NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
458221 | 2kvo | 16782 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 12.170 3.654 10.992 2 H2 MET 1 2H MET 1 12.779 2.069 10.912 3 H3 MET 1 3H MET 1 11.199 2.405 10.384 4 HA MET 1 HA MET 1 12.803 4.100 8.926 5 HB2 MET 1 2HB MET 1 13.942 1.299 9.181 6 HB3 MET 1 3HB MET 1 14.342 2.398 7.861 7 HG2 MET 1 2HG MET 1 15.161 4.060 9.501 8 HG3 MET 1 3HG MET 1 14.783 2.944 10.813 9 HE1 MET 1 3HE MET 1 17.305 4.092 10.908 10 HE2 MET 1 1HE MET 1 18.617 2.912 10.793 11 HE3 MET 1 2HE MET 1 17.243 2.607 11.853 12 H ALA 2 H ALA 2 10.329 2.187 9.484 13 HA ALA 2 HA ALA 2 9.912 0.738 7.047 14 HB1 ALA 2 3HB ALA 2 8.678 0.351 9.193 15 HB2 ALA 2 1HB ALA 2 7.615 0.523 7.798 16 HB3 ALA 2 2HB ALA 2 7.816 1.867 8.922 17 H GLU 3 H GLU 3 9.078 1.384 5.105 18 HA GLU 3 HA GLU 3 7.660 3.943 4.849 19 HB2 GLU 3 2HB GLU 3 9.244 4.816 3.137 20 HB3 GLU 3 3HB GLU 3 9.983 4.702 4.735 21 HG2 GLU 3 2HG GLU 3 10.980 2.523 4.098 22 HG3 GLU 3 3HG GLU 3 10.274 2.684 2.490 23 H ILE 4 H ILE 4 6.871 4.248 2.607 24 HA ILE 4 HA ILE 4 6.418 1.615 1.250 25 HB ILE 4 HB ILE 4 4.800 4.179 1.201 26 HG12 ILE 4 2HG1 ILE 4 4.085 1.460 2.332 27 HG13 ILE 4 3HG1 ILE 4 4.758 2.763 3.311 28 HG21 ILE 4 1HG2 ILE 4 4.499 3.156 -0.921 29 HG22 ILE 4 2HG2 ILE 4 3.134 2.591 0.041 30 HG23 ILE 4 3HG2 ILE 4 4.516 1.533 -0.232 31 HD11 ILE 4 3HD1 ILE 4 2.872 4.161 2.941 32 HD12 ILE 4 1HD1 ILE 4 2.197 2.565 3.264 33 HD13 ILE 4 2HD1 ILE 4 2.295 3.162 1.608 34 H GLN 5 H GLN 5 7.230 1.373 -0.780 35 HA GLN 5 HA GLN 5 8.050 3.824 -2.303 36 HB2 GLN 5 2HB GLN 5 9.586 1.242 -1.907 37 HB3 GLN 5 3HB GLN 5 9.998 2.446 -3.131 38 HG2 GLN 5 2HG GLN 5 10.307 4.146 -1.399 39 HG3 GLN 5 3HG GLN 5 9.810 3.000 -0.154 40 HE21 GLN 5 1HE2 GLN 5 12.503 4.407 -0.701 41 HE22 GLN 5 2HE2 GLN 5 13.629 3.136 -0.721 42 H PHE 6 H PHE 6 7.420 3.837 -4.399 43 HA PHE 6 HA PHE 6 5.864 1.511 -5.404 44 HB2 PHE 6 2HB PHE 6 6.132 4.406 -6.249 45 HB3 PHE 6 3HB PHE 6 5.316 3.213 -7.260 46 HD1 PHE 6 HD1 PHE 6 5.248 4.966 -3.998 47 HD2 PHE 6 HD2 PHE 6 3.161 2.321 -6.658 48 HE1 PHE 6 HE1 PHE 6 3.191 5.220 -2.635 49 HE2 PHE 6 HE2 PHE 6 1.105 2.571 -5.296 50 HZ PHE 6 HZ PHE 6 1.119 4.021 -3.283 51 H SER 7 H SER 7 8.983 2.830 -5.635 52 HA SER 7 HA SER 7 9.612 1.031 -7.892 53 HB2 SER 7 2HB SER 7 10.312 3.983 -7.994 54 HB3 SER 7 3HB SER 7 10.719 2.767 -9.202 55 HG SER 7 HG SER 7 8.361 2.421 -9.310 56 H LYS 8 H LYS 8 10.199 1.477 -4.952 57 HA LYS 8 HA LYS 8 12.007 1.250 -3.501 58 HB2 LYS 8 2HB LYS 8 13.242 0.185 -6.046 59 HB3 LYS 8 3HB LYS 8 14.028 0.103 -4.472 60 HG2 LYS 8 2HG LYS 8 12.021 -1.093 -3.588 61 HG3 LYS 8 3HG LYS 8 11.361 -1.124 -5.221 62 HD2 LYS 8 2HD LYS 8 14.002 -2.342 -4.353 63 HD3 LYS 8 3HD LYS 8 12.525 -3.238 -4.702 64 HE2 LYS 8 2HE LYS 8 14.347 -1.782 -6.604 65 HE3 LYS 8 3HE LYS 8 13.684 -3.410 -6.729 66 HZ1 LYS 8 3HZ LYS 8 12.384 -0.833 -7.284 67 HZ2 LYS 8 1HZ LYS 8 11.439 -2.160 -6.817 68 HZ3 LYS 8 2HZ LYS 8 12.399 -2.254 -8.215 69 H GLY 9 H GLY 9 13.084 2.910 -2.666 70 HA2 GLY 9 2HA GLY 9 14.974 4.419 -2.601 71 HA3 GLY 9 3HA GLY 9 14.977 4.460 -4.365 72 H VAL 10 H VAL 10 11.867 4.702 -4.043 73 HA VAL 10 HA VAL 10 11.910 7.678 -3.832 74 HB VAL 10 HB VAL 10 9.710 5.884 -4.886 75 HG11 VAL 10 1HG1 VAL 10 8.946 8.109 -4.256 76 HG12 VAL 10 2HG1 VAL 10 9.044 8.023 -6.016 77 HG13 VAL 10 3HG1 VAL 10 10.305 8.851 -5.102 78 HG21 VAL 10 3HG2 VAL 10 11.987 7.301 -6.310 79 HG22 VAL 10 1HG2 VAL 10 10.605 6.572 -7.127 80 HG23 VAL 10 2HG2 VAL 10 11.729 5.558 -6.222 81 H ALA 11 H ALA 11 11.756 8.060 -1.641 82 HA ALA 11 HA ALA 11 9.936 6.613 0.094 83 HB1 ALA 11 3HB ALA 11 11.324 9.272 0.537 84 HB2 ALA 11 1HB ALA 11 12.042 7.697 0.877 85 HB3 ALA 11 2HB ALA 11 10.628 8.236 1.784 86 H GLU 12 H GLU 12 7.826 7.075 0.514 87 HA GLU 12 HA GLU 12 6.669 9.578 -0.659 88 HB2 GLU 12 2HB GLU 12 5.408 6.885 -0.066 89 HB3 GLU 12 3HB GLU 12 4.513 8.300 -0.624 90 HG2 GLU 12 2HG GLU 12 6.845 7.052 -2.104 91 HG3 GLU 12 3HG GLU 12 5.151 6.755 -2.486 92 H THR 13 H THR 13 6.073 11.061 0.764 93 HA THR 13 HA THR 13 5.795 10.349 3.627 94 HB THR 13 HB THR 13 7.154 12.328 2.940 95 HG1 THR 13 HG1 THR 13 5.698 12.140 4.912 96 HG21 THR 13 3HG2 THR 13 4.502 13.538 2.119 97 HG22 THR 13 1HG2 THR 13 5.692 12.914 0.975 98 HG23 THR 13 2HG2 THR 13 6.095 14.286 2.007 99 H VAL 14 H VAL 14 3.844 10.479 0.949 100 HA VAL 14 HA VAL 14 1.514 11.846 1.678 101 HB VAL 14 HB VAL 14 1.675 9.153 0.295 102 HG11 VAL 14 1HG1 VAL 14 -0.437 10.079 -0.816 103 HG12 VAL 14 2HG1 VAL 14 -0.459 11.291 0.465 104 HG13 VAL 14 3HG1 VAL 14 -0.605 9.580 0.868 105 HG21 VAL 14 3HG2 VAL 14 1.572 11.912 -0.947 106 HG22 VAL 14 1HG2 VAL 14 1.900 10.377 -1.751 107 HG23 VAL 14 2HG2 VAL 14 3.088 11.062 -0.644 108 H VAL 15 H VAL 15 -0.491 11.072 2.651 109 HA VAL 15 HA VAL 15 -0.037 9.008 4.780 110 HB VAL 15 HB VAL 15 -1.882 11.404 4.793 111 HG11 VAL 15 1HG1 VAL 15 -1.964 10.739 7.280 112 HG12 VAL 15 2HG1 VAL 15 -1.296 9.189 6.768 113 HG13 VAL 15 3HG1 VAL 15 -2.865 9.719 6.160 114 HG21 VAL 15 3HG2 VAL 15 0.630 10.867 6.398 115 HG22 VAL 15 1HG2 VAL 15 -0.309 12.360 6.363 116 HG23 VAL 15 2HG2 VAL 15 0.604 11.858 4.939 117 HA PRO 16 HA PRO 16 -3.465 7.436 2.071 118 HB2 PRO 16 2HB PRO 16 -2.570 4.898 1.764 119 HB3 PRO 16 3HB PRO 16 -1.933 6.240 0.795 120 HG2 PRO 16 2HG PRO 16 -0.749 4.919 3.192 121 HG3 PRO 16 3HG PRO 16 0.040 5.460 1.701 122 HD2 PRO 16 2HD PRO 16 0.066 6.903 4.049 123 HD3 PRO 16 3HD PRO 16 0.254 7.642 2.448 124 H GLU 17 H GLU 17 -5.229 6.079 2.679 125 HA GLU 17 HA GLU 17 -5.326 5.479 5.564 126 HB2 GLU 17 2HB GLU 17 -7.236 6.591 4.428 127 HB3 GLU 17 3HB GLU 17 -7.459 5.147 3.438 128 HG2 GLU 17 2HG GLU 17 -7.887 3.799 5.426 129 HG3 GLU 17 3HG GLU 17 -7.548 5.179 6.469 130 H VAL 18 H VAL 18 -5.864 3.388 6.394 131 HA VAL 18 HA VAL 18 -5.203 1.116 4.543 132 HB VAL 18 HB VAL 18 -4.607 1.510 7.487 133 HG11 VAL 18 1HG1 VAL 18 -5.233 -0.776 7.317 134 HG12 VAL 18 2HG1 VAL 18 -3.475 -0.785 7.173 135 HG13 VAL 18 3HG1 VAL 18 -4.477 -0.949 5.731 136 HG21 VAL 18 3HG2 VAL 18 -2.978 2.590 6.091 137 HG22 VAL 18 1HG2 VAL 18 -2.918 1.214 4.990 138 HG23 VAL 18 2HG2 VAL 18 -2.258 1.068 6.618 139 H ARG 19 H ARG 19 -6.738 -0.393 4.340 140 HA ARG 19 HA ARG 19 -8.859 -0.628 6.437 141 HB2 ARG 19 2HB ARG 19 -9.243 -0.513 3.430 142 HB3 ARG 19 3HB ARG 19 -10.498 -0.993 4.574 143 HG2 ARG 19 2HG ARG 19 -10.321 1.189 5.702 144 HG3 ARG 19 3HG ARG 19 -9.051 1.672 4.577 145 HD2 ARG 19 2HD ARG 19 -11.838 0.860 3.707 146 HD3 ARG 19 3HD ARG 19 -11.345 2.532 3.971 147 HE ARG 19 HE ARG 19 -9.477 1.329 2.195 148 HH11 ARG 19 1HH2 ARG 19 -12.789 2.287 2.382 149 HH12 ARG 19 2HH2 ARG 19 -12.927 2.598 0.683 150 HH21 ARG 19 1HH1 ARG 19 -9.647 1.732 -0.015 151 HH22 ARG 19 2HH1 ARG 19 -11.151 2.286 -0.672 152 H LEU 20 H LEU 20 -9.592 -2.742 6.756 153 HA LEU 20 HA LEU 20 -7.911 -4.865 5.496 154 HB2 LEU 20 2HB LEU 20 -9.671 -4.977 7.960 155 HB3 LEU 20 3HB LEU 20 -8.578 -6.245 7.403 156 HG LEU 20 HG LEU 20 -7.755 -3.451 8.253 157 HD11 LEU 20 1HD1 LEU 20 -8.458 -4.875 10.136 158 HD12 LEU 20 2HD1 LEU 20 -6.714 -4.613 10.166 159 HD13 LEU 20 3HD1 LEU 20 -7.367 -6.147 9.588 160 HD21 LEU 20 3HD2 LEU 20 -6.118 -4.070 6.694 161 HD22 LEU 20 1HD2 LEU 20 -6.265 -5.788 7.064 162 HD23 LEU 20 2HD2 LEU 20 -5.437 -4.708 8.184 163 H SER 21 H SER 21 -8.822 -6.526 4.364 164 HA SER 21 HA SER 21 -11.754 -6.850 4.314 165 HB2 SER 21 2HB SER 21 -10.151 -6.074 1.861 166 HB3 SER 21 3HB SER 21 -11.815 -6.651 1.827 167 HG SER 21 HG SER 21 -10.848 -4.192 2.391 168 H LYS 22 H LYS 22 -12.334 -8.739 2.889 169 HA LYS 22 HA LYS 22 -10.211 -10.832 3.089 170 HB2 LYS 22 2HB LYS 22 -12.084 -12.434 3.051 171 HB3 LYS 22 3HB LYS 22 -12.276 -11.266 4.357 172 HG2 LYS 22 2HG LYS 22 -13.800 -9.931 2.911 173 HG3 LYS 22 3HG LYS 22 -13.651 -11.160 1.654 174 HD2 LYS 22 2HD LYS 22 -14.574 -12.855 3.181 175 HD3 LYS 22 3HD LYS 22 -14.707 -11.645 4.456 176 HE2 LYS 22 2HE LYS 22 -16.266 -10.337 3.064 177 HE3 LYS 22 3HE LYS 22 -16.130 -11.537 1.779 178 HZ1 LYS 22 3HZ LYS 22 -18.093 -11.946 3.088 179 HZ2 LYS 22 1HZ LYS 22 -17.183 -12.005 4.517 180 HZ3 LYS 22 2HZ LYS 22 -16.983 -13.208 3.334 181 H SER 23 H SER 23 -10.342 -12.530 1.355 182 HA SER 23 HA SER 23 -10.092 -11.305 -1.230 183 HB2 SER 23 2HB SER 23 -9.884 -13.723 -1.992 184 HB3 SER 23 3HB SER 23 -8.735 -13.209 -0.759 185 HG SER 23 HG SER 23 -11.191 -14.568 -0.304 186 H LYS 24 H LYS 24 -11.266 -12.292 -3.177 187 HA LYS 24 HA LYS 24 -14.047 -11.686 -3.011 188 HB2 LYS 24 2HB LYS 24 -12.472 -13.248 -5.078 189 HB3 LYS 24 3HB LYS 24 -14.147 -12.741 -5.293 190 HG2 LYS 24 2HG LYS 24 -13.461 -10.378 -4.985 191 HG3 LYS 24 3HG LYS 24 -11.785 -10.900 -4.806 192 HD2 LYS 24 2HD LYS 24 -11.799 -11.829 -7.074 193 HD3 LYS 24 3HD LYS 24 -13.499 -11.394 -7.260 194 HE2 LYS 24 2HE LYS 24 -12.092 -9.704 -8.339 195 HE3 LYS 24 3HE LYS 24 -12.898 -9.002 -6.936 196 HZ1 LYS 24 3HZ LYS 24 -10.331 -8.720 -7.323 197 HZ2 LYS 24 1HZ LYS 24 -10.270 -10.225 -6.543 198 HZ3 LYS 24 2HZ LYS 24 -10.973 -8.892 -5.760 199 H ASN 25 H ASN 25 -12.302 -14.784 -2.939 200 HA ASN 25 HA ASN 25 -14.838 -16.283 -2.675 201 HB2 ASN 25 2HB ASN 25 -11.919 -17.106 -2.728 202 HB3 ASN 25 3HB ASN 25 -13.240 -18.252 -2.480 203 HD21 ASN 25 1HD2 ASN 25 -11.506 -18.359 -4.796 204 HD22 ASN 25 2HD2 ASN 25 -12.448 -18.009 -6.166 205 H GLY 26 H GLY 26 -12.916 -14.499 -0.642 206 HA2 GLY 26 2HA GLY 26 -12.949 -14.304 1.704 207 HA3 GLY 26 3HA GLY 26 -14.155 -15.589 1.742 208 H GLN 27 H GLN 27 -11.310 -16.320 -0.016 209 HA GLN 27 HA GLN 27 -10.612 -18.410 1.897 210 HB2 GLN 27 2HB GLN 27 -10.465 -18.790 -0.538 211 HB3 GLN 27 3HB GLN 27 -9.227 -17.542 -0.657 212 HG2 GLN 27 2HG GLN 27 -7.720 -18.818 0.755 213 HG3 GLN 27 3HG GLN 27 -8.976 -20.012 1.082 214 HE21 GLN 27 1HE2 GLN 27 -6.458 -20.732 -0.106 215 HE22 GLN 27 2HE2 GLN 27 -6.756 -21.255 -1.694 216 H SER 28 H SER 28 -8.058 -16.612 0.299 217 HA SER 28 HA SER 28 -6.628 -16.376 2.820 218 HB2 SER 28 2HB SER 28 -6.009 -15.585 -0.024 219 HB3 SER 28 3HB SER 28 -4.939 -15.160 1.311 220 HG SER 28 HG SER 28 -4.498 -17.246 1.642 221 H GLY 29 H GLY 29 -5.998 -14.457 3.844 222 HA2 GLY 29 2HA GLY 29 -7.949 -12.292 3.658 223 HA3 GLY 29 3HA GLY 29 -6.638 -12.411 4.828 224 H MET 30 H MET 30 -7.260 -10.009 3.520 225 HA MET 30 HA MET 30 -4.664 -9.400 2.338 226 HB2 MET 30 2HB MET 30 -5.938 -8.311 0.296 227 HB3 MET 30 3HB MET 30 -5.524 -10.022 0.254 228 HG2 MET 30 2HG MET 30 -7.761 -10.631 1.006 229 HG3 MET 30 3HG MET 30 -8.192 -8.929 1.186 230 HE1 MET 30 3HE MET 30 -8.591 -7.503 -2.212 231 HE2 MET 30 1HE MET 30 -7.774 -7.237 -0.667 232 HE3 MET 30 2HE MET 30 -9.479 -7.677 -0.702 233 H ALA 31 H ALA 31 -4.655 -6.973 1.710 234 HA ALA 31 HA ALA 31 -6.577 -5.408 3.385 235 HB1 ALA 31 3HB ALA 31 -4.623 -5.627 4.775 236 HB2 ALA 31 1HB ALA 31 -4.595 -4.002 4.094 237 HB3 ALA 31 2HB ALA 31 -3.551 -5.257 3.423 238 H LYS 32 H LYS 32 -6.945 -3.298 2.623 239 HA LYS 32 HA LYS 32 -5.990 -2.775 -0.169 240 HB2 LYS 32 2HB LYS 32 -8.485 -1.917 1.317 241 HB3 LYS 32 3HB LYS 32 -8.032 -1.293 -0.270 242 HG2 LYS 32 2HG LYS 32 -8.037 -3.586 -1.177 243 HG3 LYS 32 3HG LYS 32 -8.483 -4.216 0.409 244 HD2 LYS 32 2HD LYS 32 -10.574 -2.918 0.350 245 HD3 LYS 32 3HD LYS 32 -10.129 -2.261 -1.226 246 HE2 LYS 32 2HE LYS 32 -10.106 -4.545 -2.171 247 HE3 LYS 32 3HE LYS 32 -10.560 -5.198 -0.598 248 HZ1 LYS 32 3HZ LYS 32 -12.522 -3.590 -0.772 249 HZ2 LYS 32 1HZ LYS 32 -12.565 -5.000 -1.713 250 HZ3 LYS 32 2HZ LYS 32 -12.150 -3.517 -2.428 251 H PHE 33 H PHE 33 -5.234 -0.689 -0.687 252 HA PHE 33 HA PHE 33 -4.727 1.156 1.628 253 HB2 PHE 33 2HB PHE 33 -2.870 0.358 -0.631 254 HB3 PHE 33 3HB PHE 33 -2.566 1.711 0.459 255 HD1 PHE 33 HD1 PHE 33 -2.048 1.348 2.815 256 HD2 PHE 33 HD2 PHE 33 -2.788 -1.954 0.173 257 HE1 PHE 33 HE1 PHE 33 -1.125 -0.212 4.508 258 HE2 PHE 33 HE2 PHE 33 -1.865 -3.515 1.865 259 HZ PHE 33 HZ PHE 33 -1.034 -2.643 4.033 260 H TYR 34 H TYR 34 -5.220 3.266 1.234 261 HA TYR 34 HA TYR 34 -6.136 3.985 -1.531 262 HB2 TYR 34 2HB TYR 34 -7.886 3.984 0.252 263 HB3 TYR 34 3HB TYR 34 -6.955 5.204 1.120 264 HD1 TYR 34 HD1 TYR 34 -8.517 4.504 -2.201 265 HD2 TYR 34 HD2 TYR 34 -7.236 7.492 0.606 266 HE1 TYR 34 HE1 TYR 34 -9.538 6.266 -3.613 267 HE2 TYR 34 HE2 TYR 34 -8.258 9.255 -0.807 268 HH TYR 34 HH TYR 34 -9.139 8.801 -3.962 269 H PHE 35 H PHE 35 -4.883 5.424 -2.550 270 HA PHE 35 HA PHE 35 -3.078 7.201 -0.948 271 HB2 PHE 35 2HB PHE 35 -2.838 5.995 -3.708 272 HB3 PHE 35 3HB PHE 35 -1.830 7.344 -3.185 273 HD1 PHE 35 HD2 PHE 35 -2.677 3.792 -2.588 274 HD2 PHE 35 HD1 PHE 35 -0.102 7.060 -1.525 275 HE1 PHE 35 HE2 PHE 35 -1.175 2.221 -1.393 276 HE2 PHE 35 HE1 PHE 35 1.398 5.491 -0.330 277 HZ PHE 35 HZ PHE 35 0.862 3.074 -0.262 278 H LEU 36 H LEU 36 -3.642 9.291 -0.935 279 HA LEU 36 HA LEU 36 -5.502 10.273 -3.050 280 HB2 LEU 36 2HB LEU 36 -6.204 10.486 -0.667 281 HB3 LEU 36 3HB LEU 36 -4.812 11.528 -0.381 282 HG LEU 36 HG LEU 36 -5.655 13.089 -2.135 283 HD11 LEU 36 1HD1 LEU 36 -7.007 11.930 -3.622 284 HD12 LEU 36 2HD1 LEU 36 -8.245 12.654 -2.603 285 HD13 LEU 36 3HD1 LEU 36 -7.774 10.973 -2.355 286 HD21 LEU 36 3HD2 LEU 36 -6.236 13.256 0.342 287 HD22 LEU 36 1HD2 LEU 36 -7.796 12.540 -0.066 288 HD23 LEU 36 2HD2 LEU 36 -7.332 14.095 -0.757 289 H GLU 37 H GLU 37 -4.751 11.567 -4.570 290 HA GLU 37 HA GLU 37 -3.208 12.804 -5.827 291 HB2 GLU 37 2HB GLU 37 -3.357 14.285 -3.193 292 HB3 GLU 37 3HB GLU 37 -2.549 14.937 -4.621 293 HG2 GLU 37 2HG GLU 37 -4.590 14.865 -5.902 294 HG3 GLU 37 3HG GLU 37 -5.421 13.980 -4.624 295 HA PRO 38 HA PRO 38 0.507 10.992 -3.530 296 HB2 PRO 38 2HB PRO 38 1.065 8.986 -5.338 297 HB3 PRO 38 3HB PRO 38 0.035 8.766 -3.912 298 HG2 PRO 38 2HG PRO 38 -0.753 9.230 -6.752 299 HG3 PRO 38 3HG PRO 38 -1.468 8.145 -5.547 300 HD2 PRO 38 2HD PRO 38 -2.581 10.558 -6.179 301 HD3 PRO 38 3HD PRO 38 -2.708 9.843 -4.557 302 H THR 39 H THR 39 2.652 11.412 -4.153 303 HA THR 39 HA THR 39 2.993 13.322 -6.304 304 HB THR 39 HB THR 39 5.375 13.287 -5.587 305 HG1 THR 39 HG1 THR 39 5.732 11.926 -3.676 306 HG21 THR 39 3HG2 THR 39 4.944 13.981 -3.217 307 HG22 THR 39 1HG2 THR 39 3.297 13.371 -3.384 308 HG23 THR 39 2HG2 THR 39 3.840 14.725 -4.374 309 H ILE 40 H ILE 40 3.295 9.879 -6.067 310 HA ILE 40 HA ILE 40 5.275 9.403 -8.049 311 HB ILE 40 HB ILE 40 4.071 7.750 -6.442 312 HG12 ILE 40 2HG1 ILE 40 4.439 5.856 -8.072 313 HG13 ILE 40 3HG1 ILE 40 4.683 7.055 -9.333 314 HG21 ILE 40 1HG2 ILE 40 2.267 7.347 -8.831 315 HG22 ILE 40 2HG2 ILE 40 1.793 8.365 -7.472 316 HG23 ILE 40 3HG2 ILE 40 2.118 6.650 -7.218 317 HD11 ILE 40 3HD1 ILE 40 6.712 6.031 -7.852 318 HD12 ILE 40 1HD1 ILE 40 6.316 7.435 -6.864 319 HD13 ILE 40 2HD1 ILE 40 6.759 7.646 -8.556 320 H LEU 41 H LEU 41 2.501 11.125 -8.454 321 HA LEU 41 HA LEU 41 1.846 10.128 -11.164 322 HB2 LEU 41 2HB LEU 41 0.735 12.426 -9.530 323 HB3 LEU 41 3HB LEU 41 0.100 11.891 -11.085 324 HG LEU 41 HG LEU 41 0.303 10.150 -8.610 325 HD11 LEU 41 1HD1 LEU 41 -2.243 10.367 -8.697 326 HD12 LEU 41 2HD1 LEU 41 -1.994 11.715 -9.806 327 HD13 LEU 41 3HD1 LEU 41 -1.365 11.799 -8.161 328 HD21 LEU 41 3HD2 LEU 41 -0.662 9.705 -11.429 329 HD22 LEU 41 1HD2 LEU 41 -1.447 8.838 -10.109 330 HD23 LEU 41 2HD2 LEU 41 0.278 8.633 -10.388 331 H ALA 42 H ALA 42 4.013 12.285 -9.734 332 HA ALA 42 HA ALA 42 4.142 14.037 -12.152 333 HB1 ALA 42 3HB ALA 42 5.292 14.258 -9.364 334 HB2 ALA 42 1HB ALA 42 4.099 15.308 -10.130 335 HB3 ALA 42 2HB ALA 42 5.774 15.328 -10.679 336 H LYS 43 H LYS 43 5.839 11.519 -10.428 337 HA LYS 43 HA LYS 43 8.308 11.929 -12.023 338 HB2 LYS 43 2HB LYS 43 7.586 9.974 -9.823 339 HB3 LYS 43 3HB LYS 43 9.137 9.979 -10.662 340 HG2 LYS 43 2HG LYS 43 9.522 12.309 -9.947 341 HG3 LYS 43 3HG LYS 43 7.971 12.308 -9.109 342 HD2 LYS 43 2HD LYS 43 8.733 10.507 -7.633 343 HD3 LYS 43 3HD LYS 43 10.267 10.422 -8.501 344 HE2 LYS 43 2HE LYS 43 10.555 11.746 -6.464 345 HE3 LYS 43 3HE LYS 43 10.719 12.790 -7.877 346 HZ1 LYS 43 3HZ LYS 43 9.168 13.423 -5.866 347 HZ2 LYS 43 1HZ LYS 43 8.054 12.468 -6.717 348 HZ3 LYS 43 2HZ LYS 43 8.756 13.822 -7.466 349 H GLU 44 H GLU 44 6.558 8.935 -11.182 350 HA GLU 44 HA GLU 44 7.007 7.986 -13.978 351 HB2 GLU 44 2HB GLU 44 6.429 6.493 -11.406 352 HB3 GLU 44 3HB GLU 44 6.573 5.727 -12.989 353 HG2 GLU 44 2HG GLU 44 8.738 7.426 -11.711 354 HG3 GLU 44 3HG GLU 44 8.703 5.663 -11.668 355 H SER 45 H SER 45 5.340 7.088 -15.175 356 HA SER 45 HA SER 45 2.720 8.214 -14.749 357 HB2 SER 45 2HB SER 45 3.878 6.257 -16.731 358 HB3 SER 45 3HB SER 45 2.161 6.651 -16.732 359 HG SER 45 HG SER 45 3.486 8.920 -16.529 360 H THR 46 H THR 46 0.742 7.013 -14.475 361 HA THR 46 HA THR 46 0.836 5.042 -12.395 362 HB THR 46 HB THR 46 -1.617 4.829 -12.866 363 HG1 THR 46 HG1 THR 46 -1.039 6.732 -14.887 364 HG21 THR 46 3HG2 THR 46 -0.746 6.617 -11.396 365 HG22 THR 46 1HG2 THR 46 -2.165 7.158 -12.293 366 HG23 THR 46 2HG2 THR 46 -0.554 7.669 -12.799 367 H ASP 47 H ASP 47 0.595 4.832 -15.910 368 HA ASP 47 HA ASP 47 -0.069 2.003 -15.924 369 HB2 ASP 47 2HB ASP 47 0.467 2.153 -18.356 370 HB3 ASP 47 3HB ASP 47 -0.671 3.394 -17.833 371 H ASP 48 H ASP 48 2.753 3.683 -15.201 372 HA ASP 48 HA ASP 48 4.579 1.578 -16.223 373 HB2 ASP 48 2HB ASP 48 5.058 4.178 -14.740 374 HB3 ASP 48 3HB ASP 48 6.342 3.056 -15.189 375 H ILE 49 H ILE 49 2.622 2.020 -13.555 376 HA ILE 49 HA ILE 49 4.512 0.783 -11.623 377 HB ILE 49 HB ILE 49 1.659 1.757 -11.277 378 HG12 ILE 49 2HG1 ILE 49 4.248 2.950 -10.251 379 HG13 ILE 49 3HG1 ILE 49 3.455 3.489 -11.731 380 HG21 ILE 49 1HG2 ILE 49 2.082 0.035 -9.652 381 HG22 ILE 49 2HG2 ILE 49 2.287 1.577 -8.820 382 HG23 ILE 49 3HG2 ILE 49 3.702 0.655 -9.330 383 HD11 ILE 49 3HD1 ILE 49 2.764 4.932 -9.894 384 HD12 ILE 49 1HD1 ILE 49 2.277 3.534 -8.936 385 HD13 ILE 49 2HD1 ILE 49 1.388 3.954 -10.400 386 H THR 50 H THR 50 4.566 -1.385 -11.410 387 HA THR 50 HA THR 50 2.126 -2.977 -12.147 388 HB THR 50 HB THR 50 4.939 -4.066 -12.299 389 HG1 THR 50 HG1 THR 50 4.076 -2.059 -13.719 390 HG21 THR 50 3HG2 THR 50 2.334 -4.723 -13.707 391 HG22 THR 50 1HG2 THR 50 3.075 -5.655 -12.406 392 HG23 THR 50 2HG2 THR 50 3.870 -5.551 -13.975 393 H GLY 51 H GLY 51 4.074 -1.974 -9.622 394 HA2 GLY 51 2HA GLY 51 2.872 -3.833 -7.789 395 HA3 GLY 51 3HA GLY 51 4.545 -4.287 -8.096 396 H MET 52 H MET 52 3.919 -3.627 -5.556 397 HA MET 52 HA MET 52 5.176 -0.930 -5.178 398 HB2 MET 52 2HB MET 52 2.762 -2.172 -3.872 399 HB3 MET 52 3HB MET 52 3.761 -1.062 -2.934 400 HG2 MET 52 2HG MET 52 3.432 0.702 -4.536 401 HG3 MET 52 3HG MET 52 2.635 -0.392 -5.663 402 HE1 MET 52 3HE MET 52 2.802 1.131 -2.315 403 HE2 MET 52 1HE MET 52 1.995 -0.277 -1.612 404 HE3 MET 52 2HE MET 52 1.158 1.268 -1.699 405 H TYR 53 H TYR 53 6.756 -0.848 -3.578 406 HA TYR 53 HA TYR 53 7.577 -3.491 -2.431 407 HB2 TYR 53 2HB TYR 53 9.171 -0.984 -3.034 408 HB3 TYR 53 3HB TYR 53 9.826 -2.419 -2.240 409 HD1 TYR 53 HD1 TYR 53 8.419 -1.084 -5.395 410 HD2 TYR 53 HD2 TYR 53 10.236 -4.462 -3.461 411 HE1 TYR 53 HE1 TYR 53 8.773 -2.158 -7.604 412 HE2 TYR 53 HE2 TYR 53 10.590 -5.536 -5.670 413 HH TYR 53 HH TYR 53 10.313 -5.370 -7.859 414 H LEU 54 H LEU 54 6.796 -3.641 -0.400 415 HA LEU 54 HA LEU 54 6.658 -1.241 1.341 416 HB2 LEU 54 2HB LEU 54 5.774 -4.100 1.858 417 HB3 LEU 54 3HB LEU 54 5.387 -2.697 2.852 418 HG LEU 54 HG LEU 54 4.574 -3.051 -0.051 419 HD11 LEU 54 1HD1 LEU 54 2.279 -3.283 0.907 420 HD12 LEU 54 2HD1 LEU 54 2.987 -3.305 2.522 421 HD13 LEU 54 3HD1 LEU 54 3.351 -4.601 1.381 422 HD21 LEU 54 3HD2 LEU 54 4.677 -0.726 0.305 423 HD22 LEU 54 1HD2 LEU 54 4.181 -0.862 1.991 424 HD23 LEU 54 2HD2 LEU 54 3.002 -1.094 0.699 425 H ILE 55 H ILE 55 8.586 -0.785 2.318 426 HA ILE 55 HA ILE 55 10.385 -3.036 3.075 427 HB ILE 55 HB ILE 55 10.788 -0.037 2.943 428 HG12 ILE 55 2HG1 ILE 55 12.406 -0.738 1.139 429 HG13 ILE 55 3HG1 ILE 55 11.804 -2.384 1.308 430 HG21 ILE 55 1HG2 ILE 55 12.588 -2.266 3.904 431 HG22 ILE 55 2HG2 ILE 55 12.191 -0.755 4.722 432 HG23 ILE 55 3HG2 ILE 55 13.237 -0.741 3.303 433 HD11 ILE 55 3HD1 ILE 55 9.780 -1.895 0.312 434 HD12 ILE 55 1HD1 ILE 55 10.782 -0.697 -0.502 435 HD13 ILE 55 2HD1 ILE 55 9.776 -0.221 0.864 436 H ASP 56 H ASP 56 9.993 -3.842 5.050 437 HA ASP 56 HA ASP 56 8.946 -2.097 7.207 438 HB2 ASP 56 2HB ASP 56 9.334 -5.087 6.935 439 HB3 ASP 56 3HB ASP 56 8.837 -4.323 8.446 440 H ASP 57 H ASP 57 9.947 -2.748 9.457 441 HA ASP 57 HA ASP 57 12.654 -1.833 9.514 442 HB2 ASP 57 2HB ASP 57 10.908 -3.221 11.557 443 HB3 ASP 57 3HB ASP 57 12.543 -2.670 11.925 444 H GLU 58 H GLU 58 11.242 -5.091 9.680 445 HA GLU 58 HA GLU 58 13.917 -6.304 9.982 446 HB2 GLU 58 2HB GLU 58 11.867 -7.203 11.146 447 HB3 GLU 58 3HB GLU 58 11.250 -7.676 9.563 448 HG2 GLU 58 2HG GLU 58 12.338 -9.606 10.506 449 HG3 GLU 58 3HG GLU 58 13.385 -8.997 9.227 450 H GLY 59 H GLY 59 11.285 -7.296 7.788 451 HA2 GLY 59 2HA GLY 59 13.320 -7.492 5.589 452 HA3 GLY 59 3HA GLY 59 11.952 -8.581 5.769 453 H GLU 60 H GLU 60 11.325 -8.063 3.609 454 HA GLU 60 HA GLU 60 9.712 -5.572 3.445 455 HB2 GLU 60 2HB GLU 60 10.546 -5.320 1.043 456 HB3 GLU 60 3HB GLU 60 11.700 -4.889 2.304 457 HG2 GLU 60 2HG GLU 60 11.614 -7.656 1.087 458 HG3 GLU 60 3HG GLU 60 12.589 -6.359 0.400 459 H ILE 61 H ILE 61 7.969 -5.756 1.905 460 HA ILE 61 HA ILE 61 7.380 -8.577 1.059 461 HB ILE 61 HB ILE 61 5.477 -6.414 1.995 462 HG12 ILE 61 2HG1 ILE 61 6.067 -9.147 3.161 463 HG13 ILE 61 3HG1 ILE 61 6.866 -7.676 3.712 464 HG21 ILE 61 1HG2 ILE 61 4.374 -7.646 0.259 465 HG22 ILE 61 2HG2 ILE 61 3.808 -8.332 1.783 466 HG23 ILE 61 3HG2 ILE 61 5.036 -9.176 0.838 467 HD11 ILE 61 3HD1 ILE 61 4.839 -6.740 4.509 468 HD12 ILE 61 1HD1 ILE 61 4.774 -8.428 5.015 469 HD13 ILE 61 2HD1 ILE 61 3.855 -7.893 3.608 470 H ILE 62 H ILE 62 6.845 -8.889 -1.043 471 HA ILE 62 HA ILE 62 6.849 -6.501 -2.830 472 HB ILE 62 HB ILE 62 7.045 -9.446 -3.523 473 HG12 ILE 62 2HG1 ILE 62 8.968 -8.841 -2.174 474 HG13 ILE 62 3HG1 ILE 62 9.481 -8.931 -3.856 475 HG21 ILE 62 1HG2 ILE 62 6.274 -8.087 -5.384 476 HG22 ILE 62 2HG2 ILE 62 7.954 -8.541 -5.667 477 HG23 ILE 62 3HG2 ILE 62 7.564 -6.916 -5.107 478 HD11 ILE 62 3HD1 ILE 62 8.944 -6.358 -3.885 479 HD12 ILE 62 1HD1 ILE 62 10.449 -6.916 -3.158 480 HD13 ILE 62 2HD1 ILE 62 9.078 -6.499 -2.134 481 H THR 63 H THR 63 5.003 -5.823 -3.705 482 HA THR 63 HA THR 63 2.657 -7.692 -3.801 483 HB THR 63 HB THR 63 2.718 -4.704 -3.284 484 HG1 THR 63 HG1 THR 63 3.110 -5.616 -1.391 485 HG21 THR 63 3HG2 THR 63 0.219 -5.175 -2.846 486 HG22 THR 63 1HG2 THR 63 0.470 -6.658 -3.769 487 HG23 THR 63 2HG2 THR 63 0.747 -5.088 -4.527 488 H ARG 64 H ARG 64 1.962 -8.054 -5.820 489 HA ARG 64 HA ARG 64 2.778 -6.181 -8.010 490 HB2 ARG 64 2HB ARG 64 1.895 -9.084 -8.120 491 HB3 ARG 64 3HB ARG 64 2.450 -8.127 -9.491 492 HG2 ARG 64 2HG ARG 64 4.192 -8.502 -7.050 493 HG3 ARG 64 3HG ARG 64 4.157 -9.709 -8.332 494 HD2 ARG 64 2HD ARG 64 4.872 -6.777 -8.674 495 HD3 ARG 64 3HD ARG 64 5.990 -8.131 -8.721 496 HE ARG 64 HE ARG 64 4.158 -8.786 -10.665 497 HH11 ARG 64 1HH2 ARG 64 6.024 -5.981 -9.921 498 HH12 ARG 64 2HH2 ARG 64 6.184 -5.492 -11.575 499 HH21 ARG 64 1HH1 ARG 64 4.358 -8.163 -12.817 500 HH22 ARG 64 2HH1 ARG 64 5.242 -6.728 -13.215 501 H GLU 65 H GLU 65 0.175 -7.050 -6.096 502 HA GLU 65 HA GLU 65 -1.872 -6.689 -8.195 503 HB2 GLU 65 2HB GLU 65 -2.072 -7.141 -5.201 504 HB3 GLU 65 3HB GLU 65 -3.462 -6.995 -6.278 505 HG2 GLU 65 2HG GLU 65 -1.260 -9.057 -6.588 506 HG3 GLU 65 3HG GLU 65 -2.826 -9.375 -5.841 507 H VAL 66 H VAL 66 -1.103 -4.486 -8.707 508 HA VAL 66 HA VAL 66 -2.111 -2.456 -6.749 509 HB VAL 66 HB VAL 66 0.170 -2.208 -8.721 510 HG11 VAL 66 1HG1 VAL 66 0.470 0.007 -7.503 511 HG12 VAL 66 2HG1 VAL 66 -1.130 -0.249 -6.810 512 HG13 VAL 66 3HG1 VAL 66 -0.942 -0.083 -8.556 513 HG21 VAL 66 3HG2 VAL 66 1.590 -2.145 -6.779 514 HG22 VAL 66 1HG2 VAL 66 0.552 -3.557 -6.600 515 HG23 VAL 66 2HG2 VAL 66 0.203 -2.085 -5.694 516 H LYS 67 H LYS 67 -3.643 -1.084 -7.498 517 HA LYS 67 HA LYS 67 -4.107 -0.945 -10.456 518 HB2 LYS 67 2HB LYS 67 -6.157 -1.298 -8.254 519 HB3 LYS 67 3HB LYS 67 -6.559 -0.848 -9.911 520 HG2 LYS 67 2HG LYS 67 -5.543 -2.910 -10.753 521 HG3 LYS 67 3HG LYS 67 -5.033 -3.347 -9.126 522 HD2 LYS 67 2HD LYS 67 -7.028 -4.583 -9.469 523 HD3 LYS 67 3HD LYS 67 -7.520 -3.210 -8.480 524 HE2 LYS 67 2HE LYS 67 -8.454 -2.067 -10.370 525 HE3 LYS 67 3HE LYS 67 -7.708 -3.190 -11.505 526 HZ1 LYS 67 3HZ LYS 67 -9.459 -4.501 -11.335 527 HZ2 LYS 67 1HZ LYS 67 -10.206 -3.378 -10.305 528 HZ3 LYS 67 2HZ LYS 67 -9.256 -4.627 -9.653 529 H GLY 68 H GLY 68 -4.676 1.056 -11.225 530 HA2 GLY 68 2HA GLY 68 -4.276 3.320 -9.365 531 HA3 GLY 68 3HA GLY 68 -4.263 3.410 -11.120 532 H LYS 69 H LYS 69 -5.815 4.896 -8.977 533 HA LYS 69 HA LYS 69 -8.600 4.287 -9.881 534 HB2 LYS 69 2HB LYS 69 -7.567 5.895 -7.525 535 HB3 LYS 69 3HB LYS 69 -9.269 5.662 -7.913 536 HG2 LYS 69 2HG LYS 69 -7.427 3.301 -7.521 537 HG3 LYS 69 3HG LYS 69 -8.198 4.085 -6.146 538 HD2 LYS 69 2HD LYS 69 -10.419 3.707 -7.201 539 HD3 LYS 69 3HD LYS 69 -9.632 2.862 -8.529 540 HE2 LYS 69 2HE LYS 69 -8.717 1.209 -6.965 541 HE3 LYS 69 3HE LYS 69 -9.492 2.050 -5.621 542 HZ1 LYS 69 3HZ LYS 69 -10.676 0.059 -6.747 543 HZ2 LYS 69 1HZ LYS 69 -11.104 1.200 -7.926 544 HZ3 LYS 69 2HZ LYS 69 -11.575 1.433 -6.310 545 H PHE 70 H PHE 70 -8.970 5.421 -11.690 546 HA PHE 70 HA PHE 70 -7.917 8.192 -11.941 547 HB2 PHE 70 2HB PHE 70 -9.265 6.403 -13.986 548 HB3 PHE 70 3HB PHE 70 -8.496 7.956 -14.309 549 HD1 PHE 70 HD2 PHE 70 -6.040 8.220 -13.998 550 HD2 PHE 70 HD1 PHE 70 -7.966 4.399 -13.715 551 HE1 PHE 70 HE2 PHE 70 -3.842 7.098 -14.254 552 HE2 PHE 70 HE1 PHE 70 -5.771 3.271 -13.975 553 HZ PHE 70 HZ PHE 70 -3.708 4.622 -14.245 554 H ILE 71 H ILE 71 -9.278 9.946 -12.222 555 HA ILE 71 HA ILE 71 -12.207 9.466 -11.783 556 HB ILE 71 HB ILE 71 -10.463 11.834 -11.045 557 HG12 ILE 71 2HG1 ILE 71 -12.051 9.933 -9.291 558 HG13 ILE 71 3HG1 ILE 71 -10.328 9.746 -9.617 559 HG21 ILE 71 1HG2 ILE 71 -12.598 12.704 -11.677 560 HG22 ILE 71 2HG2 ILE 71 -12.622 12.594 -9.918 561 HG23 ILE 71 3HG2 ILE 71 -13.448 11.375 -10.887 562 HD11 ILE 71 3HD1 ILE 71 -10.063 12.154 -8.768 563 HD12 ILE 71 1HD1 ILE 71 -10.450 10.934 -7.556 564 HD13 ILE 71 2HD1 ILE 71 -11.712 12.006 -8.162 565 H ASN 72 H ASN 72 -13.168 9.603 -13.740 566 HA ASN 72 HA ASN 72 -13.768 10.376 -15.853 567 HB2 ASN 72 2HB ASN 72 -12.875 13.064 -14.775 568 HB3 ASN 72 3HB ASN 72 -14.018 12.768 -16.087 569 HD21 ASN 72 1HD2 ASN 72 -15.013 10.333 -14.362 570 HD22 ASN 72 2HD2 ASN 72 -16.068 11.066 -13.251 571 H GLY 73 H GLY 73 -11.082 9.374 -15.584 572 HA2 GLY 73 2HA GLY 73 -9.280 9.151 -17.087 573 HA3 GLY 73 3HA GLY 73 -9.974 10.453 -18.051 574 H ARG 74 H ARG 74 -9.587 11.122 -14.698 575 HA ARG 74 HA ARG 74 -7.121 12.701 -15.296 576 HB2 ARG 74 2HB ARG 74 -9.246 14.032 -14.963 577 HB3 ARG 74 3HB ARG 74 -9.221 13.471 -13.289 578 HG2 ARG 74 2HG ARG 74 -8.041 15.472 -13.097 579 HG3 ARG 74 3HG ARG 74 -6.720 14.334 -13.334 580 HD2 ARG 74 2HD ARG 74 -6.440 16.312 -14.787 581 HD3 ARG 74 3HD ARG 74 -6.708 14.874 -15.765 582 HE ARG 74 HE ARG 74 -9.175 16.280 -15.149 583 HH11 ARG 74 1HH2 ARG 74 -6.412 16.083 -17.215 584 HH12 ARG 74 2HH2 ARG 74 -7.194 16.872 -18.544 585 HH21 ARG 74 1HH1 ARG 74 -10.195 17.304 -16.867 586 HH22 ARG 74 2HH1 ARG 74 -9.334 17.564 -18.347 587 HA PRO 75 HA PRO 75 -5.770 9.611 -12.157 588 HB2 PRO 75 2HB PRO 75 -3.232 11.138 -12.589 589 HB3 PRO 75 3HB PRO 75 -3.504 9.385 -12.582 590 HG2 PRO 75 2HG PRO 75 -3.123 10.771 -14.854 591 HG3 PRO 75 3HG PRO 75 -4.175 9.351 -14.781 592 HD2 PRO 75 2HD PRO 75 -4.914 12.224 -14.995 593 HD3 PRO 75 3HD PRO 75 -5.809 10.784 -15.543 594 H THR 76 H THR 76 -5.925 9.906 -10.000 595 HA THR 76 HA THR 76 -4.830 12.319 -8.717 596 HB THR 76 HB THR 76 -7.734 11.623 -8.247 597 HG1 THR 76 HG1 THR 76 -8.094 13.522 -9.574 598 HG21 THR 76 3HG2 THR 76 -6.132 14.145 -7.739 599 HG22 THR 76 1HG2 THR 76 -6.470 12.914 -6.522 600 HG23 THR 76 2HG2 THR 76 -7.793 13.835 -7.236 601 H ALA 77 H ALA 77 -6.340 9.124 -8.498 602 HA ALA 77 HA ALA 77 -5.021 8.803 -5.825 603 HB1 ALA 77 3HB ALA 77 -7.046 7.403 -5.189 604 HB2 ALA 77 1HB ALA 77 -7.855 8.093 -6.597 605 HB3 ALA 77 2HB ALA 77 -7.320 9.143 -5.285 606 H ILE 78 H ILE 78 -4.440 6.667 -5.293 607 HA ILE 78 HA ILE 78 -4.532 4.669 -7.508 608 HB ILE 78 HB ILE 78 -2.108 5.470 -5.874 609 HG12 ILE 78 2HG1 ILE 78 -2.555 5.480 -8.873 610 HG13 ILE 78 3HG1 ILE 78 -2.773 6.900 -7.852 611 HG21 ILE 78 1HG2 ILE 78 -0.984 3.729 -7.367 612 HG22 ILE 78 2HG2 ILE 78 -2.602 3.160 -7.766 613 HG23 ILE 78 3HG2 ILE 78 -2.030 3.089 -6.102 614 HD11 ILE 78 3HD1 ILE 78 -0.424 6.710 -7.097 615 HD12 ILE 78 1HD1 ILE 78 -0.528 6.902 -8.847 616 HD13 ILE 78 2HD1 ILE 78 -0.208 5.312 -8.152 617 H GLU 79 H GLU 79 -4.763 2.541 -6.796 618 HA GLU 79 HA GLU 79 -5.069 2.166 -3.828 619 HB2 GLU 79 2HB GLU 79 -7.209 2.109 -5.112 620 HB3 GLU 79 3HB GLU 79 -6.577 0.760 -6.051 621 HG2 GLU 79 2HG GLU 79 -6.667 0.656 -3.031 622 HG3 GLU 79 3HG GLU 79 -8.069 0.209 -4.001 623 H ALA 80 H ALA 80 -4.376 0.178 -2.967 624 HA ALA 80 HA ALA 80 -2.899 -1.655 -4.788 625 HB1 ALA 80 3HB ALA 80 -0.879 -1.492 -3.647 626 HB2 ALA 80 1HB ALA 80 -1.639 -0.902 -2.168 627 HB3 ALA 80 2HB ALA 80 -1.449 0.175 -3.548 628 H THR 81 H THR 81 -2.874 -3.798 -4.086 629 HA THR 81 HA THR 81 -4.390 -4.386 -1.563 630 HB THR 81 HB THR 81 -4.522 -5.871 -4.202 631 HG1 THR 81 HG1 THR 81 -6.738 -4.755 -2.972 632 HG21 THR 81 3HG2 THR 81 -6.411 -7.054 -2.946 633 HG22 THR 81 1HG2 THR 81 -5.732 -6.354 -1.477 634 HG23 THR 81 2HG2 THR 81 -4.768 -7.464 -2.452 635 H VAL 82 H VAL 82 -3.391 -5.773 -0.206 636 HA VAL 82 HA VAL 82 -0.908 -7.151 -1.172 637 HB VAL 82 HB VAL 82 -1.728 -6.106 1.550 638 HG11 VAL 82 1HG1 VAL 82 0.499 -7.986 0.746 639 HG12 VAL 82 2HG1 VAL 82 -0.674 -8.175 2.048 640 HG13 VAL 82 3HG1 VAL 82 0.612 -6.978 2.190 641 HG21 VAL 82 3HG2 VAL 82 0.219 -4.693 1.300 642 HG22 VAL 82 1HG2 VAL 82 -0.736 -4.548 -0.175 643 HG23 VAL 82 2HG2 VAL 82 0.714 -5.553 -0.157 644 H ILE 83 H ILE 83 -0.903 -9.330 -1.138 645 HA ILE 83 HA ILE 83 -3.273 -10.745 -0.054 646 HB ILE 83 HB ILE 83 -0.938 -11.843 -1.641 647 HG12 ILE 83 2HG1 ILE 83 -1.989 -10.127 -2.987 648 HG13 ILE 83 3HG1 ILE 83 -2.537 -11.691 -3.586 649 HG21 ILE 83 1HG2 ILE 83 -2.235 -13.534 -0.441 650 HG22 ILE 83 2HG2 ILE 83 -2.559 -13.647 -2.171 651 HG23 ILE 83 3HG2 ILE 83 -3.734 -12.881 -1.102 652 HD11 ILE 83 3HD1 ILE 83 -4.055 -9.666 -1.950 653 HD12 ILE 83 1HD1 ILE 83 -4.545 -11.360 -1.959 654 HD13 ILE 83 2HD1 ILE 83 -4.526 -10.439 -3.460 655 H LEU 84 H LEU 84 -3.207 -11.846 1.807 656 HA LEU 84 HA LEU 84 -0.553 -12.309 3.119 657 HB2 LEU 84 2HB LEU 84 -3.319 -12.216 4.365 658 HB3 LEU 84 3HB LEU 84 -1.779 -12.290 5.223 659 HG LEU 84 HG LEU 84 -2.642 -10.023 3.396 660 HD11 LEU 84 1HD1 LEU 84 -2.854 -8.723 5.485 661 HD12 LEU 84 2HD1 LEU 84 -2.466 -10.165 6.422 662 HD13 LEU 84 3HD1 LEU 84 -3.957 -10.099 5.482 663 HD21 LEU 84 3HD2 LEU 84 -0.276 -10.052 3.365 664 HD22 LEU 84 1HD2 LEU 84 -0.174 -10.575 5.046 665 HD23 LEU 84 2HD2 LEU 84 -0.646 -8.920 4.660 666 H ASN 85 H ASN 85 -0.985 -14.133 1.248 667 HA ASN 85 HA ASN 85 -2.638 -16.368 1.941 668 HB2 ASN 85 2HB ASN 85 -0.149 -16.082 0.244 669 HB3 ASN 85 3HB ASN 85 -0.981 -17.624 0.432 670 HD21 ASN 85 1HD2 ASN 85 -3.691 -16.346 0.547 671 HD22 ASN 85 2HD2 ASN 85 -4.027 -15.839 -1.035 672 H SER 86 H SER 86 0.745 -15.564 2.662 673 HA SER 86 HA SER 86 1.126 -18.066 4.147 674 HB2 SER 86 2HB SER 86 2.958 -15.663 4.063 675 HB3 SER 86 3HB SER 86 3.380 -17.317 4.490 676 HG SER 86 HG SER 86 2.449 -16.390 1.970 677 H GLN 87 H GLN 87 1.625 -18.142 6.400 678 HA GLN 87 HA GLN 87 -0.068 -16.442 8.028 679 HB2 GLN 87 2HB GLN 87 1.639 -18.853 8.422 680 HB3 GLN 87 3HB GLN 87 1.358 -17.869 9.858 681 HG2 GLN 87 2HG GLN 87 -0.336 -19.682 9.553 682 HG3 GLN 87 3HG GLN 87 -1.053 -18.069 9.568 683 HE21 GLN 87 1HE2 GLN 87 -2.343 -17.538 7.793 684 HE22 GLN 87 2HE2 GLN 87 -2.373 -18.394 6.328 685 HA PRO 88 HA PRO 88 4.205 -15.099 10.056 686 HB2 PRO 88 2HB PRO 88 6.193 -15.115 7.986 687 HB3 PRO 88 3HB PRO 88 6.159 -16.115 9.447 688 HG2 PRO 88 2HG PRO 88 5.351 -16.790 6.682 689 HG3 PRO 88 3HG PRO 88 5.924 -17.849 7.983 690 HD2 PRO 88 2HD PRO 88 3.334 -17.806 7.199 691 HD3 PRO 88 3HD PRO 88 3.795 -18.122 8.882 692 H GLU 89 H GLU 89 2.924 -14.534 6.911 693 HA GLU 89 HA GLU 89 4.055 -11.959 6.372 694 HB2 GLU 89 2HB GLU 89 2.729 -13.465 4.785 695 HB3 GLU 89 3HB GLU 89 1.279 -12.868 5.590 696 HG2 GLU 89 2HG GLU 89 1.597 -11.450 3.701 697 HG3 GLU 89 3HG GLU 89 2.146 -10.518 5.097 698 H TRP 90 H TRP 90 1.234 -13.022 8.222 699 HA TRP 90 HA TRP 90 0.055 -10.469 8.673 700 HB2 TRP 90 2HB TRP 90 -0.019 -13.133 10.056 701 HB3 TRP 90 3HB TRP 90 -0.685 -11.744 10.911 702 HD1 TRP 90 HD1 TRP 90 -1.524 -14.251 8.315 703 HE1 TRP 90 HE1 TRP 90 -3.774 -13.659 7.201 704 HE3 TRP 90 HE3 TRP 90 -2.165 -9.512 10.098 705 HZ2 TRP 90 HZ2 TRP 90 -5.602 -11.458 7.084 706 HZ3 TRP 90 HZ3 TRP 90 -4.164 -8.189 9.471 707 HH2 TRP 90 HH2 TRP 90 -5.882 -9.155 7.968 708 H ASP 91 H ASP 91 2.675 -12.155 10.347 709 HA ASP 91 HA ASP 91 2.879 -10.488 12.630 710 HB2 ASP 91 2HB ASP 91 4.986 -11.962 11.031 711 HB3 ASP 91 3HB ASP 91 5.328 -11.157 12.561 712 H ARG 92 H ARG 92 4.447 -10.172 9.438 713 HA ARG 92 HA ARG 92 5.806 -7.709 10.066 714 HB2 ARG 92 2HB ARG 92 5.013 -9.011 7.451 715 HB3 ARG 92 3HB ARG 92 5.962 -7.526 7.536 716 HG2 ARG 92 2HG ARG 92 7.682 -8.694 8.865 717 HG3 ARG 92 3HG ARG 92 6.729 -10.176 8.798 718 HD2 ARG 92 2HD ARG 92 6.915 -10.203 6.342 719 HD3 ARG 92 3HD ARG 92 7.852 -8.709 6.390 720 HE ARG 92 HE ARG 92 9.025 -10.807 8.028 721 HH11 ARG 92 1HH2 ARG 92 8.683 -9.508 4.846 722 HH12 ARG 92 2HH2 ARG 92 10.178 -10.173 4.276 723 HH21 ARG 92 1HH1 ARG 92 10.970 -11.675 7.296 724 HH22 ARG 92 2HH1 ARG 92 11.471 -11.398 5.660 725 H PHE 93 H PHE 93 2.692 -8.467 8.552 726 HA PHE 93 HA PHE 93 1.990 -5.820 7.762 727 HB2 PHE 93 2HB PHE 93 0.807 -7.872 7.019 728 HB3 PHE 93 3HB PHE 93 0.164 -8.069 8.649 729 HD1 PHE 93 HD2 PHE 93 -1.439 -6.433 9.583 730 HD2 PHE 93 HD1 PHE 93 -0.050 -6.177 5.527 731 HE1 PHE 93 HE2 PHE 93 -3.285 -4.870 9.051 732 HE2 PHE 93 HE1 PHE 93 -1.899 -4.614 4.992 733 HZ PHE 93 HZ PHE 93 -3.519 -3.960 6.754 734 H MET 94 H MET 94 1.207 -7.610 10.757 735 HA MET 94 HA MET 94 -0.259 -5.484 11.994 736 HB2 MET 94 2HB MET 94 1.323 -7.773 13.194 737 HB3 MET 94 3HB MET 94 0.239 -6.736 14.110 738 HG2 MET 94 2HG MET 94 -0.600 -8.367 11.698 739 HG3 MET 94 3HG MET 94 -0.827 -8.884 13.366 740 HE1 MET 94 3HE MET 94 -3.552 -6.835 14.822 741 HE2 MET 94 1HE MET 94 -1.833 -6.548 15.101 742 HE3 MET 94 2HE MET 94 -2.433 -8.191 14.913 743 H ARG 95 H ARG 95 3.168 -6.416 12.157 744 HA ARG 95 HA ARG 95 3.947 -4.409 14.051 745 HB2 ARG 95 2HB ARG 95 5.314 -6.411 13.468 746 HB3 ARG 95 3HB ARG 95 5.609 -5.713 11.876 747 HG2 ARG 95 2HG ARG 95 6.682 -3.755 12.923 748 HG3 ARG 95 3HG ARG 95 6.391 -4.446 14.519 749 HD2 ARG 95 2HD ARG 95 7.736 -6.455 13.816 750 HD3 ARG 95 3HD ARG 95 8.141 -5.600 12.328 751 HE ARG 95 HE ARG 95 8.745 -4.060 14.729 752 HH11 ARG 95 1HH2 ARG 95 9.809 -6.482 12.511 753 HH12 ARG 95 2HH2 ARG 95 11.491 -6.206 12.820 754 HH21 ARG 95 1HH1 ARG 95 10.928 -3.697 15.141 755 HH22 ARG 95 2HH1 ARG 95 12.125 -4.632 14.307 756 H PHE 96 H PHE 96 3.944 -4.461 10.487 757 HA PHE 96 HA PHE 96 5.131 -1.894 10.105 758 HB2 PHE 96 2HB PHE 96 4.895 -3.440 8.243 759 HB3 PHE 96 3HB PHE 96 3.139 -3.426 8.407 760 HD1 PHE 96 HD2 PHE 96 6.083 -1.252 7.656 761 HD2 PHE 96 HD1 PHE 96 1.826 -1.752 7.359 762 HE1 PHE 96 HE2 PHE 96 5.950 0.730 6.169 763 HE2 PHE 96 HE1 PHE 96 1.696 0.231 5.875 764 HZ PHE 96 HZ PHE 96 3.759 1.472 5.282 765 H MET 97 H MET 97 1.708 -2.866 10.313 766 HA MET 97 HA MET 97 0.656 -0.216 10.020 767 HB2 MET 97 2HB MET 97 -0.687 -2.296 9.728 768 HB3 MET 97 3HB MET 97 -0.558 -2.593 11.461 769 HG2 MET 97 2HG MET 97 -2.699 -1.523 10.972 770 HG3 MET 97 3HG MET 97 -1.690 -0.411 11.891 771 HE1 MET 97 3HE MET 97 -4.323 0.328 9.641 772 HE2 MET 97 1HE MET 97 -3.645 1.961 9.673 773 HE3 MET 97 2HE MET 97 -3.648 0.975 11.134 774 H GLU 98 H GLU 98 1.536 -2.152 12.861 775 HA GLU 98 HA GLU 98 0.568 -0.335 14.840 776 HB2 GLU 98 2HB GLU 98 1.315 -2.713 15.224 777 HB3 GLU 98 3HB GLU 98 2.979 -2.156 15.055 778 HG2 GLU 98 2HG GLU 98 2.491 -2.193 17.407 779 HG3 GLU 98 3HG GLU 98 2.511 -0.500 16.917 780 H ARG 99 H ARG 99 3.881 -0.751 13.552 781 HA ARG 99 HA ARG 99 4.937 1.551 14.925 782 HB2 ARG 99 2HB ARG 99 6.336 -0.323 14.078 783 HB3 ARG 99 3HB ARG 99 5.965 0.175 12.428 784 HG2 ARG 99 2HG ARG 99 7.013 2.356 12.815 785 HG3 ARG 99 3HG ARG 99 7.335 1.924 14.495 786 HD2 ARG 99 2HD ARG 99 8.703 -0.011 13.663 787 HD3 ARG 99 3HD ARG 99 8.484 0.594 12.023 788 HE ARG 99 HE ARG 99 10.186 1.794 14.106 789 HH11 ARG 99 1HH2 ARG 99 8.556 2.118 11.075 790 HH12 ARG 99 2HH2 ARG 99 9.576 3.402 10.520 791 HH21 ARG 99 1HH1 ARG 99 11.518 3.459 13.389 792 HH22 ARG 99 2HH1 ARG 99 11.251 4.161 11.828 793 H TYR 100 H TYR 100 3.770 1.039 11.602 794 HA TYR 100 HA TYR 100 4.396 3.640 10.616 795 HB2 TYR 100 2HB TYR 100 3.786 1.771 9.140 796 HB3 TYR 100 3HB TYR 100 2.156 1.765 9.812 797 HD1 TYR 100 HD2 TYR 100 4.569 3.677 7.769 798 HD2 TYR 100 HD1 TYR 100 0.527 3.440 9.202 799 HE1 TYR 100 HE2 TYR 100 3.894 5.430 6.151 800 HE2 TYR 100 HE1 TYR 100 -0.149 5.193 7.583 801 HH TYR 100 HH TYR 100 0.531 6.263 5.653 802 H GLY 101 H GLY 101 1.404 2.363 12.065 803 HA2 GLY 101 2HA GLY 101 -0.120 4.765 11.831 804 HA3 GLY 101 3HA GLY 101 -0.440 3.474 12.988 805 H ALA 102 H ALA 102 2.122 3.628 14.325 806 HA ALA 102 HA ALA 102 1.530 5.652 16.266 807 HB1 ALA 102 3HB ALA 102 4.199 4.302 15.794 808 HB2 ALA 102 1HB ALA 102 2.863 3.547 16.665 809 HB3 ALA 102 2HB ALA 102 3.617 5.009 17.301 810 H GLU 103 H GLU 103 3.866 5.518 13.585 811 HA GLU 103 HA GLU 103 5.063 8.082 14.168 812 HB2 GLU 103 2HB GLU 103 4.952 6.420 11.637 813 HB3 GLU 103 3HB GLU 103 5.898 7.901 11.793 814 HG2 GLU 103 2HG GLU 103 7.166 6.926 13.649 815 HG3 GLU 103 3HG GLU 103 6.187 5.462 13.571 816 H ASN 104 H ASN 104 2.488 7.021 11.951 817 HA ASN 104 HA ASN 104 1.687 9.893 11.628 818 HB2 ASN 104 2HB ASN 104 1.472 7.612 9.640 819 HB3 ASN 104 3HB ASN 104 0.781 9.220 9.408 820 HD21 ASN 104 1HD2 ASN 104 3.216 7.625 8.158 821 HD22 ASN 104 2HD2 ASN 104 4.451 8.792 8.154 822 H GLY 105 H GLY 105 -0.286 10.352 12.377 823 HA2 GLY 105 2HA GLY 105 -2.041 8.155 13.299 824 HA3 GLY 105 3HA GLY 105 -2.240 9.866 13.669 825 H LEU 106 H LEU 106 -1.901 8.193 10.545 826 HA LEU 106 HA LEU 106 -3.223 8.252 8.623 827 HB2 LEU 106 2HB LEU 106 -5.307 8.353 10.806 828 HB3 LEU 106 3HB LEU 106 -5.770 8.426 9.109 829 HG LEU 106 HG LEU 106 -4.543 6.306 8.704 830 HD11 LEU 106 1HD1 LEU 106 -2.874 6.336 10.433 831 HD12 LEU 106 2HD1 LEU 106 -3.939 4.980 10.791 832 HD13 LEU 106 3HD1 LEU 106 -4.097 6.486 11.696 833 HD21 LEU 106 3HD2 LEU 106 -6.135 4.855 9.999 834 HD22 LEU 106 1HD2 LEU 106 -6.927 6.196 9.169 835 HD23 LEU 106 2HD2 LEU 106 -6.629 6.286 10.905 836 H GLY 107 H GLY 107 -2.690 10.897 10.470 837 HA2 GLY 107 2HA GLY 107 -3.931 12.710 8.435 838 HA3 GLY 107 3HA GLY 107 -4.098 13.067 10.154 839 H PHE 108 H PHE 108 -1.328 11.936 10.621 840 HA PHE 108 HA PHE 108 0.109 14.451 10.043 841 HB2 PHE 108 2HB PHE 108 0.681 12.039 11.773 842 HB3 PHE 108 3HB PHE 108 1.888 13.296 11.494 843 HD1 PHE 108 HD2 PHE 108 1.484 15.619 12.242 844 HD2 PHE 108 HD1 PHE 108 -1.272 12.451 13.143 845 HE1 PHE 108 HE2 PHE 108 0.411 17.043 13.964 846 HE2 PHE 108 HE1 PHE 108 -2.346 13.876 14.866 847 HZ PHE 108 HZ PHE 108 -1.504 16.172 15.277 848 H SER 109 H SER 109 1.835 14.626 8.674 849 HA SER 109 HA SER 109 2.226 12.540 6.693 850 HB2 SER 109 2HB SER 109 3.462 15.246 7.171 851 HB3 SER 109 3HB SER 109 4.059 14.172 5.907 852 HG SER 109 HG SER 109 1.471 15.278 6.222 853 H LYS 110 H LYS 110 4.044 11.276 6.374 854 HA LYS 110 HA LYS 110 5.496 10.419 8.687 855 HB2 LYS 110 2HB LYS 110 4.985 9.174 6.455 856 HB3 LYS 110 3HB LYS 110 6.427 9.984 5.847 857 HG2 LYS 110 2HG LYS 110 7.790 8.985 7.584 858 HG3 LYS 110 3HG LYS 110 6.370 8.292 8.361 859 HD2 LYS 110 2HD LYS 110 7.351 6.519 7.089 860 HD3 LYS 110 3HD LYS 110 5.931 7.043 6.185 861 HE2 LYS 110 2HE LYS 110 7.246 8.218 4.590 862 HE3 LYS 110 3HE LYS 110 8.682 8.167 5.615 863 HZ1 LYS 110 3HZ LYS 110 8.630 5.720 5.386 864 HZ2 LYS 110 1HZ LYS 110 8.902 6.529 3.920 865 HZ3 LYS 110 2HZ LYS 110 7.369 5.880 4.258 866 H SER 111 H SER 111 6.241 12.658 6.064 867 HA SER 111 HA SER 111 9.020 12.981 6.577 868 HB2 SER 111 2HB SER 111 8.687 15.228 5.459 869 HB3 SER 111 3HB SER 111 8.108 13.846 4.532 870 HG SER 111 HG SER 111 6.743 15.958 5.487 871 H GLU 112 H GLU 112 9.931 15.145 7.363 872 HA GLU 112 HA GLU 112 10.292 16.665 9.098 873 HB2 GLU 112 2HB GLU 112 7.996 17.493 8.378 874 HB3 GLU 112 3HB GLU 112 7.318 16.485 9.655 875 HG2 GLU 112 2HG GLU 112 8.634 17.649 11.341 876 HG3 GLU 112 3HG GLU 112 9.402 18.631 10.091 877 H LEU 113 H LEU 113 7.679 14.513 10.261 878 HA LEU 113 HA LEU 113 8.715 14.290 12.911 879 HB2 LEU 113 2HB LEU 113 6.909 12.478 11.290 880 HB3 LEU 113 3HB LEU 113 7.228 12.243 13.006 881 HG LEU 113 HG LEU 113 6.119 14.812 11.835 882 HD11 LEU 113 1HD1 LEU 113 4.547 12.948 11.466 883 HD12 LEU 113 2HD1 LEU 113 3.929 14.059 12.687 884 HD13 LEU 113 3HD1 LEU 113 4.644 12.523 13.176 885 HD21 LEU 113 3HD2 LEU 113 6.651 13.792 14.625 886 HD22 LEU 113 1HD2 LEU 113 5.345 14.944 14.356 887 HD23 LEU 113 2HD2 LEU 113 6.993 15.379 13.938 888 H GLU 114 H GLU 114 9.133 12.255 10.025 889 HA GLU 114 HA GLU 114 11.043 10.537 11.516 890 HB2 GLU 114 2HB GLU 114 9.845 10.330 8.740 891 HB3 GLU 114 3HB GLU 114 11.002 9.177 9.407 892 HG2 GLU 114 2HG GLU 114 8.339 9.865 10.689 893 HG3 GLU 114 3HG GLU 114 8.621 8.443 9.686 894 H HIS 115 H HIS 115 13.147 10.981 11.455 895 HA HIS 115 HA HIS 115 14.221 13.062 9.755 896 HB2 HIS 115 2HB HIS 115 15.545 11.063 11.604 897 HB3 HIS 115 3HB HIS 115 16.396 12.386 10.804 898 HD1 HIS 115 HD1 HIS 115 15.245 14.855 11.284 899 HD2 HIS 115 HD2 HIS 115 14.432 11.820 14.022 900 HE1 HIS 115 HE1 HIS 115 14.409 15.993 13.385 901 H HIS 116 H HIS 116 15.486 12.869 7.935 902 HA HIS 116 HA HIS 116 15.342 10.322 6.495 903 HB2 HIS 116 2HB HIS 116 16.276 11.556 4.627 904 HB3 HIS 116 3HB HIS 116 15.014 12.535 5.372 905 HD1 HIS 116 HD1 HIS 116 17.488 13.695 3.735 906 HD2 HIS 116 HD2 HIS 116 17.200 13.529 7.892 907 HE1 HIS 116 HE1 HIS 116 19.062 15.462 4.635 908 H HIS 117 H HIS 117 17.236 9.244 5.630 909 HA HIS 117 HA HIS 117 19.806 9.839 7.026 910 HB2 HIS 117 2HB HIS 117 18.444 7.130 6.873 911 HB3 HIS 117 3HB HIS 117 20.085 7.403 7.463 912 HD1 HIS 117 HD1 HIS 117 20.218 9.206 9.544 913 HD2 HIS 117 HD2 HIS 117 16.519 7.411 8.850 914 HE1 HIS 117 HE1 HIS 117 18.858 9.525 11.657 915 H HIS 118 H HIS 118 21.641 9.216 5.845 916 HA HIS 118 HA HIS 118 21.393 9.221 2.986 917 HB2 HIS 118 2HB HIS 118 23.701 8.515 4.818 918 HB3 HIS 118 3HB HIS 118 23.854 8.672 3.069 919 HD1 HIS 118 HD1 HIS 118 23.401 11.081 2.056 920 HD2 HIS 118 HD2 HIS 118 23.609 10.948 6.217 921 HE1 HIS 118 HE1 HIS 118 23.657 13.475 2.838 922 H HIS 119 H HIS 119 22.024 6.634 5.341 923 HA HIS 119 HA HIS 119 22.441 4.595 3.353 924 HB2 HIS 119 2HB HIS 119 23.137 4.554 5.820 925 HB3 HIS 119 3HB HIS 119 21.466 4.115 6.173 926 HD1 HIS 119 HD1 HIS 119 21.553 1.652 6.653 927 HD2 HIS 119 HD2 HIS 119 23.762 2.648 3.261 928 HE1 HIS 119 HE1 HIS 119 22.326 -0.535 5.633 929 H HIS 120 H HIS 120 20.993 3.452 2.212 930 HA HIS 120 HA HIS 120 18.914 2.915 1.271 931 HB2 HIS 120 2HB HIS 120 18.462 2.351 4.214 932 HB3 HIS 120 3HB HIS 120 17.368 1.828 2.932 933 HD1 HIS 120 HD1 HIS 120 19.169 0.812 0.789 934 HD2 HIS 120 HD2 HIS 120 19.985 0.121 4.818 935 HE1 HIS 120 HE1 HIS 120 20.707 -1.199 0.872 Start of MODEL 2 1 H1 MET 1 1H MET 1 2.725 1.835 6.958 2 H2 MET 1 2H MET 1 2.109 0.486 7.788 3 H3 MET 1 3H MET 1 1.645 0.783 6.180 4 HA MET 1 HA MET 1 3.695 -0.830 7.028 5 HB2 MET 1 2HB MET 1 3.144 0.411 4.315 6 HB3 MET 1 3HB MET 1 4.147 -1.013 4.592 7 HG2 MET 1 2HG MET 1 1.214 -0.784 5.334 8 HG3 MET 1 3HG MET 1 1.830 -1.615 3.909 9 HE1 MET 1 3HE MET 1 0.239 -2.467 7.023 10 HE2 MET 1 1HE MET 1 1.508 -1.418 7.669 11 HE3 MET 1 2HE MET 1 1.447 -3.119 8.125 12 H ALA 2 H ALA 2 4.821 0.901 8.407 13 HA ALA 2 HA ALA 2 6.465 2.583 8.710 14 HB1 ALA 2 3HB ALA 2 8.652 1.722 7.912 15 HB2 ALA 2 1HB ALA 2 7.797 0.505 6.961 16 HB3 ALA 2 2HB ALA 2 7.689 0.487 8.722 17 H GLU 3 H GLU 3 7.745 1.713 5.549 18 HA GLU 3 HA GLU 3 7.019 4.444 4.543 19 HB2 GLU 3 2HB GLU 3 9.442 4.199 5.180 20 HB3 GLU 3 3HB GLU 3 9.577 2.916 3.979 21 HG2 GLU 3 2HG GLU 3 10.304 4.952 2.937 22 HG3 GLU 3 3HG GLU 3 8.731 4.561 2.256 23 H ILE 4 H ILE 4 6.087 4.466 2.576 24 HA ILE 4 HA ILE 4 5.893 1.878 1.071 25 HB ILE 4 HB ILE 4 4.075 4.309 1.081 26 HG12 ILE 4 2HG1 ILE 4 3.538 1.499 2.068 27 HG13 ILE 4 3HG1 ILE 4 4.082 2.796 3.129 28 HG21 ILE 4 1HG2 ILE 4 3.985 3.319 -1.094 29 HG22 ILE 4 2HG2 ILE 4 2.585 2.697 -0.220 30 HG23 ILE 4 3HG2 ILE 4 4.015 1.687 -0.426 31 HD11 ILE 4 3HD1 ILE 4 1.562 2.804 1.447 32 HD12 ILE 4 1HD1 ILE 4 2.114 4.145 2.452 33 HD13 ILE 4 2HD1 ILE 4 1.640 2.620 3.200 34 H GLN 5 H GLN 5 6.857 1.827 -0.910 35 HA GLN 5 HA GLN 5 7.301 4.389 -2.375 36 HB2 GLN 5 2HB GLN 5 9.422 2.347 -1.663 37 HB3 GLN 5 3HB GLN 5 9.634 3.571 -2.917 38 HG2 GLN 5 2HG GLN 5 9.254 5.351 -1.283 39 HG3 GLN 5 3HG GLN 5 8.961 4.156 -0.024 40 HE21 GLN 5 1HE2 GLN 5 10.945 5.686 0.760 41 HE22 GLN 5 2HE2 GLN 5 12.480 5.028 0.454 42 H PHE 6 H PHE 6 7.470 4.129 -4.624 43 HA PHE 6 HA PHE 6 6.534 1.475 -5.655 44 HB2 PHE 6 2HB PHE 6 6.342 4.254 -6.856 45 HB3 PHE 6 3HB PHE 6 5.721 2.781 -7.596 46 HD1 PHE 6 HD2 PHE 6 3.818 1.566 -6.579 47 HD2 PHE 6 HD1 PHE 6 5.220 5.298 -4.979 48 HE1 PHE 6 HE2 PHE 6 1.721 1.797 -5.278 49 HE2 PHE 6 HE1 PHE 6 3.120 5.528 -3.678 50 HZ PHE 6 HZ PHE 6 1.371 3.776 -3.828 51 H SER 7 H SER 7 9.233 3.472 -5.408 52 HA SER 7 HA SER 7 10.694 1.843 -7.367 53 HB2 SER 7 2HB SER 7 9.714 3.813 -8.655 54 HB3 SER 7 3HB SER 7 10.733 4.859 -7.670 55 HG SER 7 HG SER 7 11.872 2.627 -8.928 56 H LYS 8 H LYS 8 11.639 1.249 -5.287 57 HA LYS 8 HA LYS 8 13.172 1.457 -3.519 58 HB2 LYS 8 2HB LYS 8 14.559 2.896 -5.790 59 HB3 LYS 8 3HB LYS 8 15.359 2.410 -4.295 60 HG2 LYS 8 2HG LYS 8 14.771 0.066 -4.713 61 HG3 LYS 8 3HG LYS 8 13.920 0.528 -6.186 62 HD2 LYS 8 2HD LYS 8 16.044 1.440 -7.100 63 HD3 LYS 8 3HD LYS 8 16.882 0.886 -5.650 64 HE2 LYS 8 2HE LYS 8 15.360 -0.893 -7.577 65 HE3 LYS 8 3HE LYS 8 17.116 -0.739 -7.505 66 HZ1 LYS 8 3HZ LYS 8 17.110 -1.585 -5.282 67 HZ2 LYS 8 1HZ LYS 8 16.248 -2.667 -6.263 68 HZ3 LYS 8 2HZ LYS 8 15.412 -1.607 -5.232 69 H GLY 9 H GLY 9 14.955 3.350 -2.740 70 HA2 GLY 9 2HA GLY 9 13.317 5.239 -1.353 71 HA3 GLY 9 3HA GLY 9 15.079 5.271 -1.414 72 H VAL 10 H VAL 10 12.141 6.397 -2.970 73 HA VAL 10 HA VAL 10 13.554 7.927 -5.018 74 HB VAL 10 HB VAL 10 10.689 8.100 -4.029 75 HG11 VAL 10 1HG1 VAL 10 12.147 9.329 -6.373 76 HG12 VAL 10 2HG1 VAL 10 11.145 10.135 -5.169 77 HG13 VAL 10 3HG1 VAL 10 10.399 9.102 -6.385 78 HG21 VAL 10 3HG2 VAL 10 10.303 6.856 -6.237 79 HG22 VAL 10 1HG2 VAL 10 11.022 5.922 -4.924 80 HG23 VAL 10 2HG2 VAL 10 12.036 6.532 -6.232 81 H ALA 11 H ALA 11 11.124 9.562 -3.123 82 HA ALA 11 HA ALA 11 12.698 10.966 -1.257 83 HB1 ALA 11 3HB ALA 11 12.697 12.123 -4.041 84 HB2 ALA 11 1HB ALA 11 14.024 12.018 -2.886 85 HB3 ALA 11 2HB ALA 11 12.743 13.205 -2.648 86 H GLU 12 H GLU 12 10.220 10.039 -0.982 87 HA GLU 12 HA GLU 12 8.642 12.428 -0.486 88 HB2 GLU 12 2HB GLU 12 6.662 11.546 -1.865 89 HB3 GLU 12 3HB GLU 12 7.982 12.282 -2.770 90 HG2 GLU 12 2HG GLU 12 8.925 10.012 -3.185 91 HG3 GLU 12 3HG GLU 12 7.534 9.311 -2.356 92 H THR 13 H THR 13 7.712 12.007 1.451 93 HA THR 13 HA THR 13 7.340 9.182 2.290 94 HB THR 13 HB THR 13 6.957 11.729 3.897 95 HG1 THR 13 HG1 THR 13 9.156 10.766 2.892 96 HG21 THR 13 3HG2 THR 13 7.309 10.176 5.809 97 HG22 THR 13 1HG2 THR 13 7.350 8.826 4.675 98 HG23 THR 13 2HG2 THR 13 5.872 9.769 4.871 99 H VAL 14 H VAL 14 5.486 8.674 1.025 100 HA VAL 14 HA VAL 14 3.070 10.294 1.172 101 HB VAL 14 HB VAL 14 3.374 7.444 0.201 102 HG11 VAL 14 1HG1 VAL 14 1.052 8.314 0.544 103 HG12 VAL 14 2HG1 VAL 14 1.415 7.975 -1.146 104 HG13 VAL 14 3HG1 VAL 14 1.422 9.637 -0.562 105 HG21 VAL 14 3HG2 VAL 14 3.886 10.101 -1.157 106 HG22 VAL 14 1HG2 VAL 14 3.608 8.607 -2.055 107 HG23 VAL 14 2HG2 VAL 14 5.002 8.746 -0.984 108 H VAL 15 H VAL 15 1.338 10.028 2.529 109 HA VAL 15 HA VAL 15 1.444 7.761 4.499 110 HB VAL 15 HB VAL 15 0.062 9.436 5.927 111 HG11 VAL 15 1HG1 VAL 15 3.002 9.797 5.288 112 HG12 VAL 15 2HG1 VAL 15 2.298 8.811 6.570 113 HG13 VAL 15 3HG1 VAL 15 2.208 10.569 6.658 114 HG21 VAL 15 3HG2 VAL 15 1.420 11.347 3.993 115 HG22 VAL 15 1HG2 VAL 15 0.480 11.795 5.416 116 HG23 VAL 15 2HG2 VAL 15 -0.315 11.032 4.040 117 HA PRO 16 HA PRO 16 -2.534 7.411 2.157 118 HB2 PRO 16 2HB PRO 16 -2.375 4.788 1.503 119 HB3 PRO 16 3HB PRO 16 -1.522 6.043 0.578 120 HG2 PRO 16 2HG PRO 16 -0.462 4.146 2.621 121 HG3 PRO 16 3HG PRO 16 0.282 4.723 1.121 122 HD2 PRO 16 2HD PRO 16 0.857 5.727 3.658 123 HD3 PRO 16 3HD PRO 16 1.170 6.594 2.138 124 H GLU 17 H GLU 17 -4.506 6.248 2.755 125 HA GLU 17 HA GLU 17 -4.607 5.682 5.615 126 HB2 GLU 17 2HB GLU 17 -6.692 5.566 3.426 127 HB3 GLU 17 3HB GLU 17 -7.040 5.235 5.124 128 HG2 GLU 17 2HG GLU 17 -6.277 7.460 5.759 129 HG3 GLU 17 3HG GLU 17 -5.789 7.799 4.100 130 H VAL 18 H VAL 18 -5.494 3.667 6.499 131 HA VAL 18 HA VAL 18 -4.598 1.281 4.916 132 HB VAL 18 HB VAL 18 -4.867 1.769 7.898 133 HG11 VAL 18 1HG1 VAL 18 -3.796 -0.560 8.011 134 HG12 VAL 18 2HG1 VAL 18 -4.297 -0.752 6.330 135 HG13 VAL 18 3HG1 VAL 18 -5.507 -0.502 7.589 136 HG21 VAL 18 3HG2 VAL 18 -2.544 1.387 6.001 137 HG22 VAL 18 1HG2 VAL 18 -2.378 1.192 7.744 138 HG23 VAL 18 2HG2 VAL 18 -2.859 2.749 7.073 139 H ARG 19 H ARG 19 -6.126 -0.131 4.295 140 HA ARG 19 HA ARG 19 -8.715 -0.236 5.779 141 HB2 ARG 19 2HB ARG 19 -8.890 1.167 3.659 142 HB3 ARG 19 3HB ARG 19 -8.495 -0.293 2.756 143 HG2 ARG 19 2HG ARG 19 -10.830 -0.352 2.729 144 HG3 ARG 19 3HG ARG 19 -10.474 -1.359 4.130 145 HD2 ARG 19 2HD ARG 19 -10.851 0.557 5.629 146 HD3 ARG 19 3HD ARG 19 -11.131 1.604 4.239 147 HE ARG 19 HE ARG 19 -12.905 -0.688 4.233 148 HH11 ARG 19 1HH2 ARG 19 -12.273 2.440 5.547 149 HH12 ARG 19 2HH2 ARG 19 -13.933 2.759 5.927 150 HH21 ARG 19 1HH1 ARG 19 -15.067 -0.292 4.726 151 HH22 ARG 19 2HH1 ARG 19 -15.516 1.210 5.460 152 H LEU 20 H LEU 20 -9.398 -2.302 6.121 153 HA LEU 20 HA LEU 20 -7.722 -4.500 4.985 154 HB2 LEU 20 2HB LEU 20 -9.640 -4.473 7.336 155 HB3 LEU 20 3HB LEU 20 -8.631 -5.836 6.850 156 HG LEU 20 HG LEU 20 -7.602 -3.110 7.700 157 HD11 LEU 20 1HD1 LEU 20 -6.901 -4.202 9.747 158 HD12 LEU 20 2HD1 LEU 20 -7.454 -5.767 9.152 159 HD13 LEU 20 3HD1 LEU 20 -8.625 -4.501 9.523 160 HD21 LEU 20 3HD2 LEU 20 -5.928 -3.945 6.285 161 HD22 LEU 20 1HD2 LEU 20 -6.277 -5.626 6.693 162 HD23 LEU 20 2HD2 LEU 20 -5.422 -4.594 7.839 163 H SER 21 H SER 21 -8.590 -6.021 3.674 164 HA SER 21 HA SER 21 -11.567 -6.073 3.307 165 HB2 SER 21 2HB SER 21 -10.591 -4.795 1.451 166 HB3 SER 21 3HB SER 21 -9.443 -6.093 1.137 167 HG SER 21 HG SER 21 -11.585 -7.371 1.063 168 H LYS 22 H LYS 22 -12.399 -8.126 3.063 169 HA LYS 22 HA LYS 22 -10.457 -10.401 2.840 170 HB2 LYS 22 2HB LYS 22 -11.478 -9.905 5.206 171 HB3 LYS 22 3HB LYS 22 -12.957 -10.584 4.531 172 HG2 LYS 22 2HG LYS 22 -11.815 -12.668 4.001 173 HG3 LYS 22 3HG LYS 22 -10.271 -11.992 4.510 174 HD2 LYS 22 2HD LYS 22 -11.230 -11.670 6.804 175 HD3 LYS 22 3HD LYS 22 -12.674 -12.532 6.267 176 HE2 LYS 22 2HE LYS 22 -9.846 -13.624 6.297 177 HE3 LYS 22 3HE LYS 22 -11.156 -14.098 7.377 178 HZ1 LYS 22 3HZ LYS 22 -11.060 -14.472 4.433 179 HZ2 LYS 22 1HZ LYS 22 -12.412 -14.814 5.398 180 HZ3 LYS 22 2HZ LYS 22 -10.972 -15.688 5.617 181 H SER 23 H SER 23 -10.998 -11.789 1.245 182 HA SER 23 HA SER 23 -13.286 -11.253 -0.429 183 HB2 SER 23 2HB SER 23 -11.176 -13.404 -0.354 184 HB3 SER 23 3HB SER 23 -12.514 -13.486 -1.497 185 HG SER 23 HG SER 23 -11.836 -11.163 -1.906 186 H LYS 24 H LYS 24 -15.268 -12.193 -0.440 187 HA LYS 24 HA LYS 24 -17.122 -13.311 0.475 188 HB2 LYS 24 2HB LYS 24 -15.164 -15.626 0.426 189 HB3 LYS 24 3HB LYS 24 -16.922 -15.726 0.333 190 HG2 LYS 24 2HG LYS 24 -15.169 -14.322 -1.708 191 HG3 LYS 24 3HG LYS 24 -15.831 -15.944 -1.904 192 HD2 LYS 24 2HD LYS 24 -18.139 -14.832 -1.483 193 HD3 LYS 24 3HD LYS 24 -17.307 -13.311 -1.805 194 HE2 LYS 24 2HE LYS 24 -17.312 -15.679 -3.695 195 HE3 LYS 24 3HE LYS 24 -18.370 -14.276 -3.846 196 HZ1 LYS 24 3HZ LYS 24 -15.427 -14.392 -4.088 197 HZ2 LYS 24 1HZ LYS 24 -16.233 -12.929 -3.789 198 HZ3 LYS 24 2HZ LYS 24 -16.560 -13.802 -5.209 199 H ASN 25 H ASN 25 -14.818 -12.360 2.387 200 HA ASN 25 HA ASN 25 -14.400 -12.427 4.689 201 HB2 ASN 25 2HB ASN 25 -17.321 -13.219 4.579 202 HB3 ASN 25 3HB ASN 25 -16.469 -12.847 6.077 203 HD21 ASN 25 1HD2 ASN 25 -14.858 -10.814 4.197 204 HD22 ASN 25 2HD2 ASN 25 -15.876 -9.459 4.199 205 H GLY 26 H GLY 26 -13.747 -14.820 3.173 206 HA2 GLY 26 2HA GLY 26 -12.946 -16.578 5.166 207 HA3 GLY 26 3HA GLY 26 -14.551 -17.150 4.704 208 H GLN 27 H GLN 27 -11.721 -15.866 2.918 209 HA GLN 27 HA GLN 27 -11.521 -18.403 1.409 210 HB2 GLN 27 2HB GLN 27 -13.194 -17.058 0.154 211 HB3 GLN 27 3HB GLN 27 -12.018 -15.749 0.022 212 HG2 GLN 27 2HG GLN 27 -10.502 -17.167 -1.244 213 HG3 GLN 27 3HG GLN 27 -11.556 -18.561 -1.009 214 HE21 GLN 27 1HE2 GLN 27 -10.899 -17.675 -3.639 215 HE22 GLN 27 2HE2 GLN 27 -12.296 -17.042 -4.364 216 H SER 28 H SER 28 -10.384 -14.992 1.338 217 HA SER 28 HA SER 28 -7.619 -15.959 1.740 218 HB2 SER 28 2HB SER 28 -6.751 -14.878 -0.257 219 HB3 SER 28 3HB SER 28 -7.999 -16.024 -0.732 220 HG SER 28 HG SER 28 -7.901 -13.335 -1.038 221 H GLY 29 H GLY 29 -6.816 -14.652 3.269 222 HA2 GLY 29 2HA GLY 29 -8.043 -12.103 3.903 223 HA3 GLY 29 3HA GLY 29 -6.619 -12.785 4.679 224 H MET 30 H MET 30 -7.299 -10.046 3.447 225 HA MET 30 HA MET 30 -4.630 -9.579 2.400 226 HB2 MET 30 2HB MET 30 -5.508 -8.566 0.231 227 HB3 MET 30 3HB MET 30 -5.519 -10.325 0.308 228 HG2 MET 30 2HG MET 30 -7.880 -10.342 0.843 229 HG3 MET 30 3HG MET 30 -7.906 -8.580 0.938 230 HE1 MET 30 3HE MET 30 -9.934 -9.344 -2.290 231 HE2 MET 30 1HE MET 30 -9.884 -8.423 -0.778 232 HE3 MET 30 2HE MET 30 -9.901 -10.185 -0.742 233 H ALA 31 H ALA 31 -4.362 -7.197 1.901 234 HA ALA 31 HA ALA 31 -6.397 -5.517 3.333 235 HB1 ALA 31 3HB ALA 31 -3.382 -5.247 3.541 236 HB2 ALA 31 1HB ALA 31 -4.408 -5.972 4.780 237 HB3 ALA 31 2HB ALA 31 -4.585 -4.265 4.375 238 H LYS 32 H LYS 32 -6.812 -3.568 2.365 239 HA LYS 32 HA LYS 32 -5.435 -3.037 -0.236 240 HB2 LYS 32 2HB LYS 32 -8.158 -2.225 0.807 241 HB3 LYS 32 3HB LYS 32 -7.479 -1.677 -0.728 242 HG2 LYS 32 2HG LYS 32 -7.269 -4.028 -1.469 243 HG3 LYS 32 3HG LYS 32 -7.969 -4.566 0.058 244 HD2 LYS 32 2HD LYS 32 -10.040 -3.339 -0.445 245 HD3 LYS 32 3HD LYS 32 -9.344 -2.770 -1.962 246 HE2 LYS 32 2HE LYS 32 -9.117 -5.105 -2.734 247 HE3 LYS 32 3HE LYS 32 -9.820 -5.673 -1.220 248 HZ1 LYS 32 3HZ LYS 32 -11.171 -4.938 -3.507 249 HZ2 LYS 32 1HZ LYS 32 -11.451 -3.680 -2.405 250 HZ3 LYS 32 2HZ LYS 32 -11.844 -5.278 -1.984 251 H PHE 33 H PHE 33 -4.606 -0.987 -0.645 252 HA PHE 33 HA PHE 33 -4.464 0.876 1.710 253 HB2 PHE 33 2HB PHE 33 -2.437 0.146 -0.415 254 HB3 PHE 33 3HB PHE 33 -2.286 1.610 0.560 255 HD1 PHE 33 HD1 PHE 33 -1.877 1.493 2.963 256 HD2 PHE 33 HD2 PHE 33 -2.227 -2.075 0.597 257 HE1 PHE 33 HE1 PHE 33 -0.937 0.162 4.831 258 HE2 PHE 33 HE2 PHE 33 -1.287 -3.406 2.468 259 HZ PHE 33 HZ PHE 33 -0.644 -2.285 4.586 260 H TYR 34 H TYR 34 -5.157 2.929 1.351 261 HA TYR 34 HA TYR 34 -6.054 3.601 -1.426 262 HB2 TYR 34 2HB TYR 34 -7.705 3.630 0.488 263 HB3 TYR 34 3HB TYR 34 -6.793 4.982 1.163 264 HD1 TYR 34 HD1 TYR 34 -8.485 3.845 -1.968 265 HD2 TYR 34 HD2 TYR 34 -7.216 7.180 0.421 266 HE1 TYR 34 HE1 TYR 34 -9.656 5.394 -3.510 267 HE2 TYR 34 HE2 TYR 34 -8.387 8.730 -1.121 268 HH TYR 34 HH TYR 34 -9.528 8.922 -3.013 269 H PHE 35 H PHE 35 -4.920 5.059 -2.538 270 HA PHE 35 HA PHE 35 -3.012 6.861 -1.083 271 HB2 PHE 35 2HB PHE 35 -3.049 5.843 -3.943 272 HB3 PHE 35 3HB PHE 35 -1.890 7.017 -3.318 273 HD1 PHE 35 HD1 PHE 35 -3.099 3.528 -3.024 274 HD2 PHE 35 HD2 PHE 35 -0.077 6.353 -1.895 275 HE1 PHE 35 HE1 PHE 35 -1.711 1.678 -2.134 276 HE2 PHE 35 HE2 PHE 35 1.316 4.505 -1.001 277 HZ PHE 35 HZ PHE 35 0.496 2.167 -1.122 278 H LEU 36 H LEU 36 -3.866 8.870 -0.870 279 HA LEU 36 HA LEU 36 -5.843 9.837 -2.874 280 HB2 LEU 36 2HB LEU 36 -6.469 10.016 -0.517 281 HB3 LEU 36 3HB LEU 36 -4.995 10.917 -0.166 282 HG LEU 36 HG LEU 36 -5.738 12.750 -1.612 283 HD11 LEU 36 1HD1 LEU 36 -6.992 11.804 -3.353 284 HD12 LEU 36 2HD1 LEU 36 -8.247 12.555 -2.371 285 HD13 LEU 36 3HD1 LEU 36 -7.961 10.817 -2.258 286 HD21 LEU 36 3HD2 LEU 36 -6.438 12.889 0.686 287 HD22 LEU 36 1HD2 LEU 36 -7.779 11.777 0.404 288 HD23 LEU 36 2HD2 LEU 36 -7.805 13.392 -0.306 289 H GLU 37 H GLU 37 -5.134 11.124 -4.482 290 HA GLU 37 HA GLU 37 -3.604 12.383 -5.771 291 HB2 GLU 37 2HB GLU 37 -3.988 13.927 -3.201 292 HB3 GLU 37 3HB GLU 37 -3.085 14.587 -4.567 293 HG2 GLU 37 2HG GLU 37 -5.056 14.207 -6.031 294 HG3 GLU 37 3HG GLU 37 -5.961 13.620 -4.636 295 HA PRO 38 HA PRO 38 0.077 10.740 -3.293 296 HB2 PRO 38 2HB PRO 38 0.902 8.940 -5.259 297 HB3 PRO 38 3HB PRO 38 -0.102 8.526 -3.860 298 HG2 PRO 38 2HG PRO 38 -0.898 8.996 -6.685 299 HG3 PRO 38 3HG PRO 38 -1.593 7.900 -5.478 300 HD2 PRO 38 2HD PRO 38 -2.753 10.288 -6.200 301 HD3 PRO 38 3HD PRO 38 -2.994 9.526 -4.614 302 H THR 39 H THR 39 2.203 11.435 -3.615 303 HA THR 39 HA THR 39 2.599 13.362 -5.787 304 HB THR 39 HB THR 39 4.891 13.586 -4.655 305 HG1 THR 39 HG1 THR 39 3.573 11.762 -2.943 306 HG21 THR 39 3HG2 THR 39 3.800 14.627 -2.568 307 HG22 THR 39 1HG2 THR 39 2.267 14.065 -3.235 308 HG23 THR 39 2HG2 THR 39 3.250 15.220 -4.134 309 H ILE 40 H ILE 40 2.346 10.435 -6.351 310 HA ILE 40 HA ILE 40 5.045 9.836 -7.490 311 HB ILE 40 HB ILE 40 3.711 8.164 -6.035 312 HG12 ILE 40 2HG1 ILE 40 4.356 6.245 -7.540 313 HG13 ILE 40 3HG1 ILE 40 4.682 7.415 -8.813 314 HG21 ILE 40 1HG2 ILE 40 1.578 8.721 -7.487 315 HG22 ILE 40 2HG2 ILE 40 1.839 7.075 -6.912 316 HG23 ILE 40 3HG2 ILE 40 2.238 7.502 -8.576 317 HD11 ILE 40 3HD1 ILE 40 6.018 7.941 -6.194 318 HD12 ILE 40 1HD1 ILE 40 6.630 8.137 -7.836 319 HD13 ILE 40 2HD1 ILE 40 6.586 6.543 -7.098 320 H LEU 41 H LEU 41 1.813 10.765 -8.310 321 HA LEU 41 HA LEU 41 1.730 9.878 -11.028 322 HB2 LEU 41 2HB LEU 41 0.407 12.220 -9.627 323 HB3 LEU 41 3HB LEU 41 0.026 11.729 -11.275 324 HG LEU 41 HG LEU 41 -0.172 9.884 -8.874 325 HD11 LEU 41 1HD1 LEU 41 -2.583 10.265 -8.950 326 HD12 LEU 41 2HD1 LEU 41 -2.393 11.371 -10.311 327 HD13 LEU 41 3HD1 LEU 41 -1.750 11.804 -8.727 328 HD21 LEU 41 3HD2 LEU 41 -1.799 8.759 -10.657 329 HD22 LEU 41 1HD2 LEU 41 -0.066 8.456 -10.715 330 HD23 LEU 41 2HD2 LEU 41 -0.792 9.629 -11.813 331 H ALA 42 H ALA 42 2.917 12.858 -9.522 332 HA ALA 42 HA ALA 42 3.555 14.224 -11.960 333 HB1 ALA 42 3HB ALA 42 4.591 14.478 -9.127 334 HB2 ALA 42 1HB ALA 42 3.423 15.512 -9.950 335 HB3 ALA 42 2HB ALA 42 5.118 15.539 -10.434 336 H LYS 43 H LYS 43 5.307 11.908 -9.956 337 HA LYS 43 HA LYS 43 7.770 12.217 -11.548 338 HB2 LYS 43 2HB LYS 43 7.017 10.375 -9.263 339 HB3 LYS 43 3HB LYS 43 8.595 10.376 -10.048 340 HG2 LYS 43 2HG LYS 43 8.892 12.756 -9.450 341 HG3 LYS 43 3HG LYS 43 7.317 12.747 -8.653 342 HD2 LYS 43 2HD LYS 43 8.101 11.005 -7.097 343 HD3 LYS 43 3HD LYS 43 9.675 10.997 -7.894 344 HE2 LYS 43 2HE LYS 43 10.000 13.365 -7.296 345 HE3 LYS 43 3HE LYS 43 8.424 13.384 -6.506 346 HZ1 LYS 43 3HZ LYS 43 9.685 11.229 -5.420 347 HZ2 LYS 43 1HZ LYS 43 9.508 12.748 -4.689 348 HZ3 LYS 43 2HZ LYS 43 10.926 12.381 -5.551 349 H GLU 44 H GLU 44 5.815 9.343 -10.651 350 HA GLU 44 HA GLU 44 6.426 8.213 -13.368 351 HB2 GLU 44 2HB GLU 44 5.927 6.849 -10.713 352 HB3 GLU 44 3HB GLU 44 6.014 5.995 -12.257 353 HG2 GLU 44 2HG GLU 44 8.281 6.844 -12.630 354 HG3 GLU 44 3HG GLU 44 8.202 7.764 -11.126 355 H SER 45 H SER 45 4.776 7.387 -14.590 356 HA SER 45 HA SER 45 2.085 8.328 -13.963 357 HB2 SER 45 2HB SER 45 2.940 8.411 -16.264 358 HB3 SER 45 3HB SER 45 3.150 6.663 -16.263 359 HG SER 45 HG SER 45 1.077 7.820 -17.088 360 H THR 46 H THR 46 0.205 6.764 -14.248 361 HA THR 46 HA THR 46 0.375 4.646 -12.325 362 HB THR 46 HB THR 46 -1.912 4.079 -13.129 363 HG1 THR 46 HG1 THR 46 -1.062 4.946 -15.363 364 HG21 THR 46 3HG2 THR 46 -1.440 7.066 -12.935 365 HG22 THR 46 1HG2 THR 46 -1.528 5.977 -11.551 366 HG23 THR 46 2HG2 THR 46 -2.942 6.218 -12.578 367 H ASP 47 H ASP 47 0.557 4.697 -15.867 368 HA ASP 47 HA ASP 47 0.405 1.865 -16.270 369 HB2 ASP 47 2HB ASP 47 0.133 3.515 -18.088 370 HB3 ASP 47 3HB ASP 47 1.829 3.971 -17.925 371 H ASP 48 H ASP 48 3.122 4.052 -15.653 372 HA ASP 48 HA ASP 48 5.209 2.136 -16.056 373 HB2 ASP 48 2HB ASP 48 5.431 4.663 -15.884 374 HB3 ASP 48 3HB ASP 48 5.273 4.477 -14.138 375 H ILE 49 H ILE 49 3.219 2.940 -13.234 376 HA ILE 49 HA ILE 49 4.802 1.300 -11.423 377 HB ILE 49 HB ILE 49 2.032 2.505 -11.162 378 HG12 ILE 49 2HG1 ILE 49 4.658 3.319 -9.884 379 HG13 ILE 49 3HG1 ILE 49 4.036 4.045 -11.366 380 HG21 ILE 49 1HG2 ILE 49 2.455 2.082 -8.689 381 HG22 ILE 49 2HG2 ILE 49 3.787 1.036 -9.177 382 HG23 ILE 49 3HG2 ILE 49 2.135 0.640 -9.650 383 HD11 ILE 49 3HD1 ILE 49 1.918 4.593 -10.099 384 HD12 ILE 49 1HD1 ILE 49 3.350 5.455 -9.536 385 HD13 ILE 49 2HD1 ILE 49 2.741 4.071 -8.629 386 H THR 50 H THR 50 4.677 -0.858 -11.207 387 HA THR 50 HA THR 50 2.203 -2.289 -12.139 388 HB THR 50 HB THR 50 4.987 -3.465 -12.293 389 HG1 THR 50 HG1 THR 50 3.661 -2.205 -14.440 390 HG21 THR 50 3HG2 THR 50 2.359 -4.023 -13.702 391 HG22 THR 50 1HG2 THR 50 3.148 -5.042 -12.499 392 HG23 THR 50 2HG2 THR 50 3.884 -4.820 -14.086 393 H GLY 51 H GLY 51 4.060 -1.483 -9.514 394 HA2 GLY 51 2HA GLY 51 2.824 -3.524 -7.862 395 HA3 GLY 51 3HA GLY 51 4.555 -3.790 -8.054 396 H MET 52 H MET 52 4.167 -3.396 -5.567 397 HA MET 52 HA MET 52 4.821 -0.521 -5.041 398 HB2 MET 52 2HB MET 52 2.452 -0.929 -4.411 399 HB3 MET 52 3HB MET 52 2.970 -2.248 -3.361 400 HG2 MET 52 2HG MET 52 4.276 -0.708 -1.994 401 HG3 MET 52 3HG MET 52 3.910 0.623 -3.092 402 HE1 MET 52 3HE MET 52 1.180 -2.216 -1.740 403 HE2 MET 52 1HE MET 52 1.271 -1.540 -0.109 404 HE3 MET 52 2HE MET 52 2.735 -2.092 -0.921 405 H TYR 53 H TYR 53 6.541 -0.272 -3.668 406 HA TYR 53 HA TYR 53 7.745 -2.766 -2.521 407 HB2 TYR 53 2HB TYR 53 8.954 -0.073 -3.218 408 HB3 TYR 53 3HB TYR 53 9.834 -1.388 -2.437 409 HD1 TYR 53 HD2 TYR 53 8.108 -0.330 -5.540 410 HD2 TYR 53 HD1 TYR 53 10.503 -3.357 -3.657 411 HE1 TYR 53 HE2 TYR 53 8.529 -1.374 -7.751 412 HE2 TYR 53 HE1 TYR 53 10.923 -4.399 -5.866 413 HH TYR 53 HH TYR 53 10.772 -3.131 -8.556 414 H LEU 54 H LEU 54 7.351 -3.005 -0.388 415 HA LEU 54 HA LEU 54 6.808 -0.604 1.290 416 HB2 LEU 54 2HB LEU 54 6.527 -3.567 1.893 417 HB3 LEU 54 3HB LEU 54 6.009 -2.249 2.947 418 HG LEU 54 HG LEU 54 4.977 -2.755 0.138 419 HD11 LEU 54 1HD1 LEU 54 2.823 -3.221 1.457 420 HD12 LEU 54 2HD1 LEU 54 3.856 -3.351 2.881 421 HD13 LEU 54 3HD1 LEU 54 4.076 -4.461 1.528 422 HD21 LEU 54 3HD2 LEU 54 4.533 -0.588 2.175 423 HD22 LEU 54 1HD2 LEU 54 3.185 -1.062 1.142 424 HD23 LEU 54 2HD2 LEU 54 4.673 -0.461 0.422 425 H ILE 55 H ILE 55 8.548 0.266 2.239 426 HA ILE 55 HA ILE 55 10.840 -1.510 2.993 427 HB ILE 55 HB ILE 55 10.699 1.478 2.483 428 HG12 ILE 55 2HG1 ILE 55 12.437 0.758 0.707 429 HG13 ILE 55 3HG1 ILE 55 11.890 -0.887 1.004 430 HG21 ILE 55 1HG2 ILE 55 13.256 1.228 2.738 431 HG22 ILE 55 2HG2 ILE 55 12.897 -0.289 3.565 432 HG23 ILE 55 3HG2 ILE 55 12.293 1.234 4.216 433 HD11 ILE 55 3HD1 ILE 55 9.787 -0.497 0.077 434 HD12 ILE 55 1HD1 ILE 55 10.791 0.547 -0.918 435 HD13 ILE 55 2HD1 ILE 55 9.840 1.235 0.393 436 H ASP 56 H ASP 56 11.343 -1.737 5.085 437 HA ASP 56 HA ASP 56 10.086 0.095 7.093 438 HB2 ASP 56 2HB ASP 56 9.067 -2.241 6.927 439 HB3 ASP 56 3HB ASP 56 10.618 -2.855 7.502 440 H ASP 57 H ASP 57 12.601 0.540 5.971 441 HA ASP 57 HA ASP 57 14.839 0.882 6.544 442 HB2 ASP 57 2HB ASP 57 13.608 0.595 9.299 443 HB3 ASP 57 3HB ASP 57 15.269 1.112 9.016 444 H GLU 58 H GLU 58 13.408 -2.019 6.724 445 HA GLU 58 HA GLU 58 15.985 -3.401 7.232 446 HB2 GLU 58 2HB GLU 58 13.397 -3.998 8.700 447 HB3 GLU 58 3HB GLU 58 14.757 -5.119 8.634 448 HG2 GLU 58 2HG GLU 58 16.213 -3.433 9.683 449 HG3 GLU 58 3HG GLU 58 14.870 -2.291 9.729 450 H GLY 59 H GLY 59 13.188 -5.351 7.331 451 HA2 GLY 59 2HA GLY 59 13.848 -6.543 4.760 452 HA3 GLY 59 3HA GLY 59 12.533 -7.042 5.825 453 H GLU 60 H GLU 60 12.123 -6.860 3.060 454 HA GLU 60 HA GLU 60 10.135 -4.640 2.962 455 HB2 GLU 60 2HB GLU 60 10.792 -4.109 0.652 456 HB3 GLU 60 3HB GLU 60 12.145 -3.863 1.754 457 HG2 GLU 60 2HG GLU 60 12.988 -6.138 1.162 458 HG3 GLU 60 3HG GLU 60 11.689 -6.275 -0.024 459 H ILE 61 H ILE 61 8.381 -5.020 1.549 460 HA ILE 61 HA ILE 61 8.031 -7.894 0.730 461 HB ILE 61 HB ILE 61 5.973 -5.883 1.697 462 HG12 ILE 61 2HG1 ILE 61 6.815 -8.535 2.895 463 HG13 ILE 61 3HG1 ILE 61 7.500 -6.990 3.402 464 HG21 ILE 61 1HG2 ILE 61 4.886 -7.206 0.047 465 HG22 ILE 61 2HG2 ILE 61 4.491 -7.988 1.578 466 HG23 ILE 61 3HG2 ILE 61 5.744 -8.667 0.539 467 HD11 ILE 61 3HD1 ILE 61 5.615 -7.691 4.861 468 HD12 ILE 61 1HD1 ILE 61 4.548 -7.682 3.456 469 HD13 ILE 61 2HD1 ILE 61 5.274 -6.177 4.022 470 H ILE 62 H ILE 62 7.473 -8.238 -1.386 471 HA ILE 62 HA ILE 62 7.140 -5.819 -3.123 472 HB ILE 62 HB ILE 62 7.789 -8.679 -3.897 473 HG12 ILE 62 2HG1 ILE 62 9.593 -7.835 -2.510 474 HG13 ILE 62 3HG1 ILE 62 10.122 -7.796 -4.187 475 HG21 ILE 62 1HG2 ILE 62 7.796 -6.041 -5.377 476 HG22 ILE 62 2HG2 ILE 62 6.881 -7.497 -5.763 477 HG23 ILE 62 3HG2 ILE 62 8.631 -7.473 -5.977 478 HD11 ILE 62 3HD1 ILE 62 9.228 -5.338 -4.159 479 HD12 ILE 62 1HD1 ILE 62 10.778 -5.687 -3.397 480 HD13 ILE 62 2HD1 ILE 62 9.333 -5.500 -2.408 481 H THR 63 H THR 63 5.170 -5.417 -3.921 482 HA THR 63 HA THR 63 3.189 -7.671 -4.103 483 HB THR 63 HB THR 63 2.682 -4.765 -3.395 484 HG1 THR 63 HG1 THR 63 2.475 -5.477 -1.384 485 HG21 THR 63 3HG2 THR 63 0.803 -5.567 -4.628 486 HG22 THR 63 1HG2 THR 63 0.359 -5.717 -2.928 487 HG23 THR 63 2HG2 THR 63 0.867 -7.142 -3.835 488 H ARG 64 H ARG 64 2.540 -8.022 -6.132 489 HA ARG 64 HA ARG 64 3.052 -5.943 -8.209 490 HB2 ARG 64 2HB ARG 64 3.827 -8.446 -8.310 491 HB3 ARG 64 3HB ARG 64 2.151 -8.780 -8.728 492 HG2 ARG 64 2HG ARG 64 3.051 -8.464 -10.850 493 HG3 ARG 64 3HG ARG 64 2.529 -6.820 -10.490 494 HD2 ARG 64 2HD ARG 64 4.837 -6.320 -9.652 495 HD3 ARG 64 3HD ARG 64 5.328 -7.942 -10.145 496 HE ARG 64 HE ARG 64 4.119 -6.637 -12.374 497 HH11 ARG 64 1HH2 ARG 64 6.887 -6.529 -10.320 498 HH12 ARG 64 2HH2 ARG 64 7.935 -5.902 -11.549 499 HH21 ARG 64 1HH1 ARG 64 5.464 -5.824 -13.983 500 HH22 ARG 64 2HH1 ARG 64 7.130 -5.505 -13.627 501 H GLU 65 H GLU 65 0.549 -7.173 -6.298 502 HA GLU 65 HA GLU 65 -1.573 -6.861 -8.301 503 HB2 GLU 65 2HB GLU 65 -1.652 -7.306 -5.298 504 HB3 GLU 65 3HB GLU 65 -3.072 -7.287 -6.342 505 HG2 GLU 65 2HG GLU 65 -0.721 -9.175 -6.673 506 HG3 GLU 65 3HG GLU 65 -2.247 -9.601 -5.898 507 H VAL 66 H VAL 66 -0.879 -4.580 -8.795 508 HA VAL 66 HA VAL 66 -2.074 -2.651 -6.832 509 HB VAL 66 HB VAL 66 0.328 -2.313 -8.645 510 HG11 VAL 66 1HG1 VAL 66 0.356 0.021 -7.556 511 HG12 VAL 66 2HG1 VAL 66 -1.325 -0.288 -7.124 512 HG13 VAL 66 3HG1 VAL 66 -0.845 -0.247 -8.820 513 HG21 VAL 66 3HG2 VAL 66 1.456 -1.794 -6.499 514 HG22 VAL 66 1HG2 VAL 66 0.764 -3.415 -6.487 515 HG23 VAL 66 2HG2 VAL 66 -0.054 -2.101 -5.641 516 H LYS 67 H LYS 67 -3.637 -1.333 -7.615 517 HA LYS 67 HA LYS 67 -4.046 -1.223 -10.589 518 HB2 LYS 67 2HB LYS 67 -6.118 -1.500 -8.392 519 HB3 LYS 67 3HB LYS 67 -6.501 -1.136 -10.076 520 HG2 LYS 67 2HG LYS 67 -5.391 -3.232 -10.774 521 HG3 LYS 67 3HG LYS 67 -5.044 -3.602 -9.085 522 HD2 LYS 67 2HD LYS 67 -7.438 -3.646 -8.573 523 HD3 LYS 67 3HD LYS 67 -7.818 -3.209 -10.240 524 HE2 LYS 67 2HE LYS 67 -8.064 -5.625 -9.954 525 HE3 LYS 67 3HE LYS 67 -6.693 -5.291 -11.013 526 HZ1 LYS 67 3HZ LYS 67 -5.276 -5.425 -8.971 527 HZ2 LYS 67 1HZ LYS 67 -5.977 -6.890 -9.457 528 HZ3 LYS 67 2HZ LYS 67 -6.631 -6.032 -8.145 529 H GLY 68 H GLY 68 -4.464 0.806 -11.395 530 HA2 GLY 68 2HA GLY 68 -4.234 3.067 -9.479 531 HA3 GLY 68 3HA GLY 68 -3.990 3.163 -11.220 532 H LYS 69 H LYS 69 -5.887 4.498 -9.125 533 HA LYS 69 HA LYS 69 -8.484 3.975 -10.515 534 HB2 LYS 69 2HB LYS 69 -7.780 5.320 -7.895 535 HB3 LYS 69 3HB LYS 69 -9.399 5.372 -8.597 536 HG2 LYS 69 2HG LYS 69 -9.476 2.905 -8.606 537 HG3 LYS 69 3HG LYS 69 -7.858 2.852 -7.907 538 HD2 LYS 69 2HD LYS 69 -8.665 4.065 -5.921 539 HD3 LYS 69 3HD LYS 69 -10.285 4.131 -6.616 540 HE2 LYS 69 2HE LYS 69 -8.809 1.536 -6.113 541 HE3 LYS 69 3HE LYS 69 -9.921 2.255 -4.948 542 HZ1 LYS 69 3HZ LYS 69 -10.471 0.956 -7.488 543 HZ2 LYS 69 1HZ LYS 69 -11.402 2.332 -7.147 544 HZ3 LYS 69 2HZ LYS 69 -11.407 1.018 -6.071 545 H PHE 70 H PHE 70 -9.138 5.427 -12.014 546 HA PHE 70 HA PHE 70 -7.796 8.111 -12.106 547 HB2 PHE 70 2HB PHE 70 -9.310 6.655 -14.298 548 HB3 PHE 70 3HB PHE 70 -8.334 8.116 -14.468 549 HD1 PHE 70 HD1 PHE 70 -8.266 4.481 -13.909 550 HD2 PHE 70 HD2 PHE 70 -5.896 8.020 -14.446 551 HE1 PHE 70 HE1 PHE 70 -6.255 3.078 -14.269 552 HE2 PHE 70 HE2 PHE 70 -3.882 6.615 -14.800 553 HZ PHE 70 HZ PHE 70 -4.063 4.147 -14.714 554 H ILE 71 H ILE 71 -9.066 9.959 -12.222 555 HA ILE 71 HA ILE 71 -12.033 9.596 -11.909 556 HB ILE 71 HB ILE 71 -10.210 11.668 -10.646 557 HG12 ILE 71 2HG1 ILE 71 -11.933 9.494 -9.407 558 HG13 ILE 71 3HG1 ILE 71 -10.191 9.366 -9.643 559 HG21 ILE 71 1HG2 ILE 71 -12.319 12.393 -9.497 560 HG22 ILE 71 2HG2 ILE 71 -13.222 11.318 -10.562 561 HG23 ILE 71 3HG2 ILE 71 -12.343 12.690 -11.234 562 HD11 ILE 71 3HD1 ILE 71 -11.717 11.161 -7.773 563 HD12 ILE 71 1HD1 ILE 71 -10.106 11.629 -8.314 564 HD13 ILE 71 2HD1 ILE 71 -10.334 10.121 -7.431 565 H ASN 72 H ASN 72 -13.221 10.606 -13.427 566 HA ASN 72 HA ASN 72 -13.765 11.904 -15.292 567 HB2 ASN 72 2HB ASN 72 -11.675 13.822 -14.215 568 HB3 ASN 72 3HB ASN 72 -13.012 14.207 -15.296 569 HD21 ASN 72 1HD2 ASN 72 -14.953 12.473 -13.841 570 HD22 ASN 72 2HD2 ASN 72 -15.304 13.278 -12.391 571 H GLY 73 H GLY 73 -11.643 9.900 -15.483 572 HA2 GLY 73 2HA GLY 73 -10.202 9.149 -17.170 573 HA3 GLY 73 3HA GLY 73 -10.668 10.571 -18.105 574 H ARG 74 H ARG 74 -9.394 11.048 -14.901 575 HA ARG 74 HA ARG 74 -6.720 11.708 -16.034 576 HB2 ARG 74 2HB ARG 74 -8.126 13.764 -15.893 577 HB3 ARG 74 3HB ARG 74 -8.223 13.521 -14.148 578 HG2 ARG 74 2HG ARG 74 -5.731 13.558 -14.038 579 HG3 ARG 74 3HG ARG 74 -5.685 13.902 -15.766 580 HD2 ARG 74 2HD ARG 74 -6.904 15.989 -15.423 581 HD3 ARG 74 3HD ARG 74 -7.083 15.631 -13.706 582 HE ARG 74 HE ARG 74 -4.300 15.598 -14.391 583 HH11 ARG 74 1HH2 ARG 74 -7.020 