HG1 VAL 42 -0.531 4.692 -0.754 349 HG12 VAL 42 2HG1 VAL 42 0.553 5.277 -2.014 350 HG13 VAL 42 3HG1 VAL 42 -0.995 6.076 -1.743 351 HG21 VAL 42 3HG2 VAL 42 -0.881 7.126 1.253 352 HG22 VAL 42 1HG2 VAL 42 -1.347 7.591 -0.383 353 HG23 VAL 42 2HG2 VAL 42 -0.045 8.449 0.442 354 H TRP 43 H TRP 43 3.441 6.036 -0.198 355 HA TRP 43 HA TRP 43 3.635 3.631 -1.649 356 HB2 TRP 43 2HB TRP 43 5.646 5.713 -0.811 357 HB3 TRP 43 1HB TRP 43 6.174 4.261 -1.653 358 HD1 TRP 43 HD TRP 43 4.079 7.445 -2.207 359 HE1 TRP 43 1HE TRP 43 3.842 7.835 -4.734 360 HE3 TRP 43 3HE TRP 43 6.159 3.089 -3.909 361 HZ2 TRP 43 2HZ TRP 43 4.441 6.484 -7.132 362 HZ3 TRP 43 3HZ TRP 43 6.269 2.714 -6.339 363 HH2 TRP 43 HH TRP 43 5.432 4.380 -7.915 364 H THR 44 H THR 44 4.456 4.459 1.638 365 HA THR 44 HA THR 44 6.087 2.159 2.126 366 HB THR 44 HB THR 44 5.556 2.775 4.577 367 HG1 THR 44 1HG THR 44 3.669 3.994 4.074 368 HG21 THR 44 3HG2 THR 44 7.653 3.454 3.791 369 HG22 THR 44 1HG2 THR 44 6.906 4.909 4.450 370 HG23 THR 44 2HG2 THR 44 6.950 4.655 2.705 371 H LEU 45 H LEU 45 2.689 2.978 2.531 372 HA LEU 45 HA LEU 45 2.005 0.534 3.857 373 HB2 LEU 45 2HB LEU 45 0.664 2.977 3.046 374 HB3 LEU 45 1HB LEU 45 -0.324 1.565 2.723 375 HD11 LEU 45 1HD1 LEU 45 2.009 2.505 5.423 376 HD12 LEU 45 2HD1 LEU 45 0.785 2.570 6.690 377 HD13 LEU 45 3HD1 LEU 45 0.817 3.806 5.431 378 HD21 LEU 45 3HD2 LEU 45 -1.801 2.000 5.854 379 HD22 LEU 45 1HD2 LEU 45 -1.968 2.021 4.099 380 HD23 LEU 45 2HD2 LEU 45 -1.414 3.463 4.948 381 H LYS 46 H LYS 46 2.212 1.612 0.550 382 HA LYS 46 HA LYS 46 0.647 -0.484 -0.576 383 HB2 LYS 46 2HB LYS 46 1.163 0.410 -2.639 384 HB3 LYS 46 1HB LYS 46 1.390 1.811 -1.604 385 HG2 LYS 46 2HG LYS 46 3.333 2.000 -2.703 386 HG3 LYS 46 1HG LYS 46 3.882 0.761 -1.574 387 HD2 LYS 46 2HD LYS 46 3.192 -0.962 -3.245 388 HD3 LYS 46 1HD LYS 46 2.858 0.349 -4.378 389 HE2 LYS 46 2HE LYS 46 5.091 -0.698 -4.685 390 HE3 LYS 46 1HE LYS 46 5.157 1.033 -4.358 391 HZ1 LYS 46 3HZ LYS 46 5.518 -1.042 -2.269 392 HZ2 LYS 46 1HZ LYS 46 5.805 0.619 -2.127 393 HZ3 LYS 46 2HZ LYS 46 6.801 -0.331 -3.109 394 H ASP 47 H ASP 47 3.984 -0.130 0.358 395 HA ASP 47 HA ASP 47 4.903 -2.475 -1.018 396 HB2 ASP 47 2HB ASP 47 6.242 -0.378 -0.125 397 HB3 ASP 47 1HB ASP 47 6.346 -1.342 1.345 398 H GLU 48 H GLU 48 3.843 -1.665 2.242 399 HA GLU 48 HA GLU 48 4.487 -4.083 3.504 400 HB2 GLU 48 2HB GLU 48 3.180 -1.694 4.200 401 HB3 GLU 48 1HB GLU 48 2.019 -2.973 4.524 402 HG2 GLU 48 2HG GLU 48 3.081 -3.540 6.376 403 HG3 GLU 48 1HG GLU 48 4.597 -3.743 5.499 404 H ILE 49 H ILE 49 1.696 -3.096 1.608 405 HA ILE 49 HA ILE 49 0.223 -5.514 2.092 406 HB ILE 49 HB ILE 49 -1.002 -3.491 1.609 407 HG12 ILE 49 2HG1 ILE 49 -1.673 -5.868 0.706 408 HG13 ILE 49 1HG1 ILE 49 -2.612 -4.453 0.258 409 HG21 ILE 49 1HG2 ILE 49 -0.926 -2.512 -0.696 410 HG22 ILE 49 2HG2 ILE 49 0.504 -3.499 -0.997 411 HG23 ILE 49 3HG2 ILE 49 0.532 -2.268 0.265 412 HD11 ILE 49 3HD1 ILE 49 -2.075 -4.641 -1.904 413 HD12 ILE 49 1HD1 ILE 49 -1.662 -6.300 -1.476 414 HD13 ILE 49 2HD1 ILE 49 -0.402 -5.070 -1.561 415 H LYS 50 H LYS 50 2.533 -4.373 -0.254 416 HA LYS 50 HA LYS 50 2.018 -6.183 -2.332 417 HB2 LYS 50 2HB LYS 50 3.455 -4.227 -2.620 418 HB3 LYS 50 1HB LYS 50 4.636 -4.907 -1.511 419 HG2 LYS 50 2HG LYS 50 4.415 -6.906 -3.334 420 HG3 LYS 50 1HG LYS 50 4.154 -5.482 -4.341 421 HD2 LYS 50 2HD LYS 50 6.279 -4.716 -2.797 422 HD3 LYS 50 1HD LYS 50 6.588 -6.437 -3.027 423 HE2 LYS 50 2HE LYS 50 6.376 -6.146 -5.450 424 HE3 LYS 50 1HE LYS 50 6.072 -4.426 -5.216 425 HZ1 LYS 50 3HZ LYS 50 8.233 -4.007 -4.817 426 HZ2 LYS 50 1HZ LYS 50 8.477 -5.428 -5.702 427 HZ3 LYS 50 2HZ LYS 50 8.502 -5.469 -4.012 428 H THR 51 H THR 51 3.839 -6.519 0.655 429 HA THR 51 HA THR 51 4.622 -9.238 -0.127 430 HB THR 51 HB THR 51 5.553 -8.166 2.461 431 HG1 THR 51 1HG THR 51 6.354 -7.020 -0.003 432 HG21 THR 51 3HG2 THR 51 7.768 -8.827 1.123 433 HG22 THR 51 1HG2 THR 51 6.600 -9.839 0.279 434 HG23 THR 51 2HG2 THR 51 6.790 -9.987 2.024 435 H PHE 52 H PHE 52 3.123 -7.467 2.563 436 HA PHE 52 HA PHE 52 1.798 -8.138 4.288 437 HB2 PHE 52 2HB PHE 52 0.673 -9.076 1.839 438 HB3 PHE 52 1HB PHE 52 0.352 -10.262 3.090 439 HD1 PHE 52 2HD PHE 52 -0.728 -9.453 5.248 440 HD2 PHE 52 1HD PHE 52 -0.564 -7.115 1.709 441 HE1 PHE 52 2HE PHE 52 -2.541 -8.031 6.111 442 HE2 PHE 52 1HE PHE 52 -2.368 -5.665 2.561 443 HZ PHE 52 HZ PHE 52 -3.356 -6.135 4.765 444 H THR 53 H THR 53 4.354 -9.622 3.853 445 HA THR 53 HA THR 53 3.919 -11.607 5.873 446 HB THR 53 HB THR 53 4.626 -12.446 3.054 447 HG1 THR 53 1HG THR 53 2.613 -13.269 4.860 448 HG21 THR 53 3HG2 THR 53 4.451 -14.618 4.972 449 HG22 THR 53 1HG2 THR 53 5.844 -13.574 5.239 450 HG23 THR 53 2HG2 THR 53 5.604 -14.334 3.669 451 H VAL 54 H VAL 54 5.375 -9.795 6.603 452 HA VAL 54 HA VAL 54 7.416 -8.895 7.079 453 HB VAL 54 HB VAL 54 9.107 -10.497 7.766 454 HG11 VAL 54 1HG1 VAL 54 6.773 -10.176 8.946 455 HG12 VAL 54 2HG1 VAL 54 7.943 -11.363 9.530 456 HG13 VAL 54 3HG1 VAL 54 6.588 -11.875 8.521 457 HG21 VAL 54 3HG2 VAL 54 8.981 -12.845 7.330 458 HG22 VAL 54 1HG2 VAL 54 8.860 -12.001 5.781 459 HG23 VAL 54 2HG2 VAL 54 7.403 -12.664 6.544 460 H THR 55 H THR 55 9.994 -9.418 6.475 461 HA THR 55 HA THR 55 10.356 -9.836 3.652 462 HB THR 55 HB THR 55 10.869 -7.078 4.784 463 HG1 THR 55 1HG THR 55 8.781 -6.965 4.419 464 HG21 THR 55 3HG2 THR 55 12.045 -6.622 2.975 465 HG22 THR 55 1HG2 THR 55 10.743 -7.205 1.932 466 HG23 THR 55 2HG2 THR 55 11.964 -8.327 2.530 467 H GLU 56 H GLU 56 11.369 -10.894 6.178 468 HA GLU 56 HA GLU 56 14.222 -10.229 5.874 469 HB2 GLU 56 2HB GLU 56 12.772 -9.893 8.142 470 HB3 GLU 56 1HB GLU 56 13.356 -11.529 8.373 471 HG2 GLU 56 2HG GLU 56 15.593 -10.858 8.379 472 HG3 GLU 56 1HG GLU 56 15.207 -9.301 7.637 Start of MODEL 12 1 H1 THR 1 1HT THR 1 13.610 16.287 -6.217 2 H2 THR 1 2HT THR 1 14.036 16.430 -4.561 3 H3 THR 1 3HT THR 1 14.523 17.634 -5.682 4 HA THR 1 HA THR 1 11.849 17.044 -4.642 5 HB THR 1 HB THR 1 13.377 18.569 -3.413 6 HG1 THR 1 1HG THR 1 11.122 19.737 -4.662 7 HG21 THR 1 3HG2 THR 1 13.780 20.820 -4.394 8 HG22 THR 1 1HG2 THR 1 13.313 20.166 -5.957 9 HG23 THR 1 2HG2 THR 1 14.725 19.527 -5.117 10 H THR 2 H THR 2 13.658 18.228 -7.378 11 HA THR 2 HA THR 2 13.037 18.853 -9.474 12 HB THR 2 HB THR 2 10.239 17.928 -8.863 13 HG1 THR 2 1HG THR 2 10.918 15.839 -9.307 14 HG21 THR 2 3HG2 THR 2 11.667 17.258 -11.364 15 HG22 THR 2 1HG2 THR 2 11.133 18.925 -11.147 16 HG23 THR 2 2HG2 THR 2 9.961 17.609 -11.085 17 H TYR 3 H TYR 3 12.588 20.808 -10.285 18 HA TYR 3 HA TYR 3 11.585 22.858 -8.671 19 HB2 TYR 3 2HB TYR 3 12.868 22.682 -11.141 20 HB3 TYR 3 1HB TYR 3 11.330 23.460 -11.496 21 HD1 TYR 3 2HD TYR 3 10.855 25.076 -9.115 22 HD2 TYR 3 1HD TYR 3 14.480 24.350 -11.217 23 HE1 TYR 3 2HE TYR 3 11.749 27.217 -8.303 24 HE2 TYR 3 1HE TYR 3 15.385 26.481 -10.415 25 HH TYR 3 HH TYR 3 14.091 28.825 -9.562 26 H LYS 4 H LYS 4 10.006 20.681 -10.868 27 HA LYS 4 HA LYS 4 7.572 22.196 -11.051 28 HB2 LYS 4 2HB LYS 4 8.546 19.559 -12.022 29 HB3 LYS 4 1HB LYS 4 6.806 19.773 -11.878 30 HG2 LYS 4 2HG LYS 4 6.721 21.346 -13.533 31 HG3 LYS 4 1HG LYS 4 8.393 21.855 -13.284 32 HD2 LYS 4 2HD LYS 4 8.088 19.068 -14.146 33 HD3 LYS 4 1HD LYS 4 7.529 20.259 -15.322 34 HE2 LYS 4 2HE LYS 4 9.628 20.674 -15.911 35 HE3 LYS 4 1HE LYS 4 10.004 21.162 -14.259 36 HZ1 LYS 4 3HZ LYS 4 11.373 19.295 -15.216 37 HZ2 LYS 4 1HZ LYS 4 9.990 18.325 -15.107 38 HZ3 LYS 4 2HZ LYS 4 10.667 18.993 -13.708 39 H LEU 5 H LEU 5 6.006 22.270 -9.576 40 HA LEU 5 HA LEU 5 6.069 20.541 -7.270 41 HB2 LEU 5 2HB LEU 5 4.133 22.701 -8.089 42 HB3 LEU 5 1HB LEU 5 4.132 21.885 -6.541 43 HG LEU 5 HG LEU 5 5.510 24.241 -7.273 44 HD11 LEU 5 1HD1 LEU 5 4.528 23.929 -5.140 45 HD12 LEU 5 2HD1 LEU 5 6.266 24.103 -4.894 46 HD13 LEU 5 3HD1 LEU 5 5.520 22.502 -4.826 47 HD21 LEU 5 3HD2 LEU 5 7.363 21.914 -6.779 48 HD22 LEU 5 1HD2 LEU 5 7.815 23.596 -6.470 49 HD23 LEU 5 2HD2 LEU 5 7.398 23.077 -8.105 50 H ILE 6 H ILE 6 5.678 18.935 -9.437 51 HA ILE 6 HA ILE 6 2.824 18.409 -9.654 52 HB ILE 6 HB ILE 6 4.352 18.468 -11.672 53 HG12 ILE 6 2HG1 ILE 6 3.284 16.467 -12.708 54 HG13 ILE 6 1HG1 ILE 6 2.736 15.978 -11.108 55 HG21 ILE 6 1HG2 ILE 6 5.158 15.677 -11.231 56 HG22 ILE 6 2HG2 ILE 6 5.982 16.865 -10.221 57 HG23 ILE 6 3HG2 ILE 6 6.035 17.013 -11.977 58 HD11 ILE 6 3HD1 ILE 6 1.911 18.631 -11.422 59 HD12 ILE 6 1HD1 ILE 6 0.911 17.178 -11.435 60 HD13 ILE 6 2HD1 ILE 6 1.554 17.819 -12.946 61 H LEU 7 H LEU 7 3.906 17.919 -7.123 62 HA LEU 7 HA LEU 7 4.143 14.996 -6.994 63 HB2 LEU 7 2HB LEU 7 4.618 16.952 -4.755 64 HB3 LEU 7 1HB LEU 7 5.092 15.266 -4.821 65 HG LEU 7 HG LEU 7 6.411 16.270 -6.987 66 HD11 LEU 7 1HD1 LEU 7 7.557 18.312 -5.703 67 HD12 LEU 7 2HD1 LEU 7 5.912 18.479 -5.089 68 HD13 LEU 7 3HD1 LEU 7 6.213 18.518 -6.827 69 HD21 LEU 7 3HD2 LEU 7 7.325 14.799 -5.263 70 HD22 LEU 7 1HD2 LEU 7 7.410 16.160 -4.144 71 HD23 LEU 7 2HD2 LEU 7 8.409 16.149 -5.597 72 H ASN 8 H ASN 8 2.129 14.170 -6.969 73 HA ASN 8 HA ASN 8 0.298 15.160 -4.881 74 HB2 ASN 8 2HB ASN 8 -0.607 13.883 -7.460 75 HB3 ASN 8 1HB ASN 8 -1.583 14.759 -6.277 76 HD21 ASN 8 1HD2 ASN 8 -0.356 14.983 -9.248 77 HD22 ASN 8 2HD2 ASN 8 -0.150 16.694 -9.380 78 H LEU 9 H LEU 9 -0.404 13.714 -3.459 79 HA LEU 9 HA LEU 9 0.726 11.229 -3.118 80 HB2 LEU 9 2HB LEU 9 -1.171 10.756 -1.580 81 HB3 LEU 9 1HB LEU 9 -0.364 12.286 -1.293 82 HG LEU 9 HG LEU 9 -2.749 12.372 -3.046 83 HD11 LEU 9 1HD1 LEU 9 -3.026 10.836 -0.860 84 HD12 LEU 9 2HD1 LEU 9 -4.316 11.844 -1.518 85 HD13 LEU 9 3HD1 LEU 9 -3.346 12.424 -0.164 86 HD21 LEU 9 3HD2 LEU 9 -2.590 14.536 -2.565 87 HD22 LEU 9 1HD2 LEU 9 -1.117 14.186 -1.661 88 HD23 LEU 9 2HD2 LEU 9 -2.676 14.207 -0.835 89 H LYS 10 H LYS 10 -2.059 12.092 -5.036 90 HA LYS 10 HA LYS 10 -3.471 9.843 -5.390 91 HB2 LYS 10 2HB LYS 10 -4.397 11.068 -7.002 92 HB3 LYS 10 1HB LYS 10 -3.097 12.227 -6.810 93 HG2 LYS 10 2HG LYS 10 -2.569 9.905 -8.575 94 HG3 LYS 10 1HG LYS 10 -3.715 11.117 -9.142 95 HD2 LYS 10 2HD LYS 10 -2.130 12.748 -9.303 96 HD3 LYS 10 1HD LYS 10 -1.152 12.078 -7.996 97 HE2 LYS 10 2HE LYS 10 -0.500 10.223 -9.511 98 HE3 LYS 10 1HE LYS 10 -1.384 11.020 -10.811 99 HZ1 LYS 10 3HZ LYS 10 0.151 13.016 -10.077 100 HZ2 LYS 10 1HZ LYS 10 0.676 11.852 -11.189 101 HZ3 LYS 10 2HZ LYS 10 1.157 11.753 -9.570 102 H GLN 11 H GLN 11 -0.437 10.511 -7.164 103 HA GLN 11 HA GLN 11 -0.285 8.219 -8.677 104 HB2 GLN 11 2HB GLN 11 2.248 8.436 -8.378 105 HB3 GLN 11 1HB GLN 11 1.396 9.818 -9.050 106 HG2 GLN 11 2HG GLN 11 2.037 11.139 -7.390 107 HG3 GLN 11 1HG GLN 11 1.566 9.958 -6.165 108 HE21 GLN 11 1HE2 GLN 11 4.140 11.235 -8.077 109 HE22 GLN 11 2HE2 GLN 11 5.425 10.376 -7.308 110 H ALA 12 H ALA 12 0.425 8.635 -5.269 111 HA ALA 12 HA ALA 12 1.423 5.959 -4.917 112 HB1 ALA 12 1HB ALA 12 1.849 8.174 -3.522 113 HB2 ALA 12 2HB ALA 12 1.927 6.575 -2.781 114 HB3 ALA 12 3HB ALA 12 0.474 7.560 -2.603 115 H LYS 13 H LYS 13 -1.638 7.619 -4.670 116 HA LYS 13 HA LYS 13 -3.041 5.754 -3.126 117 HB2 LYS 13 2HB LYS 13 -4.453 7.487 -3.319 118 HB3 LYS 13 1HB LYS 13 -3.654 8.073 -4.771 119 HG2 LYS 13 2HG LYS 13 -5.585 5.776 -4.858 120 HG3 LYS 13 1HG LYS 13 -6.130 7.454 -4.915 121 HD2 LYS 13 2HD LYS 13 -3.946 6.991 -6.749 122 HD3 LYS 13 1HD LYS 13 -5.285 5.884 -7.059 123 HE2 LYS 13 2HE LYS 13 -6.249 8.559 -6.566 124 HE3 LYS 13 1HE LYS 13 -5.060 8.551 -7.868 125 HZ1 LYS 13 3HZ LYS 13 -7.723 7.393 -7.781 126 HZ2 LYS 13 1HZ LYS 13 -6.542 6.459 -8.553 127 HZ3 LYS 13 2HZ LYS 13 -6.860 8.031 -9.089 128 H GLU 14 H GLU 14 -2.266 5.911 -6.538 129 HA GLU 14 HA GLU 14 -3.857 3.622 -7.251 130 HB2 GLU 14 2HB GLU 14 -3.400 5.365 -8.907 131 HB3 GLU 14 1HB GLU 14 -1.673 5.072 -8.766 132 HG2 GLU 14 2HG GLU 14 -2.248 3.956 -10.706 133 HG3 GLU 14 1HG GLU 14 -2.230 2.675 -9.496 134 H GLU 15 H GLU 15 -0.575 4.287 -6.274 135 HA GLU 15 HA GLU 15 0.757 1.987 -7.044 136 HB2 GLU 15 2HB GLU 15 1.057 4.016 -4.934 137 HB3 GLU 15 1HB GLU 15 1.806 2.470 -4.562 138 HG2 GLU 15 2HG GLU 15 2.327 4.183 -6.978 139 HG3 GLU 15 1HG GLU 15 3.393 3.950 -5.591 140 H ALA 16 H ALA 16 -1.122 2.574 -4.088 141 HA ALA 16 HA ALA 16 -0.828 -0.079 -3.089 142 HB1 ALA 16 1HB ALA 16 -1.298 1.925 -1.681 143 HB2 ALA 16 2HB ALA 16 -2.380 0.565 -1.384 144 HB3 ALA 16 3HB ALA 16 -2.933 1.941 -2.339 145 H ILE 17 H ILE 17 -3.411 1.641 -4.818 146 HA ILE 17 HA ILE 17 -5.376 -0.308 -4.765 147 HB ILE 17 HB ILE 17 -4.716 1.923 -6.618 148 HG12 ILE 17 2HG1 ILE 17 -6.071 2.191 -4.552 149 HG13 ILE 17 1HG1 ILE 17 -6.926 2.678 -6.012 150 HG21 ILE 17 1HG2 ILE 17 -5.262 0.263 -8.261 151 HG22 ILE 17 2HG2 ILE 17 -6.640 1.349 -8.091 152 HG23 ILE 17 3HG2 ILE 17 -6.682 -0.249 -7.346 153 HD11 ILE 17 3HD1 ILE 17 -7.289 0.116 -4.480 154 HD12 ILE 17 1HD1 ILE 17 -8.082 0.497 -6.008 155 HD13 ILE 17 2HD1 ILE 17 -8.415 1.470 -4.576 156 H LYS 18 H LYS 18 -2.665 0.047 -7.031 157 HA LYS 18 HA LYS 18 -3.361 -2.126 -8.693 158 HB2 LYS 18 2HB LYS 18 -1.168 -0.269 -8.428 159 HB3 LYS 18 1HB LYS 18 -0.557 -1.891 -8.723 160 HG2 LYS 18 2HG LYS 18 -2.613 -1.655 -10.539 161 HG3 LYS 18 1HG LYS 18 -1.895 -0.044 -10.520 162 HD2 LYS 18 2HD LYS 18 -0.654 -1.137 -12.149 163 HD3 LYS 18 1HD LYS 18 0.357 -1.305 -10.712 164 HE2 LYS 18 2HE LYS 18 0.368 -3.495 -11.113 165 HE3 LYS 18 1HE LYS 18 -1.323 -3.507 -10.618 166 HZ1 LYS 18 3HZ LYS 18 -0.810 -4.521 -12.845 167 HZ2 LYS 18 1HZ LYS 18 -0.486 -2.958 -13.405 168 HZ3 LYS 18 2HZ LYS 18 -2.031 -3.350 -12.840 169 H GLU 19 H GLU 19 -1.099 -1.888 -5.959 170 HA GLU 19 HA GLU 19 -0.307 -4.596 -5.984 171 HB2 GLU 19 2HB GLU 19 -0.345 -2.720 -3.617 172 HB3 GLU 19 1HB GLU 19 0.673 -4.140 -3.827 173 HG2 GLU 19 2HG GLU 19 0.844 -1.969 -5.847 174 HG3 GLU 19 1HG GLU 19 1.574 -1.705 -4.263 175 H LEU 20 H LEU 20 -2.937 -2.884 -4.429 176 HA LEU 20 HA LEU 20 -3.708 -4.937 -2.644 177 HB2 LEU 20 2HB LEU 20 -4.733 -2.351 -3.537 178 HB3 LEU 20 1HB LEU 20 -6.011 -3.498 -3.190 179 HG LEU 20 HG LEU 20 -4.892 -3.855 -0.938 180 HD11 LEU 20 1HD1 LEU 20 -3.675 -1.203 -1.104 181 HD12 LEU 20 2HD1 LEU 20 -2.827 -2.487 -1.973 182 HD13 LEU 20 3HD1 LEU 20 -3.156 -2.655 -0.247 183 HD21 LEU 20 3HD2 LEU 20 -6.110 -2.133 0.045 184 HD22 LEU 20 1HD2 LEU 20 -6.930 -2.404 -1.492 185 HD23 LEU 20 2HD2 LEU 20 -5.829 -1.039 -1.309 186 H VAL 21 H VAL 21 -4.848 -4.050 -5.887 187 HA VAL 21 HA VAL 21 -6.864 -6.042 -6.005 188 HB VAL 21 HB VAL 21 -5.482 -4.750 -8.355 189 HG11 VAL 21 1HG1 VAL 21 -7.266 -6.764 -8.385 190 HG12 VAL 21 2HG1 VAL 21 -7.141 -5.548 -9.656 191 HG13 VAL 21 3HG1 VAL 21 -8.359 -5.380 -8.392 192 HG21 VAL 21 3HG2 VAL 21 -8.018 -3.580 -7.545 193 HG22 VAL 21 1HG2 VAL 21 -6.491 -2.799 -7.952 194 HG23 VAL 21 2HG2 VAL 21 -6.766 -3.398 -6.317 195 H ASP 22 H ASP 22 -3.464 -6.006 -6.776 196 HA ASP 22 HA ASP 22 -3.464 -8.407 -8.314 197 HB2 ASP 22 2HB ASP 22 -1.725 -6.469 -8.247 198 HB3 ASP 22 1HB ASP 22 -1.036 -7.367 -6.897 199 H ALA 23 H ALA 23 -3.337 -7.747 -4.900 200 HA ALA 23 HA ALA 23 -3.088 -10.639 -4.424 201 HB1 ALA 23 1HB ALA 23 -1.595 -8.690 -2.690 202 HB2 ALA 23 2HB ALA 23 -0.865 -9.423 -4.121 203 HB3 ALA 23 3HB ALA 23 -1.414 -10.443 -2.792 204 H GLY 24 H GLY 24 -4.127 -11.438 -2.586 205 HA2 GLY 24 2HA GLY 24 -6.485 -10.279 -1.760 206 HA3 GLY 24 1HA GLY 24 -5.590 -11.464 -0.801 207 H THR 25 H THR 25 -6.840 -8.402 -0.794 208 HA THR 25 HA THR 25 -5.147 -7.624 1.477 209 HB THR 25 HB THR 25 -4.386 -6.549 -0.631 210 HG1 THR 25 1HG THR 25 -3.949 -4.812 0.480 211 HG21 THR 25 3HG2 THR 25 -6.626 -4.672 -0.685 212 HG22 THR 25 1HG2 THR 25 -7.007 -6.294 -1.264 213 HG23 THR 25 2HG2 THR 25 -5.698 -5.380 -2.004 214 H ALA 26 H ALA 26 -6.326 -5.033 1.659 215 HA ALA 26 HA ALA 26 -9.172 -5.492 2.131 216 HB1 ALA 26 1HB ALA 26 -7.376 -5.648 4.201 217 HB2 ALA 26 2HB ALA 26 -9.096 -5.278 4.361 218 HB3 ALA 26 3HB ALA 26 -7.912 -3.972 4.284 219 H GLU 27 H GLU 27 -10.015 -4.012 0.815 220 HA GLU 27 HA GLU 27 -9.051 -1.842 -0.394 221 HB2 GLU 27 2HB GLU 27 -11.399 -0.787 -0.069 222 HB3 GLU 27 1HB GLU 27 -11.252 -2.314 -0.928 223 HG2 GLU 27 2HG GLU 27 -12.262 -3.501 0.720 224 HG3 GLU 27 1HG GLU 27 -11.713 -2.412 1.993 225 H LYS 28 H LYS 28 -9.942 -1.890 3.000 226 HA LYS 28 HA LYS 28 -10.037 0.785 3.609 227 HB2 LYS 28 2HB LYS 28 -8.574 -1.152 5.390 228 HB3 LYS 28 1HB LYS 28 -9.553 0.232 5.848 229 HG2 LYS 28 2HG LYS 28 -10.505 -2.401 4.749 230 HG3 LYS 28 1HG LYS 28 -10.776 -1.740 6.363 231 HD2 LYS 28 2HD LYS 28 -11.711 0.121 4.401 232 HD3 LYS 28 1HD LYS 28 -12.406 -1.469 4.080 233 HE2 LYS 28 2HE LYS 28 -13.939 -0.803 5.588 234 HE3 LYS 28 1HE LYS 28 -12.724 -1.340 6.748 235 HZ1 LYS 28 3HZ LYS 28 -13.546 0.854 7.305 236 HZ2 LYS 28 1HZ LYS 28 -13.094 1.445 5.785 237 HZ3 LYS 28 2HZ LYS 28 -11.909 0.940 6.878 238 H TYR 29 H TYR 29 -7.239 -1.047 2.670 239 HA TYR 29 HA TYR 29 -5.305 0.746 3.749 240 HB2 TYR 29 2HB TYR 29 -4.893 -1.163 1.433 241 HB3 TYR 29 1HB TYR 29 -3.651 -0.430 2.450 242 HD1 TYR 29 1HD TYR 29 -4.134 -0.862 5.092 243 HD2 TYR 29 2HD TYR 29 -5.352 -3.369 1.884 244 HE1 TYR 29 1HE TYR 29 -4.243 -2.771 6.636 245 HE2 TYR 29 2HE TYR 29 -5.465 -5.287 3.413 246 HH TYR 29 HH TYR 29 -4.122 -5.740 5.891 247 H PHE 30 H PHE 30 -6.432 0.312 0.356 248 HA PHE 30 HA PHE 30 -4.934 2.467 -0.628 249 HB2 PHE 30 2HB PHE 30 -6.328 2.410 -2.614 250 HB3 PHE 30 1HB PHE 30 -5.913 0.779 -2.116 251 HD1 PHE 30 1HD PHE 30 -8.663 3.229 -1.383 252 HD2 PHE 30 2HD PHE 30 -7.555 -0.746 -2.423 253 HE1 PHE 30 1HE PHE 30 -11.035 2.596 -1.472 254 HE2 PHE 30 2HE PHE 30 -9.929 -1.386 -2.508 255 HZ PHE 30 HZ PHE 30 -11.672 0.285 -2.034 256 H LYS 31 H LYS 31 -7.861 2.407 1.183 257 HA LYS 31 HA LYS 31 -8.644 5.096 0.457 258 HB2 LYS 31 2HB LYS 31 -9.798 2.886 1.942 259 HB3 LYS 31 1HB LYS 31 -9.962 4.397 2.825 260 HG2 LYS 31 2HG LYS 31 -10.817 5.310 0.536 261 HG3 LYS 31 1HG LYS 31 -11.114 3.604 0.196 262 HD2 LYS 31 2HD LYS 31 -12.127 3.937 2.742 263 HD3 LYS 31 1HD LYS 31 -12.557 5.445 1.932 264 HE2 LYS 31 2HE LYS 31 -14.063 4.440 0.606 265 HE3 LYS 31 1HE LYS 31 -13.022 3.046 0.319 266 HZ1 LYS 31 3HZ LYS 31 -14.565 2.016 1.554 267 HZ2 LYS 31 1HZ LYS 31 -15.093 3.436 2.309 268 HZ3 LYS 31 2HZ LYS 31 -13.697 2.653 2.859 269 H LEU 32 H LEU 32 -6.930 3.459 3.021 270 HA LEU 32 HA LEU 32 -6.781 5.686 4.790 271 HB2 LEU 32 2HB LEU 32 -5.975 2.937 4.752 272 HB3 LEU 32 1HB LEU 32 -4.608 3.927 5.250 273 HG LEU 32 HG LEU 32 -7.309 4.188 6.551 274 HD11 LEU 32 1HD1 LEU 32 -6.103 1.829 6.582 275 HD12 LEU 32 2HD1 LEU 32 -6.909 2.490 8.001 276 HD13 LEU 32 3HD1 LEU 32 -5.160 2.612 7.849 277 HD21 LEU 32 3HD2 LEU 32 -5.330 5.887 6.728 278 HD22 LEU 32 1HD2 LEU 32 -4.665 4.688 7.837 279 HD23 LEU 32 2HD2 LEU 32 -6.235 5.420 8.168 280 H ILE 33 H ILE 33 -4.570 4.268 2.406 281 HA ILE 33 HA ILE 33 -2.463 6.102 2.902 282 HB ILE 33 HB ILE 33 -1.598 5.325 0.663 283 HG12 ILE 33 2HG1 ILE 33 -3.137 2.955 0.446 284 HG13 ILE 33 1HG1 ILE 33 -4.270 4.301 0.487 285 HG21 ILE 33 1HG2 ILE 33 -0.647 3.494 1.631 286 HG22 ILE 33 2HG2 ILE 33 -2.170 2.924 2.313 287 HG23 ILE 33 3HG2 ILE 33 -1.317 4.273 3.065 288 HD11 ILE 33 3HD1 ILE 33 -2.105 3.727 -1.485 289 HD12 ILE 33 1HD1 ILE 33 -2.758 5.352 -1.297 290 HD13 ILE 33 2HD1 ILE 33 -3.820 4.024 -1.767 291 H ALA 34 H ALA 34 -5.068 6.011 0.494 292 HA ALA 34 HA ALA 34 -4.263 8.184 -1.057 293 HB1 ALA 34 1HB ALA 34 -6.121 6.553 -1.557 294 HB2 ALA 34 2HB ALA 34 -6.476 8.245 -1.908 295 HB3 ALA 34 3HB ALA 34 -7.129 7.489 -0.454 296 H ASN 35 H ASN 35 -5.598 8.054 2.121 297 HA ASN 35 HA ASN 35 -6.456 10.810 2.150 298 HB2 ASN 35 2HB ASN 35 -7.746 9.324 3.490 299 HB3 ASN 35 1HB ASN 35 -6.307 8.656 4.264 300 HD21 ASN 35 1HD2 ASN 35 -7.005 9.111 6.324 301 HD22 ASN 35 2HD2 ASN 35 -7.103 10.712 6.947 302 H ALA 36 H ALA 36 -3.555 9.060 2.772 303 HA ALA 36 HA ALA 36 -2.299 10.691 4.662 304 HB1 ALA 36 1HB ALA 36 -1.189 9.002 2.438 305 HB2 ALA 36 2HB ALA 36 -1.284 8.624 4.159 306 HB3 ALA 36 3HB ALA 36 -0.165 9.861 3.588 307 H LYS 37 H LYS 37 -0.955 12.475 4.505 308 HA LYS 37 HA LYS 37 -1.491 14.216 2.257 309 HB2 LYS 37 2HB LYS 37 -0.197 14.541 4.937 310 HB3 LYS 37 1HB LYS 37 0.088 15.749 3.684 311 HG2 LYS 37 2HG LYS 37 -1.715 16.491 5.061 312 HG3 LYS 37 1HG LYS 37 -2.369 16.041 3.486 313 HD2 LYS 37 2HD LYS 37 -3.599 14.361 4.339 314 HD3 LYS 37 1HD LYS 37 -2.315 13.858 5.442 315 HE2 LYS 37 2HE LYS 37 -3.508 16.435 6.136 316 HE3 LYS 37 1HE LYS 37 -4.650 15.088 6.172 317 HZ1 LYS 37 3HZ LYS 37 -3.054 13.895 7.608 318 HZ2 LYS 37 1HZ LYS 37 -3.642 15.323 8.315 319 HZ3 LYS 37 2HZ LYS 37 -2.085 15.284 7.656 320 H THR 38 H THR 38 1.142 12.292 3.491 321 HA THR 38 HA THR 38 2.899 13.338 1.377 322 HB THR 38 HB THR 38 4.710 12.142 2.705 323 HG1 THR 38 1HG THR 38 3.454 10.823 3.993 324 HG21 THR 38 3HG2 THR 38 4.699 13.841 4.579 325 HG22 THR 38 1HG2 THR 38 3.223 14.471 3.848 326 HG23 THR 38 2HG2 THR 38 4.729 14.460 2.930 327 H VAL 39 H VAL 39 3.735 12.014 -0.155 328 HA VAL 39 HA VAL 39 2.365 9.651 -0.813 329 HB VAL 39 HB VAL 39 4.101 9.325 -2.541 330 HG11 VAL 39 1HG1 VAL 39 2.599 10.674 -3.523 331 HG12 VAL 39 2HG1 VAL 39 3.849 11.905 -3.351 332 HG13 VAL 39 3HG1 VAL 39 2.555 11.791 -2.159 333 HG21 VAL 39 3HG2 VAL 39 6.074 10.020 -1.384 334 HG22 VAL 39 1HG2 VAL 39 5.428 11.643 -1.144 335 HG23 VAL 39 2HG2 VAL 39 5.854 11.094 -2.765 336 H GLU 40 H GLU 40 5.426 10.210 0.841 337 HA GLU 40 HA GLU 40 6.529 7.681 0.801 338 HB2 GLU 40 2HB GLU 40 6.545 9.588 3.146 339 HB3 GLU 40 1HB GLU 40 7.696 8.291 2.850 340 HG2 GLU 40 2HG GLU 40 8.868 9.490 1.363 341 HG3 GLU 40 1HG GLU 40 7.426 10.229 0.665 342 H GLY 41 H GLY 41 3.781 8.834 2.591 343 HA2 GLY 41 2HA GLY 41 3.697 6.640 4.447 344 HA3 GLY 41 1HA GLY 41 2.428 7.827 4.172 345 H VAL 42 H VAL 42 2.271 7.381 1.342 346 HA VAL 42 HA VAL 42 0.472 5.142 1.368 347 HB VAL 42 HB VAL 42 1.332 6.975 -0.871 348 HG11 VAL 42 1HG1 VAL 42 0.552 5.215 -2.092 349 HG12 VAL 42 2HG1 VAL 42 -0.974 6.039 -1.769 350 HG13 VAL 42 3HG1 VAL 42 -0.503 4.642 -0.800 351 HG21 VAL 42 3HG2 VAL 42 0.097 8.399 0.370 352 HG22 VAL 42 1HG2 VAL 42 -0.753 7.102 1.209 353 HG23 VAL 42 2HG2 VAL 42 -1.246 7.571 -0.418 354 H TRP 43 H TRP 43 3.548 5.924 -0.231 355 HA TRP 43 HA TRP 43 3.705 3.522 -1.713 356 HB2 TRP 43 2HB TRP 43 5.743 5.583 -0.879 357 HB3 TRP 43 1HB TRP 43 6.237 4.141 -1.760 358 HD1 TRP 43 HD TRP 43 4.167 7.358 -2.212 359 HE1 TRP 43 1HE TRP 43 3.891 7.801 -4.726 360 HE3 TRP 43 3HE TRP 43 6.177 3.018 -4.036 361 HZ2 TRP 43 2HZ TRP 43 4.436 6.492 -7.160 362 HZ3 TRP 43 3HZ TRP 43 6.246 2.692 -6.474 363 HH2 TRP 43 HH TRP 43 5.396 4.395 -8.001 364 H THR 44 H THR 44 4.455 4.314 1.580 365 HA THR 44 HA THR 44 6.108 2.005 2.045 366 HB THR 44 HB THR 44 5.702 2.663 4.491 367 HG1 THR 44 1HG THR 44 3.836 3.861 4.259 368 HG21 THR 44 3HG2 THR 44 7.723 3.478 3.974 369 HG22 THR 44 1HG2 THR 44 6.876 5.025 3.986 370 HG23 THR 44 2HG2 THR 44 7.169 4.192 2.460 371 H LEU 45 H LEU 45 2.761 2.944 2.727 372 HA LEU 45 HA LEU 45 2.051 0.571 4.091 373 HB2 LEU 45 2HB LEU 45 0.831 2.991 3.536 374 HB3 LEU 45 1HB LEU 45 -0.129 1.840 2.626 375 HD11 LEU 45 1HD1 LEU 45 -0.099 1.929 6.844 376 HD12 LEU 45 2HD1 LEU 45 0.121 3.372 5.854 377 HD13 LEU 45 3HD1 LEU 45 1.415 2.181 5.976 378 HD21 LEU 45 3HD2 LEU 45 -1.866 2.937 4.561 379 HD22 LEU 45 1HD2 LEU 45 -2.250 1.438 5.406 380 HD23 LEU 45 2HD2 LEU 45 -2.061 1.439 3.652 381 H LYS 46 H LYS 46 1.755 1.565 0.698 382 HA LYS 46 HA LYS 46 0.374 -0.709 -0.203 383 HB2 LYS 46 2HB LYS 46 1.091 -0.073 -2.444 384 HB3 LYS 46 1HB LYS 46 0.569 1.342 -1.542 385 HG2 LYS 46 2HG LYS 46 2.458 2.208 -2.398 386 HG3 LYS 46 1HG LYS 46 3.181 1.425 -0.994 387 HD2 LYS 46 2HD LYS 46 3.541 -0.598 -2.472 388 HD3 LYS 46 1HD LYS 46 3.094 0.432 -3.834 389 HE2 LYS 46 2HE LYS 46 4.916 2.023 -2.857 390 HE3 LYS 46 1HE LYS 46 5.497 0.560 -2.063 391 HZ1 LYS 46 3HZ LYS 46 6.520 1.065 -4.274 392 HZ2 LYS 46 1HZ LYS 46 5.020 0.732 -4.984 393 HZ3 LYS 46 2HZ LYS 46 5.845 -0.480 -4.142 394 H ASP 47 H ASP 47 3.809 -0.033 0.211 395 HA ASP 47 HA ASP 47 4.836 -2.312 -1.059 396 HB2 ASP 47 2HB ASP 47 6.037 -0.217 0.004 397 HB3 ASP 47 1HB ASP 47 6.121 -1.245 1.431 398 H GLU 48 H GLU 48 3.565 -1.764 2.169 399 HA GLU 48 HA GLU 48 4.267 -4.272 3.277 400 HB2 GLU 48 2HB GLU 48 2.044 -2.344 3.968 401 HB3 GLU 48 1HB GLU 48 2.433 -3.769 4.921 402 HG2 GLU 48 2HG GLU 48 4.861 -2.548 4.728 403 HG3 GLU 48 1HG GLU 48 3.761 -1.172 4.790 404 H ILE 49 H ILE 49 1.762 -3.224 1.140 405 HA ILE 49 HA ILE 49 0.022 -5.476 1.520 406 HB ILE 49 HB ILE 49 0.147 -3.566 -0.816 407 HG12 ILE 49 2HG1 ILE 49 -0.136 -2.478 1.438 408 HG13 ILE 49 1HG1 ILE 49 -1.460 -2.202 0.315 409 HG21 ILE 49 1HG2 ILE 49 -2.123 -5.283 0.172 410 HG22 ILE 49 2HG2 ILE 49 -1.090 -5.668 -1.202 411 HG23 ILE 49 3HG2 ILE 49 -2.126 -4.244 -1.251 412 HD11 ILE 49 3HD1 ILE 49 -1.635 -4.450 2.260 413 HD12 ILE 49 1HD1 ILE 49 -2.922 -3.498 1.521 414 HD13 ILE 49 2HD1 ILE 49 -1.933 -2.798 2.801 415 H LYS 50 H LYS 50 2.508 -4.530 -0.816 416 HA LYS 50 HA LYS 50 2.206 -6.636 -2.626 417 HB2 LYS 50 2HB LYS 50 3.668 -4.502 -2.773 418 HB3 LYS 50 1HB LYS 50 4.891 -5.464 -1.956 419 HG2 LYS 50 2HG LYS 50 3.562 -6.336 -4.506 420 HG3 LYS 50 1HG LYS 50 5.043 -5.376 -4.465 421 HD2 LYS 50 2HD LYS 50 5.589 -7.429 -2.715 422 HD3 LYS 50 1HD LYS 50 4.639 -8.225 -3.972 423 HE2 LYS 50 2HE