NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534125 | 2lhe | 17841 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 1HT THR 1 3.617 -14.158 2.904 2 H2 THR 1 2HT THR 1 2.568 -15.508 2.751 3 H3 THR 1 3HT THR 1 1.963 -13.917 2.526 4 HA THR 1 HA THR 1 3.833 -15.422 0.821 5 HB THR 1 HB THR 1 1.182 -14.116 0.185 6 HG1 THR 1 1HG THR 1 0.326 -16.238 0.366 7 HG21 THR 1 3HG2 THR 1 1.477 -16.277 -1.450 8 HG22 THR 1 1HG2 THR 1 3.121 -15.647 -1.347 9 HG23 THR 1 2HG2 THR 1 1.810 -14.603 -1.891 10 H THR 2 H THR 2 4.679 -14.290 -0.985 11 HA THR 2 HA THR 2 5.607 -11.679 -0.397 12 HB THR 2 HB THR 2 5.624 -13.130 -3.055 13 HG1 THR 2 1HG THR 2 6.945 -14.405 -2.069 14 HG21 THR 2 3HG2 THR 2 7.729 -11.820 -3.402 15 HG22 THR 2 1HG2 THR 2 7.259 -10.835 -2.020 16 HG23 THR 2 2HG2 THR 2 6.238 -10.881 -3.456 17 H TYR 3 H TYR 3 4.151 -10.082 -0.241 18 HA TYR 3 HA TYR 3 1.968 -9.841 -2.129 19 HB2 TYR 3 2HB TYR 3 2.827 -8.296 0.303 20 HB3 TYR 3 1HB TYR 3 1.610 -7.655 -0.798 21 HD1 TYR 3 1HD TYR 3 1.780 -11.258 -0.237 22 HD2 TYR 3 2HD TYR 3 -0.013 -7.602 0.994 23 HE1 TYR 3 1HE TYR 3 0.021 -12.520 0.930 24 HE2 TYR 3 2HE TYR 3 -1.780 -8.860 2.164 25 HH TYR 3 HH TYR 3 -2.792 -11.407 1.780 26 H LYS 4 H LYS 4 1.558 -7.801 -3.270 27 HA LYS 4 HA LYS 4 3.993 -6.316 -3.962 28 HB2 LYS 4 2HB LYS 4 3.007 -8.230 -5.629 29 HB3 LYS 4 1HB LYS 4 2.148 -6.806 -6.206 30 HG2 LYS 4 2HG LYS 4 4.105 -5.722 -6.833 31 HG3 LYS 4 1HG LYS 4 5.113 -6.753 -5.815 32 HD2 LYS 4 2HD LYS 4 5.433 -7.377 -8.118 33 HD3 LYS 4 1HD LYS 4 4.557 -8.668 -7.293 34 HE2 LYS 4 2HE LYS 4 3.667 -8.113 -9.554 35 HE3 LYS 4 1HE LYS 4 2.483 -7.968 -8.255 36 HZ1 LYS 4 3HZ LYS 4 2.887 -6.089 -10.087 37 HZ2 LYS 4 1HZ LYS 4 3.962 -5.553 -8.896 38 HZ3 LYS 4 2HZ LYS 4 2.324 -5.755 -8.527 39 H LEU 5 H LEU 5 3.720 -4.173 -4.146 40 HA LEU 5 HA LEU 5 0.962 -3.123 -4.092 41 HB2 LEU 5 2HB LEU 5 2.324 -2.759 -1.953 42 HB3 LEU 5 1HB LEU 5 3.397 -1.773 -2.953 43 HG LEU 5 HG LEU 5 1.719 -0.148 -3.365 44 HD11 LEU 5 1HD1 LEU 5 -0.086 -2.285 -2.744 45 HD12 LEU 5 2HD1 LEU 5 -0.395 -0.756 -3.561 46 HD13 LEU 5 3HD1 LEU 5 -0.481 -0.850 -1.801 47 HD21 LEU 5 3HD2 LEU 5 2.620 0.493 -1.381 48 HD22 LEU 5 1HD2 LEU 5 2.140 -0.988 -0.555 49 HD23 LEU 5 2HD2 LEU 5 0.946 0.270 -0.873 50 H ILE 6 H ILE 6 0.470 -1.366 -5.287 51 HA ILE 6 HA ILE 6 2.595 -0.120 -6.825 52 HB ILE 6 HB ILE 6 0.031 -1.057 -8.132 53 HG12 ILE 6 2HG1 ILE 6 1.510 -2.954 -7.590 54 HG13 ILE 6 1HG1 ILE 6 1.407 -2.690 -9.328 55 HG21 ILE 6 1HG2 ILE 6 1.537 1.043 -8.861 56 HG22 ILE 6 2HG2 ILE 6 0.654 0.035 -10.007 57 HG23 ILE 6 3HG2 ILE 6 2.373 -0.244 -9.730 58 HD11 ILE 6 3HD1 ILE 6 3.599 -2.432 -9.478 59 HD12 ILE 6 1HD1 ILE 6 3.708 -2.928 -7.790 60 HD13 ILE 6 2HD1 ILE 6 3.604 -1.215 -8.201 61 H LEU 7 H LEU 7 2.442 1.980 -6.381 62 HA LEU 7 HA LEU 7 -0.172 3.068 -5.640 63 HB2 LEU 7 2HB LEU 7 2.490 4.433 -5.319 64 HB3 LEU 7 1HB LEU 7 0.969 4.835 -4.535 65 HG LEU 7 HG LEU 7 1.140 2.527 -3.422 66 HD11 LEU 7 1HD1 LEU 7 3.850 2.243 -3.209 67 HD12 LEU 7 2HD1 LEU 7 3.646 2.636 -4.916 68 HD13 LEU 7 3HD1 LEU 7 2.796 1.257 -4.223 69 HD21 LEU 7 3HD2 LEU 7 2.737 3.430 -1.708 70 HD22 LEU 7 1HD2 LEU 7 1.402 4.505 -2.129 71 HD23 LEU 7 2HD2 LEU 7 3.011 4.798 -2.787 72 H ASN 8 H ASN 8 -1.223 4.490 -6.849 73 HA ASN 8 HA ASN 8 0.227 5.645 -9.149 74 HB2 ASN 8 2HB ASN 8 -2.215 4.077 -9.060 75 HB3 ASN 8 1HB ASN 8 -2.482 5.641 -9.834 76 HD21 ASN 8 1HD2 ASN 8 -1.181 6.193 -11.653 77 HD22 ASN 8 2HD2 ASN 8 -0.497 4.955 -12.643 78 H LEU 9 H LEU 9 0.036 7.772 -9.540 79 HA LEU 9 HA LEU 9 -1.859 9.303 -7.881 80 HB2 LEU 9 2HB LEU 9 1.070 9.929 -8.381 81 HB3 LEU 9 1HB LEU 9 -0.061 11.123 -7.761 82 HG LEU 9 HG LEU 9 -0.507 9.333 -5.901 83 HD11 LEU 9 1HD1 LEU 9 2.328 8.594 -6.544 84 HD12 LEU 9 2HD1 LEU 9 0.967 7.660 -7.165 85 HD13 LEU 9 3HD1 LEU 9 1.205 7.820 -5.427 86 HD21 LEU 9 3HD2 LEU 9 0.342 11.234 -5.023 87 HD22 LEU 9 1HD2 LEU 9 1.631 11.344 -6.222 88 HD23 LEU 9 2HD2 LEU 9 1.789 10.239 -4.857 89 H LYS 10 H LYS 10 0.344 9.513 -10.673 90 HA LYS 10 HA LYS 10 -1.767 10.654 -12.281 91 HB2 LYS 10 2HB LYS 10 0.515 12.264 -11.256 92 HB3 LYS 10 1HB LYS 10 0.034 12.517 -12.931 93 HG2 LYS 10 2HG LYS 10 -1.668 13.780 -12.299 94 HG3 LYS 10 1HG LYS 10 -2.292 12.492 -11.260 95 HD2 LYS 10 2HD LYS 10 -1.181 13.286 -9.392 96 HD3 LYS 10 1HD LYS 10 0.015 14.163 -10.346 97 HE2 LYS 10 2HE LYS 10 -2.901 14.900 -10.170 98 HE3 LYS 10 1HE LYS 10 -1.628 15.630 -9.193 99 HZ1 LYS 10 3HZ LYS 10 -1.842 17.089 -10.943 100 HZ2 LYS 10 1HZ LYS 10 -2.104 15.870 -12.089 101 HZ3 LYS 10 2HZ LYS 10 -0.556 16.120 -11.458 102 H GLN 11 H GLN 11 1.793 10.377 -12.252 103 HA GLN 11 HA GLN 11 1.598 8.849 -14.762 104 HB2 GLN 11 2HB GLN 11 3.219 11.256 -14.126 105 HB3 GLN 11 1HB GLN 11 3.993 9.999 -15.097 106 HG2 GLN 11 2HG GLN 11 1.800 10.147 -16.505 107 HG3 GLN 11 1HG GLN 11 1.661 11.735 -15.752 108 HE21 GLN 11 1HE2 GLN 11 3.335 13.269 -16.114 109 HE22 GLN 11 2HE2 GLN 11 4.329 13.172 -17.524 110 H ALA 12 H ALA 12 4.140 9.801 -12.442 111 HA ALA 12 HA ALA 12 5.590 7.405 -12.670 112 HB1 ALA 12 1HB ALA 12 5.660 9.024 -10.161 113 HB2 ALA 12 2HB ALA 12 6.260 9.716 -11.668 114 HB3 ALA 12 3HB ALA 12 6.980 8.239 -11.026 115 H LYS 13 H LYS 13 5.555 5.504 -11.547 116 HA LYS 13 HA LYS 13 3.402 5.189 -9.565 117 HB2 LYS 13 2HB LYS 13 3.152 2.842 -10.376 118 HB3 LYS 13 1HB LYS 13 2.820 4.013 -11.648 119 HG2 LYS 13 2HG LYS 13 4.910 3.598 -12.680 120 HG3 LYS 13 1HG LYS 13 5.481 2.654 -11.307 121 HD2 LYS 13 2HD LYS 13 4.841 1.159 -13.089 122 HD3 LYS 13 1HD LYS 13 3.690 1.002 -11.757 123 HE2 LYS 13 2HE LYS 13 2.619 3.002 -13.352 124 HE3 LYS 13 1HE LYS 13 3.257 1.829 -14.506 125 HZ1 LYS 13 3HZ LYS 13 0.851 1.638 -13.390 126 HZ2 LYS 13 1HZ LYS 13 1.750 0.731 -12.281 127 HZ3 LYS 13 2HZ LYS 13 1.737 0.294 -13.909 128 H GLU 14 H GLU 14 3.921 4.329 -7.662 129 HA GLU 14 HA GLU 14 6.711 3.543 -7.230 130 HB2 GLU 14 2HB GLU 14 4.768 5.012 -5.698 131 HB3 GLU 14 1HB GLU 14 5.329 3.623 -4.766 132 HG2 GLU 14 2HG GLU 14 7.189 5.578 -6.088 133 HG3 GLU 14 1HG GLU 14 6.606 5.756 -4.433 134 H GLU 15 H GLU 15 7.190 1.686 -5.869 135 HA GLU 15 HA GLU 15 5.088 -0.378 -5.970 136 HB2 GLU 15 2HB GLU 15 8.024 -0.937 -6.362 137 HB3 GLU 15 1HB GLU 15 6.671 -2.021 -6.650 138 HG2 GLU 15 2HG GLU 15 5.925 -0.460 -8.460 139 HG3 GLU 15 1HG GLU 15 7.446 0.405 -8.243 140 H ALA 16 H ALA 16 5.423 -2.182 -4.462 141 HA ALA 16 HA ALA 16 7.209 -1.917 -2.256 142 HB1 ALA 16 1HB ALA 16 4.410 -1.871 -1.272 143 HB2 ALA 16 2HB ALA 16 4.986 -0.356 -1.971 144 HB3 ALA 16 3HB ALA 16 5.845 -1.082 -0.610 145 H ILE 17 H ILE 17 7.350 -3.839 -1.136 146 HA ILE 17 HA ILE 17 5.422 -5.950 -1.811 147 HB ILE 17 HB ILE 17 7.418 -7.542 -1.864 148 HG12 ILE 17 2HG1 ILE 17 9.028 -5.733 -1.096 149 HG13 ILE 17 1HG1 ILE 17 9.554 -6.695 -2.473 150 HG21 ILE 17 1HG2 ILE 17 7.600 -7.360 -4.237 151 HG22 ILE 17 2HG2 ILE 17 7.147 -5.657 -4.197 152 HG23 ILE 17 3HG2 ILE 17 5.960 -6.894 -3.789 153 HD11 ILE 17 3HD1 ILE 17 9.378 -3.900 -2.269 154 HD12 ILE 17 1HD1 ILE 17 8.139 -4.405 -3.418 155 HD13 ILE 17 2HD1 ILE 17 9.822 -4.864 -3.678 156 H LYS 18 H LYS 18 5.030 -7.434 -0.241 157 HA LYS 18 HA LYS 18 6.664 -7.391 2.169 158 HB2 LYS 18 2HB LYS 18 3.672 -7.118 2.382 159 HB3 LYS 18 1HB LYS 18 4.877 -6.888 3.644 160 HG2 LYS 18 2HG LYS 18 4.696 -5.138 1.227 161 HG3 LYS 18 1HG LYS 18 3.820 -4.800 2.713 162 HD2 LYS 18 2HD LYS 18 5.734 -4.234 3.854 163 HD3 LYS 18 1HD LYS 18 6.752 -5.302 2.885 164 HE2 LYS 18 2HE LYS 18 5.925 -3.509 1.017 165 HE3 LYS 18 1HE LYS 18 6.013 -2.495 2.456 166 HZ1 LYS 18 3HZ LYS 18 8.242 -2.662 2.547 167 HZ2 LYS 18 1HZ LYS 18 8.098 -3.001 0.895 168 HZ3 LYS 18 2HZ LYS 18 8.272 -4.264 2.006 169 H GLU 19 H GLU 19 7.102 -9.407 2.733 170 HA GLU 19 HA GLU 19 5.388 -11.567 1.767 171 HB2 GLU 19 2HB GLU 19 8.230 -11.337 2.616 172 HB3 GLU 19 1HB GLU 19 7.433 -12.881 2.866 173 HG2 GLU 19 2HG GLU 19 6.863 -12.968 0.485 174 HG3 GLU 19 1HG GLU 19 7.693 -11.427 0.245 175 H ALA 20 H ALA 20 3.803 -12.177 3.087 176 HA ALA 20 HA ALA 20 4.260 -13.235 5.640 177 HB1 ALA 20 1HB ALA 20 3.575 -10.368 5.558 178 HB2 ALA 20 2HB ALA 20 4.475 -11.288 6.764 179 HB3 ALA 20 3HB ALA 20 2.712 -11.355 6.737 180 H VAL 21 H VAL 21 2.484 -14.340 6.417 181 HA VAL 21 HA VAL 21 0.401 -14.867 4.554 182 HB VAL 21 HB VAL 21 1.243 -16.598 6.081 183 HG11 VAL 21 1HG1 VAL 21 1.250 -16.450 8.330 184 HG12 VAL 21 2HG1 VAL 21 -0.294 -15.597 8.388 185 HG13 VAL 21 3HG1 VAL 21 1.186 -14.715 8.016 186 HG21 VAL 21 3HG2 VAL 21 -1.677 -15.988 6.543 187 HG22 VAL 21 1HG2 VAL 21 -0.896 -17.566 6.689 188 HG23 VAL 21 2HG2 VAL 21 -1.015 -16.780 5.113 189 H ASP 22 H ASP 22 0.690 -12.863 7.399 190 HA ASP 22 HA ASP 22 -2.123 -12.349 7.637 191 HB2 ASP 22 2HB ASP 22 -0.250 -12.196 9.458 192 HB3 ASP 22 1HB ASP 22 -0.013 -10.573 8.817 193 H ALA 23 H ALA 23 -2.709 -11.638 5.569 194 HA ALA 23 HA ALA 23 -1.591 -9.754 3.960 195 HB1 ALA 23 1HB ALA 23 -3.642 -9.537 2.897 196 HB2 ALA 23 2HB ALA 23 -4.551 -9.708 4.398 197 HB3 ALA 23 3HB ALA 23 -3.767 -11.114 3.677 198 H GLY 24 H GLY 24 -3.559 -9.151 6.832 199 HA2 GLY 24 2HA GLY 24 -3.915 -6.404 6.556 200 HA3 GLY 24 1HA GLY 24 -3.851 -7.254 8.090 201 H ILE 25 H ILE 25 -1.080 -8.198 7.436 202 HA ILE 25 HA ILE 25 0.307 -6.050 8.694 203 HB ILE 25 HB ILE 25 1.256 -8.662 7.519 204 HG12 ILE 25 2HG1 ILE 25 -0.038 -8.761 9.622 205 HG13 ILE 25 1HG1 ILE 25 1.633 -9.263 9.857 206 HG21 ILE 25 1HG2 ILE 25 3.242 -7.606 7.281 207 HG22 ILE 25 2HG2 ILE 25 3.351 -7.900 9.016 208 HG23 ILE 25 3HG2 ILE 25 2.823 -6.327 8.420 209 HD11 ILE 25 3HD1 ILE 25 0.168 -7.224 11.190 210 HD12 ILE 25 1HD1 ILE 25 1.531 -6.491 10.344 211 HD13 ILE 25 2HD1 ILE 25 1.808 -7.797 11.496 212 H ALA 26 H ALA 26 0.207 -7.330 5.384 213 HA ALA 26 HA ALA 26 2.269 -5.694 4.387 214 HB1 ALA 26 1HB ALA 26 1.491 -6.235 2.179 215 HB2 ALA 26 2HB ALA 26 -0.043 -6.821 2.829 216 HB3 ALA 26 3HB ALA 26 1.455 -7.681 3.192 217 H GLU 27 H GLU 27 -1.276 -5.268 4.373 218 HA GLU 27 HA GLU 27 -1.332 -2.860 2.979 219 HB2 GLU 27 2HB GLU 27 -3.456 -2.353 4.164 220 HB3 GLU 27 1HB GLU 27 -3.423 -3.963 3.459 221 HG2 GLU 27 2HG GLU 27 -2.719 -4.781 5.737 222 HG3 GLU 27 1HG GLU 27 -3.140 -3.180 6.338 223 H LYS 28 H LYS 28 -0.596 -3.552 6.325 224 HA LYS 28 HA LYS 28 -0.633 -0.926 7.325 225 HB2 LYS 28 2HB LYS 28 1.111 -3.243 8.190 226 HB3 LYS 28 1HB LYS 28 0.809 -1.783 9.122 227 HG2 LYS 28 2HG LYS 28 -1.627 -3.149 8.293 228 HG3 LYS 28 1HG LYS 28 -0.583 -4.129 9.324 229 HD2 LYS 28 2HD LYS 28 -1.056 -2.902 11.135 230 HD3 LYS 28 1HD LYS 28 -0.848 -1.383 10.261 231 HE2 LYS 28 2HE LYS 28 -3.095 -1.626 9.317 232 HE3 LYS 28 1HE LYS 28 -3.301 -3.136 10.202 233 HZ1 LYS 28 3HZ LYS 28 -4.300 -1.091 11.241 234 HZ2 LYS 28 1HZ LYS 28 -2.723 -0.567 11.556 235 HZ3 LYS 28 2HZ LYS 28 -3.291 -2.003 12.246 236 H TYR 29 H TYR 29 1.822 -2.779 5.607 237 HA TYR 29 HA TYR 29 3.819 -0.698 5.878 238 HB2 TYR 29 2HB TYR 29 3.726 -3.430 4.766 239 HB3 TYR 29 1HB TYR 29 4.788 -2.302 3.921 240 HD1 TYR 29 1HD TYR 29 5.691 -0.543 6.002 241 HD2 TYR 29 2HD TYR 29 5.274 -4.773 6.074 242 HE1 TYR 29 1HE TYR 29 7.397 -0.649 7.725 243 HE2 TYR 29 2HE TYR 29 7.006 -4.910 7.813 244 HH TYR 29 HH TYR 29 7.895 -2.653 9.707 245 H PHE 30 H PHE 30 1.610 -1.905 3.560 246 HA PHE 30 HA PHE 30 2.526 -0.500 1.314 247 HB2 PHE 30 2HB PHE 30 -0.180 -1.631 2.094 248 HB3 PHE 30 1HB PHE 30 0.146 -0.963 0.493 249 HD1 PHE 30 2HD PHE 30 3.155 -2.287 0.850 250 HD2 PHE 30 1HD PHE 30 -0.822 -3.659 0.899 251 HE1 PHE 30 2HE PHE 30 3.917 -4.439 -0.015 252 HE2 PHE 30 1HE PHE 30 -0.094 -5.850 0.049 253 HZ PHE 30 HZ PHE 30 2.296 -6.227 -0.406 254 H LYS 31 H LYS 31 0.297 0.138 3.935 255 HA LYS 31 HA LYS 31 -0.375 2.774 2.971 256 HB2 LYS 31 2HB LYS 31 -1.788 2.968 4.867 257 HB3 LYS 31 1HB LYS 31 -1.968 1.314 4.301 258 HG2 LYS 31 2HG LYS 31 -0.371 0.595 6.073 259 HG3 LYS 31 1HG LYS 31 -0.335 2.258 6.659 260 HD2 LYS 31 2HD LYS 31 -1.893 1.085 8.013 261 HD3 LYS 31 1HD LYS 31 -2.832 2.110 6.925 262 HE2 LYS 31 2HE LYS 31 -2.715 -0.120 5.441 263 HE3 LYS 31 1HE LYS 31 -2.609 -0.838 7.048 264 HZ1 LYS 31 3HZ LYS 31 -4.841 0.470 5.750 265 HZ2 LYS 31 1HZ LYS 31 -4.618 0.896 7.373 266 HZ3 LYS 31 2HZ LYS 31 -4.833 -0.727 6.945 267 H LEU 32 H LEU 32 2.041 1.223 4.891 268 HA LEU 32 HA LEU 32 2.797 3.469 6.480 269 HB2 LEU 32 2HB LEU 32 3.521 0.909 6.576 270 HB3 LEU 32 1HB LEU 32 4.892 1.521 5.665 271 HG LEU 32 HG LEU 32 5.413 3.084 7.448 272 HD11 LEU 32 1HD1 LEU 32 4.058 2.481 9.664 273 HD12 LEU 32 2HD1 LEU 32 2.794 2.184 8.475 274 HD13 LEU 32 3HD1 LEU 32 3.567 3.767 8.564 275 HD21 LEU 32 3HD2 LEU 32 6.605 1.161 7.810 276 HD22 LEU 32 1HD2 LEU 32 5.161 0.178 8.038 277 HD23 LEU 32 2HD2 LEU 32 5.694 1.262 9.316 278 H ILE 33 H ILE 33 3.934 2.233 3.346 279 HA ILE 33 HA ILE 33 5.641 4.548 3.002 280 HB ILE 33 HB ILE 33 6.436 2.377 2.187 281 HG12 ILE 33 2HG1 ILE 33 7.351 3.156 0.162 282 HG13 ILE 33 1HG1 ILE 33 5.903 4.068 -0.245 283 HG21 ILE 33 1HG2 ILE 33 4.681 2.292 -0.153 284 HG22 ILE 33 2HG2 ILE 33 3.872 1.950 1.376 285 HG23 ILE 33 3HG2 ILE 33 5.264 0.987 0.880 286 HD11 ILE 33 3HD1 ILE 33 8.121 5.221 0.639 287 HD12 ILE 33 1HD1 ILE 33 7.368 4.874 2.195 288 HD13 ILE 33 2HD1 ILE 33 6.517 5.862 1.003 289 H ALA 34 H ALA 34 2.532 3.343 1.885 290 HA ALA 34 HA ALA 34 2.171 5.098 -0.278 291 HB1 ALA 34 1HB ALA 34 -0.259 4.698 0.075 292 HB2 ALA 34 2HB ALA 34 0.142 3.847 1.565 293 HB3 ALA 34 3HB ALA 34 0.695 3.215 0.015 294 H ASN 35 H ASN 35 1.823 5.504 3.172 295 HA ASN 35 HA ASN 35 0.578 8.108 2.925 296 HB2 ASN 35 2HB ASN 35 0.429 6.263 4.876 297 HB3 ASN 35 1HB ASN 35 1.751 7.236 5.514 298 HD21 ASN 35 1HD2 ASN 35 -1.533 7.465 4.237 299 HD22 ASN 35 2HD2 ASN 35 -2.009 8.810 5.212 300 H ALA 36 H ALA 36 3.744 6.725 3.451 301 HA ALA 36 HA ALA 36 4.997 9.206 4.176 302 HB1 ALA 36 1HB ALA 36 6.521 6.859 3.128 303 HB2 ALA 36 2HB ALA 36 5.740 6.765 4.706 304 HB3 ALA 36 3HB ALA 36 6.951 8.003 4.391 305 H LYS 37 H LYS 37 4.648 7.287 1.242 306 HA LYS 37 HA LYS 37 6.160 9.259 -0.286 307 HB2 LYS 37 2HB LYS 37 5.163 6.501 -0.933 308 HB3 LYS 37 1HB LYS 37 5.578 7.616 -2.224 309 HG2 LYS 37 2HG LYS 37 7.539 7.193 -0.034 310 HG3 LYS 37 1HG LYS 37 7.342 5.940 -1.260 311 HD2 LYS 37 2HD LYS 37 7.505 8.564 -2.463 312 HD3 LYS 37 1HD LYS 37 8.907 8.244 -1.440 313 HE2 LYS 37 2HE LYS 37 8.257 5.927 -3.024 314 HE3 LYS 37 1HE LYS 37 8.458 7.343 -4.054 315 HZ1 LYS 37 3HZ LYS 37 10.603 7.736 -2.888 316 HZ2 LYS 37 1HZ LYS 37 10.566 6.312 -3.802 317 HZ3 LYS 37 2HZ LYS 37 10.418 6.242 -2.118 318 H THR 38 H THR 38 2.989 7.643 -0.521 319 HA THR 38 HA THR 38 2.013 9.686 -2.326 320 HB THR 38 HB THR 38 0.098 7.749 -1.181 321 HG1 THR 38 1HG THR 38 2.277 6.901 -2.784 322 HG21 THR 38 3HG2 THR 38 0.642 9.020 -3.763 323 HG22 THR 38 1HG2 THR 38 -0.887 8.558 -3.016 324 HG23 THR 38 2HG2 THR 38 0.092 7.348 -3.846 325 H VAL 39 H VAL 39 -0.648 9.907 -1.562 326 HA VAL 39 HA VAL 39 -0.493 11.201 1.077 327 HB VAL 39 HB VAL 39 -2.099 12.939 0.132 328 HG11 VAL 39 1HG1 VAL 39 0.514 13.032 0.520 329 HG12 VAL 39 2HG1 VAL 39 -0.359 14.371 -0.226 330 HG13 VAL 39 3HG1 VAL 39 0.524 13.223 -1.233 331 HG21 VAL 39 3HG2 VAL 39 -2.814 12.061 -1.908 332 HG22 VAL 39 1HG2 VAL 39 -1.179 11.617 -2.397 333 HG23 VAL 39 2HG2 VAL 39 -1.661 13.312 -2.373 334 H GLU 40 H GLU 40 -2.790 10.133 -1.453 335 HA GLU 40 HA GLU 40 -4.248 8.418 0.151 336 HB2 GLU 40 2HB GLU 40 -6.348 9.925 0.391 337 HB3 GLU 40 1HB GLU 40 -5.048 10.068 1.574 338 HG2 GLU 40 2HG GLU 40 -4.347 12.111 0.747 339 HG3 GLU 40 1HG GLU 40 -5.107 11.852 -0.822 340 H GLY 41 H GLY 41 -5.731 7.322 -1.007 341 HA2 GLY 41 2HA GLY 41 -7.062 8.388 -3.307 342 HA3 GLY 41 1HA GLY 41 -5.723 7.334 -3.761 343 H VAL 42 H VAL 42 -7.640 6.153 -4.750 344 HA VAL 42 HA VAL 42 -9.358 4.735 -2.925 345 HB VAL 42 HB VAL 42 -10.137 3.503 -4.927 346 HG11 VAL 42 1HG1 VAL 42 -10.125 6.369 -5.725 347 HG12 VAL 42 2HG1 VAL 42 -10.829 5.925 -4.170 348 HG13 VAL 42 3HG1 VAL 42 -11.461 5.220 -5.659 349 HG21 VAL 42 3HG2 VAL 42 -8.677 3.282 -6.601 350 HG22 VAL 42 1HG2 VAL 42 -7.715 4.655 -6.057 351 HG23 VAL 42 2HG2 VAL 42 -9.137 4.920 -7.065 352 H TRP 43 H TRP 43 -8.496 3.239 -1.668 353 HA TRP 43 HA TRP 43 -6.222 1.683 -2.457 354 HB2 TRP 43 2HB TRP 43 -7.776 2.270 -0.034 355 HB3 TRP 43 1HB TRP 43 -7.053 0.680 -0.080 356 HD1 TRP 43 HD TRP 43 -6.126 4.405 -0.109 357 HE1 TRP 43 1HE TRP 43 -3.688 4.673 0.646 358 HE3 TRP 43 3HE TRP 43 -4.755 -0.550 0.142 359 HZ2 TRP 43 2HZ TRP 43 -1.500 3.023 1.275 360 HZ3 TRP 43 3HZ TRP 43 -2.455 -1.059 0.835 361 HH2 TRP 43 HH TRP 43 -0.881 0.676 1.378 362 H THR 44 H THR 44 -6.204 -0.374 -3.151 363 HA THR 44 HA THR 44 -8.548 -2.070 -2.811 364 HB THR 44 HB THR 44 -8.329 -2.705 -5.303 365 HG1 THR 44 1HG THR 44 -7.138 -0.132 -5.338 366 HG21 THR 44 3HG2 THR 44 -10.168 -1.526 -5.708 367 HG22 THR 44 1HG2 THR 44 -9.367 0.009 -5.378 368 HG23 THR 44 2HG2 THR 44 -10.010 -0.953 -4.047 369 H TYR 45 H TYR 45 -8.102 -4.304 -3.036 370 HA TYR 45 HA TYR 45 -5.298 -5.035 -3.471 371 HB2 TYR 45 2HB TYR 45 -5.246 -4.930 -1.134 372 HB3 TYR 45 1HB TYR 45 -6.886 -5.558 -0.966 373 HD1 TYR 45 1HD TYR 45 -3.452 -6.548 -2.019 374 HD2 TYR 45 2HD TYR 45 -7.220 -7.821 -0.511 375 HE1 TYR 45 1HE TYR 45 -2.533 -8.795 -1.639 376 HE2 TYR 45 2HE TYR 45 -6.311 -10.073 -0.125 377 HH TYR 45 HH TYR 45 -2.956 -10.758 -0.312 378 H LYS 46 H LYS 46 -4.957 -7.044 -4.325 379 HA LYS 46 HA LYS 46 -7.377 -8.495 -5.156 380 HB2 LYS 46 2HB LYS 46 -4.640 -8.701 -6.413 381 HB3 LYS 46 1HB LYS 46 -6.175 -9.267 -7.070 382 HG2 LYS 46 2HG LYS 46 -6.282 -6.441 -6.532 383 HG3 LYS 46 1HG LYS 46 -4.905 -6.832 -7.565 384 HD2 LYS 46 2HD LYS 46 -6.215 -7.437 -9.303 385 HD3 LYS 46 1HD LYS 46 -7.438 -8.167 -8.261 386 HE2 LYS 46 2HE LYS 46 -8.717 -6.372 -8.528 387 HE3 LYS 46 1HE LYS 46 -7.470 -5.380 -7.776 388 HZ1 LYS 46 3HZ LYS 46 -7.179 -6.092 -10.606 389 HZ2 LYS 46 1HZ LYS 46 -6.664 -4.704 -9.785 390 HZ3 LYS 46 2HZ LYS 46 -8.296 -4.892 -10.188 391 H ASP 47 H ASP 47 -7.626 -10.612 -4.660 392 HA ASP 47 HA ASP 47 -5.696 -11.763 -2.799 393 HB2 ASP 47 2HB ASP 47 -8.082 -11.772 -2.184 394 HB3 ASP 47 1HB ASP 47 -8.444 -12.740 -3.613 395 H GLU 48 H GLU 48 -6.914 -12.201 -6.022 396 HA GLU 48 HA GLU 48 -6.248 -14.816 -6.564 397 HB2 GLU 48 2HB GLU 48 -6.573 -12.361 -8.150 398 HB3 GLU 48 1HB GLU 48 -5.602 -13.601 -8.915 399 HG2 GLU 48 2HG GLU 48 -8.016 -14.692 -7.753 400 HG3 GLU 48 1HG GLU 48 -8.358 -13.417 -8.921 401 H ILE 49 H ILE 49 -4.140 -12.037 -6.273 402 HA ILE 49 HA ILE 49 -1.839 -13.835 -6.389 403 HB ILE 49 HB ILE 49 -0.553 -12.282 -7.779 404 HG12 ILE 49 2HG1 ILE 49 -1.910 -10.253 -7.189 405 HG13 ILE 49 1HG1 ILE 49 -1.572 -10.421 -8.908 406 HG21 ILE 49 1HG2 ILE 49 -3.105 -13.357 -8.951 407 HG22 ILE 49 2HG2 ILE 49 -1.516 -14.115 -8.919 408 HG23 ILE 49 3HG2 ILE 49 -1.796 -12.691 -9.928 409 HD11 ILE 49 3HD1 ILE 49 -4.094 -10.265 -7.537 410 HD12 ILE 49 1HD1 ILE 49 -4.001 -11.719 -8.530 411 HD13 ILE 49 2HD1 ILE 49 -3.737 -10.134 -9.259 412 H LYS 50 H LYS 50 -3.409 -11.999 -4.428 413 HA LYS 50 HA LYS 50 -2.966 -10.584 -2.694 414 HB2 LYS 50 2HB LYS 50 -0.220 -11.828 -2.733 415 HB3 LYS 50 1HB LYS 50 -1.098 -11.195 -1.348 416 HG2 LYS 50 2HG LYS 50 -1.631 -13.323 -0.958 417 HG3 LYS 50 1HG LYS 50 -2.807 -13.109 -2.257 418 HD2 LYS 50 2HD LYS 50 -0.780 -13.748 -3.784 419 HD3 LYS 50 1HD LYS 50 -0.143 -14.459 -2.298 420 HE2 LYS 50 2HE LYS 50 -1.844 -16.018 -2.161 421 HE3 LYS 50 1HE LYS 50 -2.940 -15.064 -3.155 422 HZ1 LYS 50 3HZ LYS 50 -2.086 -15.888 -5.052 423 HZ2 LYS 50 1HZ LYS 50 -1.629 -17.183 -4.061 424 HZ3 LYS 50 2HZ LYS 50 -0.506 -15.983 -4.454 425 H THR 51 H THR 51 -3.034 -8.730 -4.170 426 HA THR 51 HA THR 51 -0.503 -7.278 -4.075 427 HB THR 51 HB THR 51 -2.168 -7.581 -6.581 428 HG1 THR 51 1HG THR 51 0.417 -8.467 -5.855 429 HG21 THR 51 3HG2 THR 51 -1.220 -5.795 -7.469 430 HG22 THR 51 1HG2 THR 51 0.385 -6.329 -6.970 431 HG23 THR 51 2HG2 THR 51 -0.615 -5.386 -5.865 432 H PHE 52 H PHE 52 -0.755 -5.291 -3.345 433 HA PHE 52 HA PHE 52 -3.464 -4.199 -3.147 434 HB2 PHE 52 2HB PHE 52 -1.042 -4.052 -1.532 435 HB3 PHE 52 1HB PHE 52 -1.798 -2.486 -1.748 436 HD1 PHE 52 2HD PHE 52 -2.119 -5.822 -0.297 437 HD2 PHE 52 1HD PHE 52 -3.985 -2.033 -0.829 438 HE1 PHE 52 2HE PHE 52 -3.731 -6.369 1.480 439 HE2 PHE 52 1HE PHE 52 -5.599 -2.573 0.950 440 HZ PHE 52 HZ PHE 52 -5.473 -4.745 2.105 441 H THR 53 H THR 53 -4.019 -2.256 -4.012 442 HA THR 53 HA THR 53 -2.006 -0.715 -5.465 443 HB THR 53 HB THR 53 -4.563 -1.507 -6.842 444 HG1 THR 53 1HG THR 53 -3.484 -3.416 -6.552 445 HG21 THR 53 3HG2 THR 53 -3.449 -0.892 -8.858 446 HG22 THR 53 1HG2 THR 53 -1.935 -0.619 -7.996 447 HG23 THR 53 2HG2 THR 53 -3.313 0.446 -7.717 448 H VAL 54 H VAL 54 -2.403 1.437 -5.619 449 HA VAL 54 HA VAL 54 -4.994 2.397 -4.597 450 HB VAL 54 HB VAL 54 -2.560 2.767 -3.285 451 HG11 VAL 54 1HG1 VAL 54 -1.922 4.480 -4.975 452 HG12 VAL 54 2HG1 VAL 54 -2.123 5.173 -3.361 453 HG13 VAL 54 3HG1 VAL 54 -3.384 5.385 -4.576 454 HG21 VAL 54 3HG2 VAL 54 -4.708 2.821 -2.203 455 HG22 VAL 54 1HG2 VAL 54 -5.179 4.265 -3.098 456 HG23 VAL 54 2HG2 VAL 54 -3.903 4.359 -1.884 457 H THR 55 H THR 55 -5.881 4.204 -5.573 458 HA THR 55 HA THR 55 -4.430 5.282 -7.889 459 HB THR 55 HB THR 55 -7.358 5.044 -8.189 460 HG1 THR 55 1HG THR 55 -6.842 3.009 -7.301 461 HG21 THR 55 3HG2 THR 55 -6.896 4.648 -10.440 462 HG22 THR 55 1HG2 THR 55 -5.232 4.165 -10.106 463 HG23 THR 55 2HG2 THR 55 -5.711 5.855 -9.942 464 H GLU 56 H GLU 56 -4.410 7.430 -8.015 465 HA GLU 56 HA GLU 56 -6.277 8.922 -6.288 466 HB2 GLU 56 2HB GLU 56 -3.746 8.975 -5.794 467 HB3 GLU 56 1HB GLU 56 -3.623 9.983 -7.230 468 HG2 GLU 56 2HG GLU 56 -5.273 11.537 -6.189 469 HG3 GLU 56 1HG GLU 56 -5.164 10.572 -4.717 Start of MODEL 2 1 H1 THR 1 1HT THR 1 3.068 -16.563 2.054 2 H2 THR 1 2HT THR 1 2.549 -14.956 2.327 3 H3 THR 1 3HT THR 1 4.215 -15.356 2.445 4 HA THR 1 HA THR 1 4.178 -15.972 0.103 5 HB THR 1 HB THR 1 2.278 -15.346 -1.240 6 HG1 THR 1 1HG THR 1 1.022 -14.451 1.136 7 HG21 THR 1 3HG2 THR 1 1.271 -16.785 1.202 8 HG22 THR 1 1HG2 THR 1 2.056 -17.533 -0.192 9 HG23 THR 1 2HG2 THR 1 0.489 -16.744 -0.377 10 H THR 2 H THR 2 4.529 -14.292 -1.573 11 HA THR 2 HA THR 2 5.494 -11.850 -0.308 12 HB THR 2 HB THR 2 5.809 -12.395 -3.231 13 HG1 THR 2 1HG THR 2 7.153 -13.781 -1.157 14 HG21 THR 2 3HG2 THR 2 7.352 -10.828 -3.083 15 HG22 THR 2 1HG2 THR 2 8.226 -11.777 -1.876 16 HG23 THR 2 2HG2 THR 2 6.980 -10.629 -1.370 17 H TYR 3 H TYR 3 4.327 -10.062 -0.270 18 HA TYR 3 HA TYR 3 2.014 -9.799 -2.012 19 HB2 TYR 3 2HB TYR 3 2.990 -8.372 0.435 20 HB3 TYR 3 1HB TYR 3 1.830 -7.584 -0.631 21 HD1 TYR 3 1HD TYR 3 1.876 -11.219 0.020 22 HD2 TYR 3 2HD TYR 3 0.033 -7.484 0.884 23 HE1 TYR 3 1HE TYR 3 0.016 -12.400 1.114 24 HE2 TYR 3 2HE TYR 3 -1.836 -8.653 1.978 25 HH TYR 3 HH TYR 3 -1.830 -11.449 3.135 26 H LYS 4 H LYS 4 1.597 -7.876 -3.241 27 HA LYS 4 HA LYS 4 4.002 -6.367 -4.006 28 HB2 LYS 4 2HB LYS 4 2.109 -7.875 -5.768 29 HB3 LYS 4 1HB LYS 4 2.895 -6.424 -6.382 30 HG2 LYS 4 2HG LYS 4 5.089 -7.446 -5.809 31 HG3 LYS 4 1HG LYS 4 4.233 -8.927 -5.378 32 HD2 LYS 4 2HD LYS 4 3.420 -9.177 -7.626 33 HD3 LYS 4 1HD LYS 4 4.072 -7.602 -8.082 34 HE2 LYS 4 2HE LYS 4 5.547 -9.290 -8.906 35 HE3 LYS 4 1HE LYS 4 6.347 -8.465 -7.575 36 HZ1 LYS 4 3HZ LYS 4 4.812 -10.828 -6.865 37 HZ2 LYS 4 1HZ LYS 4 6.313 -10.292 -6.291 38 HZ3 LYS 4 2HZ LYS 4 6.210 -11.105 -7.774 39 H LEU 5 H LEU 5 3.729 -4.227 -4.185 40 HA LEU 5 HA LEU 5 0.971 -3.179 -4.104 41 HB2 LEU 5 2HB LEU 5 2.363 -2.795 -1.986 42 HB3 LEU 5 1HB LEU 5 3.407 -1.799 -3.008 43 HG LEU 5 HG LEU 5 1.677 -0.219 -3.428 44 HD11 LEU 5 1HD1 LEU 5 -0.061 -2.375 -2.691 45 HD12 LEU 5 2HD1 LEU 5 -0.428 -0.874 -3.535 46 HD13 LEU 5 3HD1 LEU 5 -0.453 -0.923 -1.772 47 HD21 LEU 5 3HD2 LEU 5 2.270 -0.964 -0.632 48 HD22 LEU 5 1HD2 LEU 5 0.974 0.202 -0.893 49 HD23 LEU 5 2HD2 LEU 5 2.596 0.531 -1.505 50 H ILE 6 H ILE 6 0.457 -1.440 -5.300 51 HA ILE 6 HA ILE 6 2.544 -0.190 -6.889 52 HB ILE 6 HB ILE 6 -0.051 -1.134 -8.131 53 HG12 ILE 6 2HG1 ILE 6 1.413 -3.039 -7.644 54 HG13 ILE 6 1HG1 ILE 6 1.323 -2.749 -9.378 55 HG21 ILE 6 1HG2 ILE 6 0.847 0.918 -9.106 56 HG22 ILE 6 2HG2 ILE 6 0.961 -0.431 -10.237 57 HG23 ILE 6 3HG2 ILE 6 2.396 0.118 -9.371 58 HD11 ILE 6 3HD1 ILE 6 3.519 -2.552 -9.496 59 HD12 ILE 6 1HD1 ILE 6 3.612 -2.982 -7.788 60 HD13 ILE 6 2HD1 ILE 6 3.516 -1.288 -8.267 61 H LEU 7 H LEU 7 2.392 1.916 -6.447 62 HA LEU 7 HA LEU 7 -0.213 2.985 -5.643 63 HB2 LEU 7 2HB LEU 7 2.455 4.339 -5.334 64 HB3 LEU 7 1HB LEU 7 0.943 4.740 -4.533 65 HG LEU 7 HG LEU 7 1.107 2.415 -3.453 66 HD11 LEU 7 1HD1 LEU 7 3.824 2.124 -3.271 67 HD12 LEU 7 2HD1 LEU 7 3.592 2.522 -4.972 68 HD13 LEU 7 3HD1 LEU 7 2.752 1.144 -4.269 69 HD21 LEU 7 3HD2 LEU 7 2.750 4.822 -2.842 70 HD22 LEU 7 1HD2 LEU 7 2.973 3.368 -1.870 71 HD23 LEU 7 2HD2 LEU 7 1.386 4.131 -1.962 72 H ASN 8 H ASN 8 -1.286 4.408 -6.797 73 HA ASN 8 HA ASN 8 0.112 5.816 -8.973 74 HB2 ASN 8 2HB ASN 8 -2.049 3.878 -9.200 75 HB3 ASN 8 1HB ASN 8 -2.479 5.428 -9.923 76 HD21 ASN 8 1HD2 ASN 8 0.703 3.924 -9.698 77 HD22 ASN 8 2HD2 ASN 8 0.949 3.776 -11.401 78 H LEU 9 H LEU 9 0.038 7.895 -8.447 79 HA LEU 9 HA LEU 9 -2.408 8.945 -7.183 80 HB2 LEU 9 2HB LEU 9 -1.132 10.618 -6.156 81 HB3 LEU 9 1HB LEU 9 -0.089 9.202 -6.050 82 HG LEU 9 HG LEU 9 0.188 11.320 -8.190 83 HD11 LEU 9 1HD1 LEU 9 1.379 11.104 -5.452 84 HD12 LEU 9 2HD1 LEU 9 0.680 12.509 -6.258 85 HD13 LEU 9 3HD1 LEU 9 2.255 11.894 -6.763 86 HD21 LEU 9 3HD2 LEU 9 2.602 10.162 -7.919 87 HD22 LEU 9 1HD2 LEU 9 1.382 9.617 -9.070 88 HD23 LEU 9 2HD2 LEU 9 1.560 8.797 -7.519 89 H LYS 10 H LYS 10 -0.342 9.203 -9.967 90 HA LYS 10 HA LYS 10 -2.296 10.483 -11.518 91 HB2 LYS 10 2HB LYS 10 -0.424 12.248 -10.071 92 HB3 LYS 10 1HB LYS 10 -0.600 12.589 -11.790 93 HG2 LYS 10 2HG LYS 10 -3.189 12.327 -11.062 94 HG3 LYS 10 1HG LYS 10 -2.489 12.974 -9.578 95 HD2 LYS 10 2HD LYS 10 -2.557 15.003 -10.487 96 HD3 LYS 10 1HD LYS 10 -1.379 14.466 -11.679 97 HE2 LYS 10 2HE LYS 10 -3.116 15.222 -13.004 98 HE3 LYS 10 1HE LYS 10 -3.445 13.493 -12.909 99 HZ1 LYS 10 3HZ LYS 10 -4.661 15.172 -10.869 100 HZ2 LYS 10 1HZ LYS 10 -5.285 13.823 -11.677 101 HZ3 LYS 10 2HZ LYS 10 -5.277 15.333 -12.435 102 H GLN 11 H GLN 11 1.176 11.192 -11.497 103 HA GLN 11 HA GLN 11 1.407 9.664 -14.010 104 HB2 GLN 11 2HB GLN 11 2.294 12.346 -13.249 105 HB3 GLN 11 1HB GLN 11 3.576 11.370 -13.958 106 HG2 GLN 11 2HG GLN 11 2.687 12.382 -15.813 107 HG3 GLN 11 1HG GLN 11 1.806 10.855 -15.791 108 HE21 GLN 11 1HE2 GLN 11 -0.330 10.932 -15.850 109 HE22 GLN 11 2HE2 GLN 11 -1.300 12.336 -15.570 110 H ALA 12 H ALA 12 2.891 10.409 -10.916 111 HA ALA 12 HA ALA 12 5.203 8.762 -11.372 112 HB1 ALA 12 1HB ALA 12 4.712 10.801 -9.678 113 HB2 ALA 12 2HB ALA 12 5.998 9.618 -9.440 114 HB3 ALA 12 3HB ALA 12 4.465 9.432 -8.595 115 H LYS 13 H LYS 13 5.583 6.701 -10.688 116 HA LYS 13 HA LYS 13 3.356 5.294 -9.370 117 HB2 LYS 13 2HB LYS 13 3.935 3.283 -10.724 118 HB3 LYS 13 1HB LYS 13 3.452 4.640 -11.748 119 HG2 LYS 13 2HG LYS 13 6.237 4.843 -11.443 120 HG3 LYS 13 1HG LYS 13 5.883 3.139 -11.752 121 HD2 LYS 13 2HD LYS 13 4.266 4.368 -13.565 122 HD3 LYS 13 1HD LYS 13 5.631 5.481 -13.508 123 HE2 LYS 13 2HE LYS 13 5.852 2.507 -13.957 124 HE3 LYS 13 1HE LYS 13 5.858 3.718 -15.238 125 HZ1 LYS 13 3HZ LYS 13 8.091 2.866 -14.371 126 HZ2 LYS 13 1HZ LYS 13 7.806 3.853 -13.028 127 HZ3 LYS 13 2HZ LYS 13 7.909 4.536 -14.570 128 H GLU 14 H GLU 14 3.868 4.000 -7.691 129 HA GLU 14 HA GLU 14 6.728 3.598 -7.102 130 HB2 GLU 14 2HB GLU 14 4.872 5.106 -5.611 131 HB3 GLU 14 1HB GLU 14 5.137 3.620 -4.698 132 HG2 GLU 14 2HG GLU 14 6.648 5.471 -4.065 133 HG3 GLU 14 1HG GLU 14 7.488 4.017 -4.601 134 H GLU 15 H GLU 15 7.230 1.727 -5.784 135 HA GLU 15 HA GLU 15 5.198 -0.398 -5.993 136 HB2 GLU 15 2HB GLU 15 8.158 -0.899 -6.207 137 HB3 GLU 15 1HB GLU 15 6.836 -1.968 -6.654 138 HG2 GLU 15 2HG GLU 15 6.266 -0.523 -8.516 139 HG3 GLU 15 1HG GLU 15 7.542 0.602 -8.052 140 H ALA 16 H ALA 16 5.539 -2.219 -4.477 141 HA ALA 16 HA ALA 16 7.214 -1.922 -2.201 142 HB1 ALA 16 1HB ALA 16 5.808 -1.051 -0.616 143 HB2 ALA 16 2HB ALA 16 4.391 -1.851 -1.301 144 HB3 ALA 16 3HB ALA 16 4.987 -0.351 -2.014 145 H ILE 17 H ILE 17 7.315 -3.812 -1.045 146 HA ILE 17 HA ILE 17 5.408 -5.943 -1.706 147 HB ILE 17 HB ILE 17 7.445 -7.519 -1.673 148 HG12 ILE 17 2HG1 ILE 17 8.781 -4.929 -2.492 149 HG13 ILE 17 1HG1 ILE 17 9.102 -5.829 -1.012 150 HG21 ILE 17 1HG2 ILE 17 7.275 -7.678 -3.934 151 HG22 ILE 17 2HG2 ILE 17 7.449 -5.940 -4.180 152 HG23 ILE 17 3HG2 ILE 17 5.908 -6.604 -3.642 153 HD11 ILE 17 3HD1 ILE 17 10.714 -6.072 -2.998 154 HD12 ILE 17 1HD1 ILE 17 9.468 -7.115 -3.684 155 HD13 ILE 17 2HD1 ILE 17 10.206 -7.525 -2.135 156 H LYS 18 H LYS 18 5.001 -7.395 -0.100 157 HA LYS 18 HA LYS 18 6.609 -7.260 2.330 158 HB2 LYS 18 2HB LYS 18 3.608 -7.023 2.471 159 HB3 LYS 18 1HB LYS 18 4.778 -6.771 3.762 160 HG2 LYS 18 2HG LYS 18 4.664 -5.053 1.317 161 HG3 LYS 18 1HG LYS 18 3.733 -4.701 2.765 162 HD2 LYS 18 2HD LYS 18 5.637 -4.215 4.012 163 HD3 LYS 18 1HD LYS 18 6.691 -5.143 2.943 164 HE2 LYS 18 2HE LYS 18 6.590 -3.472 1.257 165 HE3 LYS 18 1HE LYS 18 5.289 -2.623 2.088 166 HZ1 LYS 18 3HZ LYS 18 8.148 -2.569 2.582 167 HZ2 LYS 18 1HZ LYS 18 7.171 -2.592 3.964 168 HZ3 LYS 18 2HZ LYS 18 6.987 -1.363 2.815 169 H GLU 19 H GLU 19 7.263 -9.323 2.410 170 HA GLU 19 HA GLU 19 5.629 -11.518 1.613 171 HB2 GLU 19 2HB GLU 19 8.337 -11.122 2.049 172 HB3 GLU 19 1HB GLU 19 7.872 -12.199 3.357 173 HG2 GLU 19 2HG GLU 19 7.373 -13.916 1.952 174 HG3 GLU 19 1HG GLU 19 6.956 -12.850 0.611 175 H ALA 20 H ALA 20 3.938 -12.199 2.743 176 HA ALA 20 HA ALA 20 4.112 -13.200 5.348 177 HB1 ALA 20 1HB ALA 20 3.205 -10.372 5.136 178 HB2 ALA 20 2HB ALA 20 4.215 -11.144 6.359 179 HB3 ALA 20 3HB ALA 20 2.474 -11.428 6.345 180 H VAL 21 H VAL 21 1.827 -13.559 6.304 181 HA VAL 21 HA VAL 21 0.080 -14.344 4.078 182 HB VAL 21 HB VAL 21 0.812 -16.162 5.565 183 HG11 VAL 21 1HG1 VAL 21 0.101 -16.284 7.865 184 HG12 VAL 21 2HG1 VAL 21 -0.745 -14.744 7.724 185 HG13 VAL 21 3HG1 VAL 21 1.018 -14.804 7.618 186 HG21 VAL 21 3HG2 VAL 21 -1.663 -15.763 4.558 187 HG22 VAL 21 1HG2 VAL 21 -2.042 -15.988 6.267 188 HG23 VAL 21 2HG2 VAL 21 -1.160 -17.241 5.386 189 H ASP 22 H ASP 22 0.032 -12.794 7.257 190 HA ASP 22 HA ASP 22 -2.726 -12.174 7.258 191 HB2 ASP 22 2HB ASP 22 -1.110 -12.180 9.248 192 HB3 ASP 22 1HB ASP 22 -0.602 -10.587 8.695 193 H ALA 23 H ALA 23 -3.209 -11.314 5.248 194 HA ALA 23 HA ALA 23 -2.008 -9.382 3.782 195 HB1 ALA 23 1HB ALA 23 -4.970 -9.651 4.255 196 HB2 ALA 23 2HB ALA 23 -4.017 -10.513 3.047 197 HB3 ALA 23 3HB ALA 23 -4.226 -8.767 2.923 198 H GLY 24 H GLY 24 -3.754 -8.890 6.774 199 HA2 GLY 24 2HA GLY 24 -4.132 -6.110 6.587 200 HA3 GLY 24 1HA GLY 24 -4.047 -7.026 8.082 201 H ILE 25 H ILE 25 -1.327 -8.003 7.394 202 HA ILE 25 HA ILE 25 0.133 -5.911 8.659 203 HB ILE 25 HB ILE 25 1.015 -8.525 7.434 204 HG12 ILE 25 2HG1 ILE 25 -0.243 -8.797 9.478 205 HG13 ILE 25 1HG1 ILE 25 1.456 -9.092 9.831 206 HG21 ILE 25 1HG2 ILE 25 3.113 -7.862 8.961 207 HG22 ILE 25 2HG2 ILE 25 2.625 -6.255 8.427 208 HG23 ILE 25 3HG2 ILE 25 3.022 -7.495 7.238 209 HD11 ILE 25 3HD1 ILE 25 1.267 -6.448 10.374 210 HD12 ILE 25 1HD1 ILE 25 1.081 -7.735 11.565 211 HD13 ILE 25 2HD1 ILE 25 -0.344 -7.008 10.821 212 H ALA 26 H ALA 26 -0.039 -7.138 5.333 213 HA ALA 26 HA ALA 26 2.067 -5.536 4.355 214 HB1 ALA 26 1HB ALA 26 -0.241 -6.543 2.720 215 HB2 ALA 26 2HB ALA 26 1.140 -7.538 3.186 216 HB3 ALA 26 3HB ALA 26 1.380 -6.114 2.167 217 H GLU 27 H GLU 27 -1.468 -5.053 4.368 218 HA GLU 27 HA GLU 27 -1.482 -2.635 2.976 219 HB2 GLU 27 2HB GLU 27 -3.606 -2.109 4.136 220 HB3 GLU 27 1HB GLU 27 -3.591 -3.723 3.443 221 HG2 GLU 27 2HG GLU 27 -2.913 -4.537 5.727 222 HG3 GLU 27 1HG GLU 27 -3.310 -2.928 6.318 223 H LYS 28 H LYS 28 -0.667 -3.387 6.275 224 HA LYS 28 HA LYS 28 -0.704 -0.764 7.322 225 HB2 LYS 28 2HB LYS 28 0.975 -3.139 8.152 226 HB3 LYS 28 1HB LYS 28 0.763 -1.670 9.093 227 HG2 LYS 28 2HG LYS 28 -1.763 -2.888 8.330 228 HG3 LYS 28 1HG LYS 28 -0.743 -3.958 9.293 229 HD2 LYS 28 2HD LYS 28 -1.789 -2.855 10.989 230 HD3 LYS 28 1HD LYS 28 -0.449 -1.737 10.729 231 HE2 LYS 28 2HE LYS 28 -1.924 -0.122 10.349 232 HE3 LYS 28 1HE LYS 28 -2.463 -0.993 8.914 233 HZ1 LYS 28 3HZ LYS 28 -4.031 -2.215 10.325 234 HZ2 LYS 28 1HZ LYS 28 -4.319 -0.548 10.358 235 HZ3 LYS 28 2HZ LYS 28 -3.547 -1.298 11.662 236 H TYR 29 H TYR 29 1.766 -2.669 5.668 237 HA TYR 29 HA TYR 29 3.778 -0.610 5.920 238 HB2 TYR 29 2HB TYR 29 3.638 -3.344 4.813 239 HB3 TYR 29 1HB TYR 29 4.712 -2.237 3.955 240 HD1 TYR 29 2HD TYR 29 5.677 -0.491 6.002 241 HD2 TYR 29 1HD TYR 29 5.154 -4.707 6.130 242 HE1 TYR 29 2HE TYR 29 7.397 -0.621 7.700 243 HE2 TYR 29 1HE TYR 29 6.902 -4.870 7.849 244 HH TYR 29 HH TYR 29 8.988 -3.343 8.503 245 H PHE 30 H PHE 30 1.602 -1.829 3.568 246 HA PHE 30 HA PHE 30 2.524 -0.442 1.328 247 HB2 PHE 30 2HB PHE 30 -0.183 -1.548 2.128 248 HB3 PHE 30 1HB PHE 30 0.120 -0.870 0.527 249 HD1 PHE 30 2HD PHE 30 3.136 -2.217 0.889 250 HD2 PHE 30 1HD PHE 30 -0.851 -3.550 0.870 251 HE1 PHE 30 2HE PHE 30 3.890 -4.367 0.001 252 HE2 PHE 30 1HE PHE 30 -0.135 -5.735 -0.012 253 HZ PHE 30 HZ PHE 30 2.254 -6.131 -0.440 254 H LYS 31 H LYS 31 0.260 0.255 3.915 255 HA LYS 31 HA LYS 31 -0.330 2.900 2.925 256 HB2 LYS 31 2HB LYS 31 -1.763 3.149 4.794 257 HB3 LYS 31 1HB LYS 31 -1.967 1.486 4.264 258 HG2 LYS 31 2HG LYS 31 -0.433 0.762 6.073 259 HG3 LYS 31 1HG LYS 31 -0.312 2.440 6.605 260 HD2 LYS 31 2HD LYS 31 -1.928 1.390 7.995 261 HD3 LYS 31 1HD LYS 31 -2.814 2.428 6.875 262 HE2 LYS 31 2HE LYS 31 -2.975 0.273 5.428 263 HE3 LYS 31 1HE LYS 31 -2.610 -0.556 6.940 264 HZ1 LYS 31 3HZ LYS 31 -4.856 -0.491 7.083 265 HZ2 LYS 31 1HZ LYS 31 -5.006 0.921 6.161 266 HZ3 LYS 31 2HZ LYS 31 -4.536 1.015 7.784 267 H LEU 32 H LEU 32 2.026 1.302 4.872 268 HA LEU 32 HA LEU 32 2.847 3.556 6.426 269 HB2 LEU 32 2HB LEU 32 3.446 1.067 6.788 270 HB3 LEU 32 1HB LEU 32 4.738 1.359 5.634 271 HG LEU 32 HG LEU 32 5.679 3.075 7.072 272 HD11 LEU 32 1HD1 LEU 32 4.565 2.977 9.499 273 HD12 LEU 32 2HD1 LEU 32 3.130 2.707 8.517 274 HD13 LEU 32 3HD1 LEU 32 4.102 4.158 8.277 275 HD21 LEU 32 3HD2 LEU 32 6.746 1.193 7.704 276 HD22 LEU 32 1HD2 LEU 32 5.250 0.312 8.005 277 HD23 LEU 32 2HD2 LEU 32 5.853 1.447 9.203 278 H ILE 33 H ILE 33 3.894 2.211 3.317 279 HA ILE 33 HA ILE 33 5.727 4.420 2.920 280 HB ILE 33 HB ILE 33 6.405 2.189 2.159 281 HG12 ILE 33 2HG1 ILE 33 7.358 2.872 0.113 282 HG13 ILE 33 1HG1 ILE 33 5.967 3.867 -0.303 283 HG21 ILE 33 1HG2 ILE 33 5.179 0.843 0.844 284 HG22 ILE 33 2HG2 ILE 33 4.628 2.172 -0.175 285 HG23 ILE 33 3HG2 ILE 33 3.834 1.856 1.367 286 HD11 ILE 33 3HD1 ILE 33 6.692 5.634 0.920 287 HD12 ILE 33 1HD1 ILE 33 8.253 4.893 0.558 288 HD13 ILE 33 2HD1 ILE 33 7.486 4.614 2.122 289 H ALA 34 H ALA 34 2.566 3.332 1.811 290 HA ALA 34 HA ALA 34 2.282 5.061 -0.381 291 HB1 ALA 34 1HB ALA 34 -0.150 4.767 -0.063 292 HB2 ALA 34 2HB ALA 34 0.170 3.989 1.486 293 HB3 ALA 34 3HB ALA 34 0.725 3.236 -0.007 294 H ASN 35 H ASN 35 2.079 5.582 3.044 295 HA ASN 35 HA ASN 35 0.928 8.235 2.743 296 HB2 ASN 35 2HB ASN 35 0.296 6.753 4.656 297 HB3 ASN 35 1HB ASN 35 1.951 6.872 5.245 298 HD21 ASN 35 1HD2 ASN 35 -0.652 9.019 4.138 299 HD22 ASN 35 2HD2 ASN 35 -0.447 10.191 5.390 300 H ALA 36 H ALA 36 4.004 6.678 3.339 301 HA ALA 36 HA ALA 36 5.394 9.089 4.040 302 HB1 ALA 36 1HB ALA 36 6.536 7.344 4.928 303 HB2 ALA 36 2HB ALA 36 7.391 7.445 3.388 304 HB3 ALA 36 3HB ALA 36 6.118 6.251 3.612 305 H LYS 37 H LYS 37 4.911 7.194 1.114 306 HA LYS 37 HA LYS 37 6.596 9.022 -0.412 307 HB2 LYS 37 2HB LYS 37 5.349 6.368 -1.066 308 HB3 LYS 37 1HB LYS 37 5.876 7.441 -2.351 309 HG2 LYS 37 2HG LYS 37 7.798 6.884 -0.169 310 HG3 LYS 37 1HG LYS 37 7.455 5.590 -1.319 311 HD2 LYS 37 2HD LYS 37 8.532 6.632 -3.002 312 HD3 LYS 37 1HD LYS 37 7.936 8.224 -2.530 313 HE2 LYS 37 2HE LYS 37 10.352 8.116 -2.296 314 HE3 LYS 37 1HE LYS 37 9.586 8.295 -0.718 315 HZ1 LYS 37 3HZ LYS 37 9.743 5.650 -0.884 316 HZ2 LYS 37 1HZ LYS 37 10.960 6.608 -0.207 317 HZ3 LYS 37 2HZ LYS 37 11.101 6.066 -1.802 318 H THR 38 H THR 38 3.293 7.699 -0.646 319 HA THR 38 HA THR 38 2.527 10.015 -2.272 320 HB THR 38 HB THR 38 0.415 8.075 -1.902 321 HG1 THR 38 1HG THR 38 1.407 6.295 -2.751 322 HG21 THR 38 3HG2 THR 38 0.866 9.723 -3.828 323 HG22 THR 38 1HG2 THR 38 0.228 8.122 -4.200 324 HG23 THR 38 2HG2 THR 38 1.941 8.465 -4.436 325 H VAL 39 H VAL 39 -0.221 10.018 -1.754 326 HA VAL 39 HA VAL 39 -0.269 10.997 1.025 327 HB VAL 39 HB VAL 39 -2.396 12.263 -0.033 328 HG11 VAL 39 1HG1 VAL 39 -0.972 14.247 -0.196 329 HG12 VAL 39 2HG1 VAL 39 0.461 13.219 -0.164 330 HG13 VAL 39 3HG1 VAL 39 -0.601 13.294 1.242 331 HG21 VAL 39 3HG2 VAL 39 -0.448 11.907 -2.304 332 HG22 VAL 39 1HG2 VAL 39 -1.635 13.208 -2.241 333 HG23 VAL 39 2HG2 VAL 39 -2.171 11.530 -2.284 334 H GLU 40 H GLU 40 -2.606 9.871 -1.455 335 HA GLU 40 HA GLU 40 -3.553 7.657 -0.187 336 HB2 GLU 40 2HB GLU 40 -4.357 10.017 1.223 337 HB3 GLU 40 1HB GLU 40 -5.785 9.257 0.524 338 HG2 GLU 40 2HG GLU 40 -4.227 7.199 1.659 339 HG3 GLU 40 1HG GLU 40 -4.291 8.510 2.836 340 H GLY 41 H GLY 41 -5.495 6.847 -1.062 341 HA2 GLY 41 2HA GLY 41 -7.053 8.256 -2.988 342 HA3 GLY 41 1HA GLY 41 -5.854 7.232 -3.779 343 H VAL 42 H VAL 42 -7.602 5.989 -4.683 344 HA VAL 42 HA VAL 42 -9.385 4.578 -2.910 345 HB VAL 42 HB VAL 42 -9.945 3.269 -5.046 346 HG11 VAL 42 1HG1 VAL 42 -11.599 4.751 -5.439 347 HG12 VAL 42 2HG1 VAL 42 -10.487 6.109 -5.610 348 HG13 VAL 42 3HG1 VAL 42 -10.943 5.541 -4.004 349 HG21 VAL 42 3HG2 VAL 42 -7.770 3.945 -6.154 350 HG22 VAL 42 1HG2 VAL 42 -8.498 5.532 -6.396 351 HG23 VAL 42 2HG2 VAL 42 -9.228 4.105 -7.132 352 H TRP 43 H TRP 43 -8.473 3.130 -1.604 353 HA TRP 43 HA TRP 43 -6.224 1.545 -2.390 354 HB2 TRP 43 2HB TRP 43 -7.761 2.164 0.043 355 HB3 TRP 43 1HB TRP 43 -6.997 0.593 0.015 356 HD1 TRP 43 HD TRP 43 -6.175 4.338 -0.029 357 HE1 TRP 43 1HE TRP 43 -3.724 4.673 0.652 358 HE3 TRP 43 3HE TRP 43 -4.651 -0.572 0.129 359 HZ2 TRP 43 2HZ TRP 43 -1.463 3.084 1.189 360 HZ3 TRP 43 3HZ TRP 43 -2.316 -1.022 0.740 361 HH2 TRP 43 HH TRP 43 -0.774 0.754 1.248 362 H THR 44 H THR 44 -6.218 -0.509 -3.068 363 HA THR 44 HA THR 44 -8.539 -2.219 -2.649 364 HB THR 44 HB THR 44 -8.269 -2.876 -5.176 365 HG1 THR 44 1HG THR 44 -7.417 -0.172 -5.192 366 HG21 THR 44 3HG2 THR 44 -10.264 -1.754 -4.049 367 HG22 THR 44 1HG2 THR 44 -10.079 -1.554 -5.792 368 HG23 THR 44 2HG2 THR 44 -9.616 -0.248 -4.701 369 H TYR 45 H TYR 45 -8.080 -4.455 -2.861 370 HA TYR 45 HA TYR 45 -5.278 -5.163 -3.343 371 HB2 TYR 45 2HB TYR 45 -5.191 -5.014 -1.010 372 HB3 TYR 45 1HB TYR 45 -6.812 -5.678 -0.803 373 HD1 TYR 45 2HD TYR 45 -3.367 -6.600 -1.885 374 HD2 TYR 45 1HD TYR 45 -7.092 -7.945 -0.330 375 HE1 TYR 45 2HE TYR 45 -2.394 -8.824 -1.492 376 HE2 TYR 45 1HE TYR 45 -6.128 -10.172 0.068 377 HH TYR 45 HH TYR 45 -2.754 -10.784 -0.166 378 H LYS 46 H LYS 46 -4.924 -7.178 -4.171 379 HA LYS 46 HA LYS 46 -7.334 -8.676 -4.948 380 HB2 LYS 46 2HB LYS 46 -4.608 -8.897 -6.223 381 HB3 LYS 46 1HB LYS 46 -6.154 -9.455 -6.864 382 HG2 LYS 46 2HG LYS 46 -6.882 -7.151 -7.145 383 HG3 LYS 46 1HG LYS 46 -5.360 -6.575 -6.463 384 HD2 LYS 46 2HD LYS 46 -4.723 -6.469 -8.623 385 HD3 LYS 46 1HD LYS 46 -4.445 -8.200 -8.421 386 HE2 LYS 46 2HE LYS 46 -6.229 -8.772 -9.689 387 HE3 LYS 46 1HE LYS 46 -7.194 -7.405 -9.134 388 HZ1 LYS 46 3HZ LYS 46 -6.365 -7.471 -11.562 389 HZ2 LYS 46 1HZ LYS 46 -4.893 -6.949 -10.913 390 HZ3 LYS 46 2HZ LYS 46 -6.287 -6.013 -10.709 391 H ASP 47 H ASP 47 -7.552 -10.788 -4.407 392 HA ASP 47 HA ASP 47 -5.592 -11.873 -2.537 393 HB2 ASP 47 2HB ASP 47 -7.977 -11.894 -1.907 394 HB3 ASP 47 1HB ASP 47 -8.330 -12.911 -3.303 395 H GLU 48 H GLU 48 -6.827 -12.403 -5.742 396 HA GLU 48 HA GLU 48 -6.130 -15.029 -6.217 397 HB2 GLU 48 2HB GLU 48 -7.193 -13.107 -7.736 398 HB3 GLU 48 1HB GLU 48 -5.557 -13.059 -8.370 399 HG2 GLU 48 2HG GLU 48 -6.437 -14.595 -9.779 400 HG3 GLU 48 1HG GLU 48 -5.937 -15.682 -8.484 401 H ILE 49 H ILE 49 -4.058 -12.191 -6.109 402 HA ILE 49 HA ILE 49 -1.735 -13.980 -6.206 403 HB ILE 49 HB ILE 49 -0.489 -12.398 -7.608 404 HG12 ILE 49 2HG1 ILE 49 -1.883 -10.398 -7.011 405 HG13 ILE 49 1HG1 ILE 49 -1.546 -10.560 -8.730 406 HG21 ILE 49 1HG2 ILE 49 -2.507 -12.760 -9.551 407 HG22 ILE 49 2HG2 ILE 49 -2.603 -14.116 -8.435 408 HG23 ILE 49 3HG2 ILE 49 -1.082 -13.757 -9.255 409 HD11 ILE 49 3HD1 ILE 49 -3.716 -10.321 -9.081 410 HD12 ILE 49 1HD1 ILE 49 -4.068 -10.448 -7.357 411 HD13 ILE 49 2HD1 ILE 49 -3.949 -11.905 -8.342 412 H LYS 50 H LYS 50 -3.319 -12.078 -4.265 413 HA LYS 50 HA LYS 50 -2.853 -10.669 -2.533 414 HB2 LYS 50 2HB LYS 50 -0.178 -12.054 -2.660 415 HB3 LYS 50 1HB LYS 50 -0.823 -11.195 -1.278 416 HG2 LYS 50 2HG LYS 50 -1.542 -13.185 -0.588 417 HG3 LYS 50 1HG LYS 50 -2.807 -12.999 -1.805 418 HD2 LYS 50 2HD LYS 50 -0.792 -13.977 -3.320 419 HD3 LYS 50 1HD LYS 50 -0.435 -14.755 -1.773 420 HE2 LYS 50 2HE LYS 50 -2.984 -14.910 -3.369 421 HE3 LYS 50 1HE LYS 50 -1.857 -16.220 -3.010 422 HZ1 LYS 50 3HZ LYS 50 -3.586 -16.526 -1.513 423 HZ2 LYS 50 1HZ LYS 50 -3.751 -14.872 -1.190 424 HZ3 LYS 50 2HZ LYS 50 -2.420 -15.725 -0.587 425 H THR 51 H THR 51 -2.939 -8.807 -3.972 426 HA THR 51 HA THR 51 -0.426 -7.340 -3.896 427 HB THR 51 HB THR 51 -2.024 -7.649 -6.444 428 HG1 THR 51 1HG THR 51 -0.474 -8.965 -7.112 429 HG21 THR 51 3HG2 THR 51 0.667 -6.388 -6.324 430 HG22 THR 51 1HG2 THR 51 -0.762 -5.428 -5.937 431 HG23 THR 51 2HG2 THR 51 -0.619 -6.199 -7.516 432 H PHE 52 H PHE 52 -0.735 -5.347 -3.199 433 HA PHE 52 HA PHE 52 -3.462 -4.297 -3.084 434 HB2 PHE 52 2HB PHE 52 -1.083 -4.084 -1.434 435 HB3 PHE 52 1HB PHE 52 -1.809 -2.517 -1.728 436 HD1 PHE 52 2HD PHE 52 -4.031 -2.014 -0.907 437 HD2 PHE 52 1HD PHE 52 -2.187 -5.767 -0.125 438 HE1 PHE 52 2HE PHE 52 -5.691 -2.454 0.858 439 HE2 PHE 52 1HE PHE 52 -3.841 -6.215 1.642 440 HZ PHE 52 HZ PHE 52 -5.596 -4.558 2.136 441 H THR 53 H THR 53 -4.039 -2.351 -3.959 442 HA THR 53 HA THR 53 -2.047 -0.829 -5.461 443 HB THR 53 HB THR 53 -4.588 -1.401 -6.897 444 HG1 THR 53 1HG THR 53 -4.143 -3.417 -7.256 445 HG21 THR 53 3HG2 THR 53 -2.565 -1.716 -8.669 446 HG22 THR 53 1HG2 THR 53 -1.871 -0.539 -7.554 447 HG23 THR 53 2HG2 THR 53 -3.404 -0.196 -8.356 448 H VAL 54 H VAL 54 -2.426 1.319 -5.590 449 HA VAL 54 HA VAL 54 -5.029 2.293 -4.612 450 HB VAL 54 HB VAL 54 -2.604 2.662 -3.268 451 HG11 VAL 54 1HG1 VAL 54 -2.175 5.066 -3.334 452 HG12 VAL 54 2HG1 VAL 54 -3.436 5.282 -4.548 453 HG13 VAL 54 3HG1 VAL 54 -1.971 4.387 -4.953 454 HG21 VAL 54 3HG2 VAL 54 -5.253 4.104 -3.105 455 HG22 VAL 54 1HG2 VAL 54 -3.981 4.270 -1.893 456 HG23 VAL 54 2HG2 VAL 54 -4.734 2.698 -2.176 457 H THR 55 H THR 55 -5.894 4.093 -5.624 458 HA THR 55 HA THR 55 -4.384 5.162 -7.909 459 HB THR 55 HB THR 55 -7.319 4.889 -8.234 460 HG1 THR 55 1HG THR 55 -6.747 2.843 -7.428 461 HG21 THR 55 3HG2 THR 55 -6.677 4.272 -10.527 462 HG22 THR 55 1HG2 THR 55 -4.982 4.457 -10.074 463 HG23 THR 55 2HG2 THR 55 -6.062 5.850 -10.037 464 H GLU 56 H GLU 56 -4.890 7.296 -8.521 465 HA GLU 56 HA GLU 56 -5.168 9.497 -7.980 466 HB2 GLU 56 2HB GLU 56 -7.469 10.163 -7.672 467 HB3 GLU 56 1HB GLU 56 -7.401 8.840 -8.828 468 HG2 GLU 56 2HG GLU 56 -8.353 7.332 -7.357 469 HG3 GLU 56 1HG GLU 56 -7.920 8.286 -5.940 Start of MODEL 3 1 H1 THR 1 1HT THR 1 2.200 -15.701 2.460 2 H2 THR 1 2HT THR 1 2.291 -13.981 2.456 3 H3 THR 1 3HT THR 1 3.683 -14.923 2.825 4 HA THR 1 HA THR 1 3.920 -15.663 0.682 5 HB THR 1 HB THR 1 1.389 -14.334 -0.211 6 HG1 THR 1 1HG THR 1 0.173 -15.720 0.758 7 HG21 THR 1 3HG2 THR 1 3.160 -16.485 -1.191 8 HG22 THR 1 1HG2 THR 1 2.341 -15.205 -2.073 9 HG23 THR 1 2HG2 THR 1 1.437 -16.620 -1.537 10 H THR 2 H THR 2 4.478 -14.379 -1.272 11 HA THR 2 HA THR 2 5.520 -11.840 -0.519 12 HB THR 2 HB THR 2 5.380 -13.089 -3.269 13 HG1 THR 2 1HG THR 2 7.445 -13.220 -1.333 14 HG21 THR 2 3HG2 THR 2 7.405 -11.126 -2.244 15 HG22 THR 2 1HG2 THR 2 5.982 -10.658 -3.172 16 HG23 THR 2 2HG2 THR 2 7.191 -11.710 -3.892 17 H TYR 3 H TYR 3 4.466 -9.978 -0.515 18 HA TYR 3 HA TYR 3 2.050 -9.705 -2.156 19 HB2 TYR 3 2HB TYR 3 3.023 -8.336 0.333 20 HB3 TYR 3 1HB TYR 3 1.798 -7.585 -0.687 21 HD1 TYR 3 2HD TYR 3 2.012 -11.227 -0.170 22 HD2 TYR 3 1HD TYR 3 0.081 -7.602 0.932 23 HE1 TYR 3 2HE TYR 3 0.240 -12.516 0.947 24 HE2 TYR 3 1HE TYR 3 -1.699 -8.885 2.052 25 HH TYR 3 HH TYR 3 -2.642 -11.431 1.689 26 H LYS 4 H LYS 4 1.669 -7.791 -3.368 27 HA LYS 4 HA LYS 4 4.070 -6.207 -3.984 28 HB2 LYS 4 2HB LYS 4 2.464 -7.889 -5.784 29 HB3 LYS 4 1HB LYS 4 2.766 -6.261 -6.388 30 HG2 LYS 4 2HG LYS 4 4.604 -7.279 -7.220 31 HG3 LYS 4 1HG LYS 4 5.241 -6.868 -5.627 32 HD2 LYS 4 2HD LYS 4 5.365 -9.019 -4.992 33 HD3 LYS 4 1HD LYS 4 3.808 -9.420 -5.719 34 HE2 LYS 4 2HE LYS 4 4.801 -9.651 -7.882 35 HE3 LYS 4 1HE LYS 4 6.340 -9.015 -7.300 36 HZ1 LYS 4 3HZ LYS 4 5.331 -11.356 -5.911 37 HZ2 LYS 4 1HZ LYS 4 6.909 -10.979 -6.396 38 HZ3 LYS 4 2HZ LYS 4 5.808 -11.608 -7.515 39 H LEU 5 H LEU 5 3.768 -4.063 -4.184 40 HA LEU 5 HA LEU 5 0.994 -3.057 -4.084 41 HB2 LEU 5 2HB LEU 5 2.405 -2.678 -1.972 42 HB3 LEU 5 1HB LEU 5 3.421 -1.656 -2.993 43 HG LEU 5 HG LEU 5 1.690 -0.076 -3.346 44 HD11 LEU 5 1HD1 LEU 5 -0.040 -2.267 -2.691 45 HD12 LEU 5 2HD1 LEU 5 -0.407 -0.747 -3.501 46 HD13 LEU 5 3HD1 LEU 5 -0.452 -0.843 -1.741 47 HD21 LEU 5 3HD2 LEU 5 2.702 0.486 -1.356 48 HD22 LEU 5 1HD2 LEU 5 2.092 -0.939 -0.519 49 HD23 LEU 5 2HD2 LEU 5 1.004 0.398 -0.887 50 H ILE 6 H ILE 6 0.455 -1.309 -5.283 51 HA ILE 6 HA ILE 6 2.543 -0.057 -6.876 52 HB ILE 6 HB ILE 6 -0.068 -0.925 -8.131 53 HG12 ILE 6 2HG1 ILE 6 1.271 -2.905 -7.560 54 HG13 ILE 6 1HG1 ILE 6 1.209 -2.660 -9.303 55 HG21 ILE 6 1HG2 ILE 6 0.766 -0.125 -10.146 56 HG22 ILE 6 2HG2 ILE 6 2.433 -0.127 -9.571 57 HG23 ILE 6 3HG2 ILE 6 1.298 1.087 -8.981 58 HD11 ILE 6 3HD1 ILE 6 3.471 -2.984 -7.686 59 HD12 ILE 6 1HD1 ILE 6 3.483 -1.305 -8.226 60 HD13 ILE 6 2HD1 ILE 6 3.413 -2.612 -9.409 61 H LEU 7 H LEU 7 2.407 2.048 -6.444 62 HA LEU 7 HA LEU 7 -0.174 3.139 -5.606 63 HB2 LEU 7 2HB LEU 7 2.527 4.453 -5.394 64 HB3 LEU 7 1HB LEU 7 1.037 4.947 -4.604 65 HG LEU 7 HG LEU 7 1.111 2.706 -3.388 66 HD11 LEU 7 1HD1 LEU 7 2.619 1.309 -4.322 67 HD12 LEU 7 2HD1 LEU 7 3.715 2.113 -3.200 68 HD13 LEU 7 3HD1 LEU 7 3.652 2.619 -4.888 69 HD21 LEU 7 3HD2 LEU 7 3.017 3.585 -1.871 70 HD22 LEU 7 1HD2 LEU 7 1.555 4.552 -2.068 71 HD23 LEU 7 2HD2 LEU 7 3.016 4.971 -2.963 72 H ASN 8 H ASN 8 -1.267 4.590 -6.729 73 HA ASN 8 HA ASN 8 0.063 5.903 -9.005 74 HB2 ASN 8 2HB ASN 8 -2.171 4.023 -9.068 75 HB3 ASN 8 1HB ASN 8 -2.553 5.550 -9.863 76 HD21 ASN 8 1HD2 ASN 8 -0.744 6.344 -11.337 77 HD22 ASN 8 2HD2 ASN 8 -0.036 5.156 -12.370 78 H LEU 9 H LEU 9 0.095 7.979 -8.420 79 HA LEU 9 HA LEU 9 -2.386 9.148 -7.333 80 HB2 LEU 9 2HB LEU 9 -1.160 10.584 -5.984 81 HB3 LEU 9 1HB LEU 9 -0.188 9.116 -5.916 82 HG LEU 9 HG LEU 9 0.393 11.486 -7.702 83 HD11 LEU 9 1HD1 LEU 9 2.433 11.474 -6.021 84 HD12 LEU 9 2HD1 LEU 9 1.224 10.772 -4.945 85 HD13 LEU 9 3HD1 LEU 9 0.946 12.354 -5.673 86 HD21 LEU 9 3HD2 LEU 9 1.576 8.791 -7.376 87 HD22 LEU 9 1HD2 LEU 9 2.690 10.144 -7.566 88 HD23 LEU 9 2HD2 LEU 9 1.476 9.822 -8.802 89 H LYS 10 H LYS 10 -0.076 9.239 -9.885 90 HA LYS 10 HA LYS 10 -1.671 11.152 -11.309 91 HB2 LYS 10 2HB LYS 10 0.821 11.961 -9.982 92 HB3 LYS 10 1HB LYS 10 0.761 12.368 -11.692 93 HG2 LYS 10 2HG LYS 10 -1.732 13.061 -10.492 94 HG3 LYS 10 1HG LYS 10 -0.416 13.732 -9.527 95 HD2 LYS 10 2HD LYS 10 0.177 15.202 -11.124 96 HD3 LYS 10 1HD LYS 10 -0.079 14.041 -12.430 97 HE2 LYS 10 2HE LYS 10 -2.521 14.957 -11.069 98 HE3 LYS 10 1HE LYS 10 -1.650 16.204 -11.956 99 HZ1 LYS 10 3HZ LYS 10 -2.025 13.680 -13.346 100 HZ2 LYS 10 1HZ LYS 10 -2.134 15.264 -13.929 101 HZ3 LYS 10 2HZ LYS 10 -3.427 14.586 -13.078 102 H GLN 11 H GLN 11 1.785 10.396 -11.610 103 HA GLN 11 HA GLN 11 1.173 8.791 -13.999 104 HB2 GLN 11 2HB GLN 11 3.437 10.790 -13.817 105 HB3 GLN 11 1HB GLN 11 2.993 9.816 -15.218 106 HG2 GLN 11 2HG GLN 11 1.120 11.086 -15.674 107 HG3 GLN 11 1HG GLN 11 1.012 11.706 -14.023 108 HE21 GLN 11 1HE2 GLN 11 1.456 12.735 -16.976 109 HE22 GLN 11 2HE2 GLN 11 2.613 13.995 -16.741 110 H ALA 12 H ALA 12 3.958 9.787 -11.994 111 HA ALA 12 HA ALA 12 5.490 7.494 -12.416 112 HB1 ALA 12 1HB ALA 12 5.456 9.327 -10.017 113 HB2 ALA 12 2HB ALA 12 6.435 9.520 -11.477 114 HB3 ALA 12 3HB ALA 12 6.723 8.157 -10.391 115 H LYS 13 H LYS 13 5.201 5.456 -11.817 116 HA LYS 13 HA LYS 13 3.259 4.870 -9.703 117 HB2 LYS 13 2HB LYS 13 3.407 2.507 -10.620 118 HB3 LYS 13 1HB LYS 13 2.809 3.692 -11.775 119 HG2 LYS 13 2HG LYS 13 4.739 3.622 -13.033 120 HG3 LYS 13 1HG LYS 13 5.716 3.019 -11.693 121 HD2 LYS 13 2HD LYS 13 3.538 1.221 -12.432 122 HD3 LYS 13 1HD LYS 13 4.686 1.506 -13.749 123 HE2 LYS 13 2HE LYS 13 6.200 0.195 -12.782 124 HE3 LYS 13 1HE LYS 13 6.088 1.091 -11.273 125 HZ1 LYS 13 3HZ LYS 13 5.393 -0.954 -10.606 126 HZ2 LYS 13 1HZ LYS 13 4.702 -1.353 -12.098 127 HZ3 LYS 13 2HZ LYS 13 3.899 -0.297 -11.051 128 H GLU 14 H GLU 14 3.844 4.101 -7.787 129 HA GLU 14 HA GLU 14 6.674 3.463 -7.350 130 HB2 GLU 14 2HB GLU 14 5.850 5.232 -5.932 131 HB3 GLU 14 1HB GLU 14 4.479 4.249 -5.425 132 HG2 GLU 14 2HG GLU 14 6.099 4.306 -3.666 133 HG3 GLU 14 1HG GLU 14 6.051 2.680 -4.346 134 H GLU 15 H GLU 15 7.225 1.650 -5.951 135 HA GLU 15 HA GLU 15 5.197 -0.486 -6.033 136 HB2 GLU 15 2HB GLU 15 8.157 -0.969 -6.295 137 HB3 GLU 15 1HB GLU 15 6.839 -2.079 -6.647 138 HG2 GLU 15 2HG GLU 15 6.784 -1.417 -8.752 139 HG3 GLU 15 1HG GLU 15 6.552 0.259 -8.259 140 H ALA 16 H ALA 16 5.558 -2.248 -4.479 141 HA ALA 16 HA ALA 16 7.265 -1.899 -2.234 142 HB1 ALA 16 1HB ALA 16 5.036 -0.340 -2.034 143 HB2 ALA 16 2HB ALA 16 5.858 -1.039 -0.635 144 HB3 ALA 16 3HB ALA 16 4.442 -1.840 -1.320 145 H ILE 17 H ILE 17 7.395 -3.785 -1.059 146 HA ILE 17 HA ILE 17 5.498 -5.930 -1.693 147 HB ILE 17 HB ILE 17 7.548 -7.491 -1.688 148 HG12 ILE 17 2HG1 ILE 17 8.944 -5.078 -2.816 149 HG13 ILE 17 1HG1 ILE 17 9.051 -5.460 -1.101 150 HG21 ILE 17 1HG2 ILE 17 7.276 -7.679 -3.922 151 HG22 ILE 17 2HG2 ILE 17 7.555 -5.963 -4.209 152 HG23 ILE 17 3HG2 ILE 17 5.980 -6.517 -3.644 153 HD11 ILE 17 3HD1 ILE 17 9.743 -7.476 -3.203 154 HD12 ILE 17 1HD1 ILE 17 10.202 -7.448 -1.501 155 HD13 ILE 17 2HD1 ILE 17 10.912 -6.289 -2.625 156 H LYS 18 H LYS 18 5.119 -7.383 -0.092 157 HA LYS 18 HA LYS 18 6.754 -7.270 2.318 158 HB2 LYS 18 2HB LYS 18 3.764 -7.061 2.555 159 HB3 LYS 18 1HB LYS 18 4.984 -6.730 3.779 160 HG2 LYS 18 2HG LYS 18 4.702 -5.104 1.286 161 HG3 LYS 18 1HG LYS 18 3.831 -4.726 2.763 162 HD2 LYS 18 2HD LYS 18 5.740 -4.054 3.863 163 HD3 LYS 18 1HD LYS 18 6.787 -5.108 2.910 164 HE2 LYS 18 2HE LYS 18 5.837 -3.411 1.004 165 HE3 LYS 18 1HE LYS 18 5.919 -2.351 2.410 166 HZ1 LYS 18 3HZ LYS 18 7.974 -2.543 0.945 167 HZ2 LYS 18 1HZ LYS 18 8.201 -4.065 1.650 168 HZ3 LYS 18 2HZ LYS 18 8.198 -2.676 2.616 169 H GLU 19 H GLU 19 7.183 -9.259 2.993 170 HA GLU 19 HA GLU 19 5.560 -11.476 2.007 171 HB2 GLU 19 2HB GLU 19 8.344 -11.139 2.945 172 HB3 GLU 19 1HB GLU 19 7.580 -12.670 3.344 173 HG2 GLU 19 2HG GLU 19 7.361 -13.296 1.133 174 HG3 GLU 19 1HG GLU 19 7.459 -11.634 0.550 175 H ALA 20 H ALA 20 3.919 -12.113 3.233 176 HA ALA 20 HA ALA 20 4.226 -13.065 5.851 177 HB1 ALA 20 1HB ALA 20 3.483 -11.426 7.247 178 HB2 ALA 20 2HB ALA 20 2.512 -10.647 5.997 179 HB3 ALA 20 3HB ALA 20 4.261 -10.420 6.023 180 H VAL 21 H VAL 21 2.472 -14.260 6.489 181 HA VAL 21 HA VAL 21 0.526 -14.878 4.507 182 HB VAL 21 HB VAL 21 1.356 -16.567 6.083 183 HG11 VAL 21 1HG1 VAL 21 -0.156 -14.979 8.151 184 HG12 VAL 21 2HG1 VAL 21 1.590 -15.216 8.073 185 HG13 VAL 21 3HG1 VAL 21 0.527 -16.585 8.405 186 HG21 VAL 21 3HG2 VAL 21 -0.679 -17.151 5.073 187 HG22 VAL 21 1HG2 VAL 21 -1.592 -15.993 6.044 188 HG23 VAL 21 2HG2 VAL 21 -0.934 -17.450 6.791 189 H ASP 22 H ASP 22 0.557 -12.870 7.367 190 HA ASP 22 HA ASP 22 -2.295 -12.464 7.386 191 HB2 ASP 22 2HB ASP 22 -0.834 -12.378 9.443 192 HB3 ASP 22 1HB ASP 22 -0.187 -10.856 8.839 193 H ALA 23 H ALA 23 -2.750 -11.674 5.334 194 HA ALA 23 HA ALA 23 -1.548 -9.748 3.852 195 HB1 ALA 23 1HB ALA 23 -3.463 -9.629 2.624 196 HB2 ALA 23 2HB ALA 23 -4.502 -9.553 4.045 197 HB3 ALA 23 3HB ALA 23 -3.804 -11.094 3.546 198 H GLY 24 H GLY 24 -3.505 -9.233 6.719 199 HA2 GLY 24 2HA GLY 24 -3.949 -6.487 6.490 200 HA3 GLY 24 1HA GLY 24 -3.845 -7.363 8.007 201 H ILE 25 H ILE 25 -1.084 -8.242 7.402 202 HA ILE 25 HA ILE 25 0.277 -6.086 8.648 203 HB ILE 25 HB ILE 25 1.269 -8.661 7.429 204 HG12 ILE 25 2HG1 ILE 25 0.046 -8.978 9.483 205 HG13 ILE 25 1HG1 ILE 25 1.759 -9.186 9.829 206 HG21 ILE 25 1HG2 ILE 25 3.357 -7.911 8.923 207 HG22 ILE 25 2HG2 ILE 25 2.797 -6.322 8.401 208 HG23 ILE 25 3HG2 ILE 25 3.228 -7.543 7.204 209 HD11 ILE 25 3HD1 ILE 25 1.281 -7.851 11.566 210 HD12 ILE 25 1HD1 ILE 25 -0.131 -7.148 10.777 211 HD13 ILE 25 2HD1 ILE 25 1.484 -6.568 10.373 212 H ALA 26 H ALA 26 0.167 -7.298 5.315 213 HA ALA 26 HA ALA 26 2.216 -5.611 4.360 214 HB1 ALA 26 1HB ALA 26 1.520 -6.169 2.147 215 HB2 ALA 26 2HB ALA 26 -0.043 -6.750 2.737 216 HB3 ALA 26 3HB ALA 26 1.436 -7.621 3.151 217 H GLU 27 H GLU 27 -1.338 -5.259 4.345 218 HA GLU 27 HA GLU 27 -1.442 -2.853 2.951 219 HB2 GLU 27 2HB GLU 27 -3.566 -2.384 4.175 220 HB3 GLU 27 1HB GLU 27 -3.514 -3.969 3.418 221 HG2 GLU 27 2HG GLU 27 -2.795 -4.861 5.650 222 HG3 GLU 27 1HG GLU 27 -3.205 -3.285 6.319 223 H LYS 28 H LYS 28 -0.635 -3.529 6.285 224 HA LYS 28 HA LYS 28 -0.738 -0.900 7.287 225 HB2 LYS 28 2HB LYS 28 0.901 -3.299 8.099 226 HB3 LYS 28 1HB LYS 28 0.968 -1.771 8.964 227 HG2 LYS 28 2HG LYS 28 -1.654 -2.103 9.003 228 HG3 LYS 28 1HG LYS 28 -1.186 -3.795 8.843 229 HD2 LYS 28 2HD LYS 28 -0.209 -1.896 10.973 230 HD3 LYS 28 1HD LYS 28 -1.438 -3.143 11.194 231 HE2 LYS 28 2HE LYS 28 0.581 -4.603 10.141 232 HE3 LYS 28 1HE LYS 28 1.492 -3.374 11.017 233 HZ1 LYS 28 3HZ LYS 28 0.817 -5.512 12.235 234 HZ2 LYS 28 1HZ LYS 28 -0.721 -4.813 12.331 235 HZ3 LYS 28 2HZ LYS 28 0.608 -4.036 13.032 236 H TYR 29 H TYR 29 1.872 -2.772 5.796 237 HA TYR 29 HA TYR 29 3.777 -0.634 5.943 238 HB2 TYR 29 2HB TYR 29 3.717 -3.371 4.827 239 HB3 TYR 29 1HB TYR 29 4.796 -2.228 4.021 240 HD1 TYR 29 1HD TYR 29 5.615 -0.480 6.152 241 HD2 TYR 29 2HD TYR 29 5.251 -4.716 6.156 242 HE1 TYR 29 1HE TYR 29 7.270 -0.586 7.919 243 HE2 TYR 29 2HE TYR 29 6.939 -4.853 7.946 244 HH TYR 29 HH TYR 29 7.725 -2.721 9.900 245 H PHE 30 H PHE 30 1.596 -1.890 3.617 246 HA PHE 30 HA PHE 30 2.516 -0.485 1.376 247 HB2 PHE 30 2HB PHE 30 -0.158 -1.680 2.152 248 HB3 PHE 30 1HB PHE 30 0.123 -0.967 0.562 249 HD1 PHE 30 2HD PHE 30 3.185 -2.220 0.907 250 HD2 PHE 30 1HD PHE 30 -0.756 -3.677 0.861 251 HE1 PHE 30 2HE PHE 30 4.008 -4.327 -0.014 252 HE2 PHE 30 1HE PHE 30 0.029 -5.826 -0.052 253 HZ PHE 30 HZ PHE 30 2.433 -6.137 -0.487 254 H LYS 31 H LYS 31 0.216 0.147 3.948 255 HA LYS 31 HA LYS 31 -0.425 2.780 2.955 256 HB2 LYS 31 2HB LYS 31 -1.892 2.994 4.804 257 HB3 LYS 31 1HB LYS 31 -2.059 1.331 4.256 258 HG2 LYS 31 2HG LYS 31 -0.603 0.587 6.085 259 HG3 LYS 31 1HG LYS 31 -0.408 2.259 6.610 260 HD2 LYS 31 2HD LYS 31 -2.068 1.432 8.021 261 HD3 LYS 31 1HD LYS 31 -2.975 2.290 6.773 262 HE2 LYS 31 2HE LYS 31 -3.858 0.386 5.916 263 HE3 LYS 31 1HE LYS 31 -2.416 -0.566 6.267 264 HZ1 LYS 31 3HZ LYS 31 -3.266 -0.102 8.725 265 HZ2 LYS 31 1HZ LYS 31 -3.778 -1.437 7.820 266 HZ3 LYS 31 2HZ LYS 31 -4.754 -0.060 7.924 267 H LEU 32 H LEU 32 1.934 1.233 4.937 268 HA LEU 32 HA LEU 32 2.673 3.499 6.517 269 HB2 LEU 32 2HB LEU 32 3.341 0.929 6.699 270 HB3 LEU 32 1HB LEU 32 4.746 1.486 5.802 271 HG LEU 32 HG LEU 32 5.108 3.195 7.591 272 HD11 LEU 32 1HD1 LEU 32 3.445 1.649 9.469 273 HD12 LEU 32 2HD1 LEU 32 2.588 2.714 8.356 274 HD13 LEU 32 3HD1 LEU 32 3.817 3.372 9.431 275 HD21 LEU 32 3HD2 LEU 32 5.916 1.503 9.272 276 HD22 LEU 32 1HD2 LEU 32 6.468 1.251 7.615 277 HD23 LEU 32 2HD2 LEU 32 5.160 0.263 8.267 278 H ILE 33 H ILE 33 3.838 2.170 3.440 279 HA ILE 33 HA ILE 33 5.629 4.418 3.078 280 HB ILE 33 HB ILE 33 6.352 2.195 2.327 281 HG12 ILE 33 2HG1 ILE 33 7.339 2.896 0.303 282 HG13 ILE 33 1HG1 ILE 33 5.944 3.875 -0.140 283 HG21 ILE 33 1HG2 ILE 33 3.799 1.845 1.472 284 HG22 ILE 33 2HG2 ILE 33 5.164 0.835 0.999 285 HG23 ILE 33 3HG2 ILE 33 4.637 2.153 -0.048 286 HD11 ILE 33 3HD1 ILE 33 6.627 5.649 1.093 287 HD12 ILE 33 1HD1 ILE 33 8.204 4.921 0.779 288 HD13 ILE 33 2HD1 ILE 33 7.394 4.639 2.320 289 H ALA 34 H ALA 34 2.490 3.315 1.964 290 HA ALA 34 HA ALA 34 2.211 4.993 -0.266 291 HB1 ALA 34 1HB ALA 34 0.116 3.937 1.628 292 HB2 ALA 34 2HB ALA 34 0.636 3.205 0.111 293 HB3 ALA 34 3HB ALA 34 -0.237 4.738 0.099 294 H ASN 35 H ASN 35 1.926 5.584 3.158 295 HA ASN 35 HA ASN 35 0.825 8.244 2.773 296 HB2 ASN 35 2HB ASN 35 0.963 6.378 4.940 297 HB3 ASN 35 1HB ASN 35 1.727 7.879 5.449 298 HD21 ASN 35 1HD2 ASN 35 -0.909 6.462 6.016 299 HD22 ASN 35 2HD2 ASN 35 -2.088 7.713 5.843 300 H ALA 36 H ALA 36 3.879 6.680 3.456 301 HA ALA 36 HA ALA 36 5.280 9.087 4.129 302 HB1 ALA 36 1HB ALA 36 7.246 7.375 3.431 303 HB2 ALA 36 2HB ALA 36 5.951 6.241 3.792 304 HB3 ALA 36 3HB ALA 36 6.469 7.395 5.014 305 H LYS 37 H LYS 37 4.828 7.160 1.216 306 HA LYS 37 HA LYS 37 6.500 8.995 -0.316 307 HB2 LYS 37 2HB LYS 37 5.288 6.320 -0.959 308 HB3 LYS 37 1HB LYS 37 5.833 7.385 -2.244 309 HG2 LYS 37 2HG LYS 37 7.718 6.866 -0.023 310 HG3 LYS 37 1HG LYS 37 7.401 5.554 -1.160 311 HD2 LYS 37 2HD LYS 37 8.218 8.338 -1.980 312 HD3 LYS 37 1HD LYS 37 9.350 7.001 -1.761 313 HE2 LYS 37 2HE LYS 37 8.761 6.021 -3.697 314 HE3 LYS 37 1HE LYS 37 7.050 6.392 -3.479 315 HZ1 LYS 37 3HZ LYS 37 7.889 7.573 -5.371 316 HZ2 LYS 37 1HZ LYS 37 9.149 8.248 -4.464 317 HZ3 LYS 37 2HZ LYS 37 7.547 8.693 -4.150 318 H THR 38 H THR 38 3.221 7.619 -0.565 319 HA THR 38 HA THR 38 2.430 9.864 -2.265 320 HB THR 38 HB THR 38 0.217 8.228 -2.025 321 HG1 THR 38 1HG THR 38 1.059 6.498 -1.120 322 HG21 THR 38 3HG2 THR 38 0.423 8.006 -4.228 323 HG22 THR 38 1HG2 THR 38 2.047 7.330 -4.104 324 HG23 THR 38 2HG2 THR 38 1.814 9.077 -4.063 325 H VAL 39 H VAL 39 -0.249 10.071 -1.750 326 HA VAL 39 HA VAL 39 -0.254 11.114 1.002 327 HB VAL 39 HB VAL 39 -2.335 12.433 -0.072 328 HG11 VAL 39 1HG1 VAL 39 0.545 13.036 0.228 329 HG12 VAL 39 2HG1 VAL 39 -0.861 13.800 0.968 330 HG13 VAL 39 3HG1 VAL 39 -0.422 14.185 -0.696 331 HG21 VAL 39 3HG2 VAL 39 -1.591 13.258 -2.326 332 HG22 VAL 39 1HG2 VAL 39 -2.173 11.596 -2.299 333 HG23 VAL 39 2HG2 VAL 39 -0.442 11.922 -2.362 334 H GLU 40 H GLU 40 -2.696 10.029 -1.399 335 HA GLU 40 HA GLU 40 -3.709 7.889 -0.014 336 HB2 GLU 40 2HB GLU 40 -4.254 9.359 1.834 337 HB3 GLU 40 1HB GLU 40 -5.095 10.468 0.752 338 HG2 GLU 40 2HG GLU 40 -6.983 9.321 0.919 339 HG3 GLU 40 1HG GLU 40 -6.173 7.797 0.561 340 H GLY 41 H GLY 41 -5.379 6.926 -1.093 341 HA2 GLY 41 2HA GLY 41 -7.027 8.365 -2.974 342 HA3 GLY 41 1HA GLY 41 -5.809 7.354 -3.753 343 H VAL 42 H VAL 42 -7.563 6.128 -4.680 344 HA VAL 42 HA VAL 42 -9.348 4.686 -2.939 345 HB VAL 42 HB VAL 42 -10.088 3.512 -4.982 346 HG11 VAL 42 1HG1 VAL 42 -9.994 6.381 -5.753 347 HG12 VAL 42 2HG1 VAL 42 -10.740 5.945 -4.214 348 HG13 VAL 42 3HG1 VAL 42 -11.356 5.261 -5.719 349 HG21 VAL 42 3HG2 VAL 42 -8.387 3.269 -6.470 350 HG22 VAL 42 1HG2 VAL 42 -7.687 4.844 -6.100 351 HG23 VAL 42 2HG2 VAL 42 -9.109 4.734 -7.135 352 H TRP 43 H TRP 43 -8.457 3.218 -1.659 353 HA TRP 43 HA TRP 43 -6.207 1.634 -2.439 354 HB2 TRP 43 2HB TRP 43 -7.792 2.203 -0.024 355 HB3 TRP 43 1HB TRP 43 -7.044 0.624 -0.079 356 HD1 TRP 43 HD TRP 43 -6.167 4.362 -0.066 357 HE1 TRP 43 1HE TRP 43 -3.736 4.655 0.698 358 HE3 TRP 43 3HE TRP 43 -4.730 -0.575 0.142 359 HZ2 TRP 43 2HZ TRP 43 -1.526 3.031 1.316 360 HZ3 TRP 43 3HZ TRP 43 -2.427 -1.060 0.838 361 HH2 TRP 43 HH TRP 43 -0.878 0.690 1.400 362 H THR 44 H THR 44 -6.202 -0.409 -3.166 363 HA THR 44 HA THR 44 -8.554 -2.098 -2.846 364 HB THR 44 HB THR 44 -8.320 -2.704 -5.351 365 HG1 THR 44 1HG THR 44 -7.164 -0.115 -5.338 366 HG21 THR 44 3HG2 THR 44 -10.266 -1.507 -4.396 367 HG22 THR 44 1HG2 THR 44 -9.891 -1.053 -6.058 368 HG23 THR 44 2HG2 THR 44 -9.439 0.014 -4.728 369 H TYR 45 H TYR 45 -8.122 -4.318 -3.035 370 HA TYR 45 HA TYR 45 -5.338 -5.088 -3.523 371 HB2 TYR 45 2HB TYR 45 -5.245 -4.952 -1.185 372 HB3 TYR 45 1HB TYR 45 -6.882 -5.578 -0.982 373 HD1 TYR 45 2HD TYR 45 -3.437 -6.549 -1.985 374 HD2 TYR 45 1HD TYR 45 -7.239 -7.865 -0.605 375 HE1 TYR 45 2HE TYR 45 -2.514 -8.794 -1.602 376 HE2 TYR 45 1HE TYR 45 -6.327 -10.116 -0.218 377 HH TYR 45 HH TYR 45 -4.194 -11.198 0.155 378 H LYS 46 H LYS 46 -5.042 -7.112 -4.367 379 HA LYS 46 HA LYS 46 -7.502 -8.580 -5.060 380 HB2 LYS 46 2HB LYS 46 -4.878 -8.515 -6.561 381 HB3 LYS 46 1HB LYS 46 -6.333 -9.380 -7.052 382 HG2 LYS 46 2HG LYS 46 -6.524 -7.514 -8.340 383 HG3 LYS 46 1HG LYS 46 -7.403 -6.979 -6.907 384 HD2 LYS 46 2HD LYS 46 -5.031 -6.150 -6.150 385 HD3 LYS 46 1HD LYS 46 -4.693 -6.198 -7.881 386 HE2 LYS 46 2HE LYS 46 -6.929 -4.679 -6.544 387 HE3 LYS 46 1HE LYS 46 -5.446 -3.982 -7.193 388 HZ1 LYS 46 3HZ LYS 46 -6.994 -5.596 -9.044 389 HZ2 LYS 46 1HZ LYS 46 -6.195 -4.125 -9.294 390 HZ3 LYS 46 2HZ LYS 46 -7.720 -4.147 -8.562 391 H ASP 47 H ASP 47 -7.647 -10.705 -4.609 392 HA ASP 47 HA ASP 47 -5.618 -11.838 -2.870 393 HB2 ASP 47 2HB ASP 47 -7.982 -12.073 -2.262 394 HB3 ASP 47 1HB ASP 47 -8.290 -12.948 -3.760 395 H GLU 48 H GLU 48 -6.718 -12.139 -6.134 396 HA GLU 48 HA GLU 48 -6.052 -14.622 -6.949 397 HB2 GLU 48 2HB GLU 48 -5.109 -13.395 -9.075 398 HB3 GLU 48 1HB GLU 48 -6.822 -13.334 -8.683 399 HG2 GLU 48 2HG GLU 48 -6.754 -11.138 -8.078 400 HG3 GLU 48 1HG GLU 48 -5.054 -11.201 -7.617 401 H ILE 49 H ILE 49 -3.747 -12.010 -6.315 402 HA ILE 49 HA ILE 49 -1.646 -13.998 -6.030 403 HB ILE 49 HB ILE 49 -0.055 -12.822 -7.422 404 HG12 ILE 49 2HG1 ILE 49 -1.030 -10.556 -7.132 405 HG13 ILE 49 1HG1 ILE 49 -0.657 -10.939 -8.810 406 HG21 ILE 49 1HG2 ILE 49 -1.712 -14.551 -8.343 407 HG22 ILE 49 2HG2 ILE 49 -0.802 -13.578 -9.496 408 HG23 ILE 49 3HG2 ILE 49 -2.484 -13.185 -9.138 409 HD11 ILE 49 3HD1 ILE 49 -3.271 -11.742 -8.551 410 HD12 ILE 49 1HD1 ILE 49 -2.710 -10.228 -9.260 411 HD13 ILE 49 2HD1 ILE 49 -3.190 -10.283 -7.564 412 H LYS 50 H LYS 50 -3.192 -12.038 -4.347 413 HA LYS 50 HA LYS 50 -2.841 -10.565 -2.646 414 HB2 LYS 50 2HB LYS 50 -0.104 -11.847 -2.642 415 HB3 LYS 50 1HB LYS 50 -0.818 -10.941 -1.316 416 HG2 LYS 50 2HG LYS 50 -1.352 -13.000 -0.586 417 HG3 LYS 50 1HG LYS 50 -2.730 -12.783 -1.667 418 HD2 LYS 50 2HD LYS 50 -1.663 -14.027 -3.398 419 HD3 LYS 50 1HD LYS 50 -0.140 -14.068 -2.508 420 HE2 LYS 50 2HE LYS 50 -1.278 -15.375 -0.729 421 HE3 LYS 50 1HE LYS 50 -2.723 -15.419 -1.738 422 HZ1 LYS 50 3HZ LYS 50 -1.038 -17.368 -1.796 423 HZ2 LYS 50 1HZ LYS 50 -0.164 -16.360 -2.837 424 HZ3 LYS 50 2HZ LYS 50 -1.739 -16.833 -3.238 425 H THR 51 H THR 51 -2.974 -8.742 -4.104 426 HA THR 51 HA THR 51 -0.471 -7.233 -4.135 427 HB THR 51 HB THR 51 -1.719 -6.501 -6.526 428 HG1 THR 51 1HG THR 51 -2.906 -8.280 -6.790 429 HG21 THR 51 3HG2 THR 51 0.182 -7.485 -7.638 430 HG22 THR 51 1HG2 THR 51 0.582 -8.407 -6.189 431 HG23 THR 51 2HG2 THR 51 0.697 -6.647 -6.174 432 H PHE 52 H PHE 52 -0.711 -5.233 -3.435 433 HA PHE 52 HA PHE 52 -3.433 -4.172 -3.148 434 HB2 PHE 52 2HB PHE 52 -1.007 -4.059 -1.536 435 HB3 PHE 52 1HB PHE 52 -1.763 -2.489 -1.716 436 HD1 PHE 52 1HD PHE 52 -3.982 -2.080 -0.818 437 HD2 PHE 52 2HD PHE 52 -2.046 -5.834 -0.303 438 HE1 PHE 52 1HE PHE 52 -5.592 -2.661 0.953 439 HE2 PHE 52 2HE PHE 52 -3.652 -6.423 1.468 440 HZ PHE 52 HZ PHE 52 -5.427 -4.837 2.097 441 H THR 53 H THR 53 -3.996 -2.226 -3.993 442 HA THR 53 HA THR 53 -1.979 -0.645 -5.398 443 HB THR 53 HB THR 53 -4.502 -1.537 -6.792 444 HG1 THR 53 1HG THR 53 -3.391 -3.132 -7.677 445 HG21 THR 53 3HG2 THR 53 -2.000 -0.358 -7.966 446 HG22 THR 53 1HG2 THR 53 -3.448 0.576 -7.585 447 HG23 THR 53 2HG2 THR 53 -3.519 -0.711 -8.789 448 H VAL 54 H VAL 54 -2.402 1.506 -5.563 449 HA VAL 54 HA VAL 54 -5.001 2.434 -4.538 450 HB VAL 54 HB VAL 54 -2.582 2.820 -3.212 451 HG11 VAL 54 1HG1 VAL 54 -2.157 5.233 -3.286 452 HG12 VAL 54 2HG1 VAL 54 -3.388 5.429 -4.533 453 HG13 VAL 54 3HG1 VAL 54 -1.916 4.528 -4.887 454 HG21 VAL 54 3HG2 VAL 54 -5.182 4.356 -3.046 455 HG22 VAL 54 1HG2 VAL 54 -3.927 4.381 -1.808 456 HG23 VAL 54 2HG2 VAL 54 -4.772 2.877 -2.181 457 H THR 55 H THR 55 -5.904 4.243 -5.512 458 HA THR 55 HA THR 55 -4.468 5.322 -7.840 459 HB THR 55 HB THR 55 -7.353 5.191 -8.238 460 HG1 THR 55 1HG THR 55 -7.599 3.046 -8.296 461 HG21 THR 55 3HG2 THR 55 -5.558 3.691 -10.008 462 HG22 THR 55 1HG2 THR 55 -5.225 5.417 -9.867 463 HG23 THR 55 2HG2 THR 55 -6.817 4.866 -10.387 464 H GLU 56 H GLU 56 -5.047 7.451 -8.466 465 HA GLU 56 HA GLU 56 -5.709 9.143 -6.261 466 HB2 GLU 56 2HB GLU 56 -5.566 10.965 -8.019 467 HB3 GLU 56 1HB GLU 56 -4.117 9.999 -7.790 468 HG2 GLU 56 2HG GLU 56 -4.161 9.224 -9.879 469 HG3 GLU 56 1HG GLU 56 -5.901 8.939 -9.835 Start of MODEL 4 1 H1 THR 1 1HT THR 1 3.679 -16.166 2.645 2 H2 THR 1 2HT THR 1 3.217 -14.589 3.144 3 H3 THR 1 3HT THR 1 4.796 -14.870 2.533 4 HA THR 1 HA THR 1 3.673 -15.630 0.442 5 HB THR 1 HB THR 1 1.432 -13.887 1.407 6 HG1 THR 1 1HG THR 1 0.871 -15.354 2.772 7 HG21 THR 1 3HG2 THR 1 1.845 -15.844 -0.782 8 HG22 THR 1 1HG2 THR 1 1.051 -14.266 -0.801 9 HG23 THR 1 2HG2 THR 1 0.226 -15.662 -0.104 10 H THR 2 H THR 2 4.638 -14.362 -0.997 11 HA THR 2 HA THR 2 5.550 -11.745 -0.315 12 HB THR 2 HB THR 2 5.550 -12.929 -3.083 13 HG1 THR 2 1HG THR 2 7.480 -13.410 -1.063 14 HG21 THR 2 3HG2 THR 2 6.515 -10.892 -3.346 15 HG22 THR 2 1HG2 THR 2 7.931 -11.838 -2.885 16 HG23 THR 2 2HG2 THR 2 7.112 -10.831 -1.687 17 H TYR 3 H TYR 3 4.400 -9.951 -0.408 18 HA TYR 3 HA TYR 3 2.040 -9.843 -2.146 19 HB2 TYR 3 2HB TYR 3 2.872 -8.412 0.347 20 HB3 TYR 3 1HB TYR 3 1.752 -7.624 -0.762 21 HD1 TYR 3 2HD TYR 3 1.701 -11.267 -0.326 22 HD2 TYR 3 1HD TYR 3 -0.001 -7.554 0.861 23 HE1 TYR 3 2HE TYR 3 -0.189 -12.465 0.695 24 HE2 TYR 3 1HE TYR 3 -1.896 -8.746 1.889 25 HH TYR 3 HH TYR 3 -2.759 -11.737 1.237 26 H LYS 4 H LYS 4 1.591 -7.817 -3.297 27 HA LYS 4 HA LYS 4 4.000 -6.282 -3.984 28 HB2 LYS 4 2HB LYS 4 2.900 -8.194 -5.658 29 HB3 LYS 4 1HB LYS 4 2.221 -6.686 -6.261 30 HG2 LYS 4 2HG LYS 4 4.125 -6.170 -7.262 31 HG3 LYS 4 1HG LYS 4 5.018 -6.345 -5.751 32 HD2 LYS 4 2HD LYS 4 6.049 -8.011 -6.875 33 HD3 LYS 4 1HD LYS 4 4.634 -8.938 -6.373 34 HE2 LYS 4 2HE LYS 4 4.932 -9.331 -8.695 35 HE3 LYS 4 1HE LYS 4 3.548 -8.256 -8.532 36 HZ1 LYS 4 3HZ LYS 4 6.274 -7.620 -9.471 37 HZ2 LYS 4 1HZ LYS 4 5.242 -6.405 -8.905 38 HZ3 LYS 4 2HZ LYS 4 4.796 -7.338 -10.244 39 H LEU 5 H LEU 5 3.703 -4.136 -4.247 40 HA LEU 5 HA LEU 5 0.935 -3.119 -4.112 41 HB2 LEU 5 2HB LEU 5 2.386 -2.705 -2.034 42 HB3 LEU 5 1HB LEU 5 3.379 -1.693 -3.091 43 HG LEU 5 HG LEU 5 1.634 -0.130 -3.436 44 HD11 LEU 5 1HD1 LEU 5 -0.447 -0.870 -3.588 45 HD12 LEU 5 2HD1 LEU 5 -0.498 -0.836 -1.825 46 HD13 LEU 5 3HD1 LEU 5 -0.075 -2.325 -2.667 47 HD21 LEU 5 3HD2 LEU 5 0.958 0.322 -0.945 48 HD22 LEU 5 1HD2 LEU 5 2.627 0.513 -1.481 49 HD23 LEU 5 2HD2 LEU 5 2.139 -0.946 -0.623 50 H ILE 6 H ILE 6 0.373 -1.394 -5.324 51 HA ILE 6 HA ILE 6 2.421 -0.166 -6.986 52 HB ILE 6 HB ILE 6 -0.231 -1.015 -8.165 53 HG12 ILE 6 2HG1 ILE 6 1.102 -3.008 -7.564 54 HG13 ILE 6 1HG1 ILE 6 0.951 -2.818 -9.308 55 HG21 ILE 6 1HG2 ILE 6 0.435 0.592 -9.599 56 HG22 ILE 6 2HG2 ILE 6 1.446 -0.701 -10.245 57 HG23 ILE 6 3HG2 ILE 6 2.128 0.473 -9.118 58 HD11 ILE 6 3HD1 ILE 6 3.147 -2.865 -9.516 59 HD12 ILE 6 1HD1 ILE 6 3.294 -3.100 -7.774 60 HD13 ILE 6 2HD1 ILE 6 3.302 -1.470 -8.448 61 H LEU 7 H LEU 7 2.302 1.948 -6.571 62 HA LEU 7 HA LEU 7 -0.284 3.049 -5.733 63 HB2 LEU 7 2HB LEU 7 2.417 4.325 -5.373 64 HB3 LEU 7 1HB LEU 7 0.906 4.768 -4.589 65 HG LEU 7 HG LEU 7 0.979 2.422 -3.538 66 HD11 LEU 7 1HD1 LEU 7 3.576 1.899 -3.256 67 HD12 LEU 7 2HD1 LEU 7 3.607 2.573 -4.885 68 HD13 LEU 7 3HD1 LEU 7 2.592 1.177 -4.530 69 HD21 LEU 7 3HD2 LEU 7 2.460 3.209 -1.740 70 HD22 LEU 7 1HD2 LEU 7 1.331 4.456 -2.267 71 HD23 LEU 7 2HD2 LEU 7 3.015 4.516 -2.786 72 H ASN 8 H ASN 8 -1.263 4.656 -6.759 73 HA ASN 8 HA ASN 8 0.155 6.086 -8.888 74 HB2 ASN 8 2HB ASN 8 -1.956 4.125 -9.276 75 HB3 ASN 8 1HB ASN 8 -2.413 5.702 -9.923 76 HD21 ASN 8 1HD2 ASN 8 -1.358 6.513 -11.683 77 HD22 ASN 8 2HD2 ASN 8 -0.235 5.596 -12.612 78 H LEU 9 H LEU 9 0.057 8.124 -8.183 79 HA LEU 9 HA LEU 9 -2.481 9.086 -7.035 80 HB2 LEU 9 2HB LEU 9 -1.294 10.636 -5.744 81 HB3 LEU 9 1HB LEU 9 -0.276 9.199 -5.677 82 HG LEU 9 HG LEU 9 0.212 11.507 -7.565 83 HD11 LEU 9 1HD1 LEU 9 1.155 10.996 -4.771 84 HD12 LEU 9 2HD1 LEU 9 0.542 12.487 -5.487 85 HD13 LEU 9 3HD1 LEU 9 2.149 11.898 -5.914 86 HD21 LEU 9 3HD2 LEU 9 1.485 8.903 -7.046 87 HD22 LEU 9 1HD2 LEU 9 2.581 10.276 -7.194 88 HD23 LEU 9 2HD2 LEU 9 1.469 9.889 -8.507 89 H LYS 10 H LYS 10 -0.169 9.574 -9.590 90 HA LYS 10 HA LYS 10 -1.974 11.033 -11.168 91 HB2 LYS 10 2HB LYS 10 -0.343 12.611 -9.332 92 HB3 LYS 10 1HB LYS 10 -0.132 13.091 -11.005 93 HG2 LYS 10 2HG LYS 10 -2.809 12.937 -10.916 94 HG3 LYS 10 1HG LYS 10 -2.466 13.367 -9.239 95 HD2 LYS 10 2HD LYS 10 -1.410 15.368 -9.851 96 HD3 LYS 10 1HD LYS 10 -1.248 14.860 -11.536 97 HE2 LYS 10 2HE LYS 10 -3.012 16.318 -11.698 98 HE3 LYS 10 1HE LYS 10 -3.863 14.792 -11.446 99 HZ1 LYS 10 3HZ LYS 10 -3.142 16.262 -9.047 100 HZ2 LYS 10 1HZ LYS 10 -4.560 15.416 -9.416 101 HZ3 LYS 10 2HZ LYS 10 -4.326 16.979 -10.018 102 H GLN 11 H GLN 11 1.478 11.744 -10.828 103 HA GLN 11 HA GLN 11 1.953 10.261 -13.330 104 HB2 GLN 11 2HB GLN 11 3.342 12.832 -12.575 105 HB3 GLN 11 1HB GLN 11 3.418 11.981 -14.120 106 HG2 GLN 11 2HG GLN 11 0.719 12.761 -13.298 107 HG3 GLN 11 1HG GLN 11 1.819 14.109 -13.577 108 HE21 GLN 11 1HE2 GLN 11 0.854 11.035 -15.059 109 HE22 GLN 11 2HE2 GLN 11 0.866 11.615 -16.686 110 H ALA 12 H ALA 12 2.362 9.573 -10.452 111 HA ALA 12 HA ALA 12 5.223 8.923 -10.663 112 HB1 ALA 12 1HB ALA 12 5.747 9.727 -8.620 113 HB2 ALA 12 2HB ALA 12 4.186 9.304 -7.933 114 HB3 ALA 12 3HB ALA 12 4.350 10.766 -8.897 115 H LYS 13 H LYS 13 5.353 6.797 -10.889 116 HA LYS 13 HA LYS 13 3.344 5.087 -9.612 117 HB2 LYS 13 2HB LYS 13 4.176 3.310 -11.105 118 HB3 LYS 13 1HB LYS 13 3.801 4.755 -12.045 119 HG2 LYS 13 2HG LYS 13 6.299 5.307 -11.791 120 HG3 LYS 13 1HG LYS 13 6.470 3.612 -11.322 121 HD2 LYS 13 2HD LYS 13 6.864 3.630 -13.637 122 HD3 LYS 13 1HD LYS 13 5.193 3.081 -13.475 123 HE2 LYS 13 2HE LYS 13 4.463 5.438 -13.854 124 HE3 LYS 13 1HE LYS 13 6.146 5.847 -14.200 125 HZ1 LYS 13 3HZ LYS 13 5.225 5.457 -16.276 126 HZ2 LYS 13 1HZ LYS 13 4.312 4.131 -15.749 127 HZ3 LYS 13 2HZ LYS 13 5.991 3.989 -15.928 128 H GLU 14 H GLU 14 3.789 4.089 -7.776 129 HA GLU 14 HA GLU 14 6.617 3.655 -7.059 130 HB2 GLU 14 2HB GLU 14 4.361 4.792 -5.554 131 HB3 GLU 14 1HB GLU 14 5.273 3.571 -4.663 132 HG2 GLU 14 2HG GLU 14 6.201 5.694 -4.151 133 HG3 GLU 14 1HG GLU 14 7.347 4.846 -5.189 134 H GLU 15 H GLU 15 7.077 1.774 -5.745 135 HA GLU 15 HA GLU 15 5.079 -0.371 -6.018 136 HB2 GLU 15 2HB GLU 15 8.044 -0.808 -6.344 137 HB3 GLU 15 1HB GLU 15 6.739 -1.927 -6.715 138 HG2 GLU 15 2HG GLU 15 6.429 0.508 -8.210 139 HG3 GLU 15 1HG GLU 15 8.036 -0.176 -8.458 140 H ALA 16 H ALA 16 5.467 -2.217 -4.542 141 HA ALA 16 HA ALA 16 7.206 -1.951 -2.312 142 HB1 ALA 16 1HB ALA 16 4.371 -1.849 -1.399 143 HB2 ALA 16 2HB ALA 16 5.064 -0.343 -2.001 144 HB3 ALA 16 3HB ALA 16 5.818 -1.179 -0.641 145 H ILE 17 H ILE 17 7.340 -3.855 -1.187 146 HA ILE 17 HA ILE 17 5.407 -5.971 -1.812 147 HB ILE 17 HB ILE 17 7.442 -7.554 -1.850 148 HG12 ILE 17 2HG1 ILE 17 8.756 -4.960 -2.695 149 HG13 ILE 17 1HG1 ILE 17 9.118 -5.867 -1.228 150 HG21 ILE 17 1HG2 ILE 17 7.644 -6.291 -4.407 151 HG22 ILE 17 2HG2 ILE 17 5.971 -6.225 -3.855 152 HG23 ILE 17 3HG2 ILE 17 6.803 -7.777 -3.965 153 HD11 ILE 17 3HD1 ILE 17 10.805 -6.273 -2.896 154 HD12 ILE 17 1HD1 ILE 17 9.578 -6.781 -4.057 155 HD13 ILE 17 2HD1 ILE 17 9.880 -7.749 -2.614 156 H LYS 18 H LYS 18 5.055 -7.446 -0.208 157 HA LYS 18 HA LYS 18 6.729 -7.318 2.176 158 HB2 LYS 18 2HB LYS 18 3.738 -7.135 2.444 159 HB3 LYS 18 1HB LYS 18 4.966 -6.812 3.663 160 HG2 LYS 18 2HG LYS 18 4.647 -5.164 1.189 161 HG3 LYS 18 1HG LYS 18 3.809 -4.800 2.691 162 HD2 LYS 18 2HD LYS 18 5.744 -4.145 3.754 163 HD3 LYS 18 1HD LYS 18 6.766 -5.188 2.765 164 HE2 LYS 18 2HE LYS 18 6.093 -3.615 0.829 165 HE3 LYS 18 1HE LYS 18 5.613 -2.503 2.110 166 HZ1 LYS 18 3HZ LYS 18 8.057 -2.579 1.096 167 HZ2 LYS 18 1HZ LYS 18 8.257 -3.689 2.357 168 HZ3 LYS 18 2HZ LYS 18 7.742 -2.114 2.691 169 H GLU 19 H GLU 19 6.933 -9.209 3.235 170 HA GLU 19 HA GLU 19 5.397 -11.490 2.191 171 HB2 GLU 19 2HB GLU 19 8.197 -11.085 2.656 172 HB3 GLU 19 1HB GLU 19 7.631 -12.392 3.686 173 HG2 GLU 19 2HG GLU 19 6.521 -12.758 1.101 174 HG3 GLU 19 1HG GLU 19 8.248 -12.447 0.924 175 H ALA 20 H ALA 20 3.744 -11.935 3.510 176 HA ALA 20 HA ALA 20 4.319 -12.374 6.341 177 HB1 ALA 20 1HB ALA 20 2.871 -10.857 7.180 178 HB2 ALA 20 2HB ALA 20 1.762 -10.997 5.816 179 HB3 ALA 20 3HB ALA 20 3.225 -10.022 5.667 180 H VAL 21 H VAL 21 2.358 -13.391 7.442 181 HA VAL 21 HA VAL 21 1.541 -15.644 5.840 182 HB VAL 21 HB VAL 21 2.205 -15.943 8.191 183 HG11 VAL 21 1HG1 VAL 21 -0.303 -14.386 8.807 184 HG12 VAL 21 2HG1 VAL 21 1.355 -13.871 9.116 185 HG13 VAL 21 3HG1 VAL 21 0.683 -15.248 9.990 186 HG21 VAL 21 3HG2 VAL 21 0.821 -17.700 8.463 187 HG22 VAL 21 1HG2 VAL 21 0.236 -17.237 6.866 188 HG23 VAL 21 2HG2 VAL 21 -0.634 -16.713 8.312 189 H ASP 22 H ASP 22 0.103 -12.713 7.056 190 HA ASP 22 HA ASP 22 -2.495 -13.536 5.965 191 HB2 ASP 22 2HB ASP 22 -2.001 -12.652 8.471 192 HB3 ASP 22 1HB ASP 22 -2.319 -11.116 7.670 193 H ALA 23 H ALA 23 -3.364 -10.694 6.055 194 HA ALA 23 HA ALA 23 -1.846 -9.648 3.762 195 HB1 ALA 23 1HB ALA 23 -3.690 -9.373 2.469 196 HB2 ALA 23 2HB ALA 23 -4.758 -9.121 3.851 197 HB3 ALA 23 3HB ALA 23 -4.247 -10.752 3.417 198 H GLY 24 H GLY 24 -3.974 -8.930 6.491 199 HA2 GLY 24 2HA GLY 24 -4.105 -6.177 6.329 200 HA3 GLY 24 1HA GLY 24 -4.120 -7.076 7.836 201 H ILE 25 H ILE 25 -1.386 -8.153 7.171 202 HA ILE 25 HA ILE 25 0.097 -6.149 8.544 203 HB ILE 25 HB ILE 25 0.924 -8.739 7.232 204 HG12 ILE 25 2HG1 ILE 25 -0.353 -9.041 9.258 205 HG13 ILE 25 1HG1 ILE 25 1.332 -9.399 9.610 206 HG21 ILE 25 1HG2 ILE 25 2.594 -6.548 8.299 207 HG22 ILE 25 2HG2 ILE 25 2.964 -7.768 7.082 208 HG23 ILE 25 3HG2 ILE 25 3.032 -8.182 8.795 209 HD11 ILE 25 3HD1 ILE 25 -0.249 -6.971 10.380 210 HD12 ILE 25 1HD1 ILE 25 1.511 -7.034 10.481 211 HD13 ILE 25 2HD1 ILE 25 0.532 -8.153 11.430 212 H ALA 26 H ALA 26 0.072 -7.329 5.190 213 HA ALA 26 HA ALA 26 2.179 -5.707 4.296 214 HB1 ALA 26 1HB ALA 26 -0.106 -6.709 2.626 215 HB2 ALA 26 2HB ALA 26 1.315 -7.663 3.056 216 HB3 ALA 26 3HB ALA 26 1.492 -6.208 2.068 217 H GLU 27 H GLU 27 -1.348 -5.178 4.253 218 HA GLU 27 HA GLU 27 -1.299 -2.744 2.876 219 HB2 GLU 27 2HB GLU 27 -3.454 -2.209 3.901 220 HB3 GLU 27 1HB GLU 27 -3.430 -3.869 3.328 221 HG2 GLU 27 2HG GLU 27 -2.837 -4.516 5.691 222 HG3 GLU 27 1HG GLU 27 -3.241 -2.864 6.145 223 H LYS 28 H LYS 28 -0.620 -3.527 6.208 224 HA LYS 28 HA LYS 28 -0.639 -0.906 7.250 225 HB2 LYS 28 2HB LYS 28 1.008 -3.287 8.134 226 HB3 LYS 28 1HB LYS 28 0.742 -1.823 9.072 227 HG2 LYS 28 2HG LYS 28 -1.734 -3.068 8.194 228 HG3 LYS 28 1HG LYS 28 -0.747 -4.126 9.203 229 HD2 LYS 28 2HD LYS 28 -1.271 -2.977 11.039 230 HD3 LYS 28 1HD LYS 28 -0.812 -1.450 10.281 231 HE2 LYS 28 2HE LYS 28 -2.998 -0.966 10.494 232 HE3 LYS 28 1HE LYS 28 -3.162 -1.942 9.035 233 HZ1 LYS 28 3HZ LYS 28 -3.269 -3.817 10.938 234 HZ2 LYS 28 1HZ LYS 28 -4.633 -3.062 10.280 235 HZ3 LYS 28 2HZ LYS 28 -3.992 -2.520 11.748 236 H TYR 29 H TYR 29 1.755 -2.784 5.508 237 HA TYR 29 HA TYR 29 3.825 -0.776 5.861 238 HB2 TYR 29 2HB TYR 29 3.673 -3.490 4.720 239 HB3 TYR 29 1HB TYR 29 4.765 -2.382 3.886 240 HD1 TYR 29 2HD TYR 29 5.718 -0.667 5.969 241 HD2 TYR 29 1HD TYR 29 5.169 -4.881 6.032 242 HE1 TYR 29 2HE TYR 29 7.427 -0.829 7.688 243 HE2 TYR 29 1HE TYR 29 6.899 -5.077 7.768 244 HH TYR 29 HH TYR 29 7.987 -3.737 9.453 245 H PHE 30 H PHE 30 1.626 -1.907 3.497 246 HA PHE 30 HA PHE 30 2.596 -0.514 1.273 247 HB2 PHE 30 2HB PHE 30 -0.141 -1.576 2.033 248 HB3 PHE 30 1HB PHE 30 0.203 -0.901 0.440 249 HD1 PHE 30 2HD PHE 30 3.180 -2.286 0.799 250 HD2 PHE 30 1HD PHE 30 -0.822 -3.589 0.808 251 HE1 PHE 30 2HE PHE 30 3.909 -4.443 -0.084 252 HE2 PHE 30 1HE PHE 30 -0.125 -5.782 -0.060 253 HZ PHE 30 HZ PHE 30 2.259 -6.196 -0.504 254 H LYS 31 H LYS 31 0.351 0.181 3.865 255 HA LYS 31 HA LYS 31 -0.228 2.844 2.912 256 HB2 LYS 31 2HB LYS 31 -1.636 3.064 4.823 257 HB3 LYS 31 1HB LYS 31 -1.875 1.429 4.222 258 HG2 LYS 31 2HG LYS 31 -0.162 0.714 5.968 259 HG3 LYS 31 1HG LYS 31 -0.366 2.324 6.659 260 HD2 LYS 31 2HD LYS 31 -2.565 0.306 6.212 261 HD3 LYS 31 1HD LYS 31 -1.805 0.675 7.762 262 HE2 LYS 31 2HE LYS 31 -2.668 2.894 7.746 263 HE3 LYS 31 1HE LYS 31 -3.203 2.738 6.073 264 HZ1 LYS 31 3HZ LYS 31 -5.035 2.530 7.652 265 HZ2 LYS 31 1HZ LYS 31 -4.287 1.190 8.364 266 HZ3 LYS 31 2HZ LYS 31 -4.826 1.107 6.764 267 H LEU 32 H LEU 32 2.121 1.204 4.836 268 HA LEU 32 HA LEU 32 2.943 3.414 6.444 269 HB2 LEU 32 2HB LEU 32 3.550 0.835 6.563 270 HB3 LEU 32 1HB LEU 32 4.950 1.365 5.646 271 HG LEU 32 HG LEU 32 5.371 3.051 7.465 272 HD11 LEU 32 1HD1 LEU 32 4.322 2.747 9.603 273 HD12 LEU 32 2HD1 LEU 32 3.390 1.383 8.999 274 HD13 LEU 32 3HD1 LEU 32 3.076 3.007 8.389 275 HD21 LEU 32 3HD2 LEU 32 6.323 1.373 9.012 276 HD22 LEU 32 1HD2 LEU 32 6.685 1.033 7.322 277 HD23 LEU 32 2HD2 LEU 32 5.425 0.117 8.154 278 H ILE 33 H ILE 33 4.052 2.158 3.310 279 HA ILE 33 HA ILE 33 5.856 4.413 3.020 280 HB ILE 33 HB ILE 33 6.623 2.217 2.240 281 HG12 ILE 33 2HG1 ILE 33 7.622 2.970 0.241 282 HG13 ILE 33 1HG1 ILE 33 6.217 3.934 -0.202 283 HG21 ILE 33 1HG2 ILE 33 5.494 0.870 0.836 284 HG22 ILE 33 2HG2 ILE 33 4.905 2.210 -0.147 285 HG23 ILE 33 3HG2 ILE 33 4.100 1.807 1.369 286 HD11 ILE 33 3HD1 ILE 33 8.418 5.038 0.724 287 HD12 ILE 33 1HD1 ILE 33 7.680 4.649 2.278 288 HD13 ILE 33 2HD1 ILE 33 6.826 5.681 1.131 289 H ALA 34 H ALA 34 2.781 3.243 1.731 290 HA ALA 34 HA ALA 34 2.534 5.036 -0.410 291 HB1 ALA 34 1HB ALA 34 0.061 4.678 -0.103 292 HB2 ALA 34 2HB ALA 34 0.457 3.708 1.314 293 HB3 ALA 34 3HB ALA 34 1.017 3.206 -0.280 294 H ASN 35 H ASN 35 2.087 5.407 3.026 295 HA ASN 35 HA ASN 35 0.873 8.034 2.747 296 HB2 ASN 35 2HB ASN 35 0.268 6.352 4.574 297 HB3 ASN 35 1HB ASN 35 1.822 6.742 5.305 298 HD21 ASN 35 1HD2 ASN 35 -0.680 7.138 6.524 299 HD22 ASN 35 2HD2 ASN 35 -0.898 8.834 6.763 300 H ALA 36 H ALA 36 3.956 6.558 3.464 301 HA ALA 36 HA ALA 36 5.221 8.974 4.354 302 HB1 ALA 36 1HB ALA 36 6.441 7.292 5.213 303 HB2 ALA 36 2HB ALA 36 7.286 7.362 3.666 304 HB3 ALA 36 3HB ALA 36 6.010 6.174 3.923 305 H LYS 37 H LYS 37 4.694 7.384 1.307 306 HA LYS 37 HA LYS 37 6.600 9.106 -0.067 307 HB2 LYS 37 2HB LYS 37 4.913 6.786 -0.979 308 HB3 LYS 37 1HB LYS 37 5.644 7.879 -2.140 309 HG2 LYS 37 2HG LYS 37 7.555 6.986 -0.160 310 HG3 LYS 37 1HG LYS 37 6.809 5.640 -1.024 311 HD2 LYS 37 2HD LYS 37 7.764 6.205 -3.000 312 HD3 LYS 37 1HD LYS 37 7.668 7.937 -2.673 313 HE2 LYS 37 2HE LYS 37 9.845 7.898 -2.223 314 HE3 LYS 37 1HE LYS 37 9.475 6.934 -0.794 315 HZ1 LYS 37 3HZ LYS 37 9.473 5.049 -2.663 316 HZ2 LYS 37 1HZ LYS 37 10.859 5.489 -1.797 317 HZ3 LYS 37 2HZ LYS 37 10.595 6.114 -3.347 318 H THR 38 H THR 38 3.117 8.432 -0.097 319 HA THR 38 HA THR 38 2.564 11.197 -0.772 320 HB THR 38 HB THR 38 1.339 10.770 -2.766 321 HG1 THR 38 1HG THR 38 1.819 8.002 -2.403 322 HG21 THR 38 3HG2 THR 38 3.795 9.047 -2.980 323 HG22 THR 38 1HG2 THR 38 3.774 10.805 -3.119 324 HG23 THR 38 2HG2 THR 38 2.919 9.817 -4.303 325 H VAL 39 H VAL 39 -0.214 10.464 -1.586 326 HA VAL 39 HA VAL 39 -1.419 8.918 0.437 327 HB VAL 39 HB VAL 39 -0.580 11.029 1.686 328 HG11 VAL 39 1HG1 VAL 39 -1.423 12.654 0.039 329 HG12 VAL 39 2HG1 VAL 39 -2.055 12.944 1.659 330 HG13 VAL 39 3HG1 VAL 39 -3.073 12.177 0.439 331 HG21 VAL 39 3HG2 VAL 39 -3.455 10.737 2.243 332 HG22 VAL 39 1HG2 VAL 39 -2.063 10.538 3.307 333 HG23 VAL 39 2HG2 VAL 39 -2.524 9.239 2.207 334 H GLU 40 H GLU 40 -3.943 9.650 0.585 335 HA GLU 40 HA GLU 40 -5.910 9.837 -0.508 336 HB2 GLU 40 2HB GLU 40 -5.197 12.136 -0.913 337 HB3 GLU 40 1HB GLU 40 -4.328 11.624 -2.358 338 HG2 GLU 40 2HG GLU 40 -6.169 11.651 -3.607 339 HG3 GLU 40 1HG GLU 40 -7.127 10.833 -2.373 340 H GLY 41 H GLY 41 -7.006 8.613 -1.886 341 HA2 GLY 41 2HA GLY 41 -6.823 7.860 -4.405 342 HA3 GLY 41 1HA GLY 41 -5.426 6.994 -3.770 343 H VAL 42 H VAL 42 -7.690 5.811 -5.031 344 HA VAL 42 HA VAL 42 -9.359 4.661 -2.984 345 HB VAL 42 HB VAL 42 -10.254 3.232 -4.783 346 HG11 VAL 42 1HG1 VAL 42 -10.159 5.964 -5.957 347 HG12 VAL 42 2HG1 VAL 42 -10.829 5.756 -4.338 348 HG13 VAL 42 3HG1 VAL 42 -11.535 4.890 -5.703 349 HG21 VAL 42 3HG2 VAL 42 -8.575 2.749 -6.275 350 HG22 VAL 42 1HG2 VAL 42 -7.961 4.402 -6.288 351 HG23 VAL 42 2HG2 VAL 42 -9.445 4.007 -7.155 352 H TRP 43 H TRP 43 -8.413 3.353 -1.581 353 HA TRP 43 HA TRP 43 -6.204 1.675 -2.260 354 HB2 TRP 43 2HB TRP 43 -7.663 2.562 0.123 355 HB3 TRP 43 1HB TRP 43 -7.004 0.945 0.238 356 HD1 TRP 43 HD TRP 43 -5.970 4.616 0.034 357 HE1 TRP 43 1HE TRP 43 -3.474 4.823 0.599 358 HE3 TRP 43 3HE TRP 43 -4.693 -0.369 0.142 359 HZ2 TRP 43 2HZ TRP 43 -1.276 3.122 1.032 360 HZ3 TRP 43 3HZ TRP 43 -2.356 -0.937 0.639 361 HH2 TRP 43 HH TRP 43 -0.700 0.760 1.064 362 H THR 44 H THR 44 -6.299 -0.340 -2.989 363 HA THR 44 HA THR 44 -8.514 -2.076 -2.241 364 HB THR 44 HB THR 44 -8.608 -2.796 -4.740 365 HG1 THR 44 1HG THR 44 -7.694 -0.126 -5.007 366 HG21 THR 44 3HG2 THR 44 -9.834 -0.141 -4.598 367 HG22 THR 44 1HG2 THR 44 -10.250 -1.231 -3.276 368 HG23 THR 44 2HG2 THR 44 -10.552 -1.714 -4.945 369 H TYR 45 H TYR 45 -8.107 -4.347 -2.817 370 HA TYR 45 HA TYR 45 -5.297 -4.965 -3.365 371 HB2 TYR 45 2HB TYR 45 -5.165 -5.094 -1.046 372 HB3 TYR 45 1HB TYR 45 -6.814 -5.701 -0.875 373 HD1 TYR 45 2HD TYR 45 -3.372 -6.636 -1.884 374 HD2 TYR 45 1HD TYR 45 -7.246 -8.024 -0.807 375 HE1 TYR 45 2HE TYR 45 -2.494 -8.925 -1.699 376 HE2 TYR 45 1HE TYR 45 -6.379 -10.317 -0.618 377 HH TYR 45 HH TYR 45 -4.282 -11.471 -0.274 378 H LYS 46 H LYS 46 -4.963 -6.776 -4.537 379 HA LYS 46 HA LYS 46 -7.363 -8.206 -5.438 380 HB2 LYS 46 2HB LYS 46 -4.621 -8.204 -6.709 381 HB3 LYS 46 1HB LYS 46 -6.124 -8.802 -7.414 382 HG2 LYS 46 2HG LYS 46 -6.981 -6.620 -7.677 383 HG3 LYS 46 1HG LYS 46 -5.725 -5.923 -6.652 384 HD2 LYS 46 2HD LYS 46 -4.043 -6.373 -8.296 385 HD3 LYS 46 1HD LYS 46 -5.178 -7.303 -9.275 386 HE2 LYS 46 2HE LYS 46 -4.898 -5.131 -10.264 387 HE3 LYS 46 1HE LYS 46 -6.522 -5.245 -9.586 388 HZ1 LYS 46 3HZ LYS 46 -4.895 -3.195 -9.149 389 HZ2 LYS 46 1HZ LYS 46 -4.479 -4.163 -7.826 390 HZ3 LYS 46 2HZ LYS 46 -6.085 -3.678 -8.050 391 H ASP 47 H ASP 47 -7.602 -10.359 -5.177 392 HA ASP 47 HA ASP 47 -5.688 -11.702 -3.437 393 HB2 ASP 47 2HB ASP 47 -8.089 -11.812 -2.887 394 HB3 ASP 47 1HB ASP 47 -8.401 -12.613 -4.427 395 H GLU 48 H GLU 48 -6.774 -11.726 -6.723 396 HA GLU 48 HA GLU 48 -6.204 -14.216 -7.656 397 HB2 GLU 48 2HB GLU 48 -5.605 -11.556 -8.945 398 HB3 GLU 48 1HB GLU 48 -5.495 -13.083 -9.794 399 HG2 GLU 48 2HG GLU 48 -8.011 -13.113 -8.616 400 HG3 GLU 48 1HG GLU 48 -7.801 -11.468 -9.215 401 H ILE 49 H ILE 49 -3.891 -11.769 -6.675 402 HA ILE 49 HA ILE 49 -1.797 -13.762 -6.672 403 HB ILE 49 HB ILE 49 -0.200 -12.409 -7.933 404 HG12 ILE 49 2HG1 ILE 49 -1.314 -10.218 -7.493 405 HG13 ILE 49 1HG1 ILE 49 -0.854 -10.460 -9.176 406 HG21 ILE 49 1HG2 ILE 49 -2.708 -12.971 -9.508 407 HG22 ILE 49 2HG2 ILE 49 -1.490 -14.168 -9.065 408 HG23 ILE 49 3HG2 ILE 49 -1.073 -12.845 -10.156 409 HD11 ILE 49 3HD1 ILE 49 -2.922 -9.878 -9.705 410 HD12 ILE 49 1HD1 ILE 49 -3.449 -9.965 -8.024 411 HD13 ILE 49 2HD1 ILE 49 -3.452 -11.416 -9.026 412 H LYS 50 H LYS 50 -3.303 -11.951 -4.786 413 HA LYS 50 HA LYS 50 -2.912 -10.609 -2.982 414 HB2 LYS 50 2HB LYS 50 -0.140 -11.775 -2.933 415 HB3 LYS 50 1HB LYS 50 -1.156 -11.310 -1.576 416 HG2 LYS 50 2HG LYS 50 -2.583 -13.279 -2.974 417 HG3 LYS 50 1HG LYS 50 -0.916 -13.840 -2.878 418 HD2 LYS 50 2HD LYS 50 -0.925 -13.890 -0.563 419 HD3 LYS 50 1HD LYS 50 -2.254 -12.734 -0.448 420 HE2 LYS 50 2HE LYS 50 -3.097 -14.879 0.169 421 HE3 LYS 50 1HE LYS 50 -3.755 -14.472 -1.416 422 HZ1 LYS 50 3HZ LYS 50 -2.606 -16.807 -0.840 423 HZ2 LYS 50 1HZ LYS 50 -1.262 -15.965 -1.428 424 HZ3 LYS 50 2HZ LYS 50 -2.637 -16.143 -2.396 425 H THR 51 H THR 51 -2.946 -8.686 -4.339 426 HA THR 51 HA THR 51 -0.427 -7.239 -4.126 427 HB THR 51 HB THR 51 -1.962 -7.556 -6.708 428 HG1 THR 51 1HG THR 51 -0.120 -8.505 -7.429 429 HG21 THR 51 3HG2 THR 51 0.463 -5.833 -6.295 430 HG22 THR 51 1HG2 THR 51 -1.184 -5.209 -6.365 431 HG23 THR 51 2HG2 THR 51 -0.490 -6.029 -7.764 432 H PHE 52 H PHE 52 -0.774 -5.345 -3.219 433 HA PHE 52 HA PHE 52 -3.477 -4.267 -3.108 434 HB2 PHE 52 2HB PHE 52 -1.072 -4.087 -1.487 435 HB3 PHE 52 1HB PHE 52 -1.818 -2.520 -1.720 436 HD1 PHE 52 2HD PHE 52 -4.029 -2.061 -0.832 437 HD2 PHE 52 1HD PHE 52 -2.145 -5.828 -0.226 438 HE1 PHE 52 2HE PHE 52 -5.657 -2.585 0.939 439 HE2 PHE 52 1HE PHE 52 -3.768 -6.360 1.546 440 HZ PHE 52 HZ PHE 52 -5.526 -4.737 2.131 441 H THR 53 H THR 53 -4.070 -2.308 -3.946 442 HA THR 53 HA THR 53 -2.082 -0.755 -5.421 443 HB THR 53 HB THR 53 -4.620 -1.774 -6.704 444 HG1 THR 53 1HG THR 53 -1.920 -2.456 -7.232 445 HG21 THR 53 3HG2 THR 53 -3.426 -0.954 -8.797 446 HG22 THR 53 1HG2 THR 53 -2.431 0.006 -7.703 447 HG23 THR 53 2HG2 THR 53 -4.176 0.257 -7.756 448 H VAL 54 H VAL 54 -2.515 1.394 -5.638 449 HA VAL 54 HA VAL 54 -5.078 2.350 -4.547 450 HB VAL 54 HB VAL 54 -2.601 2.781 -3.326 451 HG11 VAL 54 1HG1 VAL 54 -2.017 4.459 -5.047 452 HG12 VAL 54 2HG1 VAL 54 -2.232 5.209 -3.464 453 HG13 VAL 54 3HG1 VAL 54 -3.498 5.342 -4.684 454 HG21 VAL 54 3HG2 VAL 54 -4.706 2.831 -2.168 455 HG22 VAL 54 1HG2 VAL 54 -5.237 4.241 -3.083 456 HG23 VAL 54 2HG2 VAL 54 -3.919 4.391 -1.920 457 H THR 55 H THR 55 -6.210 3.542 -5.931 458 HA THR 55 HA THR 55 -4.809 4.646 -8.267 459 HB THR 55 HB THR 55 -7.746 4.638 -8.325 460 HG1 THR 55 1HG THR 55 -7.945 2.428 -8.483 461 HG21 THR 55 3HG2 THR 55 -6.505 5.065 -10.337 462 HG22 THR 55 1HG2 THR 55 -7.382 3.543 -10.495 463 HG23 THR 55 2HG2 THR 55 -5.647 3.534 -10.173 464 H GLU 56 H GLU 56 -4.975 6.767 -8.836 465 HA GLU 56 HA GLU 56 -5.024 9.009 -8.395 466 HB2 GLU 56 2HB GLU 56 -7.251 9.932 -8.214 467 HB3 GLU 56 1HB GLU 56 -7.275 8.566 -9.321 468 HG2 GLU 56 2HG GLU 56 -8.294 7.163 -7.685 469 HG3 GLU 56 1HG GLU 56 -8.082 8.385 -6.431 Start of MODEL 5 1 H1 THR 1 1HT THR 1 1.960 -15.184 -0.089 2 H2 THR 1 2HT THR 1 1.528 -14.351 1.354 3 H3 THR 1 3HT THR 1 1.662 -16.066 1.350 4 HA THR 1 HA THR 1 3.542 -15.112 2.391 5 HB THR 1 HB THR 1 4.055 -16.243 -0.374 6 HG1 THR 1 1HG THR 1 3.808 -17.479 2.164 7 HG21 THR 1 3HG2 THR 1 5.946 -15.339 1.541 8 HG22 THR 1 1HG2 THR 1 6.227 -16.150 0.001 9 HG23 THR 1 2HG2 THR 1 6.006 -17.097 1.471 10 H THR 2 H THR 2 4.159 -14.424 -1.042 11 HA THR 2 HA THR 2 5.457 -11.935 -0.270 12 HB THR 2 HB THR 2 5.283 -13.227 -3.001 13 HG1 THR 2 1HG THR 2 7.367 -13.381 -1.087 14 HG21 THR 2 3HG2 THR 2 6.514 -10.782 -2.040 15 HG22 THR 2 1HG2 THR 2 6.213 -11.333 -3.689 16 HG23 THR 2 2HG2 THR 2 7.657 -11.861 -2.829 17 H TYR 3 H TYR 3 4.556 -10.002 -0.494 18 HA TYR 3 HA TYR 3 2.071 -9.801 -2.063 19 HB2 TYR 3 2HB TYR 3 2.978 -8.526 0.483 20 HB3 TYR 3 1HB TYR 3 1.900 -7.624 -0.578 21 HD1 TYR 3 2HD TYR 3 1.760 -11.291 -0.179 22 HD2 TYR 3 1HD TYR 3 0.050 -7.545 0.874 23 HE1 TYR 3 2HE TYR 3 -0.189 -12.457 0.764 24 HE2 TYR 3 1HE TYR 3 -1.909 -8.699 1.823 25 HH TYR 3 HH TYR 3 -2.825 -11.608 1.168 26 H LYS 4 H LYS 4 1.679 -7.849 -3.246 27 HA LYS 4 HA LYS 4 4.086 -6.279 -3.873 28 HB2 LYS 4 2HB LYS 4 2.200 -7.619 -5.801 29 HB3 LYS 4 1HB LYS 4 3.212 -6.259 -6.281 30 HG2 LYS 4 2HG LYS 4 4.654 -7.876 -6.862 31 HG3 LYS 4 1HG LYS 4 5.063 -7.854 -5.146 32 HD2 LYS 4 2HD LYS 4 4.720 -10.119 -5.649 33 HD3 LYS 4 1HD LYS 4 3.226 -9.606 -4.865 34 HE2 LYS 4 2HE LYS 4 2.230 -9.261 -7.112 35 HE3 LYS 4 1HE LYS 4 3.701 -9.918 -7.826 36 HZ1 LYS 4 3HZ LYS 4 1.774 -11.496 -7.512 37 HZ2 LYS 4 1HZ LYS 4 2.096 -11.431 -5.853 38 HZ3 LYS 4 2HZ LYS 4 3.271 -12.012 -6.916 39 H LEU 5 H LEU 5 3.783 -4.128 -4.171 40 HA LEU 5 HA LEU 5 1.015 -3.115 -3.996 41 HB2 LEU 5 2HB LEU 5 2.503 -2.678 -1.948 42 HB3 LEU 5 1HB LEU 5 3.479 -1.685 -3.036 43 HG LEU 5 HG LEU 5 1.776 -0.090 -3.334 44 HD11 LEU 5 1HD1 LEU 5 0.018 -2.269 -2.666 45 HD12 LEU 5 2HD1 LEU 5 -0.322 -0.765 -3.516 46 HD13 LEU 5 3HD1 LEU 5 -0.388 -0.816 -1.756 47 HD21 LEU 5 3HD2 LEU 5 1.061 0.313 -0.839 48 HD22 LEU 5 1HD2 LEU 5 2.736 0.510 -1.353 49 HD23 LEU 5 2HD2 LEU 5 2.234 -0.967 -0.533 50 H ILE 6 H ILE 6 0.435 -1.390 -5.233 51 HA ILE 6 HA ILE 6 2.483 -0.212 -6.932 52 HB ILE 6 HB ILE 6 -0.161 -1.233 -8.000 53 HG12 ILE 6 2HG1 ILE 6 1.448 -2.583 -9.491 54 HG13 ILE 6 1HG1 ILE 6 2.681 -2.188 -8.298 55 HG21 ILE 6 1HG2 ILE 6 1.841 0.655 -9.055 56 HG22 ILE 6 2HG2 ILE 6 0.116 0.518 -9.393 57 HG23 ILE 6 3HG2 ILE 6 1.258 -0.566 -10.187 58 HD11 ILE 6 3HD1 ILE 6 0.434 -3.170 -6.898 59 HD12 ILE 6 1HD1 ILE 6 2.025 -3.907 -7.081 60 HD13 ILE 6 2HD1 ILE 6 0.750 -4.263 -8.246 61 H LEU 7 H LEU 7 2.408 1.900 -6.552 62 HA LEU 7 HA LEU 7 -0.103 3.083 -5.631 63 HB2 LEU 7 2HB LEU 7 2.642 4.327 -5.634 64 HB3 LEU 7 1HB LEU 7 1.211 4.918 -4.801 65 HG LEU 7 HG LEU 7 1.276 2.742 -3.466 66 HD11 LEU 7 1HD1 LEU 7 3.754 2.511 -5.061 67 HD12 LEU 7 2HD1 LEU 7 2.697 1.257 -4.414 68 HD13 LEU 7 3HD1 LEU 7 3.855 2.064 -3.358 69 HD21 LEU 7 3HD2 LEU 7 3.420 3.690 -2.200 70 HD22 LEU 7 1HD2 LEU 7 1.853 4.499 -2.150 71 HD23 LEU 7 2HD2 LEU 7 3.102 5.064 -3.260 72 H ASN 8 H ASN 8 -1.228 4.511 -6.767 73 HA ASN 8 HA ASN 8 -0.004 5.573 -9.234 74 HB2 ASN 8 2HB ASN 8 -2.433 3.989 -8.893 75 HB3 ASN 8 1HB ASN 8 -2.724 5.494 -9.768 76 HD21 ASN 8 1HD2 ASN 8 -3.127 4.433 -11.690 77 HD22 ASN 8 2HD2 ASN 8 -1.877 3.682 -12.615 78 H LEU 9 H LEU 9 0.390 7.638 -8.725 79 HA LEU 9 HA LEU 9 -1.879 9.256 -7.767 80 HB2 LEU 9 2HB LEU 9 -0.587 10.381 -6.221 81 HB3 LEU 9 1HB LEU 9 0.127 8.773 -6.123 82 HG LEU 9 HG LEU 9 1.252 11.161 -7.596 83 HD11 LEU 9 1HD1 LEU 9 3.045 11.024 -5.985 84 HD12 LEU 9 2HD1 LEU 9 2.301 9.613 -5.233 85 HD13 LEU 9 3HD1 LEU 9 1.502 11.183 -5.145 86 HD21 LEU 9 3HD2 LEU 9 3.206 9.626 -7.972 87 HD22 LEU 9 1HD2 LEU 9 1.764 9.254 -8.918 88 HD23 LEU 9 2HD2 LEU 9 2.157 8.291 -7.493 89 H LYS 10 H LYS 10 -0.895 11.748 -8.007 90 HA LYS 10 HA LYS 10 -0.838 12.096 -10.860 91 HB2 LYS 10 2HB LYS 10 -1.255 13.801 -8.497 92 HB3 LYS 10 1HB LYS 10 -0.462 14.599 -9.838 93 HG2 LYS 10 2HG LYS 10 -2.531 15.001 -10.563 94 HG3 LYS 10 1HG LYS 10 -2.505 13.321 -11.101 95 HD2 LYS 10 2HD LYS 10 -3.738 12.592 -9.267 96 HD3 LYS 10 1HD LYS 10 -3.356 14.031 -8.319 97 HE2 LYS 10 2HE LYS 10 -4.869 14.393 -10.849 98 HE3 LYS 10 1HE LYS 10 -5.721 13.684 -9.478 99 HZ1 LYS 10 3HZ LYS 10 -5.325 15.591 -8.180 100 HZ2 LYS 10 1HZ LYS 10 -5.838 16.171 -9.685 101 HZ3 LYS 10 2HZ LYS 10 -4.198 16.217 -9.274 102 H GLN 11 H GLN 11 1.295 10.830 -10.842 103 HA GLN 11 HA GLN 11 3.384 12.622 -11.477 104 HB2 GLN 11 2HB GLN 11 3.316 11.559 -8.747 105 HB3 GLN 11 1HB GLN 11 4.845 11.285 -9.579 106 HG2 GLN 11 2HG GLN 11 5.432 13.424 -9.423 107 HG3 GLN 11 1HG GLN 11 3.835 13.995 -9.903 108 HE21 GLN 11 1HE2 GLN 11 5.810 12.926 -7.222 109 HE22 GLN 11 2HE2 GLN 11 4.853 13.649 -5.978 110 H ALA 12 H ALA 12 3.601 9.426 -9.951 111 HA ALA 12 HA ALA 12 3.890 8.095 -12.496 112 HB1 ALA 12 1HB ALA 12 6.179 9.171 -11.554 113 HB2 ALA 12 2HB ALA 12 6.112 7.701 -12.528 114 HB3 ALA 12 3HB ALA 12 6.223 7.590 -10.770 115 H LYS 13 H LYS 13 5.052 5.748 -11.683 116 HA LYS 13 HA LYS 13 3.095 4.776 -9.720 117 HB2 LYS 13 2HB LYS 13 3.402 2.544 -10.769 118 HB3 LYS 13 1HB LYS 13 2.901 3.746 -11.961 119 HG2 LYS 13 2HG LYS 13 5.614 3.903 -12.129 120 HG3 LYS 13 1HG LYS 13 5.369 2.192 -11.769 121 HD2 LYS 13 2HD LYS 13 3.552 2.344 -13.630 122 HD3 LYS 13 1HD LYS 13 4.435 3.794 -14.121 123 HE2 LYS 13 2HE LYS 13 5.987 1.308 -13.623 124 HE3 LYS 13 1HE LYS 13 5.024 1.403 -15.096 125 HZ1 LYS 13 3HZ LYS 13 7.435 2.837 -14.362 126 HZ2 LYS 13 1HZ LYS 13 6.254 3.761 -15.144 127 HZ3 LYS 13 2HZ LYS 13 6.873 2.373 -15.890 128 H GLU 14 H GLU 14 3.727 3.451 -8.037 129 HA GLU 14 HA GLU 14 6.627 3.179 -7.610 130 HB2 GLU 14 2HB GLU 14 4.617 4.516 -5.955 131 HB3 GLU 14 1HB GLU 14 5.563 3.324 -5.061 132 HG2 GLU 14 2HG GLU 14 6.595 5.481 -4.866 133 HG3 GLU 14 1HG GLU 14 7.624 4.426 -5.832 134 H GLU 15 H GLU 15 7.251 1.403 -6.197 135 HA GLU 15 HA GLU 15 5.243 -0.752 -6.167 136 HB2 GLU 15 2HB GLU 15 8.192 -0.890 -6.779 137 HB3 GLU 15 1HB GLU 15 7.213 -2.311 -6.447 138 HG2 GLU 15 2HG GLU 15 5.884 -1.951 -8.379 139 HG3 GLU 15 1HG GLU 15 6.589 -0.356 -8.639 140 H ALA 16 H ALA 16 5.573 -2.428 -4.556 141 HA ALA 16 HA ALA 16 7.329 -2.043 -2.350 142 HB1 ALA 16 1HB ALA 16 4.523 -1.913 -1.392 143 HB2 ALA 16 2HB ALA 16 5.124 -0.445 -2.165 144 HB3 ALA 16 3HB ALA 16 5.962 -1.109 -0.760 145 H ILE 17 H ILE 17 7.444 -3.900 -1.124 146 HA ILE 17 HA ILE 17 5.492 -6.018 -1.661 147 HB ILE 17 HB ILE 17 7.527 -7.619 -1.656 148 HG12 ILE 17 2HG1 ILE 17 8.876 -5.235 -2.914 149 HG13 ILE 17 1HG1 ILE 17 9.091 -5.624 -1.210 150 HG21 ILE 17 1HG2 ILE 17 6.509 -7.872 -3.631 151 HG22 ILE 17 2HG2 ILE 17 7.758 -6.801 -4.267 152 HG23 ILE 17 3HG2 ILE 17 6.193 -6.144 -3.789 153 HD11 ILE 17 3HD1 ILE 17 10.903 -6.483 -2.618 154 HD12 ILE 17 1HD1 ILE 17 9.735 -7.469 -3.497 155 HD13 ILE 17 2HD1 ILE 17 10.031 -7.771 -1.786 156 H LYS 18 H LYS 18 5.165 -7.469 -0.034 157 HA LYS 18 HA LYS 18 6.822 -7.244 2.359 158 HB2 LYS 18 2HB LYS 18 3.818 -7.168 2.565 159 HB3 LYS 18 1HB LYS 18 5.006 -6.799 3.812 160 HG2 LYS 18 2HG LYS 18 4.694 -5.189 1.315 161 HG3 LYS 18 1HG LYS 18 3.823 -4.827 2.799 162 HD2 LYS 18 2HD LYS 18 5.762 -4.191 3.917 163 HD3 LYS 18 1HD LYS 18 6.804 -5.119 2.840 164 HE2 LYS 18 2HE LYS 18 6.344 -3.532 1.033 165 HE3 LYS 18 1HE LYS 18 5.308 -2.602 2.115 166 HZ1 LYS 18 3HZ LYS 18 7.067 -1.712 3.178 167 HZ2 LYS 18 1HZ LYS 18 7.873 -2.057 1.730 168 HZ3 LYS 18 2HZ LYS 18 8.015 -3.107 3.050 169 H GLU 19 H GLU 19 7.356 -9.179 3.088 170 HA GLU 19 HA GLU 19 5.944 -11.522 2.106 171 HB2 GLU 19 2HB GLU 19 8.584 -11.026 2.494 172 HB3 GLU 19 1HB GLU 19 8.192 -11.863 3.990 173 HG2 GLU 19 2HG GLU 19 7.116 -13.168 1.617 174 HG3 GLU 19 1HG GLU 19 8.876 -13.054 1.623 175 H ALA 20 H ALA 20 4.173 -12.086 3.205 176 HA ALA 20 HA ALA 20 4.403 -12.619 6.048 177 HB1 ALA 20 1HB ALA 20 2.399 -11.345 6.640 178 HB2 ALA 20 2HB ALA 20 2.315 -10.717 4.995 179 HB3 ALA 20 3HB ALA 20 3.681 -10.298 6.030 180 H VAL 21 H VAL 21 2.478 -13.762 6.892 181 HA VAL 21 HA VAL 21 1.561 -15.689 4.932 182 HB VAL 21 HB VAL 21 2.359 -16.446 7.140 183 HG11 VAL 21 1HG1 VAL 21 1.016 -14.347 8.174 184 HG12 VAL 21 2HG1 VAL 21 1.550 -15.734 9.116 185 HG13 VAL 21 3HG1 VAL 21 -0.110 -15.655 8.526 186 HG21 VAL 21 3HG2 VAL 21 1.092 -18.161 6.439 187 HG22 VAL 21 1HG2 VAL 21 -0.251 -17.112 5.991 188 HG23 VAL 21 2HG2 VAL 21 -0.048 -17.610 7.669 189 H ASP 22 H ASP 22 0.285 -13.030 6.785 190 HA ASP 22 HA ASP 22 -2.440 -13.648 5.946 191 HB2 ASP 22 2HB ASP 22 -1.560 -11.367 7.717 192 HB3 ASP 22 1HB ASP 22 -3.169 -12.069 7.576 193 H ALA 23 H ALA 23 -3.063 -10.707 6.168 194 HA ALA 23 HA ALA 23 -1.807 -9.700 3.724 195 HB1 ALA 23 1HB ALA 23 -3.734 -9.456 2.526 196 HB2 ALA 23 2HB ALA 23 -4.744 -9.328 3.965 197 HB3 ALA 23 3HB ALA 23 -4.148 -10.903 3.444 198 H GLY 24 H GLY 24 -3.973 -9.017 6.451 199 HA2 GLY 24 2HA GLY 24 -4.113 -6.267 6.295 200 HA3 GLY 24 1HA GLY 24 -4.145 -7.166 7.800 201 H ILE 25 H ILE 25 -1.404 -8.231 7.191 202 HA ILE 25 HA ILE 25 0.056 -6.229 8.585 203 HB ILE 25 HB ILE 25 0.901 -8.814 7.275 204 HG12 ILE 25 2HG1 ILE 25 -0.397 -9.122 9.286 205 HG13 ILE 25 1HG1 ILE 25 1.285 -9.478 9.655 206 HG21 ILE 25 1HG2 ILE 25 3.038 -8.403 8.683 207 HG22 ILE 25 2HG2 ILE 25 2.575 -6.704 8.580 208 HG23 ILE 25 3HG2 ILE 25 2.882 -7.626 7.108 209 HD11 ILE 25 3HD1 ILE 25 1.096 -6.817 10.261 210 HD12 ILE 25 1HD1 ILE 25 0.993 -8.149 11.412 211 HD13 ILE 25 2HD1 ILE 25 -0.480 -7.443 10.746 212 H ALA 26 H ALA 26 0.044 -7.366 5.218 213 HA ALA 26 HA ALA 26 2.175 -5.740 4.369 214 HB1 ALA 26 1HB ALA 26 1.353 -7.684 3.094 215 HB2 ALA 26 2HB ALA 26 1.513 -6.216 2.123 216 HB3 ALA 26 3HB ALA 26 -0.081 -6.749 2.663 217 H GLU 27 H GLU 27 -1.355 -5.236 4.219 218 HA GLU 27 HA GLU 27 -1.303 -2.793 2.881 219 HB2 GLU 27 2HB GLU 27 -3.467 -2.267 3.913 220 HB3 GLU 27 1HB GLU 27 -3.436 -3.913 3.301 221 HG2 GLU 27 2HG GLU 27 -2.853 -4.613 5.652 222 HG3 GLU 27 1HG GLU 27 -3.266 -2.974 6.142 223 H LYS 28 H LYS 28 -0.661 -3.584 6.218 224 HA LYS 28 HA LYS 28 -0.693 -0.968 7.270 225 HB2 LYS 28 2HB LYS 28 0.939 -3.355 8.162 226 HB3 LYS 28 1HB LYS 28 0.671 -1.895 9.102 227 HG2 LYS 28 2HG LYS 28 -1.798 -3.139 8.192 228 HG3 LYS 28 1HG LYS 28 -0.825 -4.185 9.226 229 HD2 LYS 28 2HD LYS 28 -1.442 -3.040 11.032 230 HD3 LYS 28 1HD LYS 28 -0.872 -1.533 10.314 231 HE2 LYS 28 2HE LYS 28 -2.942 -0.904 9.674 232 HE3 LYS 28 1HE LYS 28 -3.426 -2.547 9.262 233 HZ1 LYS 28 3HZ LYS 28 -4.247 -2.914 11.310 234 HZ2 LYS 28 1HZ LYS 28 -4.367 -1.227 11.364 235 HZ3 LYS 28 2HZ LYS 28 -3.053 -2.006 12.091 236 H TYR 29 H TYR 29 1.766 -2.863 5.610 237 HA TYR 29 HA TYR 29 3.804 -0.847 5.998 238 HB2 TYR 29 2HB TYR 29 3.691 -3.549 4.849 239 HB3 TYR 29 1HB TYR 29 4.760 -2.435 3.998 240 HD1 TYR 29 1HD TYR 29 5.704 -0.684 6.045 241 HD2 TYR 29 2HD TYR 29 5.224 -4.905 6.170 242 HE1 TYR 29 1HE TYR 29 7.425 -0.793 7.748 243 HE2 TYR 29 2HE TYR 29 6.973 -5.048 7.893 244 HH TYR 29 HH TYR 29 8.132 -2.337 9.562 245 H PHE 30 H PHE 30 1.631 -1.915 3.597 246 HA PHE 30 HA PHE 30 2.659 -0.525 1.396 247 HB2 PHE 30 2HB PHE 30 -0.084 -1.608 2.093 248 HB3 PHE 30 1HB PHE 30 0.284 -0.915 0.513 249 HD1 PHE 30 2HD PHE 30 3.262 -2.293 0.923 250 HD2 PHE 30 1HD PHE 30 -0.728 -3.600 0.827 251 HE1 PHE 30 2HE PHE 30 4.018 -4.435 0.028 252 HE2 PHE 30 1HE PHE 30 -0.015 -5.781 -0.055 253 HZ PHE 30 HZ PHE 30 2.380 -6.187 -0.454 254 H LYS 31 H LYS 31 0.304 0.158 3.904 255 HA LYS 31 HA LYS 31 -0.297 2.789 2.926 256 HB2 LYS 31 2HB LYS 31 -1.656 3.045 4.875 257 HB3 LYS 31 1HB LYS 31 -1.905 1.408 4.286 258 HG2 LYS 31 2HG LYS 31 -0.257 0.631 6.007 259 HG3 LYS 31 1HG LYS 31 -0.243 2.276 6.646 260 HD2 LYS 31 2HD LYS 31 -2.785 0.705 6.315 261 HD3 LYS 31 1HD LYS 31 -1.800 0.606 7.776 262 HE2 LYS 31 2HE LYS 31 -2.021 3.016 8.095 263 HE3 LYS 31 1HE LYS 31 -2.985 3.129 6.623 264 HZ1 LYS 31 3HZ LYS 31 -4.377 1.310 7.938 265 HZ2 LYS 31 1HZ LYS 31 -4.657 2.971 8.110 266 HZ3 LYS 31 2HZ LYS 31 -3.731 2.145 9.260 267 H LEU 32 H LEU 32 2.134 1.271 4.851 268 HA LEU 32 HA LEU 32 2.912 3.473 6.454 269 HB2 LEU 32 2HB LEU 32 3.960 0.882 5.844 270 HB3 LEU 32 1HB LEU 32 5.260 2.063 5.781 271 HG LEU 32 HG LEU 32 4.819 2.760 8.039 272 HD11 LEU 32 1HD1 LEU 32 2.255 1.987 7.649 273 HD12 LEU 32 2HD1 LEU 32 2.966 2.348 9.222 274 HD13 LEU 32 3HD1 LEU 32 2.859 0.679 8.664 275 HD21 LEU 32 3HD2 LEU 32 4.760 -0.235 8.112 276 HD22 LEU 32 1HD2 LEU 32 5.621 0.878 9.165 277 HD23 LEU 32 2HD2 LEU 32 6.150 0.651 7.498 278 H ILE 33 H ILE 33 4.289 2.358 3.343 279 HA ILE 33 HA ILE 33 5.731 4.832 3.037 280 HB ILE 33 HB ILE 33 6.732 2.783 2.187 281 HG12 ILE 33 2HG1 ILE 33 7.561 3.642 0.169 282 HG13 ILE 33 1HG1 ILE 33 6.015 4.355 -0.272 283 HG21 ILE 33 1HG2 ILE 33 5.760 1.708 0.148 284 HG22 ILE 33 2HG2 ILE 33 4.304 2.667 0.412 285 HG23 ILE 33 3HG2 ILE 33 4.815 1.490 1.622 286 HD11 ILE 33 3HD1 ILE 33 7.282 5.435 2.157 287 HD12 ILE 33 1HD1 ILE 33 6.431 6.269 0.854 288 HD13 ILE 33 2HD1 ILE 33 8.107 5.764 0.636 289 H ALA 34 H ALA 34 2.783 3.371 1.738 290 HA ALA 34 HA ALA 34 2.307 5.187 -0.338 291 HB1 ALA 34 1HB ALA 34 -0.122 4.572 0.038 292 HB2 ALA 34 2HB ALA 34 0.442 3.575 1.376 293 HB3 ALA 34 3HB ALA 34 0.981 3.229 -0.265 294 H ASN 35 H ASN 35 1.621 5.345 3.117 295 HA ASN 35 HA ASN 35 0.152 7.798 2.968 296 HB2 ASN 35 2HB ASN 35 1.429 6.292 5.253 297 HB3 ASN 35 1HB ASN 35 0.626 7.842 5.482 298 HD21 ASN 35 1HD2 ASN 35 -0.232 5.610 6.799 299 HD22 ASN 35 2HD2 ASN 35 -1.775 5.129 6.189 300 H ALA 36 H ALA 36 3.489 6.857 3.401 301 HA ALA 36 HA ALA 36 4.424 9.477 4.099 302 HB1 ALA 36 1HB ALA 36 6.329 7.537 2.951 303 HB2 ALA 36 2HB ALA 36 5.477 7.018 4.405 304 HB3 ALA 36 3HB ALA 36 6.431 8.498 4.422 305 H LYS 37 H LYS 37 3.876 7.684 1.168 306 HA LYS 37 HA LYS 37 5.404 9.495 -0.482 307 HB2 LYS 37 2HB LYS 37 3.546 7.216 -1.186 308 HB3 LYS 37 1HB LYS 37 4.340 8.221 -2.387 309 HG2 LYS 37 2HG LYS 37 6.409 7.435 -0.742 310 HG3 LYS 37 1HG LYS 37 5.379 6.007 -0.844 311 HD2 LYS 37 2HD LYS 37 6.515 5.610 -2.745 312 HD3 LYS 37 1HD LYS 37 5.415 6.804 -3.436 313 HE2 LYS 37 2HE LYS 37 7.071 8.256 -3.786 314 HE3 LYS 37 1HE LYS 37 7.688 8.055 -2.147 315 HZ1 LYS 37 3HZ LYS 37 9.385 7.351 -3.596 316 HZ2 LYS 37 1HZ LYS 37 8.327 6.427 -4.538 317 HZ3 LYS 37 2HZ LYS 37 8.714 5.931 -2.968 318 H THR 38 H THR 38 1.959 8.629 -0.221 319 HA THR 38 HA THR 38 1.274 11.274 -1.325 320 HB THR 38 HB THR 38 -0.741 10.335 -2.193 321 HG1 THR 38 1HG THR 38 -1.322 8.983 -0.504 322 HG21 THR 38 3HG2 THR 38 0.071 8.248 -3.428 323 HG22 THR 38 1HG2 THR 38 1.626 8.568 -2.659 324 HG23 THR 38 2HG2 THR 38 0.906 9.772 -3.727 325 H VAL 39 H VAL 39 -1.430 11.299 -0.605 326 HA VAL 39 HA VAL 39 -1.510 11.006 2.295 327 HB VAL 39 HB VAL 39 -2.473 13.380 2.445 328 HG11 VAL 39 1HG1 VAL 39 -0.105 14.352 2.515 329 HG12 VAL 39 2HG1 VAL 39 0.429 12.736 2.053 330 HG13 VAL 39 3HG1 VAL 39 -0.459 12.974 3.557 331 HG21 VAL 39 3HG2 VAL 39 -2.213 13.375 -0.253 332 HG22 VAL 39 1HG2 VAL 39 -0.725 14.191 0.227 333 HG23 VAL 39 2HG2 VAL 39 -2.287 14.833 0.737 334 H GLU 40 H GLU 40 -2.965 10.085 -0.300 335 HA GLU 40 HA GLU 40 -5.404 9.491 0.737 336 HB2 GLU 40 2HB GLU 40 -5.298 12.271 -0.010 337 HB3 GLU 40 1HB GLU 40 -6.490 11.428 -0.995 338 HG2 GLU 40 2HG GLU 40 -7.354 10.483 1.228 339 HG3 GLU 40 1HG GLU 40 -6.406 11.765 1.979 340 H GLY 41 H GLY 41 -6.820 8.526 -0.729 341 HA2 GLY 41 2HA GLY 41 -6.951 8.482 -3.430 342 HA3 GLY 41 1HA GLY 41 -5.494 7.539 -3.115 343 H VAL 42 H VAL 42 -7.663 6.418 -4.420 344 HA VAL 42 HA VAL 42 -9.288 4.949 -2.551 345 HB VAL 42 HB VAL 42 -10.110 3.725 -4.531 346 HG11 VAL 42 1HG1 VAL 42 -10.747 6.195 -3.782 347 HG12 VAL 42 2HG1 VAL 42 -11.483 5.415 -5.182 348 HG13 VAL 42 3HG1 VAL 42 -10.158 6.557 -5.405 349 HG21 VAL 42 3HG2 VAL 42 -8.684 3.503 -6.236 350 HG22 VAL 42 1HG2 VAL 42 -7.721 4.887 -5.722 351 HG23 VAL 42 2HG2 VAL 42 -9.167 5.134 -6.701 352 H TRP 43 H TRP 43 -8.538 3.301 -1.415 353 HA TRP 43 HA TRP 43 -6.188 1.859 -2.279 354 HB2 TRP 43 2HB TRP 43 -7.626 2.422 0.209 355 HB3 TRP 43 1HB TRP 43 -6.947 0.813 0.121 356 HD1 TRP 43 HD TRP 43 -5.938 4.511 0.170 357 HE1 TRP 43 1HE TRP 43 -3.456 4.700 0.788 358 HE3 TRP 43 3HE TRP 43 -4.656 -0.472 0.112 359 HZ2 TRP 43 2HZ TRP 43 -1.272 2.987 1.210 360 HZ3 TRP 43 3HZ TRP 43 -2.330 -1.054 0.640 361 HH2 TRP 43 HH TRP 43 -0.690 0.628 1.168 362 H THR 44 H THR 44 -6.165 -0.189 -3.001 363 HA THR 44 HA THR 44 -8.467 -1.925 -2.590 364 HB THR 44 HB THR 44 -8.417 -2.520 -5.070 365 HG1 THR 44 1HG THR 44 -6.989 -1.513 -6.203 366 HG21 THR 44 3HG2 THR 44 -9.322 0.221 -5.190 367 HG22 THR 44 1HG2 THR 44 -9.901 -0.611 -3.746 368 HG23 THR 44 2HG2 THR 44 -10.231 -1.282 -5.343 369 H TYR 45 H TYR 45 -8.022 -4.162 -3.015 370 HA TYR 45 HA TYR 45 -5.209 -4.838 -3.473 371 HB2 TYR 45 2HB TYR 45 -5.140 -4.919 -1.146 372 HB3 TYR 45 1HB TYR 45 -6.798 -5.502 -1.008 373 HD1 TYR 45 2HD TYR 45 -3.361 -6.510 -1.985 374 HD2 TYR 45 1HD TYR 45 -7.248 -7.805 -0.841 375 HE1 TYR 45 2HE TYR 45 -2.519 -8.809 -1.747 376 HE2 TYR 45 1HE TYR 45 -6.418 -10.107 -0.599 377 HH TYR 45 HH TYR 45 -4.256 -11.415 -1.762 378 H LYS 46 H LYS 46 -4.853 -6.786 -4.465 379 HA LYS 46 HA LYS 46 -7.267 -8.195 -5.387 380 HB2 LYS 46 2HB LYS 46 -4.542 -8.204 -6.693 381 HB3 LYS 46 1HB LYS 46 -6.051 -8.822 -7.364 382 HG2 LYS 46 2HG LYS 46 -6.805 -6.758 -7.938 383 HG3 LYS 46 1HG LYS 46 -5.963 -5.957 -6.610 384 HD2 LYS 46 2HD LYS 46 -3.982 -5.813 -7.773 385 HD3 LYS 46 1HD LYS 46 -4.359 -7.203 -8.794 386 HE2 LYS 46 2HE LYS 46 -4.787 -5.648 -10.358 387 HE3 LYS 46 1HE LYS 46 -6.327 -5.487 -9.515 388 HZ1 LYS 46 3HZ LYS 46 -5.444 -3.326 -9.782 389 HZ2 LYS 46 1HZ LYS 46 -3.918 -3.786 -9.211 390 HZ3 LYS 46 2HZ LYS 46 -5.234 -3.720 -8.151 391 H ASP 47 H ASP 47 -7.478 -10.346 -5.062 392 HA ASP 47 HA ASP 47 -5.512 -11.616 -3.323 393 HB2 ASP 47 2HB ASP 47 -7.894 -11.718 -2.698 394 HB3 ASP 47 1HB ASP 47 -8.249 -12.570 -4.201 395 H GLU 48 H GLU 48 -6.740 -11.798 -6.567 396 HA GLU 48 HA GLU 48 -6.079 -14.331 -7.362 397 HB2 GLU 48 2HB GLU 48 -7.200 -12.707 -8.808 398 HB3 GLU 48 1HB GLU 48 -5.707 -11.789 -8.943 399 HG2 GLU 48 2HG GLU 48 -4.959 -13.075 -10.579 400 HG3 GLU 48 1HG GLU 48 -5.321 -14.549 -9.681 401 H ILE 49 H ILE 49 -3.930 -11.688 -6.635 402 HA ILE 49 HA ILE 49 -1.663 -13.494 -6.908 403 HB ILE 49 HB ILE 49 -0.303 -11.830 -8.092 404 HG12 ILE 49 2HG1 ILE 49 -1.671 -9.854 -7.366 405 HG13 ILE 49 1HG1 ILE 49 -1.259 -9.862 -9.077 406 HG21 ILE 49 1HG2 ILE 49 -1.409 -12.064 -10.314 407 HG22 ILE 49 2HG2 ILE 49 -2.824 -12.711 -9.483 408 HG23 ILE 49 3HG2 ILE 49 -1.286 -13.566 -9.403 409 HD11 ILE 49 3HD1 ILE 49 -3.835 -9.790 -7.813 410 HD12 ILE 49 1HD1 ILE 49 -3.717 -11.165 -8.912 411 HD13 ILE 49 2HD1 ILE 49 -3.403 -9.533 -9.503 412 H LYS 50 H LYS 50 -3.239 -11.882 -4.796 413 HA LYS 50 HA LYS 50 -2.824 -10.640 -2.922 414 HB2 LYS 50 2HB LYS 50 -0.124 -11.979 -3.070 415 HB3 LYS 50 1HB LYS 50 -0.930 -11.379 -1.628 416 HG2 LYS 50 2HG LYS 50 -1.507 -13.531 -1.375 417 HG3 LYS 50 1HG LYS 50 -2.787 -13.113 -2.516 418 HD2 LYS 50 2HD LYS 50 -0.876 -13.716 -4.265 419 HD3 LYS 50 1HD LYS 50 -0.327 -14.715 -2.916 420 HE2 LYS 50 2HE LYS 50 -2.926 -15.348 -2.889 421 HE3 LYS 50 1HE LYS 50 -2.753 -14.948 -4.598 422 HZ1 LYS 50 3HZ LYS 50 -1.242 -16.655 -4.918 423 HZ2 LYS 50 1HZ LYS 50 -2.340 -17.353 -3.837 424 HZ3 LYS 50 2HZ LYS 50 -0.850 -16.777 -3.278 425 H THR 51 H THR 51 -2.810 -8.696 -4.366 426 HA THR 51 HA THR 51 -0.310 -7.246 -3.951 427 HB THR 51 HB THR 51 -1.735 -7.386 -6.614 428 HG1 THR 51 1HG THR 51 -0.339 -9.167 -6.065 429 HG21 THR 51 3HG2 THR 51 0.904 -6.109 -6.427 430 HG22 THR 51 1HG2 THR 51 -0.446 -5.194 -5.754 431 HG23 THR 51 2HG2 THR 51 -0.486 -5.717 -7.438 432 H PHE 52 H PHE 52 -0.595 -5.216 -3.290 433 HA PHE 52 HA PHE 52 -3.338 -4.207 -3.134 434 HB2 PHE 52 2HB PHE 52 -0.975 -4.034 -1.460 435 HB3 PHE 52 1HB PHE 52 -1.701 -2.459 -1.709 436 HD1 PHE 52 1HD PHE 52 -2.113 -5.778 -0.252 437 HD2 PHE 52 2HD PHE 52 -3.910 -1.970 -0.862 438 HE1 PHE 52 1HE PHE 52 -3.791 -6.298 1.473 439 HE2 PHE 52 2HE PHE 52 -5.591 -2.480 0.862 440 HZ PHE 52 HZ PHE 52 -5.533 -4.647 2.032 441 H THR 53 H THR 53 -3.927 -2.228 -3.924 442 HA THR 53 HA THR 53 -1.947 -0.647 -5.378 443 HB THR 53 HB THR 53 -4.484 -1.658 -6.670 444 HG1 THR 53 1HG THR 53 -3.237 -3.316 -7.011 445 HG21 THR 53 3HG2 THR 53 -2.615 0.451 -7.405 446 HG22 THR 53 1HG2 THR 53 -4.242 0.113 -7.995 447 HG23 THR 53 2HG2 THR 53 -2.862 -0.756 -8.667 448 H VAL 54 H VAL 54 -2.386 1.505 -5.537 449 HA VAL 54 HA VAL 54 -4.946 2.419 -4.397 450 HB VAL 54 HB VAL 54 -2.485 2.799 -3.171 451 HG11 VAL 54 1HG1 VAL 54 -1.843 4.479 -4.877 452 HG12 VAL 54 2HG1 VAL 54 -2.026 5.206 -3.275 453 HG13 VAL 54 3HG1 VAL 54 -3.292 5.409 -4.487 454 HG21 VAL 54 3HG2 VAL 54 -5.066 4.352 -2.926 455 HG22 VAL 54 1HG2 VAL 54 -3.758 4.413 -1.744 456 HG23 VAL 54 2HG2 VAL 54 -4.609 2.896 -2.043 457 H THR 55 H THR 55 -5.884 4.256 -5.299 458 HA THR 55 HA THR 55 -4.585 5.303 -7.720 459 HB THR 55 HB THR 55 -7.481 5.289 -7.929 460 HG1 THR 55 1HG THR 55 -6.217 2.756 -7.842 461 HG21 THR 55 3HG2 THR 55 -5.307 4.085 -9.621 462 HG22 THR 55 1HG2 THR 55 -6.108 5.638 -9.864 463 HG23 THR 55 2HG2 THR 55 -7.015 4.137 -10.055 464 H GLU 56 H GLU 56 -4.936 7.458 -8.202 465 HA GLU 56 HA GLU 56 -6.640 9.022 -6.421 466 HB2 GLU 56 2HB GLU 56 -4.437 8.993 -5.330 467 HB3 GLU 56 1HB GLU 56 -3.695 9.597 -6.805 468 