NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10176 | 1pc0 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 17 HN GLY 17 -6.568 6.067 10.206 2 1HA GLY 17 HA2 GLY 17 -7.620 7.687 8.057 3 2HA GLY 17 HA1 GLY 17 -6.061 8.229 8.664 4 H LEU 18 HN LEU 18 -7.031 4.876 8.578 5 HA LEU 18 HA LEU 18 -4.695 4.111 7.148 6 1HB LEU 18 HB2 LEU 18 -7.033 2.769 8.356 7 2HB LEU 18 HB1 LEU 18 -6.258 1.904 7.044 8 HG LEU 18 HG LEU 18 -4.854 2.875 9.530 9 1HD1 LEU 18 HD11 LEU 18 -6.624 0.814 9.411 10 2HD1 LEU 18 HD12 LEU 18 -5.275 0.925 10.543 11 3HD1 LEU 18 HD13 LEU 18 -5.101 -0.001 9.053 12 1HD2 LEU 18 HD21 LEU 18 -2.918 2.235 8.619 13 2HD2 LEU 18 HD22 LEU 18 -3.771 2.300 7.075 14 3HD2 LEU 18 HD23 LEU 18 -3.621 0.770 7.937 15 H MET 19 HN MET 19 -5.027 5.525 5.242 16 HA MET 19 HA MET 19 -7.015 4.427 3.337 17 1HB MET 19 HB2 MET 19 -6.716 6.982 3.838 18 2HB MET 19 HB1 MET 19 -5.302 6.841 2.801 19 1HG MET 19 HG2 MET 19 -6.564 6.375 0.921 20 2HG MET 19 HG1 MET 19 -7.960 5.857 1.863 21 1HE MET 19 HE1 MET 19 -8.745 8.100 -0.550 22 2HE MET 19 HE2 MET 19 -6.992 7.909 -0.534 23 3HE MET 19 HE3 MET 19 -7.707 9.509 -0.341 24 H VAL 20 HN VAL 20 -6.269 3.024 1.823 25 HA VAL 20 HA VAL 20 -3.398 3.159 1.161 26 HB VAL 20 HB VAL 20 -3.690 1.467 2.864 27 1HG1 VAL 20 HG11 VAL 20 -5.243 -0.283 2.773 28 2HG1 VAL 20 HG12 VAL 20 -5.603 0.003 1.074 29 3HG1 VAL 20 HG13 VAL 20 -6.146 1.150 2.296 30 1HG2 VAL 20 HG21 VAL 20 -3.295 -0.659 1.254 31 2HG2 VAL 20 HG22 VAL 20 -2.053 0.526 1.644 32 3HG2 VAL 20 HG23 VAL 20 -2.949 0.653 0.134 33 H GLU 21 HN GLU 21 -2.804 2.253 -0.870 34 HA GLU 21 HA GLU 21 -5.083 1.786 -2.705 35 1HB GLU 21 HB2 GLU 21 -3.764 3.623 -3.567 36 2HB GLU 21 HB1 GLU 21 -2.262 2.760 -3.274 37 1HG GLU 21 HG2 GLU 21 -4.250 1.536 -5.108 38 2HG GLU 21 HG1 GLU 21 -3.344 2.937 -5.674 39 H VAL 22 HN VAL 22 -5.296 -0.392 -3.184 40 HA VAL 22 HA VAL 22 -2.844 -1.983 -2.696 41 HB VAL 22 HB VAL 22 -5.636 -2.865 -2.032 42 1HG1 VAL 22 HG11 VAL 22 -3.405 -4.090 -0.616 43 2HG1 VAL 22 HG12 VAL 22 -3.326 -4.344 -2.357 44 3HG1 VAL 22 HG13 VAL 22 -4.759 -4.840 -1.460 45 1HG2 VAL 22 HG21 VAL 22 -3.842 -1.085 -0.620 46 2HG2 VAL 22 HG22 VAL 22 -4.226 -2.516 0.334 47 3HG2 VAL 22 HG23 VAL 22 -5.524 -1.492 -0.282 48 H VAL 23 HN VAL 23 -2.294 -3.599 -3.942 49 HA VAL 23 HA VAL 23 -4.232 -4.515 -5.951 50 HB VAL 23 HB VAL 23 -2.164 -5.076 -7.375 51 1HG1 VAL 23 HG11 VAL 23 -2.715 -2.135 -7.088 52 2HG1 VAL 23 HG12 VAL 23 -3.874 -3.260 -7.795 53 3HG1 VAL 23 HG13 VAL 23 -2.296 -3.032 -8.547 54 1HG2 VAL 23 HG21 VAL 23 -0.970 -3.101 -5.445 55 2HG2 VAL 23 HG22 VAL 23 -0.287 -3.415 -7.042 56 3HG2 VAL 23 HG23 VAL 23 -0.388 -4.715 -5.855 57 H GLU 24 HN GLU 24 -4.720 -6.452 -5.482 58 HA GLU 24 HA GLU 24 -2.793 -8.456 -4.668 59 1HB GLU 24 HB2 GLU 24 -5.274 -7.763 -3.092 60 2HB GLU 24 HB1 GLU 24 -4.340 -9.232 -2.853 61 1HG GLU 24 HG2 GLU 24 -2.468 -7.188 -2.704 62 2HG GLU 24 HG1 GLU 24 -3.881 -6.564 -1.858 63 H SER 25 HN SER 25 -4.044 -10.613 -4.348 64 HA SER 25 HA SER 25 -5.536 -12.205 -5.051 65 1HB SER 25 HB2 SER 25 -6.568 -10.254 -7.107 66 2HB SER 25 HB1 SER 25 -7.327 -11.754 -6.582 67 HG SER 25 HG SER 25 -7.322 -9.264 -5.404 68 HA PRO 26 HA PRO 26 -2.699 -13.951 -7.954 69 1HB PRO 26 HB2 PRO 26 -4.951 -15.819 -8.505 70 2HB PRO 26 HB1 PRO 26 -3.277 -16.171 -8.067 71 1HG PRO 26 HG2 PRO 26 -5.230 -16.440 -6.281 72 2HG PRO 26 HG1 PRO 26 -3.648 -15.792 -5.810 73 1HD PRO 26 HD2 PRO 26 -6.227 -14.357 -6.264 74 2HD PRO 26 HD1 PRO 26 -4.958 -14.048 -5.063 75 H ASN 27 HN ASN 27 -2.960 -12.052 -9.355 76 HA ASN 27 HA ASN 27 -3.562 -12.723 -11.981 77 1HB ASN 27 HB2 ASN 27 -5.924 -12.329 -10.662 78 2HB ASN 27 HB1 ASN 27 -5.612 -10.720 -11.306 79 1HD2 ASN 27 HD21 ASN 27 -7.367 -10.880 -12.705 80 2HD2 ASN 27 HD22 ASN 27 -7.315 -11.856 -14.130 81 H HIS 28 HN HIS 28 -3.273 -10.935 -13.469 82 HA HIS 28 HA HIS 28 -1.230 -9.197 -12.733 83 1HB HIS 28 HB2 HIS 28 -3.189 -9.016 -15.029 84 2HB HIS 28 HB1 HIS 28 -1.759 -8.001 -14.873 85 HD1 HIS 28 HD1 HIS 28 -1.705 -9.540 -17.339 86 HD2 HIS 28 HD2 HIS 28 -0.451 -11.229 -13.756 87 HE1 HIS 28 HE1 HIS 28 -0.219 -11.463 -17.987 88 HE2 HIS 28 HE2 HIS 28 0.600 -12.415 -15.801 89 H SER 29 HN SER 29 -4.646 -8.896 -12.331 90 HA SER 29 HA SER 29 -4.449 -6.682 -10.628 91 1HB SER 29 HB2 SER 29 -4.915 -6.075 -13.502 92 2HB SER 29 HB1 SER 29 -5.893 -5.194 -12.327 93 HG SER 29 HG SER 29 -3.066 -5.383 -12.207 94 H GLU 30 HN GLU 30 -5.700 -8.942 -10.143 95 HA GLU 30 HA GLU 30 -8.400 -9.088 -10.979 96 1HB GLU 30 HB2 GLU 30 -7.398 -11.077 -10.160 97 2HB GLU 30 HB1 GLU 30 -6.918 -10.308 -8.661 98 1HG GLU 30 HG2 GLU 30 -8.782 -11.004 -7.698 99 2HG GLU 30 HG1 GLU 30 -9.738 -10.106 -8.875 100 H VAL 31 HN VAL 31 -7.221 -8.334 -7.645 101 HA VAL 31 HA VAL 31 -9.488 -6.422 -7.478 102 HB VAL 31 HB VAL 31 -8.201 -7.632 -5.067 103 1HG1 VAL 31 HG11 VAL 31 -10.748 -6.190 -5.649 104 2HG1 VAL 31 HG12 VAL 31 -9.508 -5.833 -4.447 105 3HG1 VAL 31 HG13 VAL 31 -10.590 -7.204 -4.214 106 1HG2 VAL 31 HG21 VAL 31 -9.470 -9.532 -5.067 107 2HG2 VAL 31 HG22 VAL 31 -9.256 -9.337 -6.805 108 3HG2 VAL 31 HG23 VAL 31 -10.751 -8.808 -6.035 109 H GLY 32 HN GLY 32 -8.240 -4.675 -8.183 110 1HA GLY 32 HA2 GLY 32 -6.314 -3.741 -6.214 111 2HA GLY 32 HA1 GLY 32 -5.899 -3.651 -7.930 112 H ILE 33 HN ILE 33 -7.214 -2.012 -5.445 113 HA ILE 33 HA ILE 33 -8.083 0.028 -7.209 114 HB ILE 33 HB ILE 33 -10.013 -1.855 -6.198 115 1HG1 ILE 33 HG12 ILE 33 -9.536 -0.868 -8.474 116 2HG1 ILE 33 HG11 ILE 33 -11.226 -1.090 -8.038 117 1HG2 ILE 33 HG21 ILE 33 -11.714 -0.497 -5.319 118 2HG2 ILE 33 HG22 ILE 33 -10.848 0.985 -5.693 119 3HG2 ILE 33 HG23 ILE 33 -10.266 -0.080 -4.414 120 1HD1 ILE 33 HD11 ILE 33 -11.356 1.301 -7.466 121 2HD1 ILE 33 HD12 ILE 33 -10.918 1.031 -9.152 122 3HD1 ILE 33 HD13 ILE 33 -9.682 1.496 -7.984 123 H LYS 34 HN LYS 34 -9.318 1.672 -5.820 124 HA LYS 34 HA LYS 34 -7.446 2.473 -3.754 125 1HB LYS 34 HB2 LYS 34 -9.618 3.746 -5.258 126 2HB LYS 34 HB1 LYS 34 -9.719 4.110 -3.541 127 1HG LYS 34 HG2 LYS 34 -7.301 4.812 -3.669 128 2HG LYS 34 HG1 LYS 34 -7.453 4.695 -5.423 129 1HD LYS 34 HD2 LYS 34 -9.452 6.256 -5.193 130 2HD LYS 34 HD1 LYS 34 -8.899 6.543 -3.541 131 1HE LYS 34 HE2 LYS 34 -6.753 7.323 -4.382 132 2HE LYS 34 HE1 LYS 34 -7.266 6.994 -6.037 133 1HZ LYS 34 HZ1 LYS 34 -9.183 8.590 -5.465 134 2HZ LYS 34 HZ2 LYS 34 -7.660 9.241 -5.805 135 3HZ LYS 34 HZ3 LYS 34 -8.182 9.109 -4.202 136 H GLY 35 HN GLY 35 -7.667 1.678 -1.726 137 1HA GLY 35 HA2 GLY 35 -10.337 0.868 -0.820 138 2HA GLY 35 HA1 GLY 35 -9.039 -0.307 -0.837 139 H GLU 36 HN GLU 36 -10.177 -0.185 1.385 140 HA GLU 36 HA GLU 36 -8.673 1.706 3.106 141 1HB GLU 36 HB2 GLU 36 -11.074 0.066 3.911 142 2HB GLU 36 HB1 GLU 36 -10.361 1.419 4.777 143 1HG GLU 36 HG2 GLU 36 -11.579 2.891 3.654 144 2HG GLU 36 HG1 GLU 36 -11.143 2.173 2.102 145 H VAL 37 HN VAL 37 -7.587 0.959 4.982 146 HA VAL 37 HA VAL 37 -7.093 -1.952 4.948 147 HB VAL 37 HB VAL 37 -5.029 -1.370 4.361 148 1HG1 VAL 37 HG11 VAL 37 -4.952 1.183 5.928 149 2HG1 VAL 37 HG12 VAL 37 -5.714 1.114 4.340 150 3HG1 VAL 37 HG13 VAL 37 -4.004 0.723 4.518 151 1HG2 VAL 37 HG21 VAL 37 -3.493 -1.323 6.199 152 2HG2 VAL 37 HG22 VAL 37 -4.860 -2.359 6.617 153 3HG2 VAL 37 HG23 VAL 37 -4.751 -0.729 7.284 154 H VAL 38 HN VAL 38 -6.808 -3.052 6.648 155 HA VAL 38 HA VAL 38 -7.346 -1.857 9.273 156 HB VAL 38 HB VAL 38 -8.514 -4.487 8.347 157 1HG1 VAL 38 HG11 VAL 38 -8.407 -4.668 10.632 158 2HG1 VAL 38 HG12 VAL 38 -9.983 -3.901 10.439 159 3HG1 VAL 38 HG13 VAL 38 -8.579 -2.932 10.889 160 1HG2 VAL 38 HG21 VAL 38 -10.593 -3.453 8.010 161 2HG2 VAL 38 HG22 VAL 38 -9.432 -2.387 7.218 162 3HG2 VAL 38 HG23 VAL 38 -10.079 -1.964 8.804 163 H ASP 39 HN ASP 39 -6.138 -2.660 10.887 164 HA ASP 39 HA ASP 39 -4.561 -3.845 12.025 165 1HB ASP 39 HB2 ASP 39 -4.736 -5.918 9.832 166 2HB ASP 39 HB1 ASP 39 -4.114 -6.142 11.464 167 H GLU 40 HN GLU 40 -3.280 -1.976 11.267 168 HA GLU 40 HA GLU 40 -1.420 -2.474 9.098 169 1HB GLU 40 HB2 GLU 40 -2.530 -0.194 9.946 170 2HB GLU 40 HB1 GLU 40 -1.074 -0.156 10.932 171 1HG GLU 40 HG2 GLU 40 -0.616 -0.776 8.106 172 2HG GLU 40 HG1 GLU 40 -1.278 0.829 8.415 173 H THR 41 HN THR 41 -1.332 -2.082 12.617 174 HA THR 41 HA THR 41 1.322 -3.361 12.607 175 HB THR 41 HB THR 41 1.401 -1.981 14.921 176 HG1 THR 41 HG1 THR 41 0.017 -0.276 13.132 177 1HG2 THR 41 HG21 THR 41 2.628 -1.739 12.403 178 2HG2 THR 41 HG22 THR 41 3.184 -1.112 13.955 179 3HG2 THR 41 HG23 THR 41 2.168 -0.114 12.915 180 H GLN 42 HN GLN 42 -1.842 -3.784 13.423 181 HA GLN 42 HA GLN 42 -1.704 -4.835 16.035 182 1HB GLN 42 HB2 GLN 42 -3.767 -4.198 14.577 183 2HB GLN 42 HB1 GLN 42 -3.649 -5.850 13.987 184 1HG GLN 42 HG2 GLN 42 -4.102 -6.760 16.092 185 2HG GLN 42 HG1 GLN 42 -3.775 -5.235 16.915 186 1HE2 GLN 42 HE21 GLN 42 -6.158 -7.262 16.035 187 2HE2 GLN 42 HE22 GLN 42 -7.482 -6.157 15.937 188 H ASN 43 HN ASN 43 -2.183 -6.702 13.029 189 HA ASN 43 HA ASN 43 -0.146 -8.600 13.866 190 1HB ASN 43 HB2 ASN 43 -3.062 -9.181 13.935 191 2HB ASN 43 HB1 ASN 43 -2.011 -10.440 13.291 192 1HD2 ASN 43 HD21 ASN 43 -0.745 -11.593 14.649 193 2HD2 ASN 43 HD22 ASN 43 -0.745 -11.404 16.366 194 H THR 44 HN THR 44 -2.761 -9.409 11.669 195 HA THR 44 HA THR 44 -0.841 -9.480 9.471 196 HB THR 44 HB THR 44 -2.215 -11.470 9.791 197 HG1 THR 44 HG1 THR 44 -3.014 -11.618 7.697 198 1HG2 THR 44 HG21 THR 44 -4.751 -10.575 8.881 199 2HG2 THR 44 HG22 THR 44 -4.305 -9.649 10.315 200 3HG2 THR 44 HG23 THR 44 -4.339 -11.412 10.379 201 H LEU 45 HN LEU 45 -1.959 -8.829 7.235 202 HA LEU 45 HA LEU 45 -3.269 -6.225 7.731 203 1HB LEU 45 HB2 LEU 45 -0.906 -6.915 6.202 204 2HB LEU 45 HB1 LEU 45 -2.096 -6.108 5.198 205 1HD1 LEU 45 HD11 LEU 45 0.437 -3.662 6.628 206 2HD1 LEU 45 HD12 LEU 45 -0.345 -3.986 5.081 207 3HD1 LEU 45 HD13 LEU 45 0.607 -5.244 5.868 208 1HD2 LEU 45 HD21 LEU 45 -2.329 -3.329 5.729 209 2HD2 LEU 45 HD22 LEU 45 -2.363 -3.184 7.487 210 3HD2 LEU 45 HD23 LEU 45 -3.379 -4.380 6.680 211 H LYS 46 HN LYS 46 -5.248 -6.015 6.926 212 HA LYS 46 HA LYS 46 -6.010 -7.742 4.649 213 1HB LYS 46 HB2 LYS 46 -7.979 -6.728 6.687 214 2HB LYS 46 HB1 LYS 46 -8.164 -8.057 5.554 215 1HG LYS 46 HG2 LYS 46 -6.946 -9.516 6.860 216 2HG LYS 46 HG1 LYS 46 -6.090 -8.219 7.693 217 1HD LYS 46 HD2 LYS 46 -7.727 -9.317 9.155 218 2HD LYS 46 HD1 LYS 46 -8.123 -7.619 8.888 219 1HE LYS 46 HE2 LYS 46 -9.338 -9.415 6.936 220 2HE LYS 46 HE1 LYS 46 -9.847 -9.737 8.593 221 1HZ LYS 46 HZ1 LYS 46 -10.476 -7.411 8.809 222 2HZ LYS 46 HZ2 LYS 46 -11.298 -8.136 7.519 223 3HZ LYS 46 HZ3 LYS 46 -9.989 -7.108 7.215 224 H ILE 47 HN ILE 47 -6.570 -6.606 2.856 225 HA ILE 47 HA ILE 47 -7.591 -3.870 3.297 226 HB ILE 47 HB ILE 47 -6.026 -4.199 0.833 227 1HG1 ILE 47 HG12 ILE 47 -3.890 -3.705 2.241 228 2HG1 ILE 47 HG11 ILE 47 -4.770 -4.482 3.551 229 1HG2 ILE 47 HG21 ILE 47 -6.533 -2.151 2.928 230 2HG2 ILE 47 HG22 ILE 47 -6.706 -2.043 1.176 231 3HG2 ILE 47 HG23 ILE 47 -5.105 -1.988 1.910 232 1HD1 ILE 47 HD11 ILE 47 -5.083 -6.291 1.557 233 2HD1 ILE 47 HD12 ILE 47 -3.811 -6.344 2.778 234 3HD1 ILE 47 HD13 ILE 47 -3.486 -5.638 1.193 235 H MET 48 HN MET 48 -9.157 -3.122 1.888 236 HA MET 48 HA MET 48 -10.082 -5.106 -0.113 237 1HB MET 48 HB2 MET 48 -11.632 -5.136 1.741 238 2HB MET 48 HB1 MET 48 -11.741 -3.383 1.743 239 1HG MET 48 HG2 MET 48 -12.521 -3.969 -0.797 240 2HG MET 48 HG1 MET 48 -13.132 -5.360 0.093 241 1HE MET 48 HE1 MET 48 -13.917 -4.643 2.723 242 2HE MET 48 HE2 MET 48 -15.306 -5.194 1.787 243 3HE MET 48 HE3 MET 48 -15.426 -3.731 2.765 244 H THR 49 HN THR 49 -10.201 -4.340 -2.211 245 HA THR 49 HA THR 49 -10.027 -1.415 -2.476 246 HB THR 49 HB THR 49 -8.943 -1.760 -4.518 247 HG1 THR 49 HG1 THR 49 -8.890 -3.760 -5.575 248 1HG2 THR 49 HG21 THR 49 -7.569 -4.074 -3.775 249 2HG2 THR 49 HG22 THR 49 -7.995 -3.241 -2.280 250 3HG2 THR 49 HG23 THR 49 -7.083 -2.397 -3.530 251 H GLU 50 HN GLU 50 -11.172 -3.640 -4.981 252 HA GLU 50 HA GLU 50 -13.892 -2.607 -4.675 253 1HB GLU 50 HB2 GLU 50 -12.092 -1.723 -6.690 254 2HB GLU 50 HB1 GLU 50 -13.342 -2.672 -7.467 255 1HG GLU 50 HG2 GLU 50 -14.965 -1.226 -6.062 256 2HG GLU 50 HG1 GLU 50 -13.587 -0.136 -5.912 257 H LYS 51 HN LYS 51 -11.820 -4.720 -6.708 258 HA LYS 51 HA LYS 51 -13.926 -6.418 -7.494 259 1HB LYS 51 HB2 LYS 51 -11.530 -6.238 -8.436 260 2HB LYS 51 HB1 LYS 51 -11.092 -7.355 -7.157 261 1HG LYS 51 HG2 LYS 51 -11.494 -8.506 -9.266 262 2HG LYS 51 HG1 LYS 51 -12.644 -9.005 -8.024 263 1HD LYS 51 HD2 LYS 51 -14.390 -7.761 -8.994 264 2HD LYS 51 HD1 LYS 51 -13.278 -6.836 -10.005 265 1HE LYS 51 HE2 LYS 51 -13.554 -9.809 -10.293 266 2HE LYS 51 HE1 LYS 51 -14.655 -8.700 -11.109 267 1HZ LYS 51 HZ1 LYS 51 -11.821 -8.137 -11.414 268 2HZ LYS 51 HZ2 LYS 51 -13.072 -8.048 -12.550 269 3HZ LYS 51 HZ3 LYS 51 -12.377 -9.544 -12.173 270 H GLY 52 HN GLY 52 -12.420 -6.001 -4.482 271 1HA GLY 52 HA2 GLY 52 -14.021 -7.460 -2.927 272 2HA GLY 52 HA1 GLY 52 -12.931 -8.695 -3.538 273 H LEU 53 HN LEU 53 -12.541 -8.908 -1.193 274 HA LEU 53 HA LEU 53 -10.400 -7.077 -0.347 275 1HB LEU 53 HB2 LEU 53 -11.135 -7.056 1.848 276 2HB LEU 53 HB1 LEU 53 -12.636 -6.986 0.947 277 HG LEU 53 HG LEU 53 -11.495 -9.522 2.117 278 1HD1 LEU 53 HD11 LEU 53 -12.075 -8.557 4.068 279 2HD1 LEU 53 HD12 LEU 53 -13.702 -9.021 3.573 280 3HD1 LEU 53 HD13 LEU 53 -13.132 -7.376 3.295 281 1HD2 LEU 53 HD21 LEU 53 -12.959 -10.401 0.657 282 2HD2 LEU 53 HD22 LEU 53 -13.799 -8.868 0.422 283 3HD2 LEU 53 HD23 LEU 53 -14.176 -9.873 1.821 284 H LYS 54 HN LYS 54 -8.532 -7.993 0.262 285 HA LYS 54 HA LYS 54 -8.471 -10.910 0.549 286 1HB LYS 54 HB2 LYS 54 -7.464 -9.658 -1.614 287 2HB LYS 54 HB1 LYS 54 -6.063 -9.588 -0.553 288 1HG LYS 54 HG2 LYS 54 -5.602 -11.591 -1.442 289 2HG LYS 54 HG1 LYS 54 -6.771 -12.176 -0.256 290 1HD LYS 54 HD2 LYS 54 -8.384 -11.436 -2.338 291 2HD LYS 54 HD1 LYS 54 -6.953 -12.037 -3.177 292 1HE LYS 54 HE2 LYS 54 -8.734 -13.488 -1.240 293 2HE LYS 54 HE1 LYS 54 -8.368 -13.903 -2.913 294 1HZ LYS 54 HZ1 LYS 54 -6.947 -15.320 -1.924 295 2HZ LYS 54 HZ2 LYS 54 -6.838 -14.416 -0.498 296 3HZ LYS 54 HZ3 LYS 54 -5.934 -13.966 -1.855 297 H VAL 55 HN VAL 55 -6.988 -11.771 1.993 298 HA VAL 55 HA VAL 55 -5.725 -9.822 3.806 299 HB VAL 55 HB VAL 55 -6.056 -11.347 5.648 300 1HG1 VAL 55 HG11 VAL 55 -8.229 -10.783 6.051 301 2HG1 VAL 55 HG12 VAL 55 -8.777 -11.298 4.456 302 3HG1 VAL 55 HG13 VAL 55 -7.931 -9.762 4.646 303 1HG2 VAL 55 HG21 VAL 55 -5.929 -13.486 4.616 304 2HG2 VAL 55 HG22 VAL 55 -7.316 -13.143 3.583 305 3HG2 VAL 55 HG23 VAL 55 -7.542 -13.358 5.317 306 H VAL 56 HN VAL 56 -3.620 -9.964 3.996 307 HA VAL 56 HA VAL 56 -2.264 -12.516 3.618 308 HB VAL 56 HB VAL 56 -0.507 -11.284 2.228 309 1HG1 VAL 56 HG11 VAL 56 -1.380 -12.251 0.384 310 2HG1 VAL 56 HG12 VAL 56 -2.941 -11.451 0.574 311 3HG1 VAL 56 HG13 VAL 56 -2.561 -12.881 1.534 312 1HG2 VAL 56 HG21 VAL 56 -1.506 -9.446 0.818 313 2HG2 VAL 56 HG22 VAL 56 -1.163 -9.022 2.495 314 3HG2 VAL 56 HG23 VAL 56 -2.818 -9.371 1.994 315 H ALA 57 HN ALA 57 0.183 -12.144 3.952 316 HA ALA 57 HA ALA 57 0.509 -10.561 6.407 317 1HB ALA 57 HB1 ALA 57 2.706 -12.219 6.230 318 2HB ALA 57 HB2 ALA 57 1.400 -13.208 5.581 319 3HB ALA 57 HB3 ALA 57 1.262 -12.514 7.195 320 H LYS 58 HN LYS 58 2.977 -9.966 6.691 321 HA LYS 58 HA LYS 58 3.660 -7.857 5.195 322 1HB LYS 58 HB2 LYS 58 5.646 -9.893 6.218 323 2HB LYS 58 HB1 LYS 58 6.011 -8.222 5.803 324 1HG LYS 58 HG2 LYS 58 4.423 -7.497 7.571 325 2HG LYS 58 HG1 LYS 58 4.240 -9.190 8.036 326 1HD LYS 58 HD2 LYS 58 6.957 -8.904 7.995 327 2HD LYS 58 HD1 LYS 58 6.432 -7.316 8.560 328 1HE LYS 58 HE2 LYS 58 5.014 -8.504 10.259 329 2HE LYS 58 HE1 LYS 58 5.808 -10.001 9.774 330 1HZ LYS 58 HZ1 LYS 58 7.914 -8.433 10.234 331 2HZ LYS 58 HZ2 LYS 58 7.225 -9.441 11.406 332 3HZ LYS 58 HZ3 LYS 58 6.822 -7.799 11.362 333 H ARG 59 HN ARG 59 4.160 -11.197 4.224 334 HA ARG 59 HA ARG 59 5.293 -10.253 1.675 335 1HB ARG 59 HB2 ARG 59 5.446 -13.032 2.856 336 2HB ARG 59 HB1 ARG 59 6.255 -12.466 1.401 337 1HG ARG 59 HG2 ARG 59 6.773 -11.442 4.185 338 2HG ARG 59 HG1 ARG 59 7.771 -12.613 3.320 339 1HD ARG 59 HD2 ARG 59 7.942 -10.818 1.495 340 2HD ARG 59 HD1 ARG 59 7.338 -9.704 2.721 341 HE ARG 59 HE ARG 59 9.459 -11.034 3.876 342 1HH1 ARG 59 HH11 ARG 59 8.966 -8.967 1.109 343 2HH1 ARG 59 HH12 ARG 59 10.570 -8.315 1.153 344 1HH2 ARG 59 HH21 ARG 59 11.569 -10.177 3.937 345 2HH2 ARG 59 HH22 ARG 59 12.048 -9.002 2.758 346 H GLY 60 HN GLY 60 3.745 -10.060 0.186 347 1HA GLY 60 HA2 GLY 60 2.444 -12.043 -1.098 348 2HA GLY 60 HA1 GLY 60 1.368 -11.716 0.253 349 H ARG 61 HN ARG 61 1.680 -11.119 -2.897 350 HA ARG 61 HA ARG 61 0.923 -9.524 -4.350 351 1HB ARG 61 HB2 ARG 61 -0.782 -8.904 -1.935 352 2HB ARG 61 HB1 ARG 61 -1.015 -8.148 -3.505 353 1HG ARG 61 HG2 ARG 61 -2.566 -9.974 -3.214 354 2HG ARG 61 HG1 ARG 61 -1.419 -10.351 -4.500 355 1HD ARG 61 HD2 ARG 61 -0.650 -11.231 -1.795 356 2HD ARG 61 HD1 ARG 61 -2.054 -12.041 -2.490 357 HE ARG 61 HE ARG 61 -0.227 -12.144 -4.484 358 1HH1 ARG 61 HH11 ARG 61 -0.138 -13.050 -1.116 359 2HH1 ARG 61 HH12 ARG 61 1.004 -14.330 -1.361 360 1HH2 ARG 61 HH21 ARG 61 1.273 -13.827 -4.809 361 2HH2 ARG 61 HH22 ARG 61 1.806 -14.770 -3.457 362 H THR 62 HN THR 62 0.315 -6.890 -4.281 363 HA THR 62 HA THR 62 2.576 -5.684 -2.796 364 HB THR 62 HB THR 62 1.628 -4.969 -5.578 365 HG1 THR 62 HG1 THR 62 3.660 -5.786 -6.194 366 1HG2 THR 62 HG21 THR 62 2.762 -3.212 -3.909 367 2HG2 THR 62 HG22 THR 62 3.042 -3.221 -5.651 368 3HG2 THR 62 HG23 THR 62 4.209 -3.976 -4.565 369 H PHE 63 HN PHE 63 1.933 -4.139 -1.408 370 HA PHE 63 HA PHE 63 -0.458 -2.583 -2.132 371 1HB PHE 63 HB2 PHE 63 -1.085 -2.649 0.336 372 2HB PHE 63 HB1 PHE 63 -1.326 -4.136 -0.575 373 HD1 PHE 63 HD1 PHE 63 0.668 -5.831 -0.487 374 HD2 PHE 63 HD2 PHE 63 -0.001 -2.739 2.359 375 HE1 PHE 63 HE1 PHE 63 2.021 -7.061 1.159 376 HE2 PHE 63 HE2 PHE 63 1.352 -3.961 4.011 377 HZ PHE 63 HZ PHE 63 2.367 -6.124 3.412 378 H ARG 64 HN ARG 64 -0.497 -0.426 -1.281 379 HA ARG 64 HA ARG 64 1.983 0.484 0.042 380 1HB ARG 64 HB2 ARG 64 1.918 2.555 -1.225 381 2HB ARG 64 HB1 ARG 64 1.951 1.197 -2.340 382 1HG ARG 64 HG2 ARG 64 -0.641 1.478 -2.306 383 2HG ARG 64 HG1 ARG 64 -0.256 3.103 -1.739 384 1HD ARG 64 HD2 ARG 64 -0.517 2.980 -4.192 385 2HD ARG 64 HD1 ARG 64 1.089 3.515 -3.699 386 HE ARG 64 HE ARG 64 1.007 0.701 -4.113 387 1HH1 ARG 64 HH11 ARG 64 1.158 3.754 -5.798 388 2HH1 ARG 64 HH12 ARG 64 1.963 3.094 -7.182 389 1HH2 ARG 64 HH21 ARG 64 2.068 -0.169 -5.933 390 2HH2 ARG 64 HH22 ARG 64 2.480 0.867 -7.258 391 H VAL 65 HN VAL 65 1.556 1.412 1.996 392 HA VAL 65 HA VAL 65 -1.232 2.255 2.458 393 HB VAL 65 HB VAL 65 -0.814 1.804 4.854 394 1HG1 VAL 65 HG11 VAL 65 -0.721 -0.702 4.590 395 2HG1 VAL 65 HG12 VAL 65 -0.455 -0.428 2.869 396 3HG1 VAL 65 HG13 VAL 65 -1.948 0.124 3.629 397 1HG2 VAL 65 HG21 VAL 65 1.797 1.956 4.317 398 2HG2 VAL 65 HG22 VAL 65 1.593 0.207 4.199 399 3HG2 VAL 65 HG23 VAL 65 1.158 1.049 5.688 400 H TRP 66 HN TRP 66 -1.777 4.053 3.422 401 HA TRP 66 HA TRP 66 0.281 6.008 4.184 402 1HB TRP 66 HB2 TRP 66 -2.382 6.751 2.982 403 2HB TRP 66 HB1 TRP 66 -0.978 7.780 3.226 404 HD1 TRP 66 HD1 TRP 66 1.246 6.977 1.615 405 HE1 TRP 66 HE1 TRP 66 1.171 6.363 -0.882 406 HE3 TRP 66 HE3 TRP 66 -3.718 5.818 1.209 407 HZ2 TRP 66 HZ2 TRP 66 -0.743 5.505 -2.772 408 HZ3 TRP 66 HZ3 TRP 66 -4.593 5.107 -0.964 409 HH2 TRP 66 HH2 TRP 66 -3.130 4.969 -2.920 410 H TYR 67 HN TYR 67 0.101 6.672 6.195 411 HA TYR 67 HA TYR 67 -2.487 6.436 7.583 412 1HB TYR 67 HB2 TYR 67 -0.121 5.131 8.216 413 2HB TYR 67 HB1 TYR 67 -0.128 6.506 9.313 414 HD1 TYR 67 HD1 TYR 67 -0.229 3.669 10.208 415 HD2 TYR 67 HD2 TYR 67 -3.372 6.382 9.268 416 HE1 TYR 67 HE1 TYR 67 -1.732 2.447 11.721 417 HE2 TYR 67 HE2 TYR 67 -4.878 5.166 10.778 418 HH TYR 67 HH TYR 67 -4.337 3.539 13.007 419 H LYS 68 HN LYS 68 -2.380 7.916 9.671 420 HA LYS 68 HA LYS 68 -2.054 10.588 8.699 421 1HB LYS 68 HB2 LYS 68 -3.426 9.286 10.867 422 2HB LYS 68 HB1 LYS 68 -2.532 10.673 11.474 423 1HG LYS 68 HG2 LYS 68 -4.638 11.516 10.940 424 2HG LYS 68 HG1 LYS 68 -3.618 11.989 9.580 425 1HD LYS 68 HD2 LYS 68 -4.549 9.525 8.804 426 2HD LYS 68 HD1 LYS 68 -5.931 10.205 9.664 427 1HE LYS 68 HE2 LYS 68 -5.156 12.332 8.175 428 2HE LYS 68 HE1 LYS 68 -4.702 11.002 7.111 429 1HZ LYS 68 HZ1 LYS 68 -7.375 11.751 8.099 430 2HZ LYS 68 HZ2 LYS 68 -7.068 10.160 7.614 431 3HZ LYS 68 HZ3 LYS 68 -6.874 11.430 6.515 432 H GLY 69 HN GLY 69 0.242 8.542 9.654 433 1HA GLY 69 HA2 GLY 69 1.774 10.610 11.098 434 2HA GLY 69 HA1 GLY 69 2.020 8.883 11.304 435 H LYS 70 HN LYS 70 2.220 7.896 8.823 436 HA LYS 70 HA LYS 70 3.969 9.515 7.192 437 1HB LYS 70 HB2 LYS 70 4.996 7.383 8.987 438 2HB LYS 70 HB1 LYS 70 5.660 7.439 7.360 439 1HG LYS 70 HG2 LYS 70 7.137 8.824 8.355 440 2HG LYS 70 HG1 LYS 70 5.892 10.021 7.991 441 1HD LYS 70 HD2 LYS 70 5.905 10.510 10.168 442 2HD LYS 70 HD1 LYS 70 5.099 8.961 10.422 443 1HE LYS 70 HE2 LYS 70 6.858 8.598 11.793 444 2HE LYS 70 HE1 LYS 70 7.645 8.128 10.287 445 1HZ LYS 70 HZ1 LYS 70 7.748 10.952 11.006 446 2HZ LYS 70 HZ2 LYS 70 8.918 9.981 10.265 447 3HZ LYS 70 HZ3 LYS 70 8.685 9.894 11.938 448 H ILE 71 HN ILE 71 5.021 7.856 5.468 449 HA ILE 71 HA ILE 71 2.850 6.068 4.589 450 HB ILE 71 HB ILE 71 3.318 6.690 2.269 451 1HG1 ILE 71 HG12 ILE 71 4.652 9.066 2.294 452 2HG1 ILE 71 HG11 ILE 71 5.504 8.194 3.564 453 1HG2 ILE 71 HG21 ILE 71 2.249 8.847 2.291 454 2HG2 ILE 71 HG22 ILE 71 2.750 9.120 3.960 455 3HG2 ILE 71 HG23 ILE 71 1.576 7.858 3.586 456 1HD1 ILE 71 HD11 ILE 71 6.542 6.872 2.103 457 2HD1 ILE 71 HD12 ILE 71 6.056 8.063 0.898 458 3HD1 ILE 71 HD13 ILE 71 5.080 6.616 1.151 459 H MET 72 HN MET 72 3.440 4.055 4.033 460 HA MET 72 HA MET 72 6.272 3.532 3.433 461 1HB MET 72 HB2 MET 72 5.765 2.990 5.825 462 2HB MET 72 HB1 MET 72 4.595 1.806 5.259 463 1HG MET 72 HG2 MET 72 6.198 0.354 4.536 464 2HG MET 72 HG1 MET 72 7.377 1.631 4.239 465 1HE MET 72 HE1 MET 72 5.568 -0.601 6.497 466 2HE MET 72 HE2 MET 72 6.382 -0.572 8.060 467 3HE MET 72 HE3 MET 72 7.110 -1.432 6.702 468 H ARG 73 HN ARG 73 6.657 1.592 2.206 469 HA ARG 73 HA ARG 73 4.257 0.589 0.818 470 1HB ARG 73 HB2 ARG 73 6.818 1.639 -0.258 471 2HB ARG 73 HB1 ARG 73 6.124 0.245 -1.076 472 1HG ARG 73 HG2 ARG 73 4.033 1.492 -1.391 473 2HG ARG 73 HG1 ARG 73 4.769 2.895 -0.614 474 1HD ARG 73 HD2 ARG 73 6.379 3.111 -2.359 475 2HD ARG 73 HD1 ARG 73 5.909 1.564 -3.062 476 HE ARG 73 HE ARG 73 4.170 2.610 -4.117 477 1HH1 ARG 73 HH11 ARG 73 5.400 4.711 -1.618 478 2HH1 ARG 73 HH12 ARG 73 4.436 6.064 -2.108 479 1HH2 ARG 73 HH21 ARG 73 2.899 4.387 -4.760 480 2HH2 ARG 73 HH22 ARG 73 3.014 5.880 -3.889 481 H ILE 74 HN ILE 74 4.011 -1.572 0.766 482 HA ILE 74 HA ILE 74 6.353 -3.221 1.480 483 HB ILE 74 HB ILE 74 3.508 -3.849 2.252 484 1HG1 ILE 74 HG12 ILE 74 4.259 -1.825 3.416 485 2HG1 ILE 74 HG11 ILE 74 4.135 -3.181 4.532 486 1HG2 ILE 74 HG21 ILE 74 5.084 -5.751 1.998 487 2HG2 ILE 74 HG22 ILE 74 4.468 -5.555 3.640 488 3HG2 ILE 74 HG23 ILE 74 6.101 -5.021 3.240 489 1HD1 ILE 74 HD11 ILE 74 6.152 -1.683 4.773 490 2HD1 ILE 74 HD12 ILE 74 6.729 -2.378 3.258 491 3HD1 ILE 74 HD13 ILE 74 6.468 -3.415 4.662 492 H LYS 75 HN LYS 75 6.886 -4.697 0.031 493 HA LYS 75 HA LYS 75 4.807 -5.731 -1.779 494 1HB LYS 75 HB2 LYS 75 6.267 -4.096 -2.941 495 2HB LYS 75 HB1 LYS 75 7.661 -5.094 -2.546 496 1HG LYS 75 HG2 LYS 75 6.788 -6.905 -3.889 497 2HG LYS 75 HG1 LYS 75 5.323 -5.980 -4.225 498 1HD LYS 75 HD2 LYS 75 6.456 -4.453 -5.579 499 2HD LYS 75 HD1 LYS 75 8.030 -4.892 -4.916 500 1HE LYS 75 HE2 LYS 75 8.264 -6.145 -6.752 501 2HE LYS 75 HE1 LYS 75 7.150 -7.264 -5.968 502 1HZ LYS 75 HZ1 LYS 75 6.712 -5.485 -8.216 503 2HZ LYS 75 HZ2 LYS 75 5.443 -5.561 -7.100 504 3HZ LYS 75 HZ3 LYS 75 5.990 -6.972 -7.853 505 H GLY 76 HN GLY 76 4.754 -7.900 -2.035 506 1HA GLY 76 HA2 GLY 76 6.550 -9.475 -0.377 507 2HA GLY 76 HA1 GLY 76 5.123 -10.060 -1.221 508 H ASP 77 HN ASP 77 8.053 -10.914 -1.051 509 HA ASP 77 HA ASP 77 9.557 -11.949 -2.408 510 1HB ASP 77 HB2 ASP 77 7.413 -11.715 -4.531 511 2HB ASP 77 HB1 ASP 77 8.789 -12.813 -4.549 Start of MODEL 2 1 1H GLY 17 HN GLY 17 -6.528 6.109 10.152 2 1HA GLY 17 HA2 GLY 17 -7.084 7.983 7.995 3 2HA GLY 17 HA1 GLY 17 -5.577 8.241 8.860 4 H LEU 18 HN LEU 18 -6.682 4.994 8.572 5 HA LEU 18 HA LEU 18 -4.363 4.260 7.053 6 1HB LEU 18 HB2 LEU 18 -6.723 2.716 8.111 7 2HB LEU 18 HB1 LEU 18 -5.436 1.964 7.194 8 HG LEU 18 HG LEU 18 -4.136 3.388 9.223 9 1HD1 LEU 18 HD11 LEU 18 -5.996 3.698 10.583 10 2HD1 LEU 18 HD12 LEU 18 -5.260 2.227 11.219 11 3HD1 LEU 18 HD13 LEU 18 -6.678 2.123 10.175 12 1HD2 LEU 18 HD21 LEU 18 -3.573 1.142 10.059 13 2HD2 LEU 18 HD22 LEU 18 -3.397 1.273 8.309 14 3HD2 LEU 18 HD23 LEU 18 -4.802 0.456 8.996 15 H MET 19 HN MET 19 -4.994 5.711 5.211 16 HA MET 19 HA MET 19 -6.919 4.368 3.395 17 1HB MET 19 HB2 MET 19 -6.598 7.097 4.078 18 2HB MET 19 HB1 MET 19 -6.026 6.932 2.424 19 1HG MET 19 HG2 MET 19 -8.127 5.987 1.739 20 2HG MET 19 HG1 MET 19 -8.703 5.973 3.405 21 1HE MET 19 HE1 MET 19 -10.792 6.965 2.368 22 2HE MET 19 HE2 MET 19 -10.306 7.576 0.785 23 3HE MET 19 HE3 MET 19 -11.010 8.671 1.975 24 H VAL 20 HN VAL 20 -6.067 3.337 1.636 25 HA VAL 20 HA VAL 20 -3.386 4.126 0.780 26 HB VAL 20 HB VAL 20 -2.504 1.968 0.985 27 1HG1 VAL 20 HG11 VAL 20 -2.433 1.653 3.270 28 2HG1 VAL 20 HG12 VAL 20 -4.147 2.010 3.469 29 3HG1 VAL 20 HG13 VAL 20 -3.008 3.313 3.145 30 1HG2 VAL 20 HG21 VAL 20 -3.705 -0.030 1.436 31 2HG2 VAL 20 HG22 VAL 20 -4.567 0.800 0.145 32 3HG2 VAL 20 HG23 VAL 20 -5.179 0.869 1.796 33 H GLU 21 HN GLU 21 -2.705 2.708 -1.116 34 HA GLU 21 HA GLU 21 -4.976 2.148 -2.922 35 1HB GLU 21 HB2 GLU 21 -3.997 3.952 -4.050 36 2HB GLU 21 HB1 GLU 21 -2.385 3.583 -3.453 37 1HG GLU 21 HG2 GLU 21 -1.950 2.124 -5.135 38 2HG GLU 21 HG1 GLU 21 -3.633 1.622 -5.288 39 H VAL 22 HN VAL 22 -5.003 -0.057 -3.354 40 HA VAL 22 HA VAL 22 -2.411 -1.424 -2.939 41 HB VAL 22 HB VAL 22 -5.109 -2.397 -2.058 42 1HG1 VAL 22 HG11 VAL 22 -3.554 -4.014 -0.747 43 2HG1 VAL 22 HG12 VAL 22 -2.362 -3.595 -1.977 44 3HG1 VAL 22 HG13 VAL 22 -3.892 -4.336 -2.446 45 1HG2 VAL 22 HG21 VAL 22 -3.188 -0.627 -0.833 46 2HG2 VAL 22 HG22 VAL 22 -3.411 -2.081 0.136 47 3HG2 VAL 22 HG23 VAL 22 -4.801 -1.084 -0.291 48 H VAL 23 HN VAL 23 -1.873 -3.183 -3.993 49 HA VAL 23 HA VAL 23 -3.727 -4.251 -6.007 50 HB VAL 23 HB VAL 23 -0.727 -4.018 -6.356 51 1HG1 VAL 23 HG11 VAL 23 -2.139 -5.910 -7.446 52 2HG1 VAL 23 HG12 VAL 23 -0.968 -5.023 -8.421 53 3HG1 VAL 23 HG13 VAL 23 -2.683 -4.630 -8.530 54 1HG2 VAL 23 HG21 VAL 23 -2.282 -1.883 -6.474 55 2HG2 VAL 23 HG22 VAL 23 -2.629 -2.520 -8.082 56 3HG2 VAL 23 HG23 VAL 23 -0.969 -2.133 -7.625 57 H GLU 24 HN GLU 24 -4.152 -6.248 -5.475 58 HA GLU 24 HA GLU 24 -2.148 -8.063 -4.442 59 1HB GLU 24 HB2 GLU 24 -3.925 -8.848 -2.742 60 2HB GLU 24 HB1 GLU 24 -3.010 -7.392 -2.375 61 1HG GLU 24 HG2 GLU 24 -4.939 -6.092 -3.361 62 2HG GLU 24 HG1 GLU 24 -5.841 -7.607 -3.347 63 H SER 25 HN SER 25 -3.279 -10.317 -4.143 64 HA SER 25 HA SER 25 -4.368 -12.087 -5.070 65 1HB SER 25 HB2 SER 25 -6.175 -10.515 -6.795 66 2HB SER 25 HB1 SER 25 -6.547 -11.784 -5.629 67 HG SER 25 HG SER 25 -6.973 -9.257 -5.296 68 HA PRO 26 HA PRO 26 -1.710 -11.913 -8.786 69 1HB PRO 26 HB2 PRO 26 -1.989 -14.848 -8.466 70 2HB PRO 26 HB1 PRO 26 -0.528 -13.870 -8.646 71 1HG PRO 26 HG2 PRO 26 -1.180 -14.950 -6.292 72 2HG PRO 26 HG1 PRO 26 -0.446 -13.340 -6.394 73 1HD PRO 26 HD2 PRO 26 -3.302 -14.096 -5.927 74 2HD PRO 26 HD1 PRO 26 -2.345 -12.795 -5.189 75 H ASN 27 HN ASN 27 -4.750 -13.368 -8.126 76 HA ASN 27 HA ASN 27 -5.609 -14.750 -10.237 77 1HB ASN 27 HB2 ASN 27 -6.808 -13.236 -8.217 78 2HB ASN 27 HB1 ASN 27 -7.534 -12.644 -9.707 79 1HD2 ASN 27 HD21 ASN 27 -9.522 -13.523 -9.449 80 2HD2 ASN 27 HD22 ASN 27 -9.830 -15.223 -9.430 81 H HIS 28 HN HIS 28 -6.576 -14.351 -12.276 82 HA HIS 28 HA HIS 28 -5.245 -12.598 -13.971 83 1HB HIS 28 HB2 HIS 28 -8.029 -13.746 -14.304 84 2HB HIS 28 HB1 HIS 28 -7.059 -13.042 -15.593 85 HD1 HIS 28 HD1 HIS 28 -7.083 -16.012 -13.250 86 HD2 HIS 28 HD2 HIS 28 -5.295 -14.766 -16.789 87 HE1 HIS 28 HE1 HIS 28 -5.854 -18.023 -14.126 88 HE2 HIS 28 HE2 HIS 28 -4.840 -17.266 -16.305 89 H SER 29 HN SER 29 -8.492 -12.278 -12.568 90 HA SER 29 HA SER 29 -8.526 -9.435 -13.261 91 1HB SER 29 HB2 SER 29 -10.864 -9.473 -12.810 92 2HB SER 29 HB1 SER 29 -10.531 -10.978 -13.665 93 HG SER 29 HG SER 29 -11.056 -12.067 -11.940 94 H GLU 30 HN GLU 30 -6.606 -9.810 -11.551 95 HA GLU 30 HA GLU 30 -6.881 -10.080 -8.884 96 1HB GLU 30 HB2 GLU 30 -5.007 -8.477 -8.625 97 2HB GLU 30 HB1 GLU 30 -4.736 -9.665 -9.892 98 1HG GLU 30 HG2 GLU 30 -4.071 -7.828 -11.015 99 2HG GLU 30 HG1 GLU 30 -5.792 -7.735 -11.381 100 H VAL 31 HN VAL 31 -6.670 -8.322 -7.193 101 HA VAL 31 HA VAL 31 -8.876 -6.386 -7.550 102 HB VAL 31 HB VAL 31 -7.752 -7.384 -4.949 103 1HG1 VAL 31 HG11 VAL 31 -10.029 -5.662 -5.733 104 2HG1 VAL 31 HG12 VAL 31 -8.912 -5.525 -4.373 105 3HG1 VAL 31 HG13 VAL 31 -10.217 -6.707 -4.326 106 1HG2 VAL 31 HG21 VAL 31 -10.372 -8.436 -5.614 107 2HG2 VAL 31 HG22 VAL 31 -8.938 -9.274 -5.021 108 3HG2 VAL 31 HG23 VAL 31 -9.132 -8.970 -6.747 109 H GLY 32 HN GLY 32 -7.846 -4.528 -8.155 110 1HA GLY 32 HA2 GLY 32 -5.899 -3.479 -6.263 111 2HA GLY 32 HA1 GLY 32 -5.547 -3.371 -7.992 112 H ILE 33 HN ILE 33 -6.889 -1.799 -5.459 113 HA ILE 33 HA ILE 33 -7.898 0.189 -7.204 114 HB ILE 33 HB ILE 33 -9.726 -1.801 -6.212 115 1HG1 ILE 33 HG12 ILE 33 -9.276 -0.754 -8.480 116 2HG1 ILE 33 HG11 ILE 33 -10.946 -1.120 -8.070 117 1HG2 ILE 33 HG21 ILE 33 -11.502 -0.540 -5.340 118 2HG2 ILE 33 HG22 ILE 33 -10.713 0.988 -5.700 119 3HG2 ILE 33 HG23 ILE 33 -10.084 -0.050 -4.423 120 1HD1 ILE 33 HD11 ILE 33 -9.728 1.605 -7.717 121 2HD1 ILE 33 HD12 ILE 33 -11.436 1.164 -7.686 122 3HD1 ILE 33 HD13 ILE 33 -10.535 1.092 -9.200 123 H LYS 34 HN LYS 34 -9.236 1.754 -5.782 124 HA LYS 34 HA LYS 34 -7.377 2.658 -3.754 125 1HB LYS 34 HB2 LYS 34 -10.142 3.688 -4.504 126 2HB LYS 34 HB1 LYS 34 -9.052 4.479 -3.374 127 1HG LYS 34 HG2 LYS 34 -7.849 3.962 -5.981 128 2HG LYS 34 HG1 LYS 34 -9.256 5.024 -6.044 129 1HD LYS 34 HD2 LYS 34 -8.229 6.430 -4.290 130 2HD LYS 34 HD1 LYS 34 -6.801 5.394 -4.329 131 1HE LYS 34 HE2 LYS 34 -6.088 6.984 -5.782 132 2HE LYS 34 HE1 LYS 34 -6.963 5.969 -6.928 133 1HZ LYS 34 HZ1 LYS 34 -7.941 7.914 -7.435 134 2HZ LYS 34 HZ2 LYS 34 -7.603 8.622 -5.936 135 3HZ LYS 34 HZ3 LYS 34 -8.917 7.568 -6.096 136 H GLY 35 HN GLY 35 -7.464 1.821 -1.724 137 1HA GLY 35 HA2 GLY 35 -10.036 0.827 -0.728 138 2HA GLY 35 HA1 GLY 35 -8.677 -0.272 -0.824 139 H GLU 36 HN GLU 36 -9.719 -0.241 1.456 140 HA GLU 36 HA GLU 36 -8.193 1.676 3.131 141 1HB GLU 36 HB2 GLU 36 -10.688 0.098 3.781 142 2HB GLU 36 HB1 GLU 36 -9.822 1.112 4.926 143 1HG GLU 36 HG2 GLU 36 -10.537 3.053 3.966 144 2HG GLU 36 HG1 GLU 36 -10.715 2.328 2.369 145 H VAL 37 HN VAL 37 -7.044 0.922 4.960 146 HA VAL 37 HA VAL 37 -6.549 -2.000 4.956 147 HB VAL 37 HB VAL 37 -4.246 -1.617 5.595 148 1HG1 VAL 37 HG11 VAL 37 -3.716 -0.121 3.395 149 2HG1 VAL 37 HG12 VAL 37 -5.359 -0.668 3.058 150 3HG1 VAL 37 HG13 VAL 37 -4.085 -1.844 3.375 151 1HG2 VAL 37 HG21 VAL 37 -3.320 0.723 5.359 152 2HG2 VAL 37 HG22 VAL 37 -4.309 0.419 6.787 153 3HG2 VAL 37 HG23 VAL 37 -4.989 1.291 5.411 154 H VAL 38 HN VAL 38 -6.947 -3.029 6.653 155 HA VAL 38 HA VAL 38 -6.738 -1.710 9.257 156 HB VAL 38 HB VAL 38 -8.998 -3.576 8.529 157 1HG1 VAL 38 HG11 VAL 38 -8.078 -2.257 11.005 158 2HG1 VAL 38 HG12 VAL 38 -8.937 -3.781 10.781 159 3HG1 VAL 38 HG13 VAL 38 -9.817 -2.253 10.716 160 1HG2 VAL 38 HG21 VAL 38 -10.456 -1.647 8.501 161 2HG2 VAL 38 HG22 VAL 38 -9.168 -1.433 7.315 162 3HG2 VAL 38 HG23 VAL 38 -9.098 -0.579 8.858 163 H ASP 39 HN ASP 39 -6.220 -3.064 10.942 164 HA ASP 39 HA ASP 39 -4.848 -5.515 10.188 165 1HB ASP 39 HB2 ASP 39 -4.707 -3.620 12.471 166 2HB ASP 39 HB1 ASP 39 -4.341 -5.304 12.826 167 H GLU 40 HN GLU 40 -6.414 -7.046 9.912 168 HA GLU 40 HA GLU 40 -8.771 -7.454 11.164 169 1HB GLU 40 HB2 GLU 40 -8.562 -9.839 10.643 170 2HB GLU 40 HB1 GLU 40 -8.008 -8.831 9.314 171 1HG GLU 40 HG2 GLU 40 -5.748 -9.315 9.754 172 2HG GLU 40 HG1 GLU 40 -6.126 -10.011 11.329 173 H THR 41 HN THR 41 -5.611 -8.335 12.487 174 HA THR 41 HA THR 41 -6.848 -8.577 15.108 175 HB THR 41 HB THR 41 -6.996 -10.852 14.313 176 HG1 THR 41 HG1 THR 41 -5.672 -11.850 15.893 177 1HG2 THR 41 HG21 THR 41 -4.110 -11.317 14.120 178 2HG2 THR 41 HG22 THR 41 -4.817 -10.399 12.790 179 3HG2 THR 41 HG23 THR 41 -5.442 -11.999 13.187 180 H GLN 42 HN GLN 42 -5.140 -6.597 14.110 181 HA GLN 42 HA GLN 42 -3.152 -5.521 14.470 182 1HB GLN 42 HB2 GLN 42 -3.774 -6.867 17.081 183 2HB GLN 42 HB1 GLN 42 -2.326 -5.885 16.907 184 1HG GLN 42 HG2 GLN 42 -3.582 -4.147 17.462 185 2HG GLN 42 HG1 GLN 42 -4.324 -4.288 15.869 186 1HE2 GLN 42 HE21 GLN 42 -4.669 -4.926 19.263 187 2HE2 GLN 42 HE22 GLN 42 -6.354 -5.304 19.231 188 H ASN 43 HN ASN 43 -2.509 -7.438 12.864 189 HA ASN 43 HA ASN 43 0.168 -8.106 13.518 190 1HB ASN 43 HB2 ASN 43 -1.428 -9.855 14.744 191 2HB ASN 43 HB1 ASN 43 -1.412 -10.609 13.152 192 1HD2 ASN 43 HD21 ASN 43 0.964 -10.531 12.206 193 2HD2 ASN 43 HD22 ASN 43 2.154 -11.191 13.270 194 H THR 44 HN THR 44 -2.406 -9.711 11.645 195 HA THR 44 HA THR 44 -0.742 -9.648 9.267 196 HB THR 44 HB THR 44 -2.383 -11.042 8.252 197 HG1 THR 44 HG1 THR 44 -4.359 -10.443 8.608 198 1HG2 THR 44 HG21 THR 44 -1.114 -12.138 10.101 199 2HG2 THR 44 HG22 THR 44 -2.667 -12.880 9.717 200 3HG2 THR 44 HG23 THR 44 -2.510 -11.852 11.140 201 H LEU 45 HN LEU 45 -1.573 -8.698 7.225 202 HA LEU 45 HA LEU 45 -3.148 -6.281 7.854 203 1HB LEU 45 HB2 LEU 45 -1.280 -6.683 5.526 204 2HB LEU 45 HB1 LEU 45 -2.033 -5.182 6.031 205 1HD1 LEU 45 HD11 LEU 45 0.967 -6.974 6.093 206 2HD1 LEU 45 HD12 LEU 45 1.743 -5.732 7.076 207 3HD1 LEU 45 HD13 LEU 45 0.886 -5.282 5.602 208 1HD2 LEU 45 HD21 LEU 45 0.400 -4.152 8.376 209 2HD2 LEU 45 HD22 LEU 45 -1.355 -4.308 8.452 210 3HD2 LEU 45 HD23 LEU 45 -0.589 -3.670 6.998 211 H LYS 46 HN LYS 46 -5.110 -6.089 7.017 212 HA LYS 46 HA LYS 46 -5.747 -7.699 4.629 213 1HB LYS 46 HB2 LYS 46 -8.105 -7.665 5.401 214 2HB LYS 46 HB1 LYS 46 -7.034 -8.501 6.516 215 1HG LYS 46 HG2 LYS 46 -7.144 -6.788 8.093 216 2HG LYS 46 HG1 LYS 46 -7.760 -5.623 6.920 217 1HD LYS 46 HD2 LYS 46 -9.886 -6.681 6.856 218 2HD LYS 46 HD1 LYS 46 -9.289 -8.079 7.753 219 1HE LYS 46 HE2 LYS 46 -9.955 -7.096 9.629 220 2HE LYS 46 HE1 LYS 46 -8.751 -5.838 9.356 221 1HZ LYS 46 HZ1 LYS 46 -10.571 -4.536 9.388 222 2HZ LYS 46 HZ2 LYS 46 -11.626 -5.779 8.938 223 3HZ LYS 46 HZ3 LYS 46 -10.696 -4.995 7.763 224 H ILE 47 HN ILE 47 -6.192 -6.572 2.862 225 HA ILE 47 HA ILE 47 -7.095 -3.781 3.191 226 HB ILE 47 HB ILE 47 -5.373 -4.572 0.875 227 1HG1 ILE 47 HG12 ILE 47 -4.372 -3.730 3.608 228 2HG1 ILE 47 HG11 ILE 47 -4.114 -5.295 2.846 229 1HG2 ILE 47 HG21 ILE 47 -4.716 -2.048 1.547 230 2HG2 ILE 47 HG22 ILE 47 -6.374 -2.111 2.135 231 3HG2 ILE 47 HG23 ILE 47 -6.024 -2.462 0.443 232 1HD1 ILE 47 HD11 ILE 47 -3.011 -2.647 1.948 233 2HD1 ILE 47 HD12 ILE 47 -2.840 -4.158 1.057 234 3HD1 ILE 47 HD13 ILE 47 -2.121 -3.992 2.657 235 H MET 48 HN MET 48 -8.758 -3.130 1.896 236 HA MET 48 HA MET 48 -9.638 -5.088 -0.152 237 1HB MET 48 HB2 MET 48 -11.952 -4.566 0.387 238 2HB MET 48 HB1 MET 48 -11.110 -5.113 1.830 239 1HG MET 48 HG2 MET 48 -10.818 -2.337 1.814 240 2HG MET 48 HG1 MET 48 -12.487 -2.638 1.333 241 1HE MET 48 HE1 MET 48 -14.099 -4.553 3.888 242 2HE MET 48 HE2 MET 48 -14.108 -3.646 2.375 243 3HE MET 48 HE3 MET 48 -14.356 -2.808 3.908 244 H THR 49 HN THR 49 -9.872 -4.288 -2.224 245 HA THR 49 HA THR 49 -9.815 -1.348 -2.437 246 HB THR 49 HB THR 49 -8.675 -1.574 -4.454 247 HG1 THR 49 HG1 THR 49 -8.503 -3.542 -5.573 248 1HG2 THR 49 HG21 THR 49 -6.780 -2.210 -3.544 249 2HG2 THR 49 HG22 THR 49 -7.256 -3.898 -3.728 250 3HG2 THR 49 HG23 THR 49 -7.669 -3.020 -2.255 251 H GLU 50 HN GLU 50 -10.809 -3.599 -4.987 252 HA GLU 50 HA GLU 50 -13.575 -2.670 -4.714 253 1HB GLU 50 HB2 GLU 50 -11.779 -1.795 -6.737 254 2HB GLU 50 HB1 GLU 50 -13.002 -2.793 -7.496 255 1HG GLU 50 HG2 GLU 50 -14.696 -1.369 -6.227 256 2HG GLU 50 HG1 GLU 50 -13.357 -0.259 -5.939 257 H LYS 51 HN LYS 51 -11.461 -4.750 -6.749 258 HA LYS 51 HA LYS 51 -13.486 -6.530 -7.509 259 1HB LYS 51 HB2 LYS 51 -10.534 -7.023 -7.125 260 2HB LYS 51 HB1 LYS 51 -11.627 -8.148 -7.914 261 1HG LYS 51 HG2 LYS 51 -11.882 -5.545 -9.091 262 2HG LYS 51 HG1 LYS 51 -10.189 -6.043 -9.074 263 1HD LYS 51 HD2 LYS 51 -10.796 -7.044 -11.018 264 2HD LYS 51 HD1 LYS 51 -11.293 -8.328 -9.914 265 1HE LYS 51 HE2 LYS 51 -13.271 -6.198 -10.466 266 2HE LYS 51 HE1 LYS 51 -12.906 -7.304 -11.789 267 1HZ LYS 51 HZ1 LYS 51 -14.217 -7.833 -9.231 268 2HZ LYS 51 HZ2 LYS 51 -13.255 -9.063 -9.882 269 3HZ LYS 51 HZ3 LYS 51 -14.558 -8.451 -10.769 270 H GLY 52 HN GLY 52 -12.024 -6.032 -4.478 271 1HA GLY 52 HA2 GLY 52 -13.638 -7.421 -2.887 272 2HA GLY 52 HA1 GLY 52 -12.578 -8.695 -3.471 273 H LEU 53 HN LEU 53 -12.074 -8.916 -1.181 274 HA LEU 53 HA LEU 53 -9.930 -7.061 -0.403 275 1HB LEU 53 HB2 LEU 53 -10.608 -7.015 1.820 276 2HB LEU 53 HB1 LEU 53 -12.117 -6.892 0.938 277 HG LEU 53 HG LEU 53 -11.045 -9.448 2.132 278 1HD1 LEU 53 HD11 LEU 53 -13.240 -8.911 3.570 279 2HD1 LEU 53 HD12 LEU 53 -12.691 -7.265 3.249 280 3HD1 LEU 53 HD13 LEU 53 -11.620 -8.411 4.056 281 1HD2 LEU 53 HD21 LEU 53 -12.485 -10.255 0.582 282 2HD2 LEU 53 HD22 LEU 53 -13.390 -8.744 0.474 283 3HD2 LEU 53 HD23 LEU 53 -13.674 -9.848 1.820 284 H LYS 54 HN LYS 54 -8.067 -7.972 0.256 285 HA LYS 54 HA LYS 54 -8.015 -10.887 0.570 286 1HB LYS 54 HB2 LYS 54 -6.399 -9.142 -1.207 287 2HB LYS 54 HB1 LYS 54 -5.557 -10.466 -0.414 288 1HG LYS 54 HG2 LYS 54 -8.053 -10.810 -2.057 289 2HG LYS 54 HG1 LYS 54 -6.414 -10.994 -2.688 290 1HD LYS 54 HD2 LYS 54 -5.984 -12.797 -1.124 291 2HD LYS 54 HD1 LYS 54 -7.579 -12.579 -0.399 292 1HE LYS 54 HE2 LYS 54 -8.615 -13.156 -2.553 293 2HE LYS 54 HE1 LYS 54 -7.012 -13.415 -3.242 294 1HZ LYS 54 HZ1 LYS 54 -8.549 -15.095 -1.439 295 2HZ LYS 54 HZ2 LYS 54 -6.891 -15.002 -1.114 296 3HZ LYS 54 HZ3 LYS 54 -7.426 -15.525 -2.631 297 H VAL 55 HN VAL 55 -6.523 -11.723 2.039 298 HA VAL 55 HA VAL 55 -5.268 -9.728 3.808 299 HB VAL 55 HB VAL 55 -5.580 -11.316 5.670 300 1HG1 VAL 55 HG11 VAL 55 -7.381 -9.557 4.644 301 2HG1 VAL 55 HG12 VAL 55 -7.565 -10.398 6.184 302 3HG1 VAL 55 HG13 VAL 55 -8.346 -11.029 4.734 303 1HG2 VAL 55 HG21 VAL 55 -7.678 -12.921 4.595 304 2HG2 VAL 55 HG22 VAL 55 -6.150 -13.433 5.314 305 3HG2 VAL 55 HG23 VAL 55 -6.244 -13.110 3.583 306 H VAL 56 HN VAL 56 -3.157 -9.900 4.089 307 HA VAL 56 HA VAL 56 -1.843 -12.468 3.536 308 HB VAL 56 HB VAL 56 0.083 -11.100 2.580 309 1HG1 VAL 56 HG11 VAL 56 -1.426 -10.707 0.388 310 2HG1 VAL 56 HG12 VAL 56 -2.490 -11.771 1.306 311 3HG1 VAL 56 HG13 VAL 56 -0.853 -12.291 0.907 312 1HG2 VAL 56 HG21 VAL 56 -2.006 -9.034 1.987 313 2HG2 VAL 56 HG22 VAL 56 -0.252 -8.917 1.848 314 3HG2 VAL 56 HG23 VAL 56 -1.011 -8.930 3.440 315 H ALA 57 HN ALA 57 0.040 -12.886 4.671 316 HA ALA 57 HA ALA 57 0.683 -11.028 6.861 317 1HB ALA 57 HB1 ALA 57 -0.299 -12.611 8.150 318 2HB ALA 57 HB2 ALA 57 1.285 -13.374 8.007 319 3HB ALA 57 HB3 ALA 57 -0.041 -13.893 6.966 320 H LYS 58 HN LYS 58 2.796 -10.579 7.109 321 HA LYS 58 HA LYS 58 5.044 -10.564 6.789 322 1HB LYS 58 HB2 LYS 58 4.358 -13.439 6.664 323 2HB LYS 58 HB1 LYS 58 5.917 -12.991 5.988 324 1HG LYS 58 HG2 LYS 58 6.695 -12.165 8.039 325 2HG LYS 58 HG1 LYS 58 5.072 -12.124 8.732 326 1HD LYS 58 HD2 LYS 58 5.270 -14.745 8.119 327 2HD LYS 58 HD1 LYS 58 6.962 -14.371 8.452 328 1HE LYS 58 HE2 LYS 58 6.316 -13.435 10.626 329 2HE LYS 58 HE1 LYS 58 4.632 -13.833 10.291 330 1HZ LYS 58 HZ1 LYS 58 6.250 -15.430 11.641 331 2HZ LYS 58 HZ2 LYS 58 6.546 -16.016 10.082 332 3HZ LYS 58 HZ3 LYS 58 4.971 -16.012 10.697 333 H ARG 59 HN ARG 59 4.152 -9.259 4.869 334 HA ARG 59 HA ARG 59 4.490 -8.540 2.744 335 1HB ARG 59 HB2 ARG 59 6.664 -10.472 3.185 336 2HB ARG 59 HB1 ARG 59 6.284 -10.170 1.494 337 1HG ARG 59 HG2 ARG 59 8.032 -8.685 2.205 338 2HG ARG 59 HG1 ARG 59 6.565 -7.753 1.893 339 1HD ARG 59 HD2 ARG 59 7.106 -6.838 3.895 340 2HD ARG 59 HD1 ARG 59 6.211 -8.233 4.494 341 HE ARG 59 HE ARG 59 8.741 -9.160 4.329 342 1HH1 ARG 59 HH11 ARG 59 7.340 -6.330 5.812 343 2HH1 ARG 59 HH12 ARG 59 8.524 -6.251 7.073 344 1HH2 ARG 59 HH21 ARG 59 10.300 -9.058 5.986 345 2HH2 ARG 59 HH22 ARG 59 10.207 -7.798 7.172 346 H GLY 60 HN GLY 60 4.587 -9.394 0.357 347 1HA GLY 60 HA2 GLY 60 3.736 -11.686 -0.693 348 2HA GLY 60 HA1 GLY 60 2.250 -11.100 0.043 349 H ARG 61 HN ARG 61 0.994 -9.824 -1.154 350 HA ARG 61 HA ARG 61 1.542 -9.173 -3.830 351 1HB ARG 61 HB2 ARG 61 -0.440 -7.887 -1.951 352 2HB ARG 61 HB1 ARG 61 -0.479 -7.817 -3.709 353 1HG ARG 61 HG2 ARG 61 -0.725 -10.326 -2.061 354 2HG ARG 61 HG1 ARG 61 -2.062 -9.459 -2.814 355 1HD ARG 61 HD2 ARG 61 -1.580 -11.194 -4.307 356 2HD ARG 61 HD1 ARG 61 -0.801 -9.778 -5.011 357 HE ARG 61 HE ARG 61 0.894 -11.387 -3.313 358 1HH1 ARG 61 HH11 ARG 61 -0.244 -10.809 -6.563 359 2HH1 ARG 61 HH12 ARG 61 1.120 -11.573 -7.308 360 1HH2 ARG 61 HH21 ARG 61 2.687 -12.390 -4.293 361 2HH2 ARG 61 HH22 ARG 61 2.783 -12.470 -6.021 362 H THR 62 HN THR 62 0.800 -6.458 -4.100 363 HA THR 62 HA THR 62 3.070 -5.092 -2.787 364 HB THR 62 HB THR 62 2.078 -4.410 -5.553 365 HG1 THR 62 HG1 THR 62 4.060 -6.271 -4.786 366 1HG2 THR 62 HG21 THR 62 3.717 -2.916 -5.665 367 2HG2 THR 62 HG22 THR 62 4.886 -4.012 -4.930 368 3HG2 THR 62 HG23 THR 62 3.804 -3.065 -3.910 369 H PHE 63 HN PHE 63 2.411 -3.429 -1.556 370 HA PHE 63 HA PHE 63 -0.038 -2.024 -2.382 371 1HB PHE 63 HB2 PHE 63 0.011 -2.084 0.472 372 2HB PHE 63 HB1 PHE 63 -1.196 -2.747 -0.623 373 HD1 PHE 63 HD1 PHE 63 2.224 -3.614 0.601 374 HD2 PHE 63 HD2 PHE 63 -1.693 -4.967 -0.361 375 HE1 PHE 63 HE1 PHE 63 2.839 -5.886 1.318 376 HE2 PHE 63 HE2 PHE 63 -1.087 -7.242 0.353 377 HZ PHE 63 HZ PHE 63 1.181 -7.704 1.194 378 H ARG 64 HN ARG 64 -0.272 0.103 -1.489 379 HA ARG 64 HA ARG 64 2.187 1.337 -0.419 380 1HB ARG 64 HB2 ARG 64 0.253 2.654 -2.345 381 2HB ARG 64 HB1 ARG 64 1.759 3.328 -1.738 382 1HG ARG 64 HG2 ARG 64 2.993 2.263 -3.267 383 2HG ARG 64 HG1 ARG 64 2.078 0.763 -3.102 384 1HD ARG 64 HD2 ARG 64 0.301 1.682 -4.498 385 2HD ARG 64 HD1 ARG 64 1.187 3.201 -4.640 386 HE ARG 64 HE ARG 64 2.950 1.373 -5.566 387 1HH1 ARG 64 HH11 ARG 64 -0.377 2.082 -6.341 388 2HH1 ARG 64 HH12 ARG 64 -0.234 1.566 -7.989 389 1HH2 ARG 64 HH21 ARG 64 3.140 0.696 -7.733 390 2HH2 ARG 64 HH22 ARG 64 1.762 0.779 -8.778 391 H VAL 65 HN VAL 65 1.789 2.314 1.540 392 HA VAL 65 HA VAL 65 -1.046 2.847 2.153 393 HB VAL 65 HB VAL 65 -0.599 2.339 4.474 394 1HG1 VAL 65 HG11 VAL 65 -0.769 0.103 4.196 395 2HG1 VAL 65 HG12 VAL 65 0.675 0.009 3.187 396 3HG1 VAL 65 HG13 VAL 65 -0.855 0.543 2.490 397 1HG2 VAL 65 HG21 VAL 65 1.737 3.121 4.540 398 2HG2 VAL 65 HG22 VAL 65 2.222 1.704 3.608 399 3HG2 VAL 65 HG23 VAL 65 1.553 1.508 5.227 400 H TRP 66 HN TRP 66 -1.712 4.647 3.050 401 HA TRP 66 HA TRP 66 0.228 6.724 3.802 402 1HB TRP 66 HB2 TRP 66 -2.477 7.326 2.619 403 2HB TRP 66 HB1 TRP 66 -1.115 8.416 2.829 404 HD1 TRP 66 HD1 TRP 66 1.106 7.716 1.169 405 HE1 TRP 66 HE1 TRP 66 1.007 7.076 -1.322 406 HE3 TRP 66 HE3 TRP 66 -3.789 6.293 0.894 407 HZ2 TRP 66 HZ2 TRP 66 -0.906 6.099 -3.159 408 HZ3 TRP 66 HZ3 TRP 66 -4.684 5.518 -1.247 409 HH2 TRP 66 HH2 TRP 66 -3.268 5.435 -3.242 410 H TYR 67 HN TYR 67 -0.003 7.375 5.835 411 HA TYR 67 HA TYR 67 -2.623 7.066 7.146 412 1HB TYR 67 HB2 TYR 67 -1.043 5.309 7.895 413 2HB TYR 67 HB1 TYR 67 0.078 6.562 8.415 414 HD1 TYR 67 HD1 TYR 67 0.017 7.271 10.617 415 HD2 TYR 67 HD2 TYR 67 -3.448 5.451 8.946 416 HE1 TYR 67 HE1 TYR 67 -1.072 7.336 12.821 417 HE2 TYR 67 HE2 TYR 67 -4.546 5.513 11.145 418 HH TYR 67 HH TYR 67 -2.845 6.254 14.031 419 H LYS 68 HN LYS 68 -2.847 8.459 9.103 420 HA LYS 68 HA LYS 68 -2.183 11.144 8.454 421 1HB LYS 68 HB2 LYS 68 -3.629 9.773 10.667 422 2HB LYS 68 HB1 LYS 68 -3.060 11.412 10.959 423 1HG LYS 68 HG2 LYS 68 -4.597 10.829 8.475 424 2HG LYS 68 HG1 LYS 68 -5.453 10.977 10.011 425 1HD LYS 68 HD2 LYS 68 -4.636 13.201 10.331 426 2HD LYS 68 HD1 LYS 68 -3.536 13.053 8.959 427 1HE LYS 68 HE2 LYS 68 -6.545 13.171 8.907 428 2HE LYS 68 HE1 LYS 68 -5.410 14.352 8.254 429 1HZ LYS 68 HZ1 LYS 68 -4.636 12.526 6.736 430 2HZ LYS 68 HZ2 LYS 68 -6.200 13.100 6.441 431 3HZ LYS 68 HZ3 LYS 68 -5.977 11.626 7.240 432 H GLY 69 HN GLY 69 0.208 10.511 8.354 433 1HA GLY 69 HA2 GLY 69 1.592 11.826 10.392 434 2HA GLY 69 HA1 GLY 69 1.686 10.103 10.723 435 H LYS 70 HN LYS 70 1.740 9.273 7.960 436 HA LYS 70 HA LYS 70 3.821 10.557 6.547 437 1HB LYS 70 HB2 LYS 70 4.688 8.940 8.707 438 2HB LYS 70 HB1 LYS 70 5.084 8.078 7.225 439 1HG LYS 70 HG2 LYS 70 6.369 9.921 6.414 440 2HG LYS 70 HG1 LYS 70 5.826 10.948 7.742 441 1HD LYS 70 HD2 LYS 70 7.090 9.756 9.323 442 2HD LYS 70 HD1 LYS 70 7.323 8.390 8.232 443 1HE LYS 70 HE2 LYS 70 8.348 10.981 7.275 444 2HE LYS 70 HE1 LYS 70 9.173 10.309 8.680 445 1HZ LYS 70 HZ1 LYS 70 8.956 9.210 5.958 446 2HZ LYS 70 HZ2 LYS 70 9.212 8.166 7.265 447 3HZ LYS 70 HZ3 LYS 70 10.327 9.392 6.932 448 H ILE 71 HN ILE 71 4.708 9.133 4.774 449 HA ILE 71 HA ILE 71 2.704 7.140 3.940 450 HB ILE 71 HB ILE 71 2.998 7.881 1.622 451 1HG1 ILE 71 HG12 ILE 71 4.116 10.452 1.926 452 2HG1 ILE 71 HG11 ILE 71 5.197 9.353 2.775 453 1HG2 ILE 71 HG21 ILE 71 2.313 10.329 3.204 454 2HG2 ILE 71 HG22 ILE 71 1.304 8.885 3.291 455 3HG2 ILE 71 HG23 ILE 71 1.552 9.696 1.744 456 1HD1 ILE 71 HD11 ILE 71 4.531 9.509 -0.113 457 2HD1 ILE 71 HD12 ILE 71 4.964 7.943 0.576 458 3HD1 ILE 71 HD13 ILE 71 6.091 9.296 0.682 459 H MET 72 HN MET 72 3.508 5.199 3.411 460 HA MET 72 HA MET 72 6.307 5.014 2.532 461 1HB MET 72 HB2 MET 72 6.099 4.513 4.998 462 2HB MET 72 HB1 MET 72 5.106 3.129 4.562 463 1HG MET 72 HG2 MET 72 7.704 3.309 3.196 464 2HG MET 72 HG1 MET 72 7.768 3.026 4.935 465 1HE MET 72 HE1 MET 72 7.957 0.861 5.825 466 2HE MET 72 HE2 MET 72 8.991 0.565 4.426 467 3HE MET 72 HE3 MET 72 7.798 -0.640 4.913 468 H ARG 73 HN ARG 73 6.807 2.967 1.438 469 HA ARG 73 HA ARG 73 4.407 1.686 0.301 470 1HB ARG 73 HB2 ARG 73 6.967 2.254 -1.201 471 2HB ARG 73 HB1 ARG 73 5.485 1.573 -1.859 472 1HG ARG 73 HG2 ARG 73 4.780 3.606 -2.361 473 2HG ARG 73 HG1 ARG 73 4.812 4.038 -0.651 474 1HD ARG 73 HD2 ARG 73 7.331 4.078 -2.266 475 2HD ARG 73 HD1 ARG 73 6.198 5.426 -2.358 476 HE ARG 73 HE ARG 73 6.550 5.109 0.300 477 1HH1 ARG 73 HH11 ARG 73 8.774 5.456 -2.366 478 2HH1 ARG 73 HH12 ARG 73 9.993 6.231 -1.412 479 1HH2 ARG 73 HH21 ARG 73 8.153 6.130 1.558 480 2HH2 ARG 73 HH22 ARG 73 9.640 6.614 0.817 481 H ILE 74 HN ILE 74 4.352 -0.486 0.441 482 HA ILE 74 HA ILE 74 6.907 -1.870 0.982 483 HB ILE 74 HB ILE 74 5.548 -1.737 3.027 484 1HG1 ILE 74 HG12 ILE 74 5.224 -4.410 3.146 485 2HG1 ILE 74 HG11 ILE 74 6.234 -4.304 1.708 486 1HG2 ILE 74 HG21 ILE 74 3.392 -2.028 1.388 487 2HG2 ILE 74 HG22 ILE 74 3.362 -2.196 3.144 488 3HG2 ILE 74 HG23 ILE 74 3.508 -3.627 2.123 489 1HD1 ILE 74 HD11 ILE 74 8.054 -3.853 2.902 490 2HD1 ILE 74 HD12 ILE 74 7.117 -4.387 4.297 491 3HD1 ILE 74 HD13 ILE 74 7.214 -2.671 3.903 492 H LYS 75 HN LYS 75 7.395 -3.409 -0.426 493 HA LYS 75 HA LYS 75 5.212 -4.712 -1.910 494 1HB LYS 75 HB2 LYS 75 6.614 -4.747 -3.908 495 2HB LYS 75 HB1 LYS 75 6.350 -3.096 -3.362 496 1HG LYS 75 HG2 LYS 75 8.568 -3.089 -2.325 497 2HG LYS 75 HG1 LYS 75 8.832 -4.738 -2.897 498 1HD LYS 75 HD2 LYS 75 8.073 -3.398 -5.181 499 2HD LYS 75 HD1 LYS 75 9.046 -2.201 -4.322 500 1HE LYS 75 HE2 LYS 75 10.939 -3.585 -4.310 501 2HE LYS 75 HE1 LYS 75 9.995 -5.023 -4.698 502 1HZ LYS 75 HZ1 LYS 75 11.179 -4.338 -6.635 503 2HZ LYS 75 HZ2 LYS 75 10.607 -2.752 -6.507 504 3HZ LYS 75 HZ3 LYS 75 9.539 -4.006 -6.893 505 H GLY 76 HN GLY 76 5.272 -6.888 -1.989 506 1HA GLY 76 HA2 GLY 76 7.632 -8.191 -0.785 507 2HA GLY 76 HA1 GLY 76 6.002 -8.843 -0.765 508 H ASP 77 HN ASP 77 8.740 -9.752 -1.838 509 HA ASP 77 HA ASP 77 7.689 -11.134 -4.109 510 1HB ASP 77 HB2 ASP 77 8.577 -8.682 -4.785 511 2HB ASP 77 HB1 ASP 77 10.089 -9.578 -4.893 Start of MODEL 3 1 1H GLY 17 HN GLY 17 -6.876 3.437 11.333 2 1HA GLY 17 HA2 GLY 17 -8.364 5.141 9.478 3 2HA GLY 17 HA1 GLY 17 -7.347 5.939 10.666 4 H LEU 18 HN LEU 18 -7.334 3.706 7.935 5 HA LEU 18 HA LEU 18 -4.693 4.707 7.200 6 1HB LEU 18 HB2 LEU 18 -5.352 1.784 7.534 7 2HB LEU 18 HB1 LEU 18 -3.944 2.377 6.671 8 HG LEU 18 HG LEU 18 -3.603 3.646 9.026 9 1HD1 LEU 18 HD11 LEU 18 -5.295 1.256 9.545 10 2HD1 LEU 18 HD12 LEU 18 -5.278 2.825 10.349 11 3HD1 LEU 18 HD13 LEU 18 -4.004 1.650 10.680 12 1HD2 LEU 18 HD21 LEU 18 -1.899 2.362 7.917 13 2HD2 LEU 18 HD22 LEU 18 -2.738 0.855 8.285 14 3HD2 LEU 18 HD23 LEU 18 -2.029 1.810 9.587 15 H MET 19 HN MET 19 -4.870 5.454 5.192 16 HA MET 19 HA MET 19 -6.787 4.091 3.381 17 1HB MET 19 HB2 MET 19 -5.605 6.877 3.344 18 2HB MET 19 HB1 MET 19 -6.482 6.196 1.979 19 1HG MET 19 HG2 MET 19 -8.236 5.765 4.003 20 2HG MET 19 HG1 MET 19 -7.470 7.265 4.521 21 1HE MET 19 HE1 MET 19 -9.751 9.072 4.034 22 2HE MET 19 HE2 MET 19 -9.016 9.915 2.670 23 3HE MET 19 HE3 MET 19 -8.004 9.297 3.975 24 H VAL 20 HN VAL 20 -5.908 2.817 1.850 25 HA VAL 20 HA VAL 20 -3.131 3.392 1.052 26 HB VAL 20 HB VAL 20 -4.292 0.725 1.854 27 1HG1 VAL 20 HG11 VAL 20 -1.409 0.870 1.396 28 2HG1 VAL 20 HG12 VAL 20 -2.389 1.011 -0.062 29 3HG1 VAL 20 HG13 VAL 20 -2.565 -0.393 0.985 30 1HG2 VAL 20 HG21 VAL 20 -2.318 0.913 3.509 31 2HG2 VAL 20 HG22 VAL 20 -3.797 1.819 3.822 32 3HG2 VAL 20 HG23 VAL 20 -2.396 2.636 3.138 33 H GLU 21 HN GLU 21 -2.540 2.816 -1.053 34 HA GLU 21 HA GLU 21 -4.805 2.099 -2.825 35 1HB GLU 21 HB2 GLU 21 -3.811 3.793 -4.032 36 2HB GLU 21 HB1 GLU 21 -2.271 3.614 -3.204 37 1HG GLU 21 HG2 GLU 21 -3.091 1.511 -5.137 38 2HG GLU 21 HG1 GLU 21 -2.553 3.069 -5.762 39 H VAL 22 HN VAL 22 -4.900 -0.105 -3.314 40 HA VAL 22 HA VAL 22 -2.334 -1.526 -2.898 41 HB VAL 22 HB VAL 22 -5.027 -2.641 -2.197 42 1HG1 VAL 22 HG11 VAL 22 -2.712 -3.650 -0.768 43 2HG1 VAL 22 HG12 VAL 22 -2.550 -3.861 -2.511 44 3HG1 VAL 22 HG13 VAL 22 -3.950 -4.525 -1.670 45 1HG2 VAL 22 HG21 VAL 22 -3.703 -2.156 0.173 46 2HG2 VAL 22 HG22 VAL 22 -5.031 -1.200 -0.488 47 3HG2 VAL 22 HG23 VAL 22 -3.362 -0.717 -0.785 48 H VAL 23 HN VAL 23 -1.691 -3.069 -4.195 49 HA VAL 23 HA VAL 23 -3.631 -4.096 -6.153 50 HB VAL 23 HB VAL 23 -1.604 -4.472 -7.669 51 1HG1 VAL 23 HG11 VAL 23 -1.919 -1.549 -7.484 52 2HG1 VAL 23 HG12 VAL 23 -3.415 -2.475 -7.592 53 3HG1 VAL 23 HG13 VAL 23 -2.184 -2.639 -8.846 54 1HG2 VAL 23 HG21 VAL 23 0.199 -4.101 -6.166 55 2HG2 VAL 23 HG22 VAL 23 -0.414 -2.509 -5.718 56 3HG2 VAL 23 HG23 VAL 23 0.231 -2.782 -7.336 57 H GLU 24 HN GLU 24 -3.967 -6.089 -5.670 58 HA GLU 24 HA GLU 24 -1.822 -7.924 -5.020 59 1HB GLU 24 HB2 GLU 24 -2.927 -8.798 -3.045 60 2HB GLU 24 HB1 GLU 24 -2.616 -7.080 -2.848 61 1HG GLU 24 HG2 GLU 24 -4.959 -6.617 -3.461 62 2HG GLU 24 HG1 GLU 24 -5.248 -8.353 -3.541 63 H SER 25 HN SER 25 -2.878 -10.203 -4.656 64 HA SER 25 HA SER 25 -4.021 -11.962 -5.523 65 1HB SER 25 HB2 SER 25 -6.096 -10.201 -6.752 66 2HB SER 25 HB1 SER 25 -6.285 -11.725 -5.886 67 HG SER 25 HG SER 25 -6.348 -9.170 -4.935 68 HA PRO 26 HA PRO 26 -2.170 -11.535 -9.654 69 1HB PRO 26 HB2 PRO 26 -2.025 -14.463 -9.491 70 2HB PRO 26 HB1 PRO 26 -0.722 -13.289 -9.692 71 1HG PRO 26 HG2 PRO 26 -1.059 -14.678 -7.408 72 2HG PRO 26 HG1 PRO 26 -0.437 -13.019 -7.423 73 1HD PRO 26 HD2 PRO 26 -3.195 -14.005 -6.790 74 2HD PRO 26 HD1 PRO 26 -2.236 -12.745 -5.983 75 H ASN 27 HN ASN 27 -5.006 -12.932 -8.514 76 HA ASN 27 HA ASN 27 -6.128 -14.552 -10.308 77 1HB ASN 27 HB2 ASN 27 -7.067 -12.744 -8.371 78 2HB ASN 27 HB1 ASN 27 -7.997 -12.403 -9.825 79 1HD2 ASN 27 HD21 ASN 27 -7.107 -14.885 -7.522 80 2HD2 ASN 27 HD22 ASN 27 -8.449 -15.927 -7.837 81 H HIS 28 HN HIS 28 -7.490 -14.312 -12.173 82 HA HIS 28 HA HIS 28 -6.341 -12.986 -14.306 83 1HB HIS 28 HB2 HIS 28 -9.239 -13.798 -13.994 84 2HB HIS 28 HB1 HIS 28 -8.443 -13.427 -15.519 85 HD1 HIS 28 HD1 HIS 28 -8.385 -15.990 -12.741 86 HD2 HIS 28 HD2 HIS 28 -7.083 -15.519 -16.659 87 HE1 HIS 28 HE1 HIS 28 -7.542 -18.252 -13.445 88 HE2 HIS 28 HE2 HIS 28 -6.840 -17.962 -15.847 89 H SER 29 HN SER 29 -9.162 -11.992 -12.382 90 HA SER 29 HA SER 29 -9.362 -9.462 -13.743 91 1HB SER 29 HB2 SER 29 -11.319 -10.740 -12.749 92 2HB SER 29 HB1 SER 29 -10.725 -10.251 -11.162 93 HG SER 29 HG SER 29 -11.275 -8.396 -13.229 94 H GLU 30 HN GLU 30 -7.959 -10.696 -10.792 95 HA GLU 30 HA GLU 30 -6.554 -9.782 -9.255 96 1HB GLU 30 HB2 GLU 30 -5.373 -9.077 -11.366 97 2HB GLU 30 HB1 GLU 30 -6.196 -7.530 -11.236 98 1HG GLU 30 HG2 GLU 30 -5.122 -7.639 -8.797 99 2HG GLU 30 HG1 GLU 30 -3.949 -8.623 -9.668 100 H VAL 31 HN VAL 31 -6.491 -8.255 -7.561 101 HA VAL 31 HA VAL 31 -8.809 -6.411 -7.517 102 HB VAL 31 HB VAL 31 -7.455 -7.424 -5.053 103 1HG1 VAL 31 HG11 VAL 31 -8.900 -5.960 -4.200 104 2HG1 VAL 31 HG12 VAL 31 -10.134 -7.170 -4.547 105 3HG1 VAL 31 HG13 VAL 31 -9.825 -5.869 -5.697 106 1HG2 VAL 31 HG21 VAL 31 -8.096 -9.520 -5.474 107 2HG2 VAL 31 HG22 VAL 31 -9.009 -9.023 -6.895 108 3HG2 VAL 31 HG23 VAL 31 -9.756 -8.956 -5.300 109 H GLY 32 HN GLY 32 -7.700 -4.590 -8.256 110 1HA GLY 32 HA2 GLY 32 -5.758 -3.529 -6.367 111 2HA GLY 32 HA1 GLY 32 -5.410 -3.437 -8.097 112 H ILE 33 HN ILE 33 -6.746 -1.856 -5.573 113 HA ILE 33 HA ILE 33 -7.791 0.122 -7.331 114 HB ILE 33 HB ILE 33 -9.558 -1.845 -6.170 115 1HG1 ILE 33 HG12 ILE 33 -9.285 -1.030 -8.512 116 2HG1 ILE 33 HG11 ILE 33 -10.945 -1.210 -7.952 117 1HG2 ILE 33 HG21 ILE 33 -9.903 -0.070 -4.457 118 2HG2 ILE 33 HG22 ILE 33 -11.342 -0.503 -5.372 119 3HG2 ILE 33 HG23 ILE 33 -10.482 0.981 -5.748 120 1HD1 ILE 33 HD11 ILE 33 -9.387 1.345 -8.274 121 2HD1 ILE 33 HD12 ILE 33 -10.971 1.244 -7.505 122 3HD1 ILE 33 HD13 ILE 33 -10.787 0.815 -9.206 123 H LYS 34 HN LYS 34 -9.030 1.725 -5.901 124 HA LYS 34 HA LYS 34 -7.130 2.580 -3.872 125 1HB LYS 34 HB2 LYS 34 -9.568 3.750 -5.154 126 2HB LYS 34 HB1 LYS 34 -9.234 4.259 -3.505 127 1HG LYS 34 HG2 LYS 34 -7.147 5.187 -4.113 128 2HG LYS 34 HG1 LYS 34 -7.194 4.426 -5.704 129 1HD LYS 34 HD2 LYS 34 -9.311 5.796 -6.107 130 2HD LYS 34 HD1 LYS 34 -8.844 6.719 -4.676 131 1HE LYS 34 HE2 LYS 34 -7.975 7.915 -6.511 132 2HE LYS 34 HE1 LYS 34 -6.601 7.064 -5.806 133 1HZ LYS 34 HZ1 LYS 34 -7.143 5.277 -7.537 134 2HZ LYS 34 HZ2 LYS 34 -6.379 6.690 -8.065 135 3HZ LYS 34 HZ3 LYS 34 -8.040 6.483 -8.315 136 H GLY 35 HN GLY 35 -7.300 1.729 -1.833 137 1HA GLY 35 HA2 GLY 35 -9.956 0.831 -0.956 138 2HA GLY 35 HA1 GLY 35 -8.634 -0.314 -1.010 139 H GLU 36 HN GLU 36 -9.790 -0.291 1.204 140 HA GLU 36 HA GLU 36 -8.316 1.565 2.995 141 1HB GLU 36 HB2 GLU 36 -11.029 0.777 2.944 142 2HB GLU 36 HB1 GLU 36 -10.328 0.050 4.382 143 1HG GLU 36 HG2 GLU 36 -9.757 2.912 3.838 144 2HG GLU 36 HG1 GLU 36 -11.366 2.469 4.408 145 H VAL 37 HN VAL 37 -7.198 0.764 4.842 146 HA VAL 37 HA VAL 37 -6.747 -2.164 4.762 147 HB VAL 37 HB VAL 37 -4.445 -1.827 5.458 148 1HG1 VAL 37 HG11 VAL 37 -4.602 -2.102 3.166 149 2HG1 VAL 37 HG12 VAL 37 -3.669 -0.616 3.315 150 3HG1 VAL 37 HG13 VAL 37 -5.387 -0.543 2.925 151 1HG2 VAL 37 HG21 VAL 37 -5.136 1.094 5.254 152 2HG2 VAL 37 HG22 VAL 37 -3.478 0.490 5.264 153 3HG2 VAL 37 HG23 VAL 37 -4.526 0.215 6.655 154 H VAL 38 HN VAL 38 -7.175 -3.224 6.464 155 HA VAL 38 HA VAL 38 -6.984 -1.947 9.099 156 HB VAL 38 HB VAL 38 -8.968 -3.266 9.825 157 1HG1 VAL 38 HG11 VAL 38 -10.615 -1.855 8.321 158 2HG1 VAL 38 HG12 VAL 38 -9.115 -1.079 7.819 159 3HG1 VAL 38 HG13 VAL 38 -9.577 -1.087 9.522 160 1HG2 VAL 38 HG21 VAL 38 -10.421 -4.309 8.253 161 2HG2 VAL 38 HG22 VAL 38 -8.797 -4.926 7.947 162 3HG2 VAL 38 HG23 VAL 38 -9.487 -3.694 6.889 163 H ASP 39 HN ASP 39 -6.124 -3.226 10.682 164 HA ASP 39 HA ASP 39 -4.830 -5.667 9.817 165 1HB ASP 39 HB2 ASP 39 -3.783 -5.588 12.097 166 2HB ASP 39 HB1 ASP 39 -3.481 -4.154 11.118 167 H GLU 40 HN GLU 40 -5.862 -7.546 9.944 168 HA GLU 40 HA GLU 40 -8.282 -8.115 11.026 169 1HB GLU 40 HB2 GLU 40 -5.899 -9.751 10.383 170 2HB GLU 40 HB1 GLU 40 -7.105 -10.511 11.409 171 1HG GLU 40 HG2 GLU 40 -8.784 -9.722 9.604 172 2HG GLU 40 HG1 GLU 40 -7.351 -9.567 8.588 173 H THR 41 HN THR 41 -5.438 -9.454 12.675 174 HA THR 41 HA THR 41 -6.667 -8.689 15.241 175 HB THR 41 HB THR 41 -5.446 -10.813 16.093 176 HG1 THR 41 HG1 THR 41 -4.363 -11.157 14.057 177 1HG2 THR 41 HG21 THR 41 -7.969 -10.782 14.507 178 2HG2 THR 41 HG22 THR 41 -7.729 -10.995 16.242 179 3HG2 THR 41 HG23 THR 41 -7.333 -12.305 15.129 180 H GLN 42 HN GLN 42 -4.851 -7.059 13.917 181 HA GLN 42 HA GLN 42 -2.935 -5.881 14.248 182 1HB GLN 42 HB2 GLN 42 -3.878 -6.482 16.750 183 2HB GLN 42 HB1 GLN 42 -2.243 -7.123 16.825 184 1HG GLN 42 HG2 GLN 42 -2.571 -4.403 15.714 185 2HG GLN 42 HG1 GLN 42 -2.847 -4.608 17.444 186 1HE2 GLN 42 HE21 GLN 42 -0.578 -3.966 15.139 187 2HE2 GLN 42 HE22 GLN 42 0.851 -4.347 16.032 188 H ASN 43 HN ASN 43 -2.345 -7.597 12.524 189 HA ASN 43 HA ASN 43 0.337 -8.310 12.867 190 1HB ASN 43 HB2 ASN 43 -1.341 -10.146 14.143 191 2HB ASN 43 HB1 ASN 43 -0.895 -10.928 12.629 192 1HD2 ASN 43 HD21 ASN 43 0.749 -12.235 12.903 193 2HD2 ASN 43 HD22 ASN 43 2.127 -11.951 13.906 194 H THR 44 HN THR 44 -2.490 -9.879 11.352 195 HA THR 44 HA THR 44 -1.104 -10.005 8.808 196 HB THR 44 HB THR 44 -3.543 -10.852 8.157 197 HG1 THR 44 HG1 THR 44 -4.554 -11.794 9.936 198 1HG2 THR 44 HG21 THR 44 -2.400 -12.728 7.966 199 2HG2 THR 44 HG22 THR 44 -2.634 -13.011 9.692 200 3HG2 THR 44 HG23 THR 44 -1.197 -12.160 9.123 201 H LEU 45 HN LEU 45 -2.033 -9.045 6.825 202 HA LEU 45 HA LEU 45 -3.455 -6.546 7.501 203 1HB LEU 45 HB2 LEU 45 -1.576 -7.092 5.206 204 2HB LEU 45 HB1 LEU 45 -2.409 -5.578 5.495 205 1HD1 LEU 45 HD11 LEU 45 1.312 -5.738 6.566 206 2HD1 LEU 45 HD12 LEU 45 0.335 -4.643 5.589 207 3HD1 LEU 45 HD13 LEU 45 0.458 -6.347 5.149 208 1HD2 LEU 45 HD21 LEU 45 -2.275 -4.718 7.760 209 2HD2 LEU 45 HD22 LEU 45 -0.866 -3.846 7.155 210 3HD2 LEU 45 HD23 LEU 45 -0.745 -4.800 8.633 211 H LYS 46 HN LYS 46 -5.426 -6.299 6.744 212 HA LYS 46 HA LYS 46 -6.255 -7.921 4.423 213 1HB LYS 46 HB2 LYS 46 -7.417 -8.416 6.602 214 2HB LYS 46 HB1 LYS 46 -8.035 -6.771 6.584 215 1HG LYS 46 HG2 LYS 46 -9.446 -7.178 4.797 216 2HG LYS 46 HG1 LYS 46 -8.525 -8.586 4.262 217 1HD LYS 46 HD2 LYS 46 -10.156 -9.759 5.271 218 2HD LYS 46 HD1 LYS 46 -9.289 -9.362 6.754 219 1HE LYS 46 HE2 LYS 46 -11.701 -7.998 5.585 220 2HE LYS 46 HE1 LYS 46 -11.557 -8.812 7.142 221 1HZ LYS 46 HZ1 LYS 46 -10.560 -6.166 6.333 222 2HZ LYS 46 HZ2 LYS 46 -9.769 -7.007 7.569 223 3HZ LYS 46 HZ3 LYS 46 -11.405 -6.613 7.730 224 H ILE 47 HN ILE 47 -6.697 -6.785 2.625 225 HA ILE 47 HA ILE 47 -7.419 -3.940 2.965 226 HB ILE 47 HB ILE 47 -5.756 -4.911 0.663 227 1HG1 ILE 47 HG12 ILE 47 -3.912 -3.637 2.100 228 2HG1 ILE 47 HG11 ILE 47 -4.910 -4.207 3.434 229 1HG2 ILE 47 HG21 ILE 47 -6.999 -2.453 1.395 230 2HG2 ILE 47 HG22 ILE 47 -6.076 -2.843 -0.056 231 3HG2 ILE 47 HG23 ILE 47 -5.252 -2.231 1.376 232 1HD1 ILE 47 HD11 ILE 47 -3.725 -5.965 1.300 233 2HD1 ILE 47 HD12 ILE 47 -4.614 -6.491 2.731 234 3HD1 ILE 47 HD13 ILE 47 -3.041 -5.712 2.906 235 H MET 48 HN MET 48 -8.978 -3.129 1.620 236 HA MET 48 HA MET 48 -10.127 -5.065 -0.306 237 1HB MET 48 HB2 MET 48 -12.330 -4.196 0.177 238 2HB MET 48 HB1 MET 48 -11.568 -4.661 1.691 239 1HG MET 48 HG2 MET 48 -12.336 -2.667 2.368 240 2HG MET 48 HG1 MET 48 -10.853 -2.083 1.614 241 1HE MET 48 HE1 MET 48 -14.699 -1.858 1.682 242 2HE MET 48 HE2 MET 48 -14.460 -3.203 0.565 243 3HE MET 48 HE3 MET 48 -15.127 -1.679 -0.019 244 H THR 49 HN THR 49 -10.082 -4.413 -2.426 245 HA THR 49 HA THR 49 -10.084 -1.504 -2.872 246 HB THR 49 HB THR 49 -8.343 -1.693 -4.489 247 HG1 THR 49 HG1 THR 49 -7.368 -3.709 -4.934 248 1HG2 THR 49 HG21 THR 49 -7.860 -2.047 -1.855 249 2HG2 THR 49 HG22 THR 49 -6.618 -1.822 -3.086 250 3HG2 THR 49 HG23 THR 49 -7.048 -3.447 -2.554 251 H GLU 50 HN GLU 50 -9.678 -3.900 -5.422 252 HA GLU 50 HA GLU 50 -12.128 -2.918 -6.629 253 1HB GLU 50 HB2 GLU 50 -10.063 -3.037 -7.955 