LYS 50 6.605 -8.390 -5.044 424 HE3 LYS 50 1HE LYS 50 6.323 -6.701 -5.463 425 HZ1 LYS 50 3HZ LYS 50 7.828 -5.971 -3.918 426 HZ2 LYS 50 1HZ LYS 50 8.554 -7.428 -4.381 427 HZ3 LYS 50 2HZ LYS 50 7.678 -7.341 -2.937 428 H THR 51 H THR 51 3.783 -6.484 0.487 429 HA THR 51 HA THR 51 4.840 -9.197 0.134 430 HB THR 51 HB THR 51 5.293 -7.633 2.633 431 HG1 THR 51 1HG THR 51 6.433 -7.036 0.116 432 HG21 THR 51 3HG2 THR 51 7.697 -8.529 1.907 433 HG22 THR 51 1HG2 THR 51 6.679 -9.729 1.100 434 HG23 THR 51 2HG2 THR 51 6.546 -9.486 2.843 435 H PHE 52 H PHE 52 2.864 -7.287 2.379 436 HA PHE 52 HA PHE 52 1.371 -7.882 3.996 437 HB2 PHE 52 2HB PHE 52 0.615 -9.018 1.526 438 HB3 PHE 52 1HB PHE 52 0.282 -10.229 2.754 439 HD1 PHE 52 1HD PHE 52 -1.124 -9.537 4.758 440 HD2 PHE 52 2HD PHE 52 -0.814 -7.203 1.216 441 HE1 PHE 52 1HE PHE 52 -3.188 -8.345 5.369 442 HE2 PHE 52 2HE PHE 52 -2.874 -5.999 1.819 443 HZ PHE 52 HZ PHE 52 -4.064 -6.572 3.897 444 H THR 53 H THR 53 4.038 -9.226 4.069 445 HA THR 53 HA THR 53 3.528 -11.853 5.130 446 HB THR 53 HB THR 53 5.972 -10.151 4.737 447 HG1 THR 53 1HG THR 53 6.537 -11.809 3.403 448 HG21 THR 53 3HG2 THR 53 6.062 -12.799 6.155 449 HG22 THR 53 1HG2 THR 53 6.281 -11.239 6.944 450 HG23 THR 53 2HG2 THR 53 7.414 -11.776 5.711 451 H VAL 54 H VAL 54 4.444 -8.676 6.407 452 HA VAL 54 HA VAL 54 4.436 -9.624 9.139 453 HB VAL 54 HB VAL 54 4.728 -7.182 9.692 454 HG11 VAL 54 1HG1 VAL 54 6.588 -8.805 8.048 455 HG12 VAL 54 2HG1 VAL 54 6.756 -8.222 9.705 456 HG13 VAL 54 3HG1 VAL 54 7.010 -7.123 8.355 457 HG21 VAL 54 3HG2 VAL 54 4.689 -5.553 8.132 458 HG22 VAL 54 1HG2 VAL 54 3.684 -6.705 7.258 459 HG23 VAL 54 2HG2 VAL 54 5.398 -6.581 6.887 460 H THR 55 H THR 55 3.090 -8.621 10.806 461 HA THR 55 HA THR 55 0.494 -7.658 9.851 462 HB THR 55 HB THR 55 0.719 -9.808 11.950 463 HG1 THR 55 1HG THR 55 0.145 -10.075 9.191 464 HG21 THR 55 3HG2 THR 55 -1.692 -9.255 10.291 465 HG22 THR 55 1HG2 THR 55 -1.354 -8.270 11.714 466 HG23 THR 55 2HG2 THR 55 -1.567 -10.014 11.880 467 H GLU 56 H GLU 56 -0.646 -6.369 11.319 468 HA GLU 56 HA GLU 56 0.986 -5.388 13.560 469 HB2 GLU 56 2HB GLU 56 -0.313 -3.309 13.383 470 HB3 GLU 56 1HB GLU 56 0.505 -3.700 11.879 471 HG2 GLU 56 2HG GLU 56 -1.418 -3.508 10.812 472 HG3 GLU 56 1HG GLU 56 -2.034 -4.888 11.728 Start of MODEL 13 1 H1 THR 1 1HT THR 1 8.023 31.554 -10.165 2 H2 THR 1 2HT THR 1 8.613 31.568 -11.776 3 H3 THR 1 3HT THR 1 7.319 30.527 -11.341 4 HA THR 1 HA THR 1 6.059 32.564 -10.739 5 HB THR 1 HB THR 1 6.852 34.616 -11.877 6 HG1 THR 1 1HG THR 1 8.198 33.994 -13.435 7 HG21 THR 1 3HG2 THR 1 9.151 33.753 -10.193 8 HG22 THR 1 1HG2 THR 1 7.555 33.946 -9.469 9 HG23 THR 1 2HG2 THR 1 8.331 35.313 -10.269 10 H THR 2 H THR 2 5.501 30.437 -12.161 11 HA THR 2 HA THR 2 4.101 31.422 -14.408 12 HB THR 2 HB THR 2 5.559 29.507 -15.794 13 HG1 THR 2 1HG THR 2 7.303 29.458 -14.532 14 HG21 THR 2 3HG2 THR 2 6.320 32.381 -15.977 15 HG22 THR 2 1HG2 THR 2 4.712 31.849 -16.473 16 HG23 THR 2 2HG2 THR 2 6.142 31.184 -17.255 17 H TYR 3 H TYR 3 5.680 28.373 -13.430 18 HA TYR 3 HA TYR 3 3.157 27.189 -12.737 19 HB2 TYR 3 2HB TYR 3 4.236 26.817 -15.400 20 HB3 TYR 3 1HB TYR 3 4.121 25.280 -14.548 21 HD1 TYR 3 1HD TYR 3 1.750 25.299 -13.050 22 HD2 TYR 3 2HD TYR 3 2.453 27.163 -16.809 23 HE1 TYR 3 1HE TYR 3 -0.658 25.203 -13.541 24 HE2 TYR 3 2HE TYR 3 0.047 27.074 -17.311 25 HH TYR 3 HH TYR 3 -2.185 26.951 -15.605 26 H LYS 4 H LYS 4 3.808 26.436 -10.820 27 HA LYS 4 HA LYS 4 6.432 25.326 -10.417 28 HB2 LYS 4 2HB LYS 4 5.740 25.024 -8.109 29 HB3 LYS 4 1HB LYS 4 5.302 26.638 -8.663 30 HG2 LYS 4 2HG LYS 4 3.062 25.114 -9.222 31 HG3 LYS 4 1HG LYS 4 3.625 24.498 -7.666 32 HD2 LYS 4 2HD LYS 4 3.829 27.036 -7.064 33 HD3 LYS 4 1HD LYS 4 2.687 27.234 -8.399 34 HE2 LYS 4 2HE LYS 4 2.165 25.232 -6.237 35 HE3 LYS 4 1HE LYS 4 1.792 26.933 -5.981 36 HZ1 LYS 4 3HZ LYS 4 0.085 25.206 -7.058 37 HZ2 LYS 4 1HZ LYS 4 0.826 25.776 -8.467 38 HZ3 LYS 4 2HZ LYS 4 0.071 26.862 -7.412 39 H LEU 5 H LEU 5 6.901 23.180 -9.773 40 HA LEU 5 HA LEU 5 5.625 21.178 -11.254 41 HB2 LEU 5 2HB LEU 5 7.450 20.977 -8.862 42 HB3 LEU 5 1HB LEU 5 6.958 19.605 -9.831 43 HG LEU 5 HG LEU 5 9.197 21.257 -10.205 44 HD11 LEU 5 1HD1 LEU 5 9.570 19.787 -12.162 45 HD12 LEU 5 2HD1 LEU 5 7.939 19.152 -11.948 46 HD13 LEU 5 3HD1 LEU 5 9.151 18.913 -10.690 47 HD21 LEU 5 3HD2 LEU 5 7.126 21.697 -12.349 48 HD22 LEU 5 1HD2 LEU 5 8.853 21.961 -12.586 49 HD23 LEU 5 2HD2 LEU 5 7.971 22.917 -11.396 50 H ILE 6 H ILE 6 3.397 21.309 -10.777 51 HA ILE 6 HA ILE 6 2.312 21.064 -8.192 52 HB ILE 6 HB ILE 6 1.006 21.938 -10.051 53 HG12 ILE 6 2HG1 ILE 6 -1.082 20.744 -9.634 54 HG13 ILE 6 1HG1 ILE 6 -0.189 19.365 -9.001 55 HG21 ILE 6 1HG2 ILE 6 2.066 20.072 -11.601 56 HG22 ILE 6 2HG2 ILE 6 0.518 20.830 -11.979 57 HG23 ILE 6 3HG2 ILE 6 0.559 19.244 -11.208 58 HD11 ILE 6 3HD1 ILE 6 -1.199 21.540 -7.580 59 HD12 ILE 6 1HD1 ILE 6 0.551 21.755 -7.600 60 HD13 ILE 6 2HD1 ILE 6 -0.147 20.258 -6.980 61 H LEU 7 H LEU 7 3.133 19.369 -7.028 62 HA LEU 7 HA LEU 7 3.159 16.692 -8.135 63 HB2 LEU 7 2HB LEU 7 3.773 17.643 -5.336 64 HB3 LEU 7 1HB LEU 7 4.081 16.035 -5.963 65 HG LEU 7 HG LEU 7 5.329 18.344 -7.371 66 HD11 LEU 7 1HD1 LEU 7 6.672 17.161 -4.974 67 HD12 LEU 7 2HD1 LEU 7 5.611 18.560 -4.813 68 HD13 LEU 7 3HD1 LEU 7 7.041 18.652 -5.841 69 HD21 LEU 7 3HD2 LEU 7 6.711 16.778 -8.215 70 HD22 LEU 7 1HD2 LEU 7 5.411 15.678 -7.757 71 HD23 LEU 7 2HD2 LEU 7 6.804 15.886 -6.697 72 H ASN 8 H ASN 8 2.151 14.886 -6.856 73 HA ASN 8 HA ASN 8 -0.187 15.599 -5.301 74 HB2 ASN 8 2HB ASN 8 -0.343 14.811 -8.126 75 HB3 ASN 8 1HB ASN 8 -1.380 13.860 -7.058 76 HD21 ASN 8 1HD2 ASN 8 -2.784 15.166 -8.733 77 HD22 ASN 8 2HD2 ASN 8 -3.463 16.621 -8.094 78 H LEU 9 H LEU 9 -1.271 13.747 -4.380 79 HA LEU 9 HA LEU 9 0.617 11.681 -3.657 80 HB2 LEU 9 2HB LEU 9 -1.247 10.959 -2.123 81 HB3 LEU 9 1HB LEU 9 -0.583 12.557 -1.839 82 HG LEU 9 HG LEU 9 -2.930 12.490 -3.616 83 HD11 LEU 9 1HD1 LEU 9 -2.959 11.261 -0.952 84 HD12 LEU 9 2HD1 LEU 9 -4.070 11.068 -2.308 85 HD13 LEU 9 3HD1 LEU 9 -4.217 12.463 -1.240 86 HD21 LEU 9 3HD2 LEU 9 -2.507 14.641 -3.095 87 HD22 LEU 9 1HD2 LEU 9 -1.676 14.225 -1.597 88 HD23 LEU 9 2HD2 LEU 9 -3.439 14.268 -1.645 89 H LYS 10 H LYS 10 -2.264 12.029 -5.580 90 HA LYS 10 HA LYS 10 -3.406 9.651 -5.870 91 HB2 LYS 10 2HB LYS 10 -2.566 11.607 -7.981 92 HB3 LYS 10 1HB LYS 10 -3.418 10.133 -8.421 93 HG2 LYS 10 2HG LYS 10 -5.382 10.893 -7.661 94 HG3 LYS 10 1HG LYS 10 -4.657 11.639 -6.236 95 HD2 LYS 10 2HD LYS 10 -4.038 13.576 -7.453 96 HD3 LYS 10 1HD LYS 10 -4.385 12.799 -9.000 97 HE2 LYS 10 2HE LYS 10 -6.250 14.125 -8.713 98 HE3 LYS 10 1HE LYS 10 -6.797 12.589 -8.042 99 HZ1 LYS 10 3HZ LYS 10 -5.522 14.425 -6.181 100 HZ2 LYS 10 1HZ LYS 10 -6.866 13.421 -5.963 101 HZ3 LYS 10 2HZ LYS 10 -7.037 14.898 -6.767 102 H GLN 11 H GLN 11 -0.348 10.445 -7.559 103 HA GLN 11 HA GLN 11 0.115 8.137 -8.928 104 HB2 GLN 11 2HB GLN 11 2.599 8.516 -8.291 105 HB3 GLN 11 1HB GLN 11 1.757 9.764 -9.198 106 HG2 GLN 11 2HG GLN 11 2.061 11.265 -7.594 107 HG3 GLN 11 1HG GLN 11 1.497 10.155 -6.343 108 HE21 GLN 11 1HE2 GLN 11 4.248 11.386 -8.062 109 HE22 GLN 11 2HE2 GLN 11 5.456 10.733 -7.015 110 H ALA 12 H ALA 12 0.522 8.660 -5.478 111 HA ALA 12 HA ALA 12 1.575 6.025 -4.988 112 HB1 ALA 12 1HB ALA 12 1.763 8.344 -3.631 113 HB2 ALA 12 2HB ALA 12 2.017 6.759 -2.901 114 HB3 ALA 12 3HB ALA 12 0.456 7.564 -2.736 115 H LYS 13 H LYS 13 -1.543 7.658 -4.740 116 HA LYS 13 HA LYS 13 -2.943 5.740 -3.302 117 HB2 LYS 13 2HB LYS 13 -4.445 7.379 -3.537 118 HB3 LYS 13 1HB LYS 13 -3.572 8.060 -4.901 119 HG2 LYS 13 2HG LYS 13 -5.363 5.693 -5.289 120 HG3 LYS 13 1HG LYS 13 -6.032 7.323 -5.191 121 HD2 LYS 13 2HD LYS 13 -5.127 7.963 -7.176 122 HD3 LYS 13 1HD LYS 13 -3.717 6.921 -6.989 123 HE2 LYS 13 2HE LYS 13 -4.748 5.123 -7.930 124 HE3 LYS 13 1HE LYS 13 -6.341 5.592 -7.338 125 HZ1 LYS 13 3HZ LYS 13 -6.637 7.077 -9.080 126 HZ2 LYS 13 1HZ LYS 13 -5.894 5.754 -9.828 127 HZ3 LYS 13 2HZ LYS 13 -4.990 7.136 -9.462 128 H GLU 14 H GLU 14 -2.047 5.882 -6.677 129 HA GLU 14 HA GLU 14 -3.567 3.557 -7.423 130 HB2 GLU 14 2HB GLU 14 -3.083 5.292 -9.078 131 HB3 GLU 14 1HB GLU 14 -1.356 5.036 -8.868 132 HG2 GLU 14 2HG GLU 14 -1.813 3.882 -10.809 133 HG3 GLU 14 1HG GLU 14 -1.857 2.612 -9.587 134 H GLU 15 H GLU 15 -0.334 4.292 -6.331 135 HA GLU 15 HA GLU 15 1.062 2.006 -7.043 136 HB2 GLU 15 2HB GLU 15 1.264 4.062 -4.939 137 HB3 GLU 15 1HB GLU 15 2.052 2.540 -4.554 138 HG2 GLU 15 2HG GLU 15 2.566 4.289 -6.946 139 HG3 GLU 15 1HG GLU 15 3.621 4.044 -5.551 140 H ALA 16 H ALA 16 -0.855 2.592 -4.105 141 HA ALA 16 HA ALA 16 -0.566 -0.131 -3.211 142 HB1 ALA 16 1HB ALA 16 -2.645 1.166 -1.794 143 HB2 ALA 16 2HB ALA 16 -1.361 2.347 -2.061 144 HB3 ALA 16 3HB ALA 16 -1.002 0.820 -1.255 145 H ILE 17 H ILE 17 -3.148 1.864 -4.600 146 HA ILE 17 HA ILE 17 -5.246 0.056 -4.438 147 HB ILE 17 HB ILE 17 -4.602 2.321 -6.275 148 HG12 ILE 17 2HG1 ILE 17 -6.956 1.680 -4.491 149 HG13 ILE 17 1HG1 ILE 17 -5.605 2.733 -4.082 150 HG21 ILE 17 1HG2 ILE 17 -6.870 0.391 -6.770 151 HG22 ILE 17 2HG2 ILE 17 -5.534 0.770 -7.857 152 HG23 ILE 17 3HG2 ILE 17 -6.745 1.997 -7.488 153 HD11 ILE 17 3HD1 ILE 17 -6.524 3.824 -6.417 154 HD12 ILE 17 1HD1 ILE 17 -6.910 4.385 -4.790 155 HD13 ILE 17 2HD1 ILE 17 -8.004 3.281 -5.627 156 H LYS 18 H LYS 18 -2.721 0.371 -6.908 157 HA LYS 18 HA LYS 18 -3.711 -1.643 -8.628 158 HB2 LYS 18 2HB LYS 18 -1.863 0.182 -8.999 159 HB3 LYS 18 1HB LYS 18 -0.781 -1.063 -8.389 160 HG2 LYS 18 2HG LYS 18 -0.974 -2.338 -10.246 161 HG3 LYS 18 1HG LYS 18 -2.651 -1.867 -10.530 162 HD2 LYS 18 2HD LYS 18 -1.551 -0.832 -12.283 163 HD3 LYS 18 1HD LYS 18 -1.633 0.459 -11.082 164 HE2 LYS 18 2HE LYS 18 0.588 0.576 -10.936 165 HE3 LYS 18 1HE LYS 18 0.733 -1.170 -10.734 166 HZ1 LYS 18 3HZ LYS 18 0.175 -1.015 -13.330 167 HZ2 LYS 18 1HZ LYS 18 1.752 -1.013 -12.716 168 HZ3 LYS 18 2HZ LYS 18 1.004 0.446 -13.129 169 H GLU 19 H GLU 19 -1.199 -1.703 -6.107 170 HA GLU 19 HA GLU 19 -0.565 -4.426 -6.325 171 HB2 GLU 19 2HB GLU 19 -0.413 -2.677 -3.866 172 HB3 GLU 19 1HB GLU 19 0.494 -4.159 -4.153 173 HG2 GLU 19 2HG GLU 19 0.766 -1.976 -6.138 174 HG3 GLU 19 1HG GLU 19 1.518 -1.746 -4.559 175 H LEU 20 H LEU 20 -2.952 -2.718 -4.372 176 HA LEU 20 HA LEU 20 -3.750 -4.911 -2.793 177 HB2 LEU 20 2HB LEU 20 -4.590 -2.175 -3.254 178 HB3 LEU 20 1HB LEU 20 -5.969 -3.232 -3.038 179 HG LEU 20 HG LEU 20 -4.722 -4.052 -0.926 180 HD11 LEU 20 1HD1 LEU 20 -3.549 -1.363 -0.771 181 HD12 LEU 20 2HD1 LEU 20 -2.705 -2.547 -1.775 182 HD13 LEU 20 3HD1 LEU 20 -3.010 -2.891 -0.068 183 HD21 LEU 20 3HD2 LEU 20 -5.754 -1.240 -0.833 184 HD22 LEU 20 1HD2 LEU 20 -5.894 -2.502 0.391 185 HD23 LEU 20 2HD2 LEU 20 -6.813 -2.622 -1.109 186 H VAL 21 H VAL 21 -5.075 -3.591 -5.816 187 HA VAL 21 HA VAL 21 -7.232 -5.427 -5.971 188 HB VAL 21 HB VAL 21 -5.922 -3.955 -8.261 189 HG11 VAL 21 1HG1 VAL 21 -8.812 -4.426 -8.286 190 HG12 VAL 21 2HG1 VAL 21 -7.838 -5.893 -8.366 191 HG13 VAL 21 3HG1 VAL 21 -7.617 -4.622 -9.568 192 HG21 VAL 21 3HG2 VAL 21 -6.948 -2.040 -7.673 193 HG22 VAL 21 1HG2 VAL 21 -6.948 -2.752 -6.059 194 HG23 VAL 21 2HG2 VAL 21 -8.384 -2.872 -7.076 195 H ASP 22 H ASP 22 -3.902 -5.530 -6.993 196 HA ASP 22 HA ASP 22 -4.156 -7.739 -8.763 197 HB2 ASP 22 2HB ASP 22 -2.029 -6.034 -7.762 198 HB3 ASP 22 1HB ASP 22 -1.514 -7.714 -7.877 199 H ALA 23 H ALA 23 -3.840 -7.490 -5.307 200 HA ALA 23 HA ALA 23 -3.828 -10.427 -5.174 201 HB1 ALA 23 1HB ALA 23 -1.490 -9.483 -4.865 202 HB2 ALA 23 2HB ALA 23 -2.081 -10.565 -3.604 203 HB3 ALA 23 3HB ALA 23 -2.072 -8.821 -3.335 204 H GLY 24 H GLY 24 -4.880 -11.341 -3.416 205 HA2 GLY 24 2HA GLY 24 -7.065 -10.068 -2.323 206 HA3 GLY 24 1HA GLY 24 -6.268 -11.458 -1.583 207 H THR 25 H THR 25 -7.125 -8.272 -1.154 208 HA THR 25 HA THR 25 -5.284 -8.004 1.122 209 HB THR 25 HB THR 25 -4.482 -6.703 -0.801 210 HG1 THR 25 1HG THR 25 -3.976 -5.073 0.470 211 HG21 THR 25 3HG2 THR 25 -6.576 -4.686 -0.626 212 HG22 THR 25 1HG2 THR 25 -7.099 -6.206 -1.349 213 HG23 THR 25 2HG2 THR 25 -5.731 -5.331 -2.031 214 H ALA 26 H ALA 26 -6.130 -5.448 1.858 215 HA ALA 26 HA ALA 26 -8.978 -5.787 2.518 216 HB1 ALA 26 1HB ALA 26 -8.627 -5.564 4.725 217 HB2 ALA 26 2HB ALA 26 -7.357 -4.360 4.508 218 HB3 ALA 26 3HB ALA 26 -6.986 -6.081 4.352 219 H GLU 27 H GLU 27 -9.866 -4.293 1.235 220 HA GLU 27 HA GLU 27 -9.003 -2.094 0.028 221 HB2 GLU 27 2HB GLU 27 -11.317 -1.067 0.473 222 HB3 GLU 27 1HB GLU 27 -11.245 -2.628 -0.334 223 HG2 GLU 27 2HG GLU 27 -11.582 -3.656 1.963 224 HG3 GLU 27 1HG GLU 27 -11.995 -2.032 2.508 225 H LYS 28 H LYS 28 -9.665 -2.222 3.473 226 HA LYS 28 HA LYS 28 -9.740 0.431 4.157 227 HB2 LYS 28 2HB LYS 28 -8.122 -1.534 5.760 228 HB3 LYS 28 1HB LYS 28 -9.064 -0.170 6.341 229 HG2 LYS 28 2HG LYS 28 -10.102 -2.774 5.255 230 HG3 LYS 28 1HG LYS 28 -10.240 -2.153 6.900 231 HD2 LYS 28 2HD LYS 28 -11.356 -0.155 5.337 232 HD3 LYS 28 1HD LYS 28 -11.909 -1.651 4.579 233 HE2 LYS 28 2HE LYS 28 -13.516 -0.998 6.232 234 HE3 LYS 28 1HE LYS 28 -12.674 -2.438 6.808 235 HZ1 LYS 28 3HZ LYS 28 -12.311 0.362 7.704 236 HZ2 LYS 28 1HZ LYS 28 -11.196 -0.855 8.066 237 HZ3 LYS 28 2HZ LYS 28 -12.791 -0.970 8.620 238 H TYR 29 H TYR 29 -7.025 -1.324 2.913 239 HA TYR 29 HA TYR 29 -5.012 0.455 3.880 240 HB2 TYR 29 2HB TYR 29 -4.715 -1.351 1.483 241 HB3 TYR 29 1HB TYR 29 -3.463 -0.778 2.583 242 HD1 TYR 29 2HD TYR 29 -5.333 -1.353 5.088 243 HD2 TYR 29 1HD TYR 29 -3.975 -3.652 1.780 244 HE1 TYR 29 2HE TYR 29 -5.559 -3.406 6.426 245 HE2 TYR 29 1HE TYR 29 -4.199 -5.706 3.103 246 HH TYR 29 HH TYR 29 -4.181 -6.304 5.588 247 H PHE 30 H PHE 30 -6.380 0.007 0.581 248 HA PHE 30 HA PHE 30 -4.957 2.164 -0.508 249 HB2 PHE 30 2HB PHE 30 -6.429 2.046 -2.425 250 HB3 PHE 30 1HB PHE 30 -5.965 0.430 -1.913 251 HD1 PHE 30 1HD PHE 30 -8.717 2.849 -1.089 252 HD2 PHE 30 2HD PHE 30 -7.598 -1.122 -2.137 253 HE1 PHE 30 1HE PHE 30 -11.081 2.180 -1.056 254 HE2 PHE 30 2HE PHE 30 -9.965 -1.798 -2.103 255 HZ PHE 30 HZ PHE 30 -11.709 -0.146 -1.563 256 H LYS 31 H LYS 31 -7.802 2.099 1.430 257 HA LYS 31 HA LYS 31 -8.658 4.755 0.670 258 HB2 LYS 31 2HB LYS 31 -9.790 2.552 2.083 259 HB3 LYS 31 1HB LYS 31 -9.814 3.950 3.152 260 HG2 LYS 31 2HG LYS 31 -11.119 5.206 1.642 261 HG3 LYS 31 1HG LYS 31 -10.848 4.053 0.335 262 HD2 LYS 31 2HD LYS 31 -12.057 2.346 1.738 263 HD3 LYS 31 1HD LYS 31 -12.497 3.665 2.825 264 HE2 LYS 31 2HE LYS 31 -14.045 4.479 1.412 265 HE3 LYS 31 1HE LYS 31 -13.045 4.183 -0.010 266 HZ1 LYS 31 3HZ LYS 31 -13.633 1.773 0.281 267 HZ2 LYS 31 1HZ LYS 31 -14.909 2.779 -0.191 268 HZ3 LYS 31 2HZ LYS 31 -14.791 2.259 1.414 269 H LEU 32 H LEU 32 -6.603 3.283 3.025 270 HA LEU 32 HA LEU 32 -6.518 5.575 4.771 271 HB2 LEU 32 2HB LEU 32 -5.726 2.836 4.863 272 HB3 LEU 32 1HB LEU 32 -4.313 3.829 5.211 273 HG LEU 32 HG LEU 32 -6.794 4.541 6.663 274 HD11 LEU 32 1HD1 LEU 32 -5.432 1.905 6.922 275 HD12 LEU 32 2HD1 LEU 32 -7.142 2.312 7.070 276 HD13 LEU 32 3HD1 LEU 32 -6.021 2.718 8.368 277 HD21 LEU 32 3HD2 LEU 32 -4.216 4.077 8.014 278 HD22 LEU 32 1HD2 LEU 32 -5.352 5.417 8.159 279 HD23 LEU 32 2HD2 LEU 32 -4.234 5.354 6.797 280 H ILE 33 H ILE 33 -4.621 4.241 2.142 281 HA ILE 33 HA ILE 33 -2.396 6.004 2.546 282 HB ILE 33 HB ILE 33 -1.711 5.212 0.238 283 HG12 ILE 33 2HG1 ILE 33 -3.353 2.855 0.269 284 HG13 ILE 33 1HG1 ILE 33 -4.383 4.277 0.205 285 HG21 ILE 33 1HG2 ILE 33 -1.263 4.170 2.631 286 HG22 ILE 33 2HG2 ILE 33 -0.686 3.396 1.155 287 HG23 ILE 33 3HG2 ILE 33 -2.158 2.820 1.935 288 HD11 ILE 33 3HD1 ILE 33 -2.083 4.231 -1.637 289 HD12 ILE 33 1HD1 ILE 33 -3.723 4.822 -1.882 290 HD13 ILE 33 2HD1 ILE 33 -3.390 3.094 -1.961 291 H ALA 34 H ALA 34 -5.127 5.897 0.271 292 HA ALA 34 HA ALA 34 -4.402 8.120 -1.268 293 HB1 ALA 34 1HB ALA 34 -7.284 7.598 -0.793 294 HB2 ALA 34 2HB ALA 34 -6.326 6.299 -1.504 295 HB3 ALA 34 3HB ALA 34 -6.414 7.870 -2.303 296 H ASN 35 H ASN 35 -5.768 7.866 1.898 297 HA ASN 35 HA ASN 35 -6.754 10.573 1.974 298 HB2 ASN 35 2HB ASN 35 -7.896 8.884 3.288 299 HB3 ASN 35 1HB ASN 35 -6.404 8.492 4.146 300 HD21 ASN 35 1HD2 ASN 35 -7.579 8.916 6.084 301 HD22 ASN 35 2HD2 ASN 35 -7.811 10.538 6.626 302 H ALA 36 H ALA 36 -3.794 8.917 2.710 303 HA ALA 36 HA ALA 36 -2.667 10.769 4.512 304 HB1 ALA 36 1HB ALA 36 -1.291 8.927 2.561 305 HB2 ALA 36 2HB ALA 36 -1.746 8.541 4.221 306 HB3 ALA 36 3HB ALA 36 -0.514 9.762 3.905 307 H LYS 37 H LYS 37 -1.988 12.779 4.203 308 HA LYS 37 HA LYS 37 -2.115 14.064 1.693 309 HB2 LYS 37 2HB LYS 37 -2.182 14.986 4.174 310 HB3 LYS 37 1HB LYS 37 -0.456 15.211 3.885 311 HG2 LYS 37 2HG LYS 37 -0.790 16.963 2.540 312 HG3 LYS 37 1HG LYS 37 -2.152 16.198 1.722 313 HD2 LYS 37 2HD LYS 37 -3.522 16.704 3.774 314 HD3 LYS 37 1HD LYS 37 -2.170 17.699 4.330 315 HE2 LYS 37 2HE LYS 37 -2.577 19.330 2.818 316 HE3 LYS 37 1HE LYS 37 -3.094 18.194 1.572 317 HZ1 LYS 37 3HZ LYS 37 -4.792 19.794 2.725 318 HZ2 LYS 37 1HZ LYS 37 -4.819 18.588 3.913 319 HZ3 LYS 37 2HZ LYS 37 -5.237 18.215 2.317 320 H THR 38 H THR 38 0.452 12.449 3.404 321 HA THR 38 HA THR 38 2.437 13.399 1.473 322 HB THR 38 HB THR 38 4.028 12.098 2.989 323 HG1 THR 38 1HG THR 38 3.236 11.113 4.657 324 HG21 THR 38 3HG2 THR 38 4.355 13.856 4.412 325 HG22 THR 38 1HG2 THR 38 2.629 14.151 4.610 326 HG23 THR 38 2HG2 THR 38 3.436 14.624 3.116 327 H VAL 39 H VAL 39 3.462 12.078 0.036 328 HA VAL 39 HA VAL 39 2.110 9.708 -0.768 329 HB VAL 39 HB VAL 39 3.953 9.476 -2.425 330 HG11 VAL 39 1HG1 VAL 39 2.234 11.849 -2.113 331 HG12 VAL 39 2HG1 VAL 39 2.346 10.693 -3.438 332 HG13 VAL 39 3HG1 VAL 39 3.530 11.992 -3.300 333 HG21 VAL 39 3HG2 VAL 39 5.682 11.133 -2.585 334 HG22 VAL 39 1HG2 VAL 39 5.721 10.443 -0.963 335 HG23 VAL 39 2HG2 VAL 39 5.008 12.034 -1.228 336 H GLU 40 H GLU 40 5.048 10.361 1.051 337 HA GLU 40 HA GLU 40 6.267 7.874 0.993 338 HB2 GLU 40 2HB GLU 40 6.113 9.726 3.376 339 HB3 GLU 40 1HB GLU 40 7.330 8.488 3.094 340 HG2 GLU 40 2HG GLU 40 6.899 10.986 1.472 341 HG3 GLU 40 1HG GLU 40 8.228 10.663 2.585 342 H GLY 41 H GLY 41 3.373 8.863 2.612 343 HA2 GLY 41 2HA GLY 41 3.287 6.661 4.464 344 HA3 GLY 41 1HA GLY 41 1.978 7.786 4.109 345 H VAL 42 H VAL 42 2.007 7.391 1.299 346 HA VAL 42 HA VAL 42 0.312 5.102 1.155 347 HB VAL 42 HB VAL 42 1.351 6.925 -1.008 348 HG11 VAL 42 1HG1 VAL 42 0.683 5.259 -2.358 349 HG12 VAL 42 2HG1 VAL 42 -0.937 5.855 -1.992 350 HG13 VAL 42 3HG1 VAL 42 -0.275 4.487 -1.097 351 HG21 VAL 42 3HG2 VAL 42 -1.339 7.370 -0.749 352 HG22 VAL 42 1HG2 VAL 42 -0.064 8.365 -0.044 353 HG23 VAL 42 2HG2 VAL 42 -0.834 7.106 0.920 354 H TRP 43 H TRP 43 3.453 5.962 -0.271 355 HA TRP 43 HA TRP 43 3.807 3.547 -1.662 356 HB2 TRP 43 2HB TRP 43 5.738 5.646 -0.669 357 HB3 TRP 43 1HB TRP 43 6.315 4.219 -1.525 358 HD1 TRP 43 HD TRP 43 4.283 7.435 -2.096 359 HE1 TRP 43 1HE TRP 43 4.141 7.878 -4.619 360 HE3 TRP 43 3HE TRP 43 6.337 3.073 -3.809 361 HZ2 TRP 43 2HZ TRP 43 4.795 6.562 -7.021 362 HZ3 TRP 43 3HZ TRP 43 6.524 2.743 -6.241 363 HH2 TRP 43 HH TRP 43 5.771 4.453 -7.810 364 H THR 44 H THR 44 4.369 4.434 1.667 365 HA THR 44 HA THR 44 5.999 2.208 2.357 366 HB THR 44 HB THR 44 5.075 2.747 4.721 367 HG1 THR 44 1HG THR 44 4.274 5.148 3.481 368 HG21 THR 44 3HG2 THR 44 6.244 5.177 4.444 369 HG22 THR 44 1HG2 THR 44 6.902 4.307 3.058 370 HG23 THR 44 2HG2 THR 44 7.109 3.659 4.685 371 H LEU 45 H LEU 45 2.524 2.882 2.747 372 HA LEU 45 HA LEU 45 1.807 0.381 3.791 373 HB2 LEU 45 2HB LEU 45 0.475 2.740 2.940 374 HB3 LEU 45 1HB LEU 45 -0.296 1.390 2.128 375 HD11 LEU 45 1HD1 LEU 45 -1.019 2.553 5.955 376 HD12 LEU 45 2HD1 LEU 45 0.239 3.253 4.935 377 HD13 LEU 45 3HD1 LEU 45 0.616 1.893 5.992 378 HD21 LEU 45 3HD2 LEU 45 -2.536 0.917 4.754 379 HD22 LEU 45 1HD2 LEU 45 -2.202 0.921 3.022 380 HD23 LEU 45 2HD2 LEU 45 -2.323 2.445 3.901 381 H LYS 46 H LYS 46 2.400 1.493 0.537 382 HA LYS 46 HA LYS 46 1.247 -0.637 -0.893 383 HB2 LYS 46 2HB LYS 46 2.009 1.465 -1.946 384 HB3 LYS 46 1HB LYS 46 3.675 1.024 -1.605 385 HG2 LYS 46 2HG LYS 46 2.697 -1.165 -2.969 386 HG3 LYS 46 1HG LYS 46 1.941 0.208 -3.780 387 HD2 LYS 46 2HD LYS 46 4.047 -0.305 -4.850 388 HD3 LYS 46 1HD LYS 46 4.170 1.248 -4.021 389 HE2 LYS 46 2HE LYS 46 5.690 0.485 -2.539 390 HE3 LYS 46 1HE LYS 46 4.937 -1.105 -2.427 391 HZ1 LYS 46 3HZ LYS 46 5.888 -1.239 -4.882 392 HZ2 LYS 46 1HZ LYS 46 6.806 -1.681 -3.530 393 HZ3 LYS 46 2HZ LYS 46 7.017 -0.159 -4.236 394 H ASP 47 H ASP 47 4.316 -0.233 0.740 395 HA ASP 47 HA ASP 47 5.560 -2.578 -0.267 396 HB2 ASP 47 2HB ASP 47 6.687 -0.601 0.906 397 HB3 ASP 47 1HB ASP 47 6.123 -1.311 2.415 398 H GLU 48 H GLU 48 3.311 -1.891 2.300 399 HA GLU 48 HA GLU 48 3.605 -4.302 3.753 400 HB2 GLU 48 2HB GLU 48 2.150 -1.962 4.052 401 HB3 GLU 48 1HB GLU 48 0.908 -3.177 3.782 402 HG2 GLU 48 2HG GLU 48 2.843 -4.170 5.644 403 HG3 GLU 48 1HG GLU 48 2.262 -2.589 6.165 404 H ILE 49 H ILE 49 1.188 -3.300 1.322 405 HA ILE 49 HA ILE 49 -0.207 -5.706 1.173 406 HB ILE 49 HB ILE 49 -1.138 -3.757 0.148 407 HG12 ILE 49 2HG1 ILE 49 -1.847 -4.617 -1.977 408 HG13 ILE 49 1HG1 ILE 49 -0.390 -5.593 -2.133 409 HG21 ILE 49 1HG2 ILE 49 1.295 -3.769 -1.621 410 HG22 ILE 49 2HG2 ILE 49 0.824 -2.540 -0.447 411 HG23 ILE 49 3HG2 ILE 49 -0.132 -2.776 -1.910 412 HD11 ILE 49 3HD1 ILE 49 -2.114 -7.077 -1.561 413 HD12 ILE 49 1HD1 ILE 49 -2.714 -6.012 -0.294 414 HD13 ILE 49 2HD1 ILE 49 -1.177 -6.845 -0.085 415 H LYS 50 H LYS 50 2.865 -4.776 -0.171 416 HA LYS 50 HA LYS 50 3.023 -6.838 -2.131 417 HB2 LYS 50 2HB LYS 50 4.884 -4.831 -0.975 418 HB3 LYS 50 1HB LYS 50 5.598 -6.229 -1.767 419 HG2 LYS 50 2HG LYS 50 4.151 -5.686 -3.760 420 HG3 LYS 50 1HG LYS 50 3.773 -4.161 -2.956 421 HD2 LYS 50 2HD LYS 50 5.580 -3.399 -4.061 422 HD3 LYS 50 1HD LYS 50 6.481 -4.193 -2.767 423 HE2 LYS 50 2HE LYS 50 5.695 -5.860 -5.086 424 HE3 LYS 50 1HE LYS 50 6.948 -4.650 -5.359 425 HZ1 LYS 50 3HZ LYS 50 7.868 -5.714 -3.140 426 HZ2 LYS 50 1HZ LYS 50 8.231 -6.364 -4.659 427 HZ3 LYS 50 2HZ LYS 50 7.015 -7.059 -3.710 428 H THR 51 H THR 51 4.016 -6.579 1.245 429 HA THR 51 HA THR 51 5.189 -9.260 1.111 430 HB THR 51 HB THR 51 5.222 -7.745 3.656 431 HG1 THR 51 1HG THR 51 6.644 -6.256 2.969 432 HG21 THR 51 3HG2 THR 51 7.630 -8.816 2.286 433 HG22 THR 51 1HG2 THR 51 6.481 -9.936 2.995 434 HG23 THR 51 2HG2 THR 51 7.252 -8.717 4.005 435 H PHE 52 H PHE 52 2.821 -7.424 3.018 436 HA PHE 52 HA PHE 52 1.037 -8.068 4.259 437 HB2 PHE 52 2HB PHE 52 1.023 -9.682 1.918 438 HB3 PHE 52 1HB PHE 52 0.540 -10.697 3.269 439 HD1 PHE 52 2HD PHE 52 -0.170 -7.407 1.719 440 HD2 PHE 52 1HD PHE 52 -1.661 -10.670 3.998 441 HE1 PHE 52 2HE PHE 52 -2.431 -6.427 1.619 442 HE2 PHE 52 1HE PHE 52 -3.923 -9.707 3.905 443 HZ PHE 52 HZ PHE 52 -4.310 -7.584 2.715 444 H THR 53 H THR 53 3.853 -9.002 4.913 445 HA THR 53 HA THR 53 4.885 -10.112 6.588 446 HB THR 53 HB THR 53 2.431 -9.385 7.623 447 HG1 THR 53 1HG THR 53 4.411 -9.143 8.670 448 HG21 THR 53 3HG2 THR 53 2.821 -12.168 8.638 449 HG22 THR 53 1HG2 THR 53 1.746 -11.844 7.278 450 HG23 THR 53 2HG2 THR 53 1.448 -11.079 8.836 451 H VAL 54 H VAL 54 5.713 -12.133 6.911 452 HA VAL 54 HA VAL 54 4.223 -14.386 5.731 453 HB VAL 54 HB VAL 54 7.216 -14.040 5.525 454 HG11 VAL 54 1HG1 VAL 54 6.472 -16.342 5.447 455 HG12 VAL 54 2HG1 VAL 54 7.021 -15.837 3.857 456 HG13 VAL 54 3HG1 VAL 54 5.290 -15.949 4.198 457 HG21 VAL 54 3HG2 VAL 54 5.021 -13.090 3.771 458 HG22 VAL 54 1HG2 VAL 54 6.449 -13.775 2.995 459 HG23 VAL 54 2HG2 VAL 54 6.606 -12.387 4.071 460 H THR 55 H THR 55 6.836 -13.413 7.926 461 HA THR 55 HA THR 55 6.004 -15.425 9.829 462 HB THR 55 HB THR 55 8.856 -15.430 8.824 463 HG1 THR 55 1HG THR 55 6.740 -17.231 8.269 464 HG21 THR 55 3HG2 THR 55 7.615 -17.676 10.320 465 HG22 THR 55 1HG2 THR 55 8.162 -16.260 11.217 466 HG23 THR 55 2HG2 THR 55 9.303 -17.170 10.225 467 H GLU 56 H GLU 56 6.409 -14.837 11.905 468 HA GLU 56 HA GLU 56 8.385 -12.781 12.482 469 HB2 GLU 56 2HB GLU 56 6.775 -11.321 13.620 470 HB3 GLU 56 1HB GLU 56 6.398 -11.475 11.915 471 HG2 GLU 56 2HG GLU 56 4.312 -11.805 12.662 472 HG3 GLU 56 1HG GLU 56 4.881 -13.455 12.913 Start of MODEL 14 1 H1 THR 1 1HT THR 1 14.701 24.640 -15.982 2 H2 THR 1 2HT THR 1 15.039 26.000 -14.990 3 H3 THR 1 3HT THR 1 14.448 26.224 -16.585 4 HA THR 1 HA THR 1 12.947 24.775 -14.523 5 HB THR 1 HB THR 1 11.692 27.101 -14.541 6 HG1 THR 1 1HG THR 1 12.910 28.244 -15.939 7 HG21 THR 1 3HG2 THR 1 14.110 26.348 -12.970 8 HG22 THR 1 1HG2 THR 1 12.423 26.452 -12.459 9 HG23 THR 1 2HG2 THR 1 13.348 27.926 -12.740 10 H THR 2 H THR 2 11.841 23.449 -15.870 11 HA THR 2 HA THR 2 10.244 24.738 -17.977 12 HB THR 2 HB THR 2 11.438 21.974 -18.205 13 HG1 THR 2 1HG THR 2 12.360 24.465 -19.165 14 HG21 THR 2 3HG2 THR 2 9.898 23.718 -20.081 15 HG22 THR 2 1HG2 THR 2 9.634 22.026 -19.660 16 HG23 THR 2 2HG2 THR 2 11.004 22.480 -20.676 17 H TYR 3 H TYR 3 8.315 24.775 -16.936 18 HA TYR 3 HA TYR 3 6.347 24.027 -16.080 19 HB2 TYR 3 2HB TYR 3 7.137 22.120 -17.989 20 HB3 TYR 3 1HB TYR 3 6.596 21.195 -16.592 21 HD1 TYR 3 2HD TYR 3 4.274 21.396 -15.796 22 HD2 TYR 3 1HD TYR 3 5.592 23.398 -19.310 23 HE1 TYR 3 2HE TYR 3 1.935 21.751 -16.463 24 HE2 TYR 3 1HE TYR 3 3.256 23.760 -19.987 25 HH TYR 3 HH TYR 3 0.950 23.918 -18.632 26 H LYS 4 H LYS 4 