HG2 GLU 56 2HG GLU 56 -4.431 11.713 -6.478 469 HG3 GLU 56 1HG GLU 56 -5.905 11.195 -5.663 Start of MODEL 6 1 H1 THR 1 1HT THR 1 3.348 -14.417 2.996 2 H2 THR 1 2HT THR 1 4.356 -15.614 2.282 3 H3 THR 1 3HT THR 1 2.762 -16.012 2.781 4 HA THR 1 HA THR 1 3.115 -15.687 0.362 5 HB THR 1 HB THR 1 0.995 -14.239 0.261 6 HG1 THR 1 1HG THR 1 1.218 -14.521 3.072 7 HG21 THR 1 3HG2 THR 1 -0.064 -16.162 0.357 8 HG22 THR 1 1HG2 THR 1 0.082 -16.176 2.114 9 HG23 THR 1 2HG2 THR 1 1.349 -16.893 1.117 10 H THR 2 H THR 2 3.903 -14.421 -1.205 11 HA THR 2 HA THR 2 5.155 -11.924 -0.489 12 HB THR 2 HB THR 2 4.965 -12.860 -3.319 13 HG1 THR 2 1HG THR 2 6.436 -14.139 -1.268 14 HG21 THR 2 3HG2 THR 2 7.346 -11.922 -1.747 15 HG22 THR 2 1HG2 THR 2 6.296 -10.858 -2.670 16 HG23 THR 2 2HG2 THR 2 7.211 -12.118 -3.495 17 H TYR 3 H TYR 3 4.157 -10.042 -0.519 18 HA TYR 3 HA TYR 3 1.746 -9.726 -2.162 19 HB2 TYR 3 2HB TYR 3 2.759 -8.359 0.314 20 HB3 TYR 3 1HB TYR 3 1.547 -7.586 -0.705 21 HD1 TYR 3 2HD TYR 3 1.680 -11.232 -0.163 22 HD2 TYR 3 1HD TYR 3 -0.172 -7.564 0.933 23 HE1 TYR 3 2HE TYR 3 -0.106 -12.477 0.978 24 HE2 TYR 3 1HE TYR 3 -1.961 -8.804 2.079 25 HH TYR 3 HH TYR 3 -2.952 -11.353 1.729 26 H LYS 4 H LYS 4 1.438 -7.843 -3.435 27 HA LYS 4 HA LYS 4 3.900 -6.359 -4.075 28 HB2 LYS 4 2HB LYS 4 2.070 -7.860 -5.873 29 HB3 LYS 4 1HB LYS 4 2.700 -6.326 -6.467 30 HG2 LYS 4 2HG LYS 4 4.845 -7.094 -6.590 31 HG3 LYS 4 1HG LYS 4 4.615 -8.275 -5.299 32 HD2 LYS 4 2HD LYS 4 3.270 -8.531 -7.978 33 HD3 LYS 4 1HD LYS 4 4.877 -9.188 -7.661 34 HE2 LYS 4 2HE LYS 4 4.063 -10.691 -6.061 35 HE3 LYS 4 1HE LYS 4 2.534 -9.839 -5.902 36 HZ1 LYS 4 3HZ LYS 4 3.154 -10.883 -8.541 37 HZ2 LYS 4 1HZ LYS 4 1.677 -10.830 -7.715 38 HZ3 LYS 4 2HZ LYS 4 2.812 -12.030 -7.347 39 H LEU 5 H LEU 5 3.698 -4.193 -4.273 40 HA LEU 5 HA LEU 5 0.971 -3.069 -4.167 41 HB2 LEU 5 2HB LEU 5 2.409 -2.743 -2.058 42 HB3 LEU 5 1HB LEU 5 3.437 -1.736 -3.086 43 HG LEU 5 HG LEU 5 1.744 -0.118 -3.415 44 HD11 LEU 5 1HD1 LEU 5 -0.039 -2.285 -2.774 45 HD12 LEU 5 2HD1 LEU 5 -0.357 -0.774 -3.621 46 HD13 LEU 5 3HD1 LEU 5 -0.439 -0.833 -1.861 47 HD21 LEU 5 3HD2 LEU 5 2.484 0.639 -1.453 48 HD22 LEU 5 1HD2 LEU 5 2.424 -0.957 -0.707 49 HD23 LEU 5 2HD2 LEU 5 0.964 0.030 -0.799 50 H ILE 6 H ILE 6 0.495 -1.310 -5.346 51 HA ILE 6 HA ILE 6 2.606 -0.121 -6.959 52 HB ILE 6 HB ILE 6 -0.061 -0.904 -8.158 53 HG12 ILE 6 2HG1 ILE 6 1.261 -2.913 -7.688 54 HG13 ILE 6 1HG1 ILE 6 1.178 -2.614 -9.422 55 HG21 ILE 6 1HG2 ILE 6 1.170 -0.377 -10.295 56 HG22 ILE 6 2HG2 ILE 6 2.435 0.332 -9.291 57 HG23 ILE 6 3HG2 ILE 6 0.804 1.003 -9.260 58 HD11 ILE 6 3HD1 ILE 6 3.380 -2.616 -9.548 59 HD12 ILE 6 1HD1 ILE 6 3.459 -2.992 -7.827 60 HD13 ILE 6 2HD1 ILE 6 3.481 -1.313 -8.364 61 H LEU 7 H LEU 7 2.557 1.984 -6.488 62 HA LEU 7 HA LEU 7 0.034 3.148 -5.578 63 HB2 LEU 7 2HB LEU 7 2.781 4.369 -5.403 64 HB3 LEU 7 1HB LEU 7 1.326 4.887 -4.560 65 HG LEU 7 HG LEU 7 1.378 2.578 -3.434 66 HD11 LEU 7 1HD1 LEU 7 2.909 1.189 -4.284 67 HD12 LEU 7 2HD1 LEU 7 4.072 2.111 -3.331 68 HD13 LEU 7 3HD1 LEU 7 3.818 2.500 -5.032 69 HD21 LEU 7 3HD2 LEU 7 2.902 3.374 -1.716 70 HD22 LEU 7 1HD2 LEU 7 1.889 4.693 -2.302 71 HD23 LEU 7 2HD2 LEU 7 3.566 4.565 -2.833 72 H ASN 8 H ASN 8 -1.026 4.673 -6.633 73 HA ASN 8 HA ASN 8 0.303 6.037 -8.874 74 HB2 ASN 8 2HB ASN 8 -1.917 4.159 -9.030 75 HB3 ASN 8 1HB ASN 8 -2.331 5.727 -9.723 76 HD21 ASN 8 1HD2 ASN 8 -2.077 5.692 -11.825 77 HD22 ASN 8 2HD2 ASN 8 -0.778 4.947 -12.687 78 H LEU 9 H LEU 9 0.350 8.081 -8.192 79 HA LEU 9 HA LEU 9 -2.084 9.206 -6.965 80 HB2 LEU 9 2HB LEU 9 -0.762 10.725 -5.762 81 HB3 LEU 9 1HB LEU 9 0.161 9.227 -5.676 82 HG LEU 9 HG LEU 9 0.744 11.466 -7.623 83 HD11 LEU 9 1HD1 LEU 9 2.678 11.928 -6.161 84 HD12 LEU 9 2HD1 LEU 9 2.024 10.793 -4.980 85 HD13 LEU 9 3HD1 LEU 9 1.132 12.261 -5.382 86 HD21 LEU 9 3HD2 LEU 9 1.648 9.554 -8.561 87 HD22 LEU 9 1HD2 LEU 9 2.016 8.834 -6.995 88 HD23 LEU 9 2HD2 LEU 9 2.988 10.176 -7.599 89 H LYS 10 H LYS 10 -1.528 8.856 -9.853 90 HA LYS 10 HA LYS 10 -1.939 9.988 -11.773 91 HB2 LYS 10 2HB LYS 10 -3.330 11.407 -9.779 92 HB3 LYS 10 1HB LYS 10 -2.538 12.620 -10.774 93 HG2 LYS 10 2HG LYS 10 -4.446 12.416 -11.962 94 HG3 LYS 10 1HG LYS 10 -3.545 11.101 -12.713 95 HD2 LYS 10 2HD LYS 10 -4.860 9.509 -11.817 96 HD3 LYS 10 1HD LYS 10 -5.012 10.364 -10.279 97 HE2 LYS 10 2HE LYS 10 -6.443 11.164 -12.808 98 HE3 LYS 10 1HE LYS 10 -7.146 10.133 -11.562 99 HZ1 LYS 10 3HZ LYS 10 -6.832 11.949 -9.971 100 HZ2 LYS 10 1HZ LYS 10 -7.837 12.407 -11.253 101 HZ3 LYS 10 2HZ LYS 10 -6.231 12.936 -11.205 102 H GLN 11 H GLN 11 0.697 9.941 -10.655 103 HA GLN 11 HA GLN 11 1.840 12.136 -12.167 104 HB2 GLN 11 2HB GLN 11 2.365 11.738 -9.227 105 HB3 GLN 11 1HB GLN 11 3.435 12.664 -10.273 106 HG2 GLN 11 2HG GLN 11 1.734 14.271 -10.716 107 HG3 GLN 11 1HG GLN 11 0.513 13.281 -9.904 108 HE21 GLN 11 1HE2 GLN 11 3.501 15.077 -9.368 109 HE22 GLN 11 2HE2 GLN 11 3.171 15.484 -7.720 110 H ALA 12 H ALA 12 3.216 9.984 -9.704 111 HA ALA 12 HA ALA 12 4.823 8.720 -11.830 112 HB1 ALA 12 1HB ALA 12 6.706 8.899 -10.603 113 HB2 ALA 12 2HB ALA 12 5.865 8.623 -9.078 114 HB3 ALA 12 3HB ALA 12 5.833 10.220 -9.828 115 H LYS 13 H LYS 13 5.763 6.537 -10.935 116 HA LYS 13 HA LYS 13 3.543 5.068 -9.675 117 HB2 LYS 13 2HB LYS 13 4.327 3.085 -11.042 118 HB3 LYS 13 1HB LYS 13 3.676 4.406 -12.009 119 HG2 LYS 13 2HG LYS 13 5.653 4.839 -12.988 120 HG3 LYS 13 1HG LYS 13 6.584 4.467 -11.536 121 HD2 LYS 13 2HD LYS 13 6.830 2.292 -12.099 122 HD3 LYS 13 1HD LYS 13 5.210 2.182 -12.792 123 HE2 LYS 13 2HE LYS 13 5.910 2.840 -14.866 124 HE3 LYS 13 1HE LYS 13 7.217 3.830 -14.223 125 HZ1 LYS 13 3HZ LYS 13 8.058 1.411 -13.529 126 HZ2 LYS 13 1HZ LYS 13 8.459 2.139 -14.996 127 HZ3 LYS 13 2HZ LYS 13 7.201 1.015 -14.933 128 H GLU 14 H GLU 14 4.008 3.982 -7.880 129 HA GLU 14 HA GLU 14 6.847 3.520 -7.230 130 HB2 GLU 14 2HB GLU 14 4.682 4.750 -5.699 131 HB3 GLU 14 1HB GLU 14 5.497 3.463 -4.809 132 HG2 GLU 14 2HG GLU 14 6.771 5.902 -6.030 133 HG3 GLU 14 1HG GLU 14 6.525 5.578 -4.315 134 H GLU 15 H GLU 15 7.312 1.634 -5.915 135 HA GLU 15 HA GLU 15 5.285 -0.488 -6.177 136 HB2 GLU 15 2HB GLU 15 8.237 -1.001 -6.444 137 HB3 GLU 15 1HB GLU 15 6.902 -2.049 -6.899 138 HG2 GLU 15 2HG GLU 15 6.317 -0.549 -8.718 139 HG3 GLU 15 1HG GLU 15 7.617 0.546 -8.247 140 H ALA 16 H ALA 16 5.637 -2.339 -4.708 141 HA ALA 16 HA ALA 16 7.353 -2.104 -2.457 142 HB1 ALA 16 1HB ALA 16 5.986 -1.256 -0.827 143 HB2 ALA 16 2HB ALA 16 4.551 -2.032 -1.499 144 HB3 ALA 16 3HB ALA 16 5.140 -0.521 -2.193 145 H ILE 17 H ILE 17 7.462 -4.011 -1.346 146 HA ILE 17 HA ILE 17 5.503 -6.103 -1.925 147 HB ILE 17 HB ILE 17 7.515 -7.705 -2.121 148 HG12 ILE 17 2HG1 ILE 17 8.779 -5.108 -3.025 149 HG13 ILE 17 1HG1 ILE 17 9.257 -6.055 -1.620 150 HG21 ILE 17 1HG2 ILE 17 5.784 -6.950 -3.882 151 HG22 ILE 17 2HG2 ILE 17 7.265 -7.734 -4.432 152 HG23 ILE 17 3HG2 ILE 17 7.105 -5.980 -4.535 153 HD11 ILE 17 3HD1 ILE 17 10.599 -7.301 -2.858 154 HD12 ILE 17 1HD1 ILE 17 10.251 -6.236 -4.220 155 HD13 ILE 17 2HD1 ILE 17 9.289 -7.693 -3.973 156 H LYS 18 H LYS 18 5.083 -7.387 -0.219 157 HA LYS 18 HA LYS 18 7.017 -7.485 1.965 158 HB2 LYS 18 2HB LYS 18 4.220 -7.200 2.868 159 HB3 LYS 18 1HB LYS 18 5.697 -6.520 3.544 160 HG2 LYS 18 2HG LYS 18 4.582 -5.461 1.002 161 HG3 LYS 18 1HG LYS 18 3.892 -4.964 2.537 162 HD2 LYS 18 2HD LYS 18 6.688 -4.531 1.516 163 HD3 LYS 18 1HD LYS 18 5.500 -3.321 1.988 164 HE2 LYS 18 2HE LYS 18 6.688 -3.271 3.897 165 HE3 LYS 18 1HE LYS 18 5.735 -4.701 4.292 166 HZ1 LYS 18 3HZ LYS 18 7.738 -5.819 2.968 167 HZ2 LYS 18 1HZ LYS 18 7.769 -5.568 4.640 168 HZ3 LYS 18 2HZ LYS 18 8.551 -4.481 3.607 169 H GLU 19 H GLU 19 7.205 -9.440 2.862 170 HA GLU 19 HA GLU 19 5.287 -11.495 2.028 171 HB2 GLU 19 2HB GLU 19 8.086 -11.429 1.980 172 HB3 GLU 19 1HB GLU 19 7.683 -12.511 3.307 173 HG2 GLU 19 2HG GLU 19 6.981 -14.130 1.937 174 HG3 GLU 19 1HG GLU 19 6.117 -12.998 0.895 175 H ALA 20 H ALA 20 3.751 -11.795 3.515 176 HA ALA 20 HA ALA 20 4.600 -12.183 6.302 177 HB1 ALA 20 1HB ALA 20 3.564 -9.898 5.859 178 HB2 ALA 20 2HB ALA 20 2.885 -10.851 7.179 179 HB3 ALA 20 3HB ALA 20 2.044 -10.763 5.632 180 H VAL 21 H VAL 21 2.802 -13.217 7.616 181 HA VAL 21 HA VAL 21 1.987 -15.610 6.278 182 HB VAL 21 HB VAL 21 2.695 -15.630 8.633 183 HG11 VAL 21 1HG1 VAL 21 1.646 -14.527 10.335 184 HG12 VAL 21 2HG1 VAL 21 0.094 -14.475 9.498 185 HG13 VAL 21 3HG1 VAL 21 1.388 -13.379 9.018 186 HG21 VAL 21 3HG2 VAL 21 1.369 -17.388 9.137 187 HG22 VAL 21 1HG2 VAL 21 0.761 -17.128 7.503 188 HG23 VAL 21 2HG2 VAL 21 -0.116 -16.478 8.881 189 H ASP 22 H ASP 22 0.441 -12.630 7.214 190 HA ASP 22 HA ASP 22 -2.092 -13.639 6.119 191 HB2 ASP 22 2HB ASP 22 -1.734 -12.776 8.660 192 HB3 ASP 22 1HB ASP 22 -2.152 -11.256 7.876 193 H ALA 23 H ALA 23 -3.186 -10.898 6.218 194 HA ALA 23 HA ALA 23 -1.716 -9.742 3.943 195 HB1 ALA 23 1HB ALA 23 -3.947 -10.838 3.423 196 HB2 ALA 23 2HB ALA 23 -3.734 -9.177 2.870 197 HB3 ALA 23 3HB ALA 23 -4.688 -9.510 4.315 198 H GLY 24 H GLY 24 -3.540 -9.134 6.876 199 HA2 GLY 24 2HA GLY 24 -3.813 -6.383 6.774 200 HA3 GLY 24 1HA GLY 24 -3.618 -7.303 8.254 201 H ILE 25 H ILE 25 -0.962 -8.282 7.425 202 HA ILE 25 HA ILE 25 0.596 -6.252 8.619 203 HB ILE 25 HB ILE 25 1.335 -8.799 7.189 204 HG12 ILE 25 2HG1 ILE 25 0.337 -9.107 9.373 205 HG13 ILE 25 1HG1 ILE 25 2.058 -9.456 9.483 206 HG21 ILE 25 1HG2 ILE 25 3.314 -7.781 6.769 207 HG22 ILE 25 2HG2 ILE 25 3.620 -8.196 8.456 208 HG23 ILE 25 3HG2 ILE 25 3.085 -6.570 8.030 209 HD11 ILE 25 3HD1 ILE 25 0.470 -7.416 10.817 210 HD12 ILE 25 1HD1 ILE 25 1.967 -6.802 10.115 211 HD13 ILE 25 2HD1 ILE 25 2.016 -8.134 11.270 212 H ALA 26 H ALA 26 0.296 -7.334 5.236 213 HA ALA 26 HA ALA 26 2.265 -5.577 4.253 214 HB1 ALA 26 1HB ALA 26 1.298 -7.613 3.074 215 HB2 ALA 26 2HB ALA 26 1.629 -6.178 2.097 216 HB3 ALA 26 3HB ALA 26 -0.026 -6.549 2.591 217 H GLU 27 H GLU 27 -1.291 -5.248 4.424 218 HA GLU 27 HA GLU 27 -1.468 -2.817 3.080 219 HB2 GLU 27 2HB GLU 27 -3.523 -2.352 4.379 220 HB3 GLU 27 1HB GLU 27 -3.510 -3.965 3.682 221 HG2 GLU 27 2HG GLU 27 -2.680 -4.774 5.905 222 HG3 GLU 27 1HG GLU 27 -3.046 -3.172 6.535 223 H LYS 28 H LYS 28 -0.395 -3.539 6.319 224 HA LYS 28 HA LYS 28 -0.449 -0.907 7.351 225 HB2 LYS 28 2HB LYS 28 1.228 -3.312 8.064 226 HB3 LYS 28 1HB LYS 28 1.327 -1.790 8.935 227 HG2 LYS 28 2HG LYS 28 -1.284 -2.133 9.108 228 HG3 LYS 28 1HG LYS 28 -0.822 -3.822 8.903 229 HD2 LYS 28 2HD LYS 28 0.510 -2.053 10.930 230 HD3 LYS 28 1HD LYS 28 -0.983 -2.924 11.293 231 HE2 LYS 28 2HE LYS 28 0.060 -4.915 11.412 232 HE3 LYS 28 1HE LYS 28 1.129 -4.550 10.059 233 HZ1 LYS 28 3HZ LYS 28 1.555 -3.161 12.609 234 HZ2 LYS 28 1HZ LYS 28 2.677 -3.597 11.420 235 HZ3 LYS 28 2HZ LYS 28 2.059 -4.770 12.470 236 H TYR 29 H TYR 29 2.056 -2.789 5.695 237 HA TYR 29 HA TYR 29 3.943 -0.609 5.741 238 HB2 TYR 29 2HB TYR 29 3.915 -3.382 4.660 239 HB3 TYR 29 1HB TYR 29 5.012 -2.217 3.908 240 HD1 TYR 29 1HD TYR 29 5.864 -0.494 5.931 241 HD2 TYR 29 2HD TYR 29 5.264 -4.693 6.195 242 HE1 TYR 29 1HE TYR 29 7.447 -0.573 7.762 243 HE2 TYR 29 2HE TYR 29 6.882 -4.803 8.051 244 HH TYR 29 HH TYR 29 7.874 -3.387 9.717 245 H PHE 30 H PHE 30 1.732 -2.013 3.535 246 HA PHE 30 HA PHE 30 2.546 -0.663 1.218 247 HB2 PHE 30 2HB PHE 30 -0.002 -2.014 2.119 248 HB3 PHE 30 1HB PHE 30 0.115 -1.262 0.525 249 HD1 PHE 30 2HD PHE 30 3.280 -2.265 0.701 250 HD2 PHE 30 1HD PHE 30 -0.527 -4.033 0.799 251 HE1 PHE 30 2HE PHE 30 4.225 -4.284 -0.322 252 HE2 PHE 30 1HE PHE 30 0.371 -6.088 -0.211 253 HZ PHE 30 HZ PHE 30 2.769 -6.208 -0.772 254 H LYS 31 H LYS 31 0.472 0.019 3.917 255 HA LYS 31 HA LYS 31 -0.344 2.583 2.820 256 HB2 LYS 31 2HB LYS 31 -1.886 2.744 4.574 257 HB3 LYS 31 1HB LYS 31 -1.891 1.031 4.184 258 HG2 LYS 31 2HG LYS 31 -0.360 0.634 6.099 259 HG3 LYS 31 1HG LYS 31 -0.456 2.352 6.490 260 HD2 LYS 31 2HD LYS 31 -1.996 1.188 7.900 261 HD3 LYS 31 1HD LYS 31 -2.929 2.092 6.707 262 HE2 LYS 31 2HE LYS 31 -3.088 0.003 5.355 263 HE3 LYS 31 1HE LYS 31 -2.311 -0.858 6.682 264 HZ1 LYS 31 3HZ LYS 31 -4.984 0.383 6.601 265 HZ2 LYS 31 1HZ LYS 31 -4.209 0.111 8.080 266 HZ3 LYS 31 2HZ LYS 31 -4.556 -1.188 7.056 267 H LEU 32 H LEU 32 2.052 1.137 4.845 268 HA LEU 32 HA LEU 32 2.683 3.398 6.442 269 HB2 LEU 32 2HB LEU 32 3.512 1.158 6.994 270 HB3 LEU 32 1HB LEU 32 4.542 1.180 5.572 271 HG LEU 32 HG LEU 32 5.861 2.984 6.485 272 HD11 LEU 32 1HD1 LEU 32 4.697 4.442 7.734 273 HD12 LEU 32 2HD1 LEU 32 5.163 3.389 9.070 274 HD13 LEU 32 3HD1 LEU 32 3.583 3.210 8.322 275 HD21 LEU 32 3HD2 LEU 32 6.957 1.253 7.356 276 HD22 LEU 32 1HD2 LEU 32 5.473 0.456 7.882 277 HD23 LEU 32 2HD2 LEU 32 6.211 1.711 8.889 278 H ILE 33 H ILE 33 3.954 2.274 3.316 279 HA ILE 33 HA ILE 33 5.548 4.676 3.048 280 HB ILE 33 HB ILE 33 6.465 2.550 2.237 281 HG12 ILE 33 2HG1 ILE 33 7.396 3.388 0.237 282 HG13 ILE 33 1HG1 ILE 33 5.930 4.270 -0.177 283 HG21 ILE 33 1HG2 ILE 33 4.446 1.426 1.565 284 HG22 ILE 33 2HG2 ILE 33 5.537 1.528 0.183 285 HG23 ILE 33 3HG2 ILE 33 4.157 2.621 0.300 286 HD11 ILE 33 3HD1 ILE 33 8.064 5.495 0.746 287 HD12 ILE 33 1HD1 ILE 33 7.371 5.030 2.301 288 HD13 ILE 33 2HD1 ILE 33 6.438 6.026 1.183 289 H ALA 34 H ALA 34 2.578 3.283 1.712 290 HA ALA 34 HA ALA 34 2.191 5.119 -0.376 291 HB1 ALA 34 1HB ALA 34 0.286 3.463 1.248 292 HB2 ALA 34 2HB ALA 34 0.834 3.198 -0.406 293 HB3 ALA 34 3HB ALA 34 -0.269 4.526 -0.043 294 H ASN 35 H ASN 35 1.609 5.298 3.060 295 HA ASN 35 HA ASN 35 0.132 7.782 2.877 296 HB2 ASN 35 2HB ASN 35 -0.396 6.155 4.654 297 HB3 ASN 35 1HB ASN 35 1.234 6.327 5.294 298 HD21 ASN 35 1HD2 ASN 35 -1.880 7.806 4.941 299 HD22 ASN 35 2HD2 ASN 35 -1.630 9.084 6.076 300 H ALA 36 H ALA 36 3.385 6.677 3.492 301 HA ALA 36 HA ALA 36 4.379 9.174 4.468 302 HB1 ALA 36 1HB ALA 36 5.361 6.812 4.798 303 HB2 ALA 36 2HB ALA 36 6.470 8.158 4.547 304 HB3 ALA 36 3HB ALA 36 6.099 7.064 3.216 305 H LYS 37 H LYS 37 4.895 7.425 1.398 306 HA LYS 37 HA LYS 37 6.244 9.453 0.058 307 HB2 LYS 37 2HB LYS 37 4.493 7.227 -0.985 308 HB3 LYS 37 1HB LYS 37 5.291 8.364 -2.059 309 HG2 LYS 37 2HG LYS 37 7.159 7.296 -0.145 310 HG3 LYS 37 1HG LYS 37 6.339 6.005 -1.024 311 HD2 LYS 37 2HD LYS 37 6.923 7.160 -3.148 312 HD3 LYS 37 1HD LYS 37 7.854 8.329 -2.209 313 HE2 LYS 37 2HE LYS 37 8.867 6.002 -1.270 314 HE3 LYS 37 1HE LYS 37 8.477 5.544 -2.928 315 HZ1 LYS 37 3HZ LYS 37 9.680 7.848 -3.375 316 HZ2 LYS 37 1HZ LYS 37 10.531 6.389 -3.271 317 HZ3 LYS 37 2HZ LYS 37 10.469 7.428 -1.939 318 H THR 38 H THR 38 2.771 8.671 -0.148 319 HA THR 38 HA THR 38 2.155 11.497 -0.471 320 HB THR 38 HB THR 38 0.774 9.759 -2.426 321 HG1 THR 38 1HG THR 38 2.474 9.223 -3.510 322 HG21 THR 38 3HG2 THR 38 2.089 12.182 -3.361 323 HG22 THR 38 1HG2 THR 38 0.943 12.454 -2.048 324 HG23 THR 38 2HG2 THR 38 0.415 11.656 -3.529 325 H VAL 39 H VAL 39 -0.574 10.960 -1.342 326 HA VAL 39 HA VAL 39 -1.792 9.133 0.469 327 HB VAL 39 HB VAL 39 -1.041 11.147 1.912 328 HG11 VAL 39 1HG1 VAL 39 -2.330 12.636 0.056 329 HG12 VAL 39 2HG1 VAL 39 -2.009 13.161 1.709 330 HG13 VAL 39 3HG1 VAL 39 -3.581 12.481 1.290 331 HG21 VAL 39 3HG2 VAL 39 -3.924 10.775 2.358 332 HG22 VAL 39 1HG2 VAL 39 -2.558 10.493 3.438 333 HG23 VAL 39 2HG2 VAL 39 -2.978 9.293 2.215 334 H GLU 40 H GLU 40 -4.343 9.854 0.620 335 HA GLU 40 HA GLU 40 -6.286 10.099 -0.523 336 HB2 GLU 40 2HB GLU 40 -4.853 11.871 -2.485 337 HB3 GLU 40 1HB GLU 40 -6.540 11.932 -1.978 338 HG2 GLU 40 2HG GLU 40 -5.346 12.379 0.380 339 HG3 GLU 40 1HG GLU 40 -4.129 13.052 -0.704 340 H GLY 41 H GLY 41 -7.239 8.685 -1.830 341 HA2 GLY 41 2HA GLY 41 -7.002 8.129 -4.436 342 HA3 GLY 41 1HA GLY 41 -5.595 7.280 -3.797 343 H VAL 42 H VAL 42 -7.755 6.044 -5.157 344 HA VAL 42 HA VAL 42 -9.470 4.804 -3.204 345 HB VAL 42 HB VAL 42 -10.056 3.270 -5.171 346 HG11 VAL 42 1HG1 VAL 42 -10.547 6.219 -5.069 347 HG12 VAL 42 2HG1 VAL 42 -11.633 4.891 -4.664 348 HG13 VAL 42 3HG1 VAL 42 -11.252 5.236 -6.352 349 HG21 VAL 42 3HG2 VAL 42 -9.379 3.861 -7.347 350 HG22 VAL 42 1HG2 VAL 42 -7.901 3.858 -6.386 351 HG23 VAL 42 2HG2 VAL 42 -8.677 5.385 -6.802 352 H TRP 43 H TRP 43 -8.517 3.513 -1.772 353 HA TRP 43 HA TRP 43 -6.249 1.890 -2.381 354 HB2 TRP 43 2HB TRP 43 -7.818 2.732 -0.066 355 HB3 TRP 43 1HB TRP 43 -7.209 1.098 0.065 356 HD1 TRP 43 HD TRP 43 -6.046 4.742 -0.174 357 HE1 TRP 43 1HE TRP 43 -3.612 4.903 0.620 358 HE3 TRP 43 3HE TRP 43 -4.977 -0.266 0.342 359 HZ2 TRP 43 2HZ TRP 43 -1.531 3.162 1.367 360 HZ3 TRP 43 3HZ TRP 43 -2.726 -0.877 1.105 361 HH2 TRP 43 HH TRP 43 -1.060 0.788 1.599 362 H THR 44 H THR 44 -6.253 -0.169 -3.072 363 HA THR 44 HA THR 44 -8.538 -1.892 -2.519 364 HB THR 44 HB THR 44 -8.387 -2.624 -5.020 365 HG1 THR 44 1HG THR 44 -7.663 -1.109 -6.401 366 HG21 THR 44 3HG2 THR 44 -10.400 -1.733 -5.122 367 HG22 THR 44 1HG2 THR 44 -9.700 -0.123 -5.287 368 HG23 THR 44 2HG2 THR 44 -10.044 -0.774 -3.684 369 H TYR 45 H TYR 45 -8.105 -4.149 -2.858 370 HA TYR 45 HA TYR 45 -5.295 -4.850 -3.297 371 HB2 TYR 45 2HB TYR 45 -5.211 -4.825 -0.972 372 HB3 TYR 45 1HB TYR 45 -6.874 -5.388 -0.797 373 HD1 TYR 45 2HD TYR 45 -3.532 -6.535 -2.004 374 HD2 TYR 45 1HD TYR 45 -7.255 -7.611 -0.253 375 HE1 TYR 45 2HE TYR 45 -2.703 -8.824 -1.662 376 HE2 TYR 45 1HE TYR 45 -6.436 -9.904 0.095 377 HH TYR 45 HH TYR 45 -4.703 -11.410 -0.906 378 H LYS 46 H LYS 46 -4.943 -6.845 -4.196 379 HA LYS 46 HA LYS 46 -7.353 -8.255 -5.114 380 HB2 LYS 46 2HB LYS 46 -4.572 -8.559 -6.244 381 HB3 LYS 46 1HB LYS 46 -6.104 -9.021 -6.985 382 HG2 LYS 46 2HG LYS 46 -6.646 -6.828 -7.522 383 HG3 LYS 46 1HG LYS 46 -5.513 -6.157 -6.348 384 HD2 LYS 46 2HD LYS 46 -3.929 -7.669 -8.063 385 HD3 LYS 46 1HD LYS 46 -5.096 -6.876 -9.123 386 HE2 LYS 46 2HE LYS 46 -4.520 -4.714 -8.036 387 HE3 LYS 46 1HE LYS 46 -3.263 -5.552 -7.128 388 HZ1 LYS 46 3HZ LYS 46 -2.001 -4.929 -8.859 389 HZ2 LYS 46 1HZ LYS 46 -3.313 -4.750 -9.914 390 HZ3 LYS 46 2HZ LYS 46 -2.665 -6.285 -9.620 391 H ASP 47 H ASP 47 -7.679 -10.369 -4.651 392 HA ASP 47 HA ASP 47 -5.838 -11.593 -2.739 393 HB2 ASP 47 2HB ASP 47 -8.239 -11.482 -2.165 394 HB3 ASP 47 1HB ASP 47 -8.613 -12.461 -3.583 395 H GLU 48 H GLU 48 -7.031 -11.970 -5.980 396 HA GLU 48 HA GLU 48 -6.495 -14.619 -6.516 397 HB2 GLU 48 2HB GLU 48 -7.566 -12.990 -8.074 398 HB3 GLU 48 1HB GLU 48 -5.973 -12.319 -8.400 399 HG2 GLU 48 2HG GLU 48 -5.515 -14.918 -8.908 400 HG3 GLU 48 1HG GLU 48 -7.217 -14.799 -9.352 401 H ILE 49 H ILE 49 -4.247 -11.926 -6.289 402 HA ILE 49 HA ILE 49 -2.040 -13.852 -6.342 403 HB ILE 49 HB ILE 49 -0.659 -12.368 -7.712 404 HG12 ILE 49 2HG1 ILE 49 -1.889 -10.264 -7.133 405 HG13 ILE 49 1HG1 ILE 49 -1.564 -10.449 -8.852 406 HG21 ILE 49 1HG2 ILE 49 -2.833 -12.604 -9.598 407 HG22 ILE 49 2HG2 ILE 49 -2.710 -14.031 -8.575 408 HG23 ILE 49 3HG2 ILE 49 -1.313 -13.496 -9.509 409 HD11 ILE 49 3HD1 ILE 49 -3.708 -10.011 -9.185 410 HD12 ILE 49 1HD1 ILE 49 -4.075 -10.166 -7.467 411 HD13 ILE 49 2HD1 ILE 49 -4.062 -11.596 -8.498 412 H LYS 50 H LYS 50 -3.548 -11.907 -4.414 413 HA LYS 50 HA LYS 50 -3.049 -10.553 -2.650 414 HB2 LYS 50 2HB LYS 50 -0.385 -11.971 -2.767 415 HB3 LYS 50 1HB LYS 50 -1.093 -11.181 -1.366 416 HG2 LYS 50 2HG LYS 50 -1.689 -13.288 -0.855 417 HG3 LYS 50 1HG LYS 50 -3.051 -12.916 -1.913 418 HD2 LYS 50 2HD LYS 50 -1.959 -13.980 -3.775 419 HD3 LYS 50 1HD LYS 50 -0.496 -14.228 -2.820 420 HE2 LYS 50 2HE LYS 50 -1.384 -16.276 -2.486 421 HE3 LYS 50 1HE LYS 50 -2.309 -15.439 -1.238 422 HZ1 LYS 50 3HZ LYS 50 -3.426 -16.909 -3.142 423 HZ2 LYS 50 1HZ LYS 50 -3.439 -15.402 -3.918 424 HZ3 LYS 50 2HZ LYS 50 -4.204 -15.587 -2.422 425 H THR 51 H THR 51 -3.077 -8.650 -4.022 426 HA THR 51 HA THR 51 -0.520 -7.269 -3.937 427 HB THR 51 HB THR 51 -2.129 -7.513 -6.485 428 HG1 THR 51 1HG THR 51 -0.540 -8.789 -7.195 429 HG21 THR 51 3HG2 THR 51 -0.896 -5.299 -6.006 430 HG22 THR 51 1HG2 THR 51 -0.665 -6.098 -7.560 431 HG23 THR 51 2HG2 THR 51 0.563 -6.243 -6.303 432 H PHE 52 H PHE 52 -0.767 -5.292 -3.182 433 HA PHE 52 HA PHE 52 -3.453 -4.162 -3.018 434 HB2 PHE 52 2HB PHE 52 -0.994 -3.966 -1.463 435 HB3 PHE 52 1HB PHE 52 -1.763 -2.409 -1.702 436 HD1 PHE 52 1HD PHE 52 -2.265 -5.829 -0.395 437 HD2 PHE 52 2HD PHE 52 -3.696 -1.822 -0.502 438 HE1 PHE 52 1HE PHE 52 -3.830 -6.343 1.434 439 HE2 PHE 52 2HE PHE 52 -5.265 -2.329 1.325 440 HZ PHE 52 HZ PHE 52 -5.332 -4.591 2.296 441 H THR 53 H THR 53 -4.017 -2.215 -3.893 442 HA THR 53 HA THR 53 -2.036 -0.735 -5.450 443 HB THR 53 HB THR 53 -4.642 -1.568 -6.711 444 HG1 THR 53 1HG THR 53 -3.365 -3.094 -7.856 445 HG21 THR 53 3HG2 THR 53 -3.668 -0.922 -8.775 446 HG22 THR 53 1HG2 THR 53 -2.098 -0.649 -8.019 447 HG23 THR 53 2HG2 THR 53 -3.454 0.415 -7.645 448 H VAL 54 H VAL 54 -2.384 1.421 -5.583 449 HA VAL 54 HA VAL 54 -4.952 2.434 -4.559 450 HB VAL 54 HB VAL 54 -2.514 2.761 -3.246 451 HG11 VAL 54 1HG1 VAL 54 -2.032 5.166 -3.340 452 HG12 VAL 54 2HG1 VAL 54 -3.256 5.375 -4.592 453 HG13 VAL 54 3HG1 VAL 54 -1.806 4.434 -4.931 454 HG21 VAL 54 3HG2 VAL 54 -4.612 2.883 -2.128 455 HG22 VAL 54 1HG2 VAL 54 -5.126 4.264 -3.097 456 HG23 VAL 54 2HG2 VAL 54 -3.839 4.456 -1.905 457 H THR 55 H THR 55 -5.996 3.737 -5.916 458 HA THR 55 HA THR 55 -4.480 4.866 -8.172 459 HB THR 55 HB THR 55 -7.388 4.918 -8.437 460 HG1 THR 55 1HG THR 55 -6.117 2.388 -8.289 461 HG21 THR 55 3HG2 THR 55 -6.911 3.794 -10.559 462 HG22 THR 55 1HG2 THR 55 -5.213 3.673 -10.100 463 HG23 THR 55 2HG2 THR 55 -5.951 5.257 -10.343 464 H GLU 56 H GLU 56 -4.572 7.007 -8.643 465 HA GLU 56 HA GLU 56 -4.638 9.228 -8.130 466 HB2 GLU 56 2HB GLU 56 -6.839 10.178 -8.080 467 HB3 GLU 56 1HB GLU 56 -6.863 8.802 -9.172 468 HG2 GLU 56 2HG GLU 56 -8.185 7.545 -7.784 469 HG3 GLU 56 1HG GLU 56 -7.666 8.401 -6.334 Start of MODEL 7 1 H1 THR 1 1HT THR 1 4.229 -14.916 2.800 2 H2 THR 1 2HT THR 1 2.741 -15.776 2.746 3 H3 THR 1 3HT THR 1 2.749 -14.053 2.798 4 HA THR 1 HA THR 1 3.905 -15.660 0.624 5 HB THR 1 HB THR 1 1.390 -14.112 0.292 6 HG1 THR 1 1HG THR 1 0.140 -15.657 1.214 7 HG21 THR 1 3HG2 THR 1 2.512 -16.654 -0.813 8 HG22 THR 1 1HG2 THR 1 2.047 -15.180 -1.663 9 HG23 THR 1 2HG2 THR 1 0.807 -16.239 -0.991 10 H THR 2 H THR 2 4.512 -14.411 -1.184 11 HA THR 2 HA THR 2 5.571 -11.839 -0.524 12 HB THR 2 HB THR 2 6.693 -13.423 -2.071 13 HG1 THR 2 1HG THR 2 7.240 -11.829 -3.617 14 HG21 THR 2 3HG2 THR 2 5.986 -13.738 -4.312 15 HG22 THR 2 1HG2 THR 2 4.632 -12.633 -4.103 16 HG23 THR 2 2HG2 THR 2 4.637 -14.177 -3.263 17 H TYR 3 H TYR 3 4.539 -9.979 -0.573 18 HA TYR 3 HA TYR 3 2.094 -9.744 -2.186 19 HB2 TYR 3 2HB TYR 3 3.076 -8.317 0.273 20 HB3 TYR 3 1HB TYR 3 1.811 -7.628 -0.741 21 HD1 TYR 3 2HD TYR 3 2.171 -11.245 -0.073 22 HD2 TYR 3 1HD TYR 3 0.092 -7.651 0.858 23 HE1 TYR 3 2HE TYR 3 0.462 -12.549 1.118 24 HE2 TYR 3 1HE TYR 3 -1.625 -8.952 2.052 25 HH TYR 3 HH TYR 3 -2.428 -11.633 1.778 26 H LYS 4 H LYS 4 1.701 -7.802 -3.386 27 HA LYS 4 HA LYS 4 4.106 -6.236 -4.031 28 HB2 LYS 4 2HB LYS 4 2.378 -7.821 -5.855 29 HB3 LYS 4 1HB LYS 4 2.926 -6.251 -6.436 30 HG2 LYS 4 2HG LYS 4 4.609 -7.574 -7.207 31 HG3 LYS 4 1HG LYS 4 5.265 -7.140 -5.627 32 HD2 LYS 4 2HD LYS 4 4.390 -9.242 -4.702 33 HD3 LYS 4 1HD LYS 4 3.771 -9.676 -6.296 34 HE2 LYS 4 2HE LYS 4 6.662 -9.003 -5.960 35 HE3 LYS 4 1HE LYS 4 6.076 -10.597 -5.485 36 HZ1 LYS 4 3HZ LYS 4 5.895 -9.362 -8.179 37 HZ2 LYS 4 1HZ LYS 4 5.144 -10.811 -7.751 38 HZ3 LYS 4 2HZ LYS 4 6.831 -10.688 -7.729 39 H LEU 5 H LEU 5 3.807 -4.086 -4.226 40 HA LEU 5 HA LEU 5 1.033 -3.081 -4.137 41 HB2 LEU 5 2HB LEU 5 2.438 -2.700 -2.018 42 HB3 LEU 5 1HB LEU 5 3.440 -1.659 -3.035 43 HG LEU 5 HG LEU 5 1.688 -0.104 -3.384 44 HD11 LEU 5 1HD1 LEU 5 -0.014 -2.329 -2.730 45 HD12 LEU 5 2HD1 LEU 5 -0.391 -0.832 -3.577 46 HD13 LEU 5 3HD1 LEU 5 -0.462 -0.891 -1.816 47 HD21 LEU 5 3HD2 LEU 5 2.617 0.523 -1.399 48 HD22 LEU 5 1HD2 LEU 5 2.161 -0.972 -0.584 49 HD23 LEU 5 2HD2 LEU 5 0.948 0.270 -0.890 50 H ILE 6 H ILE 6 0.492 -1.338 -5.329 51 HA ILE 6 HA ILE 6 2.569 -0.065 -6.918 52 HB ILE 6 HB ILE 6 -0.037 -0.932 -8.182 53 HG12 ILE 6 2HG1 ILE 6 1.294 -2.919 -7.592 54 HG13 ILE 6 1HG1 ILE 6 1.224 -2.686 -9.336 55 HG21 ILE 6 1HG2 ILE 6 0.766 0.871 -9.396 56 HG22 ILE 6 2HG2 ILE 6 1.431 -0.509 -10.269 57 HG23 ILE 6 3HG2 ILE 6 2.452 0.408 -9.162 58 HD11 ILE 6 3HD1 ILE 6 3.428 -2.667 -9.450 59 HD12 ILE 6 1HD1 ILE 6 3.493 -3.004 -7.721 60 HD13 ILE 6 2HD1 ILE 6 3.513 -1.336 -8.295 61 H LEU 7 H LEU 7 2.414 2.040 -6.479 62 HA LEU 7 HA LEU 7 -0.181 3.100 -5.638 63 HB2 LEU 7 2HB LEU 7 2.502 4.446 -5.385 64 HB3 LEU 7 1HB LEU 7 1.002 4.883 -4.575 65 HG LEU 7 HG LEU 7 1.144 2.581 -3.450 66 HD11 LEU 7 1HD1 LEU 7 3.844 2.214 -3.294 67 HD12 LEU 7 2HD1 LEU 7 3.625 2.616 -4.996 68 HD13 LEU 7 3HD1 LEU 7 2.745 1.262 -4.291 69 HD21 LEU 7 3HD2 LEU 7 2.692 3.437 -1.735 70 HD22 LEU 7 1HD2 LEU 7 1.516 4.646 -2.249 71 HD23 LEU 7 2HD2 LEU 7 3.176 4.723 -2.840 72 H ASN 8 H ASN 8 -1.236 4.662 -6.680 73 HA ASN 8 HA ASN 8 0.088 5.970 -8.959 74 HB2 ASN 8 2HB ASN 8 -2.154 4.131 -9.039 75 HB3 ASN 8 1HB ASN 8 -2.598 5.703 -9.704 76 HD21 ASN 8 1HD2 ASN 8 -2.446 5.666 -11.817 77 HD22 ASN 8 2HD2 ASN 8 -1.184 4.931 -12.740 78 H LEU 9 H LEU 9 0.220 8.025 -8.280 79 HA LEU 9 HA LEU 9 -2.196 9.246 -7.106 80 HB2 LEU 9 2HB LEU 9 -0.878 10.620 -5.770 81 HB3 LEU 9 1HB LEU 9 0.028 9.109 -5.748 82 HG LEU 9 HG LEU 9 0.677 11.465 -7.529 83 HD11 LEU 9 1HD1 LEU 9 1.841 10.583 -4.897 84 HD12 LEU 9 2HD1 LEU 9 1.064 12.123 -5.269 85 HD13 LEU 9 3HD1 LEU 9 2.622 11.726 -5.991 86 HD21 LEU 9 3HD2 LEU 9 1.744 8.724 -7.222 87 HD22 LEU 9 1HD2 LEU 9 2.925 10.023 -7.390 88 HD23 LEU 9 2HD2 LEU 9 1.702 9.777 -8.637 89 H LYS 10 H LYS 10 0.089 9.380 -9.697 90 HA LYS 10 HA LYS 10 -1.501 11.383 -11.024 91 HB2 LYS 10 2HB LYS 10 1.106 12.025 -9.804 92 HB3 LYS 10 1HB LYS 10 0.916 12.546 -11.476 93 HG2 LYS 10 2HG LYS 10 -1.339 13.528 -10.628 94 HG3 LYS 10 1HG LYS 10 -0.574 13.409 -9.044 95 HD2 LYS 10 2HD LYS 10 0.871 15.086 -9.466 96 HD3 LYS 10 1HD LYS 10 1.089 14.608 -11.152 97 HE2 LYS 10 2HE LYS 10 -0.160 16.374 -11.685 98 HE3 LYS 10 1HE LYS 10 -1.536 15.478 -11.044 99 HZ1 LYS 10 3HZ LYS 10 -1.705 17.319 -9.774 100 HZ2 LYS 10 1HZ LYS 10 -0.062 17.704 -9.881 101 HZ3 LYS 10 2HZ LYS 10 -0.583 16.505 -8.804 102 H GLN 11 H GLN 11 1.909 10.538 -11.503 103 HA GLN 11 HA GLN 11 1.139 9.019 -13.900 104 HB2 GLN 11 2HB GLN 11 2.141 11.478 -14.147 105 HB3 GLN 11 1HB GLN 11 3.659 10.603 -13.953 106 HG2 GLN 11 2HG GLN 11 3.434 10.594 -16.230 107 HG3 GLN 11 1HG GLN 11 2.661 9.059 -15.808 108 HE21 GLN 11 1HE2 GLN 11 1.662 9.342 -17.930 109 HE22 GLN 11 2HE2 GLN 11 0.220 10.289 -18.047 110 H ALA 12 H ALA 12 4.046 9.846 -11.997 111 HA ALA 12 HA ALA 12 5.437 7.478 -12.530 112 HB1 ALA 12 1HB ALA 12 6.888 8.088 -10.699 113 HB2 ALA 12 2HB ALA 12 5.673 9.201 -10.064 114 HB3 ALA 12 3HB ALA 12 6.461 9.535 -11.615 115 H LYS 13 H LYS 13 5.203 5.457 -11.824 116 HA LYS 13 HA LYS 13 3.265 4.952 -9.692 117 HB2 LYS 13 2HB LYS 13 3.241 2.625 -10.534 118 HB3 LYS 13 1HB LYS 13 2.933 3.759 -11.846 119 HG2 LYS 13 2HG LYS 13 4.647 2.966 -12.986 120 HG3 LYS 13 1HG LYS 13 5.745 3.268 -11.641 121 HD2 LYS 13 2HD LYS 13 5.512 1.127 -10.802 122 HD3 LYS 13 1HD LYS 13 3.943 0.887 -11.572 123 HE2 LYS 13 2HE LYS 13 6.206 1.319 -13.409 124 HE3 LYS 13 1HE LYS 13 6.260 -0.178 -12.471 125 HZ1 LYS 13 3HZ LYS 13 3.718 0.478 -13.731 126 HZ2 LYS 13 1HZ LYS 13 4.484 -1.021 -13.549 127 HZ3 LYS 13 2HZ LYS 13 4.974 0.039 -14.772 128 H GLU 14 H GLU 14 3.784 4.014 -7.799 129 HA GLU 14 HA GLU 14 6.635 3.527 -7.291 130 HB2 GLU 14 2HB GLU 14 4.460 4.721 -5.739 131 HB3 GLU 14 1HB GLU 14 5.374 3.521 -4.824 132 HG2 GLU 14 2HG GLU 14 6.816 5.637 -6.358 133 HG3 GLU 14 1HG GLU 14 6.092 6.016 -4.795 134 H GLU 15 H GLU 15 7.225 1.716 -5.910 135 HA GLU 15 HA GLU 15 5.293 -0.503 -6.081 136 HB2 GLU 15 2HB GLU 15 8.278 -0.853 -6.262 137 HB3 GLU 15 1HB GLU 15 7.021 -2.016 -6.663 138 HG2 GLU 15 2HG GLU 15 6.337 -0.555 -8.542 139 HG3 GLU 15 1HG GLU 15 7.703 0.497 -8.171 140 H ALA 16 H ALA 16 5.662 -2.258 -4.535 141 HA ALA 16 HA ALA 16 7.303 -1.901 -2.247 142 HB1 ALA 16 1HB ALA 16 5.046 -0.367 -2.089 143 HB2 ALA 16 2HB ALA 16 5.863 -1.048 -0.679 144 HB3 ALA 16 3HB ALA 16 4.468 -1.874 -1.376 145 H ILE 17 H ILE 17 7.427 -3.793 -1.085 146 HA ILE 17 HA ILE 17 5.551 -5.941 -1.763 147 HB ILE 17 HB ILE 17 7.667 -7.471 -1.699 148 HG12 ILE 17 2HG1 ILE 17 9.599 -6.376 -2.856 149 HG13 ILE 17 1HG1 ILE 17 8.802 -4.822 -2.627 150 HG21 ILE 17 1HG2 ILE 17 7.200 -7.815 -3.856 151 HG22 ILE 17 2HG2 ILE 17 7.621 -6.163 -4.304 152 HG23 ILE 17 3HG2 ILE 17 6.016 -6.522 -3.671 153 HD11 ILE 17 3HD1 ILE 17 10.644 -5.592 -0.979 154 HD12 ILE 17 1HD1 ILE 17 9.354 -6.563 -0.270 155 HD13 ILE 17 2HD1 ILE 17 9.190 -4.809 -0.360 156 H LYS 18 H LYS 18 5.169 -7.421 -0.191 157 HA LYS 18 HA LYS 18 6.745 -7.307 2.260 158 HB2 LYS 18 2HB LYS 18 3.741 -7.114 2.382 159 HB3 LYS 18 1HB LYS 18 4.901 -6.847 3.679 160 HG2 LYS 18 2HG LYS 18 4.763 -5.117 1.245 161 HG3 LYS 18 1HG LYS 18 3.821 -4.790 2.690 162 HD2 LYS 18 2HD LYS 18 5.695 -4.230 3.929 163 HD3 LYS 18 1HD LYS 18 6.774 -5.196 2.921 164 HE2 LYS 18 2HE LYS 18 6.435 -3.562 1.085 165 HE3 LYS 18 1HE LYS 18 5.486 -2.570 2.190 166 HZ1 LYS 18 3HZ LYS 18 7.470 -1.610 2.558 167 HZ2 LYS 18 1HZ LYS 18 8.358 -2.959 2.051 168 HZ3 LYS 18 2HZ LYS 18 7.708 -2.912 3.612 169 H GLU 19 H GLU 19 6.912 -9.226 3.296 170 HA GLU 19 HA GLU 19 5.401 -11.476 2.150 171 HB2 GLU 19 2HB GLU 19 8.087 -11.189 2.216 172 HB3 GLU 19 1HB GLU 19 7.833 -12.019 3.746 173 HG2 GLU 19 2HG GLU 19 6.298 -13.493 2.028 174 HG3 GLU 19 1HG GLU 19 7.660 -13.023 1.014 175 H ALA 20 H ALA 20 3.824 -12.199 3.408 176 HA ALA 20 HA ALA 20 4.206 -13.075 6.044 177 HB1 ALA 20 1HB ALA 20 2.743 -10.452 5.831 178 HB2 ALA 20 2HB ALA 20 4.305 -10.716 6.607 179 HB3 ALA 20 3HB ALA 20 2.850 -11.453 7.280 180 H VAL 21 H VAL 21 2.403 -14.168 6.874 181 HA VAL 21 HA VAL 21 0.528 -15.045 4.905 182 HB VAL 21 HB VAL 21 1.389 -16.566 6.637 183 HG11 VAL 21 1HG1 VAL 21 1.134 -16.282 8.875 184 HG12 VAL 21 2HG1 VAL 21 -0.403 -15.433 8.705 185 HG13 VAL 21 3HG1 VAL 21 1.112 -14.584 8.394 186 HG21 VAL 21 3HG2 VAL 21 -0.764 -17.600 7.252 187 HG22 VAL 21 1HG2 VAL 21 -0.708 -17.117 5.557 188 HG23 VAL 21 2HG2 VAL 21 -1.595 -16.143 6.724 189 H ASP 22 H ASP 22 0.473 -12.775 7.545 190 HA ASP 22 HA ASP 22 -2.403 -12.441 7.425 191 HB2 ASP 22 2HB ASP 22 -1.224 -12.300 9.592 192 HB3 ASP 22 1HB ASP 22 -0.328 -10.902 9.004 193 H ALA 23 H ALA 23 -2.779 -11.672 5.365 194 HA ALA 23 HA ALA 23 -1.480 -9.803 3.886 195 HB1 ALA 23 1HB ALA 23 -3.450 -9.481 2.659 196 HB2 ALA 23 2HB ALA 23 -4.474 -9.768 4.065 197 HB3 ALA 23 3HB ALA 23 -3.598 -11.107 3.326 198 H GLY 24 H GLY 24 -3.560 -9.195 6.650 199 HA2 GLY 24 2HA GLY 24 -3.957 -6.453 6.362 200 HA3 GLY 24 1HA GLY 24 -3.901 -7.299 7.899 201 H ILE 25 H ILE 25 -1.117 -8.207 7.322 202 HA ILE 25 HA ILE 25 0.225 -6.042 8.584 203 HB ILE 25 HB ILE 25 1.247 -8.627 7.408 204 HG12 ILE 25 2HG1 ILE 25 -0.031 -8.963 9.419 205 HG13 ILE 25 1HG1 ILE 25 1.671 -9.135 9.831 206 HG21 ILE 25 1HG2 ILE 25 3.278 -7.855 8.981 207 HG22 ILE 25 2HG2 ILE 25 2.734 -6.278 8.406 208 HG23 ILE 25 3HG2 ILE 25 3.213 -7.520 7.250 209 HD11 ILE 25 3HD1 ILE 25 -0.147 -6.824 10.425 210 HD12 ILE 25 1HD1 ILE 25 1.605 -6.743 10.604 211 HD13 ILE 25 2HD1 ILE 25 0.672 -7.892 11.563 212 H ALA 26 H ALA 26 0.133 -7.282 5.268 213 HA ALA 26 HA ALA 26 2.212 -5.629 4.312 214 HB1 ALA 26 1HB ALA 26 1.396 -7.659 3.134 215 HB2 ALA 26 2HB ALA 26 1.557 -6.228 2.109 216 HB3 ALA 26 3HB ALA 26 -0.039 -6.744 2.664 217 H GLU 27 H GLU 27 -1.332 -5.242 4.313 218 HA GLU 27 HA GLU 27 -1.409 -2.852 2.867 219 HB2 GLU 27 2HB GLU 27 -3.549 -2.361 4.025 220 HB3 GLU 27 1HB GLU 27 -3.489 -3.982 3.350 221 HG2 GLU 27 2HG GLU 27 -2.798 -4.759 5.638 222 HG3 GLU 27 1HG GLU 27 -3.225 -3.151 6.217 223 H LYS 28 H LYS 28 -0.629 -3.504 6.213 224 HA LYS 28 HA LYS 28 -0.728 -0.855 7.175 225 HB2 LYS 28 2HB LYS 28 0.850 -3.269 8.057 226 HB3 LYS 28 1HB LYS 28 0.932 -1.728 8.898 227 HG2 LYS 28 2HG LYS 28 -1.680 -1.974 8.924 228 HG3 LYS 28 1HG LYS 28 -1.290 -3.682 8.732 229 HD2 LYS 28 2HD LYS 28 0.233 -2.213 10.794 230 HD3 LYS 28 1HD LYS 28 -1.482 -2.474 11.123 231 HE2 LYS 28 2HE LYS 28 -0.111 -4.838 10.093 232 HE3 LYS 28 1HE LYS 28 0.536 -4.262 11.628 233 HZ1 LYS 28 3HZ LYS 28 -1.152 -5.716 12.229 234 HZ2 LYS 28 1HZ LYS 28 -2.201 -5.181 11.014 235 HZ3 LYS 28 2HZ LYS 28 -1.894 -4.201 12.358 236 H TYR 29 H TYR 29 1.852 -2.772 5.704 237 HA TYR 29 HA TYR 29 3.793 -0.656 5.875 238 HB2 TYR 29 2HB TYR 29 3.722 -3.403 4.770 239 HB3 TYR 29 1HB TYR 29 4.842 -2.272 4.005 240 HD1 TYR 29 2HD TYR 29 5.628 -0.545 6.156 241 HD2 TYR 29 1HD TYR 29 5.176 -4.772 6.154 242 HE1 TYR 29 2HE TYR 29 7.222 -0.682 7.973 243 HE2 TYR 29 1HE TYR 29 6.802 -4.940 7.998 244 HH TYR 29 HH TYR 29 8.861 -3.249 8.799 245 H PHE 30 H PHE 30 1.607 -1.898 3.556 246 HA PHE 30 HA PHE 30 2.570 -0.539 1.298 247 HB2 PHE 30 2HB PHE 30 -0.121 -1.697 2.065 248 HB3 PHE 30 1HB PHE 30 0.179 -1.004 0.470 249 HD1 PHE 30 2HD PHE 30 3.219 -2.273 0.832 250 HD2 PHE 30 1HD PHE 30 -0.728 -3.714 0.813 251 HE1 PHE 30 2HE PHE 30 4.032 -4.396 -0.060 252 HE2 PHE 30 1HE PHE 30 0.046 -5.878 -0.066 253 HZ PHE 30 HZ PHE 30 2.448 -6.204 -0.501 254 H LYS 31 H LYS 31 0.317 0.154 3.877 255 HA LYS 31 HA LYS 31 -0.298 2.788 2.844 256 HB2 LYS 31 2HB LYS 31 -1.826 3.009 4.646 257 HB3 LYS 31 1HB LYS 31 -1.993 1.355 4.076 258 HG2 LYS 31 2HG LYS 31 -0.483 0.649 5.942 259 HG3 LYS 31 1HG LYS 31 -0.547 2.306 6.544 260 HD2 LYS 31 2HD LYS 31 -3.043 0.718 6.028 261 HD3 LYS 31 1HD LYS 31 -2.169 0.597 7.557 262 HE2 LYS 31 2HE LYS 31 -2.920 2.582 8.265 263 HE3 LYS 31 1HE LYS 31 -2.621 3.350 6.706 264 HZ1 LYS 31 3HZ LYS 31 -4.961 3.379 7.218 265 HZ2 LYS 31 1HZ LYS 31 -4.985 1.700 7.420 266 HZ3 LYS 31 2HZ LYS 31 -4.693 2.364 5.893 267 H LEU 32 H LEU 32 1.979 1.209 4.900 268 HA LEU 32 HA LEU 32 2.671 3.437 6.538 269 HB2 LEU 32 2HB LEU 32 3.357 0.877 6.679 270 HB3 LEU 32 1HB LEU 32 4.776 1.457 5.824 271 HG LEU 32 HG LEU 32 5.020 3.174 7.678 272 HD11 LEU 32 1HD1 LEU 32 3.338 1.328 9.316 273 HD12 LEU 32 2HD1 LEU 32 2.599 2.672 8.447 274 HD13 LEU 32 3HD1 LEU 32 3.843 2.983 9.655 275 HD21 LEU 32 3HD2 LEU 32 6.329 1.036 7.401 276 HD22 LEU 32 1HD2 LEU 32 5.235 0.314 8.581 277 HD23 LEU 32 2HD2 LEU 32 6.249 1.684 9.043 278 H ILE 33 H ILE 33 3.948 2.221 3.457 279 HA ILE 33 HA ILE 33 5.709 4.513 3.235 280 HB ILE 33 HB ILE 33 6.535 2.342 2.457 281 HG12 ILE 33 2HG1 ILE 33 7.562 3.117 0.481 282 HG13 ILE 33 1HG1 ILE 33 6.149 4.056 0.011 283 HG21 ILE 33 1HG2 ILE 33 4.883 2.303 0.029 284 HG22 ILE 33 2HG2 ILE 33 4.033 1.901 1.521 285 HG23 ILE 33 3HG2 ILE 33 5.454 0.975 1.040 286 HD11 ILE 33 3HD1 ILE 33 7.526 4.803 2.526 287 HD12 ILE 33 1HD1 ILE 33 6.712 5.819 1.335 288 HD13 ILE 33 2HD1 ILE 33 8.323 5.182 0.999 289 H ALA 34 H ALA 34 2.686 3.316 1.856 290 HA ALA 34 HA ALA 34 2.462 5.092 -0.291 291 HB1 ALA 34 1HB ALA 34 0.906 3.341 -0.245 292 HB2 ALA 34 2HB ALA 34 -0.053 4.780 0.104 293 HB3 ALA 34 3HB ALA 34 0.424 3.700 1.411 294 H ASN 35 H ASN 35 1.967 5.515 3.135 295 HA ASN 35 HA ASN 35 0.786 8.151 2.800 296 HB2 ASN 35 2HB ASN 35 1.298 6.321 5.103 297 HB3 ASN 35 1HB ASN 35 1.176 8.047 5.430 298 HD21 ASN 35 1HD2 ASN 35 -0.720 7.891 6.561 299 HD22 ASN 35 2HD2 ASN 35 -2.231 7.503 5.818 300 H ALA 36 H ALA 36 3.833 6.648 3.619 301 HA ALA 36 HA ALA 36 5.123 9.044 4.501 302 HB1 ALA 36 1HB ALA 36 5.827 6.751 5.169 303 HB2 ALA 36 2HB ALA 36 7.135 7.747 4.538 304 HB3 ALA 36 3HB ALA 36 6.414 6.501 3.524 305 H LYS 37 H LYS 37 4.571 7.507 1.438 306 HA LYS 37 HA LYS 37 6.511 9.226 0.095 307 HB2 LYS 37 2HB LYS 37 4.833 6.910 -0.856 308 HB3 LYS 37 1HB LYS 37 5.611 7.998 -1.992 309 HG2 LYS 37 2HG LYS 37 7.467 7.105 0.028 310 HG3 LYS 37 1HG LYS 37 6.717 5.747 -0.813 311 HD2 LYS 37 2HD LYS 37 7.429 6.579 -2.938 312 HD3 LYS 37 1HD LYS 37 7.972 8.098 -2.222 313 HE2 LYS 37 2HE LYS 37 9.152 5.597 -1.157 314 HE3 LYS 37 1HE LYS 37 9.635 6.085 -2.782 315 HZ1 LYS 37 3HZ LYS 37 10.831 6.953 -0.586 316 HZ2 LYS 37 1HZ LYS 37 9.671 8.170 -0.757 317 HZ3 LYS 37 2HZ LYS 37 10.764 7.857 -2.009 318 H THR 38 H THR 38 3.033 8.503 -0.059 319 HA THR 38 HA THR 38 2.484 11.282 -0.718 320 HB THR 38 HB THR 38 2.806 10.176 -2.906 321 HG1 THR 38 1HG THR 38 1.142 11.831 -2.517 322 HG21 THR 38 3HG2 THR 38 0.661 8.343 -1.910 323 HG22 THR 38 1HG2 THR 38 2.210 7.943 -2.651 324 HG23 THR 38 2HG2 THR 38 0.915 8.629 -3.632 325 H VAL 39 H VAL 39 -0.284 10.568 -1.552 326 HA VAL 39 HA VAL 39 -1.518 9.021 0.454 327 HB VAL 39 HB VAL 39 -0.673 11.132 1.711 328 HG11 VAL 39 1HG1 VAL 39 -3.234 12.414 0.977 329 HG12 VAL 39 2HG1 VAL 39 -1.920 12.528 -0.193 330 HG13 VAL 39 3HG1 VAL 39 -1.696 13.134 1.448 331 HG21 VAL 39 3HG2 VAL 39 -3.543 10.839 2.278 332 HG22 VAL 39 1HG2 VAL 39 -2.144 10.613 3.329 333 HG23 VAL 39 2HG2 VAL 39 -2.625 9.335 2.214 334 H GLU 40 H GLU 40 -4.036 9.795 0.594 335 HA GLU 40 HA GLU 40 -5.995 10.002 -0.510 336 HB2 GLU 40 2HB GLU 40 -5.252 12.289 -0.927 337 HB3 GLU 40 1HB GLU 40 -4.381 11.755 -2.364 338 HG2 GLU 40 2HG GLU 40 -6.429 12.777 -3.042 339 HG3 GLU 40 1HG GLU 40 -6.538 11.044 -3.345 340 H GLY 41 H GLY 41 -7.102 8.781 -1.880 341 HA2 GLY 41 2HA GLY 41 -6.936 8.004 -4.389 342 HA3 GLY 41 1HA GLY 41 -5.533 7.144 -3.761 343 H VAL 42 H VAL 42 -7.834 5.973 -4.994 344 HA VAL 42 HA VAL 42 -9.463 4.816 -2.921 345 HB VAL 42 HB VAL 42 -10.256 3.303 -4.805 346 HG11 VAL 42 1HG1 VAL 42 -11.759 4.901 -5.588 347 HG12 VAL 42 2HG1 VAL 42 -10.568 6.198 -5.510 348 HG13 VAL 42 3HG1 VAL 42 -11.254 5.541 -4.025 349 HG21 VAL 42 3HG2 VAL 42 -9.212 5.150 -6.824 350 HG22 VAL 42 1HG2 VAL 42 -9.380 3.395 -6.868 351 HG23 VAL 42 2HG2 VAL 42 -7.987 4.128 -6.073 352 H TRP 43 H TRP 43 -8.471 3.495 -1.540 353 HA TRP 43 HA TRP 43 -6.277 1.825 -2.267 354 HB2 TRP 43 2HB TRP 43 -7.732 2.664 0.132 355 HB3 TRP 43 1HB TRP 43 -7.077 1.045 0.220 356 HD1 TRP 43 HD TRP 43 -6.025 4.718 -0.006 357 HE1 TRP 43 1HE TRP 43 -3.546 4.922 0.625 358 HE3 TRP 43 3HE TRP 43 -4.787 -0.271 0.252 359 HZ2 TRP 43 2HZ TRP 43 -1.370 3.218 1.157 360 HZ3 TRP 43 3HZ TRP 43 -2.470 -0.843 0.830 361 HH2 TRP 43 HH TRP 43 -0.817 0.853 1.260 362 H THR 44 H THR 44 -6.374 -0.192 -3.027 363 HA THR 44 HA THR 44 -8.601 -1.925 -2.303 364 HB THR 44 HB THR 44 -8.798 -2.610 -4.760 365 HG1 THR 44 1HG THR 44 -7.578 -0.074 -5.101 366 HG21 THR 44 3HG2 THR 44 -10.524 -1.154 -5.188 367 HG22 THR 44 1HG2 THR 44 -9.704 0.209 -4.429 368 HG23 THR 44 2HG2 THR 44 -10.399 -1.068 -3.431 369 H TYR 45 H TYR 45 -8.212 -4.180 -2.804 370 HA TYR 45 HA TYR 45 -5.439 -4.854 -3.460 371 HB2 TYR 45 2HB TYR 45 -5.175 -4.976 -1.159 372 HB3 TYR 45 1HB TYR 45 -6.840 -5.484 -0.881 373 HD1 TYR 45 1HD TYR 45 -3.494 -6.618 -1.959 374 HD2 TYR 45 2HD TYR 45 -7.425 -7.794 -0.834 375 HE1 TYR 45 1HE TYR 45 -2.736 -8.950 -1.771 376 HE2 TYR 45 2HE TYR 45 -6.679 -10.129 -0.645 377 HH TYR 45 HH TYR 45 -3.977 -11.167 -0.187 378 H LYS 46 H LYS 46 -5.350 -6.404 -4.926 379 HA LYS 46 HA LYS 46 -7.748 -8.017 -5.423 380 HB2 LYS 46 2HB LYS 46 -5.315 -7.845 -7.195 381 HB3 LYS 46 1HB LYS 46 -6.944 -8.366 -7.627 382 HG2 LYS 46 2HG LYS 46 -7.719 -6.033 -7.206 383 HG3 LYS 46 1HG LYS 46 -6.029 -5.569 -6.992 384 HD2 LYS 46 2HD LYS 46 -5.504 -5.994 -9.224 385 HD3 LYS 46 1HD LYS 46 -6.931 -7.003 -9.465 386 HE2 LYS 46 2HE LYS 46 -8.342 -4.981 -9.184 387 HE3 LYS 46 1HE LYS 46 -6.872 -4.012 -9.092 388 HZ1 LYS 46 3HZ LYS 46 -7.845 -5.591 -11.407 389 HZ2 LYS 46 1HZ LYS 46 -6.298 -4.909 -11.331 390 HZ3 LYS 46 2HZ LYS 46 -7.665 -3.912 -11.309 391 H ASP 47 H ASP 47 -7.759 -10.204 -5.225 392 HA ASP 47 HA ASP 47 -5.798 -11.434 -3.620 393 HB2 ASP 47 2HB ASP 47 -8.029 -12.317 -3.561 394 HB3 ASP 47 1HB ASP 47 -8.018 -12.625 -5.299 395 H GLU 48 H GLU 48 -6.550 -13.293 -6.468 396 HA GLU 48 HA GLU 48 -5.205 -14.363 -7.950 397 HB2 GLU 48 2HB GLU 48 -4.102 -11.563 -8.043 398 HB3 GLU 48 1HB GLU 48 -3.569 -12.824 -9.141 399 HG2 GLU 48 2HG GLU 48 -6.343 -11.701 -8.883 400 HG3 GLU 48 1HG GLU 48 -5.227 -11.501 -10.233 401 H ILE 49 H ILE 49 -2.690 -12.177 -6.766 402 HA ILE 49 HA ILE 49 -1.315 -14.458 -5.524 403 HB ILE 49 HB ILE 49 0.833 -13.739 -6.450 404 HG12 ILE 49 2HG1 ILE 49 0.148 -11.340 -6.797 405 HG13 ILE 49 1HG1 ILE 49 1.022 -12.058 -8.148 406 HG21 ILE 49 1HG2 ILE 49 0.276 -14.293 -8.907 407 HG22 ILE 49 2HG2 ILE 49 -1.375 -14.494 -8.322 408 HG23 ILE 49 3HG2 ILE 49 -0.079 -15.493 -7.663 409 HD11 ILE 49 3HD1 ILE 49 -0.610 -11.364 -9.467 410 HD12 ILE 49 1HD1 ILE 49 -1.583 -10.867 -8.082 411 HD13 ILE 49 2HD1 ILE 49 -1.679 -12.523 -8.676 412 H LYS 50 H LYS 50 -2.824 -12.194 -4.438 413 HA LYS 50 HA LYS 50 -2.703 -10.735 -2.699 414 HB2 LYS 50 2HB LYS 50 0.027 -11.963 -2.320 415 HB3 LYS 50 1HB LYS 50 -0.779 -10.933 -1.156 416 HG2 LYS 50 2HG LYS 50 -1.488 -12.850 -0.262 417 HG3 LYS 50 1HG LYS 50 -2.673 -12.833 -1.568 418 HD2 LYS 50 2HD LYS 50 -0.559 -13.963 -2.820 419 HD3 LYS 50 1HD LYS 50 -0.321 -14.547 -1.172 420 HE2 LYS 50 2HE LYS 50 -2.989 -14.946 -1.504 421 HE3 LYS 50 1HE LYS 50 -2.395 -15.223 -3.139 422 HZ1 LYS 50 3HZ LYS 50 -1.351 -16.568 -0.704 423 HZ2 LYS 50 1HZ LYS 50 -0.884 -16.880 -2.300 424 HZ3 LYS 50 2HZ LYS 50 -2.452 -17.256 -1.789 425 H THR 51 H THR 51 -2.769 -8.834 -3.853 426 HA THR 51 HA THR 51 -0.291 -7.324 -3.884 427 HB THR 51 HB THR 51 -1.951 -7.668 -6.388 428 HG1 THR 51 1HG THR 51 -0.337 -8.892 -7.130 429 HG21 THR 51 3HG2 THR 51 0.706 -6.367 -6.422 430 HG22 THR 51 1HG2 THR 51 -0.670 -5.423 -5.852 431 HG23 THR 51 2HG2 THR 51 -0.692 -6.127 -7.468 432 H PHE 52 H PHE 52 -0.589 -5.261 -3.351 433 HA PHE 52 HA PHE 52 -3.356 -4.304 -3.127 434 HB2 PHE 52 2HB PHE 52 -0.974 -4.058 -1.476 435 HB3 PHE 52 1HB PHE 52 -1.765 -2.516 -1.726 436 HD1 PHE 52 2HD PHE 52 -2.086 -5.882 -0.314 437 HD2 PHE 52 1HD PHE 52 -3.924 -2.069 -0.781 438 HE1 PHE 52 2HE PHE 52 -3.723 -6.459 1.432 439 HE2 PHE 52 1HE PHE 52 -5.561 -2.639 0.965 440 HZ PHE 52 HZ PHE 52 -5.462 -4.837 2.073 441 H THR 53 H THR 53 -3.966 -2.351 -3.958 442 HA THR 53 HA THR 53 -2.003 -0.777 -5.443 443 HB THR 53 HB THR 53 -4.529 -1.838 -6.717 444 HG1 THR 53 1HG THR 53 -3.130 -3.495 -6.747 445 HG21 THR 53 3HG2 THR 53 -2.269 -0.343 -8.016 446 HG22 THR 53 1HG2 THR 53 -3.802 0.389 -7.544 447 HG23 THR 53 2HG2 THR 53 -3.772 -0.885 -8.762 448 H VAL 54 H VAL 54 -2.457 1.372 -5.624 449 HA VAL 54 HA VAL 54 -5.049 2.274 -4.555 450 HB VAL 54 HB VAL 54 -2.601 2.723 -3.291 451 HG11 VAL 54 1HG1 VAL 54 -3.494 5.288 -4.641 452 HG12 VAL 54 2HG1 VAL 54 -2.004 4.418 -4.992 453 HG13 VAL 54 3HG1 VAL 54 -2.244 5.152 -3.405 454 HG21 VAL 54 3HG2 VAL 54 -4.631 2.762 -2.086 455 HG22 VAL 54 1HG2 VAL 54 -5.303 4.042 -3.096 456 HG23 VAL 54 2HG2 VAL 54 -4.000 4.407 -1.965 457 H THR 55 H THR 55 -6.181 3.454 -5.937 458 HA THR 55 HA THR 55 -4.762 4.689 -8.201 459 HB THR 55 HB THR 55 -7.693 4.387 -8.366 460 HG1 THR 55 1HG THR 55 -7.514 2.154 -8.816 461 HG21 THR 55 3HG2 THR 55 -6.520 3.108 -10.506 462 HG22 THR 55 1HG2 THR 55 -5.421 4.441 -10.152 463 HG23 THR 55 2HG2 THR 55 -7.125 4.764 -10.472 464 H GLU 56 H GLU 56 -4.816 6.830 -8.468 465 HA GLU 56 HA GLU 56 -6.679 8.378 -6.788 466 HB2 GLU 56 2HB GLU 56 -4.133 8.476 -6.315 467 HB3 GLU 56 1HB GLU 56 -4.053 9.452 -7.774 468 HG2 GLU 56 2HG GLU 56 -6.072 10.253 -5.781 469 HG3 GLU 56 1HG GLU 56 -4.383 10.470 -5.323 Start of MODEL 8 1 H1 THR 1 1HT THR 1 1.580 -16.165 1.037 2 H2 THR 1 2HT THR 1 1.791 -14.974 -0.182 3 H3 THR 1 3HT THR 1 1.775 -14.520 1.471 4 HA THR 1 HA THR 1 3.768 -15.709 1.873 5 HB THR 1 HB THR 1 4.039 -16.220 -1.065 6 HG1 THR 1 1HG THR 1 2.785 -18.018 0.726 7 HG21 THR 1 3HG2 THR 1 4.961 -17.906 1.233 8 HG22 THR 1 1HG2 THR 1 5.919 -16.580 0.573 9 HG23 THR 1 2HG2 THR 1 5.494 -17.961 -0.449 10 H THR 2 H THR 2 3.276 -14.144 -1.296 11 HA THR 2 HA THR 2 5.140 -12.033 -0.442 12 HB THR 2 HB THR 2 4.983 -12.835 -3.320 13 HG1 THR 2 1HG THR 2 6.422 -14.179 -1.295 14 HG21 THR 2 3HG2 THR 2 7.562 -12.236 -2.081 15 HG22 THR 2 1HG2 THR 2 6.406 -10.905 -2.059 16 HG23 THR 2 2HG2 THR 2 6.858 -11.656 -3.590 17 H TYR 3 H TYR 3 4.247 -10.087 -0.484 18 HA TYR 3 HA TYR 3 1.805 -9.692 -2.067 19 HB2 TYR 3 2HB TYR 3 2.886 -8.401 0.418 20 HB3 TYR 3 1HB TYR 3 1.704 -7.562 -0.584 21 HD1 TYR 3 2HD TYR 3 1.717 -11.213 -0.046 22 HD2 TYR 3 1HD TYR 3 -0.039 -7.481 0.994 23 HE1 TYR 3 2HE TYR 3 -0.124 -12.402 1.072 24 HE2 TYR 3 1HE TYR 3 -1.888 -8.660 2.117 25 HH TYR 3 HH TYR 3 -2.550 -11.887 1.672 26 H LYS 4 H LYS 4 1.517 -7.789 -3.310 27 HA LYS 4 HA LYS 4 3.974 -6.291 -3.918 28 HB2 LYS 4 2HB LYS 4 2.683 -8.140 -5.640 29 HB3 LYS 4 1HB LYS 4 2.390 -6.531 -6.292 30 HG2 LYS 4 2HG LYS 4 4.476 -6.354 -7.028 31 HG3 LYS 4 1HG LYS 4 5.144 -6.861 -5.475 32 HD2 LYS 4 2HD LYS 4 4.696 -9.215 -6.094 33 HD3 LYS 4 1HD LYS 4 4.135 -8.664 -7.674 34 HE2 LYS 4 2HE LYS 4 6.244 -8.097 -8.378 35 HE3 LYS 4 1HE LYS 4 6.829 -7.810 -6.740 36 HZ1 LYS 4 3HZ LYS 4 7.854 -9.769 -7.461 37 HZ2 LYS 4 1HZ LYS 4 6.420 -10.402 -8.096 38 HZ3 LYS 4 2HZ LYS 4 6.623 -10.286 -6.422 39 H LEU 5 H LEU 5 3.734 -4.137 -4.179 40 HA LEU 5 HA LEU 5 0.985 -3.059 -4.146 41 HB2 LEU 5 2HB LEU 5 2.378 -2.676 -2.018 42 HB3 LEU 5 1HB LEU 5 3.413 -1.675 -3.044 43 HG LEU 5 HG LEU 5 1.672 -0.105 -3.461 44 HD11 LEU 5 1HD1 LEU 5 -0.433 -0.762 -3.553 45 HD12 LEU 5 2HD1 LEU 5 -0.444 -0.840 -1.791 46 HD13 LEU 5 3HD1 LEU 5 -0.048 -2.273 -2.737 47 HD21 LEU 5 3HD2 LEU 5 2.730 0.495 -1.494 48 HD22 LEU 5 1HD2 LEU 5 2.072 -0.875 -0.602 49 HD23 LEU 5 2HD2 LEU 5 1.027 0.480 -1.032 50 H ILE 6 H ILE 6 0.504 -1.325 -5.370 51 HA ILE 6 HA ILE 6 2.622 -0.107 -6.942 52 HB ILE 6 HB ILE 6 0.051 -1.065 -8.224 53 HG12 ILE 6 2HG1 ILE 6 1.510 -2.962 -7.664 54 HG13 ILE 6 1HG1 ILE 6 1.434 -2.712 -9.406 55 HG21 ILE 6 1HG2 ILE 6 0.842 0.897 -9.311 56 HG22 ILE 6 2HG2 ILE 6 1.281 -0.475 -10.329 57 HG23 ILE 6 3HG2 ILE 6 2.501 0.299 -9.318 58 HD11 ILE 6 3HD1 ILE 6 3.710 -2.962 -7.843 59 HD12 ILE 6 1HD1 ILE 6 3.624 -1.247 -8.243 60 HD13 ILE 6 2HD1 ILE 6 3.627 -2.453 -9.530 61 H LEU 7 H LEU 7 2.462 2.013 -6.549 62 HA LEU 7 HA LEU 7 -0.165 3.092 -5.826 63 HB2 LEU 7 2HB LEU 7 2.559 4.308 -5.383 64 HB3 LEU 7 1HB LEU 7 1.029 4.944 -4.794 65 HG LEU 7 HG LEU 7 0.888 2.569 -3.628 66 HD11 LEU 7 1HD1 LEU 7 2.827 1.454 -3.271 67 HD12 LEU 7 2HD1 LEU 7 3.809 2.916 -3.341 68 HD13 LEU 7 3HD1 LEU 7 3.232 2.171 -4.830 69 HD21 LEU 7 3HD2 LEU 7 2.216 5.100 -2.818 70 HD22 LEU 7 1HD2 LEU 7 2.360 3.705 -1.749 71 HD23 LEU 7 2HD2 LEU 7 0.766 4.327 -2.177 72 H ASN 8 H ASN 8 -1.069 4.824 -6.819 73 HA ASN 8 HA ASN 8 0.380 6.030 -9.075 74 HB2 ASN 8 2HB ASN 8 -1.914 4.277 -9.259 75 HB3 ASN 8 1HB ASN 8 -2.301 5.872 -9.905 76 HD21 ASN 8 1HD2 ASN 8 -1.900 6.120 -11.968 77 HD22 ASN 8 2HD2 ASN 8 -0.709 5.274 -12.885 78 H LEU 9 H LEU 9 0.564 8.089 -8.426 79 HA LEU 9 HA LEU 9 -1.823 9.401 -7.299 80 HB2 LEU 9 2HB LEU 9 -0.439 10.803 -6.020 81 HB3 LEU 9 1HB LEU 9 0.327 9.221 -5.886 82 HG LEU 9 HG LEU 9 1.248 11.309 -7.862 83 HD11 LEU 9 1HD1 LEU 9 3.121 11.608 -6.156 84 HD12 LEU 9 2HD1 LEU 9 2.010 10.887 -4.993 85 HD13 LEU 9 3HD1 LEU 9 1.576 12.387 -5.812 86 HD21 LEU 9 3HD2 LEU 9 2.022 8.584 -7.154 87 HD22 LEU 9 1HD2 LEU 9 3.366 9.725 -7.143 88 HD23 LEU 9 2HD2 LEU 9 2.389 9.529 -8.596 89 H LYS 10 H LYS 10 0.796 9.718 -9.644 90 HA LYS 10 HA LYS 10 -0.706 11.128 -11.501 91 HB2 LYS 10 2HB LYS 10 0.351 12.791 -9.375 92 HB3 LYS 10 1HB LYS 10 0.977 13.286 -10.932 93 HG2 LYS 10 2HG LYS 10 -1.122 13.811 -11.762 94 HG3 LYS 10 1HG LYS 10 -1.951 12.822 -10.553 95 HD2 LYS 10 2HD LYS 10 -2.306 15.055 -9.892 96 HD3 LYS 10 1HD LYS 10 -1.036 14.447 -8.827 97 HE2 LYS 10 2HE LYS 10 0.643 15.616 -9.996 98 HE3 LYS 10 1HE LYS 10 -0.425 15.942 -11.360 99 HZ1 LYS 10 3HZ LYS 10 -1.383 17.678 -10.309 100 HZ2 LYS 10 1HZ LYS 10 0.088 17.721 -9.472 101 HZ3 LYS 10 2HZ LYS 10 -1.268 16.985 -8.776 102 H GLN 11 H GLN 11 0.371 9.825 -12.954 103 HA GLN 11 HA GLN 11 2.009 9.105 -14.354 104 HB2 GLN 11 2HB GLN 11 2.293 11.961 -14.022 105 HB3 GLN 11 1HB GLN 11 3.844 11.215 -14.403 106 HG2 GLN 11 2HG GLN 11 1.782 10.151 -16.095 107 HG3 GLN 11 1HG GLN 11 1.787 11.912 -16.166 108 HE21 GLN 11 1HE2 GLN 11 3.727 9.028 -16.618 109 HE22 GLN 11 2HE2 GLN 11 4.898 9.744 -17.653 110 H ALA 12 H ALA 12 2.392 8.874 -11.331 111 HA ALA 12 HA ALA 12 5.233 8.131 -11.469 112 HB1 ALA 12 1HB ALA 12 3.982 10.046 -9.659 113 HB2 ALA 12 2HB ALA 12 5.688 9.785 -10.038 114 HB3 ALA 12 3HB ALA 12 4.888 8.787 -8.824 115 H LYS 13 H LYS 13 5.321 6.001 -11.284 116 HA LYS 13 HA LYS 13 3.325 4.639 -9.613 117 HB2 LYS 13 2HB LYS 13 4.011 2.574 -10.845 118 HB3 LYS 13 1HB LYS 13 3.435 3.835 -11.937 119 HG2 LYS 13 2HG LYS 13 5.692 4.398 -12.545 120 HG3 LYS 13 1HG LYS 13 6.335 3.256 -11.366 121 HD2 LYS 13 2HD LYS 13 4.419 2.122 -13.287 122 HD3 LYS 13 1HD LYS 13 5.936 2.690 -13.989 123 HE2 LYS 13 2HE LYS 13 7.197 1.148 -12.851 124 HE3 LYS 13 1HE LYS 13 6.046 1.029 -11.524 125 HZ1 LYS 13 3HZ LYS 13 5.408 0.015 -14.228 126 HZ2 LYS 13 1HZ LYS 13 4.666 -0.372 -12.756 127 HZ3 LYS 13 2HZ LYS 13 6.223 -0.939 -13.093 128 H GLU 14 H GLU 14 3.879 3.775 -7.750 129 HA GLU 14 HA GLU 14 6.743 3.431 -7.150 130 HB2 GLU 14 2HB GLU 14 5.069 5.098 -5.848 131 HB3 GLU 14 1HB GLU 14 4.799 3.624 -4.918 132 HG2 GLU 14 2HG GLU 14 6.498 4.812 -3.806 133 HG3 GLU 14 1HG GLU 14 7.293 3.476 -4.639 134 H GLU 15 H GLU 15 7.418 1.546 -6.145 135 HA GLU 15 HA GLU 15 5.438 -0.629 -6.173 136 HB2 GLU 15 2HB GLU 15 8.431 -0.961 -6.267 137 HB3 GLU 15 1HB GLU 15 7.196 -2.147 -6.670 138 HG2 GLU 15 2HG GLU 15 6.527 -0.443 -8.508 139 HG3 GLU 15 1HG GLU 15 8.147 0.202 -8.244 140 H ALA 16 H ALA 16 5.713 -2.349 -4.601 141 HA ALA 16 HA ALA 16 7.298 -2.012 -2.273 142 HB1 ALA 16 1HB ALA 16 4.479 -1.932 -1.414 143 HB2 ALA 16 2HB ALA 16 5.018 -0.455 -2.217 144 HB3 ALA 16 3HB ALA 16 5.867 -1.041 -0.784 145 H ILE 17 H ILE 17 7.345 -3.888 -1.094 146 HA ILE 17 HA ILE 17 5.412 -5.988 -1.728 147 HB ILE 17 HB ILE 17 7.446 -7.596 -1.752 148 HG12 ILE 17 2HG1 ILE 17 8.725 -5.032 -2.732 149 HG13 ILE 17 1HG1 ILE 17 9.138 -5.881 -1.245 150 HG21 ILE 17 1HG2 ILE 17 6.189 -6.016 -3.892 151 HG22 ILE 17 2HG2 ILE 17 6.323 -7.764 -3.697 152 HG23 ILE 17 3HG2 ILE 17 7.683 -6.842 -4.338 153 HD11 ILE 17 3HD1 ILE 17 9.821 -7.828 -2.614 154 HD12 ILE 17 1HD1 ILE 17 10.778 -6.377 -2.910 155 HD13 ILE 17 2HD1 ILE 17 9.532 -6.861 -4.060 156 H LYS 18 H LYS 18 5.027 -7.415 -0.110 157 HA LYS 18 HA LYS 18 6.719 -7.314 2.265 158 HB2 LYS 18 2HB LYS 18 3.735 -7.070 2.554 159 HB3 LYS 18 1HB LYS 18 4.985 -6.722 3.746 160 HG2 LYS 18 2HG LYS 18 4.656 -5.150 1.223 161 HG3 LYS 18 1HG LYS 18 3.832 -4.728 2.716 162 HD2 LYS 18 2HD LYS 18 5.775 -4.047 3.742 163 HD3 LYS 18 1HD LYS 18 6.783 -5.145 2.799 164 HE2 LYS 18 2HE LYS 18 5.853 -3.517 0.851 165 HE3 LYS 18 1HE LYS 18 5.907 -2.398 2.212 166 HZ1 LYS 18 3HZ LYS 18 8.083 -3.679 0.778 167 HZ2 LYS 18 1HZ LYS 18 8.272 -3.580 2.457 168 HZ3 LYS 18 2HZ LYS 18 8.030 -2.174 1.549 169 H GLU 19 H GLU 19 7.329 -9.377 2.373 170 HA GLU 19 HA GLU 19 5.595 -11.541 1.631 171 HB2 GLU 19 2HB GLU 19 8.394 -11.162 2.085 172 HB3 GLU 19 1HB GLU 19 7.844 -12.498 3.083 173 HG2 GLU 19 2HG GLU 19 7.345 -13.812 1.295 174 HG3 GLU 19 1HG GLU 19 6.987 -12.444 0.245 175 H ALA 20 H ALA 20 4.153 -12.498 2.897 176 HA ALA 20 HA ALA 20 4.638 -13.138 5.620 177 HB1 ALA 20 1HB ALA 20 4.123 -11.092 6.433 178 HB2 ALA 20 2HB ALA 20 2.474 -11.694 6.260 179 HB3 ALA 20 3HB ALA 20 3.166 -10.649 5.020 180 H VAL 21 H VAL 21 2.802 -14.240 6.625 181 HA VAL 21 HA VAL 21 1.371 -15.807 4.660 182 HB VAL 21 HB VAL 21 2.387 -16.883 6.635 183 HG11 VAL 21 1HG1 VAL 21 2.029 -15.124 8.272 184 HG12 VAL 21 2HG1 VAL 21 1.327 -16.640 8.835 185 HG13 VAL 21 3HG1 VAL 21 0.284 -15.369 8.187 186 HG21 VAL 21 3HG2 VAL 21 0.682 -18.135 5.626 187 HG22 VAL 21 1HG2 VAL 21 -0.585 -17.083 6.252 188 HG23 VAL 21 2HG2 VAL 21 0.296 -18.156 7.345 189 H ASP 22 H ASP 22 0.696 -13.236 6.902 190 HA ASP 22 HA ASP 22 -2.170 -13.536 6.677 191 HB2 ASP 22 2HB ASP 22 -0.679 -11.233 7.937 192 HB3 ASP 22 1HB ASP 22 -2.323 -11.771 8.270 193 H ALA 23 H ALA 23 -2.438 -10.532 6.750 194 HA ALA 23 HA ALA 23 -1.632 -9.706 4.093 195 HB1 ALA 23 1HB ALA 23 -3.769 -11.016 3.821 196 HB2 ALA 23 2HB ALA 23 -3.804 -9.363 3.205 197 HB3 ALA 23 3HB ALA 23 -4.571 -9.746 4.747 198 H GLY 24 H GLY 24 -3.606 -8.976 6.952 199 HA2 GLY 24 2HA GLY 24 -3.853 -6.236 6.663 200 HA3 GLY 24 1HA GLY 24 -3.782 -7.063 8.208 201 H ILE 25 H ILE 25 -1.053 -8.094 7.469 202 HA ILE 25 HA ILE 25 0.441 -6.020 8.711 203 HB ILE 25 HB ILE 25 1.255 -8.627 7.428 204 HG12 ILE 25 2HG1 ILE 25 0.096 -8.880 9.533 205 HG13 ILE 25 1HG1 ILE 25 1.806 -9.210 9.793 206 HG21 ILE 25 1HG2 ILE 25 2.953 -6.401 8.430 207 HG22 ILE 25 2HG2 ILE 25 3.234 -7.531 7.105 208 HG23 ILE 25 3HG2 ILE 25 3.456 -8.055 8.774 209 HD11 ILE 25 3HD1 ILE 25 0.164 -6.901 10.704 210 HD12 ILE 25 1HD1 ILE 25 1.903 -6.706 10.480 211 HD13 ILE 25 2HD1 ILE 25 1.289 -7.913 11.609 212 H ALA 26 H ALA 26 0.242 -7.245 5.377 213 HA ALA 26 HA ALA 26 2.287 -5.595 4.371 214 HB1 ALA 26 1HB ALA 26 1.475 -6.115 2.162 215 HB2 ALA 26 2HB ALA 26 -0.029 -6.750 2.841 216 HB3 ALA 26 3HB ALA 26 1.501 -7.570 3.163 217 H GLU 27 H GLU 27 -1.260 -5.179 4.394 218 HA GLU 27 HA GLU 27 -1.344 -2.775 2.997 219 HB2 GLU 27 2HB GLU 27 -3.444 -2.256 4.194 220 HB3 GLU 27 1HB GLU 27 -3.425 -3.893 3.558 221 HG2 GLU 27 2HG GLU 27 -2.671 -4.614 5.855 222 HG3 GLU 27 1HG GLU 27 -3.085 -2.991 6.396 223 H LYS 28 H LYS 28 -0.553 -3.442 6.339 224 HA LYS 28 HA LYS 28 -0.559 -0.815 7.327 225 HB2 LYS 28 2HB LYS 28 1.181 -3.152 8.140 226 HB3 LYS 28 1HB LYS 28 0.978 -1.672 9.067 227 HG2 LYS 28 2HG LYS 28 -1.539 -2.979 8.376 228 HG3 LYS 28 1HG LYS 28 -0.475 -3.959 9.387 229 HD2 LYS 28 2HD LYS 28 -0.795 -2.652 11.182 230 HD3 LYS 28 1HD LYS 28 -0.653 -1.168 10.239 231 HE2 LYS 28 2HE LYS 28 -2.846 -0.905 10.513 232 HE3 LYS 28 1HE LYS 28 -3.064 -2.272 9.422 233 HZ1 LYS 28 3HZ LYS 28 -2.856 -2.423 12.381 234 HZ2 LYS 28 1HZ LYS 28 -3.029 -3.750 11.346 235 HZ3 LYS 28 2HZ LYS 28 -4.271 -2.610 11.474 236 H TYR 29 H TYR 29 1.926 -2.701 5.662 237 HA