254 2HB GLU 50 HB1 GLU 50 -10.029 -4.778 -7.750 255 1HG GLU 50 HG2 GLU 50 -11.852 -5.107 -9.144 256 2HG GLU 50 HG1 GLU 50 -12.405 -3.442 -8.975 257 H LYS 51 HN LYS 51 -11.007 -6.199 -7.204 258 HA LYS 51 HA LYS 51 -13.400 -7.419 -7.400 259 1HB LYS 51 HB2 LYS 51 -10.774 -8.273 -7.245 260 2HB LYS 51 HB1 LYS 51 -11.560 -9.130 -5.926 261 1HG LYS 51 HG2 LYS 51 -13.360 -9.571 -7.847 262 2HG LYS 51 HG1 LYS 51 -11.915 -9.397 -8.844 263 1HD LYS 51 HD2 LYS 51 -12.101 -11.237 -6.466 264 2HD LYS 51 HD1 LYS 51 -12.420 -11.743 -8.125 265 1HE LYS 51 HE2 LYS 51 -10.248 -12.034 -8.475 266 2HE LYS 51 HE1 LYS 51 -9.935 -10.349 -8.059 267 1HZ LYS 51 HZ1 LYS 51 -9.995 -12.674 -6.216 268 2HZ LYS 51 HZ2 LYS 51 -9.934 -11.068 -5.689 269 3HZ LYS 51 HZ3 LYS 51 -8.664 -11.704 -6.606 270 H GLY 52 HN GLY 52 -11.882 -6.450 -4.403 271 1HA GLY 52 HA2 GLY 52 -13.930 -6.120 -2.795 272 2HA GLY 52 HA1 GLY 52 -13.917 -7.875 -2.858 273 H LEU 53 HN LEU 53 -13.303 -8.459 -0.897 274 HA LEU 53 HA LEU 53 -11.031 -7.138 0.379 275 1HB LEU 53 HB2 LEU 53 -13.409 -8.620 1.306 276 2HB LEU 53 HB1 LEU 53 -11.944 -8.881 2.235 277 HG LEU 53 HG LEU 53 -11.774 -6.363 2.439 278 1HD1 LEU 53 HD11 LEU 53 -13.486 -6.077 0.531 279 2HD1 LEU 53 HD12 LEU 53 -13.564 -4.986 1.913 280 3HD1 LEU 53 HD13 LEU 53 -14.693 -6.336 1.789 281 1HD2 LEU 53 HD21 LEU 53 -14.298 -7.108 3.756 282 2HD2 LEU 53 HD22 LEU 53 -12.793 -6.499 4.444 283 3HD2 LEU 53 HD23 LEU 53 -12.942 -8.205 4.021 284 H LYS 54 HN LYS 54 -9.117 -8.038 0.443 285 HA LYS 54 HA LYS 54 -8.853 -10.943 0.205 286 1HB LYS 54 HB2 LYS 54 -8.253 -9.792 -1.932 287 2HB LYS 54 HB1 LYS 54 -7.000 -8.918 -1.060 288 1HG LYS 54 HG2 LYS 54 -6.008 -10.757 -2.231 289 2HG LYS 54 HG1 LYS 54 -5.939 -11.078 -0.497 290 1HD LYS 54 HD2 LYS 54 -6.833 -13.070 -0.992 291 2HD LYS 54 HD1 LYS 54 -8.345 -12.192 -1.232 292 1HE LYS 54 HE2 LYS 54 -7.758 -11.904 -3.614 293 2HE LYS 54 HE1 LYS 54 -6.304 -12.866 -3.348 294 1HZ LYS 54 HZ1 LYS 54 -7.474 -14.775 -3.258 295 2HZ LYS 54 HZ2 LYS 54 -8.591 -13.903 -4.182 296 3HZ LYS 54 HZ3 LYS 54 -8.819 -14.067 -2.515 297 H VAL 55 HN VAL 55 -7.405 -11.881 1.594 298 HA VAL 55 HA VAL 55 -6.053 -10.056 3.470 299 HB VAL 55 HB VAL 55 -6.115 -11.885 5.110 300 1HG1 VAL 55 HG11 VAL 55 -8.631 -10.799 3.923 301 2HG1 VAL 55 HG12 VAL 55 -7.856 -10.417 5.462 302 3HG1 VAL 55 HG13 VAL 55 -8.721 -11.941 5.264 303 1HG2 VAL 55 HG21 VAL 55 -6.352 -13.963 4.332 304 2HG2 VAL 55 HG22 VAL 55 -6.998 -13.396 2.793 305 3HG2 VAL 55 HG23 VAL 55 -8.071 -13.608 4.176 306 H VAL 56 HN VAL 56 -3.934 -10.069 3.574 307 HA VAL 56 HA VAL 56 -2.416 -12.449 2.841 308 HB VAL 56 HB VAL 56 -1.319 -9.918 1.755 309 1HG1 VAL 56 HG11 VAL 56 -1.178 -12.824 1.241 310 2HG1 VAL 56 HG12 VAL 56 0.092 -11.599 1.208 311 3HG1 VAL 56 HG13 VAL 56 -1.007 -11.768 -0.160 312 1HG2 VAL 56 HG21 VAL 56 -3.575 -9.653 0.996 313 2HG2 VAL 56 HG22 VAL 56 -3.659 -11.341 0.494 314 3HG2 VAL 56 HG23 VAL 56 -2.606 -10.218 -0.366 315 H ALA 57 HN ALA 57 0.030 -11.928 3.171 316 HA ALA 57 HA ALA 57 0.271 -10.738 5.835 317 1HB ALA 57 HB1 ALA 57 2.455 -11.950 5.892 318 2HB ALA 57 HB2 ALA 57 2.053 -12.638 4.317 319 3HB ALA 57 HB3 ALA 57 1.046 -12.998 5.719 320 H LYS 58 HN LYS 58 2.607 -9.811 6.200 321 HA LYS 58 HA LYS 58 2.827 -7.386 4.951 322 1HB LYS 58 HB2 LYS 58 5.301 -7.508 5.657 323 2HB LYS 58 HB1 LYS 58 4.074 -7.632 6.911 324 1HG LYS 58 HG2 LYS 58 4.935 -10.190 5.752 325 2HG LYS 58 HG1 LYS 58 6.171 -9.310 6.654 326 1HD LYS 58 HD2 LYS 58 3.965 -9.087 8.276 327 2HD LYS 58 HD1 LYS 58 3.790 -10.710 7.606 328 1HE LYS 58 HE2 LYS 58 6.063 -11.252 8.325 329 2HE LYS 58 HE1 LYS 58 6.245 -9.628 8.986 330 1HZ LYS 58 HZ1 LYS 58 4.827 -11.915 10.059 331 2HZ LYS 58 HZ2 LYS 58 4.015 -10.438 10.208 332 3HZ LYS 58 HZ3 LYS 58 5.564 -10.622 10.863 333 H ARG 59 HN ARG 59 3.980 -10.468 3.807 334 HA ARG 59 HA ARG 59 5.235 -9.131 1.502 335 1HB ARG 59 HB2 ARG 59 5.832 -11.688 2.932 336 2HB ARG 59 HB1 ARG 59 6.225 -11.556 1.224 337 1HG ARG 59 HG2 ARG 59 8.156 -10.670 1.867 338 2HG ARG 59 HG1 ARG 59 7.240 -9.225 2.299 339 1HD ARG 59 HD2 ARG 59 6.841 -10.724 4.503 340 2HD ARG 59 HD1 ARG 59 8.431 -11.308 4.016 341 HE ARG 59 HE ARG 59 8.207 -8.440 4.064 342 1HH1 ARG 59 HH11 ARG 59 8.906 -11.293 5.949 343 2HH1 ARG 59 HH12 ARG 59 9.853 -10.439 7.122 344 1HH2 ARG 59 HH21 ARG 59 9.453 -7.317 5.605 345 2HH2 ARG 59 HH22 ARG 59 10.164 -8.182 6.927 346 H GLY 60 HN GLY 60 5.088 -10.369 -0.573 347 1HA GLY 60 HA2 GLY 60 3.847 -12.129 -1.781 348 2HA GLY 60 HA1 GLY 60 2.457 -11.699 -0.797 349 H ARG 61 HN ARG 61 1.433 -9.662 -1.160 350 HA ARG 61 HA ARG 61 1.410 -8.939 -3.957 351 1HB ARG 61 HB2 ARG 61 -0.421 -7.340 -3.143 352 2HB ARG 61 HB1 ARG 61 -0.735 -9.065 -3.005 353 1HG ARG 61 HG2 ARG 61 -0.921 -8.960 -0.788 354 2HG ARG 61 HG1 ARG 61 0.531 -7.971 -0.629 355 1HD ARG 61 HD2 ARG 61 -1.219 -6.197 -1.723 356 2HD ARG 61 HD1 ARG 61 -2.295 -7.184 -0.734 357 HE ARG 61 HE ARG 61 -0.319 -5.319 0.185 358 1HH1 ARG 61 HH11 ARG 61 -2.138 -8.179 1.012 359 2HH1 ARG 61 HH12 ARG 61 -2.005 -7.921 2.719 360 1HH2 ARG 61 HH21 ARG 61 -0.143 -4.978 2.429 361 2HH2 ARG 61 HH22 ARG 61 -0.870 -6.105 3.524 362 H THR 62 HN THR 62 0.946 -6.353 -4.208 363 HA THR 62 HA THR 62 3.197 -5.001 -2.848 364 HB THR 62 HB THR 62 2.317 -4.576 -5.713 365 HG1 THR 62 HG1 THR 62 4.625 -5.865 -4.691 366 1HG2 THR 62 HG21 THR 62 3.371 -2.618 -4.510 367 2HG2 THR 62 HG22 THR 62 4.149 -3.147 -6.001 368 3HG2 THR 62 HG23 THR 62 4.843 -3.587 -4.440 369 H PHE 63 HN PHE 63 2.548 -3.273 -1.697 370 HA PHE 63 HA PHE 63 0.205 -1.795 -2.680 371 1HB PHE 63 HB2 PHE 63 -0.774 -1.713 -0.447 372 2HB PHE 63 HB1 PHE 63 -0.592 -3.380 -0.984 373 HD1 PHE 63 HD1 PHE 63 1.781 -4.431 -0.275 374 HD2 PHE 63 HD2 PHE 63 -0.241 -1.270 1.732 375 HE1 PHE 63 HE1 PHE 63 3.002 -4.968 1.793 376 HE2 PHE 63 HE2 PHE 63 0.975 -1.800 3.803 377 HZ PHE 63 HZ PHE 63 2.599 -3.651 3.835 378 H ARG 64 HN ARG 64 -0.036 0.326 -1.612 379 HA ARG 64 HA ARG 64 2.452 1.472 -0.523 380 1HB ARG 64 HB2 ARG 64 1.086 2.183 -2.949 381 2HB ARG 64 HB1 ARG 64 0.927 3.513 -1.810 382 1HG ARG 64 HG2 ARG 64 3.477 3.244 -1.498 383 2HG ARG 64 HG1 ARG 64 3.402 2.345 -3.014 384 1HD ARG 64 HD2 ARG 64 1.943 4.881 -3.058 385 2HD ARG 64 HD1 ARG 64 3.676 5.059 -2.791 386 HE ARG 64 HE ARG 64 3.579 3.371 -4.884 387 1HH1 ARG 64 HH11 ARG 64 2.034 6.440 -4.270 388 2HH1 ARG 64 HH12 ARG 64 1.981 6.888 -5.942 389 1HH2 ARG 64 HH21 ARG 64 3.509 3.959 -7.082 390 2HH2 ARG 64 HH22 ARG 64 2.818 5.480 -7.538 391 H VAL 65 HN VAL 65 2.080 2.300 1.503 392 HA VAL 65 HA VAL 65 -0.744 2.691 2.232 393 HB VAL 65 HB VAL 65 0.484 0.947 3.456 394 1HG1 VAL 65 HG11 VAL 65 1.973 2.878 5.096 395 2HG1 VAL 65 HG12 VAL 65 2.588 2.649 3.460 396 3HG1 VAL 65 HG13 VAL 65 2.426 1.267 4.543 397 1HG2 VAL 65 HG21 VAL 65 -1.090 3.068 4.552 398 2HG2 VAL 65 HG22 VAL 65 0.077 2.527 5.758 399 3HG2 VAL 65 HG23 VAL 65 -1.032 1.369 5.021 400 H TRP 66 HN TRP 66 -1.535 4.411 3.171 401 HA TRP 66 HA TRP 66 0.215 6.699 3.757 402 1HB TRP 66 HB2 TRP 66 -2.622 6.996 2.798 403 2HB TRP 66 HB1 TRP 66 -1.356 8.213 2.857 404 HD1 TRP 66 HD1 TRP 66 0.843 7.447 1.077 405 HE1 TRP 66 HE1 TRP 66 0.556 6.813 -1.403 406 HE3 TRP 66 HE3 TRP 66 -4.086 6.101 1.143 407 HZ2 TRP 66 HZ2 TRP 66 -1.498 5.871 -3.103 408 HZ3 TRP 66 HZ3 TRP 66 -5.139 5.347 -0.934 409 HH2 TRP 66 HH2 TRP 66 -3.874 5.245 -3.017 410 H TYR 67 HN TYR 67 0.088 7.342 5.774 411 HA TYR 67 HA TYR 67 -2.314 6.717 7.371 412 1HB TYR 67 HB2 TYR 67 0.003 5.550 7.850 413 2HB TYR 67 HB1 TYR 67 0.388 7.085 8.616 414 HD1 TYR 67 HD1 TYR 67 -1.228 3.922 8.985 415 HD2 TYR 67 HD2 TYR 67 -1.155 7.900 10.486 416 HE1 TYR 67 HE1 TYR 67 -2.353 3.162 11.035 417 HE2 TYR 67 HE2 TYR 67 -2.282 7.152 12.540 418 HH TYR 67 HH TYR 67 -3.682 4.035 12.838 419 H LYS 68 HN LYS 68 -2.746 8.261 9.128 420 HA LYS 68 HA LYS 68 -2.573 10.942 8.219 421 1HB LYS 68 HB2 LYS 68 -4.215 9.624 9.935 422 2HB LYS 68 HB1 LYS 68 -3.199 10.500 11.072 423 1HG LYS 68 HG2 LYS 68 -3.735 12.590 9.807 424 2HG LYS 68 HG1 LYS 68 -4.906 11.650 8.879 425 1HD LYS 68 HD2 LYS 68 -6.330 12.330 10.492 426 2HD LYS 68 HD1 LYS 68 -5.630 10.982 11.392 427 1HE LYS 68 HE2 LYS 68 -4.329 12.359 12.704 428 2HE LYS 68 HE1 LYS 68 -4.313 13.657 11.509 429 1HZ LYS 68 HZ1 LYS 68 -6.355 14.415 12.172 430 2HZ LYS 68 HZ2 LYS 68 -5.742 13.869 13.651 431 3HZ LYS 68 HZ3 LYS 68 -6.851 12.921 12.794 432 H GLY 69 HN GLY 69 -0.111 10.716 8.032 433 1HA GLY 69 HA2 GLY 69 1.139 12.465 9.769 434 2HA GLY 69 HA1 GLY 69 1.465 10.858 10.400 435 H LYS 70 HN LYS 70 1.885 9.350 8.187 436 HA LYS 70 HA LYS 70 3.790 10.719 6.469 437 1HB LYS 70 HB2 LYS 70 4.659 9.360 8.779 438 2HB LYS 70 HB1 LYS 70 5.055 8.313 7.424 439 1HG LYS 70 HG2 LYS 70 5.744 11.095 6.931 440 2HG LYS 70 HG1 LYS 70 6.555 10.424 8.347 441 1HD LYS 70 HD2 LYS 70 7.289 8.505 6.950 442 2HD LYS 70 HD1 LYS 70 6.578 9.305 5.546 443 1HE LYS 70 HE2 LYS 70 8.958 9.738 5.623 444 2HE LYS 70 HE1 LYS 70 8.069 11.230 5.921 445 1HZ LYS 70 HZ1 LYS 70 8.809 9.680 8.268 446 2HZ LYS 70 HZ2 LYS 70 8.808 11.354 8.032 447 3HZ LYS 70 HZ3 LYS 70 10.082 10.417 7.433 448 H ILE 71 HN ILE 71 4.714 9.189 4.806 449 HA ILE 71 HA ILE 71 2.811 7.031 4.178 450 HB ILE 71 HB ILE 71 3.045 7.611 1.777 451 1HG1 ILE 71 HG12 ILE 71 4.294 10.171 2.790 452 2HG1 ILE 71 HG11 ILE 71 5.203 8.856 2.053 453 1HG2 ILE 71 HG21 ILE 71 1.433 9.349 1.794 454 2HG2 ILE 71 HG22 ILE 71 1.994 9.946 3.356 455 3HG2 ILE 71 HG23 ILE 71 1.160 8.396 3.253 456 1HD1 ILE 71 HD11 ILE 71 4.373 9.280 -0.042 457 2HD1 ILE 71 HD12 ILE 71 4.463 10.904 0.637 458 3HD1 ILE 71 HD13 ILE 71 2.916 10.059 0.574 459 H MET 72 HN MET 72 3.660 5.155 3.428 460 HA MET 72 HA MET 72 6.502 5.082 2.698 461 1HB MET 72 HB2 MET 72 6.203 4.453 5.114 462 2HB MET 72 HB1 MET 72 5.233 3.088 4.578 463 1HG MET 72 HG2 MET 72 7.474 2.366 5.057 464 2HG MET 72 HG1 MET 72 7.158 2.227 3.329 465 1HE MET 72 HE1 MET 72 9.274 3.688 6.110 466 2HE MET 72 HE2 MET 72 8.347 5.154 5.796 467 3HE MET 72 HE3 MET 72 10.066 5.097 5.406 468 H ARG 73 HN ARG 73 7.112 3.089 1.544 469 HA ARG 73 HA ARG 73 4.810 1.932 0.102 470 1HB ARG 73 HB2 ARG 73 6.543 3.472 -1.115 471 2HB ARG 73 HB1 ARG 73 7.567 2.042 -1.073 472 1HG ARG 73 HG2 ARG 73 5.127 1.114 -2.016 473 2HG ARG 73 HG1 ARG 73 5.346 2.677 -2.807 474 1HD ARG 73 HD2 ARG 73 7.325 2.014 -3.839 475 2HD ARG 73 HD1 ARG 73 7.580 0.683 -2.713 476 HE ARG 73 HE ARG 73 5.299 -0.022 -3.968 477 1HH1 ARG 73 HH11 ARG 73 8.431 0.982 -5.137 478 2HH1 ARG 73 HH12 ARG 73 8.322 0.055 -6.596 479 1HH2 ARG 73 HH21 ARG 73 5.155 -1.241 -5.886 480 2HH2 ARG 73 HH22 ARG 73 6.463 -1.207 -7.021 481 H ILE 74 HN ILE 74 4.568 -0.242 0.189 482 HA ILE 74 HA ILE 74 6.896 -1.812 1.112 483 HB ILE 74 HB ILE 74 4.020 -2.404 1.797 484 1HG1 ILE 74 HG12 ILE 74 5.270 -1.804 4.161 485 2HG1 ILE 74 HG11 ILE 74 6.006 -0.642 3.061 486 1HG2 ILE 74 HG21 ILE 74 4.729 -4.271 2.838 487 2HG2 ILE 74 HG22 ILE 74 6.237 -3.530 3.372 488 3HG2 ILE 74 HG23 ILE 74 6.087 -4.133 1.723 489 1HD1 ILE 74 HD11 ILE 74 4.187 0.505 3.892 490 2HD1 ILE 74 HD12 ILE 74 3.150 -0.923 3.874 491 3HD1 ILE 74 HD13 ILE 74 3.578 -0.125 2.361 492 H LYS 75 HN LYS 75 7.513 -3.359 -0.228 493 HA LYS 75 HA LYS 75 5.527 -4.508 -2.075 494 1HB LYS 75 HB2 LYS 75 7.464 -4.780 -3.695 495 2HB LYS 75 HB1 LYS 75 6.877 -3.141 -3.456 496 1HG LYS 75 HG2 LYS 75 9.070 -2.690 -3.269 497 2HG LYS 75 HG1 LYS 75 8.812 -3.195 -1.600 498 1HD LYS 75 HD2 LYS 75 9.297 -5.585 -2.726 499 2HD LYS 75 HD1 LYS 75 10.246 -4.553 -3.799 500 1HE LYS 75 HE2 LYS 75 10.511 -4.124 -0.874 501 2HE LYS 75 HE1 LYS 75 11.248 -5.572 -1.559 502 1HZ LYS 75 HZ1 LYS 75 11.780 -2.766 -2.370 503 2HZ LYS 75 HZ2 LYS 75 12.418 -4.125 -3.148 504 3HZ LYS 75 HZ3 LYS 75 12.837 -3.797 -1.543 505 H GLY 76 HN GLY 76 5.304 -6.651 -1.903 506 1HA GLY 76 HA2 GLY 76 7.522 -8.152 -0.638 507 2HA GLY 76 HA1 GLY 76 5.824 -8.529 -0.386 508 H ASP 77 HN ASP 77 8.319 -9.900 -1.642 509 HA ASP 77 HA ASP 77 8.688 -11.480 -3.235 510 1HB ASP 77 HB2 ASP 77 6.227 -12.011 -2.437 511 2HB ASP 77 HB1 ASP 77 5.813 -11.459 -4.057 Start of MODEL 4 1 1H GLY 17 HN GLY 17 -9.245 5.905 9.319 2 1HA GLY 17 HA2 GLY 17 -6.820 7.197 9.838 3 2HA GLY 17 HA1 GLY 17 -7.305 5.652 10.518 4 H LEU 18 HN LEU 18 -7.500 4.284 7.991 5 HA LEU 18 HA LEU 18 -4.687 4.271 7.126 6 1HB LEU 18 HB2 LEU 18 -6.362 2.054 8.176 7 2HB LEU 18 HB1 LEU 18 -5.285 1.683 6.846 8 HG LEU 18 HG LEU 18 -3.559 2.960 8.474 9 1HD1 LEU 18 HD11 LEU 18 -4.691 3.367 10.395 10 2HD1 LEU 18 HD12 LEU 18 -4.180 1.717 10.742 11 3HD1 LEU 18 HD13 LEU 18 -5.812 2.029 10.153 12 1HD2 LEU 18 HD21 LEU 18 -2.803 0.942 7.755 13 2HD2 LEU 18 HD22 LEU 18 -4.328 0.124 8.090 14 3HD2 LEU 18 HD23 LEU 18 -3.218 0.494 9.409 15 H MET 19 HN MET 19 -5.066 5.335 5.199 16 HA MET 19 HA MET 19 -6.998 4.039 3.354 17 1HB MET 19 HB2 MET 19 -6.216 6.808 3.825 18 2HB MET 19 HB1 MET 19 -6.052 6.367 2.131 19 1HG MET 19 HG2 MET 19 -8.557 5.516 3.396 20 2HG MET 19 HG1 MET 19 -8.329 7.258 3.280 21 1HE MET 19 HE1 MET 19 -6.515 7.126 0.222 22 2HE MET 19 HE2 MET 19 -7.384 8.335 1.165 23 3HE MET 19 HE3 MET 19 -7.936 7.917 -0.457 24 H VAL 20 HN VAL 20 -6.138 2.785 1.797 25 HA VAL 20 HA VAL 20 -3.330 3.274 1.052 26 HB VAL 20 HB VAL 20 -3.446 1.476 2.693 27 1HG1 VAL 20 HG11 VAL 20 -5.651 0.581 0.973 28 2HG1 VAL 20 HG12 VAL 20 -5.405 0.378 2.704 29 3HG1 VAL 20 HG13 VAL 20 -4.593 -0.695 1.566 30 1HG2 VAL 20 HG21 VAL 20 -2.643 -0.451 1.079 31 2HG2 VAL 20 HG22 VAL 20 -1.661 0.977 1.379 32 3HG2 VAL 20 HG23 VAL 20 -2.627 0.864 -0.092 33 H GLU 21 HN GLU 21 -2.720 2.742 -1.066 34 HA GLU 21 HA GLU 21 -4.957 2.059 -2.893 35 1HB GLU 21 HB2 GLU 21 -2.704 3.853 -3.171 36 2HB GLU 21 HB1 GLU 21 -2.560 2.568 -4.354 37 1HG GLU 21 HG2 GLU 21 -4.676 3.088 -5.305 38 2HG GLU 21 HG1 GLU 21 -5.047 4.217 -4.003 39 H VAL 22 HN VAL 22 -4.979 -0.133 -3.430 40 HA VAL 22 HA VAL 22 -2.356 -1.473 -3.139 41 HB VAL 22 HB VAL 22 -4.996 -2.523 -2.179 42 1HG1 VAL 22 HG11 VAL 22 -2.258 -3.679 -2.364 43 2HG1 VAL 22 HG12 VAL 22 -3.831 -4.458 -2.538 44 3HG1 VAL 22 HG13 VAL 22 -3.218 -4.058 -0.934 45 1HG2 VAL 22 HG21 VAL 22 -4.582 -1.000 -0.552 46 2HG2 VAL 22 HG22 VAL 22 -2.861 -0.913 -0.924 47 3HG2 VAL 22 HG23 VAL 22 -3.487 -2.251 0.037 48 H VAL 23 HN VAL 23 -1.849 -3.224 -4.242 49 HA VAL 23 HA VAL 23 -3.764 -4.225 -6.231 50 HB VAL 23 HB VAL 23 -0.771 -3.964 -6.646 51 1HG1 VAL 23 HG11 VAL 23 -1.220 -5.707 -8.014 52 2HG1 VAL 23 HG12 VAL 23 -1.791 -4.431 -9.090 53 3HG1 VAL 23 HG13 VAL 23 -2.941 -5.332 -8.104 54 1HG2 VAL 23 HG21 VAL 23 -2.120 -1.809 -6.700 55 2HG2 VAL 23 HG22 VAL 23 -2.906 -2.461 -8.137 56 3HG2 VAL 23 HG23 VAL 23 -1.165 -2.182 -8.135 57 H GLU 24 HN GLU 24 -4.205 -6.221 -5.706 58 HA GLU 24 HA GLU 24 -2.164 -8.072 -4.788 59 1HB GLU 24 HB2 GLU 24 -4.645 -7.369 -3.235 60 2HB GLU 24 HB1 GLU 24 -3.772 -8.874 -2.983 61 1HG GLU 24 HG2 GLU 24 -1.834 -6.872 -2.867 62 2HG GLU 24 HG1 GLU 24 -3.218 -6.240 -1.978 63 H SER 25 HN SER 25 -3.296 -10.311 -4.405 64 HA SER 25 HA SER 25 -4.518 -12.061 -5.198 65 1HB SER 25 HB2 SER 25 -6.137 -10.337 -7.029 66 2HB SER 25 HB1 SER 25 -6.630 -11.738 -6.079 67 HG SER 25 HG SER 25 -7.435 -9.734 -5.244 68 HA PRO 26 HA PRO 26 -1.845 -12.422 -8.841 69 1HB PRO 26 HB2 PRO 26 -2.345 -15.295 -8.434 70 2HB PRO 26 HB1 PRO 26 -0.812 -14.420 -8.471 71 1HG PRO 26 HG2 PRO 26 -1.813 -15.419 -6.188 72 2HG PRO 26 HG1 PRO 26 -0.903 -13.897 -6.226 73 1HD PRO 26 HD2 PRO 26 -3.864 -14.335 -6.072 74 2HD PRO 26 HD1 PRO 26 -2.852 -13.152 -5.213 75 H ASN 27 HN ASN 27 -5.056 -13.392 -8.241 76 HA ASN 27 HA ASN 27 -5.962 -14.884 -10.282 77 1HB ASN 27 HB2 ASN 27 -7.080 -12.583 -8.779 78 2HB ASN 27 HB1 ASN 27 -7.935 -13.048 -10.248 79 1HD2 ASN 27 HD21 ASN 27 -9.597 -13.443 -8.534 80 2HD2 ASN 27 HD22 ASN 27 -9.646 -15.022 -7.835 81 H HIS 28 HN HIS 28 -7.017 -14.381 -12.330 82 HA HIS 28 HA HIS 28 -5.339 -13.041 -14.126 83 1HB HIS 28 HB2 HIS 28 -8.190 -14.001 -14.326 84 2HB HIS 28 HB1 HIS 28 -7.394 -13.190 -15.671 85 HD1 HIS 28 HD1 HIS 28 -8.355 -16.288 -15.406 86 HD2 HIS 28 HD2 HIS 28 -4.476 -14.801 -15.314 87 HE1 HIS 28 HE1 HIS 28 -6.883 -18.210 -16.084 88 HE2 HIS 28 HE2 HIS 28 -4.549 -17.260 -16.111 89 H SER 29 HN SER 29 -8.471 -12.069 -12.755 90 HA SER 29 HA SER 29 -8.188 -9.396 -13.865 91 1HB SER 29 HB2 SER 29 -10.398 -10.542 -13.873 92 2HB SER 29 HB1 SER 29 -10.386 -10.522 -12.110 93 HG SER 29 HG SER 29 -10.781 -8.427 -12.115 94 H GLU 30 HN GLU 30 -7.794 -11.093 -10.868 95 HA GLU 30 HA GLU 30 -7.255 -10.450 -8.749 96 1HB GLU 30 HB2 GLU 30 -5.300 -9.067 -8.601 97 2HB GLU 30 HB1 GLU 30 -5.158 -10.075 -10.033 98 1HG GLU 30 HG2 GLU 30 -6.311 -7.365 -10.371 99 2HG GLU 30 HG1 GLU 30 -4.586 -7.492 -10.042 100 H VAL 31 HN VAL 31 -6.654 -8.166 -7.472 101 HA VAL 31 HA VAL 31 -8.851 -6.299 -8.005 102 HB VAL 31 HB VAL 31 -9.611 -7.879 -6.288 103 1HG1 VAL 31 HG11 VAL 31 -7.085 -7.835 -5.315 104 2HG1 VAL 31 HG12 VAL 31 -8.489 -8.394 -4.403 105 3HG1 VAL 31 HG13 VAL 31 -7.897 -6.746 -4.191 106 1HG2 VAL 31 HG21 VAL 31 -10.825 -6.238 -5.460 107 2HG2 VAL 31 HG22 VAL 31 -9.750 -5.114 -6.279 108 3HG2 VAL 31 HG23 VAL 31 -9.449 -5.562 -4.599 109 H GLY 32 HN GLY 32 -7.919 -4.452 -8.324 110 1HA GLY 32 HA2 GLY 32 -5.942 -3.521 -6.396 111 2HA GLY 32 HA1 GLY 32 -5.591 -3.333 -8.120 112 H ILE 33 HN ILE 33 -6.914 -1.842 -5.514 113 HA ILE 33 HA ILE 33 -7.924 0.197 -7.205 114 HB ILE 33 HB ILE 33 -9.760 -1.804 -6.237 115 1HG1 ILE 33 HG12 ILE 33 -9.257 -0.608 -8.488 116 2HG1 ILE 33 HG11 ILE 33 -10.868 -1.211 -8.143 117 1HG2 ILE 33 HG21 ILE 33 -11.544 -0.520 -5.386 118 2HG2 ILE 33 HG22 ILE 33 -10.707 0.995 -5.689 119 3HG2 ILE 33 HG23 ILE 33 -10.130 -0.096 -4.430 120 1HD1 ILE 33 HD11 ILE 33 -10.313 1.272 -9.052 121 2HD1 ILE 33 HD12 ILE 33 -10.384 1.559 -7.313 122 3HD1 ILE 33 HD13 ILE 33 -11.765 0.847 -8.148 123 H LYS 34 HN LYS 34 -9.247 1.741 -5.758 124 HA LYS 34 HA LYS 34 -7.402 2.556 -3.673 125 1HB LYS 34 HB2 LYS 34 -10.132 3.717 -4.348 126 2HB LYS 34 HB1 LYS 34 -8.891 4.481 -3.367 127 1HG LYS 34 HG2 LYS 34 -8.205 5.523 -5.196 128 2HG LYS 34 HG1 LYS 34 -7.645 3.962 -5.799 129 1HD LYS 34 HD2 LYS 34 -9.026 4.796 -7.503 130 2HD LYS 34 HD1 LYS 34 -10.034 3.631 -6.646 131 1HE LYS 34 HE2 LYS 34 -11.533 5.310 -6.636 132 2HE LYS 34 HE1 LYS 34 -10.591 5.881 -5.259 133 1HZ LYS 34 HZ1 LYS 34 -11.129 7.414 -7.321 134 2HZ LYS 34 HZ2 LYS 34 -9.714 6.706 -7.919 135 3HZ LYS 34 HZ3 LYS 34 -9.680 7.557 -6.458 136 H GLY 35 HN GLY 35 -7.594 1.661 -1.678 137 1HA GLY 35 HA2 GLY 35 -10.236 0.727 -0.814 138 2HA GLY 35 HA1 GLY 35 -8.908 -0.413 -0.892 139 H GLU 36 HN GLU 36 -10.031 -0.420 1.350 140 HA GLU 36 HA GLU 36 -8.524 1.429 3.117 141 1HB GLU 36 HB2 GLU 36 -10.975 -0.194 3.819 142 2HB GLU 36 HB1 GLU 36 -10.204 1.035 4.812 143 1HG GLU 36 HG2 GLU 36 -11.532 1.530 2.157 144 2HG GLU 36 HG1 GLU 36 -12.255 1.836 3.735 145 H VAL 37 HN VAL 37 -7.373 0.651 4.895 146 HA VAL 37 HA VAL 37 -7.026 -2.285 4.975 147 HB VAL 37 HB VAL 37 -4.651 -1.765 5.803 148 1HG1 VAL 37 HG11 VAL 37 -5.660 -1.758 3.010 149 2HG1 VAL 37 HG12 VAL 37 -4.688 -2.957 3.863 150 3HG1 VAL 37 HG13 VAL 37 -3.944 -1.464 3.288 151 1HG2 VAL 37 HG21 VAL 37 -4.103 0.388 5.927 152 2HG2 VAL 37 HG22 VAL 37 -5.535 0.882 5.028 153 3HG2 VAL 37 HG23 VAL 37 -4.078 0.399 4.166 154 H VAL 38 HN VAL 38 -7.367 -3.205 6.807 155 HA VAL 38 HA VAL 38 -7.130 -1.628 9.284 156 HB VAL 38 HB VAL 38 -9.264 -3.707 8.784 157 1HG1 VAL 38 HG11 VAL 38 -9.932 -3.422 10.918 158 2HG1 VAL 38 HG12 VAL 38 -9.536 -1.704 10.926 159 3HG1 VAL 38 HG13 VAL 38 -8.263 -2.903 11.155 160 1HG2 VAL 38 HG21 VAL 38 -9.189 -1.125 7.744 161 2HG2 VAL 38 HG22 VAL 38 -10.232 -1.009 9.161 162 3HG2 VAL 38 HG23 VAL 38 -10.601 -2.170 7.885 163 H ASP 39 HN ASP 39 -6.079 -2.619 10.926 164 HA ASP 39 HA ASP 39 -4.815 -5.162 10.372 165 1HB ASP 39 HB2 ASP 39 -4.465 -3.015 12.429 166 2HB ASP 39 HB1 ASP 39 -3.838 -4.625 12.765 167 H GLU 40 HN GLU 40 -5.846 -6.989 10.831 168 HA GLU 40 HA GLU 40 -8.160 -7.350 12.225 169 1HB GLU 40 HB2 GLU 40 -6.461 -9.003 10.910 170 2HB GLU 40 HB1 GLU 40 -6.216 -9.545 12.564 171 1HG GLU 40 HG2 GLU 40 -7.908 -10.900 11.611 172 2HG GLU 40 HG1 GLU 40 -8.687 -9.814 12.762 173 H THR 41 HN THR 41 -4.876 -7.573 13.553 174 HA THR 41 HA THR 41 -5.781 -6.725 16.136 175 HB THR 41 HB THR 41 -4.643 -9.517 15.929 176 HG1 THR 41 HG1 THR 41 -6.631 -10.274 16.022 177 1HG2 THR 41 HG21 THR 41 -6.106 -8.500 18.301 178 2HG2 THR 41 HG22 THR 41 -4.423 -8.026 18.073 179 3HG2 THR 41 HG23 THR 41 -4.850 -9.733 18.185 180 H GLN 42 HN GLN 42 -4.034 -5.480 14.543 181 HA GLN 42 HA GLN 42 -1.948 -4.579 14.434 182 1HB GLN 42 HB2 GLN 42 -2.001 -5.689 17.225 183 2HB GLN 42 HB1 GLN 42 -0.547 -4.928 16.595 184 1HG GLN 42 HG2 GLN 42 -1.473 -2.847 16.574 185 2HG GLN 42 HG1 GLN 42 -3.112 -3.457 16.349 186 1HE2 GLN 42 HE21 GLN 42 -4.275 -2.784 18.003 187 2HE2 GLN 42 HE22 GLN 42 -3.830 -2.891 19.669 188 H ASN 43 HN ASN 43 -1.974 -6.620 12.868 189 HA ASN 43 HA ASN 43 0.663 -7.608 12.833 190 1HB ASN 43 HB2 ASN 43 -1.287 -9.236 14.281 191 2HB ASN 43 HB1 ASN 43 -0.487 -10.119 12.984 192 1HD2 ASN 43 HD21 ASN 43 2.004 -9.163 12.964 193 2HD2 ASN 43 HD22 ASN 43 2.795 -9.461 14.471 194 H THR 44 HN THR 44 -2.353 -9.290 11.982 195 HA THR 44 HA THR 44 -1.488 -9.572 9.250 196 HB THR 44 HB THR 44 -2.733 -11.400 10.146 197 HG1 THR 44 HG1 THR 44 -3.311 -11.008 8.030 198 1HG2 THR 44 HG21 THR 44 -4.428 -9.328 11.293 199 2HG2 THR 44 HG22 THR 44 -4.126 -10.981 11.829 200 3HG2 THR 44 HG23 THR 44 -5.322 -10.667 10.571 201 H LEU 45 HN LEU 45 -2.246 -8.464 7.458 202 HA LEU 45 HA LEU 45 -3.961 -6.146 8.090 203 1HB LEU 45 HB2 LEU 45 -1.446 -6.396 6.650 204 2HB LEU 45 HB1 LEU 45 -2.668 -5.561 5.712 205 1HD1 LEU 45 HD11 LEU 45 -0.534 -3.699 6.242 206 2HD1 LEU 45 HD12 LEU 45 0.032 -4.927 7.373 207 3HD1 LEU 45 HD13 LEU 45 -0.376 -3.314 7.955 208 1HD2 LEU 45 HD21 LEU 45 -3.988 -3.595 7.575 209 2HD2 LEU 45 HD22 LEU 45 -3.195 -3.467 6.004 210 3HD2 LEU 45 HD23 LEU 45 -2.643 -2.475 7.353 211 H LYS 46 HN LYS 46 -5.863 -6.047 7.154 212 HA LYS 46 HA LYS 46 -6.374 -7.732 4.802 213 1HB LYS 46 HB2 LYS 46 -8.759 -7.555 5.409 214 2HB LYS 46 HB1 LYS 46 -7.805 -8.263 6.705 215 1HG LYS 46 HG2 LYS 46 -8.512 -6.717 8.119 216 2HG LYS 46 HG1 LYS 46 -7.908 -5.435 7.069 217 1HD LYS 46 HD2 LYS 46 -9.961 -4.930 6.340 218 2HD LYS 46 HD1 LYS 46 -10.371 -6.625 6.074 219 1HE LYS 46 HE2 LYS 46 -11.127 -6.907 8.264 220 2HE LYS 46 HE1 LYS 46 -10.284 -5.470 8.839 221 1HZ LYS 46 HZ1 LYS 46 -12.758 -5.616 7.223 222 2HZ LYS 46 HZ2 LYS 46 -11.849 -4.195 7.331 223 3HZ LYS 46 HZ3 LYS 46 -12.527 -4.872 8.726 224 H ILE 47 HN ILE 47 -6.631 -6.743 2.916 225 HA ILE 47 HA ILE 47 -7.316 -3.875 2.917 226 HB ILE 47 HB ILE 47 -5.074 -3.967 2.239 227 1HG1 ILE 47 HG12 ILE 47 -5.092 -3.284 -0.083 228 2HG1 ILE 47 HG11 ILE 47 -6.616 -4.111 -0.358 229 1HG2 ILE 47 HG21 ILE 47 -4.381 -6.079 1.860 230 2HG2 ILE 47 HG22 ILE 47 -4.607 -5.610 0.176 231 3HG2 ILE 47 HG23 ILE 47 -5.861 -6.527 1.011 232 1HD1 ILE 47 HD11 ILE 47 -7.040 -2.300 1.750 233 2HD1 ILE 47 HD12 ILE 47 -7.679 -2.238 0.109 234 3HD1 ILE 47 HD13 ILE 47 -6.156 -1.439 0.494 235 H MET 48 HN MET 48 -9.030 -3.286 1.708 236 HA MET 48 HA MET 48 -10.005 -5.250 -0.288 237 1HB MET 48 HB2 MET 48 -12.295 -4.604 0.256 238 2HB MET 48 HB1 MET 48 -11.472 -5.177 1.699 239 1HG MET 48 HG2 MET 48 -12.088 -3.329 2.729 240 2HG MET 48 HG1 MET 48 -11.042 -2.417 1.644 241 1HE MET 48 HE1 MET 48 -14.521 -3.822 2.356 242 2HE MET 48 HE2 MET 48 -15.566 -2.531 1.761 243 3HE MET 48 HE3 MET 48 -14.446 -2.219 3.089 244 H THR 49 HN THR 49 -10.074 -4.430 -2.404 245 HA THR 49 HA THR 49 -10.035 -1.477 -2.543 246 HB THR 49 HB THR 49 -8.684 -1.594 -4.409 247 HG1 THR 49 HG1 THR 49 -8.416 -3.509 -5.637 248 1HG2 THR 49 HG21 THR 49 -7.523 -4.110 -3.575 249 2HG2 THR 49 HG22 THR 49 -7.823 -3.004 -2.235 250 3HG2 THR 49 HG23 THR 49 -6.830 -2.488 -3.599 251 H GLU 50 HN GLU 50 -10.792 -3.656 -5.241 252 HA GLU 50 HA GLU 50 -13.553 -2.633 -5.176 253 1HB GLU 50 HB2 GLU 50 -12.295 -1.351 -6.835 254 2HB GLU 50 HB1 GLU 50 -11.802 -2.840 -7.626 255 1HG GLU 50 HG2 GLU 50 -14.155 -3.322 -8.139 256 2HG GLU 50 HG1 GLU 50 -14.614 -1.795 -7.390 257 H LYS 51 HN LYS 51 -11.519 -4.945 -7.015 258 HA LYS 51 HA LYS 51 -13.622 -6.665 -7.691 259 1HB LYS 51 HB2 LYS 51 -10.690 -6.767 -7.721 260 2HB LYS 51 HB1 LYS 51 -11.461 -8.340 -7.578 261 1HG LYS 51 HG2 LYS 51 -11.578 -8.288 -9.801 262 2HG LYS 51 HG1 LYS 51 -12.915 -7.159 -9.571 263 1HD LYS 51 HD2 LYS 51 -10.088 -6.173 -9.662 264 2HD LYS 51 HD1 LYS 51 -10.967 -6.510 -11.154 265 1HE LYS 51 HE2 LYS 51 -12.497 -4.818 -10.787 266 2HE LYS 51 HE1 LYS 51 -12.231 -4.815 -9.045 267 1HZ LYS 51 HZ1 LYS 51 -10.679 -3.263 -9.256 268 2HZ LYS 51 HZ2 LYS 51 -11.130 -3.092 -10.876 269 3HZ LYS 51 HZ3 LYS 51 -9.858 -4.125 -10.459 270 H GLY 52 HN GLY 52 -12.395 -6.049 -4.628 271 1HA GLY 52 HA2 GLY 52 -13.961 -7.418 -3.052 272 2HA GLY 52 HA1 GLY 52 -12.948 -8.735 -3.625 273 H LEU 53 HN LEU 53 -12.557 -8.913 -1.280 274 HA LEU 53 HA LEU 53 -10.293 -7.208 -0.506 275 1HB LEU 53 HB2 LEU 53 -11.025 -7.044 1.702 276 2HB LEU 53 HB1 LEU 53 -12.476 -6.782 0.753 277 HG LEU 53 HG LEU 53 -11.734 -9.402 2.053 278 1HD1 LEU 53 HD11 LEU 53 -12.889 -8.836 3.903 279 2HD1 LEU 53 HD12 LEU 53 -14.046 -7.847 3.012 280 3HD1 LEU 53 HD13 LEU 53 -12.455 -7.198 3.415 281 1HD2 LEU 53 HD21 LEU 53 -14.285 -9.703 1.632 282 2HD2 LEU 53 HD22 LEU 53 -13.142 -9.980 0.318 283 3HD2 LEU 53 HD23 LEU 53 -14.039 -8.464 0.401 284 H LYS 54 HN LYS 54 -8.551 -8.211 0.308 285 HA LYS 54 HA LYS 54 -8.712 -11.075 0.856 286 1HB LYS 54 HB2 LYS 54 -7.087 -9.703 -1.182 287 2HB LYS 54 HB1 LYS 54 -6.204 -10.857 -0.191 288 1HG LYS 54 HG2 LYS 54 -8.744 -11.514 -1.662 289 2HG LYS 54 HG1 LYS 54 -7.126 -11.783 -2.312 290 1HD LYS 54 HD2 LYS 54 -7.852 -12.879 0.372 291 2HD LYS 54 HD1 LYS 54 -8.381 -13.716 -1.088 292 1HE LYS 54 HE2 LYS 54 -5.526 -12.898 -0.847 293 2HE LYS 54 HE1 LYS 54 -6.088 -14.300 0.062 294 1HZ LYS 54 HZ1 LYS 54 -6.430 -13.964 -2.868 295 2HZ LYS 54 HZ2 LYS 54 -6.785 -15.345 -1.957 296 3HZ LYS 54 HZ3 LYS 54 -5.180 -14.851 -2.150 297 H VAL 55 HN VAL 55 -7.203 -11.856 2.391 298 HA VAL 55 HA VAL 55 -5.953 -9.724 3.995 299 HB VAL 55 HB VAL 55 -6.088 -11.270 5.914 300 1HG1 VAL 55 HG11 VAL 55 -8.892 -11.163 5.013 301 2HG1 VAL 55 HG12 VAL 55 -8.007 -9.639 4.952 302 3HG1 VAL 55 HG13 VAL 55 -8.144 -10.521 6.474 303 1HG2 VAL 55 HG21 VAL 55 -6.113 -13.394 4.794 304 2HG2 VAL 55 HG22 VAL 55 -7.627 -12.997 3.980 305 3HG2 VAL 55 HG23 VAL 55 -7.602 -13.236 5.727 306 H VAL 56 HN VAL 56 -3.831 -9.718 4.200 307 HA VAL 56 HA VAL 56 -2.322 -12.202 3.921 308 HB VAL 56 HB VAL 56 -0.645 -10.906 2.474 309 1HG1 VAL 56 HG11 VAL 56 -1.432 -12.037 0.691 310 2HG1 VAL 56 HG12 VAL 56 -3.046 -11.337 0.827 311 3HG1 VAL 56 HG13 VAL 56 -2.579 -12.684 1.865 312 1HG2 VAL 56 HG21 VAL 56 -2.949 -9.359 1.432 313 2HG2 VAL 56 HG22 VAL 56 -1.229 -8.972 1.429 314 3HG2 VAL 56 HG23 VAL 56 -2.175 -8.773 2.904 315 H ALA 57 HN ALA 57 0.108 -11.667 4.242 316 HA ALA 57 HA ALA 57 0.302 -10.073 6.689 317 1HB ALA 57 HB1 ALA 57 1.105 -12.246 7.064 318 2HB ALA 57 HB2 ALA 57 2.558 -11.268 6.855 319 3HB ALA 57 HB3 ALA 57 1.979 -12.281 5.533 320 H LYS 58 HN LYS 58 2.655 -9.117 6.944 321 HA LYS 58 HA LYS 58 2.949 -6.877 5.481 322 1HB LYS 58 HB2 LYS 58 5.296 -6.811 6.128 323 2HB LYS 58 HB1 LYS 58 4.308 -7.408 7.455 324 1HG LYS 58 HG2 LYS 58 5.123 -9.563 7.266 325 2HG LYS 58 HG1 LYS 58 5.642 -9.328 5.597 326 1HD LYS 58 HD2 LYS 58 7.692 -8.992 6.410 327 2HD LYS 58 HD1 LYS 58 7.095 -7.444 7.014 328 1HE LYS 58 HE2 LYS 58 6.501 -9.778 8.706 329 2HE LYS 58 HE1 LYS 58 8.209 -9.364 8.565 330 1HZ LYS 58 HZ1 LYS 58 7.143 -6.963 9.004 331 2HZ LYS 58 HZ2 LYS 58 7.706 -7.972 10.238 332 3HZ LYS 58 HZ3 LYS 58 6.055 -7.926 9.873 333 H ARG 59 HN ARG 59 3.935 -10.080 4.470 334 HA ARG 59 HA ARG 59 5.076 -8.974 2.001 335 1HB ARG 59 HB2 ARG 59 5.296 -11.697 3.285 336 2HB ARG 59 HB1 ARG 59 5.878 -11.356 1.661 337 1HG ARG 59 HG2 ARG 59 6.834 -9.489 3.707 338 2HG ARG 59 HG1 ARG 59 7.365 -11.158 3.923 339 1HD ARG 59 HD2 ARG 59 7.613 -10.489 1.169 340 2HD ARG 59 HD1 ARG 59 8.357 -9.203 2.121 341 HE ARG 59 HE ARG 59 9.296 -11.904 1.816 342 1HH1 ARG 59 HH11 ARG 59 9.353 -9.064 3.845 343 2HH1 ARG 59 HH12 ARG 59 10.861 -9.475 4.592 344 1HH2 ARG 59 HH21 ARG 59 11.277 -12.447 2.799 345 2HH2 ARG 59 HH22 ARG 59 11.952 -11.396 3.998 346 H GLY 60 HN GLY 60 4.469 -9.878 -0.045 347 1HA GLY 60 HA2 GLY 60 3.014 -11.433 -1.271 348 2HA GLY 60 HA1 GLY 60 1.803 -11.152 -0.030 349 H ARG 61 HN ARG 61 2.287 -10.589 -3.118 350 HA ARG 61 HA ARG 61 1.561 -9.063 -4.651 351 1HB ARG 61 HB2 ARG 61 -0.192 -8.142 -2.367 352 2HB ARG 61 HB1 ARG 61 -0.447 -7.795 -4.070 353 1HG ARG 61 HG2 ARG 61 -0.471 -10.548 -2.852 354 2HG ARG 61 HG1 ARG 61 -1.903 -9.587 -3.229 355 1HD ARG 61 HD2 ARG 61 -1.648 -11.047 -5.052 356 2HD ARG 61 HD1 ARG 61 -1.023 -9.499 -5.613 357 HE ARG 61 HE ARG 61 0.997 -11.220 -4.520 358 1HH1 ARG 61 HH11 ARG 61 -0.824 -10.428 -7.389 359 2HH1 ARG 61 HH12 ARG 61 0.374 -11.052 -8.473 360 1HH2 ARG 61 HH21 ARG 61 2.574 -12.041 -5.944 361 2HH2 ARG 61 HH22 ARG 61 2.303 -11.969 -7.653 362 H THR 62 HN THR 62 0.864 -6.430 -4.637 363 HA THR 62 HA THR 62 3.128 -5.128 -3.239 364 HB THR 62 HB THR 62 2.092 -4.535 -6.020 365 HG1 THR 62 HG1 THR 62 4.614 -5.550 -5.217 366 1HG2 THR 62 HG21 THR 62 3.537 -2.862 -4.252 367 2HG2 THR 62 HG22 THR 62 3.105 -2.578 -5.937 368 3HG2 THR 62 HG23 THR 62 4.628 -3.375 -5.540 369 H PHE 63 HN PHE 63 2.458 -3.557 -1.877 370 HA PHE 63 HA PHE 63 0.008 -2.105 -2.615 371 1HB PHE 63 HB2 PHE 63 -0.609 -2.131 -0.147 372 2HB PHE 63 HB1 PHE 63 -0.807 -3.644 -1.022 373 HD1 PHE 63 HD1 PHE 63 1.322 -5.225 -0.928 374 HD2 PHE 63 HD2 PHE 63 0.389 -2.197 1.913 375 HE1 PHE 63 HE1 PHE 63 2.702 -6.379 0.750 376 HE2 PHE 63 HE2 PHE 63 1.769 -3.345 3.595 377 HZ PHE 63 HZ PHE 63 2.928 -5.439 3.014 378 H ARG 64 HN ARG 64 -0.158 0.024 -1.744 379 HA ARG 64 HA ARG 64 2.289 1.135 -0.512 380 1HB