5.413 22.874 -14.293 27 HA LYS 4 HA LYS 4 7.452 21.966 -12.378 28 HB2 LYS 4 2HB LYS 4 5.667 22.485 -10.660 29 HB3 LYS 4 1HB LYS 4 6.330 23.870 -11.515 30 HG2 LYS 4 2HG LYS 4 3.911 22.646 -12.681 31 HG3 LYS 4 1HG LYS 4 3.712 23.484 -11.142 32 HD2 LYS 4 2HD LYS 4 5.091 24.711 -13.521 33 HD3 LYS 4 1HD LYS 4 3.364 24.891 -13.207 34 HE2 LYS 4 2HE LYS 4 4.409 25.562 -10.799 35 HE3 LYS 4 1HE LYS 4 5.673 26.137 -11.886 36 HZ1 LYS 4 3HZ LYS 4 3.501 27.060 -13.115 37 HZ2 LYS 4 1HZ LYS 4 4.364 27.944 -11.965 38 HZ3 LYS 4 2HZ LYS 4 2.964 27.112 -11.512 39 H LEU 5 H LEU 5 7.408 19.946 -11.604 40 HA LEU 5 HA LEU 5 5.849 17.945 -12.777 41 HB2 LEU 5 2HB LEU 5 7.368 17.964 -10.171 42 HB3 LEU 5 1HB LEU 5 6.663 16.524 -10.876 43 HG LEU 5 HG LEU 5 9.240 17.559 -11.296 44 HD11 LEU 5 1HD1 LEU 5 9.406 15.619 -12.861 45 HD12 LEU 5 2HD1 LEU 5 7.672 15.376 -12.644 46 HD13 LEU 5 3HD1 LEU 5 8.762 15.231 -11.265 47 HD21 LEU 5 3HD2 LEU 5 7.512 17.862 -13.746 48 HD22 LEU 5 1HD2 LEU 5 9.269 17.727 -13.792 49 HD23 LEU 5 2HD2 LEU 5 8.512 19.091 -12.972 50 H ILE 6 H ILE 6 3.665 18.535 -12.656 51 HA ILE 6 HA ILE 6 2.347 19.097 -10.205 52 HB ILE 6 HB ILE 6 1.477 19.863 -12.369 53 HG12 ILE 6 2HG1 ILE 6 -0.885 19.321 -11.975 54 HG13 ILE 6 1HG1 ILE 6 -0.408 17.987 -10.930 55 HG21 ILE 6 1HG2 ILE 6 1.725 17.074 -13.036 56 HG22 ILE 6 2HG2 ILE 6 1.471 18.464 -14.092 57 HG23 ILE 6 3HG2 ILE 6 0.089 17.652 -13.358 58 HD11 ILE 6 3HD1 ILE 6 -0.894 20.648 -10.215 59 HD12 ILE 6 1HD1 ILE 6 0.843 20.396 -10.038 60 HD13 ILE 6 2HD1 ILE 6 -0.292 19.343 -9.193 61 H LEU 7 H LEU 7 3.415 17.157 -9.135 62 HA LEU 7 HA LEU 7 1.825 14.717 -9.550 63 HB2 LEU 7 2HB LEU 7 4.501 15.118 -8.214 64 HB3 LEU 7 1HB LEU 7 3.632 13.595 -8.236 65 HG LEU 7 HG LEU 7 4.231 14.907 -10.845 66 HD11 LEU 7 1HD1 LEU 7 6.282 14.713 -9.122 67 HD12 LEU 7 2HD1 LEU 7 6.446 14.491 -10.863 68 HD13 LEU 7 3HD1 LEU 7 6.304 13.087 -9.805 69 HD21 LEU 7 3HD2 LEU 7 4.719 12.319 -11.193 70 HD22 LEU 7 1HD2 LEU 7 3.087 12.985 -11.254 71 HD23 LEU 7 2HD2 LEU 7 3.664 12.196 -9.786 72 H ASN 8 H ASN 8 1.231 13.496 -7.588 73 HA ASN 8 HA ASN 8 1.192 14.892 -5.072 74 HB2 ASN 8 2HB ASN 8 -0.824 15.598 -6.758 75 HB3 ASN 8 1HB ASN 8 -1.562 14.238 -5.905 76 HD21 ASN 8 1HD2 ASN 8 -0.030 17.370 -5.501 77 HD22 ASN 8 2HD2 ASN 8 -0.738 17.726 -3.966 78 H LEU 9 H LEU 9 -0.898 13.551 -3.850 79 HA LEU 9 HA LEU 9 0.271 11.092 -3.199 80 HB2 LEU 9 2HB LEU 9 -2.641 11.700 -2.773 81 HB3 LEU 9 1HB LEU 9 -1.581 10.716 -1.785 82 HG LEU 9 HG LEU 9 -1.153 13.676 -2.066 83 HD11 LEU 9 1HD1 LEU 9 -3.499 12.981 -1.263 84 HD12 LEU 9 2HD1 LEU 9 -2.578 14.132 -0.295 85 HD13 LEU 9 3HD1 LEU 9 -2.668 12.439 0.195 86 HD21 LEU 9 3HD2 LEU 9 0.566 11.995 -1.112 87 HD22 LEU 9 1HD2 LEU 9 -0.513 11.935 0.282 88 HD23 LEU 9 2HD2 LEU 9 0.216 13.467 -0.206 89 H LYS 10 H LYS 10 -2.142 11.950 -5.566 90 HA LYS 10 HA LYS 10 -3.497 9.709 -6.150 91 HB2 LYS 10 2HB LYS 10 -2.133 11.437 -8.218 92 HB3 LYS 10 1HB LYS 10 -3.514 10.387 -8.501 93 HG2 LYS 10 2HG LYS 10 -4.899 12.011 -7.928 94 HG3 LYS 10 1HG LYS 10 -4.136 12.133 -6.342 95 HD2 LYS 10 2HD LYS 10 -3.572 14.205 -6.991 96 HD3 LYS 10 1HD LYS 10 -2.321 13.402 -7.943 97 HE2 LYS 10 2HE LYS 10 -5.073 14.180 -8.901 98 HE3 LYS 10 1HE LYS 10 -3.560 14.987 -9.312 99 HZ1 LYS 10 3HZ LYS 10 -4.163 12.153 -9.957 100 HZ2 LYS 10 1HZ LYS 10 -2.822 13.049 -10.470 101 HZ3 LYS 10 2HZ LYS 10 -4.368 13.437 -11.038 102 H GLN 11 H GLN 11 -0.201 10.328 -7.398 103 HA GLN 11 HA GLN 11 0.120 7.961 -8.806 104 HB2 GLN 11 2HB GLN 11 2.604 8.273 -8.278 105 HB3 GLN 11 1HB GLN 11 1.786 9.585 -9.116 106 HG2 GLN 11 2HG GLN 11 2.084 11.023 -7.427 107 HG3 GLN 11 1HG GLN 11 1.769 9.801 -6.193 108 HE21 GLN 11 1HE2 GLN 11 4.099 11.684 -7.688 109 HE22 GLN 11 2HE2 GLN 11 5.506 10.902 -7.064 110 H ALA 12 H ALA 12 0.452 8.578 -5.365 111 HA ALA 12 HA ALA 12 1.466 5.925 -4.820 112 HB1 ALA 12 1HB ALA 12 1.917 6.660 -2.718 113 HB2 ALA 12 2HB ALA 12 0.471 7.666 -2.636 114 HB3 ALA 12 3HB ALA 12 1.877 8.213 -3.552 115 H LYS 13 H LYS 13 -1.597 7.648 -4.636 116 HA LYS 13 HA LYS 13 -2.995 5.784 -3.070 117 HB2 LYS 13 2HB LYS 13 -4.473 7.455 -3.229 118 HB3 LYS 13 1HB LYS 13 -3.587 8.168 -4.568 119 HG2 LYS 13 2HG LYS 13 -5.417 5.880 -5.122 120 HG3 LYS 13 1HG LYS 13 -6.103 7.473 -4.803 121 HD2 LYS 13 2HD LYS 13 -4.868 8.440 -6.611 122 HD3 LYS 13 1HD LYS 13 -3.962 6.949 -6.854 123 HE2 LYS 13 2HE LYS 13 -6.949 7.185 -7.174 124 HE3 LYS 13 1HE LYS 13 -5.802 7.333 -8.504 125 HZ1 LYS 13 3HZ LYS 13 -6.941 5.035 -7.729 126 HZ2 LYS 13 1HZ LYS 13 -5.474 4.960 -6.889 127 HZ3 LYS 13 2HZ LYS 13 -5.479 5.134 -8.571 128 H GLU 14 H GLU 14 -2.268 5.972 -6.493 129 HA GLU 14 HA GLU 14 -3.895 3.717 -7.217 130 HB2 GLU 14 2HB GLU 14 -3.545 5.297 -8.950 131 HB3 GLU 14 1HB GLU 14 -1.816 5.369 -8.650 132 HG2 GLU 14 2HG GLU 14 -1.718 2.964 -9.448 133 HG3 GLU 14 1HG GLU 14 -3.376 3.186 -10.005 134 H GLU 15 H GLU 15 -0.578 4.328 -6.304 135 HA GLU 15 HA GLU 15 0.719 2.022 -7.085 136 HB2 GLU 15 2HB GLU 15 1.043 4.019 -4.950 137 HB3 GLU 15 1HB GLU 15 1.772 2.460 -4.593 138 HG2 GLU 15 2HG GLU 15 2.309 4.164 -7.015 139 HG3 GLU 15 1HG GLU 15 3.365 3.962 -5.613 140 H ALA 16 H ALA 16 -1.137 2.585 -4.113 141 HA ALA 16 HA ALA 16 -0.868 -0.088 -3.161 142 HB1 ALA 16 1HB ALA 16 -2.855 2.035 -2.359 143 HB2 ALA 16 2HB ALA 16 -1.250 1.816 -1.660 144 HB3 ALA 16 3HB ALA 16 -2.478 0.566 -1.459 145 H ILE 17 H ILE 17 -3.504 1.714 -4.735 146 HA ILE 17 HA ILE 17 -5.443 -0.272 -4.710 147 HB ILE 17 HB ILE 17 -4.934 2.125 -6.388 148 HG12 ILE 17 2HG1 ILE 17 -7.629 1.401 -5.410 149 HG13 ILE 17 1HG1 ILE 17 -6.401 1.630 -4.170 150 HG21 ILE 17 1HG2 ILE 17 -5.498 0.593 -8.152 151 HG22 ILE 17 2HG2 ILE 17 -6.890 1.628 -7.838 152 HG23 ILE 17 3HG2 ILE 17 -6.872 -0.029 -7.235 153 HD11 ILE 17 3HD1 ILE 17 -6.871 3.666 -6.314 154 HD12 ILE 17 1HD1 ILE 17 -6.068 3.864 -4.756 155 HD13 ILE 17 2HD1 ILE 17 -7.815 3.638 -4.825 156 H LYS 18 H LYS 18 -2.841 0.289 -7.056 157 HA LYS 18 HA LYS 18 -3.618 -1.707 -8.889 158 HB2 LYS 18 2HB LYS 18 -1.678 0.224 -8.825 159 HB3 LYS 18 1HB LYS 18 -0.724 -1.243 -8.644 160 HG2 LYS 18 2HG LYS 18 -2.509 -1.823 -10.692 161 HG3 LYS 18 1HG LYS 18 -2.015 -0.154 -10.985 162 HD2 LYS 18 2HD LYS 18 0.361 -1.357 -10.357 163 HD3 LYS 18 1HD LYS 18 -0.488 -2.641 -11.220 164 HE2 LYS 18 2HE LYS 18 -0.607 -1.426 -13.181 165 HE3 LYS 18 1HE LYS 18 -0.449 0.121 -12.352 166 HZ1 LYS 18 3HZ LYS 18 1.642 -0.009 -13.121 167 HZ2 LYS 18 1HZ LYS 18 1.607 -1.691 -13.297 168 HZ3 LYS 18 2HZ LYS 18 1.897 -1.006 -11.779 169 H GLU 19 H GLU 19 -1.286 -1.771 -6.208 170 HA GLU 19 HA GLU 19 -0.575 -4.496 -6.550 171 HB2 GLU 19 2HB GLU 19 -0.357 -2.822 -4.046 172 HB3 GLU 19 1HB GLU 19 0.579 -4.260 -4.443 173 HG2 GLU 19 2HG GLU 19 0.680 -1.903 -6.263 174 HG3 GLU 19 1HG GLU 19 1.588 -1.871 -4.751 175 H LEU 20 H LEU 20 -3.026 -2.833 -4.679 176 HA LEU 20 HA LEU 20 -3.738 -4.994 -3.004 177 HB2 LEU 20 2HB LEU 20 -4.749 -2.327 -3.629 178 HB3 LEU 20 1HB LEU 20 -6.030 -3.468 -3.278 179 HG LEU 20 HG LEU 20 -4.761 -4.022 -1.147 180 HD11 LEU 20 1HD1 LEU 20 -3.025 -2.791 -0.409 181 HD12 LEU 20 2HD1 LEU 20 -3.472 -1.375 -1.361 182 HD13 LEU 20 3HD1 LEU 20 -2.697 -2.756 -2.143 183 HD21 LEU 20 3HD2 LEU 20 -5.633 -1.166 -1.197 184 HD22 LEU 20 1HD2 LEU 20 -5.892 -2.390 0.046 185 HD23 LEU 20 2HD2 LEU 20 -6.793 -2.467 -1.468 186 H VAL 21 H VAL 21 -5.072 -3.852 -6.092 187 HA VAL 21 HA VAL 21 -7.147 -5.784 -6.206 188 HB VAL 21 HB VAL 21 -5.875 -4.356 -8.543 189 HG11 VAL 21 1HG1 VAL 21 -7.271 -5.820 -9.572 190 HG12 VAL 21 2HG1 VAL 21 -8.455 -4.571 -9.188 191 HG13 VAL 21 3HG1 VAL 21 -8.311 -5.995 -8.159 192 HG21 VAL 21 3HG2 VAL 21 -6.947 -2.446 -8.029 193 HG22 VAL 21 1HG2 VAL 21 -6.939 -3.092 -6.390 194 HG23 VAL 21 2HG2 VAL 21 -8.365 -3.289 -7.407 195 H ASP 22 H ASP 22 -3.804 -5.778 -7.193 196 HA ASP 22 HA ASP 22 -3.962 -8.068 -8.880 197 HB2 ASP 22 2HB ASP 22 -2.121 -6.124 -8.552 198 HB3 ASP 22 1HB ASP 22 -1.368 -7.415 -7.621 199 H ALA 23 H ALA 23 -3.621 -7.654 -5.441 200 HA ALA 23 HA ALA 23 -3.439 -10.578 -5.182 201 HB1 ALA 23 1HB ALA 23 -1.160 -9.462 -4.937 202 HB2 ALA 23 2HB ALA 23 -1.666 -10.546 -3.641 203 HB3 ALA 23 3HB ALA 23 -1.774 -8.798 -3.420 204 H GLY 24 H GLY 24 -4.393 -11.472 -3.343 205 HA2 GLY 24 2HA GLY 24 -6.655 -10.311 -2.297 206 HA3 GLY 24 1HA GLY 24 -5.742 -11.582 -1.476 207 H THR 25 H THR 25 -6.886 -8.487 -1.196 208 HA THR 25 HA THR 25 -5.047 -7.918 1.020 209 HB THR 25 HB THR 25 -4.363 -6.728 -1.051 210 HG1 THR 25 1HG THR 25 -3.857 -5.758 0.897 211 HG21 THR 25 3HG2 THR 25 -6.518 -4.768 -0.851 212 HG22 THR 25 1HG2 THR 25 -7.011 -6.332 -1.498 213 HG23 THR 25 2HG2 THR 25 -5.708 -5.432 -2.267 214 H ALA 26 H ALA 26 -6.096 -5.334 1.499 215 HA ALA 26 HA ALA 26 -8.928 -5.780 2.130 216 HB1 ALA 26 1HB ALA 26 -7.300 -4.359 4.159 217 HB2 ALA 26 2HB ALA 26 -7.117 -6.115 4.064 218 HB3 ALA 26 3HB ALA 26 -8.708 -5.413 4.364 219 H GLU 27 H GLU 27 -9.809 -4.307 0.822 220 HA GLU 27 HA GLU 27 -8.938 -2.085 -0.359 221 HB2 GLU 27 2HB GLU 27 -11.617 -2.136 1.018 222 HB3 GLU 27 1HB GLU 27 -11.181 -1.215 -0.406 223 HG2 GLU 27 2HG GLU 27 -11.504 -4.187 -0.172 224 HG3 GLU 27 1HG GLU 27 -12.466 -3.066 -1.127 225 H LYS 28 H LYS 28 -9.729 -2.233 3.055 226 HA LYS 28 HA LYS 28 -9.860 0.437 3.715 227 HB2 LYS 28 2HB LYS 28 -8.380 -1.520 5.455 228 HB3 LYS 28 1HB LYS 28 -9.377 -0.156 5.942 229 HG2 LYS 28 2HG LYS 28 -10.293 -2.787 4.813 230 HG3 LYS 28 1HG LYS 28 -10.595 -2.130 6.420 231 HD2 LYS 28 2HD LYS 28 -11.582 -0.175 4.747 232 HD3 LYS 28 1HD LYS 28 -12.011 -1.669 3.913 233 HE2 LYS 28 2HE LYS 28 -13.827 -1.438 5.281 234 HE3 LYS 28 1HE LYS 28 -12.775 -2.389 6.330 235 HZ1 LYS 28 3HZ LYS 28 -12.489 -0.679 7.740 236 HZ2 LYS 28 1HZ LYS 28 -13.948 -0.126 7.085 237 HZ3 LYS 28 2HZ LYS 28 -12.476 0.492 6.518 238 H TYR 29 H TYR 29 -7.072 -1.344 2.688 239 HA TYR 29 HA TYR 29 -5.111 0.365 3.829 240 HB2 TYR 29 2HB TYR 29 -4.789 -1.403 1.387 241 HB3 TYR 29 1HB TYR 29 -3.498 -0.706 2.368 242 HD1 TYR 29 2HD TYR 29 -3.946 -1.232 5.035 243 HD2 TYR 29 1HD TYR 29 -5.102 -3.658 1.740 244 HE1 TYR 29 2HE TYR 29 -3.961 -3.202 6.501 245 HE2 TYR 29 1HE TYR 29 -5.121 -5.636 3.196 246 HH TYR 29 HH TYR 29 -3.924 -6.290 5.421 247 H PHE 30 H PHE 30 -6.311 0.193 0.440 248 HA PHE 30 HA PHE 30 -4.833 2.474 -0.335 249 HB2 PHE 30 2HB PHE 30 -5.979 2.415 -2.412 250 HB3 PHE 30 1HB PHE 30 -5.721 0.748 -1.921 251 HD1 PHE 30 1HD PHE 30 -8.329 3.419 -1.660 252 HD2 PHE 30 2HD PHE 30 -7.446 -0.711 -2.161 253 HE1 PHE 30 1HE PHE 30 -10.722 2.951 -1.984 254 HE2 PHE 30 2HE PHE 30 -9.839 -1.190 -2.479 255 HZ PHE 30 HZ PHE 30 -11.480 0.644 -2.394 256 H LYS 31 H LYS 31 -7.840 2.109 1.301 257 HA LYS 31 HA LYS 31 -8.813 4.751 0.694 258 HB2 LYS 31 2HB LYS 31 -9.720 3.149 3.063 259 HB3 LYS 31 1HB LYS 31 -10.643 4.260 2.063 260 HG2 LYS 31 2HG LYS 31 -9.744 2.111 0.427 261 HG3 LYS 31 1HG LYS 31 -10.479 1.444 1.884 262 HD2 LYS 31 2HD LYS 31 -11.988 3.663 0.724 263 HD3 LYS 31 1HD LYS 31 -11.836 2.275 -0.353 264 HE2 LYS 31 2HE LYS 31 -13.718 1.676 0.794 265 HE3 LYS 31 1HE LYS 31 -12.490 0.944 1.825 266 HZ1 LYS 31 3HZ LYS 31 -12.691 2.642 3.390 267 HZ2 LYS 31 1HZ LYS 31 -14.289 2.315 2.942 268 HZ3 LYS 31 2HZ LYS 31 -13.500 3.676 2.325 269 H LEU 32 H LEU 32 -6.688 3.302 2.971 270 HA LEU 32 HA LEU 32 -6.810 5.492 4.855 271 HB2 LEU 32 2HB LEU 32 -5.871 2.777 4.825 272 HB3 LEU 32 1HB LEU 32 -4.589 3.842 5.397 273 HG LEU 32 HG LEU 32 -7.012 4.582 6.716 274 HD11 LEU 32 1HD1 LEU 32 -8.086 2.592 6.645 275 HD12 LEU 32 2HD1 LEU 32 -7.003 2.245 7.992 276 HD13 LEU 32 3HD1 LEU 32 -6.608 1.672 6.375 277 HD21 LEU 32 3HD2 LEU 32 -5.650 4.649 8.510 278 HD22 LEU 32 1HD2 LEU 32 -4.381 4.473 7.299 279 HD23 LEU 32 2HD2 LEU 32 -4.960 3.060 8.180 280 H ILE 33 H ILE 33 -4.536 4.198 2.461 281 HA ILE 33 HA ILE 33 -2.472 6.045 3.031 282 HB ILE 33 HB ILE 33 -1.617 5.414 0.731 283 HG12 ILE 33 2HG1 ILE 33 -3.100 2.989 0.506 284 HG13 ILE 33 1HG1 ILE 33 -4.246 4.324 0.545 285 HG21 ILE 33 1HG2 ILE 33 -0.913 3.191 1.488 286 HG22 ILE 33 2HG2 ILE 33 -2.140 3.242 2.753 287 HG23 ILE 33 3HG2 ILE 33 -0.803 4.391 2.775 288 HD11 ILE 33 3HD1 ILE 33 -2.093 3.742 -1.433 289 HD12 ILE 33 1HD1 ILE 33 -2.704 5.383 -1.229 290 HD13 ILE 33 2HD1 ILE 33 -3.802 4.087 -1.702 291 H ALA 34 H ALA 34 -5.036 6.027 0.589 292 HA ALA 34 HA ALA 34 -4.279 8.243 -0.881 293 HB1 ALA 34 1HB ALA 34 -6.444 8.272 -1.756 294 HB2 ALA 34 2HB ALA 34 -7.153 7.648 -0.265 295 HB3 ALA 34 3HB ALA 34 -6.184 6.590 -1.293 296 H ASN 35 H ASN 35 -5.561 8.117 2.338 297 HA ASN 35 HA ASN 35 -6.143 10.987 2.286 298 HB2 ASN 35 2HB ASN 35 -7.350 10.673 4.340 299 HB3 ASN 35 1HB ASN 35 -7.849 9.413 3.209 300 HD21 ASN 35 1HD2 ASN 35 -8.452 7.861 4.589 301 HD22 ASN 35 2HD2 ASN 35 -7.411 7.111 5.745 302 H ALA 36 H ALA 36 -3.503 9.133 2.866 303 HA ALA 36 HA ALA 36 -2.497 10.016 5.321 304 HB1 ALA 36 1HB ALA 36 -0.223 9.672 4.018 305 HB2 ALA 36 2HB ALA 36 -1.297 8.912 2.845 306 HB3 ALA 36 3HB ALA 36 -1.233 8.312 4.503 307 H LYS 37 H LYS 37 -2.408 11.538 2.143 308 HA LYS 37 HA LYS 37 -2.039 13.710 1.552 309 HB2 LYS 37 2HB LYS 37 -1.338 14.322 4.421 310 HB3 LYS 37 1HB LYS 37 -1.823 15.454 3.160 311 HG2 LYS 37 2HG LYS 37 -3.605 13.303 4.279 312 HG3 LYS 37 1HG LYS 37 -3.585 14.978 4.844 313 HD2 LYS 37 2HD LYS 37 -4.027 14.284 1.955 314 HD3 LYS 37 1HD LYS 37 -5.357 14.326 3.112 315 HE2 LYS 37 2HE LYS 37 -3.559 16.571 2.247 316 HE3 LYS 37 1HE LYS 37 -5.311 16.450 2.083 317 HZ1 LYS 37 3HZ LYS 37 -5.156 17.805 3.899 318 HZ2 LYS 37 1HZ LYS 37 -3.704 17.122 4.440 319 HZ3 LYS 37 2HZ LYS 37 -5.164 16.301 4.681 320 H THR 38 H THR 38 0.072 11.502 2.432 321 HA THR 38 HA THR 38 2.364 13.137 1.630 322 HB THR 38 HB THR 38 3.780 11.802 3.241 323 HG1 THR 38 1HG THR 38 1.260 11.191 4.386 324 HG21 THR 38 3HG2 THR 38 3.669 13.749 4.286 325 HG22 THR 38 1HG2 THR 38 2.452 12.994 5.314 326 HG23 THR 38 2HG2 THR 38 1.956 13.959 3.924 327 H VAL 39 H VAL 39 3.755 12.128 0.238 328 HA VAL 39 HA VAL 39 2.785 9.833 -1.125 329 HB VAL 39 HB VAL 39 4.865 9.967 -2.452 330 HG11 VAL 39 1HG1 VAL 39 4.440 12.624 -2.893 331 HG12 VAL 39 2HG1 VAL 39 2.949 12.149 -2.079 332 HG13 VAL 39 3HG1 VAL 39 3.454 11.318 -3.550 333 HG21 VAL 39 3HG2 VAL 39 5.615 11.883 -0.294 334 HG22 VAL 39 1HG2 VAL 39 6.215 12.154 -1.929 335 HG23 VAL 39 2HG2 VAL 39 6.587 10.647 -1.093 336 H GLU 40 H GLU 40 5.621 10.356 0.969 337 HA GLU 40 HA GLU 40 6.665 7.773 0.817 338 HB2 GLU 40 2HB GLU 40 6.770 9.665 3.172 339 HB3 GLU 40 1HB GLU 40 7.842 8.297 2.895 340 HG2 GLU 40 2HG GLU 40 7.988 9.849 0.575 341 HG3 GLU 40 1HG GLU 40 8.022 10.990 1.919 342 H GLY 41 H GLY 41 3.916 8.984 2.542 343 HA2 GLY 41 2HA GLY 41 3.766 6.821 4.430 344 HA3 GLY 41 1HA GLY 41 2.520 8.020 4.116 345 H VAL 42 H VAL 42 2.149 7.618 1.393 346 HA VAL 42 HA VAL 42 0.421 5.354 1.439 347 HB VAL 42 HB VAL 42 1.241 7.181 -0.819 348 HG11 VAL 42 1HG1 VAL 42 -0.554 4.810 -0.753 349 HG12 VAL 42 2HG1 VAL 42 0.524 5.375 -2.026 350 HG13 VAL 42 3HG1 VAL 42 -1.015 6.190 -1.750 351 HG21 VAL 42 3HG2 VAL 42 -0.774 7.300 1.299 352 HG22 VAL 42 1HG2 VAL 42 -1.401 7.622 -0.317 353 HG23 VAL 42 2HG2 VAL 42 -0.074 8.591 0.323 354 H TRP 43 H TRP 43 3.429 6.112 -0.302 355 HA TRP 43 HA TRP 43 3.560 3.715 -1.753 356 HB2 TRP 43 2HB TRP 43 5.616 5.751 -0.920 357 HB3 TRP 43 1HB TRP 43 6.121 4.285 -1.756 358 HD1 TRP 43 HD TRP 43 4.062 7.493 -2.326 359 HE1 TRP 43 1HE TRP 43 3.824 7.870 -4.852 360 HE3 TRP 43 3HE TRP 43 6.101 3.109 -4.005 361 HZ2 TRP 43 2HZ TRP 43 4.406 6.503 -7.242 362 HZ3 TRP 43 3HZ TRP 43 6.205 2.722 -6.434 363 HH2 TRP 43 HH TRP 43 5.376 4.387 -8.014 364 H THR 44 H THR 44 4.720 4.548 1.480 365 HA THR 44 HA THR 44 6.202 2.187 1.933 366 HB THR 44 HB THR 44 5.729 2.738 4.397 367 HG1 THR 44 1HG THR 44 4.747 5.159 3.324 368 HG21 THR 44 3HG2 THR 44 7.220 4.395 2.472 369 HG22 THR 44 1HG2 THR 44 7.768 3.558 3.924 370 HG23 THR 44 2HG2 THR 44 6.924 5.101 4.061 371 H LEU 45 H LEU 45 2.871 3.080 2.811 372 HA LEU 45 HA LEU 45 2.123 0.690 4.023 373 HB2 LEU 45 2HB LEU 45 0.786 3.028 2.926 374 HB3 LEU 45 1HB LEU 45 -0.158 1.570 2.687 375 HD11 LEU 45 1HD1 LEU 45 0.562 4.204 4.634 376 HD12 LEU 45 2HD1 LEU 45 1.546 3.297 5.784 377 HD13 LEU 45 3HD1 LEU 45 -0.132 3.682 6.168 378 HD21 LEU 45 3HD2 LEU 45 -1.855 2.965 4.826 379 HD22 LEU 45 1HD2 LEU 45 -1.693 1.414 5.651 380 HD23 LEU 45 2HD2 LEU 45 -1.753 1.475 3.889 381 H LYS 46 H LYS 46 2.207 1.613 0.628 382 HA LYS 46 HA LYS 46 0.837 -0.549 -0.482 383 HB2 LYS 46 2HB LYS 46 1.508 1.434 -1.768 384 HB3 LYS 46 1HB LYS 46 3.197 0.966 -1.620 385 HG2 LYS 46 2HG LYS 46 1.614 -1.178 -2.728 386 HG3 LYS 46 1HG LYS 46 1.442 0.305 -3.668 387 HD2 LYS 46 2HD LYS 46 3.335 -0.379 -4.673 388 HD3 LYS 46 1HD LYS 46 4.126 0.258 -3.230 389 HE2 LYS 46 2HE LYS 46 4.262 -1.886 -2.243 390 HE3 LYS 46 1HE LYS 46 3.149 -2.579 -3.423 391 HZ1 LYS 46 3HZ LYS 46 4.762 -2.537 -5.079 392 HZ2 LYS 46 1HZ LYS 46 5.626 -3.031 -3.711 393 HZ3 LYS 46 2HZ LYS 46 5.742 -1.433 -4.253 394 H ASP 47 H ASP 47 4.274 -0.177 0.312 395 HA ASP 47 HA ASP 47 5.172 -2.649 -0.638 396 HB2 ASP 47 2HB ASP 47 6.622 -0.747 0.140 397 HB3 ASP 47 1HB ASP 47 6.223 -1.192 1.797 398 H GLU 48 H GLU 48 3.493 -1.753 2.283 399 HA GLU 48 HA GLU 48 3.939 -4.182 3.698 400 HB2 GLU 48 2HB GLU 48 2.743 -1.700 4.239 401 HB3 GLU 48 1HB GLU 48 1.456 -2.884 4.418 402 HG2 GLU 48 2HG GLU 48 2.482 -3.938 6.181 403 HG3 GLU 48 1HG GLU 48 4.091 -3.389 5.713 404 H ILE 49 H ILE 49 1.783 -3.213 1.182 405 HA ILE 49 HA ILE 49 -0.167 -5.284 1.620 406 HB ILE 49 HB ILE 49 0.262 -3.723 -0.922 407 HG12 ILE 49 2HG1 ILE 49 0.082 -2.198 1.026 408 HG13 ILE 49 1HG1 ILE 49 -1.288 -2.059 -0.069 409 HG21 ILE 49 1HG2 ILE 49 -1.313 -5.816 -0.611 410 HG22 ILE 49 2HG2 ILE 49 -1.809 -4.425 -1.573 411 HG23 ILE 49 3HG2 ILE 49 -2.392 -4.605 0.081 412 HD11 ILE 49 3HD1 ILE 49 -1.992 -2.003 2.255 413 HD12 ILE 49 1HD1 ILE 49 -1.253 -3.580 2.527 414 HD13 ILE 49 2HD1 ILE 49 -2.630 -3.429 1.436 415 H LYS 50 H LYS 50 2.784 -4.902 -0.204 416 HA LYS 50 HA LYS 50 2.366 -7.220 -1.853 417 HB2 LYS 50 2HB LYS 50 3.821 -5.150 -2.367 418 HB3 LYS 50 1HB LYS 50 5.031 -5.921 -1.350 419 HG2 LYS 50 2HG LYS 50 5.725 -6.908 -3.220 420 HG3 LYS 50 1HG LYS 50 4.312 -7.950 -3.040 421 HD2 LYS 50 2HD LYS 50 3.042 -6.177 -4.360 422 HD3 LYS 50 1HD LYS 50 4.623 -5.500 -4.756 423 HE2 LYS 50 2HE LYS 50 5.126 -7.174 -6.180 424 HE3 LYS 50 1HE LYS 50 4.354 -8.399 -5.175 425 HZ1 LYS 50 3HZ LYS 50 3.248 -6.810 -7.344 426 HZ2 LYS 50 1HZ LYS 50 2.225 -7.062 -6.020 427 HZ3 LYS 50 2HZ LYS 50 2.872 -8.385 -6.853 428 H THR 51 H THR 51 3.883 -6.519 1.212 429 HA THR 51 HA THR 51 4.973 -9.235 1.364 430 HB THR 51 HB THR 51 5.334 -7.183 3.513 431 HG1 THR 51 1HG THR 51 7.068 -6.324 2.360 432 HG21 THR 51 3HG2 THR 51 6.312 -9.702 3.224 433 HG22 THR 51 1HG2 THR 51 7.038 -8.430 4.202 434 HG23 THR 51 2HG2 THR 51 7.620 -8.721 2.562 435 H PHE 52 H PHE 52 2.818 -7.020 3.081 436 HA PHE 52 HA PHE 52 1.136 -7.358 4.549 437 HB2 PHE 52 2HB PHE 52 1.104 -9.653 2.775 438 HB3 PHE 52 1HB PHE 52 0.490 -10.061 4.374 439 HD1 PHE 52 2HD PHE 52 0.201 -7.137 2.079 440 HD2 PHE 52 1HD PHE 52 -1.797 -10.001 4.505 441 HE1 PHE 52 2HE PHE 52 -1.963 -6.111 1.493 442 HE2 PHE 52 1HE PHE 52 -3.962 -8.984 3.924 443 HZ PHE 52 HZ PHE 52 -4.044 -7.039 2.418 444 H THR 53 H THR 53 4.029 -8.149 5.156 445 HA THR 53 HA THR 53 5.238 -8.898 6.915 446 HB THR 53 HB THR 53 3.093 -7.581 7.969 447 HG1 THR 53 1HG THR 53 5.112 -7.309 8.782 448 HG21 THR 53 3HG2 THR 53 3.225 -9.940 9.768 449 HG22 THR 53 1HG2 THR 53 2.110 -9.978 8.406 450 HG23 THR 53 2HG2 THR 53 1.980 -8.701 9.613 451 H VAL 54 H VAL 54 4.940 -10.656 8.903 452 HA VAL 54 HA VAL 54 4.789 -12.859 9.463 453 HB VAL 54 HB VAL 54 2.913 -13.219 7.130 454 HG11 VAL 54 1HG1 VAL 54 3.329 -14.787 9.672 455 HG12 VAL 54 2HG1 VAL 54 3.770 -15.291 8.037 456 HG13 VAL 54 3HG1 VAL 54 2.073 -15.103 8.484 457 HG21 VAL 54 3HG2 VAL 54 1.375 -13.105 9.419 458 HG22 VAL 54 1HG2 VAL 54 1.529 -11.832 8.200 459 HG23 VAL 54 2HG2 VAL 54 2.544 -11.800 9.643 460 H THR 55 H THR 55 4.412 -12.968 5.918 461 HA THR 55 HA THR 55 5.493 -14.277 4.376 462 HB THR 55 HB THR 55 7.484 -12.495 5.697 463 HG1 THR 55 1HG THR 55 6.119 -11.562 4.220 464 HG21 THR 55 3HG2 THR 55 8.990 -13.060 3.656 465 HG22 THR 55 1HG2 THR 55 8.176 -14.620 3.723 466 HG23 THR 55 2HG2 THR 55 9.092 -14.039 5.117 467 H GLU 56 H GLU 56 5.136 -16.387 5.066 468 HA GLU 56 HA GLU 56 7.401 -17.951 5.574 469 HB2 GLU 56 2HB GLU 56 6.986 -18.722 7.847 470 HB3 GLU 56 1HB GLU 56 7.260 -16.989 7.836 471 HG2 GLU 56 2HG GLU 56 5.218 -16.538 8.624 472 HG3 GLU 56 1HG GLU 56 4.446 -17.733 7.582 Start of MODEL 15 1 H1 THR 1 1HT THR 1 7.359 30.144 -10.655 2 H2 THR 1 2HT THR 1 7.385 31.445 -11.774 3 H3 THR 1 3HT THR 1 8.857 30.756 -11.221 4 HA THR 1 HA THR 1 6.803 29.371 -12.801 5 HB THR 1 HB THR 1 9.528 30.055 -13.809 6 HG1 THR 1 1HG THR 1 9.080 32.085 -13.384 7 HG21 THR 1 3HG2 THR 1 7.942 28.700 -15.144 8 HG22 THR 1 1HG2 THR 1 8.471 30.186 -15.935 9 HG23 THR 1 2HG2 THR 1 6.869 30.097 -15.204 10 H THR 2 H THR 2 6.857 27.416 -11.777 11 HA THR 2 HA THR 2 9.438 26.015 -11.821 12 HB THR 2 HB THR 2 7.494 25.422 -9.630 13 HG1 THR 2 1HG THR 2 7.732 27.383 -8.928 14 HG21 THR 2 3HG2 THR 2 9.410 24.768 -8.392 15 HG22 THR 2 1HG2 THR 2 10.498 25.452 -9.598 16 HG23 THR 2 2HG2 THR 2 9.528 24.034 -9.983 17 H TYR 3 H TYR 3 9.254 23.679 -11.921 18 HA TYR 3 HA TYR 3 6.755 22.846 -13.239 19 HB2 TYR 3 2HB TYR 3 9.617 22.271 -13.763 20 HB3 TYR 3 1HB TYR 3 8.497 20.932 -13.990 21 HD1 TYR 3 2HD TYR 3 8.184 24.587 -14.699 22 HD2 TYR 3 1HD TYR 3 8.181 20.630 -16.260 23 HE1 TYR 3 2HE TYR 3 7.591 25.468 -16.917 24 HE2 TYR 3 1HE TYR 3 7.588 21.500 -18.483 25 HH TYR 3 HH TYR 3 6.511 23.501 -19.449 26 H LYS 4 H LYS 4 9.250 21.861 -10.943 27 HA LYS 4 HA LYS 4 9.296 20.313 -9.289 28 HB2 LYS 4 2HB LYS 4 6.527 21.294 -9.396 29 HB3 LYS 4 1HB LYS 4 6.733 19.761 -8.559 30 HG2 LYS 4 2HG LYS 4 8.011 20.686 -6.893 31 HG3 LYS 4 1HG LYS 4 8.547 22.029 -7.907 32 HD2 LYS 4 2HD LYS 4 5.873 22.479 -7.821 33 HD3 LYS 4 1HD LYS 4 6.141 21.757 -6.234 34 HE2 LYS 4 2HE LYS 4 6.832 23.745 -5.533 35 HE3 LYS 4 1HE LYS 4 8.237 23.566 -6.583 36 HZ1 LYS 4 3HZ LYS 4 6.384 24.421 -8.311 37 HZ2 LYS 4 1HZ LYS 4 7.454 25.442 -7.497 38 HZ3 LYS 4 2HZ LYS 4 5.883 25.220 -6.909 39 H LEU 5 H LEU 5 8.762 18.085 -8.684 40 HA LEU 5 HA LEU 5 8.000 16.496 -11.038 41 HB2 LEU 5 2HB LEU 5 9.766 15.161 -10.710 42 HB3 LEU 5 1HB LEU 5 10.389 16.482 -9.744 43 HG LEU 5 HG LEU 5 9.225 15.305 -7.759 44 HD11 LEU 5 1HD1 LEU 5 9.636 12.706 -8.917 45 HD12 LEU 5 2HD1 LEU 5 8.424 13.608 -9.828 46 HD13 LEU 5 3HD1 LEU 5 8.218 13.358 -8.095 47 HD21 LEU 5 3HD2 LEU 5 11.469 15.230 -7.495 48 HD22 LEU 5 1HD2 LEU 5 11.754 14.664 -9.141 49 HD23 LEU 5 2HD2 LEU 5 11.235 13.528 -7.896 50 H ILE 6 H ILE 6 7.281 17.216 -7.759 51 HA ILE 6 HA ILE 6 6.134 14.969 -6.728 52 HB ILE 6 HB ILE 6 6.317 17.186 -5.597 53 HG12 ILE 6 2HG1 ILE 6 4.330 16.906 -4.220 54 HG13 ILE 6 1HG1 ILE 6 3.558 15.958 -5.484 55 HG21 ILE 6 1HG2 ILE 6 4.995 18.213 -7.691 56 HG22 ILE 6 2HG2 ILE 6 5.057 18.985 -6.107 57 HG23 ILE 6 3HG2 ILE 6 3.656 18.015 -6.561 58 HD11 ILE 6 3HD1 ILE 6 4.967 14.964 -3.362 59 HD12 ILE 6 1HD1 ILE 6 6.139 14.892 -4.678 60 HD13 ILE 6 2HD1 ILE 6 4.577 14.089 -4.842 61 H LEU 7 H LEU 7 4.718 13.587 -7.555 62 HA LEU 7 HA LEU 7 2.760 14.522 -9.517 63 HB2 LEU 7 2HB LEU 7 3.721 11.772 -8.750 64 HB3 LEU 7 1HB LEU 7 2.377 12.041 -9.843 65 HG LEU 7 HG LEU 7 5.071 13.243 -10.396 66 HD11 LEU 7 1HD1 LEU 7 5.119 11.125 -12.000 67 HD12 LEU 7 2HD1 LEU 7 4.221 10.419 -10.657 68 HD13 LEU 7 3HD1 LEU 7 5.824 11.103 -10.385 69 HD21 LEU 7 3HD2 LEU 7 4.247 13.717 -12.449 70 HD22 LEU 7 1HD2 LEU 7 2.711 13.677 -11.584 71 HD23 LEU 7 2HD2 LEU 7 3.242 12.268 -12.502 72 H ASN 8 H ASN 8 2.371 15.169 -6.751 73 HA ASN 8 HA ASN 8 0.765 15.164 -5.141 74 HB2 ASN 8 2HB ASN 8 -0.647 14.489 -7.655 75 HB3 ASN 8 1HB ASN 8 -1.527 14.148 -6.162 76 HD21 ASN 8 1HD2 ASN 8 -2.687 15.740 -5.374 77 HD22 ASN 8 2HD2 ASN 8 -2.461 17.423 -5.693 78 H LEU 9 H LEU 9 -1.172 13.589 -4.284 79 HA LEU 9 HA LEU 9 0.214 11.276 -3.326 80 HB2 LEU 9 2HB LEU 9 -2.704 11.484 -2.882 81 HB3 LEU 9 1HB LEU 9 -1.422 11.102 -1.751 82 HG LEU 9 HG LEU 9 -2.244 13.845 -2.695 83 HD11 LEU 9 1HD1 LEU 9 -2.337 12.491 -0.004 84 HD12 LEU 9 2HD1 LEU 9 -3.716 12.892 -1.028 85 HD13 LEU 9 3HD1 LEU 9 -2.745 14.179 -0.312 86 HD21 LEU 9 3HD2 LEU 9 0.111 13.946 -2.503 87 HD22 LEU 9 1HD2 LEU 9 0.109 12.951 -1.047 88 HD23 LEU 9 2HD2 LEU 9 -0.529 14.594 -0.994 89 H LYS 10 H LYS 10 -2.211 11.917 -5.750 90 HA LYS 10 HA LYS 10 -3.465 9.575 -6.209 91 HB2 LYS 10 2HB LYS 10 -2.381 11.644 -8.066 92 HB3 LYS 10 1HB LYS 10 -3.053 10.171 -8.749 93 HG2 LYS 10 2HG LYS 10 -5.007 11.234 -8.680 94 HG3 LYS 10 1HG LYS 10 -4.977 10.905 -6.948 95 HD2 LYS 10 2HD LYS 10 -5.292 13.160 -6.872 96 HD3 LYS 10 1HD LYS 10 -3.528 13.133 -6.942 97 HE2 LYS 10 2HE LYS 10 -3.514 14.183 -8.904 98 HE3 LYS 10 1HE LYS 10 -4.675 13.047 -9.590 99 HZ1 LYS 10 3HZ LYS 10 -5.118 15.668 -8.412 100 HZ2 LYS 10 1HZ LYS 10 -6.281 14.490 -8.057 101 HZ3 LYS 10 2HZ LYS 10 -5.945 14.891 -9.666 102 H GLN 11 H GLN 11 -0.213 10.325 -7.493 103 HA GLN 11 HA GLN 