17.691 -14.011 584 HH12 ARG 74 2HH2 ARG 74 -6.066 19.064 -13.555 585 HH21 ARG 74 1HH1 ARG 74 -3.044 17.381 -13.796 586 HH22 ARG 74 2HH1 ARG 74 -3.818 18.887 -13.436 587 HA PRO 75 HA PRO 75 -5.442 9.183 -12.480 588 HB2 PRO 75 2HB PRO 75 -3.021 10.955 -12.674 589 HB3 PRO 75 3HB PRO 75 -3.115 9.187 -12.549 590 HG2 PRO 75 2HG PRO 75 -2.571 10.398 -14.865 591 HG3 PRO 75 3HG PRO 75 -3.542 8.919 -14.792 592 HD2 PRO 75 2HD PRO 75 -4.425 11.711 -15.346 593 HD3 PRO 75 3HD PRO 75 -5.138 10.163 -15.860 594 H THR 76 H THR 76 -5.736 9.494 -10.304 595 HA THR 76 HA THR 76 -5.109 12.083 -9.049 596 HB THR 76 HB THR 76 -7.920 11.009 -8.785 597 HG1 THR 76 HG1 THR 76 -8.306 11.777 -10.673 598 HG21 THR 76 3HG2 THR 76 -6.888 12.603 -7.086 599 HG22 THR 76 1HG2 THR 76 -8.388 13.150 -7.832 600 HG23 THR 76 2HG2 THR 76 -6.845 13.806 -8.376 601 H ALA 77 H ALA 77 -6.334 8.758 -8.776 602 HA ALA 77 HA ALA 77 -5.026 8.608 -6.094 603 HB1 ALA 77 3HB ALA 77 -7.861 7.702 -6.681 604 HB2 ALA 77 1HB ALA 77 -7.407 9.080 -5.675 605 HB3 ALA 77 2HB ALA 77 -6.992 7.443 -5.170 606 H ILE 78 H ILE 78 -4.422 6.500 -5.487 607 HA ILE 78 HA ILE 78 -4.646 4.396 -7.612 608 HB ILE 78 HB ILE 78 -2.181 5.238 -6.057 609 HG12 ILE 78 2HG1 ILE 78 -2.641 5.008 -9.041 610 HG13 ILE 78 3HG1 ILE 78 -2.857 6.511 -8.144 611 HG21 ILE 78 1HG2 ILE 78 -2.090 2.865 -6.082 612 HG22 ILE 78 2HG2 ILE 78 -1.125 3.360 -7.473 613 HG23 ILE 78 3HG2 ILE 78 -2.771 2.775 -7.705 614 HD11 ILE 78 3HD1 ILE 78 -0.606 6.415 -9.128 615 HD12 ILE 78 1HD1 ILE 78 -0.298 4.892 -8.294 616 HD13 ILE 78 2HD1 ILE 78 -0.513 6.378 -7.368 617 H GLU 79 H GLU 79 -4.239 2.197 -6.700 618 HA GLU 79 HA GLU 79 -4.680 1.986 -3.760 619 HB2 GLU 79 2HB GLU 79 -6.913 1.953 -4.831 620 HB3 GLU 79 3HB GLU 79 -6.398 0.602 -5.842 621 HG2 GLU 79 2HG GLU 79 -6.005 -0.770 -3.837 622 HG3 GLU 79 3HG GLU 79 -6.474 0.584 -2.808 623 H ALA 80 H ALA 80 -4.025 -0.042 -2.899 624 HA ALA 80 HA ALA 80 -2.714 -1.943 -4.780 625 HB1 ALA 80 3HB ALA 80 -0.885 -0.528 -4.062 626 HB2 ALA 80 1HB ALA 80 -0.756 -2.061 -3.200 627 HB3 ALA 80 2HB ALA 80 -1.403 -0.640 -2.380 628 H THR 81 H THR 81 -2.854 -4.073 -4.093 629 HA THR 81 HA THR 81 -4.238 -4.546 -1.469 630 HB THR 81 HB THR 81 -4.496 -6.079 -4.067 631 HG1 THR 81 HG1 THR 81 -6.401 -5.098 -4.238 632 HG21 THR 81 3HG2 THR 81 -5.636 -6.502 -1.299 633 HG22 THR 81 1HG2 THR 81 -4.687 -7.635 -2.264 634 HG23 THR 81 2HG2 THR 81 -6.338 -7.237 -2.739 635 H VAL 82 H VAL 82 -3.175 -5.830 -0.075 636 HA VAL 82 HA VAL 82 -0.814 -7.378 -1.091 637 HB VAL 82 HB VAL 82 -1.414 -6.286 1.673 638 HG11 VAL 82 1HG1 VAL 82 1.023 -6.991 2.023 639 HG12 VAL 82 2HG1 VAL 82 0.854 -7.944 0.548 640 HG13 VAL 82 3HG1 VAL 82 -0.157 -8.299 1.948 641 HG21 VAL 82 3HG2 VAL 82 0.443 -4.764 1.200 642 HG22 VAL 82 1HG2 VAL 82 -0.778 -4.601 -0.062 643 HG23 VAL 82 2HG2 VAL 82 0.695 -5.521 -0.371 644 H ILE 83 H ILE 83 -0.900 -9.540 -0.941 645 HA ILE 83 HA ILE 83 -3.279 -10.816 0.181 646 HB ILE 83 HB ILE 83 -0.866 -11.764 -1.358 647 HG12 ILE 83 2HG1 ILE 83 -2.480 -12.291 -3.057 648 HG13 ILE 83 3HG1 ILE 83 -3.824 -12.080 -1.940 649 HG21 ILE 83 1HG2 ILE 83 -2.906 -13.429 0.122 650 HG22 ILE 83 2HG2 ILE 83 -1.151 -13.607 0.093 651 HG23 ILE 83 3HG2 ILE 83 -2.104 -14.043 -1.325 652 HD11 ILE 83 3HD1 ILE 83 -1.935 -9.826 -2.658 653 HD12 ILE 83 1HD1 ILE 83 -3.502 -9.708 -1.851 654 HD13 ILE 83 2HD1 ILE 83 -3.417 -10.150 -3.555 655 H LEU 84 H LEU 84 -3.449 -11.657 2.152 656 HA LEU 84 HA LEU 84 -0.960 -12.154 3.757 657 HB2 LEU 84 2HB LEU 84 -3.710 -11.335 4.752 658 HB3 LEU 84 3HB LEU 84 -2.256 -11.534 5.730 659 HG LEU 84 HG LEU 84 -2.546 -9.535 3.467 660 HD11 LEU 84 1HD1 LEU 84 -2.532 -9.052 6.460 661 HD12 LEU 84 2HD1 LEU 84 -3.987 -9.060 5.463 662 HD13 LEU 84 3HD1 LEU 84 -2.741 -7.841 5.196 663 HD21 LEU 84 3HD2 LEU 84 -0.238 -9.964 3.673 664 HD22 LEU 84 1HD2 LEU 84 -0.342 -10.217 5.416 665 HD23 LEU 84 2HD2 LEU 84 -0.467 -8.589 4.747 666 H ASN 85 H ASN 85 -2.133 -14.080 2.014 667 HA ASN 85 HA ASN 85 -3.987 -15.816 3.313 668 HB2 ASN 85 2HB ASN 85 -1.846 -16.338 1.234 669 HB3 ASN 85 3HB ASN 85 -2.990 -17.569 1.766 670 HD21 ASN 85 1HD2 ASN 85 -2.952 -16.646 -0.948 671 HD22 ASN 85 2HD2 ASN 85 -4.394 -15.803 -1.247 672 H SER 86 H SER 86 -0.427 -15.690 3.361 673 HA SER 86 HA SER 86 -0.215 -18.070 5.009 674 HB2 SER 86 2HB SER 86 1.539 -16.798 3.410 675 HB3 SER 86 3HB SER 86 2.025 -16.094 4.947 676 HG SER 86 HG SER 86 2.257 -18.677 4.003 677 H GLN 87 H GLN 87 -0.004 -18.206 7.212 678 HA GLN 87 HA GLN 87 -1.101 -16.111 8.826 679 HB2 GLN 87 2HB GLN 87 0.520 -18.203 10.210 680 HB3 GLN 87 3HB GLN 87 -1.135 -17.681 10.510 681 HG2 GLN 87 2HG GLN 87 -0.166 -19.565 8.344 682 HG3 GLN 87 3HG GLN 87 -1.264 -19.926 9.671 683 HE21 GLN 87 1HE2 GLN 87 -2.709 -17.286 9.302 684 HE22 GLN 87 2HE2 GLN 87 -3.670 -17.501 7.919 685 HA PRO 88 HA PRO 88 3.581 -15.603 10.241 686 HB2 PRO 88 2HB PRO 88 4.873 -15.998 7.570 687 HB3 PRO 88 3HB PRO 88 5.413 -16.537 9.173 688 HG2 PRO 88 2HG PRO 88 4.414 -18.258 7.394 689 HG3 PRO 88 3HG PRO 88 4.093 -18.433 9.130 690 HD2 PRO 88 2HD PRO 88 2.289 -17.370 6.977 691 HD3 PRO 88 3HD PRO 88 1.886 -18.388 8.374 692 H GLU 89 H GLU 89 2.371 -14.792 7.043 693 HA GLU 89 HA GLU 89 3.685 -12.260 6.752 694 HB2 GLU 89 2HB GLU 89 2.536 -13.646 4.947 695 HB3 GLU 89 3HB GLU 89 1.004 -13.052 5.589 696 HG2 GLU 89 2HG GLU 89 1.595 -11.572 3.808 697 HG3 GLU 89 3HG GLU 89 1.941 -10.702 5.304 698 H TRP 90 H TRP 90 0.583 -13.251 8.157 699 HA TRP 90 HA TRP 90 -0.497 -10.646 8.580 700 HB2 TRP 90 2HB TRP 90 -0.917 -13.370 9.779 701 HB3 TRP 90 3HB TRP 90 -1.614 -11.989 10.622 702 HD1 TRP 90 HD1 TRP 90 -2.162 -14.244 7.706 703 HE1 TRP 90 HE1 TRP 90 -4.238 -13.470 6.383 704 HE3 TRP 90 HE3 TRP 90 -2.928 -9.696 9.877 705 HZ2 TRP 90 HZ2 TRP 90 -5.992 -11.202 6.269 706 HZ3 TRP 90 HZ3 TRP 90 -4.802 -8.249 9.152 707 HH2 TRP 90 HH2 TRP 90 -6.335 -8.995 7.352 708 H ASP 91 H ASP 91 1.624 -12.663 10.606 709 HA ASP 91 HA ASP 91 1.655 -10.956 12.885 710 HB2 ASP 91 2HB ASP 91 3.713 -12.865 11.745 711 HB3 ASP 91 3HB ASP 91 3.934 -12.032 13.285 712 H ARG 92 H ARG 92 3.810 -11.086 10.046 713 HA ARG 92 HA ARG 92 5.416 -8.835 10.872 714 HB2 ARG 92 2HB ARG 92 6.175 -10.577 9.256 715 HB3 ARG 92 3HB ARG 92 4.995 -9.976 8.090 716 HG2 ARG 92 2HG ARG 92 6.081 -7.759 8.127 717 HG3 ARG 92 3HG ARG 92 7.259 -8.357 9.295 718 HD2 ARG 92 2HD ARG 92 7.949 -10.099 7.622 719 HD3 ARG 92 3HD ARG 92 6.874 -9.337 6.448 720 HE ARG 92 HE ARG 92 8.742 -7.444 7.626 721 HH11 ARG 92 1HH2 ARG 92 8.279 -9.905 5.246 722 HH12 ARG 92 2HH2 ARG 92 9.501 -9.289 4.185 723 HH21 ARG 92 1HH1 ARG 92 10.338 -6.634 6.249 724 HH22 ARG 92 2HH1 ARG 92 10.666 -7.441 4.752 725 H PHE 93 H PHE 93 2.640 -9.214 8.686 726 HA PHE 93 HA PHE 93 2.548 -6.536 7.727 727 HB2 PHE 93 2HB PHE 93 1.252 -8.432 6.764 728 HB3 PHE 93 3HB PHE 93 0.226 -8.431 8.199 729 HD1 PHE 93 HD1 PHE 93 1.354 -6.353 5.321 730 HD2 PHE 93 HD2 PHE 93 -1.552 -6.866 8.445 731 HE1 PHE 93 HE1 PHE 93 -0.032 -4.551 4.329 732 HE2 PHE 93 HE2 PHE 93 -2.938 -5.064 7.451 733 HZ PHE 93 HZ PHE 93 -2.177 -3.906 5.394 734 H MET 94 H MET 94 0.926 -8.050 10.522 735 HA MET 94 HA MET 94 -0.486 -5.704 11.350 736 HB2 MET 94 2HB MET 94 0.432 -8.195 12.798 737 HB3 MET 94 3HB MET 94 -0.486 -6.931 13.610 738 HG2 MET 94 2HG MET 94 -1.402 -8.335 11.084 739 HG3 MET 94 3HG MET 94 -1.914 -8.795 12.704 740 HE1 MET 94 3HE MET 94 -2.561 -6.248 14.373 741 HE2 MET 94 1HE MET 94 -3.456 -7.751 14.111 742 HE3 MET 94 2HE MET 94 -4.262 -6.197 13.925 743 H ARG 95 H ARG 95 2.710 -6.993 12.258 744 HA ARG 95 HA ARG 95 3.272 -5.024 14.261 745 HB2 ARG 95 2HB ARG 95 4.539 -7.148 13.994 746 HB3 ARG 95 3HB ARG 95 5.229 -6.524 12.496 747 HG2 ARG 95 2HG ARG 95 6.302 -4.700 13.683 748 HG3 ARG 95 3HG ARG 95 5.494 -5.148 15.184 749 HD2 ARG 95 2HD ARG 95 7.774 -6.005 15.238 750 HD3 ARG 95 3HD ARG 95 6.655 -7.357 15.102 751 HE ARG 95 HE ARG 95 7.426 -7.745 12.878 752 HH11 ARG 95 1HH2 ARG 95 8.705 -4.850 14.274 753 HH12 ARG 95 2HH2 ARG 95 9.899 -4.635 13.041 754 HH21 ARG 95 1HH1 ARG 95 8.981 -7.470 11.274 755 HH22 ARG 95 2HH1 ARG 95 10.055 -6.113 11.344 756 H PHE 96 H PHE 96 3.917 -5.131 10.772 757 HA PHE 96 HA PHE 96 5.460 -2.749 10.574 758 HB2 PHE 96 2HB PHE 96 3.698 -4.319 8.704 759 HB3 PHE 96 3HB PHE 96 4.259 -2.736 8.190 760 HD1 PHE 96 HD2 PHE 96 6.046 -5.287 10.278 761 HD2 PHE 96 HD1 PHE 96 5.861 -3.188 6.536 762 HE1 PHE 96 HE2 PHE 96 8.224 -6.258 9.623 763 HE2 PHE 96 HE1 PHE 96 8.042 -4.167 5.881 764 HZ PHE 96 HZ PHE 96 9.223 -5.702 7.426 765 H MET 97 H MET 97 1.944 -3.276 10.461 766 HA MET 97 HA MET 97 1.183 -0.599 9.880 767 HB2 MET 97 2HB MET 97 -0.341 -2.557 9.772 768 HB3 MET 97 3HB MET 97 -0.304 -2.665 11.532 769 HG2 MET 97 2HG MET 97 -1.079 -0.067 10.219 770 HG3 MET 97 3HG MET 97 -2.263 -1.363 10.369 771 HE1 MET 97 3HE MET 97 -2.534 -2.718 12.686 772 HE2 MET 97 1HE MET 97 -3.764 -1.539 12.212 773 HE3 MET 97 2HE MET 97 -3.231 -1.635 13.889 774 H GLU 98 H GLU 98 1.811 -2.228 12.976 775 HA GLU 98 HA GLU 98 0.928 -0.149 14.697 776 HB2 GLU 98 2HB GLU 98 3.130 -2.206 15.027 777 HB3 GLU 98 3HB GLU 98 2.534 -1.186 16.336 778 HG2 GLU 98 2HG GLU 98 0.766 -3.016 14.688 779 HG3 GLU 98 3HG GLU 98 1.456 -3.461 16.249 780 H ARG 99 H ARG 99 4.196 -0.768 13.362 781 HA ARG 99 HA ARG 99 5.385 1.560 14.552 782 HB2 ARG 99 2HB ARG 99 6.157 -0.124 12.155 783 HB3 ARG 99 3HB ARG 99 7.144 1.212 12.745 784 HG2 ARG 99 2HG ARG 99 7.331 0.138 14.943 785 HG3 ARG 99 3HG ARG 99 6.288 -1.178 14.407 786 HD2 ARG 99 2HD ARG 99 8.886 -0.480 13.017 787 HD3 ARG 99 3HD ARG 99 8.789 -1.667 14.321 788 HE ARG 99 HE ARG 99 6.827 -2.368 12.405 789 HH11 ARG 99 1HH2 ARG 99 10.255 -2.052 12.707 790 HH12 ARG 99 2HH2 ARG 99 10.599 -3.297 11.552 791 HH21 ARG 99 1HH1 ARG 99 7.265 -3.995 10.913 792 HH22 ARG 99 2HH1 ARG 99 8.907 -4.395 10.536 793 H TYR 100 H TYR 100 3.768 0.972 11.459 794 HA TYR 100 HA TYR 100 4.363 3.457 10.206 795 HB2 TYR 100 2HB TYR 100 3.339 1.590 8.990 796 HB3 TYR 100 3HB TYR 100 1.892 1.708 9.986 797 HD1 TYR 100 HD1 TYR 100 3.992 3.551 7.522 798 HD2 TYR 100 HD2 TYR 100 0.189 3.290 9.500 799 HE1 TYR 100 HE1 TYR 100 3.078 5.279 5.994 800 HE2 TYR 100 HE2 TYR 100 -0.724 5.016 7.975 801 HH TYR 100 HH TYR 100 -0.130 5.834 5.563 802 H GLY 101 H GLY 101 1.650 2.498 12.318 803 HA2 GLY 101 2HA GLY 101 0.287 5.007 12.228 804 HA3 GLY 101 3HA GLY 101 0.114 3.809 13.511 805 H ALA 102 H ALA 102 2.913 3.798 14.268 806 HA ALA 102 HA ALA 102 2.908 5.940 16.171 807 HB1 ALA 102 3HB ALA 102 5.062 5.133 16.820 808 HB2 ALA 102 1HB ALA 102 5.347 4.411 15.237 809 HB3 ALA 102 2HB ALA 102 4.145 3.712 16.322 810 H GLU 103 H GLU 103 4.513 5.520 13.035 811 HA GLU 103 HA GLU 103 5.875 8.116 13.260 812 HB2 GLU 103 2HB GLU 103 5.638 6.135 10.971 813 HB3 GLU 103 3HB GLU 103 6.637 7.587 10.942 814 HG2 GLU 103 2HG GLU 103 6.913 5.365 12.987 815 HG3 GLU 103 3HG GLU 103 7.927 5.533 11.553 816 H ASN 104 H ASN 104 2.781 7.041 12.371 817 HA ASN 104 HA ASN 104 2.227 9.656 11.019 818 HB2 ASN 104 2HB ASN 104 1.179 6.953 10.105 819 HB3 ASN 104 3HB ASN 104 0.785 8.516 9.392 820 HD21 ASN 104 1HD2 ASN 104 2.690 5.888 8.828 821 HD22 ASN 104 2HD2 ASN 104 3.978 6.626 8.007 822 H GLY 105 H GLY 105 -0.547 8.769 10.541 823 HA2 GLY 105 2HA GLY 105 -1.645 8.169 13.204 824 HA3 GLY 105 3HA GLY 105 -1.980 9.796 12.601 825 H LEU 106 H LEU 106 -1.865 6.597 11.005 826 HA LEU 106 HA LEU 106 -3.299 5.749 9.344 827 HB2 LEU 106 2HB LEU 106 -5.080 6.388 11.702 828 HB3 LEU 106 3HB LEU 106 -5.641 5.468 10.308 829 HG LEU 106 HG LEU 106 -4.862 4.009 12.163 830 HD11 LEU 106 1HD1 LEU 106 -3.930 2.438 10.766 831 HD12 LEU 106 2HD1 LEU 106 -2.811 3.583 10.031 832 HD13 LEU 106 3HD1 LEU 106 -4.506 3.570 9.546 833 HD21 LEU 106 3HD2 LEU 106 -2.047 4.897 11.596 834 HD22 LEU 106 1HD2 LEU 106 -2.669 4.007 12.983 835 HD23 LEU 106 2HD2 LEU 106 -3.020 5.726 12.813 836 H GLY 107 H GLY 107 -2.842 8.704 9.248 837 HA2 GLY 107 2HA GLY 107 -4.876 9.278 7.260 838 HA3 GLY 107 3HA GLY 107 -5.085 10.243 8.720 839 H PHE 108 H PHE 108 -4.533 12.210 7.732 840 HA PHE 108 HA PHE 108 -2.127 12.549 6.155 841 HB2 PHE 108 2HB PHE 108 -3.870 14.616 7.529 842 HB3 PHE 108 3HB PHE 108 -2.692 14.936 6.254 843 HD1 PHE 108 HD1 PHE 108 -3.016 13.873 3.976 844 HD2 PHE 108 HD2 PHE 108 -6.058 13.827 7.011 845 HE1 PHE 108 HE1 PHE 108 -4.724 13.335 2.258 846 HE2 PHE 108 HE2 PHE 108 -7.764 13.289 5.293 847 HZ PHE 108 HZ PHE 108 -7.096 13.043 2.919 848 H SER 109 H SER 109 -0.130 13.425 6.789 849 HA SER 109 HA SER 109 0.267 14.462 9.491 850 HB2 SER 109 2HB SER 109 1.583 12.741 10.388 851 HB3 SER 109 3HB SER 109 0.284 11.859 9.594 852 HG SER 109 HG SER 109 2.947 11.900 9.065 853 H LYS 110 H LYS 110 3.165 13.377 9.132 854 HA LYS 110 HA LYS 110 4.239 15.757 7.951 855 HB2 LYS 110 2HB LYS 110 5.515 13.086 8.613 856 HB3 LYS 110 3HB LYS 110 6.421 14.515 8.114 857 HG2 LYS 110 2HG LYS 110 5.493 15.776 10.025 858 HG3 LYS 110 3HG LYS 110 4.587 14.348 10.527 859 HD2 LYS 110 2HD LYS 110 6.678 13.113 10.869 860 HD3 LYS 110 3HD LYS 110 7.609 14.503 10.310 861 HE2 LYS 110 2HE LYS 110 7.598 14.502 12.746 862 HE3 LYS 110 3HE LYS 110 6.618 15.853 12.174 863 HZ1 LYS 110 3HZ LYS 110 4.658 14.753 12.695 864 HZ2 LYS 110 1HZ LYS 110 5.670 14.363 14.000 865 HZ3 LYS 110 2HZ LYS 110 5.402 13.229 12.764 866 H SER 111 H SER 111 3.122 15.753 5.844 867 HA SER 111 HA SER 111 4.773 14.525 3.766 868 HB2 SER 111 2HB SER 111 2.678 13.499 2.664 869 HB3 SER 111 3HB SER 111 3.372 12.631 4.031 870 HG SER 111 HG SER 111 1.815 14.056 5.274 871 H GLU 112 H GLU 112 1.364 15.568 3.731 872 HA GLU 112 HA GLU 112 1.996 17.515 1.620 873 HB2 GLU 112 2HB GLU 112 -0.589 16.707 2.984 874 HB3 GLU 112 3HB GLU 112 -0.496 17.920 1.706 875 HG2 GLU 112 2HG GLU 112 0.462 16.267 0.167 876 HG3 GLU 112 3HG GLU 112 0.460 15.051 1.445 877 H LEU 113 H LEU 113 1.695 17.501 5.045 878 HA LEU 113 HA LEU 113 1.204 20.444 5.139 879 HB2 LEU 113 2HB LEU 113 1.409 18.432 7.404 880 HB3 LEU 113 3HB LEU 113 0.922 20.120 7.540 881 HG LEU 113 HG LEU 113 -0.868 19.305 5.652 882 HD11 LEU 113 1HD1 LEU 113 -0.679 16.892 7.462 883 HD12 LEU 113 2HD1 LEU 113 0.140 16.939 5.901 884 HD13 LEU 113 3HD1 LEU 113 -1.615 17.082 5.979 885 HD21 LEU 113 3HD2 LEU 113 -1.063 19.086 8.668 886 HD22 LEU 113 1HD2 LEU 113 -2.457 18.892 7.605 887 HD23 LEU 113 2HD2 LEU 113 -1.584 20.425 7.645 888 H GLU 114 H GLU 114 3.342 18.129 6.832 889 HA GLU 114 HA GLU 114 5.465 18.497 7.770 890 HB2 GLU 114 2HB GLU 114 5.764 19.460 4.918 891 HB3 GLU 114 3HB GLU 114 7.129 19.207 6.007 892 HG2 GLU 114 2HG GLU 114 6.502 16.863 6.305 893 HG3 GLU 114 3HG GLU 114 5.076 17.092 5.295 894 H HIS 115 H HIS 115 4.201 20.297 9.019 895 HA HIS 115 HA HIS 115 4.700 23.054 8.369 896 HB2 HIS 115 2HB HIS 115 4.049 21.668 10.987 897 HB3 HIS 115 3HB HIS 115 4.112 23.420 10.796 898 HD1 HIS 115 HD1 HIS 115 2.337 24.493 9.134 899 HD2 HIS 115 HD2 HIS 115 1.715 20.462 9.998 900 HE1 HIS 115 HE1 HIS 115 -0.017 23.950 8.372 901 H HIS 116 H HIS 116 6.376 20.660 10.363 902 HA HIS 116 HA HIS 116 8.489 20.669 11.340 903 HB2 HIS 116 2HB HIS 116 8.968 22.535 9.002 904 HB3 HIS 116 3HB HIS 116 10.251 21.927 10.048 905 HD1 HIS 116 HD1 HIS 116 9.903 19.095 10.387 906 HD2 HIS 116 HD2 HIS 116 8.717 20.878 6.810 907 HE1 HIS 116 HE1 HIS 116 9.789 17.241 8.667 908 H HIS 117 H HIS 117 7.918 21.614 13.309 909 HA HIS 117 HA HIS 117 7.635 24.445 13.730 910 HB2 HIS 117 2HB HIS 117 8.238 22.125 15.584 911 HB3 HIS 117 3HB HIS 117 8.025 23.778 16.161 912 HD1 HIS 117 HD1 HIS 117 6.132 21.070 14.281 913 HD2 HIS 117 HD2 HIS 117 5.363 24.576 16.400 914 HE1 HIS 117 HE1 HIS 117 3.614 21.227 14.516 915 H HIS 118 H HIS 118 10.371 22.189 14.093 916 HA HIS 118 HA HIS 118 12.211 24.121 15.158 917 HB2 HIS 118 2HB HIS 118 12.560 21.664 15.289 918 HB3 HIS 118 3HB HIS 118 12.793 21.619 13.542 919 HD1 HIS 118 HD1 HIS 118 14.253 23.629 16.455 920 HD2 HIS 118 HD2 HIS 118 15.465 21.796 12.912 921 HE1 HIS 118 HE1 HIS 118 16.757 23.965 16.295 922 H HIS 119 H HIS 119 11.512 23.007 11.865 923 HA HIS 119 HA HIS 119 12.290 23.778 9.786 924 HB2 HIS 119 2HB HIS 119 11.836 26.162 9.437 925 HB3 HIS 119 3HB HIS 119 10.548 25.426 10.387 926 HD1 HIS 119 HD1 HIS 119 10.331 26.127 12.864 927 HD2 HIS 119 HD2 HIS 119 13.502 27.979 10.892 928 HE1 HIS 119 HE1 HIS 119 11.138 27.982 14.388 929 H HIS 120 H HIS 120 13.696 26.006 8.998 930 HA HIS 120 HA HIS 120 16.382 25.280 9.336 931 HB2 HIS 120 2HB HIS 120 15.135 27.958 8.672 932 HB3 HIS 120 3HB HIS 120 16.872 27.660 8.593 933 HD1 HIS 120 HD1 HIS 120 13.619 26.399 7.082 934 HD2 HIS 120 HD2 HIS 120 17.710 26.343 6.281 935 HE1 HIS 120 HE1 HIS 120 13.883 25.400 4.769 Start of MODEL 3 1 H1 MET 1 1H MET 1 13.382 5.195 8.688 2 H2 MET 1 2H MET 1 12.324 5.196 7.359 3 H3 MET 1 3H MET 1 13.945 4.730 7.158 4 HA MET 1 HA MET 1 13.160 2.654 7.324 5 HB2 MET 1 2HB MET 1 13.077 3.621 10.193 6 HB3 MET 1 3HB MET 1 12.942 1.923 9.736 7 HG2 MET 1 2HG MET 1 15.127 2.061 8.592 8 HG3 MET 1 3HG MET 1 15.265 3.754 9.066 9 HE1 MET 1 3HE MET 1 17.612 1.847 9.805 10 HE2 MET 1 1HE MET 1 17.885 2.476 11.436 11 HE3 MET 1 2HE MET 1 17.408 3.566 10.137 12 H ALA 2 H ALA 2 11.350 1.196 7.813 13 HA ALA 2 HA ALA 2 9.047 0.758 7.565 14 HB1 ALA 2 3HB ALA 2 7.722 1.498 9.457 15 HB2 ALA 2 1HB ALA 2 8.870 2.789 9.808 16 HB3 ALA 2 2HB ALA 2 9.340 1.105 10.036 17 H GLU 3 H GLU 3 8.692 1.736 5.495 18 HA GLU 3 HA GLU 3 6.922 4.087 5.605 19 HB2 GLU 3 2HB GLU 3 8.202 5.367 3.937 20 HB3 GLU 3 3HB GLU 3 9.157 5.120 5.397 21 HG2 GLU 3 2HG GLU 3 10.285 3.190 4.313 22 HG3 GLU 3 3HG GLU 3 9.365 3.497 2.839 23 H ILE 4 H ILE 4 5.866 4.434 3.469 24 HA ILE 4 HA ILE 4 5.754 1.887 1.878 25 HB ILE 4 HB ILE 4 3.640 4.012 2.325 26 HG12 ILE 4 2HG1 ILE 4 3.716 1.122 3.241 27 HG13 ILE 4 3HG1 ILE 4 4.192 2.478 4.260 28 HG21 ILE 4 1HG2 ILE 4 3.724 1.488 0.665 29 HG22 ILE 4 2HG2 ILE 4 3.291 3.116 0.152 30 HG23 ILE 4 3HG2 ILE 4 2.204 2.204 1.200 31 HD11 ILE 4 3HD1 ILE 4 1.762 1.654 4.478 32 HD12 ILE 4 1HD1 ILE 4 1.497 2.399 2.901 33 HD13 ILE 4 2HD1 ILE 4 2.003 3.388 4.271 34 H GLN 5 H GLN 5 6.389 2.047 -0.228 35 HA GLN 5 HA GLN 5 5.967 4.558 -1.709 36 HB2 GLN 5 2HB GLN 5 8.361 4.707 -2.403 37 HB3 GLN 5 3HB GLN 5 8.127 5.026 -0.684 38 HG2 GLN 5 2HG GLN 5 8.710 2.648 -0.203 39 HG3 GLN 5 3HG GLN 5 9.052 2.416 -1.918 40 HE21 GLN 5 1HE2 GLN 5 10.172 5.212 -2.164 41 HE22 GLN 5 2HE2 GLN 5 11.703 5.142 -1.433 42 H PHE 6 H PHE 6 6.244 4.250 -4.006 43 HA PHE 6 HA PHE 6 5.766 1.456 -4.812 44 HB2 PHE 6 2HB PHE 6 5.728 4.076 -6.335 45 HB3 PHE 6 3HB PHE 6 5.398 2.508 -7.076 46 HD1 PHE 6 HD1 PHE 6 3.428 1.173 -6.376 47 HD2 PHE 6 HD2 PHE 6 4.128 5.130 -4.859 48 HE1 PHE 6 HE1 PHE 6 1.083 1.281 -5.578 49 HE2 PHE 6 HE2 PHE 6 1.781 5.239 -4.062 50 HZ PHE 6 HZ PHE 6 0.259 3.315 -4.424 51 H SER 7 H SER 7 8.444 3.374 -4.341 52 HA SER 7 HA SER 7 10.199 1.490 -5.657 53 HB2 SER 7 2HB SER 7 9.535 2.751 -7.648 54 HB3 SER 7 3HB SER 7 9.954 4.266 -6.854 55 HG SER 7 HG SER 7 11.695 3.651 -8.085 56 H LYS 8 H LYS 8 12.346 1.762 -4.939 57 HA LYS 8 HA LYS 8 12.687 3.154 -2.461 58 HB2 LYS 8 2HB LYS 8 14.660 1.898 -4.375 59 HB3 LYS 8 3HB LYS 8 15.132 2.574 -2.814 60 HG2 LYS 8 2HG LYS 8 13.558 1.066 -1.675 61 HG3 LYS 8 3HG LYS 8 13.069 0.391 -3.230 62 HD2 LYS 8 2HD LYS 8 15.331 -0.429 -3.630 63 HD3 LYS 8 3HD LYS 8 15.895 0.329 -2.139 64 HE2 LYS 8 2HE LYS 8 15.484 -2.053 -1.748 65 HE3 LYS 8 3HE LYS 8 14.312 -1.090 -0.848 66 HZ1 LYS 8 3HZ LYS 8 12.808 -1.379 -2.823 67 HZ2 LYS 8 1HZ LYS 8 13.098 -2.780 -1.910 68 HZ3 LYS 8 2HZ LYS 8 13.899 -2.551 -3.391 69 H GLY 9 H GLY 9 13.577 5.126 -1.988 70 HA2 GLY 9 2HA GLY 9 14.914 7.088 -2.449 71 HA3 GLY 9 3HA GLY 9 14.802 6.738 -4.173 72 H VAL 10 H VAL 10 11.780 6.178 -3.391 73 HA VAL 10 HA VAL 10 10.923 9.039 -3.706 74 HB VAL 10 HB VAL 10 9.562 6.476 -4.578 75 HG11 VAL 10 1HG1 VAL 10 7.855 8.050 -4.020 76 HG12 VAL 10 2HG1 VAL 10 8.050 8.164 -5.769 77 HG13 VAL 10 3HG1 VAL 10 8.764 9.390 -4.720 78 HG21 VAL 10 3HG2 VAL 10 11.084 8.652 -6.031 79 HG22 VAL 10 1HG2 VAL 10 9.954 7.587 -6.868 80 HG23 VAL 10 2HG2 VAL 10 11.373 6.912 -6.067 81 H ALA 11 H ALA 11 9.768 9.882 -2.069 82 HA ALA 11 HA ALA 11 7.637 8.748 -0.683 83 HB1 ALA 11 3HB ALA 11 8.813 7.049 0.404 84 HB2 ALA 11 1HB ALA 11 8.989 8.344 1.585 85 HB3 ALA 11 2HB ALA 11 10.305 7.986 0.466 86 H GLU 12 H GLU 12 6.922 10.897 -0.684 87 HA GLU 12 HA GLU 12 7.790 12.562 1.512 88 HB2 GLU 12 2HB GLU 12 9.622 13.014 -0.148 89 HB3 GLU 12 3HB GLU 12 8.400 13.609 -1.272 90 HG2 GLU 12 2HG GLU 12 9.327 15.523 -0.124 91 HG3 GLU 12 3HG GLU 12 7.700 15.273 0.503 92 H THR 13 H THR 13 6.045 13.736 2.115 93 HA THR 13 HA THR 13 3.985 14.843 2.005 94 HB THR 13 HB THR 13 4.011 14.737 -1.011 95 HG1 THR 13 HG1 THR 13 5.291 16.891 -0.132 96 HG21 THR 13 3HG2 THR 13 3.411 17.056 0.819 97 HG22 THR 13 1HG2 THR 13 2.200 15.825 0.462 98 HG23 THR 13 2HG2 THR 13 2.876 16.801 -0.841 99 H VAL 14 H VAL 14 4.656 11.838 0.645 100 HA VAL 14 HA VAL 14 1.926 11.188 -0.184 101 HB VAL 14 HB VAL 14 4.170 9.249 0.396 102 HG11 VAL 14 1HG1 VAL 14 3.024 7.797 -1.085 103 HG12 VAL 14 2HG1 VAL 14 2.039 9.105 -1.739 104 HG13 VAL 14 3HG1 VAL 14 1.747 8.515 -0.106 105 HG21 VAL 14 3HG2 VAL 14 4.633 9.552 -2.115 106 HG22 VAL 14 1HG2 VAL 14 5.175 10.850 -1.051 107 HG23 VAL 14 2HG2 VAL 14 3.698 11.043 -1.994 108 H VAL 15 H VAL 15 0.344 10.397 1.135 109 HA VAL 15 HA VAL 15 1.087 9.145 3.739 110 HB VAL 15 HB VAL 15 -0.902 11.415 3.428 111 HG11 VAL 15 1HG1 VAL 15 -0.083 9.718 5.803 112 HG12 VAL 15 2HG1 VAL 15 -1.688 9.826 5.079 113 HG13 VAL 15 3HG1 VAL 15 -1.012 11.211 5.935 114 HG21 VAL 15 3HG2 VAL 15 0.687 12.589 4.973 115 HG22 VAL 15 1HG2 VAL 15 1.400 12.224 3.401 116 HG23 VAL 15 2HG2 VAL 15 1.799 11.230 4.802 117 HA PRO 16 HA PRO 16 -2.339 6.987 1.515 118 HB2 PRO 16 2HB PRO 16 -1.349 4.465 1.614 119 HB3 PRO 16 3HB PRO 16 -0.805 5.650 0.415 120 HG2 PRO 16 2HG PRO 16 0.538 4.740 2.912 121 HG3 PRO 16 3HG PRO 16 1.243 5.161 1.340 122 HD2 PRO 16 2HD PRO 16 1.169 6.855 3.570 123 HD3 PRO 16 3HD PRO 16 1.423 7.393 1.899 124 H GLU 17 H GLU 17 -4.091 5.881 2.403 125 HA GLU 17 HA GLU 17 -4.064 5.554 5.343 126 HB2 GLU 17 2HB GLU 17 -6.266 5.412 3.269 127 HB3 GLU 17 3HB GLU 17 -6.531 5.144 4.994 128 HG2 GLU 17 2HG GLU 17 -5.686 7.377 5.505 129 HG3 GLU 17 3HG GLU 17 -5.311 7.652 3.803 130 H VAL 18 H VAL 18 -4.855 3.544 6.321 131 HA VAL 18 HA VAL 18 -4.188 1.128 4.659 132 HB VAL 18 HB VAL 18 -4.037 1.592 7.649 133 HG11 VAL 18 1HG1 VAL 18 -4.649 -0.685 7.361 134 HG12 VAL 18 2HG1 VAL 18 -2.897 -0.704 7.553 135 HG13 VAL 18 3HG1 VAL 18 -3.609 -0.867 5.948 136 HG21 VAL 18 3HG2 VAL 18 -1.610 1.321 7.296 137 HG22 VAL 18 1HG2 VAL 18 -2.235 2.664 6.339 138 HG23 VAL 18 2HG2 VAL 18 -1.880 1.120 5.564 139 H ARG 19 H ARG 19 -5.801 -0.316 4.343 140 HA ARG 19 HA ARG 19 -8.201 -0.249 6.140 141 HB2 ARG 19 2HB ARG 19 -8.692 0.950 4.016 142 HB3 ARG 19 3HB ARG 19 -8.237 -0.496 3.118 143 HG2 ARG 19 2HG ARG 19 -10.023 -1.769 4.205 144 HG3 ARG 19 3HG ARG 19 -10.456 -0.366 5.180 145 HD2 ARG 19 2HD ARG 19 -11.036 0.888 3.153 146 HD3 ARG 19 3HD ARG 19 -10.548 -0.478 2.151 147 HE ARG 19 HE ARG 19 -12.545 -1.618 2.782 148 HH11 ARG 19 1HH2 ARG 19 -12.015 1.282 4.583 149 HH12 ARG 19 2HH2 ARG 19 -13.615 1.317 5.244 150 HH21 ARG 19 1HH1 ARG 19 -14.628 -1.589 3.647 151 HH22 ARG 19 2HH1 ARG 19 -15.092 -0.308 4.717 152 H LEU 20 H LEU 20 -9.073 -2.273 6.573 153 HA LEU 20 HA LEU 20 -7.474 -4.618 5.621 154 HB2 LEU 20 2HB LEU 20 -9.406 -4.401 7.948 155 HB3 LEU 20 3HB LEU 20 -8.348 -5.767 7.590 156 HG LEU 20 HG LEU 20 -7.431 -2.952 8.253 157 HD11 LEU 20 1HD1 LEU 20 -7.137 -5.490 9.879 158 HD12 LEU 20 2HD1 LEU 20 -8.428 -4.315 10.138 159 HD13 LEU 20 3HD1 LEU 20 -6.744 -3.844 10.378 160 HD21 LEU 20 3HD2 LEU 20 -5.724 -3.815 6.892 161 HD22 LEU 20 1HD2 LEU 20 -5.990 -5.473 7.433 162 HD23 LEU 20 2HD2 LEU 20 -5.194 -4.311 8.494 163 H SER 21 H SER 21 -8.435 -6.114 4.330 164 HA SER 21 HA SER 21 -11.420 -6.043 4.013 165 HB2 SER 21 2HB SER 21 -9.301 -6.227 1.859 166 HB3 SER 21 3HB SER 21 -11.011 -6.554 1.585 167 HG SER 21 HG SER 21 -9.681 -4.160 2.029 168 H LYS 22 H LYS 22 -12.356 -8.080 3.430 169 HA LYS 22 HA LYS 22 -10.629 -10.437 4.112 170 HB2 LYS 22 2HB LYS 22 -13.645 -10.160 4.235 171 HB3 LYS 22 3HB LYS 22 -12.700 -11.540 4.797 172 HG2 LYS 22 2HG LYS 22 -12.453 -8.717 5.884 173 HG3 LYS 22 3HG LYS 22 -13.359 -10.014 6.658 174 HD2 LYS 22 2HD LYS 22 -11.133 -11.349 6.562 175 HD3 LYS 22 3HD LYS 22 -10.372 -9.786 6.256 176 HE2 LYS 22 2HE LYS 22 -12.161 -10.366 8.630 177 HE3 LYS 22 3HE LYS 22 -10.398 -10.385 8.677 178 HZ1 LYS 22 3HZ LYS 22 -10.484 -8.214 9.026 179 HZ2 LYS 22 1HZ LYS 22 -12.160 -8.167 8.769 180 HZ3 LYS 22 2HZ LYS 22 -11.095 -8.016 7.454 181 H SER 23 H SER 23 -10.601 -12.195 2.741 182 HA SER 23 HA SER 23 -11.181 -11.663 -0.039 183 HB2 SER 23 2HB SER 23 -10.322 -14.196 1.375 184 HB3 SER 23 3HB SER 23 -10.389 -14.004 -0.375 185 HG SER 23 HG SER 23 -8.993 -12.171 1.254 186 H LYS 24 H LYS 24 -12.581 -12.863 -1.405 187 HA LYS 24 HA LYS 24 -15.245 -12.997 -0.824 188 HB2 LYS 24 2HB LYS 24 -15.363 -14.848 -2.593 189 HB3 LYS 24 3HB LYS 24 -14.561 -13.351 -3.072 190 HG2 LYS 24 2HG LYS 24 -12.358 -14.388 -2.527 191 HG3 LYS 24 3HG LYS 24 -13.189 -15.895 -2.141 192 HD2 LYS 24 2HD LYS 24 -14.114 -15.929 -4.458 193 HD3 LYS 24 3HD LYS 24 -13.169 -14.486 -4.824 194 HE2 LYS 24 2HE LYS 24 -11.976 -17.096 -3.847 195 HE3 LYS 24 3HE LYS 24 -12.044 -16.608 -5.540 196 HZ1 LYS 24 3HZ LYS 24 -9.917 -16.049 -4.526 197 HZ2 LYS 24 1HZ LYS 24 -10.703 -15.094 -3.365 198 HZ3 LYS 24 2HZ LYS 24 -10.753 -14.648 -5.004 199 H ASN 25 H ASN 25 -16.547 -14.161 0.459 200 HA ASN 25 HA ASN 25 -17.304 -15.799 1.938 201 HB2 ASN 25 2HB ASN 25 -16.969 -17.190 -0.170 202 HB3 ASN 25 3HB ASN 25 -15.421 -17.692 0.514 203 HD21 ASN 25 1HD2 ASN 25 -18.947 -17.672 1.231 204 HD22 ASN 25 2HD2 ASN 25 -18.901 -19.030 2.249 205 H GLY 26 H GLY 26 -14.799 -14.243 2.494 206 HA2 GLY 26 2HA GLY 26 -12.965 -14.276 3.989 207 HA3 GLY 26 3HA GLY 26 -14.149 -15.049 5.036 208 H GLN 27 H GLN 27 -12.295 -16.104 2.161 209 HA GLN 27 HA GLN 27 -11.655 -18.641 3.615 210 HB2 GLN 27 2HB GLN 27 -12.790 -18.846 1.416 211 HB3 GLN 27 3HB GLN 27 -11.452 -17.981 0.661 212 HG2 GLN 27 2HG GLN 27 -9.897 -19.733 1.238 213 HG3 GLN 27 3HG GLN 27 -11.104 -20.544 2.239 214 HE21 GLN 27 1HE2 GLN 27 -11.582 -22.447 1.105 215 HE22 GLN 27 2HE2 GLN 27 -12.020 -22.502 -0.533 216 H SER 28 H SER 28 -10.296 -15.668 2.669 217 HA SER 28 HA SER 28 -7.623 -16.607 3.497 218 HB2 SER 28 2HB SER 28 -6.573 -15.570 1.445 219 HB3 SER 28 3HB SER 28 -7.473 -17.050 1.137 220 HG SER 28 HG SER 28 -7.879 -14.560 0.187 221 H GLY 29 H GLY 29 -6.142 -14.763 3.855 222 HA2 GLY 29 2HA GLY 29 -7.625 -12.431 4.880 223 HA3 GLY 29 3HA GLY 29 -5.915 -12.769 5.134 224 H MET 30 H MET 30 -7.305 -10.284 4.162 225 HA MET 30 HA MET 30 -5.476 -9.775 1.904 226 HB2 MET 30 2HB MET 30 -7.595 -10.624 0.858 227 HB3 MET 30 3HB MET 30 -8.452 -9.278 1.611 228 HG2 MET 30 2HG MET 30 -7.153 -7.664 0.384 229 HG3 MET 30 3HG MET 30 -6.064 -8.916 -0.218 230 HE1 MET 30 3HE MET 30 -9.011 -6.750 -0.981 231 HE2 MET 30 1HE MET 30 -9.752 -7.917 0.123 232 HE3 MET 30 2HE MET 30 -10.279 -7.832 -1.556 233 H ALA 31 H ALA 31 -5.308 -7.449 1.456 234 HA ALA 31 HA ALA 31 -6.560 -5.635 3.455 235 HB1 ALA 31 3HB ALA 31 -3.560 -5.864 3.030 236 HB2 ALA 31 1HB ALA 31 -4.429 -6.339 4.489 237 HB3 ALA 31 2HB ALA 31 -4.361 -4.641 4.016 238 H LYS 32 H LYS 32 -6.602 -3.447 2.696 239 HA LYS 32 HA LYS 32 -5.809 -3.108 -0.186 240 HB2 LYS 32 2HB LYS 32 -8.191 -1.993 1.312 241 HB3 LYS 32 3HB LYS 32 -7.739 -1.529 -0.331 242 HG2 LYS 32 2HG LYS 32 -7.938 -3.888 -1.044 243 HG3 LYS 32 3HG LYS 32 -8.422 -4.336 0.594 244 HD2 LYS 32 2HD LYS 32 -10.377 -2.840 0.428 245 HD3 LYS 32 3HD LYS 32 -9.898 -2.399 -1.212 246 HE2 LYS 32 2HE LYS 32 -10.102 -4.761 -1.906 247 HE3 LYS 32 3HE LYS 32 -10.602 -5.191 -0.271 248 HZ1 LYS 32 3HZ LYS 32 -12.646 -4.814 -1.037 249 HZ2 LYS 32 1HZ LYS 32 -12.103 -3.928 -2.377 250 HZ3 LYS 32 2HZ LYS 32 -12.266 -3.168 -0.867 251 H PHE 33 H PHE 33 -4.868 -1.163 -0.762 252 HA PHE 33 HA PHE 33 -4.155 0.714 1.474 253 HB2 PHE 33 2HB PHE 33 -2.520 -0.316 -0.854 254 HB3 PHE 33 3HB PHE 33 -2.079 1.150 0.021 255 HD1 PHE 33 HD1 PHE 33 -2.465 -2.511 0.249 256 HD2 PHE 33 HD2 PHE 33 -1.314 1.068 2.322 257 HE1 PHE 33 HE1 PHE 33 -1.421 -3.881 2.033 258 HE2 PHE 33 HE2 PHE 33 -0.268 -0.298 4.105 259 HZ PHE 33 HZ PHE 33 -0.320 -2.773 3.961 260 H TYR 34 H TYR 34 -4.532 2.857 1.066 261 HA TYR 34 HA TYR 34 -5.520 3.597 -1.678 262 HB2 TYR 34 2HB TYR 34 -7.301 3.619 0.060 263 HB3 TYR 34 3HB TYR 34 -6.346 4.771 0.994 264 HD1 TYR 34 HD2 TYR 34 -8.062 4.249 -2.268 265 HD2 TYR 34 HD1 TYR 34 -6.324 7.088 0.447 266 HE1 TYR 34 HE2 TYR 34 -8.974 6.109 -3.630 267 HE2 TYR 34 HE1 TYR 34 -7.235 8.949 -0.915 268 HH TYR 34 HH TYR 34 -8.112 9.453 -2.979 269 H PHE 35 H PHE 35 -4.313 5.133 -2.657 270 HA PHE 35 HA PHE 35 -2.391 6.731 -0.994 271 HB2 PHE 35 2HB PHE 35 -2.349 5.821 -3.880 272 HB3 PHE 35 3HB PHE 35 -1.259 7.064 -3.263 273 HD1 PHE 35 HD1 PHE 35 -2.323 3.525 -2.842 274 HD2 PHE 35 HD2 PHE 35 0.623 6.510 -1.921 275 HE1 PHE 35 HE1 PHE 35 -0.840 1.772 -1.908 276 HE2 PHE 35 HE2 PHE 35 2.105 4.761 -0.989 277 HZ PHE 35 HZ PHE 35 1.375 2.389 -0.981 278 H LEU 36 H LEU 36 -2.942 8.836 -0.751 279 HA LEU 36 HA LEU 36 -4.998 10.009 -2.533 280 HB2 LEU 36 2HB LEU 36 -5.320 10.290 -0.132 281 HB3 LEU 36 3HB LEU 36 -3.719 11.007 0.029 282 HG LEU 36 HG LEU 36 -4.392 12.923 -1.325 283 HD11 LEU 36 1HD1 LEU 36 -6.960 13.022 -1.858 284 HD12 LEU 36 2HD1 LEU 36 -6.878 11.265 -1.743 285 HD13 LEU 36 3HD1 LEU 36 -5.899 12.119 -2.936 286 HD21 LEU 36 3HD2 LEU 36 -4.892 12.940 1.105 287 HD22 LEU 36 1HD2 LEU 36 -6.487 12.261 0.769 288 HD23 LEU 36 2HD2 LEU 36 -6.075 13.876 0.190 289 H GLU 37 H GLU 37 -4.449 11.321 -4.178 290 HA GLU 37 HA GLU 37 -3.023 12.443 -5.688 291 HB2 GLU 37 2HB GLU 37 -2.702 13.877 -3.046 292 HB3 GLU 37 3HB GLU 37 -2.008 14.497 -4.545 293 HG2 GLU 37 2HG GLU 37 -4.149 14.733 -5.564 294 HG3 GLU 37 3HG GLU 37 -4.930 13.749 -4.327 295 HA PRO 38 HA PRO 38 0.765 10.067 -4.285 296 HB2 PRO 38 2HB PRO 38 0.676 9.207 -7.133 297 HB3 PRO 38 3HB PRO 38 0.846 8.225 -5.669 298 HG2 PRO 38 2HG PRO 38 -1.427 8.265 -7.096 299 HG3 PRO 38 3HG PRO 38 -1.428 8.097 -5.333 300 HD2 PRO 38 2HD PRO 38 -2.062 10.514 -6.991 301 HD3 PRO 38 3HD PRO 38 -2.802 9.965 -5.471 302 H THR 39 H THR 39 2.875 10.754 -4.643 303 HA THR 39 HA THR 39 3.235 13.148 -6.317 304 HB THR 39 HB THR 39 5.563 13.074 -5.300 305 HG1 THR 39 HG1 THR 39 5.147 10.681 -4.896 306 HG21 THR 39 3HG2 THR 39 3.199 13.006 -3.403 307 HG22 THR 39 1HG2 THR 39 3.733 14.409 -4.326 308 HG23 THR 39 2HG2 THR 39 4.766 13.740 -3.062 309 H ILE 40 H ILE 40 3.773 9.759 -6.576 310 HA ILE 40 HA ILE 40 6.037 9.845 -8.365 311 HB ILE 40 HB ILE 40 5.269 7.832 -7.039 312 HG12 ILE 40 2HG1 ILE 40 5.378 7.211 -10.000 313 HG13 ILE 40 3HG1 ILE 40 6.796 7.779 -9.119 314 HG21 ILE 40 1HG2 ILE 40 3.228 7.532 -9.259 315 HG22 ILE 40 2HG2 ILE 40 2.833 8.169 -7.663 316 HG23 ILE 40 3HG2 ILE 40 3.422 6.516 -7.831 317 HD11 ILE 40 3HD1 ILE 40 6.678 5.294 -9.227 318 HD12 ILE 40 1HD1 ILE 40 5.148 5.352 -8.355 319 HD13 ILE 40 2HD1 ILE 40 6.630 5.897 -7.571 320 H LEU 41 H LEU 41 3.038 11.092 -8.829 321 HA LEU 41 HA LEU 41 2.584 10.157 -11.577 322 HB2 LEU 41 2HB LEU 41 1.326 12.363 -9.926 323 HB3 LEU 41 3HB LEU 41 0.817 11.965 -11.562 324 HG LEU 41 HG LEU 41 0.906 9.930 -9.322 325 HD11 LEU 41 1HD1 LEU 41 -0.663 11.590 -8.601 326 HD12 LEU 41 2HD1 LEU 41 -1.616 10.279 -9.297 327 HD13 LEU 41 3HD1 LEU 41 -1.333 11.751 -10.225 328 HD21 LEU 41 3HD2 LEU 41 -0.922 8.940 -10.954 329 HD22 LEU 41 1HD2 LEU 41 0.783 8.728 -11.334 330 HD23 LEU 41 2HD2 LEU 41 -0.152 9.978 -12.149 331 H ALA 42 H ALA 42 4.687 12.331 -10.128 332 HA ALA 42 HA ALA 42 4.757 14.183 -12.458 333 HB1 ALA 42 3HB ALA 42 4.905 15.237 -10.270 334 HB2 ALA 42 1HB ALA 42 6.468 15.386 -11.071 335 HB3 ALA 42 2HB ALA 42 6.234 14.175 -9.811 336 H LYS 43 H LYS 43 6.439 11.473 -11.062 337 HA LYS 43 HA LYS 43 8.772 11.870 -12.881 338 HB2 LYS 43 2HB LYS 43 9.037 11.271 -10.406 339 HB3 LYS 43 3HB LYS 43 8.405 9.681 -10.832 340 HG2 LYS 43 2HG LYS 43 10.209 9.358 -12.449 341 HG3 LYS 43 3HG LYS 43 10.812 10.981 -12.133 342 HD2 LYS 43 2HD LYS 43 11.211 10.358 -9.766 343 HD3 LYS 43 3HD LYS 43 10.665 8.719 -10.121 344 HE2 LYS 43 2HE LYS 43 13.011 10.107 -11.454 345 HE3 LYS 43 3HE LYS 43 13.135 8.882 -10.189 346 HZ1 LYS 43 3HZ LYS 43 12.432 8.587 -12.996 347 HZ2 LYS 43 1HZ LYS 43 11.566 7.622 -11.904 348 HZ3 LYS 43 2HZ LYS 43 13.262 7.523 -11.965 349 H GLU 44 H GLU 44 7.065 8.919 -11.814 350 HA GLU 44 HA GLU 44 7.139 7.946 -14.643 351 HB2 GLU 44 2HB GLU 44 6.894 6.490 -12.003 352 HB3 GLU 44 3HB GLU 44 6.745 5.699 -13.575 353 HG2 GLU 44 2HG GLU 44 9.000 6.442 -14.185 354 HG3 GLU 44 3HG GLU 44 9.150 7.293 -12.650 355 H SER 45 H SER 45 5.254 6.753 -15.422 356 HA SER 45 HA SER 45 2.762 8.117 -14.720 357 HB2 SER 45 2HB SER 45 3.554 6.071 -16.786 358 HB3 SER 45 3HB SER 45 1.864 6.505 -16.540 359 HG SER 45 HG SER 45 2.470 8.683 -16.915 360 H THR 46 H THR 46 0.734 6.748 -14.461 361 HA THR 46 HA THR 46 0.981 5.074 -12.144 362 HB THR 46 HB THR 46 -1.455 4.622 -12.560 363 HG1 THR 46 HG1 THR 46 -0.831 6.108 -14.888 364 HG21 THR 46 3HG2 THR 46 -2.159 6.959 -12.278 365 HG22 THR 46 1HG2 THR 46 -0.595 7.510 -12.877 366 HG23 THR 46 2HG2 THR 46 -0.695 6.641 -11.346 367 H ASP 47 H ASP 47 0.600 4.387 -15.597 368 HA ASP 47 HA ASP 47 0.233 1.537 -15.271 369 HB2 ASP 47 2HB ASP 47 -0.332 2.952 -17.334 370 HB3 ASP 47 3HB ASP 47 1.391 2.908 -17.704 371 H ASP 48 H ASP 48 2.976 3.653 -15.298 372 HA ASP 48 HA ASP 48 4.946 1.597 -15.900 373 HB2 ASP 48 2HB ASP 48 5.170 4.373 -14.706 374 HB3 ASP 48 3HB ASP 48 6.561 3.355 -15.079 375 H ILE 49 H ILE 49 3.025 2.176 -13.211 376 HA ILE 49 HA ILE 49 5.060 1.405 -11.211 377 HB ILE 49 HB ILE 49 2.074 1.863 -10.961 378 HG12 ILE 49 2HG1 ILE 49 4.396 3.568 -10.009 379 HG13 ILE 49 3HG1 ILE 49 3.539 3.854 -11.526 380 HG21 ILE 49 1HG2 ILE 49 2.709 0.387 -9.195 381 HG22 ILE 49 2HG2 ILE 49 2.722 1.994 -8.478 382 HG23 ILE 49 3HG2 ILE 49 4.237 1.226 -8.943 383 HD11 ILE 49 3HD1 ILE 49 2.420 3.975 -8.719 384 HD12 ILE 49 1HD1 ILE 49 1.391 3.931 -10.150 385 HD13 ILE 49 2HD1 ILE 49 2.502 5.278 -9.904 386 H THR 50 H THR 50 1.793 0.115 -11.258 387 HA THR 50 HA THR 50 0.988 -2.078 -11.310 388 HB THR 50 HB THR 50 3.615 -2.986 -12.500 389 HG1 THR 50 HG1 THR 50 2.319 -2.443 -14.516 390 HG21 THR 50 3HG2 THR 50 2.208 -4.588 -13.637 391 HG22 THR 50 1HG2 THR 50 0.750 -3.778 -13.066 392 HG23 THR 50 2HG2 THR 50 1.799 -4.618 -11.922 393 H GLY 51 H GLY 51 4.375 -1.736 -10.296 394 HA2 GLY 51 2HA GLY 51 3.987 -3.883 -8.267 395 HA3 GLY 51 3HA GLY 51 5.543 -3.262 -8.804 396 H MET 52 H MET 52 4.239 -3.458 -6.079 397 HA MET 52 HA MET 52 4.649 -0.592 -5.276 398 HB2 MET 52 2HB MET 52 2.255 -1.268 -5.073 399 HB3 MET 52 3HB MET 52 2.743 -2.588 -4.008 400 HG2 MET 52 2HG MET 52 3.587 -1.049 -2.359 401 HG3 MET 52 3HG MET 52 3.390 0.318 -3.456 402 HE1 MET 52 3HE MET 52 0.277 -1.859 -0.948 403 HE2 MET 52 1HE MET 52 2.032 -1.784 -0.755 404 HE3 MET 52 2HE MET 52 1.328 -2.749 -2.049 405 H TYR 53 H TYR 53 6.266 -0.368 -3.796 406 HA TYR 53 HA TYR 53 7.428 -2.856 -2.614 407 HB2 TYR 53 2HB TYR 53 8.531 -0.091 -3.142 408 HB3 TYR 53 3HB TYR 53 9.381 -1.268 -2.136 409 HD1 TYR 53 HD1 TYR 53 7.904 -0.746 -5.524 410 HD2 TYR 53 HD2 TYR 53 10.627 -3.030 -3.112 411 HE1 TYR 53 HE1 TYR 53 8.770 -1.864 -7.561 412 HE2 TYR 53 HE2 TYR 53 11.495 -4.147 -5.149 413 HH TYR 53 HH TYR 53 11.513 -3.299 -7.842 414 H LEU 54 H LEU 54 6.936 -3.262 -0.564 415 HA LEU 54 HA LEU 54 6.090 -1.033 1.231 416 HB2 LEU 54 2HB LEU 54 5.666 -4.026 1.271 417 HB3 LEU 54 3HB LEU 54 5.335 -3.026 2.683 418 HG LEU 54 HG LEU 54 4.166 -2.307 -0.011 419 HD11 LEU 54 1HD1 LEU 54 3.399 -4.549 0.229 420 HD12 LEU 54 2HD1 LEU 54 2.080 -3.547 0.835 421 HD13 LEU 54 3HD1 LEU 54 3.161 -4.362 1.966 422 HD21 LEU 54 3HD2 LEU 54 3.414 -1.787 2.886 423 HD22 LEU 54 1HD2 LEU 54 2.344 -1.418 1.539 424 HD23 LEU 54 2HD2 LEU 54 3.897 -0.605 1.676 425 H ILE 55 H ILE 55 7.748 -0.251 2.419 426 HA ILE 55 HA ILE 55 9.999 -2.063 3.156 427 HB ILE 55 HB ILE 55 9.650 0.950 3.250 428 HG12 ILE 55 2HG1 ILE 55 11.521 0.828 1.564 429 HG13 ILE 55 3HG1 ILE 55 11.353 -0.925 1.577 430 HG21 ILE 55 1HG2 ILE 55 11.049 0.468 5.100 431 HG22 ILE 55 2HG2 ILE 55 12.168 0.836 3.789 432 HG23 ILE 55 3HG2 ILE 55 11.868 -0.840 4.248 433 HD11 ILE 55 3HD1 ILE 55 10.073 0.579 -0.220 434 HD12 ILE 55 1HD1 ILE 55 8.881 0.695 1.075 435 HD13 ILE 55 2HD1 ILE 55 9.344 -0.882 0.439 436 H ASP 56 H ASP 56 9.376 -3.181 4.960 437 HA ASP 56 HA ASP 56 7.944 -1.776 7.143 438 HB2 ASP 56 2HB ASP 56 8.600 -4.676 6.603 439 HB3 ASP 56 3HB ASP 56 7.890 -4.132 8.124 440 H ASP 57 H ASP 57 8.706 -2.577 9.410 441 HA ASP 57 HA ASP 57 11.310 -1.489 9.889 442 HB2 ASP 57 2HB ASP 57 9.376 -1.589 11.524 443 HB3 ASP 57 3HB ASP 57 9.734 -3.303 11.730 444 H GLU 58 H GLU 58 10.122 -4.813 9.567 445 HA GLU 58 HA GLU 58 12.773 -5.928 10.223 446 HB2 GLU 58 2HB GLU 58 10.216 -7.247 9.266 447 HB3 GLU 58 3HB GLU 58 11.675 -8.112 9.746 448 HG2 GLU 58 2HG GLU 58 10.143 -6.212 11.543 449 HG3 GLU 58 3HG GLU 58 9.980 -7.968 11.581 450 H GLY 59 H GLY 59 10.675 -6.799 7.497 451 HA2 GLY 59 2HA GLY 59 13.015 -6.433 5.644 452 HA3 GLY 59 3HA GLY 59 11.922 -7.813 5.534 453 H GLU 60 H GLU 60 11.146 -7.325 3.453 454 HA GLU 60 HA GLU 60 9.237 -5.040 3.350 455 HB2 GLU 60 2HB GLU 60 10.054 -4.398 1.112 456 HB3 GLU 60 3HB GLU 60 11.328 -4.231 2.319 457 HG2 GLU 60 2HG GLU 60 12.220 -6.454 1.664 458 HG3 GLU 60 3HG GLU 60 10.978 -6.573 0.417 459 H ILE 61 H ILE 61 7.564 -5.344 1.793 460 HA ILE 61 HA ILE 61 7.294 -8.149 0.753 461 HB ILE 61 HB ILE 61 5.169 -6.271 1.825 462 HG12 ILE 61 2HG1 ILE 61 6.058 -9.005 2.782 463 HG13 ILE 61 3HG1 ILE 61 6.645 -7.493 3.472 464 HG21 ILE 61 1HG2 ILE 61 3.689 -8.312 1.439 465 HG22 ILE 61 2HG2 ILE 61 5.000 -8.968 0.459 466 HG23 ILE 61 3HG2 ILE 61 4.208 -7.467 -0.019 467 HD11 ILE 61 3HD1 ILE 61 3.803 -8.530 3.461 468 HD12 ILE 61 1HD1 ILE 61 4.214 -6.866 3.879 469 HD13 ILE 61 2HD1 ILE 61 4.825 -8.198 4.860 470 H ILE 62 H ILE 62 6.894 -8.300 -1.407 471 HA ILE 62 HA ILE 62 6.495 -5.741 -2.922 472 HB ILE 62 HB ILE 62 7.462 -8.426 -3.936 473 HG12 ILE 62 2HG1 ILE 62 9.063 -7.631 -2.302 474 HG13 ILE 62 3HG1 ILE 62 9.728 -7.323 -3.904 475 HG21 ILE 62 1HG2 ILE 62 7.485 -5.626 -5.100 476 HG22 ILE 62 2HG2 ILE 62 6.557 -7.008 -5.685 477 HG23 ILE 62 3HG2 ILE 62 8.315 -7.008 -5.817 478 HD11 ILE 62 3HD1 ILE 62 8.579 -5.366 -1.926 479 HD12 ILE 62 1HD1 ILE 62 8.607 -4.971 -3.645 480 HD13 ILE 62 2HD1 ILE 62 10.114 -5.296 -2.791 481 H THR 63 H THR 63 4.604 -5.449 -3.939 482 HA THR 63 HA THR 63 2.823 -7.819 -4.422 483 HB THR 63 HB THR 63 2.082 -5.005 -3.571 484 HG1 THR 63 HG1 THR 63 2.454 -5.986 -1.740 485 HG21 THR 63 3HG2 THR 63 -0.247 -6.044 -3.495 486 HG22 THR 63 1HG2 THR 63 0.416 -7.366 -4.454 487 HG23 THR 63 2HG2 THR 63 0.406 -5.726 -5.103 488 H ARG 64 H ARG 64 2.266 -8.067 -6.507 489 HA ARG 64 HA ARG 64 2.890 -5.891 -8.435 490 HB2 ARG 64 2HB ARG 64 2.106 -8.784 -8.882 491 HB3 ARG 64 3HB ARG 64 2.583 -7.650 -10.144 492 HG2 ARG 64 2HG ARG 64 4.421 -8.146 -7.802 493 HG3 ARG 64 3HG ARG 64 4.380 -9.292 -9.138 494 HD2 ARG 64 2HD ARG 64 4.959 -6.321 -9.373 495 HD3 ARG 64 3HD ARG 64 6.139 -7.618 -9.505 496 HE ARG 64 HE ARG 64 4.192 -6.849 -11.560 497 HH11 ARG 64 1HH2 ARG 64 6.309 -9.237 -10.253 498 HH12 ARG 64 2HH2 ARG 64 6.473 -10.101 -11.744 499 HH21 ARG 64 1HH1 ARG 64 4.389 -7.968 -13.516 500 HH22 ARG 64 2HH1 ARG 64 5.386 -9.383 -13.591 501 H GLU 65 H GLU 65 0.333 -6.942 -6.612 502 HA GLU 65 HA GLU 65 -1.770 -6.526 -8.634 503 HB2 GLU 65 2HB GLU 65 -1.847 -7.063 -5.655 504 HB3 GLU 65 3HB GLU 65 -3.293 -6.847 -6.644 505 HG2 GLU 65 2HG GLU 65 -2.638 -8.739 -8.056 506 HG3 GLU 65 3HG GLU 65 -1.148 -8.935 -7.132 507 H VAL 66 H VAL 66 -1.213 -4.303 -9.169 508 HA VAL 66 HA VAL 66 -2.129 -2.322 -7.103 509 HB VAL 66 HB VAL 66 0.104 -2.100 -9.137 510 HG11 VAL 66 1HG1 VAL 66 -1.006 0.005 -9.247 511 HG12 VAL 66 2HG1 VAL 66 0.327 0.247 -8.120 512 HG13 VAL 66 3HG1 VAL 66 -1.314 0.020 -7.510 513 HG21 VAL 66 3HG2 VAL 66 0.476 -3.180 -6.847 514 HG22 VAL 66 1HG2 VAL 66 0.144 -1.592 -6.155 515 HG23 VAL 66 2HG2 VAL 66 1.520 -1.814 -7.235 516 H LYS 67 H LYS 67 -3.751 -1.000 -7.789 517 HA LYS 67 HA LYS 67 -4.381 -0.910 -10.725 518 HB2 LYS 67 2HB LYS 67 -6.285 -1.188 -8.383 519 HB3 LYS 67 3HB LYS 67 -6.794 -0.833 -10.036 520 HG2 LYS 67 2HG LYS 67 -5.685 -2.925 -10.800 521 HG3 LYS 67 3HG LYS 67 -5.266 -3.292 -9.127 522 HD2 LYS 67 2HD LYS 67 -8.091 -2.898 -10.160 523 HD3 LYS 67 3HD LYS 67 -7.337 -4.464 -9.860 524 HE2 LYS 67 2HE LYS 67 -8.361 -4.202 -7.807 525 HE3 LYS 67 3HE LYS 67 -6.890 -3.302 -7.447 526 HZ1 LYS 67 3HZ LYS 67 -9.591 -2.351 -7.867 527 HZ2 LYS 67 1HZ LYS 67 -8.388 -1.429 -8.627 528 HZ3 LYS 67 2HZ LYS 67 -8.331 -1.679 -6.948 529 H GLY 68 H GLY 68 -4.823 1.114 -11.508 530 HA2 GLY 68 2HA GLY 68 -4.442 3.385 -9.638 531 HA3 GLY 68 3HA GLY 68 -4.405 3.476 -11.395 532 H LYS 69 H LYS 69 -6.038 4.831 -9.145 533 HA LYS 69 HA LYS 69 -8.778 4.266 -10.218 534 HB2 LYS 69 2HB LYS 69 -7.789 5.501 -7.642 535 HB3 LYS 69 3HB LYS 69 -9.455 5.685 -8.185 536 HG2 LYS 69 2HG LYS 69 -9.797 3.296 -8.182 537 HG3 LYS 69 3HG LYS 69 -8.084 3.001 -7.879 538 HD2 LYS 69 2HD LYS 69 -9.437 2.772 -5.813 539 HD3 LYS 69 3HD LYS 69 -8.266 4.085 -5.685 540 HE2 LYS 69 2HE LYS 69 -9.908 5.742 -5.918 541 HE3 LYS 69 3HE LYS 69 -11.072 4.626 -6.638 542 HZ1 LYS 69 3HZ LYS 69 -11.068 5.358 -4.063 543 HZ2 LYS 69 1HZ LYS 69 -10.174 3.920 -3.982 544 HZ3 LYS 69 2HZ LYS 69 -11.741 3.908 -4.641 545 H PHE 70 H PHE 70 -9.051 5.543 -11.958 546 HA PHE 70 HA PHE 70 -8.044 8.342 -11.951 547 HB2 PHE 70 2HB PHE 70 -9.321 6.714 -14.166 548 HB3 PHE 70 3HB PHE 70 -8.573 8.300 -14.347 549 HD1 PHE 70 HD1 PHE 70 -6.128 8.577 -14.097 550 HD2 PHE 70 HD2 PHE 70 -7.997 4.714 -13.920 551 HE1 PHE 70 HE1 PHE 70 -3.919 7.490 -14.417 552 HE2 PHE 70 HE2 PHE 70 -5.790 3.629 -14.240 553 HZ PHE 70 HZ PHE 70 -3.752 5.019 -14.488 554 H ILE 71 H ILE 71 -9.461 10.087 -12.238 555 HA ILE 71 HA ILE 71 -12.398 9.502 -12.027 556 HB ILE 71 HB ILE 71 -10.779 11.651 -10.635 557 HG12 ILE 71 2HG1 ILE 71 -10.619 9.415 -9.622 558 HG13 ILE 71 3HG1 ILE 71 -11.523 10.505 -8.577 559 HG21 ILE 71 1HG2 ILE 71 -13.764 11.201 -10.813 560 HG22 ILE 71 2HG2 ILE 71 -12.858 12.650 -11.252 561 HG23 ILE 71 3HG2 ILE 71 -13.014 12.187 -9.558 562 HD11 ILE 71 3HD1 ILE 71 -12.434 8.111 -10.100 563 HD12 ILE 71 1HD1 ILE 71 -13.583 9.439 -9.961 564 HD13 ILE 71 2HD1 ILE 71 -12.933 8.688 -8.511 565 H ASN 72 H ASN 72 -13.653 10.605 -13.447 566 HA ASN 72 HA ASN 72 -12.814 11.652 -15.825 567 HB2 ASN 72 2HB ASN 72 -14.918 13.106 -15.761 568 HB3 ASN 72 3HB ASN 72 -15.155 11.381 -15.473 569 HD21 ASN 72 1HD2 ASN 72 -17.094 11.784 -14.173 570 HD22 ASN 72 2HD2 ASN 72 -16.981 12.436 -12.610 571 H GLY 73 H GLY 73 -10.923 12.876 -15.695 572 HA2 GLY 73 2HA GLY 73 -10.795 15.536 -15.920 573 HA3 GLY 73 3HA GLY 73 -10.926 15.412 -14.162 574 H ARG 74 H ARG 74 -9.343 13.522 -13.322 575 HA ARG 74 HA ARG 74 -6.901 13.094 -14.750 576 HB2 ARG 74 2HB ARG 74 -5.516 14.599 -13.112 577 HB3 ARG 74 3HB ARG 74 -6.294 15.348 -14.502 578 HG2 ARG 74 2HG ARG 74 -8.073 16.208 -13.185 579 HG3 ARG 74 3HG ARG 74 -7.683 15.154 -11.825 580 HD2 ARG 74 2HD ARG 74 -5.983 17.448 -12.855 581 HD3 ARG 74 3HD ARG 74 -6.920 17.439 -11.362 582 HE ARG 74 HE ARG 74 -4.314 16.235 -11.722 583 HH11 ARG 74 1HH2 ARG 74 -7.384 15.945 -10.176 584 HH12 ARG 74 2HH2 ARG 74 -6.766 15.064 -8.819 585 HH21 ARG 74 1HH1 ARG 74 -3.490 15.088 -9.958 586 HH22 ARG 74 2HH1 ARG 74 -4.561 14.579 -8.695 587 HA PRO 75 HA PRO 75 -6.348 9.932 -11.691 588 HB2 PRO 75 2HB PRO 75 -3.623 11.073 -11.163 589 HB3 PRO 75 3HB PRO 75 -4.094 9.396 -11.508 590 HG2 PRO 75 2HG PRO 75 -2.954 11.003 -13.357 591 HG3 PRO 75 3HG PRO 75 -4.106 9.726 -13.774 592 HD2 PRO 75 2HD PRO 75 -4.483 12.659 -13.864 593 HD3 PRO 75 3HD PRO 75 -5.413 11.377 -14.665 594 H THR 76 H THR 76 -7.092 9.919 -9.620 595 HA THR 76 HA THR 76 -6.566 12.306 -7.876 596 HB THR 76 HB THR 76 -8.679 11.512 -6.692 597 HG1 THR 76 HG1 THR 76 -8.800 9.448 -7.470 598 HG21 THR 76 3HG2 THR 76 -8.803 12.375 -9.590 599 HG22 THR 76 1HG2 THR 76 -8.746 13.426 -8.176 600 HG23 THR 76 2HG2 THR 76 -10.171 12.430 -8.479 601 H ALA 77 H ALA 77 -6.679 8.743 -8.007 602 HA ALA 77 HA ALA 77 -4.770 8.656 -5.782 603 HB1 ALA 77 3HB ALA 77 -6.701 8.872 -4.405 604 HB2 ALA 77 1HB ALA 77 -6.317 7.150 -4.407 605 HB3 ALA 77 2HB ALA 77 -7.632 7.763 -5.411 606 H ILE 78 H ILE 78 -4.290 6.329 -5.196 607 HA ILE 78 HA ILE 78 -4.764 4.462 -7.497 608 HB ILE 78 HB ILE 78 -2.145 5.045 -6.085 609 HG12 ILE 78 2HG1 ILE 78 -2.864 5.213 -9.024 610 HG13 ILE 78 3HG1 ILE 78 -2.930 6.596 -7.930 611 HG21 ILE 78 1HG2 ILE 78 -1.303 3.326 -7.831 612 HG22 ILE 78 2HG2 ILE 78 -2.985 2.811 -7.932 613 HG23 ILE 78 3HG2 ILE 78 -2.124 2.705 -6.401 614 HD11 ILE 78 3HD1 ILE 78 -0.786 6.670 -9.007 615 HD12 ILE 78 1HD1 ILE 78 -0.498 4.960 -8.685 616 HD13 ILE 78 2HD1 ILE 78 -0.504 6.120 -7.356 617 H GLU 79 H GLU 79 -5.497 2.518 -6.795 618 HA GLU 79 HA GLU 79 -5.209 1.857 -3.880 619 HB2 GLU 79 2HB GLU 79 -7.531 2.141 -4.638 620 HB3 GLU 79 3HB GLU 79 -7.275 0.926 -5.891 621 HG2 GLU 79 2HG GLU 79 -6.856 -0.785 -4.200 622 HG3 GLU 79 3HG GLU 79 -6.966 0.421 -2.916 623 H ALA 80 H ALA 80 -4.631 -0.269 -3.313 624 HA ALA 80 HA ALA 80 -3.819 -2.127 -5.494 625 HB1 ALA 80 3HB ALA 80 -1.949 -1.360 -3.232 626 HB2 ALA 80 1HB ALA 80 -1.836 -0.685 -4.857 627 HB3 ALA 80 2HB ALA 80 -1.589 -2.413 -4.603 628 H THR 81 H THR 81 -3.723 -4.317 -4.765 629 HA THR 81 HA THR 81 -4.992 -4.793 -2.081 630 HB THR 81 HB THR 81 -5.102 -6.421 -4.640 631 HG1 THR 81 HG1 THR 81 -6.666 -5.054 -4.935 632 HG21 THR 81 3HG2 THR 81 -5.094 -7.956 -2.798 633 HG22 THR 81 1HG2 THR 81 -6.774 -7.775 -3.301 634 HG23 THR 81 2HG2 THR 81 -6.188 -6.936 -1.864 635 H VAL 82 H VAL 82 -3.764 -5.926 -0.642 636 HA VAL 82 HA VAL 82 -1.297 -7.313 -1.663 637 HB VAL 82 HB VAL 82 -1.890 -6.036 1.020 638 HG11 VAL 82 1HG1 VAL 82 0.433 -7.692 0.023 639 HG12 VAL 82 2HG1 VAL 82 -0.526 -7.921 1.485 640 HG13 VAL 82 3HG1 VAL 82 0.598 -6.566 1.373 641 HG21 VAL 82 3HG2 VAL 82 0.037 -4.566 0.325 642 HG22 VAL 82 1HG2 VAL 82 -1.399 -4.385 -0.680 643 HG23 VAL 82 2HG2 VAL 82 -0.029 -5.324 -1.266 644 H ILE 83 H ILE 83 -1.146 -9.470 -1.275 645 HA ILE 83 HA ILE 83 -3.373 -10.788 0.166 646 HB ILE 83 HB ILE 83 -1.076 -12.091 -1.304 647 HG12 ILE 83 2HG1 ILE 83 -2.081 -10.555 -2.870 648 HG13 ILE 83 3HG1 ILE 83 -2.693 -12.164 -3.246 649 HG21 ILE 83 1HG2 ILE 83 -2.610 -13.959 -1.509 650 HG22 ILE 83 2HG2 ILE 83 -3.914 -13.020 -0.783 651 HG23 ILE 83 3HG2 ILE 83 -2.520 -13.491 0.189 652 HD11 ILE 83 3HD1 ILE 83 -4.115 -9.891 -1.865 653 HD12 ILE 83 1HD1 ILE 83 -4.671 -11.555 -1.683 654 HD13 ILE 83 2HD1 ILE 83 -4.626 -10.809 -3.279 655 H LEU 84 H LEU 84 -3.146 -11.519 2.195 656 HA LEU 84 HA LEU 84 -0.390 -11.777 3.358 657 HB2 LEU 84 2HB LEU 84 -3.020 -11.248 4.776 658 HB3 LEU 84 3HB LEU 84 -1.419 -11.269 5.517 659 HG LEU 84 HG LEU 84 -2.307 -9.351 3.338 660 HD11 LEU 84 1HD1 LEU 84 -3.425 -8.860 5.450 661 HD12 LEU 84 2HD1 LEU 84 -2.175 -7.652 5.154 662 HD13 LEU 84 3HD1 LEU 84 -1.888 -8.950 6.314 663 HD21 LEU 84 3HD2 LEU 84 0.290 -9.798 4.812 664 HD22 LEU 84 1HD2 LEU 84 -0.119 -8.188 4.217 665 HD23 LEU 84 2HD2 LEU 84 0.027 -9.531 3.088 666 H ASN 85 H ASN 85 -1.561 -13.843 1.835 667 HA ASN 85 HA ASN 85 -2.980 -15.787 3.371 668 HB2 ASN 85 2HB ASN 85 -1.145 -16.000 0.979 669 HB3 ASN 85 3HB ASN 85 -1.934 -17.414 1.680 670 HD21 ASN 85 1HD2 ASN 85 -2.572 -16.633 -0.963 671 HD22 ASN 85 2HD2 ASN 85 -4.160 -16.033 -0.996 672 H SER 86 H SER 86 0.489 -15.196 2.929 673 HA SER 86 HA SER 86 1.374 -17.527 4.344 674 HB2 SER 86 2HB SER 86 2.648 -14.884 3.667 675 HB3 SER 86 3HB SER 86 3.504 -16.073 4.644 676 HG SER 86 HG SER 86 3.863 -16.237 2.340 677 H GLN 87 H GLN 87 2.121 -17.734 6.468 678 HA GLN 87 HA GLN 87 0.634 -16.273 8.486 679 HB2 GLN 87 2HB GLN 87 2.553 -18.563 8.420 680 HB3 GLN 87 3HB GLN 87 2.425 -17.698 9.949 681 HG2 GLN 87 2HG GLN 87 0.836 -19.608 9.811 682 HG3 GLN 87 3HG GLN 87 0.005 -18.060 9.984 683 HE21 GLN 87 1HE2 GLN 87 -1.550 -17.570 8.413 684 HE22 GLN 87 2HE2 GLN 87 -1.725 -18.399 6.942 685 HA PRO 88 HA PRO 88 5.070 -14.668 9.799 686 HB2 PRO 88 2HB PRO 88 6.826 -14.520 7.602 687 HB3 PRO 88 3HB PRO 88 6.886 -15.747 8.883 688 HG2 PRO 88 2HG PRO 88 5.636 -15.900 6.173 689 HG3 PRO 88 3HG PRO 88 6.559 -17.130 7.059 690 HD2 PRO 88 2HD PRO 88 3.912 -17.296 6.924 691 HD3 PRO 88 3HD PRO 88 4.740 -17.679 8.443 692 H GLU 89 H GLU 89 3.831 -14.150 6.527 693 HA GLU 89 HA GLU 89 4.532 -11.361 6.367 694 HB2 GLU 89 2HB GLU 89 2.351 -12.967 5.001 695 HB3 GLU 89 3HB GLU 89 2.769 -11.309 4.571 696 HG2 GLU 89 2HG GLU 89 4.709 -13.642 4.528 697 HG3 GLU 89 3HG GLU 89 3.893 -12.994 3.104 698 H TRP 90 H TRP 90 1.678 -13.099 7.555 699 HA TRP 90 HA TRP 90 0.061 -10.787 8.028 700 HB2 TRP 90 2HB TRP 90 -0.023 -13.644 8.630 701 HB3 TRP 90 3HB TRP 90 -0.612 -12.718 10.007 702 HD1 TRP 90 HD1 TRP 90 -2.041 -14.420 7.298 703 HE1 TRP 90 HE1 TRP 90 -4.202 -13.316 6.421 704 HE3 TRP 90 HE3 TRP 90 -1.571 -9.785 9.380 705 HZ2 TRP 90 HZ2 TRP 90 -5.552 -10.796 6.582 706 HZ3 TRP 90 HZ3 TRP 90 -3.301 -8.052 9.004 707 HH2 TRP 90 HH2 TRP 90 -5.290 -8.548 7.609 708 H ASP 91 H ASP 91 2.343 -12.540 10.120 709 HA ASP 91 HA ASP 91 1.948 -10.939 12.449 710 HB2 ASP 91 2HB ASP 91 3.162 -13.100 12.444 711 HB3 ASP 91 3HB ASP 91 4.464 -12.353 11.519 712 H ARG 92 H ARG 92 4.213 -10.613 9.721 713 HA ARG 92 HA ARG 92 5.561 -8.286 10.720 714 HB2 ARG 92 2HB ARG 92 6.413 -9.705 8.856 715 HB3 ARG 92 3HB ARG 92 5.103 -9.108 7.838 716 HG2 ARG 92 2HG ARG 92 5.935 -6.804 8.103 717 HG3 ARG 92 3HG ARG 92 7.233 -7.390 9.143 718 HD2 ARG 92 2HD ARG 92 6.814 -8.323 6.293 719 HD3 ARG 92 3HD ARG 92 7.930 -7.037 6.750 720 HE ARG 92 HE ARG 92 8.536 -9.298 8.349 721 HH11 ARG 92 1HH2 ARG 92 8.515 -8.273 5.057 722 HH12 ARG 92 2HH2 ARG 92 9.833 -9.295 4.591 723 HH21 ARG 92 1HH1 ARG 92 10.260 -10.639 7.760 724 HH22 ARG 92 2HH1 ARG 92 10.821 -10.634 6.121 725 H PHE 93 H PHE 93 2.727 -8.707 8.624 726 HA PHE 93 HA PHE 93 2.285 -5.966 8.018 727 HB2 PHE 93 2HB PHE 93 1.076 -7.709 6.837 728 HB3 PHE 93 3HB PHE 93 0.329 -8.258 8.338 729 HD1 PHE 93 HD1 PHE 93 -1.331 -6.843 9.509 730 HD2 PHE 93 HD2 PHE 93 0.256 -5.763 5.667 731 HE1 PHE 93 HE1 PHE 93 -3.180 -5.228 9.204 732 HE2 PHE 93 HE2 PHE 93 -1.599 -4.144 5.359 733 HZ PHE 93 HZ PHE 93 -3.318 -3.875 7.127 734 H MET 94 H MET 94 1.015 -7.958 10.696 735 HA MET 94 HA MET 94 -0.540 -5.906 11.913 736 HB2 MET 94 2HB MET 94 -0.674 -8.326 12.501 737 HB3 MET 94 3HB MET 94 0.914 -8.207 13.258 738 HG2 MET 94 2HG MET 94 -0.803 -8.020 14.976 739 HG3 MET 94 3HG MET 94 0.000 -6.463 14.800 740 HE1 MET 94 3HE MET 94 -2.684 -8.749 13.720 741 HE2 MET 94 1HE MET 94 -4.141 -7.779 13.462 742 HE3 MET 94 2HE MET 94 -3.536 -8.050 15.095 743 H ARG 95 H ARG 95 2.836 -6.912 12.494 744 HA ARG 95 HA ARG 95 3.366 -4.950 14.522 745 HB2 ARG 95 2HB ARG 95 5.176 -6.441 12.604 746 HB3 ARG 95 3HB ARG 95 5.786 -5.379 13.872 747 HG2 ARG 95 2HG ARG 95 4.709 -6.731 15.587 748 HG3 ARG 95 3HG ARG 95 3.955 -7.746 14.357 749 HD2 ARG 95 2HD ARG 95 5.943 -8.866 15.245 750 HD3 ARG 95 3HD ARG 95 6.212 -8.416 13.560 751 HE ARG 95 HE ARG 95 7.143 -6.321 15.291 752 HH11 ARG 95 1HH2 ARG 95 7.812 -9.520 14.185 753 HH12 ARG 95 2HH2 ARG 95 9.526 -9.372 14.384 754 HH21 ARG 95 1HH1 ARG 95 9.377 -6.112 15.554 755 HH22 ARG 95 2HH1 ARG 95 10.411 -7.444 15.160 756 H PHE 96 H PHE 96 3.819 -4.943 10.998 757 HA PHE 96 HA PHE 96 5.060 -2.378 10.803 758 HB2 PHE 96 2HB PHE 96 5.016 -3.990 8.941 759 HB3 PHE 96 3HB PHE 96 3.268 -3.797 8.809 760 HD1 PHE 96 HD1 PHE 96 6.393 -1.729 8.899 761 HD2 PHE 96 HD2 PHE 96 2.439 -2.209 7.296 762 HE1 PHE 96 HE1 PHE 96 6.744 0.247 7.438 763 HE2 PHE 96 HE2 PHE 96 2.788 -0.236 5.839 764 HZ PHE 96 HZ PHE 96 4.941 0.991 5.909 765 H MET 97 H MET 97 1.646 -3.352 10.678 766 HA MET 97 HA MET 97 0.536 -0.803 10.113 767 HB2 MET 97 2HB MET 97 -0.739 -2.933 10.068 768 HB3 MET 97 3HB MET 97 -0.630 -3.019 11.825 769 HG2 MET 97 2HG MET 97 -1.880 -0.937 12.047 770 HG3 MET 97 3HG MET 97 -1.908 -0.739 10.293 771 HE1 MET 97 3HE MET 97 -4.477 -0.620 12.062 772 HE2 MET 97 1HE MET 97 -5.596 -1.537 11.045 773 HE3 MET 97 2HE MET 97 -4.435 -0.436 10.310 774 H GLU 98 H GLU 98 1.339 -2.314 13.236 775 HA GLU 98 HA GLU 98 0.311 -0.172 14.842 776 HB2 GLU 98 2HB GLU 98 2.451 -2.244 15.390 777 HB3 GLU 98 3HB GLU 98 1.810 -1.149 16.616 778 HG2 GLU 98 2HG GLU 98 -0.448 -2.032 16.262 779 HG3 GLU 98 3HG GLU 98 0.148 -3.086 14.978 780 H ARG 99 H ARG 99 3.624 -0.863 13.677 781 HA ARG 99 HA ARG 99 4.792 1.482 14.873 782 HB2 ARG 99 2HB ARG 99 5.649 -0.279 12.565 783 HB3 ARG 99 3HB ARG 99 6.639 1.043 13.186 784 HG2 ARG 99 2HG ARG 99 6.655 0.003 15.414 785 HG3 ARG 99 3HG ARG 99 5.629 -1.304 14.821 786 HD2 ARG 99 2HD ARG 99 7.376 -1.924 13.184 787 HD3 ARG 99 3HD ARG 99 8.406 -0.637 13.803 788 HE ARG 99 HE ARG 99 7.832 -3.197 15.144 789 HH11 ARG 99 1HH2 ARG 99 8.997 0.047 15.335 790 HH12 ARG 99 2HH2 ARG 99 9.969 -0.247 16.738 791 HH21 ARG 99 1HH1 ARG 99 9.092 -3.592 16.975 792 HH22 ARG 99 2HH1 ARG 99 10.021 -2.304 17.668 793 H TYR 100 H TYR 100 3.520 0.814 11.627 794 HA TYR 100 HA TYR 100 4.209 3.307 10.435 795 HB2 TYR 100 2HB TYR 100 3.505 1.394 9.102 796 HB3 TYR 100 3HB TYR 100 1.916 1.413 9.863 797 HD1 TYR 100 HD2 TYR 100 4.239 3.477 7.785 798 HD2 TYR 100 HD1 TYR 100 0.181 2.756 8.995 799 HE1 TYR 100 HE2 TYR 100 3.440 5.082 6.069 800 HE2 TYR 100 HE1 TYR 100 -0.616 4.356 7.279 801 HH TYR 100 HH TYR 100 1.665 5.962 5.066 802 H GLY 101 H GLY 101 1.202 2.289 12.075 803 HA2 GLY 101 2HA GLY 101 -0.191 4.750 11.690 804 HA3 GLY 101 3HA GLY 101 -0.543 3.581 12.960 805 H ALA 102 H ALA 102 2.078 3.717 14.217 806 HA ALA 102 HA ALA 102 1.630 5.892 16.003 807 HB1 ALA 102 3HB ALA 102 4.062 4.190 15.438 808 HB2 ALA 102 1HB ALA 102 2.958 4.086 16.812 809 HB3 ALA 102 2HB ALA 102 4.069 5.450 16.673 810 H GLU 103 H GLU 103 3.915 5.547 13.287 811 HA GLU 103 HA GLU 103 4.969 8.228 13.551 812 HB2 GLU 103 2HB GLU 103 4.995 6.175 11.331 813 HB3 GLU 103 3HB GLU 103 5.714 7.772 11.124 814 HG2 GLU 103 2HG GLU 103 7.472 6.293 11.846 815 HG3 GLU 103 3HG GLU 103 7.074 7.324 13.216 816 H ASN 104 H ASN 104 2.585 6.775 11.309 817 HA ASN 104 HA ASN 104 0.909 9.109 11.338 818 HB2 ASN 104 2HB ASN 104 1.282 9.877 9.028 819 HB3 ASN 104 3HB ASN 104 2.743 10.069 9.997 820 HD21 ASN 104 1HD2 ASN 104 3.766 10.018 7.708 821 HD22 ASN 104 2HD2 ASN 104 4.157 8.494 7.070 822 H GLY 105 H GLY 105 -0.708 8.917 9.367 823 HA2 GLY 105 2HA GLY 105 -1.527 7.187 7.676 824 HA3 GLY 105 3HA GLY 105 -1.319 6.004 8.965 825 H LEU 106 H LEU 106 -3.498 5.439 9.024 826 HA LEU 106 HA LEU 106 -5.731 5.549 9.673 827 HB2 LEU 106 2HB LEU 106 -4.837 7.894 11.363 828 HB3 LEU 106 3HB LEU 106 -6.268 6.899 11.596 829 HG LEU 106 HG LEU 106 -4.632 4.900 11.771 830 HD11 LEU 106 1HD1 LEU 106 -2.731 7.229 11.845 831 HD12 LEU 106 2HD1 LEU 106 -2.507 5.621 11.164 832 HD13 LEU 106 3HD1 LEU 106 -2.413 5.857 12.903 833 HD21 LEU 106 3HD2 LEU 106 -4.928 7.082 13.840 834 HD22 LEU 106 1HD2 LEU 106 -4.157 5.540 14.216 835 HD23 LEU 106 2HD2 LEU 106 -5.844 5.582 13.701 836 H GLY 107 H GLY 107 -7.288 7.800 10.400 837 HA2 GLY 107 2HA GLY 107 -7.978 8.788 7.770 838 HA3 GLY 107 3HA GLY 107 -8.740 9.265 9.284 839 H PHE 108 H PHE 108 -6.864 10.366 6.768 840 HA PHE 108 HA PHE 108 -5.398 12.201 6.489 841 HB2 PHE 108 2HB PHE 108 -7.573 13.251 8.320 842 HB3 PHE 108 3HB PHE 108 -6.420 14.286 7.470 843 HD1 PHE 108 HD1 PHE 108 -6.378 14.335 4.977 844 HD2 PHE 108 HD2 PHE 108 -9.388 12.174 7.152 845 HE1 PHE 108 HE1 PHE 108 -7.761 14.194 2.924 846 HE2 PHE 108 HE2 PHE 108 -10.771 12.032 5.097 847 HZ PHE 108 HZ PHE 108 -9.956 13.040 2.983 848 H SER 109 H SER 109 -3.463 11.595 7.476 849 HA SER 109 HA SER 109 -3.035 11.657 10.331 850 HB2 SER 109 2HB SER 109 -0.919 11.859 8.185 851 HB3 SER 109 3HB SER 109 -0.736 11.227 9.820 852 HG SER 109 HG SER 109 -2.084 10.123 7.601 853 H LYS 110 H LYS 110 -1.420 13.101 11.372 854 HA LYS 110 HA LYS 110 -1.870 15.921 10.540 855 HB2 LYS 110 2HB LYS 110 -1.140 16.481 12.800 856 HB3 LYS 110 3HB LYS 110 -2.359 15.210 12.888 857 HG2 LYS 110 2HG LYS 110 -0.514 13.517 13.016 858 HG3 LYS 110 3HG LYS 110 0.649 14.840 13.082 859 HD2 LYS 110 2HD LYS 110 -0.537 15.718 15.103 860 HD3 LYS 110 3HD LYS 110 -1.553 14.277 15.079 861 HE2 LYS 110 2HE LYS 110 1.473 14.218 15.238 862 HE3 LYS 110 3HE LYS 110 0.404 14.075 16.631 863 HZ1 LYS 110 3HZ LYS 110 -0.474 12.070 15.831 864 HZ2 LYS 110 1HZ LYS 110 1.200 11.933 15.601 865 HZ3 LYS 110 2HZ LYS 110 0.189 12.286 14.282 866 H SER 111 H SER 111 0.665 13.529 10.886 867 HA SER 111 HA SER 111 2.875 15.400 10.737 868 HB2 SER 111 2HB SER 111 3.185 13.172 11.694 869 HB3 SER 111 3HB SER 111 2.727 12.429 10.165 870 HG SER 111 HG SER 111 4.848 12.505 9.940 871 H GLU 112 H GLU 112 3.958 16.150 8.944 872 HA GLU 112 HA GLU 112 4.414 16.626 6.700 873 HB2 GLU 112 2HB GLU 112 4.700 14.069 6.678 874 HB3 GLU 112 3HB GLU 112 3.082 14.010 5.981 875 HG2 GLU 112 2HG GLU 112 4.605 14.029 4.135 876 HG3 GLU 112 3HG GLU 112 3.899 15.642 4.217 877 H LEU 113 H LEU 113 1.170 15.527 7.500 878 HA LEU 113 HA LEU 113 -0.141 16.417 5.140 879 HB2 LEU 113 2HB LEU 113 -0.932 14.999 7.266 880 HB3 LEU 113 3HB LEU 113 -1.510 16.567 7.808 881 HG LEU 113 HG LEU 113 -3.306 15.480 6.621 882 HD11 LEU 113 1HD1 LEU 113 -2.186 17.440 4.622 883 HD12 LEU 113 2HD1 LEU 113 -2.754 17.970 6.207 884 HD13 LEU 113 3HD1 LEU 113 -3.866 17.184 5.088 885 HD21 LEU 113 3HD2 LEU 113 -1.420 14.144 5.181 886 HD22 LEU 113 1HD2 LEU 113 -1.876 15.367 3.997 887 HD23 LEU 113 2HD2 LEU 113 -3.094 14.286 4.665 888 H GLU 114 H GLU 114 0.524 18.092 8.226 889 HA GLU 114 HA GLU 114 -0.688 20.579 7.210 890 HB2 GLU 114 2HB GLU 114 0.545 19.708 9.818 891 HB3 GLU 114 3HB GLU 114 0.335 21.430 9.494 892 HG2 GLU 114 2HG GLU 114 -1.632 20.610 10.670 893 HG3 GLU 114 3HG GLU 114 -2.086 20.992 9.012 894 H HIS 115 H HIS 115 0.439 22.457 6.702 895 HA HIS 115 HA HIS 115 3.370 22.110 6.158 896 HB2 HIS 115 2HB HIS 115 1.361 23.971 4.853 897 HB3 HIS 115 3HB HIS 115 3.054 23.790 4.392 898 HD1 HIS 115 HD1 HIS 115 -0.275 22.090 4.187 899 HD2 HIS 115 HD2 HIS 115 3.657 21.359 3.014 900 HE1 HIS 115 HE1 HIS 115 -0.358 20.127 2.588 901 H HIS 116 H HIS 116 4.171 24.645 5.808 902 HA HIS 116 HA HIS 116 4.934 26.514 6.987 903 HB2 HIS 116 2HB HIS 116 2.064 26.442 7.949 904 HB3 HIS 116 3HB HIS 116 3.170 27.788 8.213 905 HD1 HIS 116 HD1 HIS 116 1.294 25.987 5.494 906 HD2 HIS 116 HD2 HIS 116 3.705 29.361 5.919 907 HE1 HIS 116 HE1 HIS 116 1.101 27.282 3.325 908 H HIS 117 H HIS 117 4.771 27.506 9.401 909 HA HIS 117 HA HIS 117 5.995 25.470 11.079 910 HB2 HIS 117 2HB HIS 117 5.276 28.367 11.590 911 HB3 HIS 117 3HB HIS 117 6.183 27.359 12.720 912 HD1 HIS 117 HD1 HIS 117 8.528 26.437 11.846 913 HD2 HIS 117 HD2 HIS 117 6.793 29.384 9.465 914 HE1 HIS 117 HE1 HIS 117 10.352 27.273 10.300 915 H HIS 118 H HIS 118 5.178 24.544 12.930 916 HA HIS 118 HA HIS 118 2.330 24.224 13.166 917 HB2 HIS 118 2HB HIS 118 4.634 23.532 15.008 918 HB3 HIS 118 3HB HIS 118 2.962 23.083 15.345 919 HD1 HIS 118 HD1 HIS 118 5.686 22.529 12.761 920 HD2 HIS 118 HD2 HIS 118 2.055 20.847 13.931 921 HE1 HIS 118 HE1 HIS 118 5.448 20.366 11.464 922 H HIS 119 H HIS 119 4.718 26.171 14.915 923 HA HIS 119 HA HIS 119 4.456 27.793 16.595 924 HB2 HIS 119 2HB HIS 119 3.658 29.012 14.600 925 HB3 HIS 119 3HB HIS 119 2.020 28.425 14.900 926 HD1 HIS 119 HD1 HIS 119 4.722 30.471 16.644 927 HD2 HIS 119 HD2 HIS 119 0.580 29.990 16.691 928 HE1 HIS 119 HE1 HIS 119 3.815 32.227 18.230 929 H HIS 120 H HIS 120 4.004 26.544 18.423 930 HA HIS 120 HA HIS 120 1.293 26.847 19.489 931 HB2 HIS 120 2HB HIS 120 1.159 24.696 18.205 932 HB3 HIS 120 3HB HIS 120 2.463 24.061 19.209 933 HD1 HIS 120 HD1 HIS 120 1.931 23.613 21.730 934 HD2 HIS 120 HD2 HIS 120 -1.360 24.884 19.508 935 HE1 HIS 120 HE1 HIS 120 -0.111 23.184 23.165 Start of MODEL 4 1 H1 MET 1 1H MET 1 11.851 1.155 10.382 2 H2 MET 1 2H MET 1 13.379 1.729 9.914 3 H3 MET 1 3H MET 1 12.301 1.121 8.748 4 HA MET 1 HA MET 1 11.820 3.546 10.393 5 HB2 MET 1 2HB MET 1 12.458 3.369 7.435 6 HB3 MET 1 3HB MET 1 12.372 4.822 8.434 7 HG2 MET 1 2HG MET 1 14.687 4.424 8.273 8 HG3 MET 1 3HG MET 1 14.271 3.701 9.826 9 HE1 MET 1 3HE MET 1 16.751 3.278 8.497 10 HE2 MET 1 1HE MET 1 16.444 2.969 6.782 11 HE3 MET 1 2HE MET 1 17.077 1.688 7.810 12 H ALA 2 H ALA 2 10.623 0.941 8.628 13 HA ALA 2 HA ALA 2 8.578 0.514 7.541 14 HB1 ALA 2 3HB ALA 2 6.621 1.393 8.940 15 HB2 ALA 2 1HB ALA 2 7.836 2.134 9.984 16 HB3 ALA 2 2HB ALA 2 7.795 0.382 9.781 17 H GLU 3 H GLU 3 8.750 1.593 5.559 18 HA GLU 3 HA GLU 3 7.193 4.130 5.383 19 HB2 GLU 3 2HB GLU 3 8.844 5.083 3.819 20 HB3 GLU 3 3HB GLU 3 9.562 4.791 5.403 21 HG2 GLU 3 2HG GLU 3 10.507 2.657 4.575 22 HG3 GLU 3 3HG GLU 3 9.813 2.974 2.985 23 H ILE 4 H ILE 4 6.040 4.350 3.483 24 HA ILE 4 HA ILE 4 5.935 1.918 1.741 25 HB ILE 4 HB ILE 4 3.866 4.073 2.250 26 HG12 ILE 4 2HG1 ILE 4 3.858 1.158 3.078 27 HG13 ILE 4 3HG1 ILE 4 4.387 2.459 4.142 28 HG21 ILE 4 1HG2 ILE 4 2.401 2.291 1.084 29 HG22 ILE 4 2HG2 ILE 4 3.919 1.612 0.502 30 HG23 ILE 4 3HG2 ILE 4 3.468 3.258 0.064 31 HD11 ILE 4 3HD1 ILE 4 2.208 3.505 4.052 32 HD12 ILE 4 1HD1 ILE 4 1.975 1.803 4.453 33 HD13 ILE 4 2HD1 ILE 4 1.665 2.375 2.812 34 H GLN 5 H GLN 5 6.601 2.134 -0.334 35 HA GLN 5 HA GLN 5 6.275 4.707 -1.734 36 HB2 GLN 5 2HB GLN 5 8.671 4.779 -2.429 37 HB3 GLN 5 3HB GLN 5 8.457 5.041 -0.700 38 HG2 GLN 5 2HG GLN 5 8.999 2.672 -0.269 39 HG3 GLN 5 3HG GLN 5 9.212 2.407 -1.999 40 HE21 GLN 5 1HE2 GLN 5 11.235 2.312 0.313 41 HE22 GLN 5 2HE2 GLN 5 12.481 3.351 -0.185 42 H PHE 6 H PHE 6 6.663 4.482 -4.046 43 HA PHE 6 HA PHE 6 6.195 1.687 -4.999 44 HB2 PHE 6 2HB PHE 6 5.689 4.385 -6.292 45 HB3 PHE 6 3HB PHE 6 5.364 2.834 -7.064 46 HD1 PHE 6 HD2 PHE 6 3.632 1.309 -6.139 47 HD2 PHE 6 HD1 PHE 6 4.251 5.264 -4.574 48 HE1 PHE 6 HE2 PHE 6 1.434 1.201 -4.997 49 HE2 PHE 6 HE1 PHE 6 2.052 5.153 -3.430 50 HZ PHE 6 HZ PHE 6 0.644 3.121 -3.641 51 H SER 7 H SER 7 8.212 4.559 -5.450 52 HA SER 7 HA SER 7 10.132 2.879 -7.032 53 HB2 SER 7 2HB SER 7 9.382 5.768 -7.532 54 HB3 SER 7 3HB SER 7 10.683 4.909 -8.351 55 HG SER 7 HG SER 7 8.146 3.738 -8.286 56 H LYS 8 H LYS 8 12.334 3.381 -6.725 57 HA LYS 8 HA LYS 8 13.036 4.193 -4.064 58 HB2 LYS 8 2HB LYS 8 14.702 3.734 -6.546 59 HB3 LYS 8 3HB LYS 8 15.396 4.055 -4.956 60 HG2 LYS 8 2HG LYS 8 14.201 2.086 -4.045 61 HG3 LYS 8 3HG LYS 8 13.533 1.760 -5.645 62 HD2 LYS 8 2HD LYS 8 15.789 1.422 -6.548 63 HD3 LYS 8 3HD LYS 8 16.493 1.822 -4.980 64 HE2 LYS 8 2HE LYS 8 16.394 -0.614 -5.245 65 HE3 LYS 8 3HE LYS 8 15.284 -0.105 -3.971 66 HZ1 LYS 8 3HZ LYS 8 14.258 -0.257 -6.706 67 HZ2 LYS 8 1HZ LYS 8 13.470 -0.561 -5.236 68 HZ3 LYS 8 2HZ LYS 8 14.532 -1.718 -5.885 69 H GLY 9 H GLY 9 13.813 6.105 -3.281 70 HA2 GLY 9 2HA GLY 9 14.651 8.328 -3.330 71 HA3 GLY 9 3HA GLY 9 14.538 8.312 -5.091 72 H VAL 10 H VAL 10 11.859 7.327 -3.062 73 HA VAL 10 HA VAL 10 10.341 9.750 -3.976 74 HB VAL 10 HB VAL 10 9.441 6.936 -3.338 75 HG11 VAL 10 1HG1 VAL 10 7.721 8.299 -2.421 76 HG12 VAL 10 2HG1 VAL 10 7.158 7.904 -4.044 77 HG13 VAL 10 3HG1 VAL 10 7.862 9.487 -3.716 78 HG21 VAL 10 3HG2 VAL 10 8.656 7.031 -5.685 79 HG22 VAL 10 1HG2 VAL 10 10.391 7.333 -5.583 80 HG23 VAL 10 2HG2 VAL 10 9.275 8.677 -5.820 81 H ALA 11 H ALA 11 9.510 11.078 -2.476 82 HA ALA 11 HA ALA 11 10.312 10.984 0.242 83 HB1 ALA 11 3HB ALA 11 7.897 12.440 -0.853 84 HB2 ALA 11 1HB ALA 11 9.551 13.016 -1.042 85 HB3 ALA 11 2HB ALA 11 8.847 12.871 0.569 86 H GLU 12 H GLU 12 9.299 10.316 2.093 87 HA GLU 12 HA GLU 12 6.971 8.485 1.755 88 HB2 GLU 12 2HB GLU 12 7.677 7.794 4.136 89 HB3 GLU 12 3HB GLU 12 8.771 7.360 2.825 90 HG2 GLU 12 2HG GLU 12 9.106 9.934 4.373 91 HG3 GLU 12 3HG GLU 12 9.827 8.422 4.922 92 H THR 13 H THR 13 6.420 11.226 1.648 93 HA THR 13 HA THR 13 5.429 12.003 4.340 94 HB THR 13 HB THR 13 4.733 14.108 3.045 95 HG1 THR 13 HG1 THR 13 6.525 13.161 1.099 96 HG21 THR 13 3HG2 THR 13 6.706 14.203 4.390 97 HG22 THR 13 1HG2 THR 13 7.154 14.865 2.819 98 HG23 THR 13 2HG2 THR 13 7.616 13.217 3.245 99 H VAL 14 H VAL 14 4.375 10.325 1.611 100 HA VAL 14 HA VAL 14 1.619 11.200 1.516 101 HB VAL 14 HB VAL 14 2.774 8.544 0.632 102 HG11 VAL 14 1HG1 VAL 14 0.343 10.102 -0.304 103 HG12 VAL 14 2HG1 VAL 14 0.290 8.679 0.735 104 HG13 VAL 14 3HG1 VAL 14 0.876 8.538 -0.922 105 HG21 VAL 14 3HG2 VAL 14 2.488 11.163 -0.875 106 HG22 VAL 14 1HG2 VAL 14 3.072 9.645 -1.555 107 HG23 VAL 14 2HG2 VAL 14 4.011 10.473 -0.313 108 H VAL 15 H VAL 15 -0.106 10.517 2.713 109 HA VAL 15 HA VAL 15 0.374 8.380 4.760 110 HB VAL 15 HB VAL 15 -1.522 10.733 4.921 111 HG11 VAL 15 1HG1 VAL 15 -0.653 8.567 6.860 112 HG12 VAL 15 2HG1 VAL 15 -2.287 8.885 6.274 113 HG13 VAL 15 3HG1 VAL 15 -1.500 10.030 7.360 114 HG21 VAL 15 3HG2 VAL 15 1.158 10.261 6.272 115 HG22 VAL 15 1HG2 VAL 15 0.122 11.672 6.486 116 HG23 VAL 15 2HG2 VAL 15 0.896 11.374 4.930 117 HA PRO 16 HA PRO 16 -3.079 6.904 2.042 118 HB2 PRO 16 2HB PRO 16 -2.166 4.383 1.628 119 HB3 PRO 16 3HB PRO 16 -1.556 5.770 0.707 120 HG2 PRO 16 2HG PRO 16 -0.313 4.342 3.004 121 HG3 PRO 16 3HG PRO 16 0.443 5.004 1.545 122 HD2 PRO 16 2HD PRO 16 0.435 6.273 4.015 123 HD3 PRO 16 3HD PRO 16 0.663 7.111 2.466 124 H GLU 17 H GLU 17 -4.822 5.528 2.599 125 HA GLU 17 HA GLU 17 -4.866 4.721 5.452 126 HB2 GLU 17 2HB GLU 17 -7.055 4.840 3.359 127 HB3 GLU 17 3HB GLU 17 -7.302 4.381 5.042 128 HG2 GLU 17 2HG GLU 17 -7.817 6.672 5.066 129 HG3 GLU 17 3HG GLU 17 -6.134 6.663 5.589 130 H VAL 18 H VAL 18 -5.531 2.608 6.098 131 HA VAL 18 HA VAL 18 -4.993 0.478 4.052 132 HB VAL 18 HB VAL 18 -4.515 0.427 7.041 133 HG11 VAL 18 1HG1 VAL 18 -3.245 -1.696 6.348 134 HG12 VAL 18 2HG1 VAL 18 -4.122 -1.587 4.821 135 HG13 VAL 18 3HG1 VAL 18 -5.006 -1.792 6.332 136 HG21 VAL 18 3HG2 VAL 18 -2.723 0.851 4.643 137 HG22 VAL 18 1HG2 VAL 18 -2.082 0.226 6.162 138 HG23 VAL 18 2HG2 VAL 18 -2.835 1.818 6.112 139 H ARG 19 H ARG 19 -6.556 -1.013 3.755 140 HA ARG 19 HA ARG 19 -8.850 -1.080 5.688 141 HB2 ARG 19 2HB ARG 19 -8.931 -1.490 2.688 142 HB3 ARG 19 3HB ARG 19 -10.316 -1.537 3.782 143 HG2 ARG 19 2HG ARG 19 -9.646 0.848 4.471 144 HG3 ARG 19 3HG ARG 19 -8.590 0.839 3.059 145 HD2 ARG 19 2HD ARG 19 -11.586 0.374 3.044 146 HD3 ARG 19 3HD ARG 19 -10.763 1.829 2.487 147 HE ARG 19 HE ARG 19 -10.854 -0.760 1.076 148 HH11 ARG 19 1HH2 ARG 19 -9.477 2.395 1.392 149 HH12 ARG 19 2HH2 ARG 19 -8.897 2.437 -0.236 150 HH21 ARG 19 1HH1 ARG 19 -10.104 -0.709 -1.033 151 HH22 ARG 19 2HH1 ARG 19 -9.248 0.682 -1.609 152 H LEU 20 H LEU 20 -9.547 -3.080 6.314 153 HA LEU 20 HA LEU 20 -7.911 -5.416 5.404 154 HB2 LEU 20 2HB LEU 20 -9.644 -5.151 7.874 155 HB3 LEU 20 3HB LEU 20 -8.491 -6.438 7.524 156 HG LEU 20 HG LEU 20 -7.808 -3.506 7.919 157 HD11 LEU 20 1HD1 LEU 20 -6.734 -4.276 9.989 158 HD12 LEU 20 2HD1 LEU 20 -7.236 -5.932 9.649 159 HD13 LEU 20 3HD1 LEU 20 -8.446 -4.700 10.000 160 HD21 LEU 20 3HD2 LEU 20 -6.171 -4.327 6.429 161 HD22 LEU 20 1HD2 LEU 20 -6.184 -5.937 7.152 162 HD23 LEU 20 2HD2 LEU 20 -5.433 -4.589 8.006 163 H SER 21 H SER 21 -8.932 -6.485 3.824 164 HA SER 21 HA SER 21 -11.859 -6.525 3.629 165 HB2 SER 21 2HB SER 21 -11.497 -7.713 1.552 166 HB3 SER 21 3HB SER 21 -10.340 -6.387 1.631 167 HG SER 21 HG SER 21 -9.783 -8.878 1.245 168 H LYS 22 H LYS 22 -12.930 -8.708 3.260 169 HA LYS 22 HA LYS 22 -11.911 -10.679 5.278 170 HB2 LYS 22 2HB LYS 22 -14.091 -9.612 5.805 171 HB3 LYS 22 3HB LYS 22 -14.741 -10.245 4.292 172 HG2 LYS 22 2HG LYS 22 -14.310 -12.539 5.037 173 HG3 LYS 22 3HG LYS 22 -13.577 -11.939 6.523 174 HD2 LYS 22 2HD LYS 22 -15.726 -10.891 7.154 175 HD3 LYS 22 3HD LYS 22 -16.458 -11.511 5.674 176 HE2 LYS 22 2HE LYS 22 -17.051 -13.096 7.339 177 HE3 LYS 22 3HE LYS 22 -15.699 -13.839 6.484 178 HZ1 LYS 22 3HZ LYS 22 -15.303 -14.044 8.805 179 HZ2 LYS 22 1HZ LYS 22 -15.613 -12.400 9.077 180 HZ3 LYS 22 2HZ LYS 22 -14.225 -12.871 8.216 181 H SER 23 H SER 23 -11.176 -12.522 4.452 182 HA SER 23 HA SER 23 -12.514 -14.113 2.525 183 HB2 SER 23 2HB SER 23 -10.614 -13.867 0.742 184 HB3 SER 23 3HB SER 23 -11.912 -12.674 0.757 185 HG SER 23 HG SER 23 -10.528 -11.378 2.089 186 H LYS 24 H LYS 24 -10.372 -13.564 4.907 187 HA LYS 24 HA LYS 24 -8.245 -15.428 4.410 188 HB2 LYS 24 2HB LYS 24 -7.905 -15.376 6.848 189 HB3 LYS 24 3HB LYS 24 -8.190 -13.745 6.245 190 HG2 LYS 24 2HG LYS 24 -10.604 -13.982 6.873 191 HG3 LYS 24 3HG LYS 24 -10.227 -15.547 7.592 192 HD2 LYS 24 2HD LYS 24 -8.578 -14.443 9.084 193 HD3 LYS 24 3HD LYS 24 -9.050 -12.881 8.415 194 HE2 LYS 24 2HE LYS 24 -10.987 -14.798 9.742 195 HE3 LYS 24 3HE LYS 24 -10.208 -13.454 10.578 196 HZ1 LYS 24 3HZ LYS 24 -12.201 -12.557 9.878 197 HZ2 LYS 24 1HZ LYS 24 -12.185 -13.379 8.394 198 HZ3 LYS 24 2HZ LYS 24 -11.137 -12.065 8.647 199 H ASN 25 H ASN 25 -11.481 -15.750 5.743 200 HA ASN 25 HA ASN 25 -11.118 -18.712 5.958 201 HB2 ASN 25 2HB ASN 25 -13.135 -18.658 7.357 202 HB3 ASN 25 3HB ASN 25 -11.946 -17.519 7.985 203 HD21 ASN 25 1HD2 ASN 25 -12.745 -15.444 8.377 204 HD22 ASN 25 2HD2 ASN 25 -14.137 -14.787 7.662 205 H GLY 26 H GLY 26 -11.940 -16.573 3.699 206 HA2 GLY 26 2HA GLY 26 -14.347 -18.045 2.700 207 HA3 GLY 26 3HA GLY 26 -13.838 -16.444 2.166 208 H GLN 27 H GLN 27 -11.381 -16.570 1.335 209 HA GLN 27 HA GLN 27 -10.815 -19.035 -0.170 210 HB2 GLN 27 2HB GLN 27 -10.813 -17.907 -2.361 211 HB3 GLN 27 3HB GLN 27 -12.419 -17.839 -1.637 212 HG2 GLN 27 2HG GLN 27 -11.877 -15.552 -0.771 213 HG3 GLN 27 3HG GLN 27 -10.349 -15.622 -1.648 214 HE21 GLN 27 1HE2 GLN 27 -10.674 -14.184 -3.389 215 HE22 GLN 27 2HE2 GLN 27 -11.978 -14.286 -4.471 216 H SER 28 H SER 28 -9.968 -15.669 0.603 217 HA SER 28 HA SER 28 -7.217 -16.394 1.086 218 HB2 SER 28 2HB SER 28 -7.867 -15.002 -1.513 219 HB3 SER 28 3HB SER 28 -6.282 -14.878 -0.756 220 HG SER 28 HG SER 28 -5.991 -16.665 -1.868 221 H GLY 29 H GLY 29 -6.988 -15.161 2.858 222 HA2 GLY 29 2HA GLY 29 -8.372 -12.698 3.339 223 HA3 GLY 29 3HA GLY 29 -7.009 -13.302 4.278 224 H MET 30 H MET 30 -7.726 -10.570 3.084 225 HA MET 30 HA MET 30 -4.992 -9.886 2.355 226 HB2 MET 30 2HB MET 30 -5.465 -9.047 0.114 227 HB3 MET 30 3HB MET 30 -5.871 -10.760 0.198 228 HG2 MET 30 2HG MET 30 -8.260 -10.099 0.648 229 HG3 MET 30 3HG MET 30 -7.799 -8.425 0.342 230 HE1 MET 30 3HE