ARG 64 HB2 ARG 64 0.515 2.678 -2.413 381 2HB ARG 64 HB1 ARG 64 2.114 3.120 -1.828 382 1HG ARG 64 HG2 ARG 64 1.803 0.635 -3.439 383 2HG ARG 64 HG1 ARG 64 1.776 2.202 -4.251 384 1HD ARG 64 HD2 ARG 64 3.978 2.489 -3.994 385 2HD ARG 64 HD1 ARG 64 3.936 1.964 -2.312 386 HE ARG 64 HE ARG 64 3.671 -0.351 -3.674 387 1HH1 ARG 64 HH11 ARG 64 5.957 2.276 -3.886 388 2HH1 ARG 64 HH12 ARG 64 7.258 1.267 -4.422 389 1HH2 ARG 64 HH21 ARG 64 5.380 -1.681 -4.377 390 2HH2 ARG 64 HH22 ARG 64 6.930 -0.980 -4.702 391 H VAL 65 HN VAL 65 1.796 2.035 1.482 392 HA VAL 65 HA VAL 65 -1.062 2.659 1.902 393 HB VAL 65 HB VAL 65 -0.365 0.687 3.122 394 1HG1 VAL 65 HG11 VAL 65 2.035 1.441 3.343 395 2HG1 VAL 65 HG12 VAL 65 1.329 0.675 4.765 396 3HG1 VAL 65 HG13 VAL 65 1.505 2.429 4.703 397 1HG2 VAL 65 HG21 VAL 65 -1.347 1.232 5.179 398 2HG2 VAL 65 HG22 VAL 65 -2.017 2.407 4.048 399 3HG2 VAL 65 HG23 VAL 65 -0.720 2.879 5.143 400 H TRP 66 HN TRP 66 -1.743 4.276 3.098 401 HA TRP 66 HA TRP 66 0.152 6.350 3.957 402 1HB TRP 66 HB2 TRP 66 -2.617 6.984 2.977 403 2HB TRP 66 HB1 TRP 66 -1.234 8.056 3.132 404 HD1 TRP 66 HD1 TRP 66 0.835 7.456 1.266 405 HE1 TRP 66 HE1 TRP 66 0.538 6.960 -1.240 406 HE3 TRP 66 HE3 TRP 66 -4.083 6.016 1.283 407 HZ2 TRP 66 HZ2 TRP 66 -1.510 6.090 -2.977 408 HZ3 TRP 66 HZ3 TRP 66 -5.129 5.377 -0.834 409 HH2 TRP 66 HH2 TRP 66 -3.868 5.417 -2.920 410 H TYR 67 HN TYR 67 -0.019 6.826 6.044 411 HA TYR 67 HA TYR 67 -2.493 6.111 7.479 412 1HB TYR 67 HB2 TYR 67 0.106 6.622 8.884 413 2HB TYR 67 HB1 TYR 67 -1.255 5.632 9.394 414 HD1 TYR 67 HD1 TYR 67 -1.654 3.434 8.135 415 HD2 TYR 67 HD2 TYR 67 1.964 5.654 7.865 416 HE1 TYR 67 HE1 TYR 67 -0.482 1.417 7.356 417 HE2 TYR 67 HE2 TYR 67 3.146 3.645 7.082 418 HH TYR 67 HH TYR 67 1.761 0.522 7.240 419 H LYS 68 HN LYS 68 -2.646 7.523 9.594 420 HA LYS 68 HA LYS 68 -2.964 10.227 8.711 421 1HB LYS 68 HB2 LYS 68 -3.180 9.247 11.555 422 2HB LYS 68 HB1 LYS 68 -3.961 10.646 10.835 423 1HG LYS 68 HG2 LYS 68 -5.571 9.389 9.796 424 2HG LYS 68 HG1 LYS 68 -4.564 7.940 9.748 425 1HD LYS 68 HD2 LYS 68 -5.258 8.943 12.435 426 2HD LYS 68 HD1 LYS 68 -6.597 8.296 11.484 427 1HE LYS 68 HE2 LYS 68 -5.730 6.481 12.727 428 2HE LYS 68 HE1 LYS 68 -5.164 6.261 11.073 429 1HZ LYS 68 HZ1 LYS 68 -3.481 5.922 12.906 430 2HZ LYS 68 HZ2 LYS 68 -3.513 7.597 13.133 431 3HZ LYS 68 HZ3 LYS 68 -3.018 6.956 11.649 432 H GLY 69 HN GLY 69 -0.460 10.119 8.228 433 1HA GLY 69 HA2 GLY 69 0.813 12.050 9.713 434 2HA GLY 69 HA1 GLY 69 1.281 10.532 10.460 435 H LYS 70 HN LYS 70 2.066 8.834 8.801 436 HA LYS 70 HA LYS 70 3.743 10.191 6.791 437 1HB LYS 70 HB2 LYS 70 4.459 8.123 8.833 438 2HB LYS 70 HB1 LYS 70 5.340 8.179 7.312 439 1HG LYS 70 HG2 LYS 70 6.091 10.399 7.742 440 2HG LYS 70 HG1 LYS 70 5.030 10.544 9.145 441 1HD LYS 70 HD2 LYS 70 6.879 9.971 10.296 442 2HD LYS 70 HD1 LYS 70 6.444 8.332 9.807 443 1HE LYS 70 HE2 LYS 70 8.544 8.271 9.002 444 2HE LYS 70 HE1 LYS 70 7.848 9.151 7.642 445 1HZ LYS 70 HZ1 LYS 70 9.903 10.154 8.570 446 2HZ LYS 70 HZ2 LYS 70 9.066 10.468 10.007 447 3HZ LYS 70 HZ3 LYS 70 8.577 11.205 8.565 448 H ILE 71 HN ILE 71 4.639 8.615 5.144 449 HA ILE 71 HA ILE 71 2.658 6.543 4.481 450 HB ILE 71 HB ILE 71 2.845 7.135 2.116 451 1HG1 ILE 71 HG12 ILE 71 4.503 9.468 3.095 452 2HG1 ILE 71 HG11 ILE 71 5.107 8.101 2.165 453 1HG2 ILE 71 HG21 ILE 71 0.998 8.094 3.238 454 2HG2 ILE 71 HG22 ILE 71 1.699 9.380 2.255 455 3HG2 ILE 71 HG23 ILE 71 2.006 9.330 3.992 456 1HD1 ILE 71 HD11 ILE 71 3.533 8.774 0.340 457 2HD1 ILE 71 HD12 ILE 71 4.836 9.915 0.673 458 3HD1 ILE 71 HD13 ILE 71 3.206 10.241 1.261 459 H MET 72 HN MET 72 3.439 4.652 3.661 460 HA MET 72 HA MET 72 6.298 4.481 3.019 461 1HB MET 72 HB2 MET 72 5.021 3.369 5.350 462 2HB MET 72 HB1 MET 72 5.644 2.074 4.335 463 1HG MET 72 HG2 MET 72 7.644 4.057 4.462 464 2HG MET 72 HG1 MET 72 7.047 3.815 6.102 465 1HE MET 72 HE1 MET 72 9.587 3.432 4.247 466 2HE MET 72 HE2 MET 72 9.764 1.824 3.543 467 3HE MET 72 HE3 MET 72 10.464 2.177 5.122 468 H ARG 73 HN ARG 73 6.863 2.486 1.848 469 HA ARG 73 HA ARG 73 4.572 1.404 0.340 470 1HB ARG 73 HB2 ARG 73 7.325 1.752 -0.826 471 2HB ARG 73 HB1 ARG 73 5.814 1.452 -1.673 472 1HG ARG 73 HG2 ARG 73 5.119 3.644 -1.484 473 2HG ARG 73 HG1 ARG 73 6.158 3.964 -0.096 474 1HD ARG 73 HD2 ARG 73 7.872 3.252 -2.201 475 2HD ARG 73 HD1 ARG 73 6.680 4.348 -2.896 476 HE ARG 73 HE ARG 73 7.579 6.062 -1.665 477 1HH1 ARG 73 HH11 ARG 73 8.806 3.025 -0.459 478 2HH1 ARG 73 HH12 ARG 73 9.979 3.768 0.576 479 1HH2 ARG 73 HH21 ARG 73 9.121 7.039 -0.305 480 2HH2 ARG 73 HH22 ARG 73 10.158 6.047 0.664 481 H ILE 74 HN ILE 74 4.400 -0.764 0.276 482 HA ILE 74 HA ILE 74 6.752 -2.343 1.110 483 HB ILE 74 HB ILE 74 3.897 -3.086 1.722 484 1HG1 ILE 74 HG12 ILE 74 5.094 -2.495 4.134 485 2HG1 ILE 74 HG11 ILE 74 5.712 -1.227 3.081 486 1HG2 ILE 74 HG21 ILE 74 4.805 -4.778 3.100 487 2HG2 ILE 74 HG22 ILE 74 6.431 -4.105 2.981 488 3HG2 ILE 74 HG23 ILE 74 5.684 -4.863 1.574 489 1HD1 ILE 74 HD11 ILE 74 2.963 -1.423 2.556 490 2HD1 ILE 74 HD12 ILE 74 3.823 -0.125 3.383 491 3HD1 ILE 74 HD13 ILE 74 3.150 -1.466 4.309 492 H LYS 75 HN LYS 75 7.400 -3.801 -0.310 493 HA LYS 75 HA LYS 75 5.455 -4.861 -2.251 494 1HB LYS 75 HB2 LYS 75 7.313 -4.950 -3.908 495 2HB LYS 75 HB1 LYS 75 6.871 -3.315 -3.438 496 1HG LYS 75 HG2 LYS 75 8.804 -3.056 -2.123 497 2HG LYS 75 HG1 LYS 75 9.152 -4.785 -2.159 498 1HD LYS 75 HD2 LYS 75 10.579 -4.242 -3.808 499 2HD LYS 75 HD1 LYS 75 9.129 -4.185 -4.813 500 1HE LYS 75 HE2 LYS 75 10.456 -2.182 -5.141 501 2HE LYS 75 HE1 LYS 75 8.927 -1.780 -4.360 502 1HZ LYS 75 HZ1 LYS 75 11.186 -2.327 -2.604 503 2HZ LYS 75 HZ2 LYS 75 9.954 -1.178 -2.456 504 3HZ LYS 75 HZ3 LYS 75 11.258 -0.890 -3.495 505 H GLY 76 HN GLY 76 5.321 -7.020 -2.327 506 1HA GLY 76 HA2 GLY 76 7.189 -8.559 -0.689 507 2HA GLY 76 HA1 GLY 76 5.659 -9.128 -1.337 508 H ASP 77 HN ASP 77 8.231 -10.449 -1.405 509 HA ASP 77 HA ASP 77 9.560 -11.631 -2.822 510 1HB ASP 77 HB2 ASP 77 6.990 -11.317 -4.267 511 2HB ASP 77 HB1 ASP 77 8.367 -11.850 -5.226 Start of MODEL 5 1 1H GLY 17 HN GLY 17 -9.976 3.460 9.274 2 1HA GLY 17 HA2 GLY 17 -7.610 3.472 10.988 3 2HA GLY 17 HA1 GLY 17 -7.956 2.324 9.703 4 H LEU 18 HN LEU 18 -6.638 2.485 8.021 5 HA LEU 18 HA LEU 18 -5.601 5.153 7.323 6 1HB LEU 18 HB2 LEU 18 -4.052 2.728 6.573 7 2HB LEU 18 HB1 LEU 18 -3.491 4.345 6.934 8 HG LEU 18 HG LEU 18 -4.594 2.602 9.111 9 1HD1 LEU 18 HD11 LEU 18 -1.943 2.300 9.428 10 2HD1 LEU 18 HD12 LEU 18 -2.044 2.303 7.667 11 3HD1 LEU 18 HD13 LEU 18 -2.969 1.127 8.600 12 1HD2 LEU 18 HD21 LEU 18 -2.355 4.537 9.404 13 2HD2 LEU 18 HD22 LEU 18 -3.627 4.095 10.545 14 3HD2 LEU 18 HD23 LEU 18 -3.988 5.169 9.195 15 H MET 19 HN MET 19 -5.000 5.447 5.027 16 HA MET 19 HA MET 19 -6.843 3.885 3.308 17 1HB MET 19 HB2 MET 19 -5.729 6.597 2.630 18 2HB MET 19 HB1 MET 19 -7.140 5.796 1.955 19 1HG MET 19 HG2 MET 19 -8.153 5.999 4.286 20 2HG MET 19 HG1 MET 19 -6.843 7.129 4.622 21 1HE MET 19 HE1 MET 19 -8.617 6.807 1.044 22 2HE MET 19 HE2 MET 19 -10.065 7.755 1.387 23 3HE MET 19 HE3 MET 19 -9.766 6.252 2.261 24 H VAL 20 HN VAL 20 -5.857 2.619 1.848 25 HA VAL 20 HA VAL 20 -3.056 3.247 1.183 26 HB VAL 20 HB VAL 20 -4.278 0.576 1.864 27 1HG1 VAL 20 HG11 VAL 20 -1.376 0.701 1.535 28 2HG1 VAL 20 HG12 VAL 20 -2.302 0.857 0.042 29 3HG1 VAL 20 HG13 VAL 20 -2.521 -0.553 1.075 30 1HG2 VAL 20 HG21 VAL 20 -2.306 0.750 3.584 31 2HG2 VAL 20 HG22 VAL 20 -3.857 1.531 3.896 32 3HG2 VAL 20 HG23 VAL 20 -2.500 2.479 3.294 33 H GLU 21 HN GLU 21 -2.407 2.879 -0.937 34 HA GLU 21 HA GLU 21 -4.599 2.217 -2.802 35 1HB GLU 21 HB2 GLU 21 -1.750 3.182 -3.236 36 2HB GLU 21 HB1 GLU 21 -2.804 2.689 -4.554 37 1HG GLU 21 HG2 GLU 21 -3.587 4.750 -4.655 38 2HG GLU 21 HG1 GLU 21 -4.259 4.549 -3.037 39 H VAL 22 HN VAL 22 -4.813 0.042 -3.307 40 HA VAL 22 HA VAL 22 -2.357 -1.547 -2.889 41 HB VAL 22 HB VAL 22 -5.130 -2.459 -2.187 42 1HG1 VAL 22 HG11 VAL 22 -2.666 -3.833 -2.491 43 2HG1 VAL 22 HG12 VAL 22 -4.206 -4.463 -1.906 44 3HG1 VAL 22 HG13 VAL 22 -3.041 -3.786 -0.768 45 1HG2 VAL 22 HG21 VAL 22 -3.228 -0.769 -0.756 46 2HG2 VAL 22 HG22 VAL 22 -3.755 -2.176 0.167 47 3HG2 VAL 22 HG23 VAL 22 -4.947 -1.039 -0.466 48 H VAL 23 HN VAL 23 -1.808 -3.106 -4.163 49 HA VAL 23 HA VAL 23 -3.722 -3.997 -6.205 50 HB VAL 23 HB VAL 23 -0.736 -3.802 -6.649 51 1HG1 VAL 23 HG11 VAL 23 -2.003 -5.491 -7.951 52 2HG1 VAL 23 HG12 VAL 23 -1.258 -4.246 -8.954 53 3HG1 VAL 23 HG13 VAL 23 -2.988 -4.187 -8.616 54 1HG2 VAL 23 HG21 VAL 23 -2.842 -1.768 -6.969 55 2HG2 VAL 23 HG22 VAL 23 -1.756 -1.965 -8.345 56 3HG2 VAL 23 HG23 VAL 23 -1.102 -1.580 -6.754 57 H GLU 24 HN GLU 24 -4.161 -5.996 -5.806 58 HA GLU 24 HA GLU 24 -2.131 -7.929 -5.048 59 1HB GLU 24 HB2 GLU 24 -4.649 -7.403 -3.467 60 2HB GLU 24 HB1 GLU 24 -3.673 -8.853 -3.284 61 1HG GLU 24 HG2 GLU 24 -1.850 -6.791 -3.033 62 2HG GLU 24 HG1 GLU 24 -3.284 -6.199 -2.198 63 H SER 25 HN SER 25 -3.268 -10.191 -4.880 64 HA SER 25 HA SER 25 -4.300 -11.895 -5.957 65 1HB SER 25 HB2 SER 25 -6.378 -9.973 -6.970 66 2HB SER 25 HB1 SER 25 -6.572 -11.653 -6.472 67 HG SER 25 HG SER 25 -7.358 -10.126 -4.909 68 HA PRO 26 HA PRO 26 -2.695 -11.242 -10.100 69 1HB PRO 26 HB2 PRO 26 -2.056 -13.775 -10.629 70 2HB PRO 26 HB1 PRO 26 -1.146 -12.840 -9.437 71 1HG PRO 26 HG2 PRO 26 -3.249 -14.918 -9.013 72 2HG PRO 26 HG1 PRO 26 -1.754 -14.634 -8.105 73 1HD PRO 26 HD2 PRO 26 -4.292 -13.767 -7.353 74 2HD PRO 26 HD1 PRO 26 -2.760 -13.120 -6.735 75 H ASN 27 HN ASN 27 -5.637 -12.210 -9.247 76 HA ASN 27 HA ASN 27 -6.723 -13.920 -11.067 77 1HB ASN 27 HB2 ASN 27 -7.683 -11.722 -9.413 78 2HB ASN 27 HB1 ASN 27 -8.628 -11.898 -10.890 79 1HD2 ASN 27 HD21 ASN 27 -7.037 -14.226 -8.738 80 2HD2 ASN 27 HD22 ASN 27 -8.451 -15.170 -8.433 81 H HIS 28 HN HIS 28 -8.216 -13.329 -12.935 82 HA HIS 28 HA HIS 28 -6.725 -12.303 -15.061 83 1HB HIS 28 HB2 HIS 28 -9.683 -12.773 -14.713 84 2HB HIS 28 HB1 HIS 28 -9.008 -12.168 -16.223 85 HD1 HIS 28 HD1 HIS 28 -6.588 -13.915 -16.606 86 HD2 HIS 28 HD2 HIS 28 -10.220 -15.375 -15.214 87 HE1 HIS 28 HE1 HIS 28 -6.564 -16.377 -17.121 88 HE2 HIS 28 HE2 HIS 28 -8.736 -17.254 -16.193 89 H SER 29 HN SER 29 -9.113 -10.788 -12.971 90 HA SER 29 HA SER 29 -8.631 -8.203 -14.281 91 1HB SER 29 HB2 SER 29 -10.739 -8.678 -12.189 92 2HB SER 29 HB1 SER 29 -10.705 -7.468 -13.472 93 HG SER 29 HG SER 29 -11.499 -10.124 -13.547 94 H GLU 30 HN GLU 30 -8.208 -9.990 -11.340 95 HA GLU 30 HA GLU 30 -7.091 -9.556 -9.410 96 1HB GLU 30 HB2 GLU 30 -5.910 -7.150 -10.788 97 2HB GLU 30 HB1 GLU 30 -5.209 -8.109 -9.492 98 1HG GLU 30 HG2 GLU 30 -4.893 -9.974 -10.984 99 2HG GLU 30 HG1 GLU 30 -5.716 -9.113 -12.284 100 H VAL 31 HN VAL 31 -6.669 -7.782 -7.722 101 HA VAL 31 HA VAL 31 -8.925 -5.876 -7.734 102 HB VAL 31 HB VAL 31 -9.472 -7.561 -6.183 103 1HG1 VAL 31 HG11 VAL 31 -6.841 -7.183 -4.792 104 2HG1 VAL 31 HG12 VAL 31 -7.156 -8.463 -5.962 105 3HG1 VAL 31 HG13 VAL 31 -8.069 -8.402 -4.456 106 1HG2 VAL 31 HG21 VAL 31 -8.841 -6.113 -3.938 107 2HG2 VAL 31 HG22 VAL 31 -10.251 -5.869 -4.969 108 3HG2 VAL 31 HG23 VAL 31 -8.794 -4.924 -5.234 109 H GLY 32 HN GLY 32 -7.813 -4.112 -8.288 110 1HA GLY 32 HA2 GLY 32 -5.855 -3.173 -6.353 111 2HA GLY 32 HA1 GLY 32 -5.471 -3.036 -8.070 112 H ILE 33 HN ILE 33 -6.805 -1.495 -5.506 113 HA ILE 33 HA ILE 33 -7.645 0.624 -7.159 114 HB ILE 33 HB ILE 33 -9.850 0.744 -6.899 115 1HG1 ILE 33 HG12 ILE 33 -10.556 -1.214 -4.911 116 2HG1 ILE 33 HG11 ILE 33 -9.489 0.009 -4.255 117 1HG2 ILE 33 HG21 ILE 33 -9.300 -2.169 -6.956 118 2HG2 ILE 33 HG22 ILE 33 -9.661 -1.086 -8.297 119 3HG2 ILE 33 HG23 ILE 33 -10.924 -1.518 -7.144 120 1HD1 ILE 33 HD11 ILE 33 -11.769 0.658 -3.907 121 2HD1 ILE 33 HD12 ILE 33 -12.132 0.443 -5.620 122 3HD1 ILE 33 HD13 ILE 33 -11.046 1.733 -5.104 123 H LYS 34 HN LYS 34 -8.996 2.114 -5.604 124 HA LYS 34 HA LYS 34 -7.075 2.782 -3.516 125 1HB LYS 34 HB2 LYS 34 -9.818 4.032 -3.863 126 2HB LYS 34 HB1 LYS 34 -8.393 4.748 -3.121 127 1HG LYS 34 HG2 LYS 34 -8.118 4.020 -5.960 128 2HG LYS 34 HG1 LYS 34 -9.253 5.323 -5.604 129 1HD LYS 34 HD2 LYS 34 -7.515 6.710 -5.495 130 2HD LYS 34 HD1 LYS 34 -6.997 5.856 -4.040 131 1HE LYS 34 HE2 LYS 34 -5.492 4.523 -5.209 132 2HE LYS 34 HE1 LYS 34 -6.293 4.808 -6.753 133 1HZ LYS 34 HZ1 LYS 34 -5.556 7.263 -6.227 134 2HZ LYS 34 HZ2 LYS 34 -4.509 6.170 -6.982 135 3HZ LYS 34 HZ3 LYS 34 -4.362 6.473 -5.323 136 H GLY 35 HN GLY 35 -7.238 1.716 -1.578 137 1HA GLY 35 HA2 GLY 35 -9.885 0.639 -0.863 138 2HA GLY 35 HA1 GLY 35 -8.456 -0.371 -0.835 139 H GLU 36 HN GLU 36 -9.803 -0.494 1.291 140 HA GLU 36 HA GLU 36 -8.656 1.470 3.202 141 1HB GLU 36 HB2 GLU 36 -11.254 0.603 2.935 142 2HB GLU 36 HB1 GLU 36 -10.661 -0.383 4.264 143 1HG GLU 36 HG2 GLU 36 -9.972 2.459 4.453 144 2HG GLU 36 HG1 GLU 36 -11.698 2.109 4.515 145 H VAL 37 HN VAL 37 -7.511 0.814 5.059 146 HA VAL 37 HA VAL 37 -6.818 -2.066 5.084 147 HB VAL 37 HB VAL 37 -4.562 -1.571 5.731 148 1HG1 VAL 37 HG11 VAL 37 -5.197 0.161 3.367 149 2HG1 VAL 37 HG12 VAL 37 -5.290 -1.597 3.318 150 3HG1 VAL 37 HG13 VAL 37 -3.751 -0.806 3.656 151 1HG2 VAL 37 HG21 VAL 37 -4.861 0.443 7.010 152 2HG2 VAL 37 HG22 VAL 37 -5.391 1.324 5.577 153 3HG2 VAL 37 HG23 VAL 37 -3.724 0.767 5.701 154 H VAL 38 HN VAL 38 -7.165 -3.116 6.791 155 HA VAL 38 HA VAL 38 -7.143 -1.791 9.402 156 HB VAL 38 HB VAL 38 -9.003 -3.313 10.105 157 1HG1 VAL 38 HG11 VAL 38 -9.573 -1.051 9.718 158 2HG1 VAL 38 HG12 VAL 38 -10.798 -2.011 8.889 159 3HG1 VAL 38 HG13 VAL 38 -9.499 -1.255 7.967 160 1HG2 VAL 38 HG21 VAL 38 -10.228 -4.590 8.612 161 2HG2 VAL 38 HG22 VAL 38 -8.578 -4.813 8.028 162 3HG2 VAL 38 HG23 VAL 38 -9.660 -3.684 7.209 163 H ASP 39 HN ASP 39 -6.272 -3.009 11.037 164 HA ASP 39 HA ASP 39 -4.691 -5.296 10.213 165 1HB ASP 39 HB2 ASP 39 -4.773 -3.605 12.706 166 2HB ASP 39 HB1 ASP 39 -3.848 -5.102 12.637 167 H GLU 40 HN GLU 40 -5.443 -7.298 10.385 168 HA GLU 40 HA GLU 40 -7.848 -8.118 11.359 169 1HB GLU 40 HB2 GLU 40 -5.642 -9.370 10.271 170 2HB GLU 40 HB1 GLU 40 -5.770 -10.117 11.858 171 1HG GLU 40 HG2 GLU 40 -8.371 -10.105 10.914 172 2HG GLU 40 HG1 GLU 40 -7.397 -10.484 9.494 173 H THR 41 HN THR 41 -4.810 -7.977 13.176 174 HA THR 41 HA THR 41 -6.197 -7.564 15.640 175 HB THR 41 HB THR 41 -4.535 -10.069 15.571 176 HG1 THR 41 HG1 THR 41 -6.091 -10.725 14.252 177 1HG2 THR 41 HG21 THR 41 -4.922 -9.930 17.752 178 2HG2 THR 41 HG22 THR 41 -6.576 -10.403 17.366 179 3HG2 THR 41 HG23 THR 41 -6.166 -8.698 17.543 180 H GLN 42 HN GLN 42 -4.382 -6.006 14.321 181 HA GLN 42 HA GLN 42 -2.466 -4.819 14.614 182 1HB GLN 42 HB2 GLN 42 -2.493 -6.159 17.325 183 2HB GLN 42 HB1 GLN 42 -1.478 -4.793 16.882 184 1HG GLN 42 HG2 GLN 42 -3.158 -3.310 17.063 185 2HG GLN 42 HG1 GLN 42 -4.363 -4.433 16.435 186 1HE2 GLN 42 HE21 GLN 42 -2.923 -3.075 19.216 187 2HE2 GLN 42 HE22 GLN 42 -3.860 -3.920 20.396 188 H ASN 43 HN ASN 43 -1.972 -6.776 13.006 189 HA ASN 43 HA ASN 43 0.755 -7.423 13.420 190 1HB ASN 43 HB2 ASN 43 -0.295 -9.088 14.960 191 2HB ASN 43 HB1 ASN 43 -1.131 -9.784 13.574 192 1HD2 ASN 43 HD21 ASN 43 -0.206 -11.535 12.835 193 2HD2 ASN 43 HD22 ASN 43 1.486 -11.880 12.832 194 H THR 44 HN THR 44 -1.988 -9.080 11.851 195 HA THR 44 HA THR 44 -0.526 -9.177 9.349 196 HB THR 44 HB THR 44 -2.711 -10.288 8.564 197 HG1 THR 44 HG1 THR 44 -4.003 -11.056 10.291 198 1HG2 THR 44 HG21 THR 44 -0.531 -11.357 9.847 199 2HG2 THR 44 HG22 THR 44 -1.801 -12.258 9.018 200 3HG2 THR 44 HG23 THR 44 -1.898 -11.996 10.760 201 H LEU 45 HN LEU 45 -1.472 -8.361 7.321 202 HA LEU 45 HA LEU 45 -3.037 -5.911 7.835 203 1HB LEU 45 HB2 LEU 45 -0.628 -6.425 6.281 204 2HB LEU 45 HB1 LEU 45 -1.863 -5.608 5.343 205 1HD1 LEU 45 HD11 LEU 45 0.860 -4.964 6.276 206 2HD1 LEU 45 HD12 LEU 45 0.803 -3.564 7.349 207 3HD1 LEU 45 HD13 LEU 45 0.249 -3.419 5.681 208 1HD2 LEU 45 HD21 LEU 45 -1.858 -2.978 5.630 209 2HD2 LEU 45 HD22 LEU 45 -2.051 -2.582 7.338 210 3HD2 LEU 45 HD23 LEU 45 -3.095 -3.791 6.589 211 H LYS 46 HN LYS 46 -5.004 -5.807 7.008 212 HA LYS 46 HA LYS 46 -5.661 -7.581 4.737 213 1HB LYS 46 HB2 LYS 46 -6.800 -8.179 6.859 214 2HB LYS 46 HB1 LYS 46 -7.489 -6.565 6.927 215 1HG LYS 46 HG2 LYS 46 -8.905 -6.962 5.122 216 2HG LYS 46 HG1 LYS 46 -7.978 -8.364 4.584 217 1HD LYS 46 HD2 LYS 46 -9.770 -9.395 5.591 218 2HD LYS 46 HD1 LYS 46 -8.636 -9.313 6.939 219 1HE LYS 46 HE2 LYS 46 -9.912 -6.917 7.151 220 2HE LYS 46 HE1 LYS 46 -11.205 -7.952 6.546 221 1HZ LYS 46 HZ1 LYS 46 -9.606 -8.311 9.015 222 2HZ LYS 46 HZ2 LYS 46 -10.599 -9.524 8.380 223 3HZ LYS 46 HZ3 LYS 46 -11.275 -8.059 8.887 224 H ILE 47 HN ILE 47 -6.187 -6.528 2.891 225 HA ILE 47 HA ILE 47 -7.238 -3.780 3.156 226 HB ILE 47 HB ILE 47 -5.364 -4.584 0.946 227 1HG1 ILE 47 HG12 ILE 47 -3.882 -2.900 2.476 228 2HG1 ILE 47 HG11 ILE 47 -4.776 -3.759 3.727 229 1HG2 ILE 47 HG21 ILE 47 -6.078 -2.652 0.110 230 2HG2 ILE 47 HG22 ILE 47 -5.237 -1.850 1.436 231 3HG2 ILE 47 HG23 ILE 47 -6.946 -2.255 1.593 232 1HD1 ILE 47 HD11 ILE 47 -2.442 -4.595 2.692 233 2HD1 ILE 47 HD12 ILE 47 -3.576 -5.453 1.648 234 3HD1 ILE 47 HD13 ILE 47 -3.649 -5.670 3.398 235 H MET 48 HN MET 48 -8.781 -3.141 1.677 236 HA MET 48 HA MET 48 -9.656 -5.242 -0.220 237 1HB MET 48 HB2 MET 48 -11.111 -4.873 1.866 238 2HB MET 48 HB1 MET 48 -11.547 -3.333 1.143 239 1HG MET 48 HG2 MET 48 -12.051 -4.928 -0.936 240 2HG MET 48 HG1 MET 48 -12.319 -6.075 0.375 241 1HE MET 48 HE1 MET 48 -15.626 -4.035 -1.263 242 2HE MET 48 HE2 MET 48 -14.464 -5.278 -1.730 243 3HE MET 48 HE3 MET 48 -14.035 -3.573 -1.869 244 H THR 49 HN THR 49 -9.883 -4.628 -2.349 245 HA THR 49 HA THR 49 -10.264 -1.763 -2.848 246 HB THR 49 HB THR 49 -8.613 -2.136 -4.822 247 HG1 THR 49 HG1 THR 49 -7.714 -4.120 -3.009 248 1HG2 THR 49 HG21 THR 49 -6.686 -1.565 -3.440 249 2HG2 THR 49 HG22 THR 49 -7.601 -1.992 -1.994 250 3HG2 THR 49 HG23 THR 49 -8.113 -0.631 -2.992 251 H GLU 50 HN GLU 50 -9.554 -3.464 -5.703 252 HA GLU 50 HA GLU 50 -12.125 -3.071 -6.746 253 1HB GLU 50 HB2 GLU 50 -9.615 -3.742 -7.783 254 2HB GLU 50 HB1 GLU 50 -10.673 -5.049 -8.271 255 1HG GLU 50 HG2 GLU 50 -11.847 -2.413 -8.651 256 2HG GLU 50 HG1 GLU 50 -10.370 -2.674 -9.578 257 H LYS 51 HN LYS 51 -10.769 -6.303 -7.157 258 HA LYS 51 HA LYS 51 -13.121 -7.644 -7.283 259 1HB LYS 51 HB2 LYS 51 -10.597 -8.453 -7.432 260 2HB LYS 51 HB1 LYS 51 -10.951 -9.049 -5.814 261 1HG LYS 51 HG2 LYS 51 -13.130 -9.847 -7.332 262 2HG LYS 51 HG1 LYS 51 -11.739 -10.096 -8.389 263 1HD LYS 51 HD2 LYS 51 -10.637 -11.317 -6.494 264 2HD LYS 51 HD1 LYS 51 -12.171 -11.217 -5.625 265 1HE LYS 51 HE2 LYS 51 -12.194 -12.300 -8.393 266 2HE LYS 51 HE1 LYS 51 -11.537 -13.317 -7.111 267 1HZ LYS 51 HZ1 LYS 51 -14.177 -12.017 -6.836 268 2HZ LYS 51 HZ2 LYS 51 -13.567 -13.357 -6.002 269 3HZ LYS 51 HZ3 LYS 51 -14.009 -13.502 -7.629 270 H GLY 52 HN GLY 52 -11.225 -7.407 -4.251 271 1HA GLY 52 HA2 GLY 52 -13.466 -6.863 -2.660 272 2HA GLY 52 HA1 GLY 52 -13.217 -8.599 -2.664 273 H LEU 53 HN LEU 53 -12.519 -9.023 -0.707 274 HA LEU 53 HA LEU 53 -10.410 -7.386 0.485 275 1HB LEU 53 HB2 LEU 53 -12.768 -8.589 1.471 276 2HB LEU 53 HB1 LEU 53 -11.425 -9.412 2.238 277 HG LEU 53 HG LEU 53 -10.871 -6.642 2.363 278 1HD1 LEU 53 HD11 LEU 53 -13.122 -6.498 3.976 279 2HD1 LEU 53 HD12 LEU 53 -13.709 -7.197 2.468 280 3HD1 LEU 53 HD13 LEU 53 -12.862 -5.652 2.451 281 1HD2 LEU 53 HD21 LEU 53 -11.839 -8.471 4.548 282 2HD2 LEU 53 HD22 LEU 53 -10.841 -7.029 4.721 283 3HD2 LEU 53 HD23 LEU 53 -10.192 -8.459 3.920 284 H LYS 54 HN LYS 54 -8.423 -8.091 0.680 285 HA LYS 54 HA LYS 54 -7.861 -10.962 0.561 286 1HB LYS 54 HB2 LYS 54 -6.934 -8.857 -1.223 287 2HB LYS 54 HB1 LYS 54 -5.596 -9.721 -0.478 288 1HG LYS 54 HG2 LYS 54 -6.090 -10.792 -2.538 289 2HG LYS 54 HG1 LYS 54 -6.651 -11.851 -1.243 290 1HD LYS 54 HD2 LYS 54 -8.923 -10.636 -1.590 291 2HD LYS 54 HD1 LYS 54 -8.242 -10.185 -3.153 292 1HE LYS 54 HE2 LYS 54 -7.690 -12.736 -3.315 293 2HE LYS 54 HE1 LYS 54 -8.958 -12.886 -2.099 294 1HZ LYS 54 HZ1 LYS 54 -9.422 -11.361 -4.582 295 2HZ LYS 54 HZ2 LYS 54 -10.554 -12.080 -3.550 296 3HZ LYS 54 HZ3 LYS 54 -9.597 -13.045 -4.558 297 H VAL 55 HN VAL 55 -6.376 -11.698 2.044 298 HA VAL 55 HA VAL 55 -5.208 -9.659 3.826 299 HB VAL 55 HB VAL 55 -5.303 -11.323 5.636 300 1HG1 VAL 55 HG11 VAL 55 -7.952 -11.425 5.612 301 2HG1 VAL 55 HG12 VAL 55 -7.732 -10.295 4.275 302 3HG1 VAL 55 HG13 VAL 55 -7.077 -9.916 5.869 303 1HG2 VAL 55 HG21 VAL 55 -5.259 -13.379 4.412 304 2HG2 VAL 55 HG22 VAL 55 -6.761 -12.976 3.579 305 3HG2 VAL 55 HG23 VAL 55 -6.777 -13.315 5.310 306 H VAL 56 HN VAL 56 -3.093 -9.613 4.032 307 HA VAL 56 HA VAL 56 -1.516 -12.038 3.573 308 HB VAL 56 HB VAL 56 -0.550 -9.448 2.399 309 1HG1 VAL 56 HG11 VAL 56 0.541 -11.213 0.846 310 2HG1 VAL 56 HG12 VAL 56 0.115 -12.352 2.124 311 3HG1 VAL 56 HG13 VAL 56 1.178 -10.990 2.476 312 1HG2 VAL 56 HG21 VAL 56 -2.510 -9.590 1.175 313 2HG2 VAL 56 HG22 VAL 56 -2.531 -11.352 1.216 314 3HG2 VAL 56 HG23 VAL 56 -1.383 -10.508 0.175 315 H ALA 57 HN ALA 57 0.808 -11.702 4.287 316 HA ALA 57 HA ALA 57 0.914 -9.785 6.524 317 1HB ALA 57 HB1 ALA 57 0.752 -12.443 6.885 318 2HB ALA 57 HB2 ALA 57 1.595 -11.359 7.991 319 3HB ALA 57 HB3 ALA 57 2.502 -12.256 6.775 320 H LYS 58 HN LYS 58 2.494 -8.384 6.407 321 HA LYS 58 HA LYS 58 4.192 -7.229 5.296 322 1HB LYS 58 HB2 LYS 58 6.310 -7.928 6.295 323 2HB LYS 58 HB1 LYS 58 5.002 -7.964 7.469 324 1HG LYS 58 HG2 LYS 58 5.725 -10.454 5.996 325 2HG LYS 58 HG1 LYS 58 6.716 -9.915 7.352 326 1HD LYS 58 HD2 LYS 58 4.138 -9.681 8.312 327 2HD LYS 58 HD1 LYS 58 4.078 -11.151 7.339 328 1HE LYS 58 HE2 LYS 58 5.762 -12.188 8.606 329 2HE LYS 58 HE1 LYS 58 6.262 -10.665 9.341 330 1HZ LYS 58 HZ1 LYS 58 4.145 -10.596 10.522 331 2HZ LYS 58 HZ2 LYS 58 5.008 -12.000 10.899 332 3HZ LYS 58 HZ3 LYS 58 3.695 -12.076 9.836 333 H ARG 59 HN ARG 59 3.149 -8.962 3.306 334 HA ARG 59 HA ARG 59 5.214 -8.955 1.440 335 1HB ARG 59 HB2 ARG 59 5.897 -11.214 1.217 336 2HB ARG 59 HB1 ARG 59 6.054 -10.831 2.923 337 1HG ARG 59 HG2 ARG 59 4.949 -12.735 3.266 338 2HG ARG 59 HG1 ARG 59 3.512 -11.827 2.794 339 1HD ARG 59 HD2 ARG 59 3.289 -12.974 0.889 340 2HD ARG 59 HD1 ARG 59 5.006 -12.837 0.509 341 HE ARG 59 HE ARG 59 3.675 -15.046 1.793 342 1HH1 ARG 59 HH11 ARG 59 6.727 -13.427 1.293 343 2HH1 ARG 59 HH12 ARG 59 7.672 -14.838 1.632 344 1HH2 ARG 59 HH21 ARG 59 4.918 -16.902 2.237 345 2HH2 ARG 59 HH22 ARG 59 6.647 -16.810 2.168 346 H GLY 60 HN GLY 60 4.592 -10.984 -0.270 347 1HA GLY 60 HA2 GLY 60 3.081 -11.626 -1.866 348 2HA GLY 60 HA1 GLY 60 1.862 -11.543 -0.606 349 H ARG 61 HN ARG 61 2.359 -10.567 -3.579 350 HA ARG 61 HA ARG 61 1.555 -8.907 -4.910 351 1HB ARG 61 HB2 ARG 61 -0.151 -8.347 -2.478 352 2HB ARG 61 HB1 ARG 61 -0.431 -7.683 -4.083 353 1HG ARG 61 HG2 ARG 61 -1.907 -9.486 -3.887 354 2HG ARG 61 HG1 ARG 61 -0.587 -10.081 -4.891 355 1HD ARG 61 HD2 ARG 61 -0.318 -10.486 -1.977 356 2HD ARG 61 HD1 ARG 61 -1.578 -11.418 -2.781 357 HE ARG 61 HE ARG 61 1.166 -11.964 -2.849 358 1HH1 ARG 61 HH11 ARG 61 -1.570 -11.813 -5.015 359 2HH1 ARG 61 HH12 ARG 61 -0.900 -12.949 -6.135 360 1HH2 ARG 61 HH21 ARG 61 2.041 -13.461 -4.324 361 2HH2 ARG 61 HH22 ARG 61 1.147 -13.886 -5.744 362 H THR 62 HN THR 62 0.898 -6.316 -4.691 363 HA THR 62 HA THR 62 3.133 -5.125 -3.157 364 HB THR 62 HB THR 62 2.138 -4.306 -5.894 365 HG1 THR 62 HG1 THR 62 4.152 -5.052 -6.585 366 1HG2 THR 62 HG21 THR 62 4.707 -3.254 -5.077 367 2HG2 THR 62 HG22 THR 62 3.393 -2.693 -4.042 368 3HG2 THR 62 HG23 THR 62 3.316 -2.432 -5.785 369 H PHE 63 HN PHE 63 2.467 -3.670 -1.696 370 HA PHE 63 HA PHE 63 0.018 -2.152 -2.310 371 1HB PHE 63 HB2 PHE 63 -0.466 -2.317 0.221 372 2HB PHE 63 HB1 PHE 63 -0.821 -3.715 -0.787 373 HD1 PHE 63 HD1 PHE 63 1.058 -5.509 -0.937 374 HD2 PHE 63 HD2 PHE 63 0.773 -2.588 2.144 375 HE1 PHE 63 HE1 PHE 63 2.452 -6.917 0.522 376 HE2 PHE 63 HE2 PHE 63 2.165 -3.990 3.609 377 HZ PHE 63 HZ PHE 63 3.008 -6.158 2.799 378 H ARG 64 HN ARG 64 -0.027 -0.026 -1.446 379 HA ARG 64 HA ARG 64 2.438 0.920 -0.123 380 1HB ARG 64 HB2 ARG 64 1.824 1.606 -2.662 381 2HB ARG 64 HB1 ARG 64 0.900 2.832 -1.805 382 1HG ARG 64 HG2 ARG 64 3.786 2.361 -1.169 383 2HG ARG 64 HG1 ARG 64 3.303 3.375 -2.532 384 1HD ARG 64 HD2 ARG 64 2.136 4.878 -1.103 385 2HD ARG 64 HD1 ARG 64 2.296 3.790 0.275 386 HE ARG 64 HE ARG 64 4.361 4.674 0.664 387 1HH1 ARG 64 HH11 ARG 64 3.475 5.370 -2.640 388 2HH1 ARG 64 HH12 ARG 64 4.864 6.360 -2.935 389 1HH2 ARG 64 HH21 ARG 64 6.188 5.976 0.277 390 2HH2 ARG 64 HH22 ARG 64 6.405 6.704 -1.280 391 H VAL 65 HN VAL 65 2.000 1.753 1.852 392 HA VAL 65 HA VAL 65 -0.799 2.335 2.476 393 HB VAL 65 HB VAL 65 0.423 0.744 3.904 394 1HG1 VAL 65 HG11 VAL 65 2.510 2.494 3.734 395 2HG1 VAL 65 HG12 VAL 65 2.380 1.178 4.902 396 3HG1 VAL 65 HG13 VAL 65 1.896 2.812 5.357 397 1HG2 VAL 65 HG21 VAL 65 -0.940 3.164 4.865 398 2HG2 VAL 65 HG22 VAL 65 -0.026 2.282 6.088 399 3HG2 VAL 65 HG23 VAL 65 -1.290 1.463 5.173 400 H TRP 66 HN TRP 66 -1.580 4.253 2.774 401 HA TRP 66 HA TRP 66 0.217 6.469 3.423 402 1HB TRP 66 HB2 TRP 66 -0.317 7.551 1.552 403 2HB TRP 66 HB1 TRP 66 -1.108 6.086 1.004 404 HD1 TRP 66 HD1 TRP 66 -1.944 9.441 2.718 405 HE1 TRP 66 HE1 TRP 66 -4.373 10.051 2.130 406 HE3 TRP 66 HE3 TRP 66 -3.319 5.137 0.281 407 HZ2 TRP 66 HZ2 TRP 66 -6.568 8.881 0.801 408 HZ3 TRP 66 HZ3 TRP 66 -5.588 4.980 -0.625 409 HH2 TRP 66 HH2 TRP 66 -7.187 6.810 -0.364 410 H TYR 67 HN TYR 67 -0.293 7.541 5.189 411 HA TYR 67 HA TYR 67 -3.095 7.534 6.102 412 1HB TYR 67 HB2 TYR 67 -2.056 7.430 8.479 413 2HB TYR 67 HB1 TYR 67 -2.212 5.942 7.555 414 HD1 TYR 67 HD1 TYR 67 -0.142 5.128 6.274 415 HD2 TYR 67 HD2 TYR 67 0.020 8.088 9.325 416 HE1 TYR 67 HE1 TYR 67 2.263 4.698 6.554 417 HE2 TYR 67 HE2 TYR 67 2.426 7.668 9.613 418 HH TYR 67 HH TYR 67 3.979 5.416 9.065 419 H LYS 68 HN LYS 68 -3.403 9.186 7.915 420 HA LYS 68 HA LYS 68 -2.538 11.721 6.935 421 1HB LYS 68 HB2 LYS 68 -4.342 10.736 9.063 422 2HB LYS 68 HB1 LYS 68 -3.630 12.318 9.343 423 1HG LYS 68 HG2 LYS 68 -4.446 12.648 6.814 424 2HG LYS 68 HG1 LYS 68 -5.635 11.462 7.358 425 1HD LYS 68 HD2 LYS 68 -6.389 12.878 9.098 426 2HD LYS 68 HD1 LYS 68 -5.010 13.963 8.909 427 1HE LYS 68 HE2 LYS 68 -5.833 14.600 6.685 428 2HE LYS 68 HE1 LYS 68 -7.222 13.535 6.904 429 1HZ LYS 68 HZ1 LYS 68 -7.399 15.031 9.093 430 2HZ LYS 68 HZ2 LYS 68 -8.166 15.424 7.639 431 3HZ LYS 68 HZ3 LYS 68 -6.695 16.154 8.042 432 H GLY 69 HN GLY 69 -0.192 10.804 7.243 433 1HA GLY 69 HA2 GLY 69 1.066 12.393 9.186 434 2HA GLY 69 HA1 GLY 69 0.988 10.743 9.783 435 H LYS 70 HN LYS 70 1.389 9.313 7.416 436 HA LYS 70 HA LYS 70 3.711 10.309 6.057 437 1HB LYS 70 HB2 LYS 70 3.985 8.378 8.315 438 2HB LYS 70 HB1 LYS 70 5.034 8.191 6.916 439 1HG LYS 70 HG2 LYS 70 6.390 9.656 7.881 440 2HG LYS 70 HG1 LYS 70 5.188 10.890 7.498 441 1HD LYS 70 HD2 LYS 70 5.756 11.023 9.842 442 2HD LYS 70 HD1 LYS 70 4.095 10.447 9.674 443 1HE LYS 70 HE2 LYS 70 5.559 8.119 9.673 444 2HE LYS 70 HE1 LYS 70 6.431 9.130 10.824 445 1HZ LYS 70 HZ1 LYS 70 4.550 9.339 12.169 446 2HZ LYS 70 HZ2 LYS 70 4.556 7.707 11.722 447 3HZ LYS 70 HZ3 LYS 70 3.497 8.786 10.964 448 H ILE 71 HN ILE 71 4.650 8.739 4.559 449 HA ILE 71 HA ILE 71 2.750 6.646 3.742 450 HB ILE 71 HB ILE 71 3.471 7.166 1.365 451 1HG1 ILE 71 HG12 ILE 71 4.171 9.884 2.457 452 2HG1 ILE 71 HG11 ILE 71 5.403 8.642 2.250 453 1HG2 ILE 71 HG21 ILE 71 1.585 8.377 1.092 454 2HG2 ILE 71 HG22 ILE 71 2.035 9.557 2.322 455 3HG2 ILE 71 HG23 ILE 71 1.358 8.001 2.799 456 1HD1 ILE 71 HD11 ILE 71 5.597 9.175 0.117 457 2HD1 ILE 71 HD12 ILE 71 4.394 10.446 0.338 458 3HD1 ILE 71 HD13 ILE 71 3.888 8.828 -0.149 459 H MET 72 HN MET 72 3.627 4.692 3.496 460 HA MET 72 HA MET 72 6.510 4.448 2.972 461 1HB MET 72 HB2 MET 72 4.873 3.055 5.080 462 2HB MET 72 HB1 MET 72 6.359 2.345 4.463 463 1HG MET 72 HG2 MET 72 6.113 5.037 5.787 464 2HG MET 72 HG1 MET 72 6.726 3.564 6.540 465 1HE MET 72 HE1 MET 72 8.369 6.782 5.632 466 2HE MET 72 HE2 MET 72 9.808 5.911 6.160 467 3HE MET 72 HE3 MET 72 8.292 5.721 7.039 468 H ARG 73 HN ARG 73 7.105 2.710 1.641 469 HA ARG 73 HA ARG 73 4.842 1.423 0.272 470 1HB ARG 73 HB2 ARG 73 6.518 0.995 -1.553 471 2HB ARG 73 HB1 ARG 73 6.156 2.689 -1.257 472 1HG ARG 73 HG2 ARG 73 8.218 3.042 -0.165 473 2HG ARG 73 HG1 ARG 73 8.537 1.310 -0.058 474 1HD ARG 73 HD2 ARG 73 9.781 2.644 -1.852 475 2HD ARG 73 HD1 ARG 73 9.011 1.137 -2.338 476 HE ARG 73 HE ARG 73 8.194 3.840 -3.064 477 1HH1 ARG 73 HH11 ARG 73 7.514 0.413 -3.166 478 2HH1 ARG 73 HH12 ARG 73 6.401 0.551 -4.484 479 1HH2 ARG 73 HH21 ARG 73 6.729 4.014 -4.795 480 2HH2 ARG 73 HH22 ARG 73 5.955 2.591 -5.407 481 H ILE 74 HN ILE 74 4.496 -0.694 0.485 482 HA ILE 74 HA ILE 74 6.736 -2.377 1.416 483 HB ILE 74 HB ILE 74 3.841 -2.788 2.160 484 1HG1 ILE 74 HG12 ILE 74 6.016 -1.805 4.000 485 2HG1 ILE 74 HG11 ILE 74 4.973 -0.694 3.116 486 1HG2 ILE 74 HG21 ILE 74 6.386 -4.217 2.727 487 2HG2 ILE 74 HG22 ILE 74 4.781 -4.860 2.386 488 3HG2 ILE 74 HG23 ILE 74 5.140 -4.185 3.975 489 1HD1 ILE 74 HD11 ILE 74 4.201 -1.062 5.399 490 2HD1 ILE 74 HD12 ILE 74 4.042 -2.786 5.068 491 3HD1 ILE 74 HD13 ILE 74 3.023 -1.626 4.215 492 H LYS 75 HN LYS 75 7.216 -4.001 0.089 493 HA LYS 75 HA LYS 75 5.102 -5.083 -1.644 494 1HB LYS 75 HB2 LYS 75 6.690 -5.235 -3.500 495 2HB LYS 75 HB1 LYS 75 6.479 -3.568 -2.982 496 1HG LYS 75 HG2 LYS 75 8.586 -3.542 -1.900 497 2HG LYS 75 HG1 LYS 75 8.765 -5.290 -2.064 498 1HD LYS 75 HD2 LYS 75 9.101 -5.139 -4.394 499 2HD LYS 75 HD1 LYS 75 8.526 -3.471 -4.447 500 1HE LYS 75 HE2 LYS 75 10.997 -4.325 -2.955 501 2HE LYS 75 HE1 LYS 75 11.021 -3.776 -4.630 502 1HZ LYS 75 HZ1 LYS 75 9.714 -1.771 -3.572 503 2HZ LYS 75 HZ2 LYS 75 11.405 -1.819 -3.571 504 3HZ LYS 75 HZ3 LYS 75 10.547 -2.252 -2.180 505 H GLY 76 HN GLY 76 5.252 -7.278 -2.146 506 1HA GLY 76 HA2 GLY 76 6.874 -8.804 -0.259 507 2HA GLY 76 HA1 GLY 76 5.556 -9.427 -1.241 508 H ASP 77 HN ASP 77 7.759 -10.943 -1.106 509 HA ASP 77 HA ASP 77 8.829 -10.715 -3.818 510 1HB ASP 77 HB2 ASP 77 10.355 -9.967 -1.645 511 2HB ASP 77 