11 0.286 7.972 -8.833 104 HB2 GLN 11 2HB GLN 11 2.723 8.376 -8.196 105 HB3 GLN 11 1HB GLN 11 1.897 9.682 -9.034 106 HG2 GLN 11 2HG GLN 11 2.359 11.080 -7.389 107 HG3 GLN 11 1HG GLN 11 1.551 10.026 -6.226 108 HE21 GLN 11 1HE2 GLN 11 4.447 9.428 -8.156 109 HE22 GLN 11 2HE2 GLN 11 5.515 9.214 -6.815 110 H ALA 12 H ALA 12 0.445 8.611 -5.386 111 HA ALA 12 HA ALA 12 1.479 5.975 -4.787 112 HB1 ALA 12 1HB ALA 12 1.915 6.752 -2.711 113 HB2 ALA 12 2HB ALA 12 0.408 7.664 -2.615 114 HB3 ALA 12 3HB ALA 12 1.776 8.312 -3.521 115 H LYS 13 H LYS 13 -1.598 7.708 -4.593 116 HA LYS 13 HA LYS 13 -3.021 5.808 -3.115 117 HB2 LYS 13 2HB LYS 13 -4.441 7.535 -3.261 118 HB3 LYS 13 1HB LYS 13 -3.631 8.173 -4.684 119 HG2 LYS 13 2HG LYS 13 -5.567 5.887 -4.859 120 HG3 LYS 13 1HG LYS 13 -6.098 7.571 -4.887 121 HD2 LYS 13 2HD LYS 13 -3.912 7.247 -6.695 122 HD3 LYS 13 1HD LYS 13 -5.124 6.008 -7.031 123 HE2 LYS 13 2HE LYS 13 -6.846 7.823 -7.059 124 HE3 LYS 13 1HE LYS 13 -5.532 8.993 -6.942 125 HZ1 LYS 13 3HZ LYS 13 -6.048 8.805 -9.212 126 HZ2 LYS 13 1HZ LYS 13 -6.099 7.113 -9.158 127 HZ3 LYS 13 2HZ LYS 13 -4.620 7.920 -9.010 128 H GLU 14 H GLU 14 -2.242 6.045 -6.520 129 HA GLU 14 HA GLU 14 -3.858 3.796 -7.288 130 HB2 GLU 14 2HB GLU 14 -3.508 5.393 -9.001 131 HB3 GLU 14 1HB GLU 14 -1.784 5.484 -8.683 132 HG2 GLU 14 2HG GLU 14 -1.641 3.093 -9.511 133 HG3 GLU 14 1HG GLU 14 -3.300 3.292 -10.076 134 H GLU 15 H GLU 15 -0.567 4.394 -6.297 135 HA GLU 15 HA GLU 15 0.741 2.097 -7.123 136 HB2 GLU 15 2HB GLU 15 1.062 4.073 -4.962 137 HB3 GLU 15 1HB GLU 15 1.814 2.517 -4.645 138 HG2 GLU 15 2HG GLU 15 2.310 4.304 -7.013 139 HG3 GLU 15 1HG GLU 15 3.387 4.033 -5.640 140 H ALA 16 H ALA 16 -1.081 2.635 -4.120 141 HA ALA 16 HA ALA 16 -0.808 -0.077 -3.245 142 HB1 ALA 16 1HB ALA 16 -2.826 1.884 -2.203 143 HB2 ALA 16 2HB ALA 16 -1.114 2.001 -1.795 144 HB3 ALA 16 3HB ALA 16 -2.030 0.560 -1.351 145 H ILE 17 H ILE 17 -3.307 1.818 -4.856 146 HA ILE 17 HA ILE 17 -5.404 -0.019 -4.669 147 HB ILE 17 HB ILE 17 -4.764 2.205 -6.571 148 HG12 ILE 17 2HG1 ILE 17 -7.058 1.669 -4.678 149 HG13 ILE 17 1HG1 ILE 17 -5.683 2.726 -4.370 150 HG21 ILE 17 1HG2 ILE 17 -7.093 0.312 -6.909 151 HG22 ILE 17 2HG2 ILE 17 -5.771 0.579 -8.046 152 HG23 ILE 17 3HG2 ILE 17 -6.926 1.869 -7.718 153 HD11 ILE 17 3HD1 ILE 17 -8.038 3.140 -6.134 154 HD12 ILE 17 1HD1 ILE 17 -6.511 3.923 -6.543 155 HD13 ILE 17 2HD1 ILE 17 -7.276 4.241 -4.985 156 H LYS 18 H LYS 18 -2.984 0.419 -7.252 157 HA LYS 18 HA LYS 18 -3.878 -1.675 -8.896 158 HB2 LYS 18 2HB LYS 18 -1.184 -0.357 -8.580 159 HB3 LYS 18 1HB LYS 18 -1.475 -1.624 -9.764 160 HG2 LYS 18 2HG LYS 18 -3.335 0.680 -9.751 161 HG3 LYS 18 1HG LYS 18 -1.696 0.952 -10.346 162 HD2 LYS 18 2HD LYS 18 -1.942 -0.616 -12.072 163 HD3 LYS 18 1HD LYS 18 -3.357 -1.353 -11.319 164 HE2 LYS 18 2HE LYS 18 -4.217 1.195 -11.651 165 HE3 LYS 18 1HE LYS 18 -3.144 1.023 -13.040 166 HZ1 LYS 18 3HZ LYS 18 -5.546 0.374 -13.372 167 HZ2 LYS 18 1HZ LYS 18 -5.228 -0.980 -12.406 168 HZ3 LYS 18 2HZ LYS 18 -4.393 -0.762 -13.861 169 H GLU 19 H GLU 19 -1.524 -1.610 -6.258 170 HA GLU 19 HA GLU 19 -0.729 -4.325 -6.548 171 HB2 GLU 19 2HB GLU 19 -0.510 -2.528 -4.129 172 HB3 GLU 19 1HB GLU 19 0.411 -4.000 -4.426 173 HG2 GLU 19 2HG GLU 19 0.552 -1.824 -6.440 174 HG3 GLU 19 1HG GLU 19 1.403 -1.605 -4.910 175 H LEU 20 H LEU 20 -3.207 -2.660 -4.695 176 HA LEU 20 HA LEU 20 -3.810 -4.751 -2.933 177 HB2 LEU 20 2HB LEU 20 -4.953 -2.194 -3.648 178 HB3 LEU 20 1HB LEU 20 -6.204 -3.383 -3.342 179 HG LEU 20 HG LEU 20 -5.157 -3.842 -1.116 180 HD11 LEU 20 1HD1 LEU 20 -2.937 -2.712 -2.074 181 HD12 LEU 20 2HD1 LEU 20 -3.320 -2.782 -0.351 182 HD13 LEU 20 3HD1 LEU 20 -3.650 -1.310 -1.270 183 HD21 LEU 20 3HD2 LEU 20 -7.054 -2.318 -1.353 184 HD22 LEU 20 1HD2 LEU 20 -5.942 -0.981 -1.630 185 HD23 LEU 20 2HD2 LEU 20 -5.962 -1.796 -0.071 186 H VAL 21 H VAL 21 -5.205 -3.936 -6.094 187 HA VAL 21 HA VAL 21 -7.096 -6.072 -6.022 188 HB VAL 21 HB VAL 21 -6.961 -5.651 -8.676 189 HG11 VAL 21 1HG1 VAL 21 -8.435 -3.504 -8.070 190 HG12 VAL 21 2HG1 VAL 21 -8.343 -4.241 -6.471 191 HG13 VAL 21 3HG1 VAL 21 -9.001 -5.156 -7.828 192 HG21 VAL 21 3HG2 VAL 21 -4.951 -4.023 -8.009 193 HG22 VAL 21 1HG2 VAL 21 -6.291 -2.889 -7.851 194 HG23 VAL 21 2HG2 VAL 21 -6.014 -3.721 -9.381 195 H ASP 22 H ASP 22 -3.792 -5.753 -7.079 196 HA ASP 22 HA ASP 22 -3.634 -8.083 -8.665 197 HB2 ASP 22 2HB ASP 22 -1.985 -6.087 -8.451 198 HB3 ASP 22 1HB ASP 22 -1.298 -7.008 -7.117 199 H ALA 23 H ALA 23 -3.619 -7.615 -5.221 200 HA ALA 23 HA ALA 23 -3.175 -10.513 -4.900 201 HB1 ALA 23 1HB ALA 23 -1.602 -10.303 -3.237 202 HB2 ALA 23 2HB ALA 23 -2.117 -8.674 -2.799 203 HB3 ALA 23 3HB ALA 23 -1.176 -8.939 -4.270 204 H GLY 24 H GLY 24 -4.204 -11.499 -3.107 205 HA2 GLY 24 2HA GLY 24 -6.750 -10.413 -2.481 206 HA3 GLY 24 1HA GLY 24 -6.036 -11.863 -1.766 207 H THR 25 H THR 25 -5.740 -8.324 -1.654 208 HA THR 25 HA THR 25 -5.052 -8.503 1.195 209 HB THR 25 HB THR 25 -3.381 -7.339 0.017 210 HG1 THR 25 1HG THR 25 -3.737 -5.115 0.751 211 HG21 THR 25 3HG2 THR 25 -3.973 -5.272 -1.308 212 HG22 THR 25 1HG2 THR 25 -5.611 -5.918 -1.371 213 HG23 THR 25 2HG2 THR 25 -4.272 -6.835 -2.065 214 H ALA 26 H ALA 26 -5.713 -5.835 1.854 215 HA ALA 26 HA ALA 26 -8.651 -5.979 1.810 216 HB1 ALA 26 1HB ALA 26 -7.206 -6.043 3.999 217 HB2 ALA 26 2HB ALA 26 -8.720 -5.138 3.946 218 HB3 ALA 26 3HB ALA 26 -7.178 -4.299 3.783 219 H GLU 27 H GLU 27 -9.853 -4.043 1.568 220 HA GLU 27 HA GLU 27 -8.715 -2.220 -0.321 221 HB2 GLU 27 2HB GLU 27 -11.019 -1.146 -0.162 222 HB3 GLU 27 1HB GLU 27 -10.956 -2.804 -0.739 223 HG2 GLU 27 2HG GLU 27 -12.271 -3.495 0.895 224 HG3 GLU 27 1HG GLU 27 -11.251 -2.740 2.119 225 H LYS 28 H LYS 28 -9.603 -2.104 3.065 226 HA LYS 28 HA LYS 28 -9.716 0.562 3.618 227 HB2 LYS 28 2HB LYS 28 -8.117 -1.291 5.372 228 HB3 LYS 28 1HB LYS 28 -9.100 0.086 5.846 229 HG2 LYS 28 2HG LYS 28 -10.039 -2.600 4.875 230 HG3 LYS 28 1HG LYS 28 -10.271 -1.880 6.470 231 HD2 LYS 28 2HD LYS 28 -11.544 -0.028 5.245 232 HD3 LYS 28 1HD LYS 28 -11.566 -1.127 3.865 233 HE2 LYS 28 2HE LYS 28 -12.572 -1.867 6.609 234 HE3 LYS 28 1HE LYS 28 -13.601 -1.202 5.338 235 HZ1 LYS 28 3HZ LYS 28 -13.892 -3.378 4.893 236 HZ2 LYS 28 1HZ LYS 28 -12.419 -3.853 5.578 237 HZ3 LYS 28 2HZ LYS 28 -12.459 -3.190 4.016 238 H TYR 29 H TYR 29 -6.870 -1.275 2.772 239 HA TYR 29 HA TYR 29 -4.924 0.545 3.659 240 HB2 TYR 29 2HB TYR 29 -4.684 -1.338 1.295 241 HB3 TYR 29 1HB TYR 29 -3.360 -0.566 2.167 242 HD1 TYR 29 2HD TYR 29 -3.840 -0.910 4.915 243 HD2 TYR 29 1HD TYR 29 -4.763 -3.610 1.760 244 HE1 TYR 29 2HE TYR 29 -3.747 -2.784 6.501 245 HE2 TYR 29 1HE TYR 29 -4.671 -5.488 3.336 246 HH TYR 29 HH TYR 29 -3.366 -5.229 6.444 247 H PHE 30 H PHE 30 -6.281 0.213 0.338 248 HA PHE 30 HA PHE 30 -4.876 2.427 -0.664 249 HB2 PHE 30 2HB PHE 30 -6.354 2.408 -2.563 250 HB3 PHE 30 1HB PHE 30 -5.982 0.751 -2.120 251 HD1 PHE 30 2HD PHE 30 -8.585 3.293 -1.177 252 HD2 PHE 30 1HD PHE 30 -7.716 -0.694 -2.386 253 HE1 PHE 30 2HE PHE 30 -10.981 2.762 -1.135 254 HE2 PHE 30 1HE PHE 30 -10.113 -1.229 -2.350 255 HZ PHE 30 HZ PHE 30 -11.751 0.499 -1.724 256 H LYS 31 H LYS 31 -7.675 2.233 1.337 257 HA LYS 31 HA LYS 31 -8.513 4.953 0.790 258 HB2 LYS 31 2HB LYS 31 -9.669 2.654 2.034 259 HB3 LYS 31 1HB LYS 31 -9.683 3.977 3.195 260 HG2 LYS 31 2HG LYS 31 -10.831 5.392 1.559 261 HG3 LYS 31 1HG LYS 31 -10.836 4.051 0.412 262 HD2 LYS 31 2HD LYS 31 -12.562 3.038 1.428 263 HD3 LYS 31 1HD LYS 31 -11.924 3.367 3.041 264 HE2 LYS 31 2HE LYS 31 -14.134 4.462 2.454 265 HE3 LYS 31 1HE LYS 31 -12.875 5.521 3.090 266 HZ1 LYS 31 3HZ LYS 31 -14.154 6.322 1.071 267 HZ2 LYS 31 1HZ LYS 31 -13.291 5.170 0.183 268 HZ3 LYS 31 2HZ LYS 31 -12.468 6.411 0.984 269 H LEU 32 H LEU 32 -6.715 3.174 3.205 270 HA LEU 32 HA LEU 32 -6.512 5.312 5.081 271 HB2 LEU 32 2HB LEU 32 -5.759 2.567 4.912 272 HB3 LEU 32 1HB LEU 32 -4.334 3.498 5.358 273 HG LEU 32 HG LEU 32 -6.853 4.028 6.854 274 HD11 LEU 32 1HD1 LEU 32 -6.813 1.604 6.772 275 HD12 LEU 32 2HD1 LEU 32 -6.382 2.172 8.385 276 HD13 LEU 32 3HD1 LEU 32 -5.126 1.596 7.289 277 HD21 LEU 32 3HD2 LEU 32 -4.933 3.939 8.679 278 HD22 LEU 32 1HD2 LEU 32 -5.200 5.364 7.675 279 HD23 LEU 32 2HD2 LEU 32 -3.920 4.223 7.264 280 H ILE 33 H ILE 33 -4.664 4.268 2.306 281 HA ILE 33 HA ILE 33 -2.440 6.000 2.925 282 HB ILE 33 HB ILE 33 -1.619 5.320 0.645 283 HG12 ILE 33 2HG1 ILE 33 -3.156 2.936 0.396 284 HG13 ILE 33 1HG1 ILE 33 -4.277 4.291 0.458 285 HG21 ILE 33 1HG2 ILE 33 -2.178 2.941 2.376 286 HG22 ILE 33 2HG2 ILE 33 -1.105 4.235 2.905 287 HG23 ILE 33 3HG2 ILE 33 -0.728 3.321 1.446 288 HD11 ILE 33 3HD1 ILE 33 -2.763 5.354 -1.313 289 HD12 ILE 33 1HD1 ILE 33 -3.830 4.037 -1.800 290 HD13 ILE 33 2HD1 ILE 33 -2.115 3.730 -1.524 291 H ALA 34 H ALA 34 -5.062 5.941 0.516 292 HA ALA 34 HA ALA 34 -4.333 8.184 -0.951 293 HB1 ALA 34 1HB ALA 34 -6.234 6.505 -1.361 294 HB2 ALA 34 2HB ALA 34 -6.499 8.187 -1.821 295 HB3 ALA 34 3HB ALA 34 -7.200 7.561 -0.330 296 H ASN 35 H ASN 35 -5.682 7.931 2.228 297 HA ASN 35 HA ASN 35 -6.552 10.665 2.383 298 HB2 ASN 35 2HB ASN 35 -7.740 9.098 3.732 299 HB3 ASN 35 1HB ASN 35 -6.249 8.467 4.435 300 HD21 ASN 35 1HD2 ASN 35 -8.797 10.619 4.793 301 HD22 ASN 35 2HD2 ASN 35 -8.185 11.525 6.131 302 H ALA 36 H ALA 36 -3.582 8.990 2.807 303 HA ALA 36 HA ALA 36 -2.346 10.825 4.618 304 HB1 ALA 36 1HB ALA 36 -0.274 9.679 4.053 305 HB2 ALA 36 2HB ALA 36 -1.083 8.854 2.722 306 HB3 ALA 36 3HB ALA 36 -1.562 8.523 4.387 307 H LYS 37 H LYS 37 -2.017 12.889 4.077 308 HA LYS 37 HA LYS 37 -1.915 13.901 1.470 309 HB2 LYS 37 2HB LYS 37 -0.782 15.910 2.616 310 HB3 LYS 37 1HB LYS 37 -2.416 15.480 3.122 311 HG2 LYS 37 2HG LYS 37 -1.720 14.695 5.165 312 HG3 LYS 37 1HG LYS 37 -0.083 14.358 4.602 313 HD2 LYS 37 2HD LYS 37 0.614 16.501 4.911 314 HD3 LYS 37 1HD LYS 37 -0.975 17.184 4.562 315 HE2 LYS 37 2HE LYS 37 -1.709 16.157 6.782 316 HE3 LYS 37 1HE LYS 37 0.010 15.947 7.117 317 HZ1 LYS 37 3HZ LYS 37 -0.970 18.029 8.016 318 HZ2 LYS 37 1HZ LYS 37 -1.214 18.557 6.425 319 HZ3 LYS 37 2HZ LYS 37 0.355 18.277 6.993 320 H THR 38 H THR 38 0.493 12.330 3.354 321 HA THR 38 HA THR 38 2.656 13.321 1.660 322 HB THR 38 HB THR 38 4.064 11.843 3.206 323 HG1 THR 38 1HG THR 38 1.750 11.942 4.830 324 HG21 THR 38 3HG2 THR 38 2.532 14.138 4.397 325 HG22 THR 38 1HG2 THR 38 4.070 14.220 3.539 326 HG23 THR 38 2HG2 THR 38 3.975 13.406 5.099 327 H VAL 39 H VAL 39 3.744 12.067 0.210 328 HA VAL 39 HA VAL 39 2.380 9.776 -0.810 329 HB VAL 39 HB VAL 39 4.216 9.647 -2.449 330 HG11 VAL 39 1HG1 VAL 39 2.236 11.395 -2.426 331 HG12 VAL 39 2HG1 VAL 39 3.484 11.435 -3.672 332 HG13 VAL 39 3HG1 VAL 39 3.567 12.546 -2.305 333 HG21 VAL 39 3HG2 VAL 39 5.770 11.798 -2.264 334 HG22 VAL 39 1HG2 VAL 39 6.201 10.259 -1.518 335 HG23 VAL 39 2HG2 VAL 39 5.479 11.539 -0.544 336 H GLU 40 H GLU 40 5.369 10.286 1.004 337 HA GLU 40 HA GLU 40 6.455 7.740 0.864 338 HB2 GLU 40 2HB GLU 40 6.502 9.606 3.242 339 HB3 GLU 40 1HB GLU 40 7.612 8.273 2.953 340 HG2 GLU 40 2HG GLU 40 8.503 9.379 1.007 341 HG3 GLU 40 1HG GLU 40 7.317 10.675 1.164 342 H GLY 41 H GLY 41 3.700 8.871 2.648 343 HA2 GLY 41 2HA GLY 41 3.592 6.650 4.473 344 HA3 GLY 41 1HA GLY 41 2.331 7.850 4.206 345 H VAL 42 H VAL 42 2.190 7.438 1.365 346 HA VAL 42 HA VAL 42 0.383 5.204 1.362 347 HB VAL 42 HB VAL 42 1.240 7.084 -0.837 348 HG11 VAL 42 1HG1 VAL 42 0.509 5.338 -2.106 349 HG12 VAL 42 2HG1 VAL 42 -1.035 6.126 -1.786 350 HG13 VAL 42 3HG1 VAL 42 -0.550 4.717 -0.843 351 HG21 VAL 42 3HG2 VAL 42 -0.055 8.473 0.360 352 HG22 VAL 42 1HG2 VAL 42 -0.825 7.158 1.247 353 HG23 VAL 42 2HG2 VAL 42 -1.384 7.575 -0.373 354 H TRP 43 H TRP 43 3.476 5.992 -0.197 355 HA TRP 43 HA TRP 43 3.613 3.628 -1.736 356 HB2 TRP 43 2HB TRP 43 5.660 5.656 -0.853 357 HB3 TRP 43 1HB TRP 43 6.159 4.219 -1.740 358 HD1 TRP 43 HD TRP 43 4.092 7.440 -2.187 359 HE1 TRP 43 1HE TRP 43 3.844 7.908 -4.697 360 HE3 TRP 43 3HE TRP 43 6.134 3.125 -4.030 361 HZ2 TRP 43 2HZ TRP 43 4.421 6.629 -7.137 362 HZ3 TRP 43 3HZ TRP 43 6.230 2.826 -6.473 363 HH2 TRP 43 HH TRP 43 5.393 4.545 -7.989 364 H THR 44 H THR 44 4.590 4.388 1.552 365 HA THR 44 HA THR 44 6.114 1.999 1.938 366 HB THR 44 HB THR 44 6.528 3.888 3.401 367 HG1 THR 44 1HG THR 44 6.305 2.808 5.412 368 HG21 THR 44 3HG2 THR 44 4.076 4.649 3.386 369 HG22 THR 44 1HG2 THR 44 5.021 4.865 4.857 370 HG23 THR 44 2HG2 THR 44 3.878 3.527 4.730 371 H LEU 45 H LEU 45 2.819 2.997 2.841 372 HA LEU 45 HA LEU 45 2.015 0.622 4.062 373 HB2 LEU 45 2HB LEU 45 0.699 2.965 2.885 374 HB3 LEU 45 1HB LEU 45 -0.271 1.507 2.818 375 HD11 LEU 45 1HD1 LEU 45 1.017 0.553 5.788 376 HD12 LEU 45 2HD1 LEU 45 -0.449 0.151 4.892 377 HD13 LEU 45 3HD1 LEU 45 -0.562 1.011 6.427 378 HD21 LEU 45 3HD2 LEU 45 0.892 4.170 5.155 379 HD22 LEU 45 1HD2 LEU 45 2.084 2.876 5.275 380 HD23 LEU 45 2HD2 LEU 45 0.903 3.109 6.564 381 H LYS 46 H LYS 46 2.252 1.537 0.698 382 HA LYS 46 HA LYS 46 0.815 -0.612 -0.426 383 HB2 LYS 46 2HB LYS 46 1.393 1.378 -1.724 384 HB3 LYS 46 1HB LYS 46 3.105 1.008 -1.564 385 HG2 LYS 46 2HG LYS 46 1.985 -1.291 -2.661 386 HG3 LYS 46 1HG LYS 46 1.183 0.047 -3.486 387 HD2 LYS 46 2HD LYS 46 2.998 -0.002 -4.819 388 HD3 LYS 46 1HD LYS 46 3.757 0.899 -3.506 389 HE2 LYS 46 2HE LYS 46 4.754 -1.060 -2.620 390 HE3 LYS 46 1HE LYS 46 3.779 -2.105 -3.651 391 HZ1 LYS 46 3HZ LYS 46 5.118 -1.763 -5.418 392 HZ2 LYS 46 1HZ LYS 46 6.272 -1.440 -4.223 393 HZ3 LYS 46 2HZ LYS 46 5.478 -0.164 -5.002 394 H ASP 47 H ASP 47 4.176 -0.193 0.542 395 HA ASP 47 HA ASP 47 5.238 -2.549 -0.525 396 HB2 ASP 47 2HB ASP 47 6.497 -0.613 0.565 397 HB3 ASP 47 1HB ASP 47 6.084 -1.346 2.112 398 H GLU 48 H GLU 48 3.402 -1.920 2.392 399 HA GLU 48 HA GLU 48 3.801 -4.443 3.623 400 HB2 GLU 48 2HB GLU 48 2.354 -2.052 4.180 401 HB3 GLU 48 1HB GLU 48 1.226 -3.394 4.297 402 HG2 GLU 48 2HG GLU 48 2.561 -4.472 5.948 403 HG3 GLU 48 1HG GLU 48 3.875 -3.321 5.713 404 H ILE 49 H ILE 49 1.415 -3.168 1.375 405 HA ILE 49 HA ILE 49 -0.395 -5.306 1.315 406 HB ILE 49 HB ILE 49 0.378 -3.612 -1.061 407 HG12 ILE 49 2HG1 ILE 49 -0.026 -2.084 0.752 408 HG13 ILE 49 1HG1 ILE 49 -1.449 -2.079 -0.280 409 HG21 ILE 49 1HG2 ILE 49 -1.590 -4.234 -2.025 410 HG22 ILE 49 2HG2 ILE 49 -2.393 -4.494 -0.477 411 HG23 ILE 49 3HG2 ILE 49 -1.252 -5.690 -1.089 412 HD11 ILE 49 3HD1 ILE 49 -2.102 -2.065 2.035 413 HD12 ILE 49 1HD1 ILE 49 -1.148 -3.516 2.344 414 HD13 ILE 49 2HD1 ILE 49 -2.565 -3.598 1.298 415 H LYS 50 H LYS 50 2.750 -4.891 -0.146 416 HA LYS 50 HA LYS 50 2.465 -7.228 -1.842 417 HB2 LYS 50 2HB LYS 50 3.844 -4.979 -2.219 418 HB3 LYS 50 1HB LYS 50 5.100 -5.910 -1.416 419 HG2 LYS 50 2HG LYS 50 4.854 -7.673 -3.108 420 HG3 LYS 50 1HG LYS 50 3.634 -6.694 -3.926 421 HD2 LYS 50 2HD LYS 50 5.303 -4.911 -4.240 422 HD3 LYS 50 1HD LYS 50 6.518 -5.932 -3.466 423 HE2 LYS 50 2HE LYS 50 6.718 -7.298 -5.270 424 HE3 LYS 50 1HE LYS 50 5.030 -7.102 -5.742 425 HZ1 LYS 50 3HZ LYS 50 5.479 -5.178 -6.882 426 HZ2 LYS 50 1HZ LYS 50 6.901 -6.048 -7.166 427 HZ3 LYS 50 2HZ LYS 50 6.875 -4.827 -5.995 428 H THR 51 H THR 51 3.892 -6.351 1.223 429 HA THR 51 HA THR 51 5.437 -8.777 1.428 430 HB THR 51 HB THR 51 4.845 -7.000 3.765 431 HG1 THR 51 1HG THR 51 6.551 -6.395 1.588 432 HG21 THR 51 3HG2 THR 51 7.141 -7.426 4.353 433 HG22 THR 51 1HG2 THR 51 7.379 -8.350 2.869 434 HG23 THR 51 2HG2 THR 51 6.278 -8.945 4.114 435 H PHE 52 H PHE 52 2.390 -7.540 2.680 436 HA PHE 52 HA PHE 52 1.979 -9.912 4.284 437 HB2 PHE 52 2HB PHE 52 0.557 -8.651 5.474 438 HB3 PHE 52 1HB PHE 52 1.171 -7.300 4.545 439 HD1 PHE 52 1HD PHE 52 -1.572 -9.716 4.846 440 HD2 PHE 52 2HD PHE 52 -0.182 -6.177 2.958 441 HE1 PHE 52 1HE PHE 52 -3.835 -9.293 4.001 442 HE2 PHE 52 2HE PHE 52 -2.447 -5.734 2.095 443 HZ PHE 52 HZ PHE 52 -4.282 -7.303 2.624 444 H THR 53 H THR 53 1.811 -9.432 1.145 445 HA THR 53 HA THR 53 -0.748 -10.644 0.581 446 HB THR 53 HB THR 53 1.429 -9.417 -0.987 447 HG1 THR 53 1HG THR 53 -1.391 -9.470 -1.053 448 HG21 THR 53 3HG2 THR 53 0.521 -10.346 -3.121 449 HG22 THR 53 1HG2 THR 53 -0.266 -11.602 -2.166 450 HG23 THR 53 2HG2 THR 53 1.493 -11.470 -2.173 451 H VAL 54 H VAL 54 2.606 -11.551 -0.235 452 HA VAL 54 HA VAL 54 1.962 -14.242 -0.815 453 HB VAL 54 HB VAL 54 4.448 -14.612 -0.661 454 HG11 VAL 54 1HG1 VAL 54 3.879 -12.229 -2.370 455 HG12 VAL 54 2HG1 VAL 54 3.085 -13.771 -2.686 456 HG13 VAL 54 3HG1 VAL 54 4.839 -13.660 -2.734 457 HG21 VAL 54 3HG2 VAL 54 4.476 -12.462 0.962 458 HG22 VAL 54 1HG2 VAL 54 4.911 -11.706 -0.567 459 HG23 VAL 54 2HG2 VAL 54 5.879 -13.035 0.068 460 H THR 55 H THR 55 2.293 -16.118 0.366 461 HA THR 55 HA THR 55 3.154 -15.919 3.137 462 HB THR 55 HB THR 55 0.492 -17.189 2.517 463 HG1 THR 55 1HG THR 55 0.081 -15.086 2.144 464 HG21 THR 55 3HG2 THR 55 0.204 -16.579 5.009 465 HG22 THR 55 1HG2 THR 55 1.963 -16.520 5.022 466 HG23 THR 55 2HG2 THR 55 1.139 -18.006 4.564 467 H GLU 56 H GLU 56 3.281 -18.108 4.164 468 HA GLU 56 HA GLU 56 4.229 -20.036 2.171 469 HB2 GLU 56 2HB GLU 56 5.422 -19.109 4.443 470 HB3 GLU 56 1HB GLU 56 4.705 -20.614 5.012 471 HG2 GLU 56 2HG GLU 56 6.203 -20.721 2.466 472 HG3 GLU 56 1HG GLU 56 7.142 -20.470 3.934 Start of MODEL 16 1 H1 THR 1 1HT THR 1 0.844 28.325 -13.559 2 H2 THR 1 2HT THR 1 2.354 27.919 -12.851 3 H3 THR 1 3HT THR 1 1.509 26.764 -13.790 4 HA THR 1 HA THR 1 1.899 27.876 -15.745 5 HB THR 1 HB THR 1 3.190 30.146 -15.510 6 HG1 THR 1 1HG THR 1 3.310 29.881 -13.171 7 HG21 THR 1 3HG2 THR 1 0.974 30.037 -16.473 8 HG22 THR 1 1HG2 THR 1 1.113 31.421 -15.390 9 HG23 THR 1 2HG2 THR 1 0.258 29.965 -14.868 10 H THR 2 H THR 2 3.827 27.700 -16.910 11 HA THR 2 HA THR 2 5.934 26.962 -17.345 12 HB THR 2 HB THR 2 6.583 28.164 -14.646 13 HG1 THR 2 1HG THR 2 6.738 29.347 -17.217 14 HG21 THR 2 3HG2 THR 2 8.815 28.561 -15.699 15 HG22 THR 2 1HG2 THR 2 8.324 27.463 -16.989 16 HG23 THR 2 2HG2 THR 2 8.445 26.877 -15.329 17 H TYR 3 H TYR 3 7.613 25.399 -16.671 18 HA TYR 3 HA TYR 3 6.488 23.061 -15.632 19 HB2 TYR 3 2HB TYR 3 9.427 23.755 -15.794 20 HB3 TYR 3 1HB TYR 3 8.742 22.137 -15.685 21 HD1 TYR 3 2HD TYR 3 7.558 21.160 -17.611 22 HD2 TYR 3 1HD TYR 3 9.465 24.954 -17.874 23 HE1 TYR 3 2HE TYR 3 7.452 21.037 -20.064 24 HE2 TYR 3 1HE TYR 3 9.363 24.841 -20.328 25 HH TYR 3 HH TYR 3 9.120 22.408 -22.050 26 H LYS 4 H LYS 4 5.849 22.718 -13.615 27 HA LYS 4 HA LYS 4 7.248 24.048 -11.414 28 HB2 LYS 4 2HB LYS 4 5.310 23.513 -10.062 29 HB3 LYS 4 1HB LYS 4 4.790 24.279 -11.557 30 HG2 LYS 4 2HG LYS 4 4.791 21.541 -12.097 31 HG3 LYS 4 1HG LYS 4 4.105 21.703 -10.480 32 HD2 LYS 4 2HD LYS 4 2.206 21.994 -11.710 33 HD3 LYS 4 1HD LYS 4 2.764 23.668 -11.661 34 HE2 LYS 4 2HE LYS 4 3.277 23.699 -13.859 35 HE3 LYS 4 1HE LYS 4 3.841 22.029 -13.858 36 HZ1 LYS 4 3HZ LYS 4 1.956 21.690 -15.002 37 HZ2 LYS 4 1HZ LYS 4 1.205 23.091 -14.423 38 HZ3 LYS 4 2HZ LYS 4 1.223 21.688 -13.479 39 H LEU 5 H LEU 5 7.092 22.598 -9.299 40 HA LEU 5 HA LEU 5 8.278 19.993 -9.984 41 HB2 LEU 5 2HB LEU 5 10.006 20.379 -8.617 42 HB3 LEU 5 1HB LEU 5 9.547 22.062 -8.775 43 HG LEU 5 HG LEU 5 8.087 21.632 -6.685 44 HD11 LEU 5 1HD1 LEU 5 9.072 19.063 -7.066 45 HD12 LEU 5 2HD1 LEU 5 8.195 19.671 -5.661 46 HD13 LEU 5 3HD1 LEU 5 9.958 19.690 -5.675 47 HD21 LEU 5 3HD2 LEU 5 11.025 22.007 -6.887 48 HD22 LEU 5 1HD2 LEU 5 10.344 21.729 -5.288 49 HD23 LEU 5 2HD2 LEU 5 9.787 23.088 -6.264 50 H ILE 6 H ILE 6 5.867 21.651 -8.157 51 HA ILE 6 HA ILE 6 5.332 20.012 -6.042 52 HB ILE 6 HB ILE 6 4.070 22.025 -6.364 53 HG12 ILE 6 2HG1 ILE 6 1.860 21.276 -5.812 54 HG13 ILE 6 1HG1 ILE 6 2.099 19.755 -6.647 55 HG21 ILE 6 1HG2 ILE 6 3.826 22.365 -8.623 56 HG22 ILE 6 2HG2 ILE 6 2.186 21.920 -8.151 57 HG23 ILE 6 3HG2 ILE 6 3.238 20.728 -8.916 58 HD11 ILE 6 3HD1 ILE 6 2.974 18.805 -4.845 59 HD12 ILE 6 1HD1 ILE 6 2.405 20.209 -3.954 60 HD13 ILE 6 2HD1 ILE 6 4.059 20.165 -4.559 61 H LEU 7 H LEU 7 4.581 18.020 -5.721 62 HA LEU 7 HA LEU 7 3.734 16.469 -8.074 63 HB2 LEU 7 2HB LEU 7 4.757 15.342 -5.474 64 HB3 LEU 7 1HB LEU 7 4.572 14.512 -7.006 65 HG LEU 7 HG LEU 7 6.419 16.822 -7.004 66 HD11 LEU 7 1HD1 LEU 7 8.241 15.303 -6.121 67 HD12 LEU 7 2HD1 LEU 7 6.950 14.289 -5.476 68 HD13 LEU 7 3HD1 LEU 7 7.119 15.957 -4.927 69 HD21 LEU 7 3HD2 LEU 7 6.509 15.784 -9.019 70 HD22 LEU 7 1HD2 LEU 7 6.081 14.208 -8.354 71 HD23 LEU 7 2HD2 LEU 7 7.725 14.821 -8.182 72 H ASN 8 H ASN 8 2.666 14.277 -6.619 73 HA ASN 8 HA ASN 8 0.568 15.340 -4.922 74 HB2 ASN 8 2HB ASN 8 0.123 14.503 -7.733 75 HB3 ASN 8 1HB ASN 8 -1.053 13.934 -6.545 76 HD21 ASN 8 1HD2 ASN 8 -0.096 16.483 -8.512 77 HD22 ASN 8 2HD2 ASN 8 -1.150 17.699 -7.884 78 H LEU 9 H LEU 9 -0.847 13.609 -4.077 79 HA LEU 9 HA LEU 9 0.759 11.301 -3.393 80 HB2 LEU 9 2HB LEU 9 -1.207 10.798 -1.881 81 HB3 LEU 9 1HB LEU 9 -0.296 12.256 -1.540 82 HG LEU 9 HG LEU 9 -2.640 12.609 -3.298 83 HD11 LEU 9 1HD1 LEU 9 -3.965 11.363 -1.984 84 HD12 LEU 9 2HD1 LEU 9 -3.880 12.757 -0.906 85 HD13 LEU 9 3HD1 LEU 9 -2.821 11.371 -0.643 86 HD21 LEU 9 3HD2 LEU 9 -1.903 14.663 -2.761 87 HD22 LEU 9 1HD2 LEU 9 -1.070 14.097 -1.314 88 HD23 LEU 9 2HD2 LEU 9 -2.806 14.407 -1.267 89 H LYS 10 H LYS 10 -2.074 12.067 -5.277 90 HA LYS 10 HA LYS 10 -3.444 9.787 -5.611 91 HB2 LYS 10 2HB LYS 10 -2.915 12.099 -7.227 92 HB3 LYS 10 1HB LYS 10 -2.989 10.675 -8.257 93 HG2 LYS 10 2HG LYS 10 -5.185 11.214 -8.256 94 HG3 LYS 10 1HG LYS 10 -5.163 10.212 -6.803 95 HD2 LYS 10 2HD LYS 10 -6.211 12.024 -5.926 96 HD3 LYS 10 1HD LYS 10 -4.549 12.569 -5.701 97 HE2 LYS 10 2HE LYS 10 -5.678 14.388 -6.679 98 HE3 LYS 10 1HE LYS 10 -4.750 13.654 -7.985 99 HZ1 LYS 10 3HZ LYS 10 -7.438 12.628 -7.668 100 HZ2 LYS 10 1HZ LYS 10 -6.600 13.056 -9.073 101 HZ3 LYS 10 2HZ LYS 10 -7.352 14.250 -8.140 102 H GLN 11 H GLN 11 -0.292 10.458 -7.092 103 HA GLN 11 HA GLN 11 -0.036 8.230 -8.714 104 HB2 GLN 11 2HB GLN 11 2.242 9.299 -7.054 105 HB3 GLN 11 1HB GLN 11 2.314 8.574 -8.653 106 HG2 GLN 11 2HG GLN 11 0.620 10.900 -8.676 107 HG3 GLN 11 1HG GLN 11 2.211 11.286 -8.015 108 HE21 GLN 11 1HE2 GLN 11 4.075 10.494 -9.312 109 HE22 GLN 11 2HE2 GLN 11 3.949 10.581 -11.032 110 H ALA 12 H ALA 12 0.642 8.570 -5.267 111 HA ALA 12 HA ALA 12 1.491 5.857 -4.926 112 HB1 ALA 12 1HB ALA 12 1.927 6.419 -2.748 113 HB2 ALA 12 2HB ALA 12 0.548 7.515 -2.640 114 HB3 ALA 12 3HB ALA 12 2.003 8.008 -3.509 115 H LYS 13 H LYS 13 -1.542 7.591 -4.702 116 HA LYS 13 HA LYS 13 -3.001 5.770 -3.171 117 HB2 LYS 13 2HB LYS 13 -4.485 7.417 -3.433 118 HB3 LYS 13 1HB LYS 13 -3.529 8.116 -4.730 119 HG2 LYS 13 2HG LYS 13 -5.340 5.825 -5.346 120 HG3 LYS 13 1HG LYS 13 -6.024 7.431 -5.103 121 HD2 LYS 13 2HD LYS 13 -4.510 8.321 -6.817 122 HD3 LYS 13 1HD LYS 13 -3.869 6.701 -7.079 123 HE2 LYS 13 2HE LYS 13 -6.794 6.913 -7.243 124 HE3 LYS 13 1HE LYS 13 -5.916 7.802 -8.488 125 HZ1 LYS 13 3HZ LYS 13 -5.155 5.912 -9.431 126 HZ2 LYS 13 1HZ LYS 13 -6.544 5.252 -8.728 127 HZ3 LYS 13 2HZ LYS 13 -5.044 5.071 -7.969 128 H GLU 14 H GLU 14 -2.146 5.831 -6.564 129 HA GLU 14 HA GLU 14 -3.754 3.541 -7.249 130 HB2 GLU 14 2HB GLU 14 -3.267 5.249 -8.934 131 HB3 GLU 14 1HB GLU 14 -1.544 4.942 -8.770 132 HG2 GLU 14 2HG GLU 14 -2.052 3.764 -10.668 133 HG3 GLU 14 1HG GLU 14 -2.178 2.515 -9.430 134 H GLU 15 H GLU 15 -0.476 4.206 -6.253 135 HA GLU 15 HA GLU 15 0.857 1.891 -6.965 136 HB2 GLU 15 2HB GLU 15 1.137 3.954 -4.886 137 HB3 GLU 15 1HB GLU 15 1.866 2.410 -4.470 138 HG2 GLU 15 2HG GLU 15 2.442 4.066 -6.914 139 HG3 GLU 15 1HG GLU 15 3.482 3.856 -5.502 140 H ALA 16 H ALA 16 -1.042 2.524 -4.034 141 HA ALA 16 HA ALA 16 -0.781 -0.145 -3.036 142 HB1 ALA 16 1HB ALA 16 -2.139 0.553 -1.241 143 HB2 ALA 16 2HB ALA 16 -2.844 1.867 -2.183 144 HB3 ALA 16 3HB ALA 16 -1.159 1.956 -1.668 145 H ILE 17 H ILE 17 -3.343 1.680 -4.677 146 HA ILE 17 HA ILE 17 -5.376 -0.204 -4.557 147 HB ILE 17 HB ILE 17 -4.711 1.947 -6.545 148 HG12 ILE 17 2HG1 ILE 17 -7.005 1.527 -4.623 149 HG13 ILE 17 1HG1 ILE 17 -5.623 2.588 -4.372 150 HG21 ILE 17 1HG2 ILE 17 -7.080 0.086 -6.774 151 HG22 ILE 17 2HG2 ILE 17 -5.737 0.217 -7.910 152 HG23 ILE 17 3HG2 ILE 17 -6.847 1.569 -7.697 153 HD11 ILE 17 3HD1 ILE 17 -7.452 3.938 -5.027 154 HD12 ILE 17 1HD1 ILE 17 -7.822 2.889 -6.394 155 HD13 ILE 17 2HD1 ILE 17 -6.348 3.858 -6.400 156 H LYS 18 H LYS 18 -2.795 0.152 -6.977 157 HA LYS 18 HA LYS 18 -3.617 -1.962 -8.645 158 HB2 LYS 18 2HB LYS 18 -1.878 -0.097 -9.074 159 HB3 LYS 18 1HB LYS 18 -0.740 -1.175 -8.278 160 HG2 LYS 18 2HG LYS 18 -0.553 -2.480 -10.074 161 HG3 LYS 18 1HG LYS 18 -2.296 -2.505 -10.344 162 HD2 LYS 18 2HD LYS 18 -2.148 -0.970 -11.956 163 HD3 LYS 18 1HD LYS 18 -1.172 0.094 -10.942 164 HE2 LYS 18 2HE LYS 18 0.735 -0.540 -11.928 165 HE3 LYS 18 1HE LYS 18 0.285 -2.245 -11.900 166 HZ1 LYS 18 3HZ LYS 18 0.366 -1.765 -14.139 167 HZ2 LYS 18 1HZ LYS 18 -0.287 -0.214 -13.956 168 HZ3 LYS 18 2HZ LYS 18 -1.282 -1.574 -13.809 169 H GLU 19 H GLU 19 -1.272 -1.860 -5.977 170 HA GLU 19 HA GLU 19 -0.535 -4.586 -6.139 171 HB2 GLU 19 2HB GLU 19 -0.420 -2.795 -3.710 172 HB3 GLU 19 1HB GLU 19 0.555 -4.227 -4.019 173 HG2 GLU 19 2HG GLU 19 0.700 -2.056 -6.019 174 HG3 GLU 19 1HG GLU 19 1.426 -1.743 -4.443 175 H LEU 20 H LEU 20 -3.020 -2.860 -4.352 176 HA LEU 20 HA LEU 20 -3.764 -4.978 -2.640 177 HB2 LEU 20 2HB LEU 20 -4.759 -2.323 -3.344 178 HB3 LEU 20 1HB LEU 20 -6.044 -3.451 -2.961 179 HG LEU 20 HG LEU 20 -4.739 -3.948 -0.817 180 HD11 LEU 20 1HD1 LEU 20 -2.780 -2.497 -1.936 181 HD12 LEU 20 2HD1 LEU 20 -2.968 -2.754 -0.199 182 HD13 LEU 20 3HD1 LEU 20 -3.574 -1.270 -0.943 183 HD21 LEU 20 3HD2 LEU 20 -5.670 -1.123 -0.852 184 HD22 LEU 20 1HD2 LEU 20 -5.986 -2.399 0.324 185 HD23 LEU 20 2HD2 LEU 20 -6.814 -2.410 -1.233 186 H VAL 21 H VAL 21 -5.056 -3.899 -5.765 187 HA VAL 21 HA VAL 21 -7.153 -5.799 -5.866 188 HB VAL 21 HB VAL 21 -5.803 -4.481 -8.224 189 HG11 VAL 21 1HG1 VAL 21 -7.802 -4.887 -9.413 190 HG12 VAL 21 2HG1 VAL 21 -8.669 -5.352 -7.950 191 HG13 VAL 21 3HG1 VAL 21 -7.410 -6.402 -8.600 192 HG21 VAL 21 3HG2 VAL 21 -8.284 -3.298 -7.209 193 HG22 VAL 21 1HG2 VAL 21 -6.804 -2.524 -7.774 194 HG23 VAL 21 2HG2 VAL 21 -6.906 -3.131 -6.122 195 H ASP 22 H ASP 22 -3.788 -5.899 -6.778 196 HA ASP 22 HA ASP 22 -3.972 -8.248 -8.384 197 HB2 ASP 22 2HB ASP 22 -1.973 -6.333 -7.706 198 HB3 ASP 22 1HB ASP 22 -1.328 -7.938 -7.375 199 H ALA 23 H ALA 23 -3.656 -7.707 -4.959 200 HA ALA 23 HA ALA 23 -3.516 -10.623 -4.594 201 HB1 ALA 23 1HB ALA 23 -1.757 -10.572 -3.056 202 HB2 ALA 23 2HB ALA 23 -1.874 -8.825 -2.837 203 HB3 ALA 23 3HB ALA 23 -1.233 -9.487 -4.344 204 H GLY 24 H GLY 24 -4.505 -11.446 -2.747 205 HA2 GLY 24 2HA GLY 24 -6.777 -10.231 -1.782 206 HA3 GLY 24 1HA GLY 24 -5.894 -11.489 -0.906 207 H THR 25 H THR 25 -6.990 -8.357 -0.771 208 HA THR 25 HA THR 25 -5.211 -7.746 1.489 209 HB THR 25 HB THR 25 -4.462 -6.639 -0.611 210 HG1 THR 25 1HG THR 25 -3.853 -5.037 0.600 211 HG21 THR 25 3HG2 THR 25 -5.766 -5.389 -1.909 212 HG22 THR 25 1HG2 THR 25 -6.550 -4.612 -0.535 213 HG23 THR 25 2HG2 THR 25 -7.109 -6.187 -1.096 214 H ALA 26 H ALA 26 -6.278 -5.107 1.781 215 HA ALA 26 HA ALA 26 -9.120 -5.518 2.351 216 HB1 ALA 26 1HB ALA 26 -8.976 -5.025 4.570 217 HB2 ALA 26 2HB ALA 26 -7.550 -4.014 4.371 218 HB3 ALA 26 3HB ALA 26 -7.391 -5.767 4.365 219 H GLU 27 H GLU 27 -9.909 -4.131 0.898 220 HA GLU 27 HA GLU 27 -8.973 -1.967 -0.335 221 HB2 GLU 27 2HB GLU 27 -11.365 -0.983 -0.124 222 HB3 GLU 27 1HB GLU 27 -11.141 -2.530 -0.927 223 HG2 GLU 27 2HG GLU 27 -11.659 -2.636 1.972 224 HG3 GLU 27 1HG GLU 27 -12.988 -2.076 0.954 225 H LYS 28 H LYS 28 -9.981 -1.940 3.024 226 HA LYS 28 HA LYS 28 -10.169 0.752 3.540 227 HB2 LYS 28 2HB LYS 28 -8.744 -1.084 5.446 228 HB3 LYS 28 1HB LYS 28 -9.780 0.288 5.812 229 HG2 LYS 28 2HG LYS 28 -10.607 -2.417 4.788 230 HG3 LYS 28 1HG LYS 28 -10.989 -1.679 6.339 231 HD2 LYS 28 2HD LYS 28 -12.408 -0.060 5.312 232 HD3 LYS 28 1HD LYS 28 -11.873 -0.534 3.702 233 HE2 LYS 28 2HE LYS 28 -13.027 -2.569 3.789 234 HE3 LYS 28 1HE LYS 28 -13.217 -2.485 5.537 235 HZ1 LYS 28 3HZ LYS 28 -14.426 -0.316 4.027 236 HZ2 LYS 28 1HZ LYS 28 -15.019 -1.174 5.371 237 HZ3 LYS 28 2HZ LYS 28 -15.137 -1.838 3.817 238 H TYR 29 H TYR 29 -7.321 -1.063 2.768 239 HA TYR 29 HA TYR 29 -5.423 0.748 3.858 240 HB2 TYR 29 2HB TYR 29 -4.957 -1.165 1.559 241 HB3 TYR 29 1HB TYR 29 -3.744 -0.447 2.621 242 HD1 TYR 29 1HD TYR 29 -4.693 -0.829 5.279 243 HD2 TYR 29 2HD TYR 29 -5.075 -3.433 1.941 244 HE1 TYR 29 1HE TYR 29 -4.862 -2.744 6.800 245 HE2 TYR 29 2HE TYR 29 -5.246 -5.358 3.452 246 HH TYR 29 HH TYR 29 -4.315 -5.391 6.499 247 H PHE 30 H PHE 30 -6.464 0.273 0.442 248 HA PHE 30 HA PHE 30 -4.948 2.432 -0.516 249 HB2 PHE 30 2HB PHE 30 -6.282 2.335 -2.546 250 HB3 PHE 30 1HB PHE 30 -5.827 0.720 -2.023 251 HD1 PHE 30 1HD PHE 30 -8.666 3.098 -1.424 252 HD2 PHE 30 2HD PHE 30 -7.415 -0.869 -2.320 253 HE1 PHE 30 1HE PHE 30 -11.016 2.394 -1.561 254 HE2 PHE 30 2HE PHE 30 -9.767 -1.581 -2.457 255 HZ PHE 30 HZ PHE 30 -11.571 0.052 -2.079 256 H LYS 31 H LYS 31 -7.980 2.332 1.126 257 HA LYS 31 HA LYS 31 -8.761 5.004 0.353 258 HB2 LYS 31 2HB LYS 31 -10.002 2.776 1.644 259 HB3 LYS 31 1HB LYS 31 -10.130 4.169 2.708 260 HG2 LYS 31 2HG LYS 31 -11.325 5.413 1.116 261 HG3 LYS 31 1HG LYS 31 -10.902 4.302 -0.187 262 HD2 LYS 31 2HD LYS 31 -12.156 2.627 1.541 263 HD3 LYS 31 1HD LYS 31 -13.034 4.131 1.830 264 HE2 LYS 31 2HE LYS 31 -12.931 4.116 -0.874 265 HE3 LYS 31 1HE LYS 31 -12.984 2.385 -0.540 266 HZ1 LYS 31 3HZ LYS 31 -15.203 3.111 -0.748 267 HZ2 LYS 31 1HZ LYS 31 -14.957 4.446 0.263 268 HZ3 LYS 31 2HZ LYS 31 -14.950 2.882 0.909 269 H LEU 32 H LEU 32 -6.923 3.471 2.840 270 HA LEU 32 HA LEU 32 -6.962 5.728 4.633 271 HB2 LEU 32 2HB LEU 32 -6.106 2.970 4.689 272 HB3 LEU 32 1HB LEU 32 -4.846 4.022 5.327 273 HG LEU 32 HG LEU 32 -7.701 4.005 6.312 274 HD11 LEU 32 1HD1 LEU 32 -6.002 1.958 6.672 275 HD12 LEU 32 2HD1 LEU 32 -7.185 2.466 7.874 276 HD13 LEU 32 3HD1 LEU 32 -5.511 2.998 8.009 277 HD21 LEU 32 3HD2 LEU 32 -6.916 5.379 8.091 278 HD22 LEU 32 1HD2 LEU 32 -6.376 6.114 6.581 279 HD23 LEU 32 2HD2 LEU 32 -5.240 5.197 7.572 280 H ILE 33 H ILE 33 -4.703 4.270 2.325 281 HA ILE 33 HA ILE 33 -2.557 6.023 2.905 282 HB ILE 33 HB ILE 33 -1.682 5.303 0.643 283 HG12 ILE 33 2HG1 ILE 33 -3.279 2.963 0.390 284 HG13 ILE 33 1HG1 ILE 33 -4.365 4.347 0.407 285 HG21 ILE 33 1HG2 ILE 33 -2.284 2.858 2.198 286 HG22 ILE 33 2HG2 ILE 33 -1.469 4.177 3.036 287 HG23 ILE 33 3HG2 ILE 33 -0.745 3.468 1.594 288 HD11 ILE 33 3HD1 ILE 33 -2.793 5.345 -1.349 289 HD12 ILE 33 1HD1 ILE 33 -3.871 4.037 -1.839 290 HD13 ILE 33 2HD1 ILE 33 -2.168 3.707 -1.516 291 H ALA 34 H ALA 34 -5.078 6.066 0.415 292 HA ALA 34 HA ALA 34 -4.177 8.292 -1.008 293 HB1 ALA 34 1HB ALA 34 -6.146 8.175 -2.158 294 HB2 ALA 34 2HB ALA 34 -7.101 7.850 -0.712 295 HB3 ALA 34 3HB ALA 34 -6.131 6.565 -1.435 296 H ASN 35 H ASN 35 -5.711 8.058 2.080 297 HA ASN 35 HA ASN 35 -6.439 10.882 2.094 298 HB2 ASN 35 2HB ASN 35 -8.065 9.329 3.009 299 HB3 ASN 35 1HB ASN 35 -6.869 8.696 4.143 300 HD21 ASN 35 1HD2 ASN 35 -9.290 10.975 3.619 301 HD22 ASN 35 2HD2 ASN 35 -9.058 11.922 5.046 302 H ALA 36 H ALA 36 -3.776 8.962 2.952 303 HA ALA 36 HA ALA 36 -2.820 10.072 5.297 304 HB1 ALA 36 1HB ALA 36 -1.485 8.895 2.910 305 HB2 ALA 36 2HB ALA 36 -1.556 8.303 4.570 306 HB3 ALA 36 3HB ALA 36 -0.507 9.659 4.162 307 H LYS 37 H LYS 37 -3.031 11.521 2.154 308 HA LYS 37 HA LYS 37 -2.599 13.629 1.415 309 HB2 LYS 37 2HB LYS 37 -3.120 13.931 4.175 310 HB3 LYS 37 1HB LYS 37 -1.702 14.921 3.826 311 HG2 LYS 37 2HG LYS 37 -2.880 16.415 2.641 312 HG3 LYS 37 1HG LYS 37 -3.888 15.175 1.882 313 HD2 LYS 37 2HD LYS 37 -5.382 15.133 3.675 314 HD3 LYS 37 1HD LYS 37 -4.228 15.873 4.777 315 HE2 LYS 37 2HE LYS 37 -4.557 17.741 2.745 316 HE3 LYS 37 1HE LYS 37 -6.177 17.103 3.026 317 HZ1 LYS 37 3HZ LYS 37 -5.402 17.476 5.521 318 HZ2 LYS 37 1HZ LYS 37 -6.153 18.694 4.615 319 HZ3 LYS 37 2HZ LYS 37 -4.471 18.681 4.783 320 H THR 38 H THR 38 -0.465 11.510 2.098 321 HA THR 38 HA THR 38 1.802 13.201 1.391 322 HB THR 38 HB THR 38 3.133 11.605 3.045 323 HG1 THR 38 1HG THR 38 1.437 10.446 3.853 324 HG21 THR 38 3HG2 THR 38 3.574 13.505 4.060 325 HG22 THR 38 1HG2 THR 38 1.968 13.525 4.786 326 HG23 THR 38 2HG2 THR 38 2.228 14.260 3.206 327 H VAL 39 H VAL 39 3.616 11.944 0.516 328 HA VAL 39 HA VAL 39 2.609 9.705 -1.034 329 HB VAL 39 HB VAL 39 4.692 9.871 -2.310 330 HG11 VAL 39 1HG1 VAL 39 3.135 12.400 -1.850 331 HG12 VAL 39 2HG1 VAL 39 2.946 11.213 -3.140 332 HG13 VAL 39 3HG1 VAL 39 4.364 12.262 -3.109 333 HG21 VAL 39 3HG2 VAL 39 5.394 11.998 -0.293 334 HG22 VAL 39 1HG2 VAL 39 6.224 11.793 -1.835 335 HG23 VAL 39 2HG2 VAL 39 6.269 10.505 -0.632 336 H GLU 40 H GLU 40 5.292 10.342 1.211 337 HA GLU 40 HA GLU 40 6.440 7.803 1.124 338 HB2 GLU 40 2HB GLU 40 7.338 8.380 3.425 339 HB3 GLU 40 1HB GLU 40 7.724 9.500 2.129 340 HG2 GLU 40 2HG GLU 40 5.757 10.885 2.933 341 HG3 GLU 40 1HG GLU 40 5.750 9.851 4.361 342 H GLY 41 H GLY 41 3.530 8.856 2.683 343 HA2 GLY 41 2HA GLY 41 3.416 6.657 4.547 344 HA3 GLY 41 1HA GLY 41 2.130 7.807 4.205 345 H VAL 42 H VAL 42 1.958 7.456 1.444 346 HA VAL 42 HA VAL 42 0.306 5.137 1.332 347 HB VAL 42 HB VAL 42 1.240 6.970 -0.875 348 HG11 VAL 42 1HG1 VAL 42 -0.599 4.639 -0.828 349 HG12 VAL 42 2HG1 VAL 42 0.504 5.184 -2.089 350 HG13 VAL 42 3HG1 VAL 42 -1.030 6.017 -1.841 351 HG21 VAL 42 3HG2 VAL 42 -0.140 8.457 0.031 352 HG22 VAL 42 1HG2 VAL 42 -0.697 7.291 1.230 353 HG23 VAL 42 2HG2 VAL 42 -1.474 7.369 -0.351 354 H TRP 43 H TRP 43 3.386 6.038 -0.215 355 HA TRP 43 HA TRP 43 3.696 3.639 -1.646 356 HB2 TRP 43 2HB TRP 43 5.603 5.792 -0.760 357 HB3 TRP 43 1HB TRP 43 6.224 4.339 -1.539 358 HD1 TRP 43 HD TRP 43 4.159 7.489 -2.284 359 HE1 TRP 43 1HE TRP 43 3.985 7.773 -4.830 360 HE3 TRP 43 3HE TRP 43 6.191 3.025 -3.752 361 HZ2 TRP 43 2HZ TRP 43 4.609 6.309 -7.154 362 HZ3 TRP 43 3HZ TRP 43 6.347 2.544 -6.161 363 HH2 TRP 43 HH TRP 43 5.577 4.154 -7.824 364 H THR 44 H THR 44 4.406 4.490 1.674 365 HA THR 44 HA THR 44 6.109 2.292 2.244 366 HB THR 44 HB THR 44 5.144 2.733 4.656 367 HG1 THR 44 1HG THR 44 3.426 4.001 4.224 368 HG21 THR 44 3HG2 THR 44 7.359 3.395 4.225 369 HG22 THR 44 1HG2 THR 44 6.534 4.822 4.853 370 HG23 THR 44 2HG2 THR 44 6.844 4.671 3.123 371 H LEU 45 H LEU 45 2.623 2.827 2.719 372 HA LEU 45 HA LEU 45 2.048 0.249 3.696 373 HB2 LEU 45 2HB LEU 45 0.607 2.573 3.243 374 HB3 LEU 45 1HB LEU 45 -0.098 1.435 2.110 375 HD11 LEU 45 1HD1 LEU 45 -0.094 0.800 6.273 376 HD12 LEU 45 2HD1 LEU 45 -0.704 2.357 5.713 377 HD13 LEU 45 3HD1 LEU 45 0.986 1.927 5.452 378 HD21 LEU 45 3HD2 LEU 45 -2.159 2.117 4.052 379 HD22 LEU 45 1HD2 LEU 45 -2.442 0.439 4.513 380 HD23 LEU 45 2HD2 LEU 45 -2.069 0.842 2.837 381 H LYS 46 H LYS 46 2.510 1.532 0.490 382 HA LYS 46 HA LYS 46 1.333 -0.541 -1.005 383 HB2 LYS 46 2HB LYS 46 1.914 1.512 -2.105 384 HB3 LYS 46 1HB LYS 46 3.600 1.351 -1.638 385 HG2 LYS 46 2HG LYS 46 2.710 -0.939 -3.156 386 HG3 LYS 46 1HG LYS 46 2.440 0.567 -4.036 387 HD2 LYS 46 2HD LYS 46 4.597 0.614 -4.572 388 HD3 LYS 46 1HD LYS 46 5.005 0.743 -2.860 389 HE2 LYS 46 2HE LYS 46 4.566 -1.879 -2.969 390 HE3 LYS 46 1HE LYS 46 5.022 -1.622 -4.652 391 HZ1 LYS 46 3HZ LYS 46 6.629 -1.134 -2.221 392 HZ2 LYS 46 1HZ LYS 46 7.024 -0.410 -3.698 393 HZ3 LYS 46 2HZ LYS 46 7.008 -2.095 -3.559 394 H ASP 47 H ASP 47 4.402 -0.213 0.620 395 HA ASP 47 HA ASP 47 5.651 -2.478 -0.588 396 HB2 ASP 47 2HB ASP 47 6.612 -0.434 0.875 397 HB3 ASP 47 1HB ASP 47 6.450 -1.637 2.152 398 H GLU 48 H GLU 48 3.646 -1.898 2.228 399 HA GLU 48 HA GLU 48 3.965 -4.407 3.476 400 HB2 GLU 48 2HB GLU 48 1.741 -2.370 3.537 401 HB3 GLU 48 1HB GLU 48 1.685 -3.852 4.484 402 HG2 GLU 48 2HG GLU 48 3.407 -3.192 5.869 403 HG3 GLU 48 1HG GLU 48 4.048 -2.043 4.695 404 H ILE 49 H ILE 49 1.415 -3.204 1.299 405 HA ILE 49 HA ILE 49 -0.056 -5.562 1.069 406 HB ILE 49 HB ILE 49 -0.976 -3.510 0.236 407 HG12 ILE 49 2HG1 ILE 49 -1.743 -4.182 -1.987 408 HG13 ILE 49 1HG1 ILE 49 -0.415 -5.333 -2.114 409 HG21 ILE 49 1HG2 ILE 49 1.275 -3.491 -1.768 410 HG22 ILE 49 2HG2 ILE 49 1.080 -2.392 -0.402 411 HG23 ILE 49 3HG2 ILE 49 -0.077 -2.359 -1.733 412 HD11 ILE 49 3HD1 ILE 49 -2.993 -5.707 -1.016 413 HD12 ILE 49 1HD1 ILE 49 -1.810 -5.899 0.273 414 HD13 ILE 49 2HD1 ILE 49 -1.687 -6.877 -1.190 415 H LYS 50 H LYS 50 2.953 -4.605 -0.406 416 HA LYS 50 HA LYS 50 2.942 -6.476 -2.535 417 HB2 LYS 50 2HB LYS 50 4.802 -4.542 -1.389 418 HB3 LYS 50 1HB LYS 50 5.609 -5.989 -1.981 419 HG2 LYS 50 2HG LYS 50 3.630 -5.007 -3.856 420 HG3 LYS 50 1HG LYS 50 4.851 -3.793 -3.473 421 HD2 LYS 50 2HD LYS 50 6.620 -5.368 -4.052 422 HD3 LYS 50 1HD LYS 50 5.416 -6.613 -4.389 423 HE2 LYS 50 2HE LYS 50 5.823 -5.827 -6.506 424 HE3 LYS 50 1HE LYS 50 4.462 -4.811 -6.034 425 HZ1 LYS 50 3HZ LYS 50 5.831 -3.180 -6.708 426 HZ2 LYS 50 1HZ LYS 50 7.237 -4.096 -6.490 427 HZ3 LYS 50 2HZ LYS 50 6.504 -3.344 -5.166 428 H THR 51 H THR 51 4.204 -6.605 0.780 429 HA THR 51 HA THR 51 5.051 -9.376 0.299 430 HB THR 51 HB THR 51 5.582 -8.067 2.909 431 HG1 THR 51 1HG THR 51 7.346 -6.936 1.983 432 HG21 THR 51 3HG2 THR 51 7.216 -9.543 3.056 433 HG22 THR 51 1HG2 THR 51 7.830 -9.146 1.450 434 HG23 THR 51 2HG2 THR 51 6.519 -10.316 1.632 435 H PHE 52 H PHE 52 3.191 -7.438 2.627 436 HA PHE 52 HA PHE 52 1.627 -8.013 4.181 437 HB2 PHE 52 2HB PHE 52 0.818 -8.891 1.635 438 HB3 PHE 52 1HB PHE 52 0.392 -10.186 2.751 439 HD1 PHE 52 2HD PHE 52 -0.673 -9.227 5.037 440 HD2 PHE 52 1HD PHE 52 -0.799 -7.325 1.241 441 HE1 PHE 52 2HE PHE 52 -2.663 -7.964 5.744 442 HE2 PHE 52 1HE PHE 52 -2.788 -6.048 1.939 443 HZ PHE 52 HZ PHE 52 -3.719 -6.370 4.189 444 H THR 53 H THR 53 4.175 -9.554 4.210 445 HA THR 53 HA THR 53 3.344 -11.542 6.123 446 HB THR 53 HB THR 53 3.351 -12.578 3.706 447 HG1 THR 53 1HG THR 53 3.195 -14.177 5.038 448 HG21 THR 53 3HG2 THR 53 5.734 -11.674 3.305 449 HG22 THR 53 1HG2 THR 53 5.332 -13.320 2.805 450 HG23 THR 53 2HG2 THR 53 6.237 -13.052 4.294 451 H VAL 54 H VAL 54 5.752 -12.953 6.304 452 HA VAL 54 HA VAL 54 7.873 -12.843 7.132 453 HB VAL 54 HB VAL 54 8.006 -9.986 6.175 454 HG11 VAL 54 1HG1 VAL 54 10.453 -10.631 5.960 455 HG12 VAL 54 2HG1 VAL 54 10.053 -12.054 6.915 456 HG13 VAL 54 3HG1 VAL 54 9.828 -10.444 7.595 457 HG21 VAL 54 3HG2 VAL 54 8.365 -12.558 4.673 458 HG22 VAL 54 1HG2 VAL 54 9.176 -11.078 4.169 459 HG23 VAL 54 2HG2 VAL 54 7.418 -11.140 4.228 460 H THR 55 H THR 55 6.651 -9.519 7.573 461 HA THR 55 HA THR 55 7.465 -9.569 10.348 462 HB THR 55 HB THR 55 5.992 -7.357 8.932 463 HG1 THR 55 1HG THR 55 8.754 -7.946 8.959 464 HG21 THR 55 3HG2 THR 55 7.851 -7.372 11.291 465 HG22 THR 55 1HG2 THR 55 6.127 -6.977 11.287 466 HG23 THR 55 2HG2 THR 55 7.282 -5.917 10.472 467 H GLU 56 H GLU 56 4.419 -8.804 8.654 468 HA GLU 56 HA GLU 56 2.975 -9.927 10.969 469 HB2 GLU 56 2HB GLU 56 2.194 -7.536 9.286 470 HB3 GLU 56 1HB GLU 56 1.195 -8.258 10.544 471 HG2 GLU 56 2HG GLU 56 3.884 -7.537 11.431 472 HG3 GLU 56 1HG GLU 56 2.917 -6.168 10.881 Start of MODEL 17 1 H1 THR 1 1HT THR 1 8.925 31.754 -19.657 2 H2 THR 1 2HT THR 1 7.904 31.531 -18.295 3 H3 THR 1 3HT THR 1 7.271 32.192 -19.747 4 HA THR 1 HA THR 1 6.657 29.900 -19.407 5 HB THR 1 HB THR 1 6.695 30.785 -21.635 6 HG1 THR 1 1HG THR 1 7.141 28.931 -22.773 7 HG21 THR 1 3HG2 THR 1 9.594 30.794 -21.275 8 HG22 THR 1 1HG2 THR 1 8.567 31.804 -22.292 9 HG23 THR 1 2HG2 THR 1 9.053 30.202 -22.846 10 H THR 2 H THR 2 7.236 28.070 -18.450 11 HA THR 2 HA THR 2 9.749 26.803 -18.939 12 HB THR 2 HB THR 2 9.892 26.882 -16.161 13 HG1 THR 2 1HG THR 2 9.302 28.779 -15.512 14 HG21 THR 2 3HG2 THR 2 11.433 28.733 -17.949 15 HG22 THR 2 1HG2 THR 2 11.757 27.003 -17.843 16 HG23 THR 2 2HG2 THR 2 11.933 28.022 -16.415 17 H TYR 3 H TYR 3 9.924 24.714 -17.831 18 HA TYR 3 HA TYR 3 7.255 23.632 -17.230 19 HB2 TYR 3 2HB TYR 3 8.368 22.657 -19.201 20 HB3 TYR 3 1HB TYR 3 9.733 22.186 -18.193 21 HD1 TYR 3 2HD TYR 3 6.043 21.713 -18.490 22 HD2 TYR 3 1HD TYR 3 9.763 20.069 -17.239 23 HE1 TYR 3 2HE TYR 3 4.926 19.580 -17.989 24 HE2 TYR 3 1HE TYR 3 8.655 17.931 -16.736 25 HH TYR 3 HH TYR 3 5.479 17.223 -17.753 26 H LYS 4 H LYS 4 6.835 22.980 -15.230 27 HA LYS 4 HA LYS 4 9.086 22.625 -13.374 28 HB2 LYS 4 2HB LYS 4 7.532 23.120 -11.585 29 HB3 LYS 4 1HB LYS 4 7.437 24.383 -12.803 30 HG2 LYS 4 2HG LYS 4 5.420 23.258 -13.725 31 HG3 LYS 4 1HG LYS 4 5.487 22.132 -12.368 32 HD2 LYS 4 2HD LYS 4 4.227 23.595 -11.249 33 HD3 LYS 4 1HD LYS 4 5.655 24.625 -11.177 34 HE2 LYS 4 2HE LYS 4 4.260 26.110 -12.158 35 HE3 LYS 4 1HE LYS 4 4.777 25.279 -13.618 36 HZ1 LYS 4 3HZ LYS 4 2.805 23.880 -13.460 37 HZ2 LYS 4 1HZ LYS 4 2.382 25.516 -13.554 38 HZ3 LYS 4 2HZ LYS 4 2.307 24.704 -12.073 39 H LEU 5 H LEU 5 8.373 21.104 -11.457 40 HA LEU 5 HA LEU 5 7.559 18.585 -12.712 41 HB2 LEU 5 2HB LEU 5 9.077 17.531 -11.441 42 HB3 LEU 5 1HB LEU 5 9.768 19.127 -11.253 43 HG LEU 5 HG LEU 5 8.325 19.304 -9.131 44 HD11 LEU 5 1HD1 LEU 5 8.436 16.419 -8.777 45 HD12 LEU 5 2HD1 LEU 5 7.320 16.914 -10.050 46 HD13 LEU 5 3HD1 LEU 5 7.137 17.557 -8.418 47 HD21 LEU 5 3HD2 LEU 5 10.514 19.181 -8.573 48 HD22 LEU 5 1HD2 LEU 5 10.808 17.771 -9.590 49 HD23 LEU 5 2HD2 LEU 5 10.042 17.576 -8.014 50 H ILE 6 H ILE 6 5.552 17.938 -12.409 51 HA ILE 6 HA ILE 6 3.933 19.071 -10.308 52 HB ILE 6 HB ILE 6 3.043 18.756 -12.592 53 HG12 ILE 6 2HG1 ILE 6 0.881 17.806 -11.910 54 HG13 ILE 6 1HG1 ILE 6 1.632 17.138 -10.464 55 HG21 ILE 6 1HG2 ILE 6 2.596 15.873 -12.218 56 HG22 ILE 6 2HG2 ILE 6 4.259 16.344 -12.564 57 HG23 ILE 6 3HG2 ILE 6 2.967 16.787 -13.680 58 HD11 ILE 6 3HD1 ILE 6 0.447 19.656 -10.790 59 HD12 ILE 6 1HD1 ILE 6 2.180 19.934 -10.614 60 HD13 ILE 6 2HD1 ILE 6 1.300 19.032 -9.379 61 H LEU 7 H LEU 7 3.852 18.228 -8.342 62 HA LEU 7 HA LEU 7 4.308 15.336 -8.023 63 HB2 LEU 7 2HB LEU 7 5.115 15.771 -5.811 64 HB3 LEU 7 1HB LEU 7 5.962 16.824 -6.928 65 HG LEU 7 HG LEU 7 4.023 18.510 -6.205 66 HD11 LEU 7 1HD1 LEU 7 4.451 17.327 -3.545 67 HD12 LEU 7 2HD1 LEU 7 3.352 16.448 -4.606 68 HD13 LEU 7 3HD1 LEU 7 3.036 18.139 -4.215 69 HD21 LEU 7 3HD2 LEU 7 6.080 19.387 -5.869 70 HD22 LEU 7 1HD2 LEU 7 6.713 17.910 -5.142 71 HD23 LEU 7 2HD2 LEU 7 5.713 19.004 -4.188 72 H ASN 8 H ASN 8 2.859 14.105 -6.898 73 HA ASN 8 HA ASN 8 0.696 15.315 -5.418 74 HB2 ASN 8 2HB ASN 8 0.152 13.809 -7.984 75 HB3 ASN 8 1HB ASN 8 -1.080 14.228 -6.789 76 HD21 ASN 8 1HD2 ASN 8 -1.949 16.213 -6.810 77 HD22 ASN 8 2HD2 ASN 8 -1.492 17.474 -7.897 78 H LEU 9 H LEU 9 -0.692 13.702 -4.391 79 HA LEU 9 HA LEU 9 0.871 11.432 -3.536 80 HB2 LEU 9 2HB LEU 9 -1.121 11.048 -2.021 81 HB3 LEU 9 1HB LEU 9 -0.207 12.522 -1.774 82 HG LEU 9 HG LEU 9 -2.546 12.730 -3.575 83 HD11 LEU 9 1HD1 LEU 9 -3.195 12.899 -0.709 84 HD12 LEU 9 2HD1 LEU 9 -2.978 11.276 -1.360 85 HD13 LEU 9 3HD1 LEU 9 -4.177 12.357 -2.069 86 HD21 LEU 9 3HD2 LEU 9 -2.662 14.712 -1.692 87 HD22 LEU 9 1HD2 LEU 9 -1.842 14.833 -3.248 88 HD23 LEU 9 2HD2 LEU 9 -0.930 14.403 -1.802 89 H LYS 10 H LYS 10 -1.926 12.049 -5.526 90 HA LYS 10 HA LYS 10 -3.288 9.745 -5.710 91 HB2 LYS 10 2HB LYS 10 -3.378 10.194 -8.246 92 HB3 LYS 10 1HB LYS 10 -3.993 11.428 -7.157 93 HG2 LYS 10 2HG LYS 10 -1.400 12.198 -7.421 94 HG3 LYS 10 1HG LYS 10 -1.724 11.497 -9.008 95 HD2 LYS 10 2HD LYS 10 -3.784 13.310 -7.894 96 HD3 LYS 10 1HD LYS 10 -2.265 14.046 -8.407 97 HE2 LYS 10 2HE LYS 10 -3.676 14.122 -10.292 98 HE3 LYS 10 1HE LYS 10 -2.557 12.793 -10.589 99 HZ1 LYS 10 3HZ LYS 10 -5.046 12.099 -9.256 100 HZ2 LYS 10 1HZ LYS 10 -4.193 11.269 -10.460 101 HZ3 LYS 10 2HZ LYS 10 -5.184 12.577 -10.872 102 H GLN 11 H GLN 11 -0.258 10.351 -7.498 103 HA GLN 11 HA GLN 11 0.040 7.990 -8.839 104 HB2 GLN 11 2HB GLN 11 2.555 8.284 -8.376 105 HB3 GLN 11 1HB GLN 11 1.716 9.588 -9.207 106 HG2 GLN 11 2HG GLN 11 1.902 11.021 -7.450 107 HG3 GLN 11 1HG GLN 11 1.910 9.727 -6.250 108 HE21 GLN 11 1HE2 GLN 11 3.750 9.699 -5.196 109 HE22 GLN 11 2HE2 GLN 11 5.322 9.945 -5.870 110 H ALA 12 H ALA 12 0.485 8.585 -5.427 111 HA ALA 12 HA ALA 12 1.516 5.943 -4.879 112 HB1 ALA 12 1HB ALA 12 1.751 8.312 -3.585 113 HB2 ALA 12 2HB ALA 12 2.039 6.741 -2.841 114 HB3 ALA 12 3HB ALA 12 0.477 7.538 -2.637 115 H LYS 13 H LYS 13 -1.539 7.681 -4.608 116 HA LYS 13 HA LYS 13 -2.977 5.839 -3.109 117 HB2 LYS 13 2HB LYS 13 -4.401 7.552 -3.341 118 HB3 LYS 13 1HB LYS 13 -3.557 8.146 -4.767 119 HG2 LYS 13 2HG LYS 13 -5.502 5.861 -4.914 120 HG3 LYS 13 1HG LYS 13 -6.025 7.545 -5.000 121 HD2 LYS 13 2HD LYS 13 -3.786 7.050 -6.754 122 HD3 LYS 13 1HD LYS 13 -5.122 5.954 -7.104 123 HE2 LYS 13 2HE LYS 13 -5.732 8.836 -6.693 124 HE3 LYS 13 1HE LYS 13 -4.960 8.357 -8.204 125 HZ1 LYS 13 3HZ LYS 13 -7.531 8.391 -8.014 126 HZ2 LYS 13 1HZ LYS 13 -7.326 6.887 -7.268 127 HZ3 LYS 13 2HZ LYS 13 -6.771 7.131 -8.847 128 H GLU 14 H GLU 14 -2.158 5.911 -6.508 129 HA GLU 14 HA GLU 14 -3.767 3.620 -7.177 130 HB2 GLU 14 2HB GLU 14 -3.422 5.151 -8.957 131 HB3 GLU 14 1HB GLU 14 -1.696 5.247 -8.651 132 HG2 GLU 14 2HG GLU 14 -1.595 2.800 -9.358 133 HG3 GLU 14 1HG GLU 14 -3.236 3.027 -9.962 134 H GLU 15 H GLU 15 -0.482 4.295 -6.205 135 HA GLU 15 HA GLU 15 0.857 1.988 -6.928 136 HB2 GLU 15 2HB GLU 15 1.144 4.043 -4.839 137 HB3 GLU 15 1HB GLU 15 1.894 2.504 -4.447 138 HG2 GLU 15 2HG GLU 15 2.423 4.200 -6.873 139 HG3 GLU 15 1HG GLU 15 3.485 3.965 -5.483 140 H ALA 16 H ALA 16 -1.011 2.587 -3.959 141 HA ALA 16 HA ALA 16 -0.707 -0.109 -3.029 142 HB1 ALA 16 1HB ALA 16 -2.873 1.235 -1.738 143 HB2 ALA 16 2HB ALA 16 -1.517 2.348 -1.922 144 HB3 ALA 16 3HB ALA 16 -1.288 0.806 -1.096 145 H ILE 17 H ILE 17 -3.239 1.744 -4.655 146 HA ILE 17 HA ILE 17 -5.312 -0.111 -4.451 147 HB ILE 17 HB ILE 17 -4.667 2.051 -6.427 148 HG12 ILE 17 2HG1 ILE 17 -6.985 1.575 -4.547 149 HG13 ILE 17 1HG1 ILE 17 -5.615 2.640 -4.250 150 HG21 ILE 17 1HG2 ILE 17 -6.994 0.146 -6.712 151 HG22 ILE 17 2HG2 ILE 17 -5.651 0.347 -7.840 152 HG23 ILE 17 3HG2 ILE 17 -6.800 1.661 -7.595 153 HD11 ILE 17 3HD1 ILE 17 -7.901 2.984 -6.134 154 HD12 ILE 17 1HD1 ILE 17 -6.372 3.816 -6.423 155 HD13 ILE 17 2HD1 ILE 17 -7.262 4.099 -4.926 156 H LYS 18 H LYS 18 -2.810 0.252 -6.958 157 HA LYS 18 HA LYS 18 -3.647 -1.899 -8.571 158 HB2 LYS 18 2HB LYS 18 -2.068 -0.117 -9.286 159 HB3 LYS 18 1HB LYS 18 -0.845 -0.814 -8.234 160 HG2 LYS 18 2HG LYS 18 -1.256 -2.978 -9.592 161 HG3 LYS 18 1HG LYS 18 -1.985 -1.890 -10.776 162 HD2 LYS 18 2HD LYS 18 0.017 -0.792 -11.189 163 HD3 LYS 18 1HD LYS 18 0.724 -1.295 -9.652 164 HE2 LYS 18 2HE LYS 18 1.781 -2.879 -10.812 165 HE3 LYS 18 1HE LYS 18 0.217 -3.683 -10.940 166 HZ1 LYS 18 3HZ LYS 18 1.637 -3.093 -13.052 167 HZ2 LYS 18 1HZ LYS 18 0.851 -1.602 -12.896 168 HZ3 LYS 18 2HZ LYS 18 -0.053 -3.019 -13.083 169 H GLU 19 H GLU 19 -1.419 -1.722 -5.833 170 HA GLU 19 HA GLU 19 -0.546 -4.424 -6.020 171 HB2 GLU 19 2HB GLU 19 -0.485 -2.550 -3.649 172 HB3 GLU 19 1HB GLU 19 0.464 -4.021 -3.835 173 HG2 GLU 19 2HG GLU 19 0.715 -1.956 -5.943 174 HG3 GLU 19 1HG GLU 19 1.429 -1.605 -4.369 175 H LEU 20 H LEU 20 -3.141 -2.765 -4.344 176 HA LEU 20 HA LEU 20 -3.819 -4.787 -2.534 177 HB2 LEU 20 2HB LEU 20 -5.009 -2.321 -3.525 178 HB3 LEU 20 1HB LEU 20 -6.214 -3.533 -3.141 179 HG LEU 20 HG LEU 20 -5.238 -3.711 -0.846 180 HD11 LEU 20 1HD1 LEU 20 -3.432 -2.586 -0.171 181 HD12 LEU 20 2HD1 LEU 20 -3.858 -1.143 -1.094 182 HD13 LEU 20 3HD1 LEU 20 -3.053 -2.496 -1.893 183 HD21 LEU 20 3HD2 LEU 20 -7.182 -2.282 -1.380 184 HD22 LEU 20 1HD2 LEU 20 -6.079 -0.931 -1.633 185 HD23 LEU 20 2HD2 LEU 20 -6.218 -1.665 -0.039 186 H VAL 21 H VAL 21 -5.016 -4.156 -5.819 187 HA VAL 21 HA VAL 21 -6.836 -6.366 -5.762 188 HB VAL 21 HB VAL 21 -6.612 -5.979 -8.419 189 HG11 VAL 21 1HG1 VAL 21 -8.712 -5.587 -7.675 190 HG12 VAL 21 2HG1 VAL 21 -8.226 -3.905 -7.893 191 HG13 VAL 21 3HG1 VAL 21 -8.169 -4.639 -6.290 192 HG21 VAL 21 3HG2 VAL 21 -5.807 -3.958 -9.101 193 HG22 VAL 21 1HG2 VAL 21 -4.712 -4.266 -7.754 194 HG23 VAL 21 2HG2 VAL 21 -6.090 -3.185 -7.541 195 H ASP 22 H ASP 22 -3.516 -5.911 -6.715 196 HA ASP 22 HA ASP 22 -3.214 -8.269 -8.245 197 HB2 ASP 22 2HB ASP 22 -1.656 -6.099 -7.786 198 HB3 ASP 22 1HB ASP 22 -0.850 -7.289 -6.768 199 H ALA 23 H ALA 23 -3.291 -7.704 -4.822 200 HA ALA 23 HA ALA 23 -2.728 -10.565 -4.403 201 HB1 ALA 23 1HB ALA 23 -1.265 -10.207 -2.610 202 HB2 ALA 23 2HB ALA 23 -1.716 -8.509 -2.457 203 HB3 ALA 23 3HB ALA 23 -0.748 -9.047 -3.831 204 H GLY 24 H GLY 24 -3.824 -11.567 -2.712 205 HA2 GLY 24 2HA GLY 24 -6.372 -10.534 -2.070 206 HA3 GLY 24 1HA GLY 24 -5.615 -11.938 -1.328 207 H THR 25 H THR 25 -5.880 -8.438 -1.211 208 HA THR 25 HA THR 25 -4.982 -8.495 1.594 209 HB THR 25 HB THR 25 -3.435 -7.306 0.201 210 HG1 THR 25 1HG THR 25 -3.818 -5.116 1.151 211 HG21 THR 25 3HG2 THR 25 -4.257 -5.132 -0.834 212 HG22 THR 25 1HG2 THR 25 -5.857 -5.865 -0.778 213 HG23 THR 25 2HG2 THR 25 -4.562 -6.635 -1.696 214 H ALA 26 H ALA 26 -5.855 -5.555 1.628 215 HA ALA 26 HA ALA 26 -8.764 -5.986 1.807 216 HB1 ALA 26 1HB ALA 26 -7.578 -4.097 3.733 217 HB2 ALA 26 2HB ALA 26 -7.209 -5.800 3.998 218 HB3 ALA 26 3HB ALA 26 -8.886 -5.259 3.937 219 H GLU 27 H GLU 27 -9.993 -3.917 1.818 220 HA GLU 27 HA GLU 27 -8.994 -2.183 -0.261 221 HB2 GLU 27 2HB GLU 27 -11.255 -1.224 -0.241 222 HB3 GLU 27 1HB GLU 27 -11.295 -2.976 -0.377 223 HG2 GLU 27 2HG GLU 27 -11.485 -2.738 2.275 224 HG3 GLU 27 1HG GLU 27 -12.223 -1.213 1.798 225 H LYS 28 H LYS 28 -9.854 -1.944 3.141 226 HA LYS 28 HA LYS 28 -9.913 0.738 3.596 227 HB2 LYS 28 2HB LYS 28 -8.360 -1.073 5.425 228 HB3 LYS 28 1HB LYS 28 -9.329 0.328 5.850 229 HG2 LYS 28 2HG LYS 28 -10.302 -2.371 4.965 230 HG3 LYS 28 1HG LYS 28 -10.536 -1.587 6.528 231 HD2 LYS 28 2HD LYS 28 -11.691 0.262 5.062 232 HD3 LYS 28 1HD LYS 28 -11.884 -1.071 3.922 233 HE2 LYS 28 2HE LYS 28 -13.819 -0.738 5.461 234 HE3 LYS 28 1HE LYS 28 -13.109 -2.349 5.518 235 HZ1 LYS 28 3HZ LYS 28 -13.664 -1.080 7.703 236 HZ2 LYS 28 1HZ LYS 28 -12.180 -0.312 7.418 237 HZ3 LYS 28 2HZ LYS 28 -12.245 -1.994 7.593 238 H TYR 29 H TYR 29 -7.108 -1.176 2.812 239 HA TYR 29 HA TYR 29 -5.121 0.610 3.662 240 HB2 TYR 29 2HB TYR 29 -4.922 -1.299 1.315 241 HB3 TYR 29 1HB TYR 29 -3.585 -0.575 2.209 242 HD1 TYR 29 1HD TYR 29 -3.995 -0.909 4.920 243 HD2 TYR 29 2HD TYR 29 -5.225 -3.548 1.816 244 HE1 TYR 29 1HE TYR 29 -4.009 -2.770 6.516 245 HE2 TYR 29 2HE TYR 29 -5.244 -5.416 3.410 246 HH TYR 29 HH TYR 29 -3.883 -5.176 6.538 247 H PHE 30 H PHE 30 -6.590 0.310 0.390 248 HA PHE 30 HA PHE 30 -5.124 2.503 -0.634 249 HB2 PHE 30 2HB PHE 30 -6.589 2.473 -2.546 250 HB3 PHE 30 1HB PHE 30 -6.194 0.820 -2.103 251 HD1 PHE 30 1HD PHE 30 -8.840 3.340 -1.238 252 HD2 PHE 30 2HD PHE 30 -7.904 -0.668 -2.318 253 HE1 PHE 30 1HE PHE 30 -11.230 2.780 -1.217 254 HE2 PHE 30 2HE PHE 30 -10.294 -1.236 -2.293 255 HZ PHE 30 HZ PHE 30 -11.963 0.489 -1.745 256 H LYS 31 H LYS 31 -7.951 2.294 1.325 257 HA LYS 31 HA LYS 31 -8.862 4.971 0.740 258 HB2 LYS 31 2HB LYS 31 -9.844 2.676 2.210 259 HB3 LYS 31 1HB LYS 31 -10.005 4.145 3.163 260 HG2 LYS 31 2HG LYS 31 -11.656 4.937 1.885 261 HG3 LYS 31 1HG LYS 31 -10.869 4.438 0.387 262 HD2 LYS 31 2HD LYS 31 -12.979 3.254 0.696 263 HD3 LYS 31 1HD LYS 31 -11.617 2.135 0.767 264 HE2 LYS 31 2HE LYS 31 -11.722 2.122 3.191 265 HE3 LYS 31 1HE LYS 31 -13.022 3.312 3.163 266 HZ1 LYS 31 3HZ LYS 31 -14.540 1.768 2.614 267 HZ2 LYS 31 1HZ LYS 31 -13.428 0.693 3.298 268 HZ3 LYS 31 2HZ LYS 31 -13.487 0.894 1.625 269 H LEU 32 H LEU 32 -6.763 3.399 2.999 270 HA LEU 32 HA LEU 32 -6.650 5.617 4.834 271 HB2 LEU 32 2HB LEU 32 -5.911 2.876 4.823 272 HB3 LEU 32 1HB LEU 32 -4.456 3.813 5.153 273 HG LEU 32 HG LEU 32 -7.035 4.050 6.710 274 HD11 LEU 32 1HD1 LEU 32 -4.690 2.278 6.983 275 HD12 LEU 32 2HD1 LEU 32 -6.358 2.045 7.484 276 HD13 LEU 32 3HD1 LEU 32 -5.280 3.039 8.461 277 HD21 LEU 32 3HD2 LEU 32 -5.999 5.586 8.059 278 HD22 LEU 32 1HD2 LEU 32 -5.277 5.990 6.501 279 HD23 LEU 32 2HD2 LEU 32 -4.381 5.008 7.660 280 H ILE 33 H ILE 33 -4.582 4.222 2.323 281 HA ILE 33 HA ILE 33 -2.415 6.006 2.730 282 HB ILE 33 HB ILE 33 -1.750 5.281 0.377 283 HG12 ILE 33 2HG1 ILE 33 -3.373 2.908 0.405 284 HG13 ILE 33 1HG1 ILE 33 -4.414 4.326 0.376 285 HG21 ILE 33 1HG2 ILE 33 -1.221 4.229 2.732 286 HG22 ILE 33 2HG2 ILE 33 -0.705 3.443 1.240 287 HG23 ILE 33 3HG2 ILE 33 -2.148 2.878 2.080 288 HD11 ILE 33 3HD1 ILE 33 -3.779 4.910 -1.711 289 HD12 ILE 33 1HD1 ILE 33 -3.456 3.184 -1.822 290 HD13 ILE 33 2HD1 ILE 33 -2.139 4.309 -1.501 291 H ALA 34 H ALA 34 -5.135 6.013 0.442 292 HA ALA 34 HA ALA 34 -4.365 8.264 -1.034 293 HB1 ALA 34 1HB ALA 34 -6.059 7.198 -2.105 294 HB2 ALA 34 2HB ALA 34 -7.024 8.403 -1.253 295 HB3 ALA 34 3HB ALA 34 -6.884 6.768 -0.607 296 H ASN 35 H ASN 35 -5.912 7.918 2.067 297 HA ASN 35 HA ASN 35 -6.821 10.615 2.277 298 HB2 ASN 35 2HB ASN 35 -7.895 8.902 3.601 299 HB3 ASN 35 1HB ASN 35 -6.364 8.469 4.366 300 HD21 ASN 35 1HD2 ASN 35 -8.772 11.010 4.047 301 HD22 ASN 35 2HD2 ASN 35 -8.449 11.759 5.565 302 H ALA 36 H ALA 36 -3.819 8.977 2.864 303 HA ALA 36 HA ALA 36 -2.599 10.719 4.676 304 HB1 ALA 36 1HB ALA 36 -1.361 9.097 2.457 305 HB2 ALA 36 2HB ALA 36 -1.609 8.590 4.128 306 HB3 ALA 36 3HB ALA 36 -0.464 9.880 3.758 307 H LYS 37 H LYS 37 -0.970 12.355 4.281 308 HA LYS 37 HA LYS 37 -1.649 13.990 1.940 309 HB2 LYS 37 2HB LYS 37 -0.464 15.813 3.254 310 HB3 LYS 37 1HB LYS 37 -1.993 15.234 3.912 311 HG2 LYS 37 2HG LYS 37 -0.766 13.833 5.505 312 HG3 LYS 37 1HG LYS 37 0.758 14.443 4.856 313 HD2 LYS 37 2HD LYS 37 -0.645 16.742 5.417 314 HD3 LYS 37 1HD LYS 37 -1.103 15.666 6.738 315 HE2 LYS 37 2HE LYS 37 1.211 15.295 7.298 316 HE3 LYS 37 1HE LYS 37 1.738 16.227 5.899 317 HZ1 LYS 37 3HZ LYS 37 1.915 17.699 7.667 318 HZ2 LYS 37 1HZ LYS 37 0.460 17.204 8.377 319 HZ3 LYS 37 2HZ LYS 37 0.440 18.131 6.963 320 H THR 38 H THR 38 0.915 12.194 3.395 321 HA THR 38 HA THR 38 2.830 13.307 1.462 322 HB THR 38 HB THR 38 4.585 12.313 2.880 323 HG1 THR 38 1HG THR 38 3.271 10.629 3.764 324 HG21 THR 38 3HG2 THR 38 4.682 14.086 4.195 325 HG22 THR 38 1HG2 THR 38 3.161 13.688 4.996 326 HG23 THR 38 2HG2 THR 38 3.149 14.574 3.471 327 H VAL 39 H VAL 39 3.776 12.037 -0.037 328 HA VAL 39 HA VAL 39 2.515 9.676 -0.857 329 HB VAL 39 HB VAL 39 4.381 9.405 -2.434 330 HG11 VAL 39 1HG1 VAL 39 3.607 11.051 -3.753 331 HG12 VAL 39 2HG1 VAL 39 3.995 12.312 -2.583 332 HG13 VAL 39 3HG1 VAL 39 2.512 11.374 -2.409 333 HG21 VAL 39 3HG2 VAL 39 6.349 9.967 -1.399 334 HG22 VAL 39 1HG2 VAL 39 5.660 11.390 -0.618 335 HG23 VAL 39 2HG2 VAL 39 6.055 11.433 -2.336 336 H GLU 40 H GLU 40 5.403 10.208 1.092 337 HA GLU 40 HA GLU 40 6.485 7.658 1.102 338 HB2 GLU 40 2HB GLU 40 6.368 9.597 3.419 339 HB3 GLU 40 1HB GLU 40 7.482 8.246 3.265 340 HG2 GLU 40 2HG GLU 40 7.387 10.397 1.190 341 HG3 GLU 40 1HG GLU 40 8.300 10.611 2.683 342 H GLY 41 H GLY 41 3.625 8.843 2.684 343 HA2 GLY 41 2HA GLY 41 3.376 6.687 4.559 344 HA3 GLY 41 1HA GLY 41 2.124 7.848 4.128 345 H VAL 42 H VAL 42 2.097 7.398 1.371 346 HA VAL 42 HA VAL 42 0.401 5.101 1.283 347 HB VAL 42 HB VAL 42 1.348 6.941 -0.911 348 HG11 VAL 42 1HG1 VAL 42 0.646 5.251 -2.223 349 HG12 VAL 42 2HG1 VAL 42 -0.953 5.886 -1.835 350 HG13 VAL 42 3HG1 VAL 42 -0.308 4.509 -0.939 351 HG21 VAL 42 3HG2 VAL 42 -0.001 8.349 0.220 352 HG22 VAL 42 1HG2 VAL 42 -0.839 7.042 1.058 353 HG23 VAL 42 2HG2 VAL 42 -1.281 7.453 -0.599 354 H TRP 43 H TRP 43 3.521 5.959 -0.196 355 HA TRP 43 HA TRP 43 3.807 3.557 -1.636 356 HB2 TRP 43 2HB TRP 43 5.757 5.661 -0.720 357 HB3 TRP 43 1HB TRP 43 6.327 4.223 -1.560 358 HD1 TRP 43 HD TRP 43 4.293 7.429 -2.149 359 HE1 TRP 43 1HE TRP 43 4.072 7.811 -4.676 360 HE3 TRP 43 3HE TRP 43 6.249 3.005 -3.821 361 HZ2 TRP 43 2HZ TRP 43 4.633 6.431 -7.065 362 HZ3 TRP 43 3HZ TRP 43 6.351 2.614 -6.250 363 HH2 TRP 43 HH TRP 43 5.562 4.294 -7.835 364 H THR 44 H THR 44 4.310 4.316 1.699 365 HA THR 44 HA THR 44 6.009 2.062 2.252 366 HB THR 44 HB THR 44 5.302 2.636 4.676 367 HG1 THR 44 1HG THR 44 3.589 3.900 4.548 368 HG21 THR 44 3HG2 THR 44 7.001 4.200 2.860 369 HG22 THR 44 1HG2 THR 44 7.372 3.456 4.416 370 HG23 THR 44 2HG2 THR 44 6.529 5.005 4.357 371 H LEU 45 H LEU 45 2.619 2.888 2.946 372 HA LEU 45 HA LEU 45 1.881 0.425 4.050 373 HB2 LEU 45 2HB LEU 45 0.635 2.816 3.646 374 HB3 LEU 45 1HB LEU 45 -0.184 1.805 2.471 375 HD11 LEU 45 1HD1 LEU 45 -0.489 1.154 6.633 376 HD12 LEU 45 2HD1 LEU 45 -0.569 2.790 5.979 377 HD13 LEU 45 3HD1 LEU 45 0.943 1.883 5.907 378 HD21 LEU 45 3HD2 LEU 45 -2.233 1.218 3.198 379 HD22 LEU 45 1HD2 LEU 45 -2.155 2.623 4.260 380 HD23 LEU 45 2HD2 LEU 45 -2.623 1.051 4.909 381 H LYS 46 H LYS 46 1.733 1.596 0.697 382 HA LYS 46 HA LYS 46 0.485 -0.644 -0.419 383 HB2 LYS 46 2HB LYS 46 1.122 0.176 -2.529 384 HB3 LYS 46 1HB LYS 46 0.950 1.609 -1.528 385 HG2 LYS 46 2HG LYS 46 2.914 2.134 -2.492 386 HG3 LYS 46 1HG LYS 46 3.556 1.153 -1.174 387 HD2 LYS 46 2HD LYS 46 3.400 -0.822 -2.757 388 HD3 LYS 46 1HD LYS 46 3.104 0.354 -4.039 389 HE2 LYS 46 2HE LYS 46 5.237 1.190 -3.953 390 HE3 LYS 46 1HE LYS 46 5.453 0.756 -2.256 391 HZ1 LYS 46 3HZ LYS 46 6.183 -1.289 -2.783 392 HZ2 LYS 46 1HZ LYS 46 6.560 -0.578 -4.272 393 HZ3 LYS 46 2HZ LYS 46 5.132 -1.467 -4.095 394 H ASP 47 H ASP 47 3.844 -0.005 0.383 395 HA ASP 47 HA ASP 47 5.015 -2.191 -0.935 396 HB2 ASP 47 2HB ASP 47 6.270 -0.291 0.111 397 HB3 ASP 47 1HB ASP 47 5.898 -0.971 1.692 398 H GLU 48 H GLU 48 3.259 -1.892 2.061 399 HA GLU 48 HA GLU 48 3.923 -4.515 3.030 400 HB2 GLU 48 2HB GLU 48 3.298 -2.640 4.535 401 HB3 GLU 48 1HB GLU 48 1.672 -2.678 3.869 402 HG2 GLU 48 2HG GLU 48 1.611 -3.834 5.929 403 HG3 GLU 48 1HG GLU 48 1.500 -5.047 4.653 404 H ILE 49 H ILE 49 1.578 -3.163 0.890 405 HA ILE 49 HA ILE 49 -0.381 -5.229 1.074 406 HB ILE 49 HB ILE 49 0.101 -3.395 -1.266 407 HG12 ILE 49 2HG1 ILE 49 -0.073 -2.060 0.763 408 HG13 ILE 49 1HG1 ILE 49 -1.542 -1.889 -0.187 409 HG21 ILE 49 1HG2 ILE 49 -1.536 -5.501 -1.166 410 HG22 ILE 49 2HG2 ILE 49 -1.926 -4.029 -2.053 411 HG23 ILE 49 3HG2 ILE 49 -2.591 -4.290 -0.441 412 HD11 ILE 49 3HD1 ILE 49 -2.416 -3.797 1.353 413 HD12 ILE 49 1HD1 ILE 49 -2.372 -2.133 1.935 414 HD13 ILE 49 2HD1 ILE 49 -1.111 -3.270 2.414 415 H LYS 50 H LYS 50 2.461 -4.668 -0.925 416 HA LYS 50 HA LYS 50 1.928 -6.888 -2.669 417 HB2 LYS 50 2HB LYS 50 4.168 -6.405 -3.591 418 HB3 LYS 50 1HB LYS 50 3.142 -4.979 -3.532 419 HG2 LYS 50 2HG LYS 50 4.287 -4.248 -1.492 420 HG3 LYS 50 1HG LYS 50 5.331 -5.668 -1.582 421 HD2 LYS 50 2HD LYS 50 5.180 -3.988 -4.009 422 HD3 LYS 50 1HD LYS 50 5.993 -3.278 -2.613 423 HE2 LYS 50 2HE LYS 50 7.690 -4.361 -3.822 424 HE3 LYS 50 1HE LYS 50 7.318 -5.443 -2.481 425 HZ1 LYS 50 3HZ LYS 50 6.020 -5.777 -5.112 426 HZ2 LYS 50 1HZ LYS 50 6.215 -6.915 -3.874 427 HZ3 LYS 50 2HZ LYS 50 7.545 -6.440 -4.805 428 H THR 51 H THR 51 4.029 -6.282 0.115 429 HA THR 51 HA THR 51 5.142 -8.961 -0.049 430 HB THR 51 HB THR 51 5.599 -7.135 2.277 431 HG1 THR 51 1HG THR 51 6.643 -6.797 -0.332 432 HG21 THR 51 3HG2 THR 51 6.684 -9.509 1.697 433 HG22 THR 51 1HG2 THR 51 7.531 -8.238 2.581 434 HG23 THR 51 2HG2 THR 51 7.808 -8.446 0.851 435 H PHE 52 H PHE 52 3.154 -7.084 2.224 436 HA PHE 52 HA PHE 52 1.868 -7.712 3.995 437 HB2 PHE 52 2HB PHE 52 1.054 -9.132 1.648 438 HB3 PHE 52 1HB PHE 52 0.782 -10.145 3.056 439 HD1 PHE 52 1HD PHE 52 -0.055 -6.970 1.441 440 HD2 PHE 52 2HD PHE 52 -0.896 -9.594 4.672 441 HE1 PHE 52 1HE PHE 52 -2.105 -5.680 1.933 442 HE2 PHE 52 2HE PHE 52 -2.945 -8.329 5.177 443 HZ PHE 52 HZ PHE 52 -3.548 -6.375 3.808 444 H THR 53 H THR 53 4.615 -8.843 3.913 445 HA THR 53 HA THR 53 5.920 -10.290 5.071 446 HB THR 53 HB THR 53 3.997 -9.385 6.813 447 HG1 THR 53 1HG THR 53 5.442 -10.154 8.402 448 HG21 THR 53 3HG2 THR 53 4.207 -12.279 7.490 449 HG22 THR 53 1HG2 THR 53 2.876 -11.691 6.511 450 HG23 THR 53 2HG2 THR 53 3.120 -11.058 8.140 451 H VAL 54 H VAL 54 6.119 -12.611 5.860 452 HA VAL 54 HA VAL 54 4.337 -14.378 4.317 453 HB VAL 54 HB VAL 54 7.324 -14.767 4.561 454 HG11 VAL 54 1HG1 VAL 54 5.971 -16.819 4.313 455 HG12 VAL 54 2HG1 VAL 54 7.025 -16.517 2.924 456 HG13 VAL 54 3HG1 VAL 54 5.298 -16.163 2.816 457 HG21 VAL 54 3HG2 VAL 54 6.139 -14.191 1.920 458 HG22 VAL 54 1HG2 VAL 54 7.679 -13.680 2.617 459 HG23 VAL 54 2HG2 VAL 54 6.193 -12.837 3.047 460 H THR 55 H THR 55 6.861 -14.303 6.836 461 HA THR 55 HA THR 55 5.447 -16.504 8.193 462 HB THR 55 HB THR 55 8.324 -15.737 8.625 463 HG1 THR 55 1HG THR 55 7.223 -17.586 6.786 464 HG21 THR 55 3HG2 THR 55 6.581 -17.775 9.715 465 HG22 THR 55 1HG2 THR 55 8.166 -17.237 10.252 466 HG23 THR 55 2HG2 THR 55 8.032 -18.449 8.977 467 H GLU 56 H GLU 56 5.250 -16.425 10.478 468 HA GLU 56 HA GLU 56 5.811 -13.852 11.755 469 HB2 GLU 56 2HB GLU 56 3.102 -15.177 11.654 470 HB3 GLU 56 1HB GLU 56 3.517 -13.888 12.775 471 HG2 GLU 56 2HG GLU 56 4.217 -12.644 10.567 472 HG3 GLU 56 1HG GLU 56 3.085 -13.791 9.839 Start of MODEL 18 1 H1 THR 1 1HT THR 1 -0.196 26.317 -17.005 2 H2 THR 1 2HT THR 1 -1.505 26.623 -15.940 3 H3 THR 1 3HT THR 1 -0.414 25.340 -15.615 4 HA THR 1 HA THR 1 0.471 28.125 -15.806 5 HB THR 1 HB THR 1 -1.200 28.236 -14.138 6 HG1 THR 1 1HG THR 1 -0.007 28.663 -12.350 7 HG21 THR 1 3HG2 THR 1 -1.691 26.669 -12.493 8 HG22 THR 1 1HG2 THR 1 -0.164 25.816 -12.715 9 HG23 THR 1 2HG2 THR 1 -1.427 25.699 -13.941 10 H THR 2 H THR 2 0.846 24.962 -14.188 11 HA THR 2 HA THR 2 2.688 23.754 -13.624 12 HB THR 2 HB THR 2 4.204 25.412 -15.638 13 HG1 THR 2 1HG THR 2 3.208 24.411 -17.202 14 HG21 THR 2 3HG2 THR 2 4.504 22.578 -14.685 15 HG22 THR 2 1HG2 THR 2 5.644 23.909 -14.484 16 HG23 THR 2 2HG2 THR 2 5.335 23.246 -16.089 17 H TYR 3 H TYR 3 2.725 24.709 -11.534 18 HA TYR 3 HA TYR 3 5.033 26.479 -11.141 19 HB2 TYR 3 2HB TYR 3 2.520 27.414 -10.860 20 HB3 TYR 3 1HB TYR 3 2.774 26.767 -9.241 21 HD1 TYR 3 2HD TYR 3 5.228 27.422 -8.274 22 HD2 TYR 3 1HD TYR 3 3.003 29.646 -11.136 23 HE1 TYR 3 2HE TYR 3 6.470 29.454 -7.652 24 HE2 TYR 3 1HE TYR 3 4.238 31.679 -10.528 25 HH TYR 3 HH TYR 3 7.044 31.605 -8.553 26 H LYS 4 H LYS 4 2.666 24.634 -9.204 27 HA LYS 4 HA LYS 4 4.537 23.993 -7.178 28 HB2 LYS 4 2HB LYS 4 1.743 23.282 -7.821 29 HB3 LYS 4 1HB LYS 4 2.617 22.124 -6.829 30 HG2 LYS 4 2HG LYS 4 2.902 23.631 -5.098 31 HG3 LYS 4 1HG LYS 4 2.593 25.027 -6.134 32 HD2 LYS 4 2HD LYS 4 0.499 22.955 -5.523 33 HD3 LYS 4 1HD LYS 4 0.743 24.388 -4.519 34 HE2 LYS 4 2HE LYS 4 -0.663 25.437 -5.894 35 HE3 LYS 4 1HE LYS 4 0.633 25.399 -7.090 36 HZ1 LYS 4 3HZ LYS 4 -1.396 23.258 -6.766 37 HZ2 LYS 4 1HZ LYS 4 -0.242 23.389 -7.997 38 HZ3 LYS 4 2HZ LYS 4 -1.507 24.507 -7.901 39 H LEU 5 H LEU 5 6.191 22.645 -7.349 40 HA LEU 5 HA LEU 5 6.546 20.819 -9.462 41 HB2 LEU 5 2HB LEU 5 7.886 20.980 -6.763 42 HB3 LEU 5 1HB LEU 5 8.423 19.941 -8.066 43 HG LEU 5 HG LEU 5 9.216 22.574 -7.539 44 HD11 LEU 5 1HD1 LEU 5 9.681 20.684 -9.811 45 HD12 LEU 5 2HD1 LEU 5 10.721 21.011 -8.424 46 HD13 LEU 5 3HD1 LEU 5 10.514 22.233 -9.678 47 HD21 LEU 5 3HD2 LEU 5 7.364 23.541 -8.669 48 HD22 LEU 5 1HD2 LEU 5 7.514 22.415 -10.010 49 HD23 LEU 5 2HD2 LEU 5 8.746 23.648 -9.754 50 H ILE 6 H ILE 6 4.921 20.566 -6.426 51 HA ILE 6 HA ILE 6 5.033 17.892 -5.819 52 HB ILE 6 HB ILE 6 3.874 19.685 -4.505 53 HG12 ILE 6 2HG1 ILE 6 2.283 18.207 -3.492 54 HG13 ILE 6 1HG1 ILE 6 2.119 17.273 -4.972 55 HG21 ILE 6 1HG2 ILE 6 1.301 19.190 -5.820 56 HG22 ILE 6 2HG2 ILE 6 2.447 20.140 -6.765 57 HG23 ILE 6 3HG2 ILE 6 1.973 20.678 -5.155 58 HD11 ILE 6 3HD1 ILE 6 3.664 16.573 -2.872 59 HD12 ILE 6 1HD1 ILE 6 4.841 17.398 -3.895 60 HD13 ILE 6 2HD1 ILE 6 3.925 16.030 -4.530 61 H LEU 7 H LEU 7 4.419 16.074 -6.795 62 HA LEU 7 HA LEU 7 2.800 16.259 -9.221 63 HB2 LEU 7 2HB LEU 7 3.565 13.965 -9.657 64 HB3 LEU 7 1HB LEU 7 4.895 15.089 -9.446 65 HG LEU 7 HG LEU 7 4.075 13.675 -6.994 66 HD11 LEU 7 1HD1 LEU 7 4.605 11.548 -7.555 67 HD12 LEU 7 2HD1 LEU 7 5.737 12.041 -8.815 68 HD13 LEU 7 3HD1 LEU 7 4.002 12.073 -9.127 69 HD21 LEU 7 3HD2 LEU 7 5.998 14.872 -6.682 70 HD22 LEU 7 1HD2 LEU 7 6.559 14.615 -8.333 71 HD23 LEU 7 2HD2 LEU 7 6.682 13.315 -7.147 72 H ASN 8 H ASN 8 1.608 16.463 -6.549 73 HA ASN 8 HA ASN 8 -0.225 15.745 -5.416 74 HB2 ASN 8 2HB ASN 8 -0.646 14.753 -8.185 75 HB3 ASN 8 1HB ASN 8 -1.697 14.097 -6.927 76 HD21 ASN 8 1HD2 ASN 8 -2.187 16.127 -5.299 77 HD22 ASN 8 2HD2 ASN 8 -2.960 17.432 -6.126 78 H LEU 9 H LEU 9 -1.174 13.963 -4.294 79 HA LEU 9 HA LEU 9 0.726 11.847 -3.788 80 HB2 LEU 9 2HB LEU 9 -0.951 11.197 -2.022 81 HB3 LEU 9 1HB LEU 9 -0.229 12.785 -1.850 82 HG LEU 9 HG LEU 9 -2.772 12.741 -3.336 83 HD11 LEU 9 1HD1 LEU 9 -2.774 11.070 -1.237 84 HD12 LEU 9 2HD1 LEU 9 -4.173 12.027 -1.723 85 HD13 LEU 9 3HD1 LEU 9 -3.131 12.589 -0.416 86 HD21 LEU 9 3HD2 LEU 9 -2.268 14.889 -2.901 87 HD22 LEU 9 1HD2 LEU 9 -1.249 14.480 -1.521 88 HD23 LEU 9 2HD2 LEU 9 -3.000 14.550 -1.332 89 H LYS 10 H LYS 10 -2.371 12.253 -5.327 90 HA LYS 10 HA LYS 10 -3.587 9.898 -5.454 91 HB2 LYS 10 2HB LYS 10 -2.936 11.601 -7.861 92 HB3 LYS 10 1HB LYS 10 -4.194 10.373 -7.803 93 HG2 LYS 10 2HG LYS 10 -5.625 11.717 -6.734 94 HG3 LYS 10 1HG LYS 10 -4.376 12.358 -5.665 95 HD2 LYS 10 2HD LYS 10 -3.687 13.954 -7.263 96 HD3 LYS 10 1HD LYS 10 -4.583 13.156 -8.557 97 HE2 LYS 10 2HE LYS 10 -6.488 14.212 -8.037 98 HE3 LYS 10 1HE LYS 10 -6.262 13.955 -6.309 99 HZ1 LYS 10 3HZ LYS 10 -6.136 16.341 -7.460 100 HZ2 LYS 10 1HZ LYS 10 -4.502 15.907 -7.546 101 HZ3 LYS 10 2HZ LYS 10 -5.288 15.953 -6.050 102 H GLN 11 H GLN 11 -0.582 10.623 -7.199 103 HA GLN 11 HA GLN 11 -0.339 8.388 -8.777 104 HB2 GLN 11 2HB GLN 11 2.187 8.608 -8.267 105 HB3 GLN 11 1HB GLN 11 1.365 9.954 -9.043 106 HG2 GLN 11 2HG GLN 11 2.092 11.290 -7.446 107 HG3 GLN 11 1HG GLN 11 1.157 10.371 -6.267 108 HE21 GLN 11 1HE2 GLN 11 2.498 10.281 -4.577 109 HE22 GLN 11 2HE2 GLN 11 4.095 9.622 -4.612 110 H ALA 12 H ALA 12 0.650 8.708 -5.377 111 HA ALA 12 HA ALA 12 1.453 5.995 -5.093 112 HB1 ALA 12 1HB ALA 12 1.985 6.529 -2.938 113 HB2 ALA 12 2HB ALA 12 0.574 7.569 -2.730 114 HB3 ALA 12 3HB ALA 12 1.969 8.144 -3.647 115 H LYS 13 H LYS 13 -1.584 7.671 -4.827 116 HA LYS 13 HA LYS 13 -2.995 5.834 -3.265 117 HB2 LYS 13 2HB LYS 13 -4.415 7.550 -3.466 118 HB3 LYS 13 1HB LYS 13 -3.599 8.150 -4.901 119 HG2 LYS 13 2HG LYS 13 -5.496 5.842 -5.095 120 HG3 LYS 13 1HG LYS 13 -6.096 7.500 -5.025 121 HD2 LYS 13 2HD LYS 13 -5.229 8.049 -7.068 122 HD3 LYS 13 1HD LYS 13 -3.916 6.879 -6.942 123 HE2 LYS 13 2HE LYS 13 -5.242 5.891 -8.542 124 HE3 LYS 13 1HE LYS 13 -5.846 5.127 -7.072 125 HZ1 LYS 13 3HZ LYS 13 -7.612 5.925 -8.580 126 HZ2 LYS 13 1HZ LYS 13 -7.079 7.513 -8.337 127 HZ3 LYS 13 2HZ LYS 13 -7.695 6.620 -7.039 128 H GLU 14 H GLU 14 -2.188 5.911 -6.672 129 HA GLU 14 HA GLU 14 -3.818 3.632 -7.339 130 HB2 GLU 14 2HB GLU 14 -3.475 5.176 -9.113 131 HB3 GLU 14 1HB GLU 14 -1.746 5.247 -8.824 132 HG2 GLU 14 2HG GLU 14 -1.713 2.783 -9.532 133 HG3 GLU 14 1HG GLU 14 -3.335 3.082 -10.158 134 H GLU 15 H GLU 15 -0.529 4.295 -6.396 135 HA GLU 15 HA GLU 15 0.801 1.985 -7.123 136 HB2 GLU 15 2HB GLU 15 1.082 4.013 -4.989 137 HB3 GLU 15 1HB GLU 15 1.889 2.481 -4.688 138 HG2 GLU 15 2HG GLU 15 3.440 3.934 -5.716 139 HG3 GLU 15 1HG GLU 15 2.988 2.710 -6.905 140 H ALA 16 H ALA 16 -1.076 2.604 -4.175 141 HA ALA 16 HA ALA 16 -0.803 -0.072 -3.197 142 HB1 ALA 16 1HB ALA 16 -1.120 1.909 -1.733 143 HB2 ALA 16 2HB ALA 16 -2.278 0.615 -1.427 144 HB3 ALA 16 3HB ALA 16 -2.770 2.042 -2.339 145 H ILE 17 H ILE 17 -3.433 1.791 -4.689 146 HA ILE 17 HA ILE 17 -5.430 -0.125 -4.610 147 HB ILE 17 HB ILE 17 -4.862 2.107 -6.551 148 HG12 ILE 17 2HG1 ILE 17 -6.996 1.660 -4.457 149 HG13 ILE 17 1HG1 ILE 17 -5.599 2.722 -4.314 150 HG21 ILE 17 1HG2 ILE 17 -7.048 1.790 -7.583 151 HG22 ILE 17 2HG2 ILE 17 -7.299 0.320 -6.645 152 HG23 ILE 17 3HG2 ILE 17 -6.017 0.387 -7.856 153 HD11 ILE 17 3HD1 ILE 17 -8.177 3.259 -5.418 154 HD12 ILE 17 1HD1 ILE 17 -6.937 3.509 -6.646 155 HD13 ILE 17 2HD1 ILE 17 -6.840 4.366 -5.107 156 H LYS 18 H LYS 18 -2.899 0.361 -7.053 157 HA LYS 18 HA LYS 18 -3.775 -1.639 -8.836 158 HB2 LYS 18 2HB LYS 18 -2.111 0.199 -9.318 159 HB3 LYS 18 1HB LYS 18 -0.921 -0.744 -8.432 160 HG2 LYS 18 2HG LYS 18 -2.251 -2.343 -10.438 161 HG3 LYS 18 1HG LYS 18 -1.502 -0.905 -11.138 162 HD2 LYS 18 2HD LYS 18 0.133 -2.370 -9.171 163 HD3 LYS 18 1HD LYS 18 -0.192 -3.224 -10.681 164 HE2 LYS 18 2HE LYS 18 0.464 -0.800 -11.646 165 HE3 LYS 18 1HE LYS 18 1.429 -0.809 -10.170 166 HZ1 LYS 18 3HZ LYS 18 2.855 -1.778 -11.652 167 HZ2 LYS 18 1HZ LYS 18 1.627 -2.546 -12.528 168 HZ3 LYS 18 2HZ LYS 18 2.104 -3.157 -11.025 169 H GLU 19 H GLU 19 -1.317 -1.709 -6.266 170 HA GLU 19 HA GLU 19 -0.631 -4.427 -6.605 171 HB2 GLU 19 2HB GLU 19 -0.395 -2.781 -4.085 172 HB3 GLU 19 1HB GLU 19 0.548 -4.204 -4.515 173 HG2 GLU 19 2HG GLU 19 0.634 -1.901 -6.374 174 HG3 GLU 19 1HG GLU 19 1.454 -1.726 -4.823 175 H LEU 20 H LEU 20 -3.026 -2.781 -4.629 176 HA LEU 20 HA LEU 20 -3.725 -4.990 -3.013 177 HB2 LEU 20 2HB LEU 20 -4.692 -2.284 -3.496 178 HB3 LEU 20 1HB LEU 20 -5.997 -3.407 -3.175 179 HG LEU 20 HG LEU 20 -4.676 -4.095 -1.101 180 HD11 LEU 20 1HD1 LEU 20 -2.649 -2.737 -2.092 181 HD12 LEU 20 2HD1 LEU 20 -2.912 -2.928 -0.357 182 HD13 LEU 20 3HD1 LEU 20 -3.405 -1.439 -1.165 183 HD21 LEU 20 3HD2 LEU 20 -6.728 -2.605 -1.227 184 HD22 LEU 20 1HD2 LEU 20 -5.613 -1.249 -1.068 185 HD23 LEU 20 2HD2 LEU 20 -5.720 -2.457 0.212 186 H VAL 21 H VAL 21 -5.142 -3.718 -6.016 187 HA VAL 21 HA VAL 21 -7.249 -5.614 -6.124 188 HB VAL 21 HB VAL 21 -6.026 -4.121 -8.448 189 HG11 VAL 21 1HG1 VAL 21 -8.422 -5.803 -8.085 190 HG12 VAL 21 2HG1 VAL 21 -7.457 -5.495 -9.528 191 HG13 VAL 21 3HG1 VAL 21 -8.652 -4.311 -8.997 192 HG21 VAL 21 3HG2 VAL 21 -7.037 -2.931 -6.226 193 HG22 VAL 21 1HG2 VAL 21 -8.485 -3.085 -7.221 194 HG23 VAL 21 2HG2 VAL 21 -7.076 -2.226 -7.842 195 H ASP 22 H ASP 22 -3.938 -5.628 -7.214 196 HA ASP 22 HA ASP 22 -4.180 -7.857 -8.967 197 HB2 ASP 22 2HB ASP 22 -2.232 -5.955 -8.410 198 HB3 ASP 22 1HB ASP 22 -1.513 -7.472 -7.879 199 H ALA 23 H ALA 23 -3.746 -7.568 -5.526 200 HA ALA 23 HA ALA 23 -3.614 -10.501 -5.372 201 HB1 ALA 23 1HB ALA 23 -1.868 -8.821 -3.594 202 HB2 ALA 23 2HB ALA 23 -1.308 -9.439 -5.151 203 HB3 ALA 23 3HB ALA 23 -1.801 -10.561 -3.883 204 H GLY 24 H GLY 24 -4.538 -11.441 -3.546 205 HA2 GLY 24 2HA GLY 24 -6.751 -10.280 -2.398 206 HA3 GLY 24 1HA GLY 24 -5.836 -11.592 -1.646 207 H THR 25 H THR 25 -6.922 -8.489 -1.232 208 HA THR 25 HA THR 25 -5.025 -8.032 0.960 209 HB THR 25 HB THR 25 -4.355 -6.799 -1.093 210 HG1 THR 25 1HG THR 25 -4.067 -5.994 1.144 211 HG21 THR 25 3HG2 THR 25 -5.692 -5.427 -2.233 212 HG22 THR 25 1HG2 THR 25 -6.458 -4.795 -0.778 213 HG23 THR 25 2HG2 THR 25 -6.999 -6.325 -1.467 214 H ALA 26 H ALA 26 -6.013 -5.418 1.495 215 HA ALA 26 HA ALA 26 -8.829 -5.827 2.206 216 HB1 ALA 26 1HB ALA 26 -8.519 -5.545 4.427 217 HB2 ALA 26 2HB ALA 26 -7.190 -4.414 4.209 218 HB3 ALA 26 3HB ALA 26 -6.900 -6.146 4.070 219 H GLU 27 H GLU 27 -9.698 -4.351 0.884 220 HA GLU 27 HA GLU 27 -8.816 -2.122 -0.280 221 HB2 GLU 27 2HB GLU 27 -11.142 -1.144 0.005 222 HB3 GLU 27 1HB GLU 27 -11.046 -2.753 -0.698 223 HG2 GLU 27 2HG GLU 27 -11.388 -2.565 2.236 224 HG3 GLU 27 1HG GLU 27 -12.762 -2.127 1.223 225 H LYS 28 H LYS 28 -9.606 -2.296 3.126 226 HA LYS 28 HA LYS 28 -9.753 0.348 3.833 227 HB2 LYS 28 2HB LYS 28 -8.205 -1.609 5.510 228 HB3 LYS 28 1HB LYS 28 -9.203 -0.262 6.038 229 HG2 LYS 28 2HG LYS 28 -10.154 -2.854 4.839 230 HG3 LYS 28 1HG LYS 28 -10.339 -2.316 6.507 231 HD2 LYS 28 2HD LYS 28 -11.412 -0.519 4.424 232 HD3 LYS 28 1HD LYS 28 -12.257 -2.046 4.645 233 HE2 LYS 28 2HE LYS 28 -13.360 -0.686 6.142 234 HE3 LYS 28 1HE LYS 28 -12.135 -1.421 7.170 235 HZ1 LYS 28 3HZ LYS 28 -12.482 1.328 6.431 236 HZ2 LYS 28 1HZ LYS 28 -10.897 0.784 6.199 237 HZ3 LYS 28 2HZ LYS 28 -11.615 0.657 7.721 238 H TYR 29 H TYR 29 -6.951 -1.353 2.705 239 HA TYR 29 HA TYR 29 -5.030 0.441 3.824 240 HB2 TYR 29 2HB TYR 29 -4.573 -1.346 1.428 241 HB3 TYR 29 1HB TYR 29 -3.377 -0.708 2.560 242 HD1 TYR 29 1HD TYR 29 -4.488 -1.265 5.164 243 HD2 TYR 29 2HD TYR 29 -4.577 -3.652 1.646 244 HE1 TYR 29 1HE TYR 29 -4.686 -3.281 6.543 245 HE2 TYR 29 2HE TYR 29 -4.777 -5.676 3.017 246 HH TYR 29 HH TYR 29 -5.764 -5.834 5.928 247 H PHE 30 H PHE 30 -6.211 0.060 0.445 248 HA PHE 30 HA PHE 30 -4.776 2.285 -0.498 249 HB2 PHE 30 2HB PHE 30 -6.136 2.194 -2.494 250 HB3 PHE 30 1HB PHE 30 -5.688 0.568 -2.006 251 HD1 PHE 30 2HD PHE 30 -8.496 2.965 -1.339 252 HD2 PHE 30 1HD PHE 30 -7.296 -1.007 -2.283 253 HE1 PHE 30 2HE PHE 30 -10.855 2.282 -1.445 254 HE2 PHE 30 1HE PHE 30 -9.655 -1.695 -2.396 255 HZ PHE 30 HZ PHE 30 -11.438 -0.050 -1.975 256 H LYS 31 H LYS 31 -7.719 2.077 1.280 257 HA LYS 31 HA LYS 31 -8.611 4.735 0.575 258 HB2 LYS 31 2HB LYS 31 -9.645 2.475 2.123 259 HB3 LYS 31 1HB LYS 31 -9.982 4.033 2.864 260 HG2 LYS 31 2HG LYS 31 -10.662 4.522 0.284 261 HG3 LYS 31 1HG LYS 31 -11.088 2.817 0.441 262 HD2 LYS 31 2HD LYS 31 -12.631 3.232 2.137 263 HD3 LYS 31 1HD LYS 31 -11.928 4.806 2.519 264 HE2 LYS 31 2HE LYS 31 -13.150 4.306 -0.166 265 HE3 LYS 31 1HE LYS 31 -14.174 4.683 1.218 266 HZ1 LYS 31 3HZ LYS 31 -11.872 6.414 0.696 267 HZ2 LYS 31 1HZ LYS 31 -13.386 6.798 1.346 268 HZ3 LYS 31 2HZ LYS 31 -13.216 6.558 -0.319 269 H LEU 32 H LEU 32 -6.564 3.263 2.917 270 HA LEU 32 HA LEU 32 -6.645 5.501 4.747 271 HB2 LEU 32 2HB LEU 32 -5.791 2.767 4.807 272 HB3 LEU 32 1HB LEU 32 -4.461 3.798 5.326 273 HG LEU 32 HG LEU 32 -7.204 4.080 6.525 274 HD11 LEU 32 1HD1 LEU 32 -6.948 1.926 7.173 275 HD12 LEU 32 2HD1 LEU 32 -5.933 2.678 8.405 276 HD13 LEU 32 3HD1 LEU 32 -5.195 1.956 6.974 277 HD21 LEU 32 3HD2 LEU 32 -4.429 4.960 7.188 278 HD22 LEU 32 1HD2 LEU 32 -5.612 4.743 8.478 279 HD23 LEU 32 2HD2 LEU 32 -5.929 5.887 7.174 280 H ILE 33 H ILE 33 -4.648 4.327 2.136 281 HA ILE 33 HA ILE 33 -2.460 6.098 2.759 282 HB ILE 33 HB ILE 33 -1.540 5.333 0.554 283 HG12 ILE 33 2HG1 ILE 33 -3.057 2.967 0.236 284 HG13 ILE 33 1HG1 ILE 33 -4.209 4.296 0.292 285 HG21 ILE 33 1HG2 ILE 33 -2.267 3.186 2.539 286 HG22 ILE 33 2HG2 ILE 33 -0.919 4.314 2.687 287 HG23 ILE 33 3HG2 ILE 33 -0.937 3.127 1.382 288 HD11 ILE 33 3HD1 ILE 33 -2.005 3.800 -1.656 289 HD12 ILE 33 1HD1 ILE 33 -2.671 5.415 -1.431 290 HD13 ILE 33 2HD1 ILE 33 -3.717 4.096 -1.957 291 H ALA 34 H ALA 34 -5.034 5.964 0.322 292 HA ALA 34 HA ALA 34 -4.265 8.096 -1.268 293 HB1 ALA 34 1HB ALA 34 -7.153 7.660 -0.647 294 HB2 ALA 34 2HB ALA 34 -6.237 6.409 -1.487 295 HB3 ALA 34 3HB ALA 34 -6.377 8.021 -2.189 296 H ASN 35 H ASN 35 -5.533 8.112 1.951 297 HA ASN 35 HA ASN 35 -6.327 10.893 1.850 298 HB2 ASN 35 2HB ASN 35 -6.975 10.620 4.168 299 HB3 ASN 35 1HB ASN 35 -7.567 9.244 3.233 300 HD21 ASN 35 1HD2 ASN 35 -7.664 7.753 4.808 301 HD22 ASN 35 2HD2 ASN 35 -6.300 7.183 5.701 302 H ALA 36 H ALA 36 -3.511 9.063 2.675 303 HA ALA 36 HA ALA 36 -2.241 10.779 4.471 304 HB1 ALA 36 1HB ALA 36 -1.312 8.634 4.150 305 HB2 ALA 36 2HB ALA 36 -0.114 9.778 3.544 306 HB3 ALA 36 3HB ALA 36 -1.134 8.888 2.414 307 H LYS 37 H LYS 37 -1.718 12.842 4.237 308 HA LYS 37 HA LYS 37 -1.762 14.255 1.821 309 HB2 LYS 37 2HB LYS 37 -1.833 15.072 4.310 310 HB3 LYS 37 1HB LYS 37 -0.084 15.185 4.114 311 HG2 LYS 37 2HG LYS 37 -0.396 16.697 2.221 312 HG3 LYS 37 1HG LYS 37 -2.145 16.582 2.419 313 HD2 LYS 37 2HD LYS 37 -0.618 17.341 4.826 314 HD3 LYS 37 1HD LYS 37 -0.630 18.524 3.517 315 HE2 LYS 37 2HE LYS 37 -2.812 19.005 3.800 316 HE3 LYS 37 1HE LYS 37 -3.241 17.326 4.127 317 HZ1 LYS 37 3HZ LYS 37 -3.555 18.137 6.188 318 HZ2 LYS 37 1HZ LYS 37 -2.503 19.446 5.973 319 HZ3 LYS 37 2HZ LYS 37 -1.884 17.916 6.333 320 H THR 38 H THR 38 0.788 12.532 3.460 321 HA THR 38 HA THR 38 2.800 13.516 1.589 322 HB THR 38 HB THR 38 4.187 11.778 3.060 323 HG1 THR 38 1HG THR 38 3.342 11.735 5.165 324 HG21 THR 38 3HG2 THR 38 3.877 13.893 4.861 325 HG22 THR 38 1HG2 THR 38 3.682 14.577 