MET 30 -10.113 -9.983 -1.674 231 HE2 MET 30 1HE MET 30 -9.578 -8.770 -2.844 232 HE3 MET 30 2HE MET 30 -9.634 -8.379 -1.128 233 H ALA 31 H ALA 31 -4.859 -7.493 1.806 234 HA ALA 31 HA ALA 31 -7.093 -5.908 3.006 235 HB1 ALA 31 3HB ALA 31 -4.190 -5.927 3.832 236 HB2 ALA 31 1HB ALA 31 -5.620 -6.064 4.855 237 HB3 ALA 31 2HB ALA 31 -5.210 -4.516 4.113 238 H LYS 32 H LYS 32 -7.270 -3.819 2.128 239 HA LYS 32 HA LYS 32 -5.677 -3.371 -0.363 240 HB2 LYS 32 2HB LYS 32 -8.349 -2.283 0.554 241 HB3 LYS 32 3HB LYS 32 -7.542 -1.799 -0.939 242 HG2 LYS 32 2HG LYS 32 -7.537 -4.159 -1.688 243 HG3 LYS 32 3HG LYS 32 -8.380 -4.622 -0.209 244 HD2 LYS 32 2HD LYS 32 -10.280 -3.193 -0.815 245 HD3 LYS 32 3HD LYS 32 -9.435 -2.663 -2.269 246 HE2 LYS 32 2HE LYS 32 -10.997 -4.424 -2.879 247 HE3 LYS 32 3HE LYS 32 -9.354 -5.048 -3.030 248 HZ1 LYS 32 3HZ LYS 32 -11.036 -6.491 -1.828 249 HZ2 LYS 32 1HZ LYS 32 -10.924 -5.384 -0.549 250 HZ3 LYS 32 2HZ LYS 32 -9.546 -6.240 -1.050 251 H PHE 33 H PHE 33 -4.745 -1.361 -0.767 252 HA PHE 33 HA PHE 33 -4.445 0.460 1.600 253 HB2 PHE 33 2HB PHE 33 -2.489 -0.465 -0.501 254 HB3 PHE 33 3HB PHE 33 -2.217 1.031 0.393 255 HD1 PHE 33 HD1 PHE 33 -3.000 -2.600 0.896 256 HD2 PHE 33 HD2 PHE 33 -1.235 0.960 2.526 257 HE1 PHE 33 HE1 PHE 33 -2.152 -3.903 2.829 258 HE2 PHE 33 HE2 PHE 33 -0.387 -0.342 4.456 259 HZ PHE 33 HZ PHE 33 -0.844 -2.772 4.609 260 H TYR 34 H TYR 34 -5.095 2.502 1.271 261 HA TYR 34 HA TYR 34 -5.938 3.289 -1.469 262 HB2 TYR 34 2HB TYR 34 -7.475 3.433 0.575 263 HB3 TYR 34 3HB TYR 34 -6.457 4.769 1.114 264 HD1 TYR 34 HD2 TYR 34 -8.522 3.572 -1.750 265 HD2 TYR 34 HD1 TYR 34 -6.746 6.945 0.228 266 HE1 TYR 34 HE2 TYR 34 -9.737 5.102 -3.274 267 HE2 TYR 34 HE1 TYR 34 -7.960 8.477 -1.298 268 HH TYR 34 HH TYR 34 -8.952 8.186 -3.783 269 H PHE 35 H PHE 35 -4.682 4.607 -2.609 270 HA PHE 35 HA PHE 35 -2.680 6.337 -1.202 271 HB2 PHE 35 2HB PHE 35 -2.619 5.086 -3.956 272 HB3 PHE 35 3HB PHE 35 -1.422 6.221 -3.351 273 HD1 PHE 35 HD2 PHE 35 0.018 5.633 -1.415 274 HD2 PHE 35 HD1 PHE 35 -2.651 2.796 -3.222 275 HE1 PHE 35 HE2 PHE 35 1.220 3.784 -0.286 276 HE2 PHE 35 HE1 PHE 35 -1.447 0.945 -2.091 277 HZ PHE 35 HZ PHE 35 0.488 1.440 -0.622 278 H LEU 36 H LEU 36 -3.018 8.474 -1.393 279 HA LEU 36 HA LEU 36 -4.806 9.428 -3.595 280 HB2 LEU 36 2HB LEU 36 -5.760 9.642 -1.297 281 HB3 LEU 36 3HB LEU 36 -4.401 10.682 -0.869 282 HG LEU 36 HG LEU 36 -5.048 12.241 -2.696 283 HD11 LEU 36 1HD1 LEU 36 -7.562 11.819 -3.461 284 HD12 LEU 36 2HD1 LEU 36 -7.146 10.135 -3.139 285 HD13 LEU 36 3HD1 LEU 36 -6.225 11.063 -4.322 286 HD21 LEU 36 3HD2 LEU 36 -7.359 11.655 -0.824 287 HD22 LEU 36 1HD2 LEU 36 -6.941 13.209 -1.545 288 HD23 LEU 36 2HD2 LEU 36 -5.882 12.485 -0.335 289 H GLU 37 H GLU 37 -3.754 10.529 -5.075 290 HA GLU 37 HA GLU 37 -1.904 11.600 -6.108 291 HB2 GLU 37 2HB GLU 37 -2.926 13.518 -4.001 292 HB3 GLU 37 3HB GLU 37 -1.838 13.990 -5.308 293 HG2 GLU 37 2HG GLU 37 -3.509 13.095 -6.949 294 HG3 GLU 37 3HG GLU 37 -4.613 12.805 -5.604 295 HA PRO 38 HA PRO 38 1.213 10.598 -2.761 296 HB2 PRO 38 2HB PRO 38 2.444 9.017 -4.957 297 HB3 PRO 38 3HB PRO 38 2.034 8.512 -3.308 298 HG2 PRO 38 2HG PRO 38 0.637 7.656 -5.430 299 HG3 PRO 38 3HG PRO 38 -0.126 7.978 -3.864 300 HD2 PRO 38 2HD PRO 38 -0.132 9.685 -6.334 301 HD3 PRO 38 3HD PRO 38 -1.457 9.339 -5.200 302 H THR 39 H THR 39 0.928 12.562 -5.248 303 HA THR 39 HA THR 39 2.236 14.283 -6.108 304 HB THR 39 HB THR 39 4.562 13.420 -4.389 305 HG1 THR 39 HG1 THR 39 2.064 14.411 -3.593 306 HG21 THR 39 3HG2 THR 39 4.773 15.360 -5.908 307 HG22 THR 39 1HG2 THR 39 4.869 15.850 -4.216 308 HG23 THR 39 2HG2 THR 39 3.381 16.109 -5.128 309 H ILE 40 H ILE 40 2.890 11.050 -6.389 310 HA ILE 40 HA ILE 40 5.322 11.298 -8.030 311 HB ILE 40 HB ILE 40 4.823 9.311 -6.531 312 HG12 ILE 40 2HG1 ILE 40 5.086 8.513 -9.439 313 HG13 ILE 40 3HG1 ILE 40 6.395 9.300 -8.556 314 HG21 ILE 40 1HG2 ILE 40 2.361 9.286 -7.284 315 HG22 ILE 40 2HG2 ILE 40 3.171 7.726 -7.142 316 HG23 ILE 40 3HG2 ILE 40 2.934 8.455 -8.730 317 HD11 ILE 40 3HD1 ILE 40 6.506 7.505 -6.959 318 HD12 ILE 40 1HD1 ILE 40 6.495 6.769 -8.561 319 HD13 ILE 40 2HD1 ILE 40 5.027 6.778 -7.585 320 H LEU 41 H LEU 41 2.135 11.979 -8.545 321 HA LEU 41 HA LEU 41 1.851 10.829 -11.231 322 HB2 LEU 41 2HB LEU 41 0.227 12.980 -9.838 323 HB3 LEU 41 3HB LEU 41 -0.251 12.100 -11.290 324 HG LEU 41 HG LEU 41 0.281 10.845 -8.580 325 HD11 LEU 41 1HD1 LEU 41 -1.792 12.229 -8.671 326 HD12 LEU 41 2HD1 LEU 41 -2.137 10.511 -8.467 327 HD13 LEU 41 3HD1 LEU 41 -2.342 11.271 -10.046 328 HD21 LEU 41 3HD2 LEU 41 -0.984 8.908 -9.850 329 HD22 LEU 41 1HD2 LEU 41 0.741 9.141 -10.124 330 HD23 LEU 41 2HD2 LEU 41 -0.427 9.748 -11.298 331 H ALA 42 H ALA 42 3.476 13.469 -9.900 332 HA ALA 42 HA ALA 42 3.244 15.148 -12.342 333 HB1 ALA 42 3HB ALA 42 3.192 16.342 -10.222 334 HB2 ALA 42 1HB ALA 42 4.715 16.713 -11.033 335 HB3 ALA 42 2HB ALA 42 4.682 15.553 -9.706 336 H LYS 43 H LYS 43 5.286 12.773 -10.913 337 HA LYS 43 HA LYS 43 7.534 13.461 -12.772 338 HB2 LYS 43 2HB LYS 43 7.439 11.759 -10.273 339 HB3 LYS 43 3HB LYS 43 8.850 11.880 -11.325 340 HG2 LYS 43 2HG LYS 43 8.852 14.348 -10.988 341 HG3 LYS 43 3HG LYS 43 7.505 14.174 -9.865 342 HD2 LYS 43 2HD LYS 43 10.126 12.708 -9.499 343 HD3 LYS 43 3HD LYS 43 9.837 14.305 -8.812 344 HE2 LYS 43 2HE LYS 43 7.719 13.269 -7.756 345 HE3 LYS 43 3HE LYS 43 8.423 11.709 -8.177 346 HZ1 LYS 43 3HZ LYS 43 10.419 13.245 -6.990 347 HZ2 LYS 43 1HZ LYS 43 9.680 11.843 -6.385 348 HZ3 LYS 43 2HZ LYS 43 9.039 13.370 -6.007 349 H GLU 44 H GLU 44 5.475 10.768 -11.659 350 HA GLU 44 HA GLU 44 6.028 9.411 -14.269 351 HB2 GLU 44 2HB GLU 44 6.071 8.110 -11.534 352 HB3 GLU 44 3HB GLU 44 6.104 7.227 -13.060 353 HG2 GLU 44 2HG GLU 44 8.157 9.299 -12.215 354 HG3 GLU 44 3HG GLU 44 8.385 7.555 -12.104 355 H SER 45 H SER 45 4.293 8.507 -15.207 356 HA SER 45 HA SER 45 1.657 9.129 -14.145 357 HB2 SER 45 2HB SER 45 2.105 9.254 -16.547 358 HB3 SER 45 3HB SER 45 2.521 7.543 -16.578 359 HG SER 45 HG SER 45 0.273 8.245 -17.158 360 H THR 46 H THR 46 -0.062 7.388 -14.153 361 HA THR 46 HA THR 46 0.588 5.342 -12.253 362 HB THR 46 HB THR 46 -1.727 4.517 -12.755 363 HG1 THR 46 HG1 THR 46 -2.903 5.728 -14.291 364 HG21 THR 46 3HG2 THR 46 -2.855 6.766 -12.240 365 HG22 THR 46 1HG2 THR 46 -1.238 7.465 -12.318 366 HG23 THR 46 2HG2 THR 46 -1.609 6.229 -11.115 367 H ASP 47 H ASP 47 0.391 5.370 -15.763 368 HA ASP 47 HA ASP 47 0.409 2.523 -16.164 369 HB2 ASP 47 2HB ASP 47 1.125 4.924 -17.831 370 HB3 ASP 47 3HB ASP 47 1.539 3.319 -18.423 371 H ASP 48 H ASP 48 2.971 4.911 -15.712 372 HA ASP 48 HA ASP 48 5.181 3.195 -16.342 373 HB2 ASP 48 2HB ASP 48 4.830 5.704 -14.715 374 HB3 ASP 48 3HB ASP 48 6.375 4.858 -14.683 375 H ILE 49 H ILE 49 3.339 3.777 -13.397 376 HA ILE 49 HA ILE 49 5.088 2.169 -11.724 377 HB ILE 49 HB ILE 49 2.267 3.184 -11.290 378 HG12 ILE 49 2HG1 ILE 49 4.880 4.147 -10.094 379 HG13 ILE 49 3HG1 ILE 49 4.178 4.853 -11.549 380 HG21 ILE 49 1HG2 ILE 49 4.209 1.728 -9.488 381 HG22 ILE 49 2HG2 ILE 49 2.523 1.332 -9.820 382 HG23 ILE 49 3HG2 ILE 49 2.922 2.744 -8.841 383 HD11 ILE 49 3HD1 ILE 49 2.099 5.350 -10.276 384 HD12 ILE 49 1HD1 ILE 49 3.509 6.158 -9.588 385 HD13 ILE 49 2HD1 ILE 49 2.861 4.709 -8.820 386 H THR 50 H THR 50 5.048 0.012 -11.481 387 HA THR 50 HA THR 50 2.583 -1.517 -12.089 388 HB THR 50 HB THR 50 3.715 -1.609 -14.211 389 HG1 THR 50 HG1 THR 50 3.940 -3.764 -14.362 390 HG21 THR 50 3HG2 THR 50 5.916 -0.830 -13.528 391 HG22 THR 50 1HG2 THR 50 6.080 -2.367 -14.377 392 HG23 THR 50 2HG2 THR 50 6.191 -2.314 -12.617 393 H GLY 51 H GLY 51 3.514 -1.014 -9.576 394 HA2 GLY 51 2HA GLY 51 3.658 -3.454 -8.317 395 HA3 GLY 51 3HA GLY 51 5.346 -3.098 -8.665 396 H MET 52 H MET 52 4.428 -3.331 -6.042 397 HA MET 52 HA MET 52 4.684 -0.513 -5.050 398 HB2 MET 52 2HB MET 52 2.370 -1.324 -4.714 399 HB3 MET 52 3HB MET 52 2.994 -2.722 -3.837 400 HG2 MET 52 2HG MET 52 3.940 -1.286 -2.122 401 HG3 MET 52 3HG MET 52 3.495 0.157 -3.034 402 HE1 MET 52 3HE MET 52 0.875 -2.795 -0.780 403 HE2 MET 52 1HE MET 52 2.514 -2.993 -1.416 404 HE3 MET 52 2HE MET 52 1.125 -3.179 -2.481 405 H TYR 53 H TYR 53 6.337 -0.257 -3.657 406 HA TYR 53 HA TYR 53 7.743 -2.697 -2.656 407 HB2 TYR 53 2HB TYR 53 8.734 0.120 -3.150 408 HB3 TYR 53 3HB TYR 53 9.712 -1.172 -2.453 409 HD1 TYR 53 HD1 TYR 53 7.567 -0.412 -5.433 410 HD2 TYR 53 HD2 TYR 53 10.901 -2.624 -3.871 411 HE1 TYR 53 HE1 TYR 53 8.070 -1.260 -7.708 412 HE2 TYR 53 HE2 TYR 53 11.403 -3.472 -6.147 413 HH TYR 53 HH TYR 53 9.865 -2.188 -8.965 414 H LEU 54 H LEU 54 7.121 -3.122 -0.637 415 HA LEU 54 HA LEU 54 6.620 -0.889 1.278 416 HB2 LEU 54 2HB LEU 54 6.097 -3.864 1.562 417 HB3 LEU 54 3HB LEU 54 5.553 -2.602 2.668 418 HG LEU 54 HG LEU 54 4.743 -2.884 -0.245 419 HD11 LEU 54 1HD1 LEU 54 2.448 -3.204 0.910 420 HD12 LEU 54 2HD1 LEU 54 3.378 -3.530 2.370 421 HD13 LEU 54 3HD1 LEU 54 3.577 -4.559 0.952 422 HD21 LEU 54 3HD2 LEU 54 4.237 -0.786 1.858 423 HD22 LEU 54 1HD2 LEU 54 3.018 -1.089 0.619 424 HD23 LEU 54 2HD2 LEU 54 4.637 -0.576 0.154 425 H ILE 55 H ILE 55 8.273 -0.359 2.607 426 HA ILE 55 HA ILE 55 10.457 -2.359 3.052 427 HB ILE 55 HB ILE 55 10.400 0.657 3.346 428 HG12 ILE 55 2HG1 ILE 55 12.144 0.440 1.509 429 HG13 ILE 55 3HG1 ILE 55 11.711 -1.263 1.398 430 HG21 ILE 55 1HG2 ILE 55 12.541 -1.396 3.948 431 HG22 ILE 55 2HG2 ILE 55 11.872 -0.186 5.041 432 HG23 ILE 55 3HG2 ILE 55 12.897 0.312 3.697 433 HD11 ILE 55 3HD1 ILE 55 9.730 -0.832 0.341 434 HD12 ILE 55 1HD1 ILE 55 10.538 0.667 -0.109 435 HD13 ILE 55 2HD1 ILE 55 9.426 0.645 1.258 436 H ASP 56 H ASP 56 10.217 -3.440 4.893 437 HA ASP 56 HA ASP 56 8.782 -2.248 7.189 438 HB2 ASP 56 2HB ASP 56 9.890 -5.026 6.696 439 HB3 ASP 56 3HB ASP 56 9.000 -4.548 8.142 440 H ASP 57 H ASP 57 9.807 -2.778 9.402 441 HA ASP 57 HA ASP 57 12.470 -1.580 9.474 442 HB2 ASP 57 2HB ASP 57 12.197 -1.586 11.872 443 HB3 ASP 57 3HB ASP 57 10.651 -1.121 11.165 444 H GLU 58 H GLU 58 11.392 -4.682 8.979 445 HA GLU 58 HA GLU 58 13.945 -5.864 10.028 446 HB2 GLU 58 2HB GLU 58 12.726 -7.954 10.424 447 HB3 GLU 58 3HB GLU 58 11.949 -6.642 11.310 448 HG2 GLU 58 2HG GLU 58 10.333 -6.382 9.411 449 HG3 GLU 58 3HG GLU 58 11.054 -7.802 8.652 450 H GLY 59 H GLY 59 11.810 -5.347 7.381 451 HA2 GLY 59 2HA GLY 59 13.710 -6.369 5.481 452 HA3 GLY 59 3HA GLY 59 12.388 -7.519 5.685 453 H GLU 60 H GLU 60 11.632 -7.154 3.544 454 HA GLU 60 HA GLU 60 9.896 -4.783 3.299 455 HB2 GLU 60 2HB GLU 60 10.781 -4.150 1.095 456 HB3 GLU 60 3HB GLU 60 12.044 -4.030 2.319 457 HG2 GLU 60 2HG GLU 60 12.862 -6.291 1.659 458 HG3 GLU 60 3HG GLU 60 11.651 -6.329 0.376 459 H ILE 61 H ILE 61 8.141 -5.181 1.932 460 HA ILE 61 HA ILE 61 7.958 -7.961 0.812 461 HB ILE 61 HB ILE 61 5.793 -6.144 1.902 462 HG12 ILE 61 2HG1 ILE 61 6.725 -8.866 2.852 463 HG13 ILE 61 3HG1 ILE 61 7.345 -7.355 3.515 464 HG21 ILE 61 1HG2 ILE 61 5.714 -8.799 0.459 465 HG22 ILE 61 2HG2 ILE 61 4.789 -7.336 0.115 466 HG23 ILE 61 3HG2 ILE 61 4.415 -8.298 1.545 467 HD11 ILE 61 3HD1 ILE 61 5.245 -6.744 4.406 468 HD12 ILE 61 1HD1 ILE 61 5.358 -8.471 4.741 469 HD13 ILE 61 2HD1 ILE 61 4.380 -7.896 3.390 470 H ILE 62 H ILE 62 7.674 -8.106 -1.330 471 HA ILE 62 HA ILE 62 6.997 -5.619 -2.861 472 HB ILE 62 HB ILE 62 8.481 -8.079 -3.821 473 HG12 ILE 62 2HG1 ILE 62 9.831 -7.004 -2.118 474 HG13 ILE 62 3HG1 ILE 62 10.497 -6.570 -3.690 475 HG21 ILE 62 1HG2 ILE 62 7.392 -6.811 -5.603 476 HG22 ILE 62 2HG2 ILE 62 9.134 -6.538 -5.673 477 HG23 ILE 62 3HG2 ILE 62 8.075 -5.308 -4.983 478 HD11 ILE 62 3HD1 ILE 62 8.905 -4.870 -1.779 479 HD12 ILE 62 1HD1 ILE 62 8.945 -4.478 -3.499 480 HD13 ILE 62 2HD1 ILE 62 10.440 -4.509 -2.568 481 H THR 63 H THR 63 5.191 -5.622 -4.038 482 HA THR 63 HA THR 63 3.968 -8.234 -4.820 483 HB THR 63 HB THR 63 2.780 -7.647 -2.802 484 HG1 THR 63 HG1 THR 63 1.066 -8.132 -3.872 485 HG21 THR 63 3HG2 THR 63 1.808 -5.475 -2.412 486 HG22 THR 63 1HG2 THR 63 2.254 -4.931 -4.030 487 HG23 THR 63 2HG2 THR 63 3.505 -5.231 -2.823 488 H ARG 64 H ARG 64 2.822 -8.149 -6.743 489 HA ARG 64 HA ARG 64 3.157 -5.665 -8.348 490 HB2 ARG 64 2HB ARG 64 2.665 -8.553 -9.086 491 HB3 ARG 64 3HB ARG 64 2.607 -7.249 -10.268 492 HG2 ARG 64 2HG ARG 64 5.028 -7.519 -8.488 493 HG3 ARG 64 3HG ARG 64 4.860 -8.581 -9.884 494 HD2 ARG 64 2HD ARG 64 4.738 -5.548 -10.009 495 HD3 ARG 64 3HD ARG 64 6.149 -6.517 -10.427 496 HE ARG 64 HE ARG 64 3.709 -6.234 -12.032 497 HH11 ARG 64 1HH2 ARG 64 6.567 -8.036 -11.321 498 HH12 ARG 64 2HH2 ARG 64 6.647 -8.768 -12.889 499 HH21 ARG 64 1HH1 ARG 64 3.804 -7.174 -14.068 500 HH22 ARG 64 2HH1 ARG 64 5.085 -8.280 -14.444 501 H GLU 65 H GLU 65 0.907 -6.922 -6.384 502 HA GLU 65 HA GLU 65 -1.451 -6.680 -8.098 503 HB2 GLU 65 2HB GLU 65 -1.110 -6.985 -5.104 504 HB3 GLU 65 3HB GLU 65 -2.685 -6.888 -5.895 505 HG2 GLU 65 2HG GLU 65 -2.157 -8.858 -7.248 506 HG3 GLU 65 3HG GLU 65 -0.543 -8.935 -6.544 507 H VAL 66 H VAL 66 -0.781 -4.460 -8.817 508 HA VAL 66 HA VAL 66 -1.766 -2.373 -6.904 509 HB VAL 66 HB VAL 66 -0.257 -0.809 -8.275 510 HG11 VAL 66 1HG1 VAL 66 1.786 -1.584 -6.971 511 HG12 VAL 66 2HG1 VAL 66 0.821 -2.966 -6.449 512 HG13 VAL 66 3HG1 VAL 66 0.327 -1.332 -6.013 513 HG21 VAL 66 3HG2 VAL 66 1.146 -3.415 -8.920 514 HG22 VAL 66 1HG2 VAL 66 1.560 -1.796 -9.484 515 HG23 VAL 66 2HG2 VAL 66 0.099 -2.586 -10.073 516 H LYS 67 H LYS 67 -3.388 -1.108 -7.641 517 HA LYS 67 HA LYS 67 -4.075 -1.235 -10.558 518 HB2 LYS 67 2HB LYS 67 -5.935 -1.389 -8.171 519 HB3 LYS 67 3HB LYS 67 -6.480 -1.144 -9.832 520 HG2 LYS 67 2HG LYS 67 -5.394 -3.260 -10.500 521 HG3 LYS 67 3HG LYS 67 -4.864 -3.511 -8.835 522 HD2 LYS 67 2HD LYS 67 -7.223 -3.536 -8.094 523 HD3 LYS 67 3HD LYS 67 -7.744 -3.306 -9.764 524 HE2 LYS 67 2HE LYS 67 -6.646 -5.422 -10.402 525 HE3 LYS 67 3HE LYS 67 -6.125 -5.655 -8.733 526 HZ1 LYS 67 3HZ LYS 67 -8.124 -6.396 -8.156 527 HZ2 LYS 67 1HZ LYS 67 -8.473 -6.513 -9.811 528 HZ3 LYS 67 2HZ LYS 67 -8.928 -5.125 -8.945 529 H GLY 68 H GLY 68 -4.262 0.713 -11.461 530 HA2 GLY 68 2HA GLY 68 -4.032 3.112 -9.770 531 HA3 GLY 68 3HA GLY 68 -3.900 3.061 -11.523 532 H LYS 69 H LYS 69 -5.695 4.437 -9.301 533 HA LYS 69 HA LYS 69 -8.323 3.978 -10.662 534 HB2 LYS 69 2HB LYS 69 -7.610 5.114 -7.951 535 HB3 LYS 69 3HB LYS 69 -9.231 5.212 -8.638 536 HG2 LYS 69 2HG LYS 69 -9.275 2.743 -8.856 537 HG3 LYS 69 3HG LYS 69 -7.670 2.662 -8.127 538 HD2 LYS 69 2HD LYS 69 -8.530 3.695 -6.072 539 HD3 LYS 69 3HD LYS 69 -10.132 3.830 -6.799 540 HE2 LYS 69 2HE LYS 69 -10.251 1.380 -7.017 541 HE3 LYS 69 3HE LYS 69 -8.645 1.232 -6.306 542 HZ1 LYS 69 3HZ LYS 69 -9.407 1.705 -4.250 543 HZ2 LYS 69 1HZ LYS 69 -10.863 1.101 -4.878 544 HZ3 LYS 69 2HZ LYS 69 -10.603 2.777 -4.805 545 H PHE 70 H PHE 70 -9.122 5.569 -11.900 546 HA PHE 70 HA PHE 70 -7.646 8.164 -12.004 547 HB2 PHE 70 2HB PHE 70 -9.535 6.906 -14.009 548 HB3 PHE 70 3HB PHE 70 -8.604 8.385 -14.246 549 HD1 PHE 70 HD1 PHE 70 -6.139 8.307 -14.431 550 HD2 PHE 70 HD2 PHE 70 -8.490 4.728 -14.118 551 HE1 PHE 70 HE1 PHE 70 -4.196 6.966 -15.188 552 HE2 PHE 70 HE2 PHE 70 -6.550 3.386 -14.882 553 HZ PHE 70 HZ PHE 70 -4.402 4.506 -15.416 554 H ILE 71 H ILE 71 -8.744 10.091 -11.870 555 HA ILE 71 HA ILE 71 -11.635 9.983 -11.103 556 HB ILE 71 HB ILE 71 -9.449 11.779 -10.022 557 HG12 ILE 71 2HG1 ILE 71 -9.682 9.294 -9.239 558 HG13 ILE 71 3HG1 ILE 71 -9.566 10.555 -8.016 559 HG21 ILE 71 1HG2 ILE 71 -12.444 11.760 -9.656 560 HG22 ILE 71 2HG2 ILE 71 -11.395 13.122 -10.045 561 HG23 ILE 71 3HG2 ILE 71 -11.380 12.433 -8.422 562 HD11 ILE 71 3HD1 ILE 71 -12.289 9.717 -8.991 563 HD12 ILE 71 1HD1 ILE 71 -11.821 10.399 -7.439 564 HD13 ILE 71 2HD1 ILE 71 -11.445 8.718 -7.812 565 H ASN 72 H ASN 72 -12.932 11.632 -11.862 566 HA ASN 72 HA ASN 72 -13.688 13.086 -13.517 567 HB2 ASN 72 2HB ASN 72 -12.605 15.196 -13.592 568 HB3 ASN 72 3HB ASN 72 -12.247 14.576 -11.983 569 HD21 ASN 72 1HD2 ASN 72 -10.100 14.887 -11.431 570 HD22 ASN 72 2HD2 ASN 72 -8.796 14.850 -12.518 571 H GLY 73 H GLY 73 -11.672 10.799 -14.160 572 HA2 GLY 73 2HA GLY 73 -11.248 9.847 -16.305 573 HA3 GLY 73 3HA GLY 73 -11.565 11.416 -17.048 574 H ARG 74 H ARG 74 -9.415 11.067 -14.301 575 HA ARG 74 HA ARG 74 -7.045 11.021 -16.022 576 HB2 ARG 74 2HB ARG 74 -6.285 13.192 -15.701 577 HB3 ARG 74 3HB ARG 74 -8.018 13.494 -15.667 578 HG2 ARG 74 2HG ARG 74 -7.889 13.178 -13.129 579 HG3 ARG 74 3HG ARG 74 -6.138 13.246 -13.307 580 HD2 ARG 74 2HD ARG 74 -6.297 15.461 -14.326 581 HD3 ARG 74 3HD ARG 74 -8.057 15.392 -14.245 582 HE ARG 74 HE ARG 74 -7.898 16.027 -11.992 583 HH11 ARG 74 1HH2 ARG 74 -4.949 14.582 -13.076 584 HH12 ARG 74 2HH2 ARG 74 -4.106 14.894 -11.596 585 HH21 ARG 74 1HH1 ARG 74 -6.806 16.440 -10.074 586 HH22 ARG 74 2HH1 ARG 74 -5.155 15.946 -9.901 587 HA PRO 75 HA PRO 75 -5.124 9.088 -12.500 588 HB2 PRO 75 2HB PRO 75 -2.848 11.020 -12.670 589 HB3 PRO 75 3HB PRO 75 -2.830 9.247 -12.762 590 HG2 PRO 75 2HG PRO 75 -2.466 10.735 -14.936 591 HG3 PRO 75 3HG PRO 75 -3.394 9.225 -15.000 592 HD2 PRO 75 2HD PRO 75 -4.396 12.053 -14.986 593 HD3 PRO 75 3HD PRO 75 -4.981 10.643 -15.894 594 H THR 76 H THR 76 -5.128 9.323 -10.258 595 HA THR 76 HA THR 76 -4.722 11.886 -8.956 596 HB THR 76 HB THR 76 -7.520 10.741 -9.140 597 HG1 THR 76 HG1 THR 76 -7.796 13.059 -9.779 598 HG21 THR 76 3HG2 THR 76 -8.057 12.764 -7.671 599 HG22 THR 76 1HG2 THR 76 -6.326 12.857 -7.340 600 HG23 THR 76 2HG2 THR 76 -7.238 11.423 -6.871 601 H ALA 77 H ALA 77 -5.831 8.511 -8.787 602 HA ALA 77 HA ALA 77 -4.456 8.298 -6.163 603 HB1 ALA 77 3HB ALA 77 -6.479 7.114 -5.198 604 HB2 ALA 77 1HB ALA 77 -7.398 7.730 -6.570 605 HB3 ALA 77 2HB ALA 77 -6.670 8.853 -5.423 606 H ILE 78 H ILE 78 -3.960 6.148 -5.566 607 HA ILE 78 HA ILE 78 -4.385 4.071 -7.682 608 HB ILE 78 HB ILE 78 -1.854 4.684 -6.135 609 HG12 ILE 78 2HG1 ILE 78 -2.349 4.641 -9.124 610 HG13 ILE 78 3HG1 ILE 78 -2.453 6.108 -8.152 611 HG21 ILE 78 1HG2 ILE 78 -0.964 2.809 -7.677 612 HG22 ILE 78 2HG2 ILE 78 -2.655 2.359 -7.888 613 HG23 ILE 78 3HG2 ILE 78 -1.928 2.321 -6.284 614 HD11 ILE 78 3HD1 ILE 78 -0.011 4.321 -8.373 615 HD12 ILE 78 1HD1 ILE 78 -0.120 5.803 -7.422 616 HD13 ILE 78 2HD1 ILE 78 -0.217 5.875 -9.182 617 H GLU 79 H GLU 79 -4.114 1.838 -6.813 618 HA GLU 79 HA GLU 79 -4.570 1.617 -3.870 619 HB2 GLU 79 2HB GLU 79 -6.789 1.681 -4.962 620 HB3 GLU 79 3HB GLU 79 -6.316 0.326 -5.988 621 HG2 GLU 79 2HG GLU 79 -6.016 -1.098 -4.013 622 HG3 GLU 79 3HG GLU 79 -6.411 0.258 -2.955 623 H ALA 80 H ALA 80 -4.025 -0.444 -3.019 624 HA ALA 80 HA ALA 80 -2.811 -2.425 -4.870 625 HB1 ALA 80 3HB ALA 80 -0.718 -2.487 -3.719 626 HB2 ALA 80 1HB ALA 80 -1.317 -1.438 -2.436 627 HB3 ALA 80 2HB ALA 80 -1.033 -0.783 -4.048 628 H THR 81 H THR 81 -2.836 -4.522 -4.049 629 HA THR 81 HA THR 81 -4.190 -4.890 -1.397 630 HB THR 81 HB THR 81 -4.528 -6.537 -3.916 631 HG1 THR 81 HG1 THR 81 -6.770 -5.703 -3.437 632 HG21 THR 81 3HG2 THR 81 -6.409 -7.526 -2.446 633 HG22 THR 81 1HG2 THR 81 -5.534 -6.821 -1.085 634 HG23 THR 81 2HG2 THR 81 -4.755 -8.033 -2.103 635 H VAL 82 H VAL 82 -3.169 -6.232 -0.011 636 HA VAL 82 HA VAL 82 -0.822 -7.795 -1.033 637 HB VAL 82 HB VAL 82 -1.358 -6.506 1.653 638 HG11 VAL 82 1HG1 VAL 82 0.993 -7.402 2.151 639 HG12 VAL 82 2HG1 VAL 82 0.761 -8.477 0.772 640 HG13 VAL 82 3HG1 VAL 82 -0.312 -8.589 2.165 641 HG21 VAL 82 3HG2 VAL 82 0.607 -5.187 1.110 642 HG22 VAL 82 1HG2 VAL 82 -0.512 -5.093 -0.250 643 HG23 VAL 82 2HG2 VAL 82 0.899 -6.147 -0.342 644 H ILE 83 H ILE 83 -0.860 -9.944 -0.761 645 HA ILE 83 HA ILE 83 -3.252 -11.247 0.258 646 HB ILE 83 HB ILE 83 -0.609 -12.518 -0.485 647 HG12 ILE 83 2HG1 ILE 83 -1.273 -11.107 -2.338 648 HG13 ILE 83 3HG1 ILE 83 -1.663 -12.774 -2.760 649 HG21 ILE 83 1HG2 ILE 83 -2.041 -14.451 -1.031 650 HG22 ILE 83 2HG2 ILE 83 -3.462 -13.540 -0.522 651 HG23 ILE 83 3HG2 ILE 83 -2.228 -13.980 0.658 652 HD11 ILE 83 3HD1 ILE 83 -3.617 -11.611 -3.360 653 HD12 ILE 83 1HD1 ILE 83 -3.526 -10.546 -1.959 654 HD13 ILE 83 2HD1 ILE 83 -4.014 -12.229 -1.757 655 H LEU 84 H LEU 84 -3.576 -12.025 2.266 656 HA LEU 84 HA LEU 84 -1.245 -12.252 4.142 657 HB2 LEU 84 2HB LEU 84 -4.088 -11.469 4.853 658 HB3 LEU 84 3HB LEU 84 -2.686 -11.464 5.922 659 HG LEU 84 HG LEU 84 -2.910 -9.755 3.425 660 HD11 LEU 84 1HD1 LEU 84 -3.300 -7.878 4.974 661 HD12 LEU 84 2HD1 LEU 84 -3.317 -9.000 6.335 662 HD13 LEU 84 3HD1 LEU 84 -4.582 -9.082 5.108 663 HD21 LEU 84 3HD2 LEU 84 -0.913 -9.975 5.686 664 HD22 LEU 84 1HD2 LEU 84 -1.032 -8.517 4.702 665 HD23 LEU 84 2HD2 LEU 84 -0.608 -10.053 3.950 666 H ASN 85 H ASN 85 -2.321 -14.300 2.428 667 HA ASN 85 HA ASN 85 -4.149 -16.034 3.796 668 HB2 ASN 85 2HB ASN 85 -1.990 -16.563 1.737 669 HB3 ASN 85 3HB ASN 85 -3.091 -17.814 2.314 670 HD21 ASN 85 1HD2 ASN 85 -3.087 -16.978 -0.439 671 HD22 ASN 85 2HD2 ASN 85 -4.560 -16.195 -0.753 672 H SER 86 H SER 86 -0.610 -15.754 3.851 673 HA SER 86 HA SER 86 -0.217 -18.095 5.503 674 HB2 SER 86 2HB SER 86 2.044 -17.570 5.366 675 HB3 SER 86 3HB SER 86 1.445 -16.655 3.988 676 HG SER 86 HG SER 86 2.516 -15.778 6.327 677 H GLN 87 H GLN 87 0.454 -18.092 7.722 678 HA GLN 87 HA GLN 87 -1.043 -16.237 9.404 679 HB2 GLN 87 2HB GLN 87 0.911 -18.182 10.573 680 HB3 GLN 87 3HB GLN 87 -0.716 -17.771 11.106 681 HG2 GLN 87 2HG GLN 87 -1.022 -19.919 10.229 682 HG3 GLN 87 3HG GLN 87 -1.457 -18.906 8.854 683 HE21 GLN 87 1HE2 GLN 87 1.512 -20.443 10.247 684 HE22 GLN 87 2HE2 GLN 87 2.171 -20.861 8.739 685 HA PRO 88 HA PRO 88 3.487 -15.124 10.797 686 HB2 PRO 88 2HB PRO 88 5.421 -15.348 8.838 687 HB3 PRO 88 3HB PRO 88 5.076 -16.623 10.023 688 HG2 PRO 88 2HG PRO 88 4.157 -16.371 7.193 689 HG3 PRO 88 3HG PRO 88 4.731 -17.804 8.065 690 HD2 PRO 88 2HD PRO 88 2.118 -17.347 7.641 691 HD3 PRO 88 3HD PRO 88 2.681 -18.153 9.111 692 H GLU 89 H GLU 89 2.235 -14.579 7.592 693 HA GLU 89 HA GLU 89 3.495 -12.015 7.150 694 HB2 GLU 89 2HB GLU 89 2.541 -13.397 5.320 695 HB3 GLU 89 3HB GLU 89 0.930 -13.140 5.985 696 HG2 GLU 89 2HG GLU 89 1.242 -11.566 4.193 697 HG3 GLU 89 3HG GLU 89 1.315 -10.655 5.700 698 H TRP 90 H TRP 90 0.459 -13.078 8.603 699 HA TRP 90 HA TRP 90 -0.768 -10.513 8.865 700 HB2 TRP 90 2HB TRP 90 -1.043 -13.167 10.233 701 HB3 TRP 90 3HB TRP 90 -1.806 -11.774 10.994 702 HD1 TRP 90 HD1 TRP 90 -2.392 -14.334 8.423 703 HE1 TRP 90 HE1 TRP 90 -4.452 -13.727 6.993 704 HE3 TRP 90 HE3 TRP 90 -3.052 -9.477 9.847 705 HZ2 TRP 90 HZ2 TRP 90 -6.153 -11.474 6.520 706 HZ3 TRP 90 HZ3 TRP 90 -4.892 -8.122 8.892 707 HH2 TRP 90 HH2 TRP 90 -6.443 -9.114 7.231 708 H ASP 91 H ASP 91 1.413 -12.301 11.016 709 HA ASP 91 HA ASP 91 1.380 -10.475 13.199 710 HB2 ASP 91 2HB ASP 91 3.509 -12.351 12.160 711 HB3 ASP 91 3HB ASP 91 3.696 -11.437 13.656 712 H ARG 92 H ARG 92 3.640 -10.688 10.450 713 HA ARG 92 HA ARG 92 5.091 -8.293 11.155 714 HB2 ARG 92 2HB ARG 92 6.007 -10.081 9.678 715 HB3 ARG 92 3HB ARG 92 4.823 -9.634 8.451 716 HG2 ARG 92 2HG ARG 92 5.770 -7.410 8.261 717 HG3 ARG 92 3HG ARG 92 6.869 -7.721 9.604 718 HD2 ARG 92 2HD ARG 92 8.065 -7.981 7.481 719 HD3 ARG 92 3HD ARG 92 7.928 -9.547 8.280 720 HE ARG 92 HE ARG 92 5.718 -9.158 6.484 721 HH11 ARG 92 1HH2 ARG 92 9.109 -9.804 6.606 722 HH12 ARG 92 2HH2 ARG 92 9.123 -10.691 5.119 723 HH21 ARG 92 1HH1 ARG 92 5.728 -10.313 4.551 724 HH22 ARG 92 2HH1 ARG 92 7.213 -10.978 3.957 725 H PHE 93 H PHE 93 2.398 -8.975 8.965 726 HA PHE 93 HA PHE 93 2.192 -6.397 7.770 727 HB2 PHE 93 2HB PHE 93 0.977 -8.438 6.994 728 HB3 PHE 93 3HB PHE 93 -0.052 -8.321 8.420 729 HD1 PHE 93 HD1 PHE 93 0.909 -6.675 5.252 730 HD2 PHE 93 HD2 PHE 93 -1.783 -6.654 8.597 731 HE1 PHE 93 HE1 PHE 93 -0.534 -5.036 4.080 732 HE2 PHE 93 HE2 PHE 93 -3.225 -5.014 7.426 733 HZ PHE 93 HZ PHE 93 -2.604 -4.205 5.168 734 H MET 94 H MET 94 0.618 -7.743 10.667 735 HA MET 94 HA MET 94 -0.892 -5.402 11.337 736 HB2 MET 94 2HB MET 94 -1.268 -7.657 12.329 737 HB3 MET 94 3HB MET 94 0.262 -7.504 13.189 738 HG2 MET 94 2HG MET 94 -0.569 -5.530 14.381 739 HG3 MET 94 3HG MET 94 -2.085 -5.609 13.483 740 HE1 MET 94 3HE MET 94 -0.463 -8.306 16.754 741 HE2 MET 94 1HE MET 94 0.399 -7.222 15.655 742 HE3 MET 94 2HE MET 94 -0.048 -8.841 15.128 743 H ARG 95 H ARG 95 2.323 -6.514 12.350 744 HA ARG 95 HA ARG 95 2.886 -4.318 14.108 745 HB2 ARG 95 2HB ARG 95 4.667 -6.224 12.580 746 HB3 ARG 95 3HB ARG 95 5.302 -5.017 13.697 747 HG2 ARG 95 2HG ARG 95 3.964 -5.986 15.521 748 HG3 ARG 95 3HG ARG 95 3.290 -7.174 14.406 749 HD2 ARG 95 2HD ARG 95 5.532 -8.097 14.006 750 HD3 ARG 95 3HD ARG 95 6.236 -6.887 15.077 751 HE ARG 95 HE ARG 95 4.173 -8.441 16.400 752 HH11 ARG 95 1HH2 ARG 95 7.473 -8.374 15.382 753 HH12 ARG 95 2HH2 ARG 95 8.009 -9.455 16.624 754 HH21 ARG 95 1HH1 ARG 95 4.862 -9.845 18.016 755 HH22 ARG 95 2HH1 ARG 95 6.534 -10.286 18.112 756 H PHE 96 H PHE 96 3.415 -4.817 10.651 757 HA PHE 96 HA PHE 96 5.041 -2.537 10.133 758 HB2 PHE 96 2HB PHE 96 4.647 -4.305 8.468 759 HB3 PHE 96 3HB PHE 96 2.947 -3.848 8.380 760 HD1 PHE 96 HD1 PHE 96 6.382 -2.400 7.983 761 HD2 PHE 96 HD2 PHE 96 2.255 -2.255 6.798 762 HE1 PHE 96 HE1 PHE 96 6.933 -0.696 6.267 763 HE2 PHE 96 HE2 PHE 96 2.807 -0.549 5.083 764 HZ PHE 96 HZ PHE 96 5.146 0.229 4.817 765 H MET 97 H MET 97 1.506 -2.905 10.114 766 HA MET 97 HA MET 97 0.913 -0.193 9.386 767 HB2 MET 97 2HB MET 97 -0.644 -2.330 10.848 768 HB3 MET 97 3HB MET 97 -1.327 -0.742 10.504 769 HG2 MET 97 2HG MET 97 -0.946 -1.079 8.101 770 HG3 MET 97 3HG MET 97 -0.200 -2.643 8.429 771 HE1 MET 97 3HE MET 97 -4.532 -1.334 8.769 772 HE2 MET 97 1HE MET 97 -3.050 -0.369 8.821 773 HE3 MET 97 2HE MET 97 -3.621 -1.191 10.271 774 H GLU 98 H GLU 98 1.351 -1.813 12.506 775 HA GLU 98 HA GLU 98 0.654 0.478 14.121 776 HB2 GLU 98 2HB GLU 98 2.308 -1.994 14.694 777 HB3 GLU 98 3HB GLU 98 1.888 -0.801 15.924 778 HG2 GLU 98 2HG GLU 98 -0.503 -1.190 15.500 779 HG3 GLU 98 3HG GLU 98 -0.100 -2.349 14.234 780 H ARG 99 H ARG 99 3.751 -0.859 12.992 781 HA ARG 99 HA ARG 99 5.395 1.154 14.237 782 HB2 ARG 99 2HB ARG 99 5.850 -0.691 11.886 783 HB3 ARG 99 3HB ARG 99 7.099 0.382 12.515 784 HG2 ARG 99 2HG ARG 99 6.914 -0.682 14.726 785 HG3 ARG 99 3HG ARG 99 5.642 -1.740 14.118 786 HD2 ARG 99 2HD ARG 99 7.209 -2.688 12.469 787 HD3 ARG 99 3HD ARG 99 8.487 -1.635 13.073 788 HE ARG 99 HE ARG 99 7.414 -4.019 14.439 789 HH11 ARG 99 1HH2 ARG 99 9.315 -1.132 14.561 790 HH12 ARG 99 2HH2 ARG 99 10.219 -1.639 15.948 791 HH21 ARG 99 1HH1 ARG 99 8.587 -4.679 16.237 792 HH22 ARG 99 2HH1 ARG 99 9.808 -3.640 16.896 793 H TYR 100 H TYR 100 3.882 0.882 11.051 794 HA TYR 100 HA TYR 100 5.089 3.171 9.846 795 HB2 TYR 100 2HB TYR 100 3.796 1.544 8.540 796 HB3 TYR 100 3HB TYR 100 2.333 1.976 9.426 797 HD1 TYR 100 HD2 TYR 100 4.993 3.391 7.221 798 HD2 TYR 100 HD1 TYR 100 0.985 3.789 8.715 799 HE1 TYR 100 HE2 TYR 100 4.582 5.244 5.624 800 HE2 TYR 100 HE1 TYR 100 0.574 5.642 7.116 801 HH TYR 100 HH TYR 100 2.635 6.318 4.517 802 H GLY 101 H GLY 101 2.076 2.823 11.699 803 HA2 GLY 101 2HA GLY 101 1.312 5.588 11.564 804 HA3 GLY 101 3HA GLY 101 0.735 4.427 12.759 805 H ALA 102 H ALA 102 3.377 3.767 13.766 806 HA ALA 102 HA ALA 102 3.637 5.800 15.778 807 HB1 ALA 102 3HB ALA 102 5.582 4.538 16.525 808 HB2 ALA 102 1HB ALA 102 5.675 3.707 14.973 809 HB3 ALA 102 2HB ALA 102 4.318 3.400 16.054 810 H GLU 103 H GLU 103 5.422 5.105 12.806 811 HA GLU 103 HA GLU 103 7.461 7.110 13.209 812 HB2 GLU 103 2HB GLU 103 6.408 5.755 10.713 813 HB3 GLU 103 3HB GLU 103 7.815 6.816 10.726 814 HG2 GLU 103 2HG GLU 103 7.543 4.316 12.421 815 HG3 GLU 103 3HG GLU 103 8.410 4.385 10.886 816 H ASN 104 H ASN 104 4.308 7.100 11.601 817 HA ASN 104 HA ASN 104 4.600 9.859 10.650 818 HB2 ASN 104 2HB ASN 104 2.132 8.112 10.815 819 HB3 ASN 104 3HB ASN 104 2.285 9.605 9.890 820 HD21 ASN 104 1HD2 ASN 104 5.006 9.074 8.921 821 HD22 ASN 104 2HD2 ASN 104 4.888 7.805 7.800 822 H GLY 105 H GLY 105 1.978 8.487 12.620 823 HA2 GLY 105 2HA GLY 105 2.125 9.567 15.061 824 HA3 GLY 105 3HA GLY 105 1.814 11.034 14.129 825 H LEU 106 H LEU 106 0.516 7.749 13.676 826 HA LEU 106 HA LEU 106 -2.093 8.412 14.736 827 HB2 LEU 106 2HB LEU 106 -3.346 8.410 12.632 828 HB3 LEU 106 3HB LEU 106 -2.182 9.735 12.659 829 HG LEU 106 HG LEU 106 -0.671 7.698 11.532 830 HD11 LEU 106 1HD1 LEU 106 -2.893 6.377 11.454 831 HD12 LEU 106 2HD1 LEU 106 -1.940 6.456 9.972 832 HD13 LEU 106 3HD1 LEU 106 -3.358 7.489 10.167 833 HD21 LEU 106 3HD2 LEU 106 -1.139 8.868 9.354 834 HD22 LEU 106 1HD2 LEU 106 -0.730 9.963 10.676 835 HD23 LEU 106 2HD2 LEU 106 -2.410 9.778 10.173 836 H GLY 107 H GLY 107 -3.004 6.535 15.318 837 HA2 GLY 107 2HA GLY 107 -1.885 3.997 14.234 838 HA3 GLY 107 3HA GLY 107 -2.800 4.171 15.733 839 H PHE 108 H PHE 108 -5.124 5.031 15.341 840 HA PHE 108 HA PHE 108 -6.403 3.169 13.498 841 HB2 PHE 108 2HB PHE 108 -8.503 4.038 14.415 842 HB3 PHE 108 3HB PHE 108 -7.370 3.670 15.715 843 HD1 PHE 108 HD1 PHE 108 -9.000 6.370 13.794 844 HD2 PHE 108 HD2 PHE 108 -6.345 5.435 17.040 845 HE1 PHE 108 HE1 PHE 108 -9.163 8.710 14.604 846 HE2 PHE 108 HE2 PHE 108 -6.507 7.776 17.846 847 HZ PHE 108 HZ PHE 108 -7.916 9.412 16.627 848 H SER 109 H SER 109 -7.540 3.655 11.628 849 HA SER 109 HA SER 109 -7.202 6.431 10.535 850 HB2 SER 109 2HB SER 109 -7.300 5.269 8.291 851 HB3 SER 109 3HB SER 109 -5.869 4.887 9.247 852 HG SER 109 HG SER 109 -7.723 3.235 8.305 853 H LYS 110 H LYS 110 -9.108 3.841 9.110 854 HA LYS 110 HA LYS 110 -11.646 5.140 9.990 855 HB2 LYS 110 2HB LYS 110 -10.808 4.675 7.115 856 HB3 LYS 110 3HB LYS 110 -12.455 5.065 7.604 857 HG2 LYS 110 2HG LYS 110 -11.668 7.179 8.595 858 HG3 LYS 110 3HG LYS 110 -10.013 6.786 8.131 859 HD2 LYS 110 2HD LYS 110 -10.717 6.725 5.747 860 HD3 LYS 110 3HD LYS 110 -12.345 7.200 6.237 861 HE2 LYS 110 2HE LYS 110 -9.852 8.819 6.835 862 HE3 LYS 110 3HE LYS 110 -10.933 9.133 5.477 863 HZ1 LYS 110 3HZ LYS 110 -12.746 9.170 7.277 864 HZ2 LYS 110 1HZ LYS 110 -11.735 10.523 7.117 865 HZ3 LYS 110 2HZ LYS 110 -11.461 9.402 8.364 866 H SER 111 H SER 111 -10.440 2.586 7.790 867 HA SER 111 HA SER 111 -12.696 0.855 8.217 868 HB2 SER 111 2HB SER 111 -11.161 0.662 6.271 869 HB3 SER 111 3HB SER 111 -9.879 0.147 7.362 870 HG SER 111 HG SER 111 -12.165 -1.271 7.728 871 H GLU 112 H GLU 112 -9.995 1.612 10.156 872 HA GLU 112 HA GLU 112 -9.702 -0.881 11.578 873 HB2 GLU 112 2HB GLU 112 -9.113 1.978 12.398 874 HB3 GLU 112 3HB GLU 112 -8.601 0.559 13.311 875 HG2 GLU 112 2HG GLU 112 -7.862 1.096 10.419 876 HG3 GLU 112 3HG GLU 112 -6.816 1.450 11.795 877 H LEU 113 H LEU 113 -11.629 2.051 12.146 878 HA LEU 113 HA LEU 113 -12.770 1.163 14.639 879 HB2 LEU 113 2HB LEU 113 -13.517 3.241 12.590 880 HB3 LEU 113 3HB LEU 113 -14.591 2.898 13.947 881 HG LEU 113 HG LEU 113 -12.650 3.295 15.499 882 HD11 LEU 113 1HD1 LEU 113 -11.343 4.034 12.875 883 HD12 LEU 113 2HD1 LEU 113 -10.760 2.915 14.109 884 HD13 LEU 113 3HD1 LEU 113 -10.760 4.650 14.421 885 HD21 LEU 113 3HD2 LEU 113 -13.481 5.521 13.627 886 HD22 LEU 113 1HD2 LEU 113 -12.639 5.779 15.155 887 HD23 LEU 113 2HD2 LEU 113 -14.251 5.064 15.144 888 H GLU 114 H GLU 114 -13.863 1.016 11.266 889 HA GLU 114 HA GLU 114 -15.871 0.047 10.397 890 HB2 GLU 114 2HB GLU 114 -15.633 -2.477 10.593 891 HB3 GLU 114 3HB GLU 114 -14.218 -1.625 9.975 892 HG2 GLU 114 2HG GLU 114 -13.150 -1.707 12.137 893 HG3 GLU 114 3HG GLU 114 -14.591 -2.399 12.880 894 H HIS 115 H HIS 115 -16.916 1.260 12.461 895 HA HIS 115 HA HIS 115 -18.602 -0.805 13.829 896 HB2 HIS 115 2HB HIS 115 -17.374 1.691 15.026 897 HB3 HIS 115 3HB HIS 115 -18.657 0.766 15.804 898 HD1 HIS 115 HD1 HIS 115 -15.401 1.095 16.513 899 HD2 HIS 115 HD2 HIS 115 -17.475 -2.282 15.215 900 HE1 HIS 115 HE1 HIS 115 -14.018 -0.912 17.205 901 H HIS 116 H HIS 116 -20.743 -0.379 13.866 902 HA HIS 116 HA HIS 116 -21.764 2.301 13.172 903 HB2 HIS 116 2HB HIS 116 -22.274 -0.169 11.481 904 HB3 HIS 116 3HB HIS 116 -23.184 1.335 11.335 905 HD1 HIS 116 HD1 HIS 116 -19.699 -0.063 10.858 906 HD2 HIS 116 HD2 HIS 116 -21.850 3.394 9.958 907 HE1 HIS 116 HE1 HIS 116 -18.240 1.305 9.302 908 H HIS 117 H HIS 117 -21.963 1.101 15.599 909 HA HIS 117 HA HIS 117 -24.255 -0.607 15.953 910 HB2 HIS 117 2HB HIS 117 -22.809 1.274 17.835 911 HB3 HIS 117 3HB HIS 117 -24.103 0.196 18.352 912 HD1 HIS 117 HD1 HIS 117 -23.647 -2.419 18.026 913 HD2 HIS 117 HD2 HIS 117 -20.314 0.038 17.543 914 HE1 HIS 117 HE1 HIS 117 -21.620 -3.930 18.148 915 H HIS 118 H HIS 118 -23.793 2.892 15.960 916 HA HIS 118 HA HIS 118 -25.336 4.661 16.001 917 HB2 HIS 118 2HB HIS 118 -26.901 2.518 14.542 918 HB3 HIS 118 3HB HIS 118 -27.466 4.181 14.708 919 HD1 HIS 118 HD1 HIS 118 -25.613 6.046 13.845 920 HD2 HIS 118 HD2 HIS 118 -25.238 2.167 12.363 921 HE1 HIS 118 HE1 HIS 118 -24.165 6.208 11.774 922 H HIS 119 H HIS 119 -28.172 2.748 16.025 923 HA HIS 119 HA HIS 119 -28.386 2.724 18.975 924 HB2 HIS 119 2HB HIS 119 -29.132 5.000 18.255 925 HB3 HIS 119 3HB HIS 119 -30.356 4.242 17.237 926 HD1 HIS 119 HD1 HIS 119 -29.283 4.005 20.900 927 HD2 HIS 119 HD2 HIS 119 -32.746 4.016 18.580 928 HE1 HIS 119 HE1 HIS 119 -31.227 3.857 22.516 929 H HIS 120 H HIS 120 -28.518 0.964 16.403 930 HA HIS 120 HA HIS 120 -30.659 -0.782 17.417 931 HB2 HIS 120 2HB HIS 120 -30.758 0.393 14.621 932 HB3 HIS 120 3HB HIS 120 -31.745 -0.963 15.165 933 HD1 HIS 120 HD1 HIS 120 -33.332 -0.416 17.313 934 HD2 HIS 120 HD2 HIS 120 -31.831 2.876 15.238 935 HE1 HIS 120 HE1 HIS 120 -34.750 1.568 17.995 Start of MODEL 5 1 H1 MET 1 1H MET 1 11.613 3.256 10.292 2 H2 MET 1 2H MET 1 11.278 1.737 10.980 3 H3 MET 1 3H MET 1 10.095 2.535 10.059 4 HA MET 1 HA MET 1 12.280 2.348 8.398 5 HB2 MET 1 2HB MET 1 11.748 -0.187 9.981 6 HB3 MET 1 3HB MET 1 12.577 -0.174 8.424 7 HG2 MET 1 2HG MET 1 13.475 1.420 10.842 8 HG3 MET 1 3HG MET 1 14.144 -0.146 10.386 9 HE1 MET 1 3HE MET 1 15.688 2.610 10.807 10 HE2 MET 1 1HE MET 1 16.881 2.538 9.503 11 HE3 MET 1 2HE MET 1 16.509 1.095 10.442 12 H ALA 2 H ALA 2 9.143 1.891 9.446 13 HA ALA 2 HA ALA 2 8.204 0.332 7.155 14 HB1 ALA 2 3HB ALA 2 6.926 -0.002 9.117 15 HB2 ALA 2 1HB ALA 2 5.917 1.055 8.130 16 HB3 ALA 2 2HB ALA 2 6.855 1.725 9.464 17 H GLU 3 H GLU 3 7.915 1.227 5.198 18 HA GLU 3 HA GLU 3 6.646 3.859 4.940 19 HB2 GLU 3 2HB GLU 3 8.469 4.727 3.450 20 HB3 GLU 3 3HB GLU 3 8.960 4.565 5.137 21 HG2 GLU 3 2HG GLU 3 10.000 2.383 4.624 22 HG3 GLU 3 3HG GLU 3 9.517 2.554 2.936 23 H ILE 4 H ILE 4 6.051 4.306 2.701 24 HA ILE 4 HA ILE 4 5.715 1.792 1.117 25 HB ILE 4 HB ILE 4 4.168 4.366 0.766 26 HG12 ILE 4 2HG1 ILE 4 3.911 3.671 3.107 27 HG13 ILE 4 3HG1 ILE 4 2.426 3.335 2.219 28 HG21 ILE 4 1HG2 ILE 4 2.481 2.757 -0.151 29 HG22 ILE 4 2HG2 ILE 4 3.647 1.455 0.081 30 HG23 ILE 4 3HG2 ILE 4 3.995 2.756 -1.057 31 HD11 ILE 4 3HD1 ILE 4 2.891 1.390 3.552 32 HD12 ILE 4 1HD1 ILE 4 4.573 1.361 3.029 33 HD13 ILE 4 2HD1 ILE 4 3.286 0.970 1.888 34 H GLN 5 H GLN 5 6.741 1.620 -0.761 35 HA GLN 5 HA GLN 5 7.584 4.085 -2.212 36 HB2 GLN 5 2HB GLN 5 9.356 1.747 -1.452 37 HB3 GLN 5 3HB GLN 5 9.802 2.972 -2.642 38 HG2 GLN 5 2HG GLN 5 9.538 4.732 -0.933 39 HG3 GLN 5 3HG GLN 5 9.090 3.513 0.257 40 HE21 GLN 5 1HE2 GLN 5 10.850 3.195 1.621 41 HE22 GLN 5 2HE2 GLN 5 12.465 3.066 1.114 42 H PHE 6 H PHE 6 7.341 3.890 -4.390 43 HA PHE 6 HA PHE 6 6.351 1.278 -5.446 44 HB2 PHE 6 2HB PHE 6 6.033 4.151 -6.330 45 HB3 PHE 6 3HB PHE 6 5.645 2.807 -7.401 46 HD1 PHE 6 HD2 PHE 6 4.109 0.938 -6.369 47 HD2 PHE 6 HD1 PHE 6 4.375 4.955 -4.871 48 HE1 PHE 6 HE2 PHE 6 1.913 0.667 -5.254 49 HE2 PHE 6 HE1 PHE 6 2.180 4.682 -3.751 50 HZ PHE 6 HZ PHE 6 0.948 2.537 -3.945 51 H SER 7 H SER 7 9.055 3.364 -5.434 52 HA SER 7 HA SER 7 10.517 1.636 -7.238 53 HB2 SER 7 2HB SER 7 9.846 4.420 -8.224 54 HB3 SER 7 3HB SER 7 10.998 3.323 -8.980 55 HG SER 7 HG SER 7 9.323 1.905 -9.398 56 H LYS 8 H LYS 8 12.756 2.583 -7.664 57 HA LYS 8 HA LYS 8 13.835 3.544 -5.144 58 HB2 LYS 8 2HB LYS 8 15.104 3.012 -7.837 59 HB3 LYS 8 3HB LYS 8 16.009 3.471 -6.393 60 HG2 LYS 8 2HG LYS 8 15.218 1.493 -5.214 61 HG3 LYS 8 3HG LYS 8 14.179 1.061 -6.569 62 HD2 LYS 8 2HD LYS 8 16.095 -0.308 -6.844 63 HD3 LYS 8 3HD LYS 8 16.335 1.017 -7.982 64 HE2 LYS 8 2HE LYS 8 17.882 2.115 -6.507 65 HE3 LYS 8 3HE LYS 8 17.481 1.031 -5.177 66 HZ1 LYS 8 3HZ LYS 8 18.230 -0.610 -7.238 67 HZ2 LYS 8 1HZ LYS 8 19.152 -0.222 -5.869 68 HZ3 LYS 8 2HZ LYS 8 19.339 0.676 -7.299 69 H GLY 9 H GLY 9 14.681 5.542 -4.672 70 HA2 GLY 9 2HA GLY 9 15.327 7.792 -5.018 71 HA3 GLY 9 3HA GLY 9 14.925 7.622 -6.728 72 H VAL 10 H VAL 10 12.616 6.601 -4.348 73 HA VAL 10 HA VAL 10 10.885 8.943 -5.043 74 HB VAL 10 HB VAL 10 8.980 7.531 -4.637 75 HG11 VAL 10 1HG1 VAL 10 11.144 6.127 -6.219 76 HG12 VAL 10 2HG1 VAL 10 9.906 7.219 -6.834 77 HG13 VAL 10 3HG1 VAL 10 9.456 5.627 -6.227 78 HG21 VAL 10 3HG2 VAL 10 11.043 5.618 -3.522 79 HG22 VAL 10 1HG2 VAL 10 9.436 5.074 -4.007 80 HG23 VAL 10 2HG2 VAL 10 9.611 6.267 -2.721 81 H ALA 11 H ALA 11 12.142 6.961 -2.452 82 HA ALA 11 HA ALA 11 12.224 7.309 -0.137 83 HB1 ALA 11 3HB ALA 11 12.536 9.581 0.614 84 HB2 ALA 11 1HB ALA 11 11.789 10.220 -0.851 85 HB3 ALA 11 2HB ALA 11 13.349 9.406 -0.941 86 H GLU 12 H GLU 12 10.948 8.207 1.754 87 HA GLU 12 HA GLU 12 8.126 7.632 1.298 88 HB2 GLU 12 2HB GLU 12 7.917 7.715 3.705 89 HB3 GLU 12 3HB GLU 12 9.409 6.862 3.317 90 HG2 GLU 12 2HG GLU 12 10.644 9.043 3.608 91 HG3 GLU 12 3HG GLU 12 9.142 9.746 4.209 92 H THR 13 H THR 13 6.450 9.047 1.350 93 HA THR 13 HA THR 13 6.637 11.757 2.328 94 HB THR 13 HB THR 13 6.348 11.510 -0.672 95 HG1 THR 13 HG1 THR 13 8.566 12.394 -0.591 96 HG21 THR 13 3HG2 THR 13 6.569 13.863 -0.674 97 HG22 THR 13 1HG2 THR 13 7.231 13.890 0.959 98 HG23 THR 13 2HG2 THR 13 5.523 13.531 0.706 99 H VAL 14 H VAL 14 5.041 9.370 0.297 100 HA VAL 14 HA VAL 14 2.432 10.679 0.478 101 HB VAL 14 HB VAL 14 3.054 7.864 -0.444 102 HG11 VAL 14 1HG1 VAL 14 0.727 9.762 -0.803 103 HG12 VAL 14 2HG1 VAL 14 0.704 8.106 -0.195 104 HG13 VAL 14 3HG1 VAL 14 1.001 8.415 -1.906 105 HG21 VAL 14 3HG2 VAL 14 2.994 9.021 -2.746 106 HG22 VAL 14 1HG2 VAL 14 4.443 9.265 -1.773 107 HG23 VAL 14 2HG2 VAL 14 3.217 10.529 -1.863 108 H VAL 15 H VAL 15 0.824 10.232 1.917 109 HA VAL 15 HA VAL 15 1.327 8.100 3.957 110 HB VAL 15 HB VAL 15 -0.228 9.613 5.379 111 HG11 VAL 15 1HG1 VAL 15 2.118 9.316 5.906 112 HG12 VAL 15 2HG1 VAL 15 1.751 11.037 6.008 113 HG13 VAL 15 3HG1 VAL 15 2.596 10.399 4.598 114 HG21 VAL 15 3HG2 VAL 15 -0.372 11.906 4.766 115 HG22 VAL 15 1HG2 VAL 15 -0.769 11.028 3.289 116 HG23 VAL 15 2HG2 VAL 15 0.837 11.729 3.494 117 HA PRO 16 HA PRO 16 -2.586 7.032 1.751 118 HB2 PRO 16 2HB PRO 16 -2.061 4.408 1.313 119 HB3 PRO 16 3HB PRO 16 -1.397 5.692 0.280 120 HG2 PRO 16 2HG PRO 16 -0.072 4.139 2.452 121 HG3 PRO 16 3HG PRO 16 0.583 4.695 0.903 122 HD2 PRO 16 2HD PRO 16 1.007 5.964 3.346 123 HD3 PRO 16 3HD PRO 16 1.188 6.748 1.764 124 H GLU 17 H GLU 17 -4.388 5.755 2.451 125 HA GLU 17 HA GLU 17 -4.366 5.224 5.339 126 HB2 GLU 17 2HB GLU 17 -6.264 6.394 4.143 127 HB3 GLU 17 3HB GLU 17 -6.643 4.851 3.377 128 HG2 GLU 17 2HG GLU 17 -8.052 5.045 5.321 129 HG3 GLU 17 3HG GLU 17 -6.814 3.848 5.697 130 H VAL 18 H VAL 18 -4.845 3.220 6.279 131 HA VAL 18 HA VAL 18 -4.301 0.852 4.534 132 HB VAL 18 HB VAL 18 -3.980 1.239 7.520 133 HG11 VAL 18 1HG1 VAL 18 -4.530 -1.057 7.143 134 HG12 VAL 18 2HG1 VAL 18 -2.771 -1.001 7.272 135 HG13 VAL 18 3HG1 VAL 18 -3.535 -1.126 5.687 136 HG21 VAL 18 3HG2 VAL 18 -2.278 2.427 6.241 137 HG22 VAL 18 1HG2 VAL 18 -2.006 1.013 5.230 138 HG23 VAL 18 2HG2 VAL 18 -1.552 0.977 6.933 139 H ARG 19 H ARG 19 -5.848 -0.657 4.313 140 HA ARG 19 HA ARG 19 -8.176 -0.650 6.195 141 HB2 ARG 19 2HB ARG 19 -8.204 -0.795 3.175 142 HB3 ARG 19 3HB ARG 19 -9.589 -1.224 4.178 143 HG2 ARG 19 2HG ARG 19 -9.572 1.029 5.177 144 HG3 ARG 19 3HG ARG 19 -8.181 1.462 4.181 145 HD2 ARG 19 2HD ARG 19 -9.507 1.084 2.145 146 HD3 ARG 19 3HD ARG 19 -10.896 0.620 3.126 147 HE ARG 19 HE ARG 19 -9.904 3.252 3.827 148 HH11 ARG 19 1HH2 ARG 19 -11.825 1.423 1.613 149 HH12 ARG 19 2HH2 ARG 19 -12.826 2.767 1.175 150 HH21 ARG 19 1HH1 ARG 19 -11.201 5.002 3.264 151 HH22 ARG 19 2HH1 ARG 19 -12.473 4.791 2.108 152 H LEU 20 H LEU 20 -9.003 -2.665 6.677 153 HA LEU 20 HA LEU 20 -7.398 -5.007 5.725 154 HB2 LEU 20 2HB LEU 20 -9.012 -4.702 8.269 155 HB3 LEU 20 3HB LEU 20 -7.997 -6.078 7.838 156 HG LEU 20 HG LEU 20 -7.030 -3.231 8.251 157 HD11 LEU 20 1HD1 LEU 20 -6.649 -5.730 9.925 158 HD12 LEU 20 2HD1 LEU 20 -7.689 -4.369 10.343 159 HD13 LEU 20 3HD1 LEU 20 -5.941 -4.151 10.260 160 HD21 LEU 20 3HD2 LEU 20 -5.513 -4.142 6.704 161 HD22 LEU 20 1HD2 LEU 20 -5.691 -5.777 7.341 162 HD23 LEU 20 2HD2 LEU 20 -4.764 -4.576 8.239 163 H SER 21 H SER 21 -8.420 -6.636 4.728 164 HA SER 21 HA SER 21 -11.296 -7.074 5.040 165 HB2 SER 21 2HB SER 21 -11.118 -5.247 3.309 166 HB3 SER 21 3HB SER 21 -10.224 -6.376 2.298 167 HG SER 21 HG SER 21 -12.031 -7.332 1.825 168 H LYS 22 H LYS 22 -11.967 -8.982 3.642 169 HA LYS 22 HA LYS 22 -9.664 -10.874 3.291 170 HB2 LYS 22 2HB LYS 22 -11.211 -11.390 5.202 171 HB3 LYS 22 3HB LYS 22 -12.516 -11.570 4.028 172 HG2 LYS 22 2HG LYS 22 -11.293 -13.355 2.892 173 HG3 LYS 22 3HG LYS 22 -9.925 -13.142 3.984 174 HD2 LYS 22 2HD LYS 22 -11.354 -13.754 5.899 175 HD3 LYS 22 3HD LYS 22 -12.720 -13.984 4.806 176 HE2 LYS 22 2HE LYS 22 -11.669 -16.146 5.291 177 HE3 LYS 22 3HE LYS 22 -11.429 -15.727 3.594 178 HZ1 LYS 22 3HZ LYS 22 -9.269 -15.965 3.948 179 HZ2 LYS 22 1HZ LYS 22 -9.492 -16.158 5.618 180 HZ3 LYS 22 2HZ LYS 22 -9.316 -14.601 4.961 181 H SER 23 H SER 23 -9.601 -12.077 1.432 182 HA SER 23 HA SER 23 -10.896 -11.069 -0.897 183 HB2 SER 23 2HB SER 23 -8.754 -12.273 -0.959 184 HB3 SER 23 3HB SER 23 -9.561 -13.748 -0.438 185 HG SER 23 HG SER 23 -9.720 -12.363 -2.879 186 H LYS 24 H LYS 24 -12.823 -11.502 -1.761 187 HA LYS 24 HA LYS 24 -14.776 -13.113 -0.410 188 HB2 LYS 24 2HB LYS 24 -14.770 -12.032 -3.243 189 HB3 LYS 24 3HB LYS 24 -16.185 -12.636 -2.386 190 HG2 LYS 24 2HG LYS 24 -14.517 -10.387 -1.254 191 HG3 LYS 24 3HG LYS 24 -15.796 -10.071 -2.426 192 HD2 LYS 24 2HD LYS 24 -17.421 -11.212 -0.934 193 HD3 LYS 24 3HD LYS 24 -16.142 -11.465 0.249 194 HE2 LYS 24 2HE LYS 24 -15.815 -9.038 0.437 195 HE3 LYS 24 3HE LYS 24 -17.087 -8.771 -0.755 196 HZ1 LYS 24 3HZ LYS 24 -18.686 -9.207 0.728 197 HZ2 LYS 24 1HZ LYS 24 -17.494 -8.884 1.891 198 HZ3 LYS 24 2HZ LYS 24 -17.829 -10.489 1.445 199 H ASN 25 H ASN 25 -12.752 -13.645 -3.259 200 HA ASN 25 HA ASN 25 -13.939 -16.193 -3.925 201 HB2 ASN 25 2HB ASN 25 -12.499 -14.581 -5.398 202 HB3 ASN 25 3HB ASN 25 -11.125 -15.414 -4.676 203 HD21 ASN 25 1HD2 ASN 25 -11.497 -15.708 -7.433 204 HD22 ASN 25 2HD2 ASN 25 -12.053 -17.273 -7.778 205 H GLY 26 H GLY 26 -12.221 -15.308 -1.278 206 HA2 GLY 26 2HA GLY 26 -11.440 -16.713 0.470 207 HA3 GLY 26 3HA GLY 26 -11.553 -18.093 -0.624 208 H GLN 27 H GLN 27 -9.915 -15.291 -1.791 209 HA GLN 27 HA GLN 27 -7.448 -16.776 -2.117 210 HB2 GLN 27 2HB GLN 27 -8.388 -14.885 -3.615 211 HB3 GLN 27 3HB GLN 27 -7.711 -13.785 -2.415 212 HG2 GLN 27 2HG GLN 27 -5.488 -14.793 -2.724 213 HG3 GLN 27 3HG GLN 27 -6.156 -15.921 -3.903 214 HE21 GLN 27 1HE2 GLN 27 -5.775 -15.260 -6.008 215 HE22 GLN 27 2HE2 GLN 27 -5.688 -13.648 -6.529 216 H SER 28 H SER 28 -8.052 -16.786 0.565 217 HA SER 28 HA SER 28 -7.068 -16.436 2.647 218 HB2 SER 28 2HB SER 28 -4.744 -16.159 2.708 219 HB3 SER 28 3HB SER 28 -5.008 -16.866 1.118 220 HG SER 28 HG SER 28 -4.451 -15.036 0.214 221 H GLY 29 H GLY 29 -5.875 -14.604 3.963 222 HA2 GLY 29 2HA GLY 29 -7.662 -12.372 4.036 223 HA3 GLY 29 3HA GLY 29 -6.171 -12.517 4.961 224 H MET 30 H MET 30 -7.133 -10.108 3.713 225 HA MET 30 HA MET 30 -4.731 -9.472 2.135 226 HB2 MET 30 2HB MET 30 -6.274 -8.356 0.367 227 HB3 MET 30 3HB MET 30 -6.029 -10.097 0.277 228 HG2 MET 30 2HG MET 30 -8.144 -10.466 1.504 229 HG3 MET 30 3HG MET 30 -8.397 -8.721 1.589 230 HE1 MET 30 3HE MET 30 -9.459 -7.363 -0.016 231 HE2 MET 30 1HE MET 30 -9.426 -7.568 -1.771 232 HE3 MET 30 2HE MET 30 -7.928 -7.301 -0.884 233 H ALA 31 H ALA 31 -4.830 -7.075 1.496 234 HA ALA 31 HA ALA 31 -6.464 -5.411 3.323 235 HB1 ALA 31 3HB ALA 31 -3.434 -5.456 3.317 236 HB2 ALA 31 1HB ALA 31 -4.497 -5.818 4.677 237 HB3 ALA 31 2HB ALA 31 -4.393 -4.171 4.051 238 H LYS 32 H LYS 32 -6.886 -3.417 2.434 239 HA LYS 32 HA LYS 32 -5.747 -2.892 -0.281 240 HB2 LYS 32 2HB LYS 32 -8.340 -2.072 1.032 241 HB3 LYS 32 3HB LYS 32 -7.786 -1.402 -0.504 242 HG2 LYS 32 2HG LYS 32 -7.663 -3.683 -1.449 243 HG3 LYS 32 3HG LYS 32 -8.238 -4.343 0.082 244 HD2 LYS 32 2HD LYS 32 -10.327 -3.045 -0.144 245 HD3 LYS 32 3HD LYS 32 -9.756 -2.403 -1.685 246 HE2 LYS 32 2HE LYS 32 -10.183 -5.340 -1.070 247 HE3 LYS 32 3HE LYS 32 -11.278 -4.330 -2.014 248 HZ1 LYS 32 3HZ LYS 32 -9.081 -5.725 -2.935 249 HZ2 LYS 32 1HZ LYS 32 -8.625 -4.092 -2.975 250 HZ3 LYS 32 2HZ LYS 32 -10.022 -4.603 -3.798 251 H PHE 33 H PHE 33 -4.789 -0.958 -0.723 252 HA PHE 33 HA PHE 33 -4.437 0.959 1.557 253 HB2 PHE 33 2HB PHE 33 -2.552 0.021 -0.607 254 HB3 PHE 33 3HB PHE 33 -2.272 1.529 0.265 255 HD1 PHE 33 HD2 PHE 33 -3.188 -2.047 0.976 256 HD2 PHE 33 HD1 PHE 33 -0.982 1.425 2.216 257 HE1 PHE 33 HE2 PHE 33 -2.250 -3.323 2.876 258 HE2 PHE 33 HE1 PHE 33 -0.039 0.146 4.115 259 HZ PHE 33 HZ PHE 33 -0.669 -2.229 4.447 260 H TYR 34 H TYR 34 -5.242 2.918 1.200 261 HA TYR 34 HA TYR 34 -6.074 3.660 -1.561 262 HB2 TYR 34 2HB TYR 34 -7.689 3.696 0.415 263 HB3 TYR 34 3HB TYR 34 -6.769 5.073 1.021 264 HD1 TYR 34 HD2 TYR 34 -8.755 3.824 -1.860 265 HD2 TYR 34 HD1 TYR 34 -7.032 7.247 0.075 266 HE1 TYR 34 HE2 TYR 34 -9.996 5.317 -3.400 267 HE2 TYR 34 HE1 TYR 34 -8.271 8.744 -1.466 268 HH TYR 34 HH TYR 34 -9.528 8.839 -3.316 269 H PHE 35 H PHE 35 -4.979 5.189 -2.643 270 HA PHE 35 HA PHE 35 -2.980 6.862 -1.162 271 HB2 PHE 35 2HB PHE 35 -3.050 5.891 -4.027 272 HB3 PHE 35 3HB PHE 35 -1.869 7.042 -3.401 273 HD1 PHE 35 HD1 PHE 35 -3.210 3.593 -2.933 274 HD2 PHE 35 HD2 PHE 35 0.018 6.316 -2.174 275 HE1 PHE 35 HE1 PHE 35 -1.840 1.723 -2.048 276 HE2 PHE 35 HE2 PHE 35 1.388 4.455 -1.292 277 HZ PHE 35 HZ PHE 35 0.460 2.154 -1.226 278 H LEU 36 H LEU 36 -3.647 8.892 -0.917 279 HA LEU 36 HA LEU 36 -5.654 10.028 -2.766 280 HB2 LEU 36 2HB LEU 36 -6.089 10.234 -0.368 281 HB3 LEU 36 3HB LEU 36 -4.541 11.045 -0.135 282 HG LEU 36 HG LEU 36 -5.285 12.907 -1.568 283 HD11 LEU 36 1HD1 LEU 36 -7.670 11.106 -1.948 284 HD12 LEU 36 2HD1 LEU 36 -6.763 12.022 -3.152 285 HD13 LEU 36 3HD1 LEU 36 -7.871 12.856 -2.066 286 HD21 LEU 36 3HD2 LEU 36 -7.110 13.756 -0.084 287 HD22 LEU 36 1HD2 LEU 36 -5.750 13.082 0.815 288 HD23 LEU 36 2HD2 LEU 36 -7.234 12.147 0.629 289 H GLU 37 H GLU 37 -5.125 11.428 -4.302 290 HA GLU 37 HA GLU 37 -3.698 12.600 -5.763 291 HB2 GLU 37 2HB GLU 37 -3.479 14.051 -3.117 292 HB3 GLU 37 3HB GLU 37 -2.844 14.705 -4.628 293 HG2 GLU 37 2HG GLU 37 -5.065 14.610 -5.646 294 HG3 GLU 37 3HG GLU 37 -5.723 13.856 -4.193 295 HA PRO 38 HA PRO 38 0.172 10.448 -4.260 296 HB2 PRO 38 2HB PRO 38 0.197 9.533 -7.093 297 HB3 PRO 38 3HB PRO 38 0.393 8.589 -5.604 298 HG2 PRO 38 2HG PRO 38 -1.848 8.464 -7.067 299 HG3 PRO 38 3HG PRO 38 -1.877 8.348 -5.301 300 HD2 PRO 38 2HD PRO 38 -2.590 10.685 -7.044 301 HD3 PRO 38 3HD PRO 38 -3.353 10.128 -5.539 302 H THR 39 H THR 39 2.210 11.279 -4.543 303 HA THR 39 HA THR 39 2.483 13.659 -6.250 304 HB THR 39 HB THR 39 4.556 14.026 -5.035 305 HG1 THR 39 HG1 THR 39 4.156 11.646 -3.610 306 HG21 THR 39 3HG2 THR 39 2.592 12.928 -3.021 307 HG22 THR 39 1HG2 THR 39 2.269 14.408 -3.926 308 HG23 THR 39 2HG2 THR 39 3.666 14.317 -2.853 309 H ILE 40 H ILE 40 3.345 10.315 -6.376 310 HA ILE 40 HA ILE 40 5.696 10.556 -8.003 311 HB ILE 40 HB ILE 40 4.976 8.479 -6.769 312 HG12 ILE 40 2HG1 ILE 40 5.326 7.909 -9.719 313 HG13 ILE 40 3HG1 ILE 40 6.637 8.573 -8.747 314 HG21 ILE 40 1HG2 ILE 40 3.287 7.045 -7.715 315 HG22 ILE 40 2HG2 ILE 40 3.108 8.089 -9.125 316 HG23 ILE 40 3HG2 ILE 40 2.568 8.646 -7.540 317 HD11 ILE 40 3HD1 ILE 40 6.659 6.664 -7.307 318 HD12 ILE 40 1HD1 ILE 40 6.603 6.038 -8.954 319 HD13 ILE 40 2HD1 ILE 40 5.140 6.062 -7.971 320 H LEU 41 H LEU 41 2.716 11.656 -8.676 321 HA LEU 41 HA LEU 41 2.470 10.770 -11.462 322 HB2 LEU 41 2HB LEU 41 1.085 13.030 -9.988 323 HB3 LEU 41 3HB LEU 41 0.599 12.366 -11.548 324 HG LEU 41 HG LEU 41 0.704 10.828 -8.937 325 HD11 LEU 41 1HD1 LEU 41 -1.586 12.025 -10.514 326 HD12 LEU 41 2HD1 LEU 41 -1.146 12.352 -8.837 327 HD13 LEU 41 3HD1 LEU 41 -1.816 10.783 -9.283 328 HD21 LEU 41 3HD2 LEU 41 -0.719 9.217 -10.462 329 HD22 LEU 41 1HD2 LEU 41 1.038 9.201 -10.594 330 HD23 LEU 41 2HD2 LEU 41 0.072 10.072 -11.786 331 H ALA 42 H ALA 42 4.377 12.977 -9.796 332 HA ALA 42 HA ALA 42 4.604 14.889 -12.054 333 HB1 ALA 42 3HB ALA 42 4.589 15.819 -9.782 334 HB2 ALA 42 1HB ALA 42 6.168 16.082 -10.525 335 HB3 ALA 42 2HB ALA 42 5.953 14.792 -9.342 336 H LYS 43 H LYS 43 6.091 12.055 -10.815 337 HA LYS 43 HA LYS 43 8.590 12.544 -12.387 338 HB2 LYS 43 2HB LYS 43 7.908 10.538 -10.231 339 HB3 LYS 43 3HB LYS 43 9.426 10.531 -11.128 340 HG2 LYS 43 2HG LYS 43 9.824 12.884 -10.374 341 HG3 LYS 43 3HG LYS 43 8.372 12.777 -9.383 342 HD2 LYS 43 2HD LYS 43 10.695 10.848 -9.134 343 HD3 LYS 43 3HD LYS 43 10.545 12.305 -8.156 344 HE2 LYS 43 2HE LYS 43 8.210 11.423 -7.505 345 HE3 LYS 43 3HE LYS 43 8.736 9.885 -8.190 346 HZ1 LYS 43 3HZ LYS 43 9.761 11.319 -5.842 347 HZ2 LYS 43 1HZ LYS 43 10.792 10.281 -6.701 348 HZ3 LYS 43 2HZ LYS 43 9.359 9.676 -6.016 349 H GLU 44 H GLU 44 6.159 9.992 -11.754 350 HA GLU 44 HA GLU 44 6.459 9.121 -14.594 351 HB2 GLU 44 2HB GLU 44 6.539 7.302 -12.171 352 HB3 GLU 44 3HB GLU 44 6.417 6.744 -13.838 353 HG2 GLU 44 2HG GLU 44 8.681 8.450 -12.757 354 HG3 GLU 44 3HG GLU 44 8.763 6.705 -12.981 355 H SER 45 H SER 45 4.620 7.905 -15.378 356 HA SER 45 HA SER 45 2.108 8.919 -14.315 357 HB2 SER 45 2HB SER 45 2.329 8.717 -16.708 358 HB3 SER 45 3HB SER 45 2.758 7.015 -16.575 359 HG SER 45 HG SER 45 0.405 7.900 -16.971 360 H THR 46 H THR 46 0.255 7.447 -13.902 361 HA THR 46 HA THR 46 0.858 5.571 -11.829 362 HB THR 46 HB THR 46 -1.277 6.514 -11.645 363 HG1 THR 46 HG1 THR 46 -1.704 4.431 -11.293 364 HG21 THR 46 3HG2 THR 46 -1.560 7.552 -13.762 365 HG22 THR 46 1HG2 THR 46 -2.885 6.397 -13.654 366 HG23 THR 46 2HG2 THR 46 -1.462 6.013 -14.617 367 H ASP 47 H ASP 47 0.085 5.182 -15.254 368 HA ASP 47 HA ASP 47 -0.147 2.312 -15.204 369 HB2 ASP 47 2HB ASP 47 0.454 4.285 -17.414 370 HB3 ASP 47 3HB ASP 47 0.273 2.556 -17.703 371 H ASP 48 H ASP 48 2.542 4.429 -15.034 372 HA ASP 48 HA ASP 48 4.473 2.474 -16.099 373 HB2 ASP 48 2HB ASP 48 4.778 5.193 -14.807 374 HB3 ASP 48 3HB ASP 48 6.150 4.210 -15.319 375 H ILE 49 H ILE 49 2.776 2.719 -13.278 376 HA ILE 49 HA ILE 49 5.022 1.929 -11.504 377 HB ILE 49 HB ILE 49 2.085 2.393 -10.916 378 HG12 ILE 49 2HG1 ILE 49 4.522 4.043 -10.182 379 HG13 ILE 49 3HG1 ILE 49 3.485 4.397 -11.563 380 HG21 ILE 49 1HG2 ILE 49 4.447 1.771 -9.121 381 HG22 ILE 49 2HG2 ILE 49 2.984 0.810 -9.317 382 HG23 ILE 49 3HG2 ILE 49 2.903 2.382 -8.526 383 HD11 ILE 49 3HD1 ILE 49 2.746 4.429 -8.629 384 HD12 ILE 49 1HD1 ILE 49 1.533 4.435 -9.910 385 HD13 ILE 49 2HD1 ILE 49 2.681 5.768 -9.777 386 H THR 50 H THR 50 5.545 -0.153 -11.400 387 HA THR 50 HA THR 50 3.426 -2.223 -11.852 388 HB THR 50 HB THR 50 6.424 -2.426 -12.254 389 HG1 THR 50 HG1 THR 50 5.163 -1.140 -13.777 390 HG21 THR 50 3HG2 THR 50 5.696 -4.569 -13.437 391 HG22 THR 50 1HG2 THR 50 4.132 -4.353 -12.649 392 HG23 THR 50 2HG2 THR 50 5.585 -4.585 -11.677 393 H GLY 51 H GLY 51 2.862 -3.276 -10.075 394 HA2 GLY 51 2HA GLY 51 2.941 -4.287 -7.979 395 HA3 GLY 51 3HA GLY 51 4.672 -4.475 -8.235 396 H MET 52 H MET 52 4.106 -4.054 -5.740 397 HA MET 52 HA MET 52 4.790 -1.188 -5.232 398 HB2 MET 52 2HB MET 52 2.418 -1.566 -4.651 399 HB3 MET 52 3HB MET 52 2.891 -2.897 -3.595 400 HG2 MET 52 2HG MET 52 4.151 -1.386 -2.173 401 HG3 MET 52 3HG MET 52 3.878 -0.048 -3.289 402 HE1 MET 52 3HE MET 52 2.514 -2.737 -1.213 403 HE2 MET 52 1HE MET 52 0.965 -2.784 -2.067 404 HE3 MET 52 2HE MET 52 1.057 -2.135 -0.432 405 H TYR 53 H TYR 53 6.443 -0.916 -3.808 406 HA TYR 53 HA TYR 53 7.672 -3.379 -2.653 407 HB2 TYR 53 2HB TYR 53 8.853 -0.689 -3.379 408 HB3 TYR 53 3HB TYR 53 9.750 -1.966 -2.556 409 HD1 TYR 53 HD2 TYR 53 7.951 -1.082 -5.686 410 HD2 TYR 53 HD1 TYR 53 10.542 -3.897 -3.733 411 HE1 TYR 53 HE2 TYR 53 8.404 -2.178 -7.866 412 HE2 TYR 53 HE1 TYR 53 10.994 -4.993 -5.910 413 HH TYR 53 HH TYR 53 10.490 -5.062 -8.073 414 H LEU 54 H LEU 54 7.114 -3.636 -0.587 415 HA LEU 54 HA LEU 54 6.721 -1.258 1.162 416 HB2 LEU 54 2HB LEU 54 6.079 -4.187 1.631 417 HB3 LEU 54 3HB LEU 54 5.651 -2.855 2.707 418 HG LEU 54 HG LEU 54 4.718 -3.149 -0.170 419 HD11 LEU 54 1HD1 LEU 54 2.464 -3.423 1.024 420 HD12 LEU 54 2HD1 LEU 54 3.398 -3.706 2.493 421 HD13 LEU 54 3HD1 LEU 54 3.569 -4.793 1.116 422 HD21 LEU 54 3HD2 LEU 54 3.075 -1.306 0.789 423 HD22 LEU 54 1HD2 LEU 54 4.678 -0.840 0.221 424 HD23 LEU 54 2HD2 LEU 54 4.378 -1.037 1.948 425 H ILE 55 H ILE 55 8.291 -0.688 2.564 426 HA ILE 55 HA ILE 55 10.526 -2.617 3.034 427 HB ILE 55 HB ILE 55 10.315 0.384 3.397 428 HG12 ILE 55 2HG1 ILE 55 12.181 0.277 1.662 429 HG13 ILE 55 3HG1 ILE 55 11.807 -1.433 1.481 430 HG21 ILE 55 1HG2 ILE 55 11.746 -0.369 5.150 431 HG22 ILE 55 2HG2 ILE 55 12.820 0.148 3.851 432 HG23 ILE 55 3HG2 ILE 55 12.511 -1.569 4.109 433 HD11 ILE 55 3HD1 ILE 55 9.562 0.551 1.238 434 HD12 ILE 55 1HD1 ILE 55 9.763 -1.021 0.465 435 HD13 ILE 55 2HD1 ILE 55 10.685 0.364 -0.108 436 H ASP 56 H ASP 56 9.853 -3.872 4.724 437 HA ASP 56 HA ASP 56 8.632 -2.636 7.118 438 HB2 ASP 56 2HB ASP 56 9.249 -5.506 6.379 439 HB3 ASP 56 3HB ASP 56 8.516 -5.021 7.907 440 H ASP 57 H ASP 57 9.549 -3.660 9.255 441 HA ASP 57 HA ASP 57 12.230 -2.702 9.581 442 HB2 ASP 57 2HB ASP 57 12.011 -3.583 11.894 443 HB3 ASP 57 3HB ASP 57 10.627 -2.604 11.417 444 H GLU 58 H GLU 58 13.935 -3.722 8.823 445 HA GLU 58 HA GLU 58 15.446 -5.401 8.262 446 HB2 GLU 58 2HB GLU 58 14.056 -6.732 10.611 447 HB3 GLU 58 3HB GLU 58 15.497 -7.377 9.827 448 HG2 GLU 58 2HG GLU 58 16.729 -5.319 10.332 449 HG3 GLU 58 3HG GLU 58 15.286 -4.619 11.067 450 H GLY 59 H GLY 59 12.863 -5.281 6.920 451 HA2 GLY 59 2HA GLY 59 13.033 -7.715 5.419 452 HA3 GLY 59 3HA GLY 59 11.652 -7.795 6.512 453 H GLU 60 H GLU 60 11.156 -7.843 3.818 454 HA GLU 60 HA GLU 60 9.629 -5.348 3.486 455 HB2 GLU 60 2HB GLU 60 10.490 -5.110 1.102 456 HB3 GLU 60 3HB GLU 60 11.616 -4.641 2.374 457 HG2 GLU 60 2HG GLU 60 11.610 -7.418 1.174 458 HG3 GLU 60 3HG GLU 60 12.571 -6.102 0.500 459 H ILE 61 H ILE 61 7.900 -5.576 2.040 460 HA ILE 61 HA ILE 61 7.379 -8.356 1.051 461 HB ILE 61 HB ILE 61 5.431 -6.353 2.234 462 HG12 ILE 61 2HG1 ILE 61 6.181 -9.139 3.170 463 HG13 ILE 61 3HG1 ILE 61 6.940 -7.676 3.796 464 HG21 ILE 61 1HG2 ILE 61 5.052 -9.030 0.878 465 HG22 ILE 61 2HG2 ILE 61 4.290 -7.494 0.472 466 HG23 ILE 61 3HG2 ILE 61 3.837 -8.336 1.953 467 HD11 ILE 61 3HD1 ILE 61 4.717 -6.832 4.492 468 HD12 ILE 61 1HD1 ILE 61 5.095 -8.373 5.263 469 HD13 ILE 61 2HD1 ILE 61 3.978 -8.319 3.899 470 H ILE 62 H ILE 62 6.964 -8.467 -1.073 471 HA ILE 62 HA ILE 62 6.289 -5.944 -2.546 472 HB ILE 62 HB ILE 62 8.003 -8.282 -3.425 473 HG12 ILE 62 2HG1 ILE 62 8.739 -5.367 -3.084 474 HG13 ILE 62 3HG1 ILE 62 8.964 -6.555 -1.806 475 HG21 ILE 62 1HG2 ILE 62 6.857 -7.548 -5.369 476 HG22 ILE 62 2HG2 ILE 62 8.385 -6.672 -5.413 477 HG23 ILE 62 3HG2 ILE 62 6.918 -5.858 -4.870 478 HD11 ILE 62 3HD1 ILE 62 11.016 -6.200 -3.178 479 HD12 ILE 62 1HD1 ILE 62 10.133 -6.781 -4.591 480 HD13 ILE 62 2HD1 ILE 62 10.438 -7.865 -3.233 481 H THR 63 H THR 63 4.492 -6.021 -3.761 482 HA THR 63 HA THR 63 3.320 -8.697 -4.434 483 HB THR 63 HB THR 63 2.002 -7.866 -2.603 484 HG1 THR 63 HG1 THR 63 0.135 -8.020 -3.609 485 HG21 THR 63 3HG2 THR 63 0.920 -5.604 -2.756 486 HG22 THR 63 1HG2 THR 63 1.937 -5.266 -4.156 487 HG23 THR 63 2HG2 THR 63 2.674 -5.540 -2.577 488 H ARG 64 H ARG 64 2.422 -8.851 -6.450 489 HA ARG 64 HA ARG 64 2.993 -6.609 -8.311 490 HB2 ARG 64 2HB ARG 64 2.173 -9.480 -8.855 491 HB3 ARG 64 3HB ARG 64 2.684 -8.311 -10.070 492 HG2 ARG 64 2HG ARG 64 4.472 -8.995 -7.732 493 HG3 ARG 64 3HG ARG 64 4.454 -10.000 -9.180 494 HD2 ARG 64 2HD ARG 64 5.082 -7.030 -9.078 495 HD3 ARG 64 3HD ARG 64 6.233 -8.332 -9.360 496 HE ARG 64 HE ARG 64 4.326 -7.269 -11.310 497 HH11 ARG 64 1HH2 ARG 64 6.350 -9.891 -10.324 498 HH12 ARG 64 2HH2 ARG 64 6.491 -10.548 -11.920 499 HH21 ARG 64 1HH1 ARG 64 4.505 -8.115 -13.384 500 HH22 ARG 64 2HH1 ARG 64 5.447 -9.544 -13.651 501 H GLU 65 H GLU 65 1.159 -5.360 -7.470 502 HA GLU 65 HA GLU 65 -1.360 -6.084 -8.872 503 HB2 GLU 65 2HB GLU 65 -1.130 -5.288 -5.957 504 HB3 GLU 65 3HB GLU 65 -2.649 -5.311 -6.849 505 HG2 GLU 65 2HG GLU 65 -0.826 -7.706 -6.474 506 HG3 GLU 65 3HG GLU 65 -2.287 -7.396 -5.536 507 H VAL 66 H VAL 66 -1.547 -3.579 -6.598 508 HA VAL 66 HA VAL 66 -1.760 -1.268 -6.832 509 HB VAL 66 HB VAL 66 0.276 -1.467 -9.057 510 HG11 VAL 66 1HG1 VAL 66 -0.220 0.609 -6.898 511 HG12 VAL 66 2HG1 VAL 66 -0.817 0.733 -8.552 512 HG13 VAL 66 3HG1 VAL 66 0.918 0.742 -8.237 513 HG21 VAL 66 3HG2 VAL 66 1.242 -2.783 -7.323 514 HG22 VAL 66 1HG2 VAL 66 0.593 -1.737 -6.061 515 HG23 VAL 66 2HG2 VAL 66 1.916 -1.170 -7.081 516 H LYS 67 H LYS 67 -3.615 -0.539 -7.657 517 HA LYS 67 HA LYS 67 -4.054 -0.705 -10.619 518 HB2 LYS 67 2HB LYS 67 -6.049 -1.124 -8.377 519 HB3 LYS 67 3HB LYS 67 -6.504 -0.885 -10.064 520 HG2 LYS 67 2HG LYS 67 -5.231 -2.860 -10.730 521 HG3 LYS 67 3HG LYS 67 -4.651 -3.073 -9.079 522 HD2 LYS 67 2HD LYS 67 -6.465 -4.593 -9.272 523 HD3 LYS 67 3HD LYS 67 -7.127 -3.214 -8.397 524 HE2 LYS 67 2HE LYS 67 -8.230 -2.383 -10.353 525 HE3 LYS 67 3HE LYS 67 -7.342 -3.483 -11.408 526 HZ1 LYS 67 3HZ LYS 67 -9.274 -4.619 -11.185 527 HZ2 LYS 67 1HZ LYS 67 -9.601 -4.017 -9.635 528 HZ3 LYS 67 2HZ LYS 67 -8.451 -5.250 -9.839 529 H GLY 68 H GLY 68 -4.002 1.289 -11.403 530 HA2 GLY 68 2HA GLY 68 -4.246 3.641 -9.770 531 HA3 GLY 68 3HA GLY 68 -4.139 3.621 -11.523 532 H LYS 69 H LYS 69 -5.955 4.968 -9.421 533 HA LYS 69 HA LYS 69 -8.596 4.167 -10.579 534 HB2 LYS 69 2HB LYS 69 -7.805 5.514 -7.995 535 HB3 LYS 69 3HB LYS 69 -9.457 5.593 -8.606 536 HG2 LYS 69 2HG LYS 69 -9.557 3.127 -8.667 537 HG3 LYS 69 3HG LYS 69 -7.903 3.045 -8.061 538 HD2 LYS 69 2HD LYS 69 -8.557 4.135 -5.986 539 HD3 LYS 69 3HD LYS 69 -10.195 4.380 -6.595 540 HE2 LYS 69 2HE LYS 69 -10.535 1.956 -6.723 541 HE3 LYS 69 3HE LYS 69 -8.886 1.678 -6.170 542 HZ1 LYS 69 3HZ LYS 69 -10.847 1.662 -4.489 543 HZ2 LYS 69 1HZ LYS 69 -10.685 3.348 -4.556 544 HZ3 LYS 69 2HZ LYS 69 -9.373 2.390 -4.060 545 H PHE 70 H PHE 70 -9.430 5.487 -12.046 546 HA PHE 70 HA PHE 70 -8.281 8.205 -12.399 547 HB2 PHE 70 2HB PHE 70 -9.887 6.391 -14.203 548 HB3 PHE 70 3HB PHE 70 -9.497 8.060 -14.618 549 HD1 PHE 70 HD2 PHE 70 -8.070 4.713 -13.911 550 HD2 PHE 70 HD1 PHE 70 -7.263 8.714 -15.251 551 HE1 PHE 70 HE2 PHE 70 -5.824 4.003 -14.685 552 HE2 PHE 70 HE1 PHE 70 -5.017 7.999 -16.024 553 HZ PHE 70 HZ PHE 70 -4.298 5.647 -15.741 554 H ILE 71 H ILE 71 -9.398 9.908 -11.711 555 HA ILE 71 HA ILE 71 -12.336 9.630 -11.224 556 HB ILE 71 HB ILE 71 -10.350 11.614 -10.080 557 HG12 ILE 71 2HG1 ILE 71 -10.928 10.330 -7.945 558 HG13 ILE 71 3HG1 ILE 71 -11.677 9.121 -8.980 559 HG21 ILE 71 1HG2 ILE 71 -12.317 12.074 -8.529 560 HG22 ILE 71 2HG2 ILE 71 -13.315 11.177 -9.672 561 HG23 ILE 71 3HG2 ILE 71 -12.499 12.653 -10.183 562 HD11 ILE 71 3HD1 ILE 71 -9.676 8.278 -9.669 563 HD12 ILE 71 1HD1 ILE 71 -9.056 9.049 -8.211 564 HD13 ILE 71 2HD1 ILE 71 -8.913 9.866 -9.768 565 H ASN 72 H ASN 72 -13.576 10.546 -12.680 566 HA ASN 72 HA ASN 72 -14.372 11.938 -14.347 567 HB2 ASN 72 2HB ASN 72 -12.567 13.881 -12.887 568 HB3 ASN 72 3HB ASN 72 -13.594 14.357 -14.235 569 HD21 ASN 72 1HD2 ASN 72 -13.562 14.098 -10.873 570 HD22 ASN 72 2HD2 ASN 72 -15.237 14.059 -10.605 571 H GLY 73 H GLY 73 -12.114 10.240 -14.949 572 HA2 GLY 73 2HA GLY 73 -10.870 9.857 -16.913 573 HA3 GLY 73 3HA GLY 73 -11.347 11.456 -17.487 574 H ARG 74 H ARG 74 -9.786 10.819 -14.392 575 HA ARG 74 HA ARG 74 -7.201 11.731 -15.456 576 HB2 ARG 74 2HB ARG 74 -8.601 13.787 -14.880 577 HB3 ARG 74 3HB ARG 74 -8.465 13.281 -13.195 578 HG2 ARG 74 2HG ARG 74 -6.007 13.344 -13.358 579 HG3 ARG 74 3HG ARG 74 -6.124 13.814 -15.055 580 HD2 ARG 74 2HD ARG 74 -5.746 15.734 -13.457 581 HD3 ARG 74 3HD ARG 74 -7.166 15.903 -14.487 582 HE ARG 74 HE ARG 74 -8.536 15.678 -12.571 583 HH11 ARG 74 1HH2 ARG 74 -5.240 14.860 -11.920 584 HH12 ARG 74 2HH2 ARG 74 -5.466 14.791 -10.205 585 HH21 ARG 74 1HH1 ARG 74 -8.832 15.593 -10.346 586 HH22 ARG 74 2HH1 ARG 74 -7.497 15.203 -9.315 587 HA PRO 75 HA PRO 75 -6.115 8.855 -12.145 588 HB2 PRO 75 2HB PRO 75 -3.393 9.105 -12.271 589 HB3 PRO 75 3HB PRO 75 -4.336 8.197 -13.470 590 HG2 PRO 75 2HG PRO 75 -3.208 10.949 -13.652 591 HG3 PRO 75 3HG PRO 75 -3.289 9.680 -14.886 592 HD2 PRO 75 2HD PRO 75 -5.036 11.790 -14.786 593 HD3 PRO 75 3HD PRO 75 -5.461 10.214 -15.479 594 H THR 76 H THR 76 -7.016 10.146 -10.432 595 HA THR 76 HA THR 76 -5.171 12.116 -9.156 596 HB THR 76 HB THR 76 -8.066 11.625 -8.456 597 HG1 THR 76 HG1 THR 76 -8.592 12.538 -10.249 598 HG21 THR 76 3HG2 THR 76 -7.896 14.002 -7.728 599 HG22 THR 76 1HG2 THR 76 -6.185 13.980 -8.155 600 HG23 THR 76 2HG2 THR 76 -6.783 12.944 -6.861 601 H ALA 77 H ALA 77 -6.415 8.914 -8.832 602 HA ALA 77 HA ALA 77 -5.139 8.750 -6.145 603 HB1 ALA 77 3HB ALA 77 -7.021 7.796 -5.075 604 HB2 ALA 77 1HB ALA 77 -7.866 7.551 -6.604 605 HB3 ALA 77 2HB ALA 77 -7.666 9.180 -5.961 606 H ILE 78 H ILE 78 -4.555 6.615 -5.540 607 HA ILE 78 HA ILE 78 -4.749 4.547 -7.690 608 HB ILE 78 HB ILE 78 -2.258 5.341 -6.156 609 HG12 ILE 78 2HG1 ILE 78 -2.765 5.284 -9.144 610 HG13 ILE 78 3HG1 ILE 78 -2.961 6.732 -8.164 611 HG21 ILE 78 1HG2 ILE 78 -1.228 3.542 -7.668 612 HG22 ILE 78 2HG2 ILE 78 -2.879 2.996 -7.963 613 HG23 ILE 78 3HG2 ILE 78 -2.219 2.963 -6.328 614 HD11 ILE 78 3HD1 ILE 78 -0.742 6.783 -9.110 615 HD12 ILE 78 1HD1 ILE 78 -0.424 5.134 -8.573 616 HD13 ILE 78 2HD1 ILE 78 -0.579 6.432 -7.389 617 H GLU 79 H GLU 79 -4.451 2.351 -6.855 618 HA GLU 79 HA GLU 79 -4.753 2.086 -3.897 619 HB2 GLU 79 2HB GLU 79 -7.021 2.109 -4.865 620 HB3 GLU 79 3HB GLU 79 -6.573 0.787 -5.944 621 HG2 GLU 79 2HG GLU 79 -6.198 -0.698 -4.069 622 HG3 GLU 79 3HG GLU 79 -6.424 0.621 -2.921 623 H ALA 80 H ALA 80 -4.268 -0.054 -3.116 624 HA ALA 80 HA ALA 80 -3.009 -1.937 -5.029 625 HB1 ALA 80 3HB ALA 80 -0.988 -2.080 -3.506 626 HB2 ALA 80 1HB ALA 80 -1.575 -0.622 -2.712 627 HB3 ALA 80 2HB ALA 80 -1.119 -0.574 -4.416 628 H THR 81 H THR 81 -2.936 -4.062 -4.238 629 HA THR 81 HA THR 81 -4.320 -4.529 -1.618 630 HB THR 81 HB THR 81 -4.529 -6.128 -4.183 631 HG1 THR 81 HG1 THR 81 -6.845 -5.462 -3.555 632 HG21 THR 81 3HG2 THR 81 -4.601 -7.659 -2.349 633 HG22 THR 81 1HG2 THR 81 -6.278 -7.371 -2.809 634 HG23 THR 81 2HG2 THR 81 -5.599 -6.570 -1.390 635 H VAL 82 H VAL 82 -3.273 -5.826 -0.225 636 HA VAL 82 HA VAL 82 -0.784 -7.198 -1.167 637 HB VAL 82 HB VAL 82 -1.595 -6.058 1.515 638 HG11 VAL 82 1HG1 VAL 82 -0.499 -8.095 2.077 639 HG12 VAL 82 2HG1 VAL 82 0.757 -6.861 2.177 640 HG13 VAL 82 3HG1 VAL 82 0.669 -7.919 0.768 641 HG21 VAL 82 3HG2 VAL 82 -0.690 -4.460 -0.105 642 HG22 VAL 82 1HG2 VAL 82 0.686 -5.519 -0.413 643 HG23 VAL 82 2HG2 VAL 82 0.502 -4.751 1.164 644 H ILE 83 H ILE 83 -0.714 -9.356 -1.049 645 HA ILE 83 HA ILE 83 -2.991 -10.802 0.206 646 HB ILE 83 HB ILE 83 -0.814 -11.846 -1.630 647 HG12 ILE 83 2HG1 ILE 83 -2.101 -10.163 -2.822 648 HG13 ILE 83 3HG1 ILE 83 -2.619 -11.751 -3.378 649 HG21 ILE 83 1HG2 ILE 83 -1.879 -13.591 -0.307 650 HG22 ILE 83 2HG2 ILE 83 -2.456 -13.697 -1.970 651 HG23 ILE 83 3HG2 ILE 83 -3.476 -12.974 -0.726 652 HD11 ILE 83 3HD1 ILE 83 -4.666 -10.669 -3.019 653 HD12 ILE 83 1HD1 ILE 83 -4.070 -9.803 -1.604 654 HD13 ILE 83 2HD1 ILE 83 -4.441 -11.522 -1.493 655 H LEU 84 H LEU 84 -2.686 -11.665 2.159 656 HA LEU 84 HA LEU 84 0.096 -12.247 3.088 657 HB2 LEU 84 2HB LEU 84 -2.430 -11.878 4.726 658 HB3 LEU 84 3HB LEU 84 -0.786 -12.020 5.350 659 HG LEU 84 HG LEU 84 -1.794 -9.802 3.539 660 HD11 LEU 84 1HD1 LEU 84 -1.786 -8.386 5.441 661 HD12 LEU 84 2HD1 LEU 84 -0.887 -9.551 6.407 662 HD13 LEU 84 3HD1 LEU 84 -2.571 -9.864 5.996 663 HD21 LEU 84 3HD2 LEU 84 0.502 -8.816 4.363 664 HD22 LEU 84 1HD2 LEU 84 0.495 -9.981 3.042 665 HD23 LEU 84 2HD2 LEU 84 0.912 -10.503 4.674 666 H ASN 85 H ASN 85 -0.395 -14.189 1.577 667 HA ASN 85 HA ASN 85 -2.193 -16.261 2.414 668 HB2 ASN 85 2HB ASN 85 0.358 -16.303 0.784 669 HB3 ASN 85 3HB ASN 85 -0.645 -17.731 1.031 670 HD21 ASN 85 1HD2 ASN 85 -3.211 -16.293 0.937 671 HD22 ASN 85 2HD2 ASN 85 -3.438 -15.804 -0.671 672 H SER 86 H SER 86 1.200 -15.570 3.167 673 HA SER 86 HA SER 86 1.604 -17.990 4.693 674 HB2 SER 86 2HB SER 86 3.107 -15.401 4.425 675 HB3 SER 86 3HB SER 86 3.614 -16.616 5.594 676 HG SER 86 HG SER 86 3.805 -16.584 2.857 677 H GLN 87 H GLN 87 1.795 -18.187 6.954 678 HA GLN 87 HA GLN 87 -0.183 -16.699 8.475 679 HB2 GLN 87 2HB GLN 87 1.539 -19.085 8.864 680 HB3 GLN 87 3HB GLN 87 1.149 -18.211 10.344 681 HG2 GLN 87 2HG GLN 87 -1.230 -18.390 9.867 682 HG3 GLN 87 3HG GLN 87 -0.893 -19.143 8.309 683 HE21 GLN 87 1HE2 GLN 87 -2.153 -20.090 11.049 684 HE22 GLN 87 2HE2 GLN 87 -1.414 -21.600 11.285 685 HA PRO 88 HA PRO 88 3.711 -15.305 11.072 686 HB2 PRO 88 2HB PRO 88 6.074 -15.295 9.563 687 HB3 PRO 88 3HB PRO 88 5.627 -16.546 10.740 688 HG2 PRO 88 2HG PRO 88 5.293 -16.538 7.770 689 HG3 PRO 88 3HG PRO 88 5.817 -17.851 8.840 690 HD2 PRO 88 2HD PRO 88 3.338 -17.818 7.890 691 HD3 PRO 88 3HD PRO 88 3.630 -18.301 9.572 692 H GLU 89 H GLU 89 3.444 -14.734 7.623 693 HA GLU 89 HA GLU 89 4.486 -12.055 7.616 694 HB2 GLU 89 2HB GLU 89 2.628 -13.557 5.769 695 HB3 GLU 89 3HB GLU 89 3.100 -11.887 5.461 696 HG2 GLU 89 2HG GLU 89 5.504 -12.616 5.579 697 HG3 GLU 89 3HG GLU 89 4.944 -14.281 5.712 698 H TRP 90 H TRP 90 1.291 -13.419 8.205 699 HA TRP 90 HA TRP 90 -0.203 -11.001 8.120 700 HB2 TRP 90 2HB TRP 90 -0.640 -13.740 8.915 701 HB3 TRP 90 3HB TRP 90 -1.298 -12.696 10.171 702 HD1 TRP 90 HD1 TRP 90 -2.034 -14.056 6.806 703 HE1 TRP 90 HE1 TRP 90 -4.158 -12.952 5.845 704 HE3 TRP 90 HE3 TRP 90 -2.618 -10.229 10.131 705 HZ2 TRP 90 HZ2 TRP 90 -5.874 -10.730 6.416 706 HZ3 TRP 90 HZ3 TRP 90 -4.498 -8.631 9.898 707 HH2 TRP 90 HH2 TRP 90 -6.126 -8.880 8.047 708 H ASP 91 H ASP 91 1.434 -12.594 10.838 709 HA ASP 91 HA ASP 91 0.705 -10.656 12.809 710 HB2 ASP 91 2HB ASP 91 3.034 -12.573 12.602 711 HB3 ASP 91 3HB ASP 91 2.765 -11.554 14.014 712 H ARG 92 H ARG 92 3.516 -10.937 10.673 713 HA ARG 92 HA ARG 92 4.914 -8.632 11.662 714 HB2 ARG 92 2HB ARG 92 5.950 -10.406 10.239 715 HB3 ARG 92 3HB ARG 92 4.987 -9.831 8.878 716 HG2 ARG 92 2HG ARG 92 6.052 -7.634 9.005 717 HG3 ARG 92 3HG ARG 92 6.968 -8.135 10.426 718 HD2 ARG 92 2HD ARG 92 8.408 -8.322 8.477 719 HD3 ARG 92 3HD ARG 92 8.018 -9.947 9.039 720 HE ARG 92 HE ARG 92 6.127 -9.103 7.046 721 HH11 ARG 92 1HH2 ARG 92 9.377 -10.183 7.519 722 HH12 ARG 92 2HH2 ARG 92 9.515 -10.859 5.930 723 HH21 ARG 92 1HH1 ARG 92 6.305 -9.975 4.980 724 HH22 ARG 92 2HH1 ARG 92 7.781 -10.741 4.495 725 H PHE 93 H PHE 93 2.555 -9.110 9.082 726 HA PHE 93 HA PHE 93 2.612 -6.480 7.995 727 HB2 PHE 93 2HB PHE 93 1.390 -8.678 7.190 728 HB3 PHE 93 3HB PHE 93 0.053 -8.069 8.162 729 HD1 PHE 93 HD2 PHE 93 2.476 -7.014 5.520 730 HD2 PHE 93 HD1 PHE 93 -1.422 -6.467 7.243 731 HE1 PHE 93 HE2 PHE 93 1.888 -5.455 3.691 732 HE2 PHE 93 HE1 PHE 93 -2.009 -4.904 5.408 733 HZ PHE 93 HZ PHE 93 -0.349 -4.400 3.633 734 H MET 94 H MET 94 0.710 -7.896 10.623 735 HA MET 94 HA MET 94 -0.934 -5.636 11.177 736 HB2 MET 94 2HB MET 94 0.074 -7.936 12.852 737 HB3 MET 94 3HB MET 94 -0.988 -6.702 13.529 738 HG2 MET 94 2HG MET 94 -1.632 -8.316 11.049 739 HG3 MET 94 3HG MET 94 -2.206 -8.729 12.663 740 HE1 MET 94 3HE MET 94 -3.309 -7.336 14.152 741 HE2 MET 94 1HE MET 94 -4.641 -6.252 13.729 742 HE3 MET 94 2HE MET 94 -3.010 -5.615 13.924 743 H ARG 95 H ARG 95 2.256 -6.576 12.392 744 HA ARG 95 HA ARG 95 2.545 -4.435 14.275 745 HB2 ARG 95 2HB ARG 95 3.987 -6.471 14.222 746 HB3 ARG 95 3HB ARG 95 4.705 -5.884 12.724 747 HG2 ARG 95 2HG ARG 95 5.503 -3.866 13.870 748 HG3 ARG 95 3HG ARG 95 4.750 -4.407 15.370 749 HD2 ARG 95 2HD ARG 95 6.174 -6.462 15.283 750 HD3 ARG 95 3HD ARG 95 6.996 -5.788 13.878 751 HE ARG 95 HE ARG 95 7.001 -3.973 16.148 752 HH11 ARG 95 1HH2 ARG 95 8.503 -6.696 14.646 753 HH12 ARG 95 2HH2 ARG 95 10.041 -6.418 15.389 754 HH21 ARG 95 1HH1 ARG 95 8.996 -3.603 17.119 755 HH22 ARG 95 2HH1 ARG 95 10.321 -4.669 16.787 756 H PHE 96 H PHE 96 3.353 -4.762 10.856 757 HA PHE 96 HA PHE 96 4.768 -2.329 10.502 758 HB2 PHE 96 2HB PHE 96 4.736 -3.991 8.745 759 HB3 PHE 96 3HB PHE 96 2.982 -3.887 8.617 760 HD1 PHE 96 HD2 PHE 96 1.908 -1.831 7.713 761 HD2 PHE 96 HD1 PHE 96 6.168 -2.366 7.693 762 HE1 PHE 96 HE2 PHE 96 2.129 -0.000 6.056 763 HE2 PHE 96 HE1 PHE 96 6.383 -0.542 6.028 764 HZ PHE 96 HZ PHE 96 4.369 0.644 5.219 765 H MET 97 H MET 97 1.285 -3.017 10.280 766 HA MET 97 HA MET 97 0.463 -0.401 9.502 767 HB2 MET 97 2HB MET 97 -1.007 -2.407 9.444 768 HB3 MET 97 3HB MET 97 -1.036 -2.406 11.207 769 HG2 MET 97 2HG MET 97 -2.089 -0.217 11.244 770 HG3 MET 97 3HG MET 97 -1.948 -0.081 9.491 771 HE1 MET 97 3HE MET 97 -4.459 0.482 10.943 772 HE2 MET 97 1HE MET 97 -4.401 -0.737 12.223 773 HE3 MET 97 2HE MET 97 -5.707 -0.757 11.043 774 H GLU 98 H GLU 98 0.849 -1.855 12.729 775 HA GLU 98 HA GLU 98 -0.010 0.505 14.154 776 HB2 GLU 98 2HB GLU 98 0.008 -1.774 15.161 777 HB3 GLU 98 3HB GLU 98 1.771 -1.754 15.110 778 HG2 GLU 98 2HG GLU 98 1.827 0.197 16.583 779 HG3 GLU 98 3HG GLU 98 0.066 0.274 16.586 780 H ARG 99 H ARG 99 3.175 -0.797 13.273 781 HA ARG 99 HA ARG 99 4.698 1.259 14.567 782 HB2 ARG 99 2HB ARG 99 5.582 -0.969 13.723 783 HB3 ARG 99 3HB ARG 99 5.490 -0.299 12.097 784 HG2 ARG 99 2HG ARG 99 7.703 0.199 12.636 785 HG3 ARG 99 3HG ARG 99 6.902 1.684 13.150 786 HD2 ARG 99 2HD ARG 99 6.755 0.742 15.467 787 HD3 ARG 99 3HD ARG 99 7.673 -0.659 14.917 788 HE ARG 99 HE ARG 99 9.116 1.710 14.258 789 HH11 ARG 99 1HH2 ARG 99 8.092 -0.212 16.940 790 HH12 ARG 99 2HH2 ARG 99 9.437 0.235 17.936 791 HH21 ARG 99 1HH1 ARG 99 10.863 2.297 15.547 792 HH22 ARG 99 2HH1 ARG 99 11.004 1.654 17.146 793 H TYR 100 H TYR 100 3.460 0.904 11.269 794 HA TYR 100 HA TYR 100 4.654 3.239 10.161 795 HB2 TYR 100 2HB TYR 100 3.595 1.546 8.750 796 HB3 TYR 100 3HB TYR 100 2.030 1.884 9.486 797 HD1 TYR 100 HD1 TYR 100 4.804 3.491 7.568 798 HD2 TYR 100 HD2 TYR 100 0.637 3.584 8.615 799 HE1 TYR 100 HE1 TYR 100 4.433 5.318 5.933 800 HE2 TYR 100 HE2 TYR 100 0.268 5.410 6.978 801 HH TYR 100 HH TYR 100 2.918 6.585 4.914 802 H GLY 101 H GLY 101 1.535 2.770 11.792 803 HA2 GLY 101 2HA GLY 101 0.563 5.434 11.462 804 HA3 GLY 101 3HA GLY 101 0.052 4.320 12.729 805 H ALA 102 H ALA 102 2.646 3.976 13.915 