HB1 ASP 77 10.844 -11.639 -1.905 Start of MODEL 6 1 1H GLY 17 HN GLY 17 -7.749 5.384 10.718 2 1HA GLY 17 HA2 GLY 17 -7.482 7.541 8.802 3 2HA GLY 17 HA1 GLY 17 -6.399 7.192 10.141 4 H LEU 18 HN LEU 18 -6.927 4.369 8.442 5 HA LEU 18 HA LEU 18 -4.327 4.624 7.139 6 1HB LEU 18 HB2 LEU 18 -5.813 2.065 7.059 7 2HB LEU 18 HB1 LEU 18 -4.104 2.363 7.308 8 HG LEU 18 HG LEU 18 -5.018 3.340 9.622 9 1HD1 LEU 18 HD11 LEU 18 -6.749 1.277 10.116 10 2HD1 LEU 18 HD12 LEU 18 -7.235 1.810 8.507 11 3HD1 LEU 18 HD13 LEU 18 -7.205 2.959 9.843 12 1HD2 LEU 18 HD21 LEU 18 -3.951 1.583 10.537 13 2HD2 LEU 18 HD22 LEU 18 -3.524 1.223 8.864 14 3HD2 LEU 18 HD23 LEU 18 -4.888 0.401 9.623 15 H MET 19 HN MET 19 -4.784 5.841 5.334 16 HA MET 19 HA MET 19 -6.711 4.691 3.397 17 1HB MET 19 HB2 MET 19 -6.896 7.143 4.074 18 2HB MET 19 HB1 MET 19 -5.362 7.394 3.250 19 1HG MET 19 HG2 MET 19 -6.273 6.993 1.159 20 2HG MET 19 HG1 MET 19 -7.661 6.131 1.820 21 1HE MET 19 HE1 MET 19 -9.833 7.214 1.179 22 2HE MET 19 HE2 MET 19 -8.816 7.715 -0.171 23 3HE MET 19 HE3 MET 19 -9.906 8.875 0.590 24 H VAL 20 HN VAL 20 -5.847 3.584 1.693 25 HA VAL 20 HA VAL 20 -3.095 4.223 0.942 26 HB VAL 20 HB VAL 20 -2.342 2.025 1.194 27 1HG1 VAL 20 HG11 VAL 20 -4.110 2.163 3.590 28 2HG1 VAL 20 HG12 VAL 20 -2.879 3.394 3.331 29 3HG1 VAL 20 HG13 VAL 20 -2.412 1.703 3.480 30 1HG2 VAL 20 HG21 VAL 20 -4.495 1.012 0.270 31 2HG2 VAL 20 HG22 VAL 20 -5.065 1.021 1.937 32 3HG2 VAL 20 HG23 VAL 20 -3.633 0.093 1.499 33 H GLU 21 HN GLU 21 -2.391 2.776 -0.894 34 HA GLU 21 HA GLU 21 -4.571 2.344 -2.841 35 1HB GLU 21 HB2 GLU 21 -2.047 3.803 -3.139 36 2HB GLU 21 HB1 GLU 21 -2.182 2.490 -4.294 37 1HG GLU 21 HG2 GLU 21 -4.317 3.375 -5.068 38 2HG GLU 21 HG1 GLU 21 -4.192 4.697 -3.910 39 H VAL 22 HN VAL 22 -4.775 0.169 -3.214 40 HA VAL 22 HA VAL 22 -2.384 -1.458 -2.607 41 HB VAL 22 HB VAL 22 -5.234 -2.238 -2.050 42 1HG1 VAL 22 HG11 VAL 22 -3.583 -4.076 -2.458 43 2HG1 VAL 22 HG12 VAL 22 -4.312 -4.093 -0.852 44 3HG1 VAL 22 HG13 VAL 22 -2.670 -3.488 -1.069 45 1HG2 VAL 22 HG21 VAL 22 -5.133 -1.001 -0.209 46 2HG2 VAL 22 HG22 VAL 22 -3.501 -0.476 -0.618 47 3HG2 VAL 22 HG23 VAL 22 -3.742 -1.940 0.331 48 H VAL 23 HN VAL 23 -1.744 -2.940 -3.983 49 HA VAL 23 HA VAL 23 -3.685 -3.858 -5.993 50 HB VAL 23 HB VAL 23 -1.676 -4.229 -7.509 51 1HG1 VAL 23 HG11 VAL 23 -2.637 -1.472 -6.794 52 2HG1 VAL 23 HG12 VAL 23 -3.186 -2.519 -8.103 53 3HG1 VAL 23 HG13 VAL 23 -1.585 -1.782 -8.175 54 1HG2 VAL 23 HG21 VAL 23 0.273 -2.770 -7.109 55 2HG2 VAL 23 HG22 VAL 23 0.085 -4.003 -5.863 56 3HG2 VAL 23 HG23 VAL 23 -0.397 -2.339 -5.536 57 H GLU 24 HN GLU 24 -4.110 -5.843 -5.641 58 HA GLU 24 HA GLU 24 -2.077 -7.824 -5.129 59 1HB GLU 24 HB2 GLU 24 -4.293 -7.137 -3.230 60 2HB GLU 24 HB1 GLU 24 -3.763 -8.808 -3.366 61 1HG GLU 24 HG2 GLU 24 -2.144 -8.370 -1.933 62 2HG GLU 24 HG1 GLU 24 -1.434 -7.271 -3.112 63 H SER 25 HN SER 25 -3.297 -10.065 -5.058 64 HA SER 25 HA SER 25 -4.856 -11.507 -5.917 65 1HB SER 25 HB2 SER 25 -6.105 -9.380 -7.608 66 2HB SER 25 HB1 SER 25 -6.834 -10.825 -6.917 67 HG SER 25 HG SER 25 -6.793 -8.377 -5.894 68 HA PRO 26 HA PRO 26 -3.232 -10.796 -10.478 69 1HB PRO 26 HB2 PRO 26 -0.532 -10.268 -10.369 70 2HB PRO 26 HB1 PRO 26 -1.766 -9.053 -10.714 71 1HG PRO 26 HG2 PRO 26 -0.335 -9.634 -8.166 72 2HG PRO 26 HG1 PRO 26 -0.827 -8.075 -8.851 73 1HD PRO 26 HD2 PRO 26 -2.165 -9.277 -6.842 74 2HD PRO 26 HD1 PRO 26 -2.978 -8.260 -8.049 75 H ASN 27 HN ASN 27 -1.881 -11.896 -7.542 76 HA ASN 27 HA ASN 27 -0.323 -14.055 -8.549 77 1HB ASN 27 HB2 ASN 27 -0.604 -12.736 -6.136 78 2HB ASN 27 HB1 ASN 27 -1.350 -14.300 -5.814 79 1HD2 ASN 27 HD21 ASN 27 1.503 -13.054 -7.524 80 2HD2 ASN 27 HD22 ASN 27 2.608 -14.210 -6.875 81 H HIS 28 HN HIS 28 -3.670 -13.513 -8.100 82 HA HIS 28 HA HIS 28 -4.291 -16.201 -8.933 83 1HB HIS 28 HB2 HIS 28 -4.126 -15.928 -6.260 84 2HB HIS 28 HB1 HIS 28 -5.797 -15.426 -6.500 85 HD1 HIS 28 HD1 HIS 28 -7.143 -17.390 -5.803 86 HD2 HIS 28 HD2 HIS 28 -3.942 -18.474 -8.222 87 HE1 HIS 28 HE1 HIS 28 -7.419 -19.854 -6.219 88 HE2 HIS 28 HE2 HIS 28 -5.420 -20.506 -7.610 89 H SER 29 HN SER 29 -6.061 -13.571 -7.269 90 HA SER 29 HA SER 29 -8.074 -13.670 -9.387 91 1HB SER 29 HB2 SER 29 -8.863 -13.839 -7.071 92 2HB SER 29 HB1 SER 29 -8.129 -12.280 -6.697 93 HG SER 29 HG SER 29 -10.423 -12.869 -8.168 94 H GLU 30 HN GLU 30 -8.749 -10.770 -8.330 95 HA GLU 30 HA GLU 30 -6.664 -9.156 -9.452 96 1HB GLU 30 HB2 GLU 30 -8.366 -10.265 -11.303 97 2HB GLU 30 HB1 GLU 30 -9.115 -8.703 -10.998 98 1HG GLU 30 HG2 GLU 30 -7.122 -7.548 -11.627 99 2HG GLU 30 HG1 GLU 30 -6.220 -9.059 -11.729 100 H VAL 31 HN VAL 31 -6.691 -7.709 -7.819 101 HA VAL 31 HA VAL 31 -9.033 -6.003 -7.541 102 HB VAL 31 HB VAL 31 -7.835 -7.064 -5.017 103 1HG1 VAL 31 HG11 VAL 31 -10.054 -5.342 -5.773 104 2HG1 VAL 31 HG12 VAL 31 -9.174 -5.465 -4.248 105 3HG1 VAL 31 HG13 VAL 31 -10.488 -6.580 -4.597 106 1HG2 VAL 31 HG21 VAL 31 -8.627 -9.017 -6.341 107 2HG2 VAL 31 HG22 VAL 31 -10.234 -8.293 -6.366 108 3HG2 VAL 31 HG23 VAL 31 -9.510 -8.779 -4.833 109 H GLY 32 HN GLY 32 -7.851 -4.274 -8.242 110 1HA GLY 32 HA2 GLY 32 -5.779 -3.338 -6.400 111 2HA GLY 32 HA1 GLY 32 -5.462 -3.269 -8.139 112 H ILE 33 HN ILE 33 -6.657 -1.604 -5.571 113 HA ILE 33 HA ILE 33 -7.541 0.495 -7.270 114 HB ILE 33 HB ILE 33 -9.807 0.104 -5.512 115 1HG1 ILE 33 HG12 ILE 33 -8.962 -2.225 -6.373 116 2HG1 ILE 33 HG11 ILE 33 -10.639 -1.892 -6.141 117 1HG2 ILE 33 HG21 ILE 33 -10.883 0.276 -7.934 118 2HG2 ILE 33 HG22 ILE 33 -9.261 0.840 -8.332 119 3HG2 ILE 33 HG23 ILE 33 -10.209 1.677 -7.104 120 1HD1 ILE 33 HD11 ILE 33 -9.601 -2.974 -8.378 121 2HD1 ILE 33 HD12 ILE 33 -9.616 -1.267 -8.813 122 3HD1 ILE 33 HD13 ILE 33 -11.110 -2.066 -8.326 123 H LYS 34 HN LYS 34 -8.942 1.899 -5.746 124 HA LYS 34 HA LYS 34 -7.036 2.814 -3.738 125 1HB LYS 34 HB2 LYS 34 -9.471 3.942 -5.037 126 2HB LYS 34 HB1 LYS 34 -9.184 4.442 -3.377 127 1HG LYS 34 HG2 LYS 34 -7.623 5.879 -4.010 128 2HG LYS 34 HG1 LYS 34 -6.759 4.630 -4.906 129 1HD LYS 34 HD2 LYS 34 -8.190 4.983 -6.834 130 2HD LYS 34 HD1 LYS 34 -9.142 6.168 -5.937 131 1HE LYS 34 HE2 LYS 34 -6.187 6.479 -6.400 132 2HE LYS 34 HE1 LYS 34 -7.390 7.076 -7.541 133 1HZ LYS 34 HZ1 LYS 34 -7.502 7.825 -4.688 134 2HZ LYS 34 HZ2 LYS 34 -8.181 8.618 -6.019 135 3HZ LYS 34 HZ3 LYS 34 -6.509 8.669 -5.768 136 H GLY 35 HN GLY 35 -7.170 2.025 -1.683 137 1HA GLY 35 HA2 GLY 35 -9.794 1.123 -0.731 138 2HA GLY 35 HA1 GLY 35 -8.473 -0.023 -0.782 139 H GLU 36 HN GLU 36 -9.582 0.074 1.455 140 HA GLU 36 HA GLU 36 -8.030 1.899 3.191 141 1HB GLU 36 HB2 GLU 36 -10.650 0.469 3.664 142 2HB GLU 36 HB1 GLU 36 -9.755 1.293 4.934 143 1HG GLU 36 HG2 GLU 36 -11.072 3.020 4.387 144 2HG GLU 36 HG1 GLU 36 -9.893 3.257 3.099 145 H VAL 37 HN VAL 37 -6.934 1.061 4.994 146 HA VAL 37 HA VAL 37 -6.589 -1.880 4.968 147 HB VAL 37 HB VAL 37 -4.259 -1.591 5.606 148 1HG1 VAL 37 HG11 VAL 37 -5.345 -0.595 3.061 149 2HG1 VAL 37 HG12 VAL 37 -4.182 -1.881 3.377 150 3HG1 VAL 37 HG13 VAL 37 -3.657 -0.200 3.382 151 1HG2 VAL 37 HG21 VAL 37 -3.272 0.743 5.267 152 2HG2 VAL 37 HG22 VAL 37 -4.173 0.448 6.754 153 3HG2 VAL 37 HG23 VAL 37 -4.928 1.330 5.427 154 H VAL 38 HN VAL 38 -6.985 -2.890 6.793 155 HA VAL 38 HA VAL 38 -6.711 -1.432 9.340 156 HB VAL 38 HB VAL 38 -8.861 -3.479 8.788 157 1HG1 VAL 38 HG11 VAL 38 -7.838 -2.769 11.170 158 2HG1 VAL 38 HG12 VAL 38 -9.522 -3.239 10.934 159 3HG1 VAL 38 HG13 VAL 38 -9.082 -1.532 10.990 160 1HG2 VAL 38 HG21 VAL 38 -10.371 -1.412 8.967 161 2HG2 VAL 38 HG22 VAL 38 -9.508 -1.676 7.452 162 3HG2 VAL 38 HG23 VAL 38 -8.914 -0.485 8.609 163 H ASP 39 HN ASP 39 -5.468 -2.476 10.842 164 HA ASP 39 HA ASP 39 -4.368 -5.052 10.145 165 1HB ASP 39 HB2 ASP 39 -2.939 -4.717 12.133 166 2HB ASP 39 HB1 ASP 39 -2.884 -3.334 11.045 167 H GLU 40 HN GLU 40 -5.462 -6.839 10.616 168 HA GLU 40 HA GLU 40 -7.658 -7.138 12.216 169 1HB GLU 40 HB2 GLU 40 -5.499 -9.168 11.631 170 2HB GLU 40 HB1 GLU 40 -7.058 -9.564 12.341 171 1HG GLU 40 HG2 GLU 40 -7.993 -8.349 10.224 172 2HG GLU 40 HG1 GLU 40 -6.398 -8.711 9.566 173 H THR 41 HN THR 41 -4.308 -7.879 13.186 174 HA THR 41 HA THR 41 -4.924 -7.075 15.909 175 HB THR 41 HB THR 41 -3.783 -9.822 15.372 176 HG1 THR 41 HG1 THR 41 -5.823 -10.168 14.873 177 1HG2 THR 41 HG21 THR 41 -5.059 -9.496 17.908 178 2HG2 THR 41 HG22 THR 41 -3.811 -8.268 17.697 179 3HG2 THR 41 HG23 THR 41 -3.404 -9.977 17.540 180 H GLN 42 HN GLN 42 -3.323 -5.796 14.079 181 HA GLN 42 HA GLN 42 -1.262 -4.865 13.832 182 1HB GLN 42 HB2 GLN 42 -1.604 -5.004 16.466 183 2HB GLN 42 HB1 GLN 42 -0.265 -6.136 16.339 184 1HG GLN 42 HG2 GLN 42 1.161 -4.453 16.269 185 2HG GLN 42 HG1 GLN 42 0.393 -3.852 14.801 186 1HE2 GLN 42 HE21 GLN 42 -0.606 -1.959 14.883 187 2HE2 GLN 42 HE22 GLN 42 -0.993 -1.086 16.323 188 H ASN 43 HN ASN 43 -1.309 -6.725 12.156 189 HA ASN 43 HA ASN 43 1.288 -7.758 11.925 190 1HB ASN 43 HB2 ASN 43 0.686 -9.301 13.709 191 2HB ASN 43 HB1 ASN 43 -0.756 -9.801 12.832 192 1HD2 ASN 43 HD21 ASN 43 -0.597 -11.321 11.270 193 2HD2 ASN 43 HD22 ASN 43 0.870 -12.133 10.856 194 H THR 44 HN THR 44 -1.632 -9.614 11.142 195 HA THR 44 HA THR 44 -0.990 -9.508 8.333 196 HB THR 44 HB THR 44 -3.486 -10.575 9.682 197 HG1 THR 44 HG1 THR 44 -2.416 -12.588 9.545 198 1HG2 THR 44 HG21 THR 44 -4.112 -10.644 7.506 199 2HG2 THR 44 HG22 THR 44 -3.216 -12.161 7.590 200 3HG2 THR 44 HG23 THR 44 -2.453 -10.721 6.912 201 H LEU 45 HN LEU 45 -2.002 -8.212 6.772 202 HA LEU 45 HA LEU 45 -3.828 -6.205 7.949 203 1HB LEU 45 HB2 LEU 45 -1.438 -5.817 6.665 204 2HB LEU 45 HB1 LEU 45 -2.596 -5.545 5.378 205 1HD1 LEU 45 HD11 LEU 45 -4.386 -3.564 5.775 206 2HD1 LEU 45 HD12 LEU 45 -4.346 -2.828 7.377 207 3HD1 LEU 45 HD13 LEU 45 -4.776 -4.528 7.198 208 1HD2 LEU 45 HD21 LEU 45 -3.093 -3.981 9.055 209 2HD2 LEU 45 HD22 LEU 45 -1.691 -3.055 8.520 210 3HD2 LEU 45 HD23 LEU 45 -1.588 -4.810 8.656 211 H LYS 46 HN LYS 46 -5.855 -6.166 7.294 212 HA LYS 46 HA LYS 46 -6.591 -7.645 4.876 213 1HB LYS 46 HB2 LYS 46 -7.878 -7.080 7.410 214 2HB LYS 46 HB1 LYS 46 -8.895 -6.546 6.080 215 1HG LYS 46 HG2 LYS 46 -8.014 -9.060 5.304 216 2HG LYS 46 HG1 LYS 46 -8.345 -9.217 7.030 217 1HD LYS 46 HD2 LYS 46 -10.339 -9.743 5.761 218 2HD LYS 46 HD1 LYS 46 -10.582 -8.242 6.657 219 1HE LYS 46 HE2 LYS 46 -11.352 -7.521 4.656 220 2HE LYS 46 HE1 LYS 46 -9.637 -7.238 4.360 221 1HZ LYS 46 HZ1 LYS 46 -9.610 -9.567 3.416 222 2HZ LYS 46 HZ2 LYS 46 -10.418 -8.396 2.500 223 3HZ LYS 46 HZ3 LYS 46 -11.301 -9.501 3.429 224 H ILE 47 HN ILE 47 -6.905 -6.554 3.025 225 HA ILE 47 HA ILE 47 -7.503 -3.670 3.245 226 HB ILE 47 HB ILE 47 -5.793 -4.795 1.050 227 1HG1 ILE 47 HG12 ILE 47 -4.840 -3.645 3.684 228 2HG1 ILE 47 HG11 ILE 47 -4.698 -5.327 3.193 229 1HG2 ILE 47 HG21 ILE 47 -6.855 -2.216 1.762 230 2HG2 ILE 47 HG22 ILE 47 -6.040 -2.728 0.287 231 3HG2 ILE 47 HG23 ILE 47 -5.096 -2.170 1.666 232 1HD1 ILE 47 HD11 ILE 47 -3.285 -4.582 1.290 233 2HD1 ILE 47 HD12 ILE 47 -2.590 -4.267 2.880 234 3HD1 ILE 47 HD13 ILE 47 -3.326 -2.953 1.964 235 H MET 48 HN MET 48 -8.958 -2.815 1.849 236 HA MET 48 HA MET 48 -10.067 -4.677 -0.187 237 1HB MET 48 HB2 MET 48 -11.700 -4.488 1.584 238 2HB MET 48 HB1 MET 48 -11.542 -2.738 1.616 239 1HG MET 48 HG2 MET 48 -12.395 -2.791 -0.789 240 2HG MET 48 HG1 MET 48 -12.860 -4.456 -0.456 241 1HE MET 48 HE1 MET 48 -15.749 -4.284 1.923 242 2HE MET 48 HE2 MET 48 -14.114 -4.449 2.563 243 3HE MET 48 HE3 MET 48 -14.554 -5.241 1.049 244 H THR 49 HN THR 49 -9.886 -3.846 -2.310 245 HA THR 49 HA THR 49 -9.229 -0.982 -2.418 246 HB THR 49 HB THR 49 -8.427 -1.479 -4.658 247 HG1 THR 49 HG1 THR 49 -8.424 -3.750 -5.275 248 1HG2 THR 49 HG21 THR 49 -6.933 -3.593 -3.877 249 2HG2 THR 49 HG22 THR 49 -7.429 -2.916 -2.325 250 3HG2 THR 49 HG23 THR 49 -6.576 -1.909 -3.495 251 H GLU 50 HN GLU 50 -11.052 -3.172 -4.540 252 HA GLU 50 HA GLU 50 -13.496 -1.804 -4.379 253 1HB GLU 50 HB2 GLU 50 -11.774 -0.262 -5.781 254 2HB GLU 50 HB1 GLU 50 -12.401 -1.265 -7.080 255 1HG GLU 50 HG2 GLU 50 -14.689 -0.612 -6.443 256 2HG GLU 50 HG1 GLU 50 -14.014 0.451 -5.209 257 H LYS 51 HN LYS 51 -11.295 -3.673 -6.488 258 HA LYS 51 HA LYS 51 -13.440 -5.056 -7.787 259 1HB LYS 51 HB2 LYS 51 -10.606 -4.936 -8.008 260 2HB LYS 51 HB1 LYS 51 -11.039 -6.622 -7.761 261 1HG LYS 51 HG2 LYS 51 -12.187 -4.827 -9.889 262 2HG LYS 51 HG1 LYS 51 -10.906 -6.015 -10.133 263 1HD LYS 51 HD2 LYS 51 -12.454 -7.792 -9.398 264 2HD LYS 51 HD1 LYS 51 -13.733 -6.585 -9.243 265 1HE LYS 51 HE2 LYS 51 -14.082 -6.488 -11.463 266 2HE LYS 51 HE1 LYS 51 -12.363 -6.590 -11.837 267 1HZ LYS 51 HZ1 LYS 51 -13.349 -8.543 -12.667 268 2HZ LYS 51 HZ2 LYS 51 -14.224 -8.817 -11.245 269 3HZ LYS 51 HZ3 LYS 51 -12.543 -9.011 -11.254 270 H GLY 52 HN GLY 52 -12.190 -5.101 -4.684 271 1HA GLY 52 HA2 GLY 52 -13.840 -6.821 -3.486 272 2HA GLY 52 HA1 GLY 52 -12.628 -7.908 -4.145 273 H LEU 53 HN LEU 53 -12.752 -8.166 -1.628 274 HA LEU 53 HA LEU 53 -10.526 -6.603 -0.512 275 1HB LEU 53 HB2 LEU 53 -11.548 -6.402 1.556 276 2HB LEU 53 HB1 LEU 53 -12.890 -6.166 0.454 277 HG LEU 53 HG LEU 53 -12.262 -8.775 1.833 278 1HD1 LEU 53 HD11 LEU 53 -13.061 -7.742 3.651 279 2HD1 LEU 53 HD12 LEU 53 -14.629 -7.901 2.860 280 3HD1 LEU 53 HD13 LEU 53 -13.719 -6.397 2.720 281 1HD2 LEU 53 HD21 LEU 53 -14.250 -7.903 -0.169 282 2HD2 LEU 53 HD22 LEU 53 -14.847 -8.922 1.141 283 3HD2 LEU 53 HD23 LEU 53 -13.536 -9.491 0.107 284 H LYS 54 HN LYS 54 -8.889 -7.786 0.325 285 HA LYS 54 HA LYS 54 -9.368 -10.587 0.956 286 1HB LYS 54 HB2 LYS 54 -8.143 -9.761 -1.446 287 2HB LYS 54 HB1 LYS 54 -6.857 -10.396 -0.430 288 1HG LYS 54 HG2 LYS 54 -7.473 -12.473 -0.878 289 2HG LYS 54 HG1 LYS 54 -9.110 -12.151 -0.301 290 1HD LYS 54 HD2 LYS 54 -9.926 -11.922 -2.386 291 2HD LYS 54 HD1 LYS 54 -8.506 -11.039 -2.950 292 1HE LYS 54 HE2 LYS 54 -8.363 -13.981 -2.404 293 2HE LYS 54 HE1 LYS 54 -9.007 -13.381 -3.932 294 1HZ LYS 54 HZ1 LYS 54 -6.316 -12.753 -2.845 295 2HZ LYS 54 HZ2 LYS 54 -6.935 -12.226 -4.328 296 3HZ LYS 54 HZ3 LYS 54 -6.639 -13.871 -4.073 297 H VAL 55 HN VAL 55 -7.267 -11.604 1.827 298 HA VAL 55 HA VAL 55 -6.130 -9.719 3.771 299 HB VAL 55 HB VAL 55 -5.505 -11.736 5.074 300 1HG1 VAL 55 HG11 VAL 55 -7.427 -10.986 5.987 301 2HG1 VAL 55 HG12 VAL 55 -8.085 -12.474 5.304 302 3HG1 VAL 55 HG13 VAL 55 -8.273 -10.949 4.440 303 1HG2 VAL 55 HG21 VAL 55 -7.084 -13.216 2.971 304 2HG2 VAL 55 HG22 VAL 55 -6.449 -13.908 4.465 305 3HG2 VAL 55 HG23 VAL 55 -5.341 -13.323 3.224 306 H VAL 56 HN VAL 56 -4.032 -9.234 3.718 307 HA VAL 56 HA VAL 56 -2.216 -10.940 2.180 308 HB VAL 56 HB VAL 56 -1.092 -8.870 1.334 309 1HG1 VAL 56 HG11 VAL 56 -2.259 -9.827 -0.363 310 2HG1 VAL 56 HG12 VAL 56 -3.182 -8.331 -0.225 311 3HG1 VAL 56 HG13 VAL 56 -3.782 -9.811 0.525 312 1HG2 VAL 56 HG21 VAL 56 -2.747 -6.869 1.242 313 2HG2 VAL 56 HG22 VAL 56 -1.769 -7.120 2.687 314 3HG2 VAL 56 HG23 VAL 56 -3.460 -7.622 2.668 315 H ALA 57 HN ALA 57 -0.001 -10.648 2.606 316 HA ALA 57 HA ALA 57 0.779 -9.317 5.077 317 1HB ALA 57 HB1 ALA 57 0.498 -12.200 4.766 318 2HB ALA 57 HB2 ALA 57 0.724 -11.238 6.227 319 3HB ALA 57 HB3 ALA 57 2.121 -11.724 5.267 320 H LYS 58 HN LYS 58 3.309 -9.724 5.306 321 HA LYS 58 HA LYS 58 4.534 -8.511 3.109 322 1HB LYS 58 HB2 LYS 58 5.885 -10.138 5.269 323 2HB LYS 58 HB1 LYS 58 6.643 -8.924 4.248 324 1HG LYS 58 HG2 LYS 58 5.271 -7.191 5.257 325 2HG LYS 58 HG1 LYS 58 4.456 -8.400 6.251 326 1HD LYS 58 HD2 LYS 58 7.413 -8.317 6.390 327 2HD LYS 58 HD1 LYS 58 6.540 -6.970 7.124 328 1HE LYS 58 HE2 LYS 58 5.109 -9.002 8.113 329 2HE LYS 58 HE1 LYS 58 6.656 -9.822 7.910 330 1HZ LYS 58 HZ1 LYS 58 6.480 -7.212 9.282 331 2HZ LYS 58 HZ2 LYS 58 7.699 -8.382 9.385 332 3HZ LYS 58 HZ3 LYS 58 6.198 -8.659 10.116 333 H ARG 59 HN ARG 59 3.557 -10.074 1.499 334 HA ARG 59 HA ARG 59 5.606 -12.013 0.742 335 1HB ARG 59 HB2 ARG 59 2.671 -12.731 0.725 336 2HB ARG 59 HB1 ARG 59 4.020 -13.777 0.306 337 1HG ARG 59 HG2 ARG 59 4.675 -13.057 2.842 338 2HG ARG 59 HG1 ARG 59 2.913 -13.084 2.924 339 1HD ARG 59 HD2 ARG 59 3.940 -15.371 1.480 340 2HD ARG 59 HD1 ARG 59 4.639 -15.264 3.095 341 HE ARG 59 HE ARG 59 1.837 -14.885 3.202 342 1HH1 ARG 59 HH11 ARG 59 4.249 -17.368 2.758 343 2HH1 ARG 59 HH12 ARG 59 3.241 -18.632 3.379 344 1HH2 ARG 59 HH21 ARG 59 0.511 -16.546 4.020 345 2HH2 ARG 59 HH22 ARG 59 1.120 -18.166 4.095 346 H GLY 60 HN GLY 60 4.235 -13.097 -1.469 347 1HA GLY 60 HA2 GLY 60 4.781 -11.256 -3.471 348 2HA GLY 60 HA1 GLY 60 3.758 -12.669 -3.672 349 H ARG 61 HN ARG 61 3.884 -9.371 -3.826 350 HA ARG 61 HA ARG 61 1.582 -8.668 -4.890 351 1HB ARG 61 HB2 ARG 61 1.049 -9.356 -2.047 352 2HB ARG 61 HB1 ARG 61 0.301 -7.883 -2.646 353 1HG ARG 61 HG2 ARG 61 -1.115 -8.998 -4.026 354 2HG ARG 61 HG1 ARG 61 0.032 -10.301 -4.329 355 1HD ARG 61 HD2 ARG 61 -0.731 -10.300 -1.564 356 2HD ARG 61 HD1 ARG 61 -2.170 -10.309 -2.582 357 HE ARG 61 HE ARG 61 -0.158 -12.213 -3.368 358 1HH1 ARG 61 HH11 ARG 61 -2.952 -11.648 -1.351 359 2HH1 ARG 61 HH12 ARG 61 -3.351 -13.328 -1.220 360 1HH2 ARG 61 HH21 ARG 61 -0.682 -14.422 -3.193 361 2HH2 ARG 61 HH22 ARG 61 -2.062 -14.902 -2.264 362 H THR 62 HN THR 62 0.975 -6.270 -4.549 363 HA THR 62 HA THR 62 3.254 -4.917 -3.217 364 HB THR 62 HB THR 62 1.971 -3.539 -5.502 365 HG1 THR 62 HG1 THR 62 2.182 -5.635 -6.332 366 1HG2 THR 62 HG21 THR 62 4.770 -3.711 -5.758 367 2HG2 THR 62 HG22 THR 62 4.415 -3.377 -4.062 368 3HG2 THR 62 HG23 THR 62 3.792 -2.310 -5.321 369 H PHE 63 HN PHE 63 2.658 -3.576 -1.628 370 HA PHE 63 HA PHE 63 0.015 -2.293 -1.874 371 1HB PHE 63 HB2 PHE 63 0.288 -2.561 0.850 372 2HB PHE 63 HB1 PHE 63 -0.697 -3.591 -0.181 373 HD1 PHE 63 HD1 PHE 63 -0.519 -5.811 0.329 374 HD2 PHE 63 HD2 PHE 63 2.935 -3.349 0.658 375 HE1 PHE 63 HE1 PHE 63 0.803 -7.767 1.021 376 HE2 PHE 63 HE2 PHE 63 4.264 -5.301 1.350 377 HZ PHE 63 HZ PHE 63 3.200 -7.513 1.532 378 H ARG 64 HN ARG 64 -0.095 -0.168 -1.207 379 HA ARG 64 HA ARG 64 2.345 1.029 -0.037 380 1HB ARG 64 HB2 ARG 64 0.689 1.917 -2.372 381 2HB ARG 64 HB1 ARG 64 1.439 3.138 -1.352 382 1HG ARG 64 HG2 ARG 64 3.454 2.785 -2.231 383 2HG ARG 64 HG1 ARG 64 3.288 1.031 -2.125 384 1HD ARG 64 HD2 ARG 64 1.814 1.149 -4.152 385 2HD ARG 64 HD1 ARG 64 2.260 2.848 -4.296 386 HE ARG 64 HE ARG 64 4.649 1.575 -4.192 387 1HH1 ARG 64 HH11 ARG 64 1.803 1.182 -6.174 388 2HH1 ARG 64 HH12 ARG 64 2.687 0.610 -7.548 389 1HH2 ARG 64 HH21 ARG 64 5.813 0.821 -5.997 390 2HH2 ARG 64 HH22 ARG 64 4.964 0.401 -7.448 391 H VAL 65 HN VAL 65 1.907 2.063 1.899 392 HA VAL 65 HA VAL 65 -0.924 2.749 2.359 393 HB VAL 65 HB VAL 65 -0.710 2.115 4.669 394 1HG1 VAL 65 HG11 VAL 65 0.376 -0.360 3.886 395 2HG1 VAL 65 HG12 VAL 65 -0.425 0.309 2.464 396 3HG1 VAL 65 HG13 VAL 65 -1.326 0.101 3.966 397 1HG2 VAL 65 HG21 VAL 65 2.159 2.019 3.999 398 2HG2 VAL 65 HG22 VAL 65 1.575 0.742 5.066 399 3HG2 VAL 65 HG23 VAL 65 1.359 2.434 5.515 400 H TRP 66 HN TRP 66 -1.497 4.579 3.292 401 HA TRP 66 HA TRP 66 0.573 6.447 4.228 402 1HB TRP 66 HB2 TRP 66 -1.999 7.342 2.939 403 2HB TRP 66 HB1 TRP 66 -0.545 8.280 3.240 404 HD1 TRP 66 HD1 TRP 66 1.658 7.468 1.639 405 HE1 TRP 66 HE1 TRP 66 1.609 6.885 -0.868 406 HE3 TRP 66 HE3 TRP 66 -3.318 6.402 1.145 407 HZ2 TRP 66 HZ2 TRP 66 -0.298 6.085 -2.796 408 HZ3 TRP 66 HZ3 TRP 66 -4.178 5.738 -1.043 409 HH2 TRP 66 HH2 TRP 66 -2.695 5.588 -2.981 410 H TYR 67 HN TYR 67 0.289 7.058 6.263 411 HA TYR 67 HA TYR 67 -2.365 6.712 7.498 412 1HB TYR 67 HB2 TYR 67 0.414 6.512 8.658 413 2HB TYR 67 HB1 TYR 67 -1.020 6.658 9.667 414 HD1 TYR 67 HD1 TYR 67 -1.751 4.680 10.574 415 HD2 TYR 67 HD2 TYR 67 0.023 4.611 6.708 416 HE1 TYR 67 HE1 TYR 67 -2.070 2.244 10.478 417 HE2 TYR 67 HE2 TYR 67 -0.292 2.175 6.600 418 HH TYR 67 HH TYR 67 -1.751 0.460 7.624 419 H LYS 68 HN LYS 68 -2.525 8.200 9.547 420 HA LYS 68 HA LYS 68 -2.285 10.902 8.567 421 1HB LYS 68 HB2 LYS 68 -3.519 9.654 11.007 422 2HB LYS 68 HB1 LYS 68 -3.346 11.399 10.872 423 1HG LYS 68 HG2 LYS 68 -4.501 10.826 8.496 424 2HG LYS 68 HG1 LYS 68 -5.203 9.572 9.521 425 1HD LYS 68 HD2 LYS 68 -6.128 11.167 11.001 426 2HD LYS 68 HD1 LYS 68 -5.163 12.474 10.313 427 1HE LYS 68 HE2 LYS 68 -7.490 12.600 9.576 428 2HE LYS 68 HE1 LYS 68 -6.400 12.304 8.222 429 1HZ LYS 68 HZ1 LYS 68 -7.511 9.944 9.501 430 2HZ LYS 68 HZ2 LYS 68 -7.260 10.270 7.861 431 3HZ LYS 68 HZ3 LYS 68 -8.614 10.905 8.651 432 H GLY 69 HN GLY 69 0.207 10.310 8.640 433 1HA GLY 69 HA2 GLY 69 1.421 12.066 10.425 434 2HA GLY 69 HA1 GLY 69 1.545 10.463 11.132 435 H LYS 70 HN LYS 70 2.045 8.843 9.024 436 HA LYS 70 HA LYS 70 4.311 9.999 7.574 437 1HB LYS 70 HB2 LYS 70 5.522 7.748 8.148 438 2HB LYS 70 HB1 LYS 70 5.577 9.095 9.277 439 1HG LYS 70 HG2 LYS 70 5.146 7.181 10.569 440 2HG LYS 70 HG1 LYS 70 3.606 8.033 10.446 441 1HD LYS 70 HD2 LYS 70 2.909 6.520 8.656 442 2HD LYS 70 HD1 LYS 70 4.455 5.676 8.761 443 1HE LYS 70 HE2 LYS 70 2.499 4.596 9.953 444 2HE LYS 70 HE1 LYS 70 3.964 4.833 10.906 445 1HZ LYS 70 HZ1 LYS 70 1.713 6.758 10.932 446 2HZ LYS 70 HZ2 LYS 70 3.007 6.657 12.016 447 3HZ LYS 70 HZ3 LYS 70 1.812 5.459 12.011 448 H ILE 71 HN ILE 71 5.133 8.523 5.861 449 HA ILE 71 HA ILE 71 3.003 6.759 4.843 450 HB ILE 71 HB ILE 71 3.730 7.462 2.536 451 1HG1 ILE 71 HG12 ILE 71 4.785 9.992 3.695 452 2HG1 ILE 71 HG11 ILE 71 5.857 8.595 3.707 453 1HG2 ILE 71 HG21 ILE 71 2.658 9.795 4.082 454 2HG2 ILE 71 HG22 ILE 71 1.718 8.318 3.873 455 3HG2 ILE 71 HG23 ILE 71 2.228 9.247 2.464 456 1HD1 ILE 71 HD11 ILE 71 6.403 9.062 1.621 457 2HD1 ILE 71 HD12 ILE 71 5.204 10.355 1.558 458 3HD1 ILE 71 HD13 ILE 71 4.745 8.705 1.136 459 H MET 72 HN MET 72 3.619 4.764 4.278 460 HA MET 72 HA MET 72 6.473 4.267 3.753 461 1HB MET 72 HB2 MET 72 4.946 3.326 5.989 462 2HB MET 72 HB1 MET 72 5.391 1.951 4.986 463 1HG MET 72 HG2 MET 72 7.073 2.259 6.645 464 2HG MET 72 HG1 MET 72 7.747 2.706 5.080 465 1HE MET 72 HE1 MET 72 9.075 3.715 8.050 466 2HE MET 72 HE2 MET 72 9.666 5.187 7.279 467 3HE MET 72 HE3 MET 72 9.680 3.662 6.394 468 H ARG 73 HN ARG 73 6.928 2.588 2.295 469 HA ARG 73 HA ARG 73 4.588 1.478 0.886 470 1HB ARG 73 HB2 ARG 73 7.184 2.368 -0.386 471 2HB ARG 73 HB1 ARG 73 5.793 1.694 -1.223 472 1HG ARG 73 HG2 ARG 73 5.044 3.753 -1.519 473 2HG ARG 73 HG1 ARG 73 4.810 3.876 0.225 474 1HD ARG 73 HD2 ARG 73 6.522 5.288 0.448 475 2HD ARG 73 HD1 ARG 73 7.579 4.283 -0.541 476 HE ARG 73 HE ARG 73 6.093 6.591 -1.386 477 1HH1 ARG 73 HH11 ARG 73 7.586 3.615 -2.433 478 2HH1 ARG 73 HH12 ARG 73 7.793 4.148 -4.067 479 1HH2 ARG 73 HH21 ARG 73 6.364 7.293 -3.535 480 2HH2 ARG 73 HH22 ARG 73 7.099 6.236 -4.694 481 H ILE 74 HN ILE 74 4.573 -0.684 0.654 482 HA ILE 74 HA ILE 74 7.125 -2.114 1.057 483 HB ILE 74 HB ILE 74 4.447 -3.192 1.919 484 1HG1 ILE 74 HG12 ILE 74 6.129 -2.527 4.142 485 2HG1 ILE 74 HG11 ILE 74 5.928 -1.093 3.139 486 1HG2 ILE 74 HG21 ILE 74 6.263 -4.804 1.459 487 2HG2 ILE 74 HG22 ILE 74 5.752 -4.804 3.147 488 3HG2 ILE 74 HG23 ILE 74 7.250 -3.999 2.679 489 1HD1 ILE 74 HD11 ILE 74 3.400 -1.787 3.224 490 2HD1 ILE 74 HD12 ILE 74 4.146 -0.882 4.540 491 3HD1 ILE 74 HD13 ILE 74 3.913 -2.623 4.690 492 H LYS 75 HN LYS 75 7.701 -3.371 -0.568 493 HA LYS 75 HA LYS 75 5.619 -4.427 -2.362 494 1HB LYS 75 HB2 LYS 75 6.806 -2.590 -3.463 495 2HB LYS 75 HB1 LYS 75 8.344 -3.379 -3.144 496 1HG LYS 75 HG2 LYS 75 7.912 -5.093 -4.683 497 2HG LYS 75 HG1 LYS 75 6.193 -4.700 -4.761 498 1HD LYS 75 HD2 LYS 75 6.590 -2.745 -6.011 499 2HD LYS 75 HD1 LYS 75 8.314 -2.758 -5.634 500 1HE LYS 75 HE2 LYS 75 8.341 -5.015 -6.878 501 2HE LYS 75 HE1 LYS 75 6.783 -4.505 -7.528 502 1HZ LYS 75 HZ1 LYS 75 9.088 -2.686 -7.692 503 2HZ LYS 75 HZ2 LYS 75 7.734 -2.791 -8.700 504 3HZ LYS 75 HZ3 LYS 75 8.954 -3.957 -8.802 505 H GLY 76 HN GLY 76 5.673 -6.575 -2.677 506 1HA GLY 76 HA2 GLY 76 8.124 -8.000 -1.823 507 2HA GLY 76 HA1 GLY 76 6.502 -8.623 -1.558 508 H ASP 77 HN ASP 77 9.137 -9.118 -3.335 509 HA ASP 77 HA ASP 77 8.128 -10.935 -5.100 510 1HB ASP 77 HB2 ASP 77 8.283 -9.567 -7.288 511 2HB ASP 77 HB1 ASP 77 6.821 -9.412 -6.319 Start of MODEL 7 1 1H GLY 17 HN GLY 17 -7.787 4.229 10.012 2 1HA GLY 17 HA2 GLY 17 -8.242 6.532 8.727 3 2HA GLY 17 HA1 GLY 17 -7.092 7.051 9.950 4 H LEU 18 HN LEU 18 -7.203 4.005 8.132 5 HA LEU 18 HA LEU 18 -4.539 4.674 7.067 6 1HB LEU 18 HB2 LEU 18 -5.734 1.999 7.784 7 2HB LEU 18 HB1 LEU 18 -4.241 2.182 6.886 8 HG LEU 18 HG LEU 18 -3.191 3.289 8.778 9 1HD1 LEU 18 HD11 LEU 18 -4.721 4.474 9.976 10 2HD1 LEU 18 HD12 LEU 18 -4.616 3.032 10.988 11 3HD1 LEU 18 HD13 LEU 18 -5.956 3.220 9.854 12 1HD2 LEU 18 HD21 LEU 18 -4.468 0.892 9.997 13 2HD2 LEU 18 HD22 LEU 18 -2.774 1.386 9.982 14 3HD2 LEU 18 HD23 LEU 18 -3.504 0.697 8.533 15 H MET 19 HN MET 19 -4.862 5.463 5.072 16 HA MET 19 HA MET 19 -6.686 3.943 3.288 17 1HB MET 19 HB2 MET 19 -5.620 6.763 2.981 18 2HB MET 19 HB1 MET 19 -6.732 5.962 1.879 19 1HG MET 19 HG2 MET 19 -8.502 6.099 3.350 20 2HG MET 19 HG1 MET 19 -7.453 6.277 4.755 21 1HE MET 19 HE1 MET 19 -9.003 8.904 5.592 22 2HE MET 19 HE2 MET 19 -9.819 7.664 4.638 23 3HE MET 19 HE3 MET 19 -9.876 9.351 4.125 24 H VAL 20 HN VAL 20 -5.721 2.710 1.777 25 HA VAL 20 HA VAL 20 -2.969 3.438 1.004 26 HB VAL 20 HB VAL 20 -3.997 0.692 1.728 27 1HG1 VAL 20 HG11 VAL 20 -2.060 1.192 -0.148 28 2HG1 VAL 20 HG12 VAL 20 -2.249 -0.297 0.772 29 3HG1 VAL 20 HG13 VAL 20 -1.126 0.944 1.326 30 1HG2 VAL 20 HG21 VAL 20 -1.700 2.058 3.039 31 2HG2 VAL 20 HG22 VAL 20 -2.742 0.790 3.657 32 3HG2 VAL 20 HG23 VAL 20 -3.347 2.439 3.525 33 H GLU 21 HN GLU 21 -2.334 2.969 -1.101 34 HA GLU 21 HA GLU 21 -4.520 2.237 -2.946 35 1HB GLU 21 HB2 GLU 21 -2.187 3.861 -3.233 36 2HB GLU 21 HB1 GLU 21 -1.913 2.430 -4.207 37 1HG GLU 21 HG2 GLU 21 -3.698 2.871 -5.607 38 2HG GLU 21 HG1 GLU 21 -4.476 3.943 -4.443 39 H VAL 22 HN VAL 22 -4.705 0.012 -3.347 40 HA VAL 22 HA VAL 22 -2.260 -1.506 -2.686 41 HB VAL 22 HB VAL 22 -5.076 -2.403 -2.154 42 1HG1 VAL 22 HG11 VAL 22 -4.209 -4.291 -1.167 43 2HG1 VAL 22 HG12 VAL 22 -2.640 -3.543 -0.863 44 3HG1 VAL 22 HG13 VAL 22 -3.073 -4.054 -2.495 45 1HG2 VAL 22 HG21 VAL 22 -3.456 -0.526 -0.744 46 2HG2 VAL 22 HG22 VAL 22 -3.627 -1.979 0.239 47 3HG2 VAL 22 HG23 VAL 22 -5.062 -1.126 -0.336 48 H VAL 23 HN VAL 23 -1.529 -3.020 -3.929 49 HA VAL 23 HA VAL 23 -3.324 -4.079 -6.007 50 HB VAL 23 HB VAL 23 -0.331 -3.746 -6.323 51 1HG1 VAL 23 HG11 VAL 23 -2.089 -4.040 -8.664 52 2HG1 VAL 23 HG12 VAL 23 -1.982 -5.452 -7.614 53 3HG1 VAL 23 HG13 VAL 23 -0.519 -4.767 -8.322 54 1HG2 VAL 23 HG21 VAL 23 -2.542 -1.872 -6.885 55 2HG2 VAL 23 HG22 VAL 23 -1.327 -2.052 -8.152 56 3HG2 VAL 23 HG23 VAL 23 -0.844 -1.554 -6.530 57 H GLU 24 HN GLU 24 -3.703 -6.047 -5.511 58 HA GLU 24 HA GLU 24 -1.628 -7.881 -4.652 59 1HB GLU 24 HB2 GLU 24 -3.157 -8.775 -2.850 60 2HB GLU 24 HB1 GLU 24 -2.433 -7.206 -2.526 61 1HG GLU 24 HG2 GLU 24 -4.413 -6.209 -2.385 62 2HG GLU 24 HG1 GLU 24 -4.995 -6.977 -3.862 63 H SER 25 HN SER 25 -2.708 -10.147 -4.339 64 HA SER 25 HA SER 25 -3.695 -11.937 -5.316 65 1HB SER 25 HB2 SER 25 -5.828 -10.258 -6.549 66 2HB SER 25 HB1 SER 25 -5.959 -11.794 -5.693 67 HG SER 25 HG SER 25 -6.244 -9.292 -4.735 68 HA PRO 26 HA PRO 26 -2.048 -11.432 -9.478 69 1HB PRO 26 HB2 PRO 26 -1.238 -13.957 -9.825 70 2HB PRO 26 HB1 PRO 26 -0.371 -12.857 -8.747 71 1HG PRO 26 HG2 PRO 26 -2.308 -15.032 -8.079 72 2HG PRO 26 HG1 PRO 26 -0.808 -14.572 -7.252 73 1HD PRO 26 HD2 PRO 26 -3.356 -13.826 -6.456 74 2HD PRO 26 HD1 PRO 26 -1.862 -12.985 -5.999 75 H ASN 27 HN ASN 27 -4.887 -12.582 -8.483 76 HA ASN 27 HA ASN 27 -5.903 -14.481 -10.116 77 1HB ASN 27 HB2 ASN 27 -6.942 -12.289 -8.579 78 2HB ASN 27 HB1 ASN 27 -7.854 -12.428 -10.080 79 1HD2 ASN 27 HD21 ASN 27 -7.641 -13.468 -6.961 80 2HD2 ASN 27 HD22 ASN 27 -8.574 -14.917 -7.079 81 H HIS 28 HN HIS 28 -7.273 -14.340 -12.055 82 HA HIS 28 HA HIS 28 -5.915 -13.343 -14.264 83 1HB HIS 28 HB2 HIS 28 -8.778 -14.190 -13.866 84 2HB HIS 28 HB1 HIS 28 -8.194 -13.633 -15.431 85 HD1 HIS 28 HD1 HIS 28 -5.730 -15.573 -13.517 86 HD2 HIS 28 HD2 HIS 28 -8.732 -16.337 -16.288 87 HE1 HIS 28 HE1 HIS 28 -5.296 -17.904 -14.353 88 HE2 HIS 28 HE2 HIS 28 -7.177 -18.378 -15.962 89 H SER 29 HN SER 29 -8.289 -11.838 -12.205 90 HA SER 29 HA SER 29 -8.352 -9.469 -13.937 91 1HB SER 29 HB2 SER 29 -10.509 -10.571 -13.098 92 2HB SER 29 HB1 SER 29 -10.082 -9.936 -11.509 93 HG SER 29 HG SER 29 -9.921 -7.839 -12.673 94 H GLU 30 HN GLU 30 -7.328 -10.645 -10.824 95 HA GLU 30 HA GLU 30 -6.045 -9.735 -9.182 96 1HB GLU 30 HB2 GLU 30 -4.525 -9.165 -11.004 97 2HB GLU 30 HB1 GLU 30 -5.430 -7.692 -11.326 98 1HG GLU 30 HG2 GLU 30 -4.537 -6.588 -9.561 99 2HG GLU 30 HG1 GLU 30 -4.356 -8.051 -8.595 100 H VAL 31 HN VAL 31 -6.057 -8.102 -7.547 101 HA VAL 31 HA VAL 31 -8.353 -6.245 -7.781 102 HB VAL 31 HB VAL 31 -7.341 -6.997 -5.091 103 1HG1 VAL 31 HG11 VAL 31 -9.487 -5.583 -6.098 104 2HG1 VAL 31 HG12 VAL 31 -9.283 -6.132 -4.434 105 3HG1 VAL 31 HG13 VAL 31 -10.194 -7.113 -5.581 106 1HG2 VAL 31 HG21 VAL 31 -9.117 -8.866 -6.657 107 2HG2 VAL 31 HG22 VAL 31 -8.591 -9.056 -4.986 108 3HG2 VAL 31 HG23 VAL 31 -7.418 -9.159 -6.298 109 H GLY 32 HN GLY 32 -7.276 -4.379 -8.402 110 1HA GLY 32 HA2 GLY 32 -5.417 -3.328 -6.426 111 2HA GLY 32 HA1 GLY 32 -4.995 -3.219 -8.139 112 H ILE 33 HN ILE 33 -6.444 -1.668 -5.664 113 HA ILE 33 HA ILE 33 -7.414 0.334 -7.430 114 HB ILE 33 HB ILE 33 -9.247 -1.646 -6.404 115 1HG1 ILE 33 HG12 ILE 33 -8.844 -0.768 -8.706 116 2HG1 ILE 33 HG11 ILE 33 -10.531 -0.967 -8.237 117 1HG2 ILE 33 HG21 ILE 33 -10.188 1.171 -5.967 118 2HG2 ILE 33 HG22 ILE 33 -9.657 0.106 -4.667 119 3HG2 ILE 33 HG23 ILE 33 -11.054 -0.325 -5.645 120 1HD1 ILE 33 HD11 ILE 33 -8.961 1.590 -8.444 121 2HD1 ILE 33 HD12 ILE 33 -10.561 1.482 -7.708 122 3HD1 ILE 33 HD13 ILE 33 -10.347 1.087 -9.412 123 H LYS 34 HN LYS 34 -8.718 1.917 -6.014 124 HA LYS 34 HA LYS 34 -6.881 2.732 -3.911 125 1HB LYS 34 HB2 LYS 34 -9.474 3.892 -4.981 126 2HB LYS 34 HB1 LYS 34 -8.707 4.538 -3.537 127 1HG LYS 34 HG2 LYS 34 -7.033 5.527 -4.697 128 2HG LYS 34 HG1 LYS 34 -7.011 4.280 -5.945 129 1HD LYS 34 HD2 