3.246 326 HG23 THR 38 2HG2 THR 38 5.141 13.671 3.652 327 H VAL 39 H VAL 39 3.851 12.223 0.106 328 HA VAL 39 HA VAL 39 2.357 9.994 -0.889 329 HB VAL 39 HB VAL 39 4.056 9.866 -2.645 330 HG11 VAL 39 1HG1 VAL 39 2.192 11.659 -2.523 331 HG12 VAL 39 2HG1 VAL 39 3.467 11.832 -3.728 332 HG13 VAL 39 3HG1 VAL 39 3.520 12.784 -2.244 333 HG21 VAL 39 3HG2 VAL 39 6.121 10.297 -1.724 334 HG22 VAL 39 1HG2 VAL 39 5.540 11.682 -0.798 335 HG23 VAL 39 2HG2 VAL 39 5.791 11.828 -2.538 336 H GLU 40 H GLU 40 5.480 10.395 0.726 337 HA GLU 40 HA GLU 40 6.480 7.826 0.501 338 HB2 GLU 40 2HB GLU 40 6.753 9.911 2.649 339 HB3 GLU 40 1HB GLU 40 7.558 8.353 2.786 340 HG2 GLU 40 2HG GLU 40 8.613 8.817 0.557 341 HG3 GLU 40 1HG GLU 40 7.965 10.452 0.675 342 H GLY 41 H GLY 41 3.833 8.968 2.414 343 HA2 GLY 41 2HA GLY 41 3.799 6.785 4.274 344 HA3 GLY 41 1HA GLY 41 2.509 7.952 4.009 345 H VAL 42 H VAL 42 2.173 7.525 1.248 346 HA VAL 42 HA VAL 42 0.403 5.306 1.301 347 HB VAL 42 HB VAL 42 1.373 7.016 -0.988 348 HG11 VAL 42 1HG1 VAL 42 -0.442 4.677 -0.918 349 HG12 VAL 42 2HG1 VAL 42 0.622 5.249 -2.200 350 HG13 VAL 42 3HG1 VAL 42 -0.924 6.047 -1.919 351 HG21 VAL 42 3HG2 VAL 42 -1.364 7.400 -0.443 352 HG22 VAL 42 1HG2 VAL 42 -0.036 8.532 -0.191 353 HG23 VAL 42 2HG2 VAL 42 -0.525 7.443 1.107 354 H TRP 43 H TRP 43 3.551 5.886 -0.235 355 HA TRP 43 HA TRP 43 3.656 3.427 -1.620 356 HB2 TRP 43 2HB TRP 43 5.767 5.398 -0.746 357 HB3 TRP 43 1HB TRP 43 6.213 3.909 -1.570 358 HD1 TRP 43 HD TRP 43 4.376 7.235 -2.188 359 HE1 TRP 43 1HE TRP 43 4.260 7.644 -4.719 360 HE3 TRP 43 3HE TRP 43 6.164 2.729 -3.826 361 HZ2 TRP 43 2HZ TRP 43 4.833 6.250 -7.096 362 HZ3 TRP 43 3HZ TRP 43 6.324 2.346 -6.253 363 HH2 TRP 43 HH TRP 43 5.677 4.074 -7.850 364 H THR 44 H THR 44 4.620 4.381 1.630 365 HA THR 44 HA THR 44 6.086 2.066 2.292 366 HB THR 44 HB THR 44 5.162 2.799 4.696 367 HG1 THR 44 1HG THR 44 3.729 4.332 4.170 368 HG21 THR 44 3HG2 THR 44 6.977 4.334 4.937 369 HG22 THR 44 1HG2 THR 44 7.103 4.530 3.189 370 HG23 THR 44 2HG2 THR 44 7.505 2.983 3.934 371 H LEU 45 H LEU 45 2.720 2.947 3.078 372 HA LEU 45 HA LEU 45 1.953 0.569 4.274 373 HB2 LEU 45 2HB LEU 45 0.540 2.759 2.857 374 HB3 LEU 45 1HB LEU 45 -0.349 1.265 3.079 375 HD11 LEU 45 1HD1 LEU 45 -0.064 0.198 5.259 376 HD12 LEU 45 2HD1 LEU 45 -0.703 1.213 6.553 377 HD13 LEU 45 3HD1 LEU 45 1.040 1.048 6.339 378 HD21 LEU 45 3HD2 LEU 45 0.876 4.286 4.827 379 HD22 LEU 45 1HD2 LEU 45 2.057 3.049 5.255 380 HD23 LEU 45 2HD2 LEU 45 0.852 3.564 6.435 381 H LYS 46 H LYS 46 2.143 1.423 0.871 382 HA LYS 46 HA LYS 46 0.848 -0.830 -0.197 383 HB2 LYS 46 2HB LYS 46 1.326 1.139 -1.552 384 HB3 LYS 46 1HB LYS 46 3.054 0.879 -1.364 385 HG2 LYS 46 2HG LYS 46 2.542 -1.429 -2.466 386 HG3 LYS 46 1HG LYS 46 1.085 -0.611 -3.031 387 HD2 LYS 46 2HD LYS 46 2.372 0.051 -4.747 388 HD3 LYS 46 1HD LYS 46 3.008 1.235 -3.602 389 HE2 LYS 46 2HE LYS 46 4.948 0.043 -3.241 390 HE3 LYS 46 1HE LYS 46 4.217 -1.491 -3.712 391 HZ1 LYS 46 3HZ LYS 46 4.318 -0.883 -5.985 392 HZ2 LYS 46 1HZ LYS 46 5.843 -0.550 -5.332 393 HZ3 LYS 46 2HZ LYS 46 4.754 0.710 -5.625 394 H ASP 47 H ASP 47 4.226 -0.219 0.656 395 HA ASP 47 HA ASP 47 5.378 -2.553 -0.327 396 HB2 ASP 47 2HB ASP 47 6.457 -0.476 0.832 397 HB3 ASP 47 1HB ASP 47 6.231 -1.401 2.313 398 H GLU 48 H GLU 48 3.508 -1.966 2.572 399 HA GLU 48 HA GLU 48 4.034 -4.489 3.798 400 HB2 GLU 48 2HB GLU 48 3.075 -2.268 4.818 401 HB3 GLU 48 1HB GLU 48 1.527 -2.931 4.313 402 HG2 GLU 48 2HG GLU 48 2.524 -5.059 5.585 403 HG3 GLU 48 1HG GLU 48 3.344 -3.779 6.475 404 H ILE 49 H ILE 49 1.716 -3.280 1.490 405 HA ILE 49 HA ILE 49 -0.160 -5.386 1.600 406 HB ILE 49 HB ILE 49 0.511 -3.733 -0.830 407 HG12 ILE 49 2HG1 ILE 49 0.145 -2.265 1.098 408 HG13 ILE 49 1HG1 ILE 49 -1.189 -2.146 -0.040 409 HG21 ILE 49 1HG2 ILE 49 -2.195 -4.754 -0.079 410 HG22 ILE 49 2HG2 ILE 49 -1.040 -5.810 -0.891 411 HG23 ILE 49 3HG2 ILE 49 -1.564 -4.316 -1.666 412 HD11 ILE 49 3HD1 ILE 49 -2.121 -2.183 2.129 413 HD12 ILE 49 1HD1 ILE 49 -1.143 -3.572 2.601 414 HD13 ILE 49 2HD1 ILE 49 -2.435 -3.764 1.416 415 H LYS 50 H LYS 50 2.949 -5.064 0.068 416 HA LYS 50 HA LYS 50 2.560 -7.394 -1.614 417 HB2 LYS 50 2HB LYS 50 4.689 -5.342 -1.268 418 HB3 LYS 50 1HB LYS 50 5.159 -6.904 -1.922 419 HG2 LYS 50 2HG LYS 50 4.133 -6.541 -3.891 420 HG3 LYS 50 1HG LYS 50 2.781 -5.682 -3.150 421 HD2 LYS 50 2HD LYS 50 3.680 -3.770 -3.848 422 HD3 LYS 50 1HD LYS 50 5.038 -4.057 -2.759 423 HE2 LYS 50 2HE LYS 50 5.547 -5.669 -4.973 424 HE3 LYS 50 1HE LYS 50 4.928 -4.163 -5.648 425 HZ1 LYS 50 3HZ LYS 50 7.415 -4.684 -4.277 426 HZ2 LYS 50 1HZ LYS 50 6.644 -3.259 -3.805 427 HZ3 LYS 50 2HZ LYS 50 7.045 -3.507 -5.429 428 H THR 51 H THR 51 3.987 -6.604 1.464 429 HA THR 51 HA THR 51 5.495 -9.058 1.640 430 HB THR 51 HB THR 51 4.984 -7.637 4.149 431 HG1 THR 51 1HG THR 51 5.613 -5.709 3.587 432 HG21 THR 51 3HG2 THR 51 7.476 -8.300 2.623 433 HG22 THR 51 1HG2 THR 51 6.812 -9.165 4.003 434 HG23 THR 51 2HG2 THR 51 7.439 -7.532 4.211 435 H PHE 52 H PHE 52 2.426 -7.823 2.835 436 HA PHE 52 HA PHE 52 1.940 -10.238 4.360 437 HB2 PHE 52 2HB PHE 52 0.504 -8.997 5.557 438 HB3 PHE 52 1HB PHE 52 1.180 -7.622 4.687 439 HD1 PHE 52 1HD PHE 52 -0.048 -6.562 2.908 440 HD2 PHE 52 2HD PHE 52 -1.681 -9.860 5.023 441 HE1 PHE 52 1HE PHE 52 -2.266 -6.042 1.981 442 HE2 PHE 52 2HE PHE 52 -3.900 -9.354 4.105 443 HZ PHE 52 HZ PHE 52 -4.201 -7.445 2.584 444 H THR 53 H THR 53 1.898 -9.730 1.246 445 HA THR 53 HA THR 53 -0.456 -11.446 0.803 446 HB THR 53 HB THR 53 -0.550 -8.970 -0.053 447 HG1 THR 53 1HG THR 53 -1.080 -11.063 -1.887 448 HG21 THR 53 3HG2 THR 53 1.697 -9.149 -1.202 449 HG22 THR 53 1HG2 THR 53 0.365 -8.495 -2.154 450 HG23 THR 53 2HG2 THR 53 0.889 -10.161 -2.399 451 H VAL 54 H VAL 54 -0.028 -13.343 -0.092 452 HA VAL 54 HA VAL 54 2.258 -13.630 -1.889 453 HB VAL 54 HB VAL 54 2.732 -15.871 -0.639 454 HG11 VAL 54 1HG1 VAL 54 3.641 -13.244 0.520 455 HG12 VAL 54 2HG1 VAL 54 4.309 -14.006 -0.928 456 HG13 VAL 54 3HG1 VAL 54 4.478 -14.794 0.650 457 HG21 VAL 54 3HG2 VAL 54 2.544 -15.305 1.909 458 HG22 VAL 54 1HG2 VAL 54 1.188 -16.037 1.052 459 HG23 VAL 54 2HG2 VAL 54 1.194 -14.304 1.379 460 H THR 55 H THR 55 -0.239 -15.561 -0.212 461 HA THR 55 HA THR 55 -1.131 -16.531 -2.833 462 HB THR 55 HB THR 55 -0.953 -18.414 -0.496 463 HG1 THR 55 1HG THR 55 1.058 -17.952 -2.440 464 HG21 THR 55 3HG2 THR 55 -2.287 -19.004 -2.536 465 HG22 THR 55 1HG2 THR 55 -1.008 -20.141 -2.103 466 HG23 THR 55 2HG2 THR 55 -0.772 -19.008 -3.428 467 H GLU 56 H GLU 56 -1.857 -16.680 0.658 468 HA GLU 56 HA GLU 56 -4.637 -15.975 0.020 469 HB2 GLU 56 2HB GLU 56 -3.631 -18.362 1.441 470 HB3 GLU 56 1HB GLU 56 -4.991 -17.545 2.201 471 HG2 GLU 56 2HG GLU 56 -6.316 -17.797 0.210 472 HG3 GLU 56 1HG GLU 56 -4.941 -18.479 -0.660 Start of MODEL 19 1 H1 THR 1 1HT THR 1 18.177 18.779 -5.063 2 H2 THR 1 2HT THR 1 17.649 17.388 -5.918 3 H3 THR 1 3HT THR 1 16.574 18.703 -5.668 4 HA THR 1 HA THR 1 18.129 20.096 -6.949 5 HB THR 1 HB THR 1 20.066 18.602 -6.668 6 HG1 THR 1 1HG THR 1 19.338 18.804 -9.398 7 HG21 THR 1 3HG2 THR 1 18.290 16.598 -7.638 8 HG22 THR 1 1HG2 THR 1 19.925 16.426 -7.002 9 HG23 THR 1 2HG2 THR 1 19.675 16.725 -8.722 10 H THR 2 H THR 2 17.752 20.321 -9.262 11 HA THR 2 HA THR 2 16.394 20.287 -11.086 12 HB THR 2 HB THR 2 15.658 17.436 -10.688 13 HG1 THR 2 1HG THR 2 17.650 16.695 -10.811 14 HG21 THR 2 3HG2 THR 2 15.144 17.925 -12.822 15 HG22 THR 2 1HG2 THR 2 16.847 17.540 -13.075 16 HG23 THR 2 2HG2 THR 2 16.335 19.222 -12.930 17 H TYR 3 H TYR 3 15.266 20.612 -8.293 18 HA TYR 3 HA TYR 3 13.246 21.000 -7.330 19 HB2 TYR 3 2HB TYR 3 12.896 21.467 -10.144 20 HB3 TYR 3 1HB TYR 3 11.413 20.794 -9.472 21 HD1 TYR 3 2HD TYR 3 13.891 23.527 -9.028 22 HD2 TYR 3 1HD TYR 3 9.948 22.142 -8.229 23 HE1 TYR 3 2HE TYR 3 13.300 25.735 -8.145 24 HE2 TYR 3 1HE TYR 3 9.346 24.350 -7.342 25 HH TYR 3 HH TYR 3 10.538 26.317 -6.330 26 H LYS 4 H LYS 4 11.332 19.958 -6.584 27 HA LYS 4 HA LYS 4 11.506 17.188 -6.368 28 HB2 LYS 4 2HB LYS 4 9.597 19.270 -5.579 29 HB3 LYS 4 1HB LYS 4 8.857 17.697 -5.840 30 HG2 LYS 4 2HG LYS 4 10.214 16.681 -4.191 31 HG3 LYS 4 1HG LYS 4 11.262 18.099 -4.087 32 HD2 LYS 4 2HD LYS 4 8.338 18.073 -3.346 33 HD3 LYS 4 1HD LYS 4 9.663 17.897 -2.194 34 HE2 LYS 4 2HE LYS 4 9.768 20.105 -2.046 35 HE3 LYS 4 1HE LYS 4 10.254 20.167 -3.740 36 HZ1 LYS 4 3HZ LYS 4 8.077 20.544 -4.422 37 HZ2 LYS 4 1HZ LYS 4 8.216 21.495 -3.037 38 HZ3 LYS 4 2HZ LYS 4 7.407 20.010 -2.967 39 H LEU 5 H LEU 5 10.760 15.516 -7.520 40 HA LEU 5 HA LEU 5 9.456 16.084 -10.060 41 HB2 LEU 5 2HB LEU 5 10.516 14.274 -10.849 42 HB3 LEU 5 1HB LEU 5 11.488 14.407 -9.399 43 HG LEU 5 HG LEU 5 9.742 12.824 -8.335 44 HD11 LEU 5 1HD1 LEU 5 8.591 13.146 -10.860 45 HD12 LEU 5 2HD1 LEU 5 8.109 12.016 -9.594 46 HD13 LEU 5 3HD1 LEU 5 9.248 11.509 -10.840 47 HD21 LEU 5 3HD2 LEU 5 11.685 11.923 -10.456 48 HD22 LEU 5 1HD2 LEU 5 10.928 10.852 -9.276 49 HD23 LEU 5 2HD2 LEU 5 12.008 12.138 -8.736 50 H ILE 6 H ILE 6 8.700 14.909 -6.929 51 HA ILE 6 HA ILE 6 6.636 13.144 -7.304 52 HB ILE 6 HB ILE 6 7.498 13.747 -5.098 53 HG12 ILE 6 2HG1 ILE 6 5.299 13.923 -3.906 54 HG13 ILE 6 1HG1 ILE 6 4.532 14.206 -5.465 55 HG21 ILE 6 1HG2 ILE 6 6.166 15.967 -4.252 56 HG22 ILE 6 2HG2 ILE 6 6.589 16.408 -5.906 57 HG23 ILE 6 3HG2 ILE 6 7.851 15.932 -4.770 58 HD11 ILE 6 3HD1 ILE 6 5.405 11.726 -4.233 59 HD12 ILE 6 1HD1 ILE 6 5.958 11.906 -5.898 60 HD13 ILE 6 2HD1 ILE 6 4.237 12.005 -5.525 61 H LEU 7 H LEU 7 4.447 13.270 -7.690 62 HA LEU 7 HA LEU 7 3.349 15.902 -8.389 63 HB2 LEU 7 2HB LEU 7 2.292 14.979 -10.370 64 HB3 LEU 7 1HB LEU 7 4.033 14.799 -10.454 65 HG LEU 7 HG LEU 7 3.131 12.409 -9.317 66 HD11 LEU 7 1HD1 LEU 7 1.549 12.726 -11.809 67 HD12 LEU 7 2HD1 LEU 7 0.880 13.373 -10.311 68 HD13 LEU 7 3HD1 LEU 7 1.289 11.661 -10.429 69 HD21 LEU 7 3HD2 LEU 7 4.304 13.316 -11.875 70 HD22 LEU 7 1HD2 LEU 7 3.591 11.703 -11.854 71 HD23 LEU 7 2HD2 LEU 7 4.880 12.113 -10.722 72 H ASN 8 H ASN 8 2.215 15.882 -6.415 73 HA ASN 8 HA ASN 8 0.424 15.512 -5.058 74 HB2 ASN 8 2HB ASN 8 -0.549 14.652 -7.744 75 HB3 ASN 8 1HB ASN 8 -1.541 14.258 -6.336 76 HD21 ASN 8 1HD2 ASN 8 -0.499 16.696 -8.489 77 HD22 ASN 8 2HD2 ASN 8 -1.399 18.003 -7.808 78 H LEU 9 H LEU 9 -0.851 13.845 -3.954 79 HA LEU 9 HA LEU 9 0.746 11.514 -3.482 80 HB2 LEU 9 2HB LEU 9 -1.170 10.954 -1.896 81 HB3 LEU 9 1HB LEU 9 -0.216 12.385 -1.554 82 HG LEU 9 HG LEU 9 -2.620 12.854 -3.192 83 HD11 LEU 9 1HD1 LEU 9 -3.917 11.562 -1.894 84 HD12 LEU 9 2HD1 LEU 9 -3.779 12.907 -0.761 85 HD13 LEU 9 3HD1 LEU 9 -2.732 11.497 -0.590 86 HD21 LEU 9 3HD2 LEU 9 -2.102 14.290 -0.671 87 HD22 LEU 9 1HD2 LEU 9 -2.507 14.911 -2.271 88 HD23 LEU 9 2HD2 LEU 9 -0.851 14.427 -1.906 89 H LYS 10 H LYS 10 -2.199 12.237 -5.201 90 HA LYS 10 HA LYS 10 -3.581 9.986 -5.504 91 HB2 LYS 10 2HB LYS 10 -3.099 12.284 -7.121 92 HB3 LYS 10 1HB LYS 10 -3.128 10.874 -8.171 93 HG2 LYS 10 2HG LYS 10 -5.331 11.867 -7.988 94 HG3 LYS 10 1HG LYS 10 -5.314 10.250 -7.283 95 HD2 LYS 10 2HD LYS 10 -4.991 11.330 -5.043 96 HD3 LYS 10 1HD LYS 10 -5.261 12.888 -5.827 97 HE2 LYS 10 2HE LYS 10 -7.482 12.276 -6.446 98 HE3 LYS 10 1HE LYS 10 -7.220 10.604 -5.950 99 HZ1 LYS 10 3HZ LYS 10 -8.325 11.416 -4.146 100 HZ2 LYS 10 1HZ LYS 10 -7.698 12.980 -4.302 101 HZ3 LYS 10 2HZ LYS 10 -6.738 11.744 -3.661 102 H GLN 11 H GLN 11 -0.525 10.602 -7.239 103 HA GLN 11 HA GLN 11 -0.374 8.328 -8.773 104 HB2 GLN 11 2HB GLN 11 2.181 8.502 -8.279 105 HB3 GLN 11 1HB GLN 11 1.374 9.798 -9.148 106 HG2 GLN 11 2HG GLN 11 1.960 11.275 -7.611 107 HG3 GLN 11 1HG GLN 11 1.263 10.290 -6.324 108 HE21 GLN 11 1HE2 GLN 11 2.668 9.884 -4.789 109 HE22 GLN 11 2HE2 GLN 11 4.358 9.589 -4.996 110 H ALA 12 H ALA 12 0.655 8.700 -5.393 111 HA ALA 12 HA ALA 12 1.452 5.995 -5.057 112 HB1 ALA 12 1HB ALA 12 1.920 8.179 -3.626 113 HB2 ALA 12 2HB ALA 12 1.968 6.567 -2.911 114 HB3 ALA 12 3HB ALA 12 0.533 7.576 -2.716 115 H LYS 13 H LYS 13 -1.592 7.669 -4.857 116 HA LYS 13 HA LYS 13 -3.004 5.823 -3.300 117 HB2 LYS 13 2HB LYS 13 -4.450 7.513 -3.481 118 HB3 LYS 13 1HB LYS 13 -3.592 8.177 -4.863 119 HG2 LYS 13 2HG LYS 13 -5.438 5.868 -5.273 120 HG3 LYS 13 1HG LYS 13 -6.104 7.484 -5.036 121 HD2 LYS 13 2HD LYS 13 -4.917 8.334 -6.918 122 HD3 LYS 13 1HD LYS 13 -3.983 6.846 -7.069 123 HE2 LYS 13 2HE LYS 13 -6.961 7.122 -7.477 124 HE3 LYS 13 1HE LYS 13 -5.755 6.956 -8.753 125 HZ1 LYS 13 3HZ LYS 13 -5.352 4.842 -7.007 126 HZ2 LYS 13 1HZ LYS 13 -5.995 4.775 -8.571 127 HZ3 LYS 13 2HZ LYS 13 -7.026 4.936 -7.239 128 H GLU 14 H GLU 14 -2.172 5.920 -6.702 129 HA GLU 14 HA GLU 14 -3.798 3.654 -7.417 130 HB2 GLU 14 2HB GLU 14 -1.445 4.456 -9.072 131 HB3 GLU 14 1HB GLU 14 -3.045 3.943 -9.582 132 HG2 GLU 14 2HG GLU 14 -3.945 6.124 -8.920 133 HG3 GLU 14 1HG GLU 14 -2.328 6.635 -8.440 134 H GLU 15 H GLU 15 -0.523 4.273 -6.393 135 HA GLU 15 HA GLU 15 0.779 1.929 -7.043 136 HB2 GLU 15 2HB GLU 15 1.047 3.985 -4.929 137 HB3 GLU 15 1HB GLU 15 1.846 2.449 -4.614 138 HG2 GLU 15 2HG GLU 15 3.407 3.899 -5.641 139 HG3 GLU 15 1HG GLU 15 2.965 2.659 -6.818 140 H ALA 16 H ALA 16 -1.155 2.623 -4.144 141 HA ALA 16 HA ALA 16 -0.921 -0.030 -3.107 142 HB1 ALA 16 1HB ALA 16 -2.917 2.104 -2.368 143 HB2 ALA 16 2HB ALA 16 -1.296 1.960 -1.686 144 HB3 ALA 16 3HB ALA 16 -2.483 0.684 -1.416 145 H ILE 17 H ILE 17 -3.413 1.753 -4.886 146 HA ILE 17 HA ILE 17 -5.450 -0.144 -4.790 147 HB ILE 17 HB ILE 17 -4.754 2.051 -6.701 148 HG12 ILE 17 2HG1 ILE 17 -5.893 2.494 -4.545 149 HG13 ILE 17 1HG1 ILE 17 -6.844 2.991 -5.940 150 HG21 ILE 17 1HG2 ILE 17 -6.995 0.085 -7.183 151 HG22 ILE 17 2HG2 ILE 17 -5.579 0.334 -8.205 152 HG23 ILE 17 3HG2 ILE 17 -6.776 1.616 -8.030 153 HD11 ILE 17 3HD1 ILE 17 -8.163 0.927 -5.742 154 HD12 ILE 17 1HD1 ILE 17 -8.261 1.942 -4.303 155 HD13 ILE 17 2HD1 ILE 17 -7.242 0.502 -4.299 156 H LYS 18 H LYS 18 -2.868 0.259 -7.214 157 HA LYS 18 HA LYS 18 -3.624 -1.877 -8.864 158 HB2 LYS 18 2HB LYS 18 -1.853 0.023 -9.199 159 HB3 LYS 18 1HB LYS 18 -0.744 -1.143 -8.489 160 HG2 LYS 18 2HG LYS 18 -2.405 -1.552 -10.968 161 HG3 LYS 18 1HG LYS 18 -0.669 -1.240 -10.908 162 HD2 LYS 18 2HD LYS 18 -0.595 -3.350 -9.402 163 HD3 LYS 18 1HD LYS 18 -2.182 -3.694 -10.096 164 HE2 LYS 18 2HE LYS 18 0.370 -3.248 -11.643 165 HE3 LYS 18 1HE LYS 18 -0.394 -4.809 -11.341 166 HZ1 LYS 18 3HZ LYS 18 -2.168 -4.292 -12.730 167 HZ2 LYS 18 1HZ LYS 18 -0.833 -3.673 -13.564 168 HZ3 LYS 18 2HZ LYS 18 -1.850 -2.631 -12.706 169 H GLU 19 H GLU 19 -1.405 -1.748 -6.105 170 HA GLU 19 HA GLU 19 -0.646 -4.485 -6.276 171 HB2 GLU 19 2HB GLU 19 -0.480 -2.661 -3.876 172 HB3 GLU 19 1HB GLU 19 0.473 -4.112 -4.174 173 HG2 GLU 19 2HG GLU 19 0.607 -1.938 -6.185 174 HG3 GLU 19 1HG GLU 19 1.405 -1.677 -4.633 175 H LEU 20 H LEU 20 -3.157 -2.725 -4.561 176 HA LEU 20 HA LEU 20 -3.858 -4.806 -2.793 177 HB2 LEU 20 2HB LEU 20 -4.899 -2.192 -3.513 178 HB3 LEU 20 1HB LEU 20 -6.178 -3.339 -3.172 179 HG LEU 20 HG LEU 20 -5.059 -3.811 -0.966 180 HD11 LEU 20 1HD1 LEU 20 -2.872 -2.692 -1.949 181 HD12 LEU 20 2HD1 LEU 20 -3.247 -2.669 -0.223 182 HD13 LEU 20 3HD1 LEU 20 -3.591 -1.252 -1.221 183 HD21 LEU 20 3HD2 LEU 20 -6.991 -2.293 -1.244 184 HD22 LEU 20 1HD2 LEU 20 -5.865 -0.948 -1.405 185 HD23 LEU 20 2HD2 LEU 20 -5.942 -1.854 0.102 186 H VAL 21 H VAL 21 -5.014 -3.915 -5.997 187 HA VAL 21 HA VAL 21 -7.109 -5.850 -6.056 188 HB VAL 21 HB VAL 21 -5.780 -4.636 -8.473 189 HG11 VAL 21 1HG1 VAL 21 -8.003 -4.878 -9.463 190 HG12 VAL 21 2HG1 VAL 21 -8.595 -5.584 -7.959 191 HG13 VAL 21 3HG1 VAL 21 -7.370 -6.428 -8.907 192 HG21 VAL 21 3HG2 VAL 21 -8.138 -3.214 -7.682 193 HG22 VAL 21 1HG2 VAL 21 -6.504 -2.603 -7.942 194 HG23 VAL 21 2HG2 VAL 21 -6.976 -3.213 -6.356 195 H ASP 22 H ASP 22 -3.728 -5.850 -6.903 196 HA ASP 22 HA ASP 22 -3.768 -8.232 -8.458 197 HB2 ASP 22 2HB ASP 22 -1.936 -6.232 -7.993 198 HB3 ASP 22 1HB ASP 22 -1.224 -7.607 -7.153 199 H ALA 23 H ALA 23 -3.632 -7.623 -5.037 200 HA ALA 23 HA ALA 23 -3.312 -10.526 -4.615 201 HB1 ALA 23 1HB ALA 23 -2.189 -8.661 -2.574 202 HB2 ALA 23 2HB ALA 23 -1.259 -8.997 -4.036 203 HB3 ALA 23 3HB ALA 23 -1.728 -10.316 -2.967 204 H GLY 24 H GLY 24 -4.391 -11.428 -2.831 205 HA2 GLY 24 2HA GLY 24 -6.882 -10.209 -2.212 206 HA3 GLY 24 1HA GLY 24 -6.247 -11.694 -1.504 207 H THR 25 H THR 25 -5.765 -8.180 -1.388 208 HA THR 25 HA THR 25 -5.051 -8.393 1.453 209 HB THR 25 HB THR 25 -3.370 -7.260 0.293 210 HG1 THR 25 1HG THR 25 -3.691 -5.009 0.952 211 HG21 THR 25 3HG2 THR 25 -4.221 -6.805 -1.813 212 HG22 THR 25 1HG2 THR 25 -3.914 -5.225 -1.103 213 HG23 THR 25 2HG2 THR 25 -5.558 -5.851 -1.169 214 H ALA 26 H ALA 26 -5.646 -5.733 2.173 215 HA ALA 26 HA ALA 26 -8.585 -5.822 2.187 216 HB1 ALA 26 1HB ALA 26 -7.200 -4.072 4.112 217 HB2 ALA 26 2HB ALA 26 -6.928 -5.800 4.309 218 HB3 ALA 26 3HB ALA 26 -8.574 -5.159 4.342 219 H GLU 27 H GLU 27 -9.757 -4.179 1.405 220 HA GLU 27 HA GLU 27 -8.660 -2.286 -0.324 221 HB2 GLU 27 2HB GLU 27 -10.963 -1.189 -0.115 222 HB3 GLU 27 1HB GLU 27 -10.901 -2.844 -0.700 223 HG2 GLU 27 2HG GLU 27 -12.293 -3.459 0.900 224 HG3 GLU 27 1HG GLU 27 -11.131 -2.939 2.120 225 H LYS 28 H LYS 28 -9.464 -2.069 3.073 226 HA LYS 28 HA LYS 28 -9.584 0.592 3.584 227 HB2 LYS 28 2HB LYS 28 -7.872 -1.205 5.289 228 HB3 LYS 28 1HB LYS 28 -8.839 0.172 5.794 229 HG2 LYS 28 2HG LYS 28 -9.861 -2.493 4.851 230 HG3 LYS 28 1HG LYS 28 -9.912 -1.856 6.497 231 HD2 LYS 28 2HD LYS 28 -11.150 -0.130 4.463 232 HD3 LYS 28 1HD LYS 28 -11.951 -1.680 4.709 233 HE2 LYS 28 2HE LYS 28 -11.897 -1.172 7.186 234 HE3 LYS 28 1HE LYS 28 -11.392 0.461 6.748 235 HZ1 LYS 28 3HZ LYS 28 -13.754 -0.551 5.391 236 HZ2 LYS 28 1HZ LYS 28 -13.439 0.990 6.014 237 HZ3 LYS 28 2HZ LYS 28 -13.929 -0.255 7.047 238 H TYR 29 H TYR 29 -6.658 -1.222 2.837 239 HA TYR 29 HA TYR 29 -4.772 0.697 3.559 240 HB2 TYR 29 2HB TYR 29 -4.541 -1.263 1.257 241 HB3 TYR 29 1HB TYR 29 -3.213 -0.395 2.027 242 HD1 TYR 29 1HD TYR 29 -3.403 -0.642 4.769 243 HD2 TYR 29 2HD TYR 29 -4.646 -3.494 1.868 244 HE1 TYR 29 1HE TYR 29 -3.154 -2.427 6.429 245 HE2 TYR 29 2HE TYR 29 -4.405 -5.287 3.526 246 HH TYR 29 HH TYR 29 -4.440 -5.044 6.529 247 H PHE 30 H PHE 30 -6.192 0.244 0.277 248 HA PHE 30 HA PHE 30 -4.876 2.488 -0.789 249 HB2 PHE 30 2HB PHE 30 -6.347 2.358 -2.681 250 HB3 PHE 30 1HB PHE 30 -5.922 0.726 -2.195 251 HD1 PHE 30 2HD PHE 30 -8.608 3.221 -1.371 252 HD2 PHE 30 1HD PHE 30 -7.602 -0.790 -2.370 253 HE1 PHE 30 2HE PHE 30 -10.987 2.616 -1.318 254 HE2 PHE 30 1HE PHE 30 -9.983 -1.402 -2.321 255 HZ PHE 30 HZ PHE 30 -11.679 0.303 -1.794 256 H LYS 31 H LYS 31 -7.654 2.223 1.232 257 HA LYS 31 HA LYS 31 -8.609 4.893 0.629 258 HB2 LYS 31 2HB LYS 31 -9.615 2.570 2.027 259 HB3 LYS 31 1HB LYS 31 -9.788 4.011 3.022 260 HG2 LYS 31 2HG LYS 31 -10.704 4.948 0.669 261 HG3 LYS 31 1HG LYS 31 -11.162 3.249 0.536 262 HD2 LYS 31 2HD LYS 31 -12.368 3.367 2.626 263 HD3 LYS 31 1HD LYS 31 -11.818 5.024 2.885 264 HE2 LYS 31 2HE LYS 31 -13.112 4.709 0.311 265 HE3 LYS 31 1HE LYS 31 -14.169 4.220 1.637 266 HZ1 LYS 31 3HZ LYS 31 -12.693 6.760 1.811 267 HZ2 LYS 31 1HZ LYS 31 -14.154 6.320 2.540 268 HZ3 LYS 31 2HZ LYS 31 -14.108 6.680 0.889 269 H LEU 32 H LEU 32 -6.668 3.261 3.020 270 HA LEU 32 HA LEU 32 -6.576 5.477 4.842 271 HB2 LEU 32 2HB LEU 32 -5.792 2.727 4.815 272 HB3 LEU 32 1HB LEU 32 -4.406 3.704 5.290 273 HG LEU 32 HG LEU 32 -6.971 4.309 6.649 274 HD11 LEU 32 1HD1 LEU 32 -5.414 2.006 7.703 275 HD12 LEU 32 2HD1 LEU 32 -6.585 1.716 6.418 276 HD13 LEU 32 3HD1 LEU 32 -7.107 2.433 7.941 277 HD21 LEU 32 3HD2 LEU 32 -5.113 4.126 8.560 278 HD22 LEU 32 1HD2 LEU 32 -5.336 5.573 7.576 279 HD23 LEU 32 2HD2 LEU 32 -4.062 4.419 7.175 280 H ILE 33 H ILE 33 -4.673 4.330 2.148 281 HA ILE 33 HA ILE 33 -2.446 6.061 2.751 282 HB ILE 33 HB ILE 33 -1.583 5.329 0.522 283 HG12 ILE 33 2HG1 ILE 33 -3.146 2.996 0.177 284 HG13 ILE 33 1HG1 ILE 33 -4.270 4.345 0.275 285 HG21 ILE 33 1HG2 ILE 33 -2.293 3.001 2.278 286 HG22 ILE 33 2HG2 ILE 33 -1.130 4.235 2.762 287 HG23 ILE 33 3HG2 ILE 33 -0.829 3.253 1.329 288 HD11 ILE 33 3HD1 ILE 33 -2.748 5.471 -1.447 289 HD12 ILE 33 1HD1 ILE 33 -3.802 4.165 -1.986 290 HD13 ILE 33 2HD1 ILE 33 -2.089 3.859 -1.704 291 H ALA 34 H ALA 34 -5.060 5.996 0.341 292 HA ALA 34 HA ALA 34 -4.280 8.233 -1.133 293 HB1 ALA 34 1HB ALA 34 -6.488 8.277 -2.004 294 HB2 ALA 34 2HB ALA 34 -7.136 7.451 -0.587 295 HB3 ALA 34 3HB ALA 34 -6.093 6.582 -1.713 296 H ASN 35 H ASN 35 -5.655 7.973 2.021 297 HA ASN 35 HA ASN 35 -6.586 10.701 2.131 298 HB2 ASN 35 2HB ASN 35 -7.811 9.102 3.423 299 HB3 ASN 35 1HB ASN 35 -6.344 8.517 4.210 300 HD21 ASN 35 1HD2 ASN 35 -7.332 8.907 6.226 301 HD22 ASN 35 2HD2 ASN 35 -7.441 10.497 6.870 302 H ALA 36 H ALA 36 -3.653 8.986 2.797 303 HA ALA 36 HA ALA 36 -2.473 10.726 4.664 304 HB1 ALA 36 1HB ALA 36 -0.314 9.784 3.826 305 HB2 ALA 36 2HB ALA 36 -1.238 8.913 2.604 306 HB3 ALA 36 3HB ALA 36 -1.505 8.579 4.316 307 H LYS 37 H LYS 37 -1.566 12.680 4.476 308 HA LYS 37 HA LYS 37 -1.755 14.090 1.982 309 HB2 LYS 37 2HB LYS 37 -0.720 15.973 3.321 310 HB3 LYS 37 1HB LYS 37 -2.260 15.354 3.917 311 HG2 LYS 37 2HG LYS 37 -1.226 14.221 5.705 312 HG3 LYS 37 1HG LYS 37 0.380 14.414 4.997 313 HD2 LYS 37 2HD LYS 37 -1.316 16.761 5.831 314 HD3 LYS 37 1HD LYS 37 -0.216 15.948 6.946 315 HE2 LYS 37 2HE LYS 37 1.444 16.330 4.870 316 HE3 LYS 37 1HE LYS 37 0.364 17.705 4.641 317 HZ1 LYS 37 3HZ LYS 37 1.981 18.543 6.031 318 HZ2 LYS 37 1HZ LYS 37 2.141 17.103 6.910 319 HZ3 LYS 37 2HZ LYS 37 0.785 18.088 7.135 320 H THR 38 H THR 38 0.543 12.023 3.235 321 HA THR 38 HA THR 38 2.685 13.305 1.671 322 HB THR 38 HB THR 38 4.227 11.902 3.152 323 HG1 THR 38 1HG THR 38 2.985 10.539 4.240 324 HG21 THR 38 3HG2 THR 38 4.593 13.906 4.011 325 HG22 THR 38 1HG2 THR 38 3.365 13.531 5.219 326 HG23 THR 38 2HG2 THR 38 2.920 14.395 3.748 327 H VAL 39 H VAL 39 3.781 12.102 0.188 328 HA VAL 39 HA VAL 39 2.491 9.816 -0.882 329 HB VAL 39 HB VAL 39 4.376 9.702 -2.452 330 HG11 VAL 39 1HG1 VAL 39 2.512 11.728 -2.207 331 HG12 VAL 39 2HG1 VAL 39 3.480 11.366 -3.635 332 HG13 VAL 39 3HG1 VAL 39 4.028 12.585 -2.485 333 HG21 VAL 39 3HG2 VAL 39 5.592 11.640 -0.521 334 HG22 VAL 39 1HG2 VAL 39 6.061 11.660 -2.220 335 HG23 VAL 39 2HG2 VAL 39 6.300 10.202 -1.257 336 H GLU 40 H GLU 40 5.466 10.256 0.992 337 HA GLU 40 HA GLU 40 6.479 7.680 0.877 338 HB2 GLU 40 2HB GLU 40 6.562 9.643 3.172 339 HB3 GLU 40 1HB GLU 40 7.552 8.195 3.066 340 HG2 GLU 40 2HG GLU 40 7.707 9.944 0.723 341 HG3 GLU 40 1HG GLU 40 8.297 10.663 2.220 342 H GLY 41 H GLY 41 3.705 8.867 2.566 343 HA2 GLY 41 2HA GLY 41 3.521 6.700 4.444 344 HA3 GLY 41 1HA GLY 41 2.273 7.892 4.093 345 H VAL 42 H VAL 42 2.049 7.484 1.342 346 HA VAL 42 HA VAL 42 0.278 5.263 1.295 347 HB VAL 42 HB VAL 42 1.326 7.000 -0.941 348 HG11 VAL 42 1HG1 VAL 42 0.585 5.263 -2.195 349 HG12 VAL 42 2HG1 VAL 42 -0.966 6.058 -1.927 350 HG13 VAL 42 3HG1 VAL 42 -0.501 4.674 -0.939 351 HG21 VAL 42 3HG2 VAL 42 -1.353 7.527 -0.585 352 HG22 VAL 42 1HG2 VAL 42 -0.015 8.513 0.006 353 HG23 VAL 42 2HG2 VAL 42 -0.761 7.313 1.062 354 H TRP 43 H TRP 43 3.449 5.887 -0.189 355 HA TRP 43 HA TRP 43 3.605 3.435 -1.573 356 HB2 TRP 43 2HB TRP 43 5.673 5.434 -0.667 357 HB3 TRP 43 1HB TRP 43 6.160 3.948 -1.473 358 HD1 TRP 43 HD TRP 43 4.315 7.254 -2.147 359 HE1 TRP 43 1HE TRP 43 4.219 7.635 -4.682 360 HE3 TRP 43 3HE TRP 43 6.116 2.730 -3.723 361 HZ2 TRP 43 2HZ TRP 43 4.809 6.216 -7.040 362 HZ3 TRP 43 3HZ TRP 43 6.295 2.322 -6.144 363 HH2 TRP 43 HH TRP 43 5.659 4.032 -7.764 364 H THR 44 H THR 44 4.513 4.380 1.697 365 HA THR 44 HA THR 44 5.998 2.087 2.373 366 HB THR 44 HB THR 44 5.126 2.731 4.763 367 HG1 THR 44 1HG THR 44 3.584 4.151 4.577 368 HG21 THR 44 3HG2 THR 44 6.521 5.052 4.294 369 HG22 THR 44 1HG2 THR 44 7.126 3.949 3.059 370 HG23 THR 44 2HG2 THR 44 7.206 3.495 4.761 371 H LEU 45 H LEU 45 2.596 2.888 3.077 372 HA LEU 45 HA LEU 45 1.876 0.420 4.168 373 HB2 LEU 45 2HB LEU 45 0.417 2.693 2.929 374 HB3 LEU 45 1HB LEU 45 -0.453 1.180 3.091 375 HD11 LEU 45 1HD1 LEU 45 -0.076 -0.006 5.196 376 HD12 LEU 45 2HD1 LEU 45 -0.712 0.920 6.555 377 HD13 LEU 45 3HD1 LEU 45 1.030 0.805 6.305 378 HD21 LEU 45 3HD2 LEU 45 1.927 3.102 4.953 379 HD22 LEU 45 1HD2 LEU 45 1.143 3.019 6.531 380 HD23 LEU 45 2HD2 LEU 45 0.559 4.154 5.314 381 H LYS 46 H LYS 46 2.087 1.523 0.852 382 HA LYS 46 HA LYS 46 0.746 -0.594 -0.410 383 HB2 LYS 46 2HB LYS 46 1.329 1.464 -1.586 384 HB3 LYS 46 1HB LYS 46 3.041 1.107 -1.404 385 HG2 LYS 46 2HG LYS 46 1.440 -0.971 -2.738 386 HG3 LYS 46 1HG LYS 46 1.614 0.553 -3.611 387 HD2 LYS 46 2HD LYS 46 4.164 0.055 -2.687 388 HD3 LYS 46 1HD LYS 46 3.567 -1.551 -3.111 389 HE2 LYS 46 2HE LYS 46 2.770 -0.360 -5.294 390 HE3 LYS 46 1HE LYS 46 3.978 0.844 -4.849 391 HZ1 LYS 46 3HZ LYS 46 4.382 -2.003 -5.524 392 HZ2 LYS 46 1HZ LYS 46 5.546 -1.139 -4.650 393 HZ3 LYS 46 2HZ LYS 46 5.114 -0.639 -6.207 394 H ASP 47 H ASP 47 4.155 -0.157 0.460 395 HA ASP 47 HA ASP 47 5.189 -2.491 -0.650 396 HB2 ASP 47 2HB ASP 47 6.061 -0.488 1.223 397 HB3 ASP 47 1HB ASP 47 6.530 -2.079 1.811 398 H GLU 48 H GLU 48 3.464 -1.941 2.358 399 HA GLU 48 HA GLU 48 3.913 -4.474 3.524 400 HB2 GLU 48 2HB GLU 48 2.601 -2.138 4.258 401 HB3 GLU 48 1HB