TYR 29 HA TYR 29 3.908 -0.614 5.845 238 HB2 TYR 29 2HB TYR 29 3.762 -3.343 4.732 239 HB3 TYR 29 1HB TYR 29 4.795 -2.224 3.839 240 HD1 TYR 29 1HD TYR 29 5.825 -0.476 5.844 241 HD2 TYR 29 2HD TYR 29 5.322 -4.694 5.999 242 HE1 TYR 29 1HE TYR 29 7.605 -0.599 7.481 243 HE2 TYR 29 2HE TYR 29 7.131 -4.846 7.655 244 HH TYR 29 HH TYR 29 8.125 -2.851 9.485 245 H PHE 30 H PHE 30 1.722 -1.873 3.511 246 HA PHE 30 HA PHE 30 2.573 -0.450 1.271 247 HB2 PHE 30 2HB PHE 30 -0.108 -1.593 2.102 248 HB3 PHE 30 1HB PHE 30 0.169 -0.907 0.501 249 HD1 PHE 30 2HD PHE 30 3.205 -2.214 0.820 250 HD2 PHE 30 1HD PHE 30 -0.763 -3.596 0.856 251 HE1 PHE 30 2HE PHE 30 3.976 -4.350 -0.078 252 HE2 PHE 30 1HE PHE 30 -0.033 -5.773 -0.028 253 HZ PHE 30 HZ PHE 30 2.358 -6.138 -0.494 254 H LYS 31 H LYS 31 0.345 0.200 3.891 255 HA LYS 31 HA LYS 31 -0.292 2.846 2.923 256 HB2 LYS 31 2HB LYS 31 -1.761 3.034 4.760 257 HB3 LYS 31 1HB LYS 31 -1.900 1.357 4.249 258 HG2 LYS 31 2HG LYS 31 -0.387 0.693 6.079 259 HG3 LYS 31 1HG LYS 31 -0.270 2.381 6.578 260 HD2 LYS 31 2HD LYS 31 -1.881 1.133 7.945 261 HD3 LYS 31 1HD LYS 31 -2.654 2.437 7.043 262 HE2 LYS 31 2HE LYS 31 -3.900 1.019 5.819 263 HE3 LYS 31 1HE LYS 31 -2.589 -0.147 5.653 264 HZ1 LYS 31 3HZ LYS 31 -3.234 -1.271 7.486 265 HZ2 LYS 31 1HZ LYS 31 -4.745 -0.610 7.104 266 HZ3 LYS 31 2HZ LYS 31 -3.784 0.107 8.298 267 H LEU 32 H LEU 32 2.076 1.256 4.872 268 HA LEU 32 HA LEU 32 2.811 3.426 6.533 269 HB2 LEU 32 2HB LEU 32 3.590 1.094 6.887 270 HB3 LEU 32 1HB LEU 32 4.672 1.275 5.515 271 HG LEU 32 HG LEU 32 5.892 3.032 6.660 272 HD11 LEU 32 1HD1 LEU 32 5.183 3.146 9.232 273 HD12 LEU 32 2HD1 LEU 32 3.602 2.869 8.520 274 HD13 LEU 32 3HD1 LEU 32 4.557 4.258 8.014 275 HD21 LEU 32 3HD2 LEU 32 5.539 0.360 7.844 276 HD22 LEU 32 1HD2 LEU 32 6.359 1.546 8.857 277 HD23 LEU 32 2HD2 LEU 32 6.993 1.163 7.256 278 H ILE 33 H ILE 33 3.982 2.448 3.315 279 HA ILE 33 HA ILE 33 5.560 4.881 3.154 280 HB ILE 33 HB ILE 33 6.555 2.822 2.271 281 HG12 ILE 33 2HG1 ILE 33 7.476 3.777 0.325 282 HG13 ILE 33 1HG1 ILE 33 5.971 4.587 -0.098 283 HG21 ILE 33 1HG2 ILE 33 5.571 1.428 0.807 284 HG22 ILE 33 2HG2 ILE 33 4.854 2.744 -0.123 285 HG23 ILE 33 3HG2 ILE 33 4.085 2.195 1.364 286 HD11 ILE 33 3HD1 ILE 33 6.362 6.341 1.310 287 HD12 ILE 33 1HD1 ILE 33 8.020 5.904 0.894 288 HD13 ILE 33 2HD1 ILE 33 7.326 5.370 2.425 289 H ALA 34 H ALA 34 2.625 3.463 1.780 290 HA ALA 34 HA ALA 34 2.211 5.362 -0.251 291 HB1 ALA 34 1HB ALA 34 0.907 3.392 -0.328 292 HB2 ALA 34 2HB ALA 34 -0.225 4.700 0.020 293 HB3 ALA 34 3HB ALA 34 0.317 3.634 1.314 294 H ASN 35 H ASN 35 1.740 5.439 3.189 295 HA ASN 35 HA ASN 35 0.201 7.905 3.102 296 HB2 ASN 35 2HB ASN 35 -0.226 6.081 4.801 297 HB3 ASN 35 1HB ASN 35 1.323 6.492 5.530 298 HD21 ASN 35 1HD2 ASN 35 1.589 8.684 6.317 299 HD22 ASN 35 2HD2 ASN 35 0.215 9.531 6.929 300 H ALA 36 H ALA 36 3.449 6.769 3.694 301 HA ALA 36 HA ALA 36 4.421 9.261 4.741 302 HB1 ALA 36 1HB ALA 36 6.640 8.208 4.505 303 HB2 ALA 36 2HB ALA 36 5.886 6.830 3.719 304 HB3 ALA 36 3HB ALA 36 5.504 7.205 5.399 305 H LYS 37 H LYS 37 4.136 7.758 1.610 306 HA LYS 37 HA LYS 37 5.762 9.817 0.347 307 HB2 LYS 37 2HB LYS 37 4.499 7.290 -0.683 308 HB3 LYS 37 1HB LYS 37 5.016 8.544 -1.795 309 HG2 LYS 37 2HG LYS 37 7.016 7.799 0.210 310 HG3 LYS 37 1HG LYS 37 6.580 6.518 -0.923 311 HD2 LYS 37 2HD LYS 37 7.307 9.297 -1.821 312 HD3 LYS 37 1HD LYS 37 8.513 8.029 -1.592 313 HE2 LYS 37 2HE LYS 37 6.978 6.627 -3.133 314 HE3 LYS 37 1HE LYS 37 6.286 8.183 -3.589 315 HZ1 LYS 37 3HZ LYS 37 7.951 7.859 -5.139 316 HZ2 LYS 37 1HZ LYS 37 9.025 7.182 -4.021 317 HZ3 LYS 37 2HZ LYS 37 8.719 8.844 -3.999 318 H THR 38 H THR 38 2.427 8.623 0.292 319 HA THR 38 HA THR 38 1.521 11.293 -0.487 320 HB THR 38 HB THR 38 0.004 9.158 -1.805 321 HG1 THR 38 1HG THR 38 1.766 8.153 -2.414 322 HG21 THR 38 3HG2 THR 38 1.226 11.750 -2.690 323 HG22 THR 38 1HG2 THR 38 -0.480 11.360 -2.466 324 HG23 THR 38 2HG2 THR 38 0.422 10.639 -3.800 325 H VAL 39 H VAL 39 -1.219 10.541 -0.805 326 HA VAL 39 HA VAL 39 -2.212 8.959 1.284 327 HB VAL 39 HB VAL 39 -1.164 10.667 2.727 328 HG11 VAL 39 1HG1 VAL 39 -2.908 12.834 2.538 329 HG12 VAL 39 2HG1 VAL 39 -2.453 12.463 0.875 330 HG13 VAL 39 3HG1 VAL 39 -1.206 12.791 2.077 331 HG21 VAL 39 3HG2 VAL 39 -3.595 9.510 3.011 332 HG22 VAL 39 1HG2 VAL 39 -4.017 11.213 3.181 333 HG23 VAL 39 2HG2 VAL 39 -2.813 10.493 4.249 334 H GLU 40 H GLU 40 -2.812 9.603 -1.459 335 HA GLU 40 HA GLU 40 -5.652 10.126 -1.149 336 HB2 GLU 40 2HB GLU 40 -4.322 11.623 -3.360 337 HB3 GLU 40 1HB GLU 40 -5.836 11.965 -2.528 338 HG2 GLU 40 2HG GLU 40 -3.183 12.264 -1.158 339 HG3 GLU 40 1HG GLU 40 -3.869 13.545 -2.151 340 H GLY 41 H GLY 41 -6.633 8.521 -2.166 341 HA2 GLY 41 2HA GLY 41 -6.627 7.902 -4.806 342 HA3 GLY 41 1HA GLY 41 -5.245 6.993 -4.200 343 H VAL 42 H VAL 42 -7.538 5.849 -5.395 344 HA VAL 42 HA VAL 42 -9.235 4.795 -3.323 345 HB VAL 42 HB VAL 42 -10.001 3.226 -5.196 346 HG11 VAL 42 1HG1 VAL 42 -11.576 4.745 -5.810 347 HG12 VAL 42 2HG1 VAL 42 -10.396 6.022 -6.098 348 HG13 VAL 42 3HG1 VAL 42 -10.875 5.620 -4.450 349 HG21 VAL 42 3HG2 VAL 42 -8.673 5.158 -7.052 350 HG22 VAL 42 1HG2 VAL 42 -9.311 3.548 -7.380 351 HG23 VAL 42 2HG2 VAL 42 -7.803 3.732 -6.487 352 H TRP 43 H TRP 43 -8.368 3.451 -1.897 353 HA TRP 43 HA TRP 43 -6.167 1.741 -2.496 354 HB2 TRP 43 2HB TRP 43 -7.746 2.608 -0.179 355 HB3 TRP 43 1HB TRP 43 -7.084 0.995 -0.049 356 HD1 TRP 43 HD TRP 43 -6.028 4.670 -0.333 357 HE1 TRP 43 1HE TRP 43 -3.591 4.905 0.436 358 HE3 TRP 43 3HE TRP 43 -4.812 -0.304 0.214 359 HZ2 TRP 43 2HZ TRP 43 -1.460 3.229 1.180 360 HZ3 TRP 43 3HZ TRP 43 -2.537 -0.843 0.956 361 HH2 TRP 43 HH TRP 43 -0.912 0.873 1.420 362 H THR 44 H THR 44 -6.224 -0.316 -3.147 363 HA THR 44 HA THR 44 -8.548 -1.978 -2.586 364 HB THR 44 HB THR 44 -8.639 -2.733 -4.975 365 HG1 THR 44 1HG THR 44 -6.878 -0.546 -5.277 366 HG21 THR 44 3HG2 THR 44 -9.287 0.135 -4.376 367 HG22 THR 44 1HG2 THR 44 -10.369 -1.257 -4.356 368 HG23 THR 44 2HG2 THR 44 -9.728 -0.662 -5.886 369 H TYR 45 H TYR 45 -8.134 -4.219 -2.719 370 HA TYR 45 HA TYR 45 -5.365 -5.010 -3.256 371 HB2 TYR 45 2HB TYR 45 -5.191 -4.792 -0.934 372 HB3 TYR 45 1HB TYR 45 -6.831 -5.380 -0.651 373 HD1 TYR 45 2HD TYR 45 -3.530 -6.540 -1.962 374 HD2 TYR 45 1HD TYR 45 -7.124 -7.558 0.073 375 HE1 TYR 45 2HE TYR 45 -2.636 -8.787 -1.519 376 HE2 TYR 45 1HE TYR 45 -6.240 -9.808 0.522 377 HH TYR 45 HH TYR 45 -2.947 -10.636 -0.035 378 H LYS 46 H LYS 46 -5.098 -7.066 -4.026 379 HA LYS 46 HA LYS 46 -7.579 -8.539 -4.615 380 HB2 LYS 46 2HB LYS 46 -4.965 -8.749 -6.112 381 HB3 LYS 46 1HB LYS 46 -6.538 -9.378 -6.602 382 HG2 LYS 46 2HG LYS 46 -7.283 -7.348 -7.313 383 HG3 LYS 46 1HG LYS 46 -6.287 -6.452 -6.164 384 HD2 LYS 46 2HD LYS 46 -4.976 -6.005 -7.926 385 HD3 LYS 46 1HD LYS 46 -4.410 -7.667 -7.749 386 HE2 LYS 46 2HE LYS 46 -5.059 -7.898 -9.882 387 HE3 LYS 46 1HE LYS 46 -6.684 -8.015 -9.207 388 HZ1 LYS 46 3HZ LYS 46 -7.234 -5.973 -9.949 389 HZ2 LYS 46 1HZ LYS 46 -6.017 -6.273 -11.085 390 HZ3 LYS 46 2HZ LYS 46 -5.687 -5.330 -9.720 391 H ASP 47 H ASP 47 -7.759 -10.641 -4.028 392 HA ASP 47 HA ASP 47 -5.669 -11.707 -2.299 393 HB2 ASP 47 2HB ASP 47 -7.997 -11.742 -1.503 394 HB3 ASP 47 1HB ASP 47 -8.452 -12.751 -2.876 395 H GLU 48 H GLU 48 -7.119 -12.274 -5.407 396 HA GLU 48 HA GLU 48 -6.423 -14.896 -5.911 397 HB2 GLU 48 2HB GLU 48 -6.782 -12.486 -7.626 398 HB3 GLU 48 1HB GLU 48 -6.092 -13.919 -8.353 399 HG2 GLU 48 2HG GLU 48 -8.094 -15.176 -7.440 400 HG3 GLU 48 1HG GLU 48 -8.794 -13.598 -7.098 401 H ILE 49 H ILE 49 -4.399 -12.024 -5.988 402 HA ILE 49 HA ILE 49 -2.060 -13.772 -6.279 403 HB ILE 49 HB ILE 49 -0.947 -12.059 -7.678 404 HG12 ILE 49 2HG1 ILE 49 -2.481 -10.187 -6.961 405 HG13 ILE 49 1HG1 ILE 49 -2.166 -10.272 -8.690 406 HG21 ILE 49 1HG2 ILE 49 -1.646 -13.824 -8.956 407 HG22 ILE 49 2HG2 ILE 49 -2.517 -12.501 -9.728 408 HG23 ILE 49 3HG2 ILE 49 -3.352 -13.556 -8.590 409 HD11 ILE 49 3HD1 ILE 49 -4.346 -10.251 -9.036 410 HD12 ILE 49 1HD1 ILE 49 -4.657 -10.326 -7.302 411 HD13 ILE 49 2HD1 ILE 49 -4.466 -11.814 -8.229 412 H LYS 50 H LYS 50 -3.558 -11.866 -4.212 413 HA LYS 50 HA LYS 50 -2.979 -10.508 -2.476 414 HB2 LYS 50 2HB LYS 50 -0.291 -11.858 -2.690 415 HB3 LYS 50 1HB LYS 50 -1.028 -11.164 -1.252 416 HG2 LYS 50 2HG LYS 50 -2.278 -12.982 -0.850 417 HG3 LYS 50 1HG LYS 50 -2.590 -13.275 -2.561 418 HD2 LYS 50 2HD LYS 50 0.173 -13.722 -2.119 419 HD3 LYS 50 1HD LYS 50 -0.704 -14.549 -0.832 420 HE2 LYS 50 2HE LYS 50 -0.835 -16.201 -2.366 421 HE3 LYS 50 1HE LYS 50 -2.206 -15.256 -2.947 422 HZ1 LYS 50 3HZ LYS 50 -0.948 -15.655 -4.838 423 HZ2 LYS 50 1HZ LYS 50 0.529 -15.403 -4.050 424 HZ3 LYS 50 2HZ LYS 50 -0.482 -14.085 -4.400 425 H THR 51 H THR 51 -3.073 -8.649 -3.969 426 HA THR 51 HA THR 51 -0.532 -7.228 -3.923 427 HB THR 51 HB THR 51 -2.173 -7.565 -6.439 428 HG1 THR 51 1HG THR 51 -0.716 -8.960 -7.021 429 HG21 THR 51 3HG2 THR 51 -1.082 -5.290 -6.096 430 HG22 THR 51 1HG2 THR 51 -0.708 -6.161 -7.583 431 HG23 THR 51 2HG2 THR 51 0.454 -6.142 -6.257 432 H PHE 52 H PHE 52 -0.797 -5.256 -3.173 433 HA PHE 52 HA PHE 52 -3.490 -4.128 -3.032 434 HB2 PHE 52 2HB PHE 52 -1.051 -3.942 -1.447 435 HB3 PHE 52 1HB PHE 52 -1.805 -2.381 -1.697 436 HD1 PHE 52 2HD PHE 52 -2.187 -5.721 -0.234 437 HD2 PHE 52 1HD PHE 52 -3.908 -1.851 -0.676 438 HE1 PHE 52 2HE PHE 52 -3.773 -6.222 1.580 439 HE2 PHE 52 1HE PHE 52 -5.496 -2.346 1.138 440 HZ PHE 52 HZ PHE 52 -5.429 -4.533 2.268 441 H THR 53 H THR 53 -4.042 -2.202 -3.955 442 HA THR 53 HA THR 53 -2.021 -0.728 -5.466 443 HB THR 53 HB THR 53 -4.581 -1.483 -6.839 444 HG1 THR 53 1HG THR 53 -3.839 -3.387 -7.283 445 HG21 THR 53 3HG2 THR 53 -2.512 0.195 -7.559 446 HG22 THR 53 1HG2 THR 53 -3.738 -0.487 -8.627 447 HG23 THR 53 2HG2 THR 53 -2.183 -1.298 -8.438 448 H VAL 54 H VAL 54 -2.399 1.422 -5.712 449 HA VAL 54 HA VAL 54 -4.985 2.449 -4.746 450 HB VAL 54 HB VAL 54 -2.539 2.869 -3.445 451 HG11 VAL 54 1HG1 VAL 54 -2.171 5.299 -3.596 452 HG12 VAL 54 2HG1 VAL 54 -3.384 5.408 -4.870 453 HG13 VAL 54 3HG1 VAL 54 -1.888 4.523 -5.157 454 HG21 VAL 54 3HG2 VAL 54 -5.187 4.318 -3.304 455 HG22 VAL 54 1HG2 VAL 54 -3.903 4.518 -2.112 456 HG23 VAL 54 2HG2 VAL 54 -4.664 2.941 -2.336 457 H THR 55 H THR 55 -5.932 4.044 -5.949 458 HA THR 55 HA THR 55 -4.401 5.062 -8.249 459 HB THR 55 HB THR 55 -7.313 4.671 -8.617 460 HG1 THR 55 1HG THR 55 -7.204 2.519 -8.826 461 HG21 THR 55 3HG2 THR 55 -4.863 4.532 -10.285 462 HG22 THR 55 1HG2 THR 55 -6.388 5.364 -10.579 463 HG23 THR 55 2HG2 THR 55 -6.284 3.615 -10.783 464 H GLU 56 H GLU 56 -4.421 7.202 -8.473 465 HA GLU 56 HA GLU 56 -5.639 8.896 -6.594 466 HB2 GLU 56 2HB GLU 56 -5.067 10.710 -8.317 467 HB3 GLU 56 1HB GLU 56 -3.739 9.771 -7.650 468 HG2 GLU 56 2HG GLU 56 -3.158 8.997 -9.647 469 HG3 GLU 56 1HG GLU 56 -4.819 8.559 -10.045 Start of MODEL 9 1 H1 THR 1 1HT THR 1 2.172 -15.692 2.597 2 H2 THR 1 2HT THR 1 1.420 -14.342 1.859 3 H3 THR 1 3HT THR 1 2.804 -14.121 2.849 4 HA THR 1 HA THR 1 4.019 -15.559 1.255 5 HB THR 1 HB THR 1 3.054 -15.860 -0.921 6 HG1 THR 1 1HG THR 1 0.760 -14.473 -0.006 7 HG21 THR 1 3HG2 THR 1 1.667 -17.543 -0.452 8 HG22 THR 1 1HG2 THR 1 0.595 -16.534 0.515 9 HG23 THR 1 2HG2 THR 1 2.074 -17.181 1.225 10 H THR 2 H THR 2 4.467 -14.404 -1.140 11 HA THR 2 HA THR 2 5.467 -11.824 -0.397 12 HB THR 2 HB THR 2 5.439 -12.807 -3.230 13 HG1 THR 2 1HG THR 2 6.505 -14.516 -2.729 14 HG21 THR 2 3HG2 THR 2 6.564 -10.718 -2.858 15 HG22 THR 2 1HG2 THR 2 7.758 -11.971 -3.196 16 HG23 THR 2 2HG2 THR 2 7.506 -11.420 -1.541 17 H TYR 3 H TYR 3 4.343 -10.013 -0.431 18 HA TYR 3 HA TYR 3 1.982 -9.810 -2.156 19 HB2 TYR 3 2HB TYR 3 2.870 -8.410 0.343 20 HB3 TYR 3 1HB TYR 3 1.691 -7.645 -0.724 21 HD1 TYR 3 2HD TYR 3 1.774 -11.289 -0.314 22 HD2 TYR 3 1HD TYR 3 -0.017 -7.649 0.963 23 HE1 TYR 3 2HE TYR 3 -0.040 -12.563 0.751 24 HE2 TYR 3 1HE TYR 3 -1.837 -8.914 2.033 25 HH TYR 3 HH TYR 3 -1.705 -12.319 2.462 26 H LYS 4 H LYS 4 1.596 -7.894 -3.398 27 HA LYS 4 HA LYS 4 4.021 -6.350 -4.039 28 HB2 LYS 4 2HB LYS 4 2.228 -7.893 -5.835 29 HB3 LYS 4 1HB LYS 4 2.795 -6.334 -6.425 30 HG2 LYS 4 2HG LYS 4 5.010 -7.006 -6.459 31 HG3 LYS 4 1HG LYS 4 4.733 -8.321 -5.315 32 HD2 LYS 4 2HD LYS 4 4.824 -9.569 -7.202 33 HD3 LYS 4 1HD LYS 4 3.121 -9.124 -7.301 34 HE2 LYS 4 2HE LYS 4 3.568 -8.295 -9.319 35 HE3 LYS 4 1HE LYS 4 4.455 -7.008 -8.502 36 HZ1 LYS 4 3HZ LYS 4 5.899 -9.494 -8.928 37 HZ2 LYS 4 1HZ LYS 4 6.435 -7.896 -9.060 38 HZ3 LYS 4 2HZ LYS 4 5.546 -8.592 -10.317 39 H LEU 5 H LEU 5 3.768 -4.190 -4.261 40 HA LEU 5 HA LEU 5 1.022 -3.119 -4.113 41 HB2 LEU 5 2HB LEU 5 2.474 -2.742 -2.028 42 HB3 LEU 5 1HB LEU 5 3.490 -1.750 -3.079 43 HG LEU 5 HG LEU 5 1.787 -0.142 -3.421 44 HD11 LEU 5 1HD1 LEU 5 0.020 -2.297 -2.740 45 HD12 LEU 5 2HD1 LEU 5 -0.324 -0.777 -3.559 46 HD13 LEU 5 3HD1 LEU 5 -0.361 -0.857 -1.798 47 HD21 LEU 5 3HD2 LEU 5 2.090 -0.993 -0.568 48 HD22 LEU 5 1HD2 LEU 5 1.162 0.438 -1.013 49 HD23 LEU 5 2HD2 LEU 5 2.876 0.334 -1.418 50 H ILE 6 H ILE 6 0.499 -1.369 -5.317 51 HA ILE 6 HA ILE 6 2.586 -0.178 -6.955 52 HB ILE 6 HB ILE 6 -0.051 -1.060 -8.148 53 HG12 ILE 6 2HG1 ILE 6 1.398 -2.993 -7.591 54 HG13 ILE 6 1HG1 ILE 6 1.184 -2.791 -9.327 55 HG21 ILE 6 1HG2 ILE 6 1.530 0.957 -8.973 56 HG22 ILE 6 2HG2 ILE 6 0.544 -0.022 -10.058 57 HG23 ILE 6 3HG2 ILE 6 2.256 -0.388 -9.852 58 HD11 ILE 6 3HD1 ILE 6 3.551 -1.536 -8.055 59 HD12 ILE 6 1HD1 ILE 6 3.360 -2.224 -9.667 60 HD13 ILE 6 2HD1 ILE 6 3.537 -3.286 -8.270 61 H LEU 7 H LEU 7 2.491 1.933 -6.544 62 HA LEU 7 HA LEU 7 -0.044 3.085 -5.659 63 HB2 LEU 7 2HB LEU 7 2.691 4.352 -5.644 64 HB3 LEU 7 1HB LEU 7 1.248 4.950 -4.840 65 HG LEU 7 HG LEU 7 1.297 2.807 -3.464 66 HD11 LEU 7 1HD1 LEU 7 3.862 2.097 -3.320 67 HD12 LEU 7 2HD1 LEU 7 3.790 2.525 -5.030 68 HD13 LEU 7 3HD1 LEU 7 2.708 1.292 -4.384 69 HD21 LEU 7 3HD2 LEU 7 2.947 3.710 -1.911 70 HD22 LEU 7 1HD2 LEU 7 1.937 4.992 -2.580 71 HD23 LEU 7 2HD2 LEU 7 3.578 4.759 -3.181 72 H ASN 8 H ASN 8 -1.192 4.466 -6.817 73 HA ASN 8 HA ASN 8 0.039 5.628 -9.231 74 HB2 ASN 8 2HB ASN 8 -2.252 3.837 -9.036 75 HB3 ASN 8 1HB ASN 8 -2.655 5.341 -9.866 76 HD21 ASN 8 1HD2 ASN 8 -0.825 6.017 -11.447 77 HD22 ASN 8 2HD2 ASN 8 -0.286 4.762 -12.505 78 H LEU 9 H LEU 9 0.325 7.638 -8.328 79 HA LEU 9 HA LEU 9 -2.120 9.053 -7.483 80 HB2 LEU 9 2HB LEU 9 -0.851 10.385 -6.035 81 HB3 LEU 9 1HB LEU 9 -0.124 8.792 -5.843 82 HG LEU 9 HG LEU 9 1.009 10.957 -7.623 83 HD11 LEU 9 1HD1 LEU 9 1.577 10.233 -4.766 84 HD12 LEU 9 2HD1 LEU 9 1.193 11.814 -5.444 85 HD13 LEU 9 3HD1 LEU 9 2.753 11.065 -5.783 86 HD21 LEU 9 3HD2 LEU 9 3.069 9.447 -7.255 87 HD22 LEU 9 1HD2 LEU 9 1.838 8.937 -8.409 88 HD23 LEU 9 2HD2 LEU 9 1.890 8.217 -6.801 89 H LYS 10 H LYS 10 -1.107 11.661 -7.689 90 HA LYS 10 HA LYS 10 -1.240 11.990 -10.573 91 HB2 LYS 10 2HB LYS 10 -2.164 13.465 -8.312 92 HB3 LYS 10 1HB LYS 10 -1.106 14.504 -9.249 93 HG2 LYS 10 2HG LYS 10 -2.995 13.015 -10.890 94 HG3 LYS 10 1HG LYS 10 -3.769 14.076 -9.718 95 HD2 LYS 10 2HD LYS 10 -2.805 15.989 -10.613 96 HD3 LYS 10 1HD LYS 10 -1.518 15.081 -11.411 97 HE2 LYS 10 2HE LYS 10 -2.781 15.419 -13.248 98 HE3 LYS 10 1HE LYS 10 -3.669 14.026 -12.640 99 HZ1 LYS 10 3HZ LYS 10 -5.287 15.626 -13.084 100 HZ2 LYS 10 1HZ LYS 10 -4.374 16.889 -12.423 101 HZ3 LYS 10 2HZ LYS 10 -5.076 15.728 -11.411 102 H GLN 11 H GLN 11 1.192 10.935 -9.701 103 HA GLN 11 HA GLN 11 3.004 13.068 -10.528 104 HB2 GLN 11 2HB GLN 11 3.411 11.326 -8.091 105 HB3 GLN 11 1HB GLN 11 4.673 12.327 -8.817 106 HG2 GLN 11 2HG GLN 11 2.245 13.822 -8.262 107 HG3 GLN 11 1HG GLN 11 2.925 13.073 -6.824 108 HE21 GLN 11 1HE2 GLN 11 4.643 13.973 -5.880 109 HE22 GLN 11 2HE2 GLN 11 5.536 15.312 -6.517 110 H ALA 12 H ALA 12 3.446 9.756 -9.313 111 HA ALA 12 HA ALA 12 4.059 8.767 -11.970 112 HB1 ALA 12 1HB ALA 12 6.220 8.422 -9.928 113 HB2 ALA 12 2HB ALA 12 6.161 9.871 -10.931 114 HB3 ALA 12 3HB ALA 12 6.302 8.282 -11.685 115 H LYS 13 H LYS 13 5.343 6.416 -11.259 116 HA LYS 13 HA LYS 13 3.271 5.095 -9.647 117 HB2 LYS 13 2HB LYS 13 3.860 3.025 -10.906 118 HB3 LYS 13 1HB LYS 13 3.344 4.316 -11.986 119 HG2 LYS 13 2HG LYS 13 6.156 4.501 -11.666 120 HG3 LYS 13 1HG LYS 13 5.747 2.821 -12.014 121 HD2 LYS 13 2HD LYS 13 4.848 5.210 -13.629 122 HD3 LYS 13 1HD LYS 13 6.169 4.125 -14.067 123 HE2 LYS 13 2HE LYS 13 3.270 3.352 -13.727 124 HE3 LYS 13 1HE LYS 13 4.115 3.553 -15.259 125 HZ1 LYS 13 3HZ LYS 13 4.666 1.510 -13.185 126 HZ2 LYS 13 1HZ LYS 13 5.637 1.757 -14.552 127 HZ3 LYS 13 2HZ LYS 13 4.030 1.243 -14.726 128 H GLU 14 H GLU 14 3.846 3.624 -8.064 129 HA GLU 14 HA GLU 14 6.709 3.381 -7.447 130 HB2 GLU 14 2HB GLU 14 4.627 4.672 -5.843 131 HB3 GLU 14 1HB GLU 14 5.519 3.438 -4.952 132 HG2 GLU 14 2HG GLU 14 6.828 5.237 -4.517 133 HG3 GLU 14 1HG GLU 14 7.593 4.682 -6.005 134 H GLU 15 H GLU 15 7.241 1.549 -6.079 135 HA GLU 15 HA GLU 15 5.200 -0.576 -6.173 136 HB2 GLU 15 2HB GLU 15 8.147 -1.088 -6.511 137 HB3 GLU 15 1HB GLU 15 6.807 -2.168 -6.866 138 HG2 GLU 15 2HG GLU 15 6.139 -0.365 -8.601 139 HG3 GLU 15 1HG GLU 15 7.809 0.171 -8.423 140 H ALA 16 H ALA 16 5.590 -2.365 -4.649 141 HA ALA 16 HA ALA 16 7.355 -2.042 -2.443 142 HB1 ALA 16 1HB ALA 16 5.121 -0.482 -2.191 143 HB2 ALA 16 2HB ALA 16 6.000 -1.163 -0.817 144 HB3 ALA 16 3HB ALA 16 4.567 -1.983 -1.442 145 H ILE 17 H ILE 17 7.508 -3.937 -1.286 146 HA ILE 17 HA ILE 17 5.574 -6.063 -1.848 147 HB ILE 17 HB ILE 17 7.558 -7.659 -2.018 148 HG12 ILE 17 2HG1 ILE 17 9.214 -5.841 -1.370 149 HG13 ILE 17 1HG1 ILE 17 9.653 -6.826 -2.760 150 HG21 ILE 17 1HG2 ILE 17 5.985 -7.029 -3.855 151 HG22 ILE 17 2HG2 ILE 17 7.596 -7.492 -4.402 152 HG23 ILE 17 3HG2 ILE 17 7.139 -5.790 -4.344 153 HD11 ILE 17 3HD1 ILE 17 8.188 -4.545 -3.651 154 HD12 ILE 17 1HD1 ILE 17 9.850 -5.016 -4.009 155 HD13 ILE 17 2HD1 ILE 17 9.499 -4.028 -2.591 156 H LYS 18 H LYS 18 5.174 -7.396 -0.179 157 HA LYS 18 HA LYS 18 7.032 -7.453 2.067 158 HB2 LYS 18 2HB LYS 18 4.175 -7.194 2.833 159 HB3 LYS 18 1HB LYS 18 5.614 -6.579 3.638 160 HG2 LYS 18 2HG LYS 18 4.738 -5.379 1.072 161 HG3 LYS 18 1HG LYS 18 3.904 -4.949 2.556 162 HD2 LYS 18 2HD LYS 18 6.785 -4.498 1.818 163 HD3 LYS 18 1HD LYS 18 5.570 -3.305 2.263 164 HE2 LYS 18 2HE LYS 18 6.640 -3.387 4.247 165 HE3 LYS 18 1HE LYS 18 5.585 -4.777 4.499 166 HZ1 LYS 18 3HZ LYS 18 8.314 -4.769 4.636 167 HZ2 LYS 18 1HZ LYS 18 7.994 -5.489 3.138 168 HZ3 LYS 18 2HZ LYS 18 7.325 -6.138 4.550 169 H GLU 19 H GLU 19 7.087 -9.373 3.146 170 HA GLU 19 HA GLU 19 5.356 -11.493 2.080 171 HB2 GLU 19 2HB GLU 19 8.096 -11.393 2.274 172 HB3 GLU 19 1HB GLU 19 7.654 -12.310 3.706 173 HG2 GLU 19 2HG GLU 19 6.195 -13.680 2.051 174 HG3 GLU 19 1HG GLU 19 7.248 -12.978 0.824 175 H ALA 20 H ALA 20 3.760 -12.170 3.332 176 HA ALA 20 HA ALA 20 4.055 -12.958 6.006 177 HB1 ALA 20 1HB ALA 20 4.230 -10.596 6.500 178 HB2 ALA 20 2HB ALA 20 2.720 -11.240 7.143 179 HB3 ALA 20 3HB ALA 20 2.711 -10.285 5.660 180 H VAL 21 H VAL 21 2.408 -14.282 6.562 181 HA VAL 21 HA VAL 21 0.445 -14.957 4.646 182 HB VAL 21 HB VAL 21 1.316 -16.579 6.280 183 HG11 VAL 21 1HG1 VAL 21 -0.183 -14.888 8.270 184 HG12 VAL 21 2HG1 VAL 21 1.543 -15.240 8.242 185 HG13 VAL 21 3HG1 VAL 21 0.385 -16.522 8.602 186 HG21 VAL 21 3HG2 VAL 21 -0.960 -16.784 5.173 187 HG22 VAL 21 1HG2 VAL 21 -1.642 -16.275 6.714 188 HG23 VAL 21 2HG2 VAL 21 -0.697 -17.758 6.623 189 H ASP 22 H ASP 22 0.452 -12.823 7.394 190 HA ASP 22 HA ASP 22 -2.421 -12.470 7.361 191 HB2 ASP 22 2HB ASP 22 -0.192 -11.686 9.122 192 HB3 ASP 22 1HB ASP 22 -1.481 -10.492 8.991 193 H ALA 23 H ALA 23 -2.877 -11.609 5.369 194 HA ALA 23 HA ALA 23 -1.627 -9.709 3.894 195 HB1 ALA 23 1HB ALA 23 -3.449 -9.884 2.634 196 HB2 ALA 23 2HB ALA 23 -4.452 -9.141 3.879 197 HB3 ALA 23 3HB ALA 23 -4.160 -10.880 3.904 198 H GLY 24 H GLY 24 -3.441 -9.176 6.838 199 HA2 GLY 24 2HA GLY 24 -3.845 -6.415 6.643 200 HA3 GLY 24 1HA GLY 24 -3.710 -7.310 8.147 201 H ILE 25 H ILE 25 -0.978 -8.234 7.376 202 HA ILE 25 HA ILE 25 0.467 -6.136 8.632 203 HB ILE 25 HB ILE 25 1.383 -8.681 7.293 204 HG12 ILE 25 2HG1 ILE 25 0.232 -9.101 9.357 205 HG13 ILE 25 1HG1 ILE 25 1.954 -9.281 9.672 206 HG21 ILE 25 1HG2 ILE 25 3.515 -8.003 8.766 207 HG22 ILE 25 2HG2 ILE 25 2.960 -6.395 8.299 208 HG23 ILE 25 3HG2 ILE 25 3.349 -7.588 7.059 209 HD11 ILE 25 3HD1 ILE 25 1.943 -6.945 10.560 210 HD12 ILE 25 1HD1 ILE 25 1.004 -8.108 11.496 211 HD13 ILE 25 2HD1 ILE 25 0.185 -6.974 10.423 212 H ALA 26 H ALA 26 0.311 -7.320 5.281 213 HA ALA 26 HA ALA 26 2.297 -5.573 4.306 214 HB1 ALA 26 1HB ALA 26 1.667 -6.198 2.127 215 HB2 ALA 26 2HB ALA 26 0.052 -6.683 2.655 216 HB3 ALA 26 3HB ALA 26 1.459 -7.631 3.138 217 H GLU 27 H GLU 27 -1.256 -5.274 4.429 218 HA GLU 27 HA GLU 27 -1.423 -2.870 3.004 219 HB2 GLU 27 2HB GLU 27 -3.547 -2.439 4.158 220 HB3 GLU 27 1HB GLU 27 -3.461 -4.091 3.569 221 HG2 GLU 27 2HG GLU 27 -2.709 -4.723 5.885 222 HG3 GLU 27 1HG GLU 27 -3.168 -3.099 6.383 223 H LYS 28 H LYS 28 -0.483 -3.554 6.285 224 HA LYS 28 HA LYS 28 -0.612 -0.912 7.288 225 HB2 LYS 28 2HB LYS 28 1.161 -3.208 8.148 226 HB3 LYS 28 1HB LYS 28 0.889 -1.733 9.066 227 HG2 LYS 28 2HG LYS 28 -1.534 -3.200 8.287 228 HG3 LYS 28 1HG LYS 28 -0.479 -4.021 9.438 229 HD2 LYS 28 2HD LYS 28 -0.973 -2.583 11.096 230 HD3 LYS 28 1HD LYS 28 -0.941 -1.183 10.020 231 HE2 LYS 28 2HE LYS 28 -3.185 -2.739 9.297 232 HE3 LYS 28 1HE LYS 28 -3.191 -2.609 11.055 233 HZ1 LYS 28 3HZ LYS 28 -3.010 -0.197 10.823 234 HZ2 LYS 28 1HZ LYS 28 -4.402 -0.788 10.065 235 HZ3 LYS 28 2HZ LYS 28 -3.057 -0.344 9.139 236 H TYR 29 H TYR 29 1.938 -2.766 5.668 237 HA TYR 29 HA TYR 29 3.837 -0.589 5.853 238 HB2 TYR 29 2HB TYR 29 3.867 -3.355 4.757 239 HB3 TYR 29 1HB TYR 29 5.009 -2.182 4.086 240 HD1 TYR 29 2HD TYR 29 5.742 -0.483 6.173 241 HD2 TYR 29 1HD TYR 29 5.110 -4.682 6.365 242 HE1 TYR 29 2HE TYR 29 7.207 -0.583 8.096 243 HE2 TYR 29 1HE TYR 29 6.605 -4.813 8.318 244 HH TYR 29 HH TYR 29 7.502 -3.415 10.054 245 H PHE 30 H PHE 30 1.713 -1.985 3.572 246 HA PHE 30 HA PHE 30 2.601 -0.641 1.277 247 HB2 PHE 30 2HB PHE 30 0.001 -1.941 2.113 248 HB3 PHE 30 1HB PHE 30 0.185 -1.206 0.519 249 HD1 PHE 30 2HD PHE 30 3.313 -2.277 0.777 250 HD2 PHE 30 1HD PHE 30 -0.531 -3.966 0.816 251 HE1 PHE 30 2HE PHE 30 4.237 -4.322 -0.200 252 HE2 PHE 30 1HE PHE 30 0.349 -6.053 -0.145 253 HZ PHE 30 HZ PHE 30 2.755 -6.224 -0.653 254 H LYS 31 H LYS 31 0.447 0.043 3.918 255 HA LYS 31 HA LYS 31 -0.309 2.625 2.825 256 HB2 LYS 31 2HB LYS 31 -1.886 2.788 4.569 257 HB3 LYS 31 1HB LYS 31 -1.934 1.100 4.083 258 HG2 LYS 31 2HG LYS 31 -0.334 0.655 6.006 259 HG3 LYS 31 1HG LYS 31 -0.689 2.297 6.544 260 HD2 LYS 31 2HD LYS 31 -2.772 0.168 6.062 261 HD3 LYS 31 1HD LYS 31 -2.084 0.553 7.642 262 HE2 LYS 31 2HE LYS 31 -3.062 2.674 7.681 263 HE3 LYS 31 1HE LYS 31 -3.352 2.673 5.941 264 HZ1 LYS 31 3HZ LYS 31 -5.432 2.250 6.783 265 HZ2 LYS 31 1HZ LYS 31 -4.859 1.320 8.075 266 HZ3 LYS 31 2HZ LYS 31 -4.877 0.676 6.511 267 H LEU 32 H LEU 32 2.012 1.152 4.920 268 HA LEU 32 HA LEU 32 2.593 3.415 6.548 269 HB2 LEU 32 2HB LEU 32 3.412 0.907 6.717 270 HB3 LEU 32 1HB LEU 32 4.793 1.534 5.832 271 HG LEU 32 HG LEU 32 5.057 3.253 7.629 272 HD11 LEU 32 1HD1 LEU 32 2.555 2.612 8.375 273 HD12 LEU 32 2HD1 LEU 32 3.730 3.371 9.442 274 HD13 LEU 32 3HD1 LEU 32 3.481 1.628 9.507 275 HD21 LEU 32 3HD2 LEU 32 6.034 1.672 9.253 276 HD22 LEU 32 1HD2 LEU 32 6.460 1.284 7.586 277 HD23 LEU 32 2HD2 LEU 32 5.221 0.349 8.421 278 H ILE 33 H ILE 33 3.985 2.262 3.480 279 HA ILE 33 HA ILE 33 5.598 4.659 3.266 280 HB ILE 33 HB ILE 33 6.553 2.547 2.480 281 HG12 ILE 33 2HG1 ILE 33 7.558 3.389 0.538 282 HG13 ILE 33 1HG1 ILE 33 6.082 4.183 0.003 283 HG21 ILE 33 1HG2 ILE 33 4.906 2.406 0.056 284 HG22 ILE 33 2HG2 ILE 33 4.082 1.956 1.549 285 HG23 ILE 33 3HG2 ILE 33 5.556 1.116 1.066 286 HD11 ILE 33 3HD1 ILE 33 7.265 5.158 2.527 287 HD12 ILE 33 1HD1 ILE 33 6.494 6.053 1.216 288 HD13 ILE 33 2HD1 ILE 33 8.159 5.493 1.045 289 H ALA 34 H ALA 34 2.651 3.301 1.869 290 HA ALA 34 HA ALA 34 2.348 5.107 -0.257 291 HB1 ALA 34 1HB ALA 34 0.925 3.238 -0.271 292 HB2 ALA 34 2HB ALA 34 -0.139 4.605 0.067 293 HB3 ALA 34 3HB ALA 34 0.378 3.543 1.375 294 H ASN 35 H ASN 35 1.574 5.312 3.159 295 HA ASN 35 HA ASN 35 0.247 7.856 2.939 296 HB2 ASN 35 2HB ASN 35 -0.098 6.067 4.771 297 HB3 ASN 35 1HB ASN 35 1.383 6.704 5.481 298 HD21 ASN 35 1HD2 ASN 35 -1.443 6.708 6.394 299 HD22 ASN 35 2HD2 ASN 35 -1.802 8.363 6.734 300 H ALA 36 H ALA 36 3.466 6.657 3.541 301 HA ALA 36 HA ALA 36 4.552 9.155 4.429 302 HB1 ALA 36 1HB ALA 36 5.532 6.935 4.998 303 HB2 ALA 36 2HB ALA 36 6.686 8.072 4.309 304 HB3 ALA 36 3HB ALA 36 6.037 6.777 3.315 305 H LYS 37 H LYS 37 4.082 7.538 1.373 306 HA LYS 37 HA LYS 37 5.755 9.369 -0.102 307 HB2 LYS 37 2HB LYS 37 3.800 7.263 -1.054 308 HB3 LYS 37 1HB LYS 37 4.812 8.230 -2.114 309 HG2 LYS 37 2HG LYS 37 6.653 7.214 -0.390 310 HG3 LYS 37 1HG LYS 37 5.481 5.900 -0.489 311 HD2 LYS 37 2HD LYS 37 6.009 5.424 -2.625 312 HD3 LYS 37 1HD LYS 37 6.171 7.125 -3.067 313 HE2 LYS 37 2HE LYS 37 8.366 6.701 -3.170 314 HE3 LYS 37 1HE LYS 37 8.314 6.750 -1.409 315 HZ1 LYS 37 3HZ LYS 37 9.234 4.721 -1.651 316 HZ2 LYS 37 1HZ LYS 37 8.587 4.469 -3.194 317 HZ3 LYS 37 2HZ LYS 37 7.626 4.228 -1.824 318 H THR 38 H THR 38 2.280 8.619 -0.040 319 HA THR 38 HA THR 38 1.712 11.417 -0.762 320 HB THR 38 HB THR 38 -0.266 9.382 -1.592 321 HG1 THR 38 1HG THR 38 1.537 8.272 -2.237 322 HG21 THR 38 3HG2 THR 38 -0.611 10.743 -3.439 323 HG22 THR 38 1HG2 THR 38 0.981 11.488 -3.309 324 HG23 THR 38 2HG2 THR 38 -0.274 11.882 -2.134 325 H VAL 39 H VAL 39 -1.171 11.004 -0.585 326 HA VAL 39 HA VAL 39 -1.851 9.884 1.928 327 HB VAL 39 HB VAL 39 -0.562 11.815 2.756 328 HG11 VAL 39 1HG1 VAL 39 -2.603 13.780 1.987 329 HG12 VAL 39 2HG1 VAL 39 -1.596 13.194 0.664 330 HG13 VAL 39 3HG1 VAL 39 -0.848 13.938 2.077 331 HG21 VAL 39 3HG2 VAL 39 -2.806 10.853 3.767 332 HG22 VAL 39 1HG2 VAL 39 -3.382 12.484 3.419 333 HG23 VAL 39 2HG2 VAL 39 -1.995 12.247 4.482 334 H GLU 40 H GLU 40 -2.992 9.675 -0.593 335 HA GLU 40 HA GLU 40 -5.691 10.063 -0.073 336 HB2 GLU 40 2HB GLU 40 -5.253 12.450 -0.327 337 HB3 GLU 40 1HB GLU 40 -4.538 12.167 -1.912 338 HG2 GLU 40 2HG GLU 40 -6.584 11.716 -2.894 339 HG3 GLU 40 1HG GLU 40 -7.355 11.345 -1.352 340 H GLY 41 H GLY 41 -6.903 8.918 -1.452 341 HA2 GLY 41 2HA GLY 41 -6.915 8.460 -4.073 342 HA3 GLY 41 1HA GLY 41 -5.480 7.545 -3.616 343 H VAL 42 H VAL 42 -7.595 6.331 -4.851 344 HA VAL 42 HA VAL 42 -9.285 5.062 -2.882 345 HB VAL 42 HB VAL 42 -9.203 3.722 -5.476 346 HG11 VAL 42 1HG1 VAL 42 -11.650 4.250 -5.346 347 HG12 VAL 42 2HG1 VAL 42 -11.319 5.078 -3.824 348 HG13 VAL 42 3HG1 VAL 42 -11.006 3.348 -3.974 349 HG21 VAL 42 3HG2 VAL 42 -9.523 6.692 -5.390 350 HG22 VAL 42 1HG2 VAL 42 -10.493 5.744 -6.517 351 HG23 VAL 42 2HG2 VAL 42 -8.733 5.681 -6.600 352 H TRP 43 H TRP 43 -8.584 3.482 -1.634 353 HA TRP 43 HA TRP 43 -6.233 1.967 -2.343 354 HB2 TRP 43 2HB TRP 43 -7.741 2.697 0.050 355 HB3 TRP 43 1HB TRP 43 -7.104 1.068 0.088 356 HD1 TRP 43 HD TRP 43 -5.990 4.737 -0.096 357 HE1 TRP 43 1HE TRP 43 -3.535 4.906 0.628 358 HE3 TRP 43 3HE TRP 43 -4.864 -0.271 0.303 359 HZ2 TRP 43 2HZ TRP 43 -1.423 3.170 1.291 360 HZ3 TRP 43 3HZ TRP 43 -2.588 -0.874 0.990 361 HH2 TRP 43 HH TRP 43 -0.922 0.799 1.463 362 H THR 44 H THR 44 -6.217 -0.089 -3.019 363 HA THR 44 HA THR 44 -8.511 -1.818 -2.542 364 HB THR 44 HB THR 44 -8.649 -2.476 -4.921 365 HG1 THR 44 1HG THR 44 -7.418 -1.572 -6.409 366 HG21 THR 44 3HG2 THR 44 -10.075 -0.842 -5.558 367 HG22 THR 44 1HG2 THR 44 -8.984 0.457 -5.074 368 HG23 THR 44 2HG2 THR 44 -9.918 -0.411 -3.855 369 H TYR 45 H TYR 45 -8.058 -4.071 -2.919 370 HA TYR 45 HA TYR 45 -5.238 -4.744 -3.328 371 HB2 TYR 45 2HB TYR 45 -5.101 -4.848 -1.035 372 HB3 TYR 45 1HB TYR 45 -6.810 -5.237 -0.833 373 HD1 TYR 45 1HD TYR 45 -3.548 -6.673 -1.896 374 HD2 TYR 45 2HD TYR 45 -7.484 -7.456 -0.483 375 HE1 TYR 45 1HE TYR 45 -2.953 -9.035 -1.565 376 HE2 TYR 45 2HE TYR 45 -6.900 -9.821 -0.148 377 HH TYR 45 HH TYR 45 -4.341 -11.291 -1.496 378 H LYS 46 H LYS 46 -4.863 -6.716 -4.264 379 HA LYS 46 HA LYS 46 -7.257 -8.130 -5.222 380 HB2 LYS 46 2HB LYS 46 -4.470 -8.208 -6.389 381 HB3 LYS 46 1HB LYS 46 -5.941 -8.870 -7.106 382 HG2 LYS 46 2HG LYS 46 -6.630 -6.261 -6.771 383 HG3 LYS 46 1HG LYS 46 -4.903 -6.131 -7.111 384 HD2 LYS 46 2HD LYS 46 -5.807 -7.987 -8.957 385 HD3 LYS 46 1HD LYS 46 -7.106 -6.794 -8.886 386 HE2 LYS 46 2HE LYS 46 -5.777 -5.100 -9.679 387 HE3 LYS 46 1HE LYS 46 -4.295 -5.833 -9.068 388 HZ1 LYS 46 3HZ LYS 46 -4.010 -6.341 -11.224 389 HZ2 LYS 46 1HZ LYS 46 -5.656 -6.240 -11.597 390 HZ3 LYS 46 2HZ LYS 46 -5.036 -7.638 -10.876 391 H ASP 47 H ASP 47 -7.531 -10.263 -4.833 392 HA ASP 47 HA ASP 47 -5.621 -11.524 -3.013 393 HB2 ASP 47 2HB ASP 47 -8.006 -11.460 -2.365 394 HB3 ASP 47 1HB ASP 47 -8.409 -12.402 -3.799 395 H GLU 48 H GLU 48 -6.909 -11.796 -6.228 396 HA GLU 48 HA GLU 48 -6.380 -14.413 -6.895 397 HB2 GLU 48 2HB GLU 48 -6.297 -11.858 -8.453 398 HB3 GLU 48 1HB GLU 48 -5.788 -13.352 -9.219 399 HG2 GLU 48 2HG GLU 48 -8.029 -14.303 -8.473 400 HG3 GLU 48 1HG GLU 48 -8.489 -12.639 -8.139 401 H ILE 49 H ILE 49 -4.119 -11.788 -6.431 402 HA ILE 49 HA ILE 49 -1.926 -13.699 -6.615 403 HB ILE 49 HB ILE 49 -0.536 -12.141 -7.921 404 HG12 ILE 49 2HG1 ILE 49 -1.871 -10.097 -7.316 405 HG13 ILE 49 1HG1 ILE 49 -1.460 -10.227 -9.022 406 HG21 ILE 49 1HG2 ILE 49 -1.572 -13.954 -9.088 407 HG22 ILE 49 2HG2 ILE 49 -1.669 -12.515 -10.106 408 HG23 ILE 49 3HG2 ILE 49 -3.092 -13.061 -9.219 409 HD11 ILE 49 3HD1 ILE 49 -3.943 -11.476 -8.754 410 HD12 ILE 49 1HD1 ILE 49 -3.597 -9.907 -9.482 411 HD13 ILE 49 2HD1 ILE 49 -4.030 -10.011 -7.776 412 H LYS 50 H LYS 50 -3.398 -11.932 -4.576 413 HA LYS 50 HA LYS 50 -2.916 -10.607 -2.779 414 HB2 LYS 50 2HB LYS 50 -0.191 -11.883 -2.854 415 HB3 LYS 50 1HB LYS 50 -1.113 -11.369 -1.450 416 HG2 LYS 50 2HG LYS 50 -1.407 -13.624 -1.344 417 HG3 LYS 50 1HG LYS 50 -2.819 -13.167 -2.295 418 HD2 LYS 50 2HD LYS 50 -1.966 -14.029 -4.240 419 HD3 LYS 50 1HD LYS 50 -0.290 -13.812 -3.730 420 HE2 LYS 50 2HE LYS 50 -1.937 -15.728 -2.183 421 HE3 LYS 50 1HE LYS 50 -1.478 -16.195 -3.817 422 HZ1 LYS 50 3HZ LYS 50 0.314 -16.958 -2.676 423 HZ2 LYS 50 1HZ LYS 50 0.197 -15.787 -1.457 424 HZ3 LYS 50 2HZ LYS 50 0.860 -15.383 -2.960 425 H THR 51 H THR 51 -2.922 -8.700 -4.215 426 HA THR 51 HA THR 51 -0.380 -7.294 -3.985 427 HB THR 51 HB THR 51 -1.917 -7.493 -6.581 428 HG1 THR 51 1HG THR 51 -0.558 -9.293 -6.064 429 HG21 THR 51 3HG2 THR 51 0.759 -6.260 -6.501 430 HG22 THR 51 1HG2 THR 51 -0.576 -5.298 -5.872 431 HG23 THR 51 2HG2 THR 51 -0.630 -5.905 -7.527 432 H PHE 52 H PHE 52 -0.644 -5.317 -3.231 433 HA PHE 52 HA PHE 52 -3.346 -4.229 -3.072 434 HB2 PHE 52 2HB PHE 52 -0.909 -4.030 -1.484 435 HB3 PHE 52 1HB PHE 52 -1.700 -2.481 -1.700 436 HD1 PHE 52 1HD PHE 52 -2.096 -5.909 -0.410 437 HD2 PHE 52 2HD PHE 52 -3.724 -1.980 -0.580 438 HE1 PHE 52 1HE PHE 52 -3.680 -6.491 1.382 439 HE2 PHE 52 2HE PHE 52 -5.313 -2.556 1.211 440 HZ PHE 52 HZ PHE 52 -5.291 -4.813 2.194 441 H THR 53 H THR 53 -3.936 -2.290 -3.921 442 HA THR 53 HA THR 53 -1.966 -0.736 -5.419 443 HB THR 53 HB THR 53 -4.502 -1.790 -6.680 444 HG1 THR 53 1HG THR 53 -2.925 -3.393 -6.551 445 HG21 THR 53 3HG2 THR 53 -3.572 0.498 -7.420 446 HG22 THR 53 1HG2 THR 53 -3.958 -0.713 -8.644 447 HG23 THR 53 2HG2 THR 53 -2.282 -0.452 -8.158 448 H VAL 54 H VAL 54 -2.411 1.412 -5.623 449 HA VAL 54 HA VAL 54 -4.979 2.335 -4.513 450 HB VAL 54 HB VAL 54 -2.529 2.756 -3.278 451 HG11 VAL 54 1HG1 VAL 54 -2.094 5.169 -3.428 452 HG12 VAL 54 2HG1 VAL 54 -3.341 5.328 -4.664 453 HG13 VAL 54 3HG1 VAL 54 -1.879 4.405 -5.007 454 HG21 VAL 54 3HG2 VAL 54 -4.580 2.872 -2.096 455 HG22 VAL 54 1HG2 VAL 54 -5.171 4.197 -3.098 456 HG23 VAL 54 2HG2 VAL 54 -3.857 4.476 -1.955 457 H THR 55 H THR 55 -6.133 3.538 -5.860 458 HA THR 55 HA THR 55 -4.783 4.678 -8.206 459 HB THR 55 HB THR 55 -7.753 4.284 -7.892 460 HG1 THR 55 1HG THR 55 -5.895 2.451 -8.997 461 HG21 THR 55 3HG2 THR 55 -5.954 4.989 -10.115 462 HG22 THR 55 1HG2 THR 55 -7.635 5.433 -9.821 463 HG23 THR 55 2HG2 THR 55 -7.246 3.843 -10.476 464 H GLU 56 H GLU 56 -5.076 6.814 -8.803 465 HA GLU 56 HA GLU 56 -6.619 8.513 -6.972 466 HB2 GLU 56 2HB GLU 56 -4.005 8.408 -6.625 467 HB3 GLU 56 1HB GLU 56 -3.996 9.506 -7.998 468 HG2 GLU 56 2HG GLU 56 -5.940 10.344 -6.055 469 HG3 GLU 56 1HG GLU 56 -4.357 10.141 -5.304 Start of MODEL 10 1 H1 THR 1 1HT THR 1 4.723 -15.516 2.631 2 H2 THR 1 2HT THR 1 3.237 -16.371 2.732 3 H3 THR 1 3HT THR 1 3.298 -14.699 3.120 4 HA THR 1 HA THR 1 3.901 -15.825 0.474 5 HB THR 1 HB THR 1 1.420 -14.313 1.233 6 HG1 THR 1 1HG THR 1 0.403 -16.361 1.455 7 HG21 THR 1 3HG2 THR 1 1.944 -14.606 -1.159 8 HG22 THR 1 1HG2 THR 1 0.438 -15.387 -0.672 9 HG23 THR 1 2HG2 THR 1 1.887 -16.356 -0.922 10 H THR 2 H THR 2 4.431 -14.313 -1.062 11 HA THR 2 HA THR 2 5.305 -11.743 -0.047 12 HB THR 2 HB THR 2 5.565 -12.809 -2.861 13 HG1 THR 2 1HG THR 2 7.634 -13.510 -2.152 14 HG21 THR 2 3HG2 THR 2 6.499 -10.834 -3.239 15 HG22 THR 2 1HG2 THR 2 7.826 -11.377 -2.212 16 HG23 THR 2 2HG2 THR 2 6.511 -10.423 -1.525 17 H TYR 3 H TYR 3 4.321 -9.852 -0.372 18 HA TYR 3 HA TYR 3 1.909 -9.828 -2.052 19 HB2 TYR 3 2HB TYR 3 2.741 -8.316 0.395 20 HB3 TYR 3 1HB TYR 3 1.579 -7.591 -0.716 21 HD1 TYR 3 2HD TYR 3 1.706 -11.218 -0.131 22 HD2 TYR 3 1HD TYR 3 -0.200 -7.553 0.881 23 HE1 TYR 3 2HE TYR 3 -0.119 -12.469 0.941 24 HE2 TYR 3 1HE TYR 3 -2.031 -8.797 1.957 25 HH TYR 3 HH TYR 3 -1.844 -12.015 2.764 26 H LYS 4 H LYS 4 1.448 -7.884 -3.298 27 HA LYS 4 HA LYS 4 3.864 -6.383 -4.059 28 HB2 LYS 4 2HB LYS 4 2.335 -8.196 -5.680 29 HB3 LYS 4 1HB LYS 4 2.206 -6.570 -6.343 30 HG2 LYS 4 2HG LYS 4 4.513 -6.401 -6.685 31 HG3 LYS 4 1HG LYS 4 4.859 -7.762 -5.615 32 HD2 LYS 4 2HD LYS 4 5.128 -8.390 -7.962 33 HD3 LYS 4 1HD LYS 4 3.808 -9.287 -7.210 34 HE2 LYS 4 2HE LYS 4 3.019 -8.608 -9.333 35 HE3 LYS 4 1HE LYS 4 2.246 -7.546 -8.157 36 HZ1 LYS 4 3HZ LYS 4 2.962 -5.964 -9.564 37 HZ2 LYS 4 1HZ LYS 4 4.192 -6.924 -10.219 38 HZ3 LYS 4 2HZ LYS 4 4.428 -6.139 -8.739 39 H LEU 5 H LEU 5 3.625 -4.231 -4.279 40 HA LEU 5 HA LEU 5 0.891 -3.133 -4.114 41 HB2 LEU 5 2HB LEU 5 2.365 -2.741 -2.050 42 HB3 LEU 5 1HB LEU 5 3.391 -1.784 -3.126 43 HG LEU 5 HG LEU 5 1.717 -0.150 -3.474 44 HD11 LEU 5 1HD1 LEU 5 -0.088 -2.257 -2.791 45 HD12 LEU 5 2HD1 LEU 5 -0.411 -0.718 -3.581 46 HD13 LEU 5 3HD1 LEU 5 -0.432 -0.828 -1.822 47 HD21 LEU 5 3HD2 LEU 5 1.010 0.217 -0.914 48 HD22 LEU 5 1HD2 LEU 5 2.617 0.576 -1.544 49 HD23 LEU 5 2HD2 LEU 5 2.321 -0.944 -0.705 50 H ILE 6 H ILE 6 0.372 -1.395 -5.330 51 HA ILE 6 HA ILE 6 2.450 -0.257 -7.019 52 HB ILE 6 HB ILE 6 -0.243 -1.050 -8.144 53 HG12 ILE 6 2HG1 ILE 6 1.114 -3.045 -7.585 54 HG13 ILE 6 1HG1 ILE 6 0.890 -2.854 -9.321 55 HG21 ILE 6 1HG2 ILE 6 2.089 0.443 -9.147 56 HG22 ILE 6 2HG2 ILE 6 0.385 0.562 -9.589 57 HG23 ILE 6 3HG2 ILE 6 1.382 -0.725 -10.265 58 HD11 ILE 6 3HD1 ILE 6 3.302 -3.096 -7.858 59 HD12 ILE 6 1HD1 ILE 6 3.269 -1.501 -8.610 60 HD13 ILE 6 2HD1 ILE 6 3.076 -2.949 -9.601 61 H LEU 7 H LEU 7 2.425 1.857 -6.616 62 HA LEU 7 HA LEU 7 -0.073 3.087 -5.717 63 HB2 LEU 7 2HB LEU 7 2.700 4.265 -5.624 64 HB3 LEU 7 1HB LEU 7 1.265 4.856 -4.796 65 HG LEU 7 HG LEU 7 1.272 2.614 -3.550 66 HD11 LEU 7 1HD1 LEU 7 3.727 2.408 -5.142 67 HD12 LEU 7 2HD1 LEU 7 2.734 1.148 -4.415 68 HD13 LEU 7 3HD1 LEU 7 3.913 2.016 -3.433 69 HD21 LEU 7 3HD2 LEU 7 1.856 4.744 -2.514 70 HD22 LEU 7 1HD2 LEU 7 3.512 4.583 -3.100 71 HD23 LEU 7 2HD2 LEU 7 2.883 3.443 -1.910 72 H ASN 8 H ASN 8 -1.119 4.590 -6.841 73 HA ASN 8 HA ASN 8 0.235 5.785 -9.166 74 HB2 ASN 8 2HB ASN 8 -2.046 3.976 -9.192 75 HB3 ASN 8 1HB ASN 8 -2.412 5.511 -9.981 76 HD21 ASN 8 1HD2 ASN 8 -2.225 5.258 -12.079 77 HD22 ASN 8 2HD2 ASN 8 -0.941 4.446 -12.893 78 H LEU 9 H LEU 9 0.433 7.804 -8.338 79 HA LEU 9 HA LEU 9 -2.072 9.197 -7.650 80 HB2 LEU 9 2HB LEU 9 -1.060 10.312 -5.888 81 HB3 LEU 9 1HB LEU 9 -0.310 8.725 -5.773 82 HG LEU 9 HG LEU 9 1.435 10.089 -7.422 83 HD11 LEU 9 1HD1 LEU 9 0.334 12.217 -6.997 84 HD12 LEU 9 2HD1 LEU 9 1.944 12.183 -6.283 85 HD13 LEU 9 3HD1 LEU 9 0.527 11.984 -5.258 86 HD21 LEU 9 3HD2 LEU 9 1.934 10.210 -4.510 87 HD22 LEU 9 1HD2 LEU 9 2.945 9.586 -5.814 88 HD23 LEU 9 2HD2 LEU 9 1.601 8.622 -5.201 89 H LYS 10 H LYS 10 -1.705 11.678 -7.846 90 HA LYS 10 HA LYS 10 -1.125 12.211 -10.557 91 HB2 LYS 10 2HB LYS 10 -2.187 13.664 -8.275 92 HB3 LYS 10 1HB LYS 10 -1.174 14.680 -9.288 93 HG2 LYS 10 2HG LYS 10 -3.351 12.987 -10.458 94 HG3 LYS 10 1HG LYS 10 -3.673 14.590 -9.795 95 HD2 LYS 10 2HD LYS 10 -1.925 15.496 -11.320 96 HD3 LYS 10 1HD LYS 10 -1.800 13.896 -12.054 97 HE2 LYS 10 2HE LYS 10 -4.451 14.249 -12.220 98 HE3 LYS 10 1HE LYS 10 -3.935 15.934 -12.276 99 HZ1 LYS 10 3HZ LYS 10 -4.101 14.415 -14.430 100 HZ2 LYS 10 1HZ LYS 10 -2.503 14.068 -13.999 101 HZ3 LYS 10 2HZ LYS 10 -2.975 15.666 -14.287 102 H GLN 11 H GLN 11 1.108 11.288 -10.458 103 HA GLN 11 HA GLN 11 3.028 13.316 -10.664 104 HB2 GLN 11 2HB GLN 11 2.728 12.108 -8.017 105 HB3 GLN 11 1HB GLN 11 4.373 12.031 -8.635 106 HG2 GLN 11 2HG GLN 11 3.847 14.585 -9.183 107 HG3 GLN 11 1HG GLN 11 2.758 14.368 -7.820 108 HE21 GLN 11 1HE2 GLN 11 3.564 14.455 -5.830 109 HE22 GLN 11 2HE2 GLN 11 5.245 14.509 -5.433 110 H ALA 12 H ALA 12 3.445 10.089 -9.251 111 HA ALA 12 HA ALA 12 4.261 8.973 -11.796 112 HB1 ALA 12 1HB ALA 12 6.387 9.699 -11.386 113 HB2 ALA 12 2HB ALA 12 6.434 8.156 -10.538 114 HB3 ALA 12 3HB ALA 12 6.188 9.652 -9.635 115 H LYS 13 H LYS 13 5.302 6.640 -11.176 116 HA LYS 13 HA LYS 13 3.291 5.400 -9.428 117 HB2 LYS 13 2HB LYS 13 3.688 3.324 -10.735 118 HB3 LYS 13 1HB LYS 13 3.209 4.652 -11.786 119 HG2 LYS 13 2HG LYS 13 5.915 4.876 -11.827 120 HG3 LYS 13 1HG LYS 13 5.707 3.132 -11.667 121 HD2 LYS 13 2HD LYS 13 5.014 2.935 -13.785 122 HD3 LYS 13 1HD LYS 13 3.879 4.275 -13.616 123 HE2 LYS 13 2HE LYS 13 6.801 4.838 -13.862 124 HE3 LYS 13 1HE LYS 13 5.867 4.434 -15.300 125 HZ1 LYS 13 3HZ LYS 13 4.296 6.254 -14.543 126 HZ2 LYS 13 1HZ LYS 13 5.794 6.750 -15.150 127 HZ3 LYS 13 2HZ LYS 13 5.516 6.737 -13.476 128 H GLU 14 H GLU 14 3.925 3.664 -8.055 129 HA GLU 14 HA GLU 14 6.790 3.351 -7.562 130 HB2 GLU 14 2HB GLU 14 5.370 5.097 -6.027 131 HB3 GLU 14 1HB GLU 14 5.179 3.608 -5.104 132 HG2 GLU 14 2HG GLU 14 7.771 3.439 -5.439 133 HG3 GLU 14 1HG GLU 14 7.637 5.178 -5.691 134 H GLU 15 H GLU 15 7.307 1.470 -6.254 135 HA GLU 15 HA GLU 15 5.155 -0.546 -6.281 136 HB2 GLU 15 2HB GLU 15 8.069 -1.200 -6.670 137 HB3 GLU 15 1HB GLU 15 6.669 -2.208 -7.013 138 HG2 GLU 15 2HG GLU 15 6.115 -0.975 -8.931 139 HG3 GLU 15 1HG GLU 15 7.182 0.355 -8.484 140 H ALA 16 H ALA 16 5.490 -2.361 -4.769 141 HA ALA 16 HA ALA 16 7.305 -2.095 -2.587 142 HB1 ALA 16 1HB ALA 16 4.533 -2.005 -1.548 143 HB2 ALA 16 2HB ALA 16 5.096 -0.508 -2.295 144 HB3 ALA 16 3HB ALA 16 5.986 -1.207 -0.939 145 H ILE 17 H ILE 17 7.440 -3.982 -1.439 146 HA ILE 17 HA ILE 17 5.458 -6.074 -1.928 147 HB ILE 17 HB ILE 17 7.578 -7.644 -2.084 148 HG12 ILE 17 2HG1 ILE 17 9.278 -6.609 -3.598 149 HG13 ILE 17 1HG1 ILE 17 8.509 -5.047 -3.331 150 HG21 ILE 17 1HG2 ILE 17 6.234 -8.044 -3.830 151 HG22 ILE 17 2HG2 ILE 17 7.349 -7.011 -4.723 152 HG23 ILE 17 3HG2 ILE 17 5.861 -6.336 -4.060 153 HD11 ILE 17 3HD1 ILE 17 10.593 -5.634 -1.970 154 HD12 ILE 17 1HD1 ILE 17 9.522 -6.681 -1.040 155 HD13 ILE 17 2HD1 ILE 17 9.209 -4.947 -1.120 156 H LYS 18 H LYS 18 5.092 -7.355 -0.207 157 HA LYS 18 HA LYS 18 7.045 -7.354 1.971 158 HB2 LYS 18 2HB LYS 18 4.213 -7.181 2.823 159 HB3 LYS 18 1HB LYS 18 5.652 -6.473 3.549 160 HG2 LYS 18 2HG LYS 18 4.534 -5.428 0.995 161 HG3 LYS 18 1HG LYS 18 3.871 -4.925 2.539 162 HD2 LYS 18 2HD LYS 18 6.642 -4.479 1.458 163 HD3 LYS 18 1HD LYS 18 5.458 -3.277 1.958 164 HE2 LYS 18 2HE LYS 18 6.653 -3.213 3.854 165 HE3 LYS 18 1HE LYS 18 5.777 -4.689 4.252 166 HZ1 LYS 18 3HZ LYS 18 8.304 -4.702 4.460 167 HZ2 LYS 18 1HZ LYS 18 8.329 -4.784 2.770 168 HZ3 LYS 18 2HZ LYS 18 7.580 -6.008 3.665 169 H GLU 19 H GLU 19 7.138 -9.211 3.166 170 HA GLU 19 HA GLU 19 5.416 -11.415 2.243 171 HB2 GLU 19 2HB GLU 19 8.140 -11.274 2.122 172 HB3 GLU 19 1HB GLU 19 7.906 -12.099 3.655 173 HG2 GLU 19 2HG GLU 19 7.037 -13.961 2.677 174 HG3 GLU 19 1HG GLU 19 6.370 -13.065 1.311 175 H ALA 20 H ALA 20 3.841 -11.738 3.678 176 HA ALA 20 HA ALA 20 4.588 -12.008 6.507 177 HB1 ALA 20 1HB ALA 20 3.062 -10.542 7.277 178 HB2 ALA 20 2HB ALA 20 1.915 -10.885 5.981 179 HB3 ALA 20 3HB ALA 20 3.287 -9.817 5.684 180 H VAL 21 H VAL 21 2.733 -13.067 7.763 181 HA VAL 21 HA VAL 21 2.099 -15.539 6.445 182 HB VAL 21 HB VAL 21 2.697 -15.478 8.828 183 HG11 VAL 21 1HG1 VAL 21 0.067 -14.046 9.178 184 HG12 VAL 21 2HG1 VAL 21 1.674 -13.368 9.445 185 HG13 VAL 21 3HG1 VAL 21 1.079 -14.664 10.483 186 HG21 VAL 21 3HG2 VAL 21 -0.010 -16.542 8.074 187 HG22 VAL 21 1HG2 VAL 21 0.706 -16.844 9.658 188 HG23 VAL 21 2HG2 VAL 21 1.517 -17.404 8.200 189 H ASP 22 H ASP 22 0.387 -12.601 7.240 190 HA ASP 22 HA ASP 22 -2.036 -13.730 6.019 191 HB2 ASP 22 2HB ASP 22 -1.871 -12.890 8.585 192 HB3 ASP 22 1HB ASP 22 -2.309 -11.376 7.799 193 H ALA 23 H ALA 23 -3.252 -11.019 6.104 194 HA ALA 23 HA ALA 23 -1.753 -9.823 3.869 195 HB1 ALA 23 1HB ALA 23 -4.723 -9.566 4.244 196 HB2 ALA 23 2HB ALA 23 -3.999 -10.910 3.360 197 HB3 ALA 23 3HB ALA 23 -3.765 -9.255 2.796 198 H GLY 24 H GLY 24 -3.469 -9.256 6.856 199 HA2 GLY 24 2HA GLY 24 -3.765 -6.491 6.758 200 HA3 GLY 24 1HA GLY 24 -3.577 -7.425 8.230 201 H ILE 25 H ILE 25 -0.921 -8.409 7.351 202 HA ILE 25 HA ILE 25 0.647 -6.404 8.582 203 HB ILE 25 HB ILE 25 1.397 -8.910 7.080 204 HG12 ILE 25 2HG1 ILE 25 0.394 -9.319 9.239 205 HG13 ILE 25 1HG1 ILE 25 2.121 -9.630 9.362 206 HG21 ILE 25 1HG2 ILE 25 3.183 -6.816 8.277 207 HG22 ILE 25 2HG2 ILE 25 3.282 -7.583 6.692 208 HG23 ILE 25 3HG2 ILE 25 3.696 -8.498 8.141 209 HD11 ILE 25 3HD1 ILE 25 0.593 -7.262 10.395 210 HD12 ILE 25 1HD1 ILE 25 2.354 -7.312 10.305 211 HD13 ILE 25 2HD1 ILE 25 1.490 -8.472 11.314 212 H ALA 26 H ALA 26 0.326 -7.428 5.183 213 HA ALA 26 HA ALA 26 2.270 -5.628 4.221 214 HB1 ALA 26 1HB ALA 26 1.398 -7.649 2.999 215 HB2 ALA 26 2HB ALA 26 1.598 -6.176 2.043 216 HB3 ALA 26 3HB ALA 26 -0.011 -6.670 2.582 217 H GLU 27 H GLU 27 -1.302 -5.388 4.289 218 HA GLU 27 HA GLU 27 -1.512 -2.928 3.020 219 HB2 GLU 27 2HB GLU 27 -3.611 -2.544 4.216 220 HB3 GLU 27 1HB GLU 27 -3.527 -4.191 3.610 221 HG2 GLU 27 2HG GLU 27 -2.691 -4.810 5.923 222 HG3 GLU 27 1HG GLU 27 -3.220 -3.207 6.422 223 H LYS 28 H LYS 28 -0.412 -3.699 6.218 224 HA LYS 28 HA LYS 28 -0.563 -1.082 7.309 225 HB2 LYS 28 2HB LYS 28 1.221 -3.405 8.058 226 HB3 LYS 28 1HB LYS 28 1.027 -1.938 9.006 227 HG2 LYS 28 2HG LYS 28 -1.477 -3.304 8.334 228 HG3 LYS 28 1HG LYS 28 -0.386 -4.216 9.377 229 HD2 LYS 28 2HD LYS 28 -1.146 -3.022 11.097 230 HD3 LYS 28 1HD LYS 28 -0.373 -1.605 10.385 231 HE2 LYS 28 2HE LYS 28 -2.481 -1.327 9.004 232 HE3 LYS 28 1HE LYS 28 -3.214 -2.539 10.054 233 HZ1 LYS 28 3HZ LYS 28 -2.430 0.215 10.657 234 HZ2 LYS 28 1HZ LYS 28 -2.301 -0.929 11.898 235 HZ3 LYS 28 2HZ LYS 28 -3.794 -0.652 11.153 236 H TYR 29 H TYR 29 1.961 -2.881 5.591 237 HA TYR 29 HA TYR 29 3.836 -0.682 5.767 238 HB2 TYR 29 2HB TYR 29 3.874 -3.426 4.610 239 HB3 TYR 29 1HB TYR 29 4.974 -2.222 3.924 240 HD1 TYR 29 2HD TYR 29 5.752 -0.558 6.030 241 HD2 TYR 29 1HD TYR 29 5.197 -4.771 6.130 242 HE1 TYR 29 2HE TYR 29 7.288 -0.685 7.894 243 HE2 TYR 29 1HE TYR 29 6.758 -4.928 8.021 244 HH TYR 29 HH TYR 29 7.699 -3.558 9.767 245 H PHE 30 H PHE 30 1.671 -2.061 3.502 246 HA PHE 30 HA PHE 30 2.495 -0.646 1.222 247 HB2 PHE 30 2HB PHE 30 -0.061 -2.031 2.062 248 HB3 PHE 30 1HB PHE 30 0.086 -1.259 0.481 249 HD1 PHE 30 2HD PHE 30 3.241 -2.249 0.674 250 HD2 PHE 30 1HD PHE 30 -0.551 -4.046 0.734 251 HE1 PHE 30 2HE PHE 30 4.212 -4.254 -0.352 252 HE2 PHE 30 1HE PHE 30 0.371 -6.088 -0.280 253 HZ PHE 30 HZ PHE 30 2.772 -6.188 -0.823 254 H LYS 31 H LYS 31 0.394 -0.067 3.923 255 HA LYS 31 HA LYS 31 -0.443 2.520 2.900 256 HB2 LYS 31 2HB LYS 31 -1.987 2.619 4.666 257 HB3 LYS 31 1HB LYS 31 -1.999 0.930 4.183 258 HG2 LYS 31 2HG LYS 31 -0.351 0.530 6.074 259 HG3 LYS 31 1HG LYS 31 -0.730 2.166 6.614 260 HD2 LYS 31 2HD LYS 31 -2.778 -0.006 6.186 261 HD3 LYS 31 1HD LYS 31 -2.061 0.395 7.749 262 HE2 LYS 31 2HE LYS 31 -3.912 1.699 7.893 263 HE3 LYS 31 1HE LYS 31 -2.868 2.832 7.035 264 HZ1 LYS 31 3HZ LYS 31 -4.062 2.643 5.151 265 HZ2 LYS 31 1HZ LYS 31 -5.300 2.175 6.207 266 HZ3 LYS 31 2HZ LYS 31 -4.404 1.002 5.379 267 H LEU 32 H LEU 32 1.958 1.040 4.897 268 HA LEU 32 HA LEU 32 2.548 3.284 6.549 269 HB2 LEU 32 2HB LEU 32 3.356 0.970 7.012 270 HB3 LEU 32 1HB LEU 32 4.505 1.145 5.697 271 HG LEU 32 HG LEU 32 5.614 2.958 6.859 272 HD11 LEU 32 1HD1 LEU 32 4.817 3.177 9.369 273 HD12 LEU 32 2HD1 LEU 32 3.267 2.732 8.658 274 HD13 LEU 32 3HD1 LEU 32 4.121 4.164 8.085 275 HD21 LEU 32 3HD2 LEU 32 5.283 0.290 8.031 276 HD22 LEU 32 1HD2 LEU 32 5.951 1.501 9.127 277 HD23 LEU 32 2HD2 LEU 32 6.756 1.168 7.595 278 H ILE 33 H ILE 33 3.894 2.191 3.436 279 HA ILE 33 HA ILE 33 5.501 4.588 3.235 280 HB ILE 33 HB ILE 33 6.422 2.495 2.369 281 HG12 ILE 33 2HG1 ILE 33 7.342 3.374 0.381 282 HG13 ILE 33 1HG1 ILE 33 5.865 4.243 -0.021 283 HG21 ILE 33 1HG2 ILE 33 4.723 2.406 -0.017 284 HG22 ILE 33 2HG2 ILE 33 3.910 1.956 1.482 285 HG23 ILE 33 3HG2 ILE 33 5.363 1.095 0.973 286 HD11 ILE 33 3HD1 ILE 33 6.390 6.015 1.290 287 HD12 ILE 33 1HD1 ILE 33 8.026 5.441 0.957 288 HD13 ILE 33 2HD1 ILE 33 7.237 5.021 2.478 289 H ALA 34 H ALA 34 2.497 3.295 1.925 290 HA ALA 34 HA ALA 34 2.132 5.087 -0.188 291 HB1 ALA 34 1HB ALA 34 -0.370 4.686 0.364 292 HB2 ALA 34 2HB ALA 34 0.255 3.540 1.548 293 HB3 ALA 34 3HB ALA 34 0.623 3.327 -0.162 294 H ASN 35 H ASN 35 1.735 5.450 3.258 295 HA ASN 35 HA ASN 35 0.428 8.029 3.021 296 HB2 ASN 35 2HB ASN 35 0.888 6.090 5.136 297 HB3 ASN 35 1HB ASN 35 1.299 7.717 5.663 298 HD21 ASN 35 1HD2 ASN 35 -1.198 6.521 3.455 299 HD22 ASN 35 2HD2 ASN 35 -2.531 7.193 4.324 300 H ALA 36 H ALA 36 3.596 6.689 3.747 301 HA ALA 36 HA ALA 36 4.814 9.159 4.480 302 HB1 ALA 36 1HB ALA 36 6.951 7.898 4.098 303 HB2 ALA 36 2HB ALA 36 5.971 6.523 3.593 304 HB3 ALA 36 3HB ALA 36 5.837 7.144 5.238 305 H LYS 37 H LYS 37 4.258 7.472 1.480 306 HA LYS 37 HA LYS 37 5.898 9.374 -0.007 307 HB2 LYS 37 2HB LYS 37 4.523 6.813 -0.798 308 HB3 LYS 37 1HB LYS 37 5.090 7.951 -2.008 309 HG2 LYS 37 2HG LYS 37 7.101 7.328 0.003 310 HG3 LYS 37 1HG LYS 37 6.556 5.920 -0.910 311 HD2 LYS 37 2HD LYS 37 7.168 6.909 -2.976 312 HD3 LYS 37 1HD LYS 37 7.400 8.491 -2.228 313 HE2 LYS 37 2HE LYS 37 9.236 7.419 -0.854 314 HE3 LYS 37 1HE LYS 37 9.098 6.026 -1.926 315 HZ1 LYS 37 3HZ LYS 37 10.279 8.618 -2.412 316 HZ2 LYS 37 1HZ LYS 37 9.313 8.045 -3.677 317 HZ3 LYS 37 2HZ LYS 37 10.619 7.123 -3.125 318 H THR 38 H THR 38 2.561 8.137 -0.057 319 HA THR 38 HA THR 38 1.706 10.702 -1.234 320 HB THR 38 HB THR 38 -0.021 8.294 -1.491 321 HG1 THR 38 1HG THR 38 2.373 8.677 -2.953 322 HG21 THR 38 3HG2 THR 38 0.513 10.763 -3.037 323 HG22 THR 38 1HG2 THR 38 -1.016 9.979 -2.635 324 HG23 THR 38 2HG2 THR 38 -0.000 9.324 -3.917 325 H VAL 39 H VAL 39 -0.904 10.768 -0.850 326 HA VAL 39 HA VAL 39 -1.718 9.878 1.752 327 HB VAL 39 HB VAL 39 -2.162 12.291 2.531 328 HG11 VAL 39 1HG1 VAL 39 -0.428 10.572 3.372 329 HG12 VAL 39 2HG1 VAL 39 -0.242 12.264 3.833 330 HG13 VAL 39 3HG1 VAL 39 0.747 11.589 2.539 331 HG21 VAL 39 3HG2 VAL 39 0.277 13.119 1.101 332 HG22 VAL 39 1HG2 VAL 39 -1.159 14.048 1.532 333 HG23 VAL 39 2HG2 VAL 39 -1.183 12.993 0.119 334 H GLU 40 H GLU 40 -2.814 9.548 -0.821 335 HA GLU 40 HA GLU 40 -5.495 10.087 -0.398 336 HB2 GLU 40 2HB GLU 40 -5.837 11.855 -2.208 337 HB3 GLU 40 1HB GLU 40 -5.205 12.407 -0.657 338 HG2 GLU 40 2HG GLU 40 -3.650 13.450 -1.856 339 HG3 GLU 40 1HG GLU 40 -2.920 11.859 -2.060 340 H GLY 41 H GLY 41 -6.662 8.816 -1.701 341 HA2 GLY 41 2HA GLY 41 -6.656 8.387 -4.354 342 HA3 GLY 41 1HA GLY 41 -5.263 7.431 -3.854 343 H VAL 42 H VAL 42 -7.517 6.332 -5.111 344 HA VAL 42 HA VAL 42 -9.221 5.131 -3.125 345 HB VAL 42 HB VAL 42 -10.117 3.786 -4.994 346 HG11 VAL 42 1HG1 VAL 42 -9.988 6.554 -6.071 347 HG12 VAL 42 2HG1 VAL 42 -10.648 6.314 -4.453 348 HG13 VAL 42 3HG1 VAL 42 -11.378 5.494 -5.832 349 HG21 VAL 42 3HG2 VAL 42 -8.643 3.331 -6.625 350 HG22 VAL 42 1HG2 VAL 42 -7.689 4.780 -6.304 351 HG23 VAL 42 2HG2 VAL 42 -9.148 4.885 -7.290 352 H TRP 43 H TRP 43 -8.505 3.606 -1.824 353 HA TRP 43 HA TRP 43 -6.228 1.987 -2.477 354 HB2 TRP 43 2HB TRP 43 -7.829 2.724 -0.141 355 HB3 TRP 43 1HB TRP 43 -7.201 1.093 -0.092 356 HD1 TRP 43 HD TRP 43 -6.056 4.756 -0.236 357 HE1 TRP 43 1HE TRP 43 -3.641 4.912 0.616 358 HE3 TRP 43 3HE TRP 43 -4.994 -0.257 0.266 359 HZ2 TRP 43 2HZ TRP 43 -1.583 3.166 1.406 360 HZ3 TRP 43 3HZ TRP 43 -2.762 -0.870 1.079 361 HH2 TRP 43 HH TRP 43 -1.112 0.793 1.626 362 H THR 44 H THR 44 -6.236 -0.076 -3.149 363 HA THR 44 HA THR 44 -8.600 -1.740 -2.787 364 HB THR 44 HB THR 44 -8.832 -2.312 -5.102 365 HG1 THR 44 1HG THR 44 -7.106 -2.204 -6.268 366 HG21 THR 44 3HG2 THR 44 -9.717 -0.393 -6.015 367 HG22 THR 44 1HG2 THR 44 -8.481 0.643 -5.303 368 HG23 THR 44 2HG2 THR 44 -9.750 -0.040 -4.287 369 H TYR 45 H TYR 45 -8.186 -3.989 -3.000 370 HA TYR 45 HA TYR 45 -5.389 -4.767 -3.385 371 HB2 TYR 45 2HB TYR 45 -5.306 -4.697 -1.067 372 HB3 TYR 45 1HB TYR 45 -6.995 -5.174 -0.880 373 HD1 TYR 45 2HD TYR 45 -3.709 -6.518 -2.038 374 HD2 TYR 45 1HD TYR 45 -7.484 -7.357 -0.268 375 HE1 TYR 45 2HE TYR 45 -2.990 -8.830 -1.618 376 HE2 TYR 45 1HE TYR 45 -6.777 -9.674 0.157 377 HH TYR 45 HH TYR 45 -4.643 -10.925 0.440 378 H LYS 46 H LYS 46 -5.073 -6.792 -4.219 379 HA LYS 46 HA LYS 46 -7.508 -8.202 -5.078 380 HB2 LYS 46 2HB LYS 46 -4.766 -8.486 -6.301 381 HB3 LYS 46 1HB LYS 46 -6.316 -8.981 -6.984 382 HG2 LYS 46 2HG LYS 46 -6.914 -6.797 -7.517 383 HG3 LYS 46 1HG LYS 46 -5.735 -6.101 -6.404 384 HD2 LYS 46 2HD LYS 46 -3.916 -6.749 -7.821 385 HD3 LYS 46 1HD LYS 46 -4.996 -7.676 -8.865 386 HE2 LYS 46 2HE LYS 46 -5.997 -5.738 -9.732 387 HE3 LYS 46 1HE LYS 46 -5.354 -4.726 -8.440 388 HZ1 LYS 46 3HZ LYS 46 -3.395 -6.091 -10.101 389 HZ2 LYS 46 1HZ LYS 46 -3.373 -4.523 -9.466 390 HZ3 LYS 46 2HZ LYS 46 -4.275 -4.859 -10.856 391 H ASP 47 H ASP 47 -7.803 -10.312 -4.582 392 HA ASP 47 HA ASP 47 -5.894 -11.505 -2.719 393 HB2 ASP 47 2HB ASP 47 -8.279 -11.418 -2.080 394 HB3 ASP 47 1HB ASP 47 -8.680 -12.409 -3.483 395 H GLU 48 H GLU 48 -7.184 -11.932 -5.919 396 HA GLU 48 HA GLU 48 -6.600 -14.576 -6.434 397 HB2 GLU 48 2HB GLU 48 -7.765 -12.904 -7.943 398 HB3 GLU 48 1HB GLU 48 -6.163 -12.365 -8.428 399 HG2 GLU 48 2HG GLU 48 -5.982 -15.060 -8.779 400 HG3 GLU 48 1HG GLU 48 -7.663 -14.745 -9.203 401 H ILE 49 H ILE 49 -4.431 -11.847 -6.213 402 HA ILE 49 HA ILE 49 -2.169 -13.690 -6.429 403 HB ILE 49 HB ILE 49 -0.891 -12.091 -7.791 404 HG12 ILE 49 2HG1 ILE 49 -2.241 -10.085 -7.118 405 HG13 ILE 49 1HG1 ILE 49 -1.916 -10.199 -8.844 406 HG21 ILE 49 1HG2 ILE 49 -3.476 -13.070 -8.987 407 HG22 ILE 49 2HG2 ILE 49 -1.936 -13.917 -8.924 408 HG23 ILE 49 3HG2 ILE 49 -2.104 -12.484 -9.929 409 HD11 ILE 49 3HD1 ILE 49 -4.425 -10.059 -7.460 410 HD12 ILE 49 1HD1 ILE 49 -4.350 -11.508 -8.462 411 HD13 ILE 49 2HD1 ILE 49 -4.082 -9.922 -9.185 412 H LYS 50 H LYS 50 -3.661 -11.862 -4.382 413 HA LYS 50 HA LYS 50 -3.142 -10.509 -2.618 414 HB2 LYS 50 2HB LYS 50 -0.379 -11.670 -2.652 415 HB3 LYS 50 1HB LYS 50 -1.404 -11.291 -1.276 416 HG2 LYS 50 2HG LYS 50 -1.931 -13.528 -3.218 417 HG3 LYS 50 1HG LYS 50 -1.101 -13.714 -1.672 418 HD2 LYS 50 2HD LYS 50 -3.782 -12.415 -1.728 419 HD3 LYS 50 1HD LYS 50 -3.681 -14.165 -1.881 420 HE2 LYS 50 2HE LYS 50 -1.974 -13.590 0.218 421 HE3 LYS 50 1HE LYS 50 -3.320 -12.477 0.453 422 HZ1 LYS 50 3HZ LYS 50 -4.037 -15.217 -0.180 423 HZ2 LYS 50 1HZ LYS 50 -4.733 -14.144 0.927 424 HZ3 LYS 50 2HZ LYS 50 -3.322 -14.975 1.334 425 H THR 51 H THR 51 -3.188 -8.643 -4.123 426 HA THR 51 HA THR 51 -0.631 -7.239 -4.004 427 HB THR 51 HB THR 51 -2.288 -7.508 -6.518 428 HG1 THR 51 1HG THR 51 0.356 -8.333 -5.910 429 HG21 THR 51 3HG2 THR 51 0.312 -6.034 -6.259 430 HG22 THR 51 1HG2 THR 51 -1.259 -5.235 -6.187 431 HG23 THR 51 2HG2 THR 51 -0.776 -6.102 -7.645 432 H PHE 52 H PHE 52 -0.824 -5.230 -3.320 433 HA PHE 52 HA PHE 52 -3.508 -4.087 -3.084 434 HB2 PHE 52 2HB PHE 52 -1.046 -3.954 -1.524 435 HB3 PHE 52 1HB PHE 52 -1.796 -2.385 -1.735 436 HD1 PHE 52 1HD PHE 52 -2.310 -5.812 -0.465 437 HD2 PHE 52 2HD PHE 52 -3.744 -1.805 -0.547 438 HE1 PHE 52 1HE PHE 52 -3.882 -6.340 1.354 439 HE2 PHE 52 2HE PHE 52 -5.320 -2.328 1.271 440 HZ PHE 52 HZ PHE 52 -5.389 -4.598 2.224 441 H THR 53 H THR 53 -4.045 -2.137 -3.958 442 HA THR 53 HA THR 53 -2.032 -0.657 -5.473 443 HB THR 53 HB THR 53 -4.630 -1.431 -6.784 444 HG1 THR 53 1HG THR 53 -2.121 -2.691 -7.159 445 HG21 THR 53 3HG2 THR 53 -3.961 -0.116 -8.422 446 HG22 THR 53 1HG2 THR 53 -2.507 -1.095 -8.610 447 HG23 THR 53 2HG2 THR 53 -2.500 0.294 -7.522 448 H VAL 54 H VAL 54 -2.377 1.503 -5.632 449 HA VAL 54 HA VAL 54 -4.939 2.525 -4.599 450 HB VAL 54 HB VAL 54 -2.498 2.842 -3.295 451 HG11 VAL 54 1HG1 VAL 54 -3.228 5.463 -4.635 452 HG12 VAL 54 2HG1 VAL 54 -1.782 4.515 -4.977 453 HG13 VAL 54 3HG1 VAL 54 -2.004 5.244 -3.384 454 HG21 VAL 54 3HG2 VAL 54 -5.096 4.370 -3.134 455 HG22 VAL 54 1HG2 VAL 54 -3.807 4.535 -1.942 456 HG23 VAL 54 2HG2 VAL 54 -4.600 2.975 -2.177 457 H THR 55 H THR 55 -5.988 3.807 -5.969 458 HA THR 55 HA THR 55 -4.495 4.898 -8.251 459 HB THR 55 HB THR 55 -7.401 5.056 -8.444 460 HG1 THR 55 1HG THR 55 -6.252 2.471 -8.298 461 HG21 THR 55 3HG2 THR 55 -5.637 5.172 -10.297 462 HG22 THR 55 1HG2 THR 55 -7.107 4.243 -10.591 463 HG23 THR 55 2HG2 THR 55 -5.607 3.412 -10.178 464 H GLU 56 H GLU 56 -4.872 7.036 -8.962 465 HA GLU 56 HA GLU 56 -5.093 8.934 -6.876 466 HB2 GLU 56 2HB GLU 56 -5.155 10.595 -8.815 467 HB3 GLU 56 1HB GLU 56 -3.736 9.566 -8.693 468 HG2 GLU 56 2HG GLU 56 -4.110 8.636 -10.676 469 HG3 