LYS 34 -7.994 5.857 -7.216 130 2HD LYS 34 HD1 LYS 34 -9.459 5.389 -6.350 131 1HE LYS 34 HE2 LYS 34 -7.637 7.494 -5.244 132 2HE LYS 34 HE1 LYS 34 -8.818 7.896 -6.490 133 1HZ LYS 34 HZ1 LYS 34 -9.229 7.218 -3.697 134 2HZ LYS 34 HZ2 LYS 34 -10.348 6.558 -4.780 135 3HZ LYS 34 HZ3 LYS 34 -10.128 8.234 -4.710 136 H GLY 35 HN GLY 35 -7.106 1.849 -1.861 137 1HA GLY 35 HA2 GLY 35 -9.802 0.951 -1.105 138 2HA GLY 35 HA1 GLY 35 -8.491 -0.205 -1.129 139 H GLU 36 HN GLU 36 -9.758 -0.226 1.010 140 HA GLU 36 HA GLU 36 -8.470 1.589 2.959 141 1HB GLU 36 HB2 GLU 36 -10.975 -0.037 2.969 142 2HB GLU 36 HB1 GLU 36 -10.191 0.301 4.505 143 1HG GLU 36 HG2 GLU 36 -10.241 2.759 3.270 144 2HG GLU 36 HG1 GLU 36 -11.775 2.030 2.798 145 H VAL 37 HN VAL 37 -7.275 0.809 4.729 146 HA VAL 37 HA VAL 37 -6.571 -2.066 4.541 147 HB VAL 37 HB VAL 37 -4.312 -1.316 5.471 148 1HG1 VAL 37 HG11 VAL 37 -5.111 -0.598 2.652 149 2HG1 VAL 37 HG12 VAL 37 -4.611 -2.187 3.228 150 3HG1 VAL 37 HG13 VAL 37 -3.459 -0.856 3.213 151 1HG2 VAL 37 HG21 VAL 37 -4.872 1.286 4.137 152 2HG2 VAL 37 HG22 VAL 37 -3.681 0.887 5.376 153 3HG2 VAL 37 HG23 VAL 37 -5.382 1.056 5.808 154 H VAL 38 HN VAL 38 -6.777 -3.234 6.273 155 HA VAL 38 HA VAL 38 -6.780 -1.952 8.921 156 HB VAL 38 HB VAL 38 -8.566 -4.259 8.130 157 1HG1 VAL 38 HG11 VAL 38 -9.639 -3.274 10.378 158 2HG1 VAL 38 HG12 VAL 38 -7.944 -2.878 10.667 159 3HG1 VAL 38 HG13 VAL 38 -8.421 -4.550 10.370 160 1HG2 VAL 38 HG21 VAL 38 -10.246 -2.852 7.622 161 2HG2 VAL 38 HG22 VAL 38 -8.946 -1.696 7.329 162 3HG2 VAL 38 HG23 VAL 38 -9.793 -1.696 8.875 163 H ASP 39 HN ASP 39 -5.461 -2.917 10.391 164 HA ASP 39 HA ASP 39 -3.994 -5.283 9.535 165 1HB ASP 39 HB2 ASP 39 -3.532 -3.354 11.818 166 2HB ASP 39 HB1 ASP 39 -2.506 -4.741 11.466 167 H GLU 40 HN GLU 40 -4.942 -7.151 10.040 168 HA GLU 40 HA GLU 40 -6.814 -7.567 12.069 169 1HB GLU 40 HB2 GLU 40 -6.025 -9.032 9.988 170 2HB GLU 40 HB1 GLU 40 -5.076 -9.835 11.232 171 1HG GLU 40 HG2 GLU 40 -7.223 -10.098 12.527 172 2HG GLU 40 HG1 GLU 40 -8.062 -9.561 11.073 173 H THR 41 HN THR 41 -6.111 -6.747 14.032 174 HA THR 41 HA THR 41 -5.110 -6.756 16.075 175 HB THR 41 HB THR 41 -4.195 -9.564 15.481 176 HG1 THR 41 HG1 THR 41 -6.180 -10.251 15.546 177 1HG2 THR 41 HG21 THR 41 -3.642 -8.377 17.676 178 2HG2 THR 41 HG22 THR 41 -4.373 -9.981 17.757 179 3HG2 THR 41 HG23 THR 41 -5.359 -8.546 18.039 180 H GLN 42 HN GLN 42 -3.589 -5.891 13.760 181 HA GLN 42 HA GLN 42 -1.486 -5.237 13.197 182 1HB GLN 42 HB2 GLN 42 -1.581 -4.430 15.576 183 2HB GLN 42 HB1 GLN 42 -0.776 -5.919 16.054 184 1HG GLN 42 HG2 GLN 42 0.876 -4.231 15.922 185 2HG GLN 42 HG1 GLN 42 1.105 -5.295 14.535 186 1HE2 GLN 42 HE21 GLN 42 1.176 -2.192 15.436 187 2HE2 GLN 42 HE22 GLN 42 0.759 -1.421 13.946 188 H ASN 43 HN ASN 43 -1.715 -7.411 12.010 189 HA ASN 43 HA ASN 43 0.811 -8.741 12.192 190 1HB ASN 43 HB2 ASN 43 -1.079 -9.809 13.880 191 2HB ASN 43 HB1 ASN 43 -1.259 -10.808 12.442 192 1HD2 ASN 43 HD21 ASN 43 0.329 -12.219 11.881 193 2HD2 ASN 43 HD22 ASN 43 1.712 -12.541 12.865 194 H THR 44 HN THR 44 -2.352 -9.989 11.143 195 HA THR 44 HA THR 44 -1.308 -10.428 8.479 196 HB THR 44 HB THR 44 -4.141 -10.812 9.478 197 HG1 THR 44 HG1 THR 44 -1.933 -12.583 9.518 198 1HG2 THR 44 HG21 THR 44 -2.713 -11.587 7.007 199 2HG2 THR 44 HG22 THR 44 -4.401 -11.136 7.254 200 3HG2 THR 44 HG23 THR 44 -3.843 -12.748 7.703 201 H LEU 45 HN LEU 45 -2.179 -9.399 6.559 202 HA LEU 45 HA LEU 45 -3.402 -6.793 7.230 203 1HB LEU 45 HB2 LEU 45 -1.259 -7.592 5.393 204 2HB LEU 45 HB1 LEU 45 -2.425 -6.484 4.696 205 1HD1 LEU 45 HD11 LEU 45 -2.003 -4.023 7.465 206 2HD1 LEU 45 HD12 LEU 45 -3.256 -4.892 6.580 207 3HD1 LEU 45 HD13 LEU 45 -2.170 -3.797 5.724 208 1HD2 LEU 45 HD21 LEU 45 -1.191 -6.905 8.026 209 2HD2 LEU 45 HD22 LEU 45 -0.599 -5.263 8.279 210 3HD2 LEU 45 HD23 LEU 45 0.384 -6.428 7.392 211 H LYS 46 HN LYS 46 -5.398 -6.434 6.570 212 HA LYS 46 HA LYS 46 -6.439 -8.046 4.328 213 1HB LYS 46 HB2 LYS 46 -8.190 -6.681 6.360 214 2HB LYS 46 HB1 LYS 46 -8.576 -8.041 5.312 215 1HG LYS 46 HG2 LYS 46 -7.479 -9.565 6.670 216 2HG LYS 46 HG1 LYS 46 -6.503 -8.320 7.450 217 1HD LYS 46 HD2 LYS 46 -8.143 -9.030 9.027 218 2HD LYS 46 HD1 LYS 46 -8.615 -7.427 8.461 219 1HE LYS 46 HE2 LYS 46 -10.626 -8.495 8.299 220 2HE LYS 46 HE1 LYS 46 -9.979 -8.836 6.695 221 1HZ LYS 46 HZ1 LYS 46 -10.419 -10.635 8.941 222 2HZ LYS 46 HZ2 LYS 46 -9.024 -10.911 8.025 223 3HZ LYS 46 HZ3 LYS 46 -10.541 -10.926 7.277 224 H ILE 47 HN ILE 47 -6.843 -6.905 2.522 225 HA ILE 47 HA ILE 47 -7.434 -4.029 2.856 226 HB ILE 47 HB ILE 47 -5.735 -5.050 0.601 227 1HG1 ILE 47 HG12 ILE 47 -4.862 -4.063 3.325 228 2HG1 ILE 47 HG11 ILE 47 -4.505 -5.620 2.588 229 1HG2 ILE 47 HG21 ILE 47 -5.918 -2.966 -0.118 230 2HG2 ILE 47 HG22 ILE 47 -5.195 -2.379 1.377 231 3HG2 ILE 47 HG23 ILE 47 -6.942 -2.569 1.261 232 1HD1 ILE 47 HD11 ILE 47 -3.366 -2.932 1.936 233 2HD1 ILE 47 HD12 ILE 47 -3.280 -4.274 0.795 234 3HD1 ILE 47 HD13 ILE 47 -2.531 -4.419 2.384 235 H MET 48 HN MET 48 -8.855 -3.106 1.399 236 HA MET 48 HA MET 48 -10.038 -4.997 -0.554 237 1HB MET 48 HB2 MET 48 -11.548 -4.646 1.365 238 2HB MET 48 HB1 MET 48 -11.510 -2.913 1.076 239 1HG MET 48 HG2 MET 48 -12.337 -3.632 -1.314 240 2HG MET 48 HG1 MET 48 -12.886 -5.061 -0.441 241 1HE MET 48 HE1 MET 48 -12.943 -1.370 -0.935 242 2HE MET 48 HE2 MET 48 -14.504 -0.830 -0.314 243 3HE MET 48 HE3 MET 48 -14.430 -1.832 -1.763 244 H THR 49 HN THR 49 -9.916 -4.294 -2.671 245 HA THR 49 HA THR 49 -9.841 -1.376 -3.051 246 HB THR 49 HB THR 49 -8.175 -1.937 -4.926 247 HG1 THR 49 HG1 THR 49 -7.813 -4.205 -3.279 248 1HG2 THR 49 HG21 THR 49 -6.287 -1.676 -3.535 249 2HG2 THR 49 HG22 THR 49 -7.146 -2.332 -2.142 250 3HG2 THR 49 HG23 THR 49 -7.601 -0.760 -2.800 251 H GLU 50 HN GLU 50 -9.357 -3.716 -5.628 252 HA GLU 50 HA GLU 50 -11.722 -2.673 -6.942 253 1HB GLU 50 HB2 GLU 50 -9.664 -2.779 -8.211 254 2HB GLU 50 HB1 GLU 50 -9.539 -4.507 -7.935 255 1HG GLU 50 HG2 GLU 50 -10.340 -4.289 -10.117 256 2HG GLU 50 HG1 GLU 50 -11.753 -4.714 -9.154 257 H LYS 51 HN LYS 51 -10.680 -5.949 -7.595 258 HA LYS 51 HA LYS 51 -13.059 -7.127 -7.938 259 1HB LYS 51 HB2 LYS 51 -10.505 -8.043 -7.730 260 2HB LYS 51 HB1 LYS 51 -11.262 -8.834 -6.355 261 1HG LYS 51 HG2 LYS 51 -13.103 -9.362 -8.221 262 2HG LYS 51 HG1 LYS 51 -11.675 -9.241 -9.249 263 1HD LYS 51 HD2 LYS 51 -11.258 -11.366 -8.701 264 2HD LYS 51 HD1 LYS 51 -10.814 -10.762 -7.103 265 1HE LYS 51 HE2 LYS 51 -13.678 -11.331 -7.736 266 2HE LYS 51 HE1 LYS 51 -12.589 -12.659 -7.342 267 1HZ LYS 51 HZ1 LYS 51 -12.049 -11.510 -5.260 268 2HZ LYS 51 HZ2 LYS 51 -13.695 -11.886 -5.366 269 3HZ LYS 51 HZ3 LYS 51 -13.171 -10.301 -5.635 270 H GLY 52 HN GLY 52 -11.730 -6.287 -4.816 271 1HA GLY 52 HA2 GLY 52 -13.935 -5.995 -3.365 272 2HA GLY 52 HA1 GLY 52 -13.815 -7.748 -3.409 273 H LEU 53 HN LEU 53 -13.390 -8.103 -1.282 274 HA LEU 53 HA LEU 53 -10.972 -6.841 -0.186 275 1HB LEU 53 HB2 LEU 53 -11.895 -6.852 1.905 276 2HB LEU 53 HB1 LEU 53 -13.337 -6.656 0.929 277 HG LEU 53 HG LEU 53 -12.396 -9.316 1.994 278 1HD1 LEU 53 HD11 LEU 53 -13.864 -9.104 3.802 279 2HD1 LEU 53 HD12 LEU 53 -14.663 -7.695 3.103 280 3HD1 LEU 53 HD13 LEU 53 -13.021 -7.555 3.734 281 1HD2 LEU 53 HD21 LEU 53 -14.599 -8.410 0.277 282 2HD2 LEU 53 HD22 LEU 53 -15.074 -9.488 1.589 283 3HD2 LEU 53 HD23 LEU 53 -13.852 -10.001 0.425 284 H LYS 54 HN LYS 54 -9.262 -8.037 0.217 285 HA LYS 54 HA LYS 54 -9.554 -10.935 0.470 286 1HB LYS 54 HB2 LYS 54 -8.629 -9.903 -1.812 287 2HB LYS 54 HB1 LYS 54 -7.130 -9.882 -0.894 288 1HG LYS 54 HG2 LYS 54 -7.254 -11.909 -2.170 289 2HG LYS 54 HG1 LYS 54 -7.402 -12.295 -0.454 290 1HD LYS 54 HD2 LYS 54 -9.206 -13.478 -1.048 291 2HD LYS 54 HD1 LYS 54 -10.013 -11.918 -1.212 292 1HE LYS 54 HE2 LYS 54 -8.689 -12.200 -3.612 293 2HE LYS 54 HE1 LYS 54 -9.224 -13.842 -3.252 294 1HZ LYS 54 HZ1 LYS 54 -10.839 -11.423 -3.697 295 2HZ LYS 54 HZ2 LYS 54 -11.466 -12.688 -2.767 296 3HZ LYS 54 HZ3 LYS 54 -11.014 -12.963 -4.373 297 H VAL 55 HN VAL 55 -8.036 -11.966 1.789 298 HA VAL 55 HA VAL 55 -6.462 -10.148 3.490 299 HB VAL 55 HB VAL 55 -6.692 -11.785 5.297 300 1HG1 VAL 55 HG11 VAL 55 -8.713 -10.988 6.002 301 2HG1 VAL 55 HG12 VAL 55 -9.499 -11.295 4.453 302 3HG1 VAL 55 HG13 VAL 55 -8.435 -9.901 4.642 303 1HG2 VAL 55 HG21 VAL 55 -6.970 -13.837 4.136 304 2HG2 VAL 55 HG22 VAL 55 -8.407 -13.248 3.299 305 3HG2 VAL 55 HG23 VAL 55 -8.463 -13.562 5.034 306 H VAL 56 HN VAL 56 -4.366 -10.408 3.511 307 HA VAL 56 HA VAL 56 -3.205 -12.987 2.721 308 HB VAL 56 HB VAL 56 -1.279 -11.462 1.797 309 1HG1 VAL 56 HG11 VAL 56 -3.774 -12.446 0.569 310 2HG1 VAL 56 HG12 VAL 56 -2.093 -12.801 0.171 311 3HG1 VAL 56 HG13 VAL 56 -2.834 -11.303 -0.389 312 1HG2 VAL 56 HG21 VAL 56 -3.675 -9.661 1.451 313 2HG2 VAL 56 HG22 VAL 56 -2.060 -9.397 0.796 314 3HG2 VAL 56 HG23 VAL 56 -2.323 -9.355 2.540 315 H ALA 57 HN ALA 57 -1.460 -13.673 3.833 316 HA ALA 57 HA ALA 57 -0.406 -11.923 5.954 317 1HB ALA 57 HB1 ALA 57 -1.493 -14.670 6.117 318 2HB ALA 57 HB2 ALA 57 -1.512 -13.369 7.307 319 3HB ALA 57 HB3 ALA 57 -0.050 -14.327 7.071 320 H LYS 58 HN LYS 58 1.729 -11.628 5.848 321 HA LYS 58 HA LYS 58 3.914 -11.845 5.254 322 1HB LYS 58 HB2 LYS 58 3.899 -13.783 6.669 323 2HB LYS 58 HB1 LYS 58 3.151 -14.760 5.414 324 1HG LYS 58 HG2 LYS 58 5.156 -14.651 4.075 325 2HG LYS 58 HG1 LYS 58 5.908 -13.561 5.242 326 1HD LYS 58 HD2 LYS 58 6.756 -15.780 5.604 327 2HD LYS 58 HD1 LYS 58 5.706 -15.352 6.956 328 1HE LYS 58 HE2 LYS 58 4.275 -17.009 6.502 329 2HE LYS 58 HE1 LYS 58 4.277 -16.650 4.775 330 1HZ LYS 58 HZ1 LYS 58 5.210 -18.737 4.859 331 2HZ LYS 58 HZ2 LYS 58 6.048 -18.442 6.297 332 3HZ LYS 58 HZ3 LYS 58 6.592 -17.760 4.848 333 H ARG 59 HN ARG 59 4.455 -11.092 3.318 334 HA ARG 59 HA ARG 59 4.732 -10.884 1.067 335 1HB ARG 59 HB2 ARG 59 5.402 -13.611 1.797 336 2HB ARG 59 HB1 ARG 59 4.860 -13.510 0.129 337 1HG ARG 59 HG2 ARG 59 6.641 -11.363 0.547 338 2HG ARG 59 HG1 ARG 59 7.383 -12.801 1.248 339 1HD ARG 59 HD2 ARG 59 6.162 -13.340 -1.331 340 2HD ARG 59 HD1 ARG 59 7.386 -12.074 -1.425 341 HE ARG 59 HE ARG 59 8.230 -14.402 0.038 342 1HH1 ARG 59 HH11 ARG 59 7.984 -12.935 -3.120 343 2HH1 ARG 59 HH12 ARG 59 9.266 -13.880 -3.796 344 1HH2 ARG 59 HH21 ARG 59 9.916 -15.647 -0.852 345 2HH2 ARG 59 HH22 ARG 59 10.363 -15.422 -2.510 346 H GLY 60 HN GLY 60 3.939 -11.751 -1.161 347 1HA GLY 60 HA2 GLY 60 2.211 -12.265 -2.598 348 2HA GLY 60 HA1 GLY 60 1.327 -12.931 -1.234 349 H ARG 61 HN ARG 61 2.554 -9.639 -1.859 350 HA ARG 61 HA ARG 61 0.238 -8.402 -2.659 351 1HB ARG 61 HB2 ARG 61 -0.338 -7.346 -0.303 352 2HB ARG 61 HB1 ARG 61 -1.074 -8.852 -0.830 353 1HG ARG 61 HG2 ARG 61 -0.103 -10.031 0.799 354 2HG ARG 61 HG1 ARG 61 1.454 -9.234 0.575 355 1HD ARG 61 HD2 ARG 61 -0.409 -7.372 1.689 356 2HD ARG 61 HD1 ARG 61 -0.423 -8.852 2.644 357 HE ARG 61 HE ARG 61 2.091 -7.456 2.015 358 1HH1 ARG 61 HH11 ARG 61 -0.115 -8.838 4.353 359 2HH1 ARG 61 HH12 ARG 61 0.978 -8.643 5.677 360 1HH2 ARG 61 HH21 ARG 61 3.521 -7.208 3.762 361 2HH2 ARG 61 HH22 ARG 61 3.037 -7.718 5.346 362 H THR 62 HN THR 62 0.855 -6.437 -3.343 363 HA THR 62 HA THR 62 2.994 -5.071 -1.828 364 HB THR 62 HB THR 62 2.635 -5.105 -4.833 365 HG1 THR 62 HG1 THR 62 3.557 -7.021 -3.767 366 1HG2 THR 62 HG21 THR 62 4.022 -3.397 -4.999 367 2HG2 THR 62 HG22 THR 62 5.197 -4.196 -3.954 368 3HG2 THR 62 HG23 THR 62 3.928 -3.194 -3.249 369 H PHE 63 HN PHE 63 2.385 -3.121 -1.082 370 HA PHE 63 HA PHE 63 0.476 -1.579 -2.683 371 1HB PHE 63 HB2 PHE 63 -0.687 -1.012 -0.410 372 2HB PHE 63 HB1 PHE 63 -1.106 -2.481 -1.279 373 HD1 PHE 63 HD1 PHE 63 0.404 -4.579 -0.591 374 HD2 PHE 63 HD2 PHE 63 -0.353 -1.170 1.843 375 HE1 PHE 63 HE1 PHE 63 0.906 -5.906 1.417 376 HE2 PHE 63 HE2 PHE 63 0.151 -2.493 3.856 377 HZ PHE 63 HZ PHE 63 0.782 -4.863 3.645 378 H ARG 64 HN ARG 64 0.140 0.647 -1.526 379 HA ARG 64 HA ARG 64 2.619 1.655 -0.297 380 1HB ARG 64 HB2 ARG 64 1.930 2.312 -2.823 381 2HB ARG 64 HB1 ARG 64 0.967 3.500 -1.955 382 1HG ARG 64 HG2 ARG 64 3.480 3.621 -0.767 383 2HG ARG 64 HG1 ARG 64 3.797 3.462 -2.495 384 1HD ARG 64 HD2 ARG 64 1.866 5.464 -1.341 385 2HD ARG 64 HD1 ARG 64 3.567 5.821 -1.641 386 HE ARG 64 HE ARG 64 2.256 4.778 -3.953 387 1HH1 ARG 64 HH11 ARG 64 2.748 7.679 -2.074 388 2HH1 ARG 64 HH12 ARG 64 2.468 8.742 -3.412 389 1HH2 ARG 64 HH21 ARG 64 1.887 6.176 -5.711 390 2HH2 ARG 64 HH22 ARG 64 1.978 7.890 -5.475 391 H VAL 65 HN VAL 65 2.192 2.549 1.689 392 HA VAL 65 HA VAL 65 -0.642 2.996 2.293 393 HB VAL 65 HB VAL 65 0.450 1.349 3.678 394 1HG1 VAL 65 HG11 VAL 65 2.730 2.155 3.573 395 2HG1 VAL 65 HG12 VAL 65 2.224 2.005 5.255 396 3HG1 VAL 65 HG13 VAL 65 2.291 3.594 4.493 397 1HG2 VAL 65 HG21 VAL 65 -1.286 3.079 4.561 398 2HG2 VAL 65 HG22 VAL 65 0.075 3.693 5.492 399 3HG2 VAL 65 HG23 VAL 65 -0.449 2.022 5.700 400 H TRP 66 HN TRP 66 -1.498 4.674 3.192 401 HA TRP 66 HA TRP 66 0.112 7.079 3.703 402 1HB TRP 66 HB2 TRP 66 -2.733 7.170 2.719 403 2HB TRP 66 HB1 TRP 66 -1.551 8.469 2.757 404 HD1 TRP 66 HD1 TRP 66 0.701 7.818 1.005 405 HE1 TRP 66 HE1 TRP 66 0.474 7.117 -1.459 406 HE3 TRP 66 HE3 TRP 66 -4.130 6.134 1.073 407 HZ2 TRP 66 HZ2 TRP 66 -1.495 6.006 -3.149 408 HZ3 TRP 66 HZ3 TRP 66 -5.108 5.273 -0.999 409 HH2 TRP 66 HH2 TRP 66 -3.821 5.213 -3.069 410 H TYR 67 HN TYR 67 -0.078 7.781 5.702 411 HA TYR 67 HA TYR 67 -2.430 7.003 7.305 412 1HB TYR 67 HB2 TYR 67 0.354 7.655 8.304 413 2HB TYR 67 HB1 TYR 67 -1.005 7.113 9.280 414 HD1 TYR 67 HD1 TYR 67 -1.928 4.771 8.824 415 HD2 TYR 67 HD2 TYR 67 1.834 6.112 7.364 416 HE1 TYR 67 HE1 TYR 67 -1.218 2.435 8.525 417 HE2 TYR 67 HE2 TYR 67 2.554 3.782 7.058 418 HH TYR 67 HH TYR 67 2.042 1.580 7.829 419 H LYS 68 HN LYS 68 -2.612 8.617 9.267 420 HA LYS 68 HA LYS 68 -3.010 11.222 8.098 421 1HB LYS 68 HB2 LYS 68 -4.231 9.776 10.133 422 2HB LYS 68 HB1 LYS 68 -3.388 11.060 10.988 423 1HG LYS 68 HG2 LYS 68 -4.779 12.070 8.664 424 2HG LYS 68 HG1 LYS 68 -5.868 11.218 9.761 425 1HD LYS 68 HD2 LYS 68 -5.630 12.761 11.408 426 2HD LYS 68 HD1 LYS 68 -3.941 13.079 11.010 427 1HE LYS 68 HE2 LYS 68 -5.869 13.921 8.962 428 2HE LYS 68 HE1 LYS 68 -6.004 14.775 10.499 429 1HZ LYS 68 HZ1 LYS 68 -3.747 14.700 8.615 430 2HZ LYS 68 HZ2 LYS 68 -3.455 15.003 10.253 431 3HZ LYS 68 HZ3 LYS 68 -4.466 16.032 9.371 432 H GLY 69 HN GLY 69 -0.422 10.976 7.846 433 1HA GLY 69 HA2 GLY 69 0.690 13.100 9.279 434 2HA GLY 69 HA1 GLY 69 1.187 11.616 10.075 435 H LYS 70 HN LYS 70 1.742 9.892 8.084 436 HA LYS 70 HA LYS 70 3.502 11.269 6.194 437 1HB LYS 70 HB2 LYS 70 4.540 10.324 8.521 438 2HB LYS 70 HB1 LYS 70 4.727 8.918 7.482 439 1HG LYS 70 HG2 LYS 70 6.721 10.328 7.487 440 2HG LYS 70 HG1 LYS 70 5.991 10.229 5.884 441 1HD LYS 70 HD2 LYS 70 4.883 12.441 7.357 442 2HD LYS 70 HD1 LYS 70 6.643 12.543 7.331 443 1HE LYS 70 HE2 LYS 70 6.700 13.010 5.137 444 2HE LYS 70 HE1 LYS 70 5.456 11.818 4.757 445 1HZ LYS 70 HZ1 LYS 70 4.507 13.868 4.240 446 2HZ LYS 70 HZ2 LYS 70 5.105 14.619 5.633 447 3HZ LYS 70 HZ3 LYS 70 3.850 13.492 5.752 448 H ILE 71 HN ILE 71 4.462 9.745 4.582 449 HA ILE 71 HA ILE 71 2.692 7.448 4.066 450 HB ILE 71 HB ILE 71 2.805 7.945 1.664 451 1HG1 ILE 71 HG12 ILE 71 4.188 10.489 2.547 452 2HG1 ILE 71 HG11 ILE 71 4.929 9.173 1.641 453 1HG2 ILE 71 HG21 ILE 71 1.757 10.203 3.365 454 2HG2 ILE 71 HG22 ILE 71 0.894 8.732 2.915 455 3HG2 ILE 71 HG23 ILE 71 1.322 9.916 1.681 456 1HD1 ILE 71 HD11 ILE 71 3.094 9.645 -0.103 457 2HD1 ILE 71 HD12 ILE 71 4.465 10.748 0.016 458 3HD1 ILE 71 HD13 ILE 71 2.916 11.185 0.738 459 H MET 72 HN MET 72 3.675 5.582 3.476 460 HA MET 72 HA MET 72 6.467 5.654 2.583 461 1HB MET 72 HB2 MET 72 5.466 3.982 4.896 462 2HB MET 72 HB1 MET 72 7.051 3.819 4.151 463 1HG MET 72 HG2 MET 72 6.161 6.446 5.267 464 2HG MET 72 HG1 MET 72 6.801 5.188 6.324 465 1HE MET 72 HE1 MET 72 8.849 7.388 6.841 466 2HE MET 72 HE2 MET 72 7.692 8.150 5.748 467 3HE MET 72 HE3 MET 72 9.418 8.207 5.387 468 H ARG 73 HN ARG 73 7.189 3.400 1.866 469 HA ARG 73 HA ARG 73 4.972 2.166 0.378 470 1HB ARG 73 HB2 ARG 73 7.891 2.491 -0.119 471 2HB ARG 73 HB1 ARG 73 7.111 1.059 -0.771 472 1HG ARG 73 HG2 ARG 73 5.900 2.235 -2.291 473 2HG ARG 73 HG1 ARG 73 5.803 3.671 -1.267 474 1HD ARG 73 HD2 ARG 73 8.341 3.865 -1.690 475 2HD ARG 73 HD1 ARG 73 8.049 2.755 -3.028 476 HE ARG 73 HE ARG 73 7.298 5.533 -2.875 477 1HH1 ARG 73 HH11 ARG 73 6.688 2.464 -4.428 478 2HH1 ARG 73 HH12 ARG 73 5.991 3.179 -5.844 479 1HH2 ARG 73 HH21 ARG 73 6.382 6.471 -4.737 480 2HH2 ARG 73 HH22 ARG 73 5.817 5.452 -6.019 481 H ILE 74 HN ILE 74 4.316 0.109 0.804 482 HA ILE 74 HA ILE 74 6.076 -1.504 2.547 483 HB ILE 74 HB ILE 74 4.195 -0.659 3.847 484 1HG1 ILE 74 HG12 ILE 74 3.284 -3.432 3.594 485 2HG1 ILE 74 HG11 ILE 74 5.037 -3.284 3.683 486 1HG2 ILE 74 HG21 ILE 74 2.394 -2.147 1.949 487 2HG2 ILE 74 HG22 ILE 74 2.659 -0.403 1.900 488 3HG2 ILE 74 HG23 ILE 74 1.918 -1.144 3.319 489 1HD1 ILE 74 HD11 ILE 74 3.038 -2.251 5.679 490 2HD1 ILE 74 HD12 ILE 74 4.777 -1.967 5.754 491 3HD1 ILE 74 HD13 ILE 74 4.145 -3.608 5.883 492 H LYS 75 HN LYS 75 6.626 -3.400 1.748 493 HA LYS 75 HA LYS 75 4.841 -4.712 -0.189 494 1HB LYS 75 HB2 LYS 75 6.803 -5.462 -1.461 495 2HB LYS 75 HB1 LYS 75 6.690 -3.708 -1.428 496 1HG LYS 75 HG2 LYS 75 8.447 -3.542 0.165 497 2HG LYS 75 HG1 LYS 75 8.444 -5.285 0.435 498 1HD LYS 75 HD2 LYS 75 9.991 -5.489 -1.150 499 2HD LYS 75 HD1 LYS 75 8.808 -4.917 -2.330 500 1HE LYS 75 HE2 LYS 75 9.629 -2.585 -1.163 501 2HE LYS 75 HE1 LYS 75 11.109 -3.544 -1.145 502 1HZ LYS 75 HZ1 LYS 75 11.241 -3.552 -3.394 503 2HZ LYS 75 HZ2 LYS 75 10.404 -2.094 -3.217 504 3HZ LYS 75 HZ3 LYS 75 9.565 -3.505 -3.624 505 H GLY 76 HN GLY 76 4.617 -6.911 0.026 506 1HA GLY 76 HA2 GLY 76 5.390 -8.041 2.543 507 2HA GLY 76 HA1 GLY 76 4.550 -8.872 1.242 508 H ASP 77 HN ASP 77 7.212 -9.067 3.050 509 HA ASP 77 HA ASP 77 8.533 -10.829 1.229 510 1HB ASP 77 HB2 ASP 77 9.244 -8.369 0.641 511 2HB ASP 77 HB1 ASP 77 10.268 -8.532 2.064 Start of MODEL 8 1 1H GLY 17 HN GLY 17 -6.732 5.112 10.240 2 1HA GLY 17 HA2 GLY 17 -7.294 7.169 8.596 3 2HA GLY 17 HA1 GLY 17 -5.819 7.721 9.374 4 H LEU 18 HN LEU 18 -6.780 4.471 8.325 5 HA LEU 18 HA LEU 18 -4.252 4.251 6.877 6 1HB LEU 18 HB2 LEU 18 -6.308 2.242 7.763 7 2HB LEU 18 HB1 LEU 18 -4.995 1.824 6.683 8 HG LEU 18 HG LEU 18 -3.711 3.072 8.798 9 1HD1 LEU 18 HD11 LEU 18 -6.194 1.765 9.715 10 2HD1 LEU 18 HD12 LEU 18 -5.257 3.067 10.445 11 3HD1 LEU 18 HD13 LEU 18 -4.726 1.395 10.621 12 1HD2 LEU 18 HD21 LEU 18 -2.912 1.121 7.593 13 2HD2 LEU 18 HD22 LEU 18 -4.184 0.133 8.311 14 3HD2 LEU 18 HD23 LEU 18 -2.917 0.812 9.329 15 H MET 19 HN MET 19 -4.943 5.711 5.181 16 HA MET 19 HA MET 19 -6.920 4.534 3.309 17 1HB MET 19 HB2 MET 19 -5.670 7.283 3.150 18 2HB MET 19 HB1 MET 19 -7.085 6.698 2.287 19 1HG MET 19 HG2 MET 19 -8.467 7.084 4.013 20 2HG MET 19 HG1 MET 19 -7.270 6.610 5.217 21 1HE MET 19 HE1 MET 19 -9.314 9.692 4.173 22 2HE MET 19 HE2 MET 19 -8.709 10.399 5.670 23 3HE MET 19 HE3 MET 19 -9.286 8.733 5.653 24 H VAL 20 HN VAL 20 -6.132 3.546 1.475 25 HA VAL 20 HA VAL 20 -3.398 4.260 0.678 26 HB VAL 20 HB VAL 20 -2.731 1.956 0.635 27 1HG1 VAL 20 HG11 VAL 20 -2.422 1.652 2.892 28 2HG1 VAL 20 HG12 VAL 20 -4.068 2.148 3.285 29 3HG1 VAL 20 HG13 VAL 20 -2.869 3.355 2.838 30 1HG2 VAL 20 HG21 VAL 20 -5.331 1.116 1.853 31 2HG2 VAL 20 HG22 VAL 20 -4.092 0.124 1.086 32 3HG2 VAL 20 HG23 VAL 20 -5.122 1.159 0.103 33 H GLU 21 HN GLU 21 -2.754 2.954 -1.286 34 HA GLU 21 HA GLU 21 -5.032 2.543 -3.124 35 1HB GLU 21 HB2 GLU 21 -4.029 4.436 -4.107 36 2HB GLU 21 HB1 GLU 21 -2.412 3.963 -3.604 37 1HG GLU 21 HG2 GLU 21 -2.564 3.739 -5.969 38 2HG GLU 21 HG1 GLU 21 -2.504 2.120 -5.273 39 H VAL 22 HN VAL 22 -5.073 0.363 -3.628 40 HA VAL 22 HA VAL 22 -2.471 -1.013 -3.374 41 HB VAL 22 HB VAL 22 -5.110 -2.082 -2.422 42 1HG1 VAL 22 HG11 VAL 22 -2.401 -3.217 -2.704 43 2HG1 VAL 22 HG12 VAL 22 -3.971 -4.018 -2.670 44 3HG1 VAL 22 HG13 VAL 22 -3.199 -3.530 -1.162 45 1HG2 VAL 22 HG21 VAL 22 -2.978 -0.490 -1.104 46 2HG2 VAL 22 HG22 VAL 22 -3.706 -1.798 -0.175 47 3HG2 VAL 22 HG23 VAL 22 -4.717 -0.508 -0.825 48 H VAL 23 HN VAL 23 -1.964 -2.680 -4.566 49 HA VAL 23 HA VAL 23 -3.940 -3.663 -6.505 50 HB VAL 23 HB VAL 23 -0.969 -3.396 -7.036 51 1HG1 VAL 23 HG11 VAL 23 -3.282 -4.489 -8.572 52 2HG1 VAL 23 HG12 VAL 23 -1.657 -5.142 -8.369 53 3HG1 VAL 23 HG13 VAL 23 -1.924 -3.768 -9.440 54 1HG2 VAL 23 HG21 VAL 23 -2.654 -1.292 -6.971 55 2HG2 VAL 23 HG22 VAL 23 -2.874 -1.820 -8.639 56 3HG2 VAL 23 HG23 VAL 23 -1.264 -1.403 -8.051 57 H GLU 24 HN GLU 24 -4.341 -5.656 -6.015 58 HA GLU 24 HA GLU 24 -2.291 -7.544 -5.316 59 1HB GLU 24 HB2 GLU 24 -3.848 -8.411 -3.452 60 2HB GLU 24 HB1 GLU 24 -2.858 -7.001 -3.112 61 1HG GLU 24 HG2 GLU 24 -4.675 -5.900 -2.520 62 2HG GLU 24 HG1 GLU 24 -5.273 -6.034 -4.172 63 H SER 25 HN SER 25 -3.399 -9.766 -5.045 64 HA SER 25 HA SER 25 -4.197 -11.433 -6.409 65 1HB SER 25 HB2 SER 25 -6.924 -10.427 -6.365 66 2HB SER 25 HB1 SER 25 -6.235 -11.842 -5.571 67 HG SER 25 HG SER 25 -6.372 -9.176 -4.630 68 HA PRO 26 HA PRO 26 -5.177 -9.083 -10.328 69 1HB PRO 26 HB2 PRO 26 -2.974 -7.788 -11.079 70 2HB PRO 26 HB1 PRO 26 -4.014 -7.103 -9.826 71 1HG PRO 26 HG2 PRO 26 -1.344 -8.330 -9.579 72 2HG PRO 26 HG1 PRO 26 -2.162 -7.190 -8.497 73 1HD PRO 26 HD2 PRO 26 -1.997 -10.084 -8.306 74 2HD PRO 26 HD1 PRO 26 -2.658 -8.932 -7.141 75 H ASN 27 HN ASN 27 -3.207 -11.367 -9.217 76 HA ASN 27 HA ASN 27 -2.089 -12.200 -11.786 77 1HB ASN 27 HB2 ASN 27 -0.850 -11.808 -9.435 78 2HB ASN 27 HB1 ASN 27 -1.336 -13.490 -9.216 79 1HD2 ASN 27 HD21 ASN 27 -0.186 -11.628 -12.011 80 2HD2 ASN 27 HD22 ASN 27 1.116 -12.693 -12.403 81 H HIS 28 HN HIS 28 -4.249 -13.043 -9.190 82 HA HIS 28 HA HIS 28 -4.838 -15.625 -10.471 83 1HB HIS 28 HB2 HIS 28 -4.406 -14.936 -7.748 84 2HB HIS 28 HB1 HIS 28 -6.104 -15.371 -7.910 85 HD1 HIS 28 HD1 HIS 28 -6.000 -17.622 -6.775 86 HD2 HIS 28 HD2 HIS 28 -3.238 -17.237 -9.854 87 HE1 HIS 28 HE1 HIS 28 -5.047 -19.924 -7.115 88 HE2 HIS 28 HE2 HIS 28 -3.436 -19.682 -9.036 89 H SER 29 HN SER 29 -6.289 -12.757 -8.989 90 HA SER 29 HA SER 29 -8.713 -13.250 -10.584 91 1HB SER 29 HB2 SER 29 -9.822 -11.889 -8.599 92 2HB SER 29 HB1 SER 29 -9.583 -13.632 -8.478 93 HG SER 29 HG SER 29 -7.597 -11.845 -7.582 94 H GLU 30 HN GLU 30 -8.541 -10.416 -8.579 95 HA GLU 30 HA GLU 30 -7.104 -8.603 -10.003 96 1HB GLU 30 HB2 GLU 30 -9.377 -9.470 -11.551 97 2HB GLU 30 HB1 GLU 30 -9.513 -7.755 -11.193 98 1HG GLU 30 HG2 GLU 30 -6.958 -7.822 -11.959 99 2HG GLU 30 HG1 GLU 30 -7.568 -9.195 -12.882 100 H VAL 31 HN VAL 31 -7.019 -7.765 -7.866 101 HA VAL 31 HA VAL 31 -9.400 -6.142 -7.185 102 HB VAL 31 HB VAL 31 -7.677 -7.120 -4.974 103 1HG1 VAL 31 HG11 VAL 31 -10.223 -5.832 -5.303 104 2HG1 VAL 31 HG12 VAL 31 -9.232 -6.008 -3.856 105 3HG1 VAL 31 HG13 VAL 31 -10.378 -7.274 -4.299 106 1HG2 VAL 31 HG21 VAL 31 -9.739 -8.974 -5.016 107 2HG2 VAL 31 HG22 VAL 31 -8.047 -9.280 -5.371 108 3HG2 VAL 31 HG23 VAL 31 -9.165 -8.925 -6.682 109 H GLY 32 HN GLY 32 -8.270 -4.385 -8.219 110 1HA GLY 32 HA2 GLY 32 -6.211 -3.276 -6.469 111 2HA GLY 32 HA1 GLY 32 -5.936 -3.270 -8.214 112 H ILE 33 HN ILE 33 -7.140 -1.541 -5.691 113 HA ILE 33 HA ILE 33 -8.079 0.441 -7.452 114 HB ILE 33 HB ILE 33 -10.270 0.526 -7.147 115 1HG1 ILE 33 HG12 ILE 33 -10.896 -1.159 -4.920 116 2HG1 ILE 33 HG11 ILE 33 -9.772 0.090 -4.445 117 1HG2 ILE 33 HG21 ILE 33 -9.711 -2.373 -6.821 118 2HG2 ILE 33 HG22 ILE 33 -10.082 -1.485 -8.298 119 3HG2 ILE 33 HG23 ILE 33 -11.331 -1.736 -7.083 120 1HD1 ILE 33 HD11 ILE 33 -12.363 0.591 -5.885 121 2HD1 ILE 33 HD12 ILE 33 -11.279 1.795 -5.188 122 3HD1 ILE 33 HD13 ILE 33 -12.158 0.685 -4.136 123 H LYS 34 HN LYS 34 -9.365 2.035 -5.953 124 HA LYS 34 HA LYS 34 -7.370 2.886 -4.015 125 1HB LYS 34 HB2 LYS 34 -10.064 3.978 -4.876 126 2HB LYS 34 HB1 LYS 34 -9.256 4.607 -3.447 127 1HG LYS 34 HG2 LYS 34 -7.334 4.634 -5.482 128 2HG LYS 34 HG1 LYS 34 -8.824 5.234 -6.211 129 1HD LYS 34 HD2 LYS 34 -8.839 7.115 -4.950 130 2HD LYS 34 HD1 LYS 34 -8.166 6.298 -3.536 131 1HE LYS 34 HE2 LYS 34 -6.439 6.705 -5.931 132 2HE LYS 34 HE1 LYS 34 -6.764 8.076 -4.872 133 1HZ LYS 34 HZ1 LYS 34 -4.722 6.642 -4.397 134 2HZ LYS 34 HZ2 LYS 34 -5.812 5.506 -3.778 135 3HZ LYS 34 HZ3 LYS 34 -5.719 7.048 -3.090 136 H GLY 35 HN GLY 35 -7.385 1.961 -1.999 137 1HA GLY 35 HA2 GLY 35 -9.949 0.919 -1.005 138 2HA GLY 35 HA1 GLY 35 -8.562 -0.140 -1.125 139 H GLU 36 HN GLU 36 -9.630 -0.214 1.126 140 HA GLU 36 HA GLU 36 -8.160 1.678 2.886 141 1HB GLU 36 HB2 GLU 36 -10.823 1.229 2.898 142 2HB GLU 36 HB1 GLU 36 -10.306 -0.001 4.044 143 1HG GLU 36 HG2 GLU 36 -9.276 1.655 5.442 144 2HG GLU 36 HG1 GLU 36 -9.599 2.916 4.253 145 H VAL 37 HN VAL 37 -6.896 0.890 4.600 146 HA VAL 37 HA VAL 37 -6.547 -2.049 4.610 147 HB VAL 37 HB VAL 37 -4.158 -1.742 5.107 148 1HG1 VAL 37 HG11 VAL 37 -4.524 -2.279 2.889 149 2HG1 VAL 37 HG12 VAL 37 -3.577 -0.796 2.768 150 3HG1 VAL 37 HG13 VAL 37 -5.325 -0.746 2.544 151 1HG2 VAL 37 HG21 VAL 37 -3.877 0.354 6.026 152 2HG2 VAL 37 HG22 VAL 37 -4.887 1.139 4.811 153 3HG2 VAL 37 HG23 VAL 37 -3.264 0.590 4.390 154 H VAL 38 HN VAL 38 -6.787 -3.025 6.425 155 HA VAL 38 HA VAL 38 -6.396 -1.553 8.939 156 HB VAL 38 HB VAL 38 -8.266 -2.869 9.919 157 1HG1 VAL 38 HG11 VAL 38 -9.011 -1.133 7.567 158 2HG1 VAL 38 HG12 VAL 38 -8.626 -0.572 9.195 159 3HG1 VAL 38 HG13 VAL 38 -10.069 -1.546 8.917 160 1HG2 VAL 38 HG21 VAL 38 -8.562 -3.774 7.072 161 2HG2 VAL 38 HG22 VAL 38 -9.916 -3.798 8.201 162 3HG2 VAL 38 HG23 VAL 38 -8.471 -4.750 8.537 163 H ASP 39 HN ASP 39 -5.279 -2.624 10.480 164 HA ASP 39 HA ASP 39 -4.012 -5.113 9.731 165 1HB ASP 39 HB2 ASP 39 -3.302 -2.887 11.327 166 2HB ASP 39 HB1 ASP 39 -3.344 -4.281 12.401 167 H GLU 40 HN GLU 40 -5.162 -6.913 10.034 168 HA GLU 40 HA GLU 40 -7.286 -7.270 11.790 169 1HB GLU 40 HB2 GLU 40 -6.197 -8.753 9.808 170 2HB GLU 40 HB1 GLU 40 -5.654 -9.668 11.208 171 1HG GLU 40 HG2 GLU 40 -8.287 -9.236 11.789 172 2HG GLU 40 HG1 GLU 40 -8.314 -9.426 10.037 173 H THR 41 HN THR 41 -6.924 -6.642 13.877 174 HA THR 41 HA THR 41 -6.200 -6.726 16.034 175 HB THR 41 HB THR 41 -5.337 -9.563 15.572 176 HG1 THR 41 HG1 THR 41 -7.990 -8.573 15.594 177 1HG2 THR 41 HG21 THR 41 -5.802 -9.927 17.744 178 2HG2 THR 41 HG22 THR 41 -7.149 -8.789 17.764 179 3HG2 THR 41 HG23 THR 41 -5.491 -8.195 17.859 180 H GLN 42 HN GLN 42 -4.282 -5.886 14.039 181 HA GLN 42 HA GLN 42 -2.078 -5.362 13.841 182 1HB GLN 42 HB2 GLN 42 -2.517 -5.764 16.732 183 2HB GLN 42 HB1 GLN 42 -0.838 -5.837 16.214 184 1HG GLN 42 HG2 GLN 42 -1.919 -3.603 14.932 185 2HG GLN 42 HG1 GLN 42 -2.544 -3.556 16.580 186 1HE2 GLN 42 HE21 GLN 42 -0.850 -1.613 15.678 187 2HE2 GLN 42 HE22 GLN 42 0.678 -1.753 16.470 188 H ASN 43 HN ASN 43 -2.122 -7.371 12.461 189 HA ASN 43 HA ASN 43 0.193 -8.936 13.044 190 1HB ASN 43 HB2 ASN 43 -2.405 -10.005 13.801 191 2HB ASN 43 HB1 ASN 43 -1.597 -11.038 12.627 192 1HD2 ASN 43 HD21 ASN 43 0.731 -11.502 13.128 193 2HD2 ASN 43 HD22 ASN 43 1.125 -11.825 14.779 194 H THR 44 HN THR 44 -2.695 -9.939 11.250 195 HA THR 44 HA THR 44 -1.120 -10.102 8.815 196 HB THR 44 HB THR 44 -4.072 -10.631 8.941 197 HG1 THR 44 HG1 THR 44 -2.049 -12.375 9.894 198 1HG2 THR 44 HG21 THR 44 -3.563 -11.254 6.858 199 2HG2 THR 44 HG22 THR 44 -2.939 -12.710 7.632 200 3HG2 THR 44 HG23 THR 44 -1.841 -11.396 7.209 201 H LEU 45 HN LEU 45 -1.954 -9.116 6.774 202 HA LEU 45 HA LEU 45 -3.125 -6.480 7.398 203 1HB LEU 45 HB2 LEU 45 -1.650 -7.170 4.873 204 2HB LEU 45 HB1 LEU 45 -1.975 -5.583 5.544 205 1HD1 LEU 45 HD11 LEU 45 1.025 -5.340 5.408 206 2HD1 LEU 45 HD12 LEU 45 0.397 -6.686 4.455 207 3HD1 LEU 45 HD13 LEU 45 1.618 -6.975 5.695 208 1HD2 LEU 45 HD21 LEU 45 0.753 -5.278 7.732 209 2HD2 LEU 45 HD22 LEU 45 -0.717 -5.930 8.456 210 3HD2 LEU 45 HD23 LEU 45 -0.824 -4.666 7.230 211 H LYS 46 HN LYS 46 -5.115 -6.054 6.720 212 HA LYS 46 HA LYS 46 -6.240 -7.746 4.582 213 1HB LYS 46 HB2 LYS 46 -7.228 -7.544 7.052 214 2HB LYS 46 HB1 LYS 46 -7.992 -6.119 6.364 215 1HG LYS 46 HG2 LYS 46 -9.103 -7.431 4.704 216 2HG LYS 46 HG1 LYS 46 -8.204 -8.874 5.175 217 1HD LYS 46 HD2 LYS 46 -9.251 -8.587 7.477 218 2HD LYS 46 HD1 LYS 46 -10.331 -7.414 6.722 219 1HE LYS 46 HE2 LYS 46 -11.565 -9.011 5.759 220 2HE LYS 46 HE1 LYS 46 -10.143 -9.913 5.234 221 1HZ LYS 46 HZ1 LYS 46 -11.770 -10.236 7.617 222 2HZ LYS 46 HZ2 LYS 46 -10.101 -10.395 7.850 223 3HZ LYS 46 HZ3 LYS 46 -10.896 -11.387 6.735 224 H ILE 47 HN ILE 47 -6.645 -6.770 2.686 225 HA ILE 47 HA ILE 47 -7.016 -3.841 2.717 226 HB ILE 47 HB ILE 47 -4.808 -4.251 1.868 227 1HG1 ILE 47 HG12 ILE 47 -4.955 -3.209 -0.304 228 2HG1 ILE 47 HG11 ILE 47 -6.603 -3.783 -0.522 229 1HG2 ILE 47 HG21 ILE 47 -6.006 -6.071 -0.208 230 2HG2 ILE 47 HG22 ILE 47 -5.235 -6.638 1.273 231 3HG2 ILE 47 HG23 ILE 47 -4.297 -5.741 0.078 232 1HD1 ILE 47 HD11 ILE 47 -6.427 -2.234 1.875 233 2HD1 ILE 47 HD12 ILE 47 -7.407 -1.963 0.436 234 3HD1 ILE 47 HD13 ILE 47 -5.765 -1.327 0.519 235 H MET 48 HN MET 48 -8.682 -3.050 1.515 236 HA MET 48 HA MET 48 -10.093 -5.007 -0.194 237 1HB MET 48 HB2 MET 48 -12.196 -3.767 0.421 238 2HB MET 48 HB1 MET 48 -11.459 -4.676 1.732 239 1HG MET 48 HG2 MET 48 -11.140 -2.852 2.964 240 2HG MET 48 HG1 MET 48 -10.514 -1.932 1.598 241 1HE MET 48 HE1 MET 48 -13.281 0.246 0.467 242 2HE MET 48 HE2 MET 48 -11.930 -0.717 -0.128 243 3HE MET 48 HE3 MET 48 -11.707 0.354 1.255 244 H THR 49 HN THR 49 -10.265 -4.465 -2.291 245 HA THR 49 HA THR 49 -10.346 -1.612 -2.968 246 HB THR 49 HB THR 49 -8.805 -2.012 -4.841 247 HG1 THR 49 HG1 THR 49 -7.560 -4.012 -4.690 248 1HG2 THR 49 HG21 THR 49 -7.060 -1.469 -3.591 249 2HG2 THR 49 HG22 THR 49 -7.056 -3.042 -2.793 250 3HG2 THR 49 HG23 THR 49 -8.085 -1.746 -2.183 251 H GLU 50 HN GLU 50 -9.962 -3.886 -5.561 252 HA GLU 50 HA GLU 50 -12.566 -3.202 -6.557 253 1HB GLU 50 HB2 GLU 50 -10.140 -3.973 -7.714 254 2HB GLU 50 HB1 GLU 50 -11.251 -5.275 -8.096 255 1HG GLU 50 HG2 GLU 50 -12.402 -2.635 -8.510 256 2HG GLU 50 HG1 GLU 