806 HA ALA 102 HA ALA 102 2.669 6.173 15.743 807 HB1 ALA 102 3HB ALA 102 4.820 4.127 15.136 808 HB2 ALA 102 1HB ALA 102 3.542 3.952 16.338 809 HB3 ALA 102 2HB ALA 102 4.796 5.176 16.553 810 H GLU 103 H GLU 103 4.709 5.408 12.943 811 HA GLU 103 HA GLU 103 6.464 7.680 13.290 812 HB2 GLU 103 2HB GLU 103 5.852 5.996 10.846 813 HB3 GLU 103 3HB GLU 103 7.166 7.166 10.952 814 HG2 GLU 103 2HG GLU 103 6.834 4.786 12.800 815 HG3 GLU 103 3HG GLU 103 7.915 4.827 11.408 816 H ASN 104 H ASN 104 3.497 7.106 11.457 817 HA ASN 104 HA ASN 104 3.455 10.016 10.710 818 HB2 ASN 104 2HB ASN 104 2.246 7.639 9.270 819 HB3 ASN 104 3HB ASN 104 2.033 9.324 8.796 820 HD21 ASN 104 1HD2 ASN 104 3.488 7.012 7.405 821 HD22 ASN 104 2HD2 ASN 104 5.036 7.631 7.089 822 H GLY 105 H GLY 105 0.600 9.028 9.744 823 HA2 GLY 105 2HA GLY 105 -0.857 8.653 12.220 824 HA3 GLY 105 3HA GLY 105 -0.967 10.313 11.634 825 H LEU 106 H LEU 106 -2.637 7.556 11.628 826 HA LEU 106 HA LEU 106 -3.460 7.498 8.809 827 HB2 LEU 106 2HB LEU 106 -4.207 5.948 11.280 828 HB3 LEU 106 3HB LEU 106 -5.156 5.795 9.802 829 HG LEU 106 HG LEU 106 -3.338 4.075 10.026 830 HD11 LEU 106 1HD1 LEU 106 -2.512 5.731 7.670 831 HD12 LEU 106 2HD1 LEU 106 -4.211 5.263 7.764 832 HD13 LEU 106 3HD1 LEU 106 -2.957 4.029 7.757 833 HD21 LEU 106 3HD2 LEU 106 -1.424 6.351 9.487 834 HD22 LEU 106 1HD2 LEU 106 -1.044 4.689 9.932 835 HD23 LEU 106 2HD2 LEU 106 -1.754 5.779 11.123 836 H GLY 107 H GLY 107 -5.291 8.362 7.988 837 HA2 GLY 107 2HA GLY 107 -7.406 9.416 7.950 838 HA3 GLY 107 3HA GLY 107 -7.451 9.332 9.713 839 H PHE 108 H PHE 108 -4.479 10.525 8.895 840 HA PHE 108 HA PHE 108 -5.381 13.331 9.385 841 HB2 PHE 108 2HB PHE 108 -2.761 11.898 9.820 842 HB3 PHE 108 3HB PHE 108 -2.896 13.654 9.901 843 HD1 PHE 108 HD2 PHE 108 -4.212 14.741 11.659 844 HD2 PHE 108 HD1 PHE 108 -3.818 10.467 11.501 845 HE1 PHE 108 HE2 PHE 108 -5.083 14.577 13.975 846 HE2 PHE 108 HE1 PHE 108 -4.691 10.303 13.817 847 HZ PHE 108 HZ PHE 108 -5.323 12.357 15.054 848 H SER 109 H SER 109 -4.904 14.953 7.964 849 HA SER 109 HA SER 109 -4.194 14.187 5.245 850 HB2 SER 109 2HB SER 109 -4.628 16.514 4.692 851 HB3 SER 109 3HB SER 109 -5.900 15.924 5.757 852 HG SER 109 HG SER 109 -4.807 18.041 6.231 853 H LYS 110 H LYS 110 -2.538 15.434 4.022 854 HA LYS 110 HA LYS 110 0.048 15.063 5.110 855 HB2 LYS 110 2HB LYS 110 -0.896 16.778 2.800 856 HB3 LYS 110 3HB LYS 110 0.801 16.437 3.140 857 HG2 LYS 110 2HG LYS 110 0.359 14.017 2.926 858 HG3 LYS 110 3HG LYS 110 -1.339 14.356 2.592 859 HD2 LYS 110 2HD LYS 110 -0.642 15.692 0.601 860 HD3 LYS 110 3HD LYS 110 1.031 15.225 0.910 861 HE2 LYS 110 2HE LYS 110 -1.256 13.310 0.356 862 HE3 LYS 110 3HE LYS 110 0.007 13.756 -0.789 863 HZ1 LYS 110 3HZ LYS 110 0.683 11.741 0.170 864 HZ2 LYS 110 1HZ LYS 110 0.291 12.246 1.740 865 HZ3 LYS 110 2HZ LYS 110 1.623 12.932 0.936 866 H SER 111 H SER 111 1.273 16.290 6.422 867 HA SER 111 HA SER 111 1.263 19.162 6.453 868 HB2 SER 111 2HB SER 111 -0.317 17.736 8.587 869 HB3 SER 111 3HB SER 111 0.416 19.308 8.888 870 HG SER 111 HG SER 111 -1.860 18.775 7.664 871 H GLU 112 H GLU 112 1.466 17.720 9.570 872 HA GLU 112 HA GLU 112 4.334 18.221 9.701 873 HB2 GLU 112 2HB GLU 112 4.132 17.444 12.026 874 HB3 GLU 112 3HB GLU 112 2.834 18.577 11.651 875 HG2 GLU 112 2HG GLU 112 1.322 16.649 11.184 876 HG3 GLU 112 3HG GLU 112 2.613 15.549 11.670 877 H LEU 113 H LEU 113 2.452 15.659 8.623 878 HA LEU 113 HA LEU 113 4.001 13.393 9.451 879 HB2 LEU 113 2HB LEU 113 2.458 13.710 6.863 880 HB3 LEU 113 3HB LEU 113 2.847 12.203 7.691 881 HG LEU 113 HG LEU 113 1.084 14.405 8.812 882 HD11 LEU 113 1HD1 LEU 113 0.343 11.651 7.773 883 HD12 LEU 113 2HD1 LEU 113 0.067 13.160 6.903 884 HD13 LEU 113 3HD1 LEU 113 -0.768 12.854 8.427 885 HD21 LEU 113 3HD2 LEU 113 0.523 12.423 10.420 886 HD22 LEU 113 1HD2 LEU 113 2.026 13.309 10.676 887 HD23 LEU 113 2HD2 LEU 113 2.052 11.744 9.861 888 H GLU 114 H GLU 114 4.223 15.589 6.691 889 HA GLU 114 HA GLU 114 6.183 14.232 5.171 890 HB2 GLU 114 2HB GLU 114 5.769 17.208 5.560 891 HB3 GLU 114 3HB GLU 114 6.767 16.496 4.293 892 HG2 GLU 114 2HG GLU 114 3.818 15.919 4.681 893 HG3 GLU 114 3HG GLU 114 4.464 17.077 3.518 894 H HIS 115 H HIS 115 7.617 17.167 6.008 895 HA HIS 115 HA HIS 115 9.292 16.103 8.172 896 HB2 HIS 115 2HB HIS 115 11.397 16.389 6.899 897 HB3 HIS 115 3HB HIS 115 10.377 15.130 6.207 898 HD1 HIS 115 HD1 HIS 115 8.810 15.992 4.114 899 HD2 HIS 115 HD2 HIS 115 12.119 18.341 5.074 900 HE1 HIS 115 HE1 HIS 115 9.260 17.458 2.096 901 H HIS 116 H HIS 116 10.571 17.739 9.167 902 HA HIS 116 HA HIS 116 10.251 20.518 8.149 903 HB2 HIS 116 2HB HIS 116 9.445 19.561 10.904 904 HB3 HIS 116 3HB HIS 116 9.630 21.259 10.467 905 HD1 HIS 116 HD1 HIS 116 8.012 22.165 8.555 906 HD2 HIS 116 HD2 HIS 116 7.042 18.392 10.040 907 HE1 HIS 116 HE1 HIS 116 5.644 21.687 7.801 908 H HIS 117 H HIS 117 11.832 21.962 8.932 909 HA HIS 117 HA HIS 117 14.394 20.750 9.558 910 HB2 HIS 117 2HB HIS 117 14.331 22.711 8.139 911 HB3 HIS 117 3HB HIS 117 13.466 23.630 9.370 912 HD1 HIS 117 HD1 HIS 117 16.827 21.939 8.830 913 HD2 HIS 117 HD2 HIS 117 15.127 24.925 11.190 914 HE1 HIS 117 HE1 HIS 117 18.729 23.000 10.123 915 H HIS 118 H HIS 118 11.755 21.589 11.448 916 HA HIS 118 HA HIS 118 11.484 22.093 13.742 917 HB2 HIS 118 2HB HIS 118 13.730 20.063 13.709 918 HB3 HIS 118 3HB HIS 118 12.901 20.568 15.181 919 HD1 HIS 118 HD1 HIS 118 12.396 18.634 12.010 920 HD2 HIS 118 HD2 HIS 118 10.227 19.636 15.424 921 HE1 HIS 118 HE1 HIS 118 10.312 17.194 11.983 922 H HIS 119 H HIS 119 14.459 21.463 15.037 923 HA HIS 119 HA HIS 119 15.778 24.000 14.562 924 HB2 HIS 119 2HB HIS 119 13.977 24.810 15.996 925 HB3 HIS 119 3HB HIS 119 14.332 23.563 17.189 926 HD1 HIS 119 HD1 HIS 119 16.077 26.502 15.504 927 HD2 HIS 119 HD2 HIS 119 16.198 24.348 19.071 928 HE1 HIS 119 HE1 HIS 119 17.754 27.679 16.994 929 H HIS 120 H HIS 120 17.690 22.922 14.321 930 HA HIS 120 HA HIS 120 19.472 21.456 14.809 931 HB2 HIS 120 2HB HIS 120 19.079 23.012 17.375 932 HB3 HIS 120 3HB HIS 120 20.515 22.051 17.019 933 HD1 HIS 120 HD1 HIS 120 21.218 24.881 17.327 934 HD2 HIS 120 HD2 HIS 120 19.732 23.477 13.691 935 HE1 HIS 120 HE1 HIS 120 21.946 26.544 15.563 Start of MODEL 6 1 H1 MET 1 1H MET 1 9.823 -2.481 5.717 2 H2 MET 1 2H MET 1 8.888 -2.175 4.332 3 H3 MET 1 3H MET 1 9.496 -3.735 4.623 4 HA MET 1 HA MET 1 7.068 -3.377 5.131 5 HB2 MET 1 2HB MET 1 7.381 -4.538 7.450 6 HB3 MET 1 3HB MET 1 7.982 -5.352 6.008 7 HG2 MET 1 2HG MET 1 10.247 -4.428 6.437 8 HG3 MET 1 3HG MET 1 9.641 -3.661 7.904 9 HE1 MET 1 3HE MET 1 8.358 -4.729 9.552 10 HE2 MET 1 1HE MET 1 9.851 -5.183 10.381 11 HE3 MET 1 2HE MET 1 8.561 -6.363 10.175 12 H ALA 2 H ALA 2 7.713 -0.742 5.269 13 HA ALA 2 HA ALA 2 6.305 0.119 7.662 14 HB1 ALA 2 3HB ALA 2 9.198 0.962 7.330 15 HB2 ALA 2 1HB ALA 2 8.596 -0.135 8.570 16 HB3 ALA 2 2HB ALA 2 8.082 1.549 8.561 17 H GLU 3 H GLU 3 8.390 1.105 4.928 18 HA GLU 3 HA GLU 3 6.546 3.442 4.489 19 HB2 GLU 3 2HB GLU 3 8.506 4.450 3.264 20 HB3 GLU 3 3HB GLU 3 8.742 4.273 5.002 21 HG2 GLU 3 2HG GLU 3 10.034 2.245 4.668 22 HG3 GLU 3 3HG GLU 3 9.707 2.279 2.935 23 H ILE 4 H ILE 4 6.068 3.957 2.276 24 HA ILE 4 HA ILE 4 6.113 1.542 0.518 25 HB ILE 4 HB ILE 4 4.468 4.026 -0.004 26 HG12 ILE 4 2HG1 ILE 4 4.058 3.472 2.364 27 HG13 ILE 4 3HG1 ILE 4 2.654 3.083 1.380 28 HG21 ILE 4 1HG2 ILE 4 4.174 1.057 -0.577 29 HG22 ILE 4 2HG2 ILE 4 4.402 2.361 -1.740 30 HG23 ILE 4 3HG2 ILE 4 2.886 2.220 -0.859 31 HD11 ILE 4 3HD1 ILE 4 4.749 1.112 2.329 32 HD12 ILE 4 1HD1 ILE 4 3.365 0.722 1.311 33 HD13 ILE 4 2HD1 ILE 4 3.115 1.274 2.962 34 H GLN 5 H GLN 5 7.374 1.555 -1.255 35 HA GLN 5 HA GLN 5 8.297 4.193 -2.348 36 HB2 GLN 5 2HB GLN 5 9.918 1.682 -1.849 37 HB3 GLN 5 3HB GLN 5 10.483 3.039 -2.827 38 HG2 GLN 5 2HG GLN 5 10.231 4.552 -0.908 39 HG3 GLN 5 3HG GLN 5 9.615 3.223 0.073 40 HE21 GLN 5 1HE2 GLN 5 11.722 4.144 1.306 41 HE22 GLN 5 2HE2 GLN 5 13.156 3.301 0.966 42 H PHE 6 H PHE 6 7.759 4.387 -4.433 43 HA PHE 6 HA PHE 6 7.141 1.919 -6.015 44 HB2 PHE 6 2HB PHE 6 6.254 4.807 -6.265 45 HB3 PHE 6 3HB PHE 6 5.981 3.613 -7.535 46 HD1 PHE 6 HD1 PHE 6 4.976 1.290 -6.634 47 HD2 PHE 6 HD2 PHE 6 4.547 5.098 -4.681 48 HE1 PHE 6 HE1 PHE 6 2.982 0.448 -5.428 49 HE2 PHE 6 HE2 PHE 6 2.552 4.248 -3.474 50 HZ PHE 6 HZ PHE 6 1.772 1.923 -3.849 51 H SER 7 H SER 7 9.436 4.384 -5.577 52 HA SER 7 HA SER 7 11.029 3.446 -7.799 53 HB2 SER 7 2HB SER 7 9.315 4.996 -8.902 54 HB3 SER 7 3HB SER 7 10.094 6.313 -8.029 55 HG SER 7 HG SER 7 10.919 4.935 -10.237 56 H LYS 8 H LYS 8 12.477 5.964 -8.097 57 HA LYS 8 HA LYS 8 14.241 5.712 -5.835 58 HB2 LYS 8 2HB LYS 8 14.093 7.761 -8.060 59 HB3 LYS 8 3HB LYS 8 15.396 7.688 -6.873 60 HG2 LYS 8 2HG LYS 8 15.896 5.367 -7.566 61 HG3 LYS 8 3HG LYS 8 14.605 5.453 -8.763 62 HD2 LYS 8 2HD LYS 8 15.762 7.306 -9.898 63 HD3 LYS 8 3HD LYS 8 17.047 7.250 -8.693 64 HE2 LYS 8 2HE LYS 8 17.572 4.929 -9.355 65 HE3 LYS 8 3HE LYS 8 16.290 4.984 -10.564 66 HZ1 LYS 8 3HZ LYS 8 17.593 7.118 -11.300 67 HZ2 LYS 8 1HZ LYS 8 18.068 5.578 -11.829 68 HZ3 LYS 8 2HZ LYS 8 18.893 6.325 -10.546 69 H GLY 9 H GLY 9 14.350 6.864 -3.978 70 HA2 GLY 9 2HA GLY 9 13.777 8.391 -2.302 71 HA3 GLY 9 3HA GLY 9 13.396 9.519 -3.602 72 H VAL 10 H VAL 10 11.248 9.589 -4.409 73 HA VAL 10 HA VAL 10 8.932 9.653 -4.118 74 HB VAL 10 HB VAL 10 9.385 6.812 -3.152 75 HG11 VAL 10 1HG1 VAL 10 6.954 8.335 -4.130 76 HG12 VAL 10 2HG1 VAL 10 7.160 7.535 -2.572 77 HG13 VAL 10 3HG1 VAL 10 7.011 6.575 -4.044 78 HG21 VAL 10 3HG2 VAL 10 8.915 8.018 -5.897 79 HG22 VAL 10 1HG2 VAL 10 8.776 6.293 -5.553 80 HG23 VAL 10 2HG2 VAL 10 10.329 7.108 -5.367 81 H ALA 11 H ALA 11 8.719 11.178 -2.499 82 HA ALA 11 HA ALA 11 9.236 10.688 0.281 83 HB1 ALA 11 3HB ALA 11 7.478 12.767 -1.056 84 HB2 ALA 11 1HB ALA 11 9.183 12.954 -0.647 85 HB3 ALA 11 2HB ALA 11 7.981 12.802 0.635 86 H GLU 12 H GLU 12 7.875 10.078 1.935 87 HA GLU 12 HA GLU 12 5.252 8.897 1.141 88 HB2 GLU 12 2HB GLU 12 5.421 7.651 3.255 89 HB3 GLU 12 3HB GLU 12 6.883 7.428 2.297 90 HG2 GLU 12 2HG GLU 12 7.991 9.224 3.619 91 HG3 GLU 12 3HG GLU 12 6.546 9.350 4.622 92 H THR 13 H THR 13 5.642 11.780 1.479 93 HA THR 13 HA THR 13 4.616 12.626 4.040 94 HB THR 13 HB THR 13 4.394 14.071 1.383 95 HG1 THR 13 HG1 THR 13 6.564 13.297 2.707 96 HG21 THR 13 3HG2 THR 13 3.107 15.125 3.137 97 HG22 THR 13 1HG2 THR 13 4.569 16.078 2.879 98 HG23 THR 13 2HG2 THR 13 4.456 14.994 4.266 99 H VAL 14 H VAL 14 3.231 11.277 1.194 100 HA VAL 14 HA VAL 14 0.562 12.324 1.507 101 HB VAL 14 HB VAL 14 1.580 11.300 -0.600 102 HG11 VAL 14 1HG1 VAL 14 2.339 9.201 0.671 103 HG12 VAL 14 2HG1 VAL 14 1.554 8.940 -0.887 104 HG13 VAL 14 3HG1 VAL 14 0.650 8.689 0.608 105 HG21 VAL 14 3HG2 VAL 14 -1.117 10.332 0.384 106 HG22 VAL 14 1HG2 VAL 14 -0.606 10.340 -1.302 107 HG23 VAL 14 2HG2 VAL 14 -0.794 11.862 -0.432 108 H VAL 15 H VAL 15 2.315 9.836 3.114 109 HA VAL 15 HA VAL 15 1.649 8.036 4.437 110 HB VAL 15 HB VAL 15 1.740 9.670 6.091 111 HG11 VAL 15 1HG1 VAL 15 -0.841 10.767 4.967 112 HG12 VAL 15 2HG1 VAL 15 0.751 11.513 4.878 113 HG13 VAL 15 3HG1 VAL 15 -0.058 11.349 6.430 114 HG21 VAL 15 3HG2 VAL 15 -1.127 8.805 6.402 115 HG22 VAL 15 1HG2 VAL 15 0.106 9.008 7.644 116 HG23 VAL 15 2HG2 VAL 15 0.193 7.647 6.530 117 HA PRO 16 HA PRO 16 -2.274 6.971 2.325 118 HB2 PRO 16 2HB PRO 16 -1.737 4.364 1.821 119 HB3 PRO 16 3HB PRO 16 -1.041 5.678 0.853 120 HG2 PRO 16 2HG PRO 16 0.210 4.071 3.033 121 HG3 PRO 16 3HG PRO 16 0.911 4.642 1.515 122 HD2 PRO 16 2HD PRO 16 1.291 5.878 3.963 123 HD3 PRO 16 3HD PRO 16 1.479 6.703 2.397 124 H GLU 17 H GLU 17 -4.101 5.636 2.915 125 HA GLU 17 HA GLU 17 -4.087 4.952 5.798 126 HB2 GLU 17 2HB GLU 17 -5.935 6.339 4.880 127 HB3 GLU 17 3HB GLU 17 -6.390 4.999 3.829 128 HG2 GLU 17 2HG GLU 17 -6.808 3.571 5.779 129 HG3 GLU 17 3HG GLU 17 -6.292 4.868 6.856 130 H VAL 18 H VAL 18 -4.808 2.879 6.548 131 HA VAL 18 HA VAL 18 -4.472 0.676 4.532 132 HB VAL 18 HB VAL 18 -3.775 0.808 7.477 133 HG11 VAL 18 1HG1 VAL 18 -2.915 -1.576 6.989 134 HG12 VAL 18 2HG1 VAL 18 -3.968 -1.532 5.575 135 HG13 VAL 18 3HG1 VAL 18 -4.655 -1.377 7.192 136 HG21 VAL 18 3HG2 VAL 18 -2.190 0.502 4.917 137 HG22 VAL 18 1HG2 VAL 18 -1.515 0.142 6.503 138 HG23 VAL 18 2HG2 VAL 18 -2.053 1.778 6.125 139 H ARG 19 H ARG 19 -6.129 -0.735 4.331 140 HA ARG 19 HA ARG 19 -8.301 -0.713 6.401 141 HB2 ARG 19 2HB ARG 19 -8.583 -0.760 3.380 142 HB3 ARG 19 3HB ARG 19 -9.911 -1.010 4.517 143 HG2 ARG 19 2HG ARG 19 -9.511 1.213 5.495 144 HG3 ARG 19 3HG ARG 19 -8.171 1.469 4.376 145 HD2 ARG 19 2HD ARG 19 -11.012 0.912 3.481 146 HD3 ARG 19 3HD ARG 19 -10.343 2.535 3.652 147 HE ARG 19 HE ARG 19 -8.561 1.059 2.016 148 HH11 ARG 19 1HH2 ARG 19 -11.811 2.232 2.036 149 HH12 ARG 19 2HH2 ARG 19 -11.895 2.405 0.315 150 HH21 ARG 19 1HH1 ARG 19 -8.660 1.282 -0.224 151 HH22 ARG 19 2HH1 ARG 19 -10.115 1.866 -0.965 152 H LEU 20 H LEU 20 -9.197 -2.717 6.851 153 HA LEU 20 HA LEU 20 -7.820 -5.085 5.624 154 HB2 LEU 20 2HB LEU 20 -9.210 -4.841 8.309 155 HB3 LEU 20 3HB LEU 20 -8.320 -6.243 7.718 156 HG LEU 20 HG LEU 20 -7.150 -3.487 8.203 157 HD11 LEU 20 1HD1 LEU 20 -7.539 -4.475 10.326 158 HD12 LEU 20 2HD1 LEU 20 -5.847 -4.823 9.970 159 HD13 LEU 20 3HD1 LEU 20 -7.068 -6.077 9.756 160 HD21 LEU 20 3HD2 LEU 20 -6.049 -6.040 7.034 161 HD22 LEU 20 1HD2 LEU 20 -4.977 -4.966 7.935 162 HD23 LEU 20 2HD2 LEU 20 -5.808 -4.375 6.501 163 H SER 21 H SER 21 -9.047 -6.532 4.547 164 HA SER 21 HA SER 21 -11.926 -6.770 5.100 165 HB2 SER 21 2HB SER 21 -10.907 -5.880 2.384 166 HB3 SER 21 3HB SER 21 -12.567 -6.346 2.747 167 HG SER 21 HG SER 21 -12.727 -4.281 3.180 168 H LYS 22 H LYS 22 -12.874 -8.566 3.790 169 HA LYS 22 HA LYS 22 -10.902 -10.751 3.541 170 HB2 LYS 22 2HB LYS 22 -13.028 -11.104 4.766 171 HB3 LYS 22 3HB LYS 22 -13.923 -10.786 3.280 172 HG2 LYS 22 2HG LYS 22 -12.853 -12.703 2.192 173 HG3 LYS 22 3HG LYS 22 -11.875 -12.997 3.630 174 HD2 LYS 22 2HD LYS 22 -13.937 -13.382 4.944 175 HD3 LYS 22 3HD LYS 22 -14.902 -13.119 3.490 176 HE2 LYS 22 2HE LYS 22 -12.756 -15.247 3.720 177 HE3 LYS 22 3HE LYS 22 -14.470 -15.549 4.008 178 HZ1 LYS 22 3HZ LYS 22 -14.935 -15.464 1.834 179 HZ2 LYS 22 1HZ LYS 22 -13.278 -15.749 1.616 180 HZ3 LYS 22 2HZ LYS 22 -13.882 -14.163 1.542 181 H SER 23 H SER 23 -10.434 -11.802 1.631 182 HA SER 23 HA SER 23 -10.638 -10.375 -0.817 183 HB2 SER 23 2HB SER 23 -8.886 -12.013 -0.449 184 HB3 SER 23 3HB SER 23 -10.078 -13.298 -0.278 185 HG SER 23 HG SER 23 -10.518 -11.989 -2.562 186 H LYS 24 H LYS 24 -12.041 -10.497 -2.521 187 HA LYS 24 HA LYS 24 -14.667 -11.712 -2.021 188 HB2 LYS 24 2HB LYS 24 -13.546 -10.079 -4.315 189 HB3 LYS 24 3HB LYS 24 -15.216 -10.640 -4.232 190 HG2 LYS 24 2HG LYS 24 -15.530 -9.417 -2.114 191 HG3 LYS 24 3HG LYS 24 -13.857 -8.861 -2.185 192 HD2 LYS 24 2HD LYS 24 -14.319 -7.712 -4.315 193 HD3 LYS 24 3HD LYS 24 -15.992 -8.269 -4.256 194 HE2 LYS 24 2HE LYS 24 -16.313 -7.052 -2.124 195 HE3 LYS 24 3HE LYS 24 -14.649 -6.474 -2.213 196 HZ1 LYS 24 3HZ LYS 24 -16.196 -6.018 -4.605 197 HZ2 LYS 24 1HZ LYS 24 -15.173 -4.964 -3.756 198 HZ3 LYS 24 2HZ LYS 24 -16.776 -5.188 -3.240 199 H ASN 25 H ASN 25 -11.742 -12.578 -3.591 200 HA ASN 25 HA ASN 25 -13.090 -14.546 -5.372 201 HB2 ASN 25 2HB ASN 25 -10.218 -13.621 -5.088 202 HB3 ASN 25 3HB ASN 25 -10.689 -14.973 -6.118 203 HD21 ASN 25 1HD2 ASN 25 -9.552 -12.626 -7.275 204 HD22 ASN 25 2HD2 ASN 25 -10.748 -11.826 -8.175 205 H GLY 26 H GLY 26 -12.341 -14.421 -2.225 206 HA2 GLY 26 2HA GLY 26 -12.243 -16.169 -0.641 207 HA3 GLY 26 3HA GLY 26 -12.180 -17.326 -1.973 208 H GLN 27 H GLN 27 -9.923 -14.768 -2.233 209 HA GLN 27 HA GLN 27 -7.707 -16.638 -1.896 210 HB2 GLN 27 2HB GLN 27 -7.804 -13.674 -2.511 211 HB3 GLN 27 3HB GLN 27 -6.314 -14.616 -2.452 212 HG2 GLN 27 2HG GLN 27 -7.168 -16.111 -4.209 213 HG3 GLN 27 3HG GLN 27 -8.680 -15.204 -4.258 214 HE21 GLN 27 1HE2 GLN 27 -8.593 -14.107 -6.244 215 HE22 GLN 27 2HE2 GLN 27 -7.297 -13.131 -6.743 216 H SER 28 H SER 28 -9.052 -16.467 0.499 217 HA SER 28 HA SER 28 -8.657 -16.179 2.779 218 HB2 SER 28 2HB SER 28 -6.327 -16.923 1.949 219 HB3 SER 28 3HB SER 28 -5.881 -15.223 2.080 220 HG SER 28 HG SER 28 -5.586 -16.669 3.993 221 H GLY 29 H GLY 29 -7.288 -14.375 4.250 222 HA2 GLY 29 2HA GLY 29 -8.889 -12.001 3.981 223 HA3 GLY 29 3HA GLY 29 -7.589 -12.234 5.144 224 H MET 30 H MET 30 -7.984 -9.787 3.786 225 HA MET 30 HA MET 30 -5.334 -9.499 2.582 226 HB2 MET 30 2HB MET 30 -6.297 -8.395 0.508 227 HB3 MET 30 3HB MET 30 -6.470 -10.148 0.574 228 HG2 MET 30 2HG MET 30 -8.767 -10.019 1.108 229 HG3 MET 30 3HG MET 30 -8.647 -8.325 1.593 230 HE1 MET 30 3HE MET 30 -10.585 -7.177 -1.312 231 HE2 MET 30 1HE MET 30 -9.919 -6.800 0.283 232 HE3 MET 30 2HE MET 30 -10.911 -8.233 0.058 233 H ALA 31 H ALA 31 -5.141 -7.091 1.799 234 HA ALA 31 HA ALA 31 -6.827 -5.272 3.448 235 HB1 ALA 31 3HB ALA 31 -3.794 -5.383 3.533 236 HB2 ALA 31 1HB ALA 31 -4.883 -5.811 4.853 237 HB3 ALA 31 2HB ALA 31 -4.786 -4.141 4.297 238 H LYS 32 H LYS 32 -6.957 -3.181 2.561 239 HA LYS 32 HA LYS 32 -5.755 -2.880 -0.171 240 HB2 LYS 32 2HB LYS 32 -8.270 -1.730 1.060 241 HB3 LYS 32 3HB LYS 32 -7.631 -1.236 -0.509 242 HG2 LYS 32 2HG LYS 32 -7.758 -3.586 -1.285 243 HG3 LYS 32 3HG LYS 32 -8.442 -4.051 0.274 244 HD2 LYS 32 2HD LYS 32 -10.353 -2.545 -0.104 245 HD3 LYS 32 3HD LYS 32 -9.668 -2.059 -1.655 246 HE2 LYS 32 2HE LYS 32 -9.794 -4.404 -2.438 247 HE3 LYS 32 3HE LYS 32 -10.512 -4.870 -0.897 248 HZ1 LYS 32 3HZ LYS 32 -11.808 -3.879 -3.143 249 HZ2 LYS 32 1HZ LYS 32 -11.910 -2.671 -1.958 250 HZ3 LYS 32 2HZ LYS 32 -12.484 -4.235 -1.625 251 H PHE 33 H PHE 33 -4.709 -0.980 -0.695 252 HA PHE 33 HA PHE 33 -4.092 0.875 1.581 253 HB2 PHE 33 2HB PHE 33 -2.476 -0.006 -0.823 254 HB3 PHE 33 3HB PHE 33 -2.033 1.389 0.162 255 HD1 PHE 33 HD2 PHE 33 -2.473 -2.282 0.139 256 HD2 PHE 33 HD1 PHE 33 -1.211 1.127 2.427 257 HE1 PHE 33 HE2 PHE 33 -1.438 -3.789 1.814 258 HE2 PHE 33 HE1 PHE 33 -0.178 -0.381 4.102 259 HZ PHE 33 HZ PHE 33 -0.290 -2.838 3.795 260 H TYR 34 H TYR 34 -5.016 2.806 1.364 261 HA TYR 34 HA TYR 34 -6.045 3.684 -1.281 262 HB2 TYR 34 2HB TYR 34 -7.530 3.713 0.717 263 HB3 TYR 34 3HB TYR 34 -6.417 4.825 1.507 264 HD1 TYR 34 HD1 TYR 34 -8.505 4.433 -1.567 265 HD2 TYR 34 HD2 TYR 34 -6.637 7.149 1.187 266 HE1 TYR 34 HE1 TYR 34 -9.651 6.337 -2.665 267 HE2 TYR 34 HE2 TYR 34 -7.783 9.053 0.086 268 HH TYR 34 HH TYR 34 -8.763 9.412 -2.410 269 H PHE 35 H PHE 35 -4.852 5.124 -2.450 270 HA PHE 35 HA PHE 35 -2.830 6.824 -1.019 271 HB2 PHE 35 2HB PHE 35 -2.723 5.254 -3.536 272 HB3 PHE 35 3HB PHE 35 -2.023 6.854 -3.654 273 HD1 PHE 35 HD1 PHE 35 -0.590 7.480 -1.393 274 HD2 PHE 35 HD2 PHE 35 -1.224 3.543 -2.997 275 HE1 PHE 35 HE1 PHE 35 1.478 6.693 -0.285 276 HE2 PHE 35 HE2 PHE 35 0.846 2.762 -1.875 277 HZ PHE 35 HZ PHE 35 2.194 4.352 -0.526 278 H LEU 36 H LEU 36 -3.178 8.929 -1.064 279 HA LEU 36 HA LEU 36 -5.164 10.039 -3.008 280 HB2 LEU 36 2HB LEU 36 -5.719 10.195 -0.577 281 HB3 LEU 36 3HB LEU 36 -4.255 11.145 -0.336 282 HG LEU 36 HG LEU 36 -5.102 12.834 -1.945 283 HD11 LEU 36 1HD1 LEU 36 -6.576 11.828 -3.427 284 HD12 LEU 36 2HD1 LEU 36 -7.729 12.551 -2.312 285 HD13 LEU 36 3HD1 LEU 36 -7.334 10.837 -2.182 286 HD21 LEU 36 3HD2 LEU 36 -6.655 13.839 -0.427 287 HD22 LEU 36 1HD2 LEU 36 -5.563 12.874 0.566 288 HD23 LEU 36 2HD2 LEU 36 -7.176 12.270 0.188 289 H GLU 37 H GLU 37 -4.225 11.099 -4.629 290 HA GLU 37 HA GLU 37 -2.463 12.092 -5.876 291 HB2 GLU 37 2HB GLU 37 -3.155 14.059 -3.686 292 HB3 GLU 37 3HB GLU 37 -2.224 14.475 -5.126 293 HG2 GLU 37 2HG GLU 37 -4.945 13.166 -5.278 294 HG3 GLU 37 3HG GLU 37 -4.736 14.917 -5.267 295 HA PRO 38 HA PRO 38 0.990 11.052 -2.841 296 HB2 PRO 38 2HB PRO 38 1.719 9.243 -5.115 297 HB3 PRO 38 3HB PRO 38 1.678 8.895 -3.373 298 HG2 PRO 38 2HG PRO 38 -0.204 7.905 -4.904 299 HG3 PRO 38 3HG PRO 38 -0.647 8.671 -3.362 300 HD2 PRO 38 2HD PRO 38 -0.743 9.905 -6.117 301 HD3 PRO 38 3HD PRO 38 -2.037 9.808 -4.898 302 H THR 39 H THR 39 0.512 12.933 -5.313 303 HA THR 39 HA THR 39 1.793 14.342 -6.671 304 HB THR 39 HB THR 39 3.746 15.283 -5.606 305 HG1 THR 39 HG1 THR 39 3.883 13.699 -3.442 306 HG21 THR 39 3HG2 THR 39 1.560 15.822 -4.596 307 HG22 THR 39 1HG2 THR 39 2.837 15.799 -3.378 308 HG23 THR 39 2HG2 THR 39 1.723 14.438 -3.515 309 H ILE 40 H ILE 40 2.207 11.226 -6.716 310 HA ILE 40 HA ILE 40 4.901 11.096 -7.950 311 HB ILE 40 HB ILE 40 3.902 9.298 -6.391 312 HG12 ILE 40 2HG1 ILE 40 4.684 7.418 -8.116 313 HG13 ILE 40 3HG1 ILE 40 5.181 8.808 -9.076 314 HG21 ILE 40 1HG2 ILE 40 2.469 8.408 -8.900 315 HG22 ILE 40 2HG2 ILE 40 1.672 9.369 -7.654 316 HG23 ILE 40 3HG2 ILE 40 2.306 7.771 -7.262 317 HD11 ILE 40 3HD1 ILE 40 6.154 7.943 -6.360 318 HD12 ILE 40 1HD1 ILE 40 6.331 9.620 -6.874 319 HD13 ILE 40 2HD1 ILE 40 7.097 8.329 -7.798 320 H LEU 41 H LEU 41 1.648 11.613 -8.868 321 HA LEU 41 HA LEU 41 1.630 10.435 -11.481 322 HB2 LEU 41 2HB LEU 41 0.185 12.944 -10.579 323 HB3 LEU 41 3HB LEU 41 -0.272 11.881 -11.910 324 HG LEU 41 HG LEU 41 -0.164 11.070 -8.987 325 HD11 LEU 41 1HD1 LEU 41 -2.018 12.591 -9.369 326 HD12 LEU 41 2HD1 LEU 41 -2.661 10.955 -9.249 327 HD13 LEU 41 3HD1 LEU 41 -2.486 11.719 -10.829 328 HD21 LEU 41 3HD2 LEU 41 -1.538 9.098 -10.021 329 HD22 LEU 41 1HD2 LEU 41 0.213 9.095 -10.219 330 HD23 LEU 41 2HD2 LEU 41 -0.823 9.612 -11.549 331 H ALA 42 H ALA 42 2.603 13.651 -10.321 332 HA ALA 42 HA ALA 42 3.177 14.736 -12.924 333 HB1 ALA 42 3HB ALA 42 4.339 15.521 -10.235 334 HB2 ALA 42 1HB ALA 42 2.821 16.128 -10.898 335 HB3 ALA 42 2HB ALA 42 4.345 16.503 -11.701 336 H LYS 43 H LYS 43 5.083 12.937 -10.563 337 HA LYS 43 HA LYS 43 7.574 13.291 -12.070 338 HB2 LYS 43 2HB LYS 43 6.811 11.591 -9.681 339 HB3 LYS 43 3HB LYS 43 8.428 11.610 -10.385 340 HG2 LYS 43 2HG LYS 43 8.647 13.995 -9.947 341 HG3 LYS 43 3HG LYS 43 6.978 14.077 -9.384 342 HD2 LYS 43 2HD LYS 43 8.261 13.960 -7.394 343 HD3 LYS 43 3HD LYS 43 7.661 12.321 -7.627 344 HE2 LYS 43 2HE LYS 43 9.781 11.591 -8.522 345 HE3 LYS 43 3HE LYS 43 10.383 13.247 -8.591 346 HZ1 LYS 43 3HZ LYS 43 10.180 13.350 -6.166 347 HZ2 LYS 43 1HZ LYS 43 11.250 12.132 -6.660 348 HZ3 LYS 43 2HZ LYS 43 9.685 11.726 -6.138 349 H GLU 44 H GLU 44 5.781 10.352 -11.079 350 HA GLU 44 HA GLU 44 6.601 9.092 -13.680 351 HB2 GLU 44 2HB GLU 44 6.148 7.823 -10.961 352 HB3 GLU 44 3HB GLU 44 6.482 6.931 -12.445 353 HG2 GLU 44 2HG GLU 44 8.304 9.055 -11.275 354 HG3 GLU 44 3HG GLU 44 8.536 7.318 -11.069 355 H SER 45 H SER 45 5.048 8.010 -14.841 356 HA SER 45 HA SER 45 2.298 8.782 -14.384 357 HB2 SER 45 2HB SER 45 3.704 7.042 -16.402 358 HB3 SER 45 3HB SER 45 1.944 7.136 -16.364 359 HG SER 45 HG SER 45 3.607 9.428 -16.403 360 H THR 46 H THR 46 0.509 7.197 -14.265 361 HA THR 46 HA THR 46 0.841 5.351 -12.092 362 HB THR 46 HB THR 46 -1.484 4.645 -12.696 363 HG1 THR 46 HG1 THR 46 -1.236 6.563 -14.758 364 HG21 THR 46 3HG2 THR 46 -0.871 6.799 -11.399 365 HG22 THR 46 1HG2 THR 46 -2.498 6.684 -12.065 366 HG23 THR 46 2HG2 THR 46 -1.275 7.649 -12.890 367 H ASP 47 H ASP 47 0.822 4.990 -15.605 368 HA ASP 47 HA ASP 47 0.702 2.116 -15.643 369 HB2 ASP 47 2HB ASP 47 1.480 2.341 -17.974 370 HB3 ASP 47 3HB ASP 47 0.198 3.500 -17.623 371 H ASP 48 H ASP 48 3.290 4.396 -15.102 372 HA ASP 48 HA ASP 48 5.406 2.420 -15.594 373 HB2 ASP 48 2HB ASP 48 5.649 4.930 -15.924 374 HB3 ASP 48 3HB ASP 48 5.628 5.083 -14.167 375 H ILE 49 H ILE 49 3.238 3.065 -13.074 376 HA ILE 49 HA ILE 49 5.104 2.106 -10.957 377 HB ILE 49 HB ILE 49 2.247 3.120 -10.818 378 HG12 ILE 49 2HG1 ILE 49 4.823 4.342 -9.781 379 HG13 ILE 49 3HG1 ILE 49 4.101 4.769 -11.333 380 HG21 ILE 49 1HG2 ILE 49 2.724 3.127 -8.332 381 HG22 ILE 49 2HG2 ILE 49 4.173 2.183 -8.670 382 HG23 ILE 49 3HG2 ILE 49 2.581 1.517 -9.037 383 HD11 ILE 49 3HD1 ILE 49 3.325 6.398 -9.758 384 HD12 ILE 49 1HD1 ILE 49 2.917 5.155 -8.577 385 HD13 ILE 49 2HD1 ILE 49 1.967 5.313 -10.054 386 H THR 50 H THR 50 5.293 -0.064 -10.919 387 HA THR 50 HA THR 50 2.801 -1.718 -11.176 388 HB THR 50 HB THR 50 5.584 -2.400 -12.167 389 HG1 THR 50 HG1 THR 50 4.524 -0.915 -13.494 390 HG21 THR 50 3HG2 THR 50 4.388 -4.364 -13.163 391 HG22 THR 50 1HG2 THR 50 2.952 -3.896 -12.253 392 HG23 THR 50 2HG2 THR 50 4.417 -4.385 -11.400 393 H GLY 51 H GLY 51 2.417 -2.911 -9.422 394 HA2 GLY 51 2HA GLY 51 2.770 -4.186 -7.497 395 HA3 GLY 51 3HA GLY 51 4.462 -4.322 -7.969 396 H MET 52 H MET 52 3.471 -3.896 -5.296 397 HA MET 52 HA MET 52 4.555 -1.157 -4.713 398 HB2 MET 52 2HB MET 52 2.174 -1.420 -4.096 399 HB3 MET 52 3HB MET 52 2.596 -2.809 -3.093 400 HG2 MET 52 2HG MET 52 3.992 -1.420 -1.666 401 HG3 MET 52 3HG MET 52 3.748 -0.030 -2.724 402 HE1 MET 52 3HE MET 52 2.296 -2.756 -0.767 403 HE2 MET 52 1HE MET 52 0.708 -2.642 -1.535 404 HE3 MET 52 2HE MET 52 0.925 -2.110 0.129 405 H TYR 53 H TYR 53 6.334 -1.080 -3.453 406 HA TYR 53 HA TYR 53 7.341 -3.642 -2.271 407 HB2 TYR 53 2HB TYR 53 8.773 -1.120 -3.155 408 HB3 TYR 53 3HB TYR 53 9.560 -2.487 -2.363 409 HD1 TYR 53 HD2 TYR 53 7.664 -1.440 -5.385 410 HD2 TYR 53 HD1 TYR 53 10.049 -4.505 -3.552 411 HE1 TYR 53 HE2 TYR 53 7.835 -2.611 -7.565 412 HE2 TYR 53 HE1 TYR 53 10.219 -5.677 -5.730 413 HH TYR 53 HH TYR 53 9.792 -4.419 -8.530 414 H LEU 54 H LEU 54 7.134 -3.761 -0.111 415 HA LEU 54 HA LEU 54 6.888 -1.251 1.490 416 HB2 LEU 54 2HB LEU 54 6.448 -4.116 2.372 417 HB3 LEU 54 3HB LEU 54 5.940 -2.656 3.209 418 HG LEU 54 HG LEU 54 4.954 -3.499 0.466 419 HD11 LEU 54 1HD1 LEU 54 4.027 -5.037 2.037 420 HD12 LEU 54 2HD1 LEU 54 2.778 -3.822 1.760 421 HD13 LEU 54 3HD1 LEU 54 3.753 -3.765 3.228 422 HD21 LEU 54 3HD2 LEU 54 4.767 -1.142 0.597 423 HD22 LEU 54 1HD2 LEU 54 4.361 -1.184 2.313 424 HD23 LEU 54 2HD2 LEU 54 3.184 -1.712 1.114 425 H ILE 55 H ILE 55 8.899 -0.544 2.060 426 HA ILE 55 HA ILE 55 10.893 -2.566 3.047 427 HB ILE 55 HB ILE 55 11.304 0.177 1.821 428 HG12 ILE 55 2HG1 ILE 55 12.154 -2.557 0.814 429 HG13 ILE 55 3HG1 ILE 55 10.671 -1.756 0.296 430 HG21 ILE 55 1HG2 ILE 55 13.761 -0.663 1.896 431 HG22 ILE 55 2HG2 ILE 55 13.189 -1.806 3.109 432 HG23 ILE 55 3HG2 ILE 55 13.053 -0.071 3.397 433 HD11 ILE 55 3HD1 ILE 55 11.863 0.034 -0.716 434 HD12 ILE 55 1HD1 ILE 55 12.737 -1.422 -1.191 435 HD13 ILE 55 2HD1 ILE 55 13.364 -0.401 0.103 436 H ASP 56 H ASP 56 12.363 -1.685 4.771 437 HA ASP 56 HA ASP 56 11.283 0.545 6.381 438 HB2 ASP 56 2HB ASP 56 10.000 -1.417 7.163 439 HB3 ASP 56 3HB ASP 56 11.508 -2.274 7.481 440 H ASP 57 H ASP 57 12.963 -1.460 8.392 441 HA ASP 57 HA ASP 57 15.361 0.196 8.280 442 HB2 ASP 57 2HB ASP 57 14.526 -2.186 9.954 443 HB3 ASP 57 3HB ASP 57 16.075 -1.366 10.158 444 H GLU 58 H GLU 58 14.366 -2.869 6.991 445 HA GLU 58 HA GLU 58 16.708 -3.143 5.357 446 HB2 GLU 58 2HB GLU 58 17.738 -3.812 7.542 447 HB3 GLU 58 3HB GLU 58 16.528 -5.087 7.691 448 HG2 GLU 58 2HG GLU 58 17.328 -6.138 5.634 449 HG3 GLU 58 3HG GLU 58 18.487 -4.831 5.387 450 H GLY 59 H GLY 59 14.156 -4.926 7.068 451 HA2 GLY 59 2HA GLY 59 13.821 -7.014 5.176 452 HA3 GLY 59 3HA GLY 59 12.573 -6.461 6.292 453 H GLU 60 H GLU 60 12.408 -7.242 3.404 454 HA GLU 60 HA GLU 60 10.884 -4.857 2.515 455 HB2 GLU 60 2HB GLU 60 11.854 -4.984 0.256 456 HB3 GLU 60 3HB GLU 60 13.097 -4.633 1.456 457 HG2 GLU 60 2HG GLU 60 13.708 -7.034 1.506 458 HG3 GLU 60 3HG GLU 60 12.497 -7.359 0.265 459 H ILE 61 H ILE 61 9.146 -5.367 1.163 460 HA ILE 61 HA ILE 61 8.668 -8.282 0.631 461 HB ILE 61 HB ILE 61 6.635 -6.259 1.605 462 HG12 ILE 61 2HG1 ILE 61 7.688 -8.746 2.979 463 HG13 ILE 61 3HG1 ILE 61 8.305 -7.128 3.308 464 HG21 ILE 61 1HG2 ILE 61 5.197 -8.337 1.738 465 HG22 ILE 61 2HG2 ILE 61 6.455 -9.174 0.828 466 HG23 ILE 61 3HG2 ILE 61 5.593 -7.818 0.099 467 HD11 ILE 61 3HD1 ILE 61 5.511 -8.180 3.793 468 HD12 ILE 61 1HD1 ILE 61 5.884 -6.456 3.805 469 HD13 ILE 61 2HD1 ILE 61 6.646 -7.531 4.976 470 H ILE 62 H ILE 62 7.873 -8.703 -1.397 471 HA ILE 62 HA ILE 62 7.533 -6.354 -3.220 472 HB ILE 62 HB ILE 62 8.058 -9.273 -3.847 473 HG12 ILE 62 2HG1 ILE 62 10.319 -8.323 -4.530 474 HG13 ILE 62 3HG1 ILE 62 9.853 -6.829 -3.727 475 HG21 ILE 62 1HG2 ILE 62 6.942 -8.315 -5.713 476 HG22 ILE 62 2HG2 ILE 62 8.658 -8.209 -6.108 477 HG23 ILE 62 3HG2 ILE 62 7.797 -6.781 -5.537 478 HD11 ILE 62 3HD1 ILE 62 10.154 -7.704 -1.639 479 HD12 ILE 62 1HD1 ILE 62 11.196 -8.841 -2.485 480 HD13 ILE 62 2HD1 ILE 62 9.542 -9.296 -2.086 481 H THR 63 H THR 63 5.561 -5.936 -4.044 482 HA THR 63 HA THR 63 3.438 -8.053 -3.867 483 HB THR 63 HB THR 63 3.132 -5.052 -3.554 484 HG1 THR 63 HG1 THR 63 3.569 -5.508 -1.567 485 HG21 THR 63 3HG2 THR 63 1.182 -6.115 -4.631 486 HG22 THR 63 1HG2 THR 63 0.793 -5.615 -2.989 487 HG23 THR 63 2HG2 THR 63 1.120 -7.311 -3.338 488 H ARG 64 H ARG 64 2.525 -8.547 -5.774 489 HA ARG 64 HA ARG 64 2.998 -6.730 -8.116 490 HB2 ARG 64 2HB ARG 64 2.477 -9.721 -8.040 491 HB3 ARG 64 3HB ARG 64 2.781 -8.766 -9.490 492 HG2 ARG 64 2HG ARG 64 4.763 -8.796 -7.210 493 HG3 ARG 64 3HG ARG 64 4.775 -10.065 -8.432 494 HD2 ARG 64 2HD ARG 64 5.082 -7.087 -8.946 495 HD3 ARG 64 3HD ARG 64 6.349 -8.301 -9.061 496 HE ARG 64 HE ARG 64 4.220 -7.837 -11.025 497 HH11 ARG 64 1HH2 ARG 64 6.583 -9.981 -9.708 498 HH12 ARG 64 2HH2 ARG 64 6.733 -10.915 -11.159 499 HH21 ARG 64 1HH1 ARG 64 4.400 -9.047 -12.915 500 HH22 ARG 64 2HH1 ARG 64 5.498 -10.384 -12.976 501 H GLU 65 H GLU 65 0.903 -6.108 -6.423 502 HA GLU 65 HA GLU 65 -1.422 -6.655 -8.193 503 HB2 GLU 65 2HB GLU 65 -1.424 -7.055 -5.176 504 HB3 GLU 65 3HB GLU 65 -2.864 -7.057 -6.194 505 HG2 GLU 65 2HG GLU 65 -2.369 -9.344 -6.042 506 HG3 GLU 65 3HG GLU 65 -1.601 -8.903 -7.564 507 H VAL 66 H VAL 66 -0.879 -4.423 -8.780 508 HA VAL 66 HA VAL 66 -1.916 -2.443 -6.778 509 HB VAL 66 HB VAL 66 0.427 -2.192 -8.684 510 HG11 VAL 66 1HG1 VAL 66 0.515 0.180 -7.684 511 HG12 VAL 66 2HG1 VAL 66 -1.157 -0.088 -7.195 512 HG13 VAL 66 3HG1 VAL 66 -0.723 -0.115 -8.904 513 HG21 VAL 66 3HG2 VAL 66 0.132 -1.831 -5.686 514 HG22 VAL 66 1HG2 VAL 66 1.626 -1.641 -6.600 515 HG23 VAL 66 2HG2 VAL 66 0.864 -3.226 -6.479 516 H LYS 67 H LYS 67 -3.487 -1.128 -7.522 517 HA LYS 67 HA LYS 67 -4.022 -1.057 -10.475 518 HB2 LYS 67 2HB LYS 67 -5.999 -1.303 -8.195 519 HB3 LYS 67 3HB LYS 67 -6.453 -0.970 -9.867 520 HG2 LYS 67 2HG LYS 67 -5.247 -3.071 -10.539 521 HG3 LYS 67 3HG LYS 67 -5.020 -3.430 -8.830 522 HD2 LYS 67 2HD LYS 67 -7.729 -2.951 -10.098 523 HD3 LYS 67 3HD LYS 67 -7.030 -4.552 -9.870 524 HE2 LYS 67 2HE LYS 67 -6.783 -3.890 -7.385 525 HE3 LYS 67 3HE LYS 67 -7.885 -2.567 -7.762 526 HZ1 LYS 67 3HZ LYS 67 -8.452 -5.329 -7.395 527 HZ2 LYS 67 1HZ LYS 67 -9.024 -4.782 -8.896 528 HZ3 LYS 67 2HZ LYS 67 -9.519 -4.007 -7.469 529 H GLY 68 H GLY 68 -4.557 0.947 -11.281 530 HA2 GLY 68 2HA GLY 68 -4.144 3.235 -9.445 531 HA3 GLY 68 3HA GLY 68 -4.072 3.298 -11.197 532 H LYS 69 H LYS 69 -5.718 4.767 -9.033 533 HA LYS 69 HA LYS 69 -8.479 4.108 -9.885 534 HB2 LYS 69 2HB LYS 69 -7.549 6.358 -8.083 535 HB3 LYS 69 3HB LYS 69 -9.173 5.682 -8.201 536 HG2 LYS 69 2HG LYS 69 -8.152 3.453 -7.476 537 HG3 LYS 69 3HG LYS 69 -6.692 4.356 -7.095 538 HD2 LYS 69 2HD LYS 69 -7.761 4.412 -5.026 539 HD3 LYS 69 3HD LYS 69 -8.359 5.908 -5.734 540 HE2 LYS 69 2HE LYS 69 -10.410 4.764 -6.468 541 HE3 LYS 69 3HE LYS 69 -9.800 3.238 -5.829 542 HZ1 LYS 69 3HZ LYS 69 -11.334 4.353 -4.303 543 HZ2 LYS 69 1HZ LYS 69 -10.286 5.683 -4.218 544 HZ3 LYS 69 2HZ LYS 69 -9.786 4.171 -3.627 545 H PHE 70 H PHE 70 -8.865 4.847 -11.928 546 HA PHE 70 HA PHE 70 -7.783 7.468 -12.790 547 HB2 PHE 70 2HB PHE 70 -9.165 5.192 -14.218 548 HB3 PHE 70 3HB PHE 70 -8.857 6.743 -15.001 549 HD1 PHE 70 HD2 PHE 70 -6.521 7.564 -15.276 550 HD2 PHE 70 HD1 PHE 70 -7.391 3.631 -13.792 551 HE1 PHE 70 HE2 PHE 70 -4.181 6.878 -15.725 552 HE2 PHE 70 HE1 PHE 70 -5.051 2.944 -14.238 553 HZ PHE 70 HZ PHE 70 -3.446 4.568 -15.205 554 H ILE 71 H ILE 71 -9.017 9.248 -13.041 555 HA ILE 71 HA ILE 71 -11.961 9.016 -12.526 556 HB ILE 71 HB ILE 71 -10.114 11.364 -12.006 557 HG12 ILE 71 2HG1 ILE 71 -9.614 9.541 -10.467 558 HG13 ILE 71 3HG1 ILE 71 -10.504 10.793 -9.604 559 HG21 ILE 71 1HG2 ILE 71 -13.049 10.854 -11.466 560 HG22 ILE 71 2HG2 ILE 71 -12.340 12.145 -12.438 561 HG23 ILE 71 3HG2 ILE 71 -12.137 12.147 -10.686 562 HD11 ILE 71 3HD1 ILE 71 -11.414 8.061 -10.454 563 HD12 ILE 71 1HD1 ILE 71 -12.613 9.341 -10.284 564 HD13 ILE 71 2HD1 ILE 71 -11.625 8.874 -8.906 565 H ASN 72 H ASN 72 -13.277 9.729 -14.075 566 HA ASN 72 HA ASN 72 -13.920 10.382 -16.226 567 HB2 ASN 72 2HB ASN 72 -13.522 12.747 -16.682 568 HB3 ASN 72 3HB ASN 72 -13.911 12.522 -14.979 569 HD21 ASN 72 1HD2 ASN 72 -12.621 13.883 -13.751 570 HD22 ASN 72 2HD2 ASN 72 -10.974 14.186 -14.028 571 H GLY 73 H GLY 73 -11.116 9.082 -15.851 572 HA2 GLY 73 2HA GLY 73 -9.988 8.138 -17.827 573 HA3 GLY 73 3HA GLY 73 -10.182 9.690 -18.633 574 H ARG 74 H ARG 74 -9.399 11.064 -15.999 575 HA ARG 74 HA ARG 74 -6.472 10.788 -16.456 576 HB2 ARG 74 2HB ARG 74 -6.235 13.005 -15.700 577 HB3 ARG 74 3HB ARG 74 -7.750 13.029 -16.596 578 HG2 ARG 74 2HG ARG 74 -8.892 12.571 -14.327 579 HG3 ARG 74 3HG ARG 74 -7.348 13.012 -13.599 580 HD2 ARG 74 2HD ARG 74 -8.828 14.978 -13.737 581 HD3 ARG 74 3HD ARG 74 -7.420 15.188 -14.780 582 HE ARG 74 HE ARG 74 -9.536 13.998 -16.293 583 HH11 ARG 74 1HH2 ARG 74 -8.584 16.938 -14.751 584 HH12 ARG 74 2HH2 ARG 74 -9.476 17.947 -15.840 585 HH21 ARG 74 1HH1 ARG 74 -10.700 15.301 -17.713 586 HH22 ARG 74 2HH1 ARG 74 -10.673 17.021 -17.516 587 HA PRO 75 HA PRO 75 -5.904 8.769 -12.534 588 HB2 PRO 75 2HB PRO 75 -3.345 9.569 -11.921 589 HB3 PRO 75 3HB PRO 75 -3.722 8.349 -13.152 590 HG2 PRO 75 2HG PRO 75 -3.111 11.252 -13.502 591 HG3 PRO 75 3HG PRO 75 -2.544 9.858 -14.443 592 HD2 PRO 75 2HD PRO 75 -4.556 11.447 -15.319 593 HD3 PRO 75 3HD PRO 75 -4.522 9.705 -15.666 594 H THR 76 H THR 76 -6.184 9.181 -10.368 595 HA THR 76 HA THR 76 -5.786 11.951 -9.347 596 HB THR 76 HB THR 76 -8.319 10.413 -8.736 597 HG1 THR 76 HG1 THR 76 -8.229 10.759 -10.977 598 HG21 THR 76 3HG2 THR 76 -7.527 12.355 -7.315 599 HG22 THR 76 1HG2 THR 76 -9.133 12.549 -8.020 600 HG23 THR 76 2HG2 THR 76 -7.751 13.383 -8.731 601 H ALA 77 H ALA 77 -6.203 8.494 -8.781 602 HA ALA 77 HA ALA 77 -4.605 8.738 -6.325 603 HB1 ALA 77 3HB ALA 77 -7.532 8.027 -6.314 604 HB2 ALA 77 1HB ALA 77 -6.639 9.069 -5.208 605 HB3 ALA 77 2HB ALA 77 -6.453 7.319 -5.109 606 H ILE 78 H ILE 78 -4.304 6.456 -5.356 607 HA ILE 78 HA ILE 78 -4.402 4.378 -7.502 608 HB ILE 78 HB ILE 78 -2.032 5.114 -5.779 609 HG12 ILE 78 2HG1 ILE 78 -2.342 4.934 -8.790 610 HG13 ILE 78 3HG1 ILE 78 -2.534 6.433 -7.882 611 HG21 ILE 78 1HG2 ILE 78 -2.087 2.716 -5.847 612 HG22 ILE 78 2HG2 ILE 78 -0.936 3.218 -7.085 613 HG23 ILE 78 3HG2 ILE 78 -2.560 2.713 -7.547 614 HD11 ILE 78 3HD1 ILE 78 -0.043 4.725 -7.737 615 HD12 ILE 78 1HD1 ILE 78 -0.258 6.364 -7.125 616 HD13 ILE 78 2HD1 ILE 78 -0.229 6.070 -8.864 617 H GLU 79 H GLU 79 -4.751 2.294 -6.815 618 HA GLU 79 HA GLU 79 -5.175 1.874 -3.873 619 HB2 GLU 79 2HB GLU 79 -7.339 2.131 -5.061 620 HB3 GLU 79 3HB GLU 79 -6.884 0.829 -6.156 621 HG2 GLU 79 2HG GLU 79 -6.763 -0.742 -4.285 622 HG3 GLU 79 3HG GLU 79 -7.121 0.555 -3.144 623 H ALA 80 H ALA 80 -4.473 -0.117 -3.102 624 HA ALA 80 HA ALA 80 -3.507 -2.136 -5.076 625 HB1 ALA 80 3HB ALA 80 -1.814 -1.041 -2.808 626 HB2 ALA 80 1HB ALA 80 -1.558 -0.702 -4.518 627 HB3 ALA 80 2HB ALA 80 -1.357 -2.342 -3.905 628 H THR 81 H THR 81 -3.641 -4.239 -4.291 629 HA THR 81 HA THR 81 -4.736 -4.567 -1.511 630 HB THR 81 HB THR 81 -5.460 -6.118 -4.014 631 HG1 THR 81 HG1 THR 81 -6.305 -3.923 -3.687 632 HG21 THR 81 3HG2 THR 81 -5.530 -7.564 -2.071 633 HG22 THR 81 1HG2 THR 81 -7.185 -7.118 -2.489 634 HG23 THR 81 2HG2 THR 81 -6.377 -6.331 -1.135 635 H VAL 82 H VAL 82 -3.716 -6.053 -0.270 636 HA VAL 82 HA VAL 82 -1.617 -7.769 -1.561 637 HB VAL 82 HB VAL 82 -1.770 -6.480 1.177 638 HG11 VAL 82 1HG1 VAL 82 -0.073 -8.770 0.173 639 HG12 VAL 82 2HG1 VAL 82 -0.943 -8.627 1.699 640 HG13 VAL 82 3HG1 VAL 82 0.525 -7.690 1.434 641 HG21 VAL 82 3HG2 VAL 82 -0.865 -5.275 -0.923 642 HG22 VAL 82 1HG2 VAL 82 0.473 -6.422 -0.845 643 HG23 VAL 82 2HG2 VAL 82 0.182 -5.314 0.494 644 H ILE 83 H ILE 83 -1.886 -9.922 -1.372 645 HA ILE 83 HA ILE 83 -4.236 -10.932 0.096 646 HB ILE 83 HB ILE 83 -2.222 -12.487 -1.541 647 HG12 ILE 83 2HG1 ILE 83 -3.045 -10.704 -2.956 648 HG13 ILE 83 3HG1 ILE 83 -3.889 -12.184 -3.410 649 HG21 ILE 83 1HG2 ILE 83 -4.020 -14.091 -1.771 650 HG22 ILE 83 2HG2 ILE 83 -5.153 -13.001 -0.973 651 HG23 ILE 83 3HG2 ILE 83 -3.833 -13.727 -0.055 652 HD11 ILE 83 3HD1 ILE 83 -4.934 -9.833 -1.831 653 HD12 ILE 83 1HD1 ILE 83 -5.713 -11.412 -1.727 654 HD13 ILE 83 2HD1 ILE 83 -5.615 -10.578 -3.275 655 H LEU 84 H LEU 84 -4.095 -11.713 2.104 656 HA LEU 84 HA LEU 84 -1.418 -12.370 3.239 657 HB2 LEU 84 2HB LEU 84 -4.112 -12.016 4.593 658 HB3 LEU 84 3HB LEU 84 -2.564 -12.221 5.412 659 HG LEU 84 HG LEU 84 -3.238 -9.937 3.528 660 HD11 LEU 84 1HD1 LEU 84 -3.208 -8.569 5.621 661 HD12 LEU 84 2HD1 LEU 84 -3.095 -10.062 6.555 662 HD13 LEU 84 3HD1 LEU 84 -4.529 -9.737 5.579 663 HD21 LEU 84 3HD2 LEU 84 -1.117 -9.009 4.769 664 HD22 LEU 84 1HD2 LEU 84 -0.896 -10.152 3.450 665 HD23 LEU 84 2HD2 LEU 84 -0.793 -10.705 5.120 666 H ASN 85 H ASN 85 -2.005 -14.286 1.535 667 HA ASN 85 HA ASN 85 -3.744 -16.375 2.428 668 HB2 ASN 85 2HB ASN 85 -1.283 -16.386 0.661 669 HB3 ASN 85 3HB ASN 85 -2.275 -17.817 0.931 670 HD21 ASN 85 1HD2 ASN 85 -4.813 -16.195 1.039 671 HD22 ASN 85 2HD2 ASN 85 -5.131 -15.742 -0.563 672 H SER 86 H SER 86 -0.302 -15.705 3.012 673 HA SER 86 HA SER 86 0.003 -18.145 4.611 674 HB2 SER 86 2HB SER 86 1.981 -15.869 4.555 675 HB3 SER 86 3HB SER 86 2.279 -17.596 4.725 676 HG SER 86 HG SER 86 1.248 -16.317 2.415 677 H GLN 87 H GLN 87 0.222 -18.228 6.864 678 HA GLN 87 HA GLN 87 -1.247 -16.237 8.349 679 HB2 GLN 87 2HB GLN 87 -0.354 -18.921 8.746 680 HB3 GLN 87 3HB GLN 87 0.283 -17.986 10.094 681 HG2 GLN 87 2HG GLN 87 -2.621 -18.027 9.212 682 HG3 GLN 87 3HG GLN 87 -1.960 -18.896 10.596 683 HE21 GLN 87 1HE2 GLN 87 -0.080 -16.304 10.761 684 HE22 GLN 87 2HE2 GLN 87 -1.045 -15.236 11.663 685 HA PRO 88 HA PRO 88 3.236 -15.374 10.209 686 HB2 PRO 88 2HB PRO 88 4.753 -15.795 7.657 687 HB3 PRO 88 3HB PRO 88 5.232 -16.163 9.327 688 HG2 PRO 88 2HG PRO 88 4.510 -18.096 7.647 689 HG3 PRO 88 3HG PRO 88 4.062 -18.158 9.363 690 HD2 PRO 88 2HD PRO 88 2.358 -17.465 6.999 691 HD3 PRO 88 3HD PRO 88 1.925 -18.346 8.472 692 H GLU 89 H GLU 89 2.150 -14.671 6.944 693 HA GLU 89 HA GLU 89 3.438 -12.177 6.530 694 HB2 GLU 89 2HB GLU 89 2.096 -13.501 4.841 695 HB3 GLU 89 3HB GLU 89 0.637 -12.909 5.639 696 HG2 GLU 89 2HG GLU 89 1.066 -11.421 3.809 697 HG3 GLU 89 3HG GLU 89 1.528 -10.559 5.275 698 H TRP 90 H TRP 90 0.453 -13.005 8.261 699 HA TRP 90 HA TRP 90 -0.524 -10.378 8.704 700 HB2 TRP 90 2HB TRP 90 -0.745 -12.972 10.227 701 HB3 TRP 90 3HB TRP 90 -1.437 -11.498 10.901 702 HD1 TRP 90 HD1 TRP 90 -1.890 -14.029 8.113 703 HE1 TRP 90 HE1 TRP 90 -4.149 -13.603 6.949 704 HE3 TRP 90 HE3 TRP 90 -3.179 -9.607 10.304 705 HZ2 TRP 90 HZ2 TRP 90 -6.228 -11.637 6.948 706 HZ3 TRP 90 HZ3 TRP 90 -5.301 -8.478 9.706 707 HH2 TRP 90 HH2 TRP 90 -6.828 -9.486 8.032 708 H ASP 91 H ASP 91 1.943 -12.240 10.431 709 HA ASP 91 HA ASP 91 2.275 -10.520 12.667 710 HB2 ASP 91 2HB ASP 91 3.323 -12.757 12.455 711 HB3 ASP 91 3HB ASP 91 4.382 -12.129 11.191 712 H ARG 92 H ARG 92 3.839 -10.473 9.464 713 HA ARG 92 HA ARG 92 5.530 -8.218 9.976 714 HB2 ARG 92 2HB ARG 92 4.380 -9.380 7.425 715 HB3 ARG 92 3HB ARG 92 5.533 -8.046 7.439 716 HG2 ARG 92 2HG ARG 92 7.165 -9.441 8.637 717 HG3 ARG 92 3HG ARG 92 6.008 -10.772 8.686 718 HD2 ARG 92 2HD ARG 92 5.985 -10.870 6.229 719 HD3 ARG 92 3HD ARG 92 7.102 -9.509 6.155 720 HE ARG 92 HE ARG 92 8.873 -10.952 6.833 721 HH11 ARG 92 1HH2 ARG 92 5.765 -12.456 7.007 722 HH12 ARG 92 2HH2 ARG 92 6.409 -14.052 7.203 723 HH21 ARG 92 1HH1 ARG 92 9.717 -13.025 7.086 724 HH22 ARG 92 2HH1 ARG 92 8.643 -14.373 7.249 725 H PHE 93 H PHE 93 2.245 -8.500 8.651 726 HA PHE 93 HA PHE 93 1.933 -5.719 8.017 727 HB2 PHE 93 2HB PHE 93 0.222 -8.129 8.198 728 HB3 PHE 93 3HB PHE 93 -0.646 -6.643 8.562 729 HD1 PHE 93 HD2 PHE 93 1.681 -8.154 6.043 730 HD2 PHE 93 HD1 PHE 93 -1.405 -5.272 6.821 731 HE1 PHE 93 HE2 PHE 93 1.568 -7.619 3.624 732 HE2 PHE 93 HE1 PHE 93 -1.520 -4.737 4.406 733 HZ PHE 93 HZ PHE 93 -0.031 -5.905 2.808 734 H MET 94 H MET 94 1.234 -7.604 10.943 735 HA MET 94 HA MET 94 -0.160 -5.599 12.383 736 HB2 MET 94 2HB MET 94 0.018 -7.967 13.087 737 HB3 MET 94 3HB MET 94 1.724 -7.714 13.461 738 HG2 MET 94 2HG MET 94 1.157 -6.056 15.152 739 HG3 MET 94 3HG MET 94 -0.553 -6.165 14.729 740 HE1 MET 94 3HE MET 94 2.493 -8.589 15.531 741 HE2 MET 94 1HE MET 94 2.018 -9.012 17.182 742 HE3 MET 94 2HE MET 94 2.304 -7.329 16.747 743 H ARG 95 H ARG 95 3.337 -6.297 12.266 744 HA ARG 95 HA ARG 95 4.098 -4.230 14.099 745 HB2 ARG 95 2HB ARG 95 5.574 -6.120 13.425 746 HB3 ARG 95 3HB ARG 95 5.711 -5.409 11.817 747 HG2 ARG 95 2HG ARG 95 6.703 -3.377 12.775 748 HG3 ARG 95 3HG ARG 95 6.531 -4.042 14.399 749 HD2 ARG 95 2HD ARG 95 7.984 -5.972 13.687 750 HD3 ARG 95 3HD ARG 95 8.262 -5.132 12.162 751 HE ARG 95 HE ARG 95 8.861 -3.466 14.469 752 HH11 ARG 95 1HH2 ARG 95 9.996 -5.944 12.347 753 HH12 ARG 95 2HH2 ARG 95 11.668 -5.573 12.604 754 HH21 ARG 95 1HH1 ARG 95 11.034 -2.977 14.809 755 HH22 ARG 95 2HH1 ARG 95 12.256 -3.897 13.995 756 H PHE 96 H PHE 96 3.651 -4.281 10.588 757 HA PHE 96 HA PHE 96 4.716 -1.714 9.987 758 HB2 PHE 96 2HB PHE 96 4.151 -3.267 8.213 759 HB3 PHE 96 3HB PHE 96 2.458 -3.284 8.705 760 HD1 PHE 96 HD1 PHE 96 1.096 -1.149 8.522 761 HD2 PHE 96 HD2 PHE 96 4.987 -1.574 6.767 762 HE1 PHE 96 HE1 PHE 96 0.654 0.806 7.066 763 HE2 PHE 96 HE2 PHE 96 4.549 0.383 5.310 764 HZ PHE 96 HZ PHE 96 2.379 1.573 5.459 765 H MET 97 H MET 97 1.378 -2.669 10.842 766 HA MET 97 HA MET 97 0.300 -0.017 10.689 767 HB2 MET 97 2HB MET 97 -1.086 -2.086 10.697 768 HB3 MET 97 3HB MET 97 -0.646 -2.348 12.386 769 HG2 MET 97 2HG MET 97 -1.674 -0.215 13.016 770 HG3 MET 97 3HG MET 97 -2.059 0.119 11.328 771 HE1 MET 97 3HE MET 97 -3.306 -1.275 9.864 772 HE2 MET 97 1HE MET 97 -4.620 -0.316 10.563 773 HE3 MET 97 2HE MET 97 -4.826 -2.047 10.309 774 H GLU 98 H GLU 98 1.738 -1.884 13.344 775 HA GLU 98 HA GLU 98 1.192 0.088 15.381 776 HB2 GLU 98 2HB GLU 98 3.236 -2.144 15.202 777 HB3 GLU 98 3HB GLU 98 2.979 -1.166 16.648 778 HG2 GLU 98 2HG GLU 98 0.645 -1.890 16.763 779 HG3 GLU 98 3HG GLU 98 0.833 -2.802 15.264 780 H ARG 99 H ARG 99 4.170 -0.738 13.581 781 HA ARG 99 HA ARG 99 5.725 1.430 14.624 782 HB2 ARG 99 2HB ARG 99 6.663 -0.589 13.496 783 HB3 ARG 99 3HB ARG 99 6.011 -0.003 11.967 784 HG2 ARG 99 2HG ARG 99 7.371 2.040 12.151 785 HG3 ARG 99 3HG ARG 99 8.017 1.478 13.693 786 HD2 ARG 99 2HD ARG 99 8.917 -0.544 12.524 787 HD3 ARG 99 3HD ARG 99 8.362 0.135 10.997 788 HE ARG 99 HE ARG 99 10.106 1.759 11.110 789 HH11 ARG 99 1HH2 ARG 99 9.834 -0.130 13.992 790 HH12 ARG 99 2HH2 ARG 99 11.367 0.373 14.616 791 HH21 ARG 99 1HH1 ARG 99 12.102 2.419 11.917 792 HH22 ARG 99 2HH1 ARG 99 12.650 1.814 13.446 793 H TYR 100 H TYR 100 4.127 1.061 11.445 794 HA TYR 100 HA TYR 100 4.645 3.732 10.575 795 HB2 TYR 100 2HB TYR 100 3.884 1.679 9.200 796 HB3 TYR 100 3HB TYR 100 2.250 2.095 9.721 797 HD1 TYR 100 HD2 TYR 100 5.305 3.621 8.195 798 HD2 TYR 100 HD1 TYR 100 1.019 3.689 8.482 799 HE1 TYR 100 HE2 TYR 100 5.216 5.355 6.431 800 HE2 TYR 100 HE1 TYR 100 0.931 5.429 6.713 801 HH TYR 100 HH TYR 100 3.915 6.807 5.355 802 H GLY 101 H GLY 101 1.804 2.266 12.144 803 HA2 GLY 101 2HA GLY 101 0.217 4.645 12.164 804 HA3 GLY 101 3HA GLY 101 -0.029 3.258 13.221 805 H ALA 102 H ALA 102 2.644 3.384 14.383 806 HA ALA 102 HA ALA 102 2.133 5.126 16.582 807 HB1 ALA 102 3HB ALA 102 3.617 3.264 16.888 808 HB2 ALA 102 1HB ALA 102 4.594 4.720 17.083 809 HB3 ALA 102 2HB ALA 102 4.664 3.806 15.576 810 H GLU 103 H GLU 103 4.136 5.525 13.673 811 HA GLU 103 HA GLU 103 5.216 8.089 14.436 812 HB2 GLU 103 2HB GLU 103 4.835 6.802 11.715 813 HB3 GLU 103 3HB GLU 103 5.768 8.270 12.000 814 HG2 GLU 103 2HG GLU 103 6.328 5.598 13.323 815 HG3 GLU 103 3HG GLU 103 7.193 6.217 11.916 816 H ASN 104 H ASN 104 2.354 7.074 12.602 817 HA ASN 104 HA ASN 104 1.060 9.621 13.170 818 HB2 ASN 104 2HB ASN 104 0.623 10.072 10.694 819 HB3 ASN 104 3HB ASN 104 2.259 10.409 11.257 820 HD21 ASN 104 1HD2 ASN 104 3.908 9.453 10.059 821 HD22 ASN 104 2HD2 ASN 104 3.708 8.131 9.013 822 H GLY 105 H GLY 105 -0.936 8.954 13.721 823 HA2 GLY 105 2HA GLY 105 -2.009 6.398 13.091 824 HA3 GLY 105 3HA GLY 105 -2.923 7.741 13.772 825 H LEU 106 H LEU 106 -3.527 5.764 11.599 826 HA LEU 106 HA LEU 106 -3.933 7.574 9.263 827 HB2 LEU 106 2HB LEU 106 -4.526 4.608 9.427 828 HB3 LEU 106 3HB LEU 106 -4.337 5.597 7.989 829 HG LEU 106 HG LEU 106 -2.292 4.381 8.213 830 HD11 LEU 106 1HD1 LEU 106 -2.216 6.917 7.790 831 HD12 LEU 106 2HD1 LEU 106 -0.708 6.138 8.267 832 HD13 LEU 106 3HD1 LEU 106 -1.637 7.058 9.450 833 HD21 LEU 106 3HD2 LEU 106 -1.250 3.835 10.180 834 HD22 LEU 106 1HD2 LEU 106 -2.817 4.187 10.897 835 HD23 LEU 106 2HD2 LEU 106 -1.548 5.403 10.912 836 H GLY 107 H GLY 107 -5.517 6.239 11.961 837 HA2 GLY 107 2HA GLY 107 -7.760 6.175 12.622 838 HA3 GLY 107 3HA GLY 107 -7.894 7.660 11.684 839 H PHE 108 H PHE 108 -10.140 6.508 11.515 840 HA PHE 108 HA PHE 108 -10.199 4.470 9.352 841 HB2 PHE 108 2HB PHE 108 -12.261 5.563 11.275 842 HB3 PHE 108 3HB PHE 108 -12.716 4.560 9.897 843 HD1 PHE 108 HD2 PHE 108 -11.940 2.224 9.722 844 HD2 PHE 108 HD1 PHE 108 -11.069 4.630 13.172 845 HE1 PHE 108 HE2 PHE 108 -11.315 0.185 10.987 846 HE2 PHE 108 HE1 PHE 108 -10.443 2.590 14.437 847 HZ PHE 108 HZ PHE 108 -10.565 0.368 13.343 848 H SER 109 H SER 109 -10.646 5.010 7.303 849 HA SER 109 HA SER 109 -11.426 6.213 5.448 850 HB2 SER 109 2HB SER 109 -13.337 7.504 5.688 851 HB3 SER 109 3HB SER 109 -13.397 6.624 7.213 852 HG SER 109 HG SER 109 -13.202 9.237 6.820 853 H LYS 110 H LYS 110 -10.388 8.200 8.208 854 HA LYS 110 HA LYS 110 -8.999 10.076 8.297 855 HB2 LYS 110 2HB LYS 110 -7.522 8.164 7.275 856 HB3 LYS 110 3HB LYS 110 -7.662 9.092 5.782 857 HG2 LYS 110 2HG LYS 110 -6.709 11.059 6.855 858 HG3 LYS 110 3HG LYS 110 -6.703 10.249 8.419 859 HD2 LYS 110 2HD LYS 110 -4.467 10.099 7.571 860 HD3 LYS 110 3HD LYS 110 -5.184 8.497 7.409 861 HE2 LYS 110 2HE LYS 110 -5.484 8.744 5.069 862 HE3 LYS 110 3HE LYS 110 -5.255 10.493 5.139 863 HZ1 LYS 110 3HZ LYS 110 -3.009 9.180 6.224 864 HZ2 LYS 110 1HZ LYS 110 -3.089 10.224 4.891 865 HZ3 LYS 110 2HZ LYS 110 -3.333 8.557 4.677 866 H SER 111 H SER 111 -11.302 9.789 6.081 867 HA SER 111 HA SER 111 -10.526 12.058 4.347 868 HB2 SER 111 2HB SER 111 -11.753 10.074 3.444 869 HB3 SER 111 3HB SER 111 -13.119 10.488 4.477 870 HG SER 111 HG SER 111 -12.218 11.649 2.144 871 H GLU 112 H GLU 112 -12.159 11.463 7.307 872 HA GLU 112 HA GLU 112 -13.072 14.305 7.395 873 HB2 GLU 112 2HB GLU 112 -14.724 11.867 8.130 874 HB3 GLU 112 3HB GLU 112 -15.163 13.523 8.552 875 HG2 GLU 112 2HG GLU 112 -15.211 14.137 6.175 876 HG3 GLU 112 3HG GLU 112 -14.712 12.505 5.729 877 H LEU 113 H LEU 113 -11.458 11.696 8.803 878 HA LEU 113 HA LEU 113 -11.850 12.547 11.595 879 HB2 LEU 113 2HB LEU 113 -10.233 10.401 10.234 880 HB3 LEU 113 3HB LEU 113 -9.951 10.799 11.927 881 HG LEU 113 HG LEU 113 -12.385 10.432 12.375 882 HD11 LEU 113 1HD1 LEU 113 -13.561 9.068 10.532 883 HD12 LEU 113 2HD1 LEU 113 -12.319 9.688 9.445 884 HD13 LEU 113 3HD1 LEU 113 -13.409 10.803 10.267 885 HD21 LEU 113 3HD2 LEU 113 -12.268 7.921 12.023 886 HD22 LEU 113 1HD2 LEU 113 -10.888 8.629 12.862 887 HD23 LEU 113 2HD2 LEU 113 -10.754 8.194 11.160 888 H GLU 114 H GLU 114 -10.024 13.648 9.016 889 HA GLU 114 HA GLU 114 -7.916 14.773 10.837 890 HB2 GLU 114 2HB GLU 114 -7.785 14.051 7.894 891 HB3 GLU 114 3HB GLU 114 -6.539 14.973 8.733 892 HG2 GLU 114 2HG GLU 114 -7.477 12.217 9.584 893 HG3 GLU 114 3HG GLU 114 -6.039 12.513 8.605 894 H HIS 115 H HIS 115 -9.728 16.373 11.216 895 HA HIS 115 HA HIS 115 -10.549 18.175 9.131 896 HB2 HIS 115 2HB HIS 115 -10.442 18.454 12.148 897 HB3 HIS 115 3HB HIS 115 -11.166 19.662 11.083 898 HD1 HIS 115 HD1 HIS 115 -13.225 18.808 9.588 899 HD2 HIS 115 HD2 HIS 115 -12.080 16.259 12.683 900 HE1 HIS 115 HE1 HIS 115 -15.131 17.173 9.912 901 H HIS 116 H HIS 116 -7.961 18.244 11.556 902 HA HIS 116 HA HIS 116 -6.616 20.402 9.973 903 HB2 HIS 116 2HB HIS 116 -7.666 21.313 12.062 904 HB3 HIS 116 3HB HIS 116 -6.664 20.206 13.000 905 HD1 HIS 116 HD1 HIS 116 -6.117 22.832 10.272 906 HD2 HIS 116 HD2 HIS 116 -4.266 21.359 13.705 907 HE1 HIS 116 HE1 HIS 116 -4.028 24.221 10.610 908 H HIS 117 H HIS 117 -4.676 19.716 9.309 909 HA HIS 117 HA HIS 117 -2.969 18.091 11.084 910 HB2 HIS 117 2HB HIS 117 -4.343 16.435 9.800 911 HB3 HIS 117 3HB HIS 117 -3.715 17.124 8.302 912 HD1 HIS 117 HD1 HIS 117 -2.327 15.635 11.536 913 HD2 HIS 117 HD2 HIS 117 -1.362 15.929 7.490 914 HE1 HIS 117 HE1 HIS 117 -0.206 14.292 11.205 915 H HIS 118 H HIS 118 -3.018 20.789 9.834 916 HA HIS 118 HA HIS 118 -1.135 20.910 7.671 917 HB2 HIS 118 2HB HIS 118 -1.965 22.920 9.783 918 HB3 HIS 118 3HB HIS 118 -0.852 23.312 8.473 919 HD1 HIS 118 HD1 HIS 118 -4.439 22.294 9.101 920 HD2 HIS 118 HD2 HIS 118 -2.074 23.688 5.964 921 HE1 HIS 118 HE1 HIS 118 -6.021 22.848 7.203 922 H HIS 119 H HIS 119 -0.802 21.007 11.200 923 HA HIS 119 HA HIS 119 2.033 21.552 11.160 924 HB2 HIS 119 2HB HIS 119 1.923 20.873 13.569 925 HB3 HIS 119 3HB HIS 119 0.740 22.104 13.132 926 HD1 HIS 119 HD1 HIS 119 1.027 18.445 13.991 927 HD2 HIS 119 HD2 HIS 119 -1.958 21.267 13.272 928 HE1 HIS 119 HE1 HIS 119 -1.160 17.366 14.675 929 H HIS 120 H HIS 120 3.733 20.155 11.102 930 HA HIS 120 HA HIS 120 3.342 17.464 10.160 931 HB2 HIS 120 2HB HIS 120 5.791 18.871 11.264 932 HB3 HIS 120 3HB HIS 120 5.820 17.298 10.466 933 HD1 HIS 120 HD1 HIS 120 7.418 19.368 9.047 934 HD2 HIS 120 HD2 HIS 120 3.320 18.982 8.385 935 HE1 HIS 120 HE1 HIS 120 6.954 20.416 6.787 Start of MODEL 7 1 H1 MET 1 1H MET 1 14.826 1.651 9.033 2 H2 MET 1 2H MET 1 14.528 1.896 7.379 3 H3 MET 1 3H MET 1 13.758 0.626 8.205 4 HA MET 1 HA MET 1 12.765 2.436 9.679 5 HB2 MET 1 2HB MET 1 14.232 4.233 8.851 6 HB3 MET 1 3HB MET 1 13.573 4.031 7.229 7 HG2 MET 1 2HG MET 1 11.344 4.659 8.022 8 HG3 MET 1 3HG MET 1 11.939 4.760 9.680 9 HE1 MET 1 3HE MET 1 11.214 7.013 6.515 10 HE2 MET 1 1HE MET 1 12.361 5.715 6.153 11 HE3 MET 1 2HE MET 1 12.883 7.397 6.097 12 H ALA 2 H ALA 2 10.552 2.447 9.394 13 HA ALA 2 HA ALA 2 9.503 0.834 7.213 14 HB1 ALA 2 3HB ALA 2 8.301 2.260 9.582 15 HB2 ALA 2 1HB ALA 2 8.402 0.527 9.273 16 HB3 ALA 2 2HB ALA 2 7.271 1.522 8.355 17 H GLU 3 H GLU 3 8.951 1.618 5.249 18 HA GLU 3 HA GLU 3 7.566 4.196 5.016 19 HB2 GLU 3 2HB GLU 3 9.161 5.132 3.390 20 HB3 GLU 3 3HB GLU 3 9.946 4.878 4.948 21 HG2 GLU 3 2HG GLU 3 10.819 2.695 4.101 22 HG3 GLU 3 3HG GLU 3 10.123 3.065 2.523 23 H ILE 4 H ILE 4 6.534 4.424 2.951 24 HA ILE 4 HA ILE 4 6.364 1.857 1.403 25 HB ILE 4 HB ILE 4 4.344 4.094 1.743 26 HG12 ILE 4 2HG1 ILE 4 4.232 1.210 2.668 27 HG13 ILE 4 3HG1 ILE 4 4.746 2.540 3.706 28 HG21 ILE 4 1HG2 ILE 4 4.020 3.202 -0.437 29 HG22 ILE 4 2HG2 ILE 4 2.862 2.343 0.577 30 HG23 ILE 4 3HG2 ILE 4 4.367 1.557 0.097 31 HD11 ILE 4 3HD1 ILE 4 2.074 2.426 2.277 32 HD12 ILE 4 1HD1 ILE 4 2.590 3.635 3.454 33 HD13 ILE 4 2HD1 ILE 4 2.319 1.968 3.962 34 H GLN 5 H GLN 5 7.074 1.933 -0.688 35 HA GLN 5 HA GLN 5 6.905 4.467 -2.195 36 HB2 GLN 5 2HB GLN 5 9.348 4.288 -2.849 37 HB3 GLN 5 3HB GLN 5 9.070 4.780 -1.179 38 HG2 GLN 5 2HG GLN 5 9.428 2.469 -0.425 39 HG3 GLN 5 3HG GLN 5 9.683 1.957 -2.096 40 HE21 GLN 5 1HE2 GLN 5 11.597 2.080 0.327 41 HE22 GLN 5 2HE2 GLN 5 12.938 2.941 -0.255 42 H PHE 6 H PHE 6 7.433 4.125 -4.495 43 HA PHE 6 HA PHE 6 6.807 1.320 -5.343 44 HB2 PHE 6 2HB PHE 6 6.509 3.987 -6.765 45 HB3 PHE 6 3HB PHE 6 6.128 2.420 -7.483 46 HD1 PHE 6 HD1 PHE 6 5.136 4.923 -4.971 47 HD2 PHE 6 HD2 PHE 6 4.205 1.119 -6.729 48 HE1 PHE 6 HE1 PHE 6 2.894 4.986 -3.915 49 HE2 PHE 6 HE2 PHE 6 1.963 1.177 -5.671 50 HZ PHE 6 HZ PHE 6 1.307 3.111 -4.265 51 H SER 7 H SER 7 9.080 3.990 -5.691 52 HA SER 7 HA SER 7 10.797 2.281 -7.468 53 HB2 SER 7 2HB SER 7 10.177 4.356 -8.559 54 HB3 SER 7 3HB SER 7 10.666 5.294 -7.150 55 HG SER 7 HG SER 7 12.533 3.541 -8.256 56 H LYS 8 H LYS 8 12.732 1.659 -6.692 57 HA LYS 8 HA LYS 8 13.418 2.072 -3.937 58 HB2 LYS 8 2HB LYS 8 15.129 1.068 -6.228 59 HB3 LYS 8 3HB LYS 8 15.487 0.867 -4.515 60 HG2 LYS 8 2HG LYS 8 12.913 -0.146 -5.729 61 HG3 LYS 8 3HG LYS 8 14.377 -1.124 -5.717 62 HD2 LYS 8 2HD LYS 8 14.482 -0.865 -3.235 63 HD3 LYS 8 3HD LYS 8 12.949 -0.000 -3.284 64 HE2 LYS 8 2HE LYS 8 11.848 -1.949 -4.283 65 HE3 LYS 8 3HE LYS 8 13.378 -2.829 -4.263 66 HZ1 LYS 8 3HZ LYS 8 13.094 -1.885 -1.717 67 HZ2 LYS 8 1HZ LYS 8 12.813 -3.478 -2.230 68 HZ3 LYS 8 2HZ LYS 8 11.524 -2.373 -2.141 69 H GLY 9 H GLY 9 14.730 3.536 -2.976 70 HA2 GLY 9 2HA GLY 9 16.543 5.115 -2.878 71 HA3 GLY 9 3HA GLY 9 16.500 5.252 -4.635 72 H VAL 10 H VAL 10 13.372 5.388 -4.113 73 HA VAL 10 HA VAL 10 13.368 8.363 -3.819 74 HB VAL 10 HB VAL 10 11.175 6.541 -4.849 75 HG11 VAL 10 1HG1 VAL 10 10.264 8.628 -5.758 76 HG12 VAL 10 2HG1 VAL 10 11.633 9.531 -5.112 77 HG13 VAL 10 3HG1 VAL 10 10.473 8.785 -4.015 78 HG21 VAL 10 3HG2 VAL 10 11.960 7.455 -7.087 79 HG22 VAL 10 1HG2 VAL 10 13.073 6.324 -6.319 80 HG23 VAL 10 2HG2 VAL 10 13.393 8.057 -6.253 81 H ALA 11 H ALA 11 12.873 9.087 -1.833 82 HA ALA 11 HA ALA 11 11.408 7.385 0.073 83 HB1 ALA 11 3HB ALA 11 13.363 8.667 0.830 84 HB2 ALA 11 1HB ALA 11 11.911 9.210 1.670 85 HB3 ALA 11 2HB ALA 11 12.579 10.171 0.350 86 H GLU 12 H GLU 12 9.297 7.354 -0.837 87 HA GLU 12 HA GLU 12 7.876 9.771 -1.539 88 HB2 GLU 12 2HB GLU 12 6.926 6.954 -0.927 89 HB3 GLU 12 3HB GLU 12 5.887 8.232 -1.560 90 HG2 GLU 12 2HG GLU 12 8.418 7.255 -2.915 91 HG3 GLU 12 3HG GLU 12 6.793 6.731 -3.350 92 H THR 13 H THR 13 6.579 11.048 -0.271 93 HA THR 13 HA THR 13 6.539 10.473 2.661 94 HB THR 13 HB THR 13 5.984 12.853 2.898 95 HG1 THR 13 HG1 THR 13 6.247 13.940 0.658 96 HG21 THR 13 3HG2 THR 13 8.082 13.745 2.237 97 HG22 THR 13 1HG2 THR 13 8.195 12.659 0.850 98 HG23 THR 13 2HG2 THR 13 8.387 12.025 2.485 99 H VAL 14 H VAL 14 4.655 9.762 0.113 100 HA VAL 14 HA VAL 14 2.070 10.742 0.676 101 HB VAL 14 HB VAL 14 2.845 8.001 -0.369 102 HG11 VAL 14 1HG1 VAL 14 0.554 8.295 -1.522 103 HG12 VAL 14 2HG1 VAL 14 0.251 9.555 -0.329 104 HG13 VAL 14 3HG1 VAL 14 0.540 7.896 0.194 105 HG21 VAL 14 3HG2 VAL 14 2.696 8.999 -2.564 106 HG22 VAL 14 1HG2 VAL 14 3.773 10.007 -1.596 107 HG23 VAL 14 2HG2 VAL 14 2.111 10.520 -1.888 108 H VAL 15 H VAL 15 0.436 10.098 2.080 109 HA VAL 15 HA VAL 15 1.181 8.085 4.179 110 HB VAL 15 HB VAL 15 -0.563 9.438 5.543 111 HG11 VAL 15 1HG1 VAL 15 2.141 10.563 4.752 112 HG12 VAL 15 2HG1 VAL 15 1.817 9.428 6.059 113 HG13 VAL 15 3HG1 VAL 15 1.223 11.085 6.165 114 HG21 VAL 15 3HG2 VAL 15 0.261 11.597 3.583 115 HG22 VAL 15 1HG2 VAL 15 -0.954 11.692 4.858 116 HG23 VAL 15 2HG2 VAL 15 -1.260 10.719 3.419 117 HA PRO 16 HA PRO 16 -2.554 6.458 1.990 118 HB2 PRO 16 2HB PRO 16 -1.727 3.892 1.703 119 HB3 PRO 16 3HB PRO 16 -1.188 5.183 0.613 120 HG2 PRO 16 2HG PRO 16 0.248 3.915 2.897 121 HG3 PRO 16 3HG PRO 16 0.872 4.440 1.327 122 HD2 PRO 16 2HD PRO 16 1.116 5.902 3.671 123 HD3 PRO 16 3HD PRO 16 1.219 6.605 2.043 124 H GLU 17 H GLU 17 -4.281 5.186 2.807 125 HA GLU 17 HA GLU 17 -4.084 4.581 5.702 126 HB2 GLU 17 2HB GLU 17 -6.417 4.763 3.779 127 HB3 GLU 17 3HB GLU 17 -6.585 4.280 5.470 128 HG2 GLU 17 2HG GLU 17 -5.630 6.399 6.209 129 HG3 GLU 17 3HG GLU 17 -5.341 6.883 4.539 130 H VAL 18 H VAL 18 -4.265 2.517 6.535 131 HA VAL 18 HA VAL 18 -4.142 0.281 4.567 132 HB VAL 18 HB VAL 18 -3.620 0.229 7.548 133 HG11 VAL 18 1HG1 VAL 18 -2.992 -1.653 5.258 134 HG12 VAL 18 2HG1 VAL 18 -4.042 -1.968 6.639 135 HG13 VAL 18 3HG1 VAL 18 -2.301 -1.813 6.872 136 HG21 VAL 18 3HG2 VAL 18 -2.013 1.750 6.686 137 HG22 VAL 18 1HG2 VAL 18 -1.818 0.829 5.194 138 HG23 VAL 18 2HG2 VAL 18 -1.177 0.198 6.711 139 H ARG 19 H ARG 19 -5.835 -1.093 4.337 140 HA ARG 19 HA ARG 19 -7.904 -1.232 6.503 141 HB2 ARG 19 2HB ARG 19 -8.433 -1.089 3.516 142 HB3 ARG 19 3HB ARG 19 -9.648 -1.290 4.774 143 HG2 ARG 19 2HG ARG 19 -9.798 1.006 4.598 144 HG3 ARG 19 3HG ARG 19 -8.440 0.957 5.716 145 HD2 ARG 19 2HD ARG 19 -7.920 2.458 3.858 146 HD3 ARG 19 3HD ARG 19 -6.879 1.038 3.767 147 HE ARG 19 HE ARG 19 -8.005 0.375 1.788 148 HH11 ARG 19 1HH2 ARG 19 -9.613 2.942 3.444 149 HH12 ARG 19 2HH2 ARG 19 -10.701 3.277 2.137 150 HH21 ARG 19 1HH1 ARG 19 -9.413 0.799 0.083 151 HH22 ARG 19 2HH1 ARG 19 -10.586 2.064 0.233 152 H LEU 20 H LEU 20 -8.818 -3.291 6.773 153 HA LEU 20 HA LEU 20 -7.306 -5.493 5.462 154 HB2 LEU 20 2HB LEU 20 -9.076 -5.306 7.906 155 HB3 LEU 20 3HB LEU 20 -8.557 -6.858 7.252 156 HG LEU 20 HG LEU 20 -7.077 -6.033 9.086 157 HD11 LEU 20 1HD1 LEU 20 -5.133 -6.807 8.108 158 HD12 LEU 20 2HD1 LEU 20 -5.369 -5.894 6.623 159 HD13 LEU 20 3HD1 LEU 20 -6.297 -7.365 6.911 160 HD21 LEU 20 3HD2 LEU 20 -6.107 -3.902 7.185 161 HD22 LEU 20 1HD2 LEU 20 -5.835 -4.038 8.919 162 HD23 LEU 20 2HD2 LEU 20 -7.423 -3.574 8.314 163 H SER 21 H SER 21 -8.206 -6.492 3.766 164 HA SER 21 HA SER 21 -11.177 -6.361 3.399 165 HB2 SER 21 2HB SER 21 -8.972 -6.862 1.380 166 HB3 SER 21 3HB SER 21 -10.697 -6.777 1.024 167 HG SER 21 HG SER 21 -9.778 -4.650 2.474 168 H LYS 22 H LYS 22 -12.083 -8.322 2.258 169 HA LYS 22 HA LYS 22 -10.717 -10.840 3.152 170 HB2 LYS 22 2HB LYS 22 -12.751 -10.040 4.510 171 HB3 LYS 22 3HB LYS 22 -13.713 -10.469 3.101 172 HG2 LYS 22 2HG LYS 22 -12.888 -12.766 3.179 173 HG3 LYS 22 3HG LYS 22 -11.817 -12.368 4.518 174 HD2 LYS 22 2HD LYS 22 -14.807 -11.965 4.701 175 HD3 LYS 22 3HD LYS 22 -14.057 -13.509 5.099 176 HE2 LYS 22 2HE LYS 22 -12.550 -12.225 6.710 177 HE3 LYS 22 3HE LYS 22 -13.601 -10.835 6.451 178 HZ1 LYS 22 3HZ LYS 22 -15.001 -13.281 7.027 179 HZ2 LYS 22 1HZ LYS 22 -15.221 -11.724 7.664 180 HZ3 LYS 22 2HZ LYS 22 -14.011 -12.736 8.296 181 H SER 23 H SER 23 -10.689 -12.479 1.689 182 HA SER 23 HA SER 23 -11.047 -11.968 -1.068 183 HB2 SER 23 2HB SER 23 -11.170 -14.694 0.221 184 HB3 SER 23 3HB SER 23 -10.598 -14.295 -1.395 185 HG SER 23 HG SER 23 -9.221 -14.386 0.862 186 H LYS 24 H LYS 24 -12.508 -13.507 -2.456 187 HA LYS 24 HA LYS 24 -15.238 -12.788 -1.996 188 HB2 LYS 24 2HB LYS 24 -14.000 -14.868 -3.823 189 HB3 LYS 24 3HB LYS 24 -15.693 -14.373 -3.887 190 HG2 LYS 24 2HG LYS 24 -15.003 -12.040 -4.310 191 HG3 LYS 24 3HG LYS 24 -13.309 -12.528 -4.239 192 HD2 LYS 24 2HD LYS 24 -13.704 -14.076 -6.150 193 HD3 LYS 24 3HD LYS 24 -15.364 -13.487 -6.253 194 HE2 LYS 24 2HE LYS 24 -12.916 -11.713 -6.478 195 HE3 LYS 24 3HE LYS 24 -13.809 -12.348 -7.860 196 HZ1 LYS 24 3HZ LYS 24 -15.299 -10.747 -7.633 197 HZ2 LYS 24 1HZ LYS 24 -14.370 -10.066 -6.388 198 HZ3 LYS 24 2HZ LYS 24 -15.597 -11.180 -6.017 199 H ASN 25 H ASN 25 -13.497 -15.880 -1.529 200 HA ASN 25 HA ASN 25 -15.896 -16.941 -0.064 201 HB2 ASN 25 2HB ASN 25 -13.521 -18.375 -1.303 202 HB3 ASN 25 3HB ASN 25 -14.812 -19.164 -0.401 203 HD21 ASN 25 1HD2 ASN 25 -16.881 -17.260 -1.539 204 HD22 ASN 25 2HD2 ASN 25 -17.129 -17.780 -3.135 205 H GLY 26 H GLY 26 -12.933 -15.477 0.451 206 HA2 GLY 26 2HA GLY 26 -11.743 -15.139 2.452 207 HA3 GLY 26 3HA GLY 26 -12.985 -16.074 3.282 208 H GLN 27 H GLN 27 -11.158 -17.304 0.529 209 HA GLN 27 HA GLN 27 -10.306 -19.602 2.126 210 HB2 GLN 27 2HB GLN 27 -9.254 -20.346 -0.012 211 HB3 GLN 27 3HB GLN 27 -10.961 -19.957 -0.195 212 HG2 GLN 27 2HG GLN 27 -8.992 -17.736 -0.693 213 HG3 GLN 27 3HG GLN 27 -9.088 -19.013 -1.896 214 HE21 GLN 27 1HE2 GLN 27 -10.745 -16.246 -0.551 215 HE22 GLN 27 2HE2 GLN 27 -12.081 -16.284 -1.596 216 H SER 28 H SER 28 -9.076 -16.500 1.616 217 HA SER 28 HA SER 28 -6.560 -17.230 2.903 218 HB2 SER 28 2HB SER 28 -5.151 -16.192 1.088 219 HB3 SER 28 3HB SER 28 -5.886 -17.728 0.641 220 HG SER 28 HG SER 28 -7.544 -16.516 -0.386 221 H GLY 29 H GLY 29 -5.294 -15.315 3.473 222 HA2 GLY 29 2HA GLY 29 -6.982 -13.136 4.320 223 HA3 GLY 29 3HA GLY 29 -5.232 -13.225 4.516 224 H MET 30 H MET 30 -6.941 -10.953 3.634 225 HA MET 30 HA MET 30 -5.319 -10.216 1.284 226 HB2 MET 30 2HB MET 30 -7.348 -11.276 0.315 227 HB3 MET 30 3HB MET 30 -8.346 -10.118 1.196 228 HG2 MET 30 2HG MET 30 -7.300 -8.254 0.015 229 HG3 MET 30 3HG MET 30 -6.198 -9.360 -0.806 230 HE1 MET 30 3HE MET 30 -10.660 -8.676 -1.492 231 HE2 MET 30 1HE MET 30 -9.464 -7.447 -1.058 232 HE3 MET 30 2HE MET 30 -9.856 -8.738 0.073 233 H ALA 31 H ALA 31 -5.041 -7.973 1.151 234 HA ALA 31 HA ALA 31 -6.620 -6.246 2.988 235 HB1 ALA 31 3HB ALA 31 -3.600 -6.531 3.000 236 HB2 ALA 31 1HB ALA 31 -4.702 -6.812 4.348 237 HB3 ALA 31 2HB ALA 31 -4.453 -5.176 3.740 238 H LYS 32 H LYS 32 -6.699 -4.082 2.280 239 HA LYS 32 HA LYS 32 -5.497 -3.571 -0.421 240 HB2 LYS 32 2HB LYS 32 -8.151 -2.717 0.739 241 HB3 LYS 32 3HB LYS 32 -7.475 -2.067 -0.755 242 HG2 LYS 32 2HG LYS 32 -7.398 -4.321 -1.726 243 HG3 LYS 32 3HG LYS 32 -8.001 -5.004 -0.221 244 HD2 LYS 32 2HD LYS 32 -9.921 -4.830 -1.600 245 HD3 LYS 32 3HD LYS 32 -10.028 -3.452 -0.507 246 HE2 LYS 32 2HE LYS 32 -9.267 -1.933 -2.193 247 HE3 LYS 32 3HE LYS 32 -8.757 -3.248 -3.250 248 HZ1 LYS 32 3HZ LYS 32 -11.285 -2.022 -3.043 249 HZ2 LYS 32 1HZ LYS 32 -11.432 -3.670 -2.670 250 HZ3 LYS 32 2HZ LYS 32 -10.756 -3.194 -4.153 251 H PHE 33 H PHE 33 -4.566 -1.591 -0.782 252 HA PHE 33 HA PHE 33 -4.258 0.201 1.608 253 HB2 PHE 33 2HB PHE 33 -2.357 -0.494 -0.646 254 HB3 PHE 33 3HB PHE 33 -2.089 0.853 0.463 255 HD1 PHE 33 HD1 PHE 33 -1.610 0.465 2.832 256 HD2 PHE 33 HD2 PHE 33 -2.235 -2.806 0.120 257 HE1 PHE 33 HE1 PHE 33 -0.685 -1.106 4.512 258 HE2 PHE 33 HE2 PHE 33 -1.308 -4.377 1.800 259 HZ PHE 33 HZ PHE 33 -0.534 -3.527 3.997 260 H TYR 34 H TYR 34 -4.926 2.268 1.327 261 HA TYR 34 HA TYR 34 -5.787 3.099 -1.416 262 HB2 TYR 34 2HB TYR 34 -7.436 3.048 0.543 263 HB3 TYR 34 3HB TYR 34 -6.531 4.409 1.205 264 HD1 TYR 34 HD2 TYR 34 -8.633 3.255 -1.606 265 HD2 TYR 34 HD1 TYR 34 -6.611 6.599 0.178 266 HE1 TYR 34 HE2 TYR 34 -9.845 4.797 -3.122 267 HE2 TYR 34 HE1 TYR 34 -7.822 8.141 -1.339 268 HH TYR 34 HH TYR 34 -10.391 7.704 -2.733 269 H PHE 35 H PHE 35 -4.643 4.654 -2.417 270 HA PHE 35 HA PHE 35 -2.685 6.260 -0.808 271 HB2 PHE 35 2HB PHE 35 -2.689 5.317 -3.683 272 HB3 PHE 35 3HB PHE 35 -1.582 6.550 -3.081 273 HD1 PHE 35 HD1 PHE 35 -2.679 3.027 -2.622 274 HD2 PHE 35 HD2 PHE 35 0.310 5.984 -1.758 275 HE1 PHE 35 HE1 PHE 35 -1.204 1.265 -1.688 276 HE2 PHE 35 HE2 PHE 35 1.783 4.226 -0.827 277 HZ PHE 35 HZ PHE 35 1.024 1.868 -0.787 278 H LEU 36 H LEU 36 -3.358 8.290 -0.488 279 HA LEU 36 HA LEU 36 -5.357 9.486 -2.308 280 HB2 LEU 36 2HB LEU 36 -5.751 9.675 0.101 281 HB3 LEU 36 3HB LEU 36 -4.188 10.459 0.318 282 HG LEU 36 HG LEU 36 -4.916 12.361 -1.051 283 HD11 LEU 36 1HD1 LEU 36 -7.312 10.596 -1.515 284 HD12 LEU 36 2HD1 LEU 36 -6.386 11.548 -2.674 285 HD13 LEU 36 3HD1 LEU 36 -7.499 12.349 -1.573 286 HD21 LEU 36 3HD2 LEU 36 -5.402 12.632 1.263 287 HD22 LEU 36 1HD2 LEU 36 -6.766 11.514 1.185 288 HD23 LEU 36 2HD2 LEU 36 -6.881 13.099 0.421 289 H GLU 37 H GLU 37 -4.848 10.946 -3.814 290 HA GLU 37 HA GLU 37 -3.411 12.122 -5.279 291 HB2 GLU 37 2HB GLU 37 -3.263 13.519 -2.605 292 HB3 GLU 37 3HB GLU 37 -2.557 14.205 -4.067 293 HG2 GLU 37 2HG GLU 37 -4.696 14.235 -5.179 294 HG3 GLU 37 3HG GLU 37 -5.444 13.321 -3.871 295 HA PRO 38 HA PRO 38 0.482 9.970 -3.827 296 HB2 PRO 38 2HB PRO 38 0.505 9.187 -6.704 297 HB3 PRO 38 3HB PRO 38 0.733 8.181 -5.264 298 HG2 PRO 38 2HG PRO 38 -1.516 8.081 -6.710 299 HG3 PRO 38 3HG PRO 38 -1.530 7.893 -4.951 300 HD2 PRO 38 2HD PRO 38 -2.298 10.284 -6.592 301 HD3 PRO 38 3HD PRO 38 -3.035 9.656 -5.100 302 H THR 39 H THR 39 2.520 10.846 -4.061 303 HA THR 39 HA THR 39 2.776 13.301 -5.650 304 HB THR 39 HB THR 39 4.988 13.461 -4.547 305 HG1 THR 39 HG1 THR 39 5.678 11.828 -3.254 306 HG21 THR 39 3HG2 THR 39 4.126 13.512 -2.184 307 HG22 THR 39 1HG2 THR 39 2.651 12.737 -2.760 308 HG23 THR 39 2HG2 THR 39 3.084 14.346 -3.337 309 H ILE 40 H ILE 40 3.556 9.956 -6.009 310 HA ILE 40 HA ILE 40 5.839 10.211 -7.723 311 HB ILE 40 HB ILE 40 5.077 8.102 -6.576 312 HG12 ILE 40 2HG1 ILE 40 5.270 7.658 -9.563 313 HG13 ILE 40 3HG1 ILE 40 6.653 8.237 -8.636 314 HG21 ILE 40 1HG2 ILE 40 3.282 6.807 -7.524 315 HG22 ILE 40 2HG2 ILE 40 3.106 7.931 -8.871 316 HG23 ILE 40 3HG2 ILE 40 2.658 8.431 -7.241 317 HD11 ILE 40 3HD1 ILE 40 6.689 6.275 -7.272 318 HD12 ILE 40 1HD1 ILE 40 6.503 5.704 -8.930 319 HD13 ILE 40 2HD1 ILE 40 5.105 5.758 -7.854 320 H LEU 41 H LEU 41 2.827 11.414 -8.224 321 HA LEU 41 HA LEU 41 2.543 10.705 -11.067 322 HB2 LEU 41 2HB LEU 41 1.093 12.732 -9.334 323 HB3 LEU 41 3HB LEU 41 0.643 12.312 -10.986 324 HG LEU 41 HG LEU 41 0.788 10.341 -8.690 325 HD11 LEU 41 1HD1 LEU 41 -1.562 11.786 -9.944 326 HD12 LEU 41 2HD1 LEU 41 -1.029 11.870 -8.265 327 HD13 LEU 41 3HD1 LEU 41 -1.729 10.379 -8.894 328 HD21 LEU 41 3HD2 LEU 41 1.026 9.027 -10.605 329 HD22 LEU 41 1HD2 LEU 41 0.086 10.129 -11.611 330 HD23 LEU 41 2HD2 LEU 41 -0.726 9.071 -10.457 331 H ALA 42 H ALA 42 4.388 12.881 -9.269 332 HA ALA 42 HA ALA 42 4.461 14.963 -11.385 333 HB1 ALA 42 3HB ALA 42 4.476 15.615 -8.981 334 HB2 ALA 42 1HB ALA 42 5.917 16.168 -9.834 335 HB3 ALA 42 2HB ALA 42 6.004 14.756 -8.780 336 H LYS 43 H LYS 43 6.119 12.119 -10.403 337 HA LYS 43 HA LYS 43 8.535 12.839 -12.019 338 HB2 LYS 43 2HB LYS 43 8.043 10.664 -9.963 339 HB3 LYS 43 3HB LYS 43 9.521 10.804 -10.916 340 HG2 LYS 43 2HG LYS 43 9.894 13.071 -10.016 341 HG3 LYS 43 3HG LYS 43 8.415 12.936 -9.064 342 HD2 LYS 43 2HD LYS 43 9.371 10.966 -7.893 343 HD3 LYS 43 3HD LYS 43 10.866 11.169 -8.806 344 HE2 LYS 43 2HE LYS 43 9.648 13.224 -6.935 345 HE3 LYS 43 3HE LYS 43 11.053 12.217 -6.580 346 HZ1 LYS 43 3HZ LYS 43 11.598 13.379 -9.003 347 HZ2 LYS 43 1HZ LYS 43 12.267 13.807 -7.505 348 HZ3 LYS 43 2HZ LYS 43 10.898 14.627 -8.087 349 H GLU 44 H GLU 44 6.187 10.177 -11.506 350 HA GLU 44 HA GLU 44 6.504 9.482 -14.392 351 HB2 GLU 44 2HB GLU 44 6.626 7.528 -12.073 352 HB3 GLU 44 3HB GLU 44 6.502 7.064 -13.770 353 HG2 GLU 44 2HG GLU 44 8.746 8.732 -12.591 354 HG3 GLU 44 3HG GLU 44 8.851 7.008 -12.945 355 H SER 45 H SER 45 4.701 8.403 -15.291 356 HA SER 45 HA SER 45 2.167 9.253 -14.196 357 HB2 SER 45 2HB SER 45 2.254 9.179 -16.549 358 HB3 SER 45 3HB SER 45 3.016 7.593 -16.562 359 HG SER 45 HG SER 45 0.407 8.085 -15.561 360 H THR 46 H THR 46 0.381 7.808 -13.658 361 HA THR 46 HA THR 46 1.090 5.756 -11.791 362 HB THR 46 HB THR 46 -1.035 7.067 -11.729 363 HG1 THR 46 HG1 THR 46 -1.911 5.446 -10.733 364 HG21 THR 46 3HG2 THR 46 -1.894 5.275 -14.015 365 HG22 THR 46 1HG2 THR 46 -1.398 6.954 -14.222 366 HG23 THR 46 2HG2 THR 46 -2.828 6.568 -13.264 367 H ASP 47 H ASP 47 0.428 5.731 -15.221 368 HA ASP 47 HA ASP 47 -0.134 2.926 -15.491 369 HB2 ASP 47 2HB ASP 47 0.412 3.290 -17.884 370 HB3 ASP 47 3HB ASP 47 -0.674 4.533 -17.263 371 H ASP 48 H ASP 48 2.781 4.692 -14.937 372 HA ASP 48 HA ASP 48 4.571 2.656 -16.018 373 HB2 ASP 48 2HB ASP 48 5.019 5.051 -14.220 374 HB3 ASP 48 3HB ASP 48 6.318 4.011 -14.801 375 H ILE 49 H ILE 49 2.630 2.782 -13.283 376 HA ILE 49 HA ILE 49 4.547 1.260 -11.581 377 HB ILE 49 HB ILE 49 1.754 2.281 -10.984 378 HG12 ILE 49 2HG1 ILE 49 4.447 3.282 -10.018 379 HG13 ILE 49 3HG1 ILE 49 3.563 4.009 -11.358 380 HG21 ILE 49 1HG2 ILE 49 3.879 0.950 -9.278 381 HG22 ILE 49 2HG2 ILE 49 2.248 0.357 -9.601 382 HG23 ILE 49 3HG2 ILE 49 2.485 1.798 -8.611 383 HD11 ILE 49 3HD1 ILE 49 1.608 4.318 -9.791 384 HD12 ILE 49 1HD1 ILE 49 3.032 5.272 -9.374 385 HD13 ILE 49 2HD1 ILE 49 2.662 3.799 -8.474 386 H THR 50 H THR 50 4.566 -0.881 -11.793 387 HA THR 50 HA THR 50 2.069 -2.307 -12.666 388 HB THR 50 HB THR 50 3.591 -2.898 -14.318 389 HG1 THR 50 HG1 THR 50 3.809 -4.928 -13.883 390 HG21 THR 50 3HG2 THR 50 6.080 -3.203 -13.744 391 HG22 THR 50 1HG2 THR 50 5.694 -2.441 -12.200 392 HG23 THR 50 2HG2 THR 50 5.448 -1.556 -13.706 393 H GLY 51 H GLY 51 3.873 -1.598 -9.992 394 HA2 GLY 51 2HA GLY 51 2.635 -3.669 -8.411 395 HA3 GLY 51 3HA GLY 51 4.353 -3.995 -8.640 396 H MET 52 H MET 52 3.840 -3.626 -6.099 397 HA MET 52 HA MET 52 4.693 -0.812 -5.517 398 HB2 MET 52 2HB MET 52 2.305 -1.072 -4.944 399 HB3 MET 52 3HB MET 52 2.700 -2.463 -3.935 400 HG2 MET 52 2HG MET 52 4.061 -1.070 -2.468 401 HG3 MET 52 3HG MET 52 3.818 0.323 -3.521 402 HE1 MET 52 3HE MET 52 2.405 -2.404 -1.525 403 HE2 MET 52 1HE MET 52 0.853 -2.379 -2.370 404 HE3 MET 52 2HE MET 52 0.967 -1.792 -0.714 405 H TYR 53 H TYR 53 6.287 -0.625 -3.980 406 HA TYR 53 HA TYR 53 7.407 -3.185 -2.891 407 HB2 TYR 53 2HB TYR 53 8.731 -0.536 -3.536 408 HB3 TYR 53 3HB TYR 53 9.544 -1.898 -2.761 409 HD1 TYR 53 HD1 TYR 53 7.891 -0.732 -5.863 410 HD2 TYR 53 HD2 TYR 53 10.149 -3.874 -4.001 411 HE1 TYR 53 HE1 TYR 53 8.280 -1.767 -8.083 412 HE2 TYR 53 HE2 TYR 53 10.537 -4.911 -6.220 413 HH TYR 53 HH TYR 53 9.948 -4.884 -8.387 414 H LEU 54 H LEU 54 7.027 -3.441 -0.776 415 HA LEU 54 HA LEU 54 6.567 -1.043 0.944 416 HB2 LEU 54 2HB LEU 54 6.047 -3.984 1.497 417 HB3 LEU 54 3HB LEU 54 5.546 -2.626 2.507 418 HG LEU 54 HG LEU 54 4.657 -3.116 -0.352 419 HD11 LEU 54 1HD1 LEU 54 2.994 -3.240 2.173 420 HD12 LEU 54 2HD1 LEU 54 3.750 -4.662 1.457 421 HD13 LEU 54 3HD1 LEU 54 2.538 -3.757 0.550 422 HD21 LEU 54 3HD2 LEU 54 4.207 -0.875 1.612 423 HD22 LEU 54 1HD2 LEU 54 2.941 -1.271 0.452 424 HD23 LEU 54 2HD2 LEU 54 4.533 -0.790 -0.118 425 H ILE 55 H ILE 55 8.222 -0.388 2.187 426 HA ILE 55 HA ILE 55 10.452 -2.305 2.753 427 HB ILE 55 HB ILE 55 10.312 0.722 2.696 428 HG12 ILE 55 2HG1 ILE 55 12.105 0.350 0.947 429 HG13 ILE 55 3HG1 ILE 55 11.784 -1.376 1.064 430 HG21 ILE 55 1HG2 ILE 55 12.824 0.508 3.143 431 HG22 ILE 55 2HG2 ILE 55 12.490 -1.143 3.663 432 HG23 ILE 55 3HG2 ILE 55 11.766 0.216 4.522 433 HD11 ILE 55 3HD1 ILE 55 9.407 0.373 0.592 434 HD12 ILE 55 1HD1 ILE 55 9.793 -1.217 -0.064 435 HD13 ILE 55 2HD1 ILE 55 10.553 0.220 -0.733 436 H ASP 56 H ASP 56 10.477 -3.130 4.757 437 HA ASP 56 HA ASP 56 8.987 -1.735 6.936 438 HB2 ASP 56 2HB ASP 56 10.082 -4.561 6.755 439 HB3 ASP 56 3HB ASP 56 9.110 -3.919 8.079 440 H ASP 57 H ASP 57 10.435 -3.162 9.018 441 HA ASP 57 HA ASP 57 12.605 -1.286 9.423 442 HB2 ASP 57 2HB ASP 57 12.993 -2.603 11.507 443 HB3 ASP 57 3HB ASP 57 11.311 -2.112 11.319 444 H GLU 58 H GLU 58 12.392 -4.098 7.621 445 HA GLU 58 HA GLU 58 15.199 -4.166 7.033 446 HB2 GLU 58 2HB GLU 58 15.269 -5.262 9.292 447 HB3 GLU 58 3HB GLU 58 14.172 -6.504 8.685 448 HG2 GLU 58 2HG GLU 58 15.803 -7.131 6.959 449 HG3 GLU 58 3HG GLU 58 16.898 -5.867 7.519 450 H GLY 59 H GLY 59 12.411 -6.388 7.312 451 HA2 GLY 59 2HA GLY 59 12.985 -7.647 4.761 452 HA3 GLY 59 3HA GLY 59 