GLU 56 1HG GLU 56 -5.822 8.389 -10.332 Start of MODEL 11 1 H1 THR 1 1HT THR 1 1.907 -15.122 -0.187 2 H2 THR 1 2HT THR 1 1.454 -14.211 1.193 3 H3 THR 1 3HT THR 1 1.528 -15.925 1.280 4 HA THR 1 HA THR 1 3.401 -14.976 2.344 5 HB THR 1 HB THR 1 4.287 -16.081 -0.316 6 HG1 THR 1 1HG THR 1 2.645 -17.422 0.200 7 HG21 THR 1 3HG2 THR 1 5.311 -16.290 2.485 8 HG22 THR 1 1HG2 THR 1 6.162 -15.789 1.024 9 HG23 THR 1 2HG2 THR 1 5.724 -17.481 1.260 10 H THR 2 H THR 2 3.869 -14.374 -1.144 11 HA THR 2 HA THR 2 5.408 -11.984 -0.477 12 HB THR 2 HB THR 2 6.362 -13.631 -2.060 13 HG1 THR 2 1HG THR 2 7.274 -12.041 -3.072 14 HG21 THR 2 3HG2 THR 2 4.280 -12.745 -4.027 15 HG22 THR 2 1HG2 THR 2 4.178 -14.260 -3.131 16 HG23 THR 2 2HG2 THR 2 5.524 -13.973 -4.234 17 H TYR 3 H TYR 3 4.516 -10.043 -0.544 18 HA TYR 3 HA TYR 3 2.025 -9.693 -2.073 19 HB2 TYR 3 2HB TYR 3 3.058 -8.451 0.452 20 HB3 TYR 3 1HB TYR 3 1.909 -7.573 -0.553 21 HD1 TYR 3 1HD TYR 3 1.947 -11.236 0.013 22 HD2 TYR 3 2HD TYR 3 0.052 -7.523 0.853 23 HE1 TYR 3 1HE TYR 3 0.074 -12.440 1.053 24 HE2 TYR 3 2HE TYR 3 -1.832 -8.717 1.897 25 HH TYR 3 HH TYR 3 -1.779 -11.642 2.986 26 H LYS 4 H LYS 4 1.699 -7.779 -3.273 27 HA LYS 4 HA LYS 4 4.112 -6.203 -3.846 28 HB2 LYS 4 2HB LYS 4 3.129 -8.100 -5.581 29 HB3 LYS 4 1HB LYS 4 2.374 -6.623 -6.168 30 HG2 LYS 4 2HG LYS 4 4.356 -5.693 -6.805 31 HG3 LYS 4 1HG LYS 4 5.287 -6.572 -5.590 32 HD2 LYS 4 2HD LYS 4 5.023 -8.635 -6.875 33 HD3 LYS 4 1HD LYS 4 4.072 -7.767 -8.082 34 HE2 LYS 4 2HE LYS 4 6.295 -6.230 -7.997 35 HE3 LYS 4 1HE LYS 4 6.983 -7.810 -7.629 36 HZ1 LYS 4 3HZ LYS 4 5.473 -6.999 -10.042 37 HZ2 LYS 4 1HZ LYS 4 5.742 -8.622 -9.651 38 HZ3 LYS 4 2HZ LYS 4 7.052 -7.595 -9.951 39 H LEU 5 H LEU 5 3.795 -4.051 -4.157 40 HA LEU 5 HA LEU 5 1.013 -3.072 -4.016 41 HB2 LEU 5 2HB LEU 5 2.471 -2.628 -1.948 42 HB3 LEU 5 1HB LEU 5 3.449 -1.619 -3.019 43 HG LEU 5 HG LEU 5 1.732 -0.041 -3.331 44 HD11 LEU 5 1HD1 LEU 5 -0.438 -0.806 -1.772 45 HD12 LEU 5 2HD1 LEU 5 -0.011 -2.240 -2.701 46 HD13 LEU 5 3HD1 LEU 5 -0.360 -0.728 -3.532 47 HD21 LEU 5 3HD2 LEU 5 2.129 -0.928 -0.517 48 HD22 LEU 5 1HD2 LEU 5 0.996 0.378 -0.862 49 HD23 LEU 5 2HD2 LEU 5 2.690 0.531 -1.330 50 H ILE 6 H ILE 6 0.421 -1.365 -5.235 51 HA ILE 6 HA ILE 6 2.448 -0.138 -6.929 52 HB ILE 6 HB ILE 6 -0.213 -1.147 -7.976 53 HG12 ILE 6 2HG1 ILE 6 1.339 -2.508 -9.491 54 HG13 ILE 6 1HG1 ILE 6 2.624 -2.101 -8.357 55 HG21 ILE 6 1HG2 ILE 6 0.030 0.146 -9.775 56 HG22 ILE 6 2HG2 ILE 6 1.735 -0.269 -9.942 57 HG23 ILE 6 3HG2 ILE 6 1.248 1.029 -8.853 58 HD11 ILE 6 3HD1 ILE 6 0.766 -4.209 -8.214 59 HD12 ILE 6 1HD1 ILE 6 0.396 -3.097 -6.896 60 HD13 ILE 6 2HD1 ILE 6 2.019 -3.771 -7.051 61 H LEU 7 H LEU 7 2.361 1.972 -6.510 62 HA LEU 7 HA LEU 7 -0.184 3.111 -5.599 63 HB2 LEU 7 2HB LEU 7 2.538 4.357 -5.311 64 HB3 LEU 7 1HB LEU 7 1.058 4.779 -4.457 65 HG LEU 7 HG LEU 7 1.173 2.407 -3.468 66 HD11 LEU 7 1HD1 LEU 7 2.754 1.176 -4.511 67 HD12 LEU 7 2HD1 LEU 7 3.798 1.913 -3.297 68 HD13 LEU 7 3HD1 LEU 7 3.732 2.582 -4.926 69 HD21 LEU 7 3HD2 LEU 7 3.032 4.659 -2.787 70 HD22 LEU 7 1HD2 LEU 7 2.959 3.192 -1.810 71 HD23 LEU 7 2HD2 LEU 7 1.520 4.193 -2.006 72 H ASN 8 H ASN 8 -1.159 4.750 -6.596 73 HA ASN 8 HA ASN 8 0.242 6.084 -8.812 74 HB2 ASN 8 2HB ASN 8 -1.975 4.250 -9.051 75 HB3 ASN 8 1HB ASN 8 -2.449 5.852 -9.617 76 HD21 ASN 8 1HD2 ASN 8 -0.530 6.898 -10.929 77 HD22 ASN 8 2HD2 ASN 8 0.080 5.888 -12.185 78 H LEU 9 H LEU 9 0.254 8.188 -8.381 79 HA LEU 9 HA LEU 9 -2.153 9.362 -7.149 80 HB2 LEU 9 2HB LEU 9 -0.935 10.555 -5.626 81 HB3 LEU 9 1HB LEU 9 0.110 9.149 -5.782 82 HG LEU 9 HG LEU 9 1.266 10.652 -7.643 83 HD11 LEU 9 1HD1 LEU 9 0.373 12.768 -5.709 84 HD12 LEU 9 2HD1 LEU 9 -0.476 12.469 -7.227 85 HD13 LEU 9 3HD1 LEU 9 1.218 12.958 -7.245 86 HD21 LEU 9 3HD2 LEU 9 1.977 9.741 -5.246 87 HD22 LEU 9 1HD2 LEU 9 1.943 11.467 -4.879 88 HD23 LEU 9 2HD2 LEU 9 2.979 10.860 -6.172 89 H LYS 10 H LYS 10 0.572 9.882 -9.350 90 HA LYS 10 HA LYS 10 -0.979 11.361 -11.171 91 HB2 LYS 10 2HB LYS 10 0.443 12.910 -9.092 92 HB3 LYS 10 1HB LYS 10 0.637 13.486 -10.741 93 HG2 LYS 10 2HG LYS 10 -2.027 13.136 -10.686 94 HG3 LYS 10 1HG LYS 10 -1.727 13.516 -8.989 95 HD2 LYS 10 2HD LYS 10 -0.204 15.388 -10.262 96 HD3 LYS 10 1HD LYS 10 -1.581 15.227 -11.355 97 HE2 LYS 10 2HE LYS 10 -2.121 16.946 -9.810 98 HE3 LYS 10 1HE LYS 10 -3.076 15.533 -9.374 99 HZ1 LYS 10 3HZ LYS 10 -2.240 15.717 -7.345 100 HZ2 LYS 10 1HZ LYS 10 -1.186 16.953 -7.819 101 HZ3 LYS 10 2HZ LYS 10 -0.710 15.336 -7.956 102 H GLN 11 H GLN 11 -0.022 10.090 -12.708 103 HA GLN 11 HA GLN 11 1.554 9.324 -14.172 104 HB2 GLN 11 2HB GLN 11 1.960 12.176 -13.773 105 HB3 GLN 11 1HB GLN 11 3.410 11.360 -14.352 106 HG2 GLN 11 2HG GLN 11 1.005 10.562 -15.783 107 HG3 GLN 11 1HG GLN 11 1.343 12.290 -15.905 108 HE21 GLN 11 1HE2 GLN 11 4.028 12.402 -15.945 109 HE22 GLN 11 2HE2 GLN 11 4.650 11.588 -17.338 110 H ALA 12 H ALA 12 2.061 8.995 -11.204 111 HA ALA 12 HA ALA 12 4.896 8.266 -11.459 112 HB1 ALA 12 1HB ALA 12 5.268 10.009 -10.057 113 HB2 ALA 12 2HB ALA 12 4.827 8.806 -8.843 114 HB3 ALA 12 3HB ALA 12 3.633 9.978 -9.403 115 H LYS 13 H LYS 13 4.976 6.122 -11.361 116 HA LYS 13 HA LYS 13 3.046 4.708 -9.660 117 HB2 LYS 13 2HB LYS 13 3.599 2.700 -11.002 118 HB3 LYS 13 1HB LYS 13 3.087 4.027 -12.046 119 HG2 LYS 13 2HG LYS 13 5.476 4.530 -12.477 120 HG3 LYS 13 1HG LYS 13 5.904 3.092 -11.551 121 HD2 LYS 13 2HD LYS 13 4.095 3.061 -13.965 122 HD3 LYS 13 1HD LYS 13 5.831 2.759 -14.036 123 HE2 LYS 13 2HE LYS 13 4.367 1.180 -12.028 124 HE3 LYS 13 1HE LYS 13 3.949 0.835 -13.709 125 HZ1 LYS 13 3HZ LYS 13 6.760 0.930 -12.799 126 HZ2 LYS 13 1HZ LYS 13 6.132 0.217 -14.199 127 HZ3 LYS 13 2HZ LYS 13 5.837 -0.485 -12.685 128 H GLU 14 H GLU 14 3.704 3.920 -7.796 129 HA GLU 14 HA GLU 14 6.586 3.456 -7.390 130 HB2 GLU 14 2HB GLU 14 4.520 4.728 -5.746 131 HB3 GLU 14 1HB GLU 14 5.460 3.523 -4.864 132 HG2 GLU 14 2HG GLU 14 7.097 4.982 -4.614 133 HG3 GLU 14 1HG GLU 14 7.272 5.100 -6.365 134 H GLU 15 H GLU 15 7.186 1.643 -6.017 135 HA GLU 15 HA GLU 15 5.177 -0.512 -6.054 136 HB2 GLU 15 2HB GLU 15 8.124 -0.646 -6.682 137 HB3 GLU 15 1HB GLU 15 7.140 -2.071 -6.380 138 HG2 GLU 15 2HG GLU 15 5.761 -1.589 -8.286 139 HG3 GLU 15 1HG GLU 15 6.596 -0.057 -8.545 140 H ALA 16 H ALA 16 5.509 -2.224 -4.479 141 HA ALA 16 HA ALA 16 7.278 -1.876 -2.273 142 HB1 ALA 16 1HB ALA 16 5.099 -0.278 -2.035 143 HB2 ALA 16 2HB ALA 16 5.892 -1.022 -0.644 144 HB3 ALA 16 3HB ALA 16 4.453 -1.767 -1.342 145 H ILE 17 H ILE 17 7.412 -3.753 -1.085 146 HA ILE 17 HA ILE 17 5.470 -5.873 -1.653 147 HB ILE 17 HB ILE 17 7.480 -7.480 -1.677 148 HG12 ILE 17 2HG1 ILE 17 9.365 -6.160 -3.045 149 HG13 ILE 17 1HG1 ILE 17 8.792 -4.829 -2.050 150 HG21 ILE 17 1HG2 ILE 17 7.799 -6.659 -4.245 151 HG22 ILE 17 2HG2 ILE 17 6.285 -5.865 -3.813 152 HG23 ILE 17 3HG2 ILE 17 6.438 -7.615 -3.660 153 HD11 ILE 17 3HD1 ILE 17 9.148 -6.403 -0.067 154 HD12 ILE 17 1HD1 ILE 17 10.572 -5.731 -0.858 155 HD13 ILE 17 2HD1 ILE 17 10.080 -7.390 -1.193 156 H LYS 18 H LYS 18 5.176 -7.374 -0.055 157 HA LYS 18 HA LYS 18 6.801 -7.149 2.357 158 HB2 LYS 18 2HB LYS 18 3.793 -7.108 2.530 159 HB3 LYS 18 1HB LYS 18 4.960 -6.753 3.801 160 HG2 LYS 18 2HG LYS 18 4.695 -5.094 1.330 161 HG3 LYS 18 1HG LYS 18 3.763 -4.777 2.784 162 HD2 LYS 18 2HD LYS 18 5.653 -4.154 3.998 163 HD3 LYS 18 1HD LYS 18 6.749 -5.012 2.914 164 HE2 LYS 18 2HE LYS 18 6.412 -3.370 1.191 165 HE3 LYS 18 1HE LYS 18 5.168 -2.565 2.145 166 HZ1 LYS 18 3HZ LYS 18 6.709 -1.679 3.575 167 HZ2 LYS 18 1HZ LYS 18 7.571 -1.641 2.120 168 HZ3 LYS 18 2HZ LYS 18 7.875 -2.860 3.251 169 H GLU 19 H GLU 19 7.396 -9.102 2.988 170 HA GLU 19 HA GLU 19 5.991 -11.438 1.989 171 HB2 GLU 19 2HB GLU 19 8.624 -10.931 2.296 172 HB3 GLU 19 1HB GLU 19 8.300 -11.767 3.809 173 HG2 GLU 19 2HG GLU 19 8.759 -13.590 2.590 174 HG3 GLU 19 1HG GLU 19 7.075 -13.430 2.094 175 H ALA 20 H ALA 20 4.363 -12.279 3.104 176 HA ALA 20 HA ALA 20 4.563 -13.137 5.759 177 HB1 ALA 20 1HB ALA 20 4.392 -11.056 6.689 178 HB2 ALA 20 2HB ALA 20 2.690 -11.508 6.600 179 HB3 ALA 20 3HB ALA 20 3.381 -10.436 5.383 180 H VAL 21 H VAL 21 2.224 -13.561 6.683 181 HA VAL 21 HA VAL 21 0.661 -14.696 4.462 182 HB VAL 21 HB VAL 21 1.557 -16.347 6.051 183 HG11 VAL 21 1HG1 VAL 21 1.057 -14.502 7.986 184 HG12 VAL 21 2HG1 VAL 21 1.390 -16.214 8.282 185 HG13 VAL 21 3HG1 VAL 21 -0.277 -15.632 8.220 186 HG21 VAL 21 3HG2 VAL 21 -0.281 -17.654 5.908 187 HG22 VAL 21 1HG2 VAL 21 -0.907 -16.299 4.969 188 HG23 VAL 21 2HG2 VAL 21 -1.320 -16.453 6.677 189 H ASP 22 H ASP 22 0.536 -12.683 7.297 190 HA ASP 22 HA ASP 22 -2.337 -12.441 7.273 191 HB2 ASP 22 2HB ASP 22 -0.113 -11.459 8.971 192 HB3 ASP 22 1HB ASP 22 -1.548 -10.441 8.902 193 H ALA 23 H ALA 23 -2.879 -11.604 5.300 194 HA ALA 23 HA ALA 23 -1.748 -9.674 3.776 195 HB1 ALA 23 1HB ALA 23 -3.900 -10.995 3.382 196 HB2 ALA 23 2HB ALA 23 -3.809 -9.361 2.723 197 HB3 ALA 23 3HB ALA 23 -4.715 -9.665 4.206 198 H GLY 24 H GLY 24 -3.770 -9.109 6.626 199 HA2 GLY 24 2HA GLY 24 -4.073 -6.350 6.407 200 HA3 GLY 24 1HA GLY 24 -4.058 -7.236 7.923 201 H ILE 25 H ILE 25 -1.279 -8.202 7.283 202 HA ILE 25 HA ILE 25 0.110 -6.111 8.633 203 HB ILE 25 HB ILE 25 1.086 -8.678 7.375 204 HG12 ILE 25 2HG1 ILE 25 -0.241 -9.033 9.366 205 HG13 ILE 25 1HG1 ILE 25 1.451 -9.311 9.764 206 HG21 ILE 25 1HG2 ILE 25 3.075 -7.604 7.286 207 HG22 ILE 25 2HG2 ILE 25 3.109 -8.004 9.003 208 HG23 ILE 25 3HG2 ILE 25 2.601 -6.397 8.481 209 HD11 ILE 25 3HD1 ILE 25 -0.249 -6.942 10.471 210 HD12 ILE 25 1HD1 ILE 25 1.506 -6.956 10.645 211 HD13 ILE 25 2HD1 ILE 25 0.521 -8.101 11.555 212 H ALA 26 H ALA 26 0.044 -7.292 5.288 213 HA ALA 26 HA ALA 26 2.140 -5.641 4.381 214 HB1 ALA 26 1HB ALA 26 1.363 -7.611 3.133 215 HB2 ALA 26 2HB ALA 26 1.437 -6.148 2.145 216 HB3 ALA 26 3HB ALA 26 -0.120 -6.741 2.733 217 H GLU 27 H GLU 27 -1.400 -5.215 4.322 218 HA GLU 27 HA GLU 27 -1.421 -2.779 2.954 219 HB2 GLU 27 2HB GLU 27 -3.589 -2.307 4.012 220 HB3 GLU 27 1HB GLU 27 -3.521 -3.948 3.388 221 HG2 GLU 27 2HG GLU 27 -2.886 -4.640 5.735 222 HG3 GLU 27 1HG GLU 27 -3.363 -3.019 6.231 223 H LYS 28 H LYS 28 -0.696 -3.557 6.271 224 HA LYS 28 HA LYS 28 -0.790 -0.941 7.332 225 HB2 LYS 28 2HB LYS 28 0.885 -3.303 8.204 226 HB3 LYS 28 1HB LYS 28 0.615 -1.845 9.149 227 HG2 LYS 28 2HG LYS 28 -1.847 -3.128 8.261 228 HG3 LYS 28 1HG LYS 28 -0.853 -4.145 9.304 229 HD2 LYS 28 2HD LYS 28 -1.473 -2.984 11.099 230 HD3 LYS 28 1HD LYS 28 -0.941 -1.476 10.353 231 HE2 LYS 28 2HE LYS 28 -3.141 -0.969 10.555 232 HE3 LYS 28 1HE LYS 28 -3.225 -1.823 9.015 233 HZ1 LYS 28 3HZ LYS 28 -4.804 -2.987 10.081 234 HZ2 LYS 28 1HZ LYS 28 -4.221 -2.607 11.624 235 HZ3 LYS 28 2HZ LYS 28 -3.497 -3.845 10.726 236 H TYR 29 H TYR 29 1.680 -2.773 5.632 237 HA TYR 29 HA TYR 29 3.684 -0.711 6.004 238 HB2 TYR 29 2HB TYR 29 3.629 -3.431 4.870 239 HB3 TYR 29 1HB TYR 29 4.724 -2.296 4.077 240 HD1 TYR 29 1HD TYR 29 5.524 -0.550 6.221 241 HD2 TYR 29 2HD TYR 29 5.146 -4.785 6.216 242 HE1 TYR 29 1HE TYR 29 7.160 -0.662 8.009 243 HE2 TYR 29 2HE TYR 29 6.809 -4.930 8.024 244 HH TYR 29 HH TYR 29 8.638 -3.597 8.960 245 H PHE 30 H PHE 30 1.511 -1.851 3.631 246 HA PHE 30 HA PHE 30 2.528 -0.442 1.424 247 HB2 PHE 30 2HB PHE 30 -0.192 -1.593 2.101 248 HB3 PHE 30 1HB PHE 30 0.168 -0.887 0.525 249 HD1 PHE 30 2HD PHE 30 3.180 -2.213 0.958 250 HD2 PHE 30 1HD PHE 30 -0.787 -3.584 0.816 251 HE1 PHE 30 2HE PHE 30 3.978 -4.340 0.067 252 HE2 PHE 30 1HE PHE 30 -0.030 -5.751 -0.066 253 HZ PHE 30 HZ PHE 30 2.375 -6.119 -0.439 254 H LYS 31 H LYS 31 0.190 0.177 3.962 255 HA LYS 31 HA LYS 31 -0.462 2.813 3.000 256 HB2 LYS 31 2HB LYS 31 -1.872 3.015 4.907 257 HB3 LYS 31 1HB LYS 31 -2.063 1.366 4.325 258 HG2 LYS 31 2HG LYS 31 -0.419 0.654 6.085 259 HG3 LYS 31 1HG LYS 31 -0.481 2.301 6.715 260 HD2 LYS 31 2HD LYS 31 -2.976 0.679 6.320 261 HD3 LYS 31 1HD LYS 31 -2.010 0.540 7.790 262 HE2 LYS 31 2HE LYS 31 -2.352 3.295 7.291 263 HE3 LYS 31 1HE LYS 31 -3.929 2.537 7.070 264 HZ1 LYS 31 3HZ LYS 31 -3.498 1.424 9.278 265 HZ2 LYS 31 1HZ LYS 31 -3.790 3.090 9.330 266 HZ3 LYS 31 2HZ LYS 31 -2.212 2.503 9.482 267 H LEU 32 H LEU 32 1.943 1.278 4.933 268 HA LEU 32 HA LEU 32 2.710 3.561 6.486 269 HB2 LEU 32 2HB LEU 32 3.407 0.918 6.504 270 HB3 LEU 32 1HB LEU 32 4.861 1.669 5.867 271 HG LEU 32 HG LEU 32 4.851 3.188 7.852 272 HD11 LEU 32 1HD1 LEU 32 2.295 2.438 8.207 273 HD12 LEU 32 2HD1 LEU 32 3.310 3.091 9.492 274 HD13 LEU 32 3HD1 LEU 32 3.098 1.347 9.336 275 HD21 LEU 32 3HD2 LEU 32 4.918 0.305 8.688 276 HD22 LEU 32 1HD2 LEU 32 5.919 1.638 9.251 277 HD23 LEU 32 2HD2 LEU 32 6.139 1.000 7.624 278 H ILE 33 H ILE 33 3.895 2.137 3.453 279 HA ILE 33 HA ILE 33 5.683 4.366 3.020 280 HB ILE 33 HB ILE 33 6.386 2.132 2.306 281 HG12 ILE 33 2HG1 ILE 33 7.345 2.775 0.251 282 HG13 ILE 33 1HG1 ILE 33 5.945 3.742 -0.200 283 HG21 ILE 33 1HG2 ILE 33 4.626 2.036 -0.037 284 HG22 ILE 33 2HG2 ILE 33 3.820 1.761 1.506 285 HG23 ILE 33 3HG2 ILE 33 5.176 0.741 1.026 286 HD11 ILE 33 3HD1 ILE 33 6.660 5.555 0.947 287 HD12 ILE 33 1HD1 ILE 33 8.231 4.797 0.672 288 HD13 ILE 33 2HD1 ILE 33 7.410 4.588 2.218 289 H ALA 34 H ALA 34 2.530 3.268 1.926 290 HA ALA 34 HA ALA 34 2.256 4.925 -0.319 291 HB1 ALA 34 1HB ALA 34 -0.207 4.720 0.107 292 HB2 ALA 34 2HB ALA 34 0.190 3.857 1.591 293 HB3 ALA 34 3HB ALA 34 0.656 3.183 0.031 294 H ASN 35 H ASN 35 1.984 5.547 3.094 295 HA ASN 35 HA ASN 35 0.872 8.195 2.727 296 HB2 ASN 35 2HB ASN 35 0.253 6.848 4.701 297 HB3 ASN 35 1HB ASN 35 1.935 6.846 5.222 298 HD21 ASN 35 1HD2 ASN 35 0.458 7.723 7.087 299 HD22 ASN 35 2HD2 ASN 35 0.414 9.445 7.203 300 H ALA 36 H ALA 36 3.971 6.677 3.323 301 HA ALA 36 HA ALA 36 5.359 9.130 3.876 302 HB1 ALA 36 1HB ALA 36 7.403 7.699 3.610 303 HB2 ALA 36 2HB ALA 36 6.330 6.348 3.248 304 HB3 ALA 36 3HB ALA 36 6.256 7.136 4.824 305 H LYS 37 H LYS 37 4.836 7.082 1.065 306 HA LYS 37 HA LYS 37 6.471 8.840 -0.592 307 HB2 LYS 37 2HB LYS 37 5.220 6.151 -1.089 308 HB3 LYS 37 1HB LYS 37 5.738 7.157 -2.430 309 HG2 LYS 37 2HG LYS 37 7.700 6.752 -0.266 310 HG3 LYS 37 1HG LYS 37 7.313 5.351 -1.267 311 HD2 LYS 37 2HD LYS 37 8.165 6.310 -3.177 312 HD3 LYS 37 1HD LYS 37 7.905 7.956 -2.593 313 HE2 LYS 37 2HE LYS 37 9.698 7.043 -0.778 314 HE3 LYS 37 1HE LYS 37 10.195 6.147 -2.214 315 HZ1 LYS 37 3HZ LYS 37 9.944 8.541 -3.272 316 HZ2 LYS 37 1HZ LYS 37 11.379 8.033 -2.533 317 HZ3 LYS 37 2HZ LYS 37 10.293 9.015 -1.686 318 H THR 38 H THR 38 3.181 7.473 -0.677 319 HA THR 38 HA THR 38 2.337 9.588 -2.495 320 HB THR 38 HB THR 38 0.330 7.666 -1.500 321 HG1 THR 38 1HG THR 38 1.227 5.989 -2.804 322 HG21 THR 38 3HG2 THR 38 0.967 7.763 -4.349 323 HG22 THR 38 1HG2 THR 38 0.481 9.308 -3.652 324 HG23 THR 38 2HG2 THR 38 -0.583 7.908 -3.519 325 H VAL 39 H VAL 39 -0.389 9.718 -1.703 326 HA VAL 39 HA VAL 39 -0.189 11.009 0.934 327 HB VAL 39 HB VAL 39 -1.921 12.666 0.027 328 HG11 VAL 39 1HG1 VAL 39 -0.101 14.059 -1.036 329 HG12 VAL 39 2HG1 VAL 39 0.962 12.666 -0.827 330 HG13 VAL 39 3HG1 VAL 39 0.240 13.444 0.582 331 HG21 VAL 39 3HG2 VAL 39 -0.966 11.394 -2.513 332 HG22 VAL 39 1HG2 VAL 39 -1.497 13.075 -2.484 333 HG23 VAL 39 2HG2 VAL 39 -2.611 11.791 -2.016 334 H GLU 40 H GLU 40 -2.578 9.902 -1.500 335 HA GLU 40 HA GLU 40 -3.881 8.053 0.034 336 HB2 GLU 40 2HB GLU 40 -5.969 9.466 0.657 337 HB3 GLU 40 1HB GLU 40 -4.559 9.502 1.716 338 HG2 GLU 40 2HG GLU 40 -4.021 11.654 1.158 339 HG3 GLU 40 1HG GLU 40 -4.786 11.551 -0.427 340 H GLY 41 H GLY 41 -5.543 7.104 -1.042 341 HA2 GLY 41 2HA GLY 41 -7.047 8.409 -3.100 342 HA3 GLY 41 1HA GLY 41 -5.798 7.360 -3.769 343 H VAL 42 H VAL 42 -7.613 6.150 -4.698 344 HA VAL 42 HA VAL 42 -9.383 4.749 -2.907 345 HB VAL 42 HB VAL 42 -9.996 3.454 -5.018 346 HG11 VAL 42 1HG1 VAL 42 -10.440 6.294 -5.654 347 HG12 VAL 42 2HG1 VAL 42 -10.900 5.793 -4.027 348 HG13 VAL 42 3HG1 VAL 42 -11.599 4.983 -5.429 349 HG21 VAL 42 3HG2 VAL 42 -8.897 3.758 -6.931 350 HG22 VAL 42 1HG2 VAL 42 -7.668 4.598 -5.987 351 HG23 VAL 42 2HG2 VAL 42 -8.953 5.513 -6.771 352 H TRP 43 H TRP 43 -8.471 3.298 -1.606 353 HA TRP 43 HA TRP 43 -6.226 1.706 -2.383 354 HB2 TRP 43 2HB TRP 43 -7.778 2.328 0.033 355 HB3 TRP 43 1HB TRP 43 -7.072 0.729 0.003 356 HD1 TRP 43 HD TRP 43 -6.123 4.440 0.049 357 HE1 TRP 43 1HE TRP 43 -3.671 4.677 0.762 358 HE3 TRP 43 3HE TRP 43 -4.759 -0.519 0.082 359 HZ2 TRP 43 2HZ TRP 43 -1.470 3.002 1.278 360 HZ3 TRP 43 3HZ TRP 43 -2.444 -1.060 0.704 361 HH2 TRP 43 HH TRP 43 -0.853 0.651 1.277 362 H THR 44 H THR 44 -6.223 -0.333 -3.106 363 HA THR 44 HA THR 44 -8.544 -2.048 -2.716 364 HB THR 44 HB THR 44 -8.450 -2.671 -5.191 365 HG1 THR 44 1HG THR 44 -6.513 -1.582 -5.683 366 HG21 THR 44 3HG2 THR 44 -9.326 0.164 -4.916 367 HG22 THR 44 1HG2 THR 44 -10.171 -1.115 -4.043 368 HG23 THR 44 2HG2 THR 44 -10.073 -1.163 -5.803 369 H TYR 45 H TYR 45 -8.089 -4.271 -2.924 370 HA TYR 45 HA TYR 45 -5.302 -5.000 -3.461 371 HB2 TYR 45 2HB TYR 45 -5.150 -4.891 -1.131 372 HB3 TYR 45 1HB TYR 45 -6.787 -5.506 -0.891 373 HD1 TYR 45 1HD TYR 45 -3.406 -6.527 -2.078 374 HD2 TYR 45 2HD TYR 45 -7.121 -7.767 -0.417 375 HE1 TYR 45 1HE TYR 45 -2.492 -8.783 -1.733 376 HE2 TYR 45 2HE TYR 45 -6.217 -10.026 -0.066 377 HH TYR 45 HH TYR 45 -2.977 -10.748 -0.175 378 H LYS 46 H LYS 46 -4.989 -7.015 -4.307 379 HA LYS 46 HA LYS 46 -7.432 -8.522 -4.968 380 HB2 LYS 46 2HB LYS 46 -6.103 -9.387 -6.921 381 HB3 LYS 46 1HB LYS 46 -6.471 -7.663 -6.980 382 HG2 LYS 46 2HG LYS 46 -3.978 -7.983 -5.661 383 HG3 LYS 46 1HG LYS 46 -3.948 -8.951 -7.135 384 HD2 LYS 46 2HD LYS 46 -5.113 -6.280 -7.462 385 HD3 LYS 46 1HD LYS 46 -3.409 -6.281 -7.005 386 HE2 LYS 46 2HE LYS 46 -3.121 -8.013 -8.882 387 HE3 LYS 46 1HE LYS 46 -4.710 -7.478 -9.429 388 HZ1 LYS 46 3HZ LYS 46 -2.902 -6.298 -10.542 389 HZ2 LYS 46 1HZ LYS 46 -2.350 -5.714 -9.052 390 HZ3 LYS 46 2HZ LYS 46 -3.864 -5.239 -9.638 391 H ASP 47 H ASP 47 -7.540 -10.651 -4.483 392 HA ASP 47 HA ASP 47 -5.410 -11.735 -2.820 393 HB2 ASP 47 2HB ASP 47 -7.733 -11.912 -2.033 394 HB3 ASP 47 1HB ASP 47 -8.150 -12.851 -3.467 395 H GLU 48 H GLU 48 -6.828 -12.181 -5.961 396 HA GLU 48 HA GLU 48 -6.097 -14.725 -6.651 397 HB2 GLU 48 2HB GLU 48 -6.319 -12.181 -8.189 398 HB3 GLU 48 1HB GLU 48 -5.630 -13.578 -8.988 399 HG2 GLU 48 2HG GLU 48 -7.640 -14.414 -9.361 400 HG3 GLU 48 1HG GLU 48 -8.015 -14.368 -7.640 401 H ILE 49 H ILE 49 -4.030 -11.919 -6.315 402 HA ILE 49 HA ILE 49 -1.701 -13.666 -6.586 403 HB ILE 49 HB ILE 49 -0.521 -11.798 -7.838 404 HG12 ILE 49 2HG1 ILE 49 -2.356 -10.122 -7.387 405 HG13 ILE 49 1HG1 ILE 49 -1.813 -10.208 -9.058 406 HG21 ILE 49 1HG2 ILE 49 -0.768 -13.568 -9.211 407 HG22 ILE 49 2HG2 ILE 49 -1.914 -12.498 -10.019 408 HG23 ILE 49 3HG2 ILE 49 -2.495 -13.721 -8.887 409 HD11 ILE 49 3HD1 ILE 49 -4.436 -10.693 -7.921 410 HD12 ILE 49 1HD1 ILE 49 -3.905 -11.995 -8.986 411 HD13 ILE 49 2HD1 ILE 49 -3.967 -10.337 -9.583 412 H LYS 50 H LYS 50 -3.254 -11.920 -4.504 413 HA LYS 50 HA LYS 50 -2.777 -10.567 -2.726 414 HB2 LYS 50 2HB LYS 50 -0.010 -11.743 -2.806 415 HB3 LYS 50 1HB LYS 50 -0.968 -11.287 -1.404 416 HG2 LYS 50 2HG LYS 50 -2.482 -13.232 -2.698 417 HG3 LYS 50 1HG LYS 50 -0.819 -13.802 -2.789 418 HD2 LYS 50 2HD LYS 50 -0.575 -13.611 -0.397 419 HD3 LYS 50 1HD LYS 50 -2.175 -12.882 -0.258 420 HE2 LYS 50 2HE LYS 50 -2.814 -14.990 0.209 421 HE3 LYS 50 1HE LYS 50 -2.793 -15.170 -1.544 422 HZ1 LYS 50 3HZ LYS 50 -0.992 -16.262 0.454 423 HZ2 LYS 50 1HZ LYS 50 -0.256 -15.708 -0.965 424 HZ3 LYS 50 2HZ LYS 50 -1.460 -16.895 -1.044 425 H THR 51 H THR 51 -2.852 -8.681 -4.188 426 HA THR 51 HA THR 51 -0.345 -7.206 -4.013 427 HB THR 51 HB THR 51 -1.907 -7.535 -6.581 428 HG1 THR 51 1HG THR 51 0.719 -8.273 -5.818 429 HG21 THR 51 3HG2 THR 51 -0.418 -5.298 -5.788 430 HG22 THR 51 1HG2 THR 51 -1.026 -5.685 -7.397 431 HG23 THR 51 2HG2 THR 51 0.592 -6.196 -6.921 432 H PHE 52 H PHE 52 -0.645 -5.220 -3.295 433 HA PHE 52 HA PHE 52 -3.376 -4.185 -3.143 434 HB2 PHE 52 2HB PHE 52 -0.993 -4.004 -1.490 435 HB3 PHE 52 1HB PHE 52 -1.738 -2.438 -1.733 436 HD1 PHE 52 1HD PHE 52 -2.130 -5.777 -0.296 437 HD2 PHE 52 2HD PHE 52 -3.912 -1.952 -0.836 438 HE1 PHE 52 1HE PHE 52 -3.782 -6.306 1.450 439 HE2 PHE 52 2HE PHE 52 -5.570 -2.471 0.910 440 HZ PHE 52 HZ PHE 52 -5.505 -4.651 2.054 441 H THR 53 H THR 53 -3.967 -2.239 -3.982 442 HA THR 53 HA THR 53 -1.981 -0.663 -5.436 443 HB THR 53 HB THR 53 -4.505 -1.675 -6.749 444 HG1 THR 53 1HG THR 53 -3.125 -2.971 -7.951 445 HG21 THR 53 3HG2 THR 53 -3.160 0.576 -7.411 446 HG22 THR 53 1HG2 THR 53 -4.071 -0.422 -8.545 447 HG23 THR 53 2HG2 THR 53 -2.325 -0.627 -8.394 448 H VAL 54 H VAL 54 -2.400 1.481 -5.565 449 HA VAL 54 HA VAL 54 -5.006 2.409 -4.554 450 HB VAL 54 HB VAL 54 -2.584 2.788 -3.217 451 HG11 VAL 54 1HG1 VAL 54 -1.905 4.523 -4.831 452 HG12 VAL 54 2HG1 VAL 54 -2.221 5.226 -3.242 453 HG13 VAL 54 3HG1 VAL 54 -3.411 5.393 -4.533 454 HG21 VAL 54 3HG2 VAL 54 -5.253 4.187 -3.043 455 HG22 VAL 54 1HG2 VAL 54 -3.978 4.404 -1.845 456 HG23 VAL 54 2HG2 VAL 54 -4.688 2.809 -2.102 457 H THR 55 H THR 55 -6.078 3.601 -5.971 458 HA THR 55 HA THR 55 -4.613 4.753 -8.232 459 HB THR 55 HB THR 55 -7.510 4.946 -8.397 460 HG1 THR 55 1HG THR 55 -7.865 2.699 -8.525 461 HG21 THR 55 3HG2 THR 55 -7.110 4.587 -10.542 462 HG22 THR 55 1HG2 THR 55 -6.276 3.070 -10.204 463 HG23 THR 55 2HG2 THR 55 -5.392 4.595 -10.145 464 H GLU 56 H GLU 56 -4.328 6.866 -8.445 465 HA GLU 56 HA GLU 56 -4.199 9.052 -7.761 466 HB2 GLU 56 2HB GLU 56 -6.449 10.200 -7.986 467 HB3 GLU 56 1HB GLU 56 -5.900 9.276 -9.376 468 HG2 GLU 56 2HG GLU 56 -7.353 7.416 -8.684 469 HG3 GLU 56 1HG GLU 56 -7.935 8.398 -7.340 Start of MODEL 12 1 H1 THR 1 1HT THR 1 1.915 -16.021 1.465 2 H2 THR 1 2HT THR 1 2.180 -15.223 -0.030 3 H3 THR 1 3HT THR 1 2.031 -14.310 1.415 4 HA THR 1 HA THR 1 4.009 -15.387 2.266 5 HB THR 1 HB THR 1 3.776 -17.399 0.834 6 HG1 THR 1 1HG THR 1 5.846 -16.653 1.748 7 HG21 THR 1 3HG2 THR 1 3.193 -16.309 -1.286 8 HG22 THR 1 1HG2 THR 1 4.558 -17.412 -1.442 9 HG23 THR 1 2HG2 THR 1 4.836 -15.677 -1.390 10 H THR 2 H THR 2 3.477 -14.110 -1.009 11 HA THR 2 HA THR 2 5.370 -11.950 -0.376 12 HB THR 2 HB THR 2 5.069 -13.094 -3.143 13 HG1 THR 2 1HG THR 2 7.001 -13.796 -1.186 14 HG21 THR 2 3HG2 THR 2 6.140 -11.073 -3.371 15 HG22 THR 2 1HG2 THR 2 7.488 -12.201 -3.222 16 HG23 THR 2 2HG2 THR 2 6.991 -11.228 -1.835 17 H TYR 3 H TYR 3 4.466 -10.012 -0.501 18 HA TYR 3 HA TYR 3 1.996 -9.711 -2.075 19 HB2 TYR 3 2HB TYR 3 2.966 -8.458 0.467 20 HB3 TYR 3 1HB TYR 3 1.843 -7.577 -0.565 21 HD1 TYR 3 1HD TYR 3 1.807 -11.246 -0.084 22 HD2 TYR 3 2HD TYR 3 0.009 -7.516 0.885 23 HE1 TYR 3 1HE TYR 3 -0.095 -12.436 0.923 24 HE2 TYR 3 2HE TYR 3 -1.903 -8.695 1.896 25 HH TYR 3 HH TYR 3 -1.857 -12.024 2.577 26 H LYS 4 H LYS 4 1.658 -7.763 -3.258 27 HA LYS 4 HA LYS 4 4.079 -6.192 -3.812 28 HB2 LYS 4 2HB LYS 4 2.915 -8.047 -5.585 29 HB3 LYS 4 1HB LYS 4 2.479 -6.452 -6.193 30 HG2 LYS 4 2HG LYS 4 4.484 -6.281 -7.104 31 HG3 LYS 4 1HG LYS 4 5.202 -6.326 -5.493 32 HD2 LYS 4 2HD LYS 4 5.886 -8.458 -5.727 33 HD3 LYS 4 1HD LYS 4 4.403 -8.946 -6.549 34 HE2 LYS 4 2HE LYS 4 6.116 -9.196 -8.144 35 HE3 LYS 4 1HE LYS 4 5.289 -7.700 -8.574 36 HZ1 LYS 4 3HZ LYS 4 7.589 -7.501 -6.783 37 HZ2 LYS 4 1HZ LYS 4 7.066 -6.442 -7.995 38 HZ3 LYS 4 2HZ LYS 4 7.902 -7.853 -8.408 39 H LEU 5 H LEU 5 3.778 -4.040 -4.131 40 HA LEU 5 HA LEU 5 1.005 -3.039 -3.989 41 HB2 LEU 5 2HB LEU 5 2.484 -2.607 -1.929 42 HB3 LEU 5 1HB LEU 5 3.448 -1.591 -3.006 43 HG LEU 5 HG LEU 5 1.715 -0.025 -3.302 44 HD11 LEU 5 1HD1 LEU 5 -0.431 -0.777 -1.722 45 HD12 LEU 5 2HD1 LEU 5 -0.001 -2.235 -2.613 46 HD13 LEU 5 3HD1 LEU 5 -0.368 -0.748 -3.483 47 HD21 LEU 5 3HD2 LEU 5 2.190 -0.899 -0.500 48 HD22 LEU 5 1HD2 LEU 5 1.010 0.374 -0.808 49 HD23 LEU 5 2HD2 LEU 5 2.685 0.578 -1.323 50 H ILE 6 H ILE 6 0.427 -1.321 -5.215 51 HA ILE 6 HA ILE 6 2.468 -0.120 -6.910 52 HB ILE 6 HB ILE 6 -0.185 -1.133 -7.968 53 HG12 ILE 6 2HG1 ILE 6 1.396 -2.483 -9.474 54 HG13 ILE 6 1HG1 ILE 6 2.655 -2.083 -8.310 55 HG21 ILE 6 1HG2 ILE 6 1.183 -0.455 -10.167 56 HG22 ILE 6 2HG2 ILE 6 1.835 0.736 -9.042 57 HG23 ILE 6 3HG2 ILE 6 0.097 0.653 -9.328 58 HD11 ILE 6 3HD1 ILE 6 2.026 -3.779 -7.050 59 HD12 ILE 6 1HD1 ILE 6 0.766 -4.178 -8.216 60 HD13 ILE 6 2HD1 ILE 6 0.416 -3.077 -6.884 61 H LEU 7 H LEU 7 2.392 1.993 -6.516 62 HA LEU 7 HA LEU 7 -0.127 3.164 -5.589 63 HB2 LEU 7 2HB LEU 7 2.613 4.413 -5.498 64 HB3 LEU 7 1HB LEU 7 1.168 4.941 -4.646 65 HG LEU 7 HG LEU 7 1.256 2.696 -3.426 66 HD11 LEU 7 1HD1 LEU 7 3.706 2.561 -5.050 67 HD12 LEU 7 2HD1 LEU 7 2.718 1.271 -4.372 68 HD13 LEU 7 3HD1 LEU 7 3.886 2.113 -3.355 69 HD21 LEU 7 3HD2 LEU 7 3.006 3.529 -1.861 70 HD22 LEU 7 1HD2 LEU 7 1.796 4.736 -2.295 71 HD23 LEU 7 2HD2 LEU 7 3.394 4.783 -3.038 72 H ASN 8 H ASN 8 -1.215 4.642 -6.700 73 HA ASN 8 HA ASN 8 0.084 5.865 -9.046 74 HB2 ASN 8 2HB ASN 8 -2.236 4.102 -8.988 75 HB3 ASN 8 1HB ASN 8 -2.599 5.648 -9.755 76 HD21 ASN 8 1HD2 ASN 8 0.460 3.894 -9.714 77 HD22 ASN 8 2HD2 ASN 8 0.543 3.644 -11.421 78 H LEU 9 H LEU 9 0.291 7.930 -8.410 79 HA LEU 9 HA LEU 9 -2.073 9.249 -7.239 80 HB2 LEU 9 2HB LEU 9 -0.667 10.676 -6.020 81 HB3 LEU 9 1HB LEU 9 0.127 9.108 -5.892 82 HG LEU 9 HG LEU 9 0.953 11.179 -7.926 83 HD11 LEU 9 1HD1 LEU 9 2.876 11.524 -6.276 84 HD12 LEU 9 2HD1 LEU 9 1.796 10.822 -5.072 85 HD13 LEU 9 3HD1 LEU 9 1.335 12.301 -5.915 86 HD21 LEU 9 3HD2 LEU 9 3.110 9.619 -7.215 87 HD22 LEU 9 1HD2 LEU 9 2.130 9.434 -8.668 88 HD23 LEU 9 2HD2 LEU 9 1.771 8.473 -7.234 89 H LYS 10 H LYS 10 0.475 9.526 -9.665 90 HA LYS 10 HA LYS 10 -1.105 10.909 -11.495 91 HB2 LYS 10 2HB LYS 10 0.115 12.598 -9.462 92 HB3 LYS 10 1HB LYS 10 0.607 13.059 -11.082 93 HG2 LYS 10 2HG LYS 10 -2.166 12.625 -11.198 94 HG3 LYS 10 1HG LYS 10 -1.862 13.551 -9.731 95 HD2 LYS 10 2HD LYS 10 -1.211 15.392 -10.862 96 HD3 LYS 10 1HD LYS 10 -0.389 14.456 -12.112 97 HE2 LYS 10 2HE LYS 10 -2.325 15.697 -12.986 98 HE3 LYS 10 1HE LYS 10 -2.504 13.954 -13.174 99 HZ1 LYS 10 3HZ LYS 10 -4.555 14.787 -12.401 100 HZ2 LYS 10 1HZ LYS 10 -3.824 15.707 -11.183 101 HZ3 LYS 10 2HZ LYS 10 -3.836 14.019 -11.077 102 H GLN 11 H GLN 11 -0.158 9.636 -13.013 103 HA GLN 11 HA GLN 11 1.405 8.821 -14.460 104 HB2 GLN 11 2HB GLN 11 1.808 11.692 -14.169 105 HB3 GLN 11 1HB GLN 11 3.237 10.852 -14.775 106 HG2 GLN 11 2HG GLN 11 2.350 10.736 -16.796 107 HG3 GLN 11 1HG GLN 11 0.947 9.882 -16.163 108 HE21 GLN 11 1HE2 GLN 11 -0.524 11.505 -14.856 109 HE22 GLN 11 2HE2 GLN 11 -0.943 12.932 -15.737 110 H ALA 12 H ALA 12 1.954 8.591 -11.501 111 HA ALA 12 HA ALA 12 4.793 7.887 -11.765 112 HB1 ALA 12 1HB ALA 12 5.472 9.084 -9.992 113 HB2 ALA 12 2HB ALA 12 3.994 8.766 -9.085 114 HB3 ALA 12 3HB ALA 12 4.022 10.039 -10.306 115 H LYS 13 H LYS 13 4.909 5.754 -11.569 116 HA LYS 13 HA LYS 13 3.021 4.385 -9.788 117 HB2 LYS 13 2HB LYS 13 3.731 2.313 -11.076 118 HB3 LYS 13 1HB LYS 13 2.904 3.525 -12.052 119 HG2 LYS 13 2HG LYS 13 5.823 3.793 -11.977 120 HG3 LYS 13 1HG LYS 13 5.227 2.311 -12.728 121 HD2 LYS 13 2HD LYS 13 3.857 4.809 -13.504 122 HD3 LYS 13 1HD LYS 13 5.523 4.634 -14.047 123 HE2 LYS 13 2HE LYS 13 3.919 2.223 -14.411 124 HE3 LYS 13 1HE LYS 13 3.307 3.613 -15.305 125 HZ1 LYS 13 3HZ LYS 13 5.193 2.013 -16.246 126 HZ2 LYS 13 1HZ LYS 13 6.177 3.138 -15.451 127 HZ3 LYS 13 2HZ LYS 13 5.105 3.653 -16.657 128 H GLU 14 H GLU 14 3.732 3.659 -7.919 129 HA GLU 14 HA GLU 14 6.624 3.230 -7.561 130 HB2 GLU 14 2HB GLU 14 4.596 4.557 -5.926 131 HB3 GLU 14 1HB GLU 14 5.524 3.362 -5.017 132 HG2 GLU 14 2HG GLU 14 6.900 5.404 -6.719 133 HG3 GLU 14 1HG GLU 14 6.347 5.799 -5.093 134 H GLU 15 H GLU 15 7.265 1.458 -6.147 135 HA GLU 15 HA GLU 15 5.279 -0.718 -6.131 136 HB2 GLU 15 2HB GLU 15 8.233 -0.815 -6.720 137 HB3 GLU 15 1HB GLU 15 7.282 -2.251 -6.371 138 HG2 GLU 15 2HG GLU 15 5.870 -1.807 -8.297 139 HG3 GLU 15 1HG GLU 15 6.775 -0.333 -8.633 140 H ALA 16 H ALA 16 5.588 -2.379 -4.516 141 HA ALA 16 HA ALA 16 7.319 -1.988 -2.289 142 HB1 ALA 16 1HB ALA 16 5.925 -1.072 -0.712 143 HB2 ALA 16 2HB ALA 16 4.499 -1.878 -1.369 144 HB3 ALA 16 3HB ALA 16 5.105 -0.404 -2.127 145 H ILE 17 H ILE 17 7.433 -3.845 -1.065 146 HA ILE 17 HA ILE 17 5.502 -5.976 -1.629 147 HB ILE 17 HB ILE 17 7.478 -7.592 -1.639 148 HG12 ILE 17 2HG1 ILE 17 9.426 -6.251 -2.934 149 HG13 ILE 17 1HG1 ILE 17 8.857 -4.969 -1.872 150 HG21 ILE 17 1HG2 ILE 17 7.330 -7.717 -3.909 151 HG22 ILE 17 2HG2 ILE 17 7.519 -5.977 -4.129 152 HG23 ILE 17 3HG2 ILE 17 5.973 -6.636 -3.594 153 HD11 ILE 17 3HD1 ILE 17 10.062 -7.609 -1.133 154 HD12 ILE 17 1HD1 ILE 17 9.150 -6.643 0.026 155 HD13 ILE 17 2HD1 ILE 17 10.607 -5.986 -0.716 156 H LYS 18 H LYS 18 5.158 -7.429 -0.016 157 HA LYS 18 HA LYS 18 6.783 -7.231 2.397 158 HB2 LYS 18 2HB LYS 18 3.781 -7.116 2.594 159 HB3 LYS 18 1HB LYS 18 4.972 -6.750 3.839 160 HG2 LYS 18 2HG LYS 18 4.662 -5.149 1.333 161 HG3 LYS 18 1HG LYS 18 3.807 -4.772 2.822 162 HD2 LYS 18 2HD LYS 18 5.742 -4.112 3.907 163 HD3 LYS 18 1HD LYS 18 6.777 -5.106 2.884 164 HE2 LYS 18 2HE LYS 18 6.192 -3.553 0.986 165 HE3 LYS 18 1HE LYS 18 5.445 -2.499 2.186 166 HZ1 LYS 18 3HZ LYS 18 7.814 -2.856 3.302 167 HZ2 LYS 18 1HZ LYS 18 7.507 -1.614 2.195 168 HZ3 LYS 18 2HZ LYS 18 8.262 -3.037 1.681 169 H GLU 19 H GLU 19 7.307 -9.192 3.059 170 HA GLU 19 HA GLU 19 5.787 -11.475 2.103 171 HB2 GLU 19 2HB GLU 19 8.508 -11.062 3.257 172 HB3 GLU 19 1HB GLU 19 7.767 -12.651 3.425 173 HG2 GLU 19 2HG GLU 19 8.808 -13.005 1.461 174 HG3 GLU 19 1HG GLU 19 7.338 -12.270 0.822 175 H ALA 20 H ALA 20 4.250 -12.380 3.291 176 HA ALA 20 HA ALA 20 4.586 -12.786 6.120 177 HB1 ALA 20 1HB ALA 20 2.097 -11.298 5.481 178 HB2 ALA 20 2HB ALA 20 3.601 -10.388 5.633 179 HB3 ALA 20 3HB ALA 20 3.023 -11.368 6.980 180 H VAL 21 H VAL 21 2.271 -13.597 6.989 181 HA VAL 21 HA VAL 21 1.522 -15.748 5.151 182 HB VAL 21 HB VAL 21 2.301 -16.404 7.395 183 HG11 VAL 21 1HG1 VAL 21 0.937 -14.238 8.315 184 HG12 VAL 21 2HG1 VAL 21 1.511 -15.572 9.323 185 HG13 VAL 21 3HG1 VAL 21 -0.159 -15.548 8.752 186 HG21 VAL 21 3HG2 VAL 21 0.259 -17.465 5.997 187 HG22 VAL 21 1HG2 VAL 21 -0.552 -17.136 7.528 188 HG23 VAL 21 2HG2 VAL 21 0.883 -18.153 7.495 189 H ASP 22 H ASP 22 0.240 -12.992 6.840 190 HA ASP 22 HA ASP 22 -2.469 -13.643 5.947 191 HB2 ASP 22 2HB ASP 22 -1.659 -12.810 8.380 192 HB3 ASP 22 1HB ASP 22 -1.978 -11.249 7.630 193 H ALA 23 H ALA 23 -3.169 -10.746 6.157 194 HA ALA 23 HA ALA 23 -1.822 -9.700 3.771 195 HB1 ALA 23 1HB ALA 23 -4.125 -10.865 3.374 196 HB2 ALA 23 2HB ALA 23 -3.759 -9.333 2.582 197 HB3 ALA 23 3HB ALA 23 -4.777 -9.360 4.022 198 H GLY 24 H GLY 24 -3.969 -9.027 6.509 199 HA2 GLY 24 2HA GLY 24 -4.109 -6.279 6.378 200 HA3 GLY 24 1HA GLY 24 -4.116 -7.189 7.879 201 H ILE 25 H ILE 25 -1.389 -8.249 7.229 202 HA ILE 25 HA ILE 25 0.096 -6.264 8.615 203 HB ILE 25 HB ILE 25 0.912 -8.832 7.260 204 HG12 ILE 25 2HG1 ILE 25 -0.346 -9.136 9.305 205 HG13 ILE 25 1HG1 ILE 25 1.340 -9.530 9.616 206 HG21 ILE 25 1HG2 ILE 25 3.116 -8.543 8.385 207 HG22 ILE 25 2HG2 ILE 25 2.656 -6.881 8.758 208 HG23 ILE 25 3HG2 ILE 25 2.823 -7.394 7.079 209 HD11 ILE 25 3HD1 ILE 25 -0.349 -7.473 10.785 210 HD12 ILE 25 1HD1 ILE 25 1.225 -6.874 10.260 211 HD13 ILE 25 2HD1 ILE 25 1.127 -8.219 11.397 212 H ALA 26 H ALA 26 0.076 -7.379 5.235 213 HA ALA 26 HA ALA 26 2.179 -5.722 4.388 214 HB1 ALA 26 1HB ALA 26 1.489 -6.170 2.135 215 HB2 ALA 26 2HB ALA 26 -0.081 -6.755 2.699 216 HB3 ALA 26 3HB ALA 26 1.388 -7.652 3.092 217 H GLU 27 H GLU 27 -1.359 -5.244 4.233 218 HA GLU 27 HA GLU 27 -1.334 -2.793 2.921 219 HB2 GLU 27 2HB GLU 27 -3.488 -2.282 3.992 220 HB3 GLU 27 1HB GLU 27 -3.456 -3.914 3.344 221 HG2 GLU 27 2HG GLU 27 -2.845 -4.663 5.674 222 HG3 GLU 27 1HG GLU 27 -3.263 -3.037 6.205 223 H LYS 28 H LYS 28 -0.679 -3.588 6.258 224 HA LYS 28 HA LYS 28 -0.715 -0.976 7.316 225 HB2 LYS 28 2HB LYS 28 0.933 -3.359 8.189 226 HB3 LYS 28 1HB LYS 28 0.675 -1.901 9.133 227 HG2 LYS 28 2HG LYS 28 -1.809 -3.129 8.254 228 HG3 LYS 28 1HG LYS 28 -0.824 -4.197 9.255 229 HD2 LYS 28 2HD LYS 28 -2.187 -3.027 10.772 230 HD3 LYS 28 1HD LYS 28 -0.615 -2.229 10.861 231 HE2 LYS 28 2HE LYS 28 -1.404 -0.473 9.370 232 HE3 LYS 28 1HE LYS 28 -2.962 -1.284 9.219 233 HZ1 LYS 28 3HZ LYS 28 -2.789 -1.048 11.859 234 HZ2 LYS 28 1HZ LYS 28 -3.507 0.122 10.870 235 HZ3 LYS 28 2HZ LYS 28 -1.913 0.324 11.398 236 H TYR 29 H TYR 29 1.749 -2.854 5.642 237 HA TYR 29 HA TYR 29 3.776 -0.829 6.028 238 HB2 TYR 29 2HB TYR 29 3.673 -3.525 4.862 239 HB3 TYR 29 1HB TYR 29 4.733 -2.399 4.015 240 HD1 TYR 29 1HD TYR 29 5.668 -0.656 6.080 241 HD2 TYR 29 2HD TYR 29 5.223 -4.883 6.163 242 HE1 TYR 29 1HE TYR 29 7.389 -0.768 7.775 243 HE2 TYR 29 2HE TYR 29 6.982 -5.027 7.884 244 HH TYR 29 HH TYR 29 8.174 -2.265 9.530 245 H PHE 30 H PHE 30 1.598 -1.894 3.624 246 HA PHE 30 HA PHE 30 2.620 -0.481 1.434 247 HB2 PHE 30 2HB PHE 30 -0.122 -1.577 2.120 248 HB3 PHE 30 1HB PHE 30 0.248 -0.874 0.545 249 HD1 PHE 30 2HD PHE 30 3.231 -2.247 0.951 250 HD2 PHE 30 1HD PHE 30 -0.758 -3.562 0.841 251 HE1 PHE 30 2HE PHE 30 3.992 -4.382 0.045 252 HE2 PHE 30 1HE PHE 30 -0.037 -5.737 -0.050 253 HZ PHE 30 HZ PHE 30 2.359 -6.137 -0.447 254 H LYS 31 H LYS 31 0.246 0.179 3.939 255 HA LYS 31 HA LYS 31 -0.359 2.815 2.984 256 HB2 LYS 31 2HB LYS 31 -1.688 3.067 4.957 257 HB3 LYS 31 1HB LYS 31 -1.949 1.433 4.362 258 HG2 LYS 31 2HG LYS 31 -0.328 0.612 6.060 259 HG3 LYS 31 1HG LYS 31 -0.201 2.259 6.679 260 HD2 LYS 31 2HD LYS 31 -1.762 1.094 8.056 261 HD3 LYS 31 1HD LYS 31 -2.677 2.219 7.052 262 HE2 LYS 31 2HE LYS 31 -2.685 0.002 5.490 263 HE3 LYS 31 1HE LYS 31 -2.686 -0.721 7.097 264 HZ1 LYS 31 3HZ LYS 31 -4.755 0.016 7.522 265 HZ2 LYS 31 1HZ LYS 31 -4.891 0.052 5.836 266 HZ3 LYS 31 2HZ LYS 31 -4.547 1.473 6.689 267 H LEU 32 H LEU 32 2.092 1.293 4.871 268 HA LEU 32 HA LEU 32 2.904 3.517 6.445 269 HB2 LEU 32 2HB LEU 32 3.905 0.893 5.876 270 HB3 LEU 32 1HB LEU 32 5.221 2.053 5.808 271 HG LEU 32 HG LEU 32 4.790 2.775 8.058 272 HD11 LEU 32 1HD1 LEU 32 2.897 2.467 9.197 273 HD12 LEU 32 2HD1 LEU 32 2.785 0.768 8.736 274 HD13 LEU 32 3HD1 LEU 32 2.200 2.019 7.641 275 HD21 LEU 32 3HD2 LEU 32 6.093 0.662 7.589 276 HD22 LEU 32 1HD2 LEU 32 4.665 -0.226 8.102 277 HD23 LEU 32 2HD2 LEU 32 5.480 0.853 9.232 278 H ILE 33 H ILE 33 4.196 2.282 3.352 279 HA ILE 33 HA ILE 33 5.719 4.691 2.947 280 HB ILE 33 HB ILE 33 6.631 2.583 2.144 281 HG12 ILE 33 2HG1 ILE 33 7.428 3.343 0.063 282 HG13 ILE 33 1HG1 ILE 33 5.908 4.139 -0.328 283 HG21 ILE 33 1HG2 ILE 33 4.646 1.351 1.653 284 HG22 ILE 33 2HG2 ILE 33 5.589 1.472 0.167 285 HG23 ILE 33 3HG2 ILE 33 4.177 2.502 0.402 286 HD11 ILE 33 3HD1 ILE 33 7.345 5.158 2.037 287 HD12 ILE 33 1HD1 ILE 33 6.463 6.030 0.781 288 HD13 ILE 33 2HD1 ILE 33 8.099 5.445 0.469 289 H ALA 34 H ALA 34 2.703 3.295 1.721 290 HA ALA 34 HA ALA 34 2.272 5.086 -0.391 291 HB1 ALA 34 1HB ALA 34 0.356 3.571 1.357 292 HB2 ALA 34 2HB ALA 34 0.894 3.161 -0.269 293 HB3 ALA 34 3HB ALA 34 -0.170 4.545 -0.014 294 H ASN 35 H ASN 35 1.757 5.358 3.058 295 HA ASN 35 HA ASN 35 0.304 7.836 2.891 296 HB2 ASN 35 2HB ASN 35 -0.019 6.280 4.785 297 HB3 ASN 35 1HB ASN 35 1.656 6.526 5.266 298 HD21 ASN 35 1HD2 ASN 35 -1.512 7.939 5.072 299 HD22 ASN 35 2HD2 ASN 35 -1.206 9.268 6.134 300 H ALA 36 H ALA 36 3.618 6.806 3.257 301 HA ALA 36 HA ALA 36 4.601 9.439 3.916 302 HB1 ALA 36 1HB ALA 36 5.946 6.819 3.310 303 HB2 ALA 36 2HB ALA 36 5.849 7.674 4.850 304 HB3 ALA 36 3HB ALA 36 6.847 8.313 3.543 305 H LYS 37 H LYS 37 4.037 7.553 1.063 306 HA LYS 37 HA LYS 37 5.672 9.285 -0.605 307 HB2 LYS 37 2HB LYS 37 4.059 6.810 -1.179 308 HB3 LYS 37 1HB LYS 37 4.590 7.855 -2.483 309 HG2 LYS 37 2HG LYS 37 6.814 7.362 -0.791 310 HG3 LYS 37 1HG LYS 37 6.033 5.824 -1.156 311 HD2 LYS 37 2HD LYS 37 7.029 5.835 -3.144 312 HD3 LYS 37 1HD LYS 37 6.094 7.270 -3.569 313 HE2 LYS 37 2HE LYS 37 7.862 8.632 -3.340 314 HE3 LYS 37 1HE LYS 37 8.416 7.821 -1.875 315 HZ1 LYS 37 3HZ LYS 37 9.181 5.988 -3.437 316 HZ2 LYS 37 1HZ LYS 37 10.072 7.426 -3.447 317 HZ3 LYS 37 2HZ LYS 37 8.971 7.106 -4.690 318 H THR 38 H THR 38 2.244 8.313 -0.489 319 HA THR 38 HA THR 38 1.547 10.786 -1.914 320 HB THR 38 HB THR 38 -0.579 8.806 -1.448 321 HG1 THR 38 1HG THR 38 0.567 7.164 -2.035 322 HG21 THR 38 3HG2 THR 38 -1.235 10.313 -3.023 323 HG22 THR 38 1HG2 THR 38 -0.565 9.052 -4.056 324 HG23 THR 38 2HG2 THR 38 0.387 10.491 -3.691 325 H VAL 39 H VAL 39 -1.150 10.922 -1.169 326 HA VAL 39 HA VAL 39 -0.948 11.575 1.699 327 HB VAL 39 HB VAL 39 -2.560 13.410 1.281 328 HG11 VAL 39 1HG1 VAL 39 0.029 13.505 -0.262 329 HG12 VAL 39 2HG1 VAL 39 -0.226 13.956 1.424 330 HG13 VAL 39 3HG1 VAL 39 -0.949 14.919 0.135 331 HG21 VAL 39 3HG2 VAL 39 -2.826 14.170 -1.090 332 HG22 VAL 39 1HG2 VAL 39 -3.657 12.664 -0.702 333 HG23 VAL 39 2HG2 VAL 39 -2.138 12.627 -1.598 334 H GLU 40 H GLU 40 -3.183 10.654 -0.914 335 HA GLU 40 HA GLU 40 -4.521 8.728 0.595 336 HB2 GLU 40 2HB GLU 40 -5.377 10.611 1.894 337 HB3 GLU 40 1HB GLU 40 -5.974 11.376 0.421 338 HG2 GLU 40 2HG GLU 40 -7.686 9.831 0.166 339 HG3 GLU 40 1HG GLU 40 -6.907 8.647 1.214 340 H GLY 41 H GLY 41 -5.844 7.518 -0.649 341 HA2 GLY 41 2HA GLY 41 -7.015 8.495 -3.093 342 HA3 GLY 41 1HA GLY 41 -5.631 7.440 -3.373 343 H VAL 42 H VAL 42 -7.619 6.348 -4.486 344 HA VAL 42 HA VAL 42 -9.356 4.874 -2.722 345 HB VAL 42 HB VAL 42 -9.961 3.632 -4.879 346 HG11 VAL 42 1HG1 VAL 42 -11.192 5.569 -3.817 347 HG12 VAL 42 2HG1 VAL 42 -11.459 5.333 -5.544 348 HG13 VAL 42 3HG1 VAL 42 -10.377 6.609 -4.986 349 HG21 VAL 42 3HG2 VAL 42 -8.908 5.857 -6.471 350 HG22 VAL 42 1HG2 VAL 42 -9.001 4.136 -6.844 351 HG23 VAL 42 2HG2 VAL 42 -7.682 4.754 -5.851 352 H TRP 43 H TRP 43 -8.434 3.376 -1.485 353 HA TRP 43 HA TRP 43 -6.185 1.828 -2.344 354 HB2 TRP 43 2HB TRP 43 -7.690 2.380 0.113 355 HB3 TRP 43 1HB TRP 43 -6.997 0.776 0.027 356 HD1 TRP 43 HD TRP 43 -6.007 4.481 0.109 357 HE1 TRP 43 1HE TRP 43 -3.545 4.680 0.800 358 HE3 TRP 43 3HE TRP 43 -4.708 -0.498 0.103 359 HZ2 TRP 43 2HZ TRP 43 -1.366 2.975 1.290 360 HZ3 TRP 43 3HZ TRP 43 -2.399 -1.073 0.701 361 HH2 TRP 43 HH TRP 43 -0.779 0.616 1.272 362 H THR 44 H THR 44 -6.160 -0.221 -3.057 363 HA THR 44 HA THR 44 -8.492 -1.933 -2.731 364 HB THR 44 HB THR 44 -8.336 -2.531 -5.214 365 HG1 THR 44 1HG THR 44 -6.397 -1.415 -5.643 366 HG21 THR 44 3HG2 THR 44 -10.228 -1.264 -4.351 367 HG22 THR 44 1HG2 THR 44 -9.758 -0.714 -5.958 368 HG23 THR 44 2HG2 THR 44 -9.314 0.232 -4.537 369 H TYR 45 H TYR 45 -8.041 -4.176 -3.090 370 HA TYR 45 HA TYR 45 -5.219 -4.863 -3.474 371 HB2 TYR 45 2HB TYR 45 -5.199 -4.895 -1.149 372 HB3 TYR 45 1HB TYR 45 -6.860 -5.477 -1.031 373 HD1 TYR 45 2HD TYR 45 -3.402 -6.497 -1.923 374 HD2 TYR 45 1HD TYR 45 -7.306 -7.778 -0.815 375 HE1 TYR 45 2HE TYR 45 -2.558 -8.785 -1.614 376 HE2 TYR 45 1HE TYR 45 -6.471 -10.070 -0.502 377 HH TYR 45 HH TYR 45 -4.597 -11.470 -1.278 378 H LYS 46 H LYS 46 -4.835 -6.827 -4.413 379 HA LYS 46 HA LYS 46 -7.215 -8.231 -5.420 380 HB2 LYS 46 2HB LYS 46 -4.410 -8.395 -6.529 381 HB3 LYS 46 1HB LYS 46 -5.905 -8.936 -7.294 382 HG2 LYS 46 2HG LYS 46 -5.824 -6.083 -6.597 383 HG3 LYS 46 1HG LYS 46 -4.666 -6.593 -7.826 384 HD2 LYS 46 2HD LYS 46 -6.281 -7.063 -9.346 385 HD3 LYS 46 1HD LYS 46 -7.425 -7.611 -8.118 386 HE2 LYS 46 2HE LYS 46 -7.431 -5.065 -7.461 387 HE3 LYS 46 1HE LYS 46 -6.881 -4.858 -9.123 388 HZ1 LYS 46 3HZ LYS 46 -9.186 -4.723 -9.247 389 HZ2 LYS 46 1HZ LYS 46 -9.431 -5.995 -8.158 390 HZ3 LYS 46 2HZ LYS 46 -8.866 -6.315 -9.720 391 H ASP 47 H ASP 47 -7.509 -10.362 -5.042 392 HA ASP 47 HA ASP 47 -5.708 -11.625 -3.127 393 HB2 ASP 47 2HB ASP 47 -8.135 -11.637 -2.676 394 HB3 ASP 47 1HB ASP 47 -8.399 -12.547 -4.164 395 H GLU 48 H GLU 48 -6.679 -11.863 -6.447 396 HA GLU 48 HA GLU 48 -6.096 -14.439 -7.143 397 HB2 GLU 48 2HB GLU 48 -6.562 -12.080 -8.511 398 HB3 GLU 48 1HB GLU 48 -4.959 -12.553 -9.055 399 HG2 GLU 48 2HG GLU 48 -7.199 -14.527 -9.034 400 HG3 GLU 48 1HG GLU 48 -7.034 -13.365 -10.351 401 H ILE 49 H ILE 49 -3.794 -11.839 -6.506 402 HA ILE 49 HA ILE 49 -1.686 -13.837 -6.279 403 HB ILE 49 HB ILE 49 -0.092 -12.573 -7.603 404 HG12 ILE 49 2HG1 ILE 49 -1.119 -10.337 -7.240 405 HG13 ILE 49 1HG1 ILE 49 -0.726 -10.651 -8.927 406 HG21 ILE 49 1HG2 ILE 49 -1.282 -14.309 -8.749 407 HG22 ILE 49 2HG2 ILE 49 -1.091 -12.941 -9.847 408 HG23 ILE 49 3HG2 ILE 49 -2.644 -13.232 -9.063 409 HD11 ILE 49 3HD1 ILE 49 -2.790 -9.890 -9.306 410 HD12 ILE 49 1HD1 ILE 49 -3.312 -10.183 -7.648 411 HD13 ILE 49 2HD1 ILE 49 -3.297 -11.505 -8.814 412 H LYS 50 H LYS 50 -3.253 -11.904 -4.534 413 HA LYS 50 HA LYS 50 -2.897 -10.492 -2.780 414 HB2 LYS 50 2HB LYS 50 -0.107 -11.614 -2.665 415 HB3 LYS 50 1HB LYS 50 -1.122 -11.073 -1.335 416 HG2 LYS 50 2HG LYS 50 -2.473 -13.172 -2.692 417 HG3 LYS 50 1HG LYS 50 -0.816 -13.679 -2.369 418 HD2 LYS 50 2HD LYS 50 -1.137 -13.757 -0.139 419 HD3 LYS 50 1HD LYS 50 -2.160 -12.319 -0.139 420 HE2 LYS 50 2HE LYS 50 -3.768 -13.831 0.354 421 HE3 LYS 50 1HE LYS 50 -3.799 -14.017 -1.399 422 HZ1 LYS 50 3HZ LYS 50 -1.895 -15.754 -0.748 423 HZ2 LYS 50 1HZ LYS 50 -3.533 -16.166 -0.867 424 HZ3 LYS 50 2HZ LYS 50 -2.850 -15.841 0.646 425 H THR 51 H THR 51 -2.956 -8.638 -4.237 426 HA THR 51 HA THR 51 -0.427 -7.174 -4.134 427 HB THR 51 HB THR 51 -1.459 -6.347 -6.561 428 HG1 THR 51 1HG THR 51 -2.014 -8.154 -7.688 429 HG21 THR 51 3HG2 THR 51 0.844 -7.816 -5.656 430 HG22 THR 51 1HG2 THR 51 0.685 -6.669 -6.986 431 HG23 THR 51 2HG2 THR 51 0.311 -8.373 -7.242 432 H PHE 52 H PHE 52 -0.698 -5.236 -3.299 433 HA PHE 52 HA PHE 52 -3.399 -4.132 -3.122 434 HB2 PHE 52 2HB PHE 52 -1.006 -4.033 -1.474 435 HB3 PHE 52 1HB PHE 52 -1.722 -2.448 -1.684 436 HD1 PHE 52 2HD PHE 52 -3.956 -1.983 -0.853 437 HD2 PHE 52 1HD PHE 52 -2.102 -5.760 -0.227 438 HE1 PHE 52 2HE PHE 52 -5.620 -2.505 0.884 439 HE2 PHE 52 1HE PHE 52 -3.762 -6.291 1.512 440 HZ PHE 52 HZ PHE 52 -5.524 -4.662 2.070 441 H THR 53 H THR 53 -3.953 -2.179 -3.948 442 HA THR 53 HA THR 53 -1.938 -0.598 -5.354 443 HB THR 53 HB THR 53 -4.477 -1.440 -6.746 444 HG1 THR 53 1HG THR 53 -3.465 -3.289 -6.875 445 HG21 THR 53 3HG2 THR 53 -2.417 -0.870 -8.556 446 HG22 THR 53 1HG2 THR 53 -2.426 0.443 -7.378 447 HG23 THR 53 2HG2 THR 53 -3.897 0.046 -8.268 448 H VAL 54 H VAL 54 -2.371 1.556 -5.523 449 HA VAL 54 HA VAL 54 -4.957 2.476 -4.452 450 HB VAL 54 HB VAL 54 -2.516 2.869 -3.170 451 HG11 VAL 54 1HG1 VAL 54 -3.354 5.471 -4.483 452 HG12 VAL 54 2HG1 VAL 54 -1.876 4.578 -4.847 453 HG13 VAL 54 3HG1 VAL 54 -2.110 5.288 -3.244 454 HG21 VAL 54 3HG2 VAL 54 -3.855 4.473 -1.769 455 HG22 VAL 54 1HG2 VAL 54 -4.641 2.918 -2.058 456 HG23 VAL 54 2HG2 VAL 54 -5.146 4.342 -2.965 457 H THR 55 H THR 55 -5.890 4.262 -5.414 458 HA THR 55 HA THR 55 -4.498 5.364 -7.757 459 HB THR 55 HB THR 55 -7.381 5.199 -8.131 460 HG1 THR 55 1HG THR 55 -5.969 2.746 -8.059 461 HG21 THR 55 3HG2 THR 55 -5.211 3.952 -9.787 462 HG22 THR 55 1HG2 THR 55 -5.658 5.655 -9.893 463 HG23 THR 55 2HG2 THR 55 -6.841 4.407 -10.285 464 H GLU 56 H GLU 56 -4.978 7.499 -8.292 465 HA GLU 56 HA GLU 56 -5.700 9.165 -6.103 466 HB2 GLU 56 2HB GLU 56 -5.553 11.002 -7.854 467 HB3 GLU 56 1HB GLU 56 -4.097 10.053 -7.594 468 HG2 GLU 56 2HG GLU 56 -4.107 9.235 -9.675 469 HG3 GLU 56 1HG GLU 56 -5.855 9.014 -9.689 Start of MODEL 13 1 H1 THR 1 1HT THR 1 2.234 -14.399 2.698 2 H2 THR 1 2HT THR 1 3.869 -14.814 3.007 3 H3 THR 1 3HT THR 1 2.702 -16.048 2.756 4 HA THR 1 HA THR 1 4.019 -15.807 0.831 5 HB THR 1 HB THR 1 2.001 -14.857 -0.652 6 HG1 THR 1 1HG THR 1 0.778 -15.464 1.830 7 HG21 THR 1 3HG2 THR 1 2.661 -17.208 -0.549 8 HG22 THR 1 1HG2 THR 1 0.913 -17.008 -0.557 9 HG23 THR 1 2HG2 THR 1 1.746 -17.386 0.948 10 H THR 2 H THR 2 4.376 -14.442 -1.151 11 HA THR 2 HA THR 2 5.417 -11.883 -0.327 12 HB THR 2 HB THR 2 6.700 -13.296 -1.854 13 HG1 THR 2 1HG THR 2 5.775 -10.994 -3.229 14 HG21 THR 2 3HG2 THR 2 4.448 -12.879 -3.802 15 HG22 THR 2 1HG2 THR 2 4.939 -14.405 -3.074 16 HG23 THR 2 2HG2 THR 2 6.023 -13.573 -4.188 17 H TYR 3 H TYR 3 4.500 -9.957 -0.565 18 HA TYR 3 HA TYR 3 2.015 -9.790 -2.135 19 HB2 TYR 3 2HB TYR 3 2.972 -8.406 0.344 20 HB3 TYR 3 1HB TYR 3 1.819 -7.595 -0.713 21 HD1 TYR 3 2HD TYR 3 1.842 -11.243 -0.152 22 HD2 TYR 3 1HD TYR 3 0.032 -7.520 0.817 23 HE1 TYR 3 2HE TYR 3 -0.022 -12.440 0.918 24 HE2 TYR 3 1HE TYR 3 -1.843 -8.704 1.891 25 HH TYR 3 HH TYR 3 -2.333 -12.072 1.536 26 H LYS 4 H LYS 4 1.602 -7.837 -3.341 27 HA LYS 4 HA LYS 4 4.015 -6.313 -4.052 28 HB2 LYS 4 2HB LYS 4 2.159 -7.813 -5.852 29 HB3 LYS 4 1HB LYS 4 2.895 -6.324 -6.439 30 HG2 LYS 4 2HG LYS 4 5.124 -7.326 -5.803 31 HG3 LYS 4 1HG LYS 4 4.267 -8.850 -5.564 32 HD2 LYS 4 2HD LYS 4 3.668 -8.991 -7.834 33 HD3 LYS 4 1HD LYS 4 4.062 -7.296 -8.128 34 HE2 LYS 4 2HE LYS 4 6.233 -7.741 -8.471 35 HE3 LYS 4 1HE LYS 4 6.308 -8.878 -7.125 36 HZ1 LYS 4 3HZ LYS 4 6.641 -9.755 -9.495 37 HZ2 LYS 4 1HZ LYS 4 4.961 -9.615 -9.645 38 HZ3 LYS 4 2HZ LYS 4 5.622 -10.617 -8.459 39 H LEU 5 H LEU 5 3.750 -4.165 -4.258 40 HA LEU 5 HA LEU 5 0.996 -3.106 -4.137 41 HB2 LEU 5 2HB LEU 5 2.433 -2.731 -2.042 42 HB3 LEU 5 1HB LEU 5 3.451 -1.727 -3.080 43 HG LEU 5 HG LEU 5 1.732 -0.133 -3.433 44 HD11 LEU 5 1HD1 LEU 5 -0.014 -2.312 -2.718 45 HD12 LEU 5 2HD1 LEU 5 -0.360 -0.830 -3.606 46 HD13 LEU 5 3HD1 LEU 5 -0.424 -0.838 -1.843 47 HD21 LEU 5 3HD2 LEU 5 1.030 0.304 -0.943 48 HD22 LEU 5 1HD2 LEU 5 2.706 0.484 -1.460 49 HD23 LEU 5 2HD2 LEU 5 2.197 -0.978 -0.620 50 H ILE 6 H ILE 6 0.472 -1.360 -5.335 51 HA ILE 6 HA ILE 6 2.548 -0.118 -6.942 52 HB ILE 6 HB ILE 6 -0.025 -1.166 -8.151 53 HG12 ILE 6 2HG1 ILE 6 1.697 -2.465 -9.581 54 HG13 ILE 6 1HG1 ILE 6 2.831 -2.107 -8.282 55 HG21 ILE 6 1HG2 ILE 6 0.699 0.973 -9.107 56 HG22 ILE 6 2HG2 ILE 6 0.841 -0.345 -10.270 57 HG23 ILE 6 3HG2 ILE 6 2.280 0.274 -9.459 58 HD11 ILE 6 3HD1 ILE 6 2.096 -3.905 -7.232 59 HD12 ILE 6 1HD1 ILE 6 0.838 -4.149 -8.442 60 HD13 ILE 6 2HD1 ILE 6 0.530 -3.116 -7.045 61 H LEU 7 H LEU 7 2.394 1.987 -6.524 62 HA LEU 7 HA LEU 7 -0.188 3.075 -5.684 63 HB2 LEU 7 2HB LEU 7 2.527 4.378 -5.534 64 HB3 LEU 7 1HB LEU 7 1.046 4.928 -4.760 65 HG LEU 7 HG LEU 7 1.090 2.710 -3.479 66 HD11 LEU 7 1HD1 LEU 7 3.693 2.629 -4.897 67 HD12 LEU 7 2HD1 LEU 7 2.610 1.317 -4.442 68 HD13 LEU 7 3HD1 LEU 7 3.643 2.068 -3.227 69 HD21 LEU 7 3HD2 LEU 7 1.630 4.933 -2.530 70 HD22 LEU 7 1HD2 LEU 7 3.319 4.671 -2.961 71 HD23 LEU 7 2HD2 LEU 7 2.536 3.617 -1.784 72 H ASN 8 H ASN 8 -1.268 4.607 -6.768 73 HA ASN 8 HA ASN 8 0.035 5.808 -9.120 74 HB2 ASN 8 2HB ASN 8 -2.285 4.030 -9.069 75 HB3 ASN 8 1HB ASN 8 -2.615 5.555 -9.894 76 HD21 ASN 8 1HD2 ASN 8 -2.397 5.321 -11.987 77 HD22 ASN 8 2HD2 ASN 8 -1.162 4.422 -12.795 78 H LEU 9 H LEU 9 0.281 7.795 -8.170 79 HA LEU 9 HA LEU 9 -2.122 9.402 -7.984 80 HB2 LEU 9 2HB LEU 9 -0.481 8.623 -5.636 81 HB3 LEU 9 1HB LEU 9 -0.978 10.309 -5.714 82 HG LEU 9 HG LEU 9 -3.163 8.407 -6.213 83 HD11 LEU 9 1HD1 LEU 9 -3.433 7.855 -3.810 84 HD12 LEU 9 2HD1 LEU 9 -1.803 8.461 -3.521 85 HD13 LEU 9 3HD1 LEU 9 -2.054 7.059 -4.566 86 HD21 LEU 9 3HD2 LEU 9 -4.418 10.040 -5.288 87 HD22 LEU 9 1HD2 LEU 9 -3.002 11.023 -5.662 88 HD23 LEU 9 2HD2 LEU 9 -3.232 10.393 -4.031 89 H LYS 10 H LYS 10 -1.776 11.472 -8.598 90 HA LYS 10 HA LYS 10 -0.728 13.281 -9.470 91 HB2 LYS 10 2HB LYS 10 0.583 12.676 -7.045 92 HB3 LYS 10 1HB LYS 10 1.840 13.094 -8.192 93 HG2 LYS 10 2HG LYS 10 0.852 15.224 -8.603 94 HG3 LYS 10 1HG LYS 10 -0.582 14.799 -7.683 95 HD2 LYS 10 2HD LYS 10 0.398 15.720 -5.907 96 HD3 LYS 10 1HD LYS 10 1.543 14.377 -5.931 97 HE2 LYS 10 2HE LYS 10 3.073 16.016 -6.114 98 HE3 LYS 10 1HE LYS 10 2.619 15.976 -7.816 99 HZ1 LYS 10 3HZ LYS 10 2.295 18.160 -7.461 100 HZ2 LYS 10 1HZ LYS 10 2.055 17.984 -5.792 101 HZ3 LYS 10 2HZ LYS 10 0.792 17.652 -6.867 102 H GLN 11 H GLN 11 -0.466 10.793 -10.859 103 HA GLN 11 HA GLN 11 0.620 9.899 -12.646 104 HB2 GLN 11 2HB GLN 11 1.073 12.700 -12.714 105 HB3 GLN 11 1HB GLN 11 2.556 11.902 -13.241 106 HG2 GLN 11 2HG GLN 11 1.512 12.043 -15.246 107 HG3 GLN 11 1HG GLN 11 0.830 10.508 -14.696 108 HE21 GLN 11 1HE2 GLN 11 -1.302 10.323 -14.578 109 HE22 GLN 11 2HE2 GLN 11 -2.431 11.622 -14.720 110 H ALA 12 H ALA 12 1.862 9.947 -9.800 111 HA ALA 12 HA ALA 12 4.591 9.169 -10.583 112 HB1 ALA 12 1HB ALA 12 5.334 9.704 -8.417 113 HB2 ALA 12 2HB ALA 12 3.691 9.754 -7.778 114 HB3 ALA 12 3HB ALA 12 4.251 11.019 -8.874 115 H LYS 13 H LYS 13 4.792 7.046 -10.845 116 HA LYS 13 HA LYS 13 3.064 5.227 -9.370 117 HB2 LYS 13 2HB LYS 13 3.972 3.481 -10.881 118 HB3 LYS 13 1HB LYS 13 3.346 4.852 -11.796 119 HG2 LYS 13 2HG LYS 13 5.627 5.702 -12.065 120 HG3 LYS 13 1HG LYS 13 6.244 4.310 -11.177 121 HD2 LYS 13 2HD LYS 13 5.709 2.825 -12.879 122 HD3 LYS 13 1HD LYS 13 4.514 3.913 -13.584 123 HE2 LYS 13 2HE LYS 13 6.367 3.933 -15.049 124 HE3 LYS 13 1HE LYS 13 6.445 5.446 -14.147 125 HZ1 LYS 13 3HZ LYS 13 7.893 3.213 -12.987 126 HZ2 LYS 13 1HZ LYS 13 8.340 4.841 -13.128 127 HZ3 LYS 13 2HZ LYS 13 8.514 3.801 -14.450 128 H GLU 14 H GLU 14 3.768 3.696 -7.935 129 HA GLU 14 HA GLU 14 6.616 3.545 -7.310 130 HB2 GLU 14 2HB GLU 14 4.626 4.885 -5.668 131 HB3 GLU 14 1HB GLU 14 5.412 3.571 -4.793 132 HG2 GLU 14 2HG GLU 14 6.971 5.089 -4.318 133 HG3 GLU 14 1HG GLU 14 7.539 4.799 -5.961 134 H GLU 15 H GLU 15 7.173 1.691 -5.983 135 HA GLU 15 HA GLU 15 5.122 -0.423 -6.067 136 HB2 GLU 15 2HB GLU 15 8.067 -0.623 -6.701 137 HB3 GLU 15 1HB GLU 15 7.020 -2.018 -6.485 138 HG2 GLU 15 2HG GLU 15 5.797 -1.547 -8.417 139 HG3 GLU 15 1HG GLU 15 6.394 0.109 -8.497 140 H ALA 16 H ALA 16 5.459 -2.192 -4.536 141 HA ALA 16 HA ALA 16 7.256 -1.899 -2.343 142 HB1 ALA 16 1HB ALA 16 5.090 -0.303 -2.045 143 HB2 ALA 16 2HB ALA 16 5.886 -1.088 -0.678 144 HB3 ALA 16 3HB ALA 16 4.438 -1.805 -1.387 145 H ILE 17 H ILE 17 7.404 -3.796 -1.197 146 HA ILE 17 HA ILE 17 5.473 -5.917 -1.809 147 HB ILE 17 HB ILE 17 7.469 -7.516 -1.861 148 HG12 ILE 17 2HG1 ILE 17 9.394 -6.129 -3.135 149 HG13 ILE 17 1HG1 ILE 17 8.815 -4.870 -2.053 150 HG21 ILE 17 1HG2 ILE 17 5.935 -6.676 -3.772 151 HG22 ILE 17 2HG2 ILE 17 7.426 -7.525 -4.176 152 HG23 ILE 17 3HG2 ILE 17 7.357 -5.766 -4.283 153 HD11 ILE 17 3HD1 ILE 17 10.566 -5.868 -0.900 154 HD12 ILE 17 1HD1 ILE 17 10.077 -7.495 -1.371 155 HD13 ILE 17 2HD1 ILE 17 9.127 -6.596 -0.188 156 H LYS 18 H LYS 18 5.127 -7.406 -0.228 157 HA LYS 18 HA LYS 18 6.764 -7.276 2.180 158 HB2 LYS 18 2HB LYS 18 3.766 -7.114 2.392 159 HB3 LYS 18 1HB LYS 18 4.963 -6.816 3.648 160 HG2 LYS 18 2HG LYS 18 4.727 -5.114 1.202 161 HG3 LYS 18 1HG LYS 18 3.811 -4.791 2.667 162 HD2 LYS 18 2HD LYS 18 5.723 -4.234 3.876 163 HD3 LYS 18 1HD LYS 18 6.790 -5.124 2.787 164 HE2 LYS 18 2HE LYS 18 6.562 -3.462 1.091 165 HE3 LYS 18 1HE LYS 18 5.284 -2.642 1.986 166 HZ1 LYS 18 3HZ LYS 18 6.979 -2.242 3.760 167 HZ2 LYS 18 1HZ LYS 18 7.267 -1.421 2.309 168 HZ3 LYS 18 2HZ LYS 18 8.159 -2.806 2.689 169 H GLU 19 H GLU 19 6.786 -9.137 3.404 170 HA GLU 19 HA GLU 19 5.323 -11.425 2.264 171 HB2 GLU 19 2HB GLU 19 7.984 -11.193 2.224 172 HB3 GLU 19 1HB GLU 19 7.809 -11.863 3.841 173 HG2 GLU 19 2HG GLU 19 7.329 -13.896 3.076 174 HG3 GLU 19 1HG GLU 19 6.251 -13.278 1.827 175 H ALA 20 H ALA 20 3.666 -11.875 3.571 176 HA ALA 20 HA ALA 20 4.220 -12.340 6.399 177 HB1 ALA 20 1HB ALA 20 2.600 -10.930 7.251 178 HB2 ALA 20 2HB ALA 20 1.774 -10.774 5.700 179 HB3 ALA 20 3HB ALA 20 3.319 -9.963 5.962 180 H VAL 21 H VAL 21 2.516 -13.561 7.475 181 HA VAL 21 HA VAL 21 1.570 -15.694 5.850 182 HB VAL 21 HB VAL 21 2.217 -16.014 8.202 183 HG11 VAL 21 1HG1 VAL 21 -0.330 -14.559 8.881 184 HG12 VAL 21 2HG1 VAL 21 1.294 -13.892 9.057 185 HG13 VAL 21 3HG1 VAL 21 0.805 -15.287 10.016 186 HG21 VAL 21 3HG2 VAL 21 0.490 -17.452 6.918 187 HG22 VAL 21 1HG2 VAL 21 -0.686 -16.716 8.015 188 HG23 VAL 21 2HG2 VAL 21 0.653 -17.666 8.662 189 H ASP 22 H ASP 22 0.143 -12.759 7.067 190 HA ASP 22 HA ASP 22 -2.455 -13.566 5.967 191 HB2 ASP 22 2HB ASP 22 -1.962 -12.684 8.474 192 HB3 ASP 22 1HB ASP 22 -2.269 -11.147 7.672 193 H ALA 23 H ALA 23 -3.323 -10.735 6.045 194 HA ALA 23 HA ALA 23 -1.787 -9.680 3.769 195 HB1 ALA 23 1HB ALA 23 -4.176 -10.791 3.391 196 HB2 ALA 23 2HB ALA 23 -3.621 -9.401 2.460 197 HB3 ALA 23 3HB ALA 23 -4.703 -9.167 3.832 198 H GLY 24 H GLY 24 -3.940 -8.973 6.481 199 HA2 GLY 24 2HA GLY 24 -4.087 -6.222 6.325 200 HA3 GLY 24 1HA GLY 24 -4.091 -7.122 7.832 201 H ILE 25 H ILE 25 -1.356 -8.182 7.158 202 HA ILE 25 HA ILE 25 0.124 -6.180 8.535 203 HB ILE 25 HB ILE 25 0.953 -8.756 7.199 204 HG12 ILE 25 2HG1 ILE 25 -0.315 -9.072 9.232 205 HG13 ILE 25 1HG1 ILE 25 1.374 -9.435 9.568 206 HG21 ILE 25 1HG2 ILE 25 2.667 -6.759 8.664 207 HG22 ILE 25 2HG2 ILE 25 2.871 -7.359 7.019 208 HG23 ILE 25 3HG2 ILE 25 3.140 -8.436 8.389 209 HD11 ILE 25 3HD1 ILE 25 0.618 -8.206 11.405 210 HD12 ILE 25 1HD1 ILE 25 -0.213 -7.030 10.386 211 HD13 ILE 25 2HD1 ILE 25 1.550 -7.060 10.440 212 H ALA 26 H ALA 26 0.116 -7.346 5.172 213 HA ALA 26 HA ALA 26 2.208 -5.695 4.296 214 HB1 ALA 26 1HB ALA 26 1.405 -7.644 3.031 215 HB2 ALA 26 2HB ALA 26 1.514 -6.177 2.054 216 HB3 ALA 26 3HB ALA 26 -0.058 -6.743 2.625 217 H GLU 27 H GLU 27 -1.325 -5.203 4.245 218 HA GLU 27 HA GLU 27 -1.289 -2.759 2.879 219 HB2 GLU 27 2HB GLU 27 -3.460 -2.256 3.883 220 HB3 GLU 27 1HB GLU 27 -3.412 -3.911 3.299 221 HG2 GLU 27 2HG GLU 27 -2.835 -4.565 5.668 222 HG3 GLU 27 1HG GLU 27 -3.270 -2.922 6.124 223 H LYS 28 H LYS 28 -0.583 -3.568 6.191 224 HA LYS 28 HA LYS 28 -0.655 -0.954 7.265 225 HB2 LYS 28 2HB LYS 28 1.007 -3.330 8.132 226 HB3 LYS 28 1HB LYS 28 0.745 -1.873 9.078 227 HG2 LYS 28 2HG LYS 28 -1.747 -3.073 8.222 228 HG3 LYS 28 1HG LYS 28 -0.754 -4.186 9.165 229 HD2 LYS 28 2HD LYS 28 -1.975 -3.102 10.808 230 HD3 LYS 28 1HD LYS 28 -0.479 -2.168 10.777 231 HE2 LYS 28 2HE LYS 28 -2.562 -1.247 8.920 232 HE3 LYS 28 1HE LYS 28 -2.970 -1.099 10.629 233 HZ1 LYS 28 3HZ LYS 28 -0.582 0.036 9.278 234 HZ2 LYS 28 1HZ LYS 28 -0.857 0.094 10.947 235 HZ3 LYS 28 2HZ LYS 28 -1.903 0.898 9.889 236 H TYR 29 H TYR 29 1.760 -2.789 5.511 237 HA TYR 29 HA TYR 29 3.809 -0.765 5.889 238 HB2 TYR 29 2HB TYR 