50 -10.973 -2.945 -9.497 257 H LYS 51 HN LYS 51 -11.260 -6.472 -6.846 258 HA LYS 51 HA LYS 51 -13.617 -7.814 -6.905 259 1HB LYS 51 HB2 LYS 51 -11.026 -8.582 -6.858 260 2HB LYS 51 HB1 LYS 51 -11.570 -9.203 -5.305 261 1HG LYS 51 HG2 LYS 51 -13.577 -10.014 -6.951 262 2HG LYS 51 HG1 LYS 51 -12.174 -10.111 -8.018 263 1HD LYS 51 HD2 LYS 51 -11.030 -11.554 -6.476 264 2HD LYS 51 HD1 LYS 51 -12.296 -11.338 -5.266 265 1HE LYS 51 HE2 LYS 51 -12.421 -13.497 -6.507 266 2HE LYS 51 HE1 LYS 51 -13.881 -12.514 -6.614 267 1HZ LYS 51 HZ1 LYS 51 -13.126 -13.529 -8.749 268 2HZ LYS 51 HZ2 LYS 51 -11.769 -12.520 -8.695 269 3HZ LYS 51 HZ3 LYS 51 -13.317 -11.848 -8.801 270 H GLY 52 HN GLY 52 -12.130 -6.470 -4.054 271 1HA GLY 52 HA2 GLY 52 -14.063 -6.022 -2.405 272 2HA GLY 52 HA1 GLY 52 -14.165 -7.775 -2.380 273 H LEU 53 HN LEU 53 -13.473 -8.400 -0.463 274 HA LEU 53 HA LEU 53 -11.150 -7.097 0.742 275 1HB LEU 53 HB2 LEU 53 -13.549 -8.424 1.742 276 2HB LEU 53 HB1 LEU 53 -12.091 -8.947 2.564 277 HG LEU 53 HG LEU 53 -11.664 -6.338 2.729 278 1HD1 LEU 53 HD11 LEU 53 -14.621 -6.286 3.024 279 2HD1 LEU 53 HD12 LEU 53 -13.932 -6.110 1.411 280 3HD1 LEU 53 HD13 LEU 53 -13.494 -4.972 2.685 281 1HD2 LEU 53 HD21 LEU 53 -13.107 -8.268 4.421 282 2HD2 LEU 53 HD22 LEU 53 -13.303 -6.569 4.853 283 3HD2 LEU 53 HD23 LEU 53 -11.690 -7.279 4.776 284 H LYS 54 HN LYS 54 -9.242 -8.004 0.759 285 HA LYS 54 HA LYS 54 -8.994 -10.905 0.442 286 1HB LYS 54 HB2 LYS 54 -8.197 -8.978 -1.431 287 2HB LYS 54 HB1 LYS 54 -6.714 -9.483 -0.634 288 1HG LYS 54 HG2 LYS 54 -6.996 -10.868 -2.530 289 2HG LYS 54 HG1 LYS 54 -7.371 -11.852 -1.114 290 1HD LYS 54 HD2 LYS 54 -9.821 -10.877 -1.686 291 2HD LYS 54 HD1 LYS 54 -9.118 -10.927 -3.305 292 1HE LYS 54 HE2 LYS 54 -8.591 -13.332 -1.736 293 2HE LYS 54 HE1 LYS 54 -10.308 -13.033 -1.998 294 1HZ LYS 54 HZ1 LYS 54 -8.204 -13.304 -4.072 295 2HZ LYS 54 HZ2 LYS 54 -9.786 -12.804 -4.400 296 3HZ LYS 54 HZ3 LYS 54 -9.501 -14.354 -3.784 297 H VAL 55 HN VAL 55 -7.545 -11.891 1.767 298 HA VAL 55 HA VAL 55 -6.152 -10.161 3.695 299 HB VAL 55 HB VAL 55 -6.095 -12.200 5.153 300 1HG1 VAL 55 HG11 VAL 55 -7.682 -10.708 5.866 301 2HG1 VAL 55 HG12 VAL 55 -8.697 -12.105 5.508 302 3HG1 VAL 55 HG13 VAL 55 -8.584 -10.777 4.351 303 1HG2 VAL 55 HG21 VAL 55 -6.950 -14.180 4.535 304 2HG2 VAL 55 HG22 VAL 55 -6.808 -13.553 2.893 305 3HG2 VAL 55 HG23 VAL 55 -8.345 -13.440 3.749 306 H VAL 56 HN VAL 56 -4.027 -10.159 3.775 307 HA VAL 56 HA VAL 56 -2.532 -12.377 2.555 308 HB VAL 56 HB VAL 56 -1.735 -9.470 2.365 309 1HG1 VAL 56 HG11 VAL 56 -0.133 -11.648 2.236 310 2HG1 VAL 56 HG12 VAL 56 0.180 -10.134 1.388 311 3HG1 VAL 56 HG13 VAL 56 -0.595 -11.475 0.543 312 1HG2 VAL 56 HG21 VAL 56 -2.438 -10.919 -0.092 313 2HG2 VAL 56 HG22 VAL 56 -2.780 -9.255 0.384 314 3HG2 VAL 56 HG23 VAL 56 -3.793 -10.569 0.981 315 H ALA 57 HN ALA 57 -0.783 -13.088 3.646 316 HA ALA 57 HA ALA 57 0.018 -11.629 6.075 317 1HB ALA 57 HB1 ALA 57 -1.212 -13.431 6.927 318 2HB ALA 57 HB2 ALA 57 0.468 -13.957 7.039 319 3HB ALA 57 HB3 ALA 57 -0.559 -14.555 5.735 320 H LYS 58 HN LYS 58 2.154 -11.310 6.313 321 HA LYS 58 HA LYS 58 4.388 -11.316 5.892 322 1HB LYS 58 HB2 LYS 58 3.850 -14.122 4.902 323 2HB LYS 58 HB1 LYS 58 5.439 -13.450 5.243 324 1HG LYS 58 HG2 LYS 58 5.235 -14.234 7.303 325 2HG LYS 58 HG1 LYS 58 3.981 -13.022 7.572 326 1HD LYS 58 HD2 LYS 58 3.104 -15.171 8.183 327 2HD LYS 58 HD1 LYS 58 2.310 -14.649 6.696 328 1HE LYS 58 HE2 LYS 58 3.831 -16.057 5.395 329 2HE LYS 58 HE1 LYS 58 4.625 -16.575 6.881 330 1HZ LYS 58 HZ1 LYS 58 2.639 -17.915 5.731 331 2HZ LYS 58 HZ2 LYS 58 1.746 -16.943 6.790 332 3HZ LYS 58 HZ3 LYS 58 2.951 -17.965 7.394 333 H ARG 59 HN ARG 59 3.820 -9.696 4.247 334 HA ARG 59 HA ARG 59 4.103 -8.753 2.200 335 1HB ARG 59 HB2 ARG 59 5.827 -11.199 1.953 336 2HB ARG 59 HB1 ARG 59 5.615 -10.108 0.590 337 1HG ARG 59 HG2 ARG 59 7.530 -9.287 1.544 338 2HG ARG 59 HG1 ARG 59 6.303 -8.274 2.307 339 1HD ARG 59 HD2 ARG 59 7.080 -10.823 3.635 340 2HD ARG 59 HD1 ARG 59 8.190 -9.457 3.723 341 HE ARG 59 HE ARG 59 5.663 -9.730 5.068 342 1HH1 ARG 59 HH11 ARG 59 8.045 -7.472 3.879 343 2HH1 ARG 59 HH12 ARG 59 7.584 -6.216 4.978 344 1HH2 ARG 59 HH21 ARG 59 5.056 -8.077 6.513 345 2HH2 ARG 59 HH22 ARG 59 5.888 -6.558 6.473 346 H GLY 60 HN GLY 60 3.979 -9.392 -0.316 347 1HA GLY 60 HA2 GLY 60 2.825 -11.102 -1.758 348 2HA GLY 60 HA1 GLY 60 1.528 -11.023 -0.575 349 H ARG 61 HN ARG 61 2.332 -10.047 -3.568 350 HA ARG 61 HA ARG 61 1.418 -8.541 -5.018 351 1HB ARG 61 HB2 ARG 61 -0.344 -7.623 -2.746 352 2HB ARG 61 HB1 ARG 61 -0.636 -7.442 -4.469 353 1HG ARG 61 HG2 ARG 61 -0.607 -10.029 -2.927 354 2HG ARG 61 HG1 ARG 61 -2.030 -9.193 -3.549 355 1HD ARG 61 HD2 ARG 61 -1.560 -9.744 -5.740 356 2HD ARG 61 HD1 ARG 61 0.160 -9.950 -5.428 357 HE ARG 61 HE ARG 61 -1.483 -11.887 -4.092 358 1HH1 ARG 61 HH11 ARG 61 0.147 -11.101 -7.076 359 2HH1 ARG 61 HH12 ARG 61 0.276 -12.751 -7.586 360 1HH2 ARG 61 HH21 ARG 61 -1.314 -14.058 -4.761 361 2HH2 ARG 61 HH22 ARG 61 -0.554 -14.429 -6.273 362 H THR 62 HN THR 62 0.710 -5.927 -4.891 363 HA THR 62 HA THR 62 2.952 -4.668 -3.424 364 HB THR 62 HB THR 62 1.939 -3.947 -6.183 365 HG1 THR 62 HG1 THR 62 3.293 -5.875 -5.957 366 1HG2 THR 62 HG21 THR 62 3.463 -2.239 -6.311 367 2HG2 THR 62 HG22 THR 62 4.459 -2.882 -5.005 368 3HG2 THR 62 HG23 THR 62 2.919 -2.102 -4.639 369 H PHE 63 HN PHE 63 2.300 -3.118 -2.028 370 HA PHE 63 HA PHE 63 -0.180 -1.680 -2.698 371 1HB PHE 63 HB2 PHE 63 -0.168 -1.866 0.112 372 2HB PHE 63 HB1 PHE 63 -1.288 -2.624 -1.012 373 HD1 PHE 63 HD1 PHE 63 2.229 -3.258 0.071 374 HD2 PHE 63 HD2 PHE 63 -1.678 -4.822 -0.537 375 HE1 PHE 63 HE1 PHE 63 3.005 -5.468 0.820 376 HE2 PHE 63 HE2 PHE 63 -0.911 -7.037 0.210 377 HZ PHE 63 HZ PHE 63 1.433 -7.362 0.890 378 H ARG 64 HN ARG 64 -0.392 0.399 -1.720 379 HA ARG 64 HA ARG 64 2.088 1.564 -0.615 380 1HB ARG 64 HB2 ARG 64 0.321 2.516 -2.832 381 2HB ARG 64 HB1 ARG 64 1.014 3.724 -1.759 382 1HG ARG 64 HG2 ARG 64 3.102 1.970 -2.487 383 2HG ARG 64 HG1 ARG 64 2.217 2.374 -3.960 384 1HD ARG 64 HD2 ARG 64 2.856 4.584 -2.085 385 2HD ARG 64 HD1 ARG 64 4.186 3.892 -3.010 386 HE ARG 64 HE ARG 64 2.043 5.529 -4.008 387 1HH1 ARG 64 HH11 ARG 64 4.438 3.130 -4.841 388 2HH1 ARG 64 HH12 ARG 64 4.484 3.576 -6.513 389 1HH2 ARG 64 HH21 ARG 64 2.104 6.117 -6.207 390 2HH2 ARG 64 HH22 ARG 64 3.159 5.273 -7.289 391 H VAL 65 HN VAL 65 1.752 2.440 1.389 392 HA VAL 65 HA VAL 65 -1.059 2.933 2.125 393 HB VAL 65 HB VAL 65 1.218 2.106 3.915 394 1HG1 VAL 65 HG11 VAL 65 -0.539 1.800 5.625 395 2HG1 VAL 65 HG12 VAL 65 -1.701 2.545 4.529 396 3HG1 VAL 65 HG13 VAL 65 -0.341 3.484 5.139 397 1HG2 VAL 65 HG21 VAL 65 -1.107 0.352 3.648 398 2HG2 VAL 65 HG22 VAL 65 0.614 -0.032 3.641 399 3HG2 VAL 65 HG23 VAL 65 -0.169 0.537 2.167 400 H TRP 66 HN TRP 66 -1.716 4.700 3.093 401 HA TRP 66 HA TRP 66 0.220 6.796 3.796 402 1HB TRP 66 HB2 TRP 66 -2.545 7.303 2.696 403 2HB TRP 66 HB1 TRP 66 -1.269 8.479 2.966 404 HD1 TRP 66 HD1 TRP 66 1.045 7.893 1.315 405 HE1 TRP 66 HE1 TRP 66 0.985 7.416 -1.213 406 HE3 TRP 66 HE3 TRP 66 -3.831 6.447 0.880 407 HZ2 TRP 66 HZ2 TRP 66 -0.894 6.544 -3.137 408 HZ3 TRP 66 HZ3 TRP 66 -4.691 5.804 -1.318 409 HH2 TRP 66 HH2 TRP 66 -3.247 5.864 -3.296 410 H TYR 67 HN TYR 67 0.085 7.401 5.838 411 HA TYR 67 HA TYR 67 -2.352 6.778 7.370 412 1HB TYR 67 HB2 TYR 67 0.537 7.013 8.219 413 2HB TYR 67 HB1 TYR 67 -0.792 6.965 9.370 414 HD1 TYR 67 HD1 TYR 67 1.114 5.034 6.891 415 HD2 TYR 67 HD2 TYR 67 -1.971 4.912 9.818 416 HE1 TYR 67 HE1 TYR 67 1.181 2.578 6.851 417 HE2 TYR 67 HE2 TYR 67 -1.913 2.455 9.784 418 HH TYR 67 HH TYR 67 -0.971 0.664 7.659 419 H LYS 68 HN LYS 68 -2.471 8.312 9.393 420 HA LYS 68 HA LYS 68 -2.723 10.979 8.334 421 1HB LYS 68 HB2 LYS 68 -3.884 9.477 10.462 422 2HB LYS 68 HB1 LYS 68 -3.177 10.929 11.153 423 1HG LYS 68 HG2 LYS 68 -5.015 10.992 8.779 424 2HG LYS 68 HG1 LYS 68 -5.590 11.083 10.445 425 1HD LYS 68 HD2 LYS 68 -3.464 12.946 9.452 426 2HD LYS 68 HD1 LYS 68 -5.169 13.278 9.144 427 1HE LYS 68 HE2 LYS 68 -5.658 13.404 11.455 428 2HE LYS 68 HE1 LYS 68 -4.098 12.713 11.897 429 1HZ LYS 68 HZ1 LYS 68 -3.314 14.865 10.553 430 2HZ LYS 68 HZ2 LYS 68 -3.584 14.865 12.223 431 3HZ LYS 68 HZ3 LYS 68 -4.778 15.442 11.174 432 H GLY 69 HN GLY 69 -0.177 10.691 8.056 433 1HA GLY 69 HA2 GLY 69 1.040 12.675 9.571 434 2HA GLY 69 HA1 GLY 69 1.455 11.146 10.327 435 H LYS 70 HN LYS 70 2.012 9.437 8.391 436 HA LYS 70 HA LYS 70 3.899 10.790 6.588 437 1HB LYS 70 HB2 LYS 70 4.479 8.826 8.706 438 2HB LYS 70 HB1 LYS 70 5.244 8.495 7.158 439 1HG LYS 70 HG2 LYS 70 6.566 10.357 7.255 440 2HG LYS 70 HG1 LYS 70 5.428 11.246 8.268 441 1HD LYS 70 HD2 LYS 70 6.345 8.930 9.680 442 2HD LYS 70 HD1 LYS 70 7.736 9.827 9.065 443 1HE LYS 70 HE2 LYS 70 6.555 11.901 10.025 444 2HE LYS 70 HE1 LYS 70 5.574 10.748 10.929 445 1HZ LYS 70 HZ1 LYS 70 7.853 11.730 11.841 446 2HZ LYS 70 HZ2 LYS 70 8.456 10.367 11.044 447 3HZ LYS 70 HZ3 LYS 70 7.291 10.189 12.257 448 H ILE 71 HN ILE 71 4.704 9.350 4.836 449 HA ILE 71 HA ILE 71 2.674 7.361 4.047 450 HB ILE 71 HB ILE 71 2.953 8.063 1.715 451 1HG1 ILE 71 HG12 ILE 71 4.096 10.638 2.009 452 2HG1 ILE 71 HG11 ILE 71 5.186 9.508 2.805 453 1HG2 ILE 71 HG21 ILE 71 1.676 10.098 1.837 454 2HG2 ILE 71 HG22 ILE 71 2.238 10.397 3.482 455 3HG2 ILE 71 HG23 ILE 71 1.177 9.028 3.148 456 1HD1 ILE 71 HD11 ILE 71 5.335 10.083 0.217 457 2HD1 ILE 71 HD12 ILE 71 4.190 8.743 0.133 458 3HD1 ILE 71 HD13 ILE 71 5.775 8.505 0.869 459 H MET 72 HN MET 72 3.441 5.415 3.476 460 HA MET 72 HA MET 72 6.244 5.184 2.624 461 1HB MET 72 HB2 MET 72 4.987 4.000 5.019 462 2HB MET 72 HB1 MET 72 5.956 2.893 4.057 463 1HG MET 72 HG2 MET 72 7.898 3.907 4.590 464 2HG MET 72 HG1 MET 72 7.172 5.512 4.657 465 1HE MET 72 HE1 MET 72 6.965 2.056 6.236 466 2HE MET 72 HE2 MET 72 7.077 2.343 7.973 467 3HE MET 72 HE3 MET 72 8.503 2.539 6.953 468 H ARG 73 HN ARG 73 6.723 3.184 1.476 469 HA ARG 73 HA ARG 73 4.322 1.995 0.239 470 1HB ARG 73 HB2 ARG 73 5.877 1.632 -1.767 471 2HB ARG 73 HB1 ARG 73 5.302 3.267 -1.474 472 1HG ARG 73 HG2 ARG 73 7.815 2.689 -0.125 473 2HG ARG 73 HG1 ARG 73 7.911 2.519 -1.877 474 1HD ARG 73 HD2 ARG 73 6.484 4.850 -1.554 475 2HD ARG 73 HD1 ARG 73 7.652 4.914 -0.235 476 HE ARG 73 HE ARG 73 8.195 5.152 -3.048 477 1HH1 ARG 73 HH11 ARG 73 9.537 4.325 0.067 478 2HH1 ARG 73 HH12 ARG 73 11.169 4.656 -0.408 479 1HH2 ARG 73 HH21 ARG 73 10.340 5.588 -3.674 480 2HH2 ARG 73 HH22 ARG 73 11.624 5.373 -2.532 481 H ILE 74 HN ILE 74 4.171 -0.193 0.214 482 HA ILE 74 HA ILE 74 6.571 -1.713 1.010 483 HB ILE 74 HB ILE 74 5.088 -1.567 2.930 484 1HG1 ILE 74 HG12 ILE 74 4.658 -4.046 3.248 485 2HG1 ILE 74 HG11 ILE 74 5.192 -4.270 1.586 486 1HG2 ILE 74 HG21 ILE 74 2.877 -1.619 2.789 487 2HG2 ILE 74 HG22 ILE 74 2.906 -3.188 1.986 488 3HG2 ILE 74 HG23 ILE 74 3.045 -1.709 1.036 489 1HD1 ILE 74 HD11 ILE 74 6.764 -4.241 3.876 490 2HD1 ILE 74 HD12 ILE 74 7.101 -2.710 3.066 491 3HD1 ILE 74 HD13 ILE 74 7.316 -4.232 2.201 492 H LYS 75 HN LYS 75 7.040 -3.460 -0.160 493 HA LYS 75 HA LYS 75 5.007 -4.530 -1.992 494 1HB LYS 75 HB2 LYS 75 6.783 -4.803 -3.711 495 2HB LYS 75 HB1 LYS 75 6.433 -3.122 -3.335 496 1HG LYS 75 HG2 LYS 75 8.655 -2.923 -3.203 497 2HG LYS 75 HG1 LYS 75 8.450 -3.629 -1.598 498 1HD LYS 75 HD2 LYS 75 9.387 -5.588 -2.203 499 2HD LYS 75 HD1 LYS 75 8.639 -5.569 -3.801 500 1HE LYS 75 HE2 LYS 75 10.299 -4.040 -4.621 501 2HE LYS 75 HE1 LYS 75 10.978 -3.843 -3.006 502 1HZ LYS 75 HZ1 LYS 75 12.148 -5.414 -4.619 503 2HZ LYS 75 HZ2 LYS 75 10.883 -6.493 -4.305 504 3HZ LYS 75 HZ3 LYS 75 11.880 -5.968 -3.043 505 H GLY 76 HN GLY 76 5.119 -6.745 -2.405 506 1HA GLY 76 HA2 GLY 76 6.439 -8.280 -0.344 507 2HA GLY 76 HA1 GLY 76 5.380 -8.905 -1.598 508 H ASP 77 HN ASP 77 8.024 -9.825 -0.577 509 HA ASP 77 HA ASP 77 9.540 -9.700 -3.101 510 1HB ASP 77 HB2 ASP 77 10.371 -9.742 -0.251 511 2HB ASP 77 HB1 ASP 77 11.370 -10.654 -1.377 Start of MODEL 9 1 1H GLY 17 HN GLY 17 -7.186 4.978 11.156 2 1HA GLY 17 HA2 GLY 17 -8.864 5.506 8.794 3 2HA GLY 17 HA1 GLY 17 -7.820 6.684 9.573 4 H LEU 18 HN LEU 18 -7.353 3.390 8.268 5 HA LEU 18 HA LEU 18 -4.862 4.288 7.038 6 1HB LEU 18 HB2 LEU 18 -6.047 1.518 7.166 7 2HB LEU 18 HB1 LEU 18 -4.437 1.926 6.611 8 HG LEU 18 HG LEU 18 -4.144 2.906 9.013 9 1HD1 LEU 18 HD11 LEU 18 -6.519 1.092 9.310 10 2HD1 LEU 18 HD12 LEU 18 -6.331 2.755 9.864 11 3HD1 LEU 18 HD13 LEU 18 -5.431 1.458 10.649 12 1HD2 LEU 18 HD21 LEU 18 -3.976 0.122 8.020 13 2HD2 LEU 18 HD22 LEU 18 -3.774 0.374 9.754 14 3HD2 LEU 18 HD23 LEU 18 -2.708 1.194 8.612 15 H MET 19 HN MET 19 -5.234 5.374 5.203 16 HA MET 19 HA MET 19 -7.111 4.189 3.233 17 1HB MET 19 HB2 MET 19 -6.862 6.810 4.110 18 2HB MET 19 HB1 MET 19 -5.983 6.816 2.588 19 1HG MET 19 HG2 MET 19 -7.842 6.584 1.359 20 2HG MET 19 HG1 MET 19 -8.586 5.470 2.505 21 1HE MET 19 HE1 MET 19 -9.665 7.674 0.695 22 2HE MET 19 HE2 MET 19 -9.079 9.265 1.183 23 3HE MET 19 HE3 MET 19 -10.722 8.765 1.589 24 H VAL 20 HN VAL 20 -6.212 3.180 1.472 25 HA VAL 20 HA VAL 20 -3.461 3.936 0.794 26 HB VAL 20 HB VAL 20 -2.706 1.683 0.900 27 1HG1 VAL 20 HG11 VAL 20 -2.861 1.237 3.259 28 2HG1 VAL 20 HG12 VAL 20 -4.330 2.208 3.376 29 3HG1 VAL 20 HG13 VAL 20 -2.794 2.979 3.011 30 1HG2 VAL 20 HG21 VAL 20 -4.086 -0.198 1.482 31 2HG2 VAL 20 HG22 VAL 20 -4.823 0.636 0.112 32 3HG2 VAL 20 HG23 VAL 20 -5.476 0.857 1.734 33 H GLU 21 HN GLU 21 -2.687 2.581 -1.099 34 HA GLU 21 HA GLU 21 -4.852 2.133 -3.061 35 1HB GLU 21 HB2 GLU 21 -2.416 3.747 -3.305 36 2HB GLU 21 HB1 GLU 21 -2.491 2.486 -4.521 37 1HG GLU 21 HG2 GLU 21 -4.888 4.188 -4.079 38 2HG GLU 21 HG1 GLU 21 -3.517 4.851 -4.965 39 H VAL 22 HN VAL 22 -4.931 -0.055 -3.490 40 HA VAL 22 HA VAL 22 -2.403 -1.512 -3.016 41 HB VAL 22 HB VAL 22 -5.124 -2.556 -2.307 42 1HG1 VAL 22 HG11 VAL 22 -4.096 -4.441 -1.604 43 2HG1 VAL 22 HG12 VAL 22 -2.701 -3.567 -0.970 44 3HG1 VAL 22 HG13 VAL 22 -2.807 -3.928 -2.689 45 1HG2 VAL 22 HG21 VAL 22 -3.517 -0.600 -0.939 46 2HG2 VAL 22 HG22 VAL 22 -3.647 -2.061 0.036 47 3HG2 VAL 22 HG23 VAL 22 -5.105 -1.235 -0.514 48 H VAL 23 HN VAL 23 -1.842 -3.164 -4.212 49 HA VAL 23 HA VAL 23 -3.729 -4.143 -6.238 50 HB VAL 23 HB VAL 23 -1.684 -4.614 -7.672 51 1HG1 VAL 23 HG11 VAL 23 -3.354 -2.506 -7.661 52 2HG1 VAL 23 HG12 VAL 23 -2.069 -2.727 -8.850 53 3HG1 VAL 23 HG13 VAL 23 -1.813 -1.676 -7.456 54 1HG2 VAL 23 HG21 VAL 23 -0.427 -2.702 -5.709 55 2HG2 VAL 23 HG22 VAL 23 0.273 -3.133 -7.269 56 3HG2 VAL 23 HG23 VAL 23 0.052 -4.369 -6.031 57 H GLU 24 HN GLU 24 -4.158 -6.146 -5.777 58 HA GLU 24 HA GLU 24 -2.105 -8.029 -4.960 59 1HB GLU 24 HB2 GLU 24 -3.759 -8.929 -3.211 60 2HB GLU 24 HB1 GLU 24 -2.863 -7.471 -2.816 61 1HG GLU 24 HG2 GLU 24 -4.706 -6.225 -2.684 62 2HG GLU 24 HG1 GLU 24 -5.416 -6.953 -4.124 63 H SER 25 HN SER 25 -3.220 -10.299 -4.723 64 HA SER 25 HA SER 25 -4.268 -12.037 -5.731 65 1HB SER 25 HB2 SER 25 -6.304 -10.295 -7.033 66 2HB SER 25 HB1 SER 25 -6.509 -11.821 -6.175 67 HG SER 25 HG SER 25 -7.333 -10.002 -5.011 68 HA PRO 26 HA PRO 26 -2.180 -11.445 -9.720 69 1HB PRO 26 HB2 PRO 26 -2.086 -14.381 -9.691 70 2HB PRO 26 HB1 PRO 26 -0.760 -13.219 -9.766 71 1HG PRO 26 HG2 PRO 26 -1.236 -14.699 -7.569 72 2HG PRO 26 HG1 PRO 26 -0.603 -13.045 -7.475 73 1HD PRO 26 HD2 PRO 26 -3.398 -14.032 -7.040 74 2HD PRO 26 HD1 PRO 26 -2.478 -12.816 -6.129 75 H ASN 27 HN ASN 27 -5.115 -12.839 -8.858 76 HA ASN 27 HA ASN 27 -6.109 -14.347 -10.829 77 1HB ASN 27 HB2 ASN 27 -7.235 -13.078 -8.789 78 2HB ASN 27 HB1 ASN 27 -7.768 -11.989 -10.064 79 1HD2 ASN 27 HD21 ASN 27 -9.636 -13.291 -8.653 80 2HD2 ASN 27 HD22 ASN 27 -10.376 -14.529 -9.605 81 H HIS 28 HN HIS 28 -7.371 -13.940 -12.757 82 HA HIS 28 HA HIS 28 -6.051 -12.545 -14.730 83 1HB HIS 28 HB2 HIS 28 -9.028 -13.065 -14.718 84 2HB HIS 28 HB1 HIS 28 -7.983 -12.892 -16.124 85 HD1 HIS 28 HD1 HIS 28 -9.708 -15.419 -14.500 86 HD2 HIS 28 HD2 HIS 28 -5.764 -15.071 -15.759 87 HE1 HIS 28 HE1 HIS 28 -8.851 -17.777 -14.687 88 HE2 HIS 28 HE2 HIS 28 -6.447 -17.540 -15.406 89 H SER 29 HN SER 29 -8.975 -11.503 -12.981 90 HA SER 29 HA SER 29 -8.888 -8.884 -14.172 91 1HB SER 29 HB2 SER 29 -10.625 -10.170 -12.073 92 2HB SER 29 HB1 SER 29 -10.739 -8.448 -12.432 93 HG SER 29 HG SER 29 -11.618 -10.603 -13.877 94 H GLU 30 HN GLU 30 -7.923 -10.364 -11.144 95 HA GLU 30 HA GLU 30 -6.640 -9.620 -9.415 96 1HB GLU 30 HB2 GLU 30 -5.119 -8.953 -11.256 97 2HB GLU 30 HB1 GLU 30 -5.914 -7.388 -11.325 98 1HG GLU 30 HG2 GLU 30 -5.213 -7.527 -8.701 99 2HG GLU 30 HG1 GLU 30 -3.890 -8.398 -9.472 100 H VAL 31 HN VAL 31 -6.700 -8.185 -7.641 101 HA VAL 31 HA VAL 31 -8.880 -6.198 -7.808 102 HB VAL 31 HB VAL 31 -9.185 -8.150 -6.290 103 1HG1 VAL 31 HG11 VAL 31 -7.414 -6.782 -4.325 104 2HG1 VAL 31 HG12 VAL 31 -6.758 -7.987 -5.433 105 3HG1 VAL 31 HG13 VAL 31 -8.037 -8.430 -4.302 106 1HG2 VAL 31 HG21 VAL 31 -9.558 -6.220 -4.312 107 2HG2 VAL 31 HG22 VAL 31 -10.720 -6.797 -5.499 108 3HG2 VAL 31 HG23 VAL 31 -9.723 -5.394 -5.861 109 H GLY 32 HN GLY 32 -7.770 -4.480 -8.342 110 1HA GLY 32 HA2 GLY 32 -5.904 -3.442 -6.366 111 2HA GLY 32 HA1 GLY 32 -5.418 -3.402 -8.062 112 H ILE 33 HN ILE 33 -6.864 -1.710 -5.672 113 HA ILE 33 HA ILE 33 -7.503 0.356 -7.436 114 HB ILE 33 HB ILE 33 -9.740 0.651 -7.260 115 1HG1 ILE 33 HG12 ILE 33 -10.662 -1.559 -5.695 116 2HG1 ILE 33 HG11 ILE 33 -9.617 -0.508 -4.758 117 1HG2 ILE 33 HG21 ILE 33 -10.817 -1.268 -8.206 118 2HG2 ILE 33 HG22 ILE 33 -9.521 -2.306 -7.613 119 3HG2 ILE 33 HG23 ILE 33 -9.193 -1.092 -8.849 120 1HD1 ILE 33 HD11 ILE 33 -12.099 0.299 -6.255 121 2HD1 ILE 33 HD12 ILE 33 -11.039 1.396 -5.369 122 3HD1 ILE 33 HD13 ILE 33 -11.930 0.141 -4.507 123 H LYS 34 HN LYS 34 -9.016 1.886 -6.022 124 HA LYS 34 HA LYS 34 -7.251 2.649 -3.857 125 1HB LYS 34 HB2 LYS 34 -9.771 3.784 -5.050 126 2HB LYS 34 HB1 LYS 34 -9.307 4.287 -3.432 127 1HG LYS 34 HG2 LYS 34 -8.019 5.829 -4.359 128 2HG LYS 34 HG1 LYS 34 -6.985 4.530 -4.955 129 1HD LYS 34 HD2 LYS 34 -7.466 5.342 -6.990 130 2HD LYS 34 HD1 LYS 34 -9.017 4.526 -6.784 131 1HE LYS 34 HE2 LYS 34 -9.973 6.519 -7.057 132 2HE LYS 34 HE1 LYS 34 -9.345 6.939 -5.464 133 1HZ LYS 34 HZ1 LYS 34 -8.454 7.788 -8.090 134 2HZ LYS 34 HZ2 LYS 34 -7.219 7.430 -6.991 135 3HZ LYS 34 HZ3 LYS 34 -8.380 8.598 -6.606 136 H GLY 35 HN GLY 35 -7.447 1.717 -1.870 137 1HA GLY 35 HA2 GLY 35 -10.069 0.696 -1.051 138 2HA GLY 35 HA1 GLY 35 -8.713 -0.410 -1.121 139 H GLU 36 HN GLU 36 -9.875 -0.461 1.108 140 HA GLU 36 HA GLU 36 -8.431 1.376 2.933 141 1HB GLU 36 HB2 GLU 36 -11.059 1.130 2.870 142 2HB GLU 36 HB1 GLU 36 -10.733 -0.290 3.855 143 1HG GLU 36 HG2 GLU 36 -9.222 1.592 5.104 144 2HG GLU 36 HG1 GLU 36 -10.584 2.553 4.531 145 H VAL 37 HN VAL 37 -7.385 0.552 4.780 146 HA VAL 37 HA VAL 37 -7.007 -2.382 4.776 147 HB VAL 37 HB VAL 37 -4.609 -1.683 5.675 148 1HG1 VAL 37 HG11 VAL 37 -5.498 -1.930 2.810 149 2HG1 VAL 37 HG12 VAL 37 -4.867 -3.193 3.867 150 3HG1 VAL 37 HG13 VAL 37 -3.803 -1.908 3.294 151 1HG2 VAL 37 HG21 VAL 37 -3.722 0.268 4.791 152 2HG2 VAL 37 HG22 VAL 37 -5.336 0.770 5.296 153 3HG2 VAL 37 HG23 VAL 37 -5.010 0.428 3.599 154 H VAL 38 HN VAL 38 -6.918 -3.409 6.639 155 HA VAL 38 HA VAL 38 -7.007 -1.843 9.124 156 HB VAL 38 HB VAL 38 -9.263 -2.668 8.600 157 1HG1 VAL 38 HG11 VAL 38 -8.566 -5.493 9.050 158 2HG1 VAL 38 HG12 VAL 38 -8.062 -4.820 7.500 159 3HG1 VAL 38 HG13 VAL 38 -9.761 -4.772 7.970 160 1HG2 VAL 38 HG21 VAL 38 -7.742 -3.444 10.978 161 2HG2 VAL 38 HG22 VAL 38 -9.226 -4.365 10.741 162 3HG2 VAL 38 HG23 VAL 38 -9.288 -2.605 10.842 163 H ASP 39 HN ASP 39 -5.628 -2.499 10.650 164 HA ASP 39 HA ASP 39 -4.117 -3.722 11.829 165 1HB ASP 39 HB2 ASP 39 -5.008 -6.077 10.152 166 2HB ASP 39 HB1 ASP 39 -4.070 -6.150 11.638 167 H GLU 40 HN GLU 40 -2.676 -2.298 10.588 168 HA GLU 40 HA GLU 40 -1.247 -3.515 8.371 169 1HB GLU 40 HB2 GLU 40 -1.907 -0.969 8.781 170 2HB GLU 40 HB1 GLU 40 -0.353 -0.955 9.605 171 1HG GLU 40 HG2 GLU 40 -0.682 -1.964 6.798 172 2HG GLU 40 HG1 GLU 40 -0.362 -0.272 7.173 173 H THR 41 HN THR 41 -0.196 -1.941 11.399 174 HA THR 41 HA THR 41 2.117 -3.750 11.438 175 HB THR 41 HB THR 41 2.945 -2.085 13.205 176 HG1 THR 41 HG1 THR 41 1.678 -0.504 13.674 177 1HG2 THR 41 HG21 THR 41 2.771 -0.360 10.920 178 2HG2 THR 41 HG22 THR 41 3.130 -2.015 10.428 179 3HG2 THR 41 HG23 THR 41 4.169 -1.197 11.594 180 H GLN 42 HN GLN 42 -0.664 -4.389 12.343 181 HA GLN 42 HA GLN 42 -0.225 -4.788 15.214 182 1HB GLN 42 HB2 GLN 42 -2.643 -4.783 13.452 183 2HB GLN 42 HB1 GLN 42 -2.688 -5.687 14.960 184 1HG GLN 42 HG2 GLN 42 -2.846 -3.842 16.204 185 2HG GLN 42 HG1 GLN 42 -1.652 -2.972 15.242 186 1HE2 GLN 42 HE21 GLN 42 -4.849 -4.369 14.578 187 2HE2 GLN 42 HE22 GLN 42 -5.525 -2.933 13.900 188 H ASN 43 HN ASN 43 -1.979 -6.792 12.866 189 HA ASN 43 HA ASN 43 -0.140 -9.006 13.434 190 1HB ASN 43 HB2 ASN 43 -2.311 -10.479 13.503 191 2HB ASN 43 HB1 ASN 43 -1.772 -9.636 14.950 192 1HD2 ASN 43 HD21 ASN 43 -4.021 -9.949 15.582 193 2HD2 ASN 43 HD22 ASN 43 -5.195 -8.786 15.080 194 H THR 44 HN THR 44 -3.103 -9.820 11.866 195 HA THR 44 HA THR 44 -1.683 -10.223 9.376 196 HB THR 44 HB THR 44 -3.876 -11.178 8.613 197 HG1 THR 44 HG1 THR 44 -5.540 -10.579 9.720 198 1HG2 THR 44 HG21 THR 44 -2.729 -12.960 9.360 199 2HG2 THR 44 HG22 THR 44 -3.952 -12.930 10.629 200 3HG2 THR 44 HG23 THR 44 -2.367 -12.214 10.917 201 H LEU 45 HN LEU 45 -2.346 -9.250 7.341 202 HA LEU 45 HA LEU 45 -3.631 -6.635 7.813 203 1HB LEU 45 HB2 LEU 45 -1.291 -7.450 6.357 204 2HB LEU 45 HB1 LEU 45 -2.418 -6.664 5.271 205 1HD1 LEU 45 HD11 LEU 45 -0.084 -5.896 8.173 206 2HD1 LEU 45 HD12 LEU 45 0.221 -4.437 7.230 207 3HD1 LEU 45 HD13 LEU 45 0.375 -6.023 6.475 208 1HD2 LEU 45 HD21 LEU 45 -1.051 -3.631 5.734 209 2HD2 LEU 45 HD22 LEU 45 -2.792 -3.788 5.968 210 3HD2 LEU 45 HD23 LEU 45 -1.970 -4.789 4.771 211 H LYS 46 HN LYS 46 -5.582 -6.286 7.003 212 HA LYS 46 HA LYS 46 -6.528 -8.061 4.846 213 1HB LYS 46 HB2 LYS 46 -7.836 -6.869 7.225 214 2HB LYS 46 HB1 LYS 46 -8.794 -6.883 5.753 215 1HG LYS 46 HG2 LYS 46 -9.080 -9.111 5.799 216 2HG LYS 46 HG1 LYS 46 -7.452 -9.416 6.409 217 1HD LYS 46 HD2 LYS 46 -8.451 -9.889 8.356 218 2HD LYS 46 HD1 LYS 46 -8.665 -8.146 8.522 219 1HE LYS 46 HE2 LYS 46 -10.800 -8.732 6.995 220 2HE LYS 46 HE1 LYS 46 -10.631 -10.251 7.873 221 1HZ LYS 46 HZ1 LYS 46 -11.872 -9.169 9.384 222 2HZ LYS 46 HZ2 LYS 46 -11.422 -7.632 8.840 223 3HZ LYS 46 HZ3 LYS 46 -10.392 -8.501 9.861 224 H ILE 47 HN ILE 47 -6.761 -7.142 2.893 225 HA ILE 47 HA ILE 47 -7.125 -4.213 2.809 226 HB ILE 47 HB ILE 47 -4.874 -4.651 2.158 227 1HG1 ILE 47 HG12 ILE 47 -6.312 -3.062 0.765 228 2HG1 ILE 47 HG11 ILE 47 -4.807 -3.610 0.048 229 1HG2 ILE 47 HG21 ILE 47 -4.225 -6.211 0.447 230 2HG2 ILE 47 HG22 ILE 47 -5.911 -6.619 0.129 231 3HG2 ILE 47 HG23 ILE 47 -5.175 -7.050 1.673 232 1HD1 ILE 47 HD11 ILE 47 -6.687 -5.463 -0.803 233 2HD1 ILE 47 HD12 ILE 47 -5.991 -4.148 -1.749 234 3HD1 ILE 47 HD13 ILE 47 -7.512 -3.908 -0.891 235 H MET 48 HN MET 48 -8.821 -3.506 1.636 236 HA MET 48 HA MET 48 -9.987 -5.417 -0.304 237 1HB MET 48 HB2 MET 48 -12.205 -4.672 0.294 238 2HB MET 48 HB1 MET 48 -11.371 -5.185 1.753 239 1HG MET 48 HG2 MET 48 -10.864 -2.807 2.236 240 2HG MET 48 HG1 MET 48 -11.850 -2.360 0.845 241 1HE MET 48 HE1 MET 48 -15.362 -2.902 1.730 242 2HE MET 48 HE2 MET 48 -14.639 -4.454 1.308 243 3HE MET 48 HE3 MET 48 -14.125 -2.987 0.476 244 H THR 49 HN THR 49 -10.057 -4.642 -2.422 245 HA THR 49 HA THR 49 -9.888 -1.701 -2.632 246 HB THR 49 HB THR 49 -8.962 -2.356 -4.985 247 HG1 THR 49 HG1 THR 49 -8.384 -4.702 -3.514 248 1HG2 THR 49 HG21 THR 49 -7.412 -2.755 -2.447 249 2HG2 THR 49 HG22 THR 49 -7.544 -1.285 -3.402 250 3HG2 THR 49 HG23 THR 49 -6.684 -2.681 -4.048 251 H GLU 50 HN GLU 50 -10.644 -3.897 -5.289 252 HA GLU 50 HA GLU 50 -13.393 -2.848 -5.279 253 1HB GLU 50 HB2 GLU 50 -12.184 -1.579 -6.923 254 2HB GLU 50 HB1 GLU 50 -11.525 -3.044 -7.640 255 1HG GLU 50 HG2 GLU 50 -13.281 -3.258 -8.970 256 2HG GLU 50 HG1 GLU 50 -14.396 -3.151 -7.607 257 H LYS 51 HN LYS 51 -11.338 -5.258 -6.992 258 HA LYS 51 HA LYS 51 -13.440 -6.937 -7.728 259 1HB LYS 51 HB2 LYS 51 -10.859 -7.023 -8.268 260 2HB LYS 51 HB1 LYS 51 -10.835 -8.145 -6.915 261 1HG LYS 51 HG2 LYS 51 -11.246 -9.691 -8.473 262 2HG LYS 51 HG1 LYS 51 -12.912 -9.123 -8.352 263 1HD LYS 51 HD2 LYS 51 -12.006 -7.357 -10.133 264 2HD LYS 51 HD1 LYS 51 -10.897 -8.683 -10.482 265 1HE LYS 51 HE2 LYS 51 -12.754 -8.957 -11.927 266 2HE LYS 51 HE1 LYS 51 -12.917 -10.176 -10.664 267 1HZ LYS 51 HZ1 LYS 51 -14.601 -7.903 -11.266 268 2HZ LYS 51 HZ2 LYS 51 -14.293 -8.133 -9.619 269 3HZ LYS 51 HZ3 LYS 51 -14.991 -9.377 -10.530 270 H GLY 52 HN GLY 52 -12.218 -6.284 -4.606 271 1HA GLY 52 HA2 GLY 52 -14.071 -7.350 -3.065 272 2HA GLY 52 HA1 GLY 52 -13.172 -8.797 -3.491 273 H LEU 53 HN LEU 53 -12.887 -8.965 -1.194 274 HA LEU 53 HA LEU 53 -10.645 -7.331 -0.207 275 1HB LEU 53 HB2 LEU 53 -12.434 -6.731 1.171 276 2HB LEU 53 HB1 LEU 53 -13.106 -8.348 1.169 277 HG LEU 53 HG LEU 53 -11.191 -9.087 2.595 278 1HD1 LEU 53 HD11 LEU 53 -10.532 -6.419 3.515 279 2HD1 LEU 53 HD12 LEU 53 -10.070 -6.681 1.836 280 3HD1 LEU 53 HD13 LEU 53 -9.474 -7.764 3.092 281 1HD2 LEU 53 HD21 LEU 53 -13.283 -7.156 3.392 282 2HD2 LEU 53 HD22 LEU 53 -12.014 -7.487 4.573 283 3HD2 LEU 53 HD23 LEU 53 -12.994 -8.809 3.936 284 H LYS 54 HN LYS 54 -8.845 -8.430 0.167 285 HA LYS 54 HA LYS 54 -9.036 -11.317 0.664 286 1HB LYS 54 HB2 LYS 54 -7.466 -9.823 -1.317 287 2HB LYS 54 HB1 LYS 54 -6.532 -11.001 -0.406 288 1HG LYS 54 HG2 LYS 54 -9.011 -11.543 -2.024 289 2HG LYS 54 HG1 LYS 54 -7.357 -11.995 -2.440 290 1HD LYS 54 HD2 LYS 54 -7.872 -13.005 0.150 291 2HD LYS 54 HD1 LYS 54 -9.265 -13.413 -0.852 292 1HE LYS 54 HE2 LYS 54 -7.696 -14.342 -2.545 293 2HE LYS 54 HE1 LYS 54 -6.371 -14.047 -1.420 294 1HZ LYS 54 HZ1 LYS 54 -7.152 -15.653 0.041 295 2HZ LYS 54 HZ2 LYS 54 -7.407 -16.362 -1.473 296 3HZ LYS 54 HZ3 LYS 54 -8.704 -15.676 -0.630 297 H VAL 55 HN VAL 55 -7.379 -12.238 1.993 298 HA VAL 55 HA VAL 55 -6.159 -10.274 3.819 299 HB VAL 55 HB VAL 55 -6.244 -11.988 5.566 300 1HG1 VAL 55 HG11 VAL 55 -8.274 -11.282 6.167 301 2HG1 VAL 55 HG12 VAL 55 -9.048 -12.084 4.801 302 3HG1 VAL 55 HG13 VAL 55 -8.343 -10.480 4.596 303 1HG2 VAL 55 HG21 VAL 55 -7.672 -14.016 5.154 304 2HG2 VAL 55 HG22 VAL 55 -6.119 -14.012 4.316 305 3HG2 VAL 55 HG23 VAL 55 -7.598 -13.632 3.433 306 H VAL 56 HN VAL 56 -4.034 -10.246 3.991 307 HA VAL 56 HA VAL 56 -2.467 -12.633 3.388 308 HB VAL 56 HB VAL 56 -1.360 -10.138 2.241 309 1HG1 VAL 56 HG11 VAL 56 -1.328 -12.413 0.510 310 2HG1 VAL 56 HG12 VAL 56 -0.855 -12.907 2.136 311 3HG1 VAL 56 HG13 VAL 56 0.018 -11.609 1.320 312 1HG2 VAL 56 HG21 VAL 56 -3.703 -10.009 1.509 313 2HG2 VAL 56 HG22 VAL 56 -3.575 -11.635 0.838 314 3HG2 VAL 56 HG23 VAL 56 -2.608 -10.324 0.163 315 H ALA 57 HN ALA 57 -0.040 -12.063 3.749 316 HA ALA 57 HA ALA 57 0.155 -10.518 6.249 317 1HB ALA 57 HB1 ALA 57 0.629 -13.163 5.999 318 2HB ALA 57 HB2 ALA 57 1.429 -12.132 7.185 319 3HB ALA 57 HB3 ALA 57 2.238 -12.523 5.667 320 H LYS 58 HN LYS 58 2.595 -9.902 6.630 321 HA LYS 58 HA LYS 58 3.283 -8.083 4.566 322 1HB LYS 58 HB2 LYS 58 4.951 -8.948 6.933 323 2HB LYS 58 HB1 LYS 58 5.184 -7.496 5.969 324 1HG LYS 58 HG2 LYS 58 2.552 -7.901 7.285 325 2HG LYS 58 HG1 LYS 58 3.931 -7.434 8.282 326 1HD LYS 58 HD2 LYS 58 4.128 -5.734 6.129 327 2HD LYS 58 HD1 LYS 58 2.384 -5.865 6.366 328 1HE LYS 58 HE2 LYS 58 2.613 -4.321 7.957 329 2HE LYS 58 HE1 LYS 58 3.374 -5.578 8.931 330 1HZ LYS 58 HZ1 LYS 58 5.042 -4.104 7.027 331 2HZ LYS 58 HZ2 LYS 58 5.447 -4.763 8.532 332 3HZ LYS 58 HZ3 LYS 58 4.575 -3.316 8.451 333 H ARG 59 HN ARG 59 3.341 -9.912 2.916 334 HA ARG 59 HA ARG 59 5.855 -10.215 1.860 335 1HB ARG 59 HB2 ARG 59 5.239 -12.231 3.905 336 2HB ARG 59 HB1 ARG 59 5.766 -12.908 2.369 337 1HG ARG 59 HG2 ARG 59 7.873 -12.191 2.627 338 2HG ARG 59 HG1 ARG 59 7.369 -10.657 3.337 339 1HD ARG 59 HD2 ARG 59 6.668 -12.428 5.287 340 2HD ARG 59 HD1 ARG 59 8.120 -13.182 4.628 341 HE ARG 59 HE ARG 59 8.031 -10.920 6.300 342 1HH1 ARG 59 HH11 ARG 59 9.681 -12.114 3.464 343 2HH1 ARG 59 HH12 ARG 59 11.109 -11.175 3.748 344 1HH2 ARG 59 HH21 ARG 59 9.907 -9.687 6.673 345 2HH2 ARG 59 HH22 ARG 59 11.238 -9.798 5.569 346 H GLY 60 HN GLY 60 4.135 -9.595 0.285 347 1HA GLY 60 HA2 GLY 60 3.759 -11.393 -1.706 348 2HA GLY 60 HA1 GLY 60 2.379 -11.686 -0.659 349 H ARG 61 HN ARG 61 2.616 -10.572 -3.443 350 HA ARG 61 HA ARG 61 1.614 -8.966 -4.720 351 1HB ARG 61 HB2 ARG 61 0.039 -8.663 -2.168 352 2HB ARG 61 HB1 ARG 61 -0.363 -7.810 -3.651 353 1HG ARG 61 HG2 ARG 61 -1.741 -9.597 -3.860 354 2HG ARG 61 HG1 ARG 61 -0.306 -10.262 -4.641 355 1HD ARG 61 HD2 ARG 61 0.150 -10.864 -2.020 356 2HD ARG 61 HD1 ARG 61 -1.605 -11.002 -2.117 357 HE ARG 61 HE ARG 61 -0.776 -12.409 -4.263 358 1HH1 ARG 61 HH11 ARG 61 0.111 -12.499 -0.888 359 2HH1 ARG 61 HH12 ARG 61 0.492 -14.188 -0.904 360 1HH2 ARG 61 HH21 ARG 61 -0.274 -14.631 -4.286 361 2HH2 ARG 61 HH22 ARG 61 0.277 -15.398 -2.833 362 H THR 62 HN THR 62 0.865 -6.409 -4.495 363 HA THR 62 HA THR 62 3.074 -5.117 -3.006 364 HB THR 62 HB THR 62 2.034 -4.320 -5.733 365 HG1 THR 62 HG1 THR 62 4.465 -5.546 -4.946 366 1HG2 THR 62 HG21 THR 62 2.903 -2.333 -5.250 367 2HG2 THR 62 HG22 THR 62 4.470 -3.129 -5.402 368 3HG2 THR 62 HG23 THR 62 3.726 -2.940 -3.814 369 H PHE 63 HN PHE 63 2.396 -3.634 -1.568 370 HA PHE 63 HA PHE 63 -0.157 -2.268 -2.135 371 1HB PHE 63 HB2 PHE 63 0.471 -2.772 0.724 372 2HB PHE 63 HB1 PHE 63 -1.079 -2.733 -0.103 373 HD1 PHE 63 HD1 PHE 63 0.953 -4.758 1.716 374 HD2 PHE 63 HD2 PHE 63 -1.178 -4.765 -1.963 375 HE1 PHE 63 HE1 PHE 63 0.870 -7.215 1.777 376 HE2 PHE 63 HE2 PHE 63 -1.271 -7.217 -1.906 377 HZ PHE 63 HZ PHE 63 -0.246 -8.450 -0.039 378 H ARG 64 HN ARG 64 -0.320 -0.135 -1.369 379 HA ARG 64 HA ARG 64 2.113 1.063 -0.187 380 1HB ARG 64 HB2 ARG 64 1.073 1.603 -2.741 381 2HB ARG 64 HB1 ARG 64 0.542 2.951 -1.745 382 1HG ARG 64 HG2 ARG 64 3.401 