11.544 -7.910 5.741 453 H GLU 60 H GLU 60 11.296 -7.702 2.997 454 HA GLU 60 HA GLU 60 9.659 -5.240 2.770 455 HB2 GLU 60 2HB GLU 60 10.590 -4.720 0.546 456 HB3 GLU 60 3HB GLU 60 11.839 -4.630 1.788 457 HG2 GLU 60 2HG GLU 60 12.553 -6.937 1.204 458 HG3 GLU 60 3HG GLU 60 11.347 -6.966 -0.084 459 H ILE 61 H ILE 61 7.913 -5.487 1.334 460 HA ILE 61 HA ILE 61 7.511 -8.258 0.246 461 HB ILE 61 HB ILE 61 5.502 -6.315 1.415 462 HG12 ILE 61 2HG1 ILE 61 6.273 -9.119 2.268 463 HG13 ILE 61 3HG1 ILE 61 6.973 -7.663 2.976 464 HG21 ILE 61 1HG2 ILE 61 4.412 -7.396 -0.415 465 HG22 ILE 61 2HG2 ILE 61 3.936 -8.302 1.020 466 HG23 ILE 61 3HG2 ILE 61 5.180 -8.942 -0.054 467 HD11 ILE 61 3HD1 ILE 61 3.995 -8.184 2.873 468 HD12 ILE 61 1HD1 ILE 61 4.833 -6.934 3.791 469 HD13 ILE 61 2HD1 ILE 61 5.002 -8.629 4.247 470 H ILE 62 H ILE 62 7.109 -8.386 -1.886 471 HA ILE 62 HA ILE 62 6.568 -5.848 -3.395 472 HB ILE 62 HB ILE 62 7.951 -8.402 -4.277 473 HG12 ILE 62 2HG1 ILE 62 9.806 -6.462 -4.614 474 HG13 ILE 62 3HG1 ILE 62 8.911 -5.723 -3.292 475 HG21 ILE 62 1HG2 ILE 62 6.826 -7.543 -6.182 476 HG22 ILE 62 2HG2 ILE 62 8.467 -6.910 -6.315 477 HG23 ILE 62 3HG2 ILE 62 7.166 -5.871 -5.734 478 HD11 ILE 62 3HD1 ILE 62 9.252 -7.731 -1.915 479 HD12 ILE 62 1HD1 ILE 62 10.801 -7.127 -2.490 480 HD13 ILE 62 2HD1 ILE 62 10.064 -8.532 -3.254 481 H THR 63 H THR 63 4.666 -5.759 -4.453 482 HA THR 63 HA THR 63 3.229 -8.324 -5.047 483 HB THR 63 HB THR 63 2.081 -7.455 -3.164 484 HG1 THR 63 HG1 THR 63 0.118 -7.014 -4.056 485 HG21 THR 63 3HG2 THR 63 2.294 -4.756 -4.524 486 HG22 THR 63 1HG2 THR 63 3.098 -5.255 -3.036 487 HG23 THR 63 2HG2 THR 63 1.345 -5.063 -3.070 488 H ARG 64 H ARG 64 2.461 -8.461 -7.073 489 HA ARG 64 HA ARG 64 2.871 -6.137 -8.887 490 HB2 ARG 64 2HB ARG 64 3.636 -8.611 -9.313 491 HB3 ARG 64 3HB ARG 64 1.949 -8.892 -9.723 492 HG2 ARG 64 2HG ARG 64 2.765 -8.311 -11.816 493 HG3 ARG 64 3HG ARG 64 2.297 -6.716 -11.235 494 HD2 ARG 64 2HD ARG 64 4.547 -6.579 -12.154 495 HD3 ARG 64 3HD ARG 64 4.647 -6.398 -10.401 496 HE ARG 64 HE ARG 64 5.759 -8.486 -10.284 497 HH11 ARG 64 1HH2 ARG 64 4.351 -7.908 -13.381 498 HH12 ARG 64 2HH2 ARG 64 5.143 -9.253 -14.135 499 HH21 ARG 64 1HH1 ARG 64 6.795 -10.238 -11.253 500 HH22 ARG 64 2HH1 ARG 64 6.526 -10.570 -12.931 501 H GLU 65 H GLU 65 0.461 -7.406 -6.977 502 HA GLU 65 HA GLU 65 -1.769 -6.991 -8.850 503 HB2 GLU 65 2HB GLU 65 -1.677 -7.584 -5.874 504 HB3 GLU 65 3HB GLU 65 -3.163 -7.459 -6.814 505 HG2 GLU 65 2HG GLU 65 -0.910 -9.396 -7.421 506 HG3 GLU 65 3HG GLU 65 -2.381 -9.820 -6.547 507 H VAL 66 H VAL 66 -1.061 -4.718 -9.283 508 HA VAL 66 HA VAL 66 -2.121 -2.851 -7.190 509 HB VAL 66 HB VAL 66 0.241 -2.504 -9.049 510 HG11 VAL 66 1HG1 VAL 66 -0.888 -0.402 -9.111 511 HG12 VAL 66 2HG1 VAL 66 0.358 -0.216 -7.877 512 HG13 VAL 66 3HG1 VAL 66 -1.317 -0.498 -7.403 513 HG21 VAL 66 3HG2 VAL 66 1.414 -2.082 -6.893 514 HG22 VAL 66 1HG2 VAL 66 0.713 -3.698 -6.960 515 HG23 VAL 66 2HG2 VAL 66 -0.085 -2.428 -6.033 516 H LYS 67 H LYS 67 -3.688 -1.499 -7.871 517 HA LYS 67 HA LYS 67 -4.138 -1.207 -10.823 518 HB2 LYS 67 2HB LYS 67 -6.182 -1.668 -8.630 519 HB3 LYS 67 3HB LYS 67 -6.594 -1.150 -10.268 520 HG2 LYS 67 2HG LYS 67 -5.489 -3.167 -11.177 521 HG3 LYS 67 3HG LYS 67 -5.105 -3.690 -9.537 522 HD2 LYS 67 2HD LYS 67 -7.489 -3.806 -8.988 523 HD3 LYS 67 3HD LYS 67 -7.905 -3.211 -10.595 524 HE2 LYS 67 2HE LYS 67 -8.126 -5.648 -10.538 525 HE3 LYS 67 3HE LYS 67 -6.787 -5.196 -11.593 526 HZ1 LYS 67 3HZ LYS 67 -5.297 -6.124 -10.232 527 HZ2 LYS 67 1HZ LYS 67 -6.616 -6.973 -9.587 528 HZ3 LYS 67 2HZ LYS 67 -6.061 -5.561 -8.823 529 H GLY 68 H GLY 68 -4.625 0.845 -11.493 530 HA2 GLY 68 2HA GLY 68 -4.206 2.995 -9.515 531 HA3 GLY 68 3HA GLY 68 -4.242 3.185 -11.266 532 H LYS 69 H LYS 69 -5.738 4.536 -8.976 533 HA LYS 69 HA LYS 69 -8.544 3.983 -9.849 534 HB2 LYS 69 2HB LYS 69 -7.435 5.440 -7.435 535 HB3 LYS 69 3HB LYS 69 -9.148 5.312 -7.814 536 HG2 LYS 69 2HG LYS 69 -7.348 2.899 -7.491 537 HG3 LYS 69 3HG LYS 69 -8.260 3.591 -6.153 538 HD2 LYS 69 2HD LYS 69 -10.337 3.326 -7.677 539 HD3 LYS 69 3HD LYS 69 -9.323 2.274 -8.661 540 HE2 LYS 69 2HE LYS 69 -8.918 0.803 -6.781 541 HE3 LYS 69 3HE LYS 69 -9.799 1.885 -5.701 542 HZ1 LYS 69 3HZ LYS 69 -11.598 1.513 -7.624 543 HZ2 LYS 69 1HZ LYS 69 -11.515 0.557 -6.225 544 HZ3 LYS 69 2HZ LYS 69 -10.805 0.012 -7.671 545 H PHE 70 H PHE 70 -9.090 5.219 -11.504 546 HA PHE 70 HA PHE 70 -7.987 7.978 -11.737 547 HB2 PHE 70 2HB PHE 70 -9.542 6.315 -13.742 548 HB3 PHE 70 3HB PHE 70 -8.722 7.846 -14.056 549 HD1 PHE 70 HD2 PHE 70 -8.090 4.367 -12.822 550 HD2 PHE 70 HD1 PHE 70 -6.463 7.857 -14.723 551 HE1 PHE 70 HE2 PHE 70 -5.979 3.145 -13.254 552 HE2 PHE 70 HE1 PHE 70 -4.347 6.631 -15.155 553 HZ PHE 70 HZ PHE 70 -4.107 4.277 -14.419 554 H ILE 71 H ILE 71 -9.271 9.652 -11.216 555 HA ILE 71 HA ILE 71 -12.234 9.211 -11.041 556 HB ILE 71 HB ILE 71 -10.424 11.151 -9.575 557 HG12 ILE 71 2HG1 ILE 71 -12.168 8.882 -8.556 558 HG13 ILE 71 3HG1 ILE 71 -10.434 8.737 -8.844 559 HG21 ILE 71 1HG2 ILE 71 -13.434 10.835 -9.645 560 HG22 ILE 71 2HG2 ILE 71 -12.493 12.286 -9.990 561 HG23 ILE 71 3HG2 ILE 71 -12.592 11.674 -8.341 562 HD11 ILE 71 3HD1 ILE 71 -11.858 10.442 -6.802 563 HD12 ILE 71 1HD1 ILE 71 -10.196 10.786 -7.284 564 HD13 ILE 71 2HD1 ILE 71 -10.595 9.239 -6.538 565 H ASN 72 H ASN 72 -13.338 10.178 -12.627 566 HA ASN 72 HA ASN 72 -13.902 11.632 -14.364 567 HB2 ASN 72 2HB ASN 72 -12.210 13.636 -12.840 568 HB3 ASN 72 3HB ASN 72 -13.503 13.988 -13.986 569 HD21 ASN 72 1HD2 ASN 72 -15.068 11.588 -12.819 570 HD22 ASN 72 2HD2 ASN 72 -15.734 12.198 -11.382 571 H GLY 73 H GLY 73 -11.519 9.969 -14.624 572 HA2 GLY 73 2HA GLY 73 -9.842 9.670 -16.234 573 HA3 GLY 73 3HA GLY 73 -10.426 11.141 -17.012 574 H ARG 74 H ARG 74 -9.469 11.215 -13.652 575 HA ARG 74 HA ARG 74 -6.905 12.554 -14.422 576 HB2 ARG 74 2HB ARG 74 -8.814 14.130 -13.753 577 HB3 ARG 74 3HB ARG 74 -8.604 13.491 -12.120 578 HG2 ARG 74 2HG ARG 74 -6.142 14.061 -12.327 579 HG3 ARG 74 3HG ARG 74 -6.539 14.918 -13.816 580 HD2 ARG 74 2HD ARG 74 -6.523 16.524 -12.006 581 HD3 ARG 74 3HD ARG 74 -8.197 16.281 -12.504 582 HE ARG 74 HE ARG 74 -7.491 14.471 -10.370 583 HH11 ARG 74 1HH2 ARG 74 -8.291 17.735 -11.147 584 HH12 ARG 74 2HH2 ARG 74 -8.931 18.089 -9.576 585 HH21 ARG 74 1HH1 ARG 74 -8.320 14.916 -8.321 586 HH22 ARG 74 2HH1 ARG 74 -8.947 16.493 -7.976 587 HA PRO 75 HA PRO 75 -5.726 9.051 -11.646 588 HB2 PRO 75 2HB PRO 75 -3.094 10.419 -12.143 589 HB3 PRO 75 3HB PRO 75 -3.486 8.687 -12.171 590 HG2 PRO 75 2HG PRO 75 -3.166 10.079 -14.425 591 HG3 PRO 75 3HG PRO 75 -4.379 8.796 -14.296 592 HD2 PRO 75 2HD PRO 75 -4.768 11.750 -14.349 593 HD3 PRO 75 3HD PRO 75 -5.869 10.459 -14.894 594 H THR 76 H THR 76 -6.689 9.930 -9.736 595 HA THR 76 HA THR 76 -5.029 11.930 -8.228 596 HB THR 76 HB THR 76 -7.926 11.213 -7.733 597 HG1 THR 76 HG1 THR 76 -7.991 13.483 -8.776 598 HG21 THR 76 3HG2 THR 76 -7.875 13.461 -6.616 599 HG22 THR 76 1HG2 THR 76 -6.134 13.504 -6.889 600 HG23 THR 76 2HG2 THR 76 -6.833 12.264 -5.846 601 H ALA 77 H ALA 77 -6.116 8.631 -8.280 602 HA ALA 77 HA ALA 77 -4.802 8.248 -5.644 603 HB1 ALA 77 3HB ALA 77 -6.787 6.779 -4.944 604 HB2 ALA 77 1HB ALA 77 -7.695 7.601 -6.214 605 HB3 ALA 77 2HB ALA 77 -7.024 8.524 -4.870 606 H ILE 78 H ILE 78 -4.293 6.036 -5.187 607 HA ILE 78 HA ILE 78 -4.452 4.173 -7.528 608 HB ILE 78 HB ILE 78 -1.994 4.816 -5.872 609 HG12 ILE 78 2HG1 ILE 78 -2.430 4.990 -8.863 610 HG13 ILE 78 3HG1 ILE 78 -2.656 6.362 -7.779 611 HG21 ILE 78 1HG2 ILE 78 -0.913 3.136 -7.440 612 HG22 ILE 78 2HG2 ILE 78 -2.537 2.652 -7.922 613 HG23 ILE 78 3HG2 ILE 78 -2.012 2.437 -6.252 614 HD11 ILE 78 3HD1 ILE 78 -0.293 5.992 -6.962 615 HD12 ILE 78 1HD1 ILE 78 -0.408 6.490 -8.649 616 HD13 ILE 78 2HD1 ILE 78 -0.104 4.800 -8.248 617 H GLU 79 H GLU 79 -4.902 2.060 -6.922 618 HA GLU 79 HA GLU 79 -5.053 1.514 -3.965 619 HB2 GLU 79 2HB GLU 79 -7.249 1.657 -5.221 620 HB3 GLU 79 3HB GLU 79 -6.732 0.242 -6.138 621 HG2 GLU 79 2HG GLU 79 -8.064 -0.573 -4.312 622 HG3 GLU 79 3HG GLU 79 -6.388 -0.938 -3.906 623 H ALA 80 H ALA 80 -4.341 -0.491 -3.240 624 HA ALA 80 HA ALA 80 -3.159 -2.366 -5.230 625 HB1 ALA 80 3HB ALA 80 -1.328 -0.889 -4.427 626 HB2 ALA 80 1HB ALA 80 -1.109 -2.551 -3.881 627 HB3 ALA 80 2HB ALA 80 -1.723 -1.330 -2.766 628 H THR 81 H THR 81 -3.296 -4.520 -4.577 629 HA THR 81 HA THR 81 -4.529 -5.030 -1.888 630 HB THR 81 HB THR 81 -5.155 -6.490 -4.465 631 HG1 THR 81 HG1 THR 81 -6.642 -5.051 -4.744 632 HG21 THR 81 3HG2 THR 81 -6.999 -7.432 -3.070 633 HG22 THR 81 1HG2 THR 81 -6.317 -6.607 -1.669 634 HG23 THR 81 2HG2 THR 81 -5.400 -7.876 -2.476 635 H VAL 82 H VAL 82 -3.467 -6.515 -0.688 636 HA VAL 82 HA VAL 82 -1.399 -8.214 -2.058 637 HB VAL 82 HB VAL 82 -1.460 -6.965 0.700 638 HG11 VAL 82 1HG1 VAL 82 -0.613 -9.134 1.138 639 HG12 VAL 82 2HG1 VAL 82 0.833 -8.165 0.870 640 HG13 VAL 82 3HG1 VAL 82 0.229 -9.213 -0.410 641 HG21 VAL 82 3HG2 VAL 82 -0.647 -5.542 -1.127 642 HG22 VAL 82 1HG2 VAL 82 0.460 -6.812 -1.640 643 HG23 VAL 82 2HG2 VAL 82 0.699 -6.014 -0.089 644 H ILE 83 H ILE 83 -1.680 -10.363 -1.902 645 HA ILE 83 HA ILE 83 -3.908 -11.387 -0.230 646 HB ILE 83 HB ILE 83 -2.257 -12.570 -2.474 647 HG12 ILE 83 2HG1 ILE 83 -4.499 -12.665 -3.566 648 HG13 ILE 83 3HG1 ILE 83 -5.196 -11.883 -2.148 649 HG21 ILE 83 1HG2 ILE 83 -2.625 -14.433 -1.069 650 HG22 ILE 83 2HG2 ILE 83 -3.953 -14.501 -2.224 651 HG23 ILE 83 3HG2 ILE 83 -4.230 -13.878 -0.598 652 HD11 ILE 83 3HD1 ILE 83 -4.167 -9.847 -2.598 653 HD12 ILE 83 1HD1 ILE 83 -4.484 -10.431 -4.227 654 HD13 ILE 83 2HD1 ILE 83 -2.868 -10.581 -3.539 655 H LEU 84 H LEU 84 -3.477 -12.277 1.708 656 HA LEU 84 HA LEU 84 -0.684 -13.157 2.310 657 HB2 LEU 84 2HB LEU 84 -2.962 -12.674 4.248 658 HB3 LEU 84 3HB LEU 84 -1.254 -12.882 4.628 659 HG LEU 84 HG LEU 84 -1.070 -10.782 2.889 660 HD11 LEU 84 1HD1 LEU 84 -3.650 -10.823 2.788 661 HD12 LEU 84 2HD1 LEU 84 -2.871 -9.269 3.065 662 HD13 LEU 84 3HD1 LEU 84 -3.597 -10.145 4.413 663 HD21 LEU 84 3HD2 LEU 84 -1.606 -10.733 5.867 664 HD22 LEU 84 1HD2 LEU 84 -1.114 -9.304 4.958 665 HD23 LEU 84 2HD2 LEU 84 -0.047 -10.705 5.047 666 H ASN 85 H ASN 85 -0.453 -15.280 1.914 667 HA ASN 85 HA ASN 85 -2.738 -17.137 2.341 668 HB2 ASN 85 2HB ASN 85 0.005 -17.495 1.091 669 HB3 ASN 85 3HB ASN 85 -1.184 -18.789 1.255 670 HD21 ASN 85 1HD2 ASN 85 -3.237 -16.367 0.808 671 HD22 ASN 85 2HD2 ASN 85 -3.289 -16.258 -0.885 672 H SER 86 H SER 86 -0.273 -15.854 4.172 673 HA SER 86 HA SER 86 -0.150 -18.319 5.885 674 HB2 SER 86 2HB SER 86 2.185 -16.444 5.880 675 HB3 SER 86 3HB SER 86 2.143 -18.193 6.093 676 HG SER 86 HG SER 86 1.447 -17.008 3.639 677 H GLN 87 H GLN 87 0.005 -17.931 8.138 678 HA GLN 87 HA GLN 87 -1.433 -15.567 9.013 679 HB2 GLN 87 2HB GLN 87 -1.193 -18.145 9.941 680 HB3 GLN 87 3HB GLN 87 -0.162 -17.294 11.085 681 HG2 GLN 87 2HG GLN 87 -2.338 -17.259 12.040 682 HG3 GLN 87 3HG GLN 87 -2.094 -15.641 11.381 683 HE21 GLN 87 1HE2 GLN 87 -3.059 -18.764 9.832 684 HE22 GLN 87 2HE2 GLN 87 -4.464 -18.137 9.113 685 HA PRO 88 HA PRO 88 2.955 -14.834 11.179 686 HB2 PRO 88 2HB PRO 88 4.619 -15.627 8.819 687 HB3 PRO 88 3HB PRO 88 4.935 -15.861 10.549 688 HG2 PRO 88 2HG PRO 88 4.189 -17.889 8.990 689 HG3 PRO 88 3HG PRO 88 3.624 -17.761 10.667 690 HD2 PRO 88 2HD PRO 88 2.144 -17.176 8.134 691 HD3 PRO 88 3HD PRO 88 1.539 -17.880 9.642 692 H GLU 89 H GLU 89 2.219 -14.437 7.761 693 HA GLU 89 HA GLU 89 3.679 -12.013 7.317 694 HB2 GLU 89 2HB GLU 89 1.187 -13.137 6.010 695 HB3 GLU 89 3HB GLU 89 2.048 -11.719 5.416 696 HG2 GLU 89 2HG GLU 89 3.336 -14.433 5.805 697 HG3 GLU 89 3HG GLU 89 2.704 -13.856 4.264 698 H TRP 90 H TRP 90 0.356 -12.637 8.427 699 HA TRP 90 HA TRP 90 -0.585 -9.966 8.437 700 HB2 TRP 90 2HB TRP 90 -1.228 -12.413 10.080 701 HB3 TRP 90 3HB TRP 90 -1.996 -10.873 10.460 702 HD1 TRP 90 HD1 TRP 90 -1.541 -13.260 7.451 703 HE1 TRP 90 HE1 TRP 90 -3.606 -13.016 5.924 704 HE3 TRP 90 HE3 TRP 90 -4.010 -9.525 9.902 705 HZ2 TRP 90 HZ2 TRP 90 -5.994 -11.435 5.769 706 HZ3 TRP 90 HZ3 TRP 90 -6.174 -8.675 9.050 707 HH2 TRP 90 HH2 TRP 90 -7.168 -9.623 6.987 708 H ASP 91 H ASP 91 1.400 -11.703 10.795 709 HA ASP 91 HA ASP 91 1.317 -9.747 12.874 710 HB2 ASP 91 2HB ASP 91 2.203 -12.016 13.200 711 HB3 ASP 91 3HB ASP 91 3.535 -11.664 12.099 712 H ARG 92 H ARG 92 3.463 -10.115 10.056 713 HA ARG 92 HA ARG 92 5.234 -7.951 10.694 714 HB2 ARG 92 2HB ARG 92 5.688 -9.704 8.979 715 HB3 ARG 92 3HB ARG 92 4.433 -8.997 7.962 716 HG2 ARG 92 2HG ARG 92 5.660 -6.877 7.872 717 HG3 ARG 92 3HG ARG 92 6.901 -7.532 8.942 718 HD2 ARG 92 2HD ARG 92 6.188 -8.740 6.258 719 HD3 ARG 92 3HD ARG 92 7.520 -7.612 6.501 720 HE ARG 92 HE ARG 92 7.822 -9.729 8.371 721 HH11 ARG 92 1HH2 ARG 92 7.855 -9.123 4.969 722 HH12 ARG 92 2HH2 ARG 92 8.975 -10.400 4.625 723 HH21 ARG 92 1HH1 ARG 92 9.282 -11.389 7.930 724 HH22 ARG 92 2HH1 ARG 92 9.781 -11.681 6.298 725 H PHE 93 H PHE 93 2.268 -8.102 8.728 726 HA PHE 93 HA PHE 93 2.280 -5.338 7.951 727 HB2 PHE 93 2HB PHE 93 0.216 -7.526 8.062 728 HB3 PHE 93 3HB PHE 93 -0.312 -5.873 7.748 729 HD1 PHE 93 HD1 PHE 93 0.669 -4.610 5.813 730 HD2 PHE 93 HD2 PHE 93 1.296 -8.821 6.360 731 HE1 PHE 93 HE1 PHE 93 1.344 -4.815 3.440 732 HE2 PHE 93 HE2 PHE 93 1.977 -9.029 3.985 733 HZ PHE 93 HZ PHE 93 2.001 -7.021 2.526 734 H MET 94 H MET 94 0.778 -7.058 10.680 735 HA MET 94 HA MET 94 -0.639 -4.833 11.755 736 HB2 MET 94 2HB MET 94 -0.972 -7.180 12.480 737 HB3 MET 94 3HB MET 94 0.627 -7.167 13.222 738 HG2 MET 94 2HG MET 94 -1.384 -5.059 13.989 739 HG3 MET 94 3HG MET 94 -1.475 -6.666 14.705 740 HE1 MET 94 3HE MET 94 0.382 -5.850 17.740 741 HE2 MET 94 1HE MET 94 -0.576 -7.045 16.856 742 HE3 MET 94 2HE MET 94 -1.176 -5.401 17.055 743 H ARG 95 H ARG 95 2.648 -6.046 12.442 744 HA ARG 95 HA ARG 95 3.275 -3.980 14.357 745 HB2 ARG 95 2HB ARG 95 4.494 -6.148 14.200 746 HB3 ARG 95 3HB ARG 95 5.152 -5.641 12.644 747 HG2 ARG 95 2HG ARG 95 6.273 -3.746 13.685 748 HG3 ARG 95 3HG ARG 95 5.546 -4.129 15.243 749 HD2 ARG 95 2HD ARG 95 7.828 -4.987 15.206 750 HD3 ARG 95 3HD ARG 95 6.710 -6.349 15.184 751 HE ARG 95 HE ARG 95 7.368 -5.610 12.492 752 HH11 ARG 95 1HH2 ARG 95 8.671 -7.061 15.348 753 HH12 ARG 95 2HH2 ARG 95 9.788 -8.061 14.482 754 HH21 ARG 95 1HH1 ARG 95 8.821 -6.909 11.361 755 HH22 ARG 95 2HH1 ARG 95 9.873 -7.977 12.230 756 H PHE 96 H PHE 96 3.899 -4.371 10.880 757 HA PHE 96 HA PHE 96 5.414 -1.980 10.504 758 HB2 PHE 96 2HB PHE 96 5.310 -3.750 8.816 759 HB3 PHE 96 3HB PHE 96 3.582 -3.476 8.601 760 HD1 PHE 96 HD1 PHE 96 6.912 -1.784 8.335 761 HD2 PHE 96 HD2 PHE 96 2.807 -1.861 7.066 762 HE1 PHE 96 HE1 PHE 96 7.403 -0.046 6.634 763 HE2 PHE 96 HE2 PHE 96 3.299 -0.119 5.369 764 HZ PHE 96 HZ PHE 96 5.597 0.787 5.154 765 H MET 97 H MET 97 1.920 -2.614 10.198 766 HA MET 97 HA MET 97 1.177 0.045 9.445 767 HB2 MET 97 2HB MET 97 -0.302 -1.940 9.213 768 HB3 MET 97 3HB MET 97 -0.441 -2.018 10.969 769 HG2 MET 97 2HG MET 97 -1.458 0.205 11.022 770 HG3 MET 97 3HG MET 97 -1.251 0.365 9.279 771 HE1 MET 97 3HE MET 97 -2.562 -3.026 11.287 772 HE2 MET 97 1HE MET 97 -4.098 -2.240 11.672 773 HE3 MET 97 2HE MET 97 -2.579 -1.497 12.163 774 H GLU 98 H GLU 98 1.498 -1.535 12.618 775 HA GLU 98 HA GLU 98 0.454 0.647 14.157 776 HB2 GLU 98 2HB GLU 98 0.795 -1.667 15.036 777 HB3 GLU 98 3HB GLU 98 2.538 -1.398 14.984 778 HG2 GLU 98 2HG GLU 98 2.326 0.478 16.545 779 HG3 GLU 98 3HG GLU 98 0.572 0.286 16.567 780 H ARG 99 H ARG 99 3.834 -0.261 13.371 781 HA ARG 99 HA ARG 99 5.000 2.040 14.637 782 HB2 ARG 99 2HB ARG 99 5.989 0.207 12.436 783 HB3 ARG 99 3HB ARG 99 6.978 1.489 13.137 784 HG2 ARG 99 2HG ARG 99 6.683 0.473 15.380 785 HG3 ARG 99 3HG ARG 99 5.728 -0.821 14.657 786 HD2 ARG 99 2HD ARG 99 8.588 -0.189 13.871 787 HD3 ARG 99 3HD ARG 99 8.135 -1.442 15.026 788 HE ARG 99 HE ARG 99 6.662 -1.878 12.630 789 HH11 ARG 99 1HH2 ARG 99 9.887 -1.916 13.869 790 HH12 ARG 99 2HH2 ARG 99 10.437 -3.123 12.755 791 HH21 ARG 99 1HH1 ARG 99 7.370 -3.449 11.175 792 HH22 ARG 99 2HH1 ARG 99 9.015 -3.991 11.231 793 H TYR 100 H TYR 100 3.996 1.375 11.295 794 HA TYR 100 HA TYR 100 4.895 3.847 10.172 795 HB2 TYR 100 2HB TYR 100 4.207 1.841 8.848 796 HB3 TYR 100 3HB TYR 100 2.533 2.153 9.305 797 HD1 TYR 100 HD2 TYR 100 5.493 3.676 7.630 798 HD2 TYR 100 HD1 TYR 100 1.227 3.748 8.123 799 HE1 TYR 100 HE2 TYR 100 5.309 5.321 5.787 800 HE2 TYR 100 HE1 TYR 100 1.043 5.395 6.277 801 HH TYR 100 HH TYR 100 3.030 7.259 5.279 802 H GLY 101 H GLY 101 1.809 2.874 11.642 803 HA2 GLY 101 2HA GLY 101 0.381 5.276 11.104 804 HA3 GLY 101 3HA GLY 101 0.027 4.172 12.434 805 H ALA 102 H ALA 102 2.591 4.384 13.707 806 HA ALA 102 HA ALA 102 2.148 6.669 15.374 807 HB1 ALA 102 3HB ALA 102 4.754 5.170 15.021 808 HB2 ALA 102 1HB ALA 102 3.405 4.541 15.967 809 HB3 ALA 102 2HB ALA 102 4.200 6.038 16.454 810 H GLU 103 H GLU 103 4.368 6.071 12.671 811 HA GLU 103 HA GLU 103 5.749 8.592 12.892 812 HB2 GLU 103 2HB GLU 103 5.401 6.724 10.524 813 HB3 GLU 103 3HB GLU 103 6.549 8.060 10.599 814 HG2 GLU 103 2HG GLU 103 6.496 5.726 12.535 815 HG3 GLU 103 3HG GLU 103 7.597 5.869 11.164 816 H ASN 104 H ASN 104 2.907 7.490 11.082 817 HA ASN 104 HA ASN 104 2.469 10.305 10.122 818 HB2 ASN 104 2HB ASN 104 1.362 7.718 8.973 819 HB3 ASN 104 3HB ASN 104 1.184 9.338 8.299 820 HD21 ASN 104 1HD2 ASN 104 4.115 9.863 9.239 821 HD22 ASN 104 2HD2 ASN 104 5.049 9.142 8.017 822 H GLY 105 H GLY 105 -0.290 9.239 9.327 823 HA2 GLY 105 2HA GLY 105 -1.617 8.807 11.910 824 HA3 GLY 105 3HA GLY 105 -1.938 10.376 11.171 825 H LEU 106 H LEU 106 -1.496 7.209 9.622 826 HA LEU 106 HA LEU 106 -2.769 6.255 7.896 827 HB2 LEU 106 2HB LEU 106 -4.599 6.605 10.261 828 HB3 LEU 106 3HB LEU 106 -5.144 5.770 8.808 829 HG LEU 106 HG LEU 106 -4.175 4.259 10.586 830 HD11 LEU 106 1HD1 LEU 106 -2.333 4.021 8.231 831 HD12 LEU 106 2HD1 LEU 106 -4.068 3.916 7.936 832 HD13 LEU 106 3HD1 LEU 106 -3.297 2.788 9.040 833 HD21 LEU 106 3HD2 LEU 106 -1.509 5.390 9.762 834 HD22 LEU 106 1HD2 LEU 106 -1.861 4.285 11.086 835 HD23 LEU 106 2HD2 LEU 106 -2.372 5.965 11.192 836 H GLY 107 H GLY 107 -2.785 7.771 6.249 837 HA2 GLY 107 2HA GLY 107 -4.026 8.942 4.615 838 HA3 GLY 107 3HA GLY 107 -5.392 8.996 5.726 839 H PHE 108 H PHE 108 -5.412 11.289 4.820 840 HA PHE 108 HA PHE 108 -3.350 13.086 5.943 841 HB2 PHE 108 2HB PHE 108 -4.248 13.430 3.647 842 HB3 PHE 108 3HB PHE 108 -5.847 13.715 4.335 843 HD1 PHE 108 HD1 PHE 108 -2.319 14.930 4.391 844 HD2 PHE 108 HD2 PHE 108 -6.442 15.855 5.166 845 HE1 PHE 108 HE1 PHE 108 -1.712 17.299 4.794 846 HE2 PHE 108 HE2 PHE 108 -5.833 18.225 5.570 847 HZ PHE 108 HZ PHE 108 -3.468 18.947 5.385 848 H SER 109 H SER 109 -3.811 12.787 8.192 849 HA SER 109 HA SER 109 -4.812 13.369 10.222 850 HB2 SER 109 2HB SER 109 -6.574 15.300 8.719 851 HB3 SER 109 3HB SER 109 -5.906 15.447 10.342 852 HG SER 109 HG SER 109 -4.720 15.865 7.848 853 H LYS 110 H LYS 110 -6.471 11.991 7.672 854 HA LYS 110 HA LYS 110 -8.646 11.095 7.423 855 HB2 LYS 110 2HB LYS 110 -9.031 9.356 9.178 856 HB3 LYS 110 3HB LYS 110 -7.409 9.315 8.498 857 HG2 LYS 110 2HG LYS 110 -6.496 10.446 10.420 858 HG3 LYS 110 3HG LYS 110 -8.109 10.768 11.062 859 HD2 LYS 110 2HD LYS 110 -8.486 8.318 11.256 860 HD3 LYS 110 3HD LYS 110 -6.834 8.042 10.696 861 HE2 LYS 110 2HE LYS 110 -7.546 9.692 13.136 862 HE3 LYS 110 3HE LYS 110 -7.060 7.997 13.196 863 HZ1 LYS 110 3HZ LYS 110 -4.949 8.516 12.332 864 HZ2 LYS 110 1HZ LYS 110 -5.241 9.671 13.539 865 HZ3 LYS 110 2HZ LYS 110 -5.415 10.093 11.902 866 H SER 111 H SER 111 -8.676 13.760 8.654 867 HA SER 111 HA SER 111 -10.793 13.610 10.712 868 HB2 SER 111 2HB SER 111 -10.488 15.992 10.915 869 HB3 SER 111 3HB SER 111 -8.886 15.268 10.801 870 HG SER 111 HG SER 111 -10.339 16.756 8.918 871 H GLU 112 H GLU 112 -10.600 13.645 7.347 872 HA GLU 112 HA GLU 112 -13.446 14.571 7.120 873 HB2 GLU 112 2HB GLU 112 -12.882 15.571 4.940 874 HB3 GLU 112 3HB GLU 112 -11.912 16.303 6.218 875 HG2 GLU 112 2HG GLU 112 -10.049 14.742 5.654 876 HG3 GLU 112 3HG GLU 112 -11.012 14.116 4.315 877 H LEU 113 H LEU 113 -10.876 12.436 6.100 878 HA LEU 113 HA LEU 113 -12.255 11.114 3.971 879 HB2 LEU 113 2HB LEU 113 -10.099 10.155 5.875 880 HB3 LEU 113 3HB LEU 113 -10.622 9.254 4.455 881 HG LEU 113 HG LEU 113 -9.582 12.104 4.366 882 HD11 LEU 113 1HD1 LEU 113 -7.845 10.495 5.146 883 HD12 LEU 113 2HD1 LEU 113 -7.469 11.186 3.568 884 HD13 LEU 113 3HD1 LEU 113 -8.101 9.544 3.682 885 HD21 LEU 113 3HD2 LEU 113 -10.752 11.856 2.374 886 HD22 LEU 113 1HD2 LEU 113 -10.498 10.113 2.303 887 HD23 LEU 113 2HD2 LEU 113 -9.192 11.215 1.879 888 H GLU 114 H GLU 114 -12.100 10.507 7.465 889 HA GLU 114 HA GLU 114 -13.759 8.130 7.323 890 HB2 GLU 114 2HB GLU 114 -12.935 9.905 9.639 891 HB3 GLU 114 3HB GLU 114 -13.799 8.378 9.819 892 HG2 GLU 114 2HG GLU 114 -11.125 8.670 8.424 893 HG3 GLU 114 3HG GLU 114 -11.317 8.138 10.094 894 H HIS 115 H HIS 115 -15.952 7.937 7.677 895 HA HIS 115 HA HIS 115 -17.548 10.397 7.423 896 HB2 HIS 115 2HB HIS 115 -18.314 7.465 7.479 897 HB3 HIS 115 3HB HIS 115 -19.450 8.790 7.215 898 HD1 HIS 115 HD1 HIS 115 -18.823 10.397 5.093 899 HD2 HIS 115 HD2 HIS 115 -17.029 6.634 5.162 900 HE1 HIS 115 HE1 HIS 115 -17.981 9.963 2.746 901 H HIS 116 H HIS 116 -18.850 11.251 8.994 902 HA HIS 116 HA HIS 116 -19.416 11.788 11.210 903 HB2 HIS 116 2HB HIS 116 -21.152 10.149 10.555 904 HB3 HIS 116 3HB HIS 116 -20.140 8.843 11.177 905 HD1 HIS 116 HD1 HIS 116 -20.412 8.305 13.605 906 HD2 HIS 116 HD2 HIS 116 -21.846 12.113 12.700 907 HE1 HIS 116 HE1 HIS 116 -21.478 9.192 15.725 908 H HIS 117 H HIS 117 -17.195 12.154 11.874 909 HA HIS 117 HA HIS 117 -15.810 9.939 13.260 910 HB2 HIS 117 2HB HIS 117 -14.583 11.566 11.805 911 HB3 HIS 117 3HB HIS 117 -14.973 12.835 12.966 912 HD1 HIS 117 HD1 HIS 117 -13.832 12.710 15.309 913 HD2 HIS 117 HD2 HIS 117 -12.608 9.721 12.674 914 HE1 HIS 117 HE1 HIS 117 -11.793 11.630 16.350 915 H HIS 118 H HIS 118 -15.871 9.645 15.411 916 HA HIS 118 HA HIS 118 -17.606 11.237 17.083 917 HB2 HIS 118 2HB HIS 118 -16.905 9.715 18.868 918 HB3 HIS 118 3HB HIS 118 -17.259 8.805 17.401 919 HD1 HIS 118 HD1 HIS 118 -15.234 7.792 16.092 920 HD2 HIS 118 HD2 HIS 118 -14.174 9.688 19.652 921 HE1 HIS 118 HE1 HIS 118 -12.852 7.095 16.594 922 H HIS 119 H HIS 119 -17.059 12.696 18.722 923 HA HIS 119 HA HIS 119 -14.272 13.778 18.600 924 HB2 HIS 119 2HB HIS 119 -16.865 15.023 19.554 925 HB3 HIS 119 3HB HIS 119 -15.290 15.818 19.582 926 HD1 HIS 119 HD1 HIS 119 -14.067 15.941 17.127 927 HD2 HIS 119 HD2 HIS 119 -18.186 15.299 17.130 928 HE1 HIS 119 HE1 HIS 119 -14.882 16.502 14.795 929 H HIS 120 H HIS 120 -12.976 13.502 20.305 930 HA HIS 120 HA HIS 120 -12.257 12.662 22.382 931 HB2 HIS 120 2HB HIS 120 -12.833 14.980 22.920 932 HB3 HIS 120 3HB HIS 120 -14.509 14.514 23.212 933 HD1 HIS 120 HD1 HIS 120 -11.029 13.639 24.513 934 HD2 HIS 120 HD2 HIS 120 -14.982 13.755 25.829 935 HE1 HIS 120 HE1 HIS 120 -10.979 13.064 26.978 Start of MODEL 8 1 H1 MET 1 1H MET 1 11.074 1.371 10.972 2 H2 MET 1 2H MET 1 12.441 2.073 11.696 3 H3 MET 1 3H MET 1 12.622 1.014 10.380 4 HA MET 1 HA MET 1 12.006 3.833 10.403 5 HB2 MET 1 2HB MET 1 13.035 1.841 8.359 6 HB3 MET 1 3HB MET 1 12.915 3.577 8.073 7 HG2 MET 1 2HG MET 1 14.406 3.996 9.996 8 HG3 MET 1 3HG MET 1 14.543 2.262 10.268 9 HE1 MET 1 3HE MET 1 16.595 0.823 7.597 10 HE2 MET 1 1HE MET 1 14.890 1.008 7.166 11 HE3 MET 1 2HE MET 1 15.347 0.636 8.825 12 H ALA 2 H ALA 2 10.848 0.925 8.723 13 HA ALA 2 HA ALA 2 8.901 0.518 7.514 14 HB1 ALA 2 3HB ALA 2 7.692 0.848 9.528 15 HB2 ALA 2 1HB ALA 2 6.859 1.833 8.327 16 HB3 ALA 2 2HB ALA 2 7.942 2.592 9.491 17 H GLU 3 H GLU 3 8.903 1.059 5.412 18 HA GLU 3 HA GLU 3 8.208 3.835 4.652 19 HB2 GLU 3 2HB GLU 3 10.083 4.031 3.101 20 HB3 GLU 3 3HB GLU 3 10.688 3.755 4.732 21 HG2 GLU 3 2HG GLU 3 10.912 1.330 4.211 22 HG3 GLU 3 3HG GLU 3 10.411 1.666 2.553 23 H ILE 4 H ILE 4 7.297 3.982 2.576 24 HA ILE 4 HA ILE 4 6.497 1.357 1.375 25 HB ILE 4 HB ILE 4 5.163 4.073 1.226 26 HG12 ILE 4 2HG1 ILE 4 4.242 1.517 2.575 27 HG13 ILE 4 3HG1 ILE 4 5.059 2.830 3.427 28 HG21 ILE 4 1HG2 ILE 4 4.691 2.931 -0.809 29 HG22 ILE 4 2HG2 ILE 4 3.300 2.610 0.225 30 HG23 ILE 4 3HG2 ILE 4 4.541 1.379 0.009 31 HD11 ILE 4 3HD1 ILE 4 3.284 4.393 2.710 32 HD12 ILE 4 1HD1 ILE 4 2.624 3.055 3.650 33 HD13 ILE 4 2HD1 ILE 4 2.454 3.067 1.894 34 H GLN 5 H GLN 5 7.182 0.923 -0.654 35 HA GLN 5 HA GLN 5 8.243 3.176 -2.328 36 HB2 GLN 5 2HB GLN 5 9.379 0.376 -2.301 37 HB3 GLN 5 3HB GLN 5 10.083 1.828 -3.007 38 HG2 GLN 5 2HG GLN 5 9.653 1.322 -0.050 39 HG3 GLN 5 3HG GLN 5 11.202 1.269 -0.892 40 HE21 GLN 5 1HE2 GLN 5 10.110 3.157 1.278 41 HE22 GLN 5 2HE2 GLN 5 10.384 4.705 0.643 42 H PHE 6 H PHE 6 7.458 3.210 -4.366 43 HA PHE 6 HA PHE 6 5.587 1.060 -5.211 44 HB2 PHE 6 2HB PHE 6 6.160 3.871 -6.157 45 HB3 PHE 6 3HB PHE 6 5.204 2.760 -7.134 46 HD1 PHE 6 HD1 PHE 6 3.341 1.442 -5.723 47 HD2 PHE 6 HD2 PHE 6 4.987 5.274 -4.692 48 HE1 PHE 6 HE1 PHE 6 1.333 1.938 -4.366 49 HE2 PHE 6 HE2 PHE 6 2.976 5.767 -3.327 50 HZ PHE 6 HZ PHE 6 1.150 4.098 -3.169 51 H SER 7 H SER 7 7.989 3.066 -6.908 52 HA SER 7 HA SER 7 8.843 0.647 -8.458 53 HB2 SER 7 2HB SER 7 8.825 3.590 -9.161 54 HB3 SER 7 3HB SER 7 9.661 2.376 -10.125 55 HG SER 7 HG SER 7 7.737 1.434 -10.600 56 H LYS 8 H LYS 8 9.705 2.043 -5.805 57 HA LYS 8 HA LYS 8 11.684 2.320 -4.618 58 HB2 LYS 8 2HB LYS 8 12.777 0.681 -6.917 59 HB3 LYS 8 3HB LYS 8 13.687 1.096 -5.469 60 HG2 LYS 8 2HG LYS 8 12.074 -0.052 -4.060 61 HG3 LYS 8 3HG LYS 8 11.034 -0.363 -5.447 62 HD2 LYS 8 2HD LYS 8 12.232 -2.394 -5.118 63 HD3 LYS 8 3HD LYS 8 13.024 -1.608 -6.479 64 HE2 LYS 8 2HE LYS 8 14.848 -0.872 -5.120 65 HE3 LYS 8 3HE LYS 8 13.995 -1.270 -3.630 66 HZ1 LYS 8 3HZ LYS 8 15.746 -2.877 -4.940 67 HZ2 LYS 8 1HZ LYS 8 14.240 -3.499 -5.411 68 HZ3 LYS 8 2HZ LYS 8 14.631 -3.379 -3.761 69 H GLY 9 H GLY 9 12.836 4.112 -4.380 70 HA2 GLY 9 2HA GLY 9 14.433 5.790 -4.953 71 HA3 GLY 9 3HA GLY 9 14.335 5.284 -6.641 72 H VAL 10 H VAL 10 11.254 5.548 -5.323 73 HA VAL 10 HA VAL 10 10.894 8.264 -6.541 74 HB VAL 10 HB VAL 10 8.420 7.432 -6.628 75 HG11 VAL 10 1HG1 VAL 10 10.608 6.229 -8.351 76 HG12 VAL 10 2HG1 VAL 10 9.803 7.775 -8.614 77 HG13 VAL 10 3HG1 VAL 10 8.900 6.270 -8.784 78 HG21 VAL 10 3HG2 VAL 10 9.884 4.776 -6.506 79 HG22 VAL 10 1HG2 VAL 10 8.148 5.027 -6.696 80 HG23 VAL 10 2HG2 VAL 10 8.934 5.428 -5.169 81 H ALA 11 H ALA 11 9.859 9.847 -5.399 82 HA ALA 11 HA ALA 11 9.976 9.791 -2.557 83 HB1 ALA 11 3HB ALA 11 10.054 11.874 -3.860 84 HB2 ALA 11 1HB ALA 11 8.757 11.937 -2.668 85 HB3 ALA 11 2HB ALA 11 8.381 11.629 -4.365 86 H GLU 12 H GLU 12 8.441 9.423 -0.988 87 HA GLU 12 HA GLU 12 5.932 8.079 -1.862 88 HB2 GLU 12 2HB GLU 12 7.481 6.970 -0.212 89 HB3 GLU 12 3HB GLU 12 7.148 8.291 0.906 90 HG2 GLU 12 2HG GLU 12 5.675 6.467 1.475 91 HG3 GLU 12 3HG GLU 12 4.694 7.726 0.724 92 H THR 13 H THR 13 6.814 10.221 0.848 93 HA THR 13 HA THR 13 5.583 11.907 1.907 94 HB THR 13 HB THR 13 4.362 13.449 0.220 95 HG1 THR 13 HG1 THR 13 4.097 11.990 -1.439 96 HG21 THR 13 3HG2 THR 13 7.306 12.803 0.146 97 HG22 THR 13 1HG2 THR 13 6.491 14.118 0.992 98 HG23 THR 13 2HG2 THR 13 6.627 14.154 -0.766 99 H VAL 14 H VAL 14 3.258 12.929 1.951 100 HA VAL 14 HA VAL 14 1.022 12.584 2.495 101 HB VAL 14 HB VAL 14 1.288 10.713 0.125 102 HG11 VAL 14 1HG1 VAL 14 -1.118 11.476 1.786 103 HG12 VAL 14 2HG1 VAL 14 -0.582 9.861 1.322 104 HG13 VAL 14 3HG1 VAL 14 -1.268 10.943 0.111 105 HG21 VAL 14 3HG2 VAL 14 1.604 13.145 -0.264 106 HG22 VAL 14 1HG2 VAL 14 0.031 13.451 0.472 107 HG23 VAL 14 2HG2 VAL 14 0.137 12.543 -1.035 108 H VAL 15 H VAL 15 -0.310 11.238 3.768 109 HA VAL 15 HA VAL 15 1.052 8.811 4.797 110 HB VAL 15 HB VAL 15 0.615 10.491 6.476 111 HG11 VAL 15 1HG1 VAL 15 -1.499 11.326 5.110 112 HG12 VAL 15 2HG1 VAL 15 -1.438 11.507 6.861 113 HG13 VAL 15 3HG1 VAL 15 -2.355 10.185 6.145 114 HG21 VAL 15 3HG2 VAL 15 -0.506 9.076 8.057 115 HG22 VAL 15 1HG2 VAL 15 0.358 8.024 6.939 116 HG23 VAL 15 2HG2 VAL 15 -1.383 8.242 6.773 117 HA PRO 16 HA PRO 16 -2.405 6.956 2.432 118 HB2 PRO 16 2HB PRO 16 -1.359 4.436 2.241 119 HB3 PRO 16 3HB PRO 16 -0.844 5.777 1.200 120 HG2 PRO 16 2HG PRO 16 0.490 4.624 3.601 121 HG3 PRO 16 3HG PRO 16 1.199 5.235 2.101 122 HD2 PRO 16 2HD PRO 16 1.122 6.660 4.458 123 HD3 PRO 16 3HD PRO 16 1.246 7.417 2.853 124 H GLU 17 H GLU 17 -4.195 5.762 3.078 125 HA GLU 17 HA GLU 17 -4.195 4.863 5.918 126 HB2 GLU 17 2HB GLU 17 -6.450 5.374 3.955 127 HB3 GLU 17 3HB GLU 17 -6.676 4.823 5.614 128 HG2 GLU 17 2HG GLU 17 -6.917 7.147 5.830 129 HG3 GLU 17 3HG GLU 17 -5.225 6.912 6.252 130 H VAL 18 H VAL 18 -4.688 2.774 6.497 131 HA VAL 18 HA VAL 18 -4.682 0.762 4.285 132 HB VAL 18 HB VAL 18 -4.156 0.209 7.208 133 HG11 VAL 18 1HG1 VAL 18 -3.380 -1.147 4.607 134 HG12 VAL 18 2HG1 VAL 18 -4.550 -1.733 5.789 135 HG13 VAL 18 3HG1 VAL 18 -2.838 -1.662 6.202 136 HG21 VAL 18 3HG2 VAL 18 -2.295 1.301 5.088 137 HG22 VAL 18 1HG2 VAL 18 -1.688 0.352 6.444 138 HG23 VAL 18 2HG2 VAL 18 -2.529 1.872 6.740 139 H ARG 19 H ARG 19 -6.518 -0.335 3.928 140 HA ARG 19 HA ARG 19 -8.675 -0.268 6.009 141 HB2 ARG 19 2HB ARG 19 -8.820 -0.565 2.998 142 HB3 ARG 19 3HB ARG 19 -10.207 -0.693 4.080 143 HG2 ARG 19 2HG ARG 19 -9.852 1.590 4.871 144 HG3 ARG 19 3HG ARG 19 -8.392 1.728 3.892 145 HD2 ARG 19 2HD ARG 19 -10.260 2.808 2.738 146 HD3 ARG 19 3HD ARG 19 -9.757 1.375 1.844 147 HE ARG 19 HE ARG 19 -11.809 0.325 2.429 148 HH11 ARG 19 1HH2 ARG 19 -11.318 3.310 4.101 149 HH12 ARG 19 2HH2 ARG 19 -12.947 3.399 4.679 150 HH21 ARG 19 1HH1 ARG 19 -13.927 0.437 3.173 151 HH22 ARG 19 2HH1 ARG 19 -14.424 1.775 4.154 152 H LEU 20 H LEU 20 -9.690 -2.183 6.568 153 HA LEU 20 HA LEU 20 -8.202 -4.658 5.893 154 HB2 LEU 20 2HB LEU 20 -10.132 -3.853 8.058 155 HB3 LEU 20 3HB LEU 20 -9.800 -5.557 7.760 156 HG LEU 20 HG LEU 20 -8.339 -4.503 9.528 157 HD11 LEU 20 1HD1 LEU 20 -6.489 -5.266 7.286 158 HD12 LEU 20 2HD1 LEU 20 -7.675 -6.458 7.822 159 HD13 LEU 20 3HD1 LEU 20 -6.508 -5.802 8.965 160 HD21 LEU 20 3HD2 LEU 20 -6.979 -3.097 7.222 161 HD22 LEU 20 1HD2 LEU 20 -6.710 -2.868 8.949 162 HD23 LEU 20 2HD2 LEU 20 -8.206 -2.301 8.209 163 H SER 21 H SER 21 -9.116 -6.360 4.814 164 HA SER 21 HA SER 21 -12.010 -6.378 4.251 165 HB2 SER 21 2HB SER 21 -9.950 -6.171 2.041 166 HB3 SER 21 3HB SER 21 -11.672 -6.461 1.808 167 HG SER 21 HG SER 21 -10.741 -4.186 1.738 168 H LYS 22 H LYS 22 -12.577 -8.364 2.954 169 HA LYS 22 HA LYS 22 -10.808 -10.634 3.761 170 HB2 LYS 22 2HB LYS 22 -12.865 -12.008 3.547 171 HB3 LYS 22 3HB LYS 22 -13.053 -10.702 4.717 172 HG2 LYS 22 2HG LYS 22 -14.162 -9.323 2.966 173 HG3 LYS 22 3HG LYS 22 -14.033 -10.682 1.846 174 HD2 LYS 22 2HD LYS 22 -15.363 -12.077 3.409 175 HD3 LYS 22 3HD LYS 22 -15.529 -10.692 4.486 176 HE2 LYS 22 2HE LYS 22 -16.503 -10.801 1.615 177 HE3 LYS 22 3HE LYS 22 -17.523 -10.957 3.045 178 HZ1 LYS 22 3HZ LYS 22 -16.162 -8.695 3.555 179 HZ2 LYS 22 1HZ LYS 22 -17.712 -8.753 2.871 180 HZ3 LYS 22 2HZ LYS 22 -16.348 -8.601 1.869 181 H SER 23 H SER 23 -10.419 -12.319 2.260 182 HA SER 23 HA SER 23 -10.057 -11.420 -0.465 183 HB2 SER 23 2HB SER 23 -8.869 -13.414 -0.780 184 HB3 SER 23 3HB SER 23 -8.664 -13.119 0.943 185 HG SER 23 HG SER 23 -10.365 -14.557 1.331 186 H LYS 24 H LYS 24 -10.816 -12.733 -2.339 187 HA LYS 24 HA LYS 24 -13.665 -12.850 -2.454 188 HB2 LYS 24 2HB LYS 24 -11.531 -14.013 -4.260 189 HB3 LYS 24 3HB LYS 24 -13.249 -14.013 -4.657 190 HG2 LYS 24 2HG LYS 24 -13.284 -11.542 -4.467 191 HG3 LYS 24 3HG LYS 24 -11.561 -11.553 -4.096 192 HD2 LYS 24 2HD LYS 24 -11.071 -12.552 -6.285 193 HD3 LYS 24 3HD LYS 24 -12.793 -12.614 -6.658 194 HE2 LYS 24 2HE LYS 24 -11.769 -10.644 -7.713 195 HE3 LYS 24 3HE LYS 24 -12.913 -10.145 -6.467 196 HZ1 LYS 24 3HZ LYS 24 -10.042 -10.499 -5.871 197 HZ2 LYS 24 1HZ LYS 24 -11.202 -9.618 -5.002 198 HZ3 LYS 24 2HZ LYS 24 -10.640 -9.037 -6.497 199 H ASN 25 H ASN 25 -11.217 -15.348 -1.875 200 HA ASN 25 HA ASN 25 -13.244 -17.488 -1.866 201 HB2 ASN 25 2HB ASN 25 -10.277 -17.435 -1.248 202 HB3 ASN 25 3HB ASN 25 -11.262 -18.891 -1.101 203 HD21 ASN 25 1HD2 ASN 25 -9.099 -18.706 -2.996 204 HD22 ASN 25 2HD2 ASN 25 -9.763 -18.741 -4.558 205 H GLY 26 H GLY 26 -12.454 -15.076 0.223 206 HA2 GLY 26 2HA GLY 26 -12.735 -14.743 2.527 207 HA3 GLY 26 3HA GLY 26 -13.965 -15.998 2.404 208 H GLN 27 H GLN 27 -10.393 -15.780 2.409 209 HA GLN 27 HA GLN 27 -10.273 -17.692 4.637 210 HB2 GLN 27 2HB GLN 27 -10.425 -19.189 2.670 211 HB3 GLN 27 3HB GLN 27 -9.044 -18.363 1.945 212 HG2 GLN 27 2HG GLN 27 -7.592 -19.063 3.753 213 HG3 GLN 27 3HG GLN 27 -8.955 -19.739 4.643 214 HE21 GLN 27 1HE2 GLN 27 -6.741 -21.379 3.957 215 HE22 GLN 27 2HE2 GLN 27 -7.238 -22.511 2.793 216 H SER 28 H SER 28 -8.017 -16.666 2.057 217 HA SER 28 HA SER 28 -5.912 -16.135 3.959 218 HB2 SER 28 2HB SER 28 -5.379 -16.772 1.672 219 HB3 SER 28 3HB SER 28 -6.192 -15.336 1.054 220 HG SER 28 HG SER 28 -4.013 -15.286 2.876 221 H GLY 29 H GLY 29 -5.050 -14.153 4.612 222 HA2 GLY 29 2HA GLY 29 -6.910 -12.082 5.218 223 HA3 GLY 29 3HA GLY 29 -5.160 -11.957 5.385 224 H MET 30 H MET 30 -7.107 -9.966 4.370 225 HA MET 30 HA MET 30 -5.700 -9.371 1.817 226 HB2 MET 30 2HB MET 30 -7.858 -10.437 1.216 227 HB3 MET 30 3HB MET 30 -8.709 -9.221 2.170 228 HG2 MET 30 2HG MET 30 -7.837 -7.439 0.738 229 HG3 MET 30 3HG MET 30 -6.888 -8.611 -0.178 230 HE1 MET 30 3HE MET 30 -8.382 -7.946 -2.766 231 HE2 MET 30 1HE MET 30 -8.279 -6.724 -1.489 232 HE3 MET 30 2HE MET 30 -9.824 -7.073 -2.258 233 H ALA 31 H ALA 31 -5.038 -7.292 1.801 234 HA ALA 31 HA ALA 31 -6.446 -5.315 3.561 235 HB1 ALA 31 3HB ALA 31 -4.302 -6.210 4.592 236 HB2 ALA 31 1HB ALA 31 -4.354 -4.464 4.362 237 HB3 ALA 31 2HB ALA 31 -3.441 -5.474 3.240 238 H LYS 32 H LYS 32 -6.514 -3.238 2.740 239 HA LYS 32 HA LYS 32 -5.440 -2.853 -0.039 240 HB2 LYS 32 2HB LYS 32 -8.020 -1.869 1.210 241 HB3 LYS 32 3HB LYS 32 -7.417 -1.342 -0.363 242 HG2 LYS 32 2HG LYS 32 -7.442 -3.677 -1.159 243 HG3 LYS 32 3HG LYS 32 -8.044 -4.206 0.413 244 HD2 LYS 32 2HD LYS 32 -10.061 -2.819 0.115 245 HD3 LYS 32 3HD LYS 32 -9.462 -2.283 -1.455 246 HE2 LYS 32 2HE LYS 32 -9.489 -4.599 -2.276 247 HE3 LYS 32 3HE LYS 32 -10.052 -5.161 -0.703 248 HZ1 LYS 32 3HZ LYS 32 -12.107 -4.210 -0.994 249 HZ2 LYS 32 1HZ LYS 32 -11.750 -4.699 -2.578 250 HZ3 LYS 32 2HZ LYS 32 -11.553 -3.073 -2.128 251 H PHE 33 H PHE 33 -4.628 -0.782 -0.512 252 HA PHE 33 HA PHE 33 -4.183 1.024 1.848 253 HB2 PHE 33 2HB PHE 33 -2.322 0.185 -0.385 254 HB3 PHE 33 3HB PHE 33 -2.026 1.623 0.593 255 HD1 PHE 33 HD2 PHE 33 -2.483 -2.064 0.730 256 HD2 PHE 33 HD1 PHE 33 -1.212 1.461 2.830 257 HE1 PHE 33 HE2 PHE 33 -1.525 -3.478 2.527 258 HE2 PHE 33 HE1 PHE 33 -0.254 0.047 4.626 259 HZ PHE 33 HZ PHE 33 -0.409 -2.423 4.476 260 H TYR 34 H TYR 34 -4.561 3.171 1.490 261 HA TYR 34 HA TYR 34 -5.540 3.949 -1.236 262 HB2 TYR 34 2HB TYR 34 -7.253 3.955 0.573 263 HB3 TYR 34 3HB TYR 34 -6.276 5.132 1.453 264 HD1 TYR 34 HD1 TYR 34 -7.801 4.559 -1.917 265 HD2 TYR 34 HD2 TYR 34 -6.614 7.424 1.054 266 HE1 TYR 34 HE1 TYR 34 -8.800 6.376 -3.275 267 HE2 TYR 34 HE2 TYR 34 -7.613 9.244 -0.304 268 HH TYR 34 HH TYR 34 -8.288 9.054 -3.418 269 H PHE 35 H PHE 35 -4.279 5.371 -2.255 270 HA PHE 35 HA PHE 35 -2.400 7.078 -0.658 271 HB2 PHE 35 2HB PHE 35 -2.223 6.031 -3.496 272 HB3 PHE 35 3HB PHE 35 -1.077 7.165 -2.781 273 HD1 PHE 35 HD2 PHE 35 -2.390 3.711 -2.659 274 HD2 PHE 35 HD1 PHE 35 0.504 6.467 -1.083 275 HE1 PHE 35 HE2 PHE 35 -1.170 1.827 -1.602 276 HE2 PHE 35 HE1 PHE 35 1.724 4.582 -0.034 277 HZ PHE 35 HZ PHE 35 0.886 2.266 -0.286 278 H LEU 36 H LEU 36 -3.032 9.151 -0.573 279 HA LEU 36 HA LEU 36 -4.841 10.197 -2.693 280 HB2 LEU 36 2HB LEU 36 -5.542 10.366 -0.299 281 HB3 LEU 36 3HB LEU 36 -4.145 11.401 -0.002 282 HG LEU 36 HG LEU 36 -4.994 12.989 -1.727 283 HD11 LEU 36 1HD1 LEU 36 -6.364 11.830 -3.213 284 HD12 LEU 36 2HD1 LEU 36 -7.579 12.588 -2.192 285 HD13 LEU 36 3HD1 LEU 36 -7.145 10.898 -1.935 286 HD21 LEU 36 3HD2 LEU 36 -5.553 13.132 0.756 287 HD22 LEU 36 1HD2 LEU 36 -7.115 12.412 0.359 288 HD23 LEU 36 2HD2 LEU 36 -6.666 13.976 -0.321 289 H GLU 37 H GLU 37 -3.704 11.059 -4.324 290 HA GLU 37 HA GLU 37 -2.090 12.291 -5.484 291 HB2 GLU 37 2HB GLU 37 -2.652 14.065 -3.100 292 HB3 GLU 37 3HB GLU 37 -1.692 14.575 -4.493 293 HG2 GLU 37 2HG GLU 37 -4.477 13.431 -4.779 294 HG3 GLU 37 3HG GLU 37 -4.182 15.159 -4.589 295 HA PRO 38 HA PRO 38 1.337 10.858 -2.575 296 HB2 PRO 38 2HB PRO 38 2.326 8.900 -4.254 297 HB3 PRO 38 3HB PRO 38 1.089 8.599 -3.020 298 HG2 PRO 38 2HG PRO 38 0.758 9.037 -5.950 299 HG3 PRO 38 3HG PRO 38 -0.068 7.885 -4.890 300 HD2 PRO 38 2HD PRO 38 -1.232 10.203 -5.706 301 HD3 PRO 38 3HD PRO 38 -1.578 9.483 -4.119 302 H THR 39 H THR 39 0.902 12.738 -5.067 303 HA THR 39 HA THR 39 2.222 14.067 -6.458 304 HB THR 39 HB THR 39 4.236 14.901 -5.455 305 HG1 THR 39 HG1 THR 39 5.116 12.801 -5.017 306 HG21 THR 39 3HG2 THR 39 2.023 15.311 -4.283 307 HG22 THR 39 1HG2 THR 39 3.453 15.498 -3.269 308 HG23 THR 39 2HG2 THR 39 2.475 14.034 -3.155 309 H ILE 40 H ILE 40 2.300 11.026 -6.781 310 HA ILE 40 HA ILE 40 4.982 10.702 -8.031 311 HB ILE 40 HB ILE 40 3.853 8.937 -6.504 312 HG12 ILE 40 2HG1 ILE 40 4.738 8.012 -9.247 313 HG13 ILE 40 3HG1 ILE 40 5.853 8.570 -8.000 314 HG21 ILE 40 1HG2 ILE 40 1.679 9.209 -8.034 315 HG22 ILE 40 2HG2 ILE 40 2.085 7.657 -7.301 316 HG23 ILE 40 3HG2 ILE 40 2.477 7.967 -8.991 317 HD11 ILE 40 3HD1 ILE 40 5.133 6.809 -6.493 318 HD12 ILE 40 1HD1 ILE 40 5.583 6.081 -8.034 319 HD13 ILE 40 2HD1 ILE 40 3.881 6.299 -7.625 320 H LEU 41 H LEU 41 1.781 11.537 -8.839 321 HA LEU 41 HA LEU 41 1.609 10.439 -11.494 322 HB2 LEU 41 2HB LEU 41 0.323 12.886 -10.256 323 HB3 LEU 41 3HB LEU 41 -0.116 12.235 -11.833 324 HG LEU 41 HG LEU 41 -0.212 10.637 -9.258 325 HD11 LEU 41 1HD1 LEU 41 -2.703 10.942 -9.466 326 HD12 LEU 41 2HD1 LEU 41 -2.397 12.151 -10.712 327 HD13 LEU 41 3HD1 LEU 41 -1.827 12.419 -9.066 328 HD21 LEU 41 3HD2 LEU 41 -0.972 10.098 -12.125 329 HD22 LEU 41 1HD2 LEU 41 -1.883 9.316 -10.834 330 HD23 LEU 41 2HD2 LEU 41 -0.150 9.046 -10.972 331 H ALA 42 H ALA 42 2.845 13.492 -10.213 332 HA ALA 42 HA ALA 42 3.484 14.565 -12.846 333 HB1 ALA 42 3HB ALA 42 4.404 15.396 -10.080 334 HB2 ALA 42 1HB ALA 42 2.999 16.042 -10.928 335 HB3 ALA 42 2HB ALA 42 4.622 16.342 -11.552 336 H LYS 43 H LYS 43 4.957 12.331 -10.718 337 HA LYS 43 HA LYS 43 7.671 12.793 -11.867 338 HB2 LYS 43 2HB LYS 43 6.668 11.083 -9.589 339 HB3 LYS 43 3HB LYS 43 8.327 11.034 -10.180 340 HG2 LYS 43 2HG LYS 43 8.597 13.423 -9.694 341 HG3 LYS 43 3HG LYS 43 6.915 13.525 -9.180 342 HD2 LYS 43 2HD LYS 43 8.124 13.312 -7.154 343 HD3 LYS 43 3HD LYS 43 7.505 11.691 -7.464 344 HE2 LYS 43 2HE LYS 43 9.635 10.941 -8.282 345 HE3 LYS 43 3HE LYS 43 10.267 12.585 -8.337 346 HZ1 LYS 43 3HZ LYS 43 9.524 11.043 -5.914 347 HZ2 LYS 43 1HZ LYS 43 9.978 12.676 -5.906 348 HZ3 LYS 43 2HZ LYS 43 11.090 11.491 -6.398 349 H GLU 44 H GLU 44 5.661 9.922 -11.112 350 HA GLU 44 HA GLU 44 6.603 8.711 -13.691 351 HB2 GLU 44 2HB GLU 44 7.547 7.589 -11.699 352 HB3 GLU 44 3HB GLU 44 5.914 7.289 -11.109 353 HG2 GLU 44 2HG GLU 44 5.404 5.960 -13.088 354 HG3 GLU 44 3HG GLU 44 6.990 6.317 -13.767 355 H SER 45 H SER 45 5.079 7.855 -15.017 356 HA SER 45 HA SER 45 2.327 8.630 -14.638 357 HB2 SER 45 2HB SER 45 3.395 6.647 -16.655 358 HB3 SER 45 3HB SER 45 1.947 7.640 -16.789 359 HG SER 45 HG SER 45 4.659 8.476 -16.755 360 H THR 46 H THR 46 0.510 7.286 -14.365 361 HA THR 46 HA THR 46 0.711 5.198 -12.455 362 HB THR 46 HB THR 46 -1.665 4.722 -13.095 363 HG1 THR 46 HG1 THR 46 -0.975 6.576 -15.118 364 HG21 THR 46 3HG2 THR 46 -2.475 7.100 -12.657 365 HG22 THR 46 1HG2 THR 46 -0.779 7.584 -12.692 366 HG23 THR 46 2HG2 THR 46 -1.346 6.443 -11.472 367 H ASP 47 H ASP 47 0.417 5.087 -15.986 368 HA ASP 47 HA ASP 47 0.245 2.204 -16.138 369 HB2 ASP 47 2HB ASP 47 0.981 4.324 -18.166 370 HB3 ASP 47 3HB ASP 47 0.838 2.613 -18.564 371 H ASP 48 H ASP 48 2.831 4.380 -15.570 372 HA ASP 48 HA ASP 48 4.902 2.499 -16.552 373 HB2 ASP 48 2HB ASP 48 5.026 5.228 -15.252 374 HB3 ASP 48 3HB ASP 48 6.461 4.288 -15.652 375 H ILE 49 H ILE 49 3.043 2.951 -13.785 376 HA ILE 49 HA ILE 49 5.148 2.045 -11.905 377 HB ILE 49 HB ILE 49 2.227 2.754 -11.520 378 HG12 ILE 49 2HG1 ILE 49 4.753 4.094 -10.500 379 HG13 ILE 49 3HG1 ILE 49 3.897 4.598 -11.953 380 HG21 ILE 49 1HG2 ILE 49 2.696 1.071 -9.889 381 HG22 ILE 49 2HG2 ILE 49 2.875 2.608 -9.048 382 HG23 ILE 49 3HG2 ILE 49 4.304 1.722 -9.575 383 HD11 ILE 49 3HD1 ILE 49 1.815 4.793 -10.460 384 HD12 ILE 49 1HD1 ILE 49 3.070 6.010 -10.236 385 HD13 ILE 49 2HD1 ILE 49 2.925 4.670 -9.098 386 H THR 50 H THR 50 5.573 -0.079 -11.878 387 HA THR 50 HA THR 50 3.283 -2.001 -12.059 388 HB THR 50 HB THR 50 4.327 -2.226 -14.165 389 HG1 THR 50 HG1 THR 50 4.498 -4.269 -13.889 390 HG21 THR 50 3HG2 THR 50 6.966 -2.073 -12.687 391 HG22 THR 50 1HG2 THR 50 6.301 -0.864 -13.786 392 HG23 THR 50 2HG2 THR 50 6.803 -2.437 -14.404 393 H GLY 51 H GLY 51 3.173 -3.261 -10.333 394 HA2 GLY 51 2HA GLY 51 3.890 -4.664 -8.589 395 HA3 GLY 51 3HA GLY 51 5.558 -4.329 -9.030 396 H MET 52 H MET 52 4.541 -4.396 -6.364 397 HA MET 52 HA MET 52 5.088 -1.572 -5.533 398 HB2 MET 52 2HB MET 52 2.662 -2.048 -5.276 399 HB3 MET 52 3HB MET 52 3.055 -3.439 -4.266 400 HG2 MET 52 2HG MET 52 4.190 -1.956 -2.654 401 HG3 MET 52 3HG MET 52 3.827 -0.566 -3.674 402 HE1 MET 52 3HE MET 52 1.745 0.985 -2.261 403 HE2 MET 52 1HE MET 52 3.239 0.319 -1.591 404 HE3 MET 52 2HE MET 52 1.721 0.129 -0.722 405 H TYR 53 H TYR 53 6.778 -1.496 -4.153 406 HA TYR 53 HA TYR 53 7.671 -4.045 -2.852 407 HB2 TYR 53 2HB TYR 53 9.192 -1.532 -3.588 408 HB3 TYR 53 3HB TYR 53 9.892 -2.912 -2.742 409 HD1 TYR 53 HD1 TYR 53 8.162 -1.886 -5.879 410 HD2 TYR 53 HD2 TYR 53 10.602 -4.841 -3.939 411 HE1 TYR 53 HE1 TYR 53 8.521 -3.018 -8.055 412 HE2 TYR 53 HE2 TYR 53 10.964 -5.971 -6.118 413 HH TYR 53 HH TYR 53 9.102 -5.462 -8.775 414 H LEU 54 H LEU 54 6.870 -4.081 -0.823 415 HA LEU 54 HA LEU 54 6.796 -1.574 0.776 416 HB2 LEU 54 2HB LEU 54 5.485 -4.277 1.031 417 HB3 LEU 54 3HB LEU 54 5.523 -3.160 2.392 418 HG LEU 54 HG LEU 54 4.561 -2.224 -0.316 419 HD11 LEU 54 1HD1 LEU 54 3.247 -4.237 0.191 420 HD12 LEU 54 2HD1 LEU 54 2.255 -2.791 0.372 421 HD13 LEU 54 3HD1 LEU 54 2.886 -3.611 1.800 422 HD21 LEU 54 3HD2 LEU 54 3.176 -0.723 1.165 423 HD22 LEU 54 1HD2 LEU 54 4.908 -0.487 1.358 424 HD23 LEU 54 2HD2 LEU 54 4.007 -1.407 2.559 425 H ILE 55 H ILE 55 8.270 -1.222 2.330 426 HA ILE 55 HA ILE 55 9.955 -3.527 3.247 427 HB ILE 55 HB ILE 55 10.760 -0.672 2.683 428 HG12 ILE 55 2HG1 ILE 55 11.806 -3.243 1.477 429 HG13 ILE 55 3HG1 ILE 55 10.468 -2.346 0.761 430 HG21 ILE 55 1HG2 ILE 55 11.982 -1.361 4.615 431 HG22 ILE 55 2HG2 ILE 55 13.067 -1.621 3.249 432 HG23 ILE 55 3HG2 ILE 55 12.217 -2.987 3.973 433 HD11 ILE 55 3HD1 ILE 55 12.517 -1.644 -0.316 434 HD12 ILE 55 1HD1 ILE 55 13.282 -1.335 1.240 435 HD13 ILE 55 2HD1 ILE 55 11.946 -0.318 0.696 436 H ASP 56 H ASP 56 9.932 -3.848 5.394 437 HA ASP 56 HA ASP 56 8.713 -1.757 7.126 438 HB2 ASP 56 2HB ASP 56 8.397 -3.515 8.761 439 HB3 ASP 56 3HB ASP 56 7.806 -4.093 7.203 440 H ASP 57 H ASP 57 10.208 -3.483 9.302 441 HA ASP 57 HA ASP 57 12.244 -1.568 9.884 442 HB2 ASP 57 2HB ASP 57 11.741 -4.386 10.855 443 HB3 ASP 57 3HB ASP 57 13.039 -3.377 11.498 444 H GLU 58 H GLU 58 12.448 -4.803 8.386 445 HA GLU 58 HA GLU 58 15.022 -4.015 7.147 446 HB2 GLU 58 2HB GLU 58 14.688 -6.363 9.033 447 HB3 GLU 58 3HB GLU 58 16.022 -6.248 7.884 448 HG2 GLU 58 2HG GLU 58 16.673 -4.071 8.892 449 HG3 GLU 58 3HG GLU 58 15.368 -4.238 10.063 450 H GLY 59 H GLY 59 12.736 -6.706 7.624 451 HA2 GLY 59 2HA GLY 59 13.293 -8.044 5.173 452 HA3 GLY 59 3HA GLY 59 11.799 -8.205 6.091 453 H GLU 60 H GLU 60 11.627 -8.269 3.366 454 HA GLU 60 HA GLU 60 10.197 -5.729 2.789 455 HB2 GLU 60 2HB GLU 60 11.140 -5.657 0.516 456 HB3 GLU 60 3HB GLU 60 12.408 -5.517 1.732 457 HG2 GLU 60 2HG GLU 60 12.879 -7.936 1.510 458 HG3 GLU 60 3HG GLU 60 11.633 -8.058 0.267 459 H ILE 61 H ILE 61 8.577 -5.916 1.172 460 HA ILE 61 HA ILE 61 7.765 -8.722 0.496 461 HB ILE 61 HB ILE 61 5.988 -6.501 1.537 462 HG12 ILE 61 2HG1 ILE 61 6.460 -9.282 2.638 463 HG13 ILE 61 3HG1 ILE 61 7.362 -7.869 3.186 464 HG21 ILE 61 1HG2 ILE 61 4.231 -8.360 1.351 465 HG22 ILE 61 2HG2 ILE 61 5.381 -9.198 0.309 466 HG23 ILE 61 3HG2 ILE 61 4.748 -7.623 -0.164 467 HD11 ILE 61 3HD1 ILE 61 4.339 -8.107 3.235 468 HD12 ILE 61 1HD1 ILE 61 5.294 -6.767 3.873 469 HD13 ILE 61 2HD1 ILE 61 5.389 -8.357 4.631 470 H ILE 62 H ILE 62 7.076 -8.976 -1.586 471 HA ILE 62 HA ILE 62 6.708 -6.508 -3.252 472 HB ILE 62 HB ILE 62 8.040 -9.117 -4.033 473 HG12 ILE 62 2HG1 ILE 62 9.922 -7.201 -4.440 474 HG13 ILE 62 3HG1 ILE 62 9.053 -6.437 -3.114 475 HG21 ILE 62 1HG2 ILE 62 8.570 -7.725 -6.124 476 HG22 ILE 62 2HG2 ILE 62 7.329 -6.603 -5.564 477 HG23 ILE 62 3HG2 ILE 62 6.901 -8.271 -5.951 478 HD11 ILE 62 3HD1 ILE 62 9.380 -8.439 -1.727 479 HD12 ILE 62 1HD1 ILE 62 10.931 -7.850 -2.317 480 HD13 ILE 62 2HD1 ILE 62 10.178 -9.255 -3.068 481 H THR 63 H THR 63 4.860 -6.463 -4.421 482 HA THR 63 HA THR 63 3.447 -9.009 -5.018 483 HB THR 63 HB THR 63 2.414 -8.312 -2.936 484 HG1 THR 63 HG1 THR 63 0.832 -8.987 -4.206 485 HG21 THR 63 3HG2 THR 63 1.942 -5.626 -4.258 486 HG22 THR 63 1HG2 THR 63 3.185 -5.935 -3.046 487 HG23 THR 63 2HG2 THR 63 1.480 -6.089 -2.620 488 H ARG 64 H ARG 64 2.004 -8.828 -6.784 489 HA ARG 64 HA ARG 64 2.464 -6.442 -8.516 490 HB2 ARG 64 2HB ARG 64 1.536 -9.250 -9.173 491 HB3 ARG 64 3HB ARG 64 1.745 -7.961 -10.357 492 HG2 ARG 64 2HG ARG 64 4.022 -8.768 -8.542 493 HG3 ARG 64 3HG ARG 64 3.694 -9.668 -10.020 494 HD2 ARG 64 2HD ARG 64 3.851 -7.525 -11.308 495 HD3 ARG 64 3HD ARG 64 4.308 -6.701 -9.822 496 HE ARG 64 HE ARG 64 6.449 -7.666 -9.985 497 HH11 ARG 64 1HH2 ARG 64 4.187 -9.181 -12.115 498 HH12 ARG 64 2HH2 ARG 64 5.398 -10.098 -12.945 499 HH21 ARG 64 1HH1 ARG 64 8.018 -8.844 -11.057 500 HH22 ARG 64 2HH1 ARG 64 7.566 -9.907 -12.348 501 H GLU 65 H GLU 65 0.289 -7.456 -6.335 502 HA GLU 65 HA GLU 65 -2.167 -6.993 -7.860 503 HB2 GLU 65 2HB GLU 65 -1.629 -7.324 -4.895 504 HB3 GLU 65 3HB GLU 65 -3.242 -7.149 -5.587 505 HG2 GLU 65 2HG GLU 65 -1.280 -9.309 -6.408 506 HG3 GLU 65 3HG GLU 65 -2.548 -9.542 -5.205 507 H VAL 66 H VAL 66 -1.517 -4.833 -8.654 508 HA VAL 66 HA VAL 66 -2.010 -2.693 -6.617 509 HB VAL 66 HB VAL 66 -0.140 -2.599 -8.991 510 HG11 VAL 66 1HG1 VAL 66 -1.080 -0.427 -8.752 511 HG12 VAL 66 2HG1 VAL 66 0.458 -0.359 -7.894 512 HG13 VAL 66 3HG1 VAL 66 -1.050 -0.522 -6.992 513 HG21 VAL 66 3HG2 VAL 66 1.623 -2.471 -7.331 514 HG22 VAL 66 1HG2 VAL 66 0.634 -3.884 -6.962 515 HG23 VAL 66 2HG2 VAL 66 0.443 -2.406 -6.021 516 H LYS 67 H LYS 67 -3.577 -1.223 -7.147 517 HA LYS 67 HA LYS 67 -4.599 -1.206 -9.966 518 HB2 LYS 67 2HB LYS 67 -6.211 -1.330 -7.404 519 HB3 LYS 67 3HB LYS 67 -6.902 -0.941 -8.981 520 HG2 LYS 67 2HG LYS 67 -6.110 -3.094 -9.872 521 HG3 LYS 67 3HG LYS 67 -5.396 -3.486 -8.306 522 HD2 LYS 67 2HD LYS 67 -7.641 -3.347 -7.265 523 HD3 LYS 67 3HD LYS 67 -8.342 -3.011 -8.848 524 HE2 LYS 67 2HE LYS 67 -6.729 -5.493 -8.208 525 HE3 LYS 67 3HE LYS 67 -8.490 -5.430 -8.175 526 HZ1 LYS 67 3HZ LYS 67 -6.664 -5.314 -10.456 527 HZ2 LYS 67 1HZ LYS 67 -8.101 -4.418 -10.554 528 HZ3 LYS 67 2HZ LYS 67 -8.163 -6.098 -10.306 529 H GLY 68 H GLY 68 -5.000 0.796 -10.766 530 HA2 GLY 68 2HA GLY 68 -4.350 3.108 -9.022 531 HA3 GLY 68 3HA GLY 68 -4.366 3.122 -10.779 532 H LYS 69 H LYS 69 -5.806 4.770 -8.638 533 HA LYS 69 HA LYS 69 -8.638 4.254 -9.427 534 HB2 LYS 69 2HB LYS 69 -7.310 5.766 -7.188 535 HB3 LYS 69 3HB LYS 69 -8.968 6.163 -7.644 536 HG2 LYS 69 2HG LYS 69 -9.618 3.800 -7.326 537 HG3 LYS 69 3HG LYS 69 -7.960 3.408 -6.867 538 HD2 LYS 69 2HD LYS 69 -8.092 4.852 -4.926 539 HD3 LYS 69 3HD LYS 69 -9.679 5.441 -5.422 540 HE2 LYS 69 2HE LYS 69 -10.604 3.170 -5.188 541 HE3 LYS 69 3HE LYS 69 -9.025 2.573 -4.694 542 HZ1 LYS 69 3HZ LYS 69 -9.420 4.674 -3.047 543 HZ2 LYS 69 1HZ LYS 69 -9.711 3.053 -2.643 544 HZ3 LYS 69 2HZ LYS 69 -10.987 4.034 -3.188 545 H PHE 70 H PHE 70 -9.061 5.199 -11.331 546 HA PHE 70 HA PHE 70 -7.955 7.901 -11.933 547 HB2 PHE 70 2HB PHE 70 -9.413 5.935 -13.724 548 HB3 PHE 70 3HB PHE 70 -8.649 7.438 -14.239 549 HD1 PHE 70 HD2 PHE 70 -6.168 7.698 -14.085 550 HD2 PHE 70 HD1 PHE 70 -8.128 3.955 -13.305 551 HE1 PHE 70 HE2 PHE 70 -4.005 6.508 -14.337 552 HE2 PHE 70 HE1 PHE 70 -5.965 2.769 -13.557 553 HZ PHE 70 HZ PHE 70 -3.904 4.048 -14.073 554 H ILE 71 H ILE 71 -9.320 9.628 -12.343 555 HA ILE 71 HA ILE 71 -12.248 9.211 -11.843 556 HB ILE 71 HB ILE 71 -10.492 11.552 -11.057 557 HG12 ILE 71 2HG1 ILE 71 -12.077 9.581 -9.374 558 HG13 ILE 71 3HG1 ILE 71 -10.339 9.468 -9.656 559 HG21 ILE 71 1HG2 ILE 71 -12.656 12.394 -11.718 560 HG22 ILE 71 2HG2 ILE 71 -12.641 12.335 -9.957 561 HG23 ILE 71 3HG2 ILE 71 -13.482 11.084 -10.873 562 HD11 ILE 71 3HD1 ILE 71 -11.858 11.585 -8.137 563 HD12 ILE 71 1HD1 ILE 71 -10.237 11.894 -8.756 564 HD13 ILE 71 2HD1 ILE 71 -10.502 10.599 -7.590 565 H ASN 72 H ASN 72 -13.588 10.009 -13.379 566 HA ASN 72 HA ASN 72 -12.954 10.544 -15.974 567 HB2 ASN 72 2HB ASN 72 -15.074 12.099 -14.467 568 HB3 ASN 72 3HB ASN 72 -15.040 11.776 -16.200 569 HD21 ASN 72 1HD2 ASN 72 -15.996 10.492 -13.123 570 HD22 ASN 72 2HD2 ASN 72 -16.505 8.972 -13.679 571 H GLY 73 H GLY 73 -11.025 11.712 -16.232 572 HA2 GLY 73 2HA GLY 73 -10.903 14.277 -16.997 573 HA3 GLY 73 3HA GLY 73 -10.881 14.497 -15.245 574 H ARG 74 H ARG 74 -9.254 12.766 -14.188 575 HA ARG 74 HA ARG 74 -6.957 12.025 -15.720 576 HB2 ARG 74 2HB ARG 74 -5.408 13.758 -14.516 577 HB3 ARG 74 3HB ARG 74 -6.308 14.278 -15.939 578 HG2 ARG 74 2HG ARG 74 -7.982 15.342 -14.590 579 HG3 ARG 74 3HG ARG 74 -7.352 14.604 -13.118 580 HD2 ARG 74 2HD ARG 74 -5.932 16.657 -14.845 581 HD3 ARG 74 3HD ARG 74 -6.610 16.930 -13.240 582 HE ARG 74 HE ARG 74 -4.845 14.877 -12.795 583 HH11 ARG 74 1HH2 ARG 74 -4.639 17.928 -14.402 584 HH12 ARG 74 2HH2 ARG 74 -2.961 18.149 -14.039 585 HH21 ARG 74 1HH1 ARG 74 -2.663 15.158 -12.318 586 HH22 ARG 74 2HH1 ARG 74 -1.843 16.585 -12.859 587 HA PRO 75 HA PRO 75 -6.138 9.471 -12.168 588 HB2 PRO 75 2HB PRO 75 -3.351 10.578 -12.157 589 HB3 PRO 75 3HB PRO 75 -3.890 8.888 -12.152 590 HG2 PRO 75 2HG PRO 75 -2.932 10.121 -14.362 591 HG3 PRO 75 3HG PRO 75 -4.133 8.824 -14.424 592 HD2 PRO 75 2HD PRO 75 -4.490 11.700 -14.991 593 HD3 PRO 75 3HD PRO 75 -5.511 10.323 -15.451 594 H THR 76 H THR 76 -6.373 9.757 -9.972 595 HA THR 76 HA THR 76 -5.563 12.375 -8.762 596 HB THR 76 HB THR 76 -8.163 10.900 -8.277 597 HG1 THR 76 HG1 THR 76 -7.454 12.510 -10.234 598 HG21 THR 76 3HG2 THR 76 -7.416 12.104 -6.311 599 HG22 THR 76 1HG2 THR 76 -8.731 13.011 -7.056 600 HG23 THR 76 2HG2 THR 76 -7.063 13.537 -7.274 601 H ALA 77 H ALA 77 -6.162 8.901 -8.355 602 HA ALA 77 HA ALA 77 -4.371 8.971 -5.998 603 HB1 ALA 77 3HB ALA 77 -6.073 7.613 -4.667 604 HB2 ALA 77 1HB ALA 77 -7.271 8.129 -5.855 605 HB3 ALA 77 2HB ALA 77 -6.441 9.327 -4.863 606 H ILE 78 H ILE 78 -3.843 6.760 -5.241 607 HA ILE 78 HA ILE 78 -4.216 4.683 -7.366 608 HB ILE 78 HB ILE 78 -1.677 5.357 -5.860 609 HG12 ILE 78 2HG1 ILE 78 -2.239 5.318 -8.839 610 HG13 ILE 78 3HG1 ILE 78 -2.336 6.778 -7.856 611 HG21 ILE 78 1HG2 ILE 78 -2.420 3.039 -7.666 612 HG22 ILE 78 2HG2 ILE 78 -1.766 2.970 -6.031 613 HG23 ILE 78 3HG2 ILE 78 -0.746 3.505 -7.367 614 HD11 ILE 78 3HD1 ILE 78 0.049 6.309 -7.119 615 HD12 ILE 78 1HD1 ILE 78 -0.138 6.745 -8.818 616 HD13 ILE 78 2HD1 ILE 78 0.103 5.059 -8.361 617 H GLU 79 H GLU 79 -4.292 2.531 -6.597 618 HA GLU 79 HA GLU 79 -4.551 2.229 -3.623 619 HB2 GLU 79 2HB GLU 79 -6.759 2.266 -4.745 620 HB3 GLU 79 3HB GLU 79 -6.254 0.918 -5.760 621 HG2 GLU 79 2HG GLU 79 -5.923 -0.479 -3.753 622 HG3 GLU 79 3HG GLU 79 -6.408 0.871 -2.730 623 H ALA 80 H ALA 80 -3.926 0.199 -2.795 624 HA ALA 80 HA ALA 80 -2.658 -1.712 -4.683 625 HB1 ALA 80 3HB ALA 80 -0.975 -0.016 -3.688 626 HB2 ALA 80 1HB ALA 80 -0.583 -1.730 -3.571 627 HB3 ALA 80 2HB ALA 80 -1.226 -0.876 -2.167 628 H THR 81 H THR 81 -2.723 -3.845 -3.959 629 HA THR 81 HA THR 81 -4.127 -4.313 -1.348 630 HB THR 81 HB THR 81 -4.427 -5.850 -3.941 631 HG1 THR 81 HG1 THR 81 -5.441 -3.692 -3.631 632 HG21 THR 81 3HG2 THR 81 -4.648 -7.326 -2.032 633 HG22 THR 81 1HG2 THR 81 -6.257 -6.991 -2.663 634 HG23 THR 81 2HG2 THR 81 -5.693 -6.172 -1.208 635 H VAL 82 H VAL 82 -3.156 -5.739 -0.002 636 HA VAL 82 HA VAL 82 -0.785 -7.258 -1.034 637 HB VAL 82 HB VAL 82 -1.431 -6.151 1.709 638 HG11 VAL 82 1HG1 VAL 82 -0.435 -8.270 2.146 639 HG12 VAL 82 2HG1 VAL 82 0.891 -7.113 2.245 640 HG13 VAL 82 3HG1 VAL 82 0.692 -8.104 0.800 641 HG21 VAL 82 3HG2 VAL 82 0.711 -4.940 1.328 642 HG22 VAL 82 1HG2 VAL 82 -0.498 -4.545 0.106 643 HG23 VAL 82 2HG2 VAL 82 0.811 -5.663 -0.277 644 H ILE 83 H ILE 83 -0.904 -9.428 -0.966 645 HA ILE 83 HA ILE 83 -3.274 -10.688 0.317 646 HB ILE 83 HB ILE 83 -1.244 -11.893 -1.583 647 HG12 ILE 83 2HG1 ILE 83 -2.360 -10.055 -2.712 648 HG13 ILE 83 3HG1 ILE 83 -3.050 -11.565 -3.299 649 HG21 ILE 83 1HG2 ILE 83 -4.030 -12.769 -0.774 650 HG22 ILE 83 2HG2 ILE 83 -2.528 -13.507 -0.217 651 HG23 ILE 83 3HG2 ILE 83 -2.978 -13.601 -1.920 652 HD11 ILE 83 3HD1 ILE 83 -4.824 -11.204 -1.405 653 HD12 ILE 83 1HD1 ILE 83 -4.957 -10.257 -2.883 654 HD13 ILE 83 2HD1 ILE 83 -4.261 -9.536 -1.434 655 H LEU 84 H LEU 84 -3.038 -11.693 2.208 656 HA LEU 84 HA LEU 84 -0.301 -12.380 3.169 657 HB2 LEU 84 2HB LEU 84 -2.926 -12.268 4.685 658 HB3 LEU 84 3HB LEU 84 -1.321 -12.465 5.388 659 HG LEU 84 HG LEU 84 -2.249 -10.054 3.794 660 HD11 LEU 84 1HD1 LEU 84 -1.985 -8.922 6.055 661 HD12 LEU 84 2HD1 LEU 84 -1.878 -10.534 6.759 662 HD13 LEU 84 3HD1 LEU 84 -3.349 -10.032 5.927 663 HD21 LEU 84 3HD2 LEU 84 0.376 -10.852 5.054 664 HD22 LEU 84 1HD2 LEU 84 -0.050 -9.146 4.924 665 HD23 LEU 84 2HD2 LEU 84 0.080 -10.132 3.472 666 H ASN 85 H ASN 85 -0.186 -14.288 1.807 667 HA ASN 85 HA ASN 85 -2.090 -16.480 2.384 668 HB2 ASN 85 2HB ASN 85 0.269 -16.229 0.494 669 HB3 ASN 85 3HB ASN 85 -0.689 -17.701 0.669 670 HD21 ASN 85 1HD2 ASN 85 -3.225 -16.080 1.096 671 HD22 ASN 85 2HD2 ASN 85 -3.641 -15.509 -0.445 672 H SER 86 H SER 86 0.356 -15.219 4.043 673 HA SER 86 HA SER 86 1.215 -17.879 5.094 674 HB2 SER 86 2HB SER 86 2.913 -16.477 3.533 675 HB3 SER 86 3HB SER 86 3.268 -15.708 5.076 676 HG SER 86 HG SER 86 4.543 -17.446 5.125 677 H GLN 87 H GLN 87 1.393 -17.958 7.283 678 HA GLN 87 HA GLN 87 0.001 -16.001 8.836 679 HB2 GLN 87 2HB GLN 87 1.834 -17.856 10.285 680 HB3 GLN 87 3HB GLN 87 0.122 -17.546 10.536 681 HG2 GLN 87 2HG GLN 87 1.380 -19.303 8.411 682 HG3 GLN 87 3HG GLN 87 0.303 -19.795 9.713 683 HE21 GLN 87 1HE2 GLN 87 -1.644 -17.680 9.478 684 HE22 GLN 87 2HE2 GLN 87 -2.457 -17.880 8.001 685 HA PRO 88 HA PRO 88 4.559 -14.904 10.378 686 HB2 PRO 88 2HB PRO 88 5.857 -15.131 7.686 687 HB3 PRO 88 3HB PRO 88 6.516 -15.516 9.291 688 HG2 PRO 88 2HG PRO 88 5.796 -17.454 7.646 689 HG3 PRO 88 3HG PRO 88 5.432 -17.569 9.380 690 HD2 PRO 88 2HD PRO 88 3.587 -16.843 7.118 691 HD3 PRO 88 3HD PRO 88 3.277 -17.878 8.525 692 H GLU 89 H GLU 89 3.393 -14.183 7.115 693 HA GLU 89 HA GLU 89 4.344 -11.460 7.041 694 HB2 GLU 89 2HB GLU 89 2.160 -12.887 5.502 695 HB3 GLU 89 3HB GLU 89 2.697 -11.244 5.148 696 HG2 GLU 89 2HG GLU 89 4.970 -12.045 4.722 697 HG3 GLU 89 3HG GLU 89 4.494 -13.686 5.160 698 H TRP 90 H TRP 90 1.409 -13.007 8.201 699 HA TRP 90 HA TRP 90 -0.228 -10.691 8.439 700 HB2 TRP 90 2HB TRP 90 -0.253 -13.457 9.359 701 HB3 TRP 90 3HB TRP 90 -0.840 -12.400 10.638 702 HD1 TRP 90 HD1 TRP 90 -1.997 -14.198 7.696 703 HE1 TRP 90 HE1 TRP 90 -4.287 -13.311 6.907 704 HE3 TRP 90 HE3 TRP 90 -2.221 -9.861 10.373 705 HZ2 TRP 90 HZ2 TRP 90 -5.990 -11.049 7.361 706 HZ3 TRP 90 HZ3 TRP 90 -4.179 -8.358 10.176 707 HH2 TRP 90 HH2 TRP 90 -6.062 -8.946 8.673 708 H ASP 91 H ASP 91 2.003 -12.173 10.783 709 HA ASP 91 HA ASP 91 1.564 -10.248 12.856 710 HB2 ASP 91 2HB ASP 91 3.891 -12.066 12.212 711 HB3 ASP 91 3HB ASP 91 3.840 -11.057 13.656 712 H ARG 92 H ARG 92 3.997 -10.442 10.274 713 HA ARG 92 HA ARG 92 5.406 -8.047 11.009 714 HB2 ARG 92 2HB ARG 92 6.321 -9.813 9.498 715 HB3 ARG 92 3HB ARG 92 5.155 -9.317 8.270 716 HG2 ARG 92 2HG ARG 92 6.126 -7.020 8.316 717 HG3 ARG 92 3HG ARG 92 7.333 -7.580 9.470 718 HD2 ARG 92 2HD ARG 92 6.925 -8.710 6.688 719 HD3 ARG 92 3HD ARG 92 8.199 -7.585 7.147 720 HE ARG 92 HE ARG 92 8.091 -10.444 7.824 721 HH11 ARG 92 1HH2 ARG 92 9.428 -7.319 8.436 722 HH12 ARG 92 2HH2 ARG 92 10.863 -7.940 9.181 723 HH21 ARG 92 1HH1 ARG 92 9.952 -11.259 8.783 724 HH22 ARG 92 2HH1 ARG 92 11.161 -10.168 9.376 725 H PHE 93 H PHE 93 2.736 -8.694 8.778 726 HA PHE 93 HA PHE 93 2.536 -6.106 7.617 727 HB2 PHE 93 2HB PHE 93 1.321 -8.146 6.826 728 HB3 PHE 93 3HB PHE 93 0.269 -8.018 8.235 729 HD1 PHE 93 HD2 PHE 93 1.304 -6.377 5.087 730 HD2 PHE 93 HD1 PHE 93 -1.451 -6.335 8.381 731 HE1 PHE 93 HE2 PHE 93 -0.099 -4.723 3.891 732 HE2 PHE 93 HE1 PHE 93 -2.859 -4.680 7.182 733 HZ PHE 93 HZ PHE 93 -2.179 -3.873 4.939 734 H MET 94 H MET 94 0.975 -7.453 10.518 735 HA MET 94 HA MET 94 -0.575 -5.139 11.162 736 HB2 MET 94 2HB MET 94 0.517 -7.432 12.792 737 HB3 MET 94 3HB MET 94 -0.455 -6.160 13.528 738 HG2 MET 94 2HG MET 94 -1.344 -7.812 11.148 739 HG3 MET 94 3HG MET 94 -1.785 -8.174 12.813 740 HE1 MET 94 3HE MET 94 -2.416 -4.973 14.035 741 HE2 MET 94 1HE MET 94 -2.689 -6.690 14.359 742 HE3 MET 94 2HE MET 94 -4.052 -5.626 14.033 743 H ARG 95 H ARG 95 2.697 -6.131 12.134 744 HA ARG 95 HA ARG 95 3.152 -3.956 13.950 745 HB2 ARG 95 2HB ARG 95 4.528 -6.025 13.877 746 HB3 ARG 95 3HB ARG 95 5.164 -5.521 12.313 747 HG2 ARG 95 2HG ARG 95 6.105 -3.486 13.333 748 HG3 ARG 95 3HG ARG 95 5.449 -3.960 14.899 749 HD2 ARG 95 2HD ARG 95 7.414 -5.638 13.311 750 HD3 ARG 95 3HD ARG 95 7.879 -4.536 14.606 751 HE ARG 95 HE ARG 95 5.873 -6.269 15.620 752 HH11 ARG 95 1HH2 ARG 95 9.121 -6.312 14.448 753 HH12 ARG 95 2HH2 ARG 95 9.585 -7.674 15.413 754 HH21 ARG 95 1HH1 ARG 95 6.468 -8.037 16.878 755 HH22 ARG 95 2HH1 ARG 95 8.085 -8.649 16.787 756 H PHE 96 H PHE 96 3.916 -4.367 10.496 757 HA PHE 96 HA PHE 96 5.269 -1.875 10.156 758 HB2 PHE 96 2HB PHE 96 5.443 -3.584 8.460 759 HB3 PHE 96 3HB PHE 96 3.697 -3.594 8.223 760 HD1 PHE 96 HD1 PHE 96 6.640 -1.278 8.083 761 HD2 PHE 96 HD2 PHE 96 2.753 -2.255 6.537 762 HE1 PHE 96 HE1 PHE 96 6.860 0.516 6.385 763 HE2 PHE 96 HE2 PHE 96 2.977 -0.459 4.843 764 HZ PHE 96 HZ PHE 96 5.031 0.926 4.769 765 H MET 97 H MET 97 1.866 -2.742 9.534 766 HA MET 97 HA MET 97 1.079 -0.073 8.799 767 HB2 MET 97 2HB MET 97 -0.237 -2.054 8.165 768 HB3 MET 97 3HB MET 97 -0.580 -2.370 9.865 769 HG2 MET 97 2HG MET 97 -1.271 0.325 8.725 770 HG3 MET 97 3HG MET 97 -2.334 -1.045 8.406 771 HE1 MET 97 3HE MET 97 -2.927 -2.679 10.024 772 HE2 MET 97 1HE MET 97 -4.343 -1.653 10.293 773 HE3 MET 97 2HE MET 97 -3.478 -2.346 11.663 774 H GLU 98 H GLU 98 0.944 -1.883 11.844 775 HA GLU 98 HA GLU 98 -0.453 0.131 13.335 776 HB2 GLU 98 2HB GLU 98 -0.235 -2.232 14.069 777 HB3 GLU 98 3HB GLU 98 1.491 -1.970 14.330 778 HG2 GLU 98 2HG GLU 98 1.010 -0.252 16.009 779 HG3 GLU 98 3HG GLU 98 -0.720 -0.424 15.719 780 H ARG 99 H ARG 99 3.032 -0.632 13.117 781 HA ARG 99 HA ARG 99 3.860 1.535 14.814 782 HB2 ARG 99 2HB ARG 99 5.284 -0.075 12.693 783 HB3 ARG 99 3HB ARG 99 6.103 1.132 13.678 784 HG2 ARG 99 2HG ARG 99 4.473 -1.003 15.042 785 HG3 ARG 99 3HG ARG 99 6.075 -1.408 14.431 786 HD2 ARG 99 2HD ARG 99 5.485 0.887 16.332 787 HD3 ARG 99 3HD ARG 99 6.145 -0.676 16.807 788 HE ARG 99 HE ARG 99 7.790 0.392 14.748 789 HH11 ARG 99 1HH2 ARG 99 6.843 0.981 18.015 790 HH12 ARG 99 2HH2 ARG 99 8.349 1.716 18.452 791 HH21 ARG 99 1HH1 ARG 99 9.752 1.348 15.308 792 HH22 ARG 99 2HH1 ARG 99 9.994 1.923 16.923 793 H TYR 100 H TYR 100 3.614 1.222 11.289 794 HA TYR 100 HA TYR 100 4.719 3.754 10.611 795 HB2 TYR 100 2HB TYR 100 4.328 1.991 8.952 796 HB3 TYR 100 3HB TYR 100 2.588 2.121 9.208 797 HD1 TYR 100 HD2 TYR 100 5.564 3.738 7.778 798 HD2 TYR 100 HD1 TYR 100 1.322 4.044 8.381 799 HE1 TYR 100 HE2 TYR 100 5.457 5.567 6.108 800 HE2 TYR 100 HE1 TYR 100 1.214 5.873 6.707 801 HH TYR 100 HH TYR 100 3.773 6.584 4.601 802 H GLY 101 H GLY 101 1.285 2.818 10.967 803 HA2 GLY 101 2HA GLY 101 0.398 5.582 10.722 804 HA3 GLY 101 3HA GLY 101 -0.620 4.198 11.147 805 H ALA 102 H ALA 102 1.084 3.392 13.433 806 HA ALA 102 HA ALA 102 -0.179 4.735 15.546 807 HB1 ALA 102 3HB ALA 102 1.976 4.085 16.874 808 HB2 ALA 102 1HB ALA 102 2.487 3.335 15.363 809 HB3 ALA 102 2HB ALA 102 1.014 2.788 16.167 810 H GLU 103 H GLU 103 3.032 5.435 14.158 811 HA GLU 103 HA GLU 103 3.380 7.863 15.710 812 HB2 GLU 103 2HB GLU 103 4.737 6.776 13.236 813 HB3 GLU 103 3HB GLU 103 5.237 8.272 14.027 814 HG2 GLU 103 2HG GLU 103 5.660 7.053 16.111 815 HG3 GLU 103 3HG GLU 103 5.081 5.559 15.376 816 H ASN 104 H ASN 104 2.147 7.100 12.491 817 HA ASN 104 HA ASN 104 1.005 8.381 10.923 818 HB2 ASN 104 2HB ASN 104 0.036 9.193 13.559 819 HB3 ASN 104 3HB ASN 104 -0.099 10.520 12.411 820 HD21 ASN 104 1HD2 ASN 104 -0.342 7.078 11.507 821 HD22 ASN 104 2HD2 ASN 104 -1.977 7.145 11.056 822 H GLY 105 H GLY 105 0.979 10.368 9.760 823 HA2 GLY 105 2HA GLY 105 1.838 12.465 9.071 824 HA3 GLY 105 3HA GLY 105 2.817 12.517 10.537 825 H LEU 106 H LEU 106 3.047 9.526 8.935 826 HA LEU 106 HA LEU 106 5.839 10.047 8.289 827 HB2 LEU 106 2HB LEU 106 3.982 7.695 8.147 828 HB3 LEU 106 3HB LEU 106 5.524 7.616 7.292 829 HG LEU 106 HG LEU 106 6.726 8.114 9.360 830 HD11 LEU 106 1HD1 LEU 106 5.181 9.569 10.485 831 HD12 LEU 106 2HD1 LEU 106 5.404 8.159 11.510 832 HD13 LEU 106 3HD1 LEU 106 3.946 8.311 10.534 833 HD21 LEU 106 3HD2 LEU 106 5.972 6.076 10.704 834 HD22 LEU 106 1HD2 LEU 106 6.359 5.776 9.010 835 HD23 LEU 106 2HD2 LEU 106 4.675 5.897 9.523 836 H GLY 107 H GLY 107 6.771 10.347 6.336 837 HA2 GLY 107 2HA GLY 107 5.273 9.982 3.838 838 HA3 GLY 107 3HA GLY 107 5.677 11.656 4.230 839 H PHE 108 H PHE 108 8.175 11.641 5.176 840 HA PHE 108 HA PHE 108 9.768 10.537 2.909 841 HB2 PHE 108 2HB PHE 108 10.265 12.740 4.914 842 HB3 PHE 108 3HB PHE 108 11.554 12.098 3.895 843 HD1 PHE 108 HD1 PHE 108 11.061 11.958 1.337 844 HD2 PHE 108 HD2 PHE 108 8.859 14.436 4.069 845 HE1 PHE 108 HE1 PHE 108 10.282 13.352 -0.558 846 HE2 PHE 108 HE2 PHE 108 8.080 15.832 2.171 847 HZ PHE 108 HZ PHE 108 8.792 15.290 -0.142 848 H SER 109 H SER 109 10.831 8.711 3.230 849 HA SER 109 HA SER 109 11.530 7.848 5.996 850 HB2 SER 109 2HB SER 109 11.991 5.648 4.791 851 HB3 SER 109 3HB SER 109 10.308 6.171 4.809 852 HG SER 109 HG SER 109 12.120 5.999 2.718 853 H LYS 110 H LYS 110 13.368 6.188 3.775 854 HA LYS 110 HA LYS 110 15.708 8.045 4.033 855 HB2 LYS 110 2HB LYS 110 15.763 6.137 5.678 856 HB3 LYS 110 3HB LYS 110 15.778 5.028 4.306 857 HG2 LYS 110 2HG LYS 110 17.861 5.990 3.491 858 HG3 LYS 110 3HG LYS 110 17.831 7.209 4.767 859 HD2 LYS 110 2HD LYS 110 17.964 5.410 6.471 860 HD3 LYS 110 3HD LYS 110 18.046 4.210 5.179 861 HE2 LYS 110 2HE LYS 110 20.025 6.483 5.518 862 HE3 LYS 110 3HE LYS 110 20.298 4.838 6.092 863 HZ1 LYS 110 3HZ LYS 110 19.447 4.895 3.370 864 HZ2 LYS 110 1HZ LYS 110 20.815 4.163 4.057 865 HZ3 LYS 110 2HZ LYS 110 20.867 5.799 3.599 866 H SER 111 H SER 111 13.841 5.882 2.072 867 HA SER 111 HA SER 111 15.801 5.277 0.068 868 HB2 SER 111 2HB SER 111 13.785 4.894 -1.403 869 HB3 SER 111 3HB SER 111 13.768 3.999 0.114 870 HG SER 111 HG SER 111 11.881 4.938 0.295 871 H GLU 112 H GLU 112 15.963 6.178 -2.081 872 HA GLU 112 HA GLU 112 16.178 7.919 -3.623 873 HB2 GLU 112 2HB GLU 112 13.660 8.079 -3.285 874 HB3 GLU 112 3HB GLU 112 13.981 9.340 -2.095 875 HG2 GLU 112 2HG GLU 112 15.144 10.681 -3.772 876 HG3 GLU 112 3HG GLU 112 14.896 9.416 -4.978 877 H LEU 113 H LEU 113 15.746 8.998 -0.274 878 HA LEU 113 HA LEU 113 17.229 11.432 -0.508 879 HB2 LEU 113 2HB LEU 113 16.671 9.595 1.836 880 HB3 LEU 113 3HB LEU 113 17.443 11.168 2.005 881 HG LEU 113 HG LEU 113 14.763 10.809 0.638 882 HD11 LEU 113 1HD1 LEU 113 14.588 9.965 2.944 883 HD12 LEU 113 2HD1 LEU 113 13.724 11.495 2.772 884 HD13 LEU 113 3HD1 LEU 113 15.305 11.459 3.552 885 HD21 LEU 113 3HD2 LEU 113 14.605 13.270 1.500 886 HD22 LEU 113 1HD2 LEU 113 15.622 12.947 0.100 887 HD23 LEU 113 2HD2 LEU 113 16.352 13.159 1.689 888 H GLU 114 H GLU 114 18.162 8.126 0.360 889 HA GLU 114 HA GLU 114 20.888 8.715 0.987 890 HB2 GLU 114 2HB GLU 114 21.223 6.228 0.439 891 HB3 GLU 114 3HB GLU 114 20.068 6.607 1.716 892 HG2 GLU 114 2HG GLU 114 18.207 6.389 0.133 893 HG3 GLU 114 3HG GLU 114 19.341 6.077 -1.181 894 H HIS 115 H HIS 115 22.603 9.101 -0.305 895 HA HIS 115 HA HIS 115 22.220 8.950 -3.264 896 HB2 HIS 115 2HB HIS 115 24.015 10.574 -3.400 897 HB3 HIS 115 3HB HIS 115 22.857 11.141 -2.197 898 HD1 HIS 115 HD1 HIS 115 23.519 10.528 0.385 899 HD2 HIS 115 HD2 HIS 115 26.597 10.316 -2.419 900 HE1 HIS 115 HE1 HIS 115 25.687 10.568 1.695 901 H HIS 116 H HIS 116 23.703 7.366 -0.674 902 HA HIS 116 HA HIS 116 25.453 5.804 -0.524 903 HB2 HIS 116 2HB HIS 116 24.187 5.158 -3.195 904 HB3 HIS 116 3HB HIS 116 25.370 4.119 -2.401 905 HD1 HIS 116 HD1 HIS 116 24.660 3.497 0.214 906 HD2 HIS 116 HD2 HIS 116 21.601 4.620 -2.386 907 HE1 HIS 116 HE1 HIS 116 22.499 2.690 1.258 908 H HIS 117 H HIS 117 27.120 4.625 -2.293 909 HA HIS 117 HA HIS 117 29.227 4.950 -3.229 910 HB2 HIS 117 2HB HIS 117 27.711 5.444 -5.170 911 HB3 HIS 117 3HB HIS 117 27.846 7.159 -4.775 912 HD1 HIS 117 HD1 HIS 117 29.947 8.359 -5.525 913 HD2 HIS 117 HD2 HIS 117 30.266 4.223 -5.932 914 HE1 HIS 117 HE1 HIS 117 32.103 7.927 -6.780 915 H HIS 118 H HIS 118 29.063 6.151 -0.779 916 HA HIS 118 HA HIS 118 29.810 8.934 -0.775 917 HB2 HIS 118 2HB HIS 118 30.351 8.597 1.549 918 HB3 HIS 118 3HB HIS 118 28.925 7.620 1.204 919 HD1 HIS 118 HD1 HIS 118 32.376 7.384 2.438 920 HD2 HIS 118 HD2 HIS 118 29.573 4.757 0.816 921 HE1 HIS 118 HE1 HIS 118 33.193 5.047 2.971 922 H HIS 119 H HIS 119 31.670 5.909 -0.777 923 HA HIS 119 HA HIS 119 34.239 7.240 -0.605 924 HB2 HIS 119 2HB HIS 119 33.708 4.823 0.051 925 HB3 HIS 119 3HB HIS 119 33.753 4.457 -1.672 926 HD1 HIS 119 HD1 HIS 119 36.049 4.442 -2.834 927 HD2 HIS 119 HD2 HIS 119 36.248 5.600 1.165 928 HE1 HIS 119 HE1 HIS 119 38.505 4.474 -2.219 929 H HIS 120 H HIS 120 35.917 6.659 -2.391 930 HA HIS 120 HA HIS 120 36.695 7.111 -4.541 931 HB2 HIS 120 2HB HIS 120 33.968 6.062 -5.369 932 HB3 HIS 120 3HB HIS 120 35.376 6.231 -6.415 933 HD1 HIS 120 HD1 HIS 120 37.571 4.809 -5.558 934 HD2 HIS 120 HD2 HIS 120 33.861 3.617 -4.073 935 HE1 HIS 120 HE1 HIS 120 37.877 2.458 -4.667 Start of MODEL 9 1 H1 MET 1 1H MET 1 12.640 4.860 8.787 2 H2 MET 1 2H MET 1 11.847 3.730 7.795 3 H3 MET 1 3H MET 1 11.719 3.619 9.485 4 HA MET 1 HA MET 1 10.434 5.598 9.617 5 HB2 MET 1 2HB MET 1 11.658 6.819 7.841 6 HB3 MET 1 3HB MET 1 10.912 5.788 6.622 7 HG2 MET 1 2HG MET 1 8.689 6.597 7.258 8 HG3 MET 1 3HG MET 1 9.390 7.574 8.548 9 HE1 MET 1 3HE MET 1 10.809 10.606 7.029 10 HE2 MET 1 1HE MET 1 11.249 9.312 8.153 11 HE3 MET 1 2HE MET 1 9.644 10.034 8.221 12 H ALA 2 H ALA 2 10.514 2.904 7.471 13 HA ALA 2 HA ALA 2 8.877 1.403 6.743 14 HB1 ALA 2 3HB ALA 2 7.146 2.457 8.981 15 HB2 ALA 2 1HB ALA 2 8.540 1.423 9.289 16 HB3 ALA 2 2HB ALA 2 7.199 0.827 8.311 17 H GLU 3 H GLU 3 8.096 2.038 4.796 18 HA GLU 3 HA GLU 3 5.555 3.516 4.763 19 HB2 GLU 3 2HB GLU 3 6.345 5.245 3.210 20 HB3 GLU 3 3HB GLU 3 7.224 5.326 4.736 21 HG2 GLU 3 2HG GLU 3 9.077 4.013 3.716 22 HG3 GLU 3 3HG GLU 3 8.211 4.016 2.179 23 H ILE 4 H ILE 4 4.647 3.628 2.556 24 HA ILE 4 HA ILE 4 5.401 1.209 0.963 25 HB ILE 4 HB ILE 4 2.793 2.759 1.052 26 HG12 ILE 4 2HG1 ILE 4 2.192 0.259 1.979 27 HG13 ILE 4 3HG1 ILE 4 3.851 0.391 2.562 28 HG21 ILE 4 1HG2 ILE 4 3.765 0.406 -0.558 29 HG22 ILE 4 2HG2 ILE 4 2.841 1.812 -1.086 30 HG23 ILE 4 3HG2 ILE 4 2.055 0.544 -0.147 31 HD11 ILE 4 3HD1 ILE 4 3.256 2.571 3.623 32 HD12 ILE 4 1HD1 ILE 4 2.325 1.218 4.265 33 HD13 ILE 4 2HD1 ILE 4 1.586 2.328 3.111 34 H GLN 5 H GLN 5 6.217 1.506 -1.016 35 HA GLN 5 HA GLN 5 5.519 3.923 -2.574 36 HB2 GLN 5 2HB GLN 5 8.023 4.276 -3.051 37 HB3 GLN 5 3HB GLN 5 7.422 4.824 -1.486 38 HG2 GLN 5 2HG GLN 5 8.211 2.732 -0.443 39 HG3 GLN 5 3HG GLN 5 8.806 2.175 -2.007 40 HE21 GLN 5 1HE2 GLN 5 10.879 2.239 -0.412 41 HE22 GLN 5 2HE2 GLN 5 11.789 3.668 -0.508 42 H PHE 6 H PHE 6 5.320 3.404 -4.663 43 HA PHE 6 HA PHE 6 5.605 0.714 -5.606 44 HB2 PHE 6 2HB PHE 6 5.397 3.325 -7.142 45 HB3 PHE 6 3HB PHE 6 5.184 1.721 -7.847 46 HD1 PHE 6 HD1 PHE 6 3.321 0.239 -7.007 47 HD2 PHE 6 HD2 PHE 6 3.638 4.384 -5.928 48 HE1 PHE 6 HE1 PHE 6 0.951 0.231 -6.285 49 HE2 PHE 6 HE2 PHE 6 1.265 4.376 -5.207 50 HZ PHE 6 HZ PHE 6 -0.079 2.300 -5.385 51 H SER 7 H SER 7 7.582 3.629 -6.027 52 HA SER 7 HA SER 7 9.834 1.895 -7.006 53 HB2 SER 7 2HB SER 7 9.098 4.735 -7.740 54 HB3 SER 7 3HB SER 7 10.651 4.004 -8.138 55 HG SER 7 HG SER 7 8.405 2.505 -8.749 56 H LYS 8 H LYS 8 11.405 1.753 -5.577 57 HA LYS 8 HA LYS 8 11.536 3.294 -3.168 58 HB2 LYS 8 2HB LYS 8 13.575 2.082 -2.721 59 HB3 LYS 8 3HB LYS 8 12.425 0.970 -3.462 60 HG2 LYS 8 2HG LYS 8 13.526 1.476 -5.694 61 HG3 LYS 8 3HG LYS 8 14.776 2.342 -4.801 62 HD2 LYS 8 2HD LYS 8 14.032 -0.549 -4.273 63 HD3 LYS 8 3HD LYS 8 15.364 -0.058 -5.318 64 HE2 LYS 8 2HE LYS 8 16.222 1.295 -3.300 65 HE3 LYS 8 3HE LYS 8 15.073 0.365 -2.340 66 HZ1 LYS 8 3HZ LYS 8 16.383 -1.398 -2.394 67 HZ2 LYS 8 1HZ LYS 8 17.596 -0.407 -3.041 68 HZ3 LYS 8 2HZ LYS 8 16.590 -1.302 -4.076 69 H GLY 9 H GLY 9 12.691 5.059 -2.631 70 HA2 GLY 9 2HA GLY 9 14.574 6.587 -2.866 71 HA3 GLY 9 3HA GLY 9 14.641 6.203 -4.589 72 H VAL 10 H VAL 10 11.511 6.344 -4.310 73 HA VAL 10 HA VAL 10 11.267 9.329 -4.353 74 HB VAL 10 HB VAL 10 9.709 9.050 -6.307 75 HG11 VAL 10 1HG1 VAL 10 11.527 8.819 -7.949 76 HG12 VAL 10 2HG1 VAL 10 12.566 8.117 -6.707 77 HG13 VAL 10 3HG1 VAL 10 12.045 9.798 -6.577 78 HG21 VAL 10 3HG2 VAL 10 9.262 6.628 -5.981 79 HG22 VAL 10 1HG2 VAL 10 10.943 6.277 -6.386 80 HG23 VAL 10 2HG2 VAL 10 9.867 6.966 -7.603 81 H ALA 11 H ALA 11 9.003 10.036 -4.210 82 HA ALA 11 HA ALA 11 6.997 10.108 -3.020 83 HB1 ALA 11 3HB ALA 11 6.196 8.512 -4.625 84 HB2 ALA 11 1HB ALA 11 5.667 7.950 -3.041 85 HB3 ALA 11 2HB ALA 11 7.045 7.188 -3.833 86 H GLU 12 H GLU 12 9.075 10.175 -1.357 87 HA GLU 12 HA GLU 12 9.042 8.035 0.615 88 HB2 GLU 12 2HB GLU 12 10.514 9.513 1.924 89 HB3 GLU 12 3HB GLU 12 11.062 9.406 0.253 90 HG2 GLU 12 2HG GLU 12 9.917 11.551 -0.248 91 HG3 GLU 12 3HG GLU 12 9.416 11.666 1.439 92 H THR 13 H THR 13 8.719 8.743 2.988 93 HA THR 13 HA THR 13 7.162 9.255 4.652 94 HB THR 13 HB THR 13 6.231 11.518 4.616 95 HG1 THR 13 HG1 THR 13 6.901 12.732 2.607 96 HG21 THR 13 3HG2 THR 13 8.471 11.581 5.300 