29 3.690 -3.473 4.737 239 HB3 TYR 29 1HB TYR 29 4.764 -2.351 3.899 240 HD1 TYR 29 2HD TYR 29 5.692 -0.622 5.990 241 HD2 TYR 29 1HD TYR 29 5.222 -4.847 6.031 242 HE1 TYR 29 2HE TYR 29 7.400 -0.762 7.698 243 HE2 TYR 29 1HE TYR 29 6.964 -5.018 7.765 244 HH TYR 29 HH TYR 29 8.176 -2.264 9.425 245 H PHE 30 H PHE 30 1.634 -1.897 3.503 246 HA PHE 30 HA PHE 30 2.603 -0.472 1.299 247 HB2 PHE 30 2HB PHE 30 -0.129 -1.571 2.025 248 HB3 PHE 30 1HB PHE 30 0.226 -0.883 0.440 249 HD1 PHE 30 2HD PHE 30 3.212 -2.255 0.827 250 HD2 PHE 30 1HD PHE 30 -0.784 -3.570 0.775 251 HE1 PHE 30 2HE PHE 30 3.960 -4.402 -0.064 252 HE2 PHE 30 1HE PHE 30 -0.071 -5.755 -0.106 253 HZ PHE 30 HZ PHE 30 2.321 -6.158 -0.522 254 H LYS 31 H LYS 31 0.313 0.168 3.874 255 HA LYS 31 HA LYS 31 -0.304 2.824 2.941 256 HB2 LYS 31 2HB LYS 31 -1.696 3.024 4.866 257 HB3 LYS 31 1HB LYS 31 -1.916 1.386 4.266 258 HG2 LYS 31 2HG LYS 31 -0.213 0.667 5.997 259 HG3 LYS 31 1HG LYS 31 -0.353 2.291 6.673 260 HD2 LYS 31 2HD LYS 31 -2.685 0.423 6.258 261 HD3 LYS 31 1HD LYS 31 -1.804 0.584 7.779 262 HE2 LYS 31 2HE LYS 31 -2.525 2.786 8.098 263 HE3 LYS 31 1HE LYS 31 -3.000 2.969 6.410 264 HZ1 LYS 31 3HZ LYS 31 -4.718 2.475 8.373 265 HZ2 LYS 31 1HZ LYS 31 -4.377 0.888 7.896 266 HZ3 LYS 31 2HZ LYS 31 -4.981 1.997 6.772 267 H LEU 32 H LEU 32 2.089 1.225 4.837 268 HA LEU 32 HA LEU 32 2.899 3.454 6.429 269 HB2 LEU 32 2HB LEU 32 3.536 0.865 6.525 270 HB3 LEU 32 1HB LEU 32 4.940 1.444 5.642 271 HG LEU 32 HG LEU 32 5.285 3.111 7.496 272 HD11 LEU 32 1HD1 LEU 32 2.965 2.977 8.368 273 HD12 LEU 32 2HD1 LEU 32 4.202 2.762 9.603 274 HD13 LEU 32 3HD1 LEU 32 3.331 1.363 8.975 275 HD21 LEU 32 3HD2 LEU 32 6.554 0.999 7.263 276 HD22 LEU 32 1HD2 LEU 32 5.373 0.209 8.305 277 HD23 LEU 32 2HD2 LEU 32 6.370 1.518 8.940 278 H ILE 33 H ILE 33 4.009 2.162 3.308 279 HA ILE 33 HA ILE 33 5.796 4.415 2.962 280 HB ILE 33 HB ILE 33 6.531 2.216 2.172 281 HG12 ILE 33 2HG1 ILE 33 7.473 2.945 0.136 282 HG13 ILE 33 1HG1 ILE 33 6.060 3.911 -0.274 283 HG21 ILE 33 1HG2 ILE 33 4.467 1.186 1.573 284 HG22 ILE 33 2HG2 ILE 33 5.463 1.268 0.120 285 HG23 ILE 33 3HG2 ILE 33 4.144 2.415 0.349 286 HD11 ILE 33 3HD1 ILE 33 6.727 5.676 0.997 287 HD12 ILE 33 1HD1 ILE 33 8.305 4.998 0.591 288 HD13 ILE 33 2HD1 ILE 33 7.576 4.655 2.161 289 H ALA 34 H ALA 34 2.675 3.276 1.777 290 HA ALA 34 HA ALA 34 2.382 5.039 -0.380 291 HB1 ALA 34 1HB ALA 34 0.839 3.233 -0.150 292 HB2 ALA 34 2HB ALA 34 -0.081 4.731 0.007 293 HB3 ALA 34 3HB ALA 34 0.334 3.797 1.442 294 H ASN 35 H ASN 35 2.024 5.473 3.062 295 HA ASN 35 HA ASN 35 0.855 8.112 2.788 296 HB2 ASN 35 2HB ASN 35 0.475 6.351 4.702 297 HB3 ASN 35 1HB ASN 35 1.950 7.046 5.368 298 HD21 ASN 35 1HD2 ASN 35 1.960 9.236 5.978 299 HD22 ASN 35 2HD2 ASN 35 0.490 10.078 6.318 300 H ALA 36 H ALA 36 3.964 6.627 3.360 301 HA ALA 36 HA ALA 36 5.280 9.064 4.127 302 HB1 ALA 36 1HB ALA 36 7.060 7.769 4.593 303 HB2 ALA 36 2HB ALA 36 6.919 6.842 3.103 304 HB3 ALA 36 3HB ALA 36 5.888 6.460 4.482 305 H LYS 37 H LYS 37 4.736 7.288 1.163 306 HA LYS 37 HA LYS 37 6.500 9.073 -0.323 307 HB2 LYS 37 2HB LYS 37 5.091 6.522 -1.055 308 HB3 LYS 37 1HB LYS 37 5.675 7.607 -2.306 309 HG2 LYS 37 2HG LYS 37 7.622 6.969 -0.206 310 HG3 LYS 37 1HG LYS 37 7.129 5.615 -1.226 311 HD2 LYS 37 2HD LYS 37 7.831 6.735 -3.199 312 HD3 LYS 37 1HD LYS 37 8.036 8.262 -2.338 313 HE2 LYS 37 2HE LYS 37 9.631 5.788 -1.708 314 HE3 LYS 37 1HE LYS 37 10.157 6.998 -2.878 315 HZ1 LYS 37 3HZ LYS 37 9.776 8.622 -0.925 316 HZ2 LYS 37 1HZ LYS 37 11.182 7.682 -0.953 317 HZ3 LYS 37 2HZ LYS 37 9.886 7.239 0.040 318 H THR 38 H THR 38 3.118 7.952 -0.557 319 HA THR 38 HA THR 38 2.473 10.434 -1.994 320 HB THR 38 HB THR 38 0.617 9.328 -2.957 321 HG1 THR 38 1HG THR 38 -0.065 7.278 -2.232 322 HG21 THR 38 3HG2 THR 38 1.876 8.167 -4.344 323 HG22 THR 38 1HG2 THR 38 1.917 6.838 -3.185 324 HG23 THR 38 2HG2 THR 38 3.164 8.085 -3.141 325 H VAL 39 H VAL 39 -0.337 10.349 -1.519 326 HA VAL 39 HA VAL 39 -0.365 11.122 1.320 327 HB VAL 39 HB VAL 39 -2.576 12.349 0.429 328 HG11 VAL 39 1HG1 VAL 39 -1.169 14.394 0.196 329 HG12 VAL 39 2HG1 VAL 39 0.256 13.361 0.296 330 HG13 VAL 39 3HG1 VAL 39 -0.859 13.459 1.659 331 HG21 VAL 39 3HG2 VAL 39 -2.432 11.732 -1.871 332 HG22 VAL 39 1HG2 VAL 39 -0.737 12.211 -1.957 333 HG23 VAL 39 2HG2 VAL 39 -1.991 13.433 -1.760 334 H GLU 40 H GLU 40 -2.787 10.067 -1.116 335 HA GLU 40 HA GLU 40 -3.564 7.715 0.049 336 HB2 GLU 40 2HB GLU 40 -4.137 8.899 2.080 337 HB3 GLU 40 1HB GLU 40 -5.106 10.063 1.177 338 HG2 GLU 40 2HG GLU 40 -5.932 7.291 0.783 339 HG3 GLU 40 1HG GLU 40 -6.047 7.837 2.455 340 H GLY 41 H GLY 41 -5.227 6.749 -1.039 341 HA2 GLY 41 2HA GLY 41 -6.985 8.299 -2.761 342 HA3 GLY 41 1HA GLY 41 -5.819 7.287 -3.613 343 H VAL 42 H VAL 42 -7.637 6.105 -4.500 344 HA VAL 42 HA VAL 42 -9.359 4.652 -2.699 345 HB VAL 42 HB VAL 42 -10.033 3.424 -4.849 346 HG11 VAL 42 1HG1 VAL 42 -11.086 5.515 -3.696 347 HG12 VAL 42 2HG1 VAL 42 -11.617 5.031 -5.307 348 HG13 VAL 42 3HG1 VAL 42 -10.478 6.363 -5.118 349 HG21 VAL 42 3HG2 VAL 42 -9.122 3.934 -6.835 350 HG22 VAL 42 1HG2 VAL 42 -7.773 4.536 -5.874 351 HG23 VAL 42 2HG2 VAL 42 -9.006 5.652 -6.453 352 H TRP 43 H TRP 43 -8.407 3.157 -1.487 353 HA TRP 43 HA TRP 43 -6.196 1.593 -2.396 354 HB2 TRP 43 2HB TRP 43 -7.676 2.116 0.097 355 HB3 TRP 43 1HB TRP 43 -6.902 0.551 -0.012 356 HD1 TRP 43 HD TRP 43 -6.099 4.304 0.028 357 HE1 TRP 43 1HE TRP 43 -3.638 4.633 0.672 358 HE3 TRP 43 3HE TRP 43 -4.559 -0.602 0.056 359 HZ2 TRP 43 2HZ TRP 43 -1.365 3.042 1.137 360 HZ3 TRP 43 3HZ TRP 43 -2.213 -1.058 0.615 361 HH2 TRP 43 HH TRP 43 -0.668 0.715 1.134 362 H THR 44 H THR 44 -6.187 -0.456 -3.093 363 HA THR 44 HA THR 44 -8.511 -2.169 -2.714 364 HB THR 44 HB THR 44 -8.051 -2.721 -5.323 365 HG1 THR 44 1HG THR 44 -7.789 0.093 -5.123 366 HG21 THR 44 3HG2 THR 44 -10.110 -1.867 -5.796 367 HG22 THR 44 1HG2 THR 44 -9.863 -0.426 -4.812 368 HG23 THR 44 2HG2 THR 44 -10.207 -1.972 -4.037 369 H TYR 45 H TYR 45 -8.052 -4.401 -2.974 370 HA TYR 45 HA TYR 45 -5.249 -5.100 -3.474 371 HB2 TYR 45 2HB TYR 45 -5.156 -5.009 -1.138 372 HB3 TYR 45 1HB TYR 45 -6.781 -5.666 -0.943 373 HD1 TYR 45 1HD TYR 45 -3.330 -6.573 -2.001 374 HD2 TYR 45 2HD TYR 45 -7.090 -7.955 -0.570 375 HE1 TYR 45 1HE TYR 45 -2.369 -8.810 -1.653 376 HE2 TYR 45 2HE TYR 45 -6.140 -10.195 -0.218 377 HH TYR 45 HH TYR 45 -3.340 -10.964 0.184 378 H LYS 46 H LYS 46 -4.901 -7.097 -4.350 379 HA LYS 46 HA LYS 46 -7.315 -8.567 -5.163 380 HB2 LYS 46 2HB LYS 46 -4.595 -8.812 -6.438 381 HB3 LYS 46 1HB LYS 46 -6.159 -9.283 -7.103 382 HG2 LYS 46 2HG LYS 46 -5.482 -6.422 -6.499 383 HG3 LYS 46 1HG LYS 46 -5.071 -7.185 -8.037 384 HD2 LYS 46 2HD LYS 46 -7.223 -7.232 -8.738 385 HD3 LYS 46 1HD LYS 46 -7.853 -7.541 -7.119 386 HE2 LYS 46 2HE LYS 46 -6.710 -4.875 -7.891 387 HE3 LYS 46 1HE LYS 46 -8.396 -5.285 -8.201 388 HZ1 LYS 46 3HZ LYS 46 -7.063 -4.702 -5.690 389 HZ2 LYS 46 1HZ LYS 46 -8.186 -5.966 -5.640 390 HZ3 LYS 46 2HZ LYS 46 -8.665 -4.428 -6.154 391 H ASP 47 H ASP 47 -7.547 -10.690 -4.674 392 HA ASP 47 HA ASP 47 -5.603 -11.830 -2.822 393 HB2 ASP 47 2HB ASP 47 -7.993 -11.857 -2.209 394 HB3 ASP 47 1HB ASP 47 -8.341 -12.838 -3.632 395 H GLU 48 H GLU 48 -6.810 -12.263 -6.049 396 HA GLU 48 HA GLU 48 -6.137 -14.880 -6.596 397 HB2 GLU 48 2HB GLU 48 -7.289 -13.177 -8.104 398 HB3 GLU 48 1HB GLU 48 -5.678 -12.629 -8.545 399 HG2 GLU 48 2HG GLU 48 -5.599 -14.200 -10.095 400 HG3 GLU 48 1HG GLU 48 -5.668 -15.422 -8.829 401 H ILE 49 H ILE 49 -4.032 -12.069 -6.386 402 HA ILE 49 HA ILE 49 -1.731 -13.874 -6.491 403 HB ILE 49 HB ILE 49 -0.449 -12.288 -7.855 404 HG12 ILE 49 2HG1 ILE 49 -1.830 -10.285 -7.246 405 HG13 ILE 49 1HG1 ILE 49 -1.479 -10.429 -8.965 406 HG21 ILE 49 1HG2 ILE 49 -1.816 -12.642 -10.008 407 HG22 ILE 49 2HG2 ILE 49 -2.956 -13.490 -8.965 408 HG23 ILE 49 3HG2 ILE 49 -1.290 -14.062 -9.100 409 HD11 ILE 49 3HD1 ILE 49 -3.646 -10.158 -9.325 410 HD12 ILE 49 1HD1 ILE 49 -4.012 -10.317 -7.607 411 HD13 ILE 49 2HD1 ILE 49 -3.896 -11.756 -8.621 412 H LYS 50 H LYS 50 -3.312 -12.000 -4.537 413 HA LYS 50 HA LYS 50 -2.853 -10.627 -2.776 414 HB2 LYS 50 2HB LYS 50 -0.206 -12.075 -2.919 415 HB3 LYS 50 1HB LYS 50 -0.799 -11.173 -1.533 416 HG2 LYS 50 2HG LYS 50 -2.435 -12.747 -1.046 417 HG3 LYS 50 1HG LYS 50 -2.378 -13.445 -2.664 418 HD2 LYS 50 2HD LYS 50 -0.281 -14.472 -2.232 419 HD3 LYS 50 1HD LYS 50 -0.074 -13.567 -0.731 420 HE2 LYS 50 2HE LYS 50 -2.403 -15.417 -1.108 421 HE3 LYS 50 1HE LYS 50 -0.833 -16.035 -0.613 422 HZ1 LYS 50 3HZ LYS 50 -2.186 -15.585 1.308 423 HZ2 LYS 50 1HZ LYS 50 -2.431 -13.981 0.817 424 HZ3 LYS 50 2HZ LYS 50 -0.886 -14.505 1.276 425 H THR 51 H THR 51 -2.916 -8.741 -4.184 426 HA THR 51 HA THR 51 -0.393 -7.290 -4.058 427 HB THR 51 HB THR 51 -1.013 -8.479 -6.428 428 HG1 THR 51 1HG THR 51 0.629 -7.327 -7.115 429 HG21 THR 51 3HG2 THR 51 -1.859 -6.879 -7.996 430 HG22 THR 51 1HG2 THR 51 -2.076 -5.678 -6.723 431 HG23 THR 51 2HG2 THR 51 -3.062 -7.140 -6.733 432 H PHE 52 H PHE 52 -0.678 -5.300 -3.346 433 HA PHE 52 HA PHE 52 -3.404 -4.251 -3.179 434 HB2 PHE 52 2HB PHE 52 -1.018 -4.085 -1.535 435 HB3 PHE 52 1HB PHE 52 -1.743 -2.509 -1.785 436 HD1 PHE 52 1HD PHE 52 -3.976 -2.036 -0.967 437 HD2 PHE 52 2HD PHE 52 -2.111 -5.789 -0.250 438 HE1 PHE 52 1HE PHE 52 -5.636 -2.518 0.787 439 HE2 PHE 52 2HE PHE 52 -3.766 -6.283 1.504 440 HZ PHE 52 HZ PHE 52 -5.531 -4.646 2.025 441 H THR 53 H THR 53 -3.987 -2.297 -4.016 442 HA THR 53 HA THR 53 -1.999 -0.733 -5.481 443 HB THR 53 HB THR 53 -4.547 -1.675 -6.797 444 HG1 THR 53 1HG THR 53 -3.268 -3.443 -6.720 445 HG21 THR 53 3HG2 THR 53 -3.273 0.508 -7.508 446 HG22 THR 53 1HG2 THR 53 -3.911 -0.618 -8.708 447 HG23 THR 53 2HG2 THR 53 -2.197 -0.650 -8.290 448 H VAL 54 H VAL 54 -2.410 1.417 -5.612 449 HA VAL 54 HA VAL 54 -5.004 2.353 -4.574 450 HB VAL 54 HB VAL 54 -2.562 2.735 -3.271 451 HG11 VAL 54 1HG1 VAL 54 -1.943 4.463 -4.944 452 HG12 VAL 54 2HG1 VAL 54 -2.161 5.151 -3.332 453 HG13 VAL 54 3HG1 VAL 54 -3.419 5.347 -4.552 454 HG21 VAL 54 3HG2 VAL 54 -5.195 4.205 -3.057 455 HG22 VAL 54 1HG2 VAL 54 -3.912 4.300 -1.850 456 HG23 VAL 54 2HG2 VAL 54 -4.706 2.757 -2.177 457 H THR 55 H THR 55 -5.959 4.050 -5.618 458 HA THR 55 HA THR 55 -4.487 5.240 -7.866 459 HB THR 55 HB THR 55 -7.343 4.256 -7.968 460 HG1 THR 55 1HG THR 55 -6.557 2.702 -9.334 461 HG21 THR 55 3HG2 THR 55 -6.748 4.659 -10.518 462 HG22 THR 55 1HG2 THR 55 -5.750 5.928 -9.808 463 HG23 THR 55 2HG2 THR 55 -7.487 5.902 -9.507 464 H GLU 56 H GLU 56 -5.148 7.334 -8.492 465 HA GLU 56 HA GLU 56 -6.133 8.914 -6.291 466 HB2 GLU 56 2HB GLU 56 -5.705 10.835 -7.831 467 HB3 GLU 56 1HB GLU 56 -4.301 9.814 -7.553 468 HG2 GLU 56 2HG GLU 56 -5.592 8.762 -9.808 469 HG3 GLU 56 1HG GLU 56 -5.587 10.513 -10.013 Start of MODEL 14 1 H1 THR 1 1HT THR 1 2.995 -14.853 2.940 2 H2 THR 1 2HT THR 1 4.590 -15.405 2.627 3 H3 THR 1 3HT THR 1 3.272 -16.498 2.563 4 HA THR 1 HA THR 1 3.969 -15.938 0.384 5 HB THR 1 HB THR 1 1.614 -16.378 0.775 6 HG1 THR 1 1HG THR 1 1.943 -14.126 -0.911 7 HG21 THR 1 3HG2 THR 1 1.399 -13.461 1.428 8 HG22 THR 1 1HG2 THR 1 1.012 -14.825 2.469 9 HG23 THR 1 2HG2 THR 1 0.019 -14.490 1.052 10 H THR 2 H THR 2 4.499 -14.429 -1.183 11 HA THR 2 HA THR 2 5.392 -11.876 -0.174 12 HB THR 2 HB THR 2 5.540 -12.825 -3.029 13 HG1 THR 2 1HG THR 2 7.538 -13.750 -2.446 14 HG21 THR 2 3HG2 THR 2 6.206 -10.454 -2.381 15 HG22 THR 2 1HG2 THR 2 7.373 -11.416 -3.287 16 HG23 THR 2 2HG2 THR 2 7.569 -11.200 -1.547 17 H TYR 3 H TYR 3 4.513 -9.922 -0.544 18 HA TYR 3 HA TYR 3 2.036 -9.839 -2.134 19 HB2 TYR 3 2HB TYR 3 2.907 -8.448 0.363 20 HB3 TYR 3 1HB TYR 3 1.802 -7.616 -0.730 21 HD1 TYR 3 2HD TYR 3 1.703 -11.267 -0.302 22 HD2 TYR 3 1HD TYR 3 0.022 -7.534 0.842 23 HE1 TYR 3 2HE TYR 3 -0.212 -12.441 0.698 24 HE2 TYR 3 1HE TYR 3 -1.900 -8.701 1.849 25 HH TYR 3 HH TYR 3 -3.044 -11.070 1.422 26 H LYS 4 H LYS 4 1.582 -7.849 -3.306 27 HA LYS 4 HA LYS 4 3.987 -6.322 -4.037 28 HB2 LYS 4 2HB LYS 4 2.164 -7.877 -5.800 29 HB3 LYS 4 1HB LYS 4 2.756 -6.332 -6.405 30 HG2 LYS 4 2HG LYS 4 4.994 -7.649 -5.356 31 HG3 LYS 4 1HG LYS 4 4.090 -8.867 -6.257 32 HD2 LYS 4 2HD LYS 4 4.010 -7.269 -8.179 33 HD3 LYS 4 1HD LYS 4 5.092 -6.210 -7.273 34 HE2 LYS 4 2HE LYS 4 6.544 -8.397 -7.097 35 HE3 LYS 4 1HE LYS 4 5.631 -8.855 -8.534 36 HZ1 LYS 4 3HZ LYS 4 7.439 -6.539 -8.182 37 HZ2 LYS 4 1HZ LYS 4 6.333 -6.628 -9.459 38 HZ3 LYS 4 2HZ LYS 4 7.550 -7.792 -9.313 39 H LEU 5 H LEU 5 3.713 -4.174 -4.279 40 HA LEU 5 HA LEU 5 0.963 -3.117 -4.093 41 HB2 LEU 5 2HB LEU 5 2.457 -2.718 -2.042 42 HB3 LEU 5 1HB LEU 5 3.450 -1.735 -3.122 43 HG LEU 5 HG LEU 5 1.744 -0.127 -3.436 44 HD11 LEU 5 1HD1 LEU 5 -0.012 -2.279 -2.697 45 HD12 LEU 5 2HD1 LEU 5 -0.367 -0.772 -3.537 46 HD13 LEU 5 3HD1 LEU 5 -0.375 -0.822 -1.775 47 HD21 LEU 5 3HD2 LEU 5 1.148 0.425 -0.989 48 HD22 LEU 5 1HD2 LEU 5 2.845 0.399 -1.468 49 HD23 LEU 5 2HD2 LEU 5 2.156 -0.969 -0.596 50 H ILE 6 H ILE 6 0.413 -1.384 -5.324 51 HA ILE 6 HA ILE 6 2.476 -0.232 -7.021 52 HB ILE 6 HB ILE 6 -0.198 -1.112 -8.128 53 HG12 ILE 6 2HG1 ILE 6 1.214 -3.058 -7.623 54 HG13 ILE 6 1HG1 ILE 6 1.048 -2.830 -9.362 55 HG21 ILE 6 1HG2 ILE 6 2.234 0.125 -9.398 56 HG22 ILE 6 2HG2 ILE 6 0.612 0.805 -9.288 57 HG23 ILE 6 3HG2 ILE 6 0.911 -0.599 -10.312 58 HD11 ILE 6 3HD1 ILE 6 3.241 -2.735 -9.593 59 HD12 ILE 6 1HD1 ILE 6 3.404 -3.092 -7.873 60 HD13 ILE 6 2HD1 ILE 6 3.349 -1.418 -8.425 61 H LEU 7 H LEU 7 2.419 1.886 -6.652 62 HA LEU 7 HA LEU 7 -0.082 3.082 -5.732 63 HB2 LEU 7 2HB LEU 7 2.715 4.199 -5.692 64 HB3 LEU 7 1HB LEU 7 1.295 4.970 -5.000 65 HG LEU 7 HG LEU 7 1.153 2.710 -3.632 66 HD11 LEU 7 1HD1 LEU 7 4.061 2.796 -3.493 67 HD12 LEU 7 2HD1 LEU 7 3.453 2.220 -5.045 68 HD13 LEU 7 3HD1 LEU 7 2.967 1.415 -3.554 69 HD21 LEU 7 3HD2 LEU 7 2.619 5.236 -3.190 70 HD22 LEU 7 1HD2 LEU 7 2.956 3.922 -2.064 71 HD23 LEU 7 2HD2 LEU 7 1.304 4.507 -2.267 72 H ASN 8 H ASN 8 -1.154 4.617 -6.802 73 HA ASN 8 HA ASN 8 0.057 5.673 -9.274 74 HB2 ASN 8 2HB ASN 8 -2.367 4.074 -8.974 75 HB3 ASN 8 1HB ASN 8 -2.666 5.599 -9.811 76 HD21 ASN 8 1HD2 ASN 8 -2.740 5.190 -11.897 77 HD22 ASN 8 2HD2 ASN 8 -1.610 4.233 -12.787 78 H LEU 9 H LEU 9 0.552 7.625 -8.292 79 HA LEU 9 HA LEU 9 -1.737 9.205 -7.329 80 HB2 LEU 9 2HB LEU 9 1.215 9.795 -6.895 81 HB3 LEU 9 1HB LEU 9 -0.131 10.601 -6.103 82 HG LEU 9 HG LEU 9 0.825 9.116 -4.523 83 HD11 LEU 9 1HD1 LEU 9 -1.521 9.102 -4.320 84 HD12 LEU 9 2HD1 LEU 9 -1.020 7.415 -4.205 85 HD13 LEU 9 3HD1 LEU 9 -1.711 8.030 -5.707 86 HD21 LEU 9 3HD2 LEU 9 0.392 6.636 -6.052 87 HD22 LEU 9 1HD2 LEU 9 1.683 7.072 -4.931 88 HD23 LEU 9 2HD2 LEU 9 1.724 7.657 -6.593 89 H LYS 10 H LYS 10 -1.972 9.211 -9.862 90 HA LYS 10 HA LYS 10 -1.996 10.413 -11.786 91 HB2 LYS 10 2HB LYS 10 -2.563 12.148 -9.863 92 HB3 LYS 10 1HB LYS 10 -1.033 12.852 -10.360 93 HG2 LYS 10 2HG LYS 10 -1.921 12.933 -12.687 94 HG3 LYS 10 1HG LYS 10 -3.482 12.428 -12.055 95 HD2 LYS 10 2HD LYS 10 -3.924 14.456 -11.175 96 HD3 LYS 10 1HD LYS 10 -2.255 14.704 -10.657 97 HE2 LYS 10 2HE LYS 10 -1.661 15.154 -13.042 98 HE3 LYS 10 1HE LYS 10 -3.381 15.083 -13.427 99 HZ1 LYS 10 3HZ LYS 10 -2.171 16.974 -11.484 100 HZ2 LYS 10 1HZ LYS 10 -3.781 16.951 -12.004 101 HZ3 LYS 10 2HZ LYS 10 -2.549 17.361 -13.086 102 H GLN 11 H GLN 11 -0.410 9.691 -13.091 103 HA GLN 11 HA GLN 11 1.574 9.559 -14.189 104 HB2 GLN 11 2HB GLN 11 1.131 12.324 -13.520 105 HB3 GLN 11 1HB GLN 11 2.858 11.977 -13.577 106 HG2 GLN 11 2HG GLN 11 2.392 12.609 -15.745 107 HG3 GLN 11 1HG GLN 11 2.316 10.850 -15.835 108 HE21 GLN 11 1HE2 GLN 11 0.364 13.764 -15.542 109 HE22 GLN 11 2HE2 GLN 11 -1.059 13.105 -16.268 110 H ALA 12 H ALA 12 1.396 8.983 -11.192 111 HA ALA 12 HA ALA 12 4.299 8.878 -10.729 112 HB1 ALA 12 1HB ALA 12 3.124 10.580 -9.298 113 HB2 ALA 12 2HB ALA 12 4.031 9.348 -8.422 114 HB3 ALA 12 3HB ALA 12 2.276 9.236 -8.538 115 H LYS 13 H LYS 13 4.970 6.843 -10.711 116 HA LYS 13 HA LYS 13 3.126 4.767 -9.728 117 HB2 LYS 13 2HB LYS 13 4.379 3.186 -11.228 118 HB3 LYS 13 1HB LYS 13 3.545 4.462 -12.115 119 HG2 LYS 13 2HG LYS 13 6.355 4.980 -11.352 120 HG3 LYS 13 1HG LYS 13 6.066 3.759 -12.591 121 HD2 LYS 13 2HD LYS 13 4.787 6.472 -12.724 122 HD3 LYS 13 1HD LYS 13 6.409 6.184 -13.353 123 HE2 LYS 13 2HE LYS 13 5.537 4.459 -14.837 124 HE3 LYS 13 1HE LYS 13 3.919 4.700 -14.186 125 HZ1 LYS 13 3HZ LYS 13 4.511 7.175 -14.942 126 HZ2 LYS 13 1HZ LYS 13 3.744 6.057 -15.953 127 HZ3 LYS 13 2HZ LYS 13 5.410 6.315 -16.084 128 H GLU 14 H GLU 14 3.795 3.437 -8.153 129 HA GLU 14 HA GLU 14 6.630 3.367 -7.436 130 HB2 GLU 14 2HB GLU 14 4.580 4.727 -5.931 131 HB3 GLU 14 1HB GLU 14 5.243 3.396 -4.982 132 HG2 GLU 14 2HG GLU 14 7.002 5.399 -6.355 133 HG3 GLU 14 1HG GLU 14 6.336 5.680 -4.747 134 H GLU 15 H GLU 15 7.191 1.550 -6.057 135 HA GLU 15 HA GLU 15 5.211 -0.628 -6.192 136 HB2 GLU 15 2HB GLU 15 8.195 -0.975 -6.487 137 HB3 GLU 15 1HB GLU 15 6.949 -2.189 -6.741 138 HG2 GLU 15 2HG GLU 15 6.466 -1.461 -8.814 139 HG3 GLU 15 1HG GLU 15 6.735 0.232 -8.401 140 H ALA 16 H ALA 16 5.566 -2.381 -4.639 141 HA ALA 16 HA ALA 16 7.271 -2.059 -2.396 142 HB1 ALA 16 1HB ALA 16 4.469 -1.923 -1.444 143 HB2 ALA 16 2HB ALA 16 5.067 -0.446 -2.202 144 HB3 ALA 16 3HB ALA 16 5.910 -1.125 -0.806 145 H ILE 17 H ILE 17 7.354 -3.945 -1.213 146 HA ILE 17 HA ILE 17 5.373 -6.024 -1.789 147 HB ILE 17 HB ILE 17 7.385 -7.654 -1.863 148 HG12 ILE 17 2HG1 ILE 17 8.735 -5.217 -3.030 149 HG13 ILE 17 1HG1 ILE 17 9.014 -5.754 -1.377 150 HG21 ILE 17 1HG2 ILE 17 5.988 -6.151 -3.908 151 HG22 ILE 17 2HG2 ILE 17 6.398 -7.864 -3.849 152 HG23 ILE 17 3HG2 ILE 17 7.572 -6.698 -4.459 153 HD11 ILE 17 3HD1 ILE 17 9.361 -7.725 -3.567 154 HD12 ILE 17 1HD1 ILE 17 10.207 -7.580 -2.026 155 HD13 ILE 17 2HD1 ILE 17 10.589 -6.477 -3.349 156 H LYS 18 H LYS 18 5.033 -7.484 -0.178 157 HA LYS 18 HA LYS 18 6.758 -7.378 2.174 158 HB2 LYS 18 2HB LYS 18 3.772 -7.166 2.482 159 HB3 LYS 18 1HB LYS 18 5.017 -6.865 3.689 160 HG2 LYS 18 2HG LYS 18 4.702 -5.201 1.227 161 HG3 LYS 18 1HG LYS 18 3.868 -4.837 2.731 162 HD2 LYS 18 2HD LYS 18 5.849 -4.297 3.831 163 HD3 LYS 18 1HD LYS 18 6.841 -5.225 2.707 164 HE2 LYS 18 2HE LYS 18 6.774 -3.574 1.085 165 HE3 LYS 18 1HE LYS 18 5.311 -2.844 1.743 166 HZ1 LYS 18 3HZ LYS 18 6.991 -2.495 3.773 167 HZ2 LYS 18 1HZ LYS 18 6.779 -1.356 2.539 168 HZ3 LYS 18 2HZ LYS 18 8.087 -2.427 2.487 169 H GLU 19 H GLU 19 6.853 -9.245 3.347 170 HA GLU 19 HA GLU 19 5.319 -11.515 2.275 171 HB2 GLU 19 2HB GLU 19 8.124 -11.251 3.277 172 HB3 GLU 19 1HB GLU 19 7.301 -12.792 3.466 173 HG2 GLU 19 2HG GLU 19 7.422 -13.278 1.278 174 HG3 GLU 19 1HG GLU 19 7.119 -11.611 0.786 175 H ALA 20 H ALA 20 3.656 -11.931 3.588 176 HA ALA 20 HA ALA 20 4.208 -12.360 6.424 177 HB1 ALA 20 1HB ALA 20 3.273 -9.996 5.907 178 HB2 ALA 20 2HB ALA 20 2.608 -10.928 7.249 179 HB3 ALA 20 3HB ALA 20 1.739 -10.846 5.716 180 H VAL 21 H VAL 21 2.480 -13.557 7.518 181 HA VAL 21 HA VAL 21 1.576 -15.740 5.935 182 HB VAL 21 HB VAL 21 2.180 -15.990 8.309 183 HG11 VAL 21 1HG1 VAL 21 1.200 -13.825 9.061 184 HG12 VAL 21 2HG1 VAL 21 0.762 -15.201 10.078 185 HG13 VAL 21 3HG1 VAL 21 -0.402 -14.550 8.920 186 HG21 VAL 21 3HG2 VAL 21 0.686 -17.676 8.714 187 HG22 VAL 21 1HG2 VAL 21 0.397 -17.405 6.997 188 HG23 VAL 21 2HG2 VAL 21 -0.703 -16.726 8.194 189 H ASP 22 H ASP 22 0.112 -12.776 7.048 190 HA ASP 22 HA ASP 22 -2.444 -13.612 5.868 191 HB2 ASP 22 2HB ASP 22 -2.055 -12.771 8.412 192 HB3 ASP 22 1HB ASP 22 -2.379 -11.229 7.625 193 H ALA 23 H ALA 23 -3.372 -10.809 5.962 194 HA ALA 23 HA ALA 23 -1.789 -9.705 3.737 195 HB1 ALA 23 1HB ALA 23 -4.035 -10.765 3.132 196 HB2 ALA 23 2HB ALA 23 -3.716 -9.135 2.540 197 HB3 ALA 23 3HB ALA 23 -4.765 -9.376 3.937 198 H GLY 24 H GLY 24 -3.858 -9.038 6.512 199 HA2 GLY 24 2HA GLY 24 -4.020 -6.286 6.413 200 HA3 GLY 24 1HA GLY 24 -3.963 -7.213 7.901 201 H ILE 25 H ILE 25 -1.284 -8.269 7.259 202 HA ILE 25 HA ILE 25 0.244 -6.273 8.561 203 HB ILE 25 HB ILE 25 1.008 -8.858 7.207 204 HG12 ILE 25 2HG1 ILE 25 -0.161 -9.121 9.309 205 HG13 ILE 25 1HG1 ILE 25 1.536 -9.514 9.555 206 HG21 ILE 25 1HG2 ILE 25 2.796 -6.799 8.469 207 HG22 ILE 25 2HG2 ILE 25 2.956 -7.584 6.898 208 HG23 ILE 25 3HG2 ILE 25 3.248 -8.501 8.375 209 HD11 ILE 25 3HD1 ILE 25 -0.098 -7.455 10.779 210 HD12 ILE 25 1HD1 ILE 25 1.427 -6.834 10.146 211 HD13 ILE 25 2HD1 ILE 25 1.430 -8.160 11.309 212 H ALA 26 H ALA 26 0.043 -7.337 5.180 213 HA ALA 26 HA ALA 26 2.159 -5.716 4.268 214 HB1 ALA 26 1HB ALA 26 -0.149 -6.629 2.589 215 HB2 ALA 26 2HB ALA 26 1.205 -7.669 3.037 216 HB3 ALA 26 3HB ALA 26 1.486 -6.217 2.068 217 H GLU 27 H GLU 27 -1.380 -5.202 4.209 218 HA GLU 27 HA GLU 27 -1.384 -2.758 2.899 219 HB2 GLU 27 2HB GLU 27 -3.471 -2.207 4.119 220 HB3 GLU 27 1HB GLU 27 -3.501 -3.814 3.407 221 HG2 GLU 27 2HG GLU 27 -2.790 -4.670 5.662 222 HG3 GLU 27 1HG GLU 27 -3.127 -3.058 6.285 223 H LYS 28 H LYS 28 -0.577 -3.525 6.212 224 HA LYS 28 HA LYS 28 -0.526 -0.894 7.234 225 HB2 LYS 28 2HB LYS 28 0.955 -3.400 8.042 226 HB3 LYS 28 1HB LYS 28 1.101 -1.884 8.920 227 HG2 LYS 28 2HG LYS 28 -1.290 -1.907 9.371 228 HG3 LYS 28 1HG LYS 28 -1.444 -3.417 8.476 229 HD2 LYS 28 2HD LYS 28 0.525 -4.049 10.236 230 HD3 LYS 28 1HD LYS 28 -0.438 -2.923 11.193 231 HE2 LYS 28 2HE LYS 28 -2.299 -4.582 9.946 232 HE3 LYS 28 1HE LYS 28 -0.995 -5.659 10.443 233 HZ1 LYS 28 3HZ LYS 28 -1.295 -4.162 12.632 234 HZ2 LYS 28 1HZ LYS 28 -2.093 -5.633 12.384 235 HZ3 LYS 28 2HZ LYS 28 -2.886 -4.176 12.058 236 H TYR 29 H TYR 29 1.923 -2.915 5.676 237 HA TYR 29 HA TYR 29 3.965 -0.911 5.880 238 HB2 TYR 29 2HB TYR 29 3.762 -3.617 4.757 239 HB3 TYR 29 1HB TYR 29 4.836 -2.530 3.874 240 HD1 TYR 29 2HD TYR 29 5.824 -0.779 5.928 241 HD2 TYR 29 1HD TYR 29 5.332 -5.001 6.021 242 HE1 TYR 29 2HE TYR 29 7.572 -0.909 7.602 243 HE2 TYR 29 1HE TYR 29 7.108 -5.165 7.714 244 HH TYR 29 HH TYR 29 9.042 -3.858 8.488 245 H PHE 30 H PHE 30 1.650 -1.903 3.583 246 HA PHE 30 HA PHE 30 2.668 -0.532 1.349 247 HB2 PHE 30 2HB PHE 30 -0.071 -1.595 2.095 248 HB3 PHE 30 1HB PHE 30 0.272 -0.897 0.510 249 HD1 PHE 30 2HD PHE 30 3.251 -2.298 0.873 250 HD2 PHE 30 1HD PHE 30 -0.752 -3.576 0.820 251 HE1 PHE 30 2HE PHE 30 3.979 -4.442 -0.038 252 HE2 PHE 30 1HE PHE 30 -0.063 -5.760 -0.079 253 HZ PHE 30 HZ PHE 30 2.324 -6.181 -0.507 254 H LYS 31 H LYS 31 0.338 0.158 3.889 255 HA LYS 31 HA LYS 31 -0.209 2.813 2.939 256 HB2 LYS 31 2HB LYS 31 -1.575 3.074 4.885 257 HB3 LYS 31 1HB LYS 31 -1.856 1.451 4.270 258 HG2 LYS 31 2HG LYS 31 -0.218 0.626 5.991 259 HG3 LYS 31 1HG LYS 31 -0.219 2.255 6.667 260 HD2 LYS 31 2HD LYS 31 -2.807 1.943 6.687 261 HD3 LYS 31 1HD LYS 31 -2.412 0.225 6.599 262 HE2 LYS 31 2HE LYS 31 -0.751 0.938 8.564 263 HE3 LYS 31 1HE LYS 31 -1.992 2.168 8.796 264 HZ1 LYS 31 3HZ LYS 31 -3.597 0.572 9.246 265 HZ2 LYS 31 1HZ LYS 31 -2.229 -0.038 10.034 266 HZ3 LYS 31 2HZ LYS 31 -2.708 -0.685 8.546 267 H LEU 32 H LEU 32 2.189 1.229 4.849 268 HA LEU 32 HA LEU 32 3.005 3.384 6.490 269 HB2 LEU 32 2HB LEU 32 4.011 0.796 5.811 270 HB3 LEU 32 1HB LEU 32 5.328 1.957 5.779 271 HG LEU 32 HG LEU 32 4.905 2.591 8.058 272 HD11 LEU 32 1HD1 LEU 32 2.891 0.525 8.589 273 HD12 LEU 32 2HD1 LEU 32 2.328 1.918 7.665 274 HD13 LEU 32 3HD1 LEU 32 3.059 2.148 9.253 275 HD21 LEU 32 3HD2 LEU 32 4.808 -0.408 7.985 276 HD22 LEU 32 1HD2 LEU 32 5.628 0.632 9.150 277 HD23 LEU 32 2HD2 LEU 32 6.229 0.510 7.495 278 H ILE 33 H ILE 33 4.324 2.314 3.345 279 HA ILE 33 HA ILE 33 5.806 4.776 3.084 280 HB ILE 33 HB ILE 33 6.786 2.701 2.237 281 HG12 ILE 33 2HG1 ILE 33 7.696 3.590 0.268 282 HG13 ILE 33 1HG1 ILE 33 6.184 4.357 -0.197 283 HG21 ILE 33 1HG2 ILE 33 5.051 2.548 -0.127 284 HG22 ILE 33 2HG2 ILE 33 4.301 2.053 1.391 285 HG23 ILE 33 3HG2 ILE 33 5.778 1.262 0.838 286 HD11 ILE 33 3HD1 ILE 33 6.586 6.211 1.054 287 HD12 ILE 33 1HD1 ILE 33 8.254 5.714 0.766 288 HD13 ILE 33 2HD1 ILE 33 7.467 5.312 2.291 289 H ALA 34 H ALA 34 2.851 3.357 1.765 290 HA ALA 34 HA ALA 34 2.435 5.207 -0.309 291 HB1 ALA 34 1HB ALA 34 1.129 3.222 -0.294 292 HB2 ALA 34 2HB ALA 34 0.011 4.565 -0.043 293 HB3 ALA 34 3HB ALA 34 0.514 3.568 1.321 294 H ASN 35 H ASN 35 1.787 5.311 3.136 295 HA ASN 35 HA ASN 35 0.276 7.758 3.008 296 HB2 ASN 35 2HB ASN 35 -0.086 6.125 4.826 297 HB3 ASN 35 1HB ASN 35 1.564 6.389 5.383 298 HD21 ASN 35 1HD2 ASN 35 1.860 7.859 6.894 299 HD22 ASN 35 2HD2 ASN 35 0.744 9.105 7.329 300 H ALA 36 H ALA 36 3.592 6.786 3.544 301 HA ALA 36 HA ALA 36 4.515 9.367 4.371 302 HB1 ALA 36 1HB ALA 36 6.197 7.142 3.236 303 HB2 ALA 36 2HB ALA 36 5.629 7.165 4.905 304 HB3 ALA 36 3HB ALA 36 6.692 8.438 4.316 305 H LYS 37 H LYS 37 4.195 7.643 1.342 306 HA LYS 37 HA LYS 37 5.721 9.527 -0.187 307 HB2 LYS 37 2HB LYS 37 3.801 7.350 -1.040 308 HB3 LYS 37 1HB LYS 37 4.674 8.374 -2.169 309 HG2 LYS 37 2HG LYS 37 6.647 7.421 -0.485 310 HG3 LYS 37 1HG LYS 37 5.568 6.044 -0.713 311 HD2 LYS 37 2HD LYS 37 6.435 5.693 -2.730 312 HD3 LYS 37 1HD LYS 37 5.931 7.307 -3.235 313 HE2 LYS 37 2HE LYS 37 8.453 6.827 -1.672 314 HE3 LYS 37 1HE LYS 37 8.409 6.741 -3.432 315 HZ1 LYS 37 3HZ LYS 37 7.863 9.088 -1.712 316 HZ2 LYS 37 1HZ LYS 37 7.434 9.045 -3.348 317 HZ3 LYS 37 2HZ LYS 37 9.059 8.920 -2.897 318 H THR 38 H THR 38 2.254 8.742 -0.022 319 HA THR 38 HA THR 38 1.624 11.555 -0.567 320 HB THR 38 HB THR 38 -0.382 10.392 -1.928 321 HG1 THR 38 1HG THR 38 1.852 8.710 -2.385 322 HG21 THR 38 3HG2 THR 38 2.152 10.614 -3.451 323 HG22 THR 38 1HG2 THR 38 1.506 12.056 -2.668 324 HG23 THR 38 2HG2 THR 38 0.533 11.184 -3.854 325 H VAL 39 H VAL 39 -1.093 11.481 -0.531 326 HA VAL 39 HA VAL 39 -1.994 9.897 1.727 327 HB VAL 39 HB VAL 39 -2.825 11.975 2.920 328 HG11 VAL 39 1HG1 VAL 39 -0.906 10.549 3.645 329 HG12 VAL 39 2HG1 VAL 39 -0.806 12.230 4.172 330 HG13 VAL 39 3HG1 VAL 39 0.171 11.672 2.814 331 HG21 VAL 39 3HG2 VAL 39 -0.605 13.533 1.766 332 HG22 VAL 39 1HG2 VAL 39 -2.200 14.056 2.309 333 HG23 VAL 39 2HG2 VAL 39 -2.009 13.312 0.721 334 H GLU 40 H GLU 40 -2.954 9.670 -0.814 335 HA GLU 40 HA GLU 40 -5.704 10.127 -0.491 336 HB2 GLU 40 2HB GLU 40 -5.952 11.728 -2.472 337 HB3 GLU 40 1HB GLU 40 -5.426 12.414 -0.936 338 HG2 GLU 40 2HG GLU 40 -3.037 11.883 -2.032 339 HG3 GLU 40 1HG GLU 40 -3.985 12.148 -3.494 340 H GLY 41 H GLY 41 -6.761 8.687 -1.688 341 HA2 GLY 41 2HA GLY 41 -6.661 8.031 -4.293 342 HA3 GLY 41 1HA GLY 41 -5.256 7.169 -3.670 343 H VAL 42 H VAL 42 -7.659 6.064 -4.883 344 HA VAL 42 HA VAL 42 -9.201 4.881 -2.757 345 HB VAL 42 HB VAL 42 -10.263 3.534 -4.528 346 HG11 VAL 42 1HG1 VAL 42 -10.088 6.408 -5.396 347 HG12 VAL 42 2HG1 VAL 42 -10.958 5.887 -3.953 348 HG13 VAL 42 3HG1 VAL 42 -11.458 5.306 -5.542 349 HG21 VAL 42 3HG2 VAL 42 -7.899 4.196 -5.972 350 HG22 VAL 42 1HG2 VAL 42 -9.292 4.814 -6.858 351 HG23 VAL 42 2HG2 VAL 42 -9.204 3.105 -6.430 352 H TRP 43 H TRP 43 -8.321 3.417 -1.496 353 HA TRP 43 HA TRP 43 -6.121 1.790 -2.311 354 HB2 TRP 43 2HB TRP 43 -7.573 2.498 0.135 355 HB3 TRP 43 1HB TRP 43 -6.901 0.883 0.131 356 HD1 TRP 43 HD TRP 43 -5.869 4.576 -0.013 357 HE1 TRP 43 1HE TRP 43 -3.390 4.778 0.622 358 HE3 TRP 43 3HE TRP 43 -4.623 -0.415 0.207 359 HZ2 TRP 43 2HZ TRP 43 -1.220 3.072 1.151 360 HZ3 TRP 43 3HZ TRP 43 -2.308 -0.986 0.784 361 HH2 TRP 43 HH TRP 43 -0.658 0.708 1.236 362 H THR 44 H THR 44 -6.159 -0.246 -3.022 363 HA THR 44 HA THR 44 -8.453 -1.959 -2.491 364 HB THR 44 HB THR 44 -7.803 -2.347 -5.240 365 HG1 THR 44 1HG THR 44 -7.962 -0.407 -6.105 366 HG21 THR 44 3HG2 THR 44 -10.283 -1.111 -4.076 367 HG22 THR 44 1HG2 THR 44 -9.970 -2.845 -4.168 368 HG23 THR 44 2HG2 THR 44 -10.116 -1.895 -5.648 369 H TYR 45 H TYR 45 -8.032 -4.215 -2.954 370 HA TYR 45 HA TYR 45 -5.219 -4.889 -3.416 371 HB2 TYR 45 2HB TYR 45 -5.166 -4.949 -1.085 372 HB3 TYR 45 1HB TYR 45 -6.813 -5.567 -0.957 373 HD1 TYR 45 1HD TYR 45 -3.356 -6.512 -1.950 374 HD2 TYR 45 2HD TYR 45 -7.206 -7.871 -0.749 375 HE1 TYR 45 1HE TYR 45 -2.468 -8.792 -1.699 376 HE2 TYR 45 2HE TYR 45 -6.328 -10.153 -0.494 377 HH TYR 45 HH TYR 45 -4.243 -11.298 -0.164 378 H LYS 46 H LYS 46 -4.858 -6.833 -4.407 379 HA LYS 46 HA LYS 46 -7.262 -8.216 -5.382 380 HB2 LYS 46 2HB LYS 46 -4.498 -8.404 -6.575 381 HB3 LYS 46 1HB LYS 46 -6.036 -8.845 -7.318 382 HG2 LYS 46 2HG LYS 46 -6.675 -6.542 -7.501 383 HG3 LYS 46 1HG LYS 46 -5.258 -6.030 -6.582 384 HD2 LYS 46 2HD LYS 46 -3.985 -7.331 -8.499 385 HD3 LYS 46 1HD LYS 46 -5.464 -6.983 -9.396 386 HE2 LYS 46 2HE LYS 46 -5.168 -4.670 -9.214 387 HE3 LYS 46 1HE LYS 46 -4.008 -4.832 -7.896 388 HZ1 LYS 46 3HZ LYS 46 -3.077 -4.256 -10.151 389 HZ2 LYS 46 1HZ LYS 46 -3.451 -5.837 -10.625 390 HZ3 LYS 46 2HZ LYS 46 -2.353 -5.569 -9.366 391 H ASP 47 H ASP 47 -7.548 -10.356 -5.046 392 HA ASP 47 HA ASP 47 -5.684 -11.664 -3.220 393 HB2 ASP 47 2HB ASP 47 -8.090 -11.672 -2.671 394 HB3 ASP 47 1HB ASP 47 -8.421 -12.546 -4.167 395 H GLU 48 H GLU 48 -6.814 -11.843 -6.498 396 HA GLU 48 HA GLU 48 -6.221 -14.414 -7.240 397 HB2 GLU 48 2HB GLU 48 -7.147 -12.439 -8.629 398 HB3 GLU 48 1HB GLU 48 -5.461 -12.111 -9.006 399 HG2 GLU 48 2HG GLU 48 -5.634 -14.774 -9.534 400 HG3 GLU 48 1HG GLU 48 -7.242 -14.203 -9.990 401 H ILE 49 H ILE 49 -3.991 -11.773 -6.636 402 HA ILE 49 HA ILE 49 -1.787 -13.686 -6.705 403 HB ILE 49 HB ILE 49 -0.339 -12.207 -7.986 404 HG12 ILE 49 2HG1 ILE 49 -1.489 -10.083 -7.367 405 HG13 ILE 49 1HG1 ILE 49 -1.155 -10.221 -9.090 406 HG21 ILE 49 1HG2 ILE 49 -1.329 -12.538 -10.179 407 HG22 ILE 49 2HG2 ILE 49 -2.912 -12.787 -9.446 408 HG23 ILE 49 3HG2 ILE 49 -1.618 -13.943 -9.147 409 HD11 ILE 49 3HD1 ILE 49 -3.669 -11.261 -8.913 410 HD12 ILE 49 1HD1 ILE 49 -3.276 -9.598 -9.348 411 HD13 ILE 49 2HD1 ILE 49 -3.695 -9.998 -7.681 412 H LYS 50 H LYS 50 -3.360 -11.869 -4.756 413 HA LYS 50 HA LYS 50 -2.949 -10.557 -2.935 414 HB2 LYS 50 2HB LYS 50 -0.235 -11.863 -2.959 415 HB3 LYS 50 1HB LYS 50 -1.109 -11.247 -1.569 416 HG2 LYS 50 2HG LYS 50 -2.811 -12.980 -1.872 417 HG3 LYS 50 1HG LYS 50 -1.893 -13.624 -3.243 418 HD2 LYS 50 2HD LYS 50 0.026 -13.542 -1.336 419 HD3 LYS 50 1HD LYS 50 -1.401 -13.869 -0.351 420 HE2 LYS 50 2HE LYS 50 -1.778 -15.600 -2.412 421 HE3 LYS 50 1HE LYS 50 -0.021 -15.575 -2.303 422 HZ1 LYS 50 3HZ LYS 50 -0.045 -16.600 -0.312 423 HZ2 LYS 50 1HZ LYS 50 -1.552 -17.166 -0.836 424 HZ3 LYS 50 2HZ LYS 50 -1.461 -15.834 0.210 425 H THR 51 H THR 51 -2.949 -8.622 -4.275 426 HA THR 51 HA THR 51 -0.412 -7.212 -4.030 427 HB THR 51 HB THR 51 -1.937 -7.353 -6.637 428 HG1 THR 51 1HG THR 51 -0.072 -8.404 -7.377 429 HG21 THR 51 3HG2 THR 51 -0.543 -5.209 -5.866 430 HG22 THR 51 1HG2 THR 51 -0.621 -5.768 -7.536 431 HG23 THR 51 2HG2 THR 51 0.764 -6.189 -6.529 432 H PHE 52 H PHE 52 -0.693 -5.234 -3.264 433 HA PHE 52 HA PHE 52 -3.407 -4.159 -3.117 434 HB2 PHE 52 2HB PHE 52 -1.017 -4.016 -1.474 435 HB3 PHE 52 1HB PHE 52 -1.737 -2.436 -1.709 436 HD1 PHE 52 2HD PHE 52 -2.142 -5.752 -0.248 437 HD2 PHE 52 1HD PHE 52 -3.940 -1.940 -0.834 438 HE1 PHE 52 2HE PHE 52 -3.797 -6.267 1.501 439 HE2 PHE 52 1HE PHE 52 -5.597 -2.447 0.915 440 HZ PHE 52 HZ PHE 52 -5.526 -4.613 2.085 441 H THR 53 H THR 53 -3.971 -2.174 -3.921 442 HA THR 53 HA THR 53 -1.972 -0.630 -5.390 443 HB THR 53 HB THR 53 -4.549 -1.468 -6.713 444 HG1 THR 53 1HG THR 53 -1.960 -2.519 -7.178 445 HG21 THR 53 3HG2 THR 53 -2.330 -0.817 -8.434 446 HG22 THR 53 1HG2 THR 53 -2.756 0.532 -7.382 447 HG23 THR 53 2HG2 THR 53 -3.978 -0.192 -8.427 448 H VAL 54 H VAL 54 -2.390 1.526 -5.602 449 HA VAL 54 HA VAL 54 -4.927 2.495 -4.457 450 HB VAL 54 HB VAL 54 -2.455 2.870 -3.254 451 HG11 VAL 54 1HG1 VAL 54 -1.800 4.501 -5.001 452 HG12 VAL 54 2HG1 VAL 54 -1.965 5.269 -3.419 453 HG13 VAL 54 3HG1 VAL 54 -3.233 5.458 -4.631 454 HG21 VAL 54 3HG2 VAL 54 -4.977 4.525 -3.022 455 HG22 VAL 54 1HG2 VAL 54 -3.684 4.476 -1.823 456 HG23 VAL 54 2HG2 VAL 54 -4.627 3.024 -2.168 457 H THR 55 H THR 55 -6.016 3.979 -5.616 458 HA THR 55 HA THR 55 -4.627 5.270 -7.865 459 HB THR 55 HB THR 55 -7.464 4.557 -8.294 460 HG1 THR 55 1HG THR 55 -7.123 2.446 -8.575 461 HG21 THR 55 3HG2 THR 55 -5.875 5.635 -9.975 462 HG22 THR 55 1HG2 THR 55 -6.858 4.277 -10.520 463 HG23 THR 55 2HG2 THR 55 -5.157 4.030 -10.124 464 H GLU 56 H GLU 56 -4.740 7.403 -7.676 465 HA GLU 56 HA GLU 56 -7.119 8.567 -6.382 466 HB2 GLU 56 2HB GLU 56 -5.759 10.358 -5.560 467 HB3 GLU 56 1HB GLU 56 -4.965 8.847 -5.140 468 HG2 GLU 56 2HG GLU 56 -3.130 9.780 -5.975 469 HG3 GLU 56 1HG GLU 56 -3.834 9.438 -7.555 Start of MODEL 15 1 H1 THR 1 1HT THR 1 3.110 -15.171 2.550 2 H2 THR 1 2HT THR 1 4.687 -15.828 2.356 3 H3 THR 1 3HT THR 1 3.307 -16.798 2.048 4 HA THR 1 HA THR 1 4.391 -16.036 0.043 5 HB THR 1 HB THR 1 2.222 -14.980 -0.882 6 HG1 THR 1 1HG THR 1 1.447 -14.132 1.057 7 HG21 THR 1 3HG2 THR 1 2.420 -17.656 0.410 8 HG22 THR 1 1HG2 THR 1 2.291 -17.232 -1.297 9 HG23 THR 1 2HG2 THR 1 0.874 -17.117 -0.251 10 H THR 2 H THR 2 4.642 -14.236 -1.453 11 HA THR 2 HA THR 2 5.413 -11.801 -0.034 12 HB THR 2 HB THR 2 7.056 -12.865 -1.527 13 HG1 THR 2 1HG THR 2 7.667 -10.991 -2.527 14 HG21 THR 2 3HG2 THR 2 5.706 -11.968 -3.979 15 HG22 THR 2 1HG2 THR 2 5.062 -13.430 -3.231 16 HG23 THR 2 2HG2 THR 2 6.760 -13.350 -3.696 17 H TYR 3 H TYR 3 4.586 -9.806 -0.446 18 HA TYR 3 HA TYR 3 2.160 -9.735 -2.111 19 HB2 TYR 3 2HB TYR 3 2.959 -8.342 0.410 20 HB3 TYR 3 1HB TYR 3 1.857 -7.531 -0.700 21 HD1 TYR 3 1HD TYR 3 1.844 -11.183 -0.252 22 HD2 TYR 3 2HD TYR 3 0.031 -7.487 0.812 23 HE1 TYR 3 1HE TYR 3 -0.061 -12.406 0.709 24 HE2 TYR 3 2HE TYR 3 -1.884 -8.699 1.778 25 HH TYR 3 HH TYR 3 -1.840 -12.090 2.297 26 H LYS 4 H LYS 4 1.709 -7.751 -3.287 27 HA LYS 4 HA LYS 4 4.101 -6.169 -3.935 28 HB2 LYS 4 2HB LYS 4 2.331 -7.701 -5.791 29 HB3 LYS 4 1HB LYS 4 3.023 -6.181 -6.346 30 HG2 LYS 4 2HG LYS 4 5.202 -7.430 -5.286 31 HG3 LYS 4 1HG LYS 4 4.281 -8.787 -5.936 32 HD2 LYS 4 2HD LYS 4 4.465 -6.447 -7.707 33 HD3 LYS 4 1HD LYS 4 5.998 -7.257 -7.381 34 HE2 LYS 4 2HE LYS 4 5.402 -9.128 -8.506 35 HE3 LYS 4 1HE LYS 4 3.712 -9.011 -8.018 36 HZ1 LYS 4 3HZ LYS 4 5.069 -7.519 -10.191 37 HZ2 LYS 4 1HZ LYS 4 3.524 -7.125 -9.625 38 HZ3 LYS 4 2HZ LYS 4 3.805 -8.634 -10.337 39 H LEU 5 H LEU 5 3.781 -4.024 -4.181 40 HA LEU 5 HA LEU 5 1.001 -3.038 -4.044 41 HB2 LEU 5 2HB LEU 5 2.456 -2.621 -1.967 42 HB3 LEU 5 1HB LEU 5 3.430 -1.594 -3.024 43 HG LEU 5 HG LEU 5 1.685 -0.035 -3.336 44 HD11 LEU 5 1HD1 LEU 5 -0.460 -0.782 -1.766 45 HD12 LEU 5 2HD1 LEU 5 -0.020 -2.255 -2.627 46 HD13 LEU 5 3HD1 LEU 5 -0.389 -0.786 -3.527 47 HD21 LEU 5 3HD2 LEU 5 0.981 0.366 -0.845 48 HD22 LEU 5 1HD2 LEU 5 2.657 0.570 -1.357 49 HD23 LEU 5 2HD2 LEU 5 2.162 -0.907 -0.532 50 H ILE 6 H ILE 6 0.423 -1.311 -5.253 51 HA ILE 6 HA ILE 6 2.467 -0.062 -6.904 52 HB ILE 6 HB ILE 6 -0.168 -1.006 -8.056 53 HG12 ILE 6 2HG1 ILE 6 1.326 -2.905 -7.572 54 HG13 ILE 6 1HG1 ILE 6 1.134 -2.659 -9.305 55 HG21 ILE 6 1HG2 ILE 6 2.240 0.308 -9.304 56 HG22 ILE 6 2HG2 ILE 6 0.620 0.985 -9.138 57 HG23 ILE 6 3HG2 ILE 6 0.897 -0.385 -10.214 58 HD11 ILE 6 3HD1 ILE 6 3.403 -1.207 -8.251 59 HD12 ILE 6 1HD1 ILE 6 3.311 -2.353 -9.589 60 HD13 ILE 6 2HD1 ILE 6 3.508 -2.940 -7.937 61 H LEU 7 H LEU 7 2.339 2.047 -6.481 62 HA LEU 7 HA LEU 7 -0.220 3.144 -5.582 63 HB2 LEU 7 2HB LEU 7 2.478 4.479 -5.470 64 HB3 LEU 7 1HB LEU 7 1.012 4.957 -4.626 65 HG LEU 7 HG LEU 7 1.168 2.702 -3.422 66 HD11 LEU 7 1HD1 LEU 7 3.594 2.642 -5.054 67 HD12 LEU 7 2HD1 LEU 7 2.712 1.328 -4.280 68 HD13 LEU 7 3HD1 LEU 7 3.860 2.287 -3.347 69 HD21 LEU 7 3HD2 LEU 7 2.866 5.104 -3.039 70 HD22 LEU 7 1HD2 LEU 7 3.199 3.692 -2.034 71 HD23 LEU 7 2HD2 LEU 7 1.600 4.433 -2.011 72 H ASN 8 H ASN 8 -1.346 4.590 -6.691 73 HA ASN 8 HA ASN 8 -0.080 5.837 -9.043 74 HB2 ASN 8 2HB ASN 8 -2.405 4.055 -8.942 75 HB3 ASN 8 1HB ASN 8 -2.724 5.567 -9.794 76 HD21 ASN 8 1HD2 ASN 8 -0.515 6.148 -11.101 77 HD22 ASN 8 2HD2 ASN 8 -0.067 4.893 -12.201 78 H LEU 9 H LEU 9 0.020 7.934 -8.584 79 HA LEU 9 HA LEU 9 -2.348 9.209 -7.371 80 HB2 LEU 9 2HB LEU 9 -1.011 10.622 -6.121 81 HB3 LEU 9 1HB LEU 9 -0.055 9.143 -6.096 82 HG LEU 9 HG LEU 9 0.433 11.502 -7.926 83 HD11 LEU 9 1HD1 LEU 9 0.923 12.015 -5.587 84 HD12 LEU 9 2HD1 LEU 9 2.399 11.904 -6.547 85 HD13 LEU 9 3HD1 LEU 9 1.937 10.575 -5.483 86 HD21 LEU 9 3HD2 LEU 9 1.584 8.779 -7.718 87 HD22 LEU 9 1HD2 LEU 9 2.701 10.113 -8.002 88 HD23 LEU 9 2HD2 LEU 9 1.376 9.819 -9.127 89 H LYS 10 H LYS 10 -0.216 9.135 -10.066 90 HA LYS 10 HA LYS 10 -1.813 11.090 -11.436 91 HB2 LYS 10 2HB LYS 10 0.695 11.863 -10.218 92 HB3 LYS 10 1HB LYS 10 0.765 12.056 -11.962 93 HG2 LYS 10 2HG LYS 10 -1.075 13.544 -11.963 94 HG3 LYS 10 1HG LYS 10 -1.466 13.168 -10.283 95 HD2 LYS 10 2HD LYS 10 -0.350 15.331 -10.457 96 HD3 LYS 10 1HD LYS 10 0.650 14.179 -9.573 97 HE2 LYS 10 2HE LYS 10 1.015 14.515 -12.519 98 HE3 LYS 10 1HE LYS 10 1.721 15.688 -11.409 99 HZ1 LYS 10 3HZ LYS 10 3.423 14.267 -11.336 100 HZ2 LYS 10 1HZ LYS 10 2.525 12.983 -11.975 101 HZ3 LYS 10 2HZ LYS 10 2.448 13.324 -10.317 102 H GLN 11 H GLN 11 1.565 10.155 -11.978 103 HA GLN 11 HA GLN 11 0.696 8.494 -14.244 104 HB2 GLN 11 2HB GLN 11 2.835 10.619 -14.238 105 HB3 GLN 11 1HB GLN 11 2.731 9.369 -15.481 106 HG2 GLN 11 2HG GLN 11 1.375 10.713 -16.592 107 HG3 GLN 11 1HG GLN 11 0.171 10.441 -15.342 108 HE21 GLN 11 1HE2 GLN 11 -0.727 12.461 -15.459 109 HE22 GLN 11 2HE2 GLN 11 0.097 13.893 -14.953 110 H ALA 12 H ALA 12 3.624 9.431 -12.430 111 HA ALA 12 HA ALA 12 5.038 7.056 -12.891 112 HB1 ALA 12 1HB ALA 12 5.389 8.660 -10.384 113 HB2 ALA 12 2HB ALA 12 5.856 9.315 -11.952 114 HB3 ALA 12 3HB ALA 12 6.606 7.834 -11.361 115 H LYS 13 H LYS 13 4.978 5.084 -11.984 116 HA LYS 13 HA LYS 13 3.053 4.665 -9.806 117 HB2 LYS 13 2HB LYS 13 3.028 2.283 -10.562 118 HB3 LYS 13 1HB LYS 13 2.553 3.386 -11.848 119 HG2 LYS 13 2HG LYS 13 5.312 3.117 -12.103 120 HG3 LYS 13 1HG LYS 13 4.723 1.495 -11.739 121 HD2 LYS 13 2HD LYS 13 3.197 3.061 -13.741 122 HD3 LYS 13 1HD LYS 13 4.796 2.497 -14.224 123 HE2 LYS 13 2HE LYS 13 2.827 0.633 -12.952 124 HE3 LYS 13 1HE LYS 13 2.748 0.985 -14.673 125 HZ1 LYS 13 3HZ LYS 13 4.051 -0.994 -14.251 126 HZ2 LYS 13 1HZ LYS 13 5.094 -0.132 -13.234 127 HZ3 LYS 13 2HZ LYS 13 5.039 0.223 -14.888 128 H GLU 14 H GLU 14 3.698 3.956 -7.882 129 HA GLU 14 HA GLU 14 6.549 3.404 -7.499 130 HB2 GLU 14 2HB GLU 14 4.453 4.668 -5.903 131 HB3 GLU 14 1HB GLU 14 5.383 3.485 -4.982 132 HG2 GLU 14 2HG GLU 14 6.574 5.759 -6.556 133 HG3 GLU 14 1HG GLU 14 6.265 5.783 -4.820 134 H GLU 15 H GLU 15 7.196 1.635 -6.080 135 HA GLU 15 HA GLU 15 5.262 -0.590 -6.139 136 HB2 GLU 15 2HB GLU 15 8.250 -0.922 -6.328 137 HB3 GLU 15 1HB GLU 15 7.003 -2.115 -6.663 138 HG2 GLU 15 2HG GLU 15 6.321 -0.263 -8.466 139 HG3 GLU 15 1HG GLU 15 8.050 0.064 -8.352 140 H ALA 16 H ALA 16 5.614 -2.280 -4.542 141 HA ALA 16 HA ALA 16 7.271 -1.883 -2.273 142 HB1 ALA 16 1HB ALA 16 4.452 -1.803 -1.372 143 HB2 ALA 16 2HB ALA 16 5.022 -0.324 -2.147 144 HB3 ALA 16 3HB ALA 16 5.860 -0.956 -0.726 145 H ILE 17 H ILE 17 7.372 -3.753 -1.061 146 HA ILE 17 HA ILE 17 5.452 -5.882 -1.667 147 HB ILE 17 HB ILE 17 7.492 -7.470 -1.661 148 HG12 ILE 17 2HG1 ILE 17 8.802 -4.924 -2.644 149 HG13 ILE 17 1HG1 ILE 17 9.138 -5.699 -1.099 150 HG21 ILE 17 1HG2 ILE 17 6.556 -7.692 -3.675 151 HG22 ILE 17 2HG2 ILE 17 7.772 -6.553 -4.249 152 HG23 ILE 17 3HG2 ILE 17 6.175 -5.974 -3.777 153 HD11 ILE 17 3HD1 ILE 17 10.582 -7.089 -2.036 154 HD12 ILE 17 1HD1 ILE 17 10.432 -6.133 -3.511 155 HD13 ILE 17 2HD1 ILE 17 9.423 -7.561 -3.278 156 H LYS 18 H LYS 18 5.111 -7.359 -0.072 157 HA LYS 18 HA LYS 18 6.731 -7.187 2.348 158 HB2 LYS 18 2HB LYS 18 3.726 -7.067 2.517 159 HB3 LYS 18 1HB LYS 18 4.900 -6.752 3.790 160 HG2 LYS 18 2HG LYS 18 4.669 -5.063 1.335 161 HG3 LYS 18 1HG LYS 18 3.754 -4.739 2.800 162 HD2 LYS 18 2HD LYS 18 5.661 -4.161 4.001 163 HD3 LYS 18 1HD LYS 18 6.731 -5.058 2.923 164 HE2 LYS 18 2HE LYS 18 6.441 -3.412 1.190 165 HE3 LYS 18 1HE LYS 18 5.237 -2.556 2.152 166 HZ1 LYS 18 3HZ LYS 18 7.072 -2.276 3.847 167 HZ2 LYS 18 1HZ LYS 18 7.223 -1.373 2.424 168 HZ3 LYS 18 2HZ LYS 18 8.147 -2.773 2.641 169 H GLU 19 H GLU 19 7.123 -9.122 3.207 170 HA GLU 19 HA GLU 19 5.642 -11.414 2.155 171 HB2 GLU 19 2HB GLU 19 8.381 -11.009 3.252 172 HB3 GLU 19 1HB GLU 19 7.637 -12.579 3.488 173 HG2 GLU 19 2HG GLU 19 7.155 -12.157 0.852 174 HG3 GLU 19 1HG GLU 19 8.703 -11.342 1.060 175 H ALA 20 H ALA 20 3.937 -11.953 3.359 176 HA ALA 20 HA ALA 20 4.345 -12.442 6.206 177 HB1 ALA 20 1HB ALA 20 3.254 -10.086 5.537 178 HB2 ALA 20 2HB ALA 20 2.845 -10.966 7.009 179 HB3 ALA 20 3HB ALA 20 1.803 -11.087 5.591 180 H VAL 21 H VAL 21 2.129 -13.356 7.110 181 HA VAL 21 HA VAL 21 1.452 -15.580 5.344 182 HB VAL 21 HB VAL 21 2.121 -16.073 7.661 183 HG11 VAL 21 1HG1 VAL 21 -0.420 -15.192 8.830 184 HG12 VAL 21 2HG1 VAL 21 0.681 -13.890 8.376 185 HG13 VAL 21 3HG1 VAL 21 1.214 -15.153 9.492 186 HG21 VAL 21 3HG2 VAL 21 0.157 -17.254 6.229 187 HG22 VAL 21 1HG2 VAL 21 -0.712 -16.871 7.713 188 HG23 VAL 21 2HG2 VAL 21 0.745 -17.861 7.777 189 H ASP 22 H ASP 22 0.012 -12.764 6.813 190 HA ASP 22 HA ASP 22 -2.606 -13.516 5.731 191 HB2 ASP 22 2HB ASP 22 -2.038 -12.698 8.238 192 HB3 ASP 22 1HB ASP 22 -2.342 -11.136 7.485 193 H ALA 23 H ALA 23 -3.425 -10.652 5.915 194 HA ALA 23 HA ALA 23 -1.946 -9.564 3.621 195 HB1 ALA 23 1HB ALA 23 -3.887 -9.060 2.425 196 HB2 ALA 23 2HB ALA 23 -4.926 -9.299 3.830 197 HB3 ALA 23 3HB ALA 23 -4.176 -10.687 3.041 198 H GLY 24 H GLY 24 -4.130 -8.908 6.329 199 HA2 GLY 24 2HA GLY 24 -4.262 -6.156 6.225 200 HA3 GLY 24 1HA GLY 24 -4.290 -7.084 7.714 201 H ILE 25 H ILE 25 -1.560 -8.146 7.114 202 HA ILE 25 HA ILE 25 -0.097 -6.161 8.525 203 HB ILE 25 HB ILE 25 0.747 -8.731 7.188 204 HG12 ILE 25 2HG1 ILE 25 -0.553 -9.050 9.200 205 HG13 ILE 25 1HG1 ILE 25 1.129 -9.424 9.558 206 HG21 ILE 25 1HG2 ILE 25 2.841 -8.195 8.777 207 HG22 ILE 25 2HG2 ILE 25 2.410 -6.555 8.295 208 HG23 ILE 25 3HG2 ILE 25 2.789 -7.764 7.068 209 HD11 ILE 25 3HD1 ILE 25 0.897 -6.737 10.166 210 HD12 ILE 25 1HD1 ILE 25 0.925 -8.082 11.306 211 HD13 ILE 25 2HD1 ILE 25 -0.616 -7.447 10.729 212 H ALA 26 H ALA 26 -0.103 -7.255 5.147 213 HA ALA 26 HA ALA 26 2.035 -5.623 4.324 214 HB1 ALA 26 1HB ALA 26 1.150 -7.584 3.061 215 HB2 ALA 26 2HB ALA 26 1.457 -6.138 2.095 216 HB3 ALA 26 3HB ALA 26 -0.194 -6.562 2.552 217 H GLU 27 H GLU 27 -1.490 -5.092 4.256 218 HA GLU 27 HA GLU 27 -1.420 -2.650 2.888 219 HB2 GLU 27 2HB GLU 27 -3.588 -2.118 3.905 220 HB3 GLU 27 1HB GLU 27 -3.559 -3.762 3.286 221 HG2 GLU 27 2HG GLU 27 -2.999 -4.478 5.635 222 HG3 GLU 27 1HG GLU 27 -3.405 -2.839 6.133 223 H LYS 28 H LYS 28 -0.761 -3.457 6.217 224 HA LYS 28 HA LYS 28 -0.803 -0.839 7.280 225 HB2 LYS 28 2HB LYS 28 0.716 -3.309 8.133 226 HB3 LYS 28 1HB LYS 28 0.706 -1.809 9.052 227 HG2 LYS 28 2HG LYS 28 -1.586 -1.993 9.526 228 HG3 LYS 28 1HG LYS 28 -1.809 -3.254 8.315 229 HD2 LYS 28 2HD LYS 28 -0.117 -4.593 9.752 230 HD3 LYS 28 1HD LYS 28 -0.528 -3.431 11.016 231 HE2 LYS 28 2HE LYS 28 -2.746 -4.756 9.543 232 HE3 LYS 28 1HE LYS 28 -1.850 -5.705 10.729 233 HZ1 LYS 28 3HZ LYS 28 -2.745 -3.056 11.556 234 HZ2 LYS 28 1HZ LYS 28 -2.655 -4.493 12.443 235 HZ3 LYS 28 2HZ LYS 28 -3.939 -4.239 11.373 236 H TYR 29 H TYR 29 1.652 -2.750 5.655 237 HA TYR 29 HA TYR 29 3.701 -0.732 6.001 238 HB2 TYR 29 2HB TYR 29 3.566 -3.447 4.858 239 HB3 TYR 29 1HB TYR 29 4.671 -2.341 4.041 240 HD1 TYR 29 2HD TYR 29 5.585 -0.619 6.136 241 HD2 TYR 29 1HD TYR 29 5.048 -4.835 6.194 242 HE1 TYR 29 2HE TYR 29 7.257 -0.775 7.877 243 HE2 TYR 29 1HE TYR 29 6.755 -5.022 7.962 244 HH TYR 29 HH TYR 29 8.658 -3.746 8.823 245 H PHE 30 H PHE 30 1.548 -1.856 3.588 246 HA PHE 30 HA PHE 30 2.569 -0.450 1.396 247 HB2 PHE 30 2HB PHE 30 -0.173 -1.541 2.084 248 HB3 PHE 30 1HB PHE 30 0.195 -0.842 0.507 249 HD1 PHE 30 2HD PHE 30 3.178 -2.208 0.935 250 HD2 PHE 30 1HD PHE 30 -0.808 -3.531 0.793 251 HE1 PHE 30 2HE PHE 30 3.951 -4.345 0.041 252 HE2 PHE 30 1HE PHE 30 -0.075 -5.707 -0.090 253 HZ PHE 30 HZ PHE 30 2.326 -6.101 -0.465 254 H LYS 31 H LYS 31 0.224 0.221 3.917 255 HA LYS 31 HA LYS 31 -0.321 2.885 2.961 256 HB2 LYS 31 2HB LYS 31 -1.759 3.122 4.849 257 HB3 LYS 31 1HB LYS 31 -2.000 1.489 4.241 258 HG2 LYS 31 2HG LYS 31 -0.340 0.750 6.020 259 HG3 LYS 31 1HG LYS 31 -0.517 2.366 6.704 260 HD2 LYS 31 2HD LYS 31 -2.772 0.422 6.215 261 HD3 LYS 31 1HD LYS 31 -2.004 0.716 7.775 262 HE2 LYS 31 2HE LYS 31 -3.213 2.557 8.121 263 HE3 LYS 31 1HE LYS 31 -2.854 3.181 6.512 264 HZ1 LYS 31 3HZ LYS 31 -5.272 2.667 7.094 265 HZ2 LYS 31 1HZ LYS 31 -4.849 1.040 6.902 266 HZ3 LYS 31 2HZ LYS 31 -4.689 2.114 5.605 267 H LEU 32 H LEU 32 1.998 1.248 4.917 268 HA LEU 32 HA LEU 32 2.817 3.454 6.521 269 HB2 LEU 32 2HB LEU 32 3.369 0.907 6.755 270 HB3 LEU 32 1HB LEU 32 4.733 1.292 5.720 271 HG LEU 32 HG LEU 32 5.600 1.440 7.868 272 HD11 LEU 32 1HD1 LEU 32 5.938 3.471 6.391 273 HD12 LEU 32 2HD1 LEU 32 6.248 3.690 8.116 274 HD13 LEU 32 3HD1 LEU 32 4.747 4.280 7.406 275 HD21 LEU 32 3HD2 LEU 32 2.912 2.461 8.561 276 HD22 LEU 32 1HD2 LEU 32 4.262 3.057 9.513 277 HD23 LEU 32 2HD2 LEU 32 3.952 1.326 9.422 278 H ILE 33 H ILE 33 3.932 2.143 3.410 279 HA ILE 33 HA ILE 33 5.772 4.359 3.089 280 HB ILE 33 HB ILE 33 6.477 2.143 2.316 281 HG12 ILE 33 2HG1 ILE 33 7.474 2.855 0.301 282 HG13 ILE 33 1HG1 ILE 33 6.088 3.848 -0.136 283 HG21 ILE 33 1HG2 ILE 33 4.139 2.394 0.435 284 HG22 ILE 33 2HG2 ILE 33 4.393 1.166 1.675 285 HG23 ILE 33 3HG2 ILE 33 5.432 1.209 0.250 286 HD11 ILE 33 3HD1 ILE 33 6.767 5.601 1.146 287 HD12 ILE 33 1HD1 ILE 33 8.339 4.888 0.775 288 HD13 ILE 33 2HD1 ILE 33 7.569 4.564 2.328 289 H ALA 34 H ALA 34 2.647 3.275 1.866 290 HA ALA 34 HA ALA 34 2.414 5.037 -0.301 291 HB1 ALA 34 1HB ALA 34 -0.021 4.748 -0.045 292 HB2 ALA 34 2HB ALA 34 0.255 3.964 1.509 293 HB3 ALA 34 3HB ALA 34 0.844 3.212 0.027 294 H ASN 35 H ASN 35 2.047 5.488 3.135 295 HA ASN 35 HA ASN 35 0.930 8.147 2.864 296 HB2 ASN 35 2HB ASN 35 0.440 6.480 4.770 297 HB3 ASN 35 1HB ASN 35 2.016 6.943 5.405 298 HD21 ASN 35 1HD2 ASN 35 -1.242 7.946 4.801 299 HD22 ASN 35 2HD2 ASN 35 -1.184 9.404 5.725 300 H ALA 36 H ALA 36 4.011 6.603 3.478 301 HA ALA 36 HA ALA 36 5.382 9.024 4.186 302 HB1 ALA 36 1HB ALA 36 7.048 6.840 3.200 303 HB2 ALA 36 2HB ALA 36 5.930 6.353 4.474 304 HB3 ALA 36 3HB ALA 36 7.062 7.669 4.751 305 H LYS 37 H LYS 37 4.722 7.256 1.258 306 HA LYS 37 HA LYS 37 6.542 8.935 -0.287 307 HB2 LYS 37 2HB LYS 37 4.962 6.467 -0.971 308 HB3 LYS 37 1HB LYS 37 5.604 7.500 -2.234 309 HG2 LYS 37 2HG LYS 37 7.569 6.808 -0.195 310 HG3 LYS 37 1HG LYS 37 6.920 5.418 -1.065 311 HD2 LYS 37 2HD LYS 37 8.493 5.912 -2.593 312 HD3 LYS 37 1HD LYS 37 7.365 7.170 -3.101 313 HE2 LYS 37 2HE LYS 37 9.065 8.581 -2.747 314 HE3 LYS 37 1HE LYS 37 8.688 8.381 -1.037 315 HZ1 LYS 37 3HZ LYS 37 10.921 7.341 -2.578 316 HZ2 LYS 37 1HZ LYS 37 10.268 6.288 -1.425 317 HZ3 LYS 37 2HZ LYS 37 10.847 7.803 -0.955 318 H THR 38 H THR 38 3.112 7.975 -0.417 319 HA THR 38 HA THR 38 2.528 10.519 -1.781 320 HB THR 38 HB THR 38 0.476 8.392 -1.788 321 HG1 THR 38 1HG THR 38 2.290 7.117 -2.116 322 HG21 THR 38 3HG2 THR 38 0.971 9.072 -4.378 323 HG22 THR 38 1HG2 THR 38 1.373 10.560 -3.520 324 HG23 THR 38 2HG2 THR 38 -0.225 9.837 -3.330 325 H VAL 39 H VAL 39 -0.291 10.408 -1.383 326 HA VAL 39 HA VAL 39 -0.399 11.027 1.491 327 HB VAL 39 HB VAL 39 -2.624 12.238 0.585 328 HG11 VAL 39 1HG1 VAL 39 -1.579 14.127 1.218 329 HG12 VAL 39 2HG1 VAL 39 -0.195 13.845 0.161 330 HG13 VAL 39 3HG1 VAL 39 -0.302 13.015 1.713 331 HG21 VAL 39 3HG2 VAL 39 -1.852 11.500 -1.788 332 HG22 VAL 39 1HG2 VAL 39 -0.723 12.847 -1.645 333 HG23 VAL 39 2HG2 VAL 39 -2.460 13.136 -1.543 334 H GLU 40 H GLU 40 -2.714 10.007 -1.063 335 HA GLU 40 HA GLU 40 -3.479 7.665 0.282 336 HB2 GLU 40 2HB GLU 40 -4.548 9.921 1.463 337 HB3 GLU 40 1HB GLU 40 -5.835 9.403 0.374 338 HG2 GLU 40 2HG GLU 40 -5.980 7.281 1.416 339 HG3 GLU 40 1HG GLU 40 -4.496 7.554 2.329 340 H GLY 41 H GLY 41 -6.181 7.619 -0.548 341 HA2 GLY 41 2HA GLY 41 -7.096 8.346 -2.934 342 HA3 GLY 41 1HA GLY 41 -5.771 7.291 -3.429 343 H VAL 42 H VAL 42 -7.640 6.133 -4.467 344 HA VAL 42 HA VAL 42 -9.406 4.676 -2.714 345 HB VAL 42 HB VAL 42 -9.968 3.402 -4.868 346 HG11 VAL 42 1HG1 VAL 42 -11.629 4.882 -5.232 347 HG12 VAL 42 2HG1 VAL 42 -10.524 6.248 -5.390 348 HG13 VAL 42 3HG1 VAL 42 -10.971 5.656 -3.790 349 HG21 VAL 42 3HG2 VAL 42 -9.266 4.280 -6.945 350 HG22 VAL 42 1HG2 VAL 42 -7.803 4.096 -5.980 351 HG23 VAL 42 2HG2 VAL 42 -8.528 5.690 -6.186 352 H TRP 43 H TRP 43 -8.476 3.208 -1.437 353 HA TRP 43 HA TRP 43 -6.222 1.653 -2.277 354 HB2 TRP 43 2HB TRP 43 -7.710 2.248 0.188 355 HB3 TRP 43 1HB TRP 43 -6.963 0.668 0.130 356 HD1 TRP 43 HD TRP 43 -6.115 4.403 0.177 357 HE1 TRP 43 1HE TRP 43 -3.641 4.700 0.788 358 HE3 TRP 43 3HE TRP 43 -4.611 -0.516 0.088 359 HZ2 TRP 43 2HZ TRP 43 -1.375 3.085 1.188 360 HZ3 TRP 43 3HZ TRP 43 -2.260 -0.998 0.604 361 HH2 TRP 43 HH TRP 43 -0.693 0.754 1.130 362 H THR 44 H THR 44 -6.228 -0.369 -3.025 363 HA THR 44 HA THR 44 -8.509 -2.118 -2.559 364 HB THR 44 HB THR 44 -8.300 -2.703 -5.123 365 HG1 THR 44 1HG THR 44 -7.883 -0.835 -6.342 366 HG21 THR 44 3HG2 THR 44 -10.396 -2.003 -4.302 367 HG22 THR 44 1HG2 THR 44 -10.019 -0.957 -5.671 368 HG23 THR 44 2HG2 THR 44 -9.818 -0.361 -4.023 369 H TYR 45 H TYR 45 -8.051 -4.354 -2.975 370 HA TYR 45 HA TYR 45 -5.242 -5.004 -3.494 371 HB2 TYR 45 2HB TYR 45 -5.144 -5.043 -1.161 372 HB3 TYR 45 1HB TYR 45 -6.777 -5.690 -0.997 373 HD1 TYR 45 1HD TYR 45 -3.326 -6.578 -2.059 374 HD2 TYR 45 2HD TYR 45 -7.123 -7.998 -0.769 375 HE1 TYR 45 1HE TYR 45 -2.392 -8.840 -1.816 376 HE2 TYR 45 2HE TYR 45 -6.199 -10.263 -0.523 377 HH TYR 45 HH TYR 45 -3.920 -11.290 -0.139 378 H LYS 46 H LYS 46 -4.883 -6.954 -4.476 379 HA LYS 46 HA LYS 46 -7.297 -8.420 -5.314 380 HB2 LYS 46 2HB LYS 46 -4.628 -8.298 -6.729 381 HB3 LYS 46 1HB LYS 46 -6.111 -9.042 -7.330 382 HG2 LYS 46 2HG LYS 46 -6.305 -6.189 -6.623 383 HG3 LYS 46 1HG LYS 46 -5.281 -6.577 -8.008 384 HD2 LYS 46 2HD LYS 46 -7.227 -6.468 -9.144 385 HD3 LYS 46 1HD LYS 46 -7.433 -8.116 -8.547 386 HE2 LYS 46 2HE LYS 46 -8.848 -7.413 -6.798 387 HE3 LYS 46 1HE LYS 46 -8.399 -5.721 -7.011 388 HZ1 LYS 46 3HZ LYS 46 -9.835 -5.461 -8.711 389 HZ2 LYS 46 1HZ LYS 46 -10.629 -6.769 -7.988 390 HZ3 LYS 46 2HZ LYS 46 -9.607 -7.026 -9.311 391 H ASP 47 H ASP 47 -7.431 -10.574 -4.990 392 HA ASP 47 HA ASP 47 -5.383 -11.788 -3.312 393 HB2 ASP 47 2HB ASP 47 -7.748 -12.007 -2.660 394 HB3 ASP 47 1HB ASP 47 -8.086 -12.849 -4.172 395 H GLU 48 H GLU 48 -6.627 -11.978 -6.547 396 HA GLU 48 HA GLU 48 -5.917 -14.466 -7.416 397 HB2 GLU 48 2HB GLU 48 -6.785 -12.235 -8.648 398 HB3 GLU 48 1HB GLU 48 -5.119 -12.247 -9.210 399 HG2 GLU 48 2HG GLU 48 -5.445 -14.534 -10.046 400 HG3 GLU 48 1HG GLU 48 -7.131 -14.459 -9.535 401 H ILE 49 H ILE 49 -3.772 -11.796 -6.669 402 HA ILE 49 HA ILE 49 -1.509 -13.625 -6.813 403 HB ILE 49 HB ILE 49 -0.112 -12.090 -8.083 404 HG12 ILE 49 2HG1 ILE 49 -1.320 -10.006 -7.435 405 HG13 ILE 49 1HG1 ILE 49 -0.992 -10.114 -9.161 406 HG21 ILE 49 1HG2 ILE 49 -1.291 -13.839 -9.286 407 HG22 ILE 49 2HG2 ILE 49 -1.149 -12.386 -10.283 408 HG23 ILE 49 3HG2 ILE 49 -2.682 -12.772 -9.503 409 HD11 ILE 49 3HD1 ILE 49 -3.139 -9.456 -9.292 410 HD12 ILE 49 1HD1 ILE 49 -3.555 -10.117 -7.711 411 HD13 ILE 49 2HD1 ILE 49 -3.444 -11.183 -9.111 412 H LYS 50 H LYS 50 -3.114 -11.935 -4.811 413 HA LYS 50 HA LYS 50 -2.748 -10.613 -2.985 414 HB2 LYS 50 2HB LYS 50 0.032 -11.768 -2.978 415 HB3 LYS 50 1HB LYS 50 -0.965 -11.315 -1.602 416 HG2 LYS 50 2HG LYS 50 -2.513 -13.163 -2.183 417 HG3 LYS 50 1HG LYS 50 -1.382 -13.649 -3.443 418 HD2 LYS 50 2HD LYS 50 -0.366 -14.896 -1.897 419 HD3 LYS 50 1HD LYS 50 0.193 -13.389 -1.170 420 HE2 LYS 50 2HE LYS 50 -0.845 -14.643 0.558 421 HE3 LYS 50 1HE LYS 50 -1.963 -13.342 0.127 422 HZ1 LYS 50 3HZ LYS 50 -2.172 -16.231 -0.416 423 HZ2 LYS 50 1HZ LYS 50 -2.959 -15.125 -1.432 424 HZ3 LYS 50 2HZ LYS 50 -3.330 -15.176 0.216 425 H THR 51 H THR 51 -2.796 -8.678 -4.359 426 HA THR 51 HA THR 51 -0.306 -7.189 -4.065 427 HB THR 51 HB THR 51 -1.817 -7.280 -6.681 428 HG1 THR 51 1HG THR 51 0.542 -8.550 -5.810 429 HG21 THR 51 3HG2 THR 51 -0.188 -5.902 -7.611 430 HG22 THR 51 1HG2 THR 51 0.896 -6.098 -6.234 431 HG23 THR 51 2HG2 THR 51 -0.577 -5.144 -6.068 432 H PHE 52 H PHE 52 -0.641 -5.216 -3.308 433 HA PHE 52 HA PHE 52 -3.387 -4.220 -3.169 434 HB2 PHE 52 2HB PHE 52 -1.032 -4.046 -1.488 435 HB3 PHE 52 1HB PHE 52 -1.763 -2.473 -1.727 436 HD1 PHE 52 1HD PHE 52 -4.026 -2.035 -0.943 437 HD2 PHE 52 2HD PHE 52 -2.115 -5.768 -0.233 438 HE1 PHE 52 1HE PHE 52 -5.706 -2.559 0.778 439 HE2 PHE 52 2HE PHE 52 -3.793 -6.304 1.489 440 HZ PHE 52 HZ PHE 52 -5.592 -4.698 1.996 441 H THR 53 H THR 53 -3.989 -2.245 -3.962 442 HA THR 53 HA THR 53 -2.008 -0.639 -5.389 443 HB THR 53 HB THR 53 -4.543 -1.572 -6.735 444 HG1 THR 53 1HG THR 53 -3.309 -3.017 -7.821 445 HG21 THR 53 3HG2 THR 53 -3.433 0.618 -7.452 446 HG22 THR 53 1HG2 THR 53 -3.787 -0.585 -8.692 447 HG23 THR 53 2HG2 THR 53 -2.142 -0.405 -8.080 448 H VAL 54 H VAL 54 -2.448 1.507 -5.523 449 HA VAL 54 HA VAL 54 -5.037 2.408 -4.446 450 HB VAL 54 HB VAL 54 -2.596 2.799 -3.162 451 HG11 VAL 54 1HG1 VAL 54 -2.183 5.214 -3.226 452 HG12 VAL 54 2HG1 VAL 54 -3.441 5.413 -4.447 453 HG13 VAL 54 3HG1 VAL 54 -1.972 4.521 -4.838 454 HG21 VAL 54 3HG2 VAL 54 -5.210 4.302 -2.936 455 HG22 VAL 54 1HG2 VAL 54 -3.926 4.356 -1.727 456 HG23 VAL 54 2HG2 VAL 54 -4.750 2.835 -2.076 457 H THR 55 H THR 55 -5.960 4.229 -5.379 458 HA THR 55 HA THR 55 -4.571 5.338 -7.720 459 HB THR 55 HB THR 55 -7.454 5.221 -8.090 460 HG1 THR 55 1HG THR 55 -6.089 2.741 -8.003 461 HG21 THR 55 3HG2 THR 55 -5.297 5.376 -9.723 462 HG22 THR 55 1HG2 THR 55 -6.925 4.934 -10.236 463 HG23 THR 55 2HG2 THR 55 -5.741 3.676 -9.883 464 H GLU 56 H GLU 56 -5.108 7.477 -8.274 465 HA GLU 56 HA GLU 56 -6.676 8.939 -6.256 466 HB2 GLU 56 2HB GLU 56 -4.099 9.135 -6.107 467 HB3 GLU 56 1HB GLU 56 -4.238 10.124 -7.554 468 HG2 GLU 56 2HG GLU 56 -6.131 11.201 -5.873 469 HG3 GLU 56 1HG GLU 56 -4.811 10.777 -4.784 Start of MODEL 