GLU 48 1.306 -3.321 4.143 402 HG2 GLU 48 2HG GLU 48 3.321 -4.640 5.517 403 HG3 GLU 48 1HG GLU 48 3.347 -2.999 6.160 404 H ILE 49 H ILE 49 1.554 -3.256 1.246 405 HA ILE 49 HA ILE 49 -0.238 -5.440 1.235 406 HB ILE 49 HB ILE 49 0.367 -3.750 -1.182 407 HG12 ILE 49 2HG1 ILE 49 0.171 -2.169 0.625 408 HG13 ILE 49 1HG1 ILE 49 -1.328 -2.141 -0.291 409 HG21 ILE 49 1HG2 ILE 49 -1.356 -5.787 -0.889 410 HG22 ILE 49 2HG2 ILE 49 -1.631 -4.426 -1.976 411 HG23 ILE 49 3HG2 ILE 49 -2.377 -4.445 -0.379 412 HD11 ILE 49 3HD1 ILE 49 -2.335 -3.625 1.416 413 HD12 ILE 49 1HD1 ILE 49 -1.840 -2.051 2.039 414 HD13 ILE 49 2HD1 ILE 49 -0.851 -3.477 2.357 415 H LYS 50 H LYS 50 2.862 -4.917 -0.279 416 HA LYS 50 HA LYS 50 2.558 -7.179 -2.067 417 HB2 LYS 50 2HB LYS 50 4.001 -4.868 -2.228 418 HB3 LYS 50 1HB LYS 50 5.240 -6.016 -1.738 419 HG2 LYS 50 2HG LYS 50 3.405 -6.597 -4.032 420 HG3 LYS 50 1HG LYS 50 4.862 -5.623 -4.239 421 HD2 LYS 50 2HD LYS 50 5.600 -7.916 -2.761 422 HD3 LYS 50 1HD LYS 50 4.601 -8.468 -4.106 423 HE2 LYS 50 2HE LYS 50 6.510 -8.390 -5.281 424 HE3 LYS 50 1HE LYS 50 6.208 -6.654 -5.339 425 HZ1 LYS 50 3HZ LYS 50 7.736 -7.875 -3.124 426 HZ2 LYS 50 1HZ LYS 50 7.720 -6.261 -3.632 427 HZ3 LYS 50 2HZ LYS 50 8.490 -7.437 -4.573 428 H THR 51 H THR 51 3.817 -6.565 1.091 429 HA THR 51 HA THR 51 5.345 -9.063 1.057 430 HB THR 51 HB THR 51 5.453 -7.775 3.603 431 HG1 THR 51 1HG THR 51 4.884 -5.867 2.602 432 HG21 THR 51 3HG2 THR 51 7.413 -8.796 3.211 433 HG22 THR 51 1HG2 THR 51 7.846 -7.232 2.518 434 HG23 THR 51 2HG2 THR 51 7.316 -8.545 1.466 435 H PHE 52 H PHE 52 2.542 -7.570 2.569 436 HA PHE 52 HA PHE 52 2.134 -9.819 4.314 437 HB2 PHE 52 2HB PHE 52 0.821 -8.436 5.500 438 HB3 PHE 52 1HB PHE 52 1.409 -7.171 4.440 439 HD1 PHE 52 1HD PHE 52 -1.343 -9.591 4.931 440 HD2 PHE 52 2HD PHE 52 -0.055 -6.018 3.022 441 HE1 PHE 52 1HE PHE 52 -3.639 -9.157 4.192 442 HE2 PHE 52 2HE PHE 52 -2.356 -5.573 2.274 443 HZ PHE 52 HZ PHE 52 -4.156 -7.152 2.864 444 H THR 53 H THR 53 1.707 -9.470 1.149 445 HA THR 53 HA THR 53 -0.896 -10.479 0.701 446 HB THR 53 HB THR 53 1.576 -10.150 -0.932 447 HG1 THR 53 1HG THR 53 -1.111 -9.318 -1.055 448 HG21 THR 53 3HG2 THR 53 -0.779 -11.738 -1.938 449 HG22 THR 53 1HG2 THR 53 0.840 -12.371 -1.639 450 HG23 THR 53 2HG2 THR 53 0.585 -11.162 -2.897 451 H VAL 54 H VAL 54 2.267 -12.117 0.440 452 HA VAL 54 HA VAL 54 0.970 -14.593 1.346 453 HB VAL 54 HB VAL 54 2.417 -15.868 -0.244 454 HG11 VAL 54 1HG1 VAL 54 -0.030 -14.636 -0.676 455 HG12 VAL 54 2HG1 VAL 54 0.663 -15.960 -1.613 456 HG13 VAL 54 3HG1 VAL 54 0.892 -14.299 -2.142 457 HG21 VAL 54 3HG2 VAL 54 2.773 -13.325 -1.777 458 HG22 VAL 54 1HG2 VAL 54 3.633 -14.856 -1.939 459 HG23 VAL 54 2HG2 VAL 54 3.948 -13.810 -0.554 460 H THR 55 H THR 55 2.635 -16.268 1.986 461 HA THR 55 HA THR 55 5.126 -15.089 2.975 462 HB THR 55 HB THR 55 3.290 -16.713 4.752 463 HG1 THR 55 1HG THR 55 3.648 -13.914 4.540 464 HG21 THR 55 3HG2 THR 55 4.945 -16.765 6.208 465 HG22 THR 55 1HG2 THR 55 5.102 -15.010 6.146 466 HG23 THR 55 2HG2 THR 55 6.009 -16.014 5.014 467 H GLU 56 H GLU 56 6.577 -16.311 1.950 468 HA GLU 56 HA GLU 56 6.733 -19.119 2.555 469 HB2 GLU 56 2HB GLU 56 6.864 -19.778 0.121 470 HB3 GLU 56 1HB GLU 56 5.260 -19.373 0.711 471 HG2 GLU 56 2HG GLU 56 5.942 -16.975 -0.190 472 HG3 GLU 56 1HG GLU 56 6.977 -17.954 -1.232 Start of MODEL 20 1 H1 THR 1 1HT THR 1 21.038 13.028 -5.036 2 H2 THR 1 2HT THR 1 22.625 13.423 -4.522 3 H3 THR 1 3HT THR 1 21.977 14.139 -5.944 4 HA THR 1 HA THR 1 20.761 14.480 -3.298 5 HB THR 1 HB THR 1 22.615 16.467 -4.579 6 HG1 THR 1 1HG THR 1 23.359 14.429 -2.761 7 HG21 THR 1 3HG2 THR 1 21.549 16.032 -1.821 8 HG22 THR 1 1HG2 THR 1 21.476 17.478 -2.828 9 HG23 THR 1 2HG2 THR 1 23.004 16.983 -2.111 10 H THR 2 H THR 2 19.456 14.011 -5.766 11 HA THR 2 HA THR 2 17.884 16.404 -5.932 12 HB THR 2 HB THR 2 19.092 15.516 -8.536 13 HG1 THR 2 1HG THR 2 20.907 16.194 -7.663 14 HG21 THR 2 3HG2 THR 2 17.068 17.045 -8.410 15 HG22 THR 2 1HG2 THR 2 18.438 17.593 -9.376 16 HG23 THR 2 2HG2 THR 2 18.171 18.259 -7.764 17 H TYR 3 H TYR 3 16.686 14.428 -5.042 18 HA TYR 3 HA TYR 3 15.891 12.315 -6.702 19 HB2 TYR 3 2HB TYR 3 13.866 12.240 -5.123 20 HB3 TYR 3 1HB TYR 3 15.461 12.036 -4.406 21 HD1 TYR 3 1HD TYR 3 13.162 14.862 -5.270 22 HD2 TYR 3 2HD TYR 3 15.812 13.142 -2.420 23 HE1 TYR 3 1HE TYR 3 12.698 16.719 -3.727 24 HE2 TYR 3 2HE TYR 3 15.354 14.993 -0.868 25 HH TYR 3 HH TYR 3 14.550 17.251 -0.889 26 H LYS 4 H LYS 4 13.645 11.949 -7.505 27 HA LYS 4 HA LYS 4 12.947 13.956 -9.374 28 HB2 LYS 4 2HB LYS 4 11.112 12.482 -9.997 29 HB3 LYS 4 1HB LYS 4 12.591 11.556 -9.787 30 HG2 LYS 4 2HG LYS 4 11.753 11.064 -7.432 31 HG3 LYS 4 1HG LYS 4 10.196 11.682 -7.988 32 HD2 LYS 4 2HD LYS 4 10.910 9.940 -9.991 33 HD3 LYS 4 1HD LYS 4 11.510 9.133 -8.542 34 HE2 LYS 4 2HE LYS 4 9.091 9.869 -7.662 35 HE3 LYS 4 1HE LYS 4 8.735 9.725 -9.382 36 HZ1 LYS 4 3HZ LYS 4 9.424 7.472 -9.374 37 HZ2 LYS 4 1HZ LYS 4 8.382 7.662 -8.054 38 HZ3 LYS 4 2HZ LYS 4 10.054 7.586 -7.808 39 H LEU 5 H LEU 5 11.616 15.641 -9.209 40 HA LEU 5 HA LEU 5 10.512 16.463 -6.776 41 HB2 LEU 5 2HB LEU 5 9.862 17.292 -9.601 42 HB3 LEU 5 1HB LEU 5 9.245 18.110 -8.181 43 HG LEU 5 HG LEU 5 11.624 18.643 -9.575 44 HD11 LEU 5 1HD1 LEU 5 11.902 20.364 -7.803 45 HD12 LEU 5 2HD1 LEU 5 10.565 19.614 -6.933 46 HD13 LEU 5 3HD1 LEU 5 10.293 20.323 -8.525 47 HD21 LEU 5 3HD2 LEU 5 12.844 16.946 -8.417 48 HD22 LEU 5 1HD2 LEU 5 12.176 17.448 -6.863 49 HD23 LEU 5 2HD2 LEU 5 13.296 18.503 -7.724 50 H ILE 6 H ILE 6 9.217 14.867 -5.876 51 HA ILE 6 HA ILE 6 7.217 13.413 -7.102 52 HB ILE 6 HB ILE 6 7.910 12.787 -4.915 53 HG12 ILE 6 2HG1 ILE 6 5.805 12.540 -3.735 54 HG13 ILE 6 1HG1 ILE 6 5.104 13.884 -4.630 55 HG21 ILE 6 1HG2 ILE 6 7.118 15.575 -4.149 56 HG22 ILE 6 2HG2 ILE 6 8.666 14.760 -3.924 57 HG23 ILE 6 3HG2 ILE 6 7.275 14.295 -2.945 58 HD11 ILE 6 3HD1 ILE 6 5.246 11.100 -5.316 59 HD12 ILE 6 1HD1 ILE 6 5.973 12.098 -6.574 60 HD13 ILE 6 2HD1 ILE 6 4.312 12.398 -6.062 61 H LEU 7 H LEU 7 5.102 13.723 -7.565 62 HA LEU 7 HA LEU 7 4.080 16.464 -7.289 63 HB2 LEU 7 2HB LEU 7 2.988 14.348 -9.130 64 HB3 LEU 7 1HB LEU 7 2.748 16.083 -9.211 65 HG LEU 7 HG LEU 7 5.435 14.790 -9.646 66 HD11 LEU 7 1HD1 LEU 7 3.480 15.654 -11.767 67 HD12 LEU 7 2HD1 LEU 7 3.741 13.979 -11.281 68 HD13 LEU 7 3HD1 LEU 7 5.058 14.903 -12.003 69 HD21 LEU 7 3HD2 LEU 7 5.473 17.079 -11.030 70 HD22 LEU 7 1HD2 LEU 7 5.954 16.973 -9.337 71 HD23 LEU 7 2HD2 LEU 7 4.336 17.533 -9.761 72 H ASN 8 H ASN 8 1.344 15.532 -7.951 73 HA ASN 8 HA ASN 8 0.154 15.466 -5.513 74 HB2 ASN 8 2HB ASN 8 -0.875 13.885 -7.872 75 HB3 ASN 8 1HB ASN 8 -1.819 14.590 -6.560 76 HD21 ASN 8 1HD2 ASN 8 -0.892 14.982 -9.683 77 HD22 ASN 8 2HD2 ASN 8 -1.136 16.685 -9.848 78 H LEU 9 H LEU 9 -0.838 13.854 -4.227 79 HA LEU 9 HA LEU 9 0.851 11.644 -3.662 80 HB2 LEU 9 2HB LEU 9 -0.991 11.054 -2.028 81 HB3 LEU 9 1HB LEU 9 -0.210 12.608 -1.809 82 HG LEU 9 HG LEU 9 -2.633 12.674 -3.481 83 HD11 LEU 9 1HD1 LEU 9 -4.184 12.042 -1.973 84 HD12 LEU 9 2HD1 LEU 9 -3.206 12.544 -0.593 85 HD13 LEU 9 3HD1 LEU 9 -2.875 11.010 -1.397 86 HD21 LEU 9 3HD2 LEU 9 -2.926 14.497 -1.494 87 HD22 LEU 9 1HD2 LEU 9 -2.074 14.800 -3.007 88 HD23 LEU 9 2HD2 LEU 9 -1.171 14.349 -1.561 89 H LYS 10 H LYS 10 -2.114 12.046 -5.454 90 HA LYS 10 HA LYS 10 -3.345 9.697 -5.609 91 HB2 LYS 10 2HB LYS 10 -2.506 11.425 -7.932 92 HB3 LYS 10 1HB LYS 10 -3.643 10.093 -8.083 93 HG2 LYS 10 2HG LYS 10 -5.285 11.462 -7.521 94 HG3 LYS 10 1HG LYS 10 -4.539 11.682 -5.937 95 HD2 LYS 10 2HD LYS 10 -3.024 13.316 -7.534 96 HD3 LYS 10 1HD LYS 10 -4.632 13.483 -8.240 97 HE2 LYS 10 2HE LYS 10 -5.531 14.028 -6.019 98 HE3 LYS 10 1HE LYS 10 -3.910 13.893 -5.339 99 HZ1 LYS 10 3HZ LYS 10 -5.087 16.026 -6.914 100 HZ2 LYS 10 1HZ LYS 10 -3.487 15.638 -7.305 101 HZ3 LYS 10 2HZ LYS 10 -3.886 16.093 -5.727 102 H GLN 11 H GLN 11 -0.332 10.359 -7.407 103 HA GLN 11 HA GLN 11 0.023 8.033 -8.777 104 HB2 GLN 11 2HB GLN 11 2.536 8.334 -8.181 105 HB3 GLN 11 1HB GLN 11 1.717 9.589 -9.099 106 HG2 GLN 11 2HG GLN 11 2.454 11.042 -7.604 107 HG3 GLN 11 1HG GLN 11 1.344 10.314 -6.442 108 HE21 GLN 11 1HE2 GLN 11 2.481 10.365 -4.614 109 HE22 GLN 11 2HE2 GLN 11 4.029 9.633 -4.387 110 H ALA 12 H ALA 12 0.537 8.548 -5.336 111 HA ALA 12 HA ALA 12 1.510 5.873 -4.878 112 HB1 ALA 12 1HB ALA 12 1.955 6.542 -2.738 113 HB2 ALA 12 2HB ALA 12 0.534 7.585 -2.650 114 HB3 ALA 12 3HB ALA 12 1.960 8.110 -3.548 115 H LYS 13 H LYS 13 -1.539 7.595 -4.657 116 HA LYS 13 HA LYS 13 -2.966 5.748 -3.114 117 HB2 LYS 13 2HB LYS 13 -4.369 7.486 -3.304 118 HB3 LYS 13 1HB LYS 13 -3.553 8.079 -4.742 119 HG2 LYS 13 2HG LYS 13 -5.510 5.807 -4.867 120 HG3 LYS 13 1HG LYS 13 -6.030 7.493 -4.922 121 HD2 LYS 13 2HD LYS 13 -3.974 7.410 -6.748 122 HD3 LYS 13 1HD LYS 13 -4.772 5.854 -6.977 123 HE2 LYS 13 2HE LYS 13 -5.944 7.219 -8.429 124 HE3 LYS 13 1HE LYS 13 -6.953 7.261 -6.983 125 HZ1 LYS 13 3HZ LYS 13 -5.228 9.317 -6.599 126 HZ2 LYS 13 1HZ LYS 13 -6.808 9.462 -7.190 127 HZ3 LYS 13 2HZ LYS 13 -5.506 9.383 -8.267 128 H GLU 14 H GLU 14 -2.191 5.891 -6.528 129 HA GLU 14 HA GLU 14 -3.826 3.635 -7.242 130 HB2 GLU 14 2HB GLU 14 -3.334 5.356 -8.903 131 HB3 GLU 14 1HB GLU 14 -1.611 5.051 -8.743 132 HG2 GLU 14 2HG GLU 14 -2.489 4.037 -10.758 133 HG3 GLU 14 1HG GLU 14 -1.917 2.805 -9.635 134 H GLU 15 H GLU 15 -0.531 4.224 -6.259 135 HA GLU 15 HA GLU 15 0.758 1.899 -7.025 136 HB2 GLU 15 2HB GLU 15 1.085 3.921 -4.912 137 HB3 GLU 15 1HB GLU 15 1.794 2.358 -4.531 138 HG2 GLU 15 2HG GLU 15 2.369 4.049 -6.950 139 HG3 GLU 15 1HG GLU 15 3.418 3.801 -5.550 140 H ALA 16 H ALA 16 -1.114 2.514 -4.071 141 HA ALA 16 HA ALA 16 -0.894 -0.166 -3.107 142 HB1 ALA 16 1HB ALA 16 -2.861 1.960 -2.280 143 HB2 ALA 16 2HB ALA 16 -1.224 1.805 -1.642 144 HB3 ALA 16 3HB ALA 16 -2.403 0.522 -1.367 145 H ILE 17 H ILE 17 -3.404 1.685 -4.791 146 HA ILE 17 HA ILE 17 -5.452 -0.196 -4.694 147 HB ILE 17 HB ILE 17 -4.773 1.962 -6.678 148 HG12 ILE 17 2HG1 ILE 17 -7.056 1.590 -4.730 149 HG13 ILE 17 1HG1 ILE 17 -5.643 2.612 -4.482 150 HG21 ILE 17 1HG2 ILE 17 -5.851 0.239 -8.014 151 HG22 ILE 17 2HG2 ILE 17 -6.929 1.616 -7.796 152 HG23 ILE 17 3HG2 ILE 17 -7.182 0.145 -6.859 153 HD11 ILE 17 3HD1 ILE 17 -7.685 3.839 -5.159 154 HD12 ILE 17 1HD1 ILE 17 -7.629 2.994 -6.706 155 HD13 ILE 17 2HD1 ILE 17 -6.315 4.077 -6.243 156 H LYS 18 H LYS 18 -2.885 0.218 -7.120 157 HA LYS 18 HA LYS 18 -3.676 -1.860 -8.827 158 HB2 LYS 18 2HB LYS 18 -1.454 -0.070 -8.577 159 HB3 LYS 18 1HB LYS 18 -0.842 -1.690 -8.872 160 HG2 LYS 18 2HG LYS 18 -1.533 -1.693 -10.995 161 HG3 LYS 18 1HG LYS 18 -3.083 -0.953 -10.592 162 HD2 LYS 18 2HD LYS 18 -2.370 1.064 -11.223 163 HD3 LYS 18 1HD LYS 18 -0.905 0.919 -10.249 164 HE2 LYS 18 2HE LYS 18 -0.363 1.221 -12.606 165 HE3 LYS 18 1HE LYS 18 0.162 -0.362 -12.034 166 HZ1 LYS 18 3HZ LYS 18 -1.298 -1.422 -13.358 167 HZ2 LYS 18 1HZ LYS 18 -1.219 0.001 -14.271 168 HZ3 LYS 18 2HZ LYS 18 -2.501 -0.242 -13.194 169 H GLU 19 H GLU 19 -1.435 -1.844 -6.074 170 HA GLU 19 HA GLU 19 -0.750 -4.595 -6.308 171 HB2 GLU 19 2HB GLU 19 -0.549 -2.899 -3.821 172 HB3 GLU 19 1HB GLU 19 0.414 -4.313 -4.241 173 HG2 GLU 19 2HG GLU 19 0.533 -2.070 -6.146 174 HG3 GLU 19 1HG GLU 19 1.239 -1.774 -4.558 175 H LEU 20 H LEU 20 -3.193 -2.812 -4.512 176 HA LEU 20 HA LEU 20 -3.972 -4.948 -2.835 177 HB2 LEU 20 2HB LEU 20 -4.933 -2.262 -3.453 178 HB3 LEU 20 1HB LEU 20 -6.224 -3.384 -3.075 179 HG LEU 20 HG LEU 20 -5.013 -3.927 -0.930 180 HD11 LEU 20 1HD1 LEU 20 -3.135 -2.853 -0.262 181 HD12 LEU 20 2HD1 LEU 20 -3.500 -1.397 -1.191 182 HD13 LEU 20 3HD1 LEU 20 -2.854 -2.823 -2.004 183 HD21 LEU 20 3HD2 LEU 20 -6.925 -2.389 -1.044 184 HD22 LEU 20 1HD2 LEU 20 -5.815 -1.051 -1.330 185 HD23 LEU 20 2HD2 LEU 20 -5.767 -1.920 0.197 186 H VAL 21 H VAL 21 -5.002 -3.916 -6.026 187 HA VAL 21 HA VAL 21 -7.235 -5.694 -6.161 188 HB VAL 21 HB VAL 21 -5.743 -4.442 -8.471 189 HG11 VAL 21 1HG1 VAL 21 -8.647 -4.890 -8.596 190 HG12 VAL 21 2HG1 VAL 21 -7.657 -6.349 -8.570 191 HG13 VAL 21 3HG1 VAL 21 -7.404 -5.134 -9.824 192 HG21 VAL 21 3HG2 VAL 21 -6.957 -3.067 -6.424 193 HG22 VAL 21 1HG2 VAL 21 -8.234 -3.172 -7.636 194 HG23 VAL 21 2HG2 VAL 21 -6.678 -2.452 -8.053 195 H ASP 22 H ASP 22 -3.841 -5.902 -6.918 196 HA ASP 22 HA ASP 22 -3.989 -8.260 -8.504 197 HB2 ASP 22 2HB ASP 22 -2.086 -6.438 -8.225 198 HB3 ASP 22 1HB ASP 22 -1.504 -7.570 -7.008 199 H ALA 23 H ALA 23 -3.908 -7.685 -5.073 200 HA ALA 23 HA ALA 23 -3.920 -10.598 -4.666 201 HB1 ALA 23 1HB ALA 23 -2.416 -8.889 -2.723 202 HB2 ALA 23 2HB ALA 23 -1.633 -9.473 -4.193 203 HB3 ALA 23 3HB ALA 23 -2.287 -10.621 -3.027 204 H GLY 24 H GLY 24 -5.110 -11.351 -2.925 205 HA2 GLY 24 2HA GLY 24 -7.299 -9.709 -2.119 206 HA3 GLY 24 1HA GLY 24 -6.953 -11.338 -1.541 207 H THR 25 H THR 25 -5.644 -8.050 -1.250 208 HA THR 25 HA THR 25 -4.680 -8.588 1.419 209 HB THR 25 HB THR 25 -3.151 -7.255 0.441 210 HG1 THR 25 1HG THR 25 -3.559 -5.019 1.022 211 HG21 THR 25 3HG2 THR 25 -3.978 -6.930 -1.700 212 HG22 THR 25 1HG2 THR 25 -3.753 -5.308 -1.052 213 HG23 THR 25 2HG2 THR 25 -5.367 -6.010 -1.125 214 H ALA 26 H ALA 26 -6.166 -5.512 0.570 215 HA ALA 26 HA ALA 26 -8.658 -5.824 1.767 216 HB1 ALA 26 1HB ALA 26 -6.789 -6.017 3.720 217 HB2 ALA 26 2HB ALA 26 -8.438 -5.445 3.974 218 HB3 ALA 26 3HB ALA 26 -7.122 -4.284 3.745 219 H GLU 27 H GLU 27 -9.802 -4.236 0.924 220 HA GLU 27 HA GLU 27 -8.864 -2.146 -0.574 221 HB2 GLU 27 2HB GLU 27 -11.438 -2.469 0.950 222 HB3 GLU 27 1HB GLU 27 -11.133 -1.060 -0.063 223 HG2 GLU 27 2HG GLU 27 -12.404 -3.187 -0.962 224 HG3 GLU 27 1HG GLU 27 -11.361 -2.225 -1.993 225 H LYS 28 H LYS 28 -9.796 -2.007 2.839 226 HA LYS 28 HA LYS 28 -9.688 0.581 3.488 227 HB2 LYS 28 2HB LYS 28 -8.086 -0.533 5.505 228 HB3 LYS 28 1HB LYS 28 -9.825 -0.304 5.519 229 HG2 LYS 28 2HG LYS 28 -8.705 -2.747 4.234 230 HG3 LYS 28 1HG LYS 28 -8.768 -2.644 5.994 231 HD2 LYS 28 2HD LYS 28 -11.035 -2.742 6.056 232 HD3 LYS 28 1HD LYS 28 -11.222 -1.869 4.535 233 HE2 LYS 28 2HE LYS 28 -10.846 -3.793 3.254 234 HE3 LYS 28 1HE LYS 28 -10.138 -4.664 4.612 235 HZ1 LYS 28 3HZ LYS 28 -12.900 -3.796 4.926 236 HZ2 LYS 28 1HZ LYS 28 -12.160 -5.239 5.412 237 HZ3 LYS 28 2HZ LYS 28 -12.631 -5.028 3.798 238 H TYR 29 H TYR 29 -6.793 -1.354 2.838 239 HA TYR 29 HA TYR 29 -4.894 0.508 3.658 240 HB2 TYR 29 2HB TYR 29 -4.559 -1.410 1.339 241 HB3 TYR 29 1HB TYR 29 -3.278 -0.647 2.282 242 HD1 TYR 29 2HD TYR 29 -3.743 -1.004 4.968 243 HD2 TYR 29 1HD TYR 29 -4.863 -3.652 1.831 244 HE1 TYR 29 2HE TYR 29 -3.763 -2.872 6.562 245 HE2 TYR 29 1HE TYR 29 -4.891 -5.523 3.420 246 HH TYR 29 HH TYR 29 -5.247 -5.634 6.136 247 H PHE 30 H PHE 30 -6.230 0.137 0.334 248 HA PHE 30 HA PHE 30 -4.760 2.336 -0.657 249 HB2 PHE 30 2HB PHE 30 -6.172 2.271 -2.622 250 HB3 PHE 30 1HB PHE 30 -5.709 0.642 -2.163 251 HD1 PHE 30 1HD PHE 30 -8.510 2.989 -1.289 252 HD2 PHE 30 2HD PHE 30 -7.326 -0.900 -2.550 253 HE1 PHE 30 1HE PHE 30 -10.866 2.302 -1.369 254 HE2 PHE 30 2HE PHE 30 -9.681 -1.592 -2.631 255 HZ PHE 30 HZ PHE 30 -11.457 0.008 -2.040 256 H LYS 31 H LYS 31 -7.664 2.142 1.190 257 HA LYS 31 HA LYS 31 -8.523 4.826 0.516 258 HB2 LYS 31 2HB LYS 31 -9.641 2.545 1.913 259 HB3 LYS 31 1HB LYS 31 -9.857 4.023 2.841 260 HG2 LYS 31 2HG LYS 31 -10.524 4.656 0.187 261 HG3 LYS 31 1HG LYS 31 -11.285 3.104 0.541 262 HD2 LYS 31 2HD LYS 31 -12.911 4.503 1.323 263 HD3 LYS 31 1HD LYS 31 -11.935 4.353 2.787 264 HE2 LYS 31 2HE LYS 31 -12.405 6.665 2.496 265 HE3 LYS 31 1HE LYS 31 -10.713 6.423 2.064 266 HZ1 LYS 31 3HZ LYS 31 -11.876 6.110 -0.305 267 HZ2 LYS 31 1HZ LYS 31 -11.319 7.602 0.265 268 HZ3 LYS 31 2HZ LYS 31 -12.957 7.204 0.398 269 H LEU 32 H LEU 32 -6.773 3.177 3.044 270 HA LEU 32 HA LEU 32 -6.728 5.373 4.867 271 HB2 LEU 32 2HB LEU 32 -5.903 2.645 4.824 272 HB3 LEU 32 1HB LEU 32 -4.523 3.625 5.309 273 HG LEU 32 HG LEU 32 -7.231 3.758 6.640 274 HD11 LEU 32 1HD1 LEU 32 -6.442 1.593 7.091 275 HD12 LEU 32 2HD1 LEU 32 -5.998 2.556 8.501 276 HD13 LEU 32 3HD1 LEU 32 -4.784 2.144 7.291 277 HD21 LEU 32 3HD2 LEU 32 -6.251 5.139 8.231 278 HD22 LEU 32 1HD2 LEU 32 -5.557 5.720 6.717 279 HD23 LEU 32 2HD2 LEU 32 -4.613 4.670 7.773 280 H ILE 33 H ILE 33 -4.620 4.195 2.313 281 HA ILE 33 HA ILE 33 -2.488 6.006 2.938 282 HB ILE 33 HB ILE 33 -1.613 5.325 0.667 283 HG12 ILE 33 2HG1 ILE 33 -3.098 2.905 0.437 284 HG13 ILE 33 1HG1 ILE 33 -4.246 4.238 0.459 285 HG21 ILE 33 1HG2 ILE 33 -2.081 2.864 2.255 286 HG22 ILE 33 2HG2 ILE 33 -1.285 4.224 3.046 287 HG23 ILE 33 3HG2 ILE 33 -0.584 3.516 1.591 288 HD11 ILE 33 3HD1 ILE 33 -2.724 5.298 -1.310 289 HD12 ILE 33 1HD1 ILE 33 -3.768 3.960 -1.787 290 HD13 ILE 33 2HD1 ILE 33 -2.054 3.679 -1.486 291 H ALA 34 H ALA 34 -5.034 5.910 0.456 292 HA ALA 34 HA ALA 34 -4.281 8.164 -0.990 293 HB1 ALA 34 1HB ALA 34 -6.381 8.094 -1.977 294 HB2 ALA 34 2HB ALA 34 -7.165 7.521 -0.504 295 HB3 ALA 34 3HB ALA 34 -6.146 6.429 -1.443 296 H ASN 35 H ASN 35 -5.839 7.864 2.102 297 HA ASN 35 HA ASN 35 -6.771 10.564 2.249 298 HB2 ASN 35 2HB ASN 35 -7.897 8.907 3.573 299 HB3 ASN 35 1HB ASN 35 -6.388 8.412 4.343 300 HD21 ASN 35 1HD2 ASN 35 -9.148 10.071 4.806 301 HD22 ASN 35 2HD2 ASN 35 -8.640 11.167 6.043 302 H ALA 36 H ALA 36 -3.780 8.935 2.916 303 HA ALA 36 HA ALA 36 -2.611 10.731 4.716 304 HB1 ALA 36 1HB ALA 36 -1.607 8.597 4.345 305 HB2 ALA 36 2HB ALA 36 -0.449 9.844 3.884 306 HB3 ALA 36 3HB ALA 36 -1.342 8.968 2.642 307 H LYS 37 H LYS 37 -1.498 12.618 4.472 308 HA LYS 37 HA LYS 37 -1.792 13.959 1.901 309 HB2 LYS 37 2HB LYS 37 -1.959 14.798 4.585 310 HB3 LYS 37 1HB LYS 37 -0.513 15.572 3.936 311 HG2 LYS 37 2HG LYS 37 -3.146 15.672 2.498 312 HG3 LYS 37 1HG LYS 37 -2.712 16.838 3.755 313 HD2 LYS 37 2HD LYS 37 -0.863 17.631 2.502 314 HD3 LYS 37 1HD LYS 37 -0.963 16.288 1.367 315 HE2 LYS 37 2HE LYS 37 -3.466 17.668 1.420 316 HE3 LYS 37 1HE LYS 37 -2.166 18.832 1.170 317 HZ1 LYS 37 3HZ LYS 37 -2.141 16.362 -0.403 318 HZ2 LYS 37 1HZ LYS 37 -1.597 17.912 -0.815 319 HZ3 LYS 37 2HZ LYS 37 -3.253 17.569 -0.823 320 H THR 38 H THR 38 0.344 11.867 2.817 321 HA THR 38 HA THR 38 2.585 13.306 1.588 322 HB THR 38 HB THR 38 4.164 12.301 3.125 323 HG1 THR 38 1HG THR 38 3.391 11.078 4.895 324 HG21 THR 38 3HG2 THR 38 1.891 13.602 4.602 325 HG22 THR 38 1HG2 THR 38 3.301 14.399 3.905 326 HG23 THR 38 2HG2 THR 38 3.493 13.302 5.273 327 H VAL 39 H VAL 39 3.753 12.150 0.136 328 HA VAL 39 HA VAL 39 2.584 9.814 -0.961 329 HB VAL 39 HB VAL 39 4.528 9.765 -2.469 330 HG11 VAL 39 1HG1 VAL 39 2.537 11.359 -2.705 331 HG12 VAL 39 2HG1 VAL 39 3.981 11.709 -3.653 332 HG13 VAL 39 3HG1 VAL 39 3.650 12.621 -2.181 333 HG21 VAL 39 3HG2 VAL 39 6.315 11.359 -2.295 334 HG22 VAL 39 1HG2 VAL 39 6.199 10.488 -0.767 335 HG23 VAL 39 2HG2 VAL 39 5.558 12.125 -0.899 336 H GLU 40 H GLU 40 5.358 10.372 1.141 337 HA GLU 40 HA GLU 40 6.488 7.811 1.022 338 HB2 GLU 40 2HB GLU 40 6.483 9.548 3.483 339 HB3 GLU 40 1HB GLU 40 7.712 8.400 2.969 340 HG2 GLU 40 2HG GLU 40 7.827 10.014 0.878 341 HG3 GLU 40 1HG GLU 40 7.192 11.170 2.049 342 H GLY 41 H GLY 41 3.666 8.990 2.644 343 HA2 GLY 41 2HA GLY 41 3.476 6.841 4.542 344 HA3 GLY 41 1HA GLY 41 2.224 8.019 4.167 345 H VAL 42 H VAL 42 2.036 7.576 1.414 346 HA VAL 42 HA VAL 42 0.316 5.302 1.397 347 HB VAL 42 HB VAL 42 1.238 7.096 -0.847 348 HG11 VAL 42 1HG1 VAL 42 -1.020 6.094 -1.808 349 HG12 VAL 42 2HG1 VAL 42 -0.546 4.726 -0.801 350 HG13 VAL 42 3HG1 VAL 42 0.535 5.303 -2.065 351 HG21 VAL 42 3HG2 VAL 42 -0.121 8.553 0.160 352 HG22 VAL 42 1HG2 VAL 42 -0.808 7.316 1.214 353 HG23 VAL 42 2HG2 VAL 42 -1.442 7.536 -0.418 354 H TRP 43 H TRP 43 3.403 6.072 -0.207 355 HA TRP 43 HA TRP 43 3.600 3.632 -1.598 356 HB2 TRP 43 2HB TRP 43 5.607 5.726 -0.790 357 HB3 TRP 43 1HB TRP 43 6.151 4.240 -1.563 358 HD1 TRP 43 HD TRP 43 4.111 7.421 -2.294 359 HE1 TRP 43 1HE TRP 43 3.924 7.707 -4.835 360 HE3 TRP 43 3HE TRP 43 6.134 2.959 -3.776 361 HZ2 TRP 43 2HZ TRP 43 4.535 6.252 -7.162 362 HZ3 TRP 43 3HZ TRP 43 6.274 2.483 -6.188 363 HH2 TRP 43 HH TRP 43 5.495 4.099 -7.843 364 H THR 44 H THR 44 4.377 4.521 1.687 365 HA THR 44 HA THR 44 6.013 2.264 2.273 366 HB THR 44 HB THR 44 5.250 2.854 4.695 367 HG1 THR 44 1HG THR 44 3.727 4.277 4.736 368 HG21 THR 44 3HG2 THR 44 7.420 3.496 4.124 369 HG22 THR 44 1HG2 THR 44 6.635 4.980 4.668 370 HG23 THR 44 2HG2 THR 44 6.854 4.679 2.945 371 H LEU 45 H LEU 45 2.622 3.029 3.067 372 HA LEU 45 HA LEU 45 1.931 0.572 4.177 373 HB2 LEU 45 2HB LEU 45 0.561 2.927 3.231 374 HB3 LEU 45 1HB LEU 45 -0.336 1.489 2.783 375 HD11 LEU 45 3HD2 LEU 45 -0.557 0.265 6.316 376 HD12 LEU 45 1HD2 LEU 45 0.194 -0.290 4.820 377 HD13 LEU 45 2HD2 LEU 45 -1.519 0.132 4.843 378 HD21 LEU 45 1HD1 LEU 45 1.381 1.615 6.315 379 HD22 LEU 45 2HD1 LEU 45 0.212 2.881 6.690 380 HD23 LEU 45 3HD1 LEU 45 1.403 3.130 5.413 381 H LYS 46 H LYS 46 2.071 1.622 0.828 382 HA LYS 46 HA LYS 46 0.795 -0.585 -0.354 383 HB2 LYS 46 2HB LYS 46 1.265 1.494 -1.575 384 HB3 LYS 46 1HB LYS 46 2.990 1.174 -1.469 385 HG2 LYS 46 2HG LYS 46 1.969 -1.122 -2.615 386 HG3 LYS 46 1HG LYS 46 1.027 0.176 -3.349 387 HD2 LYS 46 2HD LYS 46 2.763 0.306 -4.775 388 HD3 LYS 46 1HD LYS 46 3.523 1.223 -3.472 389 HE2 LYS 46 2HE LYS 46 5.082 -0.340 -3.195 390 HE3 LYS 46 1HE LYS 46 3.863 -1.606 -3.054 391 HZ1 LYS 46 3HZ LYS 46 5.323 -0.690 -5.430 392 HZ2 LYS 46 1HZ LYS 46 3.771 -1.336 -5.628 393 HZ3 LYS 46 2HZ LYS 46 4.991 -2.266 -4.914 394 H ASP 47 H ASP 47 4.138 0.011 0.591 395 HA ASP 47 HA ASP 47 5.318 -2.253 -0.555 396 HB2 ASP 47 2HB ASP 47 6.066 -0.818 2.006 397 HB3 ASP 47 1HB ASP 47 7.098 -1.948 1.134 398 H GLU 48 H GLU 48 3.472 -1.809 2.381 399 HA GLU 48 HA GLU 48 4.086 -4.338 3.542 400 HB2 GLU 48 2HB GLU 48 2.185 -2.130 4.068 401 HB3 GLU 48 1HB GLU 48 1.688 -3.717 4.639 402 HG2 GLU 48 2HG GLU 48 3.502 -3.897 6.089 403 HG3 GLU 48 1HG GLU 48 4.401 -2.620 5.271 404 H ILE 49 H ILE 49 1.702 -3.164 1.279 405 HA ILE 49 HA ILE 49 -0.074 -5.364 1.323 406 HB ILE 49 HB ILE 49 0.490 -3.649 -1.090 407 HG12 ILE 49 2HG1 ILE 49 0.198 -2.109 0.738 408 HG13 ILE 49 1HG1 ILE 49 -1.291 -2.134 -0.193 409 HG21 ILE 49 1HG2 ILE 49 -2.205 -4.578 -0.273 410 HG22 ILE 49 2HG2 ILE 49 -1.094 -5.755 -0.970 411 HG23 ILE 49 3HG2 ILE 49 -1.541 -4.313 -1.883 412 HD11 ILE 49 3HD1 ILE 49 -2.369 -3.489 1.456 413 HD12 ILE 49 1HD1 ILE 49 -1.624 -2.107 2.259 414 HD13 ILE 49 2HD1 ILE 49 -0.857 -3.693 2.339 415 H LYS 50 H LYS 50 2.784 -4.639 -0.651 416 HA LYS 50 HA LYS 50 2.567 -6.943 -2.297 417 HB2 LYS 50 2HB LYS 50 3.842 -4.880 -2.891 418 HB3 LYS 50 1HB LYS 50 5.046 -5.323 -1.688 419 HG2 LYS 50 2HG LYS 50 5.891 -7.023 -2.952 420 HG3 LYS 50 1HG LYS 50 4.359 -7.317 -3.779 421 HD2 LYS 50 2HD LYS 50 4.651 -5.263 -5.067 422 HD3 LYS 50 1HD LYS 50 6.168 -4.942 -4.224 423 HE2 LYS 50 2HE LYS 50 7.089 -7.036 -5.129 424 HE3 LYS 50 1HE LYS 50 5.580 -7.310 -5.999 425 HZ1 LYS 50 3HZ LYS 50 6.692 -6.270 -7.637 426 HZ2 LYS 50 1HZ LYS 50 7.751 -5.472 -6.586 427 HZ3 LYS 50 2HZ LYS 50 6.193 -4.865 -6.839 428 H THR 51 H THR 51 4.087 -6.311 0.796 429 HA THR 51 HA THR 51 5.589 -8.767 0.802 430 HB THR 51 HB THR 51 5.510 -7.970 3.422 431 HG1 THR 51 1HG THR 51 4.223 -6.162 2.842 432 HG21 THR 51 3HG2 THR 51 7.673 -7.404 3.163 433 HG22 THR 51 1HG2 THR 51 7.359 -6.410 1.738 434 HG23 THR 51 2HG2 THR 51 7.449 -8.168 1.592 435 H PHE 52 H PHE 52 2.599 -7.582 2.276 436 HA PHE 52 HA PHE 52 2.091 -10.190 3.453 437 HB2 PHE 52 2HB PHE 52 0.936 -9.054 4.999 438 HB3 PHE 52 1HB PHE 52 1.501 -7.584 4.222 439 HD1 PHE 52 1HD PHE 52 -1.304 -9.920 4.539 440 HD2 PHE 52 2HD PHE 52 0.030 -6.218 2.939 441 HE1 PHE 52 1HE PHE 52 -3.630 -9.306 4.047 442 HE2 PHE 52 2HE PHE 52 -2.298 -5.582 2.431 443 HZ PHE 52 HZ PHE 52 -4.129 -7.140 2.987 444 H THR 53 H THR 53 1.874 -9.174 0.487 445 HA THR 53 HA THR 53 -0.735 -9.491 -0.406 446 HB THR 53 HB THR 53 1.962 -9.698 -1.613 447 HG1 THR 53 1HG THR 53 -0.427 -8.497 -2.542 448 HG21 THR 53 3HG2 THR 53 -0.373 -11.118 -2.800 449 HG22 THR 53 1HG2 THR 53 1.336 -11.553 -2.803 450 HG23 THR 53 2HG2 THR 53 0.754 -10.259 -3.849 451 H VAL 54 H VAL 54 1.812 -11.991 -0.543 452 HA VAL 54 HA VAL 54 0.161 -14.127 -1.201 453 HB VAL 54 HB VAL 54 1.944 -15.580 -0.186 454 HG11 VAL 54 1HG1 VAL 54 1.979 -14.740 -2.532 455 HG12 VAL 54 2HG1 VAL 54 3.577 -15.071 -1.864 456 HG13 VAL 54 3HG1 VAL 54 3.001 -13.408 -1.990 457 HG21 VAL 54 3HG2 VAL 54 2.529 -13.832 1.568 458 HG22 VAL 54 1HG2 VAL 54 3.440 -13.017 0.298 459 HG23 VAL 54 2HG2 VAL 54 3.874 -14.653 0.783 460 H THR 55 H THR 55 -0.645 -15.881 0.050 461 HA THR 55 HA THR 55 -1.379 -15.095 2.795 462 HB THR 55 HB THR 55 -2.831 -16.956 0.907 463 HG1 THR 55 1HG THR 55 -3.354 -15.052 0.129 464 HG21 THR 55 3HG2 THR 55 -4.720 -16.417 2.609 465 HG22 THR 55 1HG2 THR 55 -3.376 -16.091 3.706 466 HG23 THR 55 2HG2 THR 55 -3.547 -17.685 2.967 467 H GLU 56 H GLU 56 -0.912 -16.413 4.466 468 HA GLU 56 HA GLU 56 0.036 -18.098 5.643 469 HB2 GLU 56 2HB GLU 56 -1.205 -19.518 3.337 470 HB3 GLU 56 1HB GLU 56 -0.120 -20.422 4.378 471 HG2 GLU 56 2HG GLU 56 -2.188 -18.826 5.743 472 HG3 GLU 56 1HG GLU 56 -2.760 -20.192 4.792
Contact the webmaster for help, if required. Wednesday, June 5, 2024 5:41:30 AM GMT (wattos1)