97 HG22 THR 13 1HG2 THR 13 8.425 12.767 3.996 98 HG23 THR 13 2HG2 THR 13 9.076 11.153 3.699 99 H VAL 14 H VAL 14 5.246 10.923 2.272 100 HA VAL 14 HA VAL 14 3.092 10.589 1.501 101 HB VAL 14 HB VAL 14 3.579 7.624 1.661 102 HG11 VAL 14 1HG1 VAL 14 1.414 8.724 0.790 103 HG12 VAL 14 2HG1 VAL 14 2.189 7.559 -0.283 104 HG13 VAL 14 3HG1 VAL 14 2.384 9.288 -0.567 105 HG21 VAL 14 3HG2 VAL 14 5.650 8.324 0.775 106 HG22 VAL 14 1HG2 VAL 14 4.918 9.648 -0.132 107 HG23 VAL 14 2HG2 VAL 14 4.677 7.980 -0.653 108 H VAL 15 H VAL 15 0.972 9.904 2.135 109 HA VAL 15 HA VAL 15 0.760 8.735 4.877 110 HB VAL 15 HB VAL 15 -0.893 11.084 3.932 111 HG11 VAL 15 1HG1 VAL 15 -1.398 11.258 6.338 112 HG12 VAL 15 2HG1 VAL 15 -0.338 9.885 6.663 113 HG13 VAL 15 3HG1 VAL 15 -1.816 9.655 5.730 114 HG21 VAL 15 3HG2 VAL 15 0.594 12.394 5.536 115 HG22 VAL 15 1HG2 VAL 15 1.376 11.902 4.032 116 HG23 VAL 15 2HG2 VAL 15 1.691 11.013 5.523 117 HA PRO 16 HA PRO 16 -2.251 6.890 1.818 118 HB2 PRO 16 2HB PRO 16 -1.289 4.361 1.735 119 HB3 PRO 16 3HB PRO 16 -0.595 5.662 0.748 120 HG2 PRO 16 2HG PRO 16 0.413 4.488 3.300 121 HG3 PRO 16 3HG PRO 16 1.315 4.985 1.857 122 HD2 PRO 16 2HD PRO 16 1.079 6.536 4.156 123 HD3 PRO 16 3HD PRO 16 1.435 7.187 2.544 124 H GLU 17 H GLU 17 -4.080 5.720 2.426 125 HA GLU 17 HA GLU 17 -4.306 5.097 5.305 126 HB2 GLU 17 2HB GLU 17 -6.079 6.383 4.072 127 HB3 GLU 17 3HB GLU 17 -6.423 4.925 3.142 128 HG2 GLU 17 2HG GLU 17 -7.992 5.014 4.980 129 HG3 GLU 17 3HG GLU 17 -6.838 3.727 5.327 130 H VAL 18 H VAL 18 -4.853 3.068 6.110 131 HA VAL 18 HA VAL 18 -4.440 0.765 4.225 132 HB VAL 18 HB VAL 18 -3.719 1.079 7.153 133 HG11 VAL 18 1HG1 VAL 18 -4.484 -1.166 6.916 134 HG12 VAL 18 2HG1 VAL 18 -2.728 -1.254 6.777 135 HG13 VAL 18 3HG1 VAL 18 -3.733 -1.331 5.330 136 HG21 VAL 18 3HG2 VAL 18 -2.048 2.099 5.802 137 HG22 VAL 18 1HG2 VAL 18 -2.151 0.834 4.578 138 HG23 VAL 18 2HG2 VAL 18 -1.424 0.487 6.146 139 H ARG 19 H ARG 19 -6.052 -0.651 4.093 140 HA ARG 19 HA ARG 19 -8.128 -0.747 6.249 141 HB2 ARG 19 2HB ARG 19 -8.614 -0.653 3.254 142 HB3 ARG 19 3HB ARG 19 -9.854 -0.965 4.470 143 HG2 ARG 19 2HG ARG 19 -9.426 1.223 5.500 144 HG3 ARG 19 3HG ARG 19 -8.150 1.541 4.326 145 HD2 ARG 19 2HD ARG 19 -11.041 1.014 3.568 146 HD3 ARG 19 3HD ARG 19 -10.352 2.623 3.755 147 HE ARG 19 HE ARG 19 -8.688 1.220 1.952 148 HH11 ARG 19 1HH2 ARG 19 -11.937 2.393 2.213 149 HH12 ARG 19 2HH2 ARG 19 -12.123 2.615 0.506 150 HH21 ARG 19 1HH1 ARG 19 -8.936 1.508 -0.269 151 HH22 ARG 19 2HH1 ARG 19 -10.432 2.115 -0.893 152 H LEU 20 H LEU 20 -8.976 -2.790 6.601 153 HA LEU 20 HA LEU 20 -7.524 -5.044 5.272 154 HB2 LEU 20 2HB LEU 20 -9.057 -4.998 7.886 155 HB3 LEU 20 3HB LEU 20 -8.117 -6.351 7.259 156 HG LEU 20 HG LEU 20 -7.004 -3.615 7.959 157 HD11 LEU 20 1HD1 LEU 20 -6.618 -6.289 9.339 158 HD12 LEU 20 2HD1 LEU 20 -7.693 -5.017 9.918 159 HD13 LEU 20 3HD1 LEU 20 -5.954 -4.737 9.849 160 HD21 LEU 20 3HD2 LEU 20 -5.567 -4.418 6.286 161 HD22 LEU 20 1HD2 LEU 20 -5.821 -6.105 6.735 162 HD23 LEU 20 2HD2 LEU 20 -4.813 -5.064 7.738 163 H SER 21 H SER 21 -8.631 -6.698 4.338 164 HA SER 21 HA SER 21 -11.577 -6.797 4.474 165 HB2 SER 21 2HB SER 21 -11.688 -6.810 1.934 166 HB3 SER 21 3HB SER 21 -11.362 -5.243 2.668 167 HG SER 21 HG SER 21 -9.911 -5.599 0.996 168 H LYS 22 H LYS 22 -12.401 -8.734 3.346 169 HA LYS 22 HA LYS 22 -10.358 -10.927 3.255 170 HB2 LYS 22 2HB LYS 22 -11.940 -11.096 5.154 171 HB3 LYS 22 3HB LYS 22 -13.286 -11.109 4.012 172 HG2 LYS 22 2HG LYS 22 -12.409 -13.162 2.980 173 HG3 LYS 22 3HG LYS 22 -11.027 -13.134 4.075 174 HD2 LYS 22 2HD LYS 22 -12.554 -13.340 6.005 175 HD3 LYS 22 3HD LYS 22 -13.932 -13.387 4.904 176 HE2 LYS 22 2HE LYS 22 -13.052 -15.431 3.859 177 HE3 LYS 22 3HE LYS 22 -11.645 -15.380 4.922 178 HZ1 LYS 22 3HZ LYS 22 -14.464 -15.909 5.617 179 HZ2 LYS 22 1HZ LYS 22 -13.367 -15.368 6.793 180 HZ3 LYS 22 2HZ LYS 22 -13.086 -16.833 5.981 181 H SER 23 H SER 23 -10.261 -12.136 1.466 182 HA SER 23 HA SER 23 -11.520 -11.288 -0.957 183 HB2 SER 23 2HB SER 23 -9.357 -12.484 -0.870 184 HB3 SER 23 3HB SER 23 -10.187 -13.932 -0.310 185 HG SER 23 HG SER 23 -11.269 -12.795 -2.564 186 H LYS 24 H LYS 24 -13.370 -11.942 -1.938 187 HA LYS 24 HA LYS 24 -15.248 -13.606 -0.412 188 HB2 LYS 24 2HB LYS 24 -15.480 -12.198 -3.089 189 HB3 LYS 24 3HB LYS 24 -16.805 -13.050 -2.296 190 HG2 LYS 24 2HG LYS 24 -16.597 -11.559 -0.342 191 HG3 LYS 24 3HG LYS 24 -15.270 -10.706 -1.129 192 HD2 LYS 24 2HD LYS 24 -16.817 -10.120 -3.003 193 HD3 LYS 24 3HD LYS 24 -18.136 -10.872 -2.106 194 HE2 LYS 24 2HE LYS 24 -16.445 -8.547 -1.140 195 HE3 LYS 24 3HE LYS 24 -18.104 -8.438 -1.723 196 HZ1 LYS 24 3HZ LYS 24 -18.528 -10.214 0.095 197 HZ2 LYS 24 1HZ LYS 24 -18.400 -8.580 0.535 198 HZ3 LYS 24 2HZ LYS 24 -17.082 -9.626 0.765 199 H ASN 25 H ASN 25 -12.903 -14.061 -2.841 200 HA ASN 25 HA ASN 25 -14.196 -16.501 -3.937 201 HB2 ASN 25 2HB ASN 25 -11.576 -15.118 -4.593 202 HB3 ASN 25 3HB ASN 25 -12.178 -16.558 -5.416 203 HD21 ASN 25 1HD2 ASN 25 -15.044 -15.504 -5.143 204 HD22 ASN 25 2HD2 ASN 25 -15.170 -14.314 -6.343 205 H GLY 26 H GLY 26 -12.691 -15.821 -1.183 206 HA2 GLY 26 2HA GLY 26 -11.819 -17.305 0.442 207 HA3 GLY 26 3HA GLY 26 -11.788 -18.580 -0.778 208 H GLN 27 H GLN 27 -10.349 -15.658 -1.781 209 HA GLN 27 HA GLN 27 -7.734 -16.912 -1.972 210 HB2 GLN 27 2HB GLN 27 -8.777 -15.139 -3.547 211 HB3 GLN 27 3HB GLN 27 -8.283 -13.961 -2.334 212 HG2 GLN 27 2HG GLN 27 -5.956 -14.679 -2.530 213 HG3 GLN 27 3HG GLN 27 -6.418 -15.951 -3.658 214 HE21 GLN 27 1HE2 GLN 27 -4.549 -13.874 -4.364 215 HE22 GLN 27 2HE2 GLN 27 -5.257 -12.929 -5.582 216 H SER 28 H SER 28 -8.631 -16.840 0.684 217 HA SER 28 HA SER 28 -7.873 -16.329 2.831 218 HB2 SER 28 2HB SER 28 -5.700 -16.975 1.714 219 HB3 SER 28 3HB SER 28 -5.410 -15.261 1.439 220 HG SER 28 HG SER 28 -4.760 -15.164 3.419 221 H GLY 29 H GLY 29 -6.727 -14.406 4.086 222 HA2 GLY 29 2HA GLY 29 -8.473 -12.146 3.800 223 HA3 GLY 29 3HA GLY 29 -7.106 -12.245 4.902 224 H MET 30 H MET 30 -7.822 -9.930 3.358 225 HA MET 30 HA MET 30 -5.247 -9.568 1.939 226 HB2 MET 30 2HB MET 30 -6.155 -8.895 -0.118 227 HB3 MET 30 3HB MET 30 -7.126 -10.301 0.307 228 HG2 MET 30 2HG MET 30 -8.750 -8.591 1.396 229 HG3 MET 30 3HG MET 30 -7.881 -7.381 0.447 230 HE1 MET 30 3HE MET 30 -10.928 -7.543 -0.171 231 HE2 MET 30 1HE MET 30 -10.733 -7.419 -1.924 232 HE3 MET 30 2HE MET 30 -9.640 -6.553 -0.850 233 H ALA 31 H ALA 31 -4.712 -7.341 1.607 234 HA ALA 31 HA ALA 31 -6.212 -5.444 3.389 235 HB1 ALA 31 3HB ALA 31 -3.995 -4.332 3.717 236 HB2 ALA 31 1HB ALA 31 -3.244 -5.645 2.813 237 HB3 ALA 31 2HB ALA 31 -4.041 -5.978 4.351 238 H LYS 32 H LYS 32 -6.637 -3.438 2.566 239 HA LYS 32 HA LYS 32 -5.946 -2.995 -0.317 240 HB2 LYS 32 2HB LYS 32 -8.415 -3.231 0.588 241 HB3 LYS 32 3HB LYS 32 -8.188 -1.556 1.089 242 HG2 LYS 32 2HG LYS 32 -7.623 -0.910 -1.197 243 HG3 LYS 32 3HG LYS 32 -7.713 -2.591 -1.725 244 HD2 LYS 32 2HD LYS 32 -10.026 -1.044 -0.531 245 HD3 LYS 32 3HD LYS 32 -9.775 -1.293 -2.258 246 HE2 LYS 32 2HE LYS 32 -11.157 -3.105 -1.849 247 HE3 LYS 32 3HE LYS 32 -9.621 -3.872 -1.448 248 HZ1 LYS 32 3HZ LYS 32 -10.267 -4.086 0.644 249 HZ2 LYS 32 1HZ LYS 32 -11.801 -3.505 0.210 250 HZ3 LYS 32 2HZ LYS 32 -10.613 -2.427 0.772 251 H PHE 33 H PHE 33 -4.847 -1.210 -0.860 252 HA PHE 33 HA PHE 33 -4.233 0.789 1.293 253 HB2 PHE 33 2HB PHE 33 -2.631 -0.197 -1.074 254 HB3 PHE 33 3HB PHE 33 -2.193 1.248 -0.159 255 HD1 PHE 33 HD1 PHE 33 -2.627 -2.424 0.018 256 HD2 PHE 33 HD2 PHE 33 -1.332 1.109 2.089 257 HE1 PHE 33 HE1 PHE 33 -1.568 -3.835 1.764 258 HE2 PHE 33 HE2 PHE 33 -0.268 -0.302 3.830 259 HZ PHE 33 HZ PHE 33 -0.391 -2.767 3.670 260 H TYR 34 H TYR 34 -4.425 2.944 0.824 261 HA TYR 34 HA TYR 34 -5.483 3.708 -1.877 262 HB2 TYR 34 2HB TYR 34 -7.350 3.558 -0.268 263 HB3 TYR 34 3HB TYR 34 -6.507 4.674 0.809 264 HD1 TYR 34 HD2 TYR 34 -7.880 4.346 -2.647 265 HD2 TYR 34 HD1 TYR 34 -6.696 7.013 0.503 266 HE1 TYR 34 HE2 TYR 34 -8.811 6.262 -3.919 267 HE2 TYR 34 HE1 TYR 34 -7.626 8.928 -0.767 268 HH TYR 34 HH TYR 34 -9.733 8.625 -3.267 269 H PHE 35 H PHE 35 -4.296 5.281 -2.744 270 HA PHE 35 HA PHE 35 -2.581 6.981 -0.961 271 HB2 PHE 35 2HB PHE 35 -2.223 6.301 -3.896 272 HB3 PHE 35 3HB PHE 35 -1.105 7.226 -2.892 273 HD1 PHE 35 HD1 PHE 35 -2.763 3.897 -3.202 274 HD2 PHE 35 HD2 PHE 35 0.495 6.137 -1.524 275 HE1 PHE 35 HE1 PHE 35 -1.734 1.796 -2.396 276 HE2 PHE 35 HE2 PHE 35 1.526 4.032 -0.717 277 HZ PHE 35 HZ PHE 35 0.409 1.862 -1.150 278 H LEU 36 H LEU 36 -3.279 8.995 -0.749 279 HA LEU 36 HA LEU 36 -5.193 10.119 -2.702 280 HB2 LEU 36 2HB LEU 36 -5.764 10.289 -0.333 281 HB3 LEU 36 3HB LEU 36 -4.241 11.111 0.001 282 HG LEU 36 HG LEU 36 -4.913 13.008 -1.387 283 HD11 LEU 36 1HD1 LEU 36 -6.214 12.164 -3.141 284 HD12 LEU 36 2HD1 LEU 36 -7.441 12.928 -2.136 285 HD13 LEU 36 3HD1 LEU 36 -7.210 11.180 -2.071 286 HD21 LEU 36 3HD2 LEU 36 -7.245 12.274 0.399 287 HD22 LEU 36 1HD2 LEU 36 -6.634 13.887 0.028 288 HD23 LEU 36 2HD2 LEU 36 -5.681 12.793 1.030 289 H GLU 37 H GLU 37 -4.480 11.320 -4.299 290 HA GLU 37 HA GLU 37 -2.980 12.522 -5.655 291 HB2 GLU 37 2HB GLU 37 -3.284 14.154 -3.128 292 HB3 GLU 37 3HB GLU 37 -2.434 14.767 -4.550 293 HG2 GLU 37 2HG GLU 37 -4.402 14.545 -5.921 294 HG3 GLU 37 3HG GLU 37 -5.256 13.668 -4.653 295 HA PRO 38 HA PRO 38 0.830 11.089 -3.294 296 HB2 PRO 38 2HB PRO 38 1.502 8.995 -4.948 297 HB3 PRO 38 3HB PRO 38 0.462 8.823 -3.521 298 HG2 PRO 38 2HG PRO 38 -0.300 9.034 -6.398 299 HG3 PRO 38 3HG PRO 38 -0.991 8.017 -5.123 300 HD2 PRO 38 2HD PRO 38 -2.174 10.345 -5.975 301 HD3 PRO 38 3HD PRO 38 -2.351 9.714 -4.323 302 H THR 39 H THR 39 2.945 11.562 -3.951 303 HA THR 39 HA THR 39 3.215 13.384 -6.175 304 HB THR 39 HB THR 39 5.650 13.345 -5.536 305 HG1 THR 39 HG1 THR 39 6.352 11.838 -4.258 306 HG21 THR 39 3HG2 THR 39 4.277 14.950 -4.422 307 HG22 THR 39 1HG2 THR 39 5.230 14.168 -3.160 308 HG23 THR 39 2HG2 THR 39 3.542 13.716 -3.400 309 H ILE 40 H ILE 40 3.496 9.970 -5.898 310 HA ILE 40 HA ILE 40 5.458 9.471 -7.914 311 HB ILE 40 HB ILE 40 4.338 7.840 -6.213 312 HG12 ILE 40 2HG1 ILE 40 4.558 5.929 -8.061 313 HG13 ILE 40 3HG1 ILE 40 5.175 7.254 -9.049 314 HG21 ILE 40 1HG2 ILE 40 2.402 6.657 -6.909 315 HG22 ILE 40 2HG2 ILE 40 2.476 7.327 -8.538 316 HG23 ILE 40 3HG2 ILE 40 2.018 8.356 -7.181 317 HD11 ILE 40 3HD1 ILE 40 6.891 7.741 -7.361 318 HD12 ILE 40 1HD1 ILE 40 6.990 6.049 -7.846 319 HD13 ILE 40 2HD1 ILE 40 6.237 6.485 -6.312 320 H LEU 41 H LEU 41 2.699 11.158 -8.280 321 HA LEU 41 HA LEU 41 1.969 10.069 -10.953 322 HB2 LEU 41 2HB LEU 41 0.791 12.362 -9.349 323 HB3 LEU 41 3HB LEU 41 0.124 11.706 -10.844 324 HG LEU 41 HG LEU 41 0.503 10.150 -8.270 325 HD11 LEU 41 1HD1 LEU 41 -1.911 11.450 -9.545 326 HD12 LEU 41 2HD1 LEU 41 -1.296 11.672 -7.907 327 HD13 LEU 41 3HD1 LEU 41 -2.060 10.150 -8.364 328 HD21 LEU 41 3HD2 LEU 41 -0.441 9.430 -11.039 329 HD22 LEU 41 1HD2 LEU 41 -1.145 8.596 -9.651 330 HD23 LEU 41 2HD2 LEU 41 0.590 8.515 -9.939 331 H ALA 42 H ALA 42 3.861 12.526 -9.481 332 HA ALA 42 HA ALA 42 3.967 14.159 -11.972 333 HB1 ALA 42 3HB ALA 42 3.772 15.345 -9.809 334 HB2 ALA 42 1HB ALA 42 5.308 15.720 -10.594 335 HB3 ALA 42 2HB ALA 42 5.258 14.573 -9.256 336 H LYS 43 H LYS 43 5.702 11.728 -10.248 337 HA LYS 43 HA LYS 43 8.236 12.268 -11.715 338 HB2 LYS 43 2HB LYS 43 7.485 10.288 -9.551 339 HB3 LYS 43 3HB LYS 43 9.063 10.306 -10.338 340 HG2 LYS 43 2HG LYS 43 9.398 12.640 -9.618 341 HG3 LYS 43 3HG LYS 43 7.819 12.625 -8.831 342 HD2 LYS 43 2HD LYS 43 8.568 10.795 -7.355 343 HD3 LYS 43 3HD LYS 43 10.150 10.811 -8.136 344 HE2 LYS 43 2HE LYS 43 10.482 13.152 -7.424 345 HE3 LYS 43 3HE LYS 43 8.901 13.138 -6.643 346 HZ1 LYS 43 3HZ LYS 43 9.876 12.311 -4.853 347 HZ2 LYS 43 1HZ LYS 43 11.369 12.199 -5.650 348 HZ3 LYS 43 2HZ LYS 43 10.268 10.907 -5.726 349 H GLU 44 H GLU 44 6.620 9.191 -10.953 350 HA GLU 44 HA GLU 44 7.165 8.292 -13.752 351 HB2 GLU 44 2HB GLU 44 6.509 6.735 -11.238 352 HB3 GLU 44 3HB GLU 44 6.758 6.013 -12.825 353 HG2 GLU 44 2HG GLU 44 8.871 5.838 -11.768 354 HG3 GLU 44 3HG GLU 44 9.030 7.231 -12.834 355 H SER 45 H SER 45 5.543 7.591 -15.071 356 HA SER 45 HA SER 45 2.881 8.575 -14.607 357 HB2 SER 45 2HB SER 45 3.776 8.389 -16.866 358 HB3 SER 45 3HB SER 45 3.944 6.645 -16.685 359 HG SER 45 HG SER 45 1.848 7.978 -17.530 360 H THR 46 H THR 46 0.939 7.311 -14.490 361 HA THR 46 HA THR 46 1.019 5.241 -12.512 362 HB THR 46 HB THR 46 -1.418 4.980 -13.090 363 HG1 THR 46 HG1 THR 46 -2.093 5.745 -14.913 364 HG21 THR 46 3HG2 THR 46 -1.969 7.441 -12.595 365 HG22 THR 46 1HG2 THR 46 -0.226 7.715 -12.622 366 HG23 THR 46 2HG2 THR 46 -0.929 6.612 -11.438 367 H ASP 47 H ASP 47 0.892 5.195 -16.024 368 HA ASP 47 HA ASP 47 0.279 2.374 -16.286 369 HB2 ASP 47 2HB ASP 47 1.526 4.402 -18.162 370 HB3 ASP 47 3HB ASP 47 1.206 2.734 -18.636 371 H ASP 48 H ASP 48 3.104 4.130 -15.457 372 HA ASP 48 HA ASP 48 4.986 2.041 -16.330 373 HB2 ASP 48 2HB ASP 48 5.595 4.471 -16.324 374 HB3 ASP 48 3HB ASP 48 5.449 4.467 -14.567 375 H ILE 49 H ILE 49 2.889 2.461 -13.738 376 HA ILE 49 HA ILE 49 4.635 1.127 -11.747 377 HB ILE 49 HB ILE 49 1.767 2.100 -11.578 378 HG12 ILE 49 2HG1 ILE 49 4.282 3.159 -10.249 379 HG13 ILE 49 3HG1 ILE 49 3.629 3.820 -11.746 380 HG21 ILE 49 1HG2 ILE 49 3.606 0.813 -9.545 381 HG22 ILE 49 2HG2 ILE 49 2.004 0.271 -10.042 382 HG23 ILE 49 3HG2 ILE 49 2.179 1.744 -9.089 383 HD11 ILE 49 3HD1 ILE 49 1.431 4.150 -10.497 384 HD12 ILE 49 1HD1 ILE 49 2.761 5.184 -9.975 385 HD13 ILE 49 2HD1 ILE 49 2.314 3.769 -9.020 386 H THR 50 H THR 50 4.633 -1.016 -11.458 387 HA THR 50 HA THR 50 2.246 -2.641 -12.063 388 HB THR 50 HB THR 50 3.257 -2.734 -14.226 389 HG1 THR 50 HG1 THR 50 4.489 -4.967 -13.738 390 HG21 THR 50 3HG2 THR 50 5.857 -3.066 -12.717 391 HG22 THR 50 1HG2 THR 50 5.405 -1.761 -13.815 392 HG23 THR 50 2HG2 THR 50 5.703 -3.380 -14.445 393 H GLY 51 H GLY 51 3.767 -1.908 -9.672 394 HA2 GLY 51 2HA GLY 51 3.892 -4.451 -8.406 395 HA3 GLY 51 3HA GLY 51 5.537 -3.969 -8.811 396 H MET 52 H MET 52 4.008 -4.221 -6.196 397 HA MET 52 HA MET 52 4.441 -1.433 -5.162 398 HB2 MET 52 2HB MET 52 2.124 -2.237 -4.920 399 HB3 MET 52 3HB MET 52 2.705 -3.657 -4.049 400 HG2 MET 52 2HG MET 52 3.597 -2.267 -2.268 401 HG3 MET 52 3HG MET 52 3.213 -0.804 -3.169 402 HE1 MET 52 3HE MET 52 -0.303 -0.029 -2.583 403 HE2 MET 52 1HE MET 52 0.575 -0.420 -4.065 404 HE3 MET 52 2HE MET 52 1.358 0.515 -2.794 405 H TYR 53 H TYR 53 5.972 -1.162 -3.650 406 HA TYR 53 HA TYR 53 7.326 -3.593 -2.520 407 HB2 TYR 53 2HB TYR 53 8.370 -0.817 -3.132 408 HB3 TYR 53 3HB TYR 53 9.274 -2.015 -2.204 409 HD1 TYR 53 HD1 TYR 53 7.591 -1.442 -5.490 410 HD2 TYR 53 HD2 TYR 53 10.476 -3.742 -3.290 411 HE1 TYR 53 HE1 TYR 53 8.351 -2.506 -7.598 412 HE2 TYR 53 HE2 TYR 53 11.234 -4.805 -5.397 413 HH TYR 53 HH TYR 53 9.611 -4.970 -8.060 414 H LEU 54 H LEU 54 6.936 -3.903 -0.439 415 HA LEU 54 HA LEU 54 5.976 -1.646 1.257 416 HB2 LEU 54 2HB LEU 54 6.015 -4.625 1.834 417 HB3 LEU 54 3HB LEU 54 5.202 -3.383 2.786 418 HG LEU 54 HG LEU 54 4.576 -4.075 -0.101 419 HD11 LEU 54 1HD1 LEU 54 2.374 -4.802 0.946 420 HD12 LEU 54 2HD1 LEU 54 3.180 -4.695 2.511 421 HD13 LEU 54 3HD1 LEU 54 3.757 -5.838 1.300 422 HD21 LEU 54 3HD2 LEU 54 4.002 -1.815 0.087 423 HD22 LEU 54 1HD2 LEU 54 3.598 -1.947 1.798 424 HD23 LEU 54 2HD2 LEU 54 2.500 -2.591 0.576 425 H ILE 55 H ILE 55 7.352 -0.728 2.642 426 HA ILE 55 HA ILE 55 9.925 -2.137 3.272 427 HB ILE 55 HB ILE 55 9.162 0.799 3.327 428 HG12 ILE 55 2HG1 ILE 55 11.022 0.899 1.618 429 HG13 ILE 55 3HG1 ILE 55 11.060 -0.860 1.638 430 HG21 ILE 55 1HG2 ILE 55 11.626 -0.664 4.288 431 HG22 ILE 55 2HG2 ILE 55 10.648 0.518 5.157 432 HG23 ILE 55 3HG2 ILE 55 11.677 1.039 3.823 433 HD11 ILE 55 3HD1 ILE 55 9.562 0.546 -0.114 434 HD12 ILE 55 1HD1 ILE 55 8.383 0.378 1.187 435 HD13 ILE 55 2HD1 ILE 55 9.109 -1.056 0.458 436 H ASP 56 H ASP 56 10.168 -2.873 5.279 437 HA ASP 56 HA ASP 56 8.570 -1.664 7.511 438 HB2 ASP 56 2HB ASP 56 7.731 -3.933 6.790 439 HB3 ASP 56 3HB ASP 56 9.305 -4.597 7.224 440 H ASP 57 H ASP 57 11.431 -1.493 6.327 441 HA ASP 57 HA ASP 57 13.564 -1.099 7.217 442 HB2 ASP 57 2HB ASP 57 12.051 0.008 9.008 443 HB3 ASP 57 3HB ASP 57 12.374 -1.430 9.974 444 H GLU 58 H GLU 58 12.041 -3.424 9.478 445 HA GLU 58 HA GLU 58 14.461 -5.010 9.687 446 HB2 GLU 58 2HB GLU 58 11.589 -5.519 10.516 447 HB3 GLU 58 3HB GLU 58 12.909 -6.639 10.865 448 HG2 GLU 58 2HG GLU 58 14.095 -4.896 12.110 449 HG3 GLU 58 3HG GLU 58 12.839 -3.725 11.708 450 H GLY 59 H GLY 59 12.343 -4.642 7.195 451 HA2 GLY 59 2HA GLY 59 13.367 -6.655 5.558 452 HA3 GLY 59 3HA GLY 59 11.972 -7.390 6.349 453 H GLU 60 H GLU 60 11.746 -7.191 3.700 454 HA GLU 60 HA GLU 60 9.669 -5.095 3.369 455 HB2 GLU 60 2HB GLU 60 10.554 -4.377 1.206 456 HB3 GLU 60 3HB GLU 60 11.761 -4.113 2.463 457 HG2 GLU 60 2HG GLU 60 12.869 -6.246 1.827 458 HG3 GLU 60 3HG GLU 60 11.686 -6.456 0.533 459 H ILE 61 H ILE 61 8.101 -5.631 1.861 460 HA ILE 61 HA ILE 61 8.228 -8.407 0.726 461 HB ILE 61 HB ILE 61 5.856 -6.955 1.932 462 HG12 ILE 61 2HG1 ILE 61 7.150 -9.581 2.721 463 HG13 ILE 61 3HG1 ILE 61 7.554 -8.041 3.481 464 HG21 ILE 61 1HG2 ILE 61 6.107 -9.538 0.377 465 HG22 ILE 61 2HG2 ILE 61 5.036 -8.173 0.054 466 HG23 ILE 61 3HG2 ILE 61 4.743 -9.212 1.449 467 HD11 ILE 61 3HD1 ILE 61 4.683 -8.949 3.295 468 HD12 ILE 61 1HD1 ILE 61 5.407 -7.796 4.416 469 HD13 ILE 61 2HD1 ILE 61 5.726 -9.521 4.596 470 H ILE 62 H ILE 62 7.789 -8.553 -1.388 471 HA ILE 62 HA ILE 62 6.910 -6.080 -2.834 472 HB ILE 62 HB ILE 62 8.366 -8.520 -3.896 473 HG12 ILE 62 2HG1 ILE 62 10.149 -6.474 -4.136 474 HG13 ILE 62 3HG1 ILE 62 9.299 -5.930 -2.691 475 HG21 ILE 62 1HG2 ILE 62 8.731 -7.021 -5.867 476 HG22 ILE 62 2HG2 ILE 62 7.653 -5.841 -5.123 477 HG23 ILE 62 3HG2 ILE 62 7.034 -7.422 -5.606 478 HD11 ILE 62 3HD1 ILE 62 10.869 -8.464 -3.113 479 HD12 ILE 62 1HD1 ILE 62 9.666 -8.355 -1.831 480 HD13 ILE 62 2HD1 ILE 62 11.045 -7.258 -1.841 481 H THR 63 H THR 63 4.962 -6.108 -3.706 482 HA THR 63 HA THR 63 3.706 -8.706 -4.475 483 HB THR 63 HB THR 63 2.545 -6.553 -2.697 484 HG1 THR 63 HG1 THR 63 2.185 -9.252 -2.254 485 HG21 THR 63 3HG2 THR 63 1.144 -8.648 -4.363 486 HG22 THR 63 1HG2 THR 63 0.802 -6.919 -4.275 487 HG23 THR 63 2HG2 THR 63 0.411 -7.968 -2.910 488 H ARG 64 H ARG 64 1.934 -8.407 -5.982 489 HA ARG 64 HA ARG 64 2.345 -6.047 -7.756 490 HB2 ARG 64 2HB ARG 64 0.971 -8.692 -8.296 491 HB3 ARG 64 3HB ARG 64 1.296 -7.436 -9.486 492 HG2 ARG 64 2HG ARG 64 3.522 -8.697 -7.883 493 HG3 ARG 64 3HG ARG 64 2.939 -9.431 -9.377 494 HD2 ARG 64 2HD ARG 64 3.361 -7.248 -10.544 495 HD3 ARG 64 3HD ARG 64 4.095 -6.647 -9.064 496 HE ARG 64 HE ARG 64 5.243 -8.679 -10.857 497 HH11 ARG 64 1HH2 ARG 64 5.297 -7.005 -7.825 498 HH12 ARG 64 2HH2 ARG 64 6.958 -7.383 -7.513 499 HH21 ARG 64 1HH1 ARG 64 7.387 -9.165 -10.453 500 HH22 ARG 64 2HH1 ARG 64 8.138 -8.606 -8.996 501 H GLU 65 H GLU 65 -0.438 -7.579 -8.554 502 HA GLU 65 HA GLU 65 -2.607 -6.650 -8.666 503 HB2 GLU 65 2HB GLU 65 -2.142 -7.119 -5.707 504 HB3 GLU 65 3HB GLU 65 -3.729 -6.844 -6.428 505 HG2 GLU 65 2HG GLU 65 -1.837 -9.077 -7.232 506 HG3 GLU 65 3HG GLU 65 -3.211 -9.274 -6.146 507 H VAL 66 H VAL 66 -1.822 -4.541 -9.382 508 HA VAL 66 HA VAL 66 -2.289 -2.410 -7.315 509 HB VAL 66 HB VAL 66 -0.377 -2.327 -9.670 510 HG11 VAL 66 1HG1 VAL 66 0.301 -0.161 -8.496 511 HG12 VAL 66 2HG1 VAL 66 -1.189 -0.314 -7.564 512 HG13 VAL 66 3HG1 VAL 66 -1.261 -0.133 -9.316 513 HG21 VAL 66 3HG2 VAL 66 0.627 -3.668 -7.974 514 HG22 VAL 66 1HG2 VAL 66 -0.008 -2.649 -6.682 515 HG23 VAL 66 2HG2 VAL 66 1.288 -2.053 -7.720 516 H LYS 67 H LYS 67 -3.847 -1.000 -7.831 517 HA LYS 67 HA LYS 67 -4.815 -0.872 -10.669 518 HB2 LYS 67 2HB LYS 67 -6.451 -1.019 -8.127 519 HB3 LYS 67 3HB LYS 67 -7.117 -0.613 -9.709 520 HG2 LYS 67 2HG LYS 67 -6.356 -2.765 -10.607 521 HG3 LYS 67 3HG LYS 67 -5.636 -3.176 -9.049 522 HD2 LYS 67 2HD LYS 67 -7.882 -3.010 -7.995 523 HD3 LYS 67 3HD LYS 67 -8.580 -2.685 -9.582 524 HE2 LYS 67 2HE LYS 67 -6.974 -5.168 -8.933 525 HE3 LYS 67 3HE LYS 67 -8.735 -5.098 -8.870 526 HZ1 LYS 67 3HZ LYS 67 -8.421 -4.133 -11.261 527 HZ2 LYS 67 1HZ LYS 67 -8.412 -5.810 -10.997 528 HZ3 LYS 67 2HZ LYS 67 -6.946 -4.973 -11.189 529 H GLY 68 H GLY 68 -5.226 1.143 -11.406 530 HA2 GLY 68 2HA GLY 68 -4.625 3.425 -9.576 531 HA3 GLY 68 3HA GLY 68 -4.491 3.464 -11.331 532 H LYS 69 H LYS 69 -6.177 4.869 -9.088 533 HA LYS 69 HA LYS 69 -8.875 4.539 -10.321 534 HB2 LYS 69 2HB LYS 69 -7.901 5.802 -7.753 535 HB3 LYS 69 3HB LYS 69 -9.537 6.062 -8.360 536 HG2 LYS 69 2HG LYS 69 -9.920 3.625 -8.383 537 HG3 LYS 69 3HG LYS 69 -8.285 3.359 -7.781 538 HD2 LYS 69 2HD LYS 69 -8.813 4.598 -5.731 539 HD3 LYS 69 3HD LYS 69 -10.438 4.931 -6.335 540 HE2 LYS 69 2HE LYS 69 -9.347 2.132 -5.944 541 HE3 LYS 69 3HE LYS 69 -10.303 2.981 -4.731 542 HZ1 LYS 69 3HZ LYS 69 -11.141 2.283 -7.493 543 HZ2 LYS 69 1HZ LYS 69 -12.054 3.239 -6.429 544 HZ3 LYS 69 2HZ LYS 69 -11.735 1.614 -6.048 545 H PHE 70 H PHE 70 -9.054 5.784 -12.077 546 HA PHE 70 HA PHE 70 -7.810 8.497 -12.112 547 HB2 PHE 70 2HB PHE 70 -9.078 6.949 -14.389 548 HB3 PHE 70 3HB PHE 70 -8.104 8.413 -14.515 549 HD1 PHE 70 HD2 PHE 70 -5.673 8.359 -14.061 550 HD2 PHE 70 HD1 PHE 70 -8.061 4.788 -14.000 551 HE1 PHE 70 HE2 PHE 70 -3.618 6.974 -14.177 552 HE2 PHE 70 HE1 PHE 70 -6.003 3.411 -14.115 553 HZ PHE 70 HZ PHE 70 -3.780 4.505 -14.203 554 H ILE 71 H ILE 71 -9.025 10.302 -12.480 555 HA ILE 71 HA ILE 71 -12.013 10.021 -12.467 556 HB ILE 71 HB ILE 71 -10.289 12.090 -11.075 557 HG12 ILE 71 2HG1 ILE 71 -12.247 10.059 -9.947 558 HG13 ILE 71 3HG1 ILE 71 -10.501 9.823 -9.986 559 HG21 ILE 71 1HG2 ILE 71 -13.281 11.850 -11.471 560 HG22 ILE 71 2HG2 ILE 71 -12.241 13.203 -11.913 561 HG23 ILE 71 3HG2 ILE 71 -12.563 12.860 -10.215 562 HD11 ILE 71 3HD1 ILE 71 -10.386 12.114 -8.754 563 HD12 ILE 71 1HD1 ILE 71 -10.874 10.694 -7.830 564 HD13 ILE 71 2HD1 ILE 71 -12.092 11.833 -8.403 565 H ASN 72 H ASN 72 -13.046 11.162 -14.025 566 HA ASN 72 HA ASN 72 -11.953 12.004 -16.376 567 HB2 ASN 72 2HB ASN 72 -13.888 13.628 -16.588 568 HB3 ASN 72 3HB ASN 72 -14.334 11.979 -16.163 569 HD21 ASN 72 1HD2 ASN 72 -15.606 11.733 -14.302 570 HD22 ASN 72 2HD2 ASN 72 -15.862 12.947 -13.144 571 H GLY 73 H GLY 73 -9.991 13.034 -16.254 572 HA2 GLY 73 2HA GLY 73 -9.617 15.686 -16.533 573 HA3 GLY 73 3HA GLY 73 -9.730 15.577 -14.775 574 H ARG 74 H ARG 74 -8.316 13.598 -13.923 575 HA ARG 74 HA ARG 74 -5.963 12.848 -15.346 576 HB2 ARG 74 2HB ARG 74 -4.348 14.301 -13.947 577 HB3 ARG 74 3HB ARG 74 -5.186 15.096 -15.278 578 HG2 ARG 74 2HG ARG 74 -6.744 16.141 -13.813 579 HG3 ARG 74 3HG ARG 74 -6.296 15.093 -12.468 580 HD2 ARG 74 2HD ARG 74 -4.328 16.996 -13.759 581 HD3 ARG 74 3HD ARG 74 -5.340 17.466 -12.394 582 HE ARG 74 HE ARG 74 -4.043 15.044 -11.690 583 HH11 ARG 74 1HH2 ARG 74 -3.307 18.343 -12.439 584 HH12 ARG 74 2HH2 ARG 74 -1.882 18.376 -11.456 585 HH21 ARG 74 1HH1 ARG 74 -2.193 15.087 -10.415 586 HH22 ARG 74 2HH1 ARG 74 -1.254 16.538 -10.311 587 HA PRO 75 HA PRO 75 -5.595 9.810 -12.114 588 HB2 PRO 75 2HB PRO 75 -2.807 10.891 -11.760 589 HB3 PRO 75 3HB PRO 75 -3.350 9.205 -11.898 590 HG2 PRO 75 2HG PRO 75 -2.247 10.563 -13.968 591 HG3 PRO 75 3HG PRO 75 -3.448 9.283 -14.186 592 HD2 PRO 75 2HD PRO 75 -3.749 12.170 -14.654 593 HD3 PRO 75 3HD PRO 75 -4.815 10.840 -15.154 594 H THR 76 H THR 76 -6.596 10.202 -10.197 595 HA THR 76 HA THR 76 -5.712 12.539 -8.539 596 HB THR 76 HB THR 76 -8.330 11.021 -8.444 597 HG1 THR 76 HG1 THR 76 -7.728 13.557 -9.557 598 HG21 THR 76 3HG2 THR 76 -7.266 13.505 -7.094 599 HG22 THR 76 1HG2 THR 76 -7.945 12.063 -6.344 600 HG23 THR 76 2HG2 THR 76 -8.992 13.176 -7.221 601 H ALA 77 H ALA 77 -6.402 9.047 -8.471 602 HA ALA 77 HA ALA 77 -4.782 8.867 -6.000 603 HB1 ALA 77 3HB ALA 77 -7.623 7.831 -6.008 604 HB2 ALA 77 1HB ALA 77 -7.136 9.345 -5.247 605 HB3 ALA 77 2HB ALA 77 -6.485 7.815 -4.661 606 H ILE 78 H ILE 78 -4.339 6.645 -5.394 607 HA ILE 78 HA ILE 78 -4.733 4.667 -7.610 608 HB ILE 78 HB ILE 78 -2.211 5.214 -6.024 609 HG12 ILE 78 2HG1 ILE 78 -2.713 5.297 -9.013 610 HG13 ILE 78 3HG1 ILE 78 -2.812 6.721 -7.979 611 HG21 ILE 78 1HG2 ILE 78 -2.959 3.001 -7.955 612 HG22 ILE 78 2HG2 ILE 78 -2.387 2.829 -6.295 613 HG23 ILE 78 3HG2 ILE 78 -1.287 3.393 -7.552 614 HD11 ILE 78 3HD1 ILE 78 -0.573 6.366 -9.131 615 HD12 ILE 78 1HD1 ILE 78 -0.359 4.953 -8.100 616 HD13 ILE 78 2HD1 ILE 78 -0.497 6.557 -7.380 617 H GLU 79 H GLU 79 -4.820 2.484 -6.931 618 HA GLU 79 HA GLU 79 -5.062 2.003 -3.991 619 HB2 GLU 79 2HB GLU 79 -7.322 2.435 -4.869 620 HB3 GLU 79 3HB GLU 79 -7.099 1.182 -6.089 621 HG2 GLU 79 2HG GLU 79 -6.831 -0.509 -4.309 622 HG3 GLU 79 3HG GLU 79 -7.034 0.744 -3.086 623 H ALA 80 H ALA 80 -4.735 -0.198 -3.398 624 HA ALA 80 HA ALA 80 -3.950 -2.128 -5.495 625 HB1 ALA 80 3HB ALA 80 -1.719 -2.451 -4.743 626 HB2 ALA 80 1HB ALA 80 -1.983 -1.483 -3.294 627 HB3 ALA 80 2HB ALA 80 -1.905 -0.701 -4.873 628 H THR 81 H THR 81 -3.817 -4.281 -4.663 629 HA THR 81 HA THR 81 -4.977 -4.645 -1.914 630 HB THR 81 HB THR 81 -5.533 -6.305 -4.391 631 HG1 THR 81 HG1 THR 81 -7.708 -5.229 -3.540 632 HG21 THR 81 3HG2 THR 81 -6.708 -6.345 -1.597 633 HG22 THR 81 1HG2 THR 81 -5.647 -7.574 -2.285 634 HG23 THR 81 2HG2 THR 81 -7.261 -7.333 -2.949 635 H VAL 82 H VAL 82 -3.847 -5.969 -0.627 636 HA VAL 82 HA VAL 82 -1.651 -7.627 -1.833 637 HB VAL 82 HB VAL 82 -1.891 -6.296 0.880 638 HG11 VAL 82 1HG1 VAL 82 -0.887 -8.417 1.311 639 HG12 VAL 82 2HG1 VAL 82 0.459 -7.287 1.166 640 HG13 VAL 82 3HG1 VAL 82 0.056 -8.356 -0.177 641 HG21 VAL 82 3HG2 VAL 82 0.253 -6.045 -1.242 642 HG22 VAL 82 1HG2 VAL 82 -0.004 -5.004 0.157 643 HG23 VAL 82 2HG2 VAL 82 -1.151 -4.981 -1.183 644 H ILE 83 H ILE 83 -1.760 -9.770 -1.526 645 HA ILE 83 HA ILE 83 -4.015 -10.853 0.078 646 HB ILE 83 HB ILE 83 -2.143 -12.410 -1.711 647 HG12 ILE 83 2HG1 ILE 83 -3.004 -10.638 -3.112 648 HG13 ILE 83 3HG1 ILE 83 -3.951 -12.084 -3.466 649 HG21 ILE 83 1HG2 ILE 83 -3.855 -14.044 -1.711 650 HG22 ILE 83 2HG2 ILE 83 -5.066 -12.901 -1.127 651 HG23 ILE 83 3HG2 ILE 83 -3.806 -13.482 -0.041 652 HD11 ILE 83 3HD1 ILE 83 -5.602 -11.219 -1.682 653 HD12 ILE 83 1HD1 ILE 83 -5.567 -10.366 -3.225 654 HD13 ILE 83 2HD1 ILE 83 -4.750 -9.683 -1.821 655 H LEU 84 H LEU 84 -3.642 -11.601 2.051 656 HA LEU 84 HA LEU 84 -0.857 -12.384 2.847 657 HB2 LEU 84 2HB LEU 84 -3.195 -11.526 4.581 658 HB3 LEU 84 3HB LEU 84 -1.547 -11.835 5.130 659 HG LEU 84 HG LEU 84 -2.349 -9.702 3.125 660 HD11 LEU 84 1HD1 LEU 84 -1.490 -9.489 6.027 661 HD12 LEU 84 2HD1 LEU 84 -3.103 -9.155 5.397 662 HD13 LEU 84 3HD1 LEU 84 -1.749 -8.124 4.940 663 HD21 LEU 84 3HD2 LEU 84 0.105 -8.967 3.776 664 HD22 LEU 84 1HD2 LEU 84 -0.132 -10.229 2.572 665 HD23 LEU 84 2HD2 LEU 84 0.287 -10.662 4.228 666 H ASN 85 H ASN 85 -0.690 -14.528 2.641 667 HA ASN 85 HA ASN 85 -2.942 -16.281 3.568 668 HB2 ASN 85 2HB ASN 85 -0.715 -16.662 1.559 669 HB3 ASN 85 3HB ASN 85 -1.576 -18.042 2.238 670 HD21 ASN 85 1HD2 ASN 85 -2.209 -14.931 0.538 671 HD22 ASN 85 2HD2 ASN 85 -3.611 -15.479 -0.245 672 H SER 86 H SER 86 0.638 -16.210 3.452 673 HA SER 86 HA SER 86 0.974 -18.233 5.444 674 HB2 SER 86 2HB SER 86 2.658 -17.048 3.709 675 HB3 SER 86 3HB SER 86 3.102 -16.160 5.161 676 HG SER 86 HG SER 86 4.278 -17.894 5.472 677 H GLN 87 H GLN 87 1.414 -18.103 7.627 678 HA GLN 87 HA GLN 87 0.123 -16.000 9.085 679 HB2 GLN 87 2HB GLN 87 1.029 -18.595 9.641 680 HB3 GLN 87 3HB GLN 87 2.035 -17.583 10.675 681 HG2 GLN 87 2HG GLN 87 -0.056 -16.449 11.478 682 HG3 GLN 87 3HG GLN 87 -0.991 -17.630 10.565 683 HE21 GLN 87 1HE2 GLN 87 1.360 -17.338 13.250 684 HE22 GLN 87 2HE2 GLN 87 0.929 -18.802 13.992 685 HA PRO 88 HA PRO 88 4.804 -14.850 10.186 686 HB2 PRO 88 2HB PRO 88 5.860 -15.299 7.412 687 HB3 PRO 88 3HB PRO 88 6.662 -15.552 8.977 688 HG2 PRO 88 2HG PRO 88 5.777 -17.611 7.546 689 HG3 PRO 88 3HG PRO 88 5.643 -17.603 9.315 690 HD2 PRO 88 2HD PRO 88 3.514 -17.133 7.261 691 HD3 PRO 88 3HD PRO 88 3.392 -17.954 8.831 692 H GLU 89 H GLU 89 3.360 -14.384 6.996 693 HA GLU 89 HA GLU 89 4.310 -11.733 6.496 694 HB2 GLU 89 2HB GLU 89 1.817 -13.200 5.595 695 HB3 GLU 89 3HB GLU 89 2.273 -11.610 4.986 696 HG2 GLU 89 2HG GLU 89 4.370 -12.485 4.125 697 HG3 GLU 89 3HG GLU 89 4.048 -14.062 4.845 698 H TRP 90 H TRP 90 1.387 -12.935 8.118 699 HA TRP 90 HA TRP 90 0.169 -10.389 8.571 700 HB2 TRP 90 2HB TRP 90 -0.053 -13.088 9.895 701 HB3 TRP 90 3HB TRP 90 -0.888 -11.699 10.590 702 HD1 TRP 90 HD1 TRP 90 -1.134 -14.229 7.853 703 HE1 TRP 90 HE1 TRP 90 -3.204 -13.738 6.394 704 HE3 TRP 90 HE3 TRP 90 -2.374 -9.597 9.609 705 HZ2 TRP 90 HZ2 TRP 90 -5.132 -11.652 6.023 706 HZ3 TRP 90 HZ3 TRP 90 -4.327 -8.381 8.687 707 HH2 TRP 90 HH2 TRP 90 -5.707 -9.401 6.898 708 H ASP 91 H ASP 91 2.531 -12.235 10.464 709 HA ASP 91 HA ASP 91 2.525 -10.586 12.793 710 HB2 ASP 91 2HB ASP 91 3.699 -12.836 12.476 711 HB3 ASP 91 3HB ASP 91 4.962 -11.950 11.626 712 H ARG 92 H ARG 92 4.534 -10.462 9.869 713 HA ARG 92 HA ARG 92 5.947 -8.056 10.616 714 HB2 ARG 92 2HB ARG 92 6.765 -9.692 8.913 715 HB3 ARG 92 3HB ARG 92 5.444 -9.203 7.852 716 HG2 ARG 92 2HG ARG 92 6.291 -6.894 7.837 717 HG3 ARG 92 3HG ARG 92 7.600 -7.357 8.924 718 HD2 ARG 92 2HD ARG 92 7.146 -8.549 6.175 719 HD3 ARG 92 3HD ARG 92 8.315 -7.281 6.534 720 HE ARG 92 HE ARG 92 8.582 -10.119 7.224 721 HH11 ARG 92 1HH2 ARG 92 9.540 -6.852 7.848 722 HH12 ARG 92 2HH2 ARG 92 11.065 -7.304 8.533 723 HH21 ARG 92 1HH1 ARG 92 10.559 -10.703 8.107 724 HH22 ARG 92 2HH1 ARG 92 11.642 -9.478 8.679 725 H PHE 93 H PHE 93 3.096 -8.720 8.621 726 HA PHE 93 HA PHE 93 2.650 -6.074 7.665 727 HB2 PHE 93 2HB PHE 93 1.511 -8.209 6.890 728 HB3 PHE 93 3HB PHE 93 0.513 -8.106 8.338 729 HD1 PHE 93 HD1 PHE 93 -1.065 -6.230 8.659 730 HD2 PHE 93 HD2 PHE 93 1.210 -6.689 5.047 731 HE1 PHE 93 HE1 PHE 93 -2.552 -4.610 7.514 732 HE2 PHE 93 HE2 PHE 93 -0.280 -5.077 3.900 733 HZ PHE 93 HZ PHE 93 -2.160 -4.032 5.135 734 H MET 94 H MET 94 1.401 -7.722 10.571 735 HA MET 94 HA MET 94 -0.201 -5.536 11.509 736 HB2 MET 94 2HB MET 94 1.084 -7.899 12.889 737 HB3 MET 94 3HB MET 94 0.128 -6.717 13.780 738 HG2 MET 94 2HG MET 94 -1.795 -7.151 12.302 739 HG3 MET 94 3HG MET 94 -0.841 -8.323 11.397 740 HE1 MET 94 3HE MET 94 -3.534 -10.322 13.486 741 HE2 MET 94 1HE MET 94 -2.955 -9.909 11.866 742 HE3 MET 94 2HE MET 94 -3.688 -8.673 12.885 743 H ARG 95 H ARG 95 3.171 -6.434 12.073 744 HA ARG 95 HA ARG 95 3.756 -4.500 14.079 745 HB2 ARG 95 2HB ARG 95 5.225 -6.445 13.317 746 HB3 ARG 95 3HB ARG 95 5.675 -5.442 11.939 747 HG2 ARG 95 2HG ARG 95 7.384 -4.900 13.435 748 HG3 ARG 95 3HG ARG 95 6.212 -3.637 13.806 749 HD2 ARG 95 2HD ARG 95 5.336 -4.983 15.674 750 HD3 ARG 95 3HD ARG 95 6.485 -6.264 15.303 751 HE ARG 95 HE ARG 95 7.110 -3.673 16.567 752 HH11 ARG 95 1HH2 ARG 95 8.208 -6.577 15.033 753 HH12 ARG 95 2HH2 ARG 95 9.803 -6.465 15.695 754 HH21 ARG 95 1HH1 ARG 95 9.175 -3.529 17.421 755 HH22 ARG 95 2HH1 ARG 95 10.351 -4.742 17.041 756 H PHE 96 H PHE 96 3.899 -4.314 10.551 757 HA PHE 96 HA PHE 96 5.072 -1.728 10.337 758 HB2 PHE 96 2HB PHE 96 4.831 -3.219 8.404 759 HB3 PHE 96 3HB PHE 96 3.075 -3.104 8.514 760 HD1 PHE 96 HD2 PHE 96 1.904 -1.024 7.928 761 HD2 PHE 96 HD1 PHE 96 6.169 -1.369 7.562 762 HE1 PHE 96 HE2 PHE 96 1.950 1.035 6.551 763 HE2 PHE 96 HE1 PHE 96 6.215 0.686 6.179 764 HZ PHE 96 HZ PHE 96 4.109 1.891 5.676 765 H MET 97 H MET 97 1.659 -2.713 10.557 766 HA MET 97 HA MET 97 0.544 -0.086 10.303 767 HB2 MET 97 2HB MET 97 -0.439 -2.625 11.615 768 HB3 MET 97 3HB MET 97 -1.410 -1.152 11.592 769 HG2 MET 97 2HG MET 97 -1.301 -1.108 9.131 770 HG3 MET 97 3HG MET 97 -0.304 -2.562 9.145 771 HE1 MET 97 3HE MET 97 -3.624 -1.918 11.554 772 HE2 MET 97 1HE MET 97 -4.689 -1.993 10.145 773 HE3 MET 97 2HE MET 97 -3.364 -0.833 10.192 774 H GLU 98 H GLU 98 1.619 -1.946 13.120 775 HA GLU 98 HA GLU 98 0.772 -0.032 15.101 776 HB2 GLU 98 2HB GLU 98 2.937 -2.155 15.148 777 HB3 GLU 98 3HB GLU 98 2.404 -1.261 16.570 778 HG2 GLU 98 2HG GLU 98 0.591 -2.951 14.821 779 HG3 GLU 98 3HG GLU 98 1.293 -3.491 16.347 780 H ARG 99 H ARG 99 3.900 -0.625 13.504 781 HA ARG 99 HA ARG 99 5.299 1.503 14.838 782 HB2 ARG 99 2HB ARG 99 5.769 0.064 12.214 783 HB3 ARG 99 3HB ARG 99 6.887 1.267 12.853 784 HG2 ARG 99 2HG ARG 99 6.026 -1.013 14.628 785 HG3 ARG 99 3HG ARG 99 7.247 -1.305 13.392 786 HD2 ARG 99 2HD ARG 99 7.440 0.926 15.441 787 HD3 ARG 99 3HD ARG 99 8.205 -0.651 15.631 788 HE ARG 99 HE ARG 99 9.001 0.363 13.111 789 HH11 ARG 99 1HH2 ARG 99 9.276 1.122 16.475 790 HH12 ARG 99 2HH2 ARG 99 10.822 1.884 16.301 791 HH21 ARG 99 1HH1 ARG 99 11.008 1.350 12.885 792 HH22 ARG 99 2HH1 ARG 99 11.800 2.010 14.276 793 H TYR 100 H TYR 100 3.630 1.320 11.718 794 HA TYR 100 HA TYR 100 4.243 3.987 10.872 795 HB2 TYR 100 2HB TYR 100 3.341 2.142 9.406 796 HB3 TYR 100 3HB TYR 100 1.772 2.379 10.176 797 HD1 TYR 100 HD2 TYR 100 0.515 4.482 9.867 798 HD2 TYR 100 HD1 TYR 100 4.248 3.773 7.866 799 HE1 TYR 100 HE2 TYR 100 0.054 6.376 8.334 800 HE2 TYR 100 HE1 TYR 100 3.788 5.667 6.334 801 HH TYR 100 HH TYR 100 2.465 7.463 5.985 802 H GLY 101 H GLY 101 1.505 2.630 12.679 803 HA2 GLY 101 2HA GLY 101 -0.111 4.961 12.816 804 HA3 GLY 101 3HA GLY 101 -0.102 3.677 14.026 805 H ALA 102 H ALA 102 2.570 3.894 14.870 806 HA ALA 102 HA ALA 102 2.380 5.982 16.821 807 HB1 ALA 102 3HB ALA 102 3.743 3.917 17.108 808 HB2 ALA 102 1HB ALA 102 4.699 5.378 17.379 809 HB3 ALA 102 2HB ALA 102 4.843 4.497 15.858 810 H GLU 103 H GLU 103 4.114 5.744 13.738 811 HA GLU 103 HA GLU 103 5.470 8.288 13.979 812 HB2 GLU 103 2HB GLU 103 4.773 6.585 11.571 813 HB3 GLU 103 3HB GLU 103 5.780 8.032 11.488 814 HG2 GLU 103 2HG GLU 103 7.380 7.036 13.057 815 HG3 GLU 103 3HG GLU 103 6.360 5.606 13.214 816 H ASN 104 H ASN 104 2.423 7.246 12.512 817 HA ASN 104 HA ASN 104 1.639 10.136 12.201 818 HB2 ASN 104 2HB ASN 104 1.003 7.755 10.438 819 HB3 ASN 104 3HB ASN 104 0.188 9.311 10.309 820 HD21 ASN 104 1HD2 ASN 104 1.755 8.268 8.150 821 HD22 ASN 104 2HD2 ASN 104 3.117 9.260 7.954 822 H GLY 105 H GLY 105 -0.488 7.485 11.493 823 HA2 GLY 105 2HA GLY 105 -1.729 6.639 13.720 824 HA3 GLY 105 3HA GLY 105 -2.265 8.322 13.718 825 H LEU 106 H LEU 106 -2.605 5.221 12.194 826 HA LEU 106 HA LEU 106 -4.605 6.310 10.248 827 HB2 LEU 106 2HB LEU 106 -3.334 3.557 10.374 828 HB3 LEU 106 3HB LEU 106 -4.386 4.160 9.093 829 HG LEU 106 HG LEU 106 -1.693 5.336 9.851 830 HD11 LEU 106 1HD1 LEU 106 -2.605 3.517 7.617 831 HD12 LEU 106 2HD1 LEU 106 -1.251 3.294 8.724 832 HD13 LEU 106 3HD1 LEU 106 -1.164 4.520 7.460 833 HD21 LEU 106 3HD2 LEU 106 -2.908 7.148 8.980 834 HD22 LEU 106 1HD2 LEU 106 -3.847 6.127 7.890 835 HD23 LEU 106 2HD2 LEU 106 -2.159 6.492 7.529 836 H GLY 107 H GLY 107 -6.693 5.987 10.586 837 HA2 GLY 107 2HA GLY 107 -7.564 4.333 12.895 838 HA3 GLY 107 3HA GLY 107 -8.538 5.539 12.052 839 H PHE 108 H PHE 108 -9.048 4.980 9.715 840 HA PHE 108 HA PHE 108 -8.932 2.274 8.782 841 HB2 PHE 108 2HB PHE 108 -10.578 2.109 10.769 842 HB3 PHE 108 3HB PHE 108 -11.683 3.052 9.776 843 HD1 PHE 108 HD1 PHE 108 -9.383 0.099 9.370 844 HD2 PHE 108 HD2 PHE 108 -13.225 1.827 8.501 845 HE1 PHE 108 HE1 PHE 108 -10.036 -1.957 8.161 846 HE2 PHE 108 HE2 PHE 108 -13.874 -0.237 7.294 847 HZ PHE 108 HZ PHE 108 -12.281 -2.129 7.125 848 H SER 109 H SER 109 -11.965 2.946 7.997 849 HA SER 109 HA SER 109 -11.304 3.962 5.377 850 HB2 SER 109 2HB SER 109 -13.895 3.373 6.800 851 HB3 SER 109 3HB SER 109 -13.867 4.055 5.177 852 HG SER 109 HG SER 109 -12.649 2.256 4.519 853 H LYS 110 H LYS 110 -11.850 5.939 4.455 854 HA LYS 110 HA LYS 110 -11.564 8.268 6.100 855 HB2 LYS 110 2HB LYS 110 -12.610 8.002 3.263 856 HB3 LYS 110 3HB LYS 110 -12.090 9.509 4.015 857 HG2 LYS 110 2HG LYS 110 -10.304 7.081 3.675 858 HG3 LYS 110 3HG LYS 110 -10.334 8.443 2.556 859 HD2 LYS 110 2HD LYS 110 -9.886 9.905 4.664 860 HD3 LYS 110 3HD LYS 110 -9.419 8.391 5.434 861 HE2 LYS 110 2HE LYS 110 -7.736 7.987 3.733 862 HE3 LYS 110 3HE LYS 110 -8.229 9.438 2.859 863 HZ1 LYS 110 3HZ LYS 110 -7.267 9.452 5.665 864 HZ2 LYS 110 1HZ LYS 110 -7.551 10.795 4.672 865 HZ3 LYS 110 2HZ LYS 110 -6.264 9.740 4.326 866 H SER 111 H SER 111 -14.392 6.727 4.634 867 HA SER 111 HA SER 111 -16.284 8.761 5.360 868 HB2 SER 111 2HB SER 111 -17.975 6.987 4.987 869 HB3 SER 111 3HB SER 111 -16.776 7.001 3.696 870 HG SER 111 HG SER 111 -17.007 5.235 5.896 871 H GLU 112 H GLU 112 -14.660 6.323 7.169 872 HA GLU 112 HA GLU 112 -16.612 6.360 9.389 873 HB2 GLU 112 2HB GLU 112 -13.931 4.990 9.017 874 HB3 GLU 112 3HB GLU 112 -14.907 4.840 10.479 875 HG2 GLU 112 2HG GLU 112 -15.910 4.155 7.701 876 HG3 GLU 112 3HG GLU 112 -15.246 2.968 8.825 877 H LEU 113 H LEU 113 -14.111 8.288 8.307 878 HA LEU 113 HA LEU 113 -13.553 9.347 11.069 879 HB2 LEU 113 2HB LEU 113 -11.775 9.488 8.617 880 HB3 LEU 113 3HB LEU 113 -11.377 10.079 10.227 881 HG LEU 113 HG LEU 113 -11.947 7.186 9.526 882 HD11 LEU 113 1HD1 LEU 113 -9.320 8.498 10.286 883 HD12 LEU 113 2HD1 LEU 113 -9.791 8.145 8.622 884 HD13 LEU 113 3HD1 LEU 113 -9.568 6.829 9.774 885 HD21 LEU 113 3HD2 LEU 113 -10.816 6.981 11.899 886 HD22 LEU 113 1HD2 LEU 113 -12.526 7.395 11.794 887 HD23 LEU 113 2HD2 LEU 113 -11.330 8.657 12.090 888 H GLU 114 H GLU 114 -12.060 11.438 9.281 889 HA GLU 114 HA GLU 114 -12.475 13.628 8.613 890 HB2 GLU 114 2HB GLU 114 -14.934 12.263 7.478 891 HB3 GLU 114 3HB GLU 114 -14.494 13.937 7.135 892 HG2 GLU 114 2HG GLU 114 -12.355 13.229 6.197 893 HG3 GLU 114 3HG GLU 114 -12.694 11.551 6.622 894 H HIS 115 H HIS 115 -13.479 12.597 11.225 895 HA HIS 115 HA HIS 115 -15.962 14.006 11.783 896 HB2 HIS 115 2HB HIS 115 -15.436 13.443 14.152 897 HB3 HIS 115 3HB HIS 115 -15.361 12.039 13.088 898 HD1 HIS 115 HD1 HIS 115 -12.477 13.070 11.903 899 HD2 HIS 115 HD2 HIS 115 -13.455 12.247 15.872 900 HE1 HIS 115 HE1 HIS 115 -10.295 12.578 13.093 901 H HIS 116 H HIS 116 -16.097 15.740 13.399 902 HA HIS 116 HA HIS 116 -14.411 17.962 12.719 903 HB2 HIS 116 2HB HIS 116 -16.387 17.552 14.984 904 HB3 HIS 116 3HB HIS 116 -15.628 19.099 14.610 905 HD1 HIS 116 HD1 HIS 116 -15.967 19.817 11.934 906 HD2 HIS 116 HD2 HIS 116 -18.749 17.186 13.585 907 HE1 HIS 116 HE1 HIS 116 -18.008 19.903 10.438 908 H HIS 117 H HIS 117 -14.474 15.715 15.460 909 HA HIS 117 HA HIS 117 -12.498 17.117 17.010 910 HB2 HIS 117 2HB HIS 117 -14.144 15.190 17.707 911 HB3 HIS 117 3HB HIS 117 -12.844 14.126 17.174 912 HD1 HIS 117 HD1 HIS 117 -13.520 14.147 20.150 913 HD2 HIS 117 HD2 HIS 117 -10.698 16.710 18.461 914 HE1 HIS 117 HE1 HIS 117 -11.985 14.870 22.032 915 H HIS 118 H HIS 118 -10.377 17.251 16.706 916 HA HIS 118 HA HIS 118 -9.051 16.067 14.446 917 HB2 HIS 118 2HB HIS 118 -7.994 17.435 16.935 918 HB3 HIS 118 3HB HIS 118 -6.980 16.967 15.569 919 HD1 HIS 118 HD1 HIS 118 -9.783 19.319 16.505 920 HD2 HIS 118 HD2 HIS 118 -7.225 18.610 13.290 921 HE1 HIS 118 HE1 HIS 118 -10.076 21.267 14.913 922 H HIS 119 H HIS 119 -9.091 15.308 17.917 923 HA HIS 119 HA HIS 119 -8.047 12.588 17.254 924 HB2 HIS 119 2HB HIS 119 -6.953 14.414 19.411 925 HB3 HIS 119 3HB HIS 119 -6.582 12.696 19.283 926 HD1 HIS 119 HD1 HIS 119 -5.982 15.992 17.569 927 HD2 HIS 119 HD2 HIS 119 -4.819 12.008 17.172 928 HE1 HIS 119 HE1 HIS 119 -4.087 15.962 15.888 929 H HIS 120 H HIS 120 -8.861 10.975 18.551 930 HA HIS 120 HA HIS 120 -10.208 11.434 21.060 931 HB2 HIS 120 2HB HIS 120 -11.889 12.393 19.455 932 HB3 HIS 120 3HB HIS 120 -12.009 10.802 18.703 933 HD1 HIS 120 HD1 HIS 120 -13.181 8.921 20.053 934 HD2 HIS 120 HD2 HIS 120 -13.058 12.578 22.049 935 HE1 HIS 120 HE1 HIS 120 -14.735 8.703 22.042 Start of MODEL 10 1 H1 MET 1 1H MET 1 11.705 6.021 7.312 2 H2 MET 1 2H MET 1 13.124 5.356 6.659 3 H3 MET 1 3H MET 1 13.137 6.018 8.224 4 HA MET 1 HA MET 1 12.883 3.421 7.693 5 HB2 MET 1 2HB MET 1 11.794 5.041 10.014 6 HB3 MET 1 3HB MET 1 11.934 3.283 10.036 7 HG2 MET 1 2HG MET 1 14.355 3.443 9.678 8 HG3 MET 1 3HG MET 1 14.241 5.199 9.560 9 HE1 MET 1 3HE MET 1 13.658 2.096 11.451 10 HE2 MET 1 1HE MET 1 12.284 2.801 12.313 11 HE3 MET 1 2HE MET 1 13.789 2.472 13.167 12 H ALA 2 H ALA 2 10.943 2.168 8.766 13 HA ALA 2 HA ALA 2 9.081 1.152 7.479 14 HB1 ALA 2 3HB ALA 2 8.962 1.340 9.935 15 HB2 ALA 2 1HB ALA 2 7.369 1.378 9.183 16 HB3 ALA 2 2HB ALA 2 8.106 2.873 9.763 17 H GLU 3 H GLU 3 8.536 1.938 5.429 18 HA GLU 3 HA GLU 3 6.137 3.603 5.368 19 HB2 GLU 3 2HB GLU 3 6.976 5.243 3.754 20 HB3 GLU 3 3HB GLU 3 7.870 5.343 5.272 21 HG2 GLU 3 2HG GLU 3 9.635 3.884 4.278 22 HG3 GLU 3 3HG GLU 3 8.768 3.934 2.742 23 H ILE 4 H ILE 4 5.247 3.720 3.089 24 HA ILE 4 HA ILE 4 5.902 1.197 1.609 25 HB ILE 4 HB ILE 4 3.365 2.865 1.590 26 HG12 ILE 4 2HG1 ILE 4 3.823 0.091 2.722 27 HG13 ILE 4 3HG1 ILE 4 3.908 1.550 3.706 28 HG21 ILE 4 1HG2 ILE 4 3.535 1.794 -0.527 29 HG22 ILE 4 2HG2 ILE 4 2.520 0.717 0.433 30 HG23 ILE 4 3HG2 ILE 4 4.221 0.331 0.177 31 HD11 ILE 4 3HD1 ILE 4 1.664 0.521 3.827 32 HD12 ILE 4 1HD1 ILE 4 1.505 0.672 2.078 33 HD13 ILE 4 2HD1 ILE 4 1.594 2.119 3.083 34 H GLN 5 H GLN 5 6.721 1.394 -0.412 35 HA GLN 5 HA GLN 5 6.468 4.025 -1.830 36 HB2 GLN 5 2HB GLN 5 8.930 2.283 -1.547 37 HB3 GLN 5 3HB GLN 5 8.805 3.651 -2.654 38 HG2 GLN 5 2HG GLN 5 8.347 5.159 -0.766 39 HG3 GLN 5 3HG GLN 5 8.442 3.798 0.353 40 HE21 GLN 5 1HE2 GLN 5 10.400 4.032 1.454 41 HE22 GLN 5 2HE2 GLN 5 11.895 4.345 0.714 42 H PHE 6 H PHE 6 6.149 3.900 -4.005 43 HA PHE 6 HA PHE 6 5.092 1.448 -5.110 44 HB2 PHE 6 2HB PHE 6 5.817 4.119 -6.338 45 HB3 PHE 6 3HB PHE 6 5.053 2.814 -7.246 46 HD1 PHE 6 HD2 PHE 6 2.769 2.071 -6.700 47 HD2 PHE 6 HD1 PHE 6 4.598 5.389 -4.677 48 HE1 PHE 6 HE2 PHE 6 0.554 2.766 -5.841 49 HE2 PHE 6 HE1 PHE 6 2.378 6.087 -3.818 50 HZ PHE 6 HZ PHE 6 0.356 4.774 -4.402 51 H SER 7 H SER 7 7.631 3.445 -6.586 52 HA SER 7 HA SER 7 8.922 0.978 -7.607 53 HB2 SER 7 2HB SER 7 8.528 2.690 -9.252 54 HB3 SER 7 3HB SER 7 9.290 3.912 -8.239 55 HG SER 7 HG SER 7 11.195 2.433 -8.390 56 H LYS 8 H LYS 8 10.882 0.277 -6.949 57 HA LYS 8 HA LYS 8 12.004 1.209 -4.482 58 HB2 LYS 8 2HB LYS 8 13.100 -0.627 -6.619 59 HB3 LYS 8 3HB LYS 8 13.899 -0.338 -5.074 60 HG2 LYS 8 2HG LYS 8 11.925 -1.163 -3.872 61 HG3 LYS 8 3HG LYS 8 11.077 -1.397 -5.400 62 HD2 LYS 8 2HD LYS 8 11.922 -3.552 -4.844 63 HD3 LYS 8 3HD LYS 8 13.024 -2.932 -6.072 64 HE2 LYS 8 2HE LYS 8 14.699 -2.418 -4.462 65 HE3 LYS 8 3HE LYS 8 13.572 -2.574 -3.116 66 HZ1 LYS 8 3HZ LYS 8 13.356 -4.942 -3.691 67 HZ2 LYS 8 1HZ LYS 8 14.931 -4.514 -3.234 68 HZ3 LYS 8 2HZ LYS 8 14.559 -4.748 -4.875 69 H GLY 9 H GLY 9 13.686 2.545 -4.066 70 HA2 GLY 9 2HA GLY 9 15.683 3.783 -4.562 71 HA3 GLY 9 3HA GLY 9 15.364 3.578 -6.286 72 H VAL 10 H VAL 10 12.425 4.305 -5.334 73 HA VAL 10 HA VAL 10 12.804 7.218 -5.814 74 HB VAL 10 HB VAL 10 10.236 5.615 -5.801 75 HG11 VAL 10 1HG1 VAL 10 9.851 7.986 -5.525 76 HG12 VAL 10 2HG1 VAL 10 9.486 7.579 -7.202 77 HG13 VAL 10 3HG1 VAL 10 11.009 8.372 -6.798 78 HG21 VAL 10 3HG2 VAL 10 12.239 6.236 -7.985 79 HG22 VAL 10 1HG2 VAL 10 10.549 5.890 -8.355 80 HG23 VAL 10 2HG2 VAL 10 11.541 4.673 -7.553 81 H ALA 11 H ALA 11 12.966 8.419 -4.036 82 HA ALA 11 HA ALA 11 11.908 7.563 -1.460 83 HB1 ALA 11 3HB ALA 11 12.710 9.889 -0.770 84 HB2 ALA 11 1HB ALA 11 13.281 10.073 -2.428 85 HB3 ALA 11 2HB ALA 11 13.945 8.800 -1.405 86 H GLU 12 H GLU 12 10.097 8.285 -0.439 87 HA GLU 12 HA GLU 12 8.636 10.641 -1.161 88 HB2 GLU 12 2HB GLU 12 6.627 9.572 -2.131 89 HB3 GLU 12 3HB GLU 12 8.041 9.336 -3.157 90 HG2 GLU 12 2HG GLU 12 8.376 7.092 -2.127 91 HG3 GLU 12 3HG GLU 12 6.893 7.327 -1.198 92 H THR 13 H THR 13 7.295 11.154 0.503 93 HA THR 13 HA THR 13 7.119 9.260 2.772 94 HB THR 13 HB THR 13 6.260 12.159 2.556 95 HG1 THR 13 HG1 THR 13 8.579 11.112 3.785 96 HG21 THR 13 3HG2 THR 13 5.142 11.080 4.393 97 HG22 THR 13 1HG2 THR 13 6.469 12.024 5.069 98 HG23 THR 13 2HG2 THR 13 6.629 10.276 4.894 99 H VAL 14 H VAL 14 4.778 11.615 1.470 100 HA VAL 14 HA VAL 14 2.460 11.485 1.192 101 HB VAL 14 HB VAL 14 3.130 8.615 0.480 102 HG11 VAL 14 1HG1 VAL 14 1.021 8.982 -0.973 103 HG12 VAL 14 2HG1 VAL 14 0.693 10.364 0.073 104 HG13 VAL 14 3HG1 VAL 14 0.767 8.738 0.753 105 HG21 VAL 14 3HG2 VAL 14 3.248 9.462 -1.815 106 HG22 VAL 14 1HG2 VAL 14 4.384 10.355 -0.802 107 HG23 VAL 14 2HG2 VAL 14 2.846 11.086 -1.258 108 H VAL 15 H VAL 15 0.446 10.483 2.046 109 HA VAL 15 HA VAL 15 0.866 8.931 4.572 110 HB VAL 15 HB VAL 15 -0.936 11.346 4.263 111 HG11 VAL 15 1HG1 VAL 15 -0.331 9.447 6.547 112 HG12 VAL 15 2HG1 VAL 15 -1.898 9.735 5.790 113 HG13 VAL 15 3HG1 VAL 15 -1.145 10.996 6.767 114 HG21 VAL 15 3HG2 VAL 15 1.323 12.124 4.416 115 HG22 VAL 15 1HG2 VAL 15 1.744 10.887 5.600 116 HG23 VAL 15 2HG2 VAL 15 0.684 12.220 6.057 117 HA PRO 16 HA PRO 16 -2.529 7.108 2.004 118 HB2 PRO 16 2HB PRO 16 -1.650 4.549 1.988 119 HB3 PRO 16 3HB PRO 16 -0.969 5.781 0.903 120 HG2 PRO 16 2HG PRO 16 0.136 4.679 3.447 121 HG3 PRO 16 3HG PRO 16 0.975 5.099 1.946 122 HD2 PRO 16 2HD PRO 16 0.884 6.722 4.200 123 HD3 PRO 16 3HD PRO 16 1.213 7.315 2.559 124 H GLU 17 H GLU 17 -4.338 5.956 2.712 125 HA GLU 17 HA GLU 17 -4.449 5.431 5.636 126 HB2 GLU 17 2HB GLU 17 -6.603 5.580 3.509 127 HB3 GLU 17 3HB GLU 17 -6.914 5.233 5.208 128 HG2 GLU 17 2HG GLU 17 -7.248 7.556 5.101 129 HG3 GLU 17 3HG GLU 17 -5.583 7.442 5.664 130 H VAL 18 H VAL 18 -4.862 3.425 6.487 131 HA VAL 18 HA VAL 18 -4.513 1.125 4.635 132 HB VAL 18 HB VAL 18 -4.457 1.172 7.663 133 HG11 VAL 18 1HG1 VAL 18 -3.410 -0.814 5.621 134 HG12 VAL 18 2HG1 VAL 18 -4.854 -1.036 6.609 135 HG13 VAL 18 3HG1 VAL 18 -3.265 -0.964 7.372 136 HG21 VAL 18 3HG2 VAL 18 -2.681 2.601 6.967 137 HG22 VAL 18 1HG2 VAL 18 -2.300 1.581 5.580 138 HG23 VAL 18 2HG2 VAL 18 -1.924 1.027 7.212 139 H ARG 19 H ARG 19 -6.171 -0.149 4.136 140 HA ARG 19 HA ARG 19 -8.594 -0.197 5.901 141 HB2 ARG 19 2HB ARG 19 -8.515 -0.219 2.871 142 HB3 ARG 19 3HB ARG 19 -9.970 -0.357 3.858 143 HG2 ARG 19 2HG ARG 19 -8.112 2.004 4.179 144 HG3 ARG 19 3HG ARG 19 -9.335 1.989 2.910 145 HD2 ARG 19 2HD ARG 19 -9.866 1.668 5.882 146 HD3 ARG 19 3HD ARG 19 -10.220 3.092 4.914 147 HE ARG 19 HE ARG 19 -11.753 0.591 4.920 148 HH11 ARG 19 1HH2 ARG 19 -10.937 3.534 3.309 149 HH12 ARG 19 2HH2 ARG 19 -12.393 3.575 2.376 150 HH21 ARG 19 1HH1 ARG 19 -13.648 0.634 3.713 151 HH22 ARG 19 2HH1 ARG 19 -13.929 1.935 2.605 152 H LEU 20 H LEU 20 -9.523 -2.191 6.176 153 HA LEU 20 HA LEU 20 -7.867 -4.501 5.332 154 HB2 LEU 20 2HB LEU 20 -9.958 -4.044 7.449 155 HB3 LEU 20 3HB LEU 20 -9.518 -5.687 6.982 156 HG LEU 20 HG LEU 20 -8.207 -4.783 8.935 157 HD11 LEU 20 1HD1 LEU 20 -6.189 -5.165 6.748 158 HD12 LEU 20 2HD1 LEU 20 -7.351 -6.466 7.011 159 HD13 LEU 20 3HD1 LEU 20 -6.304 -5.941 8.326 160 HD21 LEU 20 3HD2 LEU 20 -8.133 -2.431 7.882 161 HD22 LEU 20 1HD2 LEU 20 -6.805 -3.046 6.897 162 HD23 LEU 20 2HD2 LEU 20 -6.653 -3.003 8.652 163 H SER 21 H SER 21 -8.564 -6.082 4.027 164 HA SER 21 HA SER 21 -11.400 -6.032 3.077 165 HB2 SER 21 2HB SER 21 -9.932 -4.891 1.422 166 HB3 SER 21 3HB SER 21 -8.949 -6.351 1.327 167 HG SER 21 HG SER 21 -11.728 -6.508 0.972 168 H LYS 22 H LYS 22 -12.237 -8.074 2.646 169 HA LYS 22 HA LYS 22 -10.436 -10.418 3.168 170 HB2 LYS 22 2HB LYS 22 -13.332 -10.063 3.984 171 HB3 LYS 22 3HB LYS 22 -12.380 -11.530 4.216 172 HG2 LYS 22 2HG LYS 22 -11.702 -8.816 5.390 173 HG3 LYS 22 3HG LYS 22 -12.465 -10.137 6.276 174 HD2 LYS 22 2HD LYS 22 -10.380 -11.527 5.461 175 HD3 LYS 22 3HD LYS 22 -9.648 -9.941 5.219 176 HE2 LYS 22 2HE LYS 22 -10.118 -9.356 7.560 177 HE3 LYS 22 3HE LYS 22 -10.829 -10.951 7.812 178 HZ1 LYS 22 3HZ LYS 22 -8.821 -11.787 8.130 179 HZ2 LYS 22 1HZ LYS 22 -8.143 -10.241 7.970 180 HZ3 LYS 22 2HZ LYS 22 -8.305 -11.239 6.606 181 H SER 23 H SER 23 -10.653 -12.146 1.864 182 HA SER 23 HA SER 23 -11.798 -11.742 -0.745 183 HB2 SER 23 2HB SER 23 -10.535 -14.101 0.644 184 HB3 SER 23 3HB SER 23 -11.180 -14.230 -0.991 185 HG SER 23 HG SER 23 -9.790 -12.065 -1.037 186 H LYS 24 H LYS 24 -13.264 -13.465 -1.721 187 HA LYS 24 HA LYS 24 -15.800 -13.435 -0.424 188 HB2 LYS 24 2HB LYS 24 -14.722 -15.175 -2.662 189 HB3 LYS 24 3HB LYS 24 -16.418 -15.139 -2.184 190 HG2 LYS 24 2HG LYS 24 -16.514 -12.724 -2.675 191 HG3 LYS 24 3HG LYS 24 -14.813 -12.745 -3.137 192 HD2 LYS 24 2HD LYS 24 -15.319 -14.344 -4.951 193 HD3 LYS 24 3HD LYS 24 -17.022 -14.331 -4.489 194 HE2 LYS 24 2HE LYS 24 -17.134 -11.909 -4.962 195 HE3 LYS 24 3HE LYS 24 -15.433 -11.921 -5.427 196 HZ1 LYS 24 3HZ LYS 24 -17.711 -13.241 -6.777 197 HZ2 LYS 24 1HZ LYS 24 -16.107 -13.700 -7.081 198 HZ3 LYS 24 2HZ LYS 24 -16.613 -12.114 -7.418 199 H ASN 25 H ASN 25 -13.326 -15.985 -0.669 200 HA ASN 25 HA ASN 25 -14.822 -17.990 0.763 201 HB2 ASN 25 2HB ASN 25 -11.848 -17.598 0.339 202 HB3 ASN 25 3HB ASN 25 -12.537 -19.015 1.131 203 HD21 ASN 25 1HD2 ASN 25 -14.954 -18.614 -0.878 204 HD22 ASN 25 2HD2 ASN 25 -14.381 -19.362 -2.286 205 H GLY 26 H GLY 26 -12.511 -15.505 1.784 206 HA2 GLY 26 2HA GLY 26 -12.476 -14.425 3.919 207 HA3 GLY 26 3HA GLY 26 -13.576 -15.654 4.540 208 H GLN 27 H GLN 27 -11.342 -17.383 2.913 209 HA GLN 27 HA GLN 27 -9.807 -17.967 5.392 210 HB2 GLN 27 2HB GLN 27 -9.167 -20.029 4.297 211 HB3 GLN 27 3HB GLN 27 -10.898 -19.809 4.043 212 HG2 GLN 27 2HG GLN 27 -10.327 -18.726 1.815 213 HG3 GLN 27 3HG GLN 27 -8.668 -19.269 2.065 214 HE21 GLN 27 1HE2 GLN 27 -10.712 -21.530 3.521 215 HE22 GLN 27 2HE2 GLN 27 -10.810 -22.642 2.242 216 H SER 28 H SER 28 -9.511 -16.046 2.666 217 HA SER 28 HA SER 28 -6.516 -16.237 2.668 218 HB2 SER 28 2HB SER 28 -7.264 -16.626 0.462 219 HB3 SER 28 3HB SER 28 -8.491 -15.368 0.566 220 HG SER 28 HG SER 28 -6.959 -13.845 0.370 221 H GLY 29 H GLY 29 -5.495 -14.657 3.659 222 HA2 GLY 29 2HA GLY 29 -6.824 -12.321 4.712 223 HA3 GLY 29 3HA GLY 29 -5.091 -12.636 4.755 224 H MET 30 H MET 30 -6.736 -10.191 3.997 225 HA MET 30 HA MET 30 -5.081 -9.474 1.677 226 HB2 MET 30 2HB MET 30 -7.097 -10.540 0.668 227 HB3 MET 30 3HB MET 30 -8.102 -9.343 1.483 228 HG2 MET 30 2HG MET 30 -6.943 -7.532 0.298 229 HG3 MET 30 3HG MET 30 -5.888 -8.708 -0.489 230 HE1 MET 30 3HE MET 30 -7.776 -10.289 -3.214 231 HE2 MET 30 1HE MET 30 -6.975 -10.861 -1.745 232 HE3 MET 30 2HE MET 30 -6.261 -9.558 -2.693 233 H ALA 31 H ALA 31 -4.783 -7.257 1.527 234 HA ALA 31 HA ALA 31 -6.377 -5.470 3.304 235 HB1 ALA 31 3HB ALA 31 -4.141 -4.370 3.942 236 HB2 ALA 31 1HB ALA 31 -3.374 -5.842 3.348 237 HB3 ALA 31 2HB ALA 31 -4.498 -5.920 4.705 238 H LYS 32 H LYS 32 -6.532 -3.373 2.504 239 HA LYS 32 HA LYS 32 -5.340 -2.897 -0.208 240 HB2 LYS 32 2HB LYS 32 -7.983 -2.024 0.960 241 HB3 LYS 32 3HB LYS 32 -7.340 -1.417 -0.565 242 HG2 LYS 32 2HG LYS 32 -7.232 -3.737 -1.429 243 HG3 LYS 32 3HG LYS 32 -7.916 -4.323 0.088 244 HD2 LYS 32 2HD LYS 32 -9.948 -2.994 -0.297 245 HD3 LYS 32 3HD LYS 32 -9.267 -2.370 -1.798 246 HE2 LYS 32 2HE LYS 32 -9.148 -4.672 -2.696 247 HE3 LYS 32 3HE LYS 32 -9.854 -5.287 -1.201 248 HZ1 LYS 32 3HZ LYS 32 -11.458 -3.197 -2.148 249 HZ2 LYS 32 1HZ LYS 32 -11.854 -4.839 -1.996 250 HZ3 LYS 32 2HZ LYS 32 -11.173 -4.261 -3.442 251 H PHE 33 H PHE 33 -4.574 -0.831 -0.677 252 HA PHE 33 HA PHE 33 -4.246 1.023 1.663 253 HB2 PHE 33 2HB PHE 33 -2.265 0.191 -0.467 254 HB3 PHE 33 3HB PHE 33 -2.054 1.649 0.504 255 HD1 PHE 33 HD2 PHE 33 -2.198 -2.043 0.590 256 HD2 PHE 33 HD1 PHE 33 -1.557 1.541 2.869 257 HE1 PHE 33 HE2 PHE 33 -1.280 -3.393 2.459 258 HE2 PHE 33 HE1 PHE 33 -0.639 0.190 4.734 259 HZ PHE 33 HZ PHE 33 -0.502 -2.274 4.531 260 H TYR 34 H TYR 34 -4.505 3.194 1.220 261 HA TYR 34 HA TYR 34 -5.479 3.892 -1.533 262 HB2 TYR 34 2HB TYR 34 -7.175 3.959 0.328 263 HB3 TYR 34 3HB TYR 34 -6.211 5.228 1.083 264 HD1 TYR 34 HD2 TYR 34 -7.822 4.321 -2.168 265 HD2 TYR 34 HD1 TYR 34 -6.563 7.474 0.464 266 HE1 TYR 34 HE2 TYR 34 -8.875 5.993 -3.667 267 HE2 TYR 34 HE1 TYR 34 -7.615 9.145 -1.036 268 HH TYR 34 HH TYR 34 -9.846 8.451 -3.278 269 H PHE 35 H PHE 35 -4.076 5.146 -2.582 270 HA PHE 35 HA PHE 35 -2.265 6.967 -1.034 271 HB2 PHE 35 2HB PHE 35 -1.990 5.583 -3.707 272 HB3 PHE 35 3HB PHE 35 -0.948 6.929 -3.243 273 HD1 PHE 35 HD1 PHE 35 -1.887 3.437 -2.516 274 HD2 PHE 35 HD2 PHE 35 0.664 6.718 -1.442 275 HE1 PHE 35 HE1 PHE 35 -0.474 1.903 -1.173 276 HE2 PHE 35 HE2 PHE 35 2.077 5.187 -0.104 277 HZ PHE 35 HZ PHE 35 1.501 2.781 0.037 278 H LEU 36 H LEU 36 -2.874 9.038 -1.106 279 HA LEU 36 HA LEU 36 -4.439 10.011 -3.454 280 HB2 LEU 36 2HB LEU 36 -5.509 10.222 -1.206 281 HB3 LEU 36 3HB LEU 36 -4.177 11.262 -0.707 282 HG LEU 36 HG LEU 36 -4.733 12.832 -2.552 283 HD11 LEU 36 1HD1 LEU 36 -6.771 10.705 -3.144 284 HD12 LEU 36 2HD1 LEU 36 -5.805 11.673 -4.257 285 HD13 LEU 36 3HD1 LEU 36 -7.203 12.386 -3.461 286 HD21 LEU 36 3HD2 LEU 36 -6.869 12.118 -0.535 287 HD22 LEU 36 1HD2 LEU 36 -7.018 13.521 -1.594 288 HD23 LEU 36 2HD2 LEU 36 -5.678 13.416 -0.454 289 H GLU 37 H GLU 37 -3.418 11.259 -4.846 290 HA GLU 37 HA GLU 37 -1.729 12.542 -5.828 291 HB2 GLU 37 2HB GLU 37 -2.108 13.951 -3.172 292 HB3 GLU 37 3HB GLU 37 -1.190 14.622 -4.520 293 HG2 GLU 37 2HG GLU 37 -3.113 14.704 -5.926 294 HG3 GLU 37 3HG GLU 37 -4.047 13.683 -4.832 295 HA PRO 38 HA PRO 38 1.571 10.457 -3.107 296 HB2 PRO 38 2HB PRO 38 2.273 8.539 -4.994 297 HB3 PRO 38 3HB PRO 38 1.111 8.262 -3.681 298 HG2 PRO 38 2HG PRO 38 0.596 8.933 -6.542 299 HG3 PRO 38 3HG PRO 38 -0.259 7.801 -5.484 300 HD2 PRO 38 2HD PRO 38 -1.258 10.259 -6.060 301 HD3 PRO 38 3HD PRO 38 -1.509 9.491 -4.477 302 H THR 39 H THR 39 1.208 12.415 -5.623 303 HA THR 39 HA THR 39 2.605 13.656 -7.019 304 HB THR 39 HB THR 39 4.732 14.326 -6.011 305 HG1 THR 39 HG1 THR 39 5.305 12.210 -5.294 306 HG21 THR 39 3HG2 THR 39 2.674 13.939 -3.827 307 HG22 THR 39 1HG2 THR 39 2.526 15.153 -5.096 308 HG23 THR 39 2HG2 THR 39 3.869 15.231 -3.956 309 H ILE 40 H ILE 40 2.630 10.568 -7.203 310 HA ILE 40 HA ILE 40 5.296 10.183 -8.467 311 HB ILE 40 HB ILE 40 4.202 8.496 -6.848 312 HG12 ILE 40 2HG1 ILE 40 5.000 7.420 -9.565 313 HG13 ILE 40 3HG1 ILE 40 6.156 8.047 -8.389 314 HG21 ILE 40 1HG2 ILE 40 1.990 8.720 -8.327 315 HG22 ILE 40 2HG2 ILE 40 2.397 7.202 -7.531 316 HG23 ILE 40 3HG2 ILE 40 2.745 7.426 -9.245 317 HD11 ILE 40 3HD1 ILE 40 6.019 5.636 -8.131 318 HD12 ILE 40 1HD1 ILE 40 4.264 5.716 -7.983 319 HD13 ILE 40 2HD1 ILE 40 5.287 6.401 -6.720 320 H LEU 41 H LEU 41 2.087 10.983 -9.279 321 HA LEU 41 HA LEU 41 1.876 9.767 -11.881 322 HB2 LEU 41 2HB LEU 41 0.642 12.386 -10.991 323 HB3 LEU 41 3HB LEU 41 0.055 11.312 -12.262 324 HG LEU 41 HG LEU 41 0.227 10.616 -9.313 325 HD11 LEU 41 1HD1 LEU 41 -1.585 12.131 -9.553 326 HD12 LEU 41 2HD1 LEU 41 -2.331 10.536 -9.635 327 HD13 LEU 41 3HD1 LEU 41 -2.051 11.456 -11.114 328 HD21 LEU 41 3HD2 LEU 41 -1.271 8.669 -10.210 329 HD22 LEU 41 1HD2 LEU 41 0.470 8.573 -10.464 330 HD23 LEU 41 2HD2 LEU 41 -0.585 9.078 -11.784 331 H ALA 42 H ALA 42 3.183 12.848 -10.744 332 HA ALA 42 HA ALA 42 3.808 13.783 -13.446 333 HB1 ALA 42 3HB ALA 42 4.805 14.809 -10.775 334 HB2 ALA 42 1HB ALA 42 3.304 15.330 -11.538 335 HB3 ALA 42 2HB ALA 42 4.853 15.672 -12.311 336 H LYS 43 H LYS 43 5.238 11.649 -11.222 337 HA LYS 43 HA LYS 43 7.961 11.995 -12.427 338 HB2 LYS 43 2HB LYS 43 7.040 10.529 -9.942 339 HB3 LYS 43 3HB LYS 43 8.702 10.557 -10.523 340 HG2 LYS 43 2HG LYS 43 8.762 13.000 -10.296 341 HG3 LYS 43 3HG LYS 43 7.078 13.010 -9.773 342 HD2 LYS 43 2HD LYS 43 7.720 11.564 -7.835 343 HD3 LYS 43 3HD LYS 43 9.406 11.706 -8.331 344 HE2 LYS 43 2HE LYS 43 7.622 14.070 -7.685 345 HE3 LYS 43 3HE LYS 43 8.755 13.344 -6.545 346 HZ1 LYS 43 3HZ LYS 43 10.463 14.354 -7.517 347 HZ2 LYS 43 1HZ LYS 43 9.328 15.310 -8.338 348 HZ3 LYS 43 2HZ LYS 43 9.957 13.916 -9.079 349 H GLU 44 H GLU 44 5.160 10.010 -12.431 350 HA GLU 44 HA GLU 44 6.210 8.295 -14.480 351 HB2 GLU 44 2HB GLU 44 7.380 7.254 -12.573 352 HB3 GLU 44 3HB GLU 44 5.835 7.024 -11.750 353 HG2 GLU 44 2HG GLU 44 5.045 5.589 -13.562 354 HG3 GLU 44 3HG GLU 44 6.535 5.868 -14.463 355 H SER 45 H SER 45 4.522 7.344 -15.566 356 HA SER 45 HA SER 45 1.825 8.139 -14.845 357 HB2 SER 45 2HB SER 45 2.466 8.029 -17.182 358 HB3 SER 45 3HB SER 45 2.873 6.322 -17.028 359 HG SER 45 HG SER 45 0.609 6.066 -16.359 360 H THR 46 H THR 46 0.021 6.659 -14.565 361 HA THR 46 HA THR 46 0.488 4.656 -12.573 362 HB THR 46 HB THR 46 -1.919 4.110 -12.864 363 HG1 THR 46 HG1 THR 46 -3.027 5.433 -14.443 364 HG21 THR 46 3HG2 THR 46 -2.808 6.344 -12.333 365 HG22 THR 46 1HG2 THR 46 -1.319 7.080 -12.924 366 HG23 THR 46 2HG2 THR 46 -1.287 6.054 -11.490 367 H ASP 47 H ASP 47 0.170 4.473 -16.066 368 HA ASP 47 HA ASP 47 -0.277 1.649 -16.273 369 HB2 ASP 47 2HB ASP 47 -0.576 3.202 -18.172 370 HB3 ASP 47 3HB ASP 47 1.160 3.507 -18.189 371 H ASP 48 H ASP 48 2.692 3.580 -16.114 372 HA ASP 48 HA ASP 48 4.474 1.323 -16.490 373 HB2 ASP 48 2HB ASP 48 4.882 4.100 -15.353 374 HB3 ASP 48 3HB ASP 48 6.197 2.947 -15.575 375 H ILE 49 H ILE 49 2.632 2.507 -13.851 376 HA ILE 49 HA ILE 49 4.361 1.208 -11.822 377 HB ILE 49 HB ILE 49 1.792 2.796 -11.587 378 HG12 ILE 49 2HG1 ILE 49 4.611 3.447 -10.671 379 HG13 ILE 49 3HG1 ILE 49 3.943 3.987 -12.211 380 HG21 ILE 49 1HG2 ILE 49 2.421 2.755 -9.110 381 HG22 ILE 49 2HG2 ILE 49 3.520 1.434 -9.510 382 HG23 ILE 49 3HG2 ILE 49 1.785 1.247 -9.768 383 HD11 ILE 49 3HD1 ILE 49 2.828 4.616 -9.465 384 HD12 ILE 49 1HD1 ILE 49 2.110 5.124 -10.990 385 HD13 ILE 49 2HD1 ILE 49 3.693 5.733 -10.519 386 H THR 50 H THR 50 4.096 -0.887 -11.439 387 HA THR 50 HA THR 50 1.388 -2.044 -11.240 388 HB THR 50 HB THR 50 2.192 -4.021 -12.674 389 HG1 THR 50 HG1 THR 50 3.765 -2.601 -14.240 390 HG21 THR 50 3HG2 THR 50 1.864 -1.352 -14.069 391 HG22 THR 50 1HG2 THR 50 0.532 -2.298 -13.405 392 HG23 THR 50 2HG2 THR 50 1.492 -2.941 -14.739 393 H GLY 51 H GLY 51 3.243 -1.430 -9.235 394 HA2 GLY 51 2HA GLY 51 3.456 -3.932 -7.873 395 HA3 GLY 51 3HA GLY 51 5.039 -3.498 -8.510 396 H MET 52 H MET 52 3.789 -3.595 -5.717 397 HA MET 52 HA MET 52 4.754 -0.900 -4.830 398 HB2 MET 52 2HB MET 52 2.259 -1.049 -4.709 399 HB3 MET 52 3HB MET 52 2.428 -2.437 -3.635 400 HG2 MET 52 2HG MET 52 3.601 -1.093 -1.990 401 HG3 MET 52 3HG MET 52 3.627 0.292 -3.081 402 HE1 MET 52 3HE MET 52 1.661 1.132 -4.224 403 HE2 MET 52 1HE MET 52 1.691 2.223 -2.833 404 HE3 MET 52 2HE MET 52 0.165 1.544 -3.394 405 H TYR 53 H TYR 53 6.341 -1.074 -3.348 406 HA TYR 53 HA TYR 53 6.787 -3.735 -2.038 407 HB2 TYR 53 2HB TYR 53 8.725 -1.508 -2.718 408 HB3 TYR 53 3HB TYR 53 9.153 -2.983 -1.848 409 HD1 TYR 53 HD1 TYR 53 7.936 -1.637 -5.087 410 HD2 TYR 53 HD2 TYR 53 9.372 -5.091 -2.978 411 HE1 TYR 53 HE1 TYR 53 8.184 -2.848 -7.238 412 HE2 TYR 53 HE2 TYR 53 9.621 -6.302 -5.129 413 HH TYR 53 HH TYR 53 9.165 -6.261 -7.322 414 H LEU 54 H LEU 54 6.501 -3.822 0.082 415 HA LEU 54 HA LEU 54 6.190 -1.309 1.642 416 HB2 LEU 54 2HB LEU 54 5.587 -4.197 2.340 417 HB3 LEU 54 3HB LEU 54 5.244 -2.807 3.371 418 HG LEU 54 HG LEU 54 4.017 -1.967 1.086 419 HD11 LEU 54 1HD1 LEU 54 4.685 -4.254 0.063 420 HD12 LEU 54 2HD1 LEU 54 3.024 -3.711 -0.153 421 HD13 LEU 54 3HD1 LEU 54 3.404 -4.924 1.071 422 HD21 LEU 54 3HD2 LEU 54 2.945 -2.074 3.277 423 HD22 LEU 54 1HD2 LEU 54 2.834 -3.830 3.169 424 HD23 LEU 54 2HD2 LEU 54 1.894 -2.818 2.073 425 H ILE 55 H ILE 55 7.846 -0.624 2.868 426 HA ILE 55 HA ILE 55 10.091 -2.504 3.438 427 HB ILE 55 HB ILE 55 9.902 0.520 3.497 428 HG12 ILE 55 2HG1 ILE 55 11.625 0.241 1.665 429 HG13 ILE 55 3HG1 ILE 55 11.331 -1.492 1.731 430 HG21 ILE 55 1HG2 ILE 55 12.440 0.281 3.839 431 HG22 ILE 55 2HG2 ILE 55 12.106 -1.383 4.320 432 HG23 ILE 55 3HG2 ILE 55 11.421 -0.044 5.241 433 HD11 ILE 55 3HD1 ILE 55 10.008 0.116 0.029 434 HD12 ILE 55 1HD1 ILE 55 8.924 0.252 1.414 435 HD13 ILE 55 2HD1 ILE 55 9.277 -1.331 0.718 436 H ASP 56 H ASP 56 10.328 -3.290 5.403 437 HA ASP 56 HA ASP 56 8.846 -2.045 7.688 438 HB2 ASP 56 2HB ASP 56 9.892 -4.866 7.301 439 HB3 ASP 56 3HB ASP 56 9.024 -4.290 8.724 440 H ASP 57 H ASP 57 10.453 -3.690 9.565 441 HA ASP 57 HA ASP 57 12.503 -1.796 10.182 442 HB2 ASP 57 2HB ASP 57 13.239 -3.487 11.852 443 HB3 ASP 57 3HB ASP 57 11.497 -3.223 11.903 444 H GLU 58 H GLU 58 12.512 -4.824 8.401 445 HA GLU 58 HA GLU 58 15.106 -4.133 7.211 446 HB2 GLU 58 2HB GLU 58 15.739 -5.348 9.311 447 HB3 GLU 58 3HB GLU 58 14.784 -6.724 8.759 448 HG2 GLU 58 2HG GLU 58 16.185 -6.958 6.777 449 HG3 GLU 58 3HG GLU 58 17.100 -5.517 7.220 450 H GLY 59 H GLY 59 12.578 -6.588 7.635 451 HA2 GLY 59 2HA GLY 59 13.031 -7.758 4.997 452 HA3 GLY 59 3HA GLY 59 11.722 -8.168 6.102 453 H GLU 60 H GLU 60 11.097 -7.966 3.473 454 HA GLU 60 HA GLU 60 9.300 -5.618 3.465 455 HB2 GLU 60 2HB GLU 60 9.963 -4.942 1.198 456 HB3 GLU 60 3HB GLU 60 11.326 -4.819 2.309 457 HG2 GLU 60 2HG GLU 60 12.142 -7.032 1.533 458 HG3 GLU 60 3HG GLU 60 10.804 -7.111 0.386 459 H ILE 61 H ILE 61 7.582 -5.826 1.914 460 HA ILE 61 HA ILE 61 7.067 -8.664 1.082 461 HB ILE 61 HB ILE 61 5.126 -6.444 1.793 462 HG12 ILE 61 2HG1 ILE 61 5.627 -9.107 3.157 463 HG13 ILE 61 3HG1 ILE 61 6.397 -7.606 3.668 464 HG21 ILE 61 1HG2 ILE 61 4.113 -7.771 0.080 465 HG22 ILE 61 2HG2 ILE 61 3.469 -8.385 1.602 466 HG23 ILE 61 3HG2 ILE 61 4.748 -9.267 0.767 467 HD11 ILE 61 3HD1 ILE 61 4.219 -8.281 4.875 468 HD12 ILE 61 1HD1 ILE 61 3.398 -7.816 3.384 469 HD13 ILE 61 2HD1 ILE 61 4.333 -6.623 4.288 470 H ILE 62 H ILE 62 6.684 -9.043 -1.038 471 HA ILE 62 HA ILE 62 6.813 -6.726 -2.907 472 HB ILE 62 HB ILE 62 7.139 -9.702 -3.388 473 HG12 ILE 62 2HG1 ILE 62 9.541 -8.987 -3.782 474 HG13 ILE 62 3HG1 ILE 62 9.106 -7.409 -3.137 475 HG21 ILE 62 1HG2 ILE 62 6.342 -8.712 -5.407 476 HG22 ILE 62 2HG2 ILE 62 8.091 -8.840 -5.592 477 HG23 ILE 62 3HG2 ILE 62 7.357 -7.286 -5.193 478 HD11 ILE 62 3HD1 ILE 62 8.984 -8.166 -0.977 479 HD12 ILE 62 1HD1 ILE 62 10.098 -9.386 -1.590 480 HD13 ILE 62 2HD1 ILE 62 8.382 -9.757 -1.443 481 H THR 63 H THR 63 4.995 -6.042 -3.815 482 HA THR 63 HA THR 63 2.707 -7.955 -4.160 483 HB THR 63 HB THR 63 2.611 -5.003 -3.471 484 HG1 THR 63 HG1 THR 63 2.014 -7.370 -2.030 485 HG21 THR 63 3HG2 THR 63 0.751 -5.578 -4.903 486 HG22 THR 63 1HG2 THR 63 0.149 -5.489 -3.249 487 HG23 THR 63 2HG2 THR 63 0.450 -7.059 -3.994 488 H ARG 64 H ARG 64 2.084 -8.158 -6.220 489 HA ARG 64 HA ARG 64 2.984 -6.135 -8.233 490 HB2 ARG 64 2HB ARG 64 2.119 -9.015 -8.605 491 HB3 ARG 64 3HB ARG 64 2.717 -7.951 -9.875 492 HG2 ARG 64 2HG ARG 64 4.379 -8.504 -7.411 493 HG3 ARG 64 3HG ARG 64 4.395 -9.617 -8.777 494 HD2 ARG 64 2HD ARG 64 5.107 -6.666 -8.873 495 HD3 ARG 64 3HD ARG 64 6.231 -8.014 -9.003 496 HE ARG 64 HE ARG 64 4.435 -7.061 -11.116 497 HH11 ARG 64 1HH2 ARG 64 6.346 -9.641 -9.839 498 HH12 ARG 64 2HH2 ARG 64 6.543 -10.420 -11.372 499 HH21 ARG 64 1HH1 ARG 64 4.682 -8.068 -13.106 500 HH22 ARG 64 2HH1 ARG 64 5.601 -9.533 -13.221 501 H GLU 65 H GLU 65 0.352 -7.079 -6.449 502 HA GLU 65 HA GLU 65 -1.668 -6.631 -8.564 503 HB2 GLU 65 2HB GLU 65 -1.934 -7.186 -5.593 504 HB3 GLU 65 3HB GLU 65 -3.291 -7.030 -6.706 505 HG2 GLU 65 2HG GLU 65 -2.955 -9.355 -6.666 506 HG3 GLU 65 3HG GLU 65 -2.045 -8.875 -8.096 507 H VAL 66 H VAL 66 -0.915 -4.405 -8.967 508 HA VAL 66 HA VAL 66 -1.951 -2.467 -6.926 509 HB VAL 66 HB VAL 66 0.366 -2.218 -8.849 510 HG11 VAL 66 1HG1 VAL 66 0.545 0.103 -7.740 511 HG12 VAL 66 2HG1 VAL 66 -1.132 -0.134 -7.246 512 HG13 VAL 66 3HG1 VAL 66 -0.713 -0.099 -8.959 513 HG21 VAL 66 3HG2 VAL 66 0.205 -1.867 -5.841 514 HG22 VAL 66 1HG2 VAL 66 1.666 -1.916 -6.828 515 HG23 VAL 66 2HG2 VAL 66 0.690 -3.369 -6.626 516 H LYS 67 H LYS 67 -3.527 -1.136 -7.599 517 HA LYS 67 HA LYS 67 -4.075 -0.918 -10.538 518 HB2 LYS 67 2HB LYS 67 -6.064 -1.205 -8.269 519 HB3 LYS 67 3HB LYS 67 -6.493 -0.894 -9.952 520 HG2 LYS 67 2HG LYS 67 -4.780 -3.272 -9.216 521 HG3 LYS 67 3HG LYS 67 -6.537 -3.360 -9.103 522 HD2 LYS 67 2HD LYS 67 -6.707 -2.675 -11.488 523 HD3 LYS 67 3HD LYS 67 -4.951 -2.669 -11.599 524 HE2 LYS 67 2HE LYS 67 -5.755 -4.782 -12.445 525 HE3 LYS 67 3HE LYS 67 -4.945 -5.068 -10.906 526 HZ1 LYS 67 3HZ LYS 67 -7.304 -6.052 -11.398 527 HZ2 LYS 67 1HZ LYS 67 -7.821 -4.519 -10.888 528 HZ3 LYS 67 2HZ LYS 67 -6.898 -5.493 -9.846 529 H GLY 68 H GLY 68 -4.645 1.064 -11.268 530 HA2 GLY 68 2HA GLY 68 -4.147 3.322 -9.438 531 HA3 GLY 68 3HA GLY 68 -4.233 3.412 -11.189 532 H LYS 69 H LYS 69 -5.655 4.878 -8.940 533 HA LYS 69 HA LYS 69 -8.490 4.290 -9.679 534 HB2 LYS 69 2HB LYS 69 -7.280 5.889 -7.405 535 HB3 LYS 69 3HB LYS 69 -9.011 5.751 -7.702 536 HG2 LYS 69 2HG LYS 69 -7.311 3.271 -7.423 537 HG3 LYS 69 3HG LYS 69 -7.896 4.116 -5.991 538 HD2 LYS 69 2HD LYS 69 -10.219 3.910 -6.817 539 HD3 LYS 69 3HD LYS 69 -9.640 3.039 -8.233 540 HE2 LYS 69 2HE LYS 69 -8.716 1.281 -6.799 541 HE3 LYS 69 3HE LYS 69 -9.271 2.148 -5.366 542 HZ1 LYS 69 3HZ LYS 69 -11.292 1.699 -7.384 543 HZ2 LYS 69 1HZ LYS 69 -11.380 1.516 -5.700 544 HZ3 LYS 69 2HZ LYS 69 -10.700 0.285 -6.652 545 H PHE 70 H PHE 70 -9.144 5.442 -11.347 546 HA PHE 70 HA PHE 70 -7.985 8.125 -11.876 547 HB2 PHE 70 2HB PHE 70 -9.802 6.387 -13.569 548 HB3 PHE 70 3HB PHE 70 -9.020 7.881 -14.088 549 HD1 PHE 70 HD1 PHE 70 -8.240 4.496 -12.670 550 HD2 PHE 70 HD2 PHE 70 -6.869 7.808 -15.041 551 HE1 PHE 70 HE1 PHE 70 -6.201 3.223 -13.272 552 HE2 PHE 70 HE2 PHE 70 -4.831 6.525 -15.647 553 HZ PHE 70 HZ PHE 70 -4.497 4.239 -14.759 554 H ILE 71 H ILE 71 -9.236 9.947 -12.000 555 HA ILE 71 HA ILE 71 -12.087 9.747 -11.090 556 HB ILE 71 HB ILE 71 -10.004 11.841 -10.420 557 HG12 ILE 71 2HG1 ILE 71 -11.567 9.938 -8.642 558 HG13 ILE 71 3HG1 ILE 71 -9.915 9.649 -9.180 559 HG21 ILE 71 1HG2 ILE 71 -12.985 11.689 -9.918 560 HG22 ILE 71 2HG2 ILE 71 -12.082 12.986 -10.700 561 HG23 ILE 71 3HG2 ILE 71 -11.919 12.722 -8.964 562 HD11 ILE 71 3HD1 ILE 71 -10.945 11.755 -7.294 563 HD12 ILE 71 1HD1 ILE 71 -9.438 12.022 -8.172 564 HD13 ILE 71 2HD1 ILE 71 -9.591 10.645 -7.083 565 H ASN 72 H ASN 72 -13.546 10.859 -12.290 566 HA ASN 72 HA ASN 72 -13.270 11.527 -14.922 567 HB2 ASN 72 2HB ASN 72 -14.926 13.120 -12.941 568 HB3 ASN 72 3HB ASN 72 -15.189 13.045 -14.684 569 HD21 ASN 72 1HD2 ASN 72 -15.855 11.450 -11.679 570 HD22 ASN 72 2HD2 ASN 72 -16.613 10.078 -12.330 571 H GLY 73 H GLY 73 -11.279 12.472 -15.412 572 HA2 GLY 73 2HA GLY 73 -10.947 15.066 -16.021 573 HA3 GLY 73 3HA GLY 73 -10.606 15.123 -14.289 574 H ARG 74 H ARG 74 -9.049 13.172 -13.636 575 HA ARG 74 HA ARG 74 -7.176 12.219 -15.556 576 HB2 ARG 74 2HB ARG 74 -5.222 13.706 -14.746 577 HB3 ARG 74 3HB ARG 74 -6.354 14.415 -15.893 578 HG2 ARG 74 2HG ARG 74 -7.567 15.489 -14.035 579 HG3 ARG 74 3HG ARG 74 -6.453 14.756 -12.883 580 HD2 ARG 74 2HD ARG 74 -4.595 15.920 -14.313 581 HD3 ARG 74 3HD ARG 74 -5.921 16.920 -14.907 582 HE ARG 74 HE ARG 74 -4.762 17.008 -12.228 583 HH11 ARG 74 1HH2 ARG 74 -7.524 17.614 -14.215 584 HH12 ARG 74 2HH2 ARG 74 -8.154 18.844 -13.174 585 HH21 ARG 74 1HH1 ARG 74 -5.570 18.602 -10.880 586 HH22 ARG 74 2HH1 ARG 74 -7.050 19.403 -11.288 587 HA PRO 75 HA PRO 75 -6.019 9.557 -12.185 588 HB2 PRO 75 2HB PRO 75 -3.155 10.234 -12.773 589 HB3 PRO 75 3HB PRO 75 -3.927 8.644 -12.618 590 HG2 PRO 75 2HG PRO 75 -3.280 9.693 -15.006 591 HG3 PRO 75 3HG PRO 75 -4.701 8.663 -14.775 592 HD2 PRO 75 2HD PRO 75 -4.579 11.588 -15.256 593 HD3 PRO 75 3HD PRO 75 -5.888 10.436 -15.584 594 H THR 76 H THR 76 -5.876 9.900 -10.026 595 HA THR 76 HA THR 76 -4.209 12.106 -8.954 596 HB THR 76 HB THR 76 -7.105 11.844 -8.133 597 HG1 THR 76 HG1 THR 76 -7.506 12.573 -10.059 598 HG21 THR 76 3HG2 THR 76 -6.748 14.122 -7.312 599 HG22 THR 76 1HG2 THR 76 -5.111 14.121 -7.969 600 HG23 THR 76 2HG2 THR 76 -5.528 13.041 -6.639 601 H ALA 77 H ALA 77 -6.004 9.102 -8.518 602 HA ALA 77 HA ALA 77 -4.579 8.743 -5.895 603 HB1 ALA 77 3HB ALA 77 -6.858 9.201 -5.310 604 HB2 ALA 77 1HB ALA 77 -6.625 7.460 -5.146 605 HB3 ALA 77 2HB ALA 77 -7.460 8.110 -6.557 606 H ILE 78 H ILE 78 -4.009 6.627 -5.387 607 HA ILE 78 HA ILE 78 -4.301 4.587 -7.542 608 HB ILE 78 HB ILE 78 -1.749 5.373 -6.116 609 HG12 ILE 78 2HG1 ILE 78 -2.424 5.307 -9.073 610 HG13 ILE 78 3HG1 ILE 78 -2.536 6.760 -8.082 611 HG21 ILE 78 1HG2 ILE 78 -2.430 3.023 -7.895 612 HG22 ILE 78 2HG2 ILE 78 -1.730 2.988 -6.279 613 HG23 ILE 78 3HG2 ILE 78 -0.774 3.569 -7.642 614 HD11 ILE 78 3HD1 ILE 78 -0.163 6.652 -7.564 615 HD12 ILE 78 1HD1 ILE 78 -0.369 6.584 -9.314 616 HD13 ILE 78 2HD1 ILE 78 -0.015 5.113 -8.410 617 H GLU 79 H GLU 79 -4.769 2.579 -6.781 618 HA GLU 79 HA GLU 79 -4.717 2.171 -3.804 619 HB2 GLU 79 2HB GLU 79 -6.993 2.301 -4.789 620 HB3 GLU 79 3HB GLU 79 -6.589 0.958 -5.858 621 HG2 GLU 79 2HG GLU 79 -6.193 -0.491 -3.909 622 HG3 GLU 79 3HG GLU 79 -6.556 0.853 -2.827 623 H ALA 80 H ALA 80 -4.132 0.094 -3.050 624 HA ALA 80 HA ALA 80 -3.036 -1.839 -5.023 625 HB1 ALA 80 3HB ALA 80 -0.919 -2.011 -3.756 626 HB2 ALA 80 1HB ALA 80 -1.460 -0.714 -2.692 627 HB3 ALA 80 2HB ALA 80 -1.144 -0.381 -4.393 628 H THR 81 H THR 81 -3.078 -3.969 -4.287 629 HA THR 81 HA THR 81 -4.348 -4.413 -1.605 630 HB THR 81 HB THR 81 -4.632 -6.031 -4.146 631 HG1 THR 81 HG1 THR 81 -5.883 -4.211 -4.239 632 HG21 THR 81 3HG2 THR 81 -6.384 -7.218 -2.734 633 HG22 THR 81 1HG2 THR 81 -5.680 -6.407 -1.335 634 HG23 THR 81 2HG2 THR 81 -4.710 -7.534 -2.282 635 H VAL 82 H VAL 82 -3.212 -5.620 -0.206 636 HA VAL 82 HA VAL 82 -0.837 -7.136 -1.231 637 HB VAL 82 HB VAL 82 -1.417 -5.890 1.468 638 HG11 VAL 82 1HG1 VAL 82 0.987 -6.668 1.923 639 HG12 VAL 82 2HG1 VAL 82 0.785 -7.742 0.537 640 HG13 VAL 82 3HG1 VAL 82 -0.260 -7.914 1.945 641 HG21 VAL 82 3HG2 VAL 82 -0.632 -4.470 -0.525 642 HG22 VAL 82 1HG2 VAL 82 0.877 -5.377 -0.437 643 HG23 VAL 82 2HG2 VAL 82 0.362 -4.390 0.930 644 H ILE 83 H ILE 83 -0.853 -9.285 -1.015 645 HA ILE 83 HA ILE 83 -3.149 -10.610 0.257 646 HB ILE 83 HB ILE 83 -0.738 -11.873 -1.070 647 HG12 ILE 83 2HG1 ILE 83 -1.694 -10.325 -2.668 648 HG13 ILE 83 3HG1 ILE 83 -2.222 -11.948 -3.108 649 HG21 ILE 83 1HG2 ILE 83 -2.224 -13.768 -1.392 650 HG22 ILE 83 2HG2 ILE 83 -3.586 -12.857 -0.738 651 HG23 ILE 83 3HG2 ILE 83 -2.248 -13.319 0.313 652 HD11 ILE 83 3HD1 ILE 83 -4.203 -10.681 -3.243 653 HD12 ILE 83 1HD1 ILE 83 -3.810 -9.744 -1.803 654 HD13 ILE 83 2HD1 ILE 83 -4.316 -11.426 -1.649 655 H LEU 84 H LEU 84 -3.105 -11.374 2.291 656 HA LEU 84 HA LEU 84 -0.465 -11.699 3.678 657 HB2 LEU 84 2HB LEU 84 -3.221 -11.234 4.859 658 HB3 LEU 84 3HB LEU 84 -1.709 -11.323 5.764 659 HG LEU 84 HG LEU 84 -2.328 -9.271 3.614 660 HD11 LEU 84 1HD1 LEU 84 -2.396 -9.143 6.637 661 HD12 LEU 84 2HD1 LEU 84 -3.702 -8.772 5.511 662 HD13 LEU 84 3HD1 LEU 84 -2.303 -7.703 5.624 663 HD21 LEU 84 3HD2 LEU 84 0.022 -9.470 3.653 664 HD22 LEU 84 1HD2 LEU 84 0.060 -9.823 5.380 665 HD23 LEU 84 2HD2 LEU 84 -0.264 -8.182 4.818 666 H ASN 85 H ASN 85 -1.577 -13.683 1.943 667 HA ASN 85 HA ASN 85 -3.015 -15.723 3.348 668 HB2 ASN 85 2HB ASN 85 -1.126 -15.818 0.982 669 HB3 ASN 85 3HB ASN 85 -2.012 -17.230 1.557 670 HD21 ASN 85 1HD2 ASN 