16 1 H1 THR 1 1HT THR 1 3.575 -15.410 2.333 2 H2 THR 1 2HT THR 1 2.666 -16.661 1.599 3 H3 THR 1 3HT THR 1 2.059 -15.060 1.613 4 HA THR 1 HA THR 1 4.432 -16.044 0.187 5 HB THR 1 HB THR 1 2.813 -15.009 -1.682 6 HG1 THR 1 1HG THR 1 1.028 -16.082 0.239 7 HG21 THR 1 3HG2 THR 1 1.749 -17.604 -1.141 8 HG22 THR 1 1HG2 THR 1 3.495 -17.608 -0.888 9 HG23 THR 1 2HG2 THR 1 2.829 -17.088 -2.436 10 H THR 2 H THR 2 4.718 -14.228 -1.675 11 HA THR 2 HA THR 2 5.447 -11.832 -0.191 12 HB THR 2 HB THR 2 6.050 -12.540 -3.067 13 HG1 THR 2 1HG THR 2 6.951 -14.067 -1.658 14 HG21 THR 2 3HG2 THR 2 6.696 -10.385 -3.067 15 HG22 THR 2 1HG2 THR 2 8.127 -11.061 -2.279 16 HG23 THR 2 2HG2 THR 2 6.851 -10.317 -1.312 17 H TYR 3 H TYR 3 4.242 -10.069 -0.187 18 HA TYR 3 HA TYR 3 1.989 -9.838 -1.996 19 HB2 TYR 3 2HB TYR 3 2.901 -8.408 0.467 20 HB3 TYR 3 1HB TYR 3 1.778 -7.599 -0.624 21 HD1 TYR 3 1HD TYR 3 1.743 -11.240 -0.052 22 HD2 TYR 3 2HD TYR 3 -0.025 -7.492 0.899 23 HE1 TYR 3 1HE TYR 3 -0.152 -12.411 0.993 24 HE2 TYR 3 2HE TYR 3 -1.930 -8.650 1.949 25 HH TYR 3 HH TYR 3 -3.018 -11.074 1.621 26 H LYS 4 H LYS 4 1.554 -7.885 -3.216 27 HA LYS 4 HA LYS 4 3.970 -6.391 -3.980 28 HB2 LYS 4 2HB LYS 4 2.132 -7.971 -5.698 29 HB3 LYS 4 1HB LYS 4 2.701 -6.432 -6.338 30 HG2 LYS 4 2HG LYS 4 4.909 -7.122 -6.394 31 HG3 LYS 4 1HG LYS 4 4.642 -8.407 -5.213 32 HD2 LYS 4 2HD LYS 4 3.222 -9.565 -6.914 33 HD3 LYS 4 1HD LYS 4 3.719 -8.341 -8.083 34 HE2 LYS 4 2HE LYS 4 5.778 -9.224 -8.327 35 HE3 LYS 4 1HE LYS 4 5.915 -9.633 -6.617 36 HZ1 LYS 4 3HZ LYS 4 5.626 -11.441 -8.531 37 HZ2 LYS 4 1HZ LYS 4 3.999 -11.188 -8.153 38 HZ3 LYS 4 2HZ LYS 4 5.078 -11.676 -6.949 39 H LEU 5 H LEU 5 3.722 -4.243 -4.211 40 HA LEU 5 HA LEU 5 0.985 -3.152 -4.056 41 HB2 LEU 5 2HB LEU 5 2.455 -2.762 -1.989 42 HB3 LEU 5 1HB LEU 5 3.475 -1.793 -3.058 43 HG LEU 5 HG LEU 5 1.777 -0.178 -3.417 44 HD11 LEU 5 1HD1 LEU 5 -0.360 -0.815 -1.773 45 HD12 LEU 5 2HD1 LEU 5 0.009 -2.310 -2.630 46 HD13 LEU 5 3HD1 LEU 5 -0.330 -0.838 -3.536 47 HD21 LEU 5 3HD2 LEU 5 2.165 -0.974 -0.562 48 HD22 LEU 5 1HD2 LEU 5 1.169 0.416 -0.985 49 HD23 LEU 5 2HD2 LEU 5 2.870 0.374 -1.451 50 H ILE 6 H ILE 6 0.466 -1.413 -5.278 51 HA ILE 6 HA ILE 6 2.544 -0.263 -6.955 52 HB ILE 6 HB ILE 6 -0.124 -1.094 -8.113 53 HG12 ILE 6 2HG1 ILE 6 1.245 -3.072 -7.521 54 HG13 ILE 6 1HG1 ILE 6 1.047 -2.895 -9.262 55 HG21 ILE 6 1HG2 ILE 6 0.691 0.713 -9.350 56 HG22 ILE 6 2HG2 ILE 6 1.199 -0.704 -10.268 57 HG23 ILE 6 3HG2 ILE 6 2.358 0.148 -9.248 58 HD11 ILE 6 3HD1 ILE 6 3.242 -2.492 -9.604 59 HD12 ILE 6 1HD1 ILE 6 3.384 -3.427 -8.116 60 HD13 ILE 6 2HD1 ILE 6 3.448 -1.666 -8.060 61 H LEU 7 H LEU 7 2.482 1.856 -6.567 62 HA LEU 7 HA LEU 7 -0.038 3.042 -5.676 63 HB2 LEU 7 2HB LEU 7 2.722 4.251 -5.582 64 HB3 LEU 7 1HB LEU 7 1.275 4.855 -4.785 65 HG LEU 7 HG LEU 7 1.264 2.655 -3.484 66 HD11 LEU 7 1HD1 LEU 7 3.776 1.886 -3.277 67 HD12 LEU 7 2HD1 LEU 7 3.842 2.453 -4.945 68 HD13 LEU 7 3HD1 LEU 7 2.698 1.193 -4.487 69 HD21 LEU 7 3HD2 LEU 7 1.951 4.892 -2.607 70 HD22 LEU 7 1HD2 LEU 7 3.616 4.478 -3.012 71 HD23 LEU 7 2HD2 LEU 7 2.737 3.524 -1.818 72 H ASN 8 H ASN 8 -1.110 4.538 -6.773 73 HA ASN 8 HA ASN 8 0.177 5.759 -9.120 74 HB2 ASN 8 2HB ASN 8 -2.151 3.983 -9.068 75 HB3 ASN 8 1HB ASN 8 -2.468 5.509 -9.895 76 HD21 ASN 8 1HD2 ASN 8 -1.563 5.890 -11.849 77 HD22 ASN 8 2HD2 ASN 8 -0.601 4.741 -12.707 78 H LEU 9 H LEU 9 0.404 7.756 -8.216 79 HA LEU 9 HA LEU 9 -1.991 9.030 -7.093 80 HB2 LEU 9 2HB LEU 9 0.862 10.084 -7.035 81 HB3 LEU 9 1HB LEU 9 -0.492 10.699 -6.097 82 HG LEU 9 HG LEU 9 0.833 9.445 -4.600 83 HD11 LEU 9 1HD1 LEU 9 -1.522 9.028 -4.306 84 HD12 LEU 9 2HD1 LEU 9 -0.621 7.547 -3.977 85 HD13 LEU 9 3HD1 LEU 9 -1.478 7.738 -5.507 86 HD21 LEU 9 3HD2 LEU 9 0.729 6.887 -6.060 87 HD22 LEU 9 1HD2 LEU 9 2.014 7.582 -5.070 88 HD23 LEU 9 2HD2 LEU 9 1.793 8.122 -6.735 89 H LYS 10 H LYS 10 -1.590 8.603 -9.956 90 HA LYS 10 HA LYS 10 -1.831 9.694 -11.937 91 HB2 LYS 10 2HB LYS 10 -3.531 10.879 -10.150 92 HB3 LYS 10 1HB LYS 10 -2.628 12.263 -10.748 93 HG2 LYS 10 2HG LYS 10 -3.240 11.707 -13.025 94 HG3 LYS 10 1HG LYS 10 -4.091 10.269 -12.467 95 HD2 LYS 10 2HD LYS 10 -5.685 11.619 -11.271 96 HD3 LYS 10 1HD LYS 10 -4.775 13.087 -11.635 97 HE2 LYS 10 2HE LYS 10 -5.587 11.472 -13.960 98 HE3 LYS 10 1HE LYS 10 -6.901 12.229 -13.063 99 HZ1 LYS 10 3HZ LYS 10 -6.259 14.288 -13.677 100 HZ2 LYS 10 1HZ LYS 10 -5.581 13.462 -14.989 101 HZ3 LYS 10 2HZ LYS 10 -4.612 13.913 -13.677 102 H GLN 11 H GLN 11 0.742 9.845 -10.636 103 HA GLN 11 HA GLN 11 1.827 12.064 -12.155 104 HB2 GLN 11 2HB GLN 11 1.304 12.592 -9.566 105 HB3 GLN 11 1HB GLN 11 2.918 11.904 -9.407 106 HG2 GLN 11 2HG GLN 11 3.411 14.117 -9.659 107 HG3 GLN 11 1HG GLN 11 3.479 13.577 -11.334 108 HE21 GLN 11 1HE2 GLN 11 2.598 14.985 -12.659 109 HE22 GLN 11 2HE2 GLN 11 1.198 15.948 -12.339 110 H ALA 12 H ALA 12 2.790 9.687 -9.680 111 HA ALA 12 HA ALA 12 4.705 8.557 -11.582 112 HB1 ALA 12 1HB ALA 12 5.907 10.216 -10.185 113 HB2 ALA 12 2HB ALA 12 6.511 8.571 -9.993 114 HB3 ALA 12 3HB ALA 12 5.470 9.283 -8.759 115 H LYS 13 H LYS 13 5.182 6.382 -11.261 116 HA LYS 13 HA LYS 13 3.274 4.980 -9.552 117 HB2 LYS 13 2HB LYS 13 3.842 2.983 -10.881 118 HB3 LYS 13 1HB LYS 13 3.435 4.321 -11.950 119 HG2 LYS 13 2HG LYS 13 5.930 4.749 -12.122 120 HG3 LYS 13 1HG LYS 13 6.145 3.183 -11.338 121 HD2 LYS 13 2HD LYS 13 6.215 2.559 -13.544 122 HD3 LYS 13 1HD LYS 13 4.492 2.378 -13.216 123 HE2 LYS 13 2HE LYS 13 4.006 4.485 -14.232 124 HE3 LYS 13 1HE LYS 13 5.718 4.877 -14.362 125 HZ1 LYS 13 3HZ LYS 13 4.072 3.171 -16.040 126 HZ2 LYS 13 1HZ LYS 13 5.630 2.597 -15.722 127 HZ3 LYS 13 2HZ LYS 13 5.420 4.114 -16.446 128 H GLU 14 H GLU 14 3.874 3.490 -7.999 129 HA GLU 14 HA GLU 14 6.736 3.243 -7.401 130 HB2 GLU 14 2HB GLU 14 4.685 4.559 -5.764 131 HB3 GLU 14 1HB GLU 14 5.611 3.340 -4.887 132 HG2 GLU 14 2HG GLU 14 6.915 5.509 -6.504 133 HG3 GLU 14 1HG GLU 14 6.476 5.715 -4.809 134 H GLU 15 H GLU 15 7.262 1.418 -6.024 135 HA GLU 15 HA GLU 15 5.199 -0.686 -6.094 136 HB2 GLU 15 2HB GLU 15 8.151 -1.213 -6.371 137 HB3 GLU 15 1HB GLU 15 6.817 -2.303 -6.713 138 HG2 GLU 15 2HG GLU 15 6.278 -1.221 -8.703 139 HG3 GLU 15 1HG GLU 15 7.177 0.230 -8.263 140 H ALA 16 H ALA 16 5.542 -2.444 -4.530 141 HA ALA 16 HA ALA 16 7.276 -2.129 -2.307 142 HB1 ALA 16 1HB ALA 16 5.119 -0.475 -2.099 143 HB2 ALA 16 2HB ALA 16 5.931 -1.189 -0.703 144 HB3 ALA 16 3HB ALA 16 4.472 -1.938 -1.354 145 H ILE 17 H ILE 17 7.343 -4.004 -1.109 146 HA ILE 17 HA ILE 17 5.337 -6.066 -1.673 147 HB ILE 17 HB ILE 17 7.314 -7.723 -1.689 148 HG12 ILE 17 2HG1 ILE 17 8.798 -5.418 -2.919 149 HG13 ILE 17 1HG1 ILE 17 8.911 -5.725 -1.188 150 HG21 ILE 17 1HG2 ILE 17 6.022 -6.195 -3.785 151 HG22 ILE 17 2HG2 ILE 17 6.395 -7.917 -3.710 152 HG23 ILE 17 3HG2 ILE 17 7.613 -6.776 -4.279 153 HD11 ILE 17 3HD1 ILE 17 10.015 -7.732 -1.489 154 HD12 ILE 17 1HD1 ILE 17 10.686 -6.718 -2.766 155 HD13 ILE 17 2HD1 ILE 17 9.446 -7.912 -3.149 156 H LYS 18 H LYS 18 4.938 -7.486 -0.047 157 HA LYS 18 HA LYS 18 6.620 -7.381 2.334 158 HB2 LYS 18 2HB LYS 18 3.634 -7.084 2.580 159 HB3 LYS 18 1HB LYS 18 4.861 -6.809 3.812 160 HG2 LYS 18 2HG LYS 18 4.660 -5.158 1.328 161 HG3 LYS 18 1HG LYS 18 3.792 -4.755 2.802 162 HD2 LYS 18 2HD LYS 18 5.753 -4.262 3.958 163 HD3 LYS 18 1HD LYS 18 6.752 -5.226 2.871 164 HE2 LYS 18 2HE LYS 18 6.516 -3.594 1.122 165 HE3 LYS 18 1HE LYS 18 5.364 -2.670 2.084 166 HZ1 LYS 18 3HZ LYS 18 7.726 -1.831 2.039 167 HZ2 LYS 18 1HZ LYS 18 8.138 -3.169 2.989 168 HZ3 LYS 18 2HZ LYS 18 7.039 -2.023 3.573 169 H GLU 19 H GLU 19 7.218 -9.460 2.407 170 HA GLU 19 HA GLU 19 5.382 -11.594 1.772 171 HB2 GLU 19 2HB GLU 19 8.024 -11.419 1.477 172 HB3 GLU 19 1HB GLU 19 8.002 -12.127 3.085 173 HG2 GLU 19 2HG GLU 19 6.528 -13.932 2.161 174 HG3 GLU 19 1HG GLU 19 6.844 -13.268 0.559 175 H ALA 20 H ALA 20 3.844 -12.067 3.205 176 HA ALA 20 HA ALA 20 4.650 -12.632 5.960 177 HB1 ALA 20 1HB ALA 20 3.775 -10.643 6.559 178 HB2 ALA 20 2HB ALA 20 2.248 -11.517 6.449 179 HB3 ALA 20 3HB ALA 20 2.790 -10.516 5.102 180 H VAL 21 H VAL 21 2.383 -13.386 7.104 181 HA VAL 21 HA VAL 21 1.574 -15.692 5.503 182 HB VAL 21 HB VAL 21 2.419 -16.098 7.784 183 HG11 VAL 21 1HG1 VAL 21 0.041 -14.423 8.581 184 HG12 VAL 21 2HG1 VAL 21 1.743 -14.154 8.959 185 HG13 VAL 21 3HG1 VAL 21 0.884 -15.504 9.695 186 HG21 VAL 21 3HG2 VAL 21 0.059 -17.200 8.544 187 HG22 VAL 21 1HG2 VAL 21 1.152 -17.900 7.351 188 HG23 VAL 21 2HG2 VAL 21 -0.227 -16.933 6.825 189 H ASP 22 H ASP 22 0.283 -12.801 6.963 190 HA ASP 22 HA ASP 22 -2.417 -13.554 6.105 191 HB2 ASP 22 2HB ASP 22 -1.666 -12.666 8.532 192 HB3 ASP 22 1HB ASP 22 -1.985 -11.120 7.752 193 H ALA 23 H ALA 23 -3.177 -10.663 6.252 194 HA ALA 23 HA ALA 23 -1.845 -9.661 3.835 195 HB1 ALA 23 1HB ALA 23 -4.751 -9.169 4.040 196 HB2 ALA 23 2HB ALA 23 -4.253 -10.813 3.640 197 HB3 ALA 23 3HB ALA 23 -3.746 -9.464 2.622 198 H GLY 24 H GLY 24 -3.945 -8.922 6.593 199 HA2 GLY 24 2HA GLY 24 -4.077 -6.176 6.404 200 HA3 GLY 24 1HA GLY 24 -4.071 -7.055 7.922 201 H ILE 25 H ILE 25 -1.359 -8.141 7.309 202 HA ILE 25 HA ILE 25 0.138 -6.121 8.622 203 HB ILE 25 HB ILE 25 0.952 -8.723 7.328 204 HG12 ILE 25 2HG1 ILE 25 -0.291 -9.007 9.375 205 HG13 ILE 25 1HG1 ILE 25 1.403 -9.346 9.711 206 HG21 ILE 25 1HG2 ILE 25 3.122 -8.282 8.691 207 HG22 ILE 25 2HG2 ILE 25 2.656 -6.587 8.544 208 HG23 ILE 25 3HG2 ILE 25 2.935 -7.553 7.096 209 HD11 ILE 25 3HD1 ILE 25 -0.222 -6.963 10.504 210 HD12 ILE 25 1HD1 ILE 25 1.540 -6.923 10.504 211 HD13 ILE 25 2HD1 ILE 25 0.684 -8.080 11.523 212 H ALA 26 H ALA 26 -0.001 -7.255 5.263 213 HA ALA 26 HA ALA 26 2.131 -5.635 4.366 214 HB1 ALA 26 1HB ALA 26 -0.127 -6.692 2.693 215 HB2 ALA 26 2HB ALA 26 1.308 -7.617 3.140 216 HB3 ALA 26 3HB ALA 26 1.466 -6.168 2.140 217 H GLU 27 H GLU 27 -1.412 -5.182 4.215 218 HA GLU 27 HA GLU 27 -1.415 -2.770 2.836 219 HB2 GLU 27 2HB GLU 27 -3.555 -2.232 3.902 220 HB3 GLU 27 1HB GLU 27 -3.526 -3.899 3.349 221 HG2 GLU 27 2HG GLU 27 -2.866 -4.497 5.717 222 HG3 GLU 27 1HG GLU 27 -3.309 -2.850 6.147 223 H LYS 28 H LYS 28 -0.663 -3.461 6.171 224 HA LYS 28 HA LYS 28 -0.691 -0.811 7.146 225 HB2 LYS 28 2HB LYS 28 0.854 -3.249 8.042 226 HB3 LYS 28 1HB LYS 28 0.874 -1.718 8.906 227 HG2 LYS 28 2HG LYS 28 -1.369 -1.895 9.508 228 HG3 LYS 28 1HG LYS 28 -1.687 -3.128 8.289 229 HD2 LYS 28 2HD LYS 28 0.146 -4.442 9.692 230 HD3 LYS 28 1HD LYS 28 -0.439 -3.378 10.973 231 HE2 LYS 28 2HE LYS 28 -2.766 -4.261 9.824 232 HE3 LYS 28 1HE LYS 28 -1.722 -5.677 9.703 233 HZ1 LYS 28 3HZ LYS 28 -1.246 -4.951 12.205 234 HZ2 LYS 28 1HZ LYS 28 -2.490 -6.017 11.779 235 HZ3 LYS 28 2HZ LYS 28 -2.833 -4.385 12.060 236 H TYR 29 H TYR 29 1.881 -2.830 5.769 237 HA TYR 29 HA TYR 29 3.868 -0.788 5.946 238 HB2 TYR 29 2HB TYR 29 3.709 -3.504 4.832 239 HB3 TYR 29 1HB TYR 29 4.786 -2.411 3.962 240 HD1 TYR 29 1HD TYR 29 5.746 -0.652 6.017 241 HD2 TYR 29 2HD TYR 29 5.256 -4.873 6.128 242 HE1 TYR 29 1HE TYR 29 7.474 -0.773 7.709 243 HE2 TYR 29 2HE TYR 29 7.016 -5.028 7.842 244 HH TYR 29 HH TYR 29 9.128 -3.398 8.470 245 H PHE 30 H PHE 30 1.599 -1.828 3.621 246 HA PHE 30 HA PHE 30 2.628 -0.479 1.384 247 HB2 PHE 30 2HB PHE 30 -0.114 -1.538 2.115 248 HB3 PHE 30 1HB PHE 30 0.242 -0.857 0.527 249 HD1 PHE 30 2HD PHE 30 3.220 -2.257 0.926 250 HD2 PHE 30 1HD PHE 30 -0.784 -3.529 0.859 251 HE1 PHE 30 2HE PHE 30 3.952 -4.412 0.039 252 HE2 PHE 30 1HE PHE 30 -0.092 -5.723 -0.018 253 HZ PHE 30 HZ PHE 30 2.296 -6.153 -0.425 254 H LYS 31 H LYS 31 0.345 0.267 3.942 255 HA LYS 31 HA LYS 31 -0.203 2.900 2.912 256 HB2 LYS 31 2HB LYS 31 -1.559 3.232 4.871 257 HB3 LYS 31 1HB LYS 31 -1.909 1.637 4.219 258 HG2 LYS 31 2HG LYS 31 -0.410 0.662 5.937 259 HG3 LYS 31 1HG LYS 31 -0.186 2.275 6.613 260 HD2 LYS 31 2HD LYS 31 -2.982 1.786 6.306 261 HD3 LYS 31 1HD LYS 31 -2.255 0.415 7.146 262 HE2 LYS 31 2HE LYS 31 -1.196 2.012 8.724 263 HE3 LYS 31 1HE LYS 31 -2.061 3.323 7.923 264 HZ1 LYS 31 3HZ LYS 31 -3.047 1.305 9.764 265 HZ2 LYS 31 1HZ LYS 31 -4.070 1.670 8.466 266 HZ3 LYS 31 2HZ LYS 31 -3.568 2.895 9.520 267 H LEU 32 H LEU 32 2.156 1.329 4.886 268 HA LEU 32 HA LEU 32 2.983 3.467 6.520 269 HB2 LEU 32 2HB LEU 32 4.048 0.913 5.737 270 HB3 LEU 32 1HB LEU 32 5.329 2.115 5.759 271 HG LEU 32 HG LEU 32 5.228 1.006 7.893 272 HD11 LEU 32 1HD1 LEU 32 5.015 2.936 9.337 273 HD12 LEU 32 2HD1 LEU 32 4.096 3.788 8.100 274 HD13 LEU 32 3HD1 LEU 32 5.786 3.395 7.818 275 HD21 LEU 32 3HD2 LEU 32 3.054 0.187 8.102 276 HD22 LEU 32 1HD2 LEU 32 2.333 1.768 7.807 277 HD23 LEU 32 2HD2 LEU 32 3.159 1.446 9.332 278 H ILE 33 H ILE 33 4.326 2.461 3.359 279 HA ILE 33 HA ILE 33 5.748 4.949 3.105 280 HB ILE 33 HB ILE 33 6.726 2.912 2.175 281 HG12 ILE 33 2HG1 ILE 33 7.571 3.859 0.213 282 HG13 ILE 33 1HG1 ILE 33 6.031 4.589 -0.217 283 HG21 ILE 33 1HG2 ILE 33 4.223 2.248 1.397 284 HG22 ILE 33 2HG2 ILE 33 5.690 1.489 0.779 285 HG23 ILE 33 3HG2 ILE 33 4.916 2.783 -0.134 286 HD11 ILE 33 3HD1 ILE 33 8.103 5.975 0.738 287 HD12 ILE 33 1HD1 ILE 33 7.306 5.571 2.258 288 HD13 ILE 33 2HD1 ILE 33 6.427 6.453 1.007 289 H ALA 34 H ALA 34 2.777 3.526 1.808 290 HA ALA 34 HA ALA 34 2.258 5.375 -0.214 291 HB1 ALA 34 1HB ALA 34 -0.093 4.741 0.036 292 HB2 ALA 34 2HB ALA 34 0.285 3.968 1.573 293 HB3 ALA 34 3HB ALA 34 0.960 3.326 0.078 294 H ASN 35 H ASN 35 1.779 5.546 3.263 295 HA ASN 35 HA ASN 35 0.332 8.030 3.175 296 HB2 ASN 35 2HB ASN 35 1.509 6.334 5.353 297 HB3 ASN 35 1HB ASN 35 1.033 7.991 5.706 298 HD21 ASN 35 1HD2 ASN 35 -1.114 8.540 5.743 299 HD22 ASN 35 2HD2 ASN 35 -2.384 7.370 5.702 300 H ALA 36 H ALA 36 3.651 6.987 3.560 301 HA ALA 36 HA ALA 36 4.690 9.552 4.272 302 HB1 ALA 36 1HB ALA 36 6.852 8.272 3.310 303 HB2 ALA 36 2HB ALA 36 5.801 6.893 3.629 304 HB3 ALA 36 3HB ALA 36 6.204 8.009 4.928 305 H LYS 37 H LYS 37 4.037 7.849 1.298 306 HA LYS 37 HA LYS 37 5.501 9.699 -0.355 307 HB2 LYS 37 2HB LYS 37 3.500 7.554 -1.103 308 HB3 LYS 37 1HB LYS 37 4.443 8.494 -2.249 309 HG2 LYS 37 2HG LYS 37 6.401 7.520 -0.654 310 HG3 LYS 37 1HG LYS 37 5.219 6.212 -0.591 311 HD2 LYS 37 2HD LYS 37 5.366 5.791 -2.857 312 HD3 LYS 37 1HD LYS 37 5.942 7.418 -3.225 313 HE2 LYS 37 2HE LYS 37 7.819 6.140 -1.496 314 HE3 LYS 37 1HE LYS 37 7.459 5.061 -2.844 315 HZ1 LYS 37 3HZ LYS 37 8.807 7.640 -2.835 316 HZ2 LYS 37 1HZ LYS 37 7.776 7.344 -4.144 317 HZ3 LYS 37 2HZ LYS 37 9.058 6.289 -3.824 318 H THR 38 H THR 38 2.071 8.865 0.047 319 HA THR 38 HA THR 38 1.340 11.658 -0.444 320 HB THR 38 HB THR 38 1.105 10.462 -2.591 321 HG1 THR 38 1HG THR 38 -1.088 11.013 -2.922 322 HG21 THR 38 3HG2 THR 38 -1.141 8.917 -2.351 323 HG22 THR 38 1HG2 THR 38 -0.198 8.464 -0.932 324 HG23 THR 38 2HG2 THR 38 0.509 8.323 -2.542 325 H VAL 39 H VAL 39 -1.490 11.127 -0.435 326 HA VAL 39 HA VAL 39 -2.183 9.572 1.851 327 HB VAL 39 HB VAL 39 -1.098 11.491 2.977 328 HG11 VAL 39 1HG1 VAL 39 -2.239 13.032 1.048 329 HG12 VAL 39 2HG1 VAL 39 -1.576 13.644 2.563 330 HG13 VAL 39 3HG1 VAL 39 -3.306 13.337 2.418 331 HG21 VAL 39 3HG2 VAL 39 -3.949 11.847 3.667 332 HG22 VAL 39 1HG2 VAL 39 -2.574 11.440 4.693 333 HG23 VAL 39 2HG2 VAL 39 -3.331 10.196 3.699 334 H GLU 40 H GLU 40 -3.059 10.011 -0.908 335 HA GLU 40 HA GLU 40 -5.887 10.181 -0.380 336 HB2 GLU 40 2HB GLU 40 -4.884 12.008 -2.536 337 HB3 GLU 40 1HB GLU 40 -6.443 12.013 -1.714 338 HG2 GLU 40 2HG GLU 40 -5.382 12.853 0.311 339 HG3 GLU 40 1HG GLU 40 -3.813 12.825 -0.490 340 H GLY 41 H GLY 41 -6.802 8.603 -1.496 341 HA2 GLY 41 2HA GLY 41 -6.782 8.129 -4.178 342 HA3 GLY 41 1HA GLY 41 -5.351 7.274 -3.612 343 H VAL 42 H VAL 42 -7.684 6.131 -4.848 344 HA VAL 42 HA VAL 42 -9.233 4.850 -2.786 345 HB VAL 42 HB VAL 42 -10.053 3.416 -4.732 346 HG11 VAL 42 1HG1 VAL 42 -11.104 5.647 -5.796 347 HG12 VAL 42 2HG1 VAL 42 -10.467 6.303 -4.288 348 HG13 VAL 42 3HG1 VAL 42 -11.620 4.970 -4.251 349 HG21 VAL 42 3HG2 VAL 42 -8.982 5.488 -6.567 350 HG22 VAL 42 1HG2 VAL 42 -9.396 3.803 -6.878 351 HG23 VAL 42 2HG2 VAL 42 -7.891 4.203 -6.052 352 H TRP 43 H TRP 43 -8.426 3.298 -1.568 353 HA TRP 43 HA TRP 43 -6.159 1.741 -2.401 354 HB2 TRP 43 2HB TRP 43 -7.623 2.385 0.065 355 HB3 TRP 43 1HB TRP 43 -6.904 0.791 0.026 356 HD1 TRP 43 HD TRP 43 -5.978 4.515 -0.055 357 HE1 TRP 43 1HE TRP 43 -3.507 4.779 0.587 358 HE3 TRP 43 3HE TRP 43 -4.592 -0.439 0.100 359 HZ2 TRP 43 2HZ TRP 43 -1.288 3.127 1.094 360 HZ3 TRP 43 3HZ TRP 43 -2.260 -0.951 0.672 361 HH2 TRP 43 HH TRP 43 -0.662 0.781 1.149 362 H THR 44 H THR 44 -6.193 -0.313 -3.113 363 HA THR 44 HA THR 44 -8.527 -1.995 -2.629 364 HB THR 44 HB THR 44 -8.392 -2.659 -5.134 365 HG1 THR 44 1HG THR 44 -6.718 -1.535 -5.904 366 HG21 THR 44 3HG2 THR 44 -10.374 -1.688 -5.125 367 HG22 THR 44 1HG2 THR 44 -9.580 -0.154 -5.483 368 HG23 THR 44 2HG2 THR 44 -9.892 -0.616 -3.809 369 H TYR 45 H TYR 45 -8.118 -4.222 -2.796 370 HA TYR 45 HA TYR 45 -5.361 -5.024 -3.384 371 HB2 TYR 45 2HB TYR 45 -5.184 -4.837 -1.053 372 HB3 TYR 45 1HB TYR 45 -6.806 -5.471 -0.777 373 HD1 TYR 45 2HD TYR 45 -3.411 -6.450 -1.948 374 HD2 TYR 45 1HD TYR 45 -7.117 -7.740 -0.307 375 HE1 TYR 45 2HE TYR 45 -2.459 -8.685 -1.571 376 HE2 TYR 45 1HE TYR 45 -6.175 -9.980 0.074 377 HH TYR 45 HH TYR 45 -4.395 -11.385 -0.705 378 H LYS 46 H LYS 46 -5.109 -7.068 -4.188 379 HA LYS 46 HA LYS 46 -7.600 -8.524 -4.778 380 HB2 LYS 46 2HB LYS 46 -4.985 -8.681 -6.288 381 HB3 LYS 46 1HB LYS 46 -6.531 -9.382 -6.764 382 HG2 LYS 46 2HG LYS 46 -5.990 -6.430 -6.504 383 HG3 LYS 46 1HG LYS 46 -5.951 -7.339 -8.017 384 HD2 LYS 46 2HD LYS 46 -8.210 -7.517 -8.125 385 HD3 LYS 46 1HD LYS 46 -8.392 -7.619 -6.373 386 HE2 LYS 46 2HE LYS 46 -8.383 -5.327 -6.106 387 HE3 LYS 46 1HE LYS 46 -7.511 -5.051 -7.613 388 HZ1 LYS 46 3HZ LYS 46 -10.012 -4.503 -7.481 389 HZ2 LYS 46 1HZ LYS 46 -10.234 -6.170 -7.674 390 HZ3 LYS 46 2HZ LYS 46 -9.418 -5.282 -8.860 391 H ASP 47 H ASP 47 -7.786 -10.631 -4.204 392 HA ASP 47 HA ASP 47 -5.706 -11.712 -2.477 393 HB2 ASP 47 2HB ASP 47 -8.035 -11.781 -1.703 394 HB3 ASP 47 1HB ASP 47 -8.478 -12.755 -3.105 395 H GLU 48 H GLU 48 -7.136 -12.275 -5.601 396 HA GLU 48 HA GLU 48 -6.372 -14.879 -6.111 397 HB2 GLU 48 2HB GLU 48 -7.472 -12.791 -7.575 398 HB3 GLU 48 1HB GLU 48 -5.985 -13.176 -8.433 399 HG2 GLU 48 2HG GLU 48 -8.114 -15.166 -7.699 400 HG3 GLU 48 1HG GLU 48 -7.957 -14.388 -9.273 401 H ILE 49 H ILE 49 -4.445 -11.942 -6.215 402 HA ILE 49 HA ILE 49 -2.061 -13.616 -6.642 403 HB ILE 49 HB ILE 49 -1.038 -11.610 -7.804 404 HG12 ILE 49 2HG1 ILE 49 -2.885 -10.053 -7.023 405 HG13 ILE 49 1HG1 ILE 49 -2.425 -9.922 -8.717 406 HG21 ILE 49 1HG2 ILE 49 -1.947 -12.223 -9.963 407 HG22 ILE 49 2HG2 ILE 49 -3.352 -12.956 -9.190 408 HG23 ILE 49 3HG2 ILE 49 -1.751 -13.662 -8.959 409 HD11 ILE 49 3HD1 ILE 49 -4.986 -10.359 -7.617 410 HD12 ILE 49 1HD1 ILE 49 -4.532 -11.816 -8.502 411 HD13 ILE 49 2HD1 ILE 49 -4.524 -10.252 -9.316 412 H LYS 50 H LYS 50 -3.610 -11.708 -4.476 413 HA LYS 50 HA LYS 50 -3.002 -10.536 -2.623 414 HB2 LYS 50 2HB LYS 50 -0.331 -11.911 -2.856 415 HB3 LYS 50 1HB LYS 50 -1.142 -11.363 -1.397 416 HG2 LYS 50 2HG LYS 50 -2.945 -13.132 -2.493 417 HG3 LYS 50 1HG LYS 50 -1.378 -13.870 -2.827 418 HD2 LYS 50 2HD LYS 50 -0.898 -14.181 -0.614 419 HD3 LYS 50 1HD LYS 50 -1.842 -12.784 -0.105 420 HE2 LYS 50 2HE LYS 50 -3.887 -14.156 -0.832 421 HE3 LYS 50 1HE LYS 50 -2.795 -15.533 -0.813 422 HZ1 LYS 50 3HZ LYS 50 -3.655 -15.565 1.302 423 HZ2 LYS 50 1HZ LYS 50 -3.725 -13.885 1.431 424 HZ3 LYS 50 2HZ LYS 50 -2.238 -14.673 1.548 425 H THR 51 H THR 51 -3.005 -8.660 -4.172 426 HA THR 51 HA THR 51 -0.453 -7.267 -3.923 427 HB THR 51 HB THR 51 -1.974 -7.464 -6.529 428 HG1 THR 51 1HG THR 51 -0.621 -8.972 -7.028 429 HG21 THR 51 3HG2 THR 51 -0.757 -5.267 -5.989 430 HG22 THR 51 1HG2 THR 51 -0.437 -6.059 -7.532 431 HG23 THR 51 2HG2 THR 51 0.717 -6.211 -6.207 432 H PHE 52 H PHE 52 -0.719 -5.280 -3.181 433 HA PHE 52 HA PHE 52 -3.418 -4.169 -3.085 434 HB2 PHE 52 2HB PHE 52 -1.053 -4.031 -1.415 435 HB3 PHE 52 1HB PHE 52 -1.725 -2.440 -1.702 436 HD1 PHE 52 2HD PHE 52 -3.950 -1.880 -0.922 437 HD2 PHE 52 1HD PHE 52 -2.218 -5.681 -0.116 438 HE1 PHE 52 2HE PHE 52 -5.652 -2.279 0.811 439 HE2 PHE 52 1HE PHE 52 -3.917 -6.089 1.620 440 HZ PHE 52 HZ PHE 52 -5.637 -4.388 2.085 441 H THR 53 H THR 53 -3.963 -2.212 -3.937 442 HA THR 53 HA THR 53 -1.946 -0.700 -5.413 443 HB THR 53 HB THR 53 -4.508 -1.326 -6.826 444 HG1 THR 53 1HG THR 53 -2.191 -2.949 -6.970 445 HG21 THR 53 3HG2 THR 53 -2.269 0.162 -7.491 446 HG22 THR 53 1HG2 THR 53 -3.548 -0.377 -8.577 447 HG23 THR 53 2HG2 THR 53 -2.087 -1.346 -8.387 448 H VAL 54 H VAL 54 -2.334 1.459 -5.600 449 HA VAL 54 HA VAL 54 -4.904 2.438 -4.543 450 HB VAL 54 HB VAL 54 -2.467 2.799 -3.258 451 HG11 VAL 54 1HG1 VAL 54 -1.774 4.449 -4.981 452 HG12 VAL 54 2HG1 VAL 54 -1.969 5.195 -3.395 453 HG13 VAL 54 3HG1 VAL 54 -3.214 5.402 -4.626 454 HG21 VAL 54 3HG2 VAL 54 -4.664 2.937 -2.231 455 HG22 VAL 54 1HG2 VAL 54 -5.006 4.435 -3.094 456 HG23 VAL 54 2HG2 VAL 54 -3.748 4.400 -1.859 457 H THR 55 H THR 55 -5.960 3.865 -5.780 458 HA THR 55 HA THR 55 -4.486 5.092 -8.017 459 HB THR 55 HB THR 55 -7.376 4.222 -8.089 460 HG1 THR 55 1HG THR 55 -6.355 2.334 -8.119 461 HG21 THR 55 3HG2 THR 55 -5.531 4.910 -10.358 462 HG22 THR 55 1HG2 THR 55 -6.738 6.003 -9.683 463 HG23 THR 55 2HG2 THR 55 -7.243 4.500 -10.457 464 H GLU 56 H GLU 56 -4.725 7.227 -8.324 465 HA GLU 56 HA GLU 56 -6.683 8.630 -6.622 466 HB2 GLU 56 2HB GLU 56 -4.172 8.906 -6.125 467 HB3 GLU 56 1HB GLU 56 -4.114 9.854 -7.605 468 HG2 GLU 56 2HG GLU 56 -6.171 11.062 -6.391 469 HG3 GLU 56 1HG GLU 56 -5.279 10.507 -4.976 Start of MODEL 17 1 H1 THR 1 1HT THR 1 2.573 -15.444 2.238 2 H2 THR 1 2HT THR 1 4.285 -15.564 2.243 3 H3 THR 1 3HT THR 1 3.328 -16.912 1.789 4 HA THR 1 HA THR 1 4.086 -16.093 -0.184 5 HB THR 1 HB THR 1 1.429 -14.721 0.233 6 HG1 THR 1 1HG THR 1 0.476 -16.632 0.207 7 HG21 THR 1 3HG2 THR 1 2.905 -15.689 -2.135 8 HG22 THR 1 1HG2 THR 1 1.845 -14.295 -1.950 9 HG23 THR 1 2HG2 THR 1 1.158 -15.916 -2.107 10 H THR 2 H THR 2 4.444 -14.296 -1.660 11 HA THR 2 HA THR 2 5.337 -11.925 -0.219 12 HB THR 2 HB THR 2 6.925 -13.061 -1.714 13 HG1 THR 2 1HG THR 2 7.076 -10.794 -1.429 14 HG21 THR 2 3HG2 THR 2 5.944 -12.103 -4.224 15 HG22 THR 2 1HG2 THR 2 4.782 -13.219 -3.501 16 HG23 THR 2 2HG2 THR 2 6.447 -13.734 -3.763 17 H TYR 3 H TYR 3 4.320 -10.034 -0.316 18 HA TYR 3 HA TYR 3 2.010 -9.780 -2.087 19 HB2 TYR 3 2HB TYR 3 2.900 -8.404 0.422 20 HB3 TYR 3 1HB TYR 3 1.779 -7.591 -0.666 21 HD1 TYR 3 1HD TYR 3 1.711 -11.237 -0.224 22 HD2 TYR 3 2HD TYR 3 0.014 -7.511 0.932 23 HE1 TYR 3 1HE TYR 3 -0.184 -12.428 0.799 24 HE2 TYR 3 2HE TYR 3 -1.889 -8.692 1.960 25 HH TYR 3 HH TYR 3 -3.024 -11.055 1.561 26 H LYS 4 H LYS 4 1.624 -7.748 -3.218 27 HA LYS 4 HA LYS 4 4.057 -6.237 -3.860 28 HB2 LYS 4 2HB LYS 4 3.364 -8.108 -5.559 29 HB3 LYS 4 1HB LYS 4 2.139 -6.942 -6.048 30 HG2 LYS 4 2HG LYS 4 3.639 -5.571 -7.029 31 HG3 LYS 4 1HG LYS 4 4.902 -5.927 -5.849 32 HD2 LYS 4 2HD LYS 4 4.770 -8.312 -7.032 33 HD3 LYS 4 1HD LYS 4 4.210 -7.316 -8.378 34 HE2 LYS 4 2HE LYS 4 6.286 -5.851 -7.776 35 HE3 LYS 4 1HE LYS 4 6.854 -7.320 -6.986 36 HZ1 LYS 4 3HZ LYS 4 6.602 -8.496 -9.086 37 HZ2 LYS 4 1HZ LYS 4 7.655 -7.183 -9.254 38 HZ3 LYS 4 2HZ LYS 4 6.073 -7.079 -9.841 39 H LEU 5 H LEU 5 3.772 -4.085 -4.147 40 HA LEU 5 HA LEU 5 1.007 -3.058 -4.012 41 HB2 LEU 5 2HB LEU 5 2.477 -2.652 -1.941 42 HB3 LEU 5 1HB LEU 5 3.457 -1.640 -3.005 43 HG LEU 5 HG LEU 5 1.730 -0.061 -3.311 44 HD11 LEU 5 1HD1 LEU 5 0.002 -2.258 -2.602 45 HD12 LEU 5 2HD1 LEU 5 -0.355 -0.780 -3.489 46 HD13 LEU 5 3HD1 LEU 5 -0.417 -0.788 -1.728 47 HD21 LEU 5 3HD2 LEU 5 2.712 0.537 -1.336 48 HD22 LEU 5 1HD2 LEU 5 2.209 -0.936 -0.510 49 HD23 LEU 5 2HD2 LEU 5 1.038 0.346 -0.815 50 H ILE 6 H ILE 6 0.452 -1.329 -5.228 51 HA ILE 6 HA ILE 6 2.509 -0.138 -6.911 52 HB ILE 6 HB ILE 6 -0.152 -1.135 -7.966 53 HG12 ILE 6 2HG1 ILE 6 1.470 -2.412 -9.528 54 HG13 ILE 6 1HG1 ILE 6 2.689 -2.067 -8.305 55 HG21 ILE 6 1HG2 ILE 6 0.857 -0.381 -10.183 56 HG22 ILE 6 2HG2 ILE 6 1.995 0.555 -9.213 57 HG23 ILE 6 3HG2 ILE 6 0.265 0.877 -9.099 58 HD11 ILE 6 3HD1 ILE 6 0.510 -3.093 -6.904 59 HD12 ILE 6 1HD1 ILE 6 2.038 -3.899 -7.258 60 HD13 ILE 6 2HD1 ILE 6 0.663 -4.096 -8.346 61 H LEU 7 H LEU 7 2.450 1.980 -6.493 62 HA LEU 7 HA LEU 7 -0.068 3.133 -5.551 63 HB2 LEU 7 2HB LEU 7 2.715 4.272 -5.351 64 HB3 LEU 7 1HB LEU 7 1.264 4.939 -4.620 65 HG LEU 7 HG LEU 7 1.161 2.566 -3.459 66 HD11 LEU 7 1HD1 LEU 7 3.055 1.357 -3.356 67 HD12 LEU 7 2HD1 LEU 7 4.092 2.782 -3.376 68 HD13 LEU 7 3HD1 LEU 7 3.415 2.164 -4.881 69 HD21 LEU 7 3HD2 LEU 7 2.869 4.920 -2.704 70 HD22 LEU 7 1HD2 LEU 7 2.608 3.553 -1.622 71 HD23 LEU 7 2HD2 LEU 7 1.239 4.527 -2.159 72 H ASN 8 H ASN 8 -1.087 4.750 -6.535 73 HA ASN 8 HA ASN 8 0.204 6.053 -8.829 74 HB2 ASN 8 2HB ASN 8 -2.087 4.250 -8.898 75 HB3 ASN 8 1HB ASN 8 -2.465 5.827 -9.593 76 HD21 ASN 8 1HD2 ASN 8 -2.498 5.378 -11.706 77 HD22 ASN 8 2HD2 ASN 8 -1.170 4.727 -12.599 78 H LEU 9 H LEU 9 0.411 7.659 -7.046 79 HA LEU 9 HA LEU 9 -2.054 9.027 -6.312 80 HB2 LEU 9 2HB LEU 9 0.827 9.705 -5.577 81 HB3 LEU 9 1HB LEU 9 -0.587 10.532 -4.945 82 HG LEU 9 HG LEU 9 0.306 8.948 -3.325 83 HD11 LEU 9 1HD1 LEU 9 -2.371 8.257 -4.504 84 HD12 LEU 9 2HD1 LEU 9 -2.020 9.325 -3.145 85 HD13 LEU 9 3HD1 LEU 9 -1.782 7.584 -2.985 86 HD21 LEU 9 3HD2 LEU 9 -0.455 6.688 -5.140 87 HD22 LEU 9 1HD2 LEU 9 0.541 6.658 -3.685 88 HD23 LEU 9 2HD2 LEU 9 1.166 7.381 -5.167 89 H LYS 10 H LYS 10 1.058 10.385 -7.402 90 HA LYS 10 HA LYS 10 -0.260 12.594 -8.659 91 HB2 LYS 10 2HB LYS 10 2.451 11.844 -7.958 92 HB3 LYS 10 1HB LYS 10 2.382 12.533 -9.579 93 HG2 LYS 10 2HG LYS 10 0.939 14.373 -8.388 94 HG3 LYS 10 1HG LYS 10 1.777 13.790 -6.953 95 HD2 LYS 10 2HD LYS 10 3.637 14.865 -7.517 96 HD3 LYS 10 1HD LYS 10 3.638 14.130 -9.124 97 HE2 LYS 10 2HE LYS 10 2.741 15.950 -10.087 98 HE3 LYS 10 1HE LYS 10 1.641 16.248 -8.748 99 HZ1 LYS 10 3HZ LYS 10 3.088 17.635 -7.756 100 HZ2 LYS 10 1HZ LYS 10 3.723 17.799 -9.314 101 HZ3 LYS 10 2HZ LYS 10 4.449 16.743 -8.207 102 H GLN 11 H GLN 11 2.219 10.593 -10.209 103 HA GLN 11 HA GLN 11 0.389 9.937 -12.382 104 HB2 GLN 11 2HB GLN 11 2.807 11.694 -12.634 105 HB3 GLN 11 1HB GLN 11 2.307 10.679 -13.988 106 HG2 GLN 11 2HG GLN 11 0.685 12.082 -14.547 107 HG3 GLN 11 1HG GLN 11 0.077 12.146 -12.896 108 HE21 GLN 11 1HE2 GLN 11 0.276 13.986 -11.826 109 HE22 GLN 11 2HE2 GLN 11 1.292 15.310 -12.280 110 H ALA 12 H ALA 12 3.816 9.809 -11.407 111 HA ALA 12 HA ALA 12 4.486 7.483 -12.794 112 HB1 ALA 12 1HB ALA 12 5.961 9.205 -11.504 113 HB2 ALA 12 2HB ALA 12 6.491 7.530 -11.661 114 HB3 ALA 12 3HB ALA 12 5.751 8.085 -10.159 115 H LYS 13 H LYS 13 5.338 5.480 -11.465 116 HA LYS 13 HA LYS 13 3.196 4.628 -9.629 117 HB2 LYS 13 2HB LYS 13 3.290 2.368 -10.650 118 HB3 LYS 13 1HB LYS 13 2.857 3.582 -11.853 119 HG2 LYS 13 2HG LYS 13 5.553 3.523 -12.117 120 HG3 LYS 13 1HG LYS 13 5.212 1.849 -11.666 121 HD2 LYS 13 2HD LYS 13 3.720 3.294 -13.850 122 HD3 LYS 13 1HD LYS 13 5.195 2.375 -14.147 123 HE2 LYS 13 2HE LYS 13 3.907 0.486 -12.857 124 HE3 LYS 13 1HE LYS 13 2.488 1.414 -13.339 125 HZ1 LYS 13 3HZ LYS 13 4.307 -0.167 -14.962 126 HZ2 LYS 13 1HZ LYS 13 3.797 1.292 -15.644 127 HZ3 LYS 13 2HZ LYS 13 2.655 0.141 -15.170 128 H GLU 14 H GLU 14 3.843 3.703 -7.794 129 HA GLU 14 HA GLU 14 6.719 3.166 -7.472 130 HB2 GLU 14 2HB GLU 14 5.151 4.864 -6.014 131 HB3 GLU 14 1HB GLU 14 5.075 3.397 -5.038 132 HG2 GLU 14 2HG GLU 14 7.764 4.120 -5.947 133 HG3 GLU 14 1HG GLU 14 7.010 5.287 -4.861 134 H GLU 15 H GLU 15 7.334 1.364 -6.091 135 HA GLU 15 HA GLU 15 5.312 -0.778 -6.106 136 HB2 GLU 15 2HB GLU 15 8.267 -0.915 -6.683 137 HB3 GLU 15 1HB GLU 15 7.290 -2.341 -6.360 138 HG2 GLU 15 2HG GLU 15 5.878 -1.811 -8.281 139 HG3 GLU 15 1HG GLU 15 6.864 -0.386 -8.607 140 H ALA 16 H ALA 16 5.591 -2.467 -4.511 141 HA ALA 16 HA ALA 16 7.319 -2.142 -2.275 142 HB1 ALA 16 1HB ALA 16 5.943 -1.215 -0.682 143 HB2 ALA 16 2HB ALA 16 4.494 -1.948 -1.372 144 HB3 ALA 16 3HB ALA 16 5.169 -0.485 -2.093 145 H ILE 17 H ILE 17 7.371 -4.012 -1.063 146 HA ILE 17 HA ILE 17 5.373 -6.073 -1.651 147 HB ILE 17 HB ILE 17 7.297 -7.753 -1.680 148 HG12 ILE 17 2HG1 ILE 17 9.285 -6.458 -2.965 149 HG13 ILE 17 1HG1 ILE 17 8.758 -5.172 -1.887 150 HG21 ILE 17 1HG2 ILE 17 7.694 -6.576 -4.222 151 HG22 ILE 17 2HG2 ILE 17 6.036 -6.229 -3.731 152 HG23 ILE 17 3HG2 ILE 17 6.610 -7.896 -3.784 153 HD11 ILE 17 3HD1 ILE 17 10.477 -6.255 -0.748 154 HD12 ILE 17 1HD1 ILE 17 9.885 -7.857 -1.186 155 HD13 ILE 17 2HD1 ILE 17 9.003 -6.880 -0.011 156 H LYS 18 H LYS 18 4.965 -7.508 -0.044 157 HA LYS 18 HA LYS 18 6.610 -7.412 2.360 158 HB2 LYS 18 2HB LYS 18 3.619 -7.110 2.552 159 HB3 LYS 18 1HB LYS 18 4.817 -6.872 3.819 160 HG2 LYS 18 2HG LYS 18 4.690 -5.169 1.367 161 HG3 LYS 18 1HG LYS 18 3.792 -4.789 2.830 162 HD2 LYS 18 2HD LYS 18 5.730 -4.338 4.041 163 HD3 LYS 18 1HD LYS 18 6.745 -5.290 2.955 164 HE2 LYS 18 2HE LYS 18 6.669 -3.622 1.277 165 HE3 LYS 18 1HE LYS 18 5.372 -2.754 2.099 166 HZ1 LYS 18 3HZ LYS 18 8.236 -2.876 2.772 167 HZ2 LYS 18 1HZ LYS 18 7.103 -2.548 3.985 168 HZ3 LYS 18 2HZ LYS 18 7.225 -1.526 2.643 169 H GLU 19 H GLU 19 7.207 -9.486 2.454 170 HA GLU 19 HA GLU 19 5.414 -11.620 1.735 171 HB2 GLU 19 2HB GLU 19 8.144 -11.337 1.741 172 HB3 GLU 19 1HB GLU 19 7.878 -12.339 3.161 173 HG2 GLU 19 2HG GLU 19 6.332 -13.267 0.899 174 HG3 GLU 19 1HG GLU 19 8.050 -13.181 0.529 175 H ALA 20 H ALA 20 3.819 -12.123 3.092 176 HA ALA 20 HA ALA 20 4.499 -12.775 5.853 177 HB1 ALA 20 1HB ALA 20 1.985 -11.259 5.568 178 HB2 ALA 20 2HB ALA 20 3.479 -10.334 5.414 179 HB3 ALA 20 3HB ALA 20 3.167 -11.267 6.877 180 H VAL 21 H VAL 21 2.347 -13.616 6.952 181 HA VAL 21 HA VAL 21 1.373 -15.722 5.186 182 HB VAL 21 HB VAL 21 2.240 -16.328 7.415 183 HG11 VAL 21 1HG1 VAL 21 1.650 -14.458 8.742 184 HG12 VAL 21 2HG1 VAL 21 0.773 -15.843 9.392 185 HG13 VAL 21 3HG1 VAL 21 -0.065 -14.661 8.383 186 HG21 VAL 21 3HG2 VAL 21 0.899 -18.045 6.839 187 HG22 VAL 21 1HG2 VAL 21 -0.460 -16.990 6.454 188 HG23 VAL 21 2HG2 VAL 21 -0.129 -17.418 8.132 189 H ASP 22 H ASP 22 0.244 -12.891 6.867 190 HA ASP 22 HA ASP 22 -2.519 -13.483 6.113 191 HB2 ASP 22 2HB ASP 22 -1.572 -12.614 8.483 192 HB3 ASP 22 1HB ASP 22 -1.877 -11.063 7.707 193 H ALA 23 H ALA 23 -3.133 -10.572 6.272 194 HA ALA 23 HA ALA 23 -1.843 -9.585 3.834 195 HB1 ALA 23 1HB ALA 23 -4.744 -9.093 3.991 196 HB2 ALA 23 2HB ALA 23 -4.261 -10.755 3.652 197 HB3 ALA 23 3HB ALA 23 -3.724 -9.447 2.597 198 H GLY 24 H GLY 24 -3.990 -8.873 6.564 199 HA2 GLY 24 2HA GLY 24 -4.147 -6.131 6.394 200 HA3 GLY 24 1HA GLY 24 -4.131 -7.014 7.909 201 H ILE 25 H ILE 25 -1.427 -8.078 7.349 202 HA ILE 25 HA ILE 25 0.061 -6.044 8.644 203 HB ILE 25 HB ILE 25 0.867 -8.663 7.386 204 HG12 ILE 25 2HG1 ILE 25 -0.372 -8.879 9.453 205 HG13 ILE 25 1HG1 ILE 25 1.318 -9.263 9.764 206 HG21 ILE 25 1HG2 ILE 25 2.908 -7.708 7.158 207 HG22 ILE 25 2HG2 ILE 25 3.015 -8.078 8.878 208 HG23 ILE 25 3HG2 ILE 25 2.576 -6.453 8.352 209 HD11 ILE 25 3HD1 ILE 25 1.068 -7.897 11.511 210 HD12 ILE 25 1HD1 ILE 25 -0.352 -7.111 10.822 211 HD13 ILE 25 2HD1 ILE 25 1.262 -6.609 10.322 212 H ALA 26 H ALA 26 -0.076 -7.195 5.293 213 HA ALA 26 HA ALA 26 2.074 -5.610 4.385 214 HB1 ALA 26 1HB ALA 26 -0.198 -6.567 2.678 215 HB2 ALA 26 2HB ALA 26 1.141 -7.597 3.187 216 HB3 ALA 26 3HB ALA 26 1.452 -6.176 2.185 217 H GLU 27 H GLU 27 -1.461 -5.091 4.240 218 HA GLU 27 HA GLU 27 -1.430 -2.684 2.866 219 HB2 GLU 27 2HB GLU 27 -3.539 -2.096 4.045 220 HB3 GLU 27 1HB GLU 27 -3.560 -3.708 3.344 221 HG2 GLU 27 2HG GLU 27 -2.896 -4.550 5.618 222 HG3 GLU 27 1HG GLU 27 -3.251 -2.934 6.222 223 H LYS 28 H LYS 28 -0.702 -3.375 6.214 224 HA LYS 28 HA LYS 28 -0.666 -0.729 7.183 225 HB2 LYS 28 2HB LYS 28 0.838 -3.196 8.064 226 HB3 LYS 28 1HB LYS 28 0.914 -1.664 8.923 227 HG2 LYS 28 2HG LYS 28 -1.402 -1.756 9.446 228 HG3 LYS 28 1HG LYS 28 -1.641 -3.141 8.382 229 HD2 LYS 28 2HD LYS 28 0.212 -4.199 9.953 230 HD3 LYS 28 1HD LYS 28 -0.423 -3.008 11.090 231 HE2 LYS 28 2HE LYS 28 -2.736 -3.955 10.391 232 HE3 LYS 28 1HE LYS 28 -1.804 -5.337 9.814 233 HZ1 LYS 28 3HZ LYS 28 -0.827 -5.475 12.079 234 HZ2 LYS 28 1HZ LYS 28 -2.491 -5.779 12.032 235 HZ3 LYS 28 2HZ LYS 28 -1.918 -4.287 12.587 236 H TYR 29 H TYR 29 1.871 -2.787 5.792 237 HA TYR 29 HA TYR 29 3.884 -0.767 5.953 238 HB2 TYR 29 2HB TYR 29 3.695 -3.494 4.882 239 HB3 TYR 29 1HB TYR 29 4.765 -2.425 3.975 240 HD1 TYR 29 1HD TYR 29 5.769 -0.631 5.979 241 HD2 TYR 29 2HD TYR 29 5.252 -4.845 6.183 242 HE1 TYR 29 1HE TYR 29 7.521 -0.730 7.648 243 HE2 TYR 29 2HE TYR 29 7.035 -4.977 7.875 244 HH TYR 29 HH TYR 29 9.228 -3.135 8.390 245 H PHE 30 H PHE 30 1.613 -1.816 3.636 246 HA PHE 30 HA PHE 30 2.650 -0.499 1.387 247 HB2 PHE 30 2HB PHE 30 -0.093 -1.537 2.139 248 HB3 PHE 30 1HB PHE 30 0.253 -0.869 0.544 249 HD1 PHE 30 2HD PHE 30 3.234 -2.273 0.960 250 HD2 PHE 30 1HD PHE 30 -0.772 -3.536 0.879 251 HE1 PHE 30 2HE PHE 30 3.965 -4.433 0.091 252 HE2 PHE 30 1HE PHE 30 -0.082 -5.735 0.024 253 HZ PHE 30 HZ PHE 30 2.309 -6.173 -0.368 254 H LYS 31 H LYS 31 0.354 0.292 3.920 255 HA LYS 31 HA LYS 31 -0.172 2.921 2.870 256 HB2 LYS 31 2HB LYS 31 -1.529 3.277 4.815 257 HB3 LYS 31 1HB LYS 31 -1.869 1.660 4.213 258 HG2 LYS 31 2HG LYS 31 -0.374 0.740 5.956 259 HG3 LYS 31 1HG LYS 31 -0.125 2.375 6.571 260 HD2 LYS 31 2HD LYS 31 -2.927 1.467 6.247 261 HD3 LYS 31 1HD LYS 31 -1.989 0.726 7.546 262 HE2 LYS 31 2HE LYS 31 -2.860 2.537 8.645 263 HE3 LYS 31 1HE LYS 31 -1.341 3.217 8.063 264 HZ1 LYS 31 3HZ LYS 31 -3.655 3.453 6.304 265 HZ2 LYS 31 1HZ LYS 31 -2.395 4.545 6.588 266 HZ3 LYS 31 2HZ LYS 31 -3.661 4.409 7.700 267 H LEU 32 H LEU 32 2.188 1.359 4.847 268 HA LEU 32 HA LEU 32 3.038 3.517 6.451 269 HB2 LEU 32 2HB LEU 32 4.063 0.937 5.729 270 HB3 LEU 32 1HB LEU 32 5.364 2.116 5.684 271 HG LEU 32 HG LEU 32 5.388 1.186 7.850 272 HD11 LEU 32 1HD1 LEU 32 5.280 3.087 9.165 273 HD12 LEU 32 2HD1 LEU 32 3.848 3.699 8.338 274 HD13 LEU 32 3HD1 LEU 32 5.412 3.753 7.533 275 HD21 LEU 32 3HD2 LEU 32 3.388 1.233 9.328 276 HD22 LEU 32 1HD2 LEU 32 3.239 0.142 7.951 277 HD23 LEU 32 2HD2 LEU 32 2.425 1.706 7.928 278 H ILE 33 H ILE 33 4.328 2.452 3.292 279 HA ILE 33 HA ILE 33 5.786 4.918 2.988 280 HB ILE 33 HB ILE 33 6.744 2.841 2.119 281 HG12 ILE 33 2HG1 ILE 33 7.594 3.721 0.113 282 HG13 ILE 33 1HG1 ILE 33 6.076 4.511 -0.292 283 HG21 ILE 33 1HG2 ILE 33 5.702 1.405 0.736 284 HG22 ILE 33 2HG2 ILE 33 4.942 2.692 -0.198 285 HG23 ILE 33 3HG2 ILE 33 4.242 2.187 1.338 286 HD11 ILE 33 3HD1 ILE 33 7.440 5.431 2.160 287 HD12 ILE 33 1HD1 ILE 33 6.551 6.348 0.943 288 HD13 ILE 33 2HD1 ILE 33 8.204 5.824 0.620 289 H ALA 34 H ALA 34 2.808 3.488 1.723 290 HA ALA 34 HA ALA 34 2.345 5.353 -0.327 291 HB1 ALA 34 1HB ALA 34 0.498 3.629 1.293 292 HB2 ALA 34 2HB ALA 34 1.055 3.378 -0.358 293 HB3 ALA 34 3HB ALA 34 -0.082 4.678 0.002 294 H ASN 35 H ASN 35 1.774 5.439 3.128 295 HA ASN 35 HA ASN 35 0.203 7.853 3.029 296 HB2 ASN 35 2HB ASN 35 -0.100 6.204 4.846 297 HB3 ASN 35 1HB ASN 35 1.550 6.506 5.385 298 HD21 ASN 35 1HD2 ASN 35 -1.601 7.245 5.916 299 HD22 ASN 35 2HD2 ASN 35 -1.412 8.748 6.746 300 H ALA 36 H ALA 36 3.549 6.953 3.439 301 HA ALA 36 HA ALA 36 4.426 9.550 4.293 302 HB1 ALA 36 1HB ALA 36 6.652 8.664 4.116 303 HB2 ALA 36 2HB ALA 36 6.079 7.288 3.178 304 HB3 ALA 36 3HB ALA 36 5.621 7.453 4.873 305 H LYS 37 H LYS 37 4.265 7.776 1.252 306 HA LYS 37 HA LYS 37 5.740 9.618 -0.303 307 HB2 LYS 37 2HB LYS 37 3.614 7.626 -1.118 308 HB3 LYS 37 1HB LYS 37 4.565 8.566 -2.256 309 HG2 LYS 37 2HG LYS 37 6.504 7.450 -0.697 310 HG3 LYS 37 1HG LYS 37 5.278 6.184 -0.734 311 HD2 LYS 37 2HD LYS 37 5.999 5.598 -2.754 312 HD3 LYS 37 1HD LYS 37 5.479 7.171 -3.362 313 HE2 LYS 37 2HE LYS 37 8.046 7.192 -1.940 314 HE3 LYS 37 1HE LYS 37 8.038 6.241 -3.425 315 HZ1 LYS 37 3HZ LYS 37 6.826 8.889 -3.553 316 HZ2 LYS 37 1HZ LYS 37 7.758 8.068 -4.702 317 HZ3 LYS 37 2HZ LYS 37 8.510 8.835 -3.395 318 H THR 38 H THR 38 2.225 9.111 -0.036 319 HA THR 38 HA THR 38 1.696 11.930 -0.136 320 HB THR 38 HB THR 38 0.202 10.660 -2.307 321 HG1 THR 38 1HG THR 38 1.917 10.539 -3.734 322 HG21 THR 38 3HG2 THR 38 1.104 12.671 -3.548 323 HG22 THR 38 1HG2 THR 38 1.795 13.180 -2.007 324 HG23 THR 38 2HG2 THR 38 0.050 12.990 -2.170 325 H VAL 39 H VAL 39 -0.999 11.796 -0.943 326 HA VAL 39 HA VAL 39 -2.219 9.779 0.784 327 HB VAL 39 HB VAL 39 -3.268 12.557 1.084 328 HG11 VAL 39 1HG1 VAL 39 -3.380 9.984 2.495 329 HG12 VAL 39 2HG1 VAL 39 -4.580 11.271 2.379 330 HG13 VAL 39 3HG1 VAL 39 -3.258 11.400 3.538 331 HG21 VAL 39 3HG2 VAL 39 -1.704 12.839 3.065 332 HG22 VAL 39 1HG2 VAL 39 -0.996 13.062 1.465 333 HG23 VAL 39 2HG2 VAL 39 -0.727 11.558 2.347 334 H GLU 40 H GLU 40 -4.820 10.287 0.676 335 HA GLU 40 HA GLU 40 -6.683 10.248 -0.616 336 HB2 GLU 40 2HB GLU 40 -5.298 11.879 -2.717 337 HB3 GLU 40 1HB GLU 40 -6.985 11.925 -2.207 338 HG2 GLU 40 2HG GLU 40 -6.107 12.829 0.010 339 HG3 GLU 40 1HG GLU 40 -4.583 13.086 -0.837 340 H GLY 41 H GLY 41 -7.381 8.570 -1.757 341 HA2 GLY 41 2HA GLY 41 -6.856 7.805 -4.296 342 HA3 GLY 41 1HA GLY 41 -5.506 7.096 -3.414 343 H VAL 42 H VAL 42 -7.742 5.843 -4.897 344 HA VAL 42 HA VAL 42 -9.406 4.594 -2.907 345 HB VAL 42 HB VAL 42 -10.042 3.069 -4.865 346 HG11 VAL 42 1HG1 VAL 42 -11.360 5.008 -4.064 347 HG12 VAL 42 2HG1 VAL 42 -11.531 4.716 -5.795 348 HG13 VAL 42 3HG1 VAL 42 -10.501 6.027 -5.220 349 HG21 VAL 42 3HG2 VAL 42 -7.931 3.625 -6.146 350 HG22 VAL 42 1HG2 VAL 42 -8.671 5.182 -6.512 351 HG23 VAL 42 2HG2 VAL 42 -9.434 3.692 -7.064 352 H TRP 43 H TRP 43 -8.403 3.298 -1.506 353 HA TRP 43 HA TRP 43 -6.149 1.690 -2.210 354 HB2 TRP 43 2HB TRP 43 -7.637 2.500 0.182 355 HB3 TRP 43 1HB TRP 43 -6.954 0.892 0.271 356 HD1 TRP 43 HD TRP 43 -5.972 4.581 0.139 357 HE1 TRP 43 1HE TRP 43 -3.487 4.815 0.739 358 HE3 TRP 43 3HE TRP 43 -4.625 -0.386 0.189 359 HZ2 TRP 43 2HZ TRP 43 -1.269 3.140 1.176 360 HZ3 TRP 43 3HZ TRP 43 -2.287 -0.928 0.709 361 HH2 TRP 43 HH TRP 43 -0.662 0.785 1.181 362 H THR 44 H THR 44 -6.262 -0.260 -3.113 363 HA THR 44 HA THR 44 -8.459 -2.054 -2.386 364 HB THR 44 HB THR 44 -8.237 -2.692 -4.998 365 HG1 THR 44 1HG THR 44 -6.813 -0.840 -5.275 366 HG21 THR 44 3HG2 THR 44 -10.244 -1.362 -5.442 367 HG22 THR 44 1HG2 THR 44 -10.019 -0.532 -3.902 368 HG23 THR 44 2HG2 THR 44 -10.357 -2.263 -3.930 369 H TYR 45 H TYR 45 -8.023 -4.305 -2.842 370 HA TYR 45 HA TYR 45 -5.219 -4.950 -3.395 371 HB2 TYR 45 2HB TYR 45 -5.117 -4.964 -1.055 372 HB3 TYR 45 1HB TYR 45 -6.730 -5.656 -0.886 373 HD1 TYR 45 1HD TYR 45 -3.284 -6.469 -2.047 374 HD2 TYR 45 2HD TYR 45 -6.989 -7.952 -0.572 375 HE1 TYR 45 1HE TYR 45 -2.286 -8.704 -1.804 376 HE2 TYR 45 2HE TYR 45 -6.002 -10.190 -0.326 377 HH TYR 45 HH TYR 45 -2.630 -10.752 -0.590 378 H LYS 46 H LYS 46 -4.872 -6.901 -4.382 379 HA LYS 46 HA LYS 46 -7.296 -8.338 -5.226 380 HB2 LYS 46 2HB LYS 46 -4.593 -8.395 -6.571 381 HB3 LYS 46 1HB LYS 46 -6.126 -8.984 -7.214 382 HG2 LYS 46 2HG LYS 46 -6.862 -6.892 -7.751 383 HG3 LYS 46 1HG LYS 46 -5.911 -6.109 -6.488 384 HD2 LYS 46 2HD LYS 46 -4.589 -5.490 -8.203 385 HD3 LYS 46 1HD LYS 46 -3.946 -7.128 -8.053 386 HE2 LYS 46 2HE LYS 46 -4.820 -7.767 -10.014 387 HE3 LYS 46 1HE LYS 46 -6.358 -6.971 -9.688 388 HZ1 LYS 46 3HZ LYS 46 -5.380 -5.922 -11.560 389 HZ2 LYS 46 1HZ LYS 46 -3.891 -5.736 -10.776 390 HZ3 LYS 46 2HZ LYS 46 -5.233 -4.841 -10.267 391 H ASP 47 H ASP 47 -7.506 -10.481 -4.859 392 HA ASP 47 HA ASP 47 -5.512 -11.725 -3.131 393 HB2 ASP 47 2HB ASP 47 -7.882 -11.814 -2.460 394 HB3 ASP 47 1HB ASP 47 -8.265 -12.691 -3.942 395 H GLU 48 H GLU 48 -6.809 -11.970 -6.347 396 HA GLU 48 HA GLU 48 -6.122 -14.528 -7.083 397 HB2 GLU 48 2HB GLU 48 -7.334 -12.811 -8.471 398 HB3 GLU 48 1HB GLU 48 -5.765 -12.114 -8.851 399 HG2 GLU 48 2HG GLU 48 -5.250 -13.733 -10.308 400 HG3 GLU 48 1HG GLU 48 -6.000 -14.995 -9.333 401 H ILE 49 H ILE 49 -4.044 -11.749 -6.642 402 HA ILE 49 HA ILE 49 -1.724 -13.497 -6.944 403 HB ILE 49 HB ILE 49 -0.485 -11.804 -8.211 404 HG12 ILE 49 2HG1 ILE 49 -1.853 -9.859 -7.428 405 HG13 ILE 49 1HG1 ILE 49 -1.559 -9.876 -9.164 406 HG21 ILE 49 1HG2 ILE 49 -1.391 -13.518 -9.529 407 HG22 ILE 49 2HG2 ILE 49 -1.815 -12.031 -10.366 408 HG23 ILE 49 3HG2 ILE 49 -3.025 -12.875 -9.400 409 HD11 ILE 49 3HD1 ILE 49 -3.946 -11.227 -8.905 410 HD12 ILE 49 1HD1 ILE 49 -3.740 -9.543 -9.387 411 HD13 ILE 49 2HD1 ILE 49 -4.054 -9.945 -7.699 412 H LYS 50 H LYS 50 -3.290 -11.828 -4.816 413 HA LYS 50 HA LYS 50 -2.827 -10.544 -2.984 414 HB2 LYS 50 2HB LYS 50 -0.172 -11.969 -3.216 415 HB3 LYS 50 1HB LYS 50 -0.808 -11.203 -1.767 416 HG2 LYS 50 2HG LYS 50 -1.525 -13.255 -1.256 417 HG3 LYS 50 1HG LYS 50 -2.829 -12.904 -2.392 418 HD2 LYS 50 2HD LYS 50 -1.204 -13.829 -4.177 419 HD3 LYS 50 1HD LYS 50 -0.350 -14.536 -2.804 420 HE2 LYS 50 2HE LYS 50 -2.233 -15.826 -2.179 421 HE3 LYS 50 1HE LYS 50 -3.297 -14.928 -3.259 422 HZ1 LYS 50 3HZ LYS 50 -1.673 -15.829 -5.058 423 HZ2 LYS 50 1HZ LYS 50 -2.921 -16.812 -4.470 424 HZ3 LYS 50 2HZ LYS 50 -1.345 -17.021 -3.897 425 H THR 51 H THR 51 -2.877 -8.583 -4.313 426 HA THR 51 HA THR 51 -0.357 -7.150 -4.069 427 HB THR 51 HB THR 51 -1.870 -7.400 -6.673 428 HG1 THR 51 1HG THR 51 -0.405 -9.073 -6.297 429 HG21 THR 51 3HG2 THR 51 -1.031 -5.074 -6.244 430 HG22 THR 51 1HG2 THR 51 -0.384 -5.866 -7.680 431 HG23 THR 51 2HG2 THR 51 0.597 -5.749 -6.221 432 H PHE 52 H PHE 52 -0.677 -5.220 -3.218 433 HA PHE 52 HA PHE 52 -3.392 -4.155 -3.086 434 HB2 PHE 52 2HB PHE 52 -1.013 -4.019 -1.427 435 HB3 PHE 52 1HB PHE 52 -1.733 -2.439 -1.652 436 HD1 PHE 52 2HD PHE 52 -3.965 -1.967 -0.814 437 HD2 PHE 52 1HD PHE 52 -2.119 -5.749 -0.193 438 HE1 PHE 52 2HE PHE 52 -5.632 -2.490 0.920 439 HE2 PHE 52 1HE PHE 52 -3.782 -6.282 1.543 440 HZ PHE 52 HZ PHE 52 -5.541 -4.650 2.101 441 H THR 53 H THR 53 -3.965 -2.171 -3.885 442 HA THR 53 HA THR 53 -1.959 -0.603 -5.319 443 HB THR 53 HB THR 53 -4.508 -1.495 -6.664 444 HG1 THR 53 1HG THR 53 -1.873 -2.409 -7.155 445 HG21 THR 53 3HG2 THR 53 -3.993 -0.190 -8.380 446 HG22 THR 53 1HG2 THR 53 -2.301 -0.686 -8.350 447 HG23 THR 53 2HG2 THR 53 -2.856 0.615 -7.297 448 H VAL 54 H VAL 54 -2.370 1.551 -5.491 449 HA VAL 54 HA VAL 54 -4.939 2.499 -4.403 450 HB VAL 54 HB VAL 54 -2.498 2.864 -3.130 451 HG11 VAL 54 1HG1 VAL 54 -1.812 4.524 -4.837 452 HG12 VAL 54 2HG1 VAL 54 -2.016 5.267 -3.250 453 HG13 VAL 54 3HG1 VAL 54 -3.257 5.469 -4.486 454 HG21 VAL 54 3HG2 VAL 54 -3.768 4.427 -1.698 455 HG22 VAL 54 1HG2 VAL 54 -4.710 2.990 -2.107 456 HG23 VAL 54 2HG2 VAL 54 -5.025 4.516 -2.932 457 H THR 55 H THR 55 -6.035 3.843 -5.684 458 HA THR 55 HA THR 55 -4.595 5.046 -7.956 459 HB THR 55 HB THR 55 -7.508 4.866 -8.212 460 HG1 THR 55 1HG THR 55 -6.020 2.457 -8.212 461 HG21 THR 55 3HG2 THR 55 -5.124 4.364 -9.891 462 HG22 THR 55 1HG2 THR 55 -6.584 5.290 -10.236 463 HG23 THR 55 2HG2 THR 55 -6.620 3.527 -10.306 464 H GLU 56 H GLU 56 -4.684 7.194 -8.251 465 HA GLU 56 HA GLU 56 -5.751 8.839 -6.175 466 HB2 GLU 56 2HB GLU 56 -4.998 10.718 -7.705 467 HB3 GLU 56 1HB GLU 56 -3.747 9.600 -7.181 468 HG2 GLU 56 2HG GLU 56 -3.225 9.138 -9.276 469 HG3 GLU 56 1HG GLU 56 -4.884 8.649 -9.617 Start of MODEL 18 1 H1 THR 1 1HT THR 1 3.274 -15.278 2.257 2 H2 THR 1 2HT THR 1 2.663 -16.743 1.605 3 H3 THR 1 3HT THR 1 1.824 -15.273 1.344 4 HA THR 1 HA THR 1 4.393 -16.150 0.235 5 HB THR 1 HB THR 1 2.826 -15.095 -1.756 6 HG1 THR 1 1HG THR 1 1.075 -16.505 -0.033 7 HG21 THR 1 3HG2 THR 1 3.683 -17.693 -0.962 8 HG22 THR 1 1HG2 THR 1 3.284 -17.095 -2.572 9 HG23 THR 1 2HG2 THR 1 2.021 -17.780 -1.547 10 H THR 2 H THR 2 4.675 -14.352 -1.730 11 HA THR 2 HA THR 2 5.435 -11.955 -0.272 12 HB THR 2 HB THR 2 7.034 -13.025 -1.811 13 HG1 THR 2 1HG THR 2 6.950 -10.674 -1.458 14 HG21 THR 2 3HG2 THR 2 5.985 -12.016 -4.281 15 HG22 THR 2 1HG2 THR 2 4.885 -13.206 -3.575 16 HG23 THR 2 2HG2 THR 2 6.566 -13.638 -3.881 17 H TYR 3 H TYR 3 4.366 -10.100 -0.306 18 HA TYR 3 HA TYR 3 2.007 -9.863 -2.002 19 HB2 TYR 3 2HB TYR 3 2.993 -8.470 0.458 20 HB3 TYR 3 1HB TYR 3 1.816 -7.667 -0.579 21 HD1 TYR 3 1HD TYR 3 1.914 -11.312 0.005 22 HD2 TYR 3 2HD TYR 3 0.029 -7.618 0.949 23 HE1 TYR 3 1HE TYR 3 0.078 -12.530 1.096 24 HE2 TYR 3 2HE TYR 3 -1.816 -8.832 2.037 25 HH TYR 3 HH TYR 3 -1.764 -11.647 3.147 26 H LYS 4 H LYS 4 1.580 -7.968 -3.258 27 HA LYS 4 HA LYS 4 3.977 -6.427 -3.993 28 HB2 LYS 4 2HB LYS 4 2.211 -8.068 -5.708 29 HB3 LYS 4 1HB LYS 4 2.655 -6.489 -6.351 30 HG2 LYS 4 2HG LYS 4 5.052 -7.480 -5.439 31 HG3 LYS 4 1HG LYS 4 4.241 -8.912 -6.077 32 HD2 LYS 4 2HD LYS 4 3.987 -7.916 -8.220 33 HD3 LYS 4 1HD LYS 4 4.467 -6.330 -7.612 34 HE2 LYS 4 2HE LYS 4 6.227 -7.546 -8.924 35 HE3 LYS 4 1HE LYS 4 6.716 -7.036 -7.309 36 HZ1 LYS 4 3HZ LYS 4 5.599 -9.717 -7.611 37 HZ2 LYS 4 1HZ LYS 4 6.803 -9.162 -6.561 38 HZ3 LYS 4 2HZ LYS 4 7.166 -9.448 -8.185 39 H LEU 5 H LEU 5 3.713 -4.290 -4.190 40 HA LEU 5 HA LEU 5 0.968 -3.208 -4.070 41 HB2 LEU 5 2HB LEU 5 2.389 -2.824 -1.974 42 HB3 LEU 5 1HB LEU 5 3.451 -1.872 -3.017 43 HG LEU 5 HG LEU 5 1.776 -0.237 -3.427 44 HD11 LEU 5 1HD1 LEU 5 -0.031 -2.332 -2.708 45 HD12 LEU 5 2HD1 LEU 5 -0.356 -0.800 -3.515 46 HD13 LEU 5 3HD1 LEU 5 -0.369 -0.890 -1.753 47 HD21 LEU 5 3HD2 LEU 5 2.053 -1.004 -0.542 48 HD22 LEU 5 1HD2 LEU 5 1.193 0.451 -1.048 49 HD23 LEU 5 2HD2 LEU 5 2.902 0.254 -1.437 50 H ILE 6 H ILE 6 0.472 -1.457 -5.305 51 HA ILE 6 HA ILE 6 2.595 -0.280 -6.897 52 HB ILE 6 HB ILE 6 0.044 -1.335 -8.145 53 HG12 ILE 6 2HG1 ILE 6 1.808 -2.668 -9.505 54 HG13 ILE 6 1HG1 ILE 6 2.892 -2.304 -8.166 55 HG21 ILE 6 1HG2 ILE 6 1.628 -0.685 -10.224 56 HG22 ILE 6 2HG2 ILE 6 2.119 0.547 -9.061 57 HG23 ILE 6 3HG2 ILE 6 0.425 0.404 -9.532 58 HD11 ILE 6 3HD1 ILE 6 0.817 -4.290 -8.372 59 HD12 ILE 6 1HD1 ILE 6 0.589 -3.265 -6.956 60 HD13 ILE 6 2HD1 ILE 6 2.111 -4.126 -7.186 61 H LEU 7 H LEU 7 2.459 1.825 -6.535 62 HA LEU 7 HA LEU 7 -0.115 2.986 -5.785 63 HB2 LEU 7 2HB LEU 7 2.611 4.270 -5.691 64 HB3 LEU 7 1HB LEU 7 1.135 4.869 -4.949 65 HG LEU 7 HG LEU 7 1.151 2.763 -3.525 66 HD11 LEU 7 1HD1 LEU 7 2.584 1.249 -4.473 67 HD12 LEU 7 2HD1 LEU 7 3.639 1.972 -3.258 68 HD13 LEU 7 3HD1 LEU 7 3.753 2.483 -4.943 69 HD21 LEU 7 3HD2 LEU 7 2.729 5.181 -3.318 70 HD22 LEU 7 1HD2 LEU 7 3.448 3.848 -2.413 71 HD23 LEU 7 2HD2 LEU 7 1.786 4.337 -2.089 72 H ASN 8 H ASN 8 -1.212 4.343 -7.044 73 HA ASN 8 HA ASN 8 0.105 5.215 -9.541 74 HB2 ASN 8 2HB ASN 8 -2.399 3.828 -9.094 75 HB3 ASN 8 1HB ASN 8 -2.654 5.330 -9.984 76 HD21 ASN 8 1HD2 ASN 8 -2.897 4.771 -12.028 77 HD22 ASN 8 2HD2 ASN 8 -1.836 3.745 -12.927 78 H LEU 9 H LEU 9 0.290 7.306 -9.882 79 HA LEU 9 HA LEU 9 -1.653 9.161 -8.747 80 HB2 LEU 9 2HB LEU 9 1.317 9.204 -8.178 81 HB3 LEU 9 1HB LEU 9 0.336 10.656 -8.037 82 HG LEU 9 HG LEU 9 -1.130 9.014 -6.502 83 HD11 LEU 9 1HD1 LEU 9 0.640 7.195 -6.952 84 HD12 LEU 9 2HD1 LEU 9 0.087 7.447 -5.299 85 HD13 LEU 9 3HD1 LEU 9 1.640 8.103 -5.815 86 HD21 LEU 9 3HD2 LEU 9 0.266 11.250 -6.109 87 HD22 LEU 9 1HD2 LEU 9 1.255 10.140 -5.160 88 HD23 LEU 9 2HD2 LEU 9 -0.457 10.334 -4.786 89 H LYS 10 H LYS 10 -2.200 9.222 -11.040 90 HA LYS 10 HA LYS 10 -2.279 10.349 -13.012 91 HB2 LYS 10 2HB LYS 10 -1.195 12.170 -11.306 92 HB3 LYS 10 1HB LYS 10 0.075 12.050 -12.510 93 HG2 LYS 10 2HG LYS 10 -1.209 12.962 -14.162 94 HG3 LYS 10 1HG LYS 10 -2.722 12.400 -13.447 95 HD2 LYS 10 2HD LYS 10 -2.614 14.093 -11.746 96 HD3 LYS 10 1HD LYS 10 -0.998 14.578 -12.272 97 HE2 LYS 10 2HE LYS 10 -1.776 15.709 -14.092 98 HE3 LYS 10 1HE LYS 10 -3.170 14.646 -14.290 99 HZ1 LYS 10 3HZ LYS 10 -4.243 16.438 -13.486 100 HZ2 LYS 10 1HZ LYS 10 -2.884 17.054 -12.686 101 HZ3 LYS 10 2HZ LYS 10 -3.783 15.800 -11.987 102 H GLN 11 H GLN 11 1.206 10.422 -12.254 103 HA GLN 11 HA GLN 11 1.663 8.604 -14.514 104 HB2 GLN 11 2HB GLN 11 2.155 11.300 -14.696 105 HB3 GLN 11 1HB GLN 11 3.726 10.673 -14.197 106 HG2 GLN 11 2HG GLN 11 3.749 9.159 -16.088 107 HG3 GLN 11 1HG GLN 11 2.145 9.709 -16.573 108 HE21 GLN 11 1HE2 GLN 11 4.667 9.779 -18.033 109 HE22 GLN 11 2HE2 GLN 11 4.935 11.436 -18.443 110 H ALA 12 H ALA 12 3.166 10.242 -11.736 111 HA ALA 12 HA ALA 12 5.387 8.567 -11.475 112 HB1 ALA 12 1HB ALA 12 4.567 10.802 -10.222 113 HB2 ALA 12 2HB ALA 12 5.853 9.758 -9.616 114 HB3 ALA 12 3HB ALA 12 4.220 9.600 -8.976 115 H LYS 13 H LYS 13 5.465 6.459 -11.096 116 HA LYS 13 HA LYS 13 3.307 5.233 -9.516 117 HB2 LYS 13 2HB LYS 13 3.766 3.133 -10.719 118 HB3 LYS 13 1HB LYS 13 3.438 4.429 -11.871 119 HG2 LYS 13 2HG LYS 13 5.378 4.079 -12.872 120 HG3 LYS 13 1HG LYS 13 6.241 4.354 -11.356 121 HD2 LYS 13 2HD LYS 13 6.597 2.164 -11.036 122 HD3 LYS 13 1HD LYS 13 4.946 1.740 -11.489 123 HE2 LYS 13 2HE LYS 13 6.654 0.776 -12.998 124 HE3 LYS 13 1HE LYS 13 5.504 1.826 -13.823 125 HZ1 LYS 13 3HZ LYS 13 8.289 2.489 -13.041 126 HZ2 LYS 13 1HZ LYS 13 7.184 3.624 -13.636 127 HZ3 LYS 13 2HZ LYS 13 7.679 2.333 -14.613 128 H GLU 14 H GLU 14 3.870 3.543 -8.057 129 HA GLU 14 HA GLU 14 6.700 3.341 -7.331 130 HB2 GLU 14 2HB GLU 14 4.584 4.623 -5.750 131 HB3 GLU 14 1HB GLU 14 5.489 3.400 -4.857 132 HG2 GLU 14 2HG GLU 14 7.383 4.947 -6.246 133 HG3 GLU 14 1HG GLU 14 6.232 6.076 -5.533 134 H GLU 15 H GLU 15 7.184 1.497 -5.967 135 HA GLU 15 HA GLU 15 5.112 -0.595 -6.068 136 HB2 GLU 15 2HB GLU 15 8.054 -0.854 -6.706 137 HB3 GLU 15 1HB GLU 15 6.972 -2.224 -6.495 138 HG2 GLU 15 2HG GLU 15 5.671 -1.568 -8.395 139 HG3 GLU 15 1HG GLU 15 6.582 -0.066 -8.551 140 H ALA 16 H ALA 16 5.437 -2.362 -4.527 141 HA ALA 16 HA ALA 16 7.251 -2.072 -2.348 142 HB1 ALA 16 1HB ALA 16 5.054 -0.468 -2.081 143 HB2 ALA 16 2HB ALA 16 5.926 -1.166 -0.711 144 HB3 ALA 16 3HB ALA 16 4.471 -1.954 -1.326 145 H ILE 17 H ILE 17 7.381 -3.962 -1.186 146 HA ILE 17 HA ILE 17 5.398 -6.052 -1.713 147 HB ILE 17 HB ILE 17 7.372 -7.687 -1.850 148 HG12 ILE 17 2HG1 ILE 17 9.198 -6.296 -3.302 149 HG13 ILE 17 1HG1 ILE 17 8.728 -5.065 -2.137 150 HG21 ILE 17 1HG2 ILE 17 6.076 -6.051 -3.887 151 HG22 ILE 17 2HG2 ILE 17 6.310 -7.798 -3.814 152 HG23 ILE 17 3HG2 ILE 17 7.601 -6.761 -4.421 153 HD11 ILE 17 3HD1 ILE 17 9.980 -7.739 -1.617 154 HD12 ILE 17 1HD1 ILE 17 9.212 -6.792 -0.343 155 HD13 ILE 17 2HD1 ILE 17 10.595 -6.136 -1.218 156 H LYS 18 H LYS 18 5.026 -7.427 -0.059 157 HA LYS 18 HA LYS 18 6.840 -7.369 2.228 158 HB2 LYS 18 2HB LYS 18 3.895 -7.138 2.741 159 HB3 LYS 18 1HB LYS 18 5.241 -6.702 3.786 160 HG2 LYS 18 2HG LYS 18 4.763 -5.221 1.252 161 HG3 LYS 18 1HG LYS 18 3.820 -4.847 2.684 162 HD2 LYS 18 2HD LYS 18 6.766 -4.527 2.211 163 HD3 LYS 18 1HD LYS 18 5.598 -3.331 2.764 164 HE2 LYS 18 2HE LYS 18 6.637 -3.771 4.739 165 HE3 LYS 18 1HE LYS 18 5.389 -5.014 4.793 166 HZ1 LYS 18 3HZ LYS 18 6.942 -6.573 4.831 167 HZ2 LYS 18 1HZ LYS 18 8.131 -5.373 4.923 168 HZ3 LYS 18 2HZ LYS 18 7.660 -5.982 3.418 169 H GLU 19 H GLU 19 7.403 -9.435 2.436 170 HA GLU 19 HA GLU 19 5.704 -11.595 1.661 171 HB2 GLU 19 2HB GLU 19 8.430 -11.321 2.835 172 HB3 GLU 19 1HB GLU 19 7.615 -12.873 3.003 173 HG2 GLU 19 2HG GLU 19 8.692 -13.250 1.048 174 HG3 GLU 19 1HG GLU 19 7.214 -12.534 0.412 175 H ALA 20 H ALA 20 4.049 -12.323 2.813 176 HA ALA 20 HA ALA 20 4.240 -13.210 5.461 177 HB1 ALA 20 1HB ALA 20 2.445 -10.855 5.506 178 HB2 ALA 20 2HB ALA 20 4.181 -10.547 5.564 179 HB3 ALA 20 3HB ALA 20 3.425 -11.562 6.791 180 H VAL 21 H VAL 21 1.940 -13.549 6.428 181 HA VAL 21 HA VAL 21 0.219 -14.474 4.227 182 HB VAL 21 HB VAL 21 1.048 -16.252 5.708 183 HG11 VAL 21 1HG1 VAL 21 1.255 -14.880 7.750 184 HG12 VAL 21 2HG1 VAL 21 0.377 -16.383 8.027 185 HG13 VAL 21 3HG1 VAL 21 -0.504 -14.860 7.891 186 HG21 VAL 21 3HG2 VAL 21 -0.888 -17.398 5.583 187 HG22 VAL 21 1HG2 VAL 21 -1.464 -15.954 4.758 188 HG23 VAL 21 2HG2 VAL 21 -1.795 -16.179 6.475 189 H ASP 22 H ASP 22 0.282 -12.673 7.234 190 HA ASP 22 HA ASP 22 -2.553 -12.215 7.291 191 HB2 ASP 22 2HB ASP 22 -0.214 -11.446 8.944 192 HB3 ASP 22 1HB ASP 22 -1.583 -10.337 8.971 193 H ALA 23 H ALA 23 -3.047 -11.293 5.319 194 HA ALA 23 HA ALA 23 -1.843 -9.335 3.893 195 HB1 ALA 23 1HB ALA 23 -4.730 -9.950 4.337 196 HB2 ALA 23 2HB ALA 23 -3.737 -10.199 2.902 197 HB3 ALA 23 3HB ALA 23 -4.264 -8.574 3.338 198 H GLY 24 H GLY 24 -3.615 -8.893 6.885 199 HA2 GLY 24 2HA GLY 24 -3.986 -6.118 6.776 200 HA3 GLY 24 1HA GLY 24 -3.861 -7.062 8.250 201 H ILE 25 H ILE 25 -1.139 -7.995 7.429 202 HA ILE 25 HA ILE 25 0.324 -5.892 8.700 203 HB ILE 25 HB ILE 25 1.240 -8.485 7.449 204 HG12 ILE 25 2HG1 ILE 25 -0.020 -8.875 9.454 205 HG13 ILE 25 1HG1 ILE 25 1.681 -9.068 9.859 206 HG21 ILE 25 1HG2 ILE 25 3.395 -8.056 8.626 207 HG22 ILE 25 2HG2 ILE 25 2.840 -6.411 8.940 208 HG23 ILE 25 3HG2 ILE 25 3.078 -6.961 7.281 209 HD11 ILE 25 3HD1 ILE 25 -0.162 -6.813 10.560 210 HD12 ILE 25 1HD1 ILE 25 1.592 -6.652 10.654 211 HD13 ILE 25 2HD1 ILE 25 0.764 -7.863 11.633 212 H ALA 26 H ALA 26 0.072 -7.131 5.390 213 HA ALA 26 HA ALA 26 2.153 -5.508 4.363 214 HB1 ALA 26 1HB ALA 26 -0.131 -6.569 2.734 215 HB2 ALA 26 2HB ALA 26 1.219 -7.574 3.262 216 HB3 ALA 26 3HB ALA 26 1.510 -6.185 2.209 217 H GLU 27 H GLU 27 -1.357 -5.061 4.616 218 HA GLU 27 HA GLU 27 -1.448 -2.683 3.095 219 HB2 GLU 27 2HB GLU 27 -3.592 -2.206 4.162 220 HB3 GLU 27 1HB GLU 27 -3.518 -3.882 3.642 221 HG2 GLU 27 2HG GLU 27 -2.825 -4.418 6.016 222 HG3 GLU 27 1HG GLU 27 -3.309 -2.774 6.418 223 H LYS 28 H LYS 28 -0.626 -3.371 6.410 224 HA LYS 28 HA LYS 28 -0.695 -0.721 7.395 225 HB2 LYS 28 2HB LYS 28 0.969 -3.081 8.301 226 HB3 LYS 28 1HB LYS 28 0.756 -1.587 9.205 227 HG2 LYS 28 2HG LYS 28 -1.744 -2.880 8.417 228 HG3 LYS 28 1HG LYS 28 -0.742 -3.831 9.512 229 HD2 LYS 28 2HD LYS 28 -1.213 -2.498 11.244 230 HD3 LYS 28 1HD LYS 28 -0.891 -1.041 10.304 231 HE2 LYS 28 2HE LYS 28 -3.087 -0.655 10.463 232 HE3 LYS 28 1HE LYS 28 -3.263 -1.919 9.247 233 HZ1 LYS 28 3HZ LYS 28 -3.855 -1.987 12.091 234 HZ2 LYS 28 1HZ LYS 28 -3.157 -3.389 11.451 235 HZ3 LYS 28 2HZ LYS 28 -4.604 -2.796 10.809 236 H TYR 29 H TYR 29 1.744 -2.621 5.724 237 HA TYR 29 HA TYR 29 3.748 -0.536 5.991 238 HB2 TYR 29 2HB TYR 29 3.684 -3.307 4.913 239 HB3 