2.038 -1.799 383 2HG ARG 64 HG1 ARG 64 2.756 3.201 -2.961 384 1HD ARG 64 HD2 ARG 64 1.986 3.945 -0.297 385 2HD ARG 64 HD1 ARG 64 3.730 3.706 -0.372 386 HE ARG 64 HE ARG 64 2.197 5.784 -1.659 387 1HH1 ARG 64 HH11 ARG 64 5.212 4.024 -1.615 388 2HH1 ARG 64 HH12 ARG 64 6.098 5.278 -2.415 389 1HH2 ARG 64 HH21 ARG 64 3.361 7.432 -2.712 390 2HH2 ARG 64 HH22 ARG 64 5.047 7.212 -3.039 391 H VAL 65 HN VAL 65 1.647 2.036 1.768 392 HA VAL 65 HA VAL 65 -1.198 2.620 2.251 393 HB VAL 65 HB VAL 65 0.822 1.768 4.312 394 1HG1 VAL 65 HG11 VAL 65 -1.927 1.302 5.002 395 2HG1 VAL 65 HG12 VAL 65 -1.681 3.001 4.605 396 3HG1 VAL 65 HG13 VAL 65 -0.701 2.240 5.855 397 1HG2 VAL 65 HG21 VAL 65 -0.907 -0.285 4.174 398 2HG2 VAL 65 HG22 VAL 65 0.601 -0.216 3.261 399 3HG2 VAL 65 HG23 VAL 65 -0.920 0.238 2.490 400 H TRP 66 HN TRP 66 -1.887 4.388 3.210 401 HA TRP 66 HA TRP 66 0.035 6.423 4.108 402 1HB TRP 66 HB2 TRP 66 -2.640 7.045 2.856 403 2HB TRP 66 HB1 TRP 66 -1.330 8.162 3.213 404 HD1 TRP 66 HD1 TRP 66 0.995 7.661 1.629 405 HE1 TRP 66 HE1 TRP 66 1.042 7.187 -0.902 406 HE3 TRP 66 HE3 TRP 66 -3.822 6.093 1.008 407 HZ2 TRP 66 HZ2 TRP 66 -0.743 6.271 -2.896 408 HZ3 TRP 66 HZ3 TRP 66 -4.585 5.434 -1.220 409 HH2 TRP 66 HH2 TRP 66 -3.072 5.529 -3.142 410 H TYR 67 HN TYR 67 -0.242 6.986 6.141 411 HA TYR 67 HA TYR 67 -2.864 6.605 7.426 412 1HB TYR 67 HB2 TYR 67 -0.613 5.173 8.035 413 2HB TYR 67 HB1 TYR 67 -0.479 6.511 9.165 414 HD1 TYR 67 HD1 TYR 67 -0.651 3.905 10.276 415 HD2 TYR 67 HD2 TYR 67 -3.839 6.397 8.950 416 HE1 TYR 67 HE1 TYR 67 -2.188 2.754 11.811 417 HE2 TYR 67 HE2 TYR 67 -5.378 5.251 10.481 418 HH TYR 67 HH TYR 67 -4.931 3.862 12.844 419 H LYS 68 HN LYS 68 -2.832 7.931 9.622 420 HA LYS 68 HA LYS 68 -2.391 10.668 8.859 421 1HB LYS 68 HB2 LYS 68 -3.917 9.238 10.883 422 2HB LYS 68 HB1 LYS 68 -3.137 10.673 11.533 423 1HG LYS 68 HG2 LYS 68 -4.358 12.102 10.220 424 2HG LYS 68 HG1 LYS 68 -4.643 10.886 8.974 425 1HD LYS 68 HD2 LYS 68 -6.718 10.950 9.933 426 2HD LYS 68 HD1 LYS 68 -5.968 9.703 10.933 427 1HE LYS 68 HE2 LYS 68 -5.531 12.438 11.886 428 2HE LYS 68 HE1 LYS 68 -7.221 11.937 11.878 429 1HZ LYS 68 HZ1 LYS 68 -5.014 10.990 13.511 430 2HZ LYS 68 HZ2 LYS 68 -6.086 9.800 12.968 431 3HZ LYS 68 HZ3 LYS 68 -6.661 11.105 13.877 432 H GLY 69 HN GLY 69 -0.218 8.509 9.820 433 1HA GLY 69 HA2 GLY 69 1.202 10.416 11.570 434 2HA GLY 69 HA1 GLY 69 1.382 8.673 11.683 435 H LYS 70 HN LYS 70 1.473 8.287 8.787 436 HA LYS 70 HA LYS 70 3.461 9.792 7.535 437 1HB LYS 70 HB2 LYS 70 4.598 8.458 9.614 438 2HB LYS 70 HB1 LYS 70 4.797 7.278 8.329 439 1HG LYS 70 HG2 LYS 70 6.732 8.810 8.657 440 2HG LYS 70 HG1 LYS 70 6.079 8.800 7.021 441 1HD LYS 70 HD2 LYS 70 4.870 10.807 8.777 442 2HD LYS 70 HD1 LYS 70 6.598 11.038 8.505 443 1HE LYS 70 HE2 LYS 70 4.761 10.496 6.205 444 2HE LYS 70 HE1 LYS 70 4.884 12.120 6.879 445 1HZ LYS 70 HZ1 LYS 70 7.455 11.510 6.601 446 2HZ LYS 70 HZ2 LYS 70 6.550 12.277 5.395 447 3HZ LYS 70 HZ3 LYS 70 6.813 10.608 5.321 448 H ILE 71 HN ILE 71 4.741 8.128 5.903 449 HA ILE 71 HA ILE 71 2.660 6.361 4.793 450 HB ILE 71 HB ILE 71 4.597 8.021 3.180 451 1HG1 ILE 71 HG12 ILE 71 1.646 8.436 3.712 452 2HG1 ILE 71 HG11 ILE 71 2.958 9.456 4.296 453 1HG2 ILE 71 HG21 ILE 71 2.256 6.300 2.373 454 2HG2 ILE 71 HG22 ILE 71 3.962 5.978 2.060 455 3HG2 ILE 71 HG23 ILE 71 3.166 7.348 1.284 456 1HD1 ILE 71 HD11 ILE 71 3.409 10.283 2.149 457 2HD1 ILE 71 HD12 ILE 71 1.653 10.285 2.294 458 3HD1 ILE 71 HD13 ILE 71 2.460 9.016 1.371 459 H MET 72 HN MET 72 3.275 4.362 4.167 460 HA MET 72 HA MET 72 6.149 3.767 3.996 461 1HB MET 72 HB2 MET 72 4.111 2.224 5.608 462 2HB MET 72 HB1 MET 72 5.722 1.627 5.232 463 1HG MET 72 HG2 MET 72 5.149 4.155 6.759 464 2HG MET 72 HG1 MET 72 5.518 2.597 7.494 465 1HE MET 72 HE1 MET 72 7.042 3.747 8.833 466 2HE MET 72 HE2 MET 72 8.616 4.407 8.392 467 3HE MET 72 HE3 MET 72 8.385 2.661 8.477 468 H ARG 73 HN ARG 73 6.644 1.801 2.808 469 HA ARG 73 HA ARG 73 4.456 0.934 1.033 470 1HB ARG 73 HB2 ARG 73 6.098 0.806 -0.814 471 2HB ARG 73 HB1 ARG 73 5.869 2.446 -0.222 472 1HG ARG 73 HG2 ARG 73 7.970 2.562 0.686 473 2HG ARG 73 HG1 ARG 73 8.095 0.814 0.894 474 1HD ARG 73 HD2 ARG 73 7.889 1.028 -1.811 475 2HD ARG 73 HD1 ARG 73 8.775 2.498 -1.410 476 HE ARG 73 HE ARG 73 9.727 -0.214 -1.231 477 1HH1 ARG 73 HH11 ARG 73 10.156 3.061 -0.102 478 2HH1 ARG 73 HH12 ARG 73 11.816 2.829 0.327 479 1HH2 ARG 73 HH21 ARG 73 11.913 -0.521 -0.667 480 2HH2 ARG 73 HH22 ARG 73 12.815 0.796 0.005 481 H ILE 74 HN ILE 74 4.255 -1.227 0.725 482 HA ILE 74 HA ILE 74 6.424 -2.936 1.767 483 HB ILE 74 HB ILE 74 4.511 -2.936 3.307 484 1HG1 ILE 74 HG12 ILE 74 4.050 -5.472 3.163 485 2HG1 ILE 74 HG11 ILE 74 5.131 -5.451 1.774 486 1HG2 ILE 74 HG21 ILE 74 2.908 -4.171 1.082 487 2HG2 ILE 74 HG22 ILE 74 2.811 -2.468 1.529 488 3HG2 ILE 74 HG23 ILE 74 2.352 -3.712 2.691 489 1HD1 ILE 74 HD11 ILE 74 5.726 -5.302 4.622 490 2HD1 ILE 74 HD12 ILE 74 6.594 -4.118 3.645 491 3HD1 ILE 74 HD13 ILE 74 6.730 -5.837 3.276 492 H LYS 75 HN LYS 75 7.232 -4.318 0.341 493 HA LYS 75 HA LYS 75 5.546 -5.164 -1.921 494 1HB LYS 75 HB2 LYS 75 7.588 -5.168 -3.329 495 2HB LYS 75 HB1 LYS 75 7.149 -3.563 -2.761 496 1HG LYS 75 HG2 LYS 75 9.359 -3.469 -2.322 497 2HG LYS 75 HG1 LYS 75 8.843 -4.232 -0.816 498 1HD LYS 75 HD2 LYS 75 9.182 -6.432 -2.269 499 2HD LYS 75 HD1 LYS 75 10.305 -5.381 -3.132 500 1HE LYS 75 HE2 LYS 75 10.499 -5.286 -0.199 501 2HE LYS 75 HE1 LYS 75 10.941 -6.828 -0.930 502 1HZ LYS 75 HZ1 LYS 75 12.054 -4.240 -1.847 503 2HZ LYS 75 HZ2 LYS 75 12.604 -5.795 -2.219 504 3HZ LYS 75 HZ3 LYS 75 12.792 -5.184 -0.653 505 H GLY 76 HN GLY 76 5.400 -7.303 -2.226 506 1HA GLY 76 HA2 GLY 76 7.352 -9.012 -0.800 507 2HA GLY 76 HA1 GLY 76 5.647 -9.408 -0.942 508 H ASP 77 HN ASP 77 7.716 -11.143 -1.718 509 HA ASP 77 HA ASP 77 6.843 -11.894 -4.280 510 1HB ASP 77 HB2 ASP 77 8.699 -9.839 -4.421 511 2HB ASP 77 HB1 ASP 77 9.670 -11.284 -4.687 Start of MODEL 10 1 1H GLY 17 HN GLY 17 -9.887 5.099 8.523 2 1HA GLY 17 HA2 GLY 17 -7.820 6.567 9.859 3 2HA GLY 17 HA1 GLY 17 -7.991 4.819 9.810 4 H LEU 18 HN LEU 18 -7.085 3.656 8.048 5 HA LEU 18 HA LEU 18 -4.800 5.045 6.861 6 1HB LEU 18 HB2 LEU 18 -5.435 2.100 7.067 7 2HB LEU 18 HB1 LEU 18 -4.004 2.763 6.304 8 HG LEU 18 HG LEU 18 -3.671 1.858 8.622 9 1HD1 LEU 18 HD11 LEU 18 -2.938 4.614 7.768 10 2HD1 LEU 18 HD12 LEU 18 -1.926 3.180 7.956 11 3HD1 LEU 18 HD13 LEU 18 -2.484 4.059 9.379 12 1HD2 LEU 18 HD21 LEU 18 -5.016 4.377 9.551 13 2HD2 LEU 18 HD22 LEU 18 -4.458 3.008 10.513 14 3HD2 LEU 18 HD23 LEU 18 -5.863 2.832 9.460 15 H MET 19 HN MET 19 -5.061 5.881 4.911 16 HA MET 19 HA MET 19 -6.934 4.551 3.031 17 1HB MET 19 HB2 MET 19 -7.221 7.029 3.662 18 2HB MET 19 HB1 MET 19 -5.766 7.317 2.719 19 1HG MET 19 HG2 MET 19 -6.987 6.133 0.813 20 2HG MET 19 HG1 MET 19 -8.442 6.350 1.783 21 1HE MET 19 HE1 MET 19 -8.485 7.915 -1.214 22 2HE MET 19 HE2 MET 19 -6.839 7.314 -1.009 23 3HE MET 19 HE3 MET 19 -7.122 9.031 -1.300 24 H VAL 20 HN VAL 20 -6.043 3.506 1.291 25 HA VAL 20 HA VAL 20 -3.331 4.264 0.517 26 HB VAL 20 HB VAL 20 -2.459 2.128 0.786 27 1HG1 VAL 20 HG11 VAL 20 -2.573 1.730 3.068 28 2HG1 VAL 20 HG12 VAL 20 -4.281 2.159 3.147 29 3HG1 VAL 20 HG13 VAL 20 -3.066 3.416 2.926 30 1HG2 VAL 20 HG21 VAL 20 -5.141 0.956 1.435 31 2HG2 VAL 20 HG22 VAL 20 -3.638 0.109 1.074 32 3HG2 VAL 20 HG23 VAL 20 -4.487 0.971 -0.202 33 H GLU 21 HN GLU 21 -2.609 2.827 -1.365 34 HA GLU 21 HA GLU 21 -4.857 2.308 -3.214 35 1HB GLU 21 HB2 GLU 21 -3.816 4.127 -4.284 36 2HB GLU 21 HB1 GLU 21 -2.214 3.664 -3.725 37 1HG GLU 21 HG2 GLU 21 -1.925 2.129 -5.407 38 2HG GLU 21 HG1 GLU 21 -3.655 1.882 -5.627 39 H VAL 22 HN VAL 22 -4.921 0.115 -3.640 40 HA VAL 22 HA VAL 22 -2.360 -1.308 -3.228 41 HB VAL 22 HB VAL 22 -5.077 -2.276 -2.389 42 1HG1 VAL 22 HG11 VAL 22 -2.394 -3.506 -2.504 43 2HG1 VAL 22 HG12 VAL 22 -3.991 -4.255 -2.547 44 3HG1 VAL 22 HG13 VAL 22 -3.288 -3.762 -1.005 45 1HG2 VAL 22 HG21 VAL 22 -3.240 -0.462 -1.130 46 2HG2 VAL 22 HG22 VAL 22 -3.378 -1.936 -0.173 47 3HG2 VAL 22 HG23 VAL 22 -4.822 -1.008 -0.580 48 H VAL 23 HN VAL 23 -1.821 -2.995 -4.387 49 HA VAL 23 HA VAL 23 -3.739 -4.008 -6.372 50 HB VAL 23 HB VAL 23 -1.701 -4.511 -7.817 51 1HG1 VAL 23 HG11 VAL 23 -1.837 -1.572 -7.692 52 2HG1 VAL 23 HG12 VAL 23 -3.387 -2.402 -7.823 53 3HG1 VAL 23 HG13 VAL 23 -2.138 -2.669 -9.040 54 1HG2 VAL 23 HG21 VAL 23 -0.451 -2.572 -5.877 55 2HG2 VAL 23 HG22 VAL 23 0.229 -2.947 -7.461 56 3HG2 VAL 23 HG23 VAL 23 0.070 -4.216 -6.247 57 H GLU 24 HN GLU 24 -4.157 -6.017 -5.887 58 HA GLU 24 HA GLU 24 -2.081 -7.854 -5.031 59 1HB GLU 24 HB2 GLU 24 -3.794 -8.733 -3.288 60 2HB GLU 24 HB1 GLU 24 -2.817 -7.327 -2.892 61 1HG GLU 24 HG2 GLU 24 -4.784 -5.939 -3.735 62 2HG GLU 24 HG1 GLU 24 -5.712 -7.437 -3.657 63 H SER 25 HN SER 25 -3.142 -10.111 -4.736 64 HA SER 25 HA SER 25 -4.008 -11.916 -5.796 65 1HB SER 25 HB2 SER 25 -6.370 -11.791 -6.402 66 2HB SER 25 HB1 SER 25 -6.086 -10.952 -4.879 67 HG SER 25 HG SER 25 -6.547 -9.086 -5.801 68 HA PRO 26 HA PRO 26 -2.603 -10.912 -10.005 69 1HB PRO 26 HB2 PRO 26 -1.685 -13.401 -10.562 70 2HB PRO 26 HB1 PRO 26 -0.753 -12.232 -9.619 71 1HG PRO 26 HG2 PRO 26 -2.434 -14.521 -8.671 72 2HG PRO 26 HG1 PRO 26 -0.833 -14.004 -8.112 73 1HD PRO 26 HD2 PRO 26 -3.115 -13.396 -6.782 74 2HD PRO 26 HD1 PRO 26 -1.697 -12.327 -6.789 75 H ASN 27 HN ASN 27 -5.076 -12.765 -8.761 76 HA ASN 27 HA ASN 27 -6.119 -14.492 -10.483 77 1HB ASN 27 HB2 ASN 27 -7.222 -12.471 -8.677 78 2HB ASN 27 HB1 ASN 27 -8.333 -12.914 -9.972 79 1HD2 ASN 27 HD21 ASN 27 -7.377 -13.645 -6.922 80 2HD2 ASN 27 HD22 ASN 27 -7.929 -15.279 -6.826 81 H HIS 28 HN HIS 28 -7.585 -14.446 -12.284 82 HA HIS 28 HA HIS 28 -6.789 -13.012 -14.486 83 1HB HIS 28 HB2 HIS 28 -9.039 -13.550 -15.455 84 2HB HIS 28 HB1 HIS 28 -8.218 -14.934 -14.741 85 HD1 HIS 28 HD1 HIS 28 -9.127 -15.713 -12.358 86 HD2 HIS 28 HD2 HIS 28 -11.506 -12.987 -14.400 87 HE1 HIS 28 HE1 HIS 28 -11.374 -15.803 -11.229 88 HE2 HIS 28 HE2 HIS 28 -12.768 -14.080 -12.425 89 H SER 29 HN SER 29 -9.096 -12.140 -12.017 90 HA SER 29 HA SER 29 -9.419 -9.490 -13.260 91 1HB SER 29 HB2 SER 29 -11.445 -9.452 -11.565 92 2HB SER 29 HB1 SER 29 -11.604 -10.267 -13.120 93 HG SER 29 HG SER 29 -12.204 -11.853 -11.847 94 H GLU 30 HN GLU 30 -7.207 -9.330 -12.187 95 HA GLU 30 HA GLU 30 -6.525 -9.366 -9.605 96 1HB GLU 30 HB2 GLU 30 -5.075 -8.542 -11.414 97 2HB GLU 30 HB1 GLU 30 -5.981 -7.036 -11.448 98 1HG GLU 30 HG2 GLU 30 -5.175 -6.371 -9.354 99 2HG GLU 30 HG1 GLU 30 -4.601 -7.993 -8.968 100 H VAL 31 HN VAL 31 -6.640 -8.086 -7.768 101 HA VAL 31 HA VAL 31 -8.959 -6.242 -7.675 102 HB VAL 31 HB VAL 31 -7.528 -7.388 -5.304 103 1HG1 VAL 31 HG11 VAL 31 -8.888 -5.849 -4.395 104 2HG1 VAL 31 HG12 VAL 31 -10.078 -7.139 -4.538 105 3HG1 VAL 31 HG13 VAL 31 -10.005 -5.871 -5.760 106 1HG2 VAL 31 HG21 VAL 31 -10.023 -8.742 -5.898 107 2HG2 VAL 31 HG22 VAL 31 -8.449 -9.415 -5.483 108 3HG2 VAL 31 HG23 VAL 31 -8.813 -8.993 -7.156 109 H GLY 32 HN GLY 32 -7.750 -4.435 -8.445 110 1HA GLY 32 HA2 GLY 32 -5.927 -3.366 -6.447 111 2HA GLY 32 HA1 GLY 32 -5.432 -3.341 -8.141 112 H ILE 33 HN ILE 33 -6.891 -1.635 -5.774 113 HA ILE 33 HA ILE 33 -7.570 0.391 -7.586 114 HB ILE 33 HB ILE 33 -9.782 0.601 -7.483 115 1HG1 ILE 33 HG12 ILE 33 -10.701 -1.292 -5.545 116 2HG1 ILE 33 HG11 ILE 33 -9.614 -0.132 -4.815 117 1HG2 ILE 33 HG21 ILE 33 -9.679 -2.376 -7.285 118 2HG2 ILE 33 HG22 ILE 33 -9.222 -1.449 -8.714 119 3HG2 ILE 33 HG23 ILE 33 -10.873 -1.391 -8.126 120 1HD1 ILE 33 HD11 ILE 33 -12.032 0.473 -4.731 121 2HD1 ILE 33 HD12 ILE 33 -11.990 0.632 -6.487 122 3HD1 ILE 33 HD13 ILE 33 -10.993 1.684 -5.481 123 H LYS 34 HN LYS 34 -9.024 1.963 -6.200 124 HA LYS 34 HA LYS 34 -7.222 2.811 -4.104 125 1HB LYS 34 HB2 LYS 34 -9.911 3.838 -5.060 126 2HB LYS 34 HB1 LYS 34 -9.107 4.514 -3.649 127 1HG LYS 34 HG2 LYS 34 -7.213 5.172 -5.017 128 2HG LYS 34 HG1 LYS 34 -7.972 4.450 -6.439 129 1HD LYS 34 HD2 LYS 34 -9.693 6.057 -6.464 130 2HD LYS 34 HD1 LYS 34 -9.319 6.600 -4.827 131 1HE LYS 34 HE2 LYS 34 -7.097 7.377 -5.701 132 2HE LYS 34 HE1 LYS 34 -7.687 7.025 -7.324 133 1HZ LYS 34 HZ1 LYS 34 -9.123 8.837 -5.475 134 2HZ LYS 34 HZ2 LYS 34 -9.331 8.674 -7.145 135 3HZ LYS 34 HZ3 LYS 34 -7.925 9.389 -6.535 136 H GLY 35 HN GLY 35 -7.322 1.934 -2.096 137 1HA GLY 35 HA2 GLY 35 -9.886 0.873 -1.146 138 2HA GLY 35 HA1 GLY 35 -8.500 -0.194 -1.233 139 H GLU 36 HN GLU 36 -9.566 -0.209 1.043 140 HA GLU 36 HA GLU 36 -8.118 1.746 2.742 141 1HB GLU 36 HB2 GLU 36 -10.452 0.017 3.565 142 2HB GLU 36 HB1 GLU 36 -9.754 1.362 4.456 143 1HG GLU 36 HG2 GLU 36 -11.622 2.335 3.567 144 2HG GLU 36 HG1 GLU 36 -10.417 2.739 2.346 145 H VAL 37 HN VAL 37 -6.964 1.021 4.584 146 HA VAL 37 HA VAL 37 -6.393 -1.885 4.563 147 HB VAL 37 HB VAL 37 -4.097 -1.411 5.267 148 1HG1 VAL 37 HG11 VAL 37 -5.206 -0.633 2.662 149 2HG1 VAL 37 HG12 VAL 37 -3.926 -1.779 3.064 150 3HG1 VAL 37 HG13 VAL 37 -3.571 -0.056 2.993 151 1HG2 VAL 37 HG21 VAL 37 -3.336 1.015 4.766 152 2HG2 VAL 37 HG22 VAL 37 -4.086 0.640 6.317 153 3HG2 VAL 37 HG23 VAL 37 -5.030 1.414 5.045 154 H VAL 38 HN VAL 38 -6.740 -2.927 6.318 155 HA VAL 38 HA VAL 38 -6.620 -1.528 8.896 156 HB VAL 38 HB VAL 38 -8.487 -3.023 9.682 157 1HG1 VAL 38 HG11 VAL 38 -10.228 -1.671 8.194 158 2HG1 VAL 38 HG12 VAL 38 -8.769 -0.780 7.766 159 3HG1 VAL 38 HG13 VAL 38 -9.265 -0.900 9.453 160 1HG2 VAL 38 HG21 VAL 38 -10.002 -3.635 7.593 161 2HG2 VAL 38 HG22 VAL 38 -8.789 -4.748 8.226 162 3HG2 VAL 38 HG23 VAL 38 -8.428 -3.765 6.808 163 H ASP 39 HN ASP 39 -5.615 -2.616 10.504 164 HA ASP 39 HA ASP 39 -4.175 -5.022 9.775 165 1HB ASP 39 HB2 ASP 39 -4.054 -3.224 12.201 166 2HB ASP 39 HB1 ASP 39 -3.079 -4.680 12.026 167 H GLU 40 HN GLU 40 -4.969 -6.975 10.158 168 HA GLU 40 HA GLU 40 -7.318 -7.505 11.560 169 1HB GLU 40 HB2 GLU 40 -5.756 -8.942 9.894 170 2HB GLU 40 HB1 GLU 40 -5.320 -9.689 11.424 171 1HG GLU 40 HG2 GLU 40 -7.676 -10.164 11.864 172 2HG GLU 40 HG1 GLU 40 -8.109 -9.420 10.325 173 H THR 41 HN THR 41 -7.459 -6.816 13.629 174 HA THR 41 HA THR 41 -7.007 -6.553 15.853 175 HB THR 41 HB THR 41 -7.879 -8.863 15.719 176 HG1 THR 41 HG1 THR 41 -5.822 -8.628 17.651 177 1HG2 THR 41 HG21 THR 41 -4.987 -9.560 15.419 178 2HG2 THR 41 HG22 THR 41 -6.376 -10.133 14.495 179 3HG2 THR 41 HG23 THR 41 -6.132 -10.682 16.153 180 H GLN 42 HN GLN 42 -4.846 -5.709 14.249 181 HA GLN 42 HA GLN 42 -2.662 -5.092 14.400 182 1HB GLN 42 HB2 GLN 42 -3.369 -4.365 16.647 183 2HB GLN 42 HB1 GLN 42 -2.976 -5.957 17.280 184 1HG GLN 42 HG2 GLN 42 -1.137 -4.675 17.853 185 2HG GLN 42 HG1 GLN 42 -0.614 -5.507 16.390 186 1HE2 GLN 42 HE21 GLN 42 -2.338 -2.533 17.279 187 2HE2 GLN 42 HE22 GLN 42 -1.494 -1.510 16.172 188 H ASN 43 HN ASN 43 -2.469 -7.109 13.017 189 HA ASN 43 HA ASN 43 -0.186 -8.578 13.888 190 1HB ASN 43 HB2 ASN 43 -2.832 -9.771 14.264 191 2HB ASN 43 HB1 ASN 43 -1.757 -10.776 13.296 192 1HD2 ASN 43 HD21 ASN 43 -2.818 -10.378 16.290 193 2HD2 ASN 43 HD22 ASN 43 -1.438 -10.887 17.197 194 H THR 44 HN THR 44 -2.802 -9.677 11.765 195 HA THR 44 HA THR 44 -0.933 -9.788 9.542 196 HB THR 44 HB THR 44 -3.814 -10.446 9.181 197 HG1 THR 44 HG1 THR 44 -3.840 -11.978 10.603 198 1HG2 THR 44 HG21 THR 44 -2.132 -12.573 8.460 199 2HG2 THR 44 HG22 THR 44 -1.350 -11.094 7.903 200 3HG2 THR 44 HG23 THR 44 -3.000 -11.462 7.400 201 H LEU 45 HN LEU 45 -1.650 -8.930 7.382 202 HA LEU 45 HA LEU 45 -2.994 -6.334 7.790 203 1HB LEU 45 HB2 LEU 45 -1.069 -7.065 5.588 204 2HB LEU 45 HB1 LEU 45 -1.708 -5.471 5.946 205 1HD1 LEU 45 HD11 LEU 45 1.218 -5.241 5.918 206 2HD1 LEU 45 HD12 LEU 45 1.080 -6.995 5.787 207 3HD1 LEU 45 HD13 LEU 45 1.950 -6.278 7.143 208 1HD2 LEU 45 HD21 LEU 45 -0.931 -4.906 8.872 209 2HD2 LEU 45 HD22 LEU 45 -0.826 -4.081 7.315 210 3HD2 LEU 45 HD23 LEU 45 0.638 -4.396 8.247 211 H LYS 46 HN LYS 46 -4.898 -6.042 6.843 212 HA LYS 46 HA LYS 46 -5.558 -7.725 4.511 213 1HB LYS 46 HB2 LYS 46 -7.966 -7.453 5.305 214 2HB LYS 46 HB1 LYS 46 -6.940 -8.526 6.247 215 1HG LYS 46 HG2 LYS 46 -6.632 -6.822 7.927 216 2HG LYS 46 HG1 LYS 46 -7.556 -5.670 6.961 217 1HD LYS 46 HD2 LYS 46 -8.633 -8.259 8.073 218 2HD LYS 46 HD1 LYS 46 -8.882 -6.667 8.791 219 1HE LYS 46 HE2 LYS 46 -10.681 -6.437 7.508 220 2HE LYS 46 HE1 LYS 46 -9.616 -6.408 6.102 221 1HZ LYS 46 HZ1 LYS 46 -10.277 -9.035 7.158 222 2HZ LYS 46 HZ2 LYS 46 -10.134 -8.517 5.555 223 3HZ LYS 46 HZ3 LYS 46 -11.547 -8.191 6.425 224 H ILE 47 HN ILE 47 -5.970 -6.624 2.706 225 HA ILE 47 HA ILE 47 -6.855 -3.815 2.976 226 HB ILE 47 HB ILE 47 -5.078 -4.716 0.732 227 1HG1 ILE 47 HG12 ILE 47 -3.282 -3.451 2.175 228 2HG1 ILE 47 HG11 ILE 47 -4.317 -3.917 3.520 229 1HG2 ILE 47 HG21 ILE 47 -6.278 -2.222 1.671 230 2HG2 ILE 47 HG22 ILE 47 -5.721 -2.682 0.063 231 3HG2 ILE 47 HG23 ILE 47 -4.571 -2.093 1.260 232 1HD1 ILE 47 HD11 ILE 47 -3.650 -6.080 1.655 233 2HD1 ILE 47 HD12 ILE 47 -3.690 -6.066 3.419 234 3HD1 ILE 47 HD13 ILE 47 -2.293 -5.413 2.561 235 H MET 48 HN MET 48 -8.483 -3.160 1.620 236 HA MET 48 HA MET 48 -9.357 -5.156 -0.386 237 1HB MET 48 HB2 MET 48 -11.688 -4.530 0.115 238 2HB MET 48 HB1 MET 48 -10.871 -5.209 1.515 239 1HG MET 48 HG2 MET 48 -10.564 -2.359 1.487 240 2HG MET 48 HG1 MET 48 -12.267 -2.791 1.341 241 1HE MET 48 HE1 MET 48 -12.042 -1.218 3.818 242 2HE MET 48 HE2 MET 48 -12.701 -2.316 5.031 243 3HE MET 48 HE3 MET 48 -13.411 -2.257 3.418 244 H THR 49 HN THR 49 -9.629 -4.407 -2.469 245 HA THR 49 HA THR 49 -9.562 -1.480 -2.765 246 HB THR 49 HB THR 49 -8.596 -1.814 -4.921 247 HG1 THR 49 HG1 THR 49 -8.671 -3.643 -5.994 248 1HG2 THR 49 HG21 THR 49 -7.391 -3.447 -2.756 249 2HG2 THR 49 HG22 THR 49 -6.800 -1.974 -3.525 250 3HG2 THR 49 HG23 THR 49 -6.701 -3.516 -4.377 251 H GLU 50 HN GLU 50 -10.599 -3.673 -5.320 252 HA GLU 50 HA GLU 50 -13.360 -2.735 -4.955 253 1HB GLU 50 HB2 GLU 50 -12.256 -1.359 -6.684 254 2HB GLU 50 HB1 GLU 50 -11.904 -2.822 -7.594 255 1HG GLU 50 HG2 GLU 50 -14.636 -2.935 -7.129 256 2HG GLU 50 HG1 GLU 50 -14.315 -1.241 -7.496 257 H LYS 51 HN LYS 51 -11.403 -4.926 -7.055 258 HA LYS 51 HA LYS 51 -13.543 -6.643 -7.622 259 1HB LYS 51 HB2 LYS 51 -11.243 -6.607 -8.713 260 2HB LYS 51 HB1 LYS 51 -10.694 -7.578 -7.356 261 1HG LYS 51 HG2 LYS 51 -13.068 -8.445 -8.941 262 2HG LYS 51 HG1 LYS 51 -11.443 -8.736 -9.553 263 1HD LYS 51 HD2 LYS 51 -11.626 -9.488 -6.778 264 2HD LYS 51 HD1 LYS 51 -12.881 -10.293 -7.720 265 1HE LYS 51 HE2 LYS 51 -11.084 -10.974 -9.338 266 2HE LYS 51 HE1 LYS 51 -9.906 -10.361 -8.180 267 1HZ LYS 51 HZ1 LYS 51 -10.454 -12.827 -8.107 268 2HZ LYS 51 HZ2 LYS 51 -11.926 -12.375 -7.407 269 3HZ LYS 51 HZ3 LYS 51 -10.471 -11.992 -6.634 270 H GLY 52 HN GLY 52 -11.828 -6.191 -4.708 271 1HA GLY 52 HA2 GLY 52 -13.437 -7.536 -3.032 272 2HA GLY 52 HA1 GLY 52 -12.393 -8.813 -3.635 273 H LEU 53 HN LEU 53 -11.832 -9.003 -1.355 274 HA LEU 53 HA LEU 53 -9.661 -7.145 -0.659 275 1HB LEU 53 HB2 LEU 53 -10.280 -7.087 1.593 276 2HB LEU 53 HB1 LEU 53 -11.792 -6.900 0.724 277 HG LEU 53 HG LEU 53 -10.822 -9.503 1.901 278 1HD1 LEU 53 HD11 LEU 53 -11.296 -7.767 3.611 279 2HD1 LEU 53 HD12 LEU 53 -12.385 -9.153 3.687 280 3HD1 LEU 53 HD13 LEU 53 -12.934 -7.638 2.970 281 1HD2 LEU 53 HD21 LEU 53 -12.319 -10.211 0.347 282 2HD2 LEU 53 HD22 LEU 53 -13.182 -8.674 0.314 283 3HD2 LEU 53 HD23 LEU 53 -13.453 -9.808 1.637 284 H LYS 54 HN LYS 54 -7.810 -8.039 0.070 285 HA LYS 54 HA LYS 54 -7.743 -10.953 0.367 286 1HB LYS 54 HB2 LYS 54 -5.638 -9.226 -0.942 287 2HB LYS 54 HB1 LYS 54 -5.515 -10.960 -0.681 288 1HG LYS 54 HG2 LYS 54 -7.715 -9.731 -2.314 289 2HG LYS 54 HG1 LYS 54 -6.159 -10.200 -3.004 290 1HD LYS 54 HD2 LYS 54 -6.633 -12.402 -2.893 291 2HD LYS 54 HD1 LYS 54 -7.461 -12.251 -1.343 292 1HE LYS 54 HE2 LYS 54 -9.323 -11.097 -2.696 293 2HE LYS 54 HE1 LYS 54 -8.534 -11.802 -4.109 294 1HZ LYS 54 HZ1 LYS 54 -9.170 -13.882 -3.539 295 2HZ LYS 54 HZ2 LYS 54 -10.424 -13.053 -2.763 296 3HZ LYS 54 HZ3 LYS 54 -9.090 -13.591 -1.874 297 H VAL 55 HN VAL 55 -6.373 -11.792 1.931 298 HA VAL 55 HA VAL 55 -5.132 -9.816 3.730 299 HB VAL 55 HB VAL 55 -5.662 -11.262 5.625 300 1HG1 VAL 55 HG11 VAL 55 -7.710 -10.357 5.920 301 2HG1 VAL 55 HG12 VAL 55 -8.329 -10.991 4.395 302 3HG1 VAL 55 HG13 VAL 55 -7.333 -9.535 4.406 303 1HG2 VAL 55 HG21 VAL 55 -6.619 -13.054 3.479 304 2HG2 VAL 55 HG22 VAL 55 -7.597 -12.996 4.945 305 3HG2 VAL 55 HG23 VAL 55 -5.891 -13.438 5.040 306 H VAL 56 HN VAL 56 -3.052 -10.098 4.123 307 HA VAL 56 HA VAL 56 -1.868 -12.763 3.857 308 HB VAL 56 HB VAL 56 -1.539 -11.534 1.712 309 1HG1 VAL 56 HG11 VAL 56 0.096 -9.663 3.421 310 2HG1 VAL 56 HG12 VAL 56 -1.397 -9.270 2.568 311 3HG1 VAL 56 HG13 VAL 56 0.061 -9.669 1.658 312 1HG2 VAL 56 HG21 VAL 56 0.596 -12.334 1.399 313 2HG2 VAL 56 HG22 VAL 56 0.101 -13.221 2.840 314 3HG2 VAL 56 HG23 VAL 56 1.145 -11.806 2.989 315 H ALA 57 HN ALA 57 0.346 -12.863 4.774 316 HA ALA 57 HA ALA 57 0.774 -10.873 6.897 317 1HB ALA 57 HB1 ALA 57 1.717 -13.064 8.108 318 2HB ALA 57 HB2 ALA 57 0.455 -13.805 7.123 319 3HB ALA 57 HB3 ALA 57 0.045 -12.526 8.266 320 H LYS 58 HN LYS 58 2.881 -10.325 7.318 321 HA LYS 58 HA LYS 58 5.146 -10.184 7.079 322 1HB LYS 58 HB2 LYS 58 4.762 -12.858 6.981 323 2HB LYS 58 HB1 LYS 58 5.423 -12.586 5.374 324 1HG LYS 58 HG2 LYS 58 7.364 -12.924 6.477 325 2HG LYS 58 HG1 LYS 58 7.203 -11.193 6.777 326 1HD LYS 58 HD2 LYS 58 5.795 -12.140 8.856 327 2HD LYS 58 HD1 LYS 58 6.919 -13.482 8.630 328 1HE LYS 58 HE2 LYS 58 7.683 -10.585 8.987 329 2HE LYS 58 HE1 LYS 58 7.774 -11.831 10.230 330 1HZ LYS 58 HZ1 LYS 58 9.547 -12.843 9.214 331 2HZ LYS 58 HZ2 LYS 58 9.864 -11.223 8.847 332 3HZ LYS 58 HZ3 LYS 58 9.178 -12.234 7.679 333 H ARG 59 HN ARG 59 4.141 -11.795 4.049 334 HA ARG 59 HA ARG 59 4.570 -9.329 2.574 335 1HB ARG 59 HB2 ARG 59 6.176 -10.348 1.017 336 2HB ARG 59 HB1 ARG 59 6.814 -10.264 2.652 337 1HG ARG 59 HG2 ARG 59 5.440 -12.769 1.981 338 2HG ARG 59 HG1 ARG 59 6.922 -12.455 1.078 339 1HD ARG 59 HD2 ARG 59 7.301 -11.834 3.859 340 2HD ARG 59 HD1 ARG 59 6.679 -13.474 3.682 341 HE ARG 59 HE ARG 59 9.296 -12.610 3.104 342 1HH1 ARG 59 HH11 ARG 59 6.791 -14.684 1.838 343 2HH1 ARG 59 HH12 ARG 59 7.902 -15.753 1.047 344 1HH2 ARG 59 HH21 ARG 59 10.759 -14.016 2.064 345 2HH2 ARG 59 HH22 ARG 59 10.153 -15.375 1.178 346 H GLY 60 HN GLY 60 3.837 -9.434 0.362 347 1HA GLY 60 HA2 GLY 60 2.844 -11.423 -1.127 348 2HA GLY 60 HA1 GLY 60 1.580 -11.243 0.081 349 H ARG 61 HN ARG 61 2.291 -10.467 -2.968 350 HA ARG 61 HA ARG 61 1.457 -8.971 -4.469 351 1HB ARG 61 HB2 ARG 61 -0.320 -8.048 -2.207 352 2HB ARG 61 HB1 ARG 61 -0.587 -7.796 -3.926 353 1HG ARG 61 HG2 ARG 61 -0.677 -10.402 -2.425 354 2HG ARG 61 HG1 ARG 61 -2.020 -9.557 -3.195 355 1HD ARG 61 HD2 ARG 61 -1.530 -11.172 -4.765 356 2HD ARG 61 HD1 ARG 61 -0.580 -9.810 -5.351 357 HE ARG 61 HE ARG 61 0.823 -11.610 -3.579 358 1HH1 ARG 61 HH11 ARG 61 0.020 -10.841 -6.890 359 2HH1 ARG 61 HH12 ARG 61 1.381 -11.687 -7.546 360 1HH2 ARG 61 HH21 ARG 61 2.611 -12.723 -4.443 361 2HH2 ARG 61 HH22 ARG 61 2.850 -12.756 -6.159 362 H THR 62 HN THR 62 0.814 -6.356 -4.507 363 HA THR 62 HA THR 62 3.001 -5.064 -2.984 364 HB THR 62 HB THR 62 2.156 -4.454 -5.824 365 HG1 THR 62 HG1 THR 62 3.382 -6.323 -5.756 366 1HG2 THR 62 HG21 THR 62 2.981 -2.479 -4.568 367 2HG2 THR 62 HG22 THR 62 3.984 -2.932 -5.947 368 3HG2 THR 62 HG23 THR 62 4.499 -3.338 -4.310 369 H PHE 63 HN PHE 63 2.307 -3.459 -1.694 370 HA PHE 63 HA PHE 63 -0.076 -1.969 -2.562 371 1HB PHE 63 HB2 PHE 63 -0.794 -1.949 -0.107 372 2HB PHE 63 HB1 PHE 63 -1.031 -3.445 -1.002 373 HD1 PHE 63 HD1 PHE 63 0.054 -2.107 2.006 374 HD2 PHE 63 HD2 PHE 63 1.065 -5.104 -0.841 375 HE1 PHE 63 HE1 PHE 63 1.296 -3.332 3.741 376 HE2 PHE 63 HE2 PHE 63 2.310 -6.331 0.888 377 HZ PHE 63 HZ PHE 63 2.427 -5.446 3.183 378 H ARG 64 HN ARG 64 -0.266 0.156 -1.650 379 HA ARG 64 HA ARG 64 2.178 1.243 -0.400 380 1HB ARG 64 HB2 ARG 64 0.474 2.523 -2.555 381 2HB ARG 64 HB1 ARG 64 1.750 3.353 -1.674 382 1HG ARG 64 HG2 ARG 64 3.404 2.334 -2.829 383 2HG ARG 64 HG1 ARG 64 2.501 0.829 -3.011 384 1HD ARG 64 HD2 ARG 64 2.880 2.086 -5.141 385 2HD ARG 64 HD1 ARG 64 1.190 1.739 -4.780 386 HE ARG 64 HE ARG 64 1.592 4.222 -3.740 387 1HH1 ARG 64 HH11 ARG 64 2.075 2.793 -6.888 388 2HH1 ARG 64 HH12 ARG 64 1.786 4.272 -7.741 389 1HH2 ARG 64 HH21 ARG 64 1.211 6.167 -4.861 390 2HH2 ARG 64 HH22 ARG 64 1.296 6.188 -6.591 391 H VAL 65 HN VAL 65 1.739 2.300 1.519 392 HA VAL 65 HA VAL 65 -1.104 2.936 1.992 393 HB VAL 65 HB VAL 65 -0.819 2.388 4.319 394 1HG1 VAL 65 HG11 VAL 65 -0.950 0.602 2.307 395 2HG1 VAL 65 HG12 VAL 65 -1.016 0.163 4.013 396 3HG1 VAL 65 HG13 VAL 65 0.505 0.040 3.130 397 1HG2 VAL 65 HG21 VAL 65 1.341 2.997 4.915 398 2HG2 VAL 65 HG22 VAL 65 2.068 2.129 3.562 399 3HG2 VAL 65 HG23 VAL 65 1.415 1.235 4.938 400 H TRP 66 HN TRP 66 -1.742 4.749 2.912 401 HA TRP 66 HA TRP 66 0.241 6.754 3.746 402 1HB TRP 66 HB2 TRP 66 -2.379 7.464 2.438 403 2HB TRP 66 HB1 TRP 66 -0.987 8.498 2.719 404 HD1 TRP 66 HD1 TRP 66 1.274 7.767 1.159 405 HE1 TRP 66 HE1 TRP 66 1.280 7.109 -1.329 406 HE3 TRP 66 HE3 TRP 66 -3.630 6.411 0.663 407 HZ2 TRP 66 HZ2 TRP 66 -0.558 6.146 -3.246 408 HZ3 TRP 66 HZ3 TRP 66 -4.431 5.634 -1.513 409 HH2 TRP 66 HH2 TRP 66 -2.921 5.515 -3.436 410 H TYR 67 HN TYR 67 -0.085 7.536 5.727 411 HA TYR 67 HA TYR 67 -2.753 7.260 6.950 412 1HB TYR 67 HB2 TYR 67 -1.175 5.560 7.841 413 2HB TYR 67 HB1 TYR 67 -0.099 6.856 8.349 414 HD1 TYR 67 HD1 TYR 67 -0.125 7.199 10.621 415 HD2 TYR 67 HD2 TYR 67 -3.769 6.172 8.677 416 HE1 TYR 67 HE1 TYR 67 -1.307 7.347 12.772 417 HE2 TYR 67 HE2 TYR 67 -4.960 6.317 10.823 418 HH TYR 67 HH TYR 67 -3.749 7.798 13.504 419 H LYS 68 HN LYS 68 -3.082 8.758 8.804 420 HA LYS 68 HA LYS 68 -2.381 11.409 8.058 421 1HB LYS 68 HB2 LYS 68 -3.588 10.517 10.679 422 2HB LYS 68 HB1 LYS 68 -3.692 12.112 9.948 423 1HG LYS 68 HG2 LYS 68 -5.087 11.279 8.185 424 2HG LYS 68 HG1 LYS 68 -4.872 9.619 8.745 425 1HD LYS 68 HD2 LYS 68 -6.070 11.759 10.484 426 2HD LYS 68 HD1 LYS 68 -7.045 10.782 9.385 427 1HE LYS 68 HE2 LYS 68 -6.415 8.769 10.514 428 2HE LYS 68 HE1 LYS 68 -5.231 9.629 11.496 429 1HZ LYS 68 HZ1 LYS 68 -7.968 10.590 11.668 430 2HZ LYS 68 HZ2 LYS 68 -6.810 10.395 12.885 431 3HZ LYS 68 HZ3 LYS 68 -7.685 9.059 12.329 432 H GLY 69 HN GLY 69 0.021 10.746 8.150 433 1HA GLY 69 HA2 GLY 69 1.287 12.196 10.160 434 2HA GLY 69 HA1 GLY 69 1.314 10.511 10.659 435 H LYS 70 HN LYS 70 1.656 9.268 8.184 436 HA LYS 70 HA LYS 70 3.891 10.430 6.804 437 1HB LYS 70 HB2 LYS 70 4.315 8.510 8.993 438 2HB LYS 70 HB1 LYS 70 5.138 8.099 7.495 439 1HG LYS 70 HG2 LYS 70 6.620 9.766 7.703 440 2HG LYS 70 HG1 LYS 70 5.413 10.902 8.307 441 1HD LYS 70 HD2 LYS 70 5.530 9.890 10.512 442 2HD LYS 70 HD1 LYS 70 6.674 8.685 9.920 443 1HE LYS 70 HE2 LYS 70 8.412 10.125 9.963 444 2HE LYS 70 HE1 LYS 70 7.427 11.491 9.441 445 1HZ LYS 70 HZ1 LYS 70 6.577 11.719 11.667 446 2HZ LYS 70 HZ2 LYS 70 8.268 11.739 11.717 447 3HZ LYS 70 HZ3 LYS 70 7.424 10.348 12.184 448 H ILE 71 HN ILE 71 4.846 8.779 5.222 449 HA ILE 71 HA ILE 71 2.758 6.915 4.321 450 HB ILE 71 HB ILE 71 3.256 7.482 2.000 451 1HG1 ILE 71 HG12 ILE 71 5.618 8.265 2.474 452 2HG1 ILE 71 HG11 ILE 71 4.700 9.264 1.355 453 1HG2 ILE 71 HG21 ILE 71 2.565 9.930 3.615 454 2HG2 ILE 71 HG22 ILE 71 1.445 8.633 3.201 455 3HG2 ILE 71 HG23 ILE 71 2.147 9.630 1.928 456 1HD1 ILE 71 HD11 ILE 71 4.277 10.289 3.954 457 2HD1 ILE 71 HD12 ILE 71 5.132 11.031 2.603 458 3HD1 ILE 71 HD13 ILE 71 6.007 10.020 3.752 459 H MET 72 HN MET 72 3.427 4.936 3.691 460 HA MET 72 HA MET 72 6.297 4.477 3.284 461 1HB MET 72 HB2 MET 72 4.509 2.886 5.129 462 2HB MET 72 HB1 MET 72 6.126 2.395 4.648 463 1HG MET 72 HG2 MET 72 6.791 4.744 5.583 464 2HG MET 72 HG1 MET 72 5.270 4.592 6.462 465 1HE MET 72 HE1 MET 72 6.608 4.968 8.532 466 2HE MET 72 HE2 MET 72 7.200 3.611 9.491 467 3HE MET 72 HE3 MET 72 5.501 3.686 9.024 468 H ARG 73 HN ARG 73 6.768 2.412 2.221 469 HA ARG 73 HA ARG 73 4.509 1.454 0.586 470 1HB ARG 73 HB2 ARG 73 7.260 2.296 -0.202 471 2HB ARG 73 HB1 ARG 73 6.515 0.972 -1.086 472 1HG ARG 73 HG2 ARG 73 4.497 2.703 -1.190 473 2HG ARG 73 HG1 ARG 73 5.830 3.849 -1.038 474 1HD ARG 73 HD2 ARG 73 5.517 1.705 -3.135 475 2HD ARG 73 HD1 ARG 73 5.357 3.444 -3.375 476 HE ARG 73 HE ARG 73 7.864 3.197 -2.408 477 1HH1 ARG 73 HH11 ARG 73 6.164 1.625 -5.018 478 2HH1 ARG 73 HH12 ARG 73 7.592 1.380 -5.968 479 1HH2 ARG 73 HH21 ARG 73 9.744 2.875 -3.656 480 2HH2 ARG 73 HH22 ARG 73 9.624 2.089 -5.195 481 H ILE 74 HN ILE 74 4.235 -0.717 0.449 482 HA ILE 74 HA ILE 74 6.355 -2.410 1.611 483 HB ILE 74 HB ILE 74 3.399 -2.946 1.840 484 1HG1 ILE 74 HG12 ILE 74 4.660 -2.392 4.358 485 2HG1 ILE 74 HG11 ILE 74 4.953 -1.046 3.262 486 1HG2 ILE 74 HG21 ILE 74 4.309 -4.477 3.695 487 2HG2 ILE 74 HG22 ILE 74 5.865 -4.284 2.887 488 3HG2 ILE 74 HG23 ILE 74 4.502 -4.987 2.018 489 1HD1 ILE 74 HD11 ILE 74 2.977 -0.328 4.021 490 2HD1 ILE 74 HD12 ILE 74 2.476 -1.935 4.546 491 3HD1 ILE 74 HD13 ILE 74 2.317 -1.470 2.852 492 H LYS 75 HN LYS 75 7.111 -3.921 0.314 493 HA LYS 75 HA LYS 75 5.408 -4.911 -1.875 494 1HB LYS 75 HB2 LYS 75 7.485 -5.140 -3.234 495 2HB LYS 75 HB1 LYS 75 7.069 -3.473 -2.860 496 1HG LYS 75 HG2 LYS 75 8.881 -4.745 -0.935 497 2HG LYS 75 HG1 LYS 75 9.534 -4.561 -2.564 498 1HD LYS 75 HD2 LYS 75 8.141 -2.178 -1.654 499 2HD LYS 75 HD1 LYS 75 9.472 -2.626 -0.585 500 1HE LYS 75 HE2 LYS 75 10.493 -1.247 -2.150 501 2HE LYS 75 HE1 LYS 75 10.840 -2.866 -2.756 502 1HZ LYS 75 HZ1 LYS 75 9.048 -2.651 -4.329 503 2HZ LYS 75 HZ2 LYS 75 10.100 -1.338 -4.504 504 3HZ LYS 75 HZ3 LYS 75 8.622 -1.136 -3.710 505 H GLY 76 HN GLY 76 5.124 -7.052 -1.890 506 1HA GLY 76 HA2 GLY 76 6.521 -8.666 0.063 507 2HA GLY 76 HA1 GLY 76 5.219 -9.193 -0.993 508 H ASP 77 HN ASP 77 8.277 -9.836 -0.270 509 HA ASP 77 HA ASP 77 9.453 -10.017 -2.882 510 1HB ASP 77 HB2 ASP 77 10.400 -10.126 -0.257 511 2HB ASP 77 HB1 ASP 77 10.675 -11.745 -0.893
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