85 -4.088 -14.797 2.268 671 HD22 ASN 85 2HD2 ASN 85 -4.971 -14.720 0.822 672 H SER 86 H SER 86 0.464 -15.099 2.958 673 HA SER 86 HA SER 86 1.230 -17.505 4.408 674 HB2 SER 86 2HB SER 86 3.050 -15.136 4.036 675 HB3 SER 86 3HB SER 86 3.444 -16.853 4.023 676 HG SER 86 HG SER 86 1.615 -16.110 2.128 677 H GLN 87 H GLN 87 2.226 -17.563 6.490 678 HA GLN 87 HA GLN 87 0.917 -15.916 8.461 679 HB2 GLN 87 2HB GLN 87 2.449 -18.343 8.405 680 HB3 GLN 87 3HB GLN 87 3.192 -17.288 9.601 681 HG2 GLN 87 2HG GLN 87 1.480 -18.645 10.672 682 HG3 GLN 87 3HG GLN 87 0.951 -16.963 10.642 683 HE21 GLN 87 1HE2 GLN 87 0.906 -19.109 7.786 684 HE22 GLN 87 2HE2 GLN 87 -0.785 -19.144 7.642 685 HA PRO 88 HA PRO 88 5.501 -14.179 9.071 686 HB2 PRO 88 2HB PRO 88 6.252 -14.168 6.174 687 HB3 PRO 88 3HB PRO 88 7.263 -14.481 7.599 688 HG2 PRO 88 2HG PRO 88 6.447 -16.448 5.965 689 HG3 PRO 88 3HG PRO 88 6.657 -16.695 7.708 690 HD2 PRO 88 2HD PRO 88 4.137 -16.442 6.138 691 HD3 PRO 88 3HD PRO 88 4.436 -17.332 7.641 692 H GLU 89 H GLU 89 3.640 -13.644 6.108 693 HA GLU 89 HA GLU 89 4.133 -10.833 5.854 694 HB2 GLU 89 2HB GLU 89 1.827 -12.575 4.951 695 HB3 GLU 89 3HB GLU 89 2.003 -10.882 4.488 696 HG2 GLU 89 2HG GLU 89 4.146 -11.357 3.425 697 HG3 GLU 89 3HG GLU 89 4.082 -13.029 3.977 698 H TRP 90 H TRP 90 1.608 -12.669 7.537 699 HA TRP 90 HA TRP 90 0.007 -10.440 8.333 700 HB2 TRP 90 2HB TRP 90 0.352 -13.275 9.199 701 HB3 TRP 90 3HB TRP 90 -0.407 -12.203 10.373 702 HD1 TRP 90 HD1 TRP 90 -1.271 -14.377 7.597 703 HE1 TRP 90 HE1 TRP 90 -3.609 -13.815 6.664 704 HE3 TRP 90 HE3 TRP 90 -2.019 -9.820 9.778 705 HZ2 TRP 90 HZ2 TRP 90 -5.541 -11.704 6.827 706 HZ3 TRP 90 HZ3 TRP 90 -4.110 -8.554 9.370 707 HH2 TRP 90 HH2 TRP 90 -5.869 -9.492 7.896 708 H ASP 91 H ASP 91 2.717 -12.058 9.970 709 HA ASP 91 HA ASP 91 2.655 -10.501 12.354 710 HB2 ASP 91 2HB ASP 91 4.004 -12.539 12.167 711 HB3 ASP 91 3HB ASP 91 5.002 -11.782 10.925 712 H ARG 92 H ARG 92 4.456 -10.036 9.328 713 HA ARG 92 HA ARG 92 5.715 -7.570 10.125 714 HB2 ARG 92 2HB ARG 92 5.093 -8.743 7.401 715 HB3 ARG 92 3HB ARG 92 6.071 -7.295 7.639 716 HG2 ARG 92 2HG ARG 92 6.676 -9.992 8.886 717 HG3 ARG 92 3HG ARG 92 7.433 -9.398 7.410 718 HD2 ARG 92 2HD ARG 92 9.024 -8.646 8.906 719 HD3 ARG 92 3HD ARG 92 7.920 -7.277 9.047 720 HE ARG 92 HE ARG 92 6.989 -9.102 10.920 721 HH11 ARG 92 1HH2 ARG 92 9.984 -7.555 10.189 722 HH12 ARG 92 2HH2 ARG 92 10.535 -7.561 11.831 723 HH21 ARG 92 1HH1 ARG 92 7.689 -9.114 13.056 724 HH22 ARG 92 2HH1 ARG 92 9.237 -8.444 13.454 725 H PHE 93 H PHE 93 2.719 -8.343 8.411 726 HA PHE 93 HA PHE 93 1.995 -5.678 7.680 727 HB2 PHE 93 2HB PHE 93 0.915 -7.751 6.799 728 HB3 PHE 93 3HB PHE 93 0.160 -7.986 8.375 729 HD1 PHE 93 HD2 PHE 93 0.251 -5.890 5.346 730 HD2 PHE 93 HD1 PHE 93 -1.644 -6.540 9.146 731 HE1 PHE 93 HE2 PHE 93 -1.579 -4.346 4.698 732 HE2 PHE 93 HE1 PHE 93 -3.474 -4.995 8.498 733 HZ PHE 93 HZ PHE 93 -3.439 -3.897 6.275 734 H MET 94 H MET 94 1.096 -7.623 10.533 735 HA MET 94 HA MET 94 -0.463 -5.551 11.779 736 HB2 MET 94 2HB MET 94 0.939 -7.985 12.904 737 HB3 MET 94 3HB MET 94 -0.108 -6.941 13.866 738 HG2 MET 94 2HG MET 94 -1.966 -7.376 12.282 739 HG3 MET 94 3HG MET 94 -0.916 -8.451 11.361 740 HE1 MET 94 3HE MET 94 -3.234 -9.484 11.762 741 HE2 MET 94 1HE MET 94 -3.533 -10.686 13.026 742 HE3 MET 94 2HE MET 94 -2.297 -10.975 11.803 743 H ARG 95 H ARG 95 2.933 -6.540 12.120 744 HA ARG 95 HA ARG 95 3.572 -4.671 14.217 745 HB2 ARG 95 2HB ARG 95 4.973 -6.657 13.631 746 HB3 ARG 95 3HB ARG 95 5.410 -5.858 12.121 747 HG2 ARG 95 2HG ARG 95 6.399 -3.986 13.378 748 HG3 ARG 95 3HG ARG 95 5.949 -4.759 14.897 749 HD2 ARG 95 2HD ARG 95 7.764 -6.015 12.821 750 HD3 ARG 95 3HD ARG 95 8.340 -5.151 14.245 751 HE ARG 95 HE ARG 95 7.114 -7.823 14.220 752 HH11 ARG 95 1HH2 ARG 95 8.026 -5.017 16.028 753 HH12 ARG 95 2HH2 ARG 95 8.075 -5.858 17.541 754 HH21 ARG 95 1HH1 ARG 95 7.183 -8.914 16.180 755 HH22 ARG 95 2HH1 ARG 95 7.600 -8.060 17.627 756 H PHE 96 H PHE 96 3.923 -4.532 10.681 757 HA PHE 96 HA PHE 96 5.170 -1.963 10.562 758 HB2 PHE 96 2HB PHE 96 5.071 -3.511 8.636 759 HB3 PHE 96 3HB PHE 96 3.325 -3.291 8.554 760 HD1 PHE 96 HD2 PHE 96 6.556 -1.422 8.409 761 HD2 PHE 96 HD1 PHE 96 2.396 -1.485 7.336 762 HE1 PHE 96 HE2 PHE 96 6.876 0.599 7.015 763 HE2 PHE 96 HE1 PHE 96 2.727 0.540 5.941 764 HZ PHE 96 HZ PHE 96 4.973 1.584 5.785 765 H MET 97 H MET 97 1.756 -2.919 10.342 766 HA MET 97 HA MET 97 0.724 -0.247 10.094 767 HB2 MET 97 2HB MET 97 -0.564 -2.303 9.518 768 HB3 MET 97 3HB MET 97 -0.625 -2.711 11.232 769 HG2 MET 97 2HG MET 97 -1.828 -0.626 11.707 770 HG3 MET 97 3HG MET 97 -1.736 -0.170 10.006 771 HE1 MET 97 3HE MET 97 -4.096 -1.638 12.597 772 HE2 MET 97 1HE MET 97 -5.387 -1.397 11.412 773 HE3 MET 97 2HE MET 97 -4.177 -0.142 11.668 774 H GLU 98 H GLU 98 1.358 -2.370 12.852 775 HA GLU 98 HA GLU 98 0.186 -0.698 14.868 776 HB2 GLU 98 2HB GLU 98 0.820 -3.089 15.212 777 HB3 GLU 98 3HB GLU 98 2.517 -2.619 15.130 778 HG2 GLU 98 2HG GLU 98 2.230 -1.150 17.078 779 HG3 GLU 98 3HG GLU 98 0.520 -1.567 17.153 780 H ARG 99 H ARG 99 3.583 -1.067 13.828 781 HA ARG 99 HA ARG 99 4.570 1.079 15.485 782 HB2 ARG 99 2HB ARG 99 5.679 -0.258 13.006 783 HB3 ARG 99 3HB ARG 99 6.565 0.958 13.922 784 HG2 ARG 99 2HG ARG 99 6.430 -0.444 15.938 785 HG3 ARG 99 3HG ARG 99 5.513 -1.657 15.042 786 HD2 ARG 99 2HD ARG 99 7.847 -2.343 15.130 787 HD3 ARG 99 3HD ARG 99 7.454 -1.892 13.472 788 HE ARG 99 HE ARG 99 8.477 0.401 14.833 789 HH11 ARG 99 1HH2 ARG 99 9.430 -2.687 13.609 790 HH12 ARG 99 2HH2 ARG 99 11.069 -2.206 13.326 791 HH21 ARG 99 1HH1 ARG 99 10.605 1.029 14.465 792 HH22 ARG 99 2HH1 ARG 99 11.733 -0.108 13.806 793 H TYR 100 H TYR 100 3.507 0.869 12.119 794 HA TYR 100 HA TYR 100 4.205 3.524 11.323 795 HB2 TYR 100 2HB TYR 100 3.596 1.795 9.699 796 HB3 TYR 100 3HB TYR 100 1.969 1.717 10.370 797 HD1 TYR 100 HD1 TYR 100 0.408 3.646 10.127 798 HD2 TYR 100 HD2 TYR 100 4.257 3.571 8.220 799 HE1 TYR 100 HE1 TYR 100 -0.300 5.487 8.626 800 HE2 TYR 100 HE2 TYR 100 3.549 5.416 6.722 801 HH TYR 100 HH TYR 100 0.438 6.290 6.228 802 H GLY 101 H GLY 101 1.129 2.207 12.548 803 HA2 GLY 101 2HA GLY 101 -0.253 4.722 12.542 804 HA3 GLY 101 3HA GLY 101 -0.739 3.297 13.456 805 H ALA 102 H ALA 102 1.736 3.077 14.938 806 HA ALA 102 HA ALA 102 1.119 4.707 17.193 807 HB1 ALA 102 3HB ALA 102 3.143 3.852 18.165 808 HB2 ALA 102 1HB ALA 102 3.832 3.521 16.577 809 HB3 ALA 102 2HB ALA 102 2.479 2.555 17.168 810 H GLU 103 H GLU 103 3.650 5.069 14.709 811 HA GLU 103 HA GLU 103 4.480 7.662 15.843 812 HB2 GLU 103 2HB GLU 103 5.362 6.105 13.400 813 HB3 GLU 103 3HB GLU 103 6.044 7.666 13.860 814 HG2 GLU 103 2HG GLU 103 6.764 6.746 16.011 815 HG3 GLU 103 3HG GLU 103 6.019 5.197 15.622 816 H ASN 104 H ASN 104 3.265 6.561 12.664 817 HA ASN 104 HA ASN 104 2.530 9.322 11.951 818 HB2 ASN 104 2HB ASN 104 2.272 6.666 10.520 819 HB3 ASN 104 3HB ASN 104 1.713 8.187 9.832 820 HD21 ASN 104 1HD2 ASN 104 3.815 6.659 8.609 821 HD22 ASN 104 2HD2 ASN 104 5.251 7.556 8.726 822 H GLY 105 H GLY 105 0.531 6.506 11.269 823 HA2 GLY 105 2HA GLY 105 -1.800 6.249 11.467 824 HA3 GLY 105 3HA GLY 105 -1.505 6.663 13.155 825 H LEU 106 H LEU 106 -2.540 7.875 10.051 826 HA LEU 106 HA LEU 106 -3.677 10.277 11.420 827 HB2 LEU 106 2HB LEU 106 -2.246 10.338 8.753 828 HB3 LEU 106 3HB LEU 106 -3.000 11.705 9.572 829 HG LEU 106 HG LEU 106 -1.346 10.851 11.568 830 HD11 LEU 106 1HD1 LEU 106 0.163 10.283 8.999 831 HD12 LEU 106 2HD1 LEU 106 -0.415 9.049 10.116 832 HD13 LEU 106 3HD1 LEU 106 0.813 10.203 10.635 833 HD21 LEU 106 3HD2 LEU 106 -1.493 13.144 10.607 834 HD22 LEU 106 1HD2 LEU 106 -0.453 12.629 9.277 835 HD23 LEU 106 2HD2 LEU 106 0.168 12.651 10.928 836 H GLY 107 H GLY 107 -4.725 11.429 9.086 837 HA2 GLY 107 2HA GLY 107 -6.518 9.331 7.946 838 HA3 GLY 107 3HA GLY 107 -7.220 10.747 8.727 839 H PHE 108 H PHE 108 -7.096 12.759 7.680 840 HA PHE 108 HA PHE 108 -6.485 12.607 4.766 841 HB2 PHE 108 2HB PHE 108 -8.025 14.657 6.390 842 HB3 PHE 108 3HB PHE 108 -7.827 14.693 4.636 843 HD1 PHE 108 HD1 PHE 108 -8.546 12.546 3.336 844 HD2 PHE 108 HD2 PHE 108 -9.838 13.473 7.328 845 HE1 PHE 108 HE1 PHE 108 -10.466 11.001 3.073 846 HE2 PHE 108 HE2 PHE 108 -11.757 11.923 7.065 847 HZ PHE 108 HZ PHE 108 -12.071 10.688 4.938 848 H SER 109 H SER 109 -4.598 13.096 7.193 849 HA SER 109 HA SER 109 -3.621 15.785 6.972 850 HB2 SER 109 2HB SER 109 -3.085 14.452 8.917 851 HB3 SER 109 3HB SER 109 -2.277 13.247 7.921 852 HG SER 109 HG SER 109 -1.529 15.975 8.194 853 H LYS 110 H LYS 110 -1.910 16.633 5.830 854 HA LYS 110 HA LYS 110 -0.770 16.973 3.800 855 HB2 LYS 110 2HB LYS 110 0.409 14.383 4.835 856 HB3 LYS 110 3HB LYS 110 1.139 15.360 3.561 857 HG2 LYS 110 2HG LYS 110 1.134 17.314 5.156 858 HG3 LYS 110 3HG LYS 110 0.608 16.207 6.425 859 HD2 LYS 110 2HD LYS 110 3.123 15.801 4.783 860 HD3 LYS 110 3HD LYS 110 3.107 16.599 6.355 861 HE2 LYS 110 2HE LYS 110 1.932 14.470 7.222 862 HE3 LYS 110 3HE LYS 110 2.443 13.726 5.709 863 HZ1 LYS 110 3HZ LYS 110 4.730 14.710 6.372 864 HZ2 LYS 110 1HZ LYS 110 4.203 13.254 7.059 865 HZ3 LYS 110 2HZ LYS 110 4.077 14.702 7.940 866 H SER 111 H SER 111 -3.303 15.566 3.458 867 HA SER 111 HA SER 111 -2.670 14.062 0.937 868 HB2 SER 111 2HB SER 111 -4.544 12.570 1.404 869 HB3 SER 111 3HB SER 111 -3.434 12.534 2.773 870 HG SER 111 HG SER 111 -5.015 13.243 3.941 871 H GLU 112 H GLU 112 -5.744 15.012 2.443 872 HA GLU 112 HA GLU 112 -6.603 16.246 -0.084 873 HB2 GLU 112 2HB GLU 112 -7.968 15.832 2.589 874 HB3 GLU 112 3HB GLU 112 -8.745 16.629 1.220 875 HG2 GLU 112 2HG GLU 112 -8.477 14.626 -0.147 876 HG3 GLU 112 3HG GLU 112 -7.583 13.827 1.147 877 H LEU 113 H LEU 113 -4.968 17.234 2.687 878 HA LEU 113 HA LEU 113 -5.946 20.044 2.544 879 HB2 LEU 113 2HB LEU 113 -3.875 18.839 4.406 880 HB3 LEU 113 3HB LEU 113 -4.696 20.385 4.593 881 HG LEU 113 HG LEU 113 -6.096 17.693 4.576 882 HD11 LEU 113 1HD1 LEU 113 -6.235 17.869 6.972 883 HD12 LEU 113 2HD1 LEU 113 -5.505 19.475 6.951 884 HD13 LEU 113 3HD1 LEU 113 -4.539 18.060 6.525 885 HD21 LEU 113 3HD2 LEU 113 -7.673 19.347 3.950 886 HD22 LEU 113 1HD2 LEU 113 -6.979 20.549 5.038 887 HD23 LEU 113 2HD2 LEU 113 -7.898 19.192 5.691 888 H GLU 114 H GLU 114 -2.655 18.864 3.155 889 HA GLU 114 HA GLU 114 -0.614 19.682 2.337 890 HB2 GLU 114 2HB GLU 114 -2.169 19.125 -0.207 891 HB3 GLU 114 3HB GLU 114 -0.432 19.433 -0.160 892 HG2 GLU 114 2HG GLU 114 -0.108 17.513 1.330 893 HG3 GLU 114 3HG GLU 114 -1.846 17.221 1.354 894 H HIS 115 H HIS 115 -3.048 21.660 2.553 895 HA HIS 115 HA HIS 115 -1.969 23.825 0.790 896 HB2 HIS 115 2HB HIS 115 -4.580 23.538 2.302 897 HB3 HIS 115 3HB HIS 115 -4.099 25.010 1.460 898 HD1 HIS 115 HD1 HIS 115 -3.220 24.322 -1.189 899 HD2 HIS 115 HD2 HIS 115 -6.161 22.007 0.647 900 HE1 HIS 115 HE1 HIS 115 -4.436 23.105 -3.046 901 H HIS 116 H HIS 116 -1.664 22.624 3.876 902 HA HIS 116 HA HIS 116 -1.738 25.017 5.467 903 HB2 HIS 116 2HB HIS 116 -0.599 23.702 7.160 904 HB3 HIS 116 3HB HIS 116 -1.807 22.687 6.375 905 HD1 HIS 116 HD1 HIS 116 1.043 21.828 7.751 906 HD2 HIS 116 HD2 HIS 116 0.112 21.932 3.687 907 HE1 HIS 116 HE1 HIS 116 2.663 20.255 6.602 908 H HIS 117 H HIS 117 -0.023 26.293 6.231 909 HA HIS 117 HA HIS 117 1.863 27.627 5.903 910 HB2 HIS 117 2HB HIS 117 2.762 25.432 6.880 911 HB3 HIS 117 3HB HIS 117 3.279 25.039 5.241 912 HD1 HIS 117 HD1 HIS 117 3.406 28.403 7.029 913 HD2 HIS 117 HD2 HIS 117 5.994 25.618 5.321 914 HE1 HIS 117 HE1 HIS 117 5.719 29.434 7.108 915 H HIS 118 H HIS 118 1.497 28.845 4.107 916 HA HIS 118 HA HIS 118 1.470 27.910 1.406 917 HB2 HIS 118 2HB HIS 118 2.032 30.643 2.594 918 HB3 HIS 118 3HB HIS 118 1.876 30.355 0.862 919 HD1 HIS 118 HD1 HIS 118 -0.120 30.401 4.054 920 HD2 HIS 118 HD2 HIS 118 -0.774 29.854 -0.026 921 HE1 HIS 118 HE1 HIS 118 -2.632 30.445 3.716 922 H HIS 119 H HIS 119 4.053 29.270 3.431 923 HA HIS 119 HA HIS 119 6.044 29.230 1.335 924 HB2 HIS 119 2HB HIS 119 6.208 30.663 3.370 925 HB3 HIS 119 3HB HIS 119 6.477 29.212 4.333 926 HD1 HIS 119 HD1 HIS 119 8.703 27.860 3.849 927 HD2 HIS 119 HD2 HIS 119 8.449 31.543 1.911 928 HE1 HIS 119 HE1 HIS 119 11.031 28.385 3.002 929 H HIS 120 H HIS 120 7.685 27.754 0.971 930 HA HIS 120 HA HIS 120 8.563 25.606 0.715 931 HB2 HIS 120 2HB HIS 120 9.430 26.126 2.953 932 HB3 HIS 120 3HB HIS 120 7.944 25.517 3.682 933 HD1 HIS 120 HD1 HIS 120 10.790 24.281 1.468 934 HD2 HIS 120 HD2 HIS 120 7.983 22.791 4.165 935 HE1 HIS 120 HE1 HIS 120 11.334 21.827 1.784 Start of MODEL 11 1 H1 MET 1 1H MET 1 13.007 3.757 8.695 2 H2 MET 1 2H MET 1 12.160 3.390 7.269 3 H3 MET 1 3H MET 1 12.624 2.145 8.329 4 HA MET 1 HA MET 1 11.081 2.777 9.956 5 HB2 MET 1 2HB MET 1 9.648 4.893 9.418 6 HB3 MET 1 3HB MET 1 11.270 5.116 10.071 7 HG2 MET 1 2HG MET 1 10.819 5.017 7.090 8 HG3 MET 1 3HG MET 1 10.590 6.515 7.991 9 HE1 MET 1 3HE MET 1 12.390 7.155 6.053 10 HE2 MET 1 1HE MET 1 12.795 5.488 5.619 11 HE3 MET 1 2HE MET 1 14.069 6.622 6.059 12 H ALA 2 H ALA 2 8.524 3.113 9.562 13 HA ALA 2 HA ALA 2 7.849 1.169 7.470 14 HB1 ALA 2 3HB ALA 2 5.497 1.566 8.415 15 HB2 ALA 2 1HB ALA 2 6.271 2.595 9.621 16 HB3 ALA 2 2HB ALA 2 6.682 0.882 9.526 17 H GLU 3 H GLU 3 7.674 1.953 5.407 18 HA GLU 3 HA GLU 3 5.789 4.154 4.904 19 HB2 GLU 3 2HB GLU 3 7.425 5.448 3.549 20 HB3 GLU 3 3HB GLU 3 7.875 5.396 5.254 21 HG2 GLU 3 2HG GLU 3 9.438 3.543 4.783 22 HG3 GLU 3 3HG GLU 3 8.999 3.610 3.076 23 H ILE 4 H ILE 4 5.267 4.315 2.597 24 HA ILE 4 HA ILE 4 5.798 1.745 1.137 25 HB ILE 4 HB ILE 4 3.516 3.728 0.862 26 HG12 ILE 4 2HG1 ILE 4 3.509 0.904 1.956 27 HG13 ILE 4 3HG1 ILE 4 3.571 2.342 2.973 28 HG21 ILE 4 1HG2 ILE 4 4.105 1.068 -0.471 29 HG22 ILE 4 2HG2 ILE 4 3.954 2.640 -1.257 30 HG23 ILE 4 3HG2 ILE 4 2.539 1.875 -0.540 31 HD11 ILE 4 3HD1 ILE 4 1.264 1.707 2.832 32 HD12 ILE 4 1HD1 ILE 4 1.359 1.515 1.083 33 HD13 ILE 4 2HD1 ILE 4 1.460 3.119 1.802 34 H GLN 5 H GLN 5 6.907 1.896 -0.791 35 HA GLN 5 HA GLN 5 6.986 4.551 -2.176 36 HB2 GLN 5 2HB GLN 5 9.373 2.838 -1.423 37 HB3 GLN 5 3HB GLN 5 9.442 4.167 -2.584 38 HG2 GLN 5 2HG GLN 5 8.627 5.723 -0.852 39 HG3 GLN 5 3HG GLN 5 8.560 4.400 0.309 40 HE21 GLN 5 1HE2 GLN 5 10.287 4.777 1.724 41 HE22 GLN 5 2HE2 GLN 5 11.883 5.089 1.236 42 H PHE 6 H PHE 6 6.396 4.267 -4.244 43 HA PHE 6 HA PHE 6 6.025 1.670 -5.421 44 HB2 PHE 6 2HB PHE 6 6.139 4.435 -6.650 45 HB3 PHE 6 3HB PHE 6 5.661 2.988 -7.531 46 HD1 PHE 6 HD1 PHE 6 3.658 1.648 -6.684 47 HD2 PHE 6 HD2 PHE 6 4.595 5.596 -5.272 48 HE1 PHE 6 HE1 PHE 6 1.338 1.901 -5.843 49 HE2 PHE 6 HE2 PHE 6 2.277 5.846 -4.430 50 HZ PHE 6 HZ PHE 6 0.648 3.999 -4.718 51 H SER 7 H SER 7 8.555 4.149 -5.728 52 HA SER 7 HA SER 7 10.260 2.146 -7.181 53 HB2 SER 7 2HB SER 7 10.029 5.130 -7.652 54 HB3 SER 7 3HB SER 7 11.274 4.105 -8.361 55 HG SER 7 HG SER 7 9.099 4.544 -9.488 56 H LYS 8 H LYS 8 12.504 2.275 -6.750 57 HA LYS 8 HA LYS 8 13.154 2.932 -4.016 58 HB2 LYS 8 2HB LYS 8 15.532 2.361 -4.835 59 HB3 LYS 8 3HB LYS 8 14.314 1.089 -4.924 60 HG2 LYS 8 2HG LYS 8 13.987 1.446 -7.277 61 HG3 LYS 8 3HG LYS 8 14.944 2.926 -7.243 62 HD2 LYS 8 2HD LYS 8 16.319 1.155 -8.158 63 HD3 LYS 8 3HD LYS 8 16.927 1.552 -6.553 64 HE2 LYS 8 2HE LYS 8 15.974 -0.394 -5.588 65 HE3 LYS 8 3HE LYS 8 14.921 -0.669 -6.975 66 HZ1 LYS 8 3HZ LYS 8 17.677 -0.585 -7.711 67 HZ2 LYS 8 1HZ LYS 8 16.515 -1.778 -8.023 68 HZ3 LYS 8 2HZ LYS 8 17.373 -1.793 -6.556 69 H GLY 9 H GLY 9 14.220 4.695 -3.186 70 HA2 GLY 9 2HA GLY 9 15.604 6.656 -3.264 71 HA3 GLY 9 3HA GLY 9 15.455 6.674 -5.024 72 H VAL 10 H VAL 10 12.415 6.088 -3.967 73 HA VAL 10 HA VAL 10 11.487 8.760 -4.579 74 HB VAL 10 HB VAL 10 10.118 6.333 -3.389 75 HG11 VAL 10 1HG1 VAL 10 8.013 7.579 -4.112 76 HG12 VAL 10 2HG1 VAL 10 9.017 9.025 -4.212 77 HG13 VAL 10 3HG1 VAL 10 8.817 8.196 -2.669 78 HG21 VAL 10 3HG2 VAL 10 11.015 6.328 -5.800 79 HG22 VAL 10 1HG2 VAL 10 9.780 7.543 -6.138 80 HG23 VAL 10 2HG2 VAL 10 9.309 5.936 -5.584 81 H ALA 11 H ALA 11 11.543 6.842 -1.564 82 HA ALA 11 HA ALA 11 11.510 7.503 0.675 83 HB1 ALA 11 3HB ALA 11 12.464 10.206 -0.270 84 HB2 ALA 11 1HB ALA 11 13.534 8.805 -0.214 85 HB3 ALA 11 2HB ALA 11 12.791 9.407 1.267 86 H GLU 12 H GLU 12 10.079 8.455 2.123 87 HA GLU 12 HA GLU 12 8.102 9.479 2.814 88 HB2 GLU 12 2HB GLU 12 9.506 11.512 2.250 89 HB3 GLU 12 3HB GLU 12 8.713 11.543 0.680 90 HG2 GLU 12 2HG GLU 12 7.147 11.542 3.270 91 HG3 GLU 12 3HG GLU 12 7.683 13.030 2.494 92 H THR 13 H THR 13 7.699 10.716 -0.465 93 HA THR 13 HA THR 13 6.287 10.037 -2.201 94 HB THR 13 HB THR 13 5.182 7.752 -0.568 95 HG1 THR 13 HG1 THR 13 6.985 6.532 -1.328 96 HG21 THR 13 3HG2 THR 13 5.204 6.668 -2.812 97 HG22 THR 13 1HG2 THR 13 5.839 8.163 -3.498 98 HG23 THR 13 2HG2 THR 13 4.233 8.140 -2.772 99 H VAL 14 H VAL 14 4.380 8.906 0.612 100 HA VAL 14 HA VAL 14 2.979 11.382 0.921 101 HB VAL 14 HB VAL 14 2.232 10.318 -1.427 102 HG11 VAL 14 1HG1 VAL 14 0.420 8.804 -1.340 103 HG12 VAL 14 2HG1 VAL 14 0.213 9.022 0.397 104 HG13 VAL 14 3HG1 VAL 14 1.612 8.142 -0.220 105 HG21 VAL 14 3HG2 VAL 14 0.145 11.492 -1.259 106 HG22 VAL 14 1HG2 VAL 14 1.320 12.378 -0.290 107 HG23 VAL 14 2HG2 VAL 14 0.131 11.339 0.493 108 H VAL 15 H VAL 15 0.706 10.803 2.063 109 HA VAL 15 HA VAL 15 1.265 8.618 4.034 110 HB VAL 15 HB VAL 15 -0.274 11.196 4.386 111 HG11 VAL 15 1HG1 VAL 15 0.308 8.857 6.224 112 HG12 VAL 15 2HG1 VAL 15 -1.273 9.470 5.741 113 HG13 VAL 15 3HG1 VAL 15 -0.245 10.429 6.804 114 HG21 VAL 15 3HG2 VAL 15 2.458 10.224 5.260 115 HG22 VAL 15 1HG2 VAL 15 1.634 11.558 6.068 116 HG23 VAL 15 2HG2 VAL 15 2.061 11.690 4.363 117 HA PRO 16 HA PRO 16 -2.641 7.496 1.799 118 HB2 PRO 16 2HB PRO 16 -2.131 4.849 1.464 119 HB3 PRO 16 3HB PRO 16 -1.432 6.090 0.408 120 HG2 PRO 16 2HG PRO 16 -0.169 4.607 2.657 121 HG3 PRO 16 3HG PRO 16 0.515 5.103 1.101 122 HD2 PRO 16 2HD PRO 16 0.915 6.456 3.496 123 HD3 PRO 16 3HD PRO 16 1.120 7.183 1.888 124 H GLU 17 H GLU 17 -4.509 6.315 2.538 125 HA GLU 17 HA GLU 17 -4.543 5.897 5.438 126 HB2 GLU 17 2HB GLU 17 -6.680 5.561 3.309 127 HB3 GLU 17 3HB GLU 17 -6.965 5.399 5.042 128 HG2 GLU 17 2HG GLU 17 -5.845 7.886 3.721 129 HG3 GLU 17 3HG GLU 17 -7.536 7.674 4.173 130 H VAL 18 H VAL 18 -5.203 3.882 6.441 131 HA VAL 18 HA VAL 18 -4.425 1.471 4.826 132 HB VAL 18 HB VAL 18 -4.303 2.051 7.801 133 HG11 VAL 18 1HG1 VAL 18 -3.897 -0.512 6.246 134 HG12 VAL 18 2HG1 VAL 18 -4.929 -0.243 7.651 135 HG13 VAL 18 3HG1 VAL 18 -3.175 -0.255 7.835 136 HG21 VAL 18 3HG2 VAL 18 -2.466 3.037 6.595 137 HG22 VAL 18 1HG2 VAL 18 -2.230 1.569 5.647 138 HG23 VAL 18 2HG2 VAL 18 -1.856 1.574 7.370 139 H ARG 19 H ARG 19 -6.002 0.005 4.451 140 HA ARG 19 HA ARG 19 -8.373 -0.095 6.277 141 HB2 ARG 19 2HB ARG 19 -8.968 1.218 4.248 142 HB3 ARG 19 3HB ARG 19 -8.490 -0.151 3.241 143 HG2 ARG 19 2HG ARG 19 -10.185 -1.564 4.361 144 HG3 ARG 19 3HG ARG 19 -10.670 -0.188 5.353 145 HD2 ARG 19 2HD ARG 19 -11.216 1.062 3.258 146 HD3 ARG 19 3HD ARG 19 -10.854 -0.397 2.334 147 HE ARG 19 HE ARG 19 -13.225 0.039 4.024 148 HH11 ARG 19 1HH2 ARG 19 -11.130 -2.163 2.386 149 HH12 ARG 19 2HH2 ARG 19 -12.327 -3.406 2.254 150 HH21 ARG 19 1HH1 ARG 19 -14.795 -1.578 3.860 151 HH22 ARG 19 2HH1 ARG 19 -14.399 -3.075 3.086 152 H LEU 20 H LEU 20 -8.888 -2.156 6.826 153 HA LEU 20 HA LEU 20 -7.325 -4.349 5.555 154 HB2 LEU 20 2HB LEU 20 -8.794 -4.000 8.162 155 HB3 LEU 20 3HB LEU 20 -8.409 -5.619 7.583 156 HG LEU 20 HG LEU 20 -6.674 -4.634 9.127 157 HD11 LEU 20 1HD1 LEU 20 -6.257 -6.283 7.049 158 HD12 LEU 20 2HD1 LEU 20 -4.931 -5.668 8.028 159 HD13 LEU 20 3HD1 LEU 20 -5.294 -4.918 6.478 160 HD21 LEU 20 3HD2 LEU 20 -7.026 -2.293 8.107 161 HD22 LEU 20 1HD2 LEU 20 -5.960 -2.832 6.810 162 HD23 LEU 20 2HD2 LEU 20 -5.367 -2.766 8.468 163 H SER 21 H SER 21 -8.296 -5.922 4.353 164 HA SER 21 HA SER 21 -11.300 -5.911 4.169 165 HB2 SER 21 2HB SER 21 -9.207 -6.208 2.001 166 HB3 SER 21 3HB SER 21 -10.898 -6.643 1.771 167 HG SER 21 HG SER 21 -9.771 -4.114 2.362 168 H LYS 22 H LYS 22 -12.258 -7.977 3.899 169 HA LYS 22 HA LYS 22 -10.435 -10.334 4.253 170 HB2 LYS 22 2HB LYS 22 -12.991 -9.684 5.739 171 HB3 LYS 22 3HB LYS 22 -12.235 -11.277 5.753 172 HG2 LYS 22 2HG LYS 22 -10.162 -10.293 6.652 173 HG3 LYS 22 3HG LYS 22 -10.909 -8.696 6.629 174 HD2 LYS 22 2HD LYS 22 -12.656 -9.499 8.187 175 HD3 LYS 22 3HD LYS 22 -11.873 -11.079 8.236 176 HE2 LYS 22 2HE LYS 22 -10.582 -8.462 9.067 177 HE3 LYS 22 3HE LYS 22 -11.212 -9.682 10.173 178 HZ1 LYS 22 3HZ LYS 22 -8.953 -10.154 10.012 179 HZ2 LYS 22 1HZ LYS 22 -8.901 -9.874 8.341 180 HZ3 LYS 22 2HZ LYS 22 -9.665 -11.267 8.944 181 H SER 23 H SER 23 -11.039 -12.166 3.142 182 HA SER 23 HA SER 23 -12.870 -11.815 0.917 183 HB2 SER 23 2HB SER 23 -11.211 -14.122 1.930 184 HB3 SER 23 3HB SER 23 -12.295 -14.289 0.551 185 HG SER 23 HG SER 23 -9.993 -12.697 0.857 186 H LYS 24 H LYS 24 -14.325 -13.981 0.550 187 HA LYS 24 HA LYS 24 -16.515 -13.735 2.356 188 HB2 LYS 24 2HB LYS 24 -15.788 -15.752 0.227 189 HB3 LYS 24 3HB LYS 24 -17.238 -15.950 1.206 190 HG2 LYS 24 2HG LYS 24 -17.906 -14.788 -0.779 191 HG3 LYS 24 3HG LYS 24 -17.933 -13.613 0.531 192 HD2 LYS 24 2HD LYS 24 -15.328 -13.791 -0.919 193 HD3 LYS 24 3HD LYS 24 -16.674 -13.208 -1.893 194 HE2 LYS 24 2HE LYS 24 -17.083 -11.373 -0.427 195 HE3 LYS 24 3HE LYS 24 -16.051 -12.048 0.833 196 HZ1 LYS 24 3HZ LYS 24 -14.165 -11.822 -0.735 197 HZ2 LYS 24 1HZ LYS 24 -14.853 -10.339 -0.283 198 HZ3 LYS 24 2HZ LYS 24 -15.196 -11.002 -1.808 199 H ASN 25 H ASN 25 -17.043 -14.798 4.190 200 HA ASN 25 HA ASN 25 -16.777 -16.132 6.091 201 HB2 ASN 25 2HB ASN 25 -17.288 -17.905 4.386 202 HB3 ASN 25 3HB ASN 25 -15.554 -18.102 4.129 203 HD21 ASN 25 1HD2 ASN 25 -18.107 -18.391 6.623 204 HD22 ASN 25 2HD2 ASN 25 -17.248 -19.478 7.603 205 H GLY 26 H GLY 26 -14.446 -14.470 4.832 206 HA2 GLY 26 2HA GLY 26 -12.323 -13.868 5.654 207 HA3 GLY 26 3HA GLY 26 -12.548 -15.053 6.946 208 H GLN 27 H GLN 27 -13.032 -16.193 3.747 209 HA GLN 27 HA GLN 27 -11.254 -18.314 3.851 210 HB2 GLN 27 2HB GLN 27 -12.935 -17.952 2.054 211 HB3 GLN 27 3HB GLN 27 -11.903 -16.697 1.371 212 HG2 GLN 27 2HG GLN 27 -10.094 -18.339 1.047 213 HG3 GLN 27 3HG GLN 27 -11.105 -19.599 1.755 214 HE21 GLN 27 1HE2 GLN 27 -10.129 -19.814 -0.925 215 HE22 GLN 27 2HE2 GLN 27 -11.448 -19.706 -1.987 216 H SER 28 H SER 28 -10.407 -15.708 1.584 217 HA SER 28 HA SER 28 -7.554 -16.100 2.341 218 HB2 SER 28 2HB SER 28 -8.950 -14.930 -0.066 219 HB3 SER 28 3HB SER 28 -7.227 -14.682 0.208 220 HG SER 28 HG SER 28 -8.486 -16.830 -0.764 221 H GLY 29 H GLY 29 -6.578 -14.646 3.612 222 HA2 GLY 29 2HA GLY 29 -7.927 -12.178 4.376 223 HA3 GLY 29 3HA GLY 29 -6.363 -12.736 4.967 224 H MET 30 H MET 30 -7.253 -10.052 3.866 225 HA MET 30 HA MET 30 -4.845 -9.589 2.285 226 HB2 MET 30 2HB MET 30 -6.332 -8.478 0.420 227 HB3 MET 30 3HB MET 30 -6.048 -10.218 0.376 228 HG2 MET 30 2HG MET 30 -8.188 -10.643 1.454 229 HG3 MET 30 3HG MET 30 -8.464 -8.912 1.654 230 HE1 MET 30 3HE MET 30 -10.505 -10.577 0.641 231 HE2 MET 30 1HE MET 30 -11.017 -10.194 -1.009 232 HE3 MET 30 2HE MET 30 -10.877 -8.915 0.194 233 H ALA 31 H ALA 31 -4.717 -7.190 1.706 234 HA ALA 31 HA ALA 31 -6.416 -5.476 3.468 235 HB1 ALA 31 3HB ALA 31 -3.388 -5.302 3.347 236 HB2 ALA 31 1HB ALA 31 -4.281 -6.060 4.667 237 HB3 ALA 31 2HB ALA 31 -4.468 -4.335 4.352 238 H LYS 32 H LYS 32 -6.755 -3.413 2.600 239 HA LYS 32 HA LYS 32 -5.638 -2.957 -0.151 240 HB2 LYS 32 2HB LYS 32 -8.224 -2.055 1.141 241 HB3 LYS 32 3HB LYS 32 -7.665 -1.504 -0.440 242 HG2 LYS 32 2HG LYS 32 -7.600 -3.851 -1.223 243 HG3 LYS 32 3HG LYS 32 -8.192 -4.383 0.350 244 HD2 LYS 32 2HD LYS 32 -10.252 -3.093 0.040 245 HD3 LYS 32 3HD LYS 32 -9.659 -2.492 -1.509 246 HE2 LYS 32 2HE LYS 32 -11.175 -4.373 -1.894 247 HE3 LYS 32 3HE LYS 32 -9.533 -4.838 -2.336 248 HZ1 LYS 32 3HZ LYS 32 -11.221 -6.016 -0.433 249 HZ2 LYS 32 1HZ LYS 32 -9.876 -5.379 0.378 250 HZ3 LYS 32 2HZ LYS 32 -9.654 -6.487 -0.891 251 H PHE 33 H PHE 33 -4.807 -0.923 -0.653 252 HA PHE 33 HA PHE 33 -4.434 0.980 1.646 253 HB2 PHE 33 2HB PHE 33 -2.536 0.107 -0.546 254 HB3 PHE 33 3HB PHE 33 -2.275 1.571 0.405 255 HD1 PHE 33 HD2 PHE 33 -2.459 -2.111 0.504 256 HD2 PHE 33 HD1 PHE 33 -1.704 1.462 2.763 257 HE1 PHE 33 HE2 PHE 33 -1.506 -3.475 2.341 258 HE2 PHE 33 HE1 PHE 33 -0.752 0.097 4.602 259 HZ PHE 33 HZ PHE 33 -0.653 -2.371 4.392 260 H TYR 34 H TYR 34 -5.119 3.028 1.240 261 HA TYR 34 HA TYR 34 -5.994 3.679 -1.555 262 HB2 TYR 34 2HB TYR 34 -7.650 3.749 0.376 263 HB3 TYR 34 3HB TYR 34 -6.728 5.116 1.006 264 HD1 TYR 34 HD1 TYR 34 -8.657 3.900 -1.935 265 HD2 TYR 34 HD2 TYR 34 -6.939 7.292 0.063 266 HE1 TYR 34 HE1 TYR 34 -9.839 5.419 -3.499 267 HE2 TYR 34 HE2 TYR 34 -8.122 8.811 -1.498 268 HH TYR 34 HH TYR 34 -9.110 8.767 -3.707 269 H PHE 35 H PHE 35 -4.851 5.200 -2.655 270 HA PHE 35 HA PHE 35 -2.896 6.894 -1.133 271 HB2 PHE 35 2HB PHE 35 -2.883 5.929 -4.000 272 HB3 PHE 35 3HB PHE 35 -1.676 7.006 -3.297 273 HD1 PHE 35 HD2 PHE 35 -3.125 3.596 -3.163 274 HD2 PHE 35 HD1 PHE 35 0.030 6.178 -1.808 275 HE1 PHE 35 HE2 PHE 35 -1.908 1.634 -2.262 276 HE2 PHE 35 HE1 PHE 35 1.248 4.211 -0.909 277 HZ PHE 35 HZ PHE 35 0.277 1.943 -1.133 278 H LEU 36 H LEU 36 -3.644 8.938 -0.910 279 HA LEU 36 HA LEU 36 -5.519 10.023 -2.944 280 HB2 LEU 36 2HB LEU 36 -6.186 10.287 -0.621 281 HB3 LEU 36 3HB LEU 36 -4.649 11.048 -0.223 282 HG LEU 36 HG LEU 36 -5.176 12.953 -1.668 283 HD11 LEU 36 1HD1 LEU 36 -7.538 11.235 -2.420 284 HD12 LEU 36 2HD1 LEU 36 -6.425 12.109 -3.470 285 HD13 LEU 36 3HD1 LEU 36 -7.640 12.992 -2.552 286 HD21 LEU 36 3HD2 LEU 36 -7.636 12.369 -0.009 287 HD22 LEU 36 1HD2 LEU 36 -6.884 13.933 -0.326 288 HD23 LEU 36 2HD2 LEU 36 -6.079 12.764 0.721 289 H GLU 37 H GLU 37 -4.762 11.274 -4.538 290 HA GLU 37 HA GLU 37 -3.179 12.451 -5.841 291 HB2 GLU 37 2HB GLU 37 -3.458 13.992 -3.260 292 HB3 GLU 37 3HB GLU 37 -2.546 14.618 -4.634 293 HG2 GLU 37 2HG GLU 37 -5.391 13.633 -4.910 294 HG3 GLU 37 3HG GLU 37 -5.012 15.309 -4.509 295 HA PRO 38 HA PRO 38 0.502 10.683 -3.426 296 HB2 PRO 38 2HB PRO 38 1.172 8.798 -5.369 297 HB3 PRO 38 3HB PRO 38 0.196 8.463 -3.928 298 HG2 PRO 38 2HG PRO 38 -0.680 8.934 -6.734 299 HG3 PRO 38 3HG PRO 38 -1.361 7.861 -5.501 300 HD2 PRO 38 2HD PRO 38 -2.496 10.261 -6.170 301 HD3 PRO 38 3HD PRO 38 -2.647 9.540 -4.554 302 H THR 39 H THR 39 2.634 11.274 -3.867 303 HA THR 39 HA THR 39 3.079 13.273 -5.893 304 HB THR 39 HB THR 39 5.435 13.177 -5.088 305 HG1 THR 39 HG1 THR 39 4.985 11.482 -3.056 306 HG21 THR 39 3HG2 THR 39 3.939 14.562 -3.818 307 HG22 THR 39 1HG2 THR 39 4.876 13.631 -2.649 308 HG23 THR 39 2HG2 THR 39 3.219 13.162 -3.026 309 H ILE 40 H ILE 40 3.532 9.803 -5.811 310 HA ILE 40 HA ILE 40 5.536 9.546 -7.799 311 HB ILE 40 HB ILE 40 4.381 7.751 -6.277 312 HG12 ILE 40 2HG1 ILE 40 4.851 5.974 -8.165 313 HG13 ILE 40 3HG1 ILE 40 5.390 7.367 -9.099 314 HG21 ILE 40 1HG2 ILE 40 2.127 8.261 -7.440 315 HG22 ILE 40 2HG2 ILE 40 2.540 6.569 -7.158 316 HG23 ILE 40 3HG2 ILE 40 2.744 7.272 -8.764 317 HD11 ILE 40 3HD1 ILE 40 7.100 7.888 -7.474 318 HD12 ILE 40 1HD1 ILE 40 7.214 6.163 -7.812 319 HD13 ILE 40 2HD1 ILE 40 6.447 6.721 -6.328 320 H LEU 41 H LEU 41 2.679 11.130 -8.170 321 HA LEU 41 HA LEU 41 2.114 10.199 -10.926 322 HB2 LEU 41 2HB LEU 41 0.851 12.410 -9.273 323 HB3 LEU 41 3HB LEU 41 0.251 11.800 -10.815 324 HG LEU 41 HG LEU 41 0.558 10.160 -8.284 325 HD11 LEU 41 1HD1 LEU 41 -1.820 11.462 -9.619 326 HD12 LEU 41 2HD1 LEU 41 -1.266 11.652 -7.956 327 HD13 LEU 41 3HD1 LEU 41 -1.998 10.133 -8.473 328 HD21 LEU 41 3HD2 LEU 41 -0.253 9.501 -11.110 329 HD22 LEU 41 1HD2 LEU 41 -1.007 8.622 -9.778 330 HD23 LEU 41 2HD2 LEU 41 0.739 8.573 -9.988 331 H ALA 42 H ALA 42 4.203 12.349 -9.413 332 HA ALA 42 HA ALA 42 4.210 14.287 -11.683 333 HB1 ALA 42 3HB ALA 42 5.850 14.352 -9.134 334 HB2 ALA 42 1HB ALA 42 4.248 15.075 -9.279 335 HB3 ALA 42 2HB ALA 42 5.577 15.675 -10.270 336 H LYS 43 H LYS 43 6.052 11.677 -10.244 337 HA LYS 43 HA LYS 43 8.384 12.239 -12.003 338 HB2 LYS 43 2HB LYS 43 7.905 10.206 -9.815 339 HB3 LYS 43 3HB LYS 43 9.380 10.274 -10.779 340 HG2 LYS 43 2HG LYS 43 9.653 12.671 -10.056 341 HG3 LYS 43 3HG LYS 43 8.299 12.436 -8.951 342 HD2 LYS 43 2HD LYS 43 10.802 10.725 -8.939 343 HD3 LYS 43 3HD LYS 43 10.559 12.112 -7.880 344 HE2 LYS 43 2HE LYS 43 8.376 10.946 -7.149 345 HE3 LYS 43 3HE LYS 43 9.033 9.506 -7.927 346 HZ1 LYS 43 3HZ LYS 43 10.922 10.840 -6.230 347 HZ2 LYS 43 1HZ LYS 43 10.492 9.200 -6.296 348 HZ3 LYS 43 2HZ LYS 43 9.553 10.288 -5.391 349 H GLU 44 H GLU 44 6.896 9.124 -11.105 350 HA GLU 44 HA GLU 44 7.155 8.276 -13.950 351 HB2 GLU 44 2HB GLU 44 6.733 6.724 -11.383 352 HB3 GLU 44 3HB GLU 44 6.742 5.989 -12.989 353 HG2 GLU 44 2HG GLU 44 9.014 6.819 -13.384 354 HG3 GLU 44 3HG GLU 44 9.012 7.617 -11.810 355 H SER 45 H SER 45 5.404 7.285 -15.044 356 HA SER 45 HA SER 45 2.813 8.444 -14.449 357 HB2 SER 45 2HB SER 45 2.102 7.024 -16.425 358 HB3 SER 45 3HB SER 45 3.425 8.140 -16.757 359 HG SER 45 HG SER 45 4.855 6.465 -16.632 360 H THR 46 H THR 46 0.826 7.086 -14.247 361 HA THR 46 HA THR 46 1.043 5.192 -12.094 362 HB THR 46 HB THR 46 -1.390 4.812 -12.560 363 HG1 THR 46 HG1 THR 46 -1.699 5.036 -14.655 364 HG21 THR 46 3HG2 THR 46 -0.451 6.809 -11.263 365 HG22 THR 46 1HG2 THR 46 -2.077 7.004 -11.914 366 HG23 THR 46 2HG2 THR 46 -0.706 7.752 -12.732 367 H ASP 47 H ASP 47 0.839 4.866 -15.604 368 HA ASP 47 HA ASP 47 0.323 2.024 -15.617 369 HB2 ASP 47 2HB ASP 47 1.478 3.922 -17.675 370 HB3 ASP 47 3HB ASP 47 1.177 2.215 -18.002 371 H ASP 48 H ASP 48 3.135 3.928 -15.027 372 HA ASP 48 HA ASP 48 5.060 1.877 -15.812 373 HB2 ASP 48 2HB ASP 48 5.508 4.383 -15.718 374 HB3 ASP 48 3HB ASP 48 5.518 4.227 -13.961 375 H ILE 49 H ILE 49 2.913 2.163 -13.257 376 HA ILE 49 HA ILE 49 4.709 0.871 -11.272 377 HB ILE 49 HB ILE 49 1.830 1.808 -11.077 378 HG12 ILE 49 2HG1 ILE 49 4.341 2.953 -9.821 379 HG13 ILE 49 3HG1 ILE 49 3.662 3.550 -11.335 380 HG21 ILE 49 1HG2 ILE 49 2.172 -0.005 -9.518 381 HG22 ILE 49 2HG2 ILE 49 2.254 1.502 -8.604 382 HG23 ILE 49 3HG2 ILE 49 3.736 0.645 -9.027 383 HD11 ILE 49 3HD1 ILE 49 1.497 3.962 -10.137 384 HD12 ILE 49 1HD1 ILE 49 2.834 4.932 -9.517 385 HD13 ILE 49 2HD1 ILE 49 2.292 3.508 -8.630 386 H THR 50 H THR 50 4.868 -1.282 -11.328 387 HA THR 50 HA THR 50 2.532 -2.913 -12.284 388 HB THR 50 HB THR 50 4.329 -4.659 -12.724 389 HG1 THR 50 HG1 THR 50 5.803 -3.181 -11.354 390 HG21 THR 50 3HG2 THR 50 5.165 -3.461 -14.791 391 HG22 THR 50 1HG2 THR 50 4.368 -2.009 -14.185 392 HG23 THR 50 2HG2 THR 50 3.414 -3.438 -14.585 393 H GLY 51 H GLY 51 4.073 -1.924 -9.531 394 HA2 GLY 51 2HA GLY 51 2.817 -3.935 -7.907 395 HA3 GLY 51 3HA GLY 51 4.550 -4.245 -8.019 396 H MET 52 H MET 52 3.847 -3.747 -5.542 397 HA MET 52 HA MET 52 4.641 -0.894 -5.040 398 HB2 MET 52 2HB MET 52 2.218 -1.240 -4.559 399 HB3 MET 52 3HB MET 52 2.646 -2.534 -3.440 400 HG2 MET 52 2HG MET 52 3.920 -0.958 -2.061 401 HG3 MET 52 3HG MET 52 3.579 0.341 -3.204 402 HE1 MET 52 3HE MET 52 2.356 -2.356 -1.053 403 HE2 MET 52 1HE MET 52 0.791 -2.486 -1.865 404 HE3 MET 52 2HE MET 52 0.894 -1.788 -0.253 405 H TYR 53 H TYR 53 6.275 -0.682 -3.518 406 HA TYR 53 HA TYR 53 7.341 -3.226 -2.342 407 HB2 TYR 53 2HB TYR 53 8.651 -0.548 -2.893 408 HB3 TYR 53 3HB TYR 53 9.449 -1.903 -2.093 409 HD1 TYR 53 HD2 TYR 53 7.920 -0.743 -5.262 410 HD2 TYR 53 HD1 TYR 53 10.171 -3.843 -3.323 411 HE1 TYR 53 HE2 TYR 53 8.453 -1.737 -7.472 412 HE2 TYR 53 HE1 TYR 53 10.704 -4.837 -5.532 413 HH TYR 53 HH TYR 53 9.369 -4.688 -7.987 414 H LEU 54 H LEU 54 7.037 -3.516 -0.212 415 HA LEU 54 HA LEU 54 6.318 -1.186 1.509 416 HB2 LEU 54 2HB LEU 54 6.156 -4.172 2.027 417 HB3 LEU 54 3HB LEU 54 5.543 -2.910 3.093 418 HG LEU 54 HG LEU 54 4.626 -3.375 0.239 419 HD11 LEU 54 1HD1 LEU 54 2.468 -4.020 1.467 420 HD12 LEU 54 2HD1 LEU 54 3.459 -4.139 2.920 421 HD13 LEU 54 3HD1 LEU 54 3.791 -5.183 1.538 422 HD21 LEU 54 3HD2 LEU 54 2.710 -1.829 1.221 423 HD22 LEU 54 1HD2 LEU 54 4.200 -1.105 0.623 424 HD23 LEU 54 2HD2 LEU 54 3.964 -1.334 2.357 425 H ILE 55 H ILE 55 7.839 -0.369 2.853 426 HA ILE 55 HA ILE 55 10.328 -1.971 3.321 427 HB ILE 55 HB ILE 55 9.822 1.011 3.547 428 HG12 ILE 55 2HG1 ILE 55 11.424 1.005 1.557 429 HG13 ILE 55 3HG1 ILE 55 11.181 -0.736 1.470 430 HG21 ILE 55 1HG2 ILE 55 12.306 -0.690 3.896 431 HG22 ILE 55 2HG2 ILE 55 11.550 0.354 5.101 432 HG23 ILE 55 3HG2 ILE 55 12.343 1.062 3.693 433 HD11 ILE 55 3HD1 ILE 55 9.660 1.083 0.118 434 HD12 ILE 55 1HD1 ILE 55 8.671 0.859 1.561 435 HD13 ILE 55 2HD1 ILE 55 9.101 -0.525 0.559 436 H ASP 56 H ASP 56 10.729 -2.689 5.351 437 HA ASP 56 HA ASP 56 9.668 -1.217 7.679 438 HB2 ASP 56 2HB ASP 56 8.618 -3.254 8.640 439 HB3 ASP 56 3HB ASP 56 7.823 -2.746 7.151 440 H ASP 57 H ASP 57 11.341 -1.089 9.051 441 HA ASP 57 HA ASP 57 13.309 -1.602 10.203 442 HB2 ASP 57 2HB ASP 57 11.928 -3.556 10.946 443 HB3 ASP 57 3HB ASP 57 12.581 -4.483 9.597 444 H GLU 58 H GLU 58 13.466 -4.399 8.017 445 HA GLU 58 HA GLU 58 15.586 -3.052 6.416 446 HB2 GLU 58 2HB GLU 58 16.733 -4.203 8.321 447 HB3 GLU 58 3HB GLU 58 15.992 -5.722 7.813 448 HG2 GLU 58 2HG GLU 58 17.116 -5.577 5.640 449 HG3 GLU 58 3HG GLU 58 17.820 -4.022 6.087 450 H GLY 59 H GLY 59 13.543 -5.888 6.978 451 HA2 GLY 59 2HA GLY 59 13.918 -6.963 4.313 452 HA3 GLY 59 3HA GLY 59 12.698 -7.484 5.474 453 H GLU 60 H GLU 60 11.861 -7.334 2.908 454 HA GLU 60 HA GLU 60 9.905 -5.127 3.027 455 HB2 GLU 60 2HB GLU 60 10.406 -4.484 0.637 456 HB3 GLU 60 3HB GLU 60 11.672 -4.038 1.779 457 HG2 GLU 60 2HG GLU 60 11.736 -6.630 0.216 458 HG3 GLU 60 3HG GLU 60 12.463 -5.141 -0.386 459 H ILE 61 H ILE 61 8.106 -5.494 1.569 460 HA ILE 61 HA ILE 61 7.890 -8.356 0.659 461 HB ILE 61 HB ILE 61 5.759 -6.450 1.666 462 HG12 ILE 61 2HG1 ILE 61 6.702 -9.114 2.756 463 HG13 ILE 61 3HG1 ILE 61 7.304 -7.562 3.335 464 HG21 ILE 61 1HG2 ILE 61 5.598 -9.216 0.448 465 HG22 ILE 61 2HG2 ILE 61 4.756 -7.757 -0.072 466 HG23 ILE 61 3HG2 ILE 61 4.309 -8.539 1.443 467 HD11 ILE 61 3HD1 ILE 61 4.410 -8.468 3.373 468 HD12 ILE 61 1HD1 ILE 61 4.992 -6.895 3.920 469 HD13 ILE 61 2HD1 ILE 61 5.479 -8.360 4.773 470 H ILE 62 H ILE 62 7.362 -8.701 -1.460 471 HA ILE 62 HA ILE 62 7.030 -6.284 -3.188 472 HB ILE 62 HB ILE 62 7.560 -9.134 -4.057 473 HG12 ILE 62 2HG1 ILE 62 9.340 -8.559 -2.525 474 HG13 ILE 62 3HG1 ILE 62 9.969 -8.402 -4.162 475 HG21 ILE 62 1HG2 ILE 62 8.364 -8.093 -6.085 476 HG22 ILE 62 2HG2 ILE 62 8.214 -6.484 -5.375 477 HG23 ILE 62 3HG2 ILE 62 6.768 -7.430 -5.731 478 HD11 ILE 62 3HD1 ILE 62 9.265 -5.910 -3.971 479 HD12 ILE 62 1HD1 ILE 62 10.705 -6.428 -3.098 480 HD13 ILE 62 2HD1 ILE 62 9.180 -6.218 -2.241 481 H THR 63 H THR 63 5.034 -5.855 -3.989 482 HA THR 63 HA THR 63 3.056 -8.113 -4.206 483 HB THR 63 HB THR 63 2.551 -5.220 -3.451 484 HG1 THR 63 HG1 THR 63 1.690 -7.202 -1.804 485 HG21 THR 63 3HG2 THR 63 0.204 -6.094 -3.097 486 HG22 THR 63 1HG2 THR 63 0.696 -7.558 -3.948 487 HG23 THR 63 2HG2 THR 63 0.711 -6.005 -4.783 488 H ARG 64 H ARG 64 2.370 -8.421 -6.242 489 HA ARG 64 HA ARG 64 2.955 -6.350 -8.303 490 HB2 ARG 64 2HB ARG 64 3.549 -8.909 -8.419 491 HB3 ARG 64 3HB ARG 64 1.852 -9.114 -8.835 492 HG2 ARG 64 2HG ARG 64 2.785 -8.867 -10.954 493 HG3 ARG 64 3HG ARG 64 2.369 -7.191 -10.595 494 HD2 ARG 64 2HD ARG 64 4.677 -6.789 -9.805 495 HD3 ARG 64 3HD ARG 64 5.093 -8.464 -10.154 496 HE ARG 64 HE ARG 64 4.651 -6.327 -12.149 497 HH11 ARG 64 1HH2 ARG 64 5.058 -9.679 -11.416 498 HH12 ARG 64 2HH2 ARG 64 5.553 -10.099 -13.019 499 HH21 ARG 64 1HH1 ARG 64 5.288 -6.865 -14.239 500 HH22 ARG 64 2HH1 ARG 64 5.680 -8.509 -14.619 501 H GLU 65 H GLU 65 0.427 -7.394 -6.336 502 HA GLU 65 HA GLU 65 -1.727 -6.970 -8.282 503 HB2 GLU 65 2HB GLU 65 -1.698 -7.451 -5.292 504 HB3 GLU 65 3HB GLU 65 -3.177 -7.244 -6.233 505 HG2 GLU 65 2HG GLU 65 -2.592 -9.155 -7.640 506 HG3 GLU 65 3HG GLU 65 -1.058 -9.339 -6.788 507 H VAL 66 H VAL 66 -1.199 -4.749 -8.902 508 HA VAL 66 HA VAL 66 -2.081 -2.745 -6.854 509 HB VAL 66 HB VAL 66 0.114 -2.493 -8.921 510 HG11 VAL 66 1HG1 VAL 66 -1.322 -0.412 -7.261 511 HG12 VAL 66 2HG1 VAL 66 -1.042 -0.406 -9.001 512 HG13 VAL 66 3HG1 VAL 66 0.302 -0.144 -7.891 513 HG21 VAL 66 3HG2 VAL 66 0.718 -3.575 -6.775 514 HG22 VAL 66 1HG2 VAL 66 0.074 -2.185 -5.901 515 HG23 VAL 66 2HG2 VAL 66 1.487 -1.997 -6.936 516 H LYS 67 H LYS 67 -3.698 -1.403 -7.507 517 HA LYS 67 HA LYS 67 -4.432 -1.396 -10.422 518 HB2 LYS 67 2HB LYS 67 -6.240 -1.533 -7.993 519 HB3 LYS 67 3HB LYS 67 -6.811 -1.200 -9.630 520 HG2 LYS 67 2HG LYS 67 -5.851 -3.345 -10.396 521 HG3 LYS 67 3HG LYS 67 -5.308 -3.683 -8.753 522 HD2 LYS 67 2HD LYS 67 -7.620 -3.656 -7.952 523 HD3 LYS 67 3HD LYS 67 -8.194 -3.236 -9.566 524 HE2 LYS 67 2HE LYS 67 -8.451 -5.647 -9.180 525 HE3 LYS 67 3HE LYS 67 -7.250 -5.356 -10.438 526 HZ1 LYS 67 3HZ LYS 67 -6.565 -5.753 -7.581 527 HZ2 LYS 67 1HZ LYS 67 -5.499 -5.712 -8.899 528 HZ3 LYS 67 2HZ LYS 67 -6.582 -7.009 -8.723 529 H GLY 68 H GLY 68 -4.994 0.599 -11.261 530 HA2 GLY 68 2HA GLY 68 -4.428 2.945 -9.513 531 HA3 GLY 68 3HA GLY 68 -4.427 2.950 -11.276 532 H LYS 69 H LYS 69 -5.959 4.520 -9.119 533 HA LYS 69 HA LYS 69 -8.748 3.973 -10.083 534 HB2 LYS 69 2HB LYS 69 -7.770 5.587 -7.702 535 HB3 LYS 69 3HB LYS 69 -9.454 5.263 -8.109 536 HG2 LYS 69 2HG LYS 69 -7.400 3.111 -7.517 537 HG3 LYS 69 3HG LYS 69 -8.545 3.735 -6.331 538 HD2 LYS 69 2HD LYS 69 -10.377 3.099 -8.040 539 HD3 LYS 69 3HD LYS 69 -9.124 2.153 -8.841 540 HE2 LYS 69 2HE LYS 69 -8.728 0.865 -6.818 541 HE3 LYS 69 3HE LYS 69 -9.895 1.849 -5.932 542 HZ1 LYS 69 3HZ LYS 69 -11.309 0.241 -6.558 543 HZ2 LYS 69 1HZ LYS 69 -10.343 -0.269 -7.857 544 HZ3 LYS 69 2HZ LYS 69 -11.350 1.089 -8.030 545 H PHE 70 H PHE 70 -8.908 5.125 -11.952 546 HA PHE 70 HA PHE 70 -7.882 7.928 -12.026 547 HB2 PHE 70 2HB PHE 70 -8.949 6.155 -14.246 548 HB3 PHE 70 3HB PHE 70 -8.196 7.736 -14.449 549 HD1 PHE 70 HD1 PHE 70 -5.788 8.050 -14.038 550 HD2 PHE 70 HD2 PHE 70 -7.638 4.192 -13.707 551 HE1 PHE 70 HE1 PHE 70 -3.553 6.975 -14.071 552 HE2 PHE 70 HE2 PHE 70 -5.405 3.116 -13.743 553 HZ PHE 70 HZ PHE 70 -3.361 4.510 -13.925 554 H ILE 71 H ILE 71 -9.278 9.647 -12.484 555 HA ILE 71 HA ILE 71 -12.219 9.037 -12.459 556 HB ILE 71 HB ILE 71 -10.738 11.353 -11.182 557 HG12 ILE 71 2HG1 ILE 71 -12.449 9.167 -9.956 558 HG13 ILE 71 3HG1 ILE 71 -10.687 9.118 -10.009 559 HG21 ILE 71 1HG2 ILE 71 -13.071 11.910 -10.341 560 HG22 ILE 71 2HG2 ILE 71 -13.687 10.749 -11.516 561 HG23 ILE 71 3HG2 ILE 71 -12.817 12.182 -12.064 562 HD11 ILE 71 3HD1 ILE 71 -11.197 10.018 -7.875 563 HD12 ILE 71 1HD1 ILE 71 -12.458 11.064 -8.527 564 HD13 ILE 71 2HD1 ILE 71 -10.761 11.420 -8.854 565 H ASN 72 H ASN 72 -13.355 9.918 -14.119 566 HA ASN 72 HA ASN 72 -12.343 10.765 -16.501 567 HB2 ASN 72 2HB ASN 72 -14.484 12.156 -16.755 568 HB3 ASN 72 3HB ASN 72 -14.689 10.452 -16.354 569 HD21 ASN 72 1HD2 ASN 72 -16.073 10.069 -14.626 570 HD22 ASN 72 2HD2 ASN 72 -16.423 11.178 -13.389 571 H GLY 73 H GLY 73 -10.495 12.076 -16.338 572 HA2 GLY 73 2HA GLY 73 -10.537 14.746 -16.793 573 HA3 GLY 73 3HA GLY 73 -10.653 14.713 -15.031 574 H ARG 74 H ARG 74 -8.970 12.943 -14.104 575 HA ARG 74 HA ARG 74 -6.558 12.501 -15.537 576 HB2 ARG 74 2HB ARG 74 -5.151 14.171 -14.099 577 HB3 ARG 74 3HB ARG 74 -6.002 14.783 -15.518 578 HG2 ARG 74 2HG ARG 74 -7.737 15.733 -14.213 579 HG3 ARG 74 3HG ARG 74 -7.284 14.800 -12.786 580 HD2 ARG 74 2HD ARG 74 -6.590 17.286 -12.835 581 HD3 ARG 74 3HD ARG 74 -5.351 16.108 -12.398 582 HE ARG 74 HE ARG 74 -5.464 16.791 -15.261 583 HH11 ARG 74 1HH2 ARG 74 -4.114 17.369 -12.131 584 HH12 ARG 74 2HH2 ARG 74 -2.689 18.136 -12.746 585 HH21 ARG 74 1HH1 ARG 74 -3.605 17.802 -16.069 586 HH22 ARG 74 2HH1 ARG 74 -2.402 18.382 -14.967 587 HA PRO 75 HA PRO 75 -5.839 9.572 -12.279 588 HB2 PRO 75 2HB PRO 75 -3.155 10.875 -11.924 589 HB3 PRO 75 3HB PRO 75 -3.555 9.156 -12.111 590 HG2 PRO 75 2HG PRO 75 -2.559 10.690 -14.128 591 HG3 PRO 75 3HG PRO 75 -3.598 9.282 -14.394 592 HD2 PRO 75 2HD PRO 75 -4.228 12.123 -14.823 593 HD3 PRO 75 3HD PRO 75 -5.129 10.685 -15.352 594 H THR 76 H THR 76 -6.849 9.880 -10.344 595 HA THR 76 HA THR 76 -6.145 12.294 -8.707 596 HB THR 76 HB THR 76 -8.616 10.574 -8.440 597 HG1 THR 76 HG1 THR 76 -7.933 12.254 -10.404 598 HG21 THR 76 3HG2 THR 76 -9.467 12.400 -7.165 599 HG22 THR 76 1HG2 THR 76 -8.162 13.465 -7.687 600 HG23 THR 76 2HG2 THR 76 -7.826 12.135 -6.579 601 H ALA 77 H ALA 77 -6.544 8.745 -8.610 602 HA ALA 77 HA ALA 77 -4.842 8.717 -6.203 603 HB1 ALA 77 3HB ALA 77 -6.929 9.039 -5.091 604 HB2 ALA 77 1HB ALA 77 -6.563 7.319 -4.949 605 HB3 ALA 77 2HB ALA 77 -7.745 7.874 -6.135 606 H ILE 78 H ILE 78 -4.334 6.483 -5.517 607 HA ILE 78 HA ILE 78 -4.637 4.469 -7.730 608 HB ILE 78 HB ILE 78 -2.183 5.117 -6.066 609 HG12 ILE 78 2HG1 ILE 78 -2.534 5.042 -9.068 610 HG13 ILE 78 3HG1 ILE 78 -2.735 6.513 -8.115 611 HG21 ILE 78 1HG2 ILE 78 -1.174 3.259 -7.539 612 HG22 ILE 78 2HG2 ILE 78 -2.836 2.764 -7.842 613 HG23 ILE 78 3HG2 ILE 78 -2.199 2.750 -6.198 614 HD11 ILE 78 3HD1 ILE 78 -0.451 6.425 -8.955 615 HD12 ILE 78 1HD1 ILE 78 -0.236 4.806 -8.290 616 HD13 ILE 78 2HD1 ILE 78 -0.430 6.186 -7.207 617 H GLU 79 H GLU 79 -4.340 2.199 -6.871 618 HA GLU 79 HA GLU 79 -4.900 1.950 -3.947 619 HB2 GLU 79 2HB GLU 79 -7.070 1.978 -5.235 620 HB3 GLU 79 3HB GLU 79 -6.523 0.533 -6.084 621 HG2 GLU 79 2HG GLU 79 -6.612 0.653 -3.062 622 HG3 GLU 79 3HG GLU 79 -8.020 0.183 -4.011 623 H ALA 80 H ALA 80 -4.230 -0.040 -3.069 624 HA ALA 80 HA ALA 80 -2.948 -1.990 -4.917 625 HB1 ALA 80 3HB ALA 80 -1.590 -0.748 -2.508 626 HB2 ALA 80 1HB ALA 80 -1.141 -0.484 -4.194 627 HB3 ALA 80 2HB ALA 80 -0.942 -2.076 -3.467 628 H THR 81 H THR 81 -3.029 -4.110 -4.148 629 HA THR 81 HA THR 81 -4.409 -4.509 -1.505 630 HB THR 81 HB THR 81 -4.730 -6.090 -4.073 631 HG1 THR 81 HG1 THR 81 -5.877 -3.891 -3.206 632 HG21 THR 81 3HG2 THR 81 -5.784 -6.462 -1.266 633 HG22 THR 81 1HG2 THR 81 -4.940 -7.633 -2.281 634 HG23 THR 81 2HG2 THR 81 -6.594 -7.162 -2.667 635 H VAL 82 H VAL 82 -3.335 -5.819 -0.116 636 HA VAL 82 HA VAL 82 -1.013 -7.402 -1.174 637 HB VAL 82 HB VAL 82 -1.543 -6.288 1.596 638 HG11 VAL 82 1HG1 VAL 82 0.889 -7.022 1.905 639 HG12 VAL 82 2HG1 VAL 82 0.686 -7.971 0.433 640 HG13 VAL 82 3HG1 VAL 82 -0.306 -8.315 1.848 641 HG21 VAL 82 3HG2 VAL 82 -0.897 -4.685 -0.285 642 HG22 VAL 82 1HG2 VAL 82 0.629 -5.561 -0.384 643 HG23 VAL 82 2HG2 VAL 82 0.195 -4.713 1.100 644 H ILE 83 H ILE 83 -1.138 -9.577 -1.001 645 HA ILE 83 HA ILE 83 -3.518 -10.783 0.220 646 HB ILE 83 HB ILE 83 -1.111 -12.152 -1.002 647 HG12 ILE 83 2HG1 ILE 83 -1.957 -10.570 -2.628 648 HG13 ILE 83 3HG1 ILE 83 -2.503 -12.179 -3.093 649 HG21 ILE 83 1HG2 ILE 83 -3.977 -12.998 -0.513 650 HG22 ILE 83 2HG2 ILE 83 -2.523 -13.684 0.213 651 HG23 ILE 83 3HG2 ILE 83 -2.839 -13.909 -1.507 652 HD11 ILE 83 3HD1 ILE 83 -4.649 -11.598 -1.720 653 HD12 ILE 83 1HD1 ILE 83 -4.448 -10.877 -3.318 654 HD13 ILE 83 2HD1 ILE 83 -4.096 -9.930 -1.875 655 H LEU 84 H LEU 84 -3.605 -11.623 2.227 656 HA LEU 84 HA LEU 84 -1.039 -12.069 3.725 657 HB2 LEU 84 2HB LEU 84 -3.761 -11.263 4.801 658 HB3 LEU 84 3HB LEU 84 -2.290 -11.477 5.751 659 HG LEU 84 HG LEU 84 -2.642 -9.462 3.508 660 HD11 LEU 84 1HD1 LEU 84 -3.972 -8.809 5.426 661 HD12 LEU 84 2HD1 LEU 84 -2.527 -7.800 5.386 662 HD13 LEU 84 3HD1 LEU 84 -2.632 -9.145 6.523 663 HD21 LEU 84 3HD2 LEU 84 -0.474 -8.563 4.710 664 HD22 LEU 84 1HD2 LEU 84 -0.335 -9.893 3.564 665 HD23 LEU 84 2HD2 LEU 84 -0.332 -10.220 5.296 666 H ASN 85 H ASN 85 -2.289 -14.015 2.041 667 HA ASN 85 HA ASN 85 -3.982 -15.817 3.472 668 HB2 ASN 85 2HB ASN 85 -2.058 -16.134 1.162 669 HB3 ASN 85 3HB ASN 85 -2.926 -17.522 1.816 670 HD21 ASN 85 1HD2 ASN 85 -5.456 -16.617 2.300 671 HD22 ASN 85 2HD2 ASN 85 -6.165 -15.991 0.891 672 H SER 86 H SER 86 -0.444 -15.566 3.198 673 HA SER 86 HA SER 86 -0.003 -17.943 4.816 674 HB2 SER 86 2HB SER 86 1.532 -16.666 3.024 675 HB3 SER 86 3HB SER 86 2.164 -15.912 4.484 676 HG SER 86 HG SER 86 1.771 -18.652 4.596 677 H GLN 87 H GLN 87 0.836 -17.996 6.962 678 HA GLN 87 HA GLN 87 -0.289 -15.996 8.725 679 HB2 GLN 87 2HB GLN 87 1.697 -17.915 9.867 680 HB3 GLN 87 3HB GLN 87 0.052 -17.551 10.387 681 HG2 GLN 87 2HG GLN 87 -0.715 -18.783 8.253 682 HG3 GLN 87 3HG GLN 87 0.937 -19.395 8.161 683 HE21 GLN 87 1HE2 GLN 87 1.725 -20.662 10.080 684 HE22 GLN 87 2HE2 GLN 87 0.597 -21.500 11.033 685 HA PRO 88 HA PRO 88 4.524 -15.113 9.422 686 HB2 PRO 88 2HB PRO 88 5.316 -15.395 6.541 687 HB3 PRO 88 3HB PRO 88 6.227 -15.819 8.006 688 HG2 PRO 88 2HG PRO 88 5.122 -17.710 6.513 689 HG3 PRO 88 3HG PRO 88 5.095 -17.826 8.284 690 HD2 PRO 88 2HD PRO 88 2.883 -17.024 6.416 691 HD3 PRO 88 3HD PRO 88 2.807 -18.028 7.878 692 H GLU 89 H GLU 89 2.807 -14.320 6.434 693 HA GLU 89 HA GLU 89 3.866 -11.673 6.114 694 HB2 GLU 89 2HB GLU 89 1.251 -12.919 5.207 695 HB3 GLU 89 3HB GLU 89 1.841 -11.346 4.667 696 HG2 GLU 89 2HG GLU 89 3.386 -13.935 4.350 697 HG3 GLU 89 3HG GLU 89 2.392 -13.217 3.085 698 H TRP 90 H TRP 90 1.027 -12.951 7.825 699 HA TRP 90 HA TRP 90 -0.166 -10.455 8.504 700 HB2 TRP 90 2HB TRP 90 -0.230 -13.241 9.634 701 HB3 TRP 90 3HB TRP 90 -0.928 -11.944 10.601 702 HD1 TRP 90 HD1 TRP 90 -1.668 -14.193 7.736 703 HE1 TRP 90 HE1 TRP 90 -3.921 -13.543 6.661 704 HE3 TRP 90 HE3 TRP 90 -2.462 -9.709 10.025 705 HZ2 TRP 90 HZ2 TRP 90 -5.812 -11.392 6.771 706 HZ3 TRP 90 HZ3 TRP 90 -4.492 -8.381 9.530 707 HH2 TRP 90 HH2 TRP 90 -6.168 -9.218 7.906 708 H ASP 91 H ASP 91 2.329 -12.368 10.183 709 HA ASP 91 HA ASP 91 2.511 -10.756 12.511 710 HB2 ASP 91 2HB ASP 91 3.610 -12.952 12.270 711 HB3 ASP 91 3HB ASP 91 4.710 -12.270 11.072 712 H ARG 92 H ARG 92 4.366 -10.553 9.461 713 HA ARG 92 HA ARG 92 5.808 -8.182 10.243 714 HB2 ARG 92 2HB ARG 92 5.216 -9.448 7.553 715 HB3 ARG 92 3HB ARG 92 6.255 -8.035 7.741 716 HG2 ARG 92 2HG ARG 92 6.810 -10.476 9.425 717 HG3 ARG 92 3HG ARG 92 7.298 -10.481 7.732 718 HD2 ARG 92 2HD ARG 92 8.051 -8.252 9.641 719 HD3 ARG 92 3HD ARG 92 9.068 -9.666 9.358 720 HE ARG 92 HE ARG 92 8.466 -8.654 6.816 721 HH11 ARG 92 1HH2 ARG 92 9.929 -7.569 9.744 722 HH12 ARG 92 2HH2 ARG 92 11.028 -6.492 8.948 723 HH21 ARG 92 1HH1 ARG 92 9.886 -7.258 5.763 724 HH22 ARG 92 2HH1 ARG 92 11.002 -6.314 6.693 725 H PHE 93 H PHE 93 2.827 -8.758 8.405 726 HA PHE 93 HA PHE 93 2.371 -6.065 7.584 727 HB2 PHE 93 2HB PHE 93 1.134 -8.102 6.763 728 HB3 PHE 93 3HB PHE 93 0.269 -8.129 8.300 729 HD1 PHE 93 HD1 PHE 93 -1.267 -6.294 8.918 730 HD2 PHE 93 HD2 PHE 93 0.690 -6.407 5.097 731 HE1 PHE 93 HE1 PHE 93 -2.847 -4.587 8.058 732 HE2 PHE 93 HE2 PHE 93 -0.890 -4.702 4.237 733 HZ PHE 93 HZ PHE 93 -2.657 -3.791 5.718 734 H MET 94 H MET 94 1.346 -7.844 10.496 735 HA MET 94 HA MET 94 -0.149 -5.716 11.677 736 HB2 MET 94 2HB MET 94 1.319 -8.108 12.802 737 HB3 MET 94 3HB MET 94 0.448 -6.984 13.844 738 HG2 MET 94 2HG MET 94 -0.808 -8.391 11.473 739 HG3 MET 94 3HG MET 94 -0.904 -8.993 13.126 740 HE1 MET 94 3HE MET 94 -1.702 -7.901 15.003 741 HE2 MET 94 1HE MET 94 -3.084 -6.797 15.058 742 HE3 MET 94 2HE MET 94 -1.447 -6.159 14.950 743 H ARG 95 H ARG 95 3.276 -6.637 11.892 744 HA ARG 95 HA ARG 95 4.018 -4.648 13.818 745 HB2 ARG 95 2HB ARG 95 5.377 -6.675 13.059 746 HB3 ARG 95 3HB ARG 95 5.768 -5.756 11.607 747 HG2 ARG 95 2HG ARG 95 7.582 -5.195 12.952 748 HG3 ARG 95 3HG ARG 95 6.479 -3.882 13.358 749 HD2 ARG 95 2HD ARG 95 5.689 -5.212 15.327 750 HD3 ARG 95 3HD ARG 95 6.886 -6.445 14.939 751 HE ARG 95 HE ARG 95 7.440 -3.782 16.080 752 HH11 ARG 95 1HH2 ARG 95 8.594 -6.631 14.507 753 HH12 ARG 95 2HH2 ARG 95 10.225 -6.426 15.049 754 HH21 ARG 95 1HH1 ARG 95 9.558 -3.501 16.791 755 HH22 ARG 95 2HH1 ARG 95 10.771 -4.652 16.342 756 H PHE 96 H PHE 96 4.076 -4.680 10.256 757 HA PHE 96 HA PHE 96 5.161 -2.072 9.890 758 HB2 PHE 96 2HB PHE 96 5.007 -3.651 8.045 759 HB3 PHE 96 3HB PHE 96 3.249 -3.682 8.171 760 HD1 PHE 96 HD1 PHE 96 6.090 -1.275 7.690 761 HD2 PHE 96 HD2 PHE 96 1.982 -2.214 6.857 762 HE1 PHE 96 HE1 PHE 96 5.951 0.681 6.174 763 HE2 PHE 96 HE2 PHE 96 1.841 -0.258 5.342 764 HZ PHE 96 HZ PHE 96 3.827 1.190 4.999 765 H MET 97 H MET 97 1.788 -3.190 10.096 766 HA MET 97 HA MET 97 0.569 -0.644 9.723 767 HB2 MET 97 2HB MET 97 -0.637 -2.814 9.619 768 HB3 MET 97 3HB MET 97 -0.425 -2.996 11.359 769 HG2 MET 97 2HG MET 97 -1.711 -0.495 10.280 770 HG3 MET 97 3HG MET 97 -2.659 -1.974 10.437 771 HE1 MET 97 3HE MET 97 -3.359 0.769 12.176 772 HE2 MET 97 1HE MET 97 -4.005 -0.246 13.473 773 HE3 MET 97 2HE MET 97 -4.198 -0.732 11.791 774 H GLU 98 H GLU 98 1.663 -2.321 12.674 775 HA GLU 98 HA GLU 98 0.680 -0.330 14.498 776 HB2 GLU 98 2HB GLU 98 1.378 -2.628 15.168 777 HB3 GLU 98 3HB GLU 98 3.052 -2.193 14.825 778 HG2 GLU 98 2HG GLU 98 2.964 -0.417 16.515 779 HG3 GLU 98 3HG GLU 98 1.268 -0.785 16.835 780 H ARG 99 H ARG 99 3.874 -0.827 12.981 781 HA ARG 99 HA ARG 99 5.112 1.462 14.191 782 HB2 ARG 99 2HB ARG 99 5.705 -0.075 11.647 783 HB3 ARG 99 3HB ARG 99 6.730 1.230 12.245 784 HG2 ARG 99 2HG ARG 99 7.105 0.023 14.340 785 HG3 ARG 99 3HG ARG 99 6.006 -1.256 13.826 786 HD2 ARG 99 2HD ARG 99 8.303 -1.967 13.419 787 HD3 ARG 99 3HD ARG 99 7.499 -1.701 11.872 788 HE ARG 99 HE ARG 99 8.820 0.710 12.697 789 HH11 ARG 99 1HH2 ARG 99 9.381 -2.490 11.519 790 HH12 ARG 99 2HH2 ARG 99 10.871 -2.078 10.737 791 HH21 ARG 99 1HH1 ARG 99 10.763 1.254 11.685 792 HH22 ARG 99 2HH1 ARG 99 11.654 0.038 10.832 793 H TYR 100 H TYR 100 3.394 0.975 11.121 794 HA TYR 100 HA TYR 100 3.811 3.586 10.049 795 HB2 TYR 100 2HB TYR 100 2.955 1.743 8.687 796 HB3 TYR 100 3HB TYR 100 1.501 1.654 9.681 797 HD1 TYR 100 HD2 TYR 100 3.453 3.947 7.470 798 HD2 TYR 100 HD1 TYR 100 -0.364 3.031 9.215 799 HE1 TYR 100 HE2 TYR 100 2.392 5.699 6.072 800 HE2 TYR 100 HE1 TYR 100 -1.425 4.784 7.819 801 HH TYR 100 HH TYR 100 -1.057 6.036 5.850 802 H GLY 101 H GLY 101 1.105 2.259 11.969 803 HA2 GLY 101 2HA GLY 101 -0.326 4.751 12.110 804 HA3 GLY 101 3HA GLY 101 -0.589 3.362 13.167 805 H ALA 102 H ALA 102 2.132 3.233 14.171 806 HA ALA 102 HA ALA 102 1.921 5.046 16.374 807 HB1 ALA 102 3HB ALA 102 4.346 3.549 15.331 808 HB2 ALA 102 1HB ALA 102 3.172 2.923 16.487 809 HB3 ALA 102 2HB ALA 102 4.205 4.283 16.930 810 H GLU 103 H GLU 103 3.908 5.135 13.414 811 HA GLU 103 HA GLU 103 5.220 7.617 14.120 812 HB2 GLU 103 2HB GLU 103 4.859 6.180 11.475 813 HB3 GLU 103 3HB GLU 103 5.857 7.620 11.682 814 HG2 GLU 103 2HG GLU 103 7.253 6.456 13.322 815 HG3 GLU 103 3HG GLU 103 6.222 5.027 13.216 816 H ASN 104 H ASN 104 2.430 6.758 12.093 817 HA ASN 104 HA ASN 104 1.859 9.628 11.591 818 HB2 ASN 104 2HB ASN 104 0.683 7.034 10.568 819 HB3 ASN 104 3HB ASN 104 -0.050 8.601 10.228 820 HD21 ASN 104 1HD2 ASN 104 1.017 6.973 8.127 821 HD22 ASN 104 2HD2 ASN 104 2.377 7.754 7.480 822 H GLY 105 H GLY 105 -0.279 6.879 12.417 823 HA2 GLY 105 2HA GLY 105 -1.776 6.687 14.252 824 HA3 GLY 105 3HA GLY 105 -1.238 8.268 14.824 825 H LEU 106 H LEU 106 -2.579 7.316 11.656 826 HA LEU 106 HA LEU 106 -4.200 9.656 11.424 827 HB2 LEU 106 2HB LEU 106 -4.364 6.935 10.108 828 HB3 LEU 106 3HB LEU 106 -5.347 8.311 9.611 829 HG LEU 106 HG LEU 106 -2.329 8.468 9.762 830 HD11 LEU 106 1HD1 LEU 106 -2.781 6.664 8.235 831 HD12 LEU 106 2HD1 LEU 106 -2.398 8.089 7.268 832 HD13 LEU 106 3HD1 LEU 106 -4.076 7.575 7.456 833 HD21 LEU 106 3HD2 LEU 106 -3.271 10.652 9.576 834 HD22 LEU 106 1HD2 LEU 106 -4.507 10.113 8.441 835 HD23 LEU 106 2HD2 LEU 106 -2.825 10.225 7.929 836 H GLY 107 H GLY 107 -4.981 6.340 12.480 837 HA2 GLY 107 2HA GLY 107 -6.641 5.733 14.071 838 HA3 GLY 107 3HA GLY 107 -7.222 7.399 14.069 839 H PHE 108 H PHE 108 -6.814 6.278 10.908 840 HA PHE 108 HA PHE 108 -9.758 5.766 10.650 841 HB2 PHE 108 2HB PHE 108 -7.652 6.820 8.751 842 HB3 PHE 108 3HB PHE 108 -9.178 6.177 8.149 843 HD1 PHE 108 HD2 PHE 108 -7.826 8.597 10.669 844 HD2 PHE 108 HD1 PHE 108 -11.059 7.588 8.031 845 HE1 PHE 108 HE2 PHE 108 -8.939 10.745 11.214 846 HE2 PHE 108 HE1 PHE 108 -12.174 9.737 8.576 847 HZ PHE 108 HZ PHE 108 -11.113 11.315 10.168 848 H SER 109 H SER 109 -7.340 3.922 11.343 849 HA SER 109 HA SER 109 -6.978 2.094 9.173 850 HB2 SER 109 2HB SER 109 -5.524 2.111 11.174 851 HB3 SER 109 3HB SER 109 -6.880 1.586 12.167 852 HG SER 109 HG SER 109 -6.212 -0.336 11.636 853 H LYS 110 H LYS 110 -9.376 2.196 8.531 854 HA LYS 110 HA LYS 110 -11.431 1.105 8.288 855 HB2 LYS 110 2HB LYS 110 -9.912 -0.915 8.254 856 HB3 LYS 110 3HB LYS 110 -10.195 -1.085 9.984 857 HG2 LYS 110 2HG LYS 110 -12.598 -1.320 9.609 858 HG3 LYS 110 3HG LYS 110 -12.367 -1.079 7.876 859 HD2 LYS 110 2HD LYS 110 -10.934 -3.091 7.788 860 HD3 LYS 110 3HD LYS 110 -11.186 -3.339 9.515 861 HE2 LYS 110 2HE LYS 110 -13.602 -3.584 9.145 862 HE3 LYS 110 3HE LYS 110 -13.376 -3.298 7.419 863 HZ1 LYS 110 3HZ LYS 110 -11.633 -5.334 8.350 864 HZ2 LYS 110 1HZ LYS 110 -12.797 -5.401 7.119 865 HZ3 LYS 110 2HZ LYS 110 -13.245 -5.716 8.726 866 H SER 111 H SER 111 -10.121 1.546 11.500 867 HA SER 111 HA SER 111 -12.538 0.913 12.937 868 HB2 SER 111 2HB SER 111 -10.020 2.447 13.579 869 HB3 SER 111 3HB SER 111 -11.354 2.368 14.727 870 HG SER 111 HG SER 111 -9.761 0.286 13.675 871 H GLU 112 H GLU 112 -14.237 2.233 13.429 872 HA GLU 112 HA GLU 112 -15.509 4.205 13.671 873 HB2 GLU 112 2HB GLU 112 -13.128 5.354 13.867 874 HB3 GLU 112 3HB GLU 112 -13.446 5.859 12.208 875 HG2 GLU 112 2HG GLU 112 -14.266 7.616 13.612 876 HG3 GLU 112 3HG GLU 112 -15.685 6.746 13.028 877 H LEU 113 H LEU 113 -13.828 3.405 10.695 878 HA LEU 113 HA LEU 113 -15.544 4.804 8.883 879 HB2 LEU 113 2HB LEU 113 -13.728 2.411 8.673 880 HB3 LEU 113 3HB LEU 113 -14.735 2.865 7.300 881 HG LEU 113 HG LEU 113 -12.430 3.863 7.249 882 HD11 LEU 113 1HD1 LEU 113 -14.728 5.005 6.410 883 HD12 LEU 113 2HD1 LEU 113 -13.163 5.792 6.252 884 HD13 LEU 113 3HD1 LEU 113 -14.230 6.228 7.583 885 HD21 LEU 113 3HD2 LEU 113 -11.784 5.519 8.857 886 HD22 LEU 113 1HD2 LEU 113 -12.369 4.129 9.768 887 HD23 LEU 113 2HD2 LEU 113 -13.396 5.548 9.572 888 H GLU 114 H GLU 114 -15.720 1.510 10.244 889 HA GLU 114 HA GLU 114 -18.365 1.119 8.923 890 HB2 GLU 114 2HB GLU 114 -16.511 -0.755 10.423 891 HB3 GLU 114 3HB GLU 114 -18.101 -1.225 9.816 892 HG2 GLU 114 2HG GLU 114 -17.424 -0.650 7.526 893 HG3 GLU 114 3HG GLU 114 -15.850 -0.113 8.112 894 H HIS 115 H HIS 115 -17.113 2.312 11.772 895 HA HIS 115 HA HIS 115 -18.036 2.798 13.854 896 HB2 HIS 115 2HB HIS 115 -20.628 2.276 12.365 897 HB3 HIS 115 3HB HIS 115 -20.497 3.052 13.941 898 HD1 HIS 115 HD1 HIS 115 -18.737 5.217 13.901 899 HD2 HIS 115 HD2 HIS 115 -20.516 4.107 10.298 900 HE1 HIS 115 HE1 HIS 115 -18.522 7.210 12.354 901 H HIS 116 H HIS 116 -17.731 1.426 15.498 902 HA HIS 116 HA HIS 116 -18.180 -1.385 15.407 903 HB2 HIS 116 2HB HIS 116 -17.818 -1.295 17.859 904 HB3 HIS 116 3HB HIS 116 -16.628 -0.316 16.999 905 HD1 HIS 116 HD1 HIS 116 -17.016 2.318 17.028 906 HD2 HIS 116 HD2 HIS 116 -19.500 0.155 19.585 907 HE1 HIS 116 HE1 HIS 116 -18.028 3.996 18.634 908 H HIS 117 H HIS 117 -20.107 1.248 16.826 909 HA HIS 117 HA HIS 117 -22.316 1.289 17.592 910 HB2 HIS 117 2HB HIS 117 -22.638 0.869 15.136 911 HB3 HIS 117 3HB HIS 117 -22.713 -0.858 15.490 912 HD1 HIS 117 HD1 HIS 117 -24.941 -1.765 16.230 913 HD2 HIS 117 HD2 HIS 117 -24.777 2.392 16.515 914 HE1 HIS 117 HE1 HIS 117 -27.272 -0.997 16.859 915 H HIS 118 H HIS 118 -21.455 0.264 19.602 916 HA HIS 118 HA HIS 118 -22.971 -2.201 20.194 917 HB2 HIS 118 2HB HIS 118 -19.960 -1.973 20.447 918 HB3 HIS 118 3HB HIS 118 -20.903 -3.169 21.339 919 HD1 HIS 118 HD1 HIS 118 -19.434 -2.486 18.029 920 HD2 HIS 118 HD2 HIS 118 -22.334 -5.044 19.585 921 HE1 HIS 118 HE1 HIS 118 -19.837 -4.264 16.271 922 H HIS 119 H HIS 119 -20.817 0.382 21.347 923 HA HIS 119 HA HIS 119 -21.494 0.106 24.125 924 HB2 HIS 119 2HB HIS 119 -20.395 2.417 22.513 925 HB3 HIS 119 3HB HIS 119 -20.632 2.496 24.257 926 HD1 HIS 119 HD1 HIS 119 -18.700 0.543 21.646 927 HD2 HIS 119 HD2 HIS 119 -18.649 1.213 25.761 928 HE1 HIS 119 HE1 HIS 119 -16.573 -0.520 22.517 929 H HIS 120 H HIS 120 -22.819 2.072 21.500 930 HA HIS 120 HA HIS 120 -25.391 2.245 22.856 931 HB2 HIS 120 2HB HIS 120 -25.454 4.698 23.028 932 HB3 HIS 120 3HB HIS 120 -24.147 4.048 24.018 933 HD1 HIS 120 HD1 HIS 120 -24.281 4.866 20.284 934 HD2 HIS 120 HD2 HIS 120 -22.045 5.799 23.675 935 HE1 HIS 120 HE1 HIS 120 -22.392 6.364 19.507 Start of MODEL 12 1 H1 MET 1 1H MET 1 3.765 -1.202 7.657 2 H2 MET 1 2H MET 1 4.415 0.221 8.321 3 H3 MET 1 3H MET 1 5.401 -1.145 8.098 4 HA MET 1 HA MET 1 5.343 -0.941 5.755 5 HB2 MET 1 2HB MET 1 3.506 1.444 6.088 6 HB3 MET 1 3HB MET 1 3.886 0.557 4.611 7 HG2 MET 1 2HG MET 1 2.275 -0.455 6.968 8 HG3 MET 1 3HG MET 1 1.673 -0.105 5.349 9 HE1 MET 1 3HE MET 1 1.786 -3.295 7.151 10 HE2 MET 1 1HE MET 1 1.247 -3.829 5.554 11 HE3 MET 1 2HE MET 1 0.688 -2.291 6.206 12 H ALA 2 H ALA 2 5.146 1.706 8.086 13 HA ALA 2 HA ALA 2 6.590 3.482 8.544 14 HB1 ALA 2 3HB ALA 2 8.683 1.913 7.032 15 HB2 ALA 2 1HB ALA 2 8.190 1.495 8.674 16 HB3 ALA 2 2HB ALA 2 8.927 3.064 8.345 17 H GLU 3 H GLU 3 7.915 2.403 5.412 18 HA GLU 3 HA GLU 3 6.958 4.965 4.206 19 HB2 GLU 3 2HB GLU 3 9.113 5.338 3.172 20 HB3 GLU 3 3HB GLU 3 9.356 5.164 4.910 21 HG2 GLU 3 2HG GLU 3 9.903 2.737 4.520 22 HG3 GLU 3 3HG GLU 3 9.842 3.058 2.785 23 H ILE 4 H ILE 4 6.196 4.759 2.188 24 HA ILE 4 HA ILE 4 6.295 2.047 0.924 25 HB ILE 4 HB ILE 4 4.356 4.341 0.509 26 HG12 ILE 4 2HG1 ILE 4 3.895 1.638 1.806 27 HG13 ILE 4 3HG1 ILE 4 4.231 3.108 2.722 28 HG21 ILE 4 1HG2 ILE 4 3.079 2.461 -0.692 29 HG22 ILE 4 2HG2 ILE 4 4.603 1.574 -0.683 30 HG23 ILE 4 3HG2 ILE 4 4.486 3.117 -1.528 31 HD11 ILE 4 3HD1 ILE 4 2.267 4.184 1.594 32 HD12 ILE 4 1HD1 ILE 4 1.827 2.817 2.617 33 HD13 ILE 4 2HD1 ILE 4 1.885 2.623 0.866 34 H GLN 5 H GLN 5 7.380 1.863 -0.970 35 HA GLN 5 HA GLN 5 8.041 4.361 -2.495 36 HB2 GLN 5 2HB GLN 5 9.823 2.000 -1.852 37 HB3 GLN 5 3HB GLN 5 10.208 3.217 -3.068 38 HG2 GLN 5 2HG GLN 5 10.071 4.986 -1.358 39 HG3 GLN 5 3HG GLN 5 9.689 3.773 -0.136 40 HE21 GLN 5 1HE2 GLN 5 11.560 3.594 1.127 41 HE22 GLN 5 2HE2 GLN 5 13.124 3.375 0.504 42 H PHE 6 H PHE 6 7.688 4.262 -4.626 43 HA PHE 6 HA PHE 6 6.677 1.694 -5.786 44 HB2 PHE 6 2HB PHE 6 6.274 4.598 -6.549 45 HB3 PHE 6 3HB PHE 6 5.715 3.249 -7.533 46 HD1 PHE 6 HD2 PHE 6 4.071 1.606 -6.560 47 HD2 PHE 6 HD1 PHE 6 5.085 5.291 -4.601 48 HE1 PHE 6 HE2 PHE 6 2.042 1.413 -5.149 49 HE2 PHE 6 HE1 PHE 6 3.053 5.099 -3.189 50 HZ PHE 6 HZ PHE 6 1.532 3.159 -3.464 51 H SER 7 H SER 7 8.498 4.611 -6.774 52 HA SER 7 HA SER 7 9.864 3.040 -8.887 53 HB2 SER 7 2HB SER 7 8.949 5.298 -9.401 54 HB3 SER 7 3HB SER 7 10.051 5.991 -8.216 55 HG SER 7 HG SER 7 11.423 4.382 -9.840 56 H LYS 8 H LYS 8 10.311 3.198 -5.754 57 HA LYS 8 HA LYS 8 12.129 2.962 -4.316 58 HB2 LYS 8 2HB LYS 8 13.451 2.209 -6.927 59 HB3 LYS 8 3HB LYS 8 14.240 2.068 -5.359 60 HG2 LYS 8 2HG LYS 8 12.435 0.588 -4.573 61 HG3 LYS 8 3HG LYS 8 11.629 0.735 -6.135 62 HD2 LYS 8 2HD LYS 8 13.631 -0.233 -7.239 63 HD3 LYS 8 3HD LYS 8 14.389 -0.430 -5.658 64 HE2 LYS 8 2HE LYS 8 11.739 -1.679 -6.445 65 HE3 LYS 8 3HE LYS 8 13.288 -2.521 -6.490 66 HZ1 LYS 8 3HZ LYS 8 13.482 -1.785 -4.066 67 HZ2 LYS 8 1HZ LYS 8 12.424 -3.060 -4.424 68 HZ3 LYS 8 2HZ LYS 8 11.809 -1.499 -4.149 69 H GLY 9 H GLY 9 13.169 4.550 -3.308 70 HA2 GLY 9 2HA GLY 9 14.815 6.267 -3.048 71 HA3 GLY 9 3HA GLY 9 14.955 6.374 -4.804 72 H VAL 10 H VAL 10 11.731 6.248 -3.801 73 HA VAL 10 HA VAL 10 11.410 9.142 -4.393 74 HB VAL 10 HB VAL 10 8.917 8.443 -4.394 75 HG11 VAL 10 1HG1 VAL 10 10.220 8.905 -6.420 76 HG12 VAL 10 2HG1 VAL 10 9.146 7.528 -6.683 77 HG13 VAL 10 3HG1 VAL 10 10.865 7.264 -6.394 78 HG21 VAL 10 3HG2 VAL 10 8.470 6.084 -4.666 79 HG22 VAL 10 1HG2 VAL 10 9.402 6.274 -3.183 80 HG23 VAL 10 2HG2 VAL 10 10.191 5.704 -4.653 81 H ALA 11 H ALA 11 10.763 10.578 -2.935 82 HA ALA 11 HA ALA 11 10.546 9.725 -0.107 83 HB1 ALA 11 3HB ALA 11 10.517 12.534 -1.223 84 HB2 ALA 11 1HB ALA 11 12.010 11.649 -0.910 85 HB3 ALA 11 2HB ALA 11 10.916 12.033 0.419 86 H GLU 12 H GLU 12 9.037 11.913 0.808 87 HA GLU 12 HA GLU 12 6.830 12.462 1.321 88 HB2 GLU 12 2HB GLU 12 6.535 12.017 -1.667 89 HB3 GLU 12 3HB GLU 12 5.312 12.764 -0.642 90 HG2 GLU 12 2HG GLU 12 8.151 13.788 -0.930 91 HG3 GLU 12 3HG GLU 12 6.768 14.436 -1.812 92 H THR 13 H THR 13 6.155 10.127 -1.267 93 HA THR 13 HA THR 13 5.039 8.076 -1.230 94 HB THR 13 HB THR 13 5.432 6.598 0.553 95 HG1 THR 13 HG1 THR 13 5.011 7.215 2.492 96 HG21 THR 13 3HG2 THR 13 7.727 6.772 0.969 97 HG22 THR 13 1HG2 THR 13 7.669 8.526 1.124 98 HG23 THR 13 2HG2 THR 13 7.536 7.777 -0.468 99 H VAL 14 H VAL 14 4.030 10.809 0.036 100 HA VAL 14 HA VAL 14 2.062 11.631 0.978 101 HB VAL 14 HB VAL 14 1.406 10.965 -1.324 102 HG11 VAL 14 1HG1 VAL 14 1.656 8.606 -1.402 103 HG12 VAL 14 2HG1 VAL 14 -0.078 8.880 -1.484 104 HG13 VAL 14 3HG1 VAL 14 0.648 8.361 0.026 105 HG21 VAL 14 3HG2 VAL 14 -0.951 10.345 0.441 106 HG22 VAL 14 1HG2 VAL 14 -0.868 11.362 -0.992 107 HG23 VAL 14 2HG2 VAL 14 -0.192 11.936 0.527 108 H VAL 15 H VAL 15 -0.156 10.870 2.016 109 HA VAL 15 HA VAL 15 0.486 8.704 3.977 110 HB VAL 15 HB VAL 15 -1.180 11.202 4.299 111 HG11 VAL 15 1HG1 VAL 15 -0.711 8.799 6.086 112 HG12 VAL 15 2HG1 VAL 15 -2.261 9.438 5.534 113 HG13 VAL 15 3HG1 VAL 15 -1.297 10.344 6.701 114 HG21 VAL 15 3HG2 VAL 15 0.580 11.572 6.110 115 HG22 VAL 15 1HG2 VAL 15 1.176 11.679 4.453 116 HG23 VAL 15 2HG2 VAL 15 1.467 10.222 5.405 117 HA PRO 16 HA PRO 16 -3.211 7.242 1.651 118 HB2 PRO 16 2HB PRO 16 -2.523 4.626 1.492 119 HB3 PRO 16 3HB PRO 16 -1.820 5.850 0.421 120 HG2 PRO 16 2HG PRO 16 -0.645 4.554 2.827 121 HG3 PRO 16 3HG PRO 16 0.127 5.023 1.305 122 HD2 PRO 16 2HD PRO 16 0.245 6.499 3.666 123 HD3 PRO 16 3HD PRO 16 0.561 7.163 2.047 124 H GLU 17 H GLU 17 -5.083 6.288 2.442 125 HA GLU 17 HA GLU 17 -5.224 5.861 5.308 126 HB2 GLU 17 2HB GLU 17 -7.069 6.865 3.911 127 HB3 GLU 17 3HB GLU 17 -7.338 5.267 3.220 128 HG2 GLU 17 2HG GLU 17 -8.899 5.550 5.040 129 HG3 GLU 17 3HG GLU 17 -7.676 4.397 5.565 130 H VAL 18 H VAL 18 -5.723 3.900 6.372 131 HA VAL 18 HA VAL 18 -4.842 1.468 4.888 132 HB VAL 18 HB VAL 18 -5.101 2.099 7.843 133 HG11 VAL 18 1HG1 VAL 18 -3.880 -0.178 8.021 134 HG12 VAL 18 2HG1 VAL 18 -4.495 -0.478 6.396 135 HG13 VAL 18 3HG1 VAL 18 -5.617 -0.196 7.726 136 HG21 VAL 18 3HG2 VAL 18 -2.770 1.669 5.958 137 HG22 VAL 18 1HG2 VAL 18 -2.599 1.682 7.713 138 HG23 VAL 18 2HG2 VAL 18 -3.157 3.126 6.869 139 H ARG 19 H ARG 19 -6.314 -0.021 4.332 140 HA ARG 19 HA ARG 19 -8.905 -0.165 5.825 141 HB2 ARG 19 2HB ARG 19 -9.236 1.047 3.685 142 HB3 ARG 19 3HB ARG 19 -8.568 -0.337 2.817 143 HG2 ARG 19 2HG ARG 19 -10.354 -1.770 3.595 144 HG3 ARG 19 3HG ARG 19 -10.969 -0.502 4.654 145 HD2 ARG 19 2HD ARG 19 -12.330 -0.613 2.623 146 HD3 ARG 19 3HD ARG 19 -11.438 0.908 2.656 147 HE ARG 19 HE ARG 19 -9.927 -1.080 1.236 148 HH11 ARG 19 1HH2 ARG 19 -12.721 0.944 1.028 149 HH12 ARG 19 2HH2 ARG 19 -12.664 1.060 -0.698 150 HH21 ARG 19 1HH1 ARG 19 -9.848 -0.934 -1.008 151 HH22 ARG 19 2HH1 ARG 19 -11.041 -0.001 -1.850 152 H LEU 20 H LEU 20 -9.085 -2.143 6.654 153 HA LEU 20 HA LEU 20 -7.646 -4.419 5.363 154 HB2 LEU 20 2HB LEU 20 -8.538 -3.832 8.178 155 HB3 LEU 20 3HB LEU 20 -8.256 -5.499 7.677 156 HG LEU 20 HG LEU 20 -5.964 -5.047 7.133 157 HD11 LEU 20 1HD1 LEU 20 -5.986 -2.946 6.052 158 HD12 LEU 20 2HD1 LEU 20 -5.105 -2.630 7.541 159 HD13 LEU 20 3HD1 LEU 20 -6.795 -2.160 7.407 160 HD21 LEU 20 3HD2 LEU 20 -6.447 -5.305 9.542 161 HD22 LEU 20 1HD2 LEU 20 -6.675 -3.560 9.678 162 HD23 LEU 20 2HD2 LEU 20 -5.087 -4.213 9.278 163 H SER 21 H SER 21 -8.774 -6.040 4.477 164 HA SER 21 HA SER 21 -11.726 -6.186 4.986 165 HB2 SER 21 2HB SER 21 -10.224 -6.425 2.372 166 HB3 SER 21 3HB SER 21 -11.912 -6.887 2.578 167 HG SER 21 HG SER 21 -11.635 -4.506 3.653 168 H LYS 22 H LYS 22 -12.622 -8.275 4.859 169 HA LYS 22 HA LYS 22 -10.632 -10.506 5.076 170 HB2 LYS 22 2HB LYS 22 -12.001 -9.811 7.149 171 HB3 LYS 22 3HB LYS 22 -13.391 -10.491 6.305 172 HG2 LYS 22 2HG LYS 22 -12.330 -12.661 6.163 173 HG3 LYS 22 3HG LYS 22 -10.821 -12.022 6.810 174 HD2 LYS 22 2HD LYS 22 -13.338 -11.718 8.440 175 HD3 LYS 22 3HD LYS 22 -12.534 -13.285 8.397 176 HE2 LYS 22 2HE LYS 22 -11.220 -10.664 9.177 177 HE3 LYS 22 3HE LYS 22 -11.713 -11.938 10.291 178 HZ1 LYS 22 3HZ LYS 22 -10.252 -13.406 8.754 179 HZ2 LYS 22 1HZ LYS 22 -9.519 -12.443 9.945 180 HZ3 LYS 22 2HZ LYS 22 -9.530 -11.930 8.324 181 H SER 23 H SER 23 -10.848 -12.129 3.666 182 HA SER 23 HA SER 23 -12.553 -12.015 1.413 183 HB2 SER 23 2HB SER 23 -11.117 -14.345 2.701 184 HB3 SER 23 3HB SER 23 -11.923 -14.449 1.139 185 HG SER 23 HG SER 23 -9.498 -13.505 1.717 186 H LYS 24 H LYS 24 -12.766 -14.896 3.424 187 HA LYS 24 HA LYS 24 -15.754 -14.670 3.338 188 HB2 LYS 24 2HB LYS 24 -13.915 -17.055 3.640 189 HB3 LYS 24 3HB LYS 24 -15.671 -17.142 3.765 190 HG2 LYS 24 2HG LYS 24 -15.880 -16.241 1.476 191 HG3 LYS 24 3HG LYS 24 -14.123 -16.156 1.351 192 HD2 LYS 24 2HD LYS 24 -13.957 -18.586 1.638 193 HD3 LYS 24 3HD LYS 24 -15.706 -18.697 1.843 194 HE2 LYS 24 2HE LYS 24 -15.125 -19.277 -0.457 195 HE3 LYS 24 3HE LYS 24 -16.001 -17.747 -0.443 196 HZ1 LYS 24 3HZ LYS 24 -13.867 -16.587 -0.518 197 HZ2 LYS 24 1HZ LYS 24 -14.073 -17.598 -1.864 198 HZ3 LYS 24 2HZ LYS 24 -13.053 -18.077 -0.592 199 H ASN 25 H ASN 25 -14.632 -17.041 5.441 200 HA ASN 25 HA ASN 25 -15.481 -15.432 7.793 201 HB2 ASN 25 2HB ASN 25 -15.022 -18.405 7.396 202 HB3 ASN 25 3HB ASN 25 -15.495 -17.677 8.932 203 HD21 ASN 25 1HD2 ASN 25 -17.109 -15.626 7.146 204 HD22 ASN 25 2HD2 ASN 25 -18.541 -16.473 6.816 205 H GLY 26 H GLY 26 -12.727 -15.661 6.253 206 HA2 GLY 26 2HA GLY 26 -10.714 -14.755 7.407 207 HA3 GLY 26 3HA GLY 26 -11.051 -15.861 8.738 208 H GLN 27 H GLN 27 -11.583 -16.992 5.515 209 HA GLN 27 HA GLN 27 -9.478 -19.018 5.855 210 HB2 GLN 27 2HB GLN 27 -11.514 -18.500 3.667 211 HB3 GLN 27 3HB GLN 27 -10.379 -19.851 3.648 212 HG2 GLN 27 2HG GLN 27 -11.292 -20.671 5.778 213 HG3 GLN 27 3HG GLN 27 -12.404 -19.303 5.840 214 HE21 GLN 27 1HE2 GLN 27 -14.449 -20.162 5.397 215 HE22 GLN 27 2HE2 GLN 27 -14.802 -21.191 4.093 216 H SER 28 H SER 28 -9.630 -15.887 4.641 217 HA SER 28 HA SER 28 -6.977 -16.140 3.447 218 HB2 SER 28 2HB SER 28 -7.939 -16.666 1.404 219 HB3 SER 28 3HB SER 28 -9.431 -15.805 1.766 220 HG SER 28 HG SER 28 -8.194 -13.854 1.566 221 H GLY 29 H GLY 29 -6.210 -14.558 4.757 222 HA2 GLY 29 2HA GLY 29 -7.620 -12.153 5.451 223 HA3 GLY 29 3HA GLY 29 -5.900 -12.436 5.690 224 H MET 30 H MET 30 -7.556 -10.121 4.534 225 HA MET 30 HA MET 30 -5.762 -9.663 2.200 226 HB2 MET 30 2HB MET 30 -7.894 -10.476 1.275 227 HB3 MET 30 3HB MET 30 -8.764 -9.233 2.177 228 HG2 MET 30 2HG MET 30 -7.642 -7.471 0.949 229 HG3 MET 30 3HG MET 30 -6.595 -8.640 0.146 230 HE1 MET 30 3HE MET 30 -8.466 -10.090 -2.649 231 HE2 MET 30 1HE MET 30 -7.796 -10.812 -1.180 232 HE3 MET 30 2HE MET 30 -6.944 -9.499 -1.991 233 H ALA 31 H ALA 31 -5.312 -7.478 1.817 234 HA ALA 31 HA ALA 31 -6.425 -5.495 3.749 235 HB1 ALA 31 3HB ALA 31 -4.140 -6.430 4.457 236 HB2 ALA 31 1HB ALA 31 -4.270 -4.677 4.321 237 HB3 ALA 31 2HB ALA 31 -3.490 -5.604 3.039 238 H LYS 32 H LYS 32 -6.606 -3.417 2.899 239 HA LYS 32 HA LYS 32 -5.828 -3.071 0.019 240 HB2 LYS 32 2HB LYS 32 -8.375 -2.248 1.436 241 HB3 LYS 32 3HB LYS 32 -7.923 -1.687 -0.176 242 HG2 LYS 32 2HG LYS 32 -7.810 -4.022 -0.961 243 HG3 LYS 32 3HG LYS 32 -8.261 -4.587 0.647 244 HD2 LYS 32 2HD LYS 32 -10.405 -3.390 0.479 245 HD3 LYS 32 3HD LYS 32 -9.955 -2.801 -1.124 246 HE2 LYS 32 2HE LYS 32 -9.804 -5.130 -1.935 247 HE3 LYS 32 3HE LYS 32 -10.266 -5.714 -0.337 248 HZ1 LYS 32 3HZ LYS 32 -11.887 -4.213 -2.291 249 HZ2 LYS 32 1HZ LYS 32 -12.293 -4.212 -0.646 250 HZ3 LYS 32 2HZ LYS 32 -12.248 -5.676 -1.506 251 H PHE 33 H PHE 33 -4.993 -1.104 -0.542 252 HA PHE 33 HA PHE 33 -4.616 0.918 1.646 253 HB2 PHE 33 2HB PHE 33 -2.721 0.003 -0.532 254 HB3 PHE 33 3HB PHE 33 -2.467 1.470 0.415 255 HD1 PHE 33 HD1 PHE 33 -2.158 1.336 2.879 256 HD2 PHE 33 HD2 PHE 33 -2.362 -2.176 0.416 257 HE1 PHE 33 HE1 PHE 33 -1.190 -0.009 4.720 258 HE2 PHE 33 HE2 PHE 33 -1.391 -3.524 2.258 259 HZ PHE 33 HZ PHE 33 -0.805 -2.437 4.410 260 H TYR 34 H TYR 34 -5.101 3.004 1.114 261 HA TYR 34 HA TYR 34 -5.923 3.555 -1.725 262 HB2 TYR 34 2HB TYR 34 -7.825 3.436 -0.122 263 HB3 TYR 34 3HB TYR 34 -7.090 4.743 0.806 264 HD1 TYR 34 HD1 TYR 34 -8.407 3.844 -2.564 265 HD2 TYR 34 HD2 TYR 34 -7.358 7.007 0.145 266 HE1 TYR 34 HE1 TYR 34 -9.430 5.496 -4.102 267 HE2 TYR 34 HE2 TYR 34 -8.383 8.662 -1.393 268 HH TYR 34 HH TYR 34 -9.568 7.721 -4.579 269 H PHE 35 H PHE 35 -4.777 5.088 -2.677 270 HA PHE 35 HA PHE 35 -3.189 7.010 -1.015 271 HB2 PHE 35 2HB PHE 35 -2.782 6.098 -3.877 272 HB3 PHE 35 3HB PHE 35 -1.729 7.195 -2.985 273 HD1 PHE 35 HD2 PHE 35 -3.187 3.748 -2.853 274 HD2 PHE 35 HD1 PHE 35 0.023 6.343 -1.660 275 HE1 PHE 35 HE2 PHE 35 -1.974 1.809 -1.892 276 HE2 PHE 35 HE1 PHE 35 1.233 4.404 -0.699 277 HZ PHE 35 HZ PHE 35 0.237 2.138 -0.816 278 H LEU 36 H LEU 36 -4.173 8.938 -0.912 279 HA LEU 36 HA LEU 36 -6.039 9.773 -3.028 280 HB2 LEU 36 2HB LEU 36 -6.690 10.134 -0.698 281 HB3 LEU 36 3HB LEU 36 -5.240 11.096 -0.417 282 HG LEU 36 HG LEU 36 -6.005 12.780 -2.034 283 HD11 LEU 36 1HD1 LEU 36 -8.170 10.741 -2.519 284 HD12 LEU 36 2HD1 LEU 36 -7.218 11.651 -3.690 285 HD13 LEU 36 3HD1 LEU 36 -8.505 12.450 -2.793 286 HD21 LEU 36 3HD2 LEU 36 -8.222 12.038 -0.102 287 HD22 LEU 36 1HD2 LEU 36 -7.919 13.635 -0.784 288 HD23 LEU 36 2HD2 LEU 36 -6.759 12.920 0.335 289 H GLU 37 H GLU 37 -5.606 11.228 -4.560 290 HA GLU 37 HA GLU 37 -4.154 12.380 -6.039 291 HB2 GLU 37 2HB GLU 37 -4.350 14.029 -3.513 292 HB3 GLU 37 3HB GLU 37 -3.613 14.646 -4.992 293 HG2 GLU 37 2HG GLU 37 -5.652 14.385 -6.226 294 HG3 GLU 37 3HG GLU 37 -6.394 13.454 -4.927 295 HA PRO 38 HA PRO 38 -0.223 10.790 -4.040 296 HB2 PRO 38 2HB PRO 38 0.094 9.624 -6.767 297 HB3 PRO 38 3HB PRO 38 0.306 8.855 -5.183 298 HG2 PRO 38 2HG PRO 38 -1.814 8.316 -6.716 299 HG3 PRO 38 3HG PRO 38 -1.950 8.413 -4.952 300 HD2 PRO 38 2HD PRO 38 -2.759 10.444 -7.012 301 HD3 PRO 38 3HD PRO 38 -3.580 9.973 -5.510 302 H THR 39 H THR 39 1.727 11.809 -4.243 303 HA THR 39 HA THR 39 1.928 14.051 -6.124 304 HB THR 39 HB THR 39 2.833 14.734 -4.105 305 HG1 THR 39 HG1 THR 39 4.539 14.980 -5.484 306 HG21 THR 39 3HG2 THR 39 2.519 12.788 -2.792 307 HG22 THR 39 1HG2 THR 39 4.253 13.098 -2.703 308 HG23 THR 39 2HG2 THR 39 3.636 11.842 -3.776 309 H ILE 40 H ILE 40 3.022 10.786 -5.951 310 HA ILE 40 HA ILE 40 5.409 11.017 -7.519 311 HB ILE 40 HB ILE 40 4.692 9.010 -6.150 312 HG12 ILE 40 2HG1 ILE 40 5.249 8.253 -9.027 313 HG13 ILE 40 3HG1 ILE 40 6.474 9.018 -8.014 314 HG21 ILE 40 1HG2 ILE 40 2.334 9.045 -7.117 315 HG22 ILE 40 2HG2 ILE 40 3.104 7.460 -7.044 316 HG23 ILE 40 3HG2 ILE 40 3.016 8.328 -8.577 317 HD11 ILE 