TYR 29 1HB TYR 29 4.876 -2.188 4.233 240 HD1 TYR 29 1HD TYR 29 5.696 -0.500 6.269 241 HD2 TYR 29 2HD TYR 29 4.826 -4.648 6.575 242 HE1 TYR 29 1HE TYR 29 7.145 -0.629 8.209 243 HE2 TYR 29 2HE TYR 29 6.303 -4.810 8.536 244 HH TYR 29 HH TYR 29 8.529 -3.064 9.316 245 H PHE 30 H PHE 30 1.626 -1.874 3.661 246 HA PHE 30 HA PHE 30 2.586 -0.556 1.378 247 HB2 PHE 30 2HB PHE 30 -0.090 -1.721 2.185 248 HB3 PHE 30 1HB PHE 30 0.169 -1.023 0.585 249 HD1 PHE 30 2HD PHE 30 3.231 -2.272 0.924 250 HD2 PHE 30 1HD PHE 30 -0.712 -3.724 0.908 251 HE1 PHE 30 2HE PHE 30 4.046 -4.388 0.002 252 HE2 PHE 30 1HE PHE 30 0.061 -5.879 -0.003 253 HZ PHE 30 HZ PHE 30 2.463 -6.199 -0.454 254 H LYS 31 H LYS 31 0.304 0.158 3.926 255 HA LYS 31 HA LYS 31 -0.345 2.768 2.867 256 HB2 LYS 31 2HB LYS 31 -1.892 2.964 4.634 257 HB3 LYS 31 1HB LYS 31 -1.970 1.272 4.165 258 HG2 LYS 31 2HG LYS 31 -0.296 0.867 6.065 259 HG3 LYS 31 1HG LYS 31 -0.722 2.491 6.606 260 HD2 LYS 31 2HD LYS 31 -2.699 0.261 6.137 261 HD3 LYS 31 1HD LYS 31 -2.040 0.704 7.713 262 HE2 LYS 31 2HE LYS 31 -4.029 1.866 7.702 263 HE3 LYS 31 1HE LYS 31 -2.907 3.083 7.096 264 HZ1 LYS 31 3HZ LYS 31 -4.151 1.402 5.084 265 HZ2 LYS 31 1HZ LYS 31 -3.849 3.067 5.070 266 HZ3 LYS 31 2HZ LYS 31 -5.195 2.458 5.893 267 H LEU 32 H LEU 32 1.973 1.263 4.952 268 HA LEU 32 HA LEU 32 2.612 3.495 6.573 269 HB2 LEU 32 2HB LEU 32 3.438 1.351 7.229 270 HB3 LEU 32 1HB LEU 32 4.331 1.159 5.731 271 HG LEU 32 HG LEU 32 5.886 2.882 6.357 272 HD11 LEU 32 1HD1 LEU 32 3.759 3.621 8.191 273 HD12 LEU 32 2HD1 LEU 32 5.089 4.586 7.549 274 HD13 LEU 32 3HD1 LEU 32 5.339 3.573 8.970 275 HD21 LEU 32 3HD2 LEU 32 6.851 1.115 7.339 276 HD22 LEU 32 1HD2 LEU 32 5.354 0.603 8.118 277 HD23 LEU 32 2HD2 LEU 32 6.334 1.871 8.845 278 H ILE 33 H ILE 33 4.103 2.344 3.527 279 HA ILE 33 HA ILE 33 5.648 4.755 3.290 280 HB ILE 33 HB ILE 33 6.621 2.727 2.412 281 HG12 ILE 33 2HG1 ILE 33 7.403 3.542 0.347 282 HG13 ILE 33 1HG1 ILE 33 5.859 4.292 -0.044 283 HG21 ILE 33 1HG2 ILE 33 4.709 1.418 1.894 284 HG22 ILE 33 2HG2 ILE 33 5.610 1.634 0.394 285 HG23 ILE 33 3HG2 ILE 33 4.156 2.585 0.693 286 HD11 ILE 33 3HD1 ILE 33 8.030 5.630 0.831 287 HD12 ILE 33 1HD1 ILE 33 7.183 5.349 2.352 288 HD13 ILE 33 2HD1 ILE 33 6.371 6.196 1.033 289 H ALA 34 H ALA 34 2.705 3.397 1.838 290 HA ALA 34 HA ALA 34 2.321 5.263 -0.188 291 HB1 ALA 34 1HB ALA 34 0.439 3.627 1.462 292 HB2 ALA 34 2HB ALA 34 0.851 3.463 -0.243 293 HB3 ALA 34 3HB ALA 34 -0.181 4.790 0.293 294 H ASN 35 H ASN 35 1.818 5.492 3.258 295 HA ASN 35 HA ASN 35 0.406 7.999 3.133 296 HB2 ASN 35 2HB ASN 35 1.481 6.263 5.325 297 HB3 ASN 35 1HB ASN 35 1.069 7.939 5.681 298 HD21 ASN 35 1HD2 ASN 35 -0.099 5.218 6.370 299 HD22 ASN 35 2HD2 ASN 35 -1.785 5.399 6.038 300 H ALA 36 H ALA 36 3.700 6.895 3.517 301 HA ALA 36 HA ALA 36 4.733 9.488 4.236 302 HB1 ALA 36 1HB ALA 36 6.960 8.346 3.855 303 HB2 ALA 36 2HB ALA 36 6.043 6.875 3.523 304 HB3 ALA 36 3HB ALA 36 5.927 7.645 5.102 305 H LYS 37 H LYS 37 4.493 7.525 1.325 306 HA LYS 37 HA LYS 37 5.866 9.571 -0.233 307 HB2 LYS 37 2HB LYS 37 5.029 6.753 -0.854 308 HB3 LYS 37 1HB LYS 37 5.379 7.883 -2.153 309 HG2 LYS 37 2HG LYS 37 7.364 7.577 0.038 310 HG3 LYS 37 1HG LYS 37 7.238 6.314 -1.189 311 HD2 LYS 37 2HD LYS 37 8.172 7.602 -2.779 312 HD3 LYS 37 1HD LYS 37 7.291 9.042 -2.264 313 HE2 LYS 37 2HE LYS 37 9.712 7.898 -0.875 314 HE3 LYS 37 1HE LYS 37 9.737 9.260 -1.995 315 HZ1 LYS 37 3HZ LYS 37 8.112 10.350 -0.435 316 HZ2 LYS 37 1HZ LYS 37 9.688 10.173 0.155 317 HZ3 LYS 37 2HZ LYS 37 8.466 9.126 0.677 318 H THR 38 H THR 38 2.790 7.770 -0.418 319 HA THR 38 HA THR 38 1.671 9.683 -2.265 320 HB THR 38 HB THR 38 -0.097 7.735 -0.894 321 HG1 THR 38 1HG THR 38 0.783 6.038 -2.184 322 HG21 THR 38 3HG2 THR 38 0.263 8.792 -3.642 323 HG22 THR 38 1HG2 THR 38 -1.201 8.620 -2.675 324 HG23 THR 38 2HG2 THR 38 -0.471 7.203 -3.429 325 H VAL 39 H VAL 39 -0.803 10.231 -1.635 326 HA VAL 39 HA VAL 39 -0.710 11.485 1.029 327 HB VAL 39 HB VAL 39 -0.437 13.171 -0.732 328 HG11 VAL 39 1HG1 VAL 39 -1.700 11.906 -2.477 329 HG12 VAL 39 2HG1 VAL 39 -2.117 13.615 -2.370 330 HG13 VAL 39 3HG1 VAL 39 -3.191 12.401 -1.677 331 HG21 VAL 39 3HG2 VAL 39 -3.197 13.694 0.199 332 HG22 VAL 39 1HG2 VAL 39 -1.753 14.700 0.305 333 HG23 VAL 39 2HG2 VAL 39 -1.985 13.366 1.435 334 H GLU 40 H GLU 40 -2.893 10.334 -1.545 335 HA GLU 40 HA GLU 40 -4.514 8.819 0.121 336 HB2 GLU 40 2HB GLU 40 -5.198 10.921 1.149 337 HB3 GLU 40 1HB GLU 40 -5.628 11.577 -0.430 338 HG2 GLU 40 2HG GLU 40 -7.433 10.024 -0.650 339 HG3 GLU 40 1HG GLU 40 -6.935 9.166 0.807 340 H GLY 41 H GLY 41 -5.931 7.620 -1.034 341 HA2 GLY 41 2HA GLY 41 -7.013 8.380 -3.558 342 HA3 GLY 41 1HA GLY 41 -5.623 7.317 -3.772 343 H VAL 42 H VAL 42 -7.648 6.174 -4.804 344 HA VAL 42 HA VAL 42 -9.339 4.788 -2.933 345 HB VAL 42 HB VAL 42 -10.100 3.499 -4.936 346 HG11 VAL 42 1HG1 VAL 42 -10.219 6.390 -5.654 347 HG12 VAL 42 2HG1 VAL 42 -10.913 5.852 -4.124 348 HG13 VAL 42 3HG1 VAL 42 -11.499 5.177 -5.645 349 HG21 VAL 42 3HG2 VAL 42 -9.105 5.120 -7.007 350 HG22 VAL 42 1HG2 VAL 42 -8.794 3.408 -6.729 351 HG23 VAL 42 2HG2 VAL 42 -7.710 4.621 -6.050 352 H TRP 43 H TRP 43 -8.398 3.353 -1.646 353 HA TRP 43 HA TRP 43 -6.153 1.773 -2.455 354 HB2 TRP 43 2HB TRP 43 -7.651 2.419 -0.016 355 HB3 TRP 43 1HB TRP 43 -6.951 0.817 -0.039 356 HD1 TRP 43 HD TRP 43 -5.972 4.529 -0.186 357 HE1 TRP 43 1HE TRP 43 -3.520 4.781 0.523 358 HE3 TRP 43 3HE TRP 43 -4.673 -0.437 0.200 359 HZ2 TRP 43 2HZ TRP 43 -1.348 3.119 1.173 360 HZ3 TRP 43 3HZ TRP 43 -2.371 -0.958 0.877 361 HH2 TRP 43 HH TRP 43 -0.765 0.767 1.341 362 H THR 44 H THR 44 -6.133 -0.318 -3.067 363 HA THR 44 HA THR 44 -8.484 -1.992 -2.677 364 HB THR 44 HB THR 44 -8.598 -2.641 -5.032 365 HG1 THR 44 1HG THR 44 -7.353 -1.610 -6.559 366 HG21 THR 44 3HG2 THR 44 -8.665 0.316 -5.240 367 HG22 THR 44 1HG2 THR 44 -9.753 -0.472 -4.098 368 HG23 THR 44 2HG2 THR 44 -9.819 -0.890 -5.810 369 H TYR 45 H TYR 45 -8.061 -4.250 -2.953 370 HA TYR 45 HA TYR 45 -5.247 -4.990 -3.280 371 HB2 TYR 45 2HB TYR 45 -5.188 -4.976 -0.977 372 HB3 TYR 45 1HB TYR 45 -6.894 -5.392 -0.812 373 HD1 TYR 45 1HD TYR 45 -3.543 -6.765 -1.588 374 HD2 TYR 45 2HD TYR 45 -7.569 -7.643 -0.534 375 HE1 TYR 45 1HE TYR 45 -2.910 -9.096 -1.138 376 HE2 TYR 45 2HE TYR 45 -6.948 -9.980 -0.084 377 HH TYR 45 HH TYR 45 -5.199 -11.574 -0.707 378 H LYS 46 H LYS 46 -4.886 -6.998 -4.140 379 HA LYS 46 HA LYS 46 -7.272 -8.374 -5.158 380 HB2 LYS 46 2HB LYS 46 -4.428 -8.682 -6.127 381 HB3 LYS 46 1HB LYS 46 -5.901 -9.232 -6.928 382 HG2 LYS 46 2HG LYS 46 -6.462 -7.121 -7.643 383 HG3 LYS 46 1HG LYS 46 -5.539 -6.325 -6.367 384 HD2 LYS 46 2HD LYS 46 -3.882 -6.039 -7.822 385 HD3 LYS 46 1HD LYS 46 -3.671 -7.790 -7.861 386 HE2 LYS 46 2HE LYS 46 -4.092 -7.553 -10.057 387 HE3 LYS 46 1HE LYS 46 -5.775 -7.492 -9.540 388 HZ1 LYS 46 3HZ LYS 46 -4.346 -4.964 -9.500 389 HZ2 LYS 46 1HZ LYS 46 -5.927 -5.308 -9.997 390 HZ3 LYS 46 2HZ LYS 46 -4.627 -5.618 -11.033 391 H ASP 47 H ASP 47 -7.676 -10.470 -4.708 392 HA ASP 47 HA ASP 47 -6.048 -11.717 -2.637 393 HB2 ASP 47 2HB ASP 47 -8.498 -11.642 -2.363 394 HB3 ASP 47 1HB ASP 47 -8.687 -12.597 -3.833 395 H GLU 48 H GLU 48 -6.752 -12.035 -6.008 396 HA GLU 48 HA GLU 48 -6.266 -14.627 -6.630 397 HB2 GLU 48 2HB GLU 48 -6.765 -12.863 -8.275 398 HB3 GLU 48 1HB GLU 48 -5.122 -12.260 -8.108 399 HG2 GLU 48 2HG GLU 48 -4.272 -14.397 -8.943 400 HG3 GLU 48 1HG GLU 48 -5.929 -14.959 -9.154 401 H ILE 49 H ILE 49 -3.718 -12.160 -6.256 402 HA ILE 49 HA ILE 49 -1.881 -14.290 -5.440 403 HB ILE 49 HB ILE 49 -0.066 -13.389 -6.793 404 HG12 ILE 49 2HG1 ILE 49 -0.935 -11.052 -6.903 405 HG13 ILE 49 1HG1 ILE 49 -0.406 -11.677 -8.460 406 HG21 ILE 49 1HG2 ILE 49 -1.727 -15.149 -7.629 407 HG22 ILE 49 2HG2 ILE 49 -0.682 -14.370 -8.818 408 HG23 ILE 49 3HG2 ILE 49 -2.363 -13.864 -8.661 409 HD11 ILE 49 3HD1 ILE 49 -3.089 -12.311 -8.379 410 HD12 ILE 49 1HD1 ILE 49 -2.351 -10.969 -9.248 411 HD13 ILE 49 2HD1 ILE 49 -3.005 -10.722 -7.629 412 H LYS 50 H LYS 50 -3.354 -12.079 -4.087 413 HA LYS 50 HA LYS 50 -3.017 -10.510 -2.481 414 HB2 LYS 50 2HB LYS 50 -0.331 -11.880 -2.298 415 HB3 LYS 50 1HB LYS 50 -0.991 -10.782 -1.094 416 HG2 LYS 50 2HG LYS 50 -1.865 -12.554 -0.092 417 HG3 LYS 50 1HG LYS 50 -2.977 -12.689 -1.456 418 HD2 LYS 50 2HD LYS 50 -1.495 -14.197 -2.588 419 HD3 LYS 50 1HD LYS 50 -0.244 -13.949 -1.369 420 HE2 LYS 50 2HE LYS 50 -1.388 -15.177 0.236 421 HE3 LYS 50 1HE LYS 50 -2.940 -14.975 -0.578 422 HZ1 LYS 50 3HZ LYS 50 -0.829 -16.931 -1.044 423 HZ2 LYS 50 1HZ LYS 50 -1.607 -16.335 -2.425 424 HZ3 LYS 50 2HZ LYS 50 -2.507 -17.085 -1.205 425 H THR 51 H THR 51 -3.089 -8.710 -3.874 426 HA THR 51 HA THR 51 -0.540 -7.307 -4.066 427 HB THR 51 HB THR 51 -2.347 -7.280 -6.459 428 HG1 THR 51 1HG THR 51 -1.810 -9.461 -6.107 429 HG21 THR 51 3HG2 THR 51 -0.576 -6.441 -7.631 430 HG22 THR 51 1HG2 THR 51 0.621 -7.144 -6.544 431 HG23 THR 51 2HG2 THR 51 -0.298 -5.725 -6.043 432 H PHE 52 H PHE 52 -0.781 -5.375 -3.207 433 HA PHE 52 HA PHE 52 -3.448 -4.200 -3.027 434 HB2 PHE 52 2HB PHE 52 -0.993 -4.070 -1.458 435 HB3 PHE 52 1HB PHE 52 -1.731 -2.497 -1.681 436 HD1 PHE 52 1HD PHE 52 -2.117 -5.835 -0.228 437 HD2 PHE 52 2HD PHE 52 -3.852 -1.977 -0.683 438 HE1 PHE 52 1HE PHE 52 -3.705 -6.340 1.583 439 HE2 PHE 52 2HE PHE 52 -5.446 -2.474 1.126 440 HZ PHE 52 HZ PHE 52 -5.372 -4.658 2.262 441 H THR 53 H THR 53 -3.988 -2.274 -3.922 442 HA THR 53 HA THR 53 -1.977 -0.777 -5.426 443 HB THR 53 HB THR 53 -4.560 -1.501 -6.776 444 HG1 THR 53 1HG THR 53 -3.702 -3.476 -6.533 445 HG21 THR 53 3HG2 THR 53 -3.427 -1.005 -8.799 446 HG22 THR 53 1HG2 THR 53 -1.879 -0.863 -7.967 447 HG23 THR 53 2HG2 THR 53 -3.142 0.336 -7.688 448 H VAL 54 H VAL 54 -2.384 1.383 -5.664 449 HA VAL 54 HA VAL 54 -4.935 2.370 -4.563 450 HB VAL 54 HB VAL 54 -2.457 2.776 -3.358 451 HG11 VAL 54 1HG1 VAL 54 -1.866 4.424 -5.130 452 HG12 VAL 54 2HG1 VAL 54 -2.005 5.174 -3.534 453 HG13 VAL 54 3HG1 VAL 54 -3.305 5.355 -4.712 454 HG21 VAL 54 3HG2 VAL 54 -3.726 4.394 -1.949 455 HG22 VAL 54 1HG2 VAL 54 -4.598 2.886 -2.236 456 HG23 VAL 54 2HG2 VAL 54 -5.035 4.341 -3.129 457 H THR 55 H THR 55 -5.850 4.180 -5.524 458 HA THR 55 HA THR 55 -4.521 5.185 -7.941 459 HB THR 55 HB THR 55 -7.404 5.119 -8.242 460 HG1 THR 55 1HG THR 55 -6.112 2.607 -8.034 461 HG21 THR 55 3HG2 THR 55 -6.720 5.091 -10.337 462 HG22 THR 55 1HG2 THR 55 -6.203 3.420 -10.107 463 HG23 THR 55 2HG2 THR 55 -5.064 4.741 -9.840 464 H GLU 56 H GLU 56 -4.460 7.332 -8.083 465 HA GLU 56 HA GLU 56 -5.239 9.018 -6.027 466 HB2 GLU 56 2HB GLU 56 -5.062 10.849 -7.838 467 HB3 GLU 56 1HB GLU 56 -3.628 9.901 -7.467 468 HG2 GLU 56 2HG GLU 56 -3.476 9.195 -9.557 469 HG3 GLU 56 1HG GLU 56 -5.148 8.638 -9.550 Start of MODEL 19 1 H1 THR 1 1HT THR 1 4.485 -15.509 2.419 2 H2 THR 1 2HT THR 1 2.937 -15.827 3.086 3 H3 THR 1 3HT THR 1 3.603 -14.243 3.174 4 HA THR 1 HA THR 1 3.075 -15.599 0.629 5 HB THR 1 HB THR 1 1.002 -14.034 0.709 6 HG1 THR 1 1HG THR 1 1.154 -12.955 2.559 7 HG21 THR 1 3HG2 THR 1 0.100 -16.057 0.681 8 HG22 THR 1 1HG2 THR 1 -0.034 -15.894 2.430 9 HG23 THR 1 2HG2 THR 1 1.353 -16.730 1.729 10 H THR 2 H THR 2 3.971 -14.477 -0.966 11 HA THR 2 HA THR 2 5.231 -11.951 -0.475 12 HB THR 2 HB THR 2 4.851 -13.164 -3.200 13 HG1 THR 2 1HG THR 2 6.683 -13.997 -1.203 14 HG21 THR 2 3HG2 THR 2 6.015 -11.088 -3.238 15 HG22 THR 2 1HG2 THR 2 7.186 -12.379 -3.500 16 HG23 THR 2 2HG2 THR 2 7.073 -11.594 -1.923 17 H TYR 3 H TYR 3 4.266 -10.049 -0.567 18 HA TYR 3 HA TYR 3 1.802 -9.782 -2.150 19 HB2 TYR 3 2HB TYR 3 2.802 -8.456 0.341 20 HB3 TYR 3 1HB TYR 3 1.657 -7.604 -0.694 21 HD1 TYR 3 2HD TYR 3 1.631 -11.261 -0.173 22 HD2 TYR 3 1HD TYR 3 -0.137 -7.531 0.841 23 HE1 TYR 3 2HE TYR 3 -0.240 -12.449 0.895 24 HE2 TYR 3 1HE TYR 3 -2.015 -8.704 1.912 25 HH TYR 3 HH TYR 3 -1.973 -11.773 2.845 26 H LYS 4 H LYS 4 1.461 -7.887 -3.404 27 HA LYS 4 HA LYS 4 3.903 -6.392 -4.084 28 HB2 LYS 4 2HB LYS 4 2.059 -7.905 -5.862 29 HB3 LYS 4 1HB LYS 4 2.693 -6.376 -6.464 30 HG2 LYS 4 2HG LYS 4 4.707 -7.244 -6.850 31 HG3 LYS 4 1HG LYS 4 4.751 -8.058 -5.286 32 HD2 LYS 4 2HD LYS 4 2.879 -9.514 -6.670 33 HD3 LYS 4 1HD LYS 4 4.046 -9.094 -7.926 34 HE2 LYS 4 2HE LYS 4 4.651 -10.444 -5.299 35 HE3 LYS 4 1HE LYS 4 4.622 -11.209 -6.886 36 HZ1 LYS 4 3HZ LYS 4 6.533 -10.083 -7.548 37 HZ2 LYS 4 1HZ LYS 4 6.868 -10.530 -5.951 38 HZ3 LYS 4 2HZ LYS 4 6.419 -8.942 -6.304 39 H LEU 5 H LEU 5 3.686 -4.234 -4.297 40 HA LEU 5 HA LEU 5 0.957 -3.118 -4.143 41 HB2 LEU 5 2HB LEU 5 2.415 -2.767 -2.062 42 HB3 LEU 5 1HB LEU 5 3.461 -1.803 -3.116 43 HG LEU 5 HG LEU 5 1.815 -0.142 -3.450 44 HD11 LEU 5 1HD1 LEU 5 -0.377 -0.799 -1.867 45 HD12 LEU 5 2HD1 LEU 5 -0.028 -2.247 -2.806 46 HD13 LEU 5 3HD1 LEU 5 -0.312 -0.714 -3.626 47 HD21 LEU 5 3HD2 LEU 5 1.046 0.010 -0.811 48 HD22 LEU 5 1HD2 LEU 5 2.539 0.645 -1.502 49 HD23 LEU 5 2HD2 LEU 5 2.524 -0.951 -0.754 50 H ILE 6 H ILE 6 0.457 -1.361 -5.324 51 HA ILE 6 HA ILE 6 2.541 -0.196 -6.990 52 HB ILE 6 HB ILE 6 -0.180 -0.938 -8.092 53 HG12 ILE 6 2HG1 ILE 6 1.172 -2.952 -7.706 54 HG13 ILE 6 1HG1 ILE 6 0.982 -2.636 -9.428 55 HG21 ILE 6 1HG2 ILE 6 1.340 -0.474 -10.248 56 HG22 ILE 6 2HG2 ILE 6 2.120 0.615 -9.102 57 HG23 ILE 6 3HG2 ILE 6 0.398 0.780 -9.443 58 HD11 ILE 6 3HD1 ILE 6 3.333 -1.322 -8.618 59 HD12 ILE 6 1HD1 ILE 6 3.175 -2.745 -9.649 60 HD13 ILE 6 2HD1 ILE 6 3.369 -2.936 -7.907 61 H LEU 7 H LEU 7 2.549 1.909 -6.503 62 HA LEU 7 HA LEU 7 0.064 3.113 -5.528 63 HB2 LEU 7 2HB LEU 7 2.825 4.300 -5.348 64 HB3 LEU 7 1HB LEU 7 1.388 4.769 -4.450 65 HG LEU 7 HG LEU 7 1.482 2.397 -3.446 66 HD11 LEU 7 1HD1 LEU 7 3.009 1.161 -4.589 67 HD12 LEU 7 2HD1 LEU 7 4.063 1.808 -3.332 68 HD13 LEU 7 3HD1 LEU 7 4.042 2.547 -4.933 69 HD21 LEU 7 3HD2 LEU 7 3.847 3.868 -2.496 70 HD22 LEU 7 1HD2 LEU 7 2.420 3.319 -1.619 71 HD23 LEU 7 2HD2 LEU 7 2.350 4.799 -2.576 72 H ASN 8 H ASN 8 -0.976 4.652 -6.570 73 HA ASN 8 HA ASN 8 0.379 6.048 -8.775 74 HB2 ASN 8 2HB ASN 8 -1.868 4.206 -8.971 75 HB3 ASN 8 1HB ASN 8 -2.265 5.795 -9.625 76 HD21 ASN 8 1HD2 ASN 8 -0.617 6.710 -11.134 77 HD22 ASN 8 2HD2 ASN 8 0.127 5.619 -12.248 78 H LEU 9 H LEU 9 0.442 8.090 -8.095 79 HA LEU 9 HA LEU 9 -1.954 9.214 -6.796 80 HB2 LEU 9 2HB LEU 9 -0.590 10.718 -5.620 81 HB3 LEU 9 1HB LEU 9 0.325 9.215 -5.572 82 HG LEU 9 HG LEU 9 0.870 11.449 -7.534 83 HD11 LEU 9 1HD1 LEU 9 2.878 11.833 -6.066 84 HD12 LEU 9 2HD1 LEU 9 2.076 10.842 -4.848 85 HD13 LEU 9 3HD1 LEU 9 1.332 12.345 -5.392 86 HD21 LEU 9 3HD2 LEU 9 1.766 9.521 -8.457 87 HD22 LEU 9 1HD2 LEU 9 2.174 8.836 -6.885 88 HD23 LEU 9 2HD2 LEU 9 3.119 10.175 -7.536 89 H LYS 10 H LYS 10 -1.561 8.881 -9.678 90 HA LYS 10 HA LYS 10 -2.055 10.024 -11.572 91 HB2 LYS 10 2HB LYS 10 -3.229 11.532 -9.488 92 HB3 LYS 10 1HB LYS 10 -2.491 12.681 -10.583 93 HG2 LYS 10 2HG LYS 10 -4.225 10.489 -11.639 94 HG3 LYS 10 1HG LYS 10 -4.935 11.959 -10.970 95 HD2 LYS 10 2HD LYS 10 -2.760 12.450 -12.851 96 HD3 LYS 10 1HD LYS 10 -4.140 11.618 -13.567 97 HE2 LYS 10 2HE LYS 10 -4.715 13.940 -11.820 98 HE3 LYS 10 1HE LYS 10 -3.980 14.281 -13.392 99 HZ1 LYS 10 3HZ LYS 10 -5.826 12.761 -14.286 100 HZ2 LYS 10 1HZ LYS 10 -6.238 14.336 -13.823 101 HZ3 LYS 10 2HZ LYS 10 -6.587 13.036 -12.803 102 H GLN 11 H GLN 11 0.640 9.860 -10.635 103 HA GLN 11 HA GLN 11 1.798 11.942 -12.277 104 HB2 GLN 11 2HB GLN 11 1.994 11.953 -9.327 105 HB3 GLN 11 1HB GLN 11 3.525 12.157 -10.183 106 HG2 GLN 11 2HG GLN 11 2.925 14.177 -11.062 107 HG3 GLN 11 1HG GLN 11 1.203 13.808 -11.032 108 HE21 GLN 11 1HE2 GLN 11 3.867 15.147 -9.338 109 HE22 GLN 11 2HE2 GLN 11 2.996 15.686 -7.942 110 H ALA 12 H ALA 12 3.224 9.928 -9.719 111 HA ALA 12 HA ALA 12 4.716 8.486 -11.822 112 HB1 ALA 12 1HB ALA 12 5.829 10.050 -9.934 113 HB2 ALA 12 2HB ALA 12 6.632 8.647 -10.640 114 HB3 ALA 12 3HB ALA 12 5.816 8.506 -9.083 115 H LYS 13 H LYS 13 5.394 6.265 -11.183 116 HA LYS 13 HA LYS 13 3.339 4.983 -9.512 117 HB2 LYS 13 2HB LYS 13 3.549 2.990 -11.009 118 HB3 LYS 13 1HB LYS 13 2.988 4.418 -11.877 119 HG2 LYS 13 2HG LYS 13 5.663 4.626 -12.240 120 HG3 LYS 13 1HG LYS 13 5.465 2.872 -12.165 121 HD2 LYS 13 2HD LYS 13 4.453 2.800 -14.167 122 HD3 LYS 13 1HD LYS 13 3.440 4.198 -13.798 123 HE2 LYS 13 2HE LYS 13 5.733 5.478 -14.109 124 HE3 LYS 13 1HE LYS 13 6.122 4.063 -15.090 125 HZ1 LYS 13 3HZ LYS 13 3.907 5.990 -15.487 126 HZ2 LYS 13 1HZ LYS 13 3.979 4.501 -16.289 127 HZ3 LYS 13 2HZ LYS 13 5.192 5.652 -16.537 128 H GLU 14 H GLU 14 4.084 3.976 -7.788 129 HA GLU 14 HA GLU 14 6.903 3.118 -7.752 130 HB2 GLU 14 2HB GLU 14 5.502 4.849 -5.992 131 HB3 GLU 14 1HB GLU 14 5.841 3.365 -5.101 132 HG2 GLU 14 2HG GLU 14 7.833 5.138 -6.494 133 HG3 GLU 14 1HG GLU 14 7.623 4.928 -4.756 134 H GLU 15 H GLU 15 7.397 1.217 -6.473 135 HA GLU 15 HA GLU 15 5.113 -0.636 -6.293 136 HB2 GLU 15 2HB GLU 15 7.959 -1.424 -6.908 137 HB3 GLU 15 1HB GLU 15 6.521 -2.429 -7.020 138 HG2 GLU 15 2HG GLU 15 5.936 -1.615 -9.034 139 HG3 GLU 15 1HG GLU 15 6.515 0.009 -8.669 140 H ALA 16 H ALA 16 5.416 -2.439 -4.755 141 HA ALA 16 HA ALA 16 7.371 -2.187 -2.676 142 HB1 ALA 16 1HB ALA 16 6.116 -1.292 -0.978 143 HB2 ALA 16 2HB ALA 16 4.632 -2.062 -1.545 144 HB3 ALA 16 3HB ALA 16 5.203 -0.576 -2.310 145 H ILE 17 H ILE 17 7.546 -4.066 -1.513 146 HA ILE 17 HA ILE 17 5.554 -6.165 -1.968 147 HB ILE 17 HB ILE 17 7.666 -7.731 -2.071 148 HG12 ILE 17 2HG1 ILE 17 9.407 -6.685 -3.559 149 HG13 ILE 17 1HG1 ILE 17 8.657 -5.124 -3.244 150 HG21 ILE 17 1HG2 ILE 17 7.296 -6.597 -4.717 151 HG22 ILE 17 2HG2 ILE 17 5.773 -6.844 -3.865 152 HG23 ILE 17 3HG2 ILE 17 6.878 -8.196 -4.101 153 HD11 ILE 17 3HD1 ILE 17 9.594 -6.840 -0.984 154 HD12 ILE 17 1HD1 ILE 17 9.354 -5.093 -1.040 155 HD13 ILE 17 2HD1 ILE 17 10.721 -5.823 -1.882 156 H LYS 18 H LYS 18 5.147 -7.422 -0.243 157 HA LYS 18 HA LYS 18 7.070 -7.465 1.957 158 HB2 LYS 18 2HB LYS 18 4.267 -7.187 2.838 159 HB3 LYS 18 1HB LYS 18 5.736 -6.488 3.513 160 HG2 LYS 18 2HG LYS 18 4.618 -5.471 0.953 161 HG3 LYS 18 1HG LYS 18 3.930 -4.953 2.482 162 HD2 LYS 18 2HD LYS 18 6.709 -4.509 1.428 163 HD3 LYS 18 1HD LYS 18 5.522 -3.310 1.926 164 HE2 LYS 18 2HE LYS 18 6.753 -3.250 3.808 165 HE3 LYS 18 1HE LYS 18 5.813 -4.682 4.226 166 HZ1 LYS 18 3HZ LYS 18 8.066 -5.208 4.603 167 HZ2 LYS 18 1HZ LYS 18 8.556 -4.578 3.111 168 HZ3 LYS 18 2HZ LYS 18 7.645 -6.002 3.171 169 H GLU 19 H GLU 19 7.226 -9.387 2.949 170 HA GLU 19 HA GLU 19 5.343 -11.484 2.117 171 HB2 GLU 19 2HB GLU 19 8.248 -11.410 2.614 172 HB3 GLU 19 1HB GLU 19 7.423 -12.831 3.245 173 HG2 GLU 19 2HG GLU 19 6.375 -12.922 0.856 174 HG3 GLU 19 1HG GLU 19 7.773 -11.938 0.426 175 H ALA 20 H ALA 20 3.789 -11.754 3.598 176 HA ALA 20 HA ALA 20 4.615 -12.031 6.409 177 HB1 ALA 20 1HB ALA 20 1.947 -10.861 5.882 178 HB2 ALA 20 2HB ALA 20 3.354 -9.825 5.639 179 HB3 ALA 20 3HB ALA 20 3.071 -10.575 7.211 180 H VAL 21 H VAL 21 2.564 -12.895 7.686 181 HA VAL 21 HA VAL 21 1.967 -15.448 6.505 182 HB VAL 21 HB VAL 21 2.508 -15.286 8.892 183 HG11 VAL 21 1HG1 VAL 21 -0.072 -13.736 9.073 184 HG12 VAL 21 2HG1 VAL 21 1.553 -13.128 9.396 185 HG13 VAL 21 3HG1 VAL 21 0.839 -14.340 10.456 186 HG21 VAL 21 3HG2 VAL 21 0.665 -16.670 9.750 187 HG22 VAL 21 1HG2 VAL 21 1.172 -17.162 8.137 188 HG23 VAL 21 2HG2 VAL 21 -0.306 -16.227 8.346 189 H ASP 22 H ASP 22 0.232 -12.488 7.233 190 HA ASP 22 HA ASP 22 -2.135 -13.613 5.900 191 HB2 ASP 22 2HB ASP 22 -2.073 -12.813 8.485 192 HB3 ASP 22 1HB ASP 22 -2.494 -11.291 7.707 193 H ALA 23 H ALA 23 -3.371 -10.910 5.982 194 HA ALA 23 HA ALA 23 -1.812 -9.693 3.800 195 HB1 ALA 23 1HB ALA 23 -3.794 -9.082 2.709 196 HB2 ALA 23 2HB ALA 23 -4.776 -9.368 4.145 197 HB3 ALA 23 3HB ALA 23 -4.081 -10.730 3.266 198 H GLY 24 H GLY 24 -3.516 -9.144 6.791 199 HA2 GLY 24 2HA GLY 24 -3.788 -6.376 6.739 200 HA3 GLY 24 1HA GLY 24 -3.592 -7.334 8.194 201 H ILE 25 H ILE 25 -0.954 -8.324 7.324 202 HA ILE 25 HA ILE 25 0.631 -6.326 8.544 203 HB ILE 25 HB ILE 25 1.353 -8.853 7.069 204 HG12 ILE 25 2HG1 ILE 25 0.339 -9.215 9.235 205 HG13 ILE 25 1HG1 ILE 25 2.060 -9.561 9.358 206 HG21 ILE 25 1HG2 ILE 25 3.630 -8.301 8.362 207 HG22 ILE 25 2HG2 ILE 25 3.110 -6.659 7.985 208 HG23 ILE 25 3HG2 ILE 25 3.338 -7.831 6.687 209 HD11 ILE 25 3HD1 ILE 25 1.616 -8.363 11.280 210 HD12 ILE 25 1HD1 ILE 25 0.519 -7.253 10.459 211 HD13 ILE 25 2HD1 ILE 25 2.258 -7.133 10.192 212 H ALA 26 H ALA 26 0.339 -7.378 5.150 213 HA ALA 26 HA ALA 26 2.309 -5.615 4.187 214 HB1 ALA 26 1HB ALA 26 0.016 -6.582 2.525 215 HB2 ALA 26 2HB ALA 26 1.358 -7.632 2.984 216 HB3 ALA 26 3HB ALA 26 1.659 -6.181 2.019 217 H GLU 27 H GLU 27 -1.244 -5.283 4.356 218 HA GLU 27 HA GLU 27 -1.423 -2.841 3.031 219 HB2 GLU 27 2HB GLU 27 -3.486 -2.391 4.291 220 HB3 GLU 27 1HB GLU 27 -3.458 -4.024 3.646 221 HG2 GLU 27 2HG GLU 27 -2.633 -4.755 5.902 222 HG3 GLU 27 1HG GLU 27 -3.017 -3.136 6.475 223 H LYS 28 H LYS 28 -0.361 -3.584 6.271 224 HA LYS 28 HA LYS 28 -0.413 -0.951 7.312 225 HB2 LYS 28 2HB LYS 28 1.196 -3.395 8.036 226 HB3 LYS 28 1HB LYS 28 1.383 -1.869 8.885 227 HG2 LYS 28 2HG LYS 28 -1.123 -1.975 9.286 228 HG3 LYS 28 1HG LYS 28 -1.011 -3.654 8.764 229 HD2 LYS 28 2HD LYS 28 1.031 -2.997 10.712 230 HD3 LYS 28 1HD LYS 28 -0.591 -2.681 11.333 231 HE2 LYS 28 2HE LYS 28 -0.316 -5.221 9.897 232 HE3 LYS 28 1HE LYS 28 0.659 -5.106 11.363 233 HZ1 LYS 28 3HZ LYS 28 -1.624 -4.182 12.289 234 HZ2 LYS 28 1HZ LYS 28 -1.266 -5.836 12.267 235 HZ3 LYS 28 2HZ LYS 28 -2.241 -5.166 11.059 236 H TYR 29 H TYR 29 2.057 -2.828 5.618 237 HA TYR 29 HA TYR 29 3.970 -0.663 5.708 238 HB2 TYR 29 2HB TYR 29 3.945 -3.426 4.595 239 HB3 TYR 29 1HB TYR 29 5.066 -2.255 3.892 240 HD1 TYR 29 2HD TYR 29 5.870 -0.574 5.976 241 HD2 TYR 29 1HD TYR 29 5.256 -4.776 6.126 242 HE1 TYR 29 2HE TYR 29 7.407 -0.698 7.843 243 HE2 TYR 29 1HE TYR 29 6.821 -4.932 8.020 244 HH TYR 29 HH TYR 29 8.992 -2.991 8.779 245 H PHE 30 H PHE 30 1.758 -2.040 3.487 246 HA PHE 30 HA PHE 30 2.597 -0.668 1.183 247 HB2 PHE 30 2HB PHE 30 0.046 -2.044 2.045 248 HB3 PHE 30 1HB PHE 30 0.177 -1.275 0.461 249 HD1 PHE 30 2HD PHE 30 3.340 -2.274 0.643 250 HD2 PHE 30 1HD PHE 30 -0.463 -4.052 0.712 251 HE1 PHE 30 2HE PHE 30 4.297 -4.283 -0.394 252 HE2 PHE 30 1HE PHE 30 0.445 -6.095 -0.312 253 HZ PHE 30 HZ PHE 30 2.844 -6.206 -0.865 254 H LYS 31 H LYS 31 0.487 -0.045 3.871 255 HA LYS 31 HA LYS 31 -0.335 2.529 2.808 256 HB2 LYS 31 2HB LYS 31 -1.905 2.649 4.544 257 HB3 LYS 31 1HB LYS 31 -1.893 0.944 4.115 258 HG2 LYS 31 2HG LYS 31 -0.232 0.649 6.034 259 HG3 LYS 31 1HG LYS 31 -0.694 2.279 6.526 260 HD2 LYS 31 2HD LYS 31 -2.709 0.093 6.058 261 HD3 LYS 31 1HD LYS 31 -1.944 0.362 7.626 262 HE2 LYS 31 2HE LYS 31 -3.117 2.251 8.024 263 HE3 LYS 31 1HE LYS 31 -3.090 2.749 6.334 264 HZ1 LYS 31 3HZ LYS 31 -5.249 2.197 6.436 265 HZ2 LYS 31 1HZ LYS 31 -5.053 1.171 7.768 266 HZ3 LYS 31 2HZ LYS 31 -4.685 0.617 6.212 267 H LEU 32 H LEU 32 2.048 1.078 4.849 268 HA LEU 32 HA LEU 32 2.617 3.265 6.532 269 HB2 LEU 32 2HB LEU 32 3.594 1.155 7.061 270 HB3 LEU 32 1HB LEU 32 4.447 1.083 5.529 271 HG LEU 32 HG LEU 32 5.828 3.005 6.217 272 HD11 LEU 32 1HD1 LEU 32 5.189 2.921 9.027 273 HD12 LEU 32 2HD1 LEU 32 3.794 3.416 8.074 274 HD13 LEU 32 3HD1 LEU 32 5.307 4.305 7.938 275 HD21 LEU 32 3HD2 LEU 32 6.910 1.794 8.235 276 HD22 LEU 32 1HD2 LEU 32 6.895 1.002 6.659 277 HD23 LEU 32 2HD2 LEU 32 5.720 0.531 7.889 278 H ILE 33 H ILE 33 4.104 2.373 3.399 279 HA ILE 33 HA ILE 33 5.459 4.913 3.272 280 HB ILE 33 HB ILE 33 6.569 2.941 2.353 281 HG12 ILE 33 2HG1 ILE 33 7.402 3.938 0.378 282 HG13 ILE 33 1HG1 ILE 33 5.860 4.704 0.013 283 HG21 ILE 33 1HG2 ILE 33 4.256 2.866 0.424 284 HG22 ILE 33 2HG2 ILE 33 4.670 1.653 1.636 285 HG23 ILE 33 3HG2 ILE 33 5.736 1.921 0.256 286 HD11 ILE 33 3HD1 ILE 33 7.970 5.990 1.069 287 HD12 ILE 33 1HD1 ILE 33 7.121 5.522 2.541 288 HD13 ILE 33 2HD1 ILE 33 6.295 6.489 1.318 289 H ALA 34 H ALA 34 2.636 3.369 1.765 290 HA ALA 34 HA ALA 34 2.142 5.284 -0.211 291 HB1 ALA 34 1HB ALA 34 0.317 3.463 1.324 292 HB2 ALA 34 2HB ALA 34 0.905 3.283 -0.327 293 HB3 ALA 34 3HB ALA 34 -0.277 4.535 0.059 294 H ASN 35 H ASN 35 1.479 5.245 3.221 295 HA ASN 35 HA ASN 35 -0.145 7.620 3.180 296 HB2 ASN 35 2HB ASN 35 -0.326 5.817 4.933 297 HB3 ASN 35 1HB ASN 35 1.233 6.349 5.556 298 HD21 ASN 35 1HD2 ASN 35 1.084 7.629 7.237 299 HD22 ASN 35 2HD2 ASN 35 -0.188 8.752 7.560 300 H ALA 36 H ALA 36 3.221 6.791 3.596 301 HA ALA 36 HA ALA 36 4.018 9.389 4.531 302 HB1 ALA 36 1HB ALA 36 5.175 6.958 4.677 303 HB2 ALA 36 2HB ALA 36 6.048 8.473 4.858 304 HB3 ALA 36 3HB ALA 36 6.053 7.642 3.309 305 H LYS 37 H LYS 37 3.815 7.729 1.447 306 HA LYS 37 HA LYS 37 5.291 9.658 -0.041 307 HB2 LYS 37 2HB LYS 37 3.274 7.592 -0.954 308 HB3 LYS 37 1HB LYS 37 4.219 8.596 -2.041 309 HG2 LYS 37 2HG LYS 37 6.280 7.629 -0.980 310 HG3 LYS 37 1HG LYS 37 5.219 6.485 -0.161 311 HD2 LYS 37 2HD LYS 37 6.032 5.408 -2.121 312 HD3 LYS 37 1HD LYS 37 4.342 5.821 -2.414 313 HE2 LYS 37 2HE LYS 37 6.253 7.896 -3.212 314 HE3 LYS 37 1HE LYS 37 6.413 6.381 -4.101 315 HZ1 LYS 37 3HZ LYS 37 4.157 8.257 -4.016 316 HZ2 LYS 37 1HZ LYS 37 3.839 6.618 -4.290 317 HZ3 LYS 37 2HZ LYS 37 4.852 7.471 -5.343 318 H THR 38 H THR 38 1.812 8.950 0.169 319 HA THR 38 HA THR 38 1.233 11.794 -0.225 320 HB THR 38 HB THR 38 -0.808 10.483 -1.608 321 HG1 THR 38 1HG THR 38 1.711 9.456 -2.402 322 HG21 THR 38 3HG2 THR 38 1.553 11.588 -3.054 323 HG22 THR 38 1HG2 THR 38 0.498 12.647 -2.120 324 HG23 THR 38 2HG2 THR 38 -0.161 11.699 -3.453 325 H VAL 39 H VAL 39 -1.522 11.674 -0.244 326 HA VAL 39 HA VAL 39 -2.406 10.014 1.962 327 HB VAL 39 HB VAL 39 -3.272 12.006 3.239 328 HG11 VAL 39 1HG1 VAL 39 -1.141 10.622 3.702 329 HG12 VAL 39 2HG1 VAL 39 -1.359 12.157 4.544 330 HG13 VAL 39 3HG1 VAL 39 -0.280 12.060 3.152 331 HG21 VAL 39 3HG2 VAL 39 -2.386 14.164 2.869 332 HG22 VAL 39 1HG2 VAL 39 -2.914 13.584 1.290 333 HG23 VAL 39 2HG2 VAL 39 -1.201 13.563 1.710 334 H GLU 40 H GLU 40 -3.283 9.938 -0.651 335 HA GLU 40 HA GLU 40 -6.064 10.253 -0.346 336 HB2 GLU 40 2HB GLU 40 -6.274 11.949 -2.298 337 HB3 GLU 40 1HB GLU 40 -5.956 12.548 -0.670 338 HG2 GLU 40 2HG GLU 40 -3.747 13.064 -1.156 339 HG3 GLU 40 1HG GLU 40 -3.704 12.000 -2.561 340 H GLY 41 H GLY 41 -7.004 8.791 -1.609 341 HA2 GLY 41 2HA GLY 41 -6.816 8.324 -4.267 342 HA3 GLY 41 1HA GLY 41 -5.414 7.459 -3.640 343 H VAL 42 H VAL 42 -7.606 6.272 -5.012 344 HA VAL 42 HA VAL 42 -9.315 5.006 -3.070 345 HB VAL 42 HB VAL 42 -9.966 3.540 -5.043 346 HG11 VAL 42 1HG1 VAL 42 -11.556 5.118 -4.759 347 HG12 VAL 42 2HG1 VAL 42 -10.892 5.744 -6.269 348 HG13 VAL 42 3HG1 VAL 42 -10.391 6.442 -4.728 349 HG21 VAL 42 3HG2 VAL 42 -8.997 5.388 -7.030 350 HG22 VAL 42 1HG2 VAL 42 -8.852 3.632 -6.964 351 HG23 VAL 42 2HG2 VAL 42 -7.656 4.645 -6.160 352 H TRP 43 H TRP 43 -8.520 3.550 -1.725 353 HA TRP 43 HA TRP 43 -6.209 1.970 -2.363 354 HB2 TRP 43 2HB TRP 43 -7.789 2.739 -0.026 355 HB3 TRP 43 1HB TRP 43 -7.160 1.109 0.054 356 HD1 TRP 43 HD TRP 43 -6.035 4.773 -0.101 357 HE1 TRP 43 1HE TRP 43 -3.602 4.940 0.701 358 HE3 TRP 43 3HE TRP 43 -4.925 -0.236 0.319 359 HZ2 TRP 43 2HZ TRP 43 -1.507 3.201 1.416 360 HZ3 TRP 43 3HZ TRP 43 -2.671 -0.843 1.074 361 HH2 TRP 43 HH TRP 43 -1.019 0.827 1.601 362 H THR 44 H THR 44 -6.207 -0.084 -3.062 363 HA THR 44 HA THR 44 -8.516 -1.797 -2.592 364 HB THR 44 HB THR 44 -8.659 -2.454 -4.968 365 HG1 THR 44 1HG THR 44 -7.421 -1.558 -6.462 366 HG21 THR 44 3HG2 THR 44 -8.943 0.497 -5.077 367 HG22 THR 44 1HG2 THR 44 -9.930 -0.404 -3.926 368 HG23 THR 44 2HG2 THR 44 -10.028 -0.771 -5.648 369 H TYR 45 H TYR 45 -8.083 -4.049 -2.921 370 HA TYR 45 HA TYR 45 -5.273 -4.765 -3.340 371 HB2 TYR 45 2HB TYR 45 -5.194 -4.766 -1.019 372 HB3 TYR 45 1HB TYR 45 -6.870 -5.291 -0.850 373 HD1 TYR 45 1HD TYR 45 -3.553 -6.513 -2.056 374 HD2 TYR 45 2HD TYR 45 -7.303 -7.506 -0.309 375 HE1 TYR 45 1HE TYR 45 -2.776 -8.820 -1.715 376 HE2 TYR 45 2HE TYR 45 -6.536 -9.817 0.038 377 HH TYR 45 HH TYR 45 -4.860 -11.362 -0.911 378 H LYS 46 H LYS 46 -4.925 -6.759 -4.243 379 HA LYS 46 HA LYS 46 -7.339 -8.151 -5.179 380 HB2 LYS 46 2HB LYS 46 -4.546 -8.372 -6.309 381 HB3 LYS 46 1HB LYS 46 -6.047 -8.945 -7.039 382 HG2 LYS 46 2HG LYS 46 -6.166 -6.113 -6.486 383 HG3 LYS 46 1HG LYS 46 -4.775 -6.515 -7.493 384 HD2 LYS 46 2HD LYS 46 -6.063 -6.948 -9.270 385 HD3 LYS 46 1HD LYS 46 -7.193 -7.910 -8.315 386 HE2 LYS 46 2HE LYS 46 -8.533 -6.166 -8.998 387 HE3 LYS 46 1HE LYS 46 -7.983 -5.594 -7.423 388 HZ1 LYS 46 3HZ LYS 46 -6.070 -4.655 -9.057 389 HZ2 LYS 46 1HZ LYS 46 -7.423 -3.767 -8.560 390 HZ3 LYS 46 2HZ LYS 46 -7.429 -4.551 -10.058 391 H ASP 47 H ASP 47 -7.670 -10.266 -4.736 392 HA ASP 47 HA ASP 47 -5.824 -11.518 -2.844 393 HB2 ASP 47 2HB ASP 47 -8.225 -11.389 -2.255 394 HB3 ASP 47 1HB ASP 47 -8.610 -12.366 -3.672 395 H GLU 48 H GLU 48 -7.056 -11.866 -6.076 396 HA GLU 48 HA GLU 48 -6.542 -14.515 -6.636 397 HB2 GLU 48 2HB GLU 48 -6.959 -12.099 -8.140 398 HB3 GLU 48 1HB GLU 48 -5.721 -13.074 -8.916 399 HG2 GLU 48 2HG GLU 48 -7.672 -14.911 -8.284 400 HG3 GLU 48 1HG GLU 48 -8.591 -13.475 -8.752 401 H ILE 49 H ILE 49 -4.272 -11.864 -6.316 402 HA ILE 49 HA ILE 49 -2.082 -13.798 -6.405 403 HB ILE 49 HB ILE 49 -0.691 -12.320 -7.781 404 HG12 ILE 49 2HG1 ILE 49 -1.923 -10.218 -7.217 405 HG13 ILE 49 1HG1 ILE 49 -1.583 -10.414 -8.932 406 HG21 ILE 49 1HG2 ILE 49 -1.819 -14.132 -8.883 407 HG22 ILE 49 2HG2 ILE 49 -1.845 -12.720 -9.941 408 HG23 ILE 49 3HG2 ILE 49 -3.291 -13.174 -9.041 409 HD11 ILE 49 3HD1 ILE 49 -4.090 -11.559 -8.569 410 HD12 ILE 49 1HD1 ILE 49 -3.723 -9.996 -9.301 411 HD13 ILE 49 2HD1 ILE 49 -4.101 -10.098 -7.581 412 H LYS 50 H LYS 50 -3.565 -11.888 -4.460 413 HA LYS 50 HA LYS 50 -3.065 -10.515 -2.708 414 HB2 LYS 50 2HB LYS 50 -0.374 -11.875 -2.792 415 HB3 LYS 50 1HB LYS 50 -1.174 -11.175 -1.393 416 HG2 LYS 50 2HG LYS 50 -2.260 -13.058 -0.963 417 HG3 LYS 50 1HG LYS 50 -2.823 -13.194 -2.631 418 HD2 LYS 50 2HD LYS 50 0.023 -13.791 -2.249 419 HD3 LYS 50 1HD LYS 50 -1.078 -14.906 -1.433 420 HE2 LYS 50 2HE LYS 50 -1.959 -15.690 -3.391 421 HE3 LYS 50 1HE LYS 50 -1.671 -14.180 -4.251 422 HZ1 LYS 50 3HZ LYS 50 0.073 -16.469 -3.898 423 HZ2 LYS 50 1HZ LYS 50 0.824 -14.957 -3.787 424 HZ3 LYS 50 2HZ LYS 50 -0.032 -15.373 -5.184 425 H THR 51 H THR 51 -3.084 -8.605 -4.070 426 HA THR 51 HA THR 51 -0.515 -7.244 -3.990 427 HB THR 51 HB THR 51 -2.139 -7.416 -6.534 428 HG1 THR 51 1HG THR 51 0.237 -8.674 -5.695 429 HG21 THR 51 3HG2 THR 51 0.609 -6.263 -6.284 430 HG22 THR 51 1HG2 THR 51 -0.834 -5.270 -6.078 431 HG23 THR 51 2HG2 THR 51 -0.549 -6.105 -7.605 432 H PHE 52 H PHE 52 -0.744 -5.271 -3.225 433 HA PHE 52 HA PHE 52 -3.420 -4.122 -3.048 434 HB2 PHE 52 2HB PHE 52 -0.954 -3.950 -1.502 435 HB3 PHE 52 1HB PHE 52 -1.715 -2.388 -1.730 436 HD1 PHE 52 2HD PHE 52 -2.257 -5.818 -0.466 437 HD2 PHE 52 1HD PHE 52 -3.614 -1.787 -0.500 438 HE1 PHE 52 2HE PHE 52 -3.820 -6.335 1.362 439 HE2 PHE 52 1HE PHE 52 -5.183 -2.294 1.330 440 HZ PHE 52 HZ PHE 52 -5.287 -4.572 2.263 441 H THR 53 H THR 53 -3.979 -2.174 -3.907 442 HA THR 53 HA THR 53 -2.002 -0.686 -5.455 443 HB THR 53 HB THR 53 -4.609 -1.555 -6.701 444 HG1 THR 53 1HG THR 53 -2.010 -2.634 -7.043 445 HG21 THR 53 3HG2 THR 53 -2.765 -1.044 -8.682 446 HG22 THR 53 1HG2 THR 53 -2.501 0.250 -7.514 447 HG23 THR 53 2HG2 THR 53 -4.106 -0.005 -8.201 448 H VAL 54 H VAL 54 -2.338 1.468 -5.550 449 HA VAL 54 HA VAL 54 -4.904 2.475 -4.515 450 HB VAL 54 HB VAL 54 -2.474 2.765 -3.187 451 HG11 VAL 54 1HG1 VAL 54 -1.970 5.171 -3.244 452 HG12 VAL 54 2HG1 VAL 54 -3.174 5.403 -4.511 453 HG13 VAL 54 3HG1 VAL 54 -1.729 4.452 -4.838 454 HG21 VAL 54 3HG2 VAL 54 -5.078 4.280 -3.037 455 HG22 VAL 54 1HG2 VAL 54 -3.794 4.470 -1.842 456 HG23 VAL 54 2HG2 VAL 54 -4.564 2.898 -2.070 457 H THR 55 H THR 55 -5.949 3.738 -5.892 458 HA THR 55 HA THR 55 -4.446 4.883 -8.141 459 HB THR 55 HB THR 55 -7.324 5.056 -8.416 460 HG1 THR 55 1HG THR 55 -6.280 2.438 -8.131 461 HG21 THR 55 3HG2 THR 55 -6.705 4.831 -10.519 462 HG22 THR 55 1HG2 THR 55 -6.253 3.157 -10.193 463 HG23 THR 55 2HG2 THR 55 -5.057 4.442 -10.019 464 H GLU 56 H GLU 56 -4.527 7.030 -8.632 465 HA GLU 56 HA GLU 56 -4.526 9.254 -8.109 466 HB2 GLU 56 2HB GLU 56 -6.726 10.237 -7.963 467 HB3 GLU 56 1HB GLU 56 -6.767 8.904 -9.108 468 HG2 GLU 56 2HG GLU 56 -7.964 7.531 -7.648 469 HG3 GLU 56 1HG GLU 56 -7.586 8.538 -6.252 Start of MODEL 20 1 H1 THR 1 1HT THR 1 1.173 -15.628 1.563 2 H2 THR 1 2HT THR 1 1.518 -15.216 -0.067 3 H3 THR 1 3HT THR 1 1.266 -13.983 1.097 4 HA THR 1 HA THR 1 3.204 -14.959 2.312 5 HB THR 1 HB THR 1 3.497 -16.214 -0.424 6 HG1 THR 1 1HG THR 1 2.495 -17.725 0.650 7 HG21 THR 1 3HG2 THR 1 5.677 -15.478 0.203 8 HG22 THR 1 1HG2 THR 1 5.578 -17.211 0.481 9 HG23 THR 1 2HG2 THR 1 5.469 -16.092 1.841 10 H THR 2 H THR 2 3.778 -14.445 -1.154 11 HA THR 2 HA THR 2 5.289 -12.042 -0.516 12 HB THR 2 HB THR 2 4.960 -12.917 -3.332 13 HG1 THR 2 1HG THR 2 6.534 -14.404 -1.514 14 HG21 THR 2 3HG2 THR 2 7.618 -12.671 -2.114 15 HG22 THR 2 1HG2 THR 2 6.653 -11.196 -2.141 16 HG23 THR 2 2HG2 THR 2 7.000 -12.047 -3.644 17 H TYR 3 H TYR 3 4.302 -10.143 -0.467 18 HA TYR 3 HA TYR 3 1.889 -9.749 -2.093 19 HB2 TYR 3 2HB TYR 3 2.908 -8.481 0.430 20 HB3 TYR 3 1HB TYR 3 1.749 -7.632 -0.589 21 HD1 TYR 3 2HD TYR 3 1.725 -11.291 -0.152 22 HD2 TYR 3 1HD TYR 3 -0.003 -7.578 0.997 23 HE1 TYR 3 2HE TYR 3 -0.140 -12.492 0.907 24 HE2 TYR 3 1HE TYR 3 -1.875 -8.774 2.059 25 HH TYR 3 HH TYR 3 -2.900 -11.435 1.525 26 H LYS 4 H LYS 4 1.601 -7.827 -3.302 27 HA LYS 4 HA LYS 4 4.054 -6.307 -3.873 28 HB2 LYS 4 2HB LYS 4 2.429 -7.935 -5.720 29 HB3 LYS 4 1HB LYS 4 2.837 -6.326 -6.309 30 HG2 LYS 4 2HG LYS 4 5.077 -6.778 -6.410 31 HG3 LYS 4 1HG LYS 4 4.998 -8.012 -5.151 32 HD2 LYS 4 2HD LYS 4 5.225 -9.394 -6.936 33 HD3 LYS 4 1HD LYS 4 3.473 -9.194 -7.003 34 HE2 LYS 4 2HE LYS 4 4.338 -8.879 -9.209 35 HE3 LYS 4 1HE LYS 4 3.817 -7.310 -8.596 36 HZ1 LYS 4 3HZ LYS 4 6.366 -7.310 -7.844 37 HZ2 LYS 4 1HZ LYS 4 5.836 -6.693 -9.327 38 HZ3 LYS 4 2HZ LYS 4 6.484 -8.252 -9.243 39 H LEU 5 H LEU 5 3.798 -4.151 -4.147 40 HA LEU 5 HA LEU 5 1.041 -3.099 -4.075 41 HB2 LEU 5 2HB LEU 5 2.457 -2.710 -1.965 42 HB3 LEU 5 1HB LEU 5 3.470 -1.697 -2.999 43 HG LEU 5 HG LEU 5 1.740 -0.122 -3.362 44 HD11 LEU 5 1HD1 LEU 5 -0.348 -0.828 -3.548 45 HD12 LEU 5 2HD1 LEU 5 -0.422 -0.861 -1.788 46 HD13 LEU 5 3HD1 LEU 5 0.008 -2.318 -2.680 47 HD21 LEU 5 3HD2 LEU 5 2.209 -0.965 -0.555 48 HD22 LEU 5 1HD2 LEU 5 1.005 0.284 -0.867 49 HD23 LEU 5 2HD2 LEU 5 2.675 0.517 -1.385 50 H ILE 6 H ILE 6 0.531 -1.364 -5.299 51 HA ILE 6 HA ILE 6 2.629 -0.135 -6.887 52 HB ILE 6 HB ILE 6 0.067 -1.098 -8.174 53 HG12 ILE 6 2HG1 ILE 6 1.509 -3.003 -7.536 54 HG13 ILE 6 1HG1 ILE 6 1.399 -2.813 -9.283 55 HG21 ILE 6 1HG2 ILE 6 1.701 -0.657 -10.220 56 HG22 ILE 6 2HG2 ILE 6 2.406 0.484 -9.074 57 HG23 ILE 6 3HG2 ILE 6 0.705 0.619 -9.520 58 HD11 ILE 6 3HD1 ILE 6 3.593 -2.574 -9.467 59 HD12 ILE 6 1HD1 ILE 6 3.704 -3.060 -7.775 60 HD13 ILE 6 2HD1 ILE 6 3.638 -1.350 -8.198 61 H LEU 7 H LEU 7 2.450 1.977 -6.504 62 HA LEU 7 HA LEU 7 -0.145 3.053 -5.710 63 HB2 LEU 7 2HB LEU 7 2.551 4.399 -5.625 64 HB3 LEU 7 1HB LEU 7 1.065 4.978 -4.886 65 HG LEU 7 HG LEU 7 1.103 2.881 -3.456 66 HD11 LEU 7 1HD1 LEU 7 3.687 2.603 -4.901 67 HD12 LEU 7 2HD1 LEU 7 2.541 1.368 -4.383 68 HD13 LEU 7 3HD1 LEU 7 3.615 2.125 -3.205 69 HD21 LEU 7 3HD2 LEU 7 3.256 4.972 -3.229 70 HD22 LEU 7 1HD2 LEU 7 2.887 3.811 -1.955 71 HD23 LEU 7 2HD2 LEU 7 1.664 4.971 -2.472 72 H ASN 8 H ASN 8 -1.287 4.450 -6.870 73 HA ASN 8 HA ASN 8 -0.042 5.687 -9.228 74 HB2 ASN 8 2HB ASN 8 -2.115 3.647 -9.223 75 HB3 ASN 8 1HB ASN 8 -2.648 5.112 -10.046 76 HD21 ASN 8 1HD2 ASN 8 -0.686 6.053 -11.412 77 HD22 ASN 8 2HD2 ASN 8 0.008 4.897 -12.487 78 H LEU 9 H LEU 9 -0.041 7.620 -7.983 79 HA LEU 9 HA LEU 9 -2.564 8.686 -7.050 80 HB2 LEU 9 2HB LEU 9 0.157 10.050 -7.221 81 HB3 LEU 9 1HB LEU 9 -1.257 10.730 -6.431 82 HG LEU 9 HG LEU 9 0.159 9.844 -4.737 83 HD11 LEU 9 1HD1 LEU 9 -2.469 8.981 -5.120 84 HD12 LEU 9 2HD1 LEU 9 -1.566 9.019 -3.608 85 HD13 LEU 9 3HD1 LEU 9 -1.580 7.554 -4.588 86 HD21 LEU 9 3HD2 LEU 9 0.052 7.067 -5.798 87 HD22 LEU 9 1HD2 LEU 9 1.261 7.841 -4.774 88 HD23 LEU 9 2HD2 LEU 9 1.211 8.196 -6.500 89 H LYS 10 H LYS 10 -0.157 10.251 -9.170 90 HA LYS 10 HA LYS 10 -2.404 11.287 -10.764 91 HB2 LYS 10 2HB LYS 10 0.158 12.454 -9.866 92 HB3 LYS 10 1HB LYS 10 -0.327 12.845 -11.507 93 HG2 LYS 10 2HG LYS 10 -2.605 13.441 -10.420 94 HG3 LYS 10 1HG LYS 10 -1.657 13.536 -8.935 95 HD2 LYS 10 2HD LYS 10 -0.477 15.362 -9.641 96 HD3 LYS 10 1HD LYS 10 -0.642 14.942 -11.350 97 HE2 LYS 10 2HE LYS 10 -2.959 15.847 -9.663 98 HE3 LYS 10 1HE LYS 10 -1.936 16.972 -10.549 99 HZ1 LYS 10 3HZ LYS 10 -4.129 15.895 -11.567 100 HZ2 LYS 10 1HZ LYS 10 -3.006 14.729 -12.061 101 HZ3 LYS 10 2HZ LYS 10 -2.802 16.346 -12.518 102 H GLN 11 H GLN 11 1.053 10.997 -11.504 103 HA GLN 11 HA GLN 11 0.341 9.311 -13.811 104 HB2 GLN 11 2HB GLN 11 1.857 11.844 -13.696 105 HB3 GLN 11 1HB GLN 11 2.571 10.575 -14.685 106 HG2 GLN 11 2HG GLN 11 1.146 10.991 -16.319 107 HG3 GLN 11 1HG GLN 11 -0.223 10.743 -15.246 108 HE21 GLN 11 1HE2 GLN 11 -1.167 12.514 -14.231 109 HE22 GLN 11 2HE2 GLN 11 -0.895 14.133 -14.769 110 H ALA 12 H ALA 12 2.907 10.285 -11.566 111 HA ALA 12 HA ALA 12 4.766 8.301 -12.275 112 HB1 ALA 12 1HB ALA 12 5.778 9.899 -11.012 113 HB2 ALA 12 2HB ALA 12 5.449 8.721 -9.742 114 HB3 ALA 12 3HB ALA 12 4.379 10.106 -9.953 115 H LYS 13 H LYS 13 5.386 6.398 -11.052 116 HA LYS 13 HA LYS 13 3.167 5.178 -9.564 117 HB2 LYS 13 2HB LYS 13 3.623 3.020 -10.679 118 HB3 LYS 13 1HB LYS 13 3.235 4.254 -11.875 119 HG2 LYS 13 2HG LYS 13 5.543 4.492 -12.454 120 HG3 LYS 13 1HG LYS 13 6.034 3.422 -11.145 121 HD2 LYS 13 2HD LYS 13 4.762 1.592 -12.225 122 HD3 LYS 13 1HD LYS 13 4.401 2.675 -13.571 123 HE2 LYS 13 2HE LYS 13 6.308 2.055 -14.520 124 HE3 LYS 13 1HE LYS 13 7.180 2.804 -13.185 125 HZ1 LYS 13 3HZ LYS 13 6.489 0.471 -12.095 126 HZ2 LYS 13 1HZ LYS 13 7.952 0.727 -12.908 127 HZ3 LYS 13 2HZ LYS 13 6.653 0.001 -13.712 128 H GLU 14 H GLU 14 3.760 3.629 -7.994 129 HA GLU 14 HA GLU 14 6.618 3.505 -7.329 130 HB2 GLU 14 2HB GLU 14 4.472 4.740 -5.764 131 HB3 GLU 14 1HB GLU 14 5.398 3.548 -4.849 132 HG2 GLU 14 2HG GLU 14 7.046 4.992 -4.574 133 HG3 GLU 14 1HG GLU 14 7.200 5.201 -6.318 134 H GLU 15 H GLU 15 7.195 1.708 -5.929 135 HA GLU 15 HA GLU 15 5.238 -0.492 -6.053 136 HB2 GLU 15 2HB GLU 15 8.211 -0.912 -6.243 137 HB3 GLU 15 1HB GLU 15 6.920 -2.026 -6.672 138 HG2 GLU 15 2HG GLU 15 6.490 0.170 -8.304 139 HG3 GLU 15 1HG GLU 15 8.243 -0.015 -8.271 140 H ALA 16 H ALA 16 5.631 -2.242 -4.497 141 HA ALA 16 HA ALA 16 7.293 -1.867 -2.229 142 HB1 ALA 16 1HB ALA 16 4.474 -1.837 -1.319 143 HB2 ALA 16 2HB ALA 16 5.026 -0.338 -2.068 144 HB3 ALA 16 3HB ALA 16 5.874 -0.985 -0.661 145 H ILE 17 H ILE 17 7.426 -3.756 -1.054 146 HA ILE 17 HA ILE 17 5.545 -5.910 -1.704 147 HB ILE 17 HB ILE 17 7.619 -7.456 -1.702 148 HG12 ILE 17 2HG1 ILE 17 8.866 -4.837 -2.569 149 HG13 ILE 17 1HG1 ILE 17 9.252 -5.723 -1.098 150 HG21 ILE 17 1HG2 ILE 17 6.016 -6.488 -3.648 151 HG22 ILE 17 2HG2 ILE 17 7.296 -7.668 -3.921 152 HG23 ILE 17 3HG2 ILE 17 7.593 -5.958 -4.235 153 HD11 ILE 17 3HD1 ILE 17 9.620 -7.576 -3.118 154 HD12 ILE 17 1HD1 ILE 17 10.875 -6.687 -2.254 155 HD13 ILE 17 2HD1 ILE 17 10.249 -6.069 -3.783 156 H LYS 18 H LYS 18 5.222 -7.424 -0.133 157 HA LYS 18 HA LYS 18 6.823 -7.275 2.299 158 HB2 LYS 18 2HB LYS 18 3.822 -7.185 2.503 159 HB3 LYS 18 1HB LYS 18 5.017 -6.816 3.743 160 HG2 LYS 18 2HG LYS 18 4.696 -5.184 1.261 161 HG3 LYS 18 1HG LYS 18 3.795 -4.853 2.733 162 HD2 LYS 18 2HD LYS 18 5.658 -4.104 3.853 163 HD3 LYS 18 1HD LYS 18 6.758 -5.118 2.919 164 HE2 LYS 18 2HE LYS 18 5.925 -3.532 0.957 165 HE3 LYS 18 1HE LYS 18 5.662 -2.429 2.308 166 HZ1 LYS 18 3HZ LYS 18 7.996 -2.819 2.961 167 HZ2 LYS 18 1HZ LYS 18 7.849 -2.093 1.440 168 HZ3 LYS 18 2HZ LYS 18 8.219 -3.740 1.560 169 H GLU 19 H GLU 19 7.351 -9.260 2.895 170 HA GLU 19 HA GLU 19 5.821 -11.522 1.877 171 HB2 GLU 19 2HB GLU 19 8.564 -11.122 2.965 172 HB3 GLU 19 1HB GLU 19 7.836 -12.716 3.147 173 HG2 GLU 19 2HG GLU 19 8.133 -13.220 1.000 174 HG3 GLU 19 1HG GLU 19 7.549 -11.647 0.459 175 H ALA 20 H ALA 20 4.190 -12.252 3.072 176 HA ALA 20 HA ALA 20 4.517 -13.203 5.694 177 HB1 ALA 20 1HB ALA 20 3.544 -11.639 7.070 178 HB2 ALA 20 2HB ALA 20 2.712 -10.832 5.740 179 HB3 ALA 20 3HB ALA 20 4.449 -10.616 5.954 180 H VAL 21 H VAL 21 2.249 -13.609 6.738 181 HA VAL 21 HA VAL 21 0.524 -14.640 4.597 182 HB VAL 21 HB VAL 21 1.401 -16.307 6.187 183 HG11 VAL 21 1HG1 VAL 21 1.300 -16.128 8.422 184 HG12 VAL 21 2HG1 VAL 21 -0.330 -15.466 8.396 185 HG13 VAL 21 3HG1 VAL 21 1.054 -14.411 8.102 186 HG21 VAL 21 3HG2 VAL 21 -1.086 -16.941 7.043 187 HG22 VAL 21 1HG2 VAL 21 -0.500 -17.227 5.407 188 HG23 VAL 21 2HG2 VAL 21 -1.462 -15.793 5.756 189 H ASP 22 H ASP 22 0.579 -12.600 7.422 190 HA ASP 22 HA ASP 22 -2.273 -12.235 7.510 191 HB2 ASP 22 2HB ASP 22 0.066 -11.069 8.983 192 HB3 ASP 22 1HB ASP 22 -1.510 -10.288 9.086 193 H ALA 23 H ALA 23 -2.837 -11.485 5.484 194 HA ALA 23 HA ALA 23 -1.710 -9.596 3.896 195 HB1 ALA 23 1HB ALA 23 -4.666 -9.481 4.264 196 HB2 ALA 23 2HB ALA 23 -3.921 -10.958 3.651 197 HB3 ALA 23 3HB ALA 23 -3.713 -9.439 2.781 198 H GLY 24 H GLY 24 -3.698 -8.984 6.754 199 HA2 GLY 24 2HA GLY 24 -4.037 -6.230 6.458 200 HA3 GLY 24 1HA GLY 24 -4.009 -7.078 7.996 201 H ILE 25 H ILE 25 -1.237 -8.049 7.400 202 HA ILE 25 HA ILE 25 0.148 -5.909 8.674 203 HB ILE 25 HB ILE 25 1.119 -8.523 7.516 204 HG12 ILE 25 2HG1 ILE 25 -0.189 -8.841 9.505 205 HG13 ILE 25 1HG1 ILE 25 1.502 -9.029 9.952 206 HG21 ILE 25 1HG2 ILE 25 3.092 -7.401 7.366 207 HG22 ILE 25 2HG2 ILE 25 3.160 -7.841 9.073 208 HG23 ILE 25 3HG2 ILE 25 2.645 -6.222 8.599 209 HD11 ILE 25 3HD1 ILE 25 1.142 -6.396 10.437 210 HD12 ILE 25 1HD1 ILE 25 0.946 -7.672 11.640 211 HD13 ILE 25 2HD1 ILE 25 -0.464 -7.030 10.797 212 H ALA 26 H ALA 26 0.076 -7.197 5.370 213 HA ALA 26 HA ALA 26 2.186 -5.584 4.415 214 HB1 ALA 26 1HB ALA 26 1.418 -7.595 3.229 215 HB2 ALA 26 2HB ALA 26 1.484 -6.165 2.192 216 HB3 ALA 26 3HB ALA 26 -0.070 -6.745 2.801 217 H GLU 27 H GLU 27 -1.353 -5.154 4.344 218 HA GLU 27 HA GLU 27 -1.362 -2.764 2.892 219 HB2 GLU 27 2HB GLU 27 -3.536 -2.258 3.941 220 HB3 GLU 27 1HB GLU 27 -3.465 -3.902 3.330 221 HG2 GLU 27 2HG GLU 27 -2.846 -4.579 5.685 222 HG3 GLU 27 1HG GLU 27 -3.328 -2.955 6.167 223 H LYS 28 H LYS 28 -0.637 -3.439 6.228 224 HA LYS 28 HA LYS 28 -0.751 -0.792 7.213 225 HB2 LYS 28 2HB LYS 28 0.928 -3.126 8.154 226 HB3 LYS 28 1HB LYS 28 0.667 -1.639 9.054 227 HG2 LYS 28 2HG LYS 28 -1.804 -2.943 8.221 228 HG3 LYS 28 1HG LYS 28 -0.807 -3.926 9.294 229 HD2 LYS 28 2HD LYS 28 -1.802 -2.776 10.944 230 HD3 LYS 28 1HD LYS 28 -0.690 -1.480 10.501 231 HE2 LYS 28 2HE LYS 28 -2.716 -0.382 10.467 232 HE3 LYS 28 1HE LYS 28 -2.539 -0.855 8.778 233 HZ1 LYS 28 3HZ LYS 28 -3.886 -2.768 10.501 234 HZ2 LYS 28 1HZ LYS 28 -4.238 -2.303 8.913 235 HZ3 LYS 28 2HZ LYS 28 -4.723 -1.328 10.207 236 H TYR 29 H TYR 29 1.793 -2.700 5.679 237 HA TYR 29 HA TYR 29 3.772 -0.614 5.955 238 HB2 TYR 29 2HB TYR 29 3.691 -3.354 4.824 239 HB3 TYR 29 1HB TYR 29 4.831 -2.228 4.082 240 HD1 TYR 29 2HD TYR 29 5.639 -0.534 6.228 241 HD2 TYR 29 1HD TYR 29 5.081 -4.748 6.238 242 HE1 TYR 29 2HE TYR 29 7.216 -0.706 8.060 243 HE2 TYR 29 1HE TYR 29 6.681 -4.951 8.093 244 HH TYR 29 HH TYR 29 7.693 -2.364 9.950 245 H PHE 30 H PHE 30 1.666 -1.886 3.568 246 HA PHE 30 HA PHE 30 2.635 -0.528 1.330 247 HB2 PHE 30 2HB PHE 30 -0.087 -1.622 2.091 248 HB3 PHE 30 1HB PHE 30 0.237 -0.947 0.495 249 HD1 PHE 30 2HD PHE 30 3.238 -2.289 0.863 250 HD2 PHE 30 1HD PHE 30 -0.744 -3.629 0.858 251 HE1 PHE 30 2HE PHE 30 3.994 -4.435 -0.021 252 HE2 PHE 30 1HE PHE 30 -0.027 -5.817 -0.013 253 HZ PHE 30 HZ PHE 30 2.364 -6.207 -0.452 254 H LYS 31 H LYS 31 0.273 0.180 3.826 255 HA LYS 31 HA LYS 31 -0.267 2.826 2.814 256 HB2 LYS 31 2HB LYS 31 -1.805 3.059 4.593 257 HB3 LYS 31 1HB LYS 31 -1.954 1.385 4.077 258 HG2 LYS 31 2HG LYS 31 -0.447 0.747 5.970 259 HG3 LYS 31 1HG LYS 31 -0.503 2.426 6.508 260 HD2 LYS 31 2HD LYS 31 -3.097 1.086 6.004 261 HD3 LYS 31 1HD LYS 31 -2.183 0.560 7.419 262 HE2 LYS 31 2HE LYS 31 -2.565 3.477 6.924 263 HE3 LYS 31 1HE LYS 31 -3.896 2.535 7.594 264 HZ1 LYS 31 3HZ LYS 31 -1.335 3.251 8.796 265 HZ2 LYS 31 1HZ LYS 31 -1.967 1.731 9.186 266 HZ3 LYS 31 2HZ LYS 31 -2.866 3.127 9.505 267 H LEU 32 H LEU 32 2.002 1.241 4.885 268 HA LEU 32 HA LEU 32 2.700 3.483 6.496 269 HB2 LEU 32 2HB LEU 32 3.356 1.180 7.085 270 HB3 LEU 32 1HB LEU 32 4.480 1.161 5.738 271 HG LEU 32 HG LEU 32 5.798 2.917 6.752 272 HD11 LEU 32 1HD1 LEU 32 3.434 3.158 8.490 273 HD12 LEU 32 2HD1 LEU 32 4.573 4.386 7.941 274 HD13 LEU 32 3HD1 LEU 32 4.994 3.328 9.287 275 HD21 LEU 32 3HD2 LEU 32 6.762 1.101 7.626 276 HD22 LEU 32 1HD2 LEU 32 5.228 0.392 8.115 277 HD23 LEU 32 2HD2 LEU 32 5.997 1.606 9.132 278 H ILE 33 H ILE 33 4.048 2.214 3.451 279 HA ILE 33 HA ILE 33 5.756 4.538 3.204 280 HB ILE 33 HB ILE 33 6.625 2.351 2.499 281 HG12 ILE 33 2HG1 ILE 33 7.740 3.112 0.592 282 HG13 ILE 33 1HG1 ILE 33 6.323 3.952 -0.023 283 HG21 ILE 33 1HG2 ILE 33 4.163 1.856 1.512 284 HG22 ILE 33 2HG2 ILE 33 5.608 0.955 1.058 285 HG23 ILE 33 3HG2 ILE 33 5.028 2.266 0.031 286 HD11 ILE 33 3HD1 ILE 33 8.374 5.245 1.010 287 HD12 ILE 33 1HD1 ILE 33 7.521 4.912 2.516 288 HD13 ILE 33 2HD1 ILE 33 6.722 5.820 1.232 289 H ALA 34 H ALA 34 2.777 3.249 1.801 290 HA ALA 34 HA ALA 34 2.574 5.041 -0.361 291 HB1 ALA 34 1HB ALA 34 1.136 3.129 -0.303 292 HB2 ALA 34 2HB ALA 34 0.115 4.565 -0.216 293 HB3 ALA 34 3HB ALA 34 0.450 3.631 1.240 294 H ASN 35 H ASN 35 1.691 5.272 3.033 295 HA ASN 35 HA ASN 35 0.396 7.819 2.783 296 HB2 ASN 35 2HB ASN 35 -0.152 6.266 4.623 297 HB3 ASN 35 1HB ASN 35 1.490 6.421 5.239 298 HD21 ASN 35 1HD2 ASN 35 0.451 7.100 7.210 299 HD22 ASN 35 2HD2 ASN 35 -0.047 8.744 7.390 300 H ALA 36 H ALA 36 3.615 6.637 3.477 301 HA ALA 36 HA ALA 36 4.664 9.204 4.236 302 HB1 ALA 36 1HB ALA 36 6.868 7.776 3.686 303 HB2 ALA 36 2HB ALA 36 5.720 6.465 3.931 304 HB3 ALA 36 3HB ALA 36 5.981 7.649 5.205 305 H LYS 37 H LYS 37 4.166 7.467 1.287 306 HA LYS 37 HA LYS 37 6.036 9.095 -0.218 307 HB2 LYS 37 2HB LYS 37 4.107 6.934 -1.080 308 HB3 LYS 37 1HB LYS 37 5.085 7.858 -2.207 309 HG2 LYS 37 2HG LYS 37 6.932 6.980 -0.374 310 HG3 LYS 37 1HG LYS 37 5.812 5.624 -0.509 311 HD2 LYS 37 2HD LYS 37 6.128 5.504 -2.874 312 HD3 LYS 37 1HD LYS 37 7.046 7.012 -2.882 313 HE2 LYS 37 2HE LYS 37 7.997 4.717 -1.224 314 HE3 LYS 37 1HE LYS 37 8.276 4.700 -2.965 315 HZ1 LYS 37 3HZ LYS 37 9.414 6.446 -0.915 316 HZ2 LYS 37 1HZ LYS 37 9.135 7.119 -2.442 317 HZ3 LYS 37 2HZ LYS 37 10.142 5.770 -2.285 318 H THR 38 H THR 38 2.532 8.468 -0.319 319 HA THR 38 HA THR 38 2.155 11.145 -1.495 320 HB THR 38 HB THR 38 1.518 9.373 -3.035 321 HG1 THR 38 1HG THR 38 0.195 11.243 -2.963 322 HG21 THR 38 3HG2 THR 38 1.041 7.543 -1.573 323 HG22 THR 38 1HG2 THR 38 -0.397 7.898 -2.529 324 HG23 THR 38 2HG2 THR 38 -0.308 8.417 -0.847 325 H VAL 39 H VAL 39 -0.698 11.131 -1.154 326 HA VAL 39 HA VAL 39 -0.798 11.609 1.741 327 HB VAL 39 HB VAL 39 -1.247 13.570 0.339 328 HG11 VAL 39 1HG1 VAL 39 -2.252 12.268 -1.558 329 HG12 VAL 39 2HG1 VAL 39 -3.122 13.735 -1.110 330 HG13 VAL 39 3HG1 VAL 39 -3.732 12.159 -0.606 331 HG21 VAL 39 3HG2 VAL 39 -2.972 14.382 1.632 332 HG22 VAL 39 1HG2 VAL 39 -2.449 12.993 2.584 333 HG23 VAL 39 2HG2 VAL 39 -3.881 12.872 1.561 334 H GLU 40 H GLU 40 -2.873 10.340 -0.896 335 HA GLU 40 HA GLU 40 -3.679 8.024 0.253 336 HB2 GLU 40 2HB GLU 40 -6.016 8.752 1.121 337 HB3 GLU 40 1HB GLU 40 -4.617 8.921 2.180 338 HG2 GLU 40 2HG GLU 40 -4.731 11.166 2.194 339 HG3 GLU 40 1HG GLU 40 -5.229 11.260 0.504 340 H GLY 41 H GLY 41 -5.275 6.964 -0.885 341 HA2 GLY 41 2HA GLY 41 -6.872 8.383 -2.861 342 HA3 GLY 41 1HA GLY 41 -5.626 7.330 -3.531 343 H VAL 42 H VAL 42 -7.506 6.189 -4.499 344 HA VAL 42 HA VAL 42 -9.260 4.757 -2.716 345 HB VAL 42 HB VAL 42 -10.079 3.609 -4.749 346 HG11 VAL 42 1HG1 VAL 42 -9.991 6.496 -5.462 347 HG12 VAL 42 2HG1 VAL 42 -10.704 6.023 -3.920 348 HG13 VAL 42 3HG1 VAL 42 -11.357 5.381 -5.427 349 HG21 VAL 42 3HG2 VAL 42 -9.071 5.033 -6.862 350 HG22 VAL 42 1HG2 VAL 42 -8.605 3.392 -6.417 351 HG23 VAL 42 2HG2 VAL 42 -7.642 4.761 -5.866 352 H TRP 43 H TRP 43 -8.355 3.266 -1.483 353 HA TRP 43 HA TRP 43 -6.143 1.673 -2.356 354 HB2 TRP 43 2HB TRP 43 -7.603 2.275 0.125 355 HB3 TRP 43 1HB TRP 43 -6.880 0.684 0.051 356 HD1 TRP 43 HD TRP 43 -5.962 4.409 0.020 357 HE1 TRP 43 1HE TRP 43 -3.486 4.673 0.639 358 HE3 TRP 43 3HE TRP 43 -4.568 -0.541 0.109 359 HZ2 TRP 43 2HZ TRP 43 -1.259 3.022 1.107 360 HZ3 TRP 43 3HZ TRP 43 -2.232 -1.058 0.657 361 HH2 TRP 43 HH TRP 43 -0.631 0.674 1.134 362 H THR 44 H THR 44 -6.162 -0.369 -3.051 363 HA THR 44 HA THR 44 -8.485 -2.072 -2.627 364 HB THR 44 HB THR 44 -8.765 -2.612 -4.963 365 HG1 THR 44 1HG THR 44 -7.103 -2.345 -6.192 366 HG21 THR 44 3HG2 THR 44 -9.453 -0.460 -5.942 367 HG22 THR 44 1HG2 THR 44 -8.688 0.371 -4.587 368 HG23 THR 44 2HG2 THR 44 -10.060 -0.701 -4.303 369 H TYR 45 H TYR 45 -8.042 -4.313 -2.927 370 HA TYR 45 HA TYR 45 -5.243 -5.017 -3.432 371 HB2 TYR 45 2HB TYR 45 -5.136 -4.966 -1.099 372 HB3 TYR 45 1HB TYR 45 -6.774 -5.592 -0.905 373 HD1 TYR 45 2HD TYR 45 -3.342 -6.554 -1.974 374 HD2 TYR 45 1HD TYR 45 -7.129 -7.881 -0.561 375 HE1 TYR 45 2HE TYR 45 -2.425 -8.813 -1.653 376 HE2 TYR 45 1HE TYR 45 -6.222 -10.143 -0.234 377 HH TYR 45 HH TYR 45 -2.865 -10.817 -0.391 378 H LYS 46 H LYS 46 -4.905 -7.007 -4.332 379 HA LYS 46 HA LYS 46 -7.330 -8.461 -5.145 380 HB2 LYS 46 2HB LYS 46 -4.612 -8.555 -6.462 381 HB3 LYS 46 1HB LYS 46 -6.124 -9.211 -7.088 382 HG2 LYS 46 2HG LYS 46 -7.011 -7.004 -7.408 383 HG3 LYS 46 1HG LYS 46 -5.609 -6.281 -6.617 384 HD2 LYS 46 2HD LYS 46 -4.569 -7.896 -8.653 385 HD3 LYS 46 1HD LYS 46 -5.960 -7.077 -9.368 386 HE2 LYS 46 2HE LYS 46 -4.211 -5.598 -9.762 387 HE3 LYS 46 1HE LYS 46 -4.972 -4.946 -8.310 388 HZ1 LYS 46 3HZ LYS 46 -3.272 -6.058 -6.982 389 HZ2 LYS 46 1HZ LYS 46 -2.578 -4.978 -8.085 390 HZ3 LYS 46 2HZ LYS 46 -2.534 -6.642 -8.387 391 H ASP 47 H ASP 47 -7.548 -10.591 -4.694 392 HA ASP 47 HA ASP 47 -5.576 -11.764 -2.894 393 HB2 ASP 47 2HB ASP 47 -7.955 -11.824 -2.253 394 HB3 ASP 47 1HB ASP 47 -8.318 -12.762 -3.701 395 H GLU 48 H GLU 48 -6.829 -12.145 -6.114 396 HA GLU 48 HA GLU 48 -6.143 -14.738 -6.738 397 HB2 GLU 48 2HB GLU 48 -7.233 -12.835 -8.169 398 HB3 GLU 48 1HB GLU 48 -5.584 -12.548 -8.705 399 HG2 GLU 48 2HG GLU 48 -6.084 -14.042 -10.289 400 HG3 GLU 48 1HG GLU 48 -5.766 -15.225 -9.024 401 H ILE 49 H ILE 49 -4.042 -11.941 -6.421 402 HA ILE 49 HA ILE 49 -1.738 -13.735 -6.593 403 HB ILE 49 HB ILE 49 -0.455 -12.118 -7.903 404 HG12 ILE 49 2HG1 ILE 49 -1.798 -10.118 -7.202 405 HG13 ILE 49 1HG1 ILE 49 -1.471 -10.196 -8.931 406 HG21 ILE 49 1HG2 ILE 49 -1.701 -13.972 -8.981 407 HG22 ILE 49 2HG2 ILE 49 -1.429 -12.586 -10.039 408 HG23 ILE 49 3HG2 ILE 49 -3.015 -12.842 -9.312 409 HD11 ILE 49 3HD1 ILE 49 -3.637 -9.863 -9.238 410 HD12 ILE 49 1HD1 ILE 49 -3.988 -10.123 -7.530 411 HD13 ILE 49 2HD1 ILE 49 -3.899 -11.498 -8.630 412 H LYS 50 H LYS 50 -3.329 -11.950 -4.569 413 HA LYS 50 HA LYS 50 -2.886 -10.613 -2.774 414 HB2 LYS 50 2HB LYS 50 -0.170 -11.913 -2.807 415 HB3 LYS 50 1HB LYS 50 -1.066 -11.328 -1.415 416 HG2 LYS 50 2HG LYS 50 -2.768 -13.079 -1.831 417 HG3 LYS 50 1HG LYS 50 -1.731 -13.719 -3.115 418 HD2 LYS 50 2HD LYS 50 0.009 -13.525 -1.012 419 HD3 LYS 50 1HD LYS 50 -1.496 -13.971 -0.207 420 HE2 LYS 50 2HE LYS 50 -1.489 -15.648 -2.353 421 HE3 LYS 50 1HE LYS 50 0.231 -15.533 -1.981 422 HZ1 LYS 50 3HZ LYS 50 -1.830 -16.167 0.054 423 HZ2 LYS 50 1HZ LYS 50 -0.148 -16.303 0.209 424 HZ3 LYS 50 2HZ LYS 50 -0.989 -17.350 -0.813 425 H THR 51 H THR 51 -2.875 -8.722 -4.227 426 HA THR 51 HA THR 51 -0.345 -7.299 -3.964 427 HB THR 51 HB THR 51 -1.835 -7.498 -6.587 428 HG1 THR 51 1HG THR 51 0.013 -8.587 -7.282 429 HG21 THR 51 3HG2 THR 51 -0.642 -5.298 -6.029 430 HG22 THR 51 1HG2 THR 51 -0.286 -6.086 -7.565 431 HG23 THR 51 2HG2 THR 51 0.844 -6.229 -6.219 432 H PHE 52 H PHE 52 -0.656 -5.334 -3.194 433 HA PHE 52 HA PHE 52 -3.367 -4.260 -3.120 434 HB2 PHE 52 2HB PHE 52 -0.995 -4.066 -1.456 435 HB3 PHE 52 1HB PHE 52 -1.729 -2.500 -1.726 436 HD1 PHE 52 1HD PHE 52 -2.123 -5.797 -0.210 437 HD2 PHE 52 2HD PHE 52 -3.934 -2.007 -0.884 438 HE1 PHE 52 1HE PHE 52 -3.792 -6.288 1.533 439 HE2 PHE 52 2HE PHE 52 -5.607 -2.488 0.857 440 HZ PHE 52 HZ PHE 52 -5.536 -4.633 2.068 441 H THR 53 H THR 53 -3.943 -2.312 -3.974 442 HA THR 53 HA THR 53 -1.948 -0.763 -5.441 443 HB THR 53 HB THR 53 -4.471 -1.803 -6.737 444 HG1 THR 53 1HG THR 53 -2.994 -3.447 -6.660 445 HG21 THR 53 3HG2 THR 53 -3.590 -0.894 -8.800 446 HG22 THR 53 1HG2 THR 53 -2.205 -0.230 -7.935 447 HG23 THR 53 2HG2 THR 53 -3.825 0.382 -7.606 448 H VAL 54 H VAL 54 -2.372 1.388 -5.620 449 HA VAL 54 HA VAL 54 -4.962 2.325 -4.572 450 HB VAL 54 HB VAL 54 -2.513 2.739 -3.297 451 HG11 VAL 54 1HG1 VAL 54 -3.384 5.329 -4.616 452 HG12 VAL 54 2HG1 VAL 54 -1.914 4.439 -5.010 453 HG13 VAL 54 3HG1 VAL 54 -2.112 5.154 -3.406 454 HG21 VAL 54 3HG2 VAL 54 -5.164 4.175 -3.097 455 HG22 VAL 54 1HG2 VAL 54 -3.867 4.361 -1.915 456 HG23 VAL 54 2HG2 VAL 54 -4.622 2.783 -2.163 457 H THR 55 H THR 55 -5.860 4.146 -5.539 458 HA THR 55 HA THR 55 -4.462 5.174 -7.910 459 HB THR 55 HB THR 55 -7.402 4.966 -8.116 460 HG1 THR 55 1HG THR 55 -6.867 2.934 -7.227 461 HG21 THR 55 3HG2 THR 55 -6.927 4.328 -10.394 462 HG22 THR 55 1HG2 THR 55 -5.203 4.238 -10.033 463 HG23 THR 55 2HG2 THR 55 -6.037 5.791 -9.971 464 H GLU 56 H GLU 56 -4.970 7.307 -8.519 465 HA GLU 56 HA GLU 56 -5.196 9.517 -7.986 466 HB2 GLU 56 2HB GLU 56 -7.475 10.211 -7.588 467 HB3 GLU 56 1HB GLU 56 -7.466 8.883 -8.739 468 HG2 GLU 56 2HG GLU 56 -8.356 7.384 -7.210 469 HG3 GLU 56 1HG GLU 56 -7.889 8.368 -5.825
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