40 3HD1 ILE 40 4.993 6.489 -7.241 318 HD12 ILE 40 1HD1 ILE 40 6.372 7.210 -6.412 319 HD13 ILE 40 2HD1 ILE 40 6.578 6.502 -8.013 320 H LEU 41 H LEU 41 2.384 11.897 -8.372 321 HA LEU 41 HA LEU 41 2.311 10.810 -11.097 322 HB2 LEU 41 2HB LEU 41 0.704 13.005 -9.755 323 HB3 LEU 41 3HB LEU 41 0.356 12.334 -11.348 324 HG LEU 41 HG LEU 41 0.444 10.721 -8.784 325 HD11 LEU 41 1HD1 LEU 41 -1.466 12.111 -8.582 326 HD12 LEU 41 2HD1 LEU 41 -2.090 10.602 -9.247 327 HD13 LEU 41 3HD1 LEU 41 -1.838 11.992 -10.302 328 HD21 LEU 41 3HD2 LEU 41 0.832 9.161 -10.480 329 HD22 LEU 41 1HD2 LEU 41 -0.090 10.073 -11.675 330 HD23 LEU 41 2HD2 LEU 41 -0.926 9.153 -10.427 331 H ALA 42 H ALA 42 3.871 13.381 -9.509 332 HA ALA 42 HA ALA 42 4.107 15.009 -11.994 333 HB1 ALA 42 3HB ALA 42 4.994 15.499 -9.138 334 HB2 ALA 42 1HB ALA 42 3.647 16.272 -9.974 335 HB3 ALA 42 2HB ALA 42 5.306 16.606 -10.473 336 H LYS 43 H LYS 43 5.744 12.565 -10.265 337 HA LYS 43 HA LYS 43 8.365 13.265 -11.541 338 HB2 LYS 43 2HB LYS 43 8.211 12.865 -9.016 339 HB3 LYS 43 3HB LYS 43 7.885 11.177 -9.411 340 HG2 LYS 43 2HG LYS 43 9.998 11.009 -10.620 341 HG3 LYS 43 3HG LYS 43 10.316 12.723 -10.355 342 HD2 LYS 43 2HD LYS 43 10.371 12.350 -7.924 343 HD3 LYS 43 3HD LYS 43 10.032 10.637 -8.172 344 HE2 LYS 43 2HE LYS 43 12.388 10.736 -7.931 345 HE3 LYS 43 3HE LYS 43 12.135 10.627 -9.672 346 HZ1 LYS 43 3HZ LYS 43 12.681 12.811 -9.984 347 HZ2 LYS 43 1HZ LYS 43 13.696 12.436 -8.679 348 HZ3 LYS 43 2HZ LYS 43 12.244 13.275 -8.409 349 H GLU 44 H GLU 44 6.104 10.553 -10.996 350 HA GLU 44 HA GLU 44 7.112 9.324 -13.530 351 HB2 GLU 44 2HB GLU 44 6.619 7.904 -10.898 352 HB3 GLU 44 3HB GLU 44 6.901 7.082 -12.434 353 HG2 GLU 44 2HG GLU 44 8.821 9.086 -11.217 354 HG3 GLU 44 3HG GLU 44 8.971 7.341 -11.020 355 H SER 45 H SER 45 5.579 8.201 -14.722 356 HA SER 45 HA SER 45 2.828 9.039 -14.333 357 HB2 SER 45 2HB SER 45 4.229 7.283 -16.347 358 HB3 SER 45 3HB SER 45 2.477 7.473 -16.357 359 HG SER 45 HG SER 45 3.558 9.005 -17.693 360 H THR 46 H THR 46 1.009 7.567 -14.195 361 HA THR 46 HA THR 46 1.265 5.614 -12.117 362 HB THR 46 HB THR 46 -1.099 5.038 -12.743 363 HG1 THR 46 HG1 THR 46 -0.663 7.031 -14.714 364 HG21 THR 46 3HG2 THR 46 -0.574 8.016 -12.639 365 HG22 THR 46 1HG2 THR 46 -0.498 6.958 -11.232 366 HG23 THR 46 2HG2 THR 46 -2.023 7.176 -12.090 367 H ASP 47 H ASP 47 1.278 5.415 -15.622 368 HA ASP 47 HA ASP 47 1.013 2.533 -15.765 369 HB2 ASP 47 2HB ASP 47 2.047 4.604 -17.716 370 HB3 ASP 47 3HB ASP 47 1.893 2.893 -18.113 371 H ASP 48 H ASP 48 3.587 4.665 -14.982 372 HA ASP 48 HA ASP 48 5.709 2.742 -15.708 373 HB2 ASP 48 2HB ASP 48 5.921 5.293 -15.860 374 HB3 ASP 48 3HB ASP 48 6.003 5.286 -14.098 375 H ILE 49 H ILE 49 3.566 3.184 -13.153 376 HA ILE 49 HA ILE 49 5.440 2.264 -11.058 377 HB ILE 49 HB ILE 49 2.480 2.906 -10.991 378 HG12 ILE 49 2HG1 ILE 49 4.858 4.316 -9.741 379 HG13 ILE 49 3HG1 ILE 49 4.133 4.792 -11.276 380 HG21 ILE 49 1HG2 ILE 49 4.384 1.889 -8.873 381 HG22 ILE 49 2HG2 ILE 49 2.790 1.269 -9.297 382 HG23 ILE 49 3HG2 ILE 49 2.940 2.804 -8.449 383 HD11 ILE 49 3HD1 ILE 49 3.114 6.188 -9.637 384 HD12 ILE 49 1HD1 ILE 49 2.868 4.836 -8.532 385 HD13 ILE 49 2HD1 ILE 49 1.912 4.952 -10.006 386 H THR 50 H THR 50 5.806 0.166 -10.737 387 HA THR 50 HA THR 50 3.682 -1.816 -11.486 388 HB THR 50 HB THR 50 6.689 -2.121 -11.736 389 HG1 THR 50 HG1 THR 50 4.595 -1.537 -13.499 390 HG21 THR 50 3HG2 THR 50 6.028 -4.265 -12.874 391 HG22 THR 50 1HG2 THR 50 4.378 -3.989 -12.318 392 HG23 THR 50 2HG2 THR 50 5.675 -4.235 -11.147 393 H GLY 51 H GLY 51 2.988 -2.908 -9.778 394 HA2 GLY 51 2HA GLY 51 2.922 -3.968 -7.709 395 HA3 GLY 51 3HA GLY 51 4.668 -4.155 -7.844 396 H MET 52 H MET 52 4.331 -3.794 -5.431 397 HA MET 52 HA MET 52 4.765 -0.909 -4.839 398 HB2 MET 52 2HB MET 52 2.386 -1.402 -4.331 399 HB3 MET 52 3HB MET 52 2.894 -2.715 -3.268 400 HG2 MET 52 2HG MET 52 4.092 -1.133 -1.838 401 HG3 MET 52 3HG MET 52 3.695 0.191 -2.932 402 HE1 MET 52 3HE MET 52 1.041 -2.140 -0.077 403 HE2 MET 52 1HE MET 52 2.614 -2.570 -0.759 404 HE3 MET 52 2HE MET 52 1.146 -2.824 -1.696 405 H TYR 53 H TYR 53 6.461 -0.642 -3.451 406 HA TYR 53 HA TYR 53 7.641 -3.106 -2.220 407 HB2 TYR 53 2HB TYR 53 8.928 -0.447 -2.913 408 HB3 TYR 53 3HB TYR 53 9.758 -1.840 -2.220 409 HD1 TYR 53 HD2 TYR 53 7.839 -0.673 -5.194 410 HD2 TYR 53 HD1 TYR 53 10.459 -3.668 -3.577 411 HE1 TYR 53 HE2 TYR 53 8.136 -1.637 -7.461 412 HE2 TYR 53 HE1 TYR 53 10.749 -4.637 -5.843 413 HH TYR 53 HH TYR 53 10.330 -4.388 -8.015 414 H LEU 54 H LEU 54 6.982 -3.257 -0.154 415 HA LEU 54 HA LEU 54 6.594 -0.832 1.511 416 HB2 LEU 54 2HB LEU 54 6.183 -3.767 2.169 417 HB3 LEU 54 3HB LEU 54 5.657 -2.399 3.151 418 HG LEU 54 HG LEU 54 4.720 -3.004 0.331 419 HD11 LEU 54 1HD1 LEU 54 2.663 -3.723 1.302 420 HD12 LEU 54 2HD1 LEU 54 3.115 -3.108 2.892 421 HD13 LEU 54 3HD1 LEU 54 3.928 -4.527 2.232 422 HD21 LEU 54 3HD2 LEU 54 4.217 -0.741 2.263 423 HD22 LEU 54 1HD2 LEU 54 2.960 -1.209 1.120 424 HD23 LEU 54 2HD2 LEU 54 4.526 -0.674 0.527 425 H ILE 55 H ILE 55 8.448 -0.060 2.395 426 HA ILE 55 HA ILE 55 10.521 -2.029 3.285 427 HB ILE 55 HB ILE 55 10.793 0.922 2.669 428 HG12 ILE 55 2HG1 ILE 55 10.350 -0.838 0.753 429 HG13 ILE 55 3HG1 ILE 55 11.650 0.330 0.564 430 HG21 ILE 55 1HG2 ILE 55 12.725 -1.213 3.583 431 HG22 ILE 55 2HG2 ILE 55 12.484 0.406 4.242 432 HG23 ILE 55 3HG2 ILE 55 13.286 0.199 2.685 433 HD11 ILE 55 3HD1 ILE 55 12.145 -2.183 0.067 434 HD12 ILE 55 1HD1 ILE 55 12.206 -2.351 1.816 435 HD13 ILE 55 2HD1 ILE 55 13.318 -1.260 1.007 436 H ASP 56 H ASP 56 10.970 -2.236 5.350 437 HA ASP 56 HA ASP 56 10.166 -0.104 7.276 438 HB2 ASP 56 2HB ASP 56 9.526 -3.060 7.507 439 HB3 ASP 56 3HB ASP 56 9.277 -1.871 8.785 440 H ASP 57 H ASP 57 10.883 -1.579 9.569 441 HA ASP 57 HA ASP 57 13.790 -1.389 9.401 442 HB2 ASP 57 2HB ASP 57 12.423 -0.571 11.346 443 HB3 ASP 57 3HB ASP 57 12.084 -2.253 11.746 444 H GLU 58 H GLU 58 14.733 -3.041 8.396 445 HA GLU 58 HA GLU 58 15.522 -5.178 7.954 446 HB2 GLU 58 2HB GLU 58 15.996 -5.154 10.392 447 HB3 GLU 58 3HB GLU 58 14.404 -5.853 10.686 448 HG2 GLU 58 2HG GLU 58 14.988 -7.818 9.339 449 HG3 GLU 58 3HG GLU 58 16.562 -7.114 8.969 450 H GLY 59 H GLY 59 14.076 -5.558 6.265 451 HA2 GLY 59 2HA GLY 59 12.831 -7.679 5.616 452 HA3 GLY 59 3HA GLY 59 11.714 -7.292 6.920 453 H GLU 60 H GLU 60 11.380 -7.523 3.931 454 HA GLU 60 HA GLU 60 9.751 -5.075 3.625 455 HB2 GLU 60 2HB GLU 60 10.653 -4.555 1.416 456 HB3 GLU 60 3HB GLU 60 11.957 -4.524 2.601 457 HG2 GLU 60 2HG GLU 60 12.529 -6.876 1.954 458 HG3 GLU 60 3HG GLU 60 11.314 -6.778 0.677 459 H ILE 61 H ILE 61 8.001 -5.387 2.212 460 HA ILE 61 HA ILE 61 7.610 -8.212 1.264 461 HB ILE 61 HB ILE 61 5.561 -6.207 2.243 462 HG12 ILE 61 2HG1 ILE 61 6.349 -8.912 3.365 463 HG13 ILE 61 3HG1 ILE 61 7.029 -7.394 3.948 464 HG21 ILE 61 1HG2 ILE 61 4.065 -8.296 2.004 465 HG22 ILE 61 2HG2 ILE 61 5.344 -8.947 0.980 466 HG23 ILE 61 3HG2 ILE 61 4.512 -7.463 0.516 467 HD11 ILE 61 3HD1 ILE 61 4.068 -8.037 3.896 468 HD12 ILE 61 1HD1 ILE 61 4.815 -6.595 4.584 469 HD13 ILE 61 2HD1 ILE 61 5.097 -8.172 5.322 470 H ILE 62 H ILE 62 7.154 -8.490 -0.844 471 HA ILE 62 HA ILE 62 6.820 -6.044 -2.542 472 HB ILE 62 HB ILE 62 7.676 -8.830 -3.378 473 HG12 ILE 62 2HG1 ILE 62 9.342 -8.003 -1.827 474 HG13 ILE 62 3HG1 ILE 62 9.982 -7.805 -3.458 475 HG21 ILE 62 1HG2 ILE 62 7.718 -6.111 -4.710 476 HG22 ILE 62 2HG2 ILE 62 6.846 -7.550 -5.237 477 HG23 ILE 62 3HG2 ILE 62 8.607 -7.501 -5.330 478 HD11 ILE 62 3HD1 ILE 62 8.917 -5.704 -1.581 479 HD12 ILE 62 1HD1 ILE 62 8.945 -5.412 -3.319 480 HD13 ILE 62 2HD1 ILE 62 10.447 -5.729 -2.455 481 H THR 63 H THR 63 4.906 -5.753 -3.488 482 HA THR 63 HA THR 63 3.075 -8.103 -3.843 483 HB THR 63 HB THR 63 2.361 -5.268 -3.033 484 HG1 THR 63 HG1 THR 63 3.161 -6.538 -1.344 485 HG21 THR 63 3HG2 THR 63 0.053 -6.355 -2.800 486 HG22 THR 63 1HG2 THR 63 0.697 -7.683 -3.765 487 HG23 THR 63 2HG2 THR 63 0.614 -6.058 -4.447 488 H ARG 64 H ARG 64 2.528 -8.402 -5.906 489 HA ARG 64 HA ARG 64 3.067 -6.259 -7.893 490 HB2 ARG 64 2HB ARG 64 2.411 -9.200 -8.236 491 HB3 ARG 64 3HB ARG 64 2.844 -8.098 -9.540 492 HG2 ARG 64 2HG ARG 64 4.679 -8.479 -7.172 493 HG3 ARG 64 3HG ARG 64 4.713 -9.608 -8.523 494 HD2 ARG 64 2HD ARG 64 5.197 -7.783 -10.079 495 HD3 ARG 64 3HD ARG 64 5.075 -6.607 -8.779 496 HE ARG 64 HE ARG 64 7.084 -8.718 -8.386 497 HH11 ARG 64 1HH2 ARG 64 6.299 -5.518 -9.440 498 HH12 ARG 64 2HH2 ARG 64 7.925 -4.939 -9.299 499 HH21 ARG 64 1HH1 ARG 64 9.198 -7.969 -8.206 500 HH22 ARG 64 2HH1 ARG 64 9.562 -6.323 -8.605 501 H GLU 65 H GLU 65 0.551 -7.300 -6.034 502 HA GLU 65 HA GLU 65 -1.549 -7.102 -8.083 503 HB2 GLU 65 2HB GLU 65 -1.633 -7.422 -5.074 504 HB3 GLU 65 3HB GLU 65 -3.075 -7.337 -6.088 505 HG2 GLU 65 2HG GLU 65 -2.332 -9.295 -7.357 506 HG3 GLU 65 3HG GLU 65 -0.840 -9.360 -6.421 507 H VAL 66 H VAL 66 -0.798 -4.876 -8.703 508 HA VAL 66 HA VAL 66 -2.050 -2.810 -6.918 509 HB VAL 66 HB VAL 66 0.450 -2.542 -8.613 510 HG11 VAL 66 1HG1 VAL 66 -0.722 -0.463 -8.743 511 HG12 VAL 66 2HG1 VAL 66 0.474 -0.247 -7.464 512 HG13 VAL 66 3HG1 VAL 66 -1.213 -0.554 -7.051 513 HG21 VAL 66 3HG2 VAL 66 1.490 -2.074 -6.386 514 HG22 VAL 66 1HG2 VAL 66 0.851 -3.714 -6.507 515 HG23 VAL 66 2HG2 VAL 66 -0.044 -2.479 -5.620 516 H LYS 67 H LYS 67 -3.505 -1.533 -7.892 517 HA LYS 67 HA LYS 67 -3.606 -1.441 -10.879 518 HB2 LYS 67 2HB LYS 67 -5.917 -1.937 -8.977 519 HB3 LYS 67 3HB LYS 67 -6.112 -1.535 -10.686 520 HG2 LYS 67 2HG LYS 67 -4.773 -3.517 -11.306 521 HG3 LYS 67 3HG LYS 67 -4.593 -3.925 -9.601 522 HD2 LYS 67 2HD LYS 67 -7.037 -4.163 -9.387 523 HD3 LYS 67 3HD LYS 67 -7.229 -3.737 -11.090 524 HE2 LYS 67 2HE LYS 67 -5.884 -5.700 -11.741 525 HE3 LYS 67 3HE LYS 67 -5.681 -6.128 -10.043 526 HZ1 LYS 67 3HZ LYS 67 -7.532 -7.268 -11.344 527 HZ2 LYS 67 1HZ LYS 67 -8.364 -5.794 -11.234 528 HZ3 LYS 67 2HZ LYS 67 -7.926 -6.628 -9.820 529 H GLY 68 H GLY 68 -4.131 0.553 -11.689 530 HA2 GLY 68 2HA GLY 68 -4.076 2.797 -9.772 531 HA3 GLY 68 3HA GLY 68 -3.908 2.917 -11.522 532 H LYS 69 H LYS 69 -5.739 4.235 -9.463 533 HA LYS 69 HA LYS 69 -8.381 3.523 -10.671 534 HB2 LYS 69 2HB LYS 69 -7.730 5.118 -8.174 535 HB3 LYS 69 3HB LYS 69 -9.348 4.706 -8.735 536 HG2 LYS 69 2HG LYS 69 -7.294 2.549 -8.225 537 HG3 LYS 69 3HG LYS 69 -8.268 3.198 -6.908 538 HD2 LYS 69 2HD LYS 69 -10.329 2.637 -8.200 539 HD3 LYS 69 3HD LYS 69 -9.323 1.892 -9.438 540 HE2 LYS 69 2HE LYS 69 -9.184 1.058 -6.543 541 HE3 LYS 69 3HE LYS 69 -10.293 0.311 -7.692 542 HZ1 LYS 69 3HZ LYS 69 -7.884 -0.620 -7.318 543 HZ2 LYS 69 1HZ LYS 69 -7.483 0.564 -8.461 544 HZ3 LYS 69 2HZ LYS 69 -8.610 -0.645 -8.853 545 H PHE 70 H PHE 70 -9.012 4.801 -12.256 546 HA PHE 70 HA PHE 70 -7.952 7.593 -12.420 547 HB2 PHE 70 2HB PHE 70 -9.039 5.679 -14.495 548 HB3 PHE 70 3HB PHE 70 -8.741 7.386 -14.827 549 HD1 PHE 70 HD2 PHE 70 -6.471 8.296 -14.833 550 HD2 PHE 70 HD1 PHE 70 -7.202 4.128 -14.102 551 HE1 PHE 70 HE2 PHE 70 -4.069 7.810 -15.209 552 HE2 PHE 70 HE1 PHE 70 -4.799 3.640 -14.476 553 HZ PHE 70 HZ PHE 70 -3.232 5.482 -15.029 554 H ILE 71 H ILE 71 -9.354 9.293 -12.666 555 HA ILE 71 HA ILE 71 -12.287 8.720 -12.405 556 HB ILE 71 HB ILE 71 -10.708 11.032 -11.248 557 HG12 ILE 71 2HG1 ILE 71 -10.284 8.935 -10.051 558 HG13 ILE 71 3HG1 ILE 71 -11.279 10.002 -9.065 559 HG21 ILE 71 1HG2 ILE 71 -12.955 11.723 -11.855 560 HG22 ILE 71 2HG2 ILE 71 -12.874 11.536 -10.104 561 HG23 ILE 71 3HG2 ILE 71 -13.638 10.288 -11.089 562 HD11 ILE 71 3HD1 ILE 71 -12.017 7.452 -10.453 563 HD12 ILE 71 1HD1 ILE 71 -13.271 8.666 -10.216 564 HD13 ILE 71 2HD1 ILE 71 -12.423 7.998 -8.828 565 H ASN 72 H ASN 72 -13.521 9.608 -13.939 566 HA ASN 72 HA ASN 72 -14.138 10.779 -15.855 567 HB2 ASN 72 2HB ASN 72 -12.287 12.803 -14.564 568 HB3 ASN 72 3HB ASN 72 -13.222 13.143 -16.018 569 HD21 ASN 72 1HD2 ASN 72 -13.669 14.538 -13.535 570 HD22 ASN 72 2HD2 ASN 72 -15.219 14.125 -12.977 571 H GLY 73 H GLY 73 -11.467 9.171 -15.664 572 HA2 GLY 73 2HA GLY 73 -10.279 8.354 -17.606 573 HA3 GLY 73 3HA GLY 73 -10.595 9.886 -18.421 574 H ARG 74 H ARG 74 -9.802 11.179 -15.700 575 HA ARG 74 HA ARG 74 -6.905 11.258 -16.359 576 HB2 ARG 74 2HB ARG 74 -6.924 13.324 -14.914 577 HB3 ARG 74 3HB ARG 74 -7.949 13.426 -16.340 578 HG2 ARG 74 2HG ARG 74 -9.927 13.018 -15.038 579 HG3 ARG 74 3HG ARG 74 -8.974 12.598 -13.610 580 HD2 ARG 74 2HD ARG 74 -8.030 14.949 -13.669 581 HD3 ARG 74 3HD ARG 74 -9.206 15.321 -14.928 582 HE ARG 74 HE ARG 74 -10.787 14.305 -12.939 583 HH11 ARG 74 1HH2 ARG 74 -8.263 16.667 -13.024 584 HH12 ARG 74 2HH2 ARG 74 -8.922 17.600 -11.721 585 HH21 ARG 74 1HH1 ARG 74 -11.645 15.513 -11.248 586 HH22 ARG 74 2HH1 ARG 74 -10.833 16.948 -10.718 587 HA PRO 75 HA PRO 75 -5.762 9.012 -12.711 588 HB2 PRO 75 2HB PRO 75 -3.407 10.314 -12.032 589 HB3 PRO 75 3HB PRO 75 -3.544 9.130 -13.346 590 HG2 PRO 75 2HG PRO 75 -3.592 12.116 -13.483 591 HG3 PRO 75 3HG PRO 75 -2.762 10.954 -14.538 592 HD2 PRO 75 2HD PRO 75 -5.061 12.110 -15.290 593 HD3 PRO 75 3HD PRO 75 -4.712 10.422 -15.710 594 H THR 76 H THR 76 -6.070 9.135 -10.488 595 HA THR 76 HA THR 76 -6.126 11.783 -9.168 596 HB THR 76 HB THR 76 -8.506 9.940 -8.979 597 HG1 THR 76 HG1 THR 76 -7.806 11.824 -10.882 598 HG21 THR 76 3HG2 THR 76 -8.349 12.903 -8.450 599 HG22 THR 76 1HG2 THR 76 -7.949 11.717 -7.205 600 HG23 THR 76 2HG2 THR 76 -9.570 11.752 -7.902 601 H ALA 77 H ALA 77 -6.595 8.239 -8.838 602 HA ALA 77 HA ALA 77 -5.001 8.360 -6.342 603 HB1 ALA 77 3HB ALA 77 -7.865 7.414 -6.454 604 HB2 ALA 77 1HB ALA 77 -7.182 8.668 -5.419 605 HB3 ALA 77 2HB ALA 77 -6.760 6.977 -5.151 606 H ILE 78 H ILE 78 -4.491 6.189 -5.503 607 HA ILE 78 HA ILE 78 -4.516 4.084 -7.647 608 HB ILE 78 HB ILE 78 -2.254 4.854 -5.780 609 HG12 ILE 78 2HG1 ILE 78 -2.374 4.769 -8.805 610 HG13 ILE 78 3HG1 ILE 78 -2.648 6.233 -7.862 611 HG21 ILE 78 1HG2 ILE 78 -2.581 2.516 -7.680 612 HG22 ILE 78 2HG2 ILE 78 -2.279 2.446 -5.943 613 HG23 ILE 78 3HG2 ILE 78 -1.024 3.031 -7.034 614 HD11 ILE 78 3HD1 ILE 78 -0.139 4.558 -7.607 615 HD12 ILE 78 1HD1 ILE 78 -0.419 6.180 -6.973 616 HD13 ILE 78 2HD1 ILE 78 -0.274 5.925 -8.712 617 H GLU 79 H GLU 79 -4.593 1.913 -6.852 618 HA GLU 79 HA GLU 79 -5.193 1.629 -3.936 619 HB2 GLU 79 2HB GLU 79 -7.333 1.777 -5.222 620 HB3 GLU 79 3HB GLU 79 -6.819 0.387 -6.176 621 HG2 GLU 79 2HG GLU 79 -8.269 -0.416 -4.410 622 HG3 GLU 79 3HG GLU 79 -6.628 -0.926 -4.026 623 H ALA 80 H ALA 80 -4.570 -0.318 -3.060 624 HA ALA 80 HA ALA 80 -3.438 -2.336 -4.926 625 HB1 ALA 80 3HB ALA 80 -1.411 -2.532 -3.464 626 HB2 ALA 80 1HB ALA 80 -1.887 -1.020 -2.694 627 HB3 ALA 80 2HB ALA 80 -1.493 -1.047 -4.414 628 H THR 81 H THR 81 -3.202 -4.329 -4.101 629 HA THR 81 HA THR 81 -4.809 -4.935 -1.655 630 HB THR 81 HB THR 81 -4.665 -6.332 -4.336 631 HG1 THR 81 HG1 THR 81 -5.861 -4.269 -4.047 632 HG21 THR 81 3HG2 THR 81 -6.599 -7.628 -3.366 633 HG22 THR 81 1HG2 THR 81 -6.183 -6.931 -1.800 634 HG23 THR 81 2HG2 THR 81 -5.030 -7.969 -2.639 635 H VAL 82 H VAL 82 -3.787 -6.250 -0.250 636 HA VAL 82 HA VAL 82 -1.361 -7.756 -1.168 637 HB VAL 82 HB VAL 82 -1.922 -6.326 1.442 638 HG11 VAL 82 1HG1 VAL 82 0.399 -7.252 2.037 639 HG12 VAL 82 2HG1 VAL 82 0.158 -8.403 0.723 640 HG13 VAL 82 3HG1 VAL 82 -0.939 -8.399 2.103 641 HG21 VAL 82 3HG2 VAL 82 0.417 -6.146 -0.475 642 HG22 VAL 82 1HG2 VAL 82 0.048 -5.059 0.861 643 HG23 VAL 82 2HG2 VAL 82 -0.986 -5.086 -0.567 644 H ILE 83 H ILE 83 -1.444 -9.893 -0.840 645 HA ILE 83 HA ILE 83 -3.846 -11.059 0.399 646 HB ILE 83 HB ILE 83 -1.486 -12.482 -0.857 647 HG12 ILE 83 2HG1 ILE 83 -2.277 -10.876 -2.483 648 HG13 ILE 83 3HG1 ILE 83 -2.919 -12.451 -2.940 649 HG21 ILE 83 1HG2 ILE 83 -3.166 -14.232 -1.295 650 HG22 ILE 83 2HG2 ILE 83 -4.405 -13.242 -0.522 651 HG23 ILE 83 3HG2 ILE 83 -3.066 -13.883 0.432 652 HD11 ILE 83 3HD1 ILE 83 -4.794 -11.035 -3.124 653 HD12 ILE 83 1HD1 ILE 83 -4.361 -10.124 -1.677 654 HD13 ILE 83 2HD1 ILE 83 -5.003 -11.759 -1.531 655 H LEU 84 H LEU 84 -3.903 -11.795 2.427 656 HA LEU 84 HA LEU 84 -1.328 -12.361 3.866 657 HB2 LEU 84 2HB LEU 84 -3.938 -11.336 5.028 658 HB3 LEU 84 3HB LEU 84 -2.432 -11.593 5.909 659 HG LEU 84 HG LEU 84 -2.817 -9.636 3.619 660 HD11 LEU 84 1HD1 LEU 84 -2.567 -7.915 5.375 661 HD12 LEU 84 2HD1 LEU 84 -2.484 -9.180 6.601 662 HD13 LEU 84 3HD1 LEU 84 -3.969 -8.938 5.685 663 HD21 LEU 84 3HD2 LEU 84 -0.439 -10.477 5.277 664 HD22 LEU 84 1HD2 LEU 84 -0.523 -8.837 4.632 665 HD23 LEU 84 2HD2 LEU 84 -0.541 -10.215 3.535 666 H ASN 85 H ASN 85 -2.679 -14.303 2.327 667 HA ASN 85 HA ASN 85 -4.535 -15.893 3.816 668 HB2 ASN 85 2HB ASN 85 -2.578 -16.527 1.599 669 HB3 ASN 85 3HB ASN 85 -3.635 -17.759 2.288 670 HD21 ASN 85 1HD2 ASN 85 -5.350 -14.921 2.557 671 HD22 ASN 85 2HD2 ASN 85 -6.213 -14.979 1.097 672 H SER 86 H SER 86 -0.989 -15.901 3.637 673 HA SER 86 HA SER 86 -0.755 -18.203 5.413 674 HB2 SER 86 2HB SER 86 1.565 -16.363 4.955 675 HB3 SER 86 3HB SER 86 1.507 -18.127 4.946 676 HG SER 86 HG SER 86 1.628 -17.676 2.859 677 H GLN 87 H GLN 87 0.287 -18.109 7.511 678 HA GLN 87 HA GLN 87 -0.765 -15.933 9.142 679 HB2 GLN 87 2HB GLN 87 1.058 -17.949 10.377 680 HB3 GLN 87 3HB GLN 87 -0.511 -17.373 10.921 681 HG2 GLN 87 2HG GLN 87 0.043 -19.392 8.729 682 HG3 GLN 87 3HG GLN 87 -0.796 -19.667 10.253 683 HE21 GLN 87 1HE2 GLN 87 -1.455 -19.332 7.039 684 HE22 GLN 87 2HE2 GLN 87 -2.996 -18.624 7.126 685 HA PRO 88 HA PRO 88 4.082 -15.380 9.844 686 HB2 PRO 88 2HB PRO 88 4.952 -15.831 7.023 687 HB3 PRO 88 3HB PRO 88 5.744 -16.309 8.536 688 HG2 PRO 88 2HG PRO 88 4.502 -18.086 6.955 689 HG3 PRO 88 3HG PRO 88 4.519 -18.248 8.722 690 HD2 PRO 88 2HD PRO 88 2.296 -17.351 6.939 691 HD3 PRO 88 3HD PRO 88 2.214 -18.261 8.451 692 H GLU 89 H GLU 89 2.507 -14.679 6.747 693 HA GLU 89 HA GLU 89 3.730 -12.104 6.345 694 HB2 GLU 89 2HB GLU 89 1.162 -13.318 5.290 695 HB3 GLU 89 3HB GLU 89 1.793 -11.761 4.754 696 HG2 GLU 89 2HG GLU 89 3.860 -12.832 3.991 697 HG3 GLU 89 3HG GLU 89 3.298 -14.391 4.591 698 H TRP 90 H TRP 90 0.734 -13.167 7.916 699 HA TRP 90 HA TRP 90 -0.369 -10.575 8.378 700 HB2 TRP 90 2HB TRP 90 -0.845 -13.323 9.299 701 HB3 TRP 90 3HB TRP 90 -1.144 -12.158 10.586 702 HD1 TRP 90 HD1 TRP 90 -2.926 -13.813 7.954 703 HE1 TRP 90 HE1 TRP 90 -5.005 -12.483 7.216 704 HE3 TRP 90 HE3 TRP 90 -1.871 -9.290 10.065 705 HZ2 TRP 90 HZ2 TRP 90 -6.078 -9.839 7.479 706 HZ3 TRP 90 HZ3 TRP 90 -3.432 -7.384 9.808 707 HH2 TRP 90 HH2 TRP 90 -5.533 -7.652 8.519 708 H ASP 91 H ASP 91 1.911 -12.521 10.272 709 HA ASP 91 HA ASP 91 2.022 -10.828 12.556 710 HB2 ASP 91 2HB ASP 91 3.026 -13.088 12.488 711 HB3 ASP 91 3HB ASP 91 4.234 -12.508 11.339 712 H ARG 92 H ARG 92 3.920 -10.807 9.547 713 HA ARG 92 HA ARG 92 5.530 -8.524 10.293 714 HB2 ARG 92 2HB ARG 92 4.863 -9.774 7.618 715 HB3 ARG 92 3HB ARG 92 5.967 -8.410 7.793 716 HG2 ARG 92 2HG ARG 92 7.380 -9.745 9.314 717 HG3 ARG 92 3HG ARG 92 6.275 -11.110 9.140 718 HD2 ARG 92 2HD ARG 92 6.726 -11.178 6.716 719 HD3 ARG 92 3HD ARG 92 7.826 -9.808 6.881 720 HE ARG 92 HE ARG 92 8.537 -12.031 8.620 721 HH11 ARG 92 1HH2 ARG 92 8.738 -10.671 5.453 722 HH12 ARG 92 2HH2 ARG 92 10.201 -11.506 5.048 723 HH21 ARG 92 1HH1 ARG 92 10.437 -13.125 8.104 724 HH22 ARG 92 2HH1 ARG 92 11.161 -12.894 6.546 725 H PHE 93 H PHE 93 2.505 -8.953 8.512 726 HA PHE 93 HA PHE 93 2.190 -6.261 7.618 727 HB2 PHE 93 2HB PHE 93 0.819 -8.225 6.862 728 HB3 PHE 93 3HB PHE 93 0.003 -8.197 8.426 729 HD1 PHE 93 HD2 PHE 93 -1.451 -6.310 9.065 730 HD2 PHE 93 HD1 PHE 93 0.407 -6.515 5.197 731 HE1 PHE 93 HE2 PHE 93 -2.981 -4.542 8.236 732 HE2 PHE 93 HE1 PHE 93 -1.123 -4.750 4.368 733 HZ PHE 93 HZ PHE 93 -2.814 -3.759 5.889 734 H MET 94 H MET 94 1.067 -7.900 10.574 735 HA MET 94 HA MET 94 -0.270 -5.648 11.715 736 HB2 MET 94 2HB MET 94 -0.528 -7.976 12.544 737 HB3 MET 94 3HB MET 94 1.135 -7.931 13.133 738 HG2 MET 94 2HG MET 94 0.600 -6.103 14.651 739 HG3 MET 94 3HG MET 94 -1.036 -6.003 14.002 740 HE1 MET 94 3HE MET 94 -1.729 -5.925 16.280 741 HE2 MET 94 1HE MET 94 -2.264 -7.358 17.173 742 HE3 MET 94 2HE MET 94 -2.950 -6.993 15.592 743 H ARG 95 H ARG 95 3.053 -6.864 12.152 744 HA ARG 95 HA ARG 95 3.874 -4.787 13.957 745 HB2 ARG 95 2HB ARG 95 5.419 -6.604 12.092 746 HB3 ARG 95 3HB ARG 95 6.204 -5.484 13.204 747 HG2 ARG 95 2HG ARG 95 5.134 -6.566 15.113 748 HG3 ARG 95 3HG ARG 95 4.226 -7.626 14.036 749 HD2 ARG 95 2HD ARG 95 6.178 -8.808 14.945 750 HD3 ARG 95 3HD ARG 95 6.347 -8.589 13.203 751 HE ARG 95 HE ARG 95 7.610 -6.535 14.917 752 HH11 ARG 95 1HH2 ARG 95 7.896 -9.393 12.984 753 HH12 ARG 95 2HH2 ARG 95 9.601 -9.213 12.751 754 HH21 ARG 95 1HH1 ARG 95 9.830 -6.306 14.618 755 HH22 ARG 95 2HH1 ARG 95 10.693 -7.475 13.675 756 H PHE 96 H PHE 96 4.064 -5.129 10.431 757 HA PHE 96 HA PHE 96 5.524 -2.712 9.929 758 HB2 PHE 96 2HB PHE 96 3.740 -4.514 8.309 759 HB3 PHE 96 3HB PHE 96 4.204 -2.959 7.630 760 HD1 PHE 96 HD1 PHE 96 6.170 -5.273 9.829 761 HD2 PHE 96 HD2 PHE 96 5.774 -3.470 5.951 762 HE1 PHE 96 HE1 PHE 96 8.366 -6.198 9.178 763 HE2 PHE 96 HE2 PHE 96 7.976 -4.402 5.298 764 HZ PHE 96 HZ PHE 96 9.272 -5.765 6.914 765 H MET 97 H MET 97 2.040 -3.417 9.950 766 HA MET 97 HA MET 97 1.170 -0.776 9.307 767 HB2 MET 97 2HB MET 97 -0.289 -2.792 9.223 768 HB3 MET 97 3HB MET 97 -0.249 -2.863 10.986 769 HG2 MET 97 2HG MET 97 -1.296 -0.671 11.148 770 HG3 MET 97 3HG MET 97 -1.241 -0.482 9.396 771 HE1 MET 97 3HE MET 97 -3.161 -1.521 12.386 772 HE2 MET 97 1HE MET 97 -2.309 -3.052 12.149 773 HE3 MET 97 2HE MET 97 -4.059 -2.976 11.960 774 H GLU 98 H GLU 98 1.863 -2.354 12.402 775 HA GLU 98 HA GLU 98 0.955 -0.198 14.070 776 HB2 GLU 98 2HB GLU 98 1.377 -2.518 14.879 777 HB3 GLU 98 3HB GLU 98 3.104 -2.263 14.630 778 HG2 GLU 98 2HG GLU 98 3.103 -0.428 16.245 779 HG3 GLU 98 3HG GLU 98 1.360 -0.586 16.457 780 H ARG 99 H ARG 99 4.100 -0.991 12.636 781 HA ARG 99 HA ARG 99 5.574 1.124 13.905 782 HB2 ARG 99 2HB ARG 99 6.524 -0.901 12.668 783 HB3 ARG 99 3HB ARG 99 6.137 -0.048 11.175 784 HG2 ARG 99 2HG ARG 99 8.330 0.661 11.482 785 HG3 ARG 99 3HG ARG 99 7.473 1.943 12.335 786 HD2 ARG 99 2HD ARG 99 9.306 1.147 13.733 787 HD3 ARG 99 3HD ARG 99 7.781 0.659 14.468 788 HE ARG 99 HE ARG 99 8.821 -1.391 12.703 789 HH11 ARG 99 1HH2 ARG 99 9.055 0.058 15.829 790 HH12 ARG 99 2HH2 ARG 99 9.667 -1.374 16.587 791 HH21 ARG 99 1HH1 ARG 99 9.614 -3.258 13.681 792 HH22 ARG 99 2HH1 ARG 99 9.984 -3.249 15.374 793 H TYR 100 H TYR 100 3.858 0.910 10.807 794 HA TYR 100 HA TYR 100 4.575 3.463 9.778 795 HB2 TYR 100 2HB TYR 100 3.431 1.769 8.413 796 HB3 TYR 100 3HB TYR 100 2.005 1.887 9.439 797 HD1 TYR 100 HD1 TYR 100 4.122 3.705 7.000 798 HD2 TYR 100 HD2 TYR 100 0.448 3.703 9.227 799 HE1 TYR 100 HE1 TYR 100 3.294 5.603 5.637 800 HE2 TYR 100 HE2 TYR 100 -0.380 5.602 7.864 801 HH TYR 100 HH TYR 100 0.186 7.165 6.356 802 H GLY 101 H GLY 101 1.798 2.468 11.775 803 HA2 GLY 101 2HA GLY 101 0.632 5.085 11.974 804 HA3 GLY 101 3HA GLY 101 0.312 3.739 13.068 805 H ALA 102 H ALA 102 2.905 3.304 14.043 806 HA ALA 102 HA ALA 102 3.068 5.253 16.131 807 HB1 ALA 102 3HB ALA 102 5.074 4.083 16.811 808 HB2 ALA 102 1HB ALA 102 5.264 3.386 15.202 809 HB3 ALA 102 2HB ALA 102 3.922 2.879 16.228 810 H GLU 103 H GLU 103 5.157 4.704 13.290 811 HA GLU 103 HA GLU 103 6.817 7.016 13.789 812 HB2 GLU 103 2HB GLU 103 6.335 5.363 11.296 813 HB3 GLU 103 3HB GLU 103 7.555 6.632 11.412 814 HG2 GLU 103 2HG GLU 103 8.648 5.446 13.255 815 HG3 GLU 103 3HG GLU 103 7.400 4.201 13.217 816 H ASN 104 H ASN 104 4.041 6.389 11.664 817 HA ASN 104 HA ASN 104 3.911 9.313 11.031 818 HB2 ASN 104 2HB ASN 104 2.507 7.014 9.640 819 HB3 ASN 104 3HB ASN 104 2.612 8.688 9.088 820 HD21 ASN 104 1HD2 ASN 104 3.746 5.973 8.004 821 HD22 ASN 104 2HD2 ASN 104 5.369 6.341 7.677 822 H GLY 105 H GLY 105 2.527 10.374 12.300 823 HA2 GLY 105 2HA GLY 105 0.227 8.961 13.539 824 HA3 GLY 105 3HA GLY 105 0.813 10.565 13.977 825 H LEU 106 H LEU 106 -0.012 9.244 10.795 826 HA LEU 106 HA LEU 106 -1.310 10.178 9.080 827 HB2 LEU 106 2HB LEU 106 -3.106 10.191 11.506 828 HB3 LEU 106 3HB LEU 106 -3.696 10.710 9.926 829 HG LEU 106 HG LEU 106 -2.964 8.537 8.963 830 HD11 LEU 106 1HD1 LEU 106 -1.200 7.813 10.361 831 HD12 LEU 106 2HD1 LEU 106 -2.520 6.718 10.762 832 HD13 LEU 106 3HD1 LEU 106 -2.140 8.068 11.833 833 HD21 LEU 106 3HD2 LEU 106 -4.785 8.286 11.379 834 HD22 LEU 106 1HD2 LEU 106 -4.740 7.183 10.003 835 HD23 LEU 106 2HD2 LEU 106 -5.281 8.846 9.781 836 H GLY 107 H GLY 107 -0.392 12.044 8.380 837 HA2 GLY 107 2HA GLY 107 -0.488 14.357 7.889 838 HA3 GLY 107 3HA GLY 107 -1.660 14.556 9.192 839 H PHE 108 H PHE 108 0.871 12.770 10.381 840 HA PHE 108 HA PHE 108 1.800 14.935 12.060 841 HB2 PHE 108 2HB PHE 108 1.761 12.642 12.896 842 HB3 PHE 108 3HB PHE 108 2.899 12.141 11.641 843 HD1 PHE 108 HD2 PHE 108 2.526 14.537 14.505 844 HD2 PHE 108 HD1 PHE 108 5.219 12.285 12.028 845 HE1 PHE 108 HE2 PHE 108 4.422 15.203 15.959 846 HE2 PHE 108 HE1 PHE 108 7.114 12.952 13.483 847 HZ PHE 108 HZ PHE 108 6.715 14.410 15.447 848 H SER 109 H SER 109 3.703 16.087 11.950 849 HA SER 109 HA SER 109 4.972 16.275 9.339 850 HB2 SER 109 2HB SER 109 6.431 17.967 10.608 851 HB3 SER 109 3HB SER 109 4.711 18.326 10.500 852 HG SER 109 HG SER 109 5.638 16.790 12.652 853 H LYS 110 H LYS 110 6.843 15.337 8.704 854 HA LYS 110 HA LYS 110 9.001 14.639 10.454 855 HB2 LYS 110 2HB LYS 110 7.386 12.841 11.113 856 HB3 LYS 110 3HB LYS 110 7.371 12.286 9.440 857 HG2 LYS 110 2HG LYS 110 9.772 11.832 9.533 858 HG3 LYS 110 3HG LYS 110 9.854 12.481 11.171 859 HD2 LYS 110 2HD LYS 110 8.292 10.722 11.938 860 HD3 LYS 110 3HD LYS 110 8.248 10.060 10.304 861 HE2 LYS 110 2HE LYS 110 10.783 10.364 11.939 862 HE3 LYS 110 3HE LYS 110 9.855 8.868 11.824 863 HZ1 LYS 110 3HZ LYS 110 10.225 9.763 9.233 864 HZ2 LYS 110 1HZ LYS 110 10.957 8.424 9.974 865 HZ3 LYS 110 2HZ LYS 110 11.730 9.937 10.002 866 H SER 111 H SER 111 9.676 15.982 8.548 867 HA SER 111 HA SER 111 10.664 16.232 6.429 868 HB2 SER 111 2HB SER 111 12.195 14.386 5.836 869 HB3 SER 111 3HB SER 111 12.318 14.802 7.543 870 HG SER 111 HG SER 111 11.324 12.970 8.073 871 H GLU 112 H GLU 112 10.050 12.790 6.041 872 HA GLU 112 HA GLU 112 9.128 12.922 3.391 873 HB2 GLU 112 2HB GLU 112 8.415 10.956 5.588 874 HB3 GLU 112 3HB GLU 112 8.097 10.689 3.875 875 HG2 GLU 112 2HG GLU 112 10.845 11.192 5.057 876 HG3 GLU 112 3HG GLU 112 10.207 9.598 4.651 877 H LEU 113 H LEU 113 7.190 12.845 6.395 878 HA LEU 113 HA LEU 113 4.653 13.069 5.053 879 HB2 LEU 113 2HB LEU 113 5.427 13.821 7.887 880 HB3 LEU 113 3HB LEU 113 3.776 13.639 7.296 881 HG LEU 113 HG LEU 113 5.879 11.459 7.333 882 HD11 LEU 113 1HD1 LEU 113 3.401 11.780 9.045 883 HD12 LEU 113 2HD1 LEU 113 5.036 12.171 9.581 884 HD13 LEU 113 3HD1 LEU 113 4.617 10.512 9.168 885 HD21 LEU 113 3HD2 LEU 113 3.633 10.100 6.973 886 HD22 LEU 113 1HD2 LEU 113 4.448 10.833 5.595 887 HD23 LEU 113 2HD2 LEU 113 3.052 11.631 6.320 888 H GLU 114 H GLU 114 5.342 15.501 7.442 889 HA GLU 114 HA GLU 114 4.868 17.798 7.363 890 HB2 GLU 114 2HB GLU 114 6.763 17.400 5.036 891 HB3 GLU 114 3HB GLU 114 6.306 18.985 5.661 892 HG2 GLU 114 2HG GLU 114 7.188 18.398 7.868 893 HG3 GLU 114 3HG GLU 114 7.592 16.780 7.296 894 H HIS 115 H HIS 115 5.320 17.763 3.917 895 HA HIS 115 HA HIS 115 3.910 18.598 2.241 896 HB2 HIS 115 2HB HIS 115 3.277 16.184 2.431 897 HB3 HIS 115 3HB HIS 115 1.971 16.649 3.523 898 HD1 HIS 115 HD1 HIS 115 -0.041 17.941 2.503 899 HD2 HIS 115 HD2 HIS 115 2.869 16.908 -0.300 900 HE1 HIS 115 HE1 HIS 115 -1.060 18.361 0.224 901 H HIS 116 H HIS 116 3.722 20.738 3.155 902 HA HIS 116 HA HIS 116 0.934 21.402 3.834 903 HB2 HIS 116 2HB HIS 116 1.544 22.681 5.844 904 HB3 HIS 116 3HB HIS 116 1.946 20.977 6.046 905 HD1 HIS 116 HD1 HIS 116 3.792 23.974 4.539 906 HD2 HIS 116 HD2 HIS 116 4.453 20.795 7.153 907 HE1 HIS 116 HE1 HIS 116 6.201 24.160 5.297 908 H HIS 117 H HIS 117 0.642 23.805 3.897 909 HA HIS 117 HA HIS 117 1.993 25.022 1.640 910 HB2 HIS 117 2HB HIS 117 -0.399 25.420 2.187 911 HB3 HIS 117 3HB HIS 117 0.100 26.272 3.648 912 HD1 HIS 117 HD1 HIS 117 0.749 28.694 3.398 913 HD2 HIS 117 HD2 HIS 117 0.539 26.738 -0.278 914 HE1 HIS 117 HE1 HIS 117 1.052 30.473 1.620 915 H HIS 118 H HIS 118 2.817 27.366 1.895 916 HA HIS 118 HA HIS 118 5.102 27.327 3.644 917 HB2 HIS 118 2HB HIS 118 3.872 29.553 1.997 918 HB3 HIS 118 3HB HIS 118 5.410 29.693 2.848 919 HD1 HIS 118 HD1 HIS 118 5.755 29.996 -0.060 920 HD2 HIS 118 HD2 HIS 118 5.596 26.205 1.669 921 HE1 HIS 118 HE1 HIS 118 6.867 28.414 -1.696 922 H HIS 119 H HIS 119 5.431 28.258 5.603 923 HA HIS 119 HA HIS 119 3.073 29.162 7.100 924 HB2 HIS 119 2HB HIS 119 4.796 27.628 8.076 925 HB3 HIS 119 3HB HIS 119 5.959 28.952 8.004 926 HD1 HIS 119 HD1 HIS 119 5.494 31.034 9.551 927 HD2 HIS 119 HD2 HIS 119 2.919 27.814 10.172 928 HE1 HIS 119 HE1 HIS 119 4.303 31.480 11.741 929 H HIS 120 H HIS 120 2.552 31.235 7.448 930 HA HIS 120 HA HIS 120 3.872 33.408 6.166 931 HB2 HIS 120 2HB HIS 120 1.944 33.404 8.507 932 HB3 HIS 120 3HB HIS 120 2.372 34.826 7.555 933 HD1 HIS 120 HD1 HIS 120 1.961 34.406 4.819 934 HD2 HIS 120 HD2 HIS 120 -0.272 32.108 7.486 935 HE1 HIS 120 HE1 HIS 120 -0.024 33.527 3.517 Start of MODEL 13 1 H1 MET 1 1H MET 1 7.200 -2.565 4.062 2 H2 MET 1 2H MET 1 6.739 -3.979 4.883 3 H3 MET 1 3H MET 1 7.454 -2.693 5.734 4 HA MET 1 HA MET 1 5.022 -2.079 4.260 5 HB2 MET 1 2HB MET 1 5.150 -3.884 6.683 6 HB3 MET 1 3HB MET 1 3.716 -2.926 6.310 7 HG2 MET 1 2HG MET 1 3.498 -3.990 4.149 8 HG3 MET 1 3HG MET 1 5.023 -4.848 4.363 9 HE1 MET 1 3HE MET 1 5.591 -6.308 6.058 10 HE2 MET 1 1HE MET 1 4.533 -7.557 6.725 11 HE3 MET 1 2HE MET 1 4.744 -6.030 7.578 12 H ALA 2 H ALA 2 7.590 -1.152 5.895 13 HA ALA 2 HA ALA 2 6.195 0.737 7.739 14 HB1 ALA 2 3HB ALA 2 8.258 -0.724 8.394 15 HB2 ALA 2 1HB ALA 2 8.234 0.972 8.876 16 HB3 ALA 2 2HB ALA 2 9.180 0.467 7.480 17 H GLU 3 H GLU 3 7.764 0.550 4.662 18 HA GLU 3 HA GLU 3 7.397 3.481 4.339 19 HB2 GLU 3 2HB GLU 3 9.779 3.123 5.007 20 HB3 GLU 3 3HB GLU 3 9.979 2.074 3.604 21 HG2 GLU 3 2HG GLU 3 9.370 3.919 2.109 22 HG3 GLU 3 3HG GLU 3 9.110 4.975 3.496 23 H ILE 4 H ILE 4 6.575 3.943 2.362 24 HA ILE 4 HA ILE 4 6.432 1.727 0.343 25 HB ILE 4 HB ILE 4 4.615 4.119 0.776 26 HG12 ILE 4 2HG1 ILE 4 3.999 1.178 1.139 27 HG13 ILE 4 3HG1 ILE 4 4.560 2.193 2.466 28 HG21 ILE 4 1HG2 ILE 4 3.174 2.875 -0.891 29 HG22 ILE 4 2HG2 ILE 4 4.556 1.824 -1.202 30 HG23 ILE 4 3HG2 ILE 4 4.657 3.547 -1.569 31 HD11 ILE 4 3HD1 ILE 4 2.080 2.662 0.789 32 HD12 ILE 4 1HD1 ILE 4 2.654 3.734 2.067 33 HD13 ILE 4 2HD1 ILE 4 2.111 2.103 2.461 34 H GLN 5 H GLN 5 7.441 2.070 -1.574 35 HA GLN 5 HA GLN 5 7.940 4.867 -2.482 36 HB2 GLN 5 2HB GLN 5 10.039 2.708 -2.163 37 HB3 GLN 5 3HB GLN 5 10.275 4.150 -3.151 38 HG2 GLN 5 2HG GLN 5 9.847 5.575 -1.188 39 HG3 GLN 5 3HG GLN 5 9.593 4.139 -0.198 40 HE21 GLN 5 1HE2 GLN 5 11.424 4.022 1.129 41 HE22 GLN 5 2HE2 GLN 5 13.024 4.100 0.570 42 H PHE 6 H PHE 6 7.298 5.048 -4.538 43 HA PHE 6 HA PHE 6 6.679 2.630 -6.096 44 HB2 PHE 6 2HB PHE 6 6.332 5.586 -6.676 45 HB3 PHE 6 3HB PHE 6 5.797 4.294 -7.751 46 HD1 PHE 6 HD2 PHE 6 4.124 2.592 -6.900 47 HD2 PHE 6 HD1 PHE 6 5.045 6.206 -4.765 48 HE1 PHE 6 HE2 PHE 6 2.040 2.344 -5.579 49 HE2 PHE 6 HE1 PHE 6 2.960 5.955 -3.443 50 HZ PHE 6 HZ PHE 6 1.457 4.026 -3.852 51 H SER 7 H SER 7 9.409 4.435 -5.565 52 HA SER 7 HA SER 7 10.711 3.324 -7.949 53 HB2 SER 7 2HB SER 7 9.905 5.429 -8.866 54 HB3 SER 7 3HB SER 7 10.543 6.316 -7.485 55 HG SER 7 HG SER 7 11.843 5.203 -9.678 56 H LYS 8 H LYS 8 11.042 2.741 -5.231 57 HA LYS 8 HA LYS 8 12.561 2.892 -3.405 58 HB2 LYS 8 2HB LYS 8 14.875 2.244 -4.264 59 HB3 LYS 8 3HB LYS 8 13.550 1.177 -4.718 60 HG2 LYS 8 2HG LYS 8 13.409 2.206 -6.917 61 HG3 LYS 8 3HG LYS 8 14.627 3.402 -6.472 62 HD2 LYS 8 2HD LYS 8 16.279 1.596 -6.168 63 HD3 LYS 8 3HD LYS 8 15.058 0.407 -6.621 64 HE2 LYS 8 2HE LYS 8 14.826 1.467 -8.830 65 HE3 LYS 8 3HE LYS 8 16.030 2.677 -8.382 66 HZ1 LYS 8 3HZ LYS 8 17.547 0.723 -7.945 67 HZ2 LYS 8 1HZ LYS 8 17.189 1.050 -9.571 68 HZ3 LYS 8 2HZ LYS 8 16.410 -0.231 -8.772 69 H GLY 9 H GLY 9 11.914 5.511 -4.088 70 HA2 GLY 9 2HA GLY 9 13.996 7.020 -2.933 71 HA3 GLY 9 3HA GLY 9 14.189 7.155 -4.683 72 H VAL 10 H VAL 10 11.017 6.713 -3.293 73 HA VAL 10 HA VAL 10 10.257 9.415 -4.294 74 HB VAL 10 HB VAL 10 8.468 7.151 -3.366 75 HG11 VAL 10 1HG1 VAL 10 7.431 9.388 -3.342 76 HG12 VAL 10 2HG1 VAL 10 6.759 8.408 -4.645 77 HG13 VAL 10 3HG1 VAL 10 7.957 9.653 -5.005 78 HG21 VAL 10 3HG2 VAL 10 9.778 6.408 -5.276 79 HG22 VAL 10 1HG2 VAL 10 9.470 7.925 -6.123 80 HG23 VAL 10 2HG2 VAL 10 8.151 6.792 -5.835 81 H ALA 11 H ALA 11 9.711 11.027 -2.936 82 HA ALA 11 HA ALA 11 10.224 10.857 -0.129 83 HB1 ALA 11 3HB ALA 11 10.394 12.972 -1.321 84 HB2 ALA 11 1HB ALA 11 9.174 13.123 -0.056 85 HB3 ALA 11 2HB ALA 11 8.681 12.910 -1.737 86 H GLU 12 H GLU 12 8.841 10.630 1.617 87 HA GLU 12 HA GLU 12 6.243 9.366 1.071 88 HB2 GLU 12 2HB GLU 12 7.711 9.949 3.662 89 HB3 GLU 12 3HB GLU 12 6.194 9.061 3.551 90 HG2 GLU 12 2HG GLU 12 7.783 7.337 3.571 91 HG3 GLU 12 3HG GLU 12 7.475 7.544 1.848 92 H THR 13 H THR 13 6.030 10.894 4.005 93 HA THR 13 HA THR 13 4.655 12.601 4.809 94 HB THR 13 HB THR 13 4.931 14.758 3.841 95 HG1 THR 13 HG1 THR 13 4.664 13.455 1.589 96 HG21 THR 13 3HG2 THR 13 7.027 13.551 4.673 97 HG22 THR 13 1HG2 THR 13 7.294 14.934 3.611 98 HG23 THR 13 2HG2 THR 13 7.427 13.295 2.974 99 H VAL 14 H VAL 14 3.952 10.783 2.180 100 HA VAL 14 HA VAL 14 1.621 12.060 1.094 101 HB VAL 14 HB VAL 14 2.500 9.164 1.175 102 HG11 VAL 14 1HG1 VAL 14 0.856 8.991 -0.788 103 HG12 VAL 14 2HG1 VAL 14 0.180 10.516 -0.214 104 HG13 VAL 14 3HG1 VAL 14 0.147 9.089 0.824 105 HG21 VAL 14 3HG2 VAL 14 2.724 11.396 -0.857 106 HG22 VAL 14 1HG2 VAL 14 2.962 9.701 -1.277 107 HG23 VAL 14 2HG2 VAL 14 4.030 10.477 -0.109 108 H VAL 15 H VAL 15 2.088 9.625 3.638 109 HA VAL 15 HA VAL 15 0.684 8.929 5.375 110 HB VAL 15 HB VAL 15 -0.974 11.396 4.799 111 HG11 VAL 15 1HG1 VAL 15 -0.421 9.731 7.268 112 HG12 VAL 15 2HG1 VAL 15 -1.956 9.876 6.414 113 HG13 VAL 15 3HG1 VAL 15 -1.296 11.261 7.284 114 HG21 VAL 15 3HG2 VAL 15 1.536 11.152 6.493 115 HG22 VAL 15 1HG2 VAL 15 0.531 12.593 6.333 116 HG23 VAL 15 2HG2 VAL 15 1.439 11.992 4.945 117 HA PRO 16 HA PRO 16 -2.373 7.593 2.045 118 HB2 PRO 16 2HB PRO 16 -1.521 4.960 1.890 119 HB3 PRO 16 3HB PRO 16 -0.941 6.263 0.837 120 HG2 PRO 16 2HG PRO 16 0.370 5.017 3.197 121 HG3 PRO 16 3HG PRO 16 1.090 5.671 1.717 122 HD2 PRO 16 2HD PRO 16 1.081 7.000 4.147 123 HD3 PRO 16 3HD PRO 16 1.213 7.812 2.573 124 H GLU 17 H GLU 17 -4.268 6.389 2.449 125 HA GLU 17 HA GLU 17 -4.744 5.767 5.281 126 HB2 GLU 17 2HB GLU 17 -6.514 5.749 2.827 127 HB3 GLU 17 3HB GLU 17 -7.088 5.311 4.436 128 HG2 GLU 17 2HG GLU 17 -6.437 7.508 5.296 129 HG3 GLU 17 3HG GLU 17 -5.782 7.951 3.720 130 H VAL 18 H VAL 18 -5.536 3.717 6.021 131 HA VAL 18 HA VAL 18 -4.638 1.395 4.339 132 HB VAL 18 HB VAL 18 -4.738 1.766 7.348 133 HG11 VAL 18 1HG1 VAL 18 -3.649 -0.581 7.265 134 HG12 VAL 18 2HG1 VAL 18 -4.319 -0.690 5.638 135 HG13 VAL 18 3HG1 VAL 18 -5.393 -0.489 7.021 136 HG21 VAL 18 3HG2 VAL 18 -2.799 2.782 6.254 137 HG22 VAL 18 1HG2 VAL 18 -2.481 1.286 5.378 138 HG23 VAL 18 2HG2 VAL 18 -2.292 1.337 7.130 139 H ARG 19 H ARG 19 -6.139 -0.103 3.847 140 HA ARG 19 HA ARG 19 -8.748 -0.086 5.316 141 HB2 ARG 19 2HB ARG 19 -8.310 -0.442 2.336 142 HB3 ARG 19 3HB ARG 19 -9.862 -0.553 3.161 143 HG2 ARG 19 2HG ARG 19 -8.160 1.933 3.386 144 HG3 ARG 19 3HG ARG 19 -9.249 1.700 2.021 145 HD2 ARG 19 2HD ARG 19 -10.051 1.718 4.951 146 HD3 ARG 19 3HD ARG 19 -10.384 2.979 3.770 147 HE ARG 19 HE ARG 19 -11.447 0.591 2.714 148 HH11 ARG 19 1HH2 ARG 19 -11.827 2.667 5.448 149 HH12 ARG 19 2HH2 ARG 19 -13.511 2.316 5.640 150 HH21 ARG 19 1HH1 ARG 19 -13.637 0.127 2.954 151 HH22 ARG 19 2HH1 ARG 19 -14.536 0.879 4.229 152 H LEU 20 H LEU 20 -9.557 -2.089 5.799 153 HA LEU 20 HA LEU 20 -7.840 -4.443 5.076 154 HB2 LEU 20 2HB LEU 20 -9.686 -4.048 7.450 155 HB3 LEU 20 3HB LEU 20 -8.657 -5.450 7.159 156 HG LEU 20 HG LEU 20 -7.674 -2.603 7.540 157 HD11 LEU 20 1HD1 LEU 20 -6.839 -3.412 9.700 158 HD12 LEU 20 2HD1 LEU 20 -7.505 -5.012 9.376 159 HD13 LEU 20 3HD1 LEU 20 -8.586 -3.638 9.603 160 HD21 LEU 20 3HD2 LEU 20 -5.455 -3.996 7.841 161 HD22 LEU 20 1HD2 LEU 20 -6.025 -3.625 6.217 162 HD23 LEU 20 2HD2 LEU 20 -6.313 -5.222 6.906 163 H SER 21 H SER 21 -8.815 -6.272 4.261 164 HA SER 21 HA SER 21 -11.766 -6.403 4.089 165 HB2 SER 21 2HB SER 21 -9.934 -6.077 1.718 166 HB3 SER 21 3HB SER 21 -11.475 -6.913 1.559 167 HG SER 21 HG SER 21 -11.117 -4.304 2.631 168 H LYS 22 H LYS 22 -12.500 -8.533 3.607 169 HA LYS 22 HA LYS 22 -10.384 -10.651 3.857 170 HB2 LYS 22 2HB LYS 22 -11.927 -10.490 5.793 171 HB3 LYS 22 3HB LYS 22 -13.292 -10.754 4.708 172 HG2 LYS 22 2HG LYS 22 -12.409 -12.944 4.072 173 HG3 LYS 22 3HG LYS 22 -10.976 -12.678 5.067 174 HD2 LYS 22 2HD LYS 22 -12.403 -12.532 7.079 175 HD3 LYS 22 3HD LYS 22 -13.830 -12.819 6.082 176 HE2 LYS 22 2HE LYS 22 -12.939 -15.008 5.408 177 HE3 LYS 22 3HE LYS 22 -11.487 -14.723 6.369 178 HZ1 LYS 22 3HZ LYS 22 -14.216 -15.315 7.249 179 HZ2 LYS 22 1HZ LYS 22 -13.265 -14.314 8.232 180 HZ3 LYS 22 2HZ LYS 22 -12.734 -15.883 7.856 181 H SER 23 H SER 23 -10.284 -12.141 2.283 182 HA SER 23 HA SER 23 -11.305 -11.848 -0.256 183 HB2 SER 23 2HB SER 23 -10.843 -14.235 -0.595 184 HB3 SER 23 3HB SER 23 -9.580 -13.494 0.383 185 HG SER 23 HG SER 23 -11.593 -14.347 1.946 186 H LYS 24 H LYS 24 -13.399 -11.496 -0.751 187 HA LYS 24 HA LYS 24 -15.653 -12.544 0.677 188 HB2 LYS 24 2HB LYS 24 -15.400 -11.435 -2.136 189 HB3 LYS 24 3HB LYS 24 -16.938 -11.790 -1.349 190 HG2 LYS 24 2HG LYS 24 -16.367 -10.214 0.473 191 HG3 LYS 24 3HG LYS 24 -14.840 -9.847 -0.332 192 HD2 LYS 24 2HD LYS 24 -16.041 -8.991 -2.286 193 HD3 LYS 24 3HD LYS 24 -17.585 -9.417 -1.548 194 HE2 LYS 24 2HE LYS 24 -17.189 -7.046 -1.191 195 HE3 LYS 24 3HE LYS 24 -17.040 -7.881 0.355 196 HZ1 LYS 24 3HZ LYS 24 -14.855 -7.452 0.475 197 HZ2 LYS 24 1HZ LYS 24 -15.209 -6.202 -0.616 198 HZ3 LYS 24 2HZ LYS 24 -14.597 -7.680 -1.189 199 H ASN 25 H ASN 25 -13.954 -13.608 -2.262 200 HA ASN 25 HA ASN 25 -15.761 -15.938 -2.532 201 HB2 ASN 25 2HB ASN 25 -14.556 -16.393 -4.589 202 HB3 ASN 25 3HB ASN 25 -14.942 -14.674 -4.542 203 HD21 ASN 25 1HD2 ASN 25 -12.815 -15.468 -6.166 204 HD22 ASN 25 2HD2 ASN 25 -11.344 -14.980 -5.474 205 H GLY 26 H GLY 26 -13.347 -15.256 -0.506 206 HA2 GLY 26 2HA GLY 26 -12.208 -16.748 0.936 207 HA3 GLY 26 3HA GLY 26 -12.693 -18.085 -0.105 208 H GLN 27 H GLN 27 -10.135 -16.036 0.759 209 HA GLN 27 HA GLN 27 -8.317 -17.440 -0.997 210 HB2 GLN 27 2HB GLN 27 -9.483 -15.316 -2.233 211 HB3 GLN 27 3HB GLN 27 -8.132 -14.489 -1.462 212 HG2 GLN 27 2HG GLN 27 -7.945 -16.903 -3.289 213 HG3 GLN 27 3HG GLN 27 -7.483 -15.252 -3.700 214 HE21 GLN 27 1HE2 GLN 27 -5.321 -14.714 -3.295 215 HE22 GLN 27 2HE2 GLN 27 -4.281 -15.588 -2.277 216 H SER 28 H SER 28 -8.779 -16.812 1.861 217 HA SER 28 HA SER 28 -7.322 -16.620 3.695 218 HB2 SER 28 2HB SER 28 -5.034 -16.578 3.376 219 HB3 SER 28 3HB SER 28 -5.544 -17.118 1.779 220 HG SER 28 HG SER 28 -5.701 -14.557 1.635 221 H GLY 29 H GLY 29 -5.683 -14.678 4.512 222 HA2 GLY 29 2HA GLY 29 -7.420 -12.443 4.933 223 HA3 GLY 29 3HA GLY 29 -5.715 -12.508 5.374 224 H MET 30 H MET 30 -7.365 -10.346 4.067 225 HA MET 30 HA MET 30 -5.459 -9.804 1.840 226 HB2 MET 30 2HB MET 30 -7.490 -10.730 0.798 227 HB3 MET 30 3HB MET 30 -8.473 -9.522 1.630 228 HG2 MET 30 2HG MET 30 -7.389 -7.723 0.446 229 HG3 MET 30 3HG MET 30 -6.201 -8.827 -0.245 230 HE1 MET 30 3HE MET 30 -10.338 -9.529 -0.087 231 HE2 MET 30 1HE MET 30 -10.564 -8.178 -1.206 232 HE3 MET 30 2HE MET 30 -9.704 -7.933 0.309 233 H ALA 31 H ALA 31 -5.117 -7.576 1.470 234 HA ALA 31 HA ALA 31 -6.498 -5.642 3.267 235 HB1 ALA 31 3HB ALA 31 -4.230 -4.659 3.825 236 HB2 ALA 31 1HB ALA 31 -3.506 -6.111 3.136 237 HB3 ALA 31 2HB ALA 31 -4.546 -6.233 4.555 238 H LYS 32 H LYS 32 -6.513 -3.532 2.420 239 HA LYS 32 HA LYS 32 -5.340 -3.195 -0.322 240 HB2 LYS 32 2HB LYS 32 -8.043 -2.335 0.723 241 HB3 LYS 32 3HB LYS 32 -7.359 -1.776 -0.804 242 HG2 LYS 32 2HG LYS 32 -7.182 -4.116 -1.577 243 HG3 LYS 32 3HG LYS 32 -7.884 -4.669 -0.057 244 HD2 LYS 32 2HD LYS 32 -9.936 -3.384 -0.534 245 HD3 LYS 32 3HD LYS 32 -9.238 -2.836 -2.058 246 HE2 LYS 32 2HE LYS 32 -9.069 -5.172 -2.827 247 HE3 LYS 32 3HE LYS 32 -9.762 -5.726 -1.304 248 HZ1 LYS 32 3HZ LYS 32 -11.066 -4.637 -3.604 249 HZ2 LYS 32 1HZ LYS 32 -11.508 -3.828 -2.181 250 HZ3 LYS 32 2HZ LYS 32 -11.718 -5.510 -2.302 251 H PHE 33 H PHE 33 -4.360 -1.265 -0.731 252 HA PHE 33 HA PHE 33 -4.195 0.691 1.541 253 HB2 PHE 33 2HB PHE 33 -2.220 -0.130 -0.603 254 HB3 PHE 33 3HB PHE 33 -2.031 1.367 0.313 255 HD1 PHE 33 HD2 PHE 33 -1.593 1.334 2.720 256 HD2 PHE 33 HD1 PHE 33 -1.985 -2.313 0.484 257 HE1 PHE 33 HE2 PHE 33 -0.632 0.067 4.622 258 HE2 PHE 33 HE1 PHE 33 -1.028 -3.582 2.389 259 HZ PHE 33 HZ PHE 33 -0.351 -2.390 4.457 260 H TYR 34 H TYR 34 -5.303 2.516 1.153 261 HA TYR 34 HA TYR 34 -5.989 3.238 -1.651 262 HB2 TYR 34 2HB TYR 34 -7.795 3.161 0.038 263 HB3 TYR 34 3HB TYR 34 -6.950 4.381 0.990 264 HD1 TYR 34 HD1 TYR 34 -8.362 3.757 -2.414 265 HD2 TYR 34 HD2 TYR 34 -7.311 6.672 0.560 266 HE1 TYR 34 HE1 TYR 34 -9.414 5.533 -3.786 267 HE2 TYR 34 HE2 TYR 34 -8.364 8.450 -0.813 268 HH TYR 34 HH TYR 34 -8.923 8.333 -3.849 269 H PHE 35 H PHE 35 -4.829 4.770 -2.670 270 HA PHE 35 HA PHE 35 -3.096 6.604 -1.047 271 HB2 PHE 35 2HB PHE 35 -2.881 5.641 -3.915 272 HB3 PHE 35 3HB PHE 35 -1.819 6.843 -3.184 273 HD1 PHE 35 HD2 PHE 35 -0.247 6.231 -1.400 274 HD2 PHE 35 HD1 PHE 35 -2.763 3.303 -3.281 275 HE1 PHE 35 HE2 PHE 35 1.138 4.419 -0.432 276 HE2 PHE 35 HE1 PHE 35 -1.378 1.489 -2.314 277 HZ PHE 35 HZ PHE 35 0.573 2.046 -0.888 278 H LEU 36 H LEU 36 -3.697 8.699 -1.014 279 HA LEU 36 HA LEU 36 -5.576 9.686 -3.126 280 HB2 LEU 36 2HB LEU 36 -6.465 9.835 -0.846 281 HB3 LEU 36 3HB LEU 36 -5.031 10.716 -0.323 282 HG LEU 36 HG LEU 36 -5.582 12.575 -1.818 283 HD11 LEU 36 1HD1 LEU 36 -7.712 10.667 -2.765 284 HD12 LEU 36 2HD1 LEU 36 -6.620 11.676 -3.712 285 HD13 LEU 36 3HD1 LEU 36 -7.988 12.406 -2.877 286 HD21 LEU 36 3HD2 LEU 36 -7.836 13.186 -0.789 287 HD22 LEU 36 1HD2 LEU 36 -6.564 12.757 0.354 288 HD23 LEU 36 2HD2 LEU 36 -7.825 11.588 -0.043 289 H GLU 37 H GLU 37 -4.688 10.993 -4.609 290 HA GLU 37 HA GLU 37 -3.048 12.288 -5.695 291 HB2 GLU 37 2HB GLU 37 -3.522 13.703 -3.066 292 HB3 GLU 37 3HB GLU 37 -2.540 14.401 -4.354 293 HG2 GLU 37 2HG GLU 37 -4.434 14.247 -5.911 294 HG3 GLU 37 3HG GLU 37 -5.421 13.497 -4.657 295 HA PRO 38 HA PRO 38 0.410 10.403 -3.035 296 HB2 PRO 38 2HB PRO 38 1.174 8.466 -4.858 297 HB3 PRO 38 3HB PRO 38 0.005 8.199 -3.553 298 HG2 PRO 38 2HG PRO 38 -0.483 8.746 -6.445 299 HG3 PRO 38 3HG PRO 38 -1.333 7.644 -5.347 300 HD2 PRO 38 2HD PRO 38 -2.343 10.086 -6.052 301 HD3 PRO 38 3HD PRO 38 -2.673 9.329 -4.478 302 H THR 39 H THR 39 2.653 10.756 -3.391 303 HA THR 39 HA THR 39 3.255 12.642 -5.564 304 HB THR 39 HB THR 39 5.108 11.517 -3.443 305 HG1 THR 39 HG1 THR 39 4.027 12.705 -2.123 306 HG21 THR 39 3HG2 THR 39 5.206 14.017 -5.153 307 HG22 THR 39 1HG2 THR 39 6.254 12.608 -5.311 308 HG23 THR 39 2HG2 THR 39 6.350 13.623 -3.871 309 H ILE 40 H ILE 40 3.178 11.321 -7.420 310 HA ILE 40 HA ILE 40 5.627 10.042 -8.149 311 HB ILE 40 HB ILE 40 4.647 8.246 -6.670 312 HG12 ILE 40 2HG1 ILE 40 4.940 6.418 -8.365 313 HG13 ILE 40 3HG1 ILE 40 4.943 7.645 -9.628 314 HG21 ILE 40 1HG2 ILE 40 2.698 7.024 -7.401 315 HG22 ILE 40 2HG2 ILE 40 2.581 7.988 -8.870 316 HG23 ILE 40 3HG2 ILE 40 2.260 8.731 -7.302 317 HD11 ILE 40 3HD1 ILE 40 7.041 8.420 -9.067 318 HD12 ILE 40 1HD1 ILE 40 7.215 6.751 -8.526 319 HD13 ILE 40 2HD1 ILE 40 6.859 8.022 -7.357 320 H LEU 41 H LEU 41 2.251 10.709 -8.723 321 HA LEU 41 HA LEU 41 2.103 9.923 -11.468 322 HB2 LEU 41 2HB LEU 41 0.636 12.073 -9.910 323 HB3 LEU 41 3HB LEU 41 0.209 11.596 -11.552 324 HG LEU 41 HG LEU 41 0.332 9.675 -9.207 325 HD11 LEU 41 1HD1 LEU 41 -2.172 9.768 -9.330 326 HD12 LEU 41 2HD1 LEU 41 -2.022 11.120 -10.452 327 HD13 LEU 41 3HD1 LEU 41 -1.437 11.280 -8.796 328 HD21 LEU 41 3HD2 LEU 41 -1.251 8.426 -10.943 329 HD22 LEU 41 1HD2 LEU 41 0.499 8.321 -11.100 330 HD23 LEU 41 2HD2 LEU 41 -0.410 9.438 -12.118 331 H ALA 42 H ALA 42 3.101 12.935 -9.894 332 HA ALA 42 HA ALA 42 3.442 14.479 -12.278 333 HB1 ALA 42 3HB ALA 42 4.835 14.634 -9.586 334 HB2 ALA 42 1HB ALA 42 3.421 15.556 -10.095 335 HB3 ALA 42 2HB ALA 42 4.985 15.857 -10.851 336 H LYS 43 H LYS 43 5.504 12.204 -10.558 337 HA LYS 43 HA LYS 43 7.770 12.679 -12.390 338 HB2 LYS 43 2HB LYS 43 7.992 12.181 -9.884 339 HB3 LYS 43 3HB LYS 43 7.537 10.523 -10.280 340 HG2 LYS 43 2HG LYS 43 9.434 10.339 -11.816 341 HG3 LYS 43 3HG LYS 43 9.864 12.023 -11.517 342 HD2 LYS 43 2HD LYS 43 10.237 11.505 -9.131 343 HD3 LYS 43 3HD LYS 43 9.825 9.817 -9.436 344 HE2 LYS 43 2HE LYS 43 11.705 9.627 -11.011 345 HE3 LYS 43 3HE LYS 43 12.113 11.322 -10.740 346 HZ1 LYS 43 3HZ LYS 43 12.556 9.011 -9.038 347 HZ2 LYS 43 1HZ LYS 43 12.052 10.420 -8.240 348 HZ3 LYS 43 2HZ LYS 43 13.460 10.443 -9.190 349 H GLU 44 H GLU 44 6.185 9.665 -11.294 350 HA GLU 44 HA GLU 44 6.438 8.614 -14.099 351 HB2 GLU 44 2HB GLU 44 6.369 7.181 -11.429 352 HB3 GLU 44 3HB GLU 44 6.313 6.360 -12.990 353 HG2 GLU 44 2HG GLU 44 8.467 7.371 -13.615 354 HG3 GLU 44 3HG GLU 44 8.523 8.221 -12.072 355 H SER 45 H SER 45 4.620 8.001 -15.145 356 HA SER 45 HA SER 45 2.044 8.768 -14.159 357 HB2 SER 45 2HB SER 45 2.538 8.687 -16.554 358 HB3 SER 45 3HB SER 45 2.799 6.947 -16.462 359 HG SER 45 HG SER 45 0.441 8.431 -16.365 360 H THR 46 H THR 46 0.203 7.327 -13.822 361 HA THR 46 HA THR 46 0.756 5.243 -11.926 362 HB THR 46 HB THR 46 -1.348 6.160 -11.566 363 HG1 THR 46 HG1 THR 46 -1.766 3.999 -11.689 364 HG21 THR 46 3HG2 THR 46 -2.945 6.518 -13.579 365 HG22 THR 46 1HG2 THR 46 -1.503 6.313 -14.574 366 HG23 THR 46 2HG2 THR 46 -1.585 7.623 -13.393 367 H ASP 47 H ASP 47 0.076 5.234 -15.389 368 HA ASP 47 HA ASP 47 -0.336 2.382 -15.609 369 HB2 ASP 47 2HB ASP 47 0.452 4.513 -17.614 370 HB3 ASP 47 3HB ASP 47 0.178 2.829 -18.061 371 H ASP 48 H ASP 48 2.455 4.374 -15.239 372 HA ASP 48 HA ASP 48 4.327 2.452 -16.419 373 HB2 ASP 48 2HB ASP 48 4.719 4.953 -14.754 374 HB3 ASP 48 3HB ASP 48 6.046 3.991 -15.401 375 H ILE 49 H ILE 49 2.599 2.573 -13.545 376 HA ILE 49 HA ILE 49 4.743 1.258 -11.939 377 HB ILE 49 HB ILE 49 1.964 2.186 -11.149 378 HG12 ILE 49 2HG1 ILE 49 4.681 3.376 -10.509 379 HG13 ILE 49 3HG1 ILE 49 3.621 3.981 -11.781 380 HG21 ILE 49 1HG2 ILE 49 4.293 1.076 -9.559 381 HG22 ILE 49 2HG2 ILE 49 2.681 0.380 -9.707 382 HG23 ILE 49 3HG2 ILE 49 2.911 1.889 -8.826 383 HD11 ILE 49 3HD1 ILE 49 3.070 3.905 -8.807 384 HD12 ILE 49 1HD1 ILE 49 1.820 4.238 -10.007 385 HD13 ILE 49 2HD1 ILE 49 3.196 5.329 -9.840 386 H THR 50 H THR 50 4.853 -0.894 -12.080 387 HA THR 50 HA THR 50 2.406 -2.466 -12.768 388 HB THR 50 HB THR 50 5.332 -3.283 -12.769 389 HG1 THR 50 HG1 THR 50 5.321 -2.788 -14.847 390 HG21 THR 50 3HG2 THR 50 4.049 -5.255 -12.511 391 HG22 THR 50 1HG2 THR 50 4.331 -5.141 -14.248 392 HG23 THR 50 2HG2 THR 50 2.773 -4.665 -13.577 393 H GLY 51 H GLY 51 4.251 -1.527 -10.108 394 HA2 GLY 51 2HA GLY 51 2.833 -3.306 -8.333 395 HA3 GLY 51 3HA GLY 51 4.504 -3.832 -8.529 396 H MET 52 H MET 52 4.075 -3.217 -6.057 397 HA MET 52 HA MET 52 5.151 -0.441 -5.661 398 HB2 MET 52 2HB MET 52 2.772 -0.578 -4.957 399 HB3 MET 52 3HB MET 52 3.182 -1.912 -3.879 400 HG2 MET 52 2HG MET 52 4.671 -0.483 -2.594 401 HG3 MET 52 3HG MET 52 4.425 0.847 -3.725 402 HE1 MET 52 3HE MET 52 2.992 -1.697 -1.525 403 HE2 MET 52 1HE MET 52 1.372 -1.605 -2.228 404 HE3 MET 52 2HE MET 52 1.677 -0.951 -0.622 405 H TYR 53 H TYR 53 6.782 -0.279 -4.094 406 HA TYR 53 HA TYR 53 7.888 -2.892 -3.122 407 HB2 TYR 53 2HB TYR 53 9.192 -0.215 -3.672 408 HB3 TYR 53 3HB TYR 53 10.025 -1.581 -2.928 409 HD1 TYR 53 HD2 TYR 53 8.361 -0.367 -6.006 410 HD2 TYR 53 HD1 TYR 53 10.637 -3.532 -4.204 411 HE1 TYR 53 HE2 TYR 53 8.760 -1.358 -8.247 412 HE2 TYR 53 HE1 TYR 53 11.034 -4.523 -6.441 413 HH TYR 53 HH TYR 53 9.577 -4.326 -8.821 414 H LEU 54 H LEU 54 7.682 -3.284 -1.004 415 HA LEU 54 HA LEU 54 7.115 -1.037 0.879 416 HB2 LEU 54 2HB LEU 54 6.950 -4.043 1.272 417 HB3 LEU 54 3HB LEU 54 6.405 -2.820 2.418 418 HG LEU 54 HG LEU 54 5.340 -3.033 -0.412 419 HD11 LEU 54 1HD1 LEU 54 4.558 -5.037 0.469 420 HD12 LEU 54 2HD1 LEU 54 3.266 -3.944 0.960 421 HD13 LEU 54 3HD1 LEU 54 4.506 -4.422 2.118 422 HD21 LEU 54 3HD2 LEU 54 4.581 -1.454 2.054 423 HD22 LEU 54 1HD2 LEU 54 3.405 -1.770 0.782 424 HD23 LEU 54 2HD2 LEU 54 4.872 -0.867 0.417 425 H ILE 55 H ILE 55 8.988 -0.192 1.677 426 HA ILE 55 HA ILE 55 11.264 -2.037 2.299 427 HB ILE 55 HB ILE 55 11.119 0.964 1.900 428 HG12 ILE 55 2HG1 ILE 55 12.767 0.355 0.051 429 HG13 ILE 55 3HG1 ILE 55 12.370 -1.332 0.359 430 HG21 ILE 55 1HG2 ILE 55 13.356 -0.820 2.870 431 HG22 ILE 55 2HG2 ILE 55 12.753 0.669 3.597 432 HG23 ILE 55 3HG2 ILE 55 13.677 0.731 2.096 433 HD11 ILE 55 3HD1 ILE 55 11.079 0.065 -1.499 434 HD12 ILE 55 1HD1 ILE 55 10.104 0.579 -0.123 435 HD13 ILE 55 2HD1 ILE 55 10.238 -1.134 -0.523 436 H ASP 56 H ASP 56 12.470 -1.550 4.308 437 HA ASP 56 HA ASP 56 11.174 -0.014 6.413 438 HB2 ASP 56 2HB ASP 56 9.807 -2.104 6.382 439 HB3 ASP 56 3HB ASP 56 11.277 -3.031 6.672 440 H ASP 57 H ASP 57 12.389 -0.739 8.607 441 HA ASP 57 HA ASP 57 15.190 -0.237 8.135 442 HB2 ASP 57 2HB ASP 57 13.622 -1.019 10.606 443 HB3 ASP 57 3HB ASP 57 15.349 -0.660 10.632 444 H GLU 58 H GLU 58 13.274 -3.073 8.185 445 HA GLU 58 HA GLU 58 15.538 -4.751 7.585 446 HB2 GLU 58 2HB GLU 58 15.779 -4.535 10.075 447 HB3 GLU 58 3HB GLU 58 14.181 -5.260 10.247 448 HG2 GLU 58 2HG GLU 58 15.805 -7.027 10.505 449 HG3 GLU 58 3HG GLU 58 15.038 -7.249 8.933 450 H GLY 59 H GLY 59 14.338 -5.463 5.862 451 HA2 GLY 59 2HA GLY 59 13.037 -7.516 5.261 452 HA3 GLY 59 3HA GLY 59 11.855 -7.039 6.478 453 H GLU 60 H GLU 60 11.575 -7.445 3.524 454 HA GLU 60 HA GLU 60 10.035 -4.983 3.024 455 HB2 GLU 60 2HB GLU 60 11.069 -4.747 0.720 456 HB3 GLU 60 3HB GLU 60 12.123 -4.289 2.056 457 HG2 GLU 60 2HG GLU 60 12.156 -7.062 0.846 458 HG3 GLU 60 3HG GLU 60 13.179 -5.756 0.251 459 H ILE 61 H ILE 61 8.327 -5.342 1.614 460 HA ILE 61 HA ILE 61 8.048 -8.114 0.486 461 HB ILE 61 HB ILE 61 5.936 -6.384 1.810 462 HG12 ILE 61 2HG1 ILE 61 6.908 -9.173 2.497 463 HG13 ILE 61 3HG1 ILE 61 7.528 -7.715 3.268 464 HG21 ILE 61 1HG2 ILE 61 5.750 -8.946 0.213 465 HG22 ILE 61 2HG2 ILE 61 4.878 -7.437 -0.054 466 HG23 ILE 61 3HG2 ILE 61 4.492 -8.442 1.343 467 HD11 ILE 61 3HD1 ILE 61 5.145 -7.144 3.901 468 HD12 ILE 61 1HD1 ILE 61 5.781 -8.590 4.687 469 HD13 ILE 61 2HD1 ILE 61 4.679 -8.741 3.318 470 H ILE 62 H ILE 62 7.574 -8.162 -1.644 471 HA ILE 62 HA ILE 62 7.047 -5.564 -3.025 472 HB ILE 62 HB ILE 62 8.013 -8.251 -4.050 473 HG12 ILE 62 2HG1 ILE 62 10.074 -6.895 -4.559 474 HG13 ILE 62 3HG1 ILE 62 9.345 -5.548 -3.689 475 HG21 ILE 62 1HG2 ILE 62 7.318 -5.675 -5.467 476 HG22 ILE 62 2HG2 ILE 62 6.734 -7.302 -5.816 477 HG23 ILE 62 3HG2 ILE 62 8.407 -6.872 -6.171 478 HD11 ILE 62 3HD1 ILE 62 9.644 -6.535 -1.629 479 HD12 ILE 62 1HD1 ILE 62 10.989 -7.285 -2.482 480 HD13 ILE 62 2HD1 ILE 62 9.484 -8.175 -2.257 481 H THR 63 H THR 63 5.118 -5.209 -3.985 482 HA THR 63 HA THR 63 3.203 -7.511 -4.252 483 HB THR 63 HB THR 63 2.664 -4.614 -3.537 484 HG1 THR 63 HG1 THR 63 3.234 -5.727 -1.749 485 HG21 THR 63 3HG2 THR 63 0.843 -5.191 -4.902 486 HG22 THR 63 1HG2 THR 63 0.273 -5.598 -3.283 487 HG23 THR 63 2HG2 THR 63 0.846 -6.870 -4.361 488 H ARG 64 H ARG 64 2.680 -7.915 -6.299 489 HA ARG 64 HA ARG 64 3.194 -5.860 -8.393 490 HB2 ARG 64 2HB ARG 64 2.519 -8.814 -8.619 491 HB3 ARG 64 3HB ARG 64 2.961 -7.758 -9.959 492 HG2 ARG 64 2HG ARG 64 4.798 -8.084 -7.584 493 HG3 ARG 64 3HG ARG 64 4.815 -9.254 -8.901 494 HD2 ARG 64 2HD ARG 64 5.218 -7.388 -10.509 495 HD3 ARG 64 3HD ARG 64 5.303 -6.268 -9.152 496 HE ARG 64 HE ARG 64 7.448 -7.117 -8.632 497 HH11 ARG 64 1HH2 ARG 64 5.753 -9.109 -10.884 498 HH12 ARG 64 2HH2 ARG 64 7.138 -10.074 -11.271 499 HH21 ARG 64 1HH1 ARG 64 9.262 -8.357 -9.133 500 HH22 ARG 64 2HH1 ARG 64 9.126 -9.647 -10.280 501 H GLU 65 H GLU 65 0.751 -6.831 -6.417 502 HA GLU 65 HA GLU 65 -1.422 -6.659 -8.415 503 HB2 GLU 65 2HB GLU 65 -1.399 -7.069 -5.408 504 HB3 GLU 65 3HB GLU 65 -2.876 -6.971 -6.371 505 HG2 GLU 65 2HG GLU 65 -2.143 -8.884 -7.725 506 HG3 GLU 65 3HG GLU 65 -0.636 -8.969 -6.814 507 H VAL 66 H VAL 66 -0.592 -4.406 -8.934 508 HA VAL 66 HA VAL 66 -1.772 -2.386 -7.056 509 HB VAL 66 HB VAL 66 0.677 -2.204 -8.824 510 HG11 VAL 66 1HG1 VAL 66 0.757 0.178 -7.832 511 HG12 VAL 66 2HG1 VAL 66 -0.951 -0.051 -7.460 512 HG13 VAL 66 3HG1 VAL 66 -0.398 -0.106 -9.134 513 HG21 VAL 66 3HG2 VAL 66 1.826 -1.769 -6.740 514 HG22 VAL 66 1HG2 VAL 66 0.854 -3.222 -6.519 515 HG23 VAL 66 2HG2 VAL 66 0.301 -1.682 -5.861 516 H LYS 67 H LYS 67 -3.313 -1.102 -7.906 517 HA LYS 67 HA LYS 67 -3.637 -1.011 -10.888 518 HB2 LYS 67 2HB LYS 67 -5.777 -1.363 -8.769 519 HB3 LYS 67 3HB LYS 67 -6.109 -1.003 -10.464 520 HG2 LYS 67 2HG LYS 67 -4.942 -3.062 -11.142 521 HG3 LYS 67 3HG LYS 67 -4.585 -3.422 -9.451 522 HD2 LYS 67 2HD LYS 67 -7.003 -3.512 -8.959 523 HD3 LYS 67 3HD LYS 67 -7.357 -3.163 -10.652 524 HE2 LYS 67 2HE LYS 67 -6.199 -5.227 -11.331 525 HE3 LYS 67 3HE LYS 67 -5.821 -5.576 -9.644 526 HZ1 LYS 67 3HZ LYS 67 -8.613 -5.050 -10.238 527 HZ2 LYS 67 1HZ LYS 67 -7.921 -6.207 -9.208 528 HZ3 LYS 67 2HZ LYS 67 -7.985 -6.491 -10.883 529 H GLY 68 H GLY 68 -4.261 0.983 -11.703 530 HA2 GLY 68 2HA GLY 68 -3.929 3.272 -9.860 531 HA3 GLY 68 3HA GLY 68 -3.979 3.354 -11.619 532 H LYS 69 H LYS 69 -5.561 4.659 -9.301 533 HA LYS 69 HA LYS 69 -8.323 3.989 -10.244 534 HB2 LYS 69 2HB LYS 69 -7.363 5.455 -7.766 535 HB3 LYS 69 3HB LYS 69 -9.052 5.168 -8.177 536 HG2 LYS 69 2HG LYS 69 -7.017 2.946 -7.840 537 HG3 LYS 69 3HG LYS 69 -8.063 3.505 -6.536 538 HD2 LYS 69 2HD LYS 69 -10.022 3.053 -8.169 539 HD3 LYS 69 3HD LYS 69 -8.853 2.138 -9.115 540 HE2 LYS 69 2HE LYS 69 -8.386 0.674 -7.242 541 HE3 LYS 69 3HE LYS 69 -9.426 1.635 -6.187 542 HZ1 LYS 69 3HZ LYS 69 -10.947 1.012 -8.402 543 HZ2 LYS 69 1HZ LYS 69 -11.101 0.369 -6.841 544 HZ3 LYS 69 2HZ LYS 69 -10.138 -0.426 -7.993 545 H PHE 70 H PHE 70 -9.332 5.408 -11.508 546 HA PHE 70 HA PHE 70 -8.094 8.087 -11.934 547 HB2 PHE 70 2HB PHE 70 -10.124 6.560 -13.589 548 HB3 PHE 70 3HB PHE 70 -9.397 8.107 -14.025 549 HD1 PHE 70 HD1 PHE 70 -7.004 8.263 -14.599 550 HD2 PHE 70 HD2 PHE 70 -8.864 4.491 -13.721 551 HE1 PHE 70 HE1 PHE 70 -5.064 7.077 -15.586 552 HE2 PHE 70 HE2 PHE 70 -6.922 3.304 -14.709 553 HZ PHE 70 HZ PHE 70 -5.023 4.597 -15.641 554 H ILE 71 H ILE 71 -9.053 9.781 -11.008 555 HA ILE 71 HA ILE 71 -11.976 9.622 -10.337 556 HB ILE 71 HB ILE 71 -9.753 11.133 -8.936 557 HG12 ILE 71 2HG1 ILE 71 -11.542 8.901 -7.930 558 HG13 ILE 71 3HG1 ILE 71 -9.924 8.627 -8.577 559 HG21 ILE 71 1HG2 ILE 71 -11.746 12.466 -8.832 560 HG22 ILE 71 2HG2 ILE 71 -11.643 11.611 -7.294 561 HG23 ILE 71 3HG2 ILE 71 -12.753 11.047 -8.543 562 HD11 ILE 71 3HD1 ILE 71 -8.980 10.129 -6.863 563 HD12 ILE 71 1HD1 ILE 71 -9.869 8.801 -6.116 564 HD13 ILE 71 2HD1 ILE 71 -10.597 10.404 -6.214 565 H ASN 72 H ASN 72 -13.253 11.289 -10.990 566 HA ASN 72 HA ASN 72 -13.943 13.115 -12.257 567 HB2 ASN 72 2HB ASN 72 -11.259 14.134 -11.289 568 HB3 ASN 72 3HB ASN 72 -12.383 15.119 -12.221 569 HD21 ASN 72 1HD2 ASN 72 -11.694 15.769 -9.495 570 HD22 ASN 72 2HD2 ASN 72 -13.085 15.574 -8.544 571 H GLY 73 H GLY 73 -12.594 10.898 -13.575 572 HA2 GLY 73 2HA GLY 73 -11.958 10.398 -15.774 573 HA3 GLY 73 3HA GLY 73 -12.293 12.080 -16.179 574 H ARG 74 H ARG 74 -10.026 11.389 -13.622 575 HA ARG 74 HA ARG 74 -7.719 11.596 -15.447 576 HB2 ARG 74 2HB ARG 74 -6.804 13.544 -14.088 577 HB3 ARG 74 3HB ARG 74 -8.163 13.933 -15.144 578 HG2 ARG 74 2HG ARG 74 -9.715 13.749 -13.246 579 HG3 ARG 74 3HG ARG 74 -8.378 13.312 -12.181 580 HD2 ARG 74 2HD ARG 74 -8.728 15.652 -11.846 581 HD3 ARG 74 3HD ARG 74 -7.293 15.527 -12.865 582 HE ARG 74 HE ARG 74 -9.793 15.803 -14.366 583 HH11 ARG 74 1HH2 ARG 74 -7.153 17.359 -12.768 584 HH12 ARG 74 2HH2 ARG 74 -7.292 18.821 -13.687 585 HH21 ARG 74 1HH1 ARG 74 -9.982 17.704 -15.565 586 HH22 ARG 74 2HH1 ARG 74 -8.891 19.015 -15.267 587 HA PRO 75 HA PRO 75 -6.013 9.002 -12.262 588 HB2 PRO 75 2HB PRO 75 -3.318 9.454 -12.626 589 HB3 PRO 75 3HB PRO 75 -4.296 8.445 -13.711 590 HG2 PRO 75 2HG PRO 75 -3.422 11.281 -14.045 591 HG3 PRO 75 3HG PRO 75 -3.507 9.979 -15.246 592 HD2 PRO 75 2HD PRO 75 -5.409 11.928 -15.069 593 HD3 PRO 75 3HD PRO 75 -5.784 10.275 -15.604 594 H THR 76 H THR 76 -6.469 9.777 -10.225 595 HA THR 76 HA THR 76 -4.647 11.887 -9.118 596 HB THR 76 HB THR 76 -7.552 11.632 -8.327 597 HG1 THR 76 HG1 THR 76 -6.797 13.672 -10.022 598 HG21 THR 76 3HG2 THR 76 -5.475 13.830 -8.135 599 HG22 THR 76 1HG2 THR 76 -6.126 12.874 -6.804 600 HG23 THR 76 2HG2 THR 76 -7.165 14.009 -7.665 601 H ALA 77 H ALA 77 -5.956 8.746 -8.812 602 HA ALA 77 HA ALA 77 -4.718 8.542 -6.111 603 HB1 ALA 77 3HB ALA 77 -7.575 7.748 -6.735 604 HB2 ALA 77 1HB ALA 77 -7.048 8.990 -5.600 605 HB3 ALA 77 2HB ALA 77 -6.713 7.291 -5.266 606 H ILE 78 H ILE 78 -4.188 6.390 -5.520 607 HA ILE 78 HA ILE 78 -4.345 4.352 -7.715 608 HB ILE 78 HB ILE 78 -1.940 5.062 -6.007 609 HG12 ILE 78 2HG1 ILE 78 -2.272 5.081 -9.020 610 HG13 ILE 78 3HG1 ILE 78 -2.486 6.514 -8.015 611 HG21 ILE 78 1HG2 ILE 78 -2.481 2.783 -7.923 612 HG22 ILE 78 2HG2 ILE 78 -1.964 2.681 -6.240 613 HG23 ILE 78 3HG2 ILE 78 -0.849 3.275 -7.469 614 HD11 ILE 78 3HD1 ILE 78 -0.207 6.502 -8.848 615 HD12 ILE 78 1HD1 ILE 78 0.032 4.850 -8.282 616 HD13 ILE 78 2HD1 ILE 78 -0.170 6.160 -7.118 617 H GLU 79 H GLU 79 -4.144 2.130 -6.876 618 HA GLU 79 HA GLU 79 -4.613 1.842 -3.943 619 HB2 GLU 79 2HB GLU 79 -6.821 1.970 -5.170 620 HB3 GLU 79 3HB GLU 79 -6.353 0.513 -6.044 621 HG2 GLU 79 2HG GLU 79 -6.356 0.618 -3.022 622 HG3 GLU 79 3HG GLU 79 -7.801 0.197 -3.936 623 H ALA 80 H ALA 80 -4.005 -0.199 -3.133 624 HA ALA 80 HA ALA 80 -2.813 -2.141 -5.049 625 HB1 ALA 80 3HB ALA 80 -1.039 -0.553 -4.140 626 HB2 ALA 80 1HB ALA 80 -0.747 -2.266 -3.842 627 HB3 ALA 80 2HB ALA 80 -1.368 -1.238 -2.550 628 H THR 81 H THR 81 -2.987 -4.260 -4.365 629 HA THR 81 HA THR 81 -4.361 -4.719 -1.734 630 HB THR 81 HB THR 81 -4.697 -6.248 -4.326 631 HG1 THR 81 HG1 THR 81 -5.708 -3.998 -3.679 632 HG21 THR 81 3HG2 THR 81 -6.599 -7.287 -2.994 633 HG22 THR 81 1HG2 THR 81 -5.878 -6.554 -1.561 634 HG23 THR 81 2HG2 THR 81 -4.975 -7.750 -2.488 635 H VAL 82 H VAL 82 -3.397 -6.139 -0.393 636 HA VAL 82 HA VAL 82 -1.062 -7.716 -1.436 637 HB VAL 82 HB VAL 82 -1.644 -6.537 1.296 638 HG11 VAL 82 1HG1 VAL 82 -0.682 -8.654 1.776 639 HG12 VAL 82 2HG1 VAL 82 0.677 -7.531 1.809 640 HG13 VAL 82 3HG1 VAL 82 0.415 -8.560 0.400 641 HG21 VAL 82 3HG2 VAL 82 0.663 -6.156 -0.637 642 HG22 VAL 82 1HG2 VAL 82 0.414 -5.292 0.880 643 HG23 VAL 82 2HG2 VAL 82 -0.695 -5.043 -0.469 644 H ILE 83 H ILE 83 -1.191 -9.902 -1.264 645 HA ILE 83 HA ILE 83 -3.624 -11.063 -0.009 646 HB ILE 83 HB ILE 83 -1.508 -12.496 -1.622 647 HG12 ILE 83 2HG1 ILE 83 -2.281 -10.664 -3.003 648 HG13 ILE 83 3HG1 ILE 83 -3.081 -12.132 -3.560 649 HG21 ILE 83 1HG2 ILE 83 -3.260 -14.115 -2.000 650 HG22 ILE 83 2HG2 ILE 83 -4.454 -13.073 -1.227 651 HG23 ILE 83 3HG2 ILE 83 -3.174 -13.809 -0.266 652 HD11 ILE 83 3HD1 ILE 83 -5.003 -11.468 -1.961 653 HD12 ILE 83 1HD1 ILE 83 -4.822 -10.533 -3.445 654 HD13 ILE 83 2HD1 ILE 83 -4.236 -9.881 -1.915 655 H LEU 84 H LEU 84 -3.508 -11.900 1.972 656 HA LEU 84 HA LEU 84 -0.844 -12.610 3.124 657 HB2 LEU 84 2HB LEU 84 -3.535 -12.240 4.484 658 HB3 LEU 84 3HB LEU 84 -1.979 -12.456 5.289 659 HG LEU 84 HG LEU 84 -2.666 -10.154 3.433 660 HD11 LEU 84 1HD1 LEU 84 -2.538 -8.818 5.572 661 HD12 LEU 84 2HD1 LEU 84 -2.511 -10.344 6.453 662 HD13 LEU 84 3HD1 LEU 84 -3.919 -9.912 5.482 663 HD21 LEU 84 3HD2 LEU 84 -0.513 -9.253 4.643 664 HD22 LEU 84 1HD2 LEU 84 -0.330 -10.387 3.308 665 HD23 LEU 84 2HD2 LEU 84 -0.198 -10.956 4.972 666 H ASN 85 H ASN 85 -0.852 -14.608 1.820 667 HA ASN 85 HA ASN 85 -2.877 -16.645 2.472 668 HB2 ASN 85 2HB ASN 85 -0.425 -16.630 0.702 669 HB3 ASN 85 3HB ASN 85 -1.404 -18.071 0.961 670 HD21 ASN 85 1HD2 ASN 85 -3.977 -16.591 1.088 671 HD22 ASN 85 2HD2 ASN 85 -4.306 -16.076 -0.495 672 H SER 86 H SER 86 -0.071 -15.530 3.928 673 HA SER 86 HA SER 86 0.475 -18.204 5.193 674 HB2 SER 86 2HB SER 86 2.504 -17.606 4.198 675 HB3 SER 86 3HB SER 86 2.264 -15.889 4.498 676 HG SER 86 HG SER 86 3.182 -17.913 6.183 677 H GLN 87 H GLN 87 0.206 -18.366 7.335 678 HA GLN 87 HA GLN 87 -1.225 -16.434 8.836 679 HB2 GLN 87 2HB GLN 87 0.138 -19.016 9.365 680 HB3 GLN 87 3HB GLN 87 -0.026 -17.982 10.783 681 HG2 GLN 87 2HG GLN 87 -1.968 -19.505 10.516 682 HG3 GLN 87 3HG GLN 87 -2.445 -17.811 10.396 683 HE21 GLN 87 1HE2 GLN 87 -3.569 -17.211 8.525 684 HE22 GLN 87 2HE2 GLN 87 -3.688 -18.165 7.126 685 HA PRO 88 HA PRO 88 2.954 -15.442 11.207 686 HB2 PRO 88 2HB PRO 88 5.129 -15.781 9.360 687 HB3 PRO 88 3HB PRO 88 4.829 -16.701 10.844 688 HG2 PRO 88 2HG PRO 88 4.240 -17.419 8.038 689 HG3 PRO 88 3HG PRO 88 4.539 -18.467 9.433 690 HD2 PRO 88 2HD PRO 88 2.072 -18.155 8.354 691 HD3 PRO 88 3HD PRO 88 2.309 -18.464 10.083 692 H GLU 89 H GLU 89 2.199 -14.907 7.858 693 HA GLU 89 HA GLU 89 3.645 -12.463 7.465 694 HB2 GLU 89 2HB GLU 89 2.519 -13.931 5.707 695 HB3 GLU 89 3HB GLU 89 0.996 -13.191 6.197 696 HG2 GLU 89 2HG GLU 89 1.819 -11.927 4.329 697 HG3 GLU 89 3HG GLU 89 2.079 -10.940 5.768 698 H TRP 90 H TRP 90 0.417 -13.174 8.757 699 HA TRP 90 HA TRP 90 -0.565 -10.512 8.896 700 HB2 TRP 90 2HB TRP 90 -1.156 -13.101 10.270 701 HB3 TRP 90 3HB TRP 90 -1.740 -11.651 11.083 702 HD1 TRP 90 HD1 TRP 90 -2.482 -13.943 8.229 703 HE1 TRP 90 HE1 TRP 90 -4.528 -13.070 6.921 704 HE3 TRP 90 HE3 TRP 90 -2.932 -9.304 10.301 705 HZ2 TRP 90 HZ2 TRP 90 -6.143 -10.701 6.778 706 HZ3 TRP 90 HZ3 TRP 90 -4.726 -7.761 9.567 707 HH2 TRP 90 HH2 TRP 90 -6.331 -8.453 7.809 708 H ASP 91 H ASP 91 1.519 -12.323 11.122 709 HA ASP 91 HA ASP 91 1.492 -10.453 13.263 710 HB2 ASP 91 2HB ASP 91 2.463 -12.701 13.468 711 HB3 ASP 91 3HB ASP 91 3.733 -12.269 12.322 712 H ARG 92 H ARG 92 3.591 -10.681 10.399 713 HA ARG 92 HA ARG 92 5.209 -8.404 11.070 714 HB2 ARG 92 2HB ARG 92 4.587 -9.709 8.404 715 HB3 ARG 92 3HB ARG 92 5.824 -8.476 8.634 716 HG2 ARG 92 2HG ARG 92 5.827 -10.995 10.296 717 HG3 ARG 92 3HG ARG 92 6.547 -10.973 8.689 718 HD2 ARG 92 2HD ARG 92 7.963 -9.033 9.404 719 HD3 ARG 92 3HD ARG 92 7.315 -9.207 11.032 720 HE ARG 92 HE ARG 92 8.547 -11.628 9.892 721 HH11 ARG 92 1HH2 ARG 92 8.816 -8.795 11.856 722 HH12 ARG 92 2HH2 ARG 92 10.170 -9.391 12.754 723 HH21 ARG 92 1HH1 ARG 92 10.319 -12.409 11.056 724 HH22 ARG 92 2HH1 ARG 92 11.021 -11.430 12.302 725 H PHE 93 H PHE 93 2.267 -8.794 9.120 726 HA PHE 93 HA PHE 93 2.166 -6.136 8.107 727 HB2 PHE 93 2HB PHE 93 0.745 -8.097 7.371 728 HB3 PHE 93 3HB PHE 93 -0.216 -7.856 8.831 729 HD1 PHE 93 HD2 PHE 93 -1.570 -5.823 9.132 730 HD2 PHE 93 HD1 PHE 93 0.683 -6.511 5.539 731 HE1 PHE 93 HE2 PHE 93 -2.844 -4.030 7.990 732 HE2 PHE 93 HE1 PHE 93 -0.592 -4.717 4.397 733 HZ PHE 93 HZ PHE 93 -2.356 -3.476 5.622 734 H MET 94 H MET 94 0.642 -7.544 11.011 735 HA MET 94 HA MET 94 -0.464 -5.037 11.905 736 HB2 MET 94 2HB MET 94 0.163 -7.613 13.379 737 HB3 MET 94 3HB MET 94 -0.706 -6.257 14.096 738 HG2 MET 94 2HG MET 94 -2.444 -6.427 12.371 739 HG3 MET 94 3HG MET 94 -1.561 -7.742 11.595 740 HE1 MET 94 3HE MET 94 -3.198 -6.332 14.572 741 HE2 MET 94 1HE MET 94 -2.142 -7.239 15.664 742 HE3 MET 94 2HE MET 94 -3.845 -7.667 15.521 743 H ARG 95 H ARG 95 2.534 -6.799 12.646 744 HA ARG 95 HA ARG 95 3.458 -5.049 14.706 745 HB2 ARG 95 2HB ARG 95 4.414 -7.300 14.228 746 HB3 ARG 95 3HB ARG 95 5.094 -6.670 12.729 747 HG2 ARG 95 2HG ARG 95 6.408 -5.024 14.009 748 HG3 ARG 95 3HG ARG 95 5.732 -5.649 15.512 749 HD2 ARG 95 2HD ARG 95 7.331 -7.296 13.531 750 HD3 ARG 95 3HD ARG 95 7.997 -6.580 14.999 751 HE ARG 95 HE ARG 95 6.247 -8.931 14.864 752 HH11 ARG 95 1HH2 ARG 95 7.508 -6.317 16.736 753 HH12 ARG 95 2HH2 ARG 95 7.264 -7.116 18.253 754 HH21 ARG 95 1HH1 ARG 95 5.928 -9.984 16.833 755 HH22 ARG 95 2HH1 ARG 95 6.371 -9.190 18.308 756 H PHE 96 H PHE 96 4.170 -5.107 11.211 757 HA PHE 96 HA PHE 96 5.801 -2.741 11.235 758 HB2 PHE 96 2HB PHE 96 4.332 -4.296 9.108 759 HB3 PHE 96 3HB PHE 96 5.076 -2.747 8.708 760 HD1 PHE 96 HD1 PHE 96 6.098 -5.668 10.873 761 HD2 PHE 96 HD2 PHE 96 7.127 -3.039 7.632 762 HE1 PHE 96 HE1 PHE 96 8.305 -6.765 10.687 763 HE2 PHE 96 HE2 PHE 96 9.333 -4.145 7.447 764 HZ PHE 96 HZ PHE 96 9.926 -6.004 8.973 765 H MET 97 H MET 97 2.360 -3.309 10.624 766 HA MET 97 HA MET 97 1.702 -0.609 9.943 767 HB2 MET 97 2HB MET 97 0.236 -2.589 9.511 768 HB3 MET 97 3HB MET 97 -0.067 -2.706 11.242 769 HG2 MET 97 2HG MET 97 -1.901 -1.483 10.220 770 HG3 MET 97 3HG MET 97 -0.955 -0.360 11.191 771 HE1 MET 97 3HE MET 97 -1.340 -0.776 6.697 772 HE2 MET 97 1HE MET 97 -1.630 -1.969 7.967 773 HE3 MET 97 2HE MET 97 -0.000 -1.714 7.350 774 H GLU 98 H GLU 98 1.987 -2.320 13.019 775 HA GLU 98 HA GLU 98 0.715 -0.378 14.668 776 HB2 GLU 98 2HB GLU 98 1.383 -2.667 15.414 777 HB3 GLU 98 3HB GLU 98 3.068 -2.151 15.384 778 HG2 GLU 98 2HG GLU 98 2.606 -0.424 17.053 779 HG3 GLU 98 3HG GLU 98 0.893 -0.849 17.047 780 H ARG 99 H ARG 99 4.221 -0.787 13.988 781 HA ARG 99 HA ARG 99 4.978 1.630 15.341 782 HB2 ARG 99 2HB ARG 99 6.332 -0.004 13.181 783 HB3 ARG 99 3HB ARG 99 7.093 1.389 13.948 784 HG2 ARG 99 2HG ARG 99 6.729 0.288 16.176 785 HG3 ARG 99 3HG ARG 99 6.147 -1.143 15.323 786 HD2 ARG 99 2HD ARG 99 8.874 0.109 14.894 787 HD3 ARG 99 3HD ARG 99 8.577 -1.283 15.931 788 HE ARG 99 HE ARG 99 8.540 -1.274 12.985 789 HH11 ARG 99 1HH2 ARG 99 7.745 -2.854 15.955 790 HH12 ARG 99 2HH2 ARG 99 7.628 -4.424 15.234 791 HH21 ARG 99 1HH1 ARG 99 8.391 -3.315 12.039 792 HH22 ARG 99 2HH1 ARG 99 7.991 -4.686 13.022 793 H TYR 100 H TYR 100 4.421 0.930 11.891 794 HA TYR 100 HA TYR 100 4.974 3.563 10.933 795 HB2 TYR 100 2HB TYR 100 4.840 1.634 9.431 796 HB3 TYR 100 3HB TYR 100 3.139 1.415 9.829 797 HD1 TYR 100 HD1 TYR 100 5.587 3.669 8.193 798 HD2 TYR 100 HD2 TYR 100 1.434 2.782 8.836 799 HE1 TYR 100 HE1 TYR 100 4.968 5.280 6.412 800 HE2 TYR 100 HE2 TYR 100 0.815 4.394 7.054 801 HH TYR 100 HH TYR 100 2.173 5.335 4.879 802 H GLY 101 H GLY 101 1.944 1.996 11.921 803 HA2 GLY 101 2HA GLY 101 0.239 4.212 11.353 804 HA3 GLY 101 3HA GLY 101 -0.139 2.901 12.469 805 H ALA 102 H ALA 102 2.187 3.374 14.169 806 HA ALA 102 HA ALA 102 1.041 5.230 16.007 807 HB1 ALA 102 3HB ALA 102 3.240 5.059 17.178 808 HB2 ALA 102 1HB ALA 102 3.882 4.191 15.784 809 HB3 ALA 102 2HB ALA 102 2.581 3.482 16.741 810 H GLU 103 H GLU 103 3.660 5.581 13.620 811 HA GLU 103 HA GLU 103 4.262 8.311 14.367 812 HB2 GLU 103 2HB GLU 103 4.813 6.757 11.821 813 HB3 GLU 103 3HB GLU 103 5.469 8.358 12.169 814 HG2 GLU 103 2HG GLU 103 5.893 5.918 13.921 815 HG3 GLU 103 3HG GLU 103 7.057 6.505 12.734 816 H ASN 104 H ASN 104 2.565 6.965 11.505 817 HA ASN 104 HA ASN 104 0.606 9.151 11.590 818 HB2 ASN 104 2HB ASN 104 2.498 8.892 9.241 819 HB3 ASN 104 3HB ASN 104 1.142 10.010 9.359 820 HD21 ASN 104 1HD2 ASN 104 1.287 11.367 11.582 821 HD22 ASN 104 2HD2 ASN 104 2.818 12.022 11.902 822 H GLY 105 H GLY 105 0.093 8.796 8.680 823 HA2 GLY 105 2HA GLY 105 -0.951 7.329 7.190 824 HA3 GLY 105 3HA GLY 105 -0.434 5.991 8.214 825 H LEU 106 H LEU 106 -2.576 5.154 7.821 826 HA LEU 106 HA LEU 106 -4.775 4.683 8.457 827 HB2 LEU 106 2HB LEU 106 -3.748 6.130 10.906 828 HB3 LEU 106 3HB LEU 106 -5.355 5.414 10.828 829 HG LEU 106 HG LEU 106 -4.323 3.226 10.257 830 HD11 LEU 106 1HD1 LEU 106 -1.808 4.890 10.470 831 HD12 LEU 106 2HD1 LEU 106 -2.261 3.708 9.239 832 HD13 LEU 106 3HD1 LEU 106 -1.768 3.161 10.835 833 HD21 LEU 106 3HD2 LEU 106 -4.836 3.902 12.621 834 HD22 LEU 106 1HD2 LEU 106 -3.169 4.457 12.781 835 HD23 LEU 106 2HD2 LEU 106 -3.508 2.748 12.502 836 H GLY 107 H GLY 107 -4.952 7.569 10.382 837 HA2 GLY 107 2HA GLY 107 -5.876 9.714 9.811 838 HA3 GLY 107 3HA GLY 107 -6.320 9.080 8.221 839 H PHE 108 H PHE 108 -7.159 6.706 10.308 840 HA PHE 108 HA PHE 108 -9.999 7.607 10.361 841 HB2 PHE 108 2HB PHE 108 -8.714 4.892 10.754 842 HB3 PHE 108 3HB PHE 108 -10.444 5.197 10.911 843 HD1 PHE 108 HD2 PHE 108 -11.569 6.467 8.899 844 HD2 PHE 108 HD1 PHE 108 -7.855 4.323 8.640 845 HE1 PHE 108 HE2 PHE 108 -11.841 6.291 6.441 846 HE2 PHE 108 HE1 PHE 108 -8.127 4.148 6.183 847 HZ PHE 108 HZ PHE 108 -10.120 5.132 5.083 848 H SER 109 H SER 109 -11.191 7.647 12.281 849 HA SER 109 HA SER 109 -9.568 7.754 14.787 850 HB2 SER 109 2HB SER 109 -11.433 9.098 15.665 851 HB3 SER 109 3HB SER 109 -10.834 9.784 14.157 852 HG SER 109 HG SER 109 -12.574 8.959 13.095 853 H LYS 110 H LYS 110 -11.611 5.671 13.148 854 HA LYS 110 HA LYS 110 -11.844 3.840 15.352 855 HB2 LYS 110 2HB LYS 110 -14.315 3.903 15.619 856 HB3 LYS 110 3HB LYS 110 -13.569 5.412 16.136 857 HG2 LYS 110 2HG LYS 110 -14.094 6.428 13.945 858 HG3 LYS 110 3HG LYS 110 -14.860 4.926 13.428 859 HD2 LYS 110 2HD LYS 110 -15.785 6.213 15.989 860 HD3 LYS 110 3HD LYS 110 -16.321 6.891 14.454 861 HE2 LYS 110 2HE LYS 110 -16.640 3.986 15.272 862 HE3 LYS 110 3HE LYS 110 -17.919 5.201 15.316 863 HZ1 LYS 110 3HZ LYS 110 -16.474 4.196 12.930 864 HZ2 LYS 110 1HZ LYS 110 -17.498 5.546 12.900 865 HZ3 LYS 110 2HZ LYS 110 -18.125 4.016 13.290 866 H SER 111 H SER 111 -12.900 4.925 12.188 867 HA SER 111 HA SER 111 -14.299 2.760 11.178 868 HB2 SER 111 2HB SER 111 -12.036 4.042 9.636 869 HB3 SER 111 3HB SER 111 -13.555 3.406 9.008 870 HG SER 111 HG SER 111 -12.983 5.822 10.236 871 H GLU 112 H GLU 112 -13.839 0.677 10.618 872 HA GLU 112 HA GLU 112 -12.698 -1.352 10.524 873 HB2 GLU 112 2HB GLU 112 -10.424 0.505 9.773 874 HB3 GLU 112 3HB GLU 112 -10.323 -1.252 9.705 875 HG2 GLU 112 2HG GLU 112 -12.174 -1.333 8.118 876 HG3 GLU 112 3HG GLU 112 -12.382 0.415 8.236 877 H LEU 113 H LEU 113 -10.205 0.831 11.889 878 HA LEU 113 HA LEU 113 -9.686 -1.142 14.019 879 HB2 LEU 113 2HB LEU 113 -8.010 0.763 14.695 880 HB3 LEU 113 3HB LEU 113 -7.685 -0.201 13.256 881 HG LEU 113 HG LEU 113 -9.382 2.238 12.853 882 HD11 LEU 113 1HD1 LEU 113 -6.419 2.357 13.451 883 HD12 LEU 113 2HD1 LEU 113 -7.718 3.159 14.336 884 HD13 LEU 113 3HD1 LEU 113 -7.332 3.661 12.689 885 HD21 LEU 113 3HD2 LEU 113 -8.514 0.536 11.088 886 HD22 LEU 113 1HD2 LEU 113 -6.962 1.351 11.273 887 HD23 LEU 113 2HD2 LEU 113 -8.372 2.254 10.719 888 H GLU 114 H GLU 114 -10.915 -1.085 15.802 889 HA GLU 114 HA GLU 114 -11.284 1.289 17.380 890 HB2 GLU 114 2HB GLU 114 -13.895 1.047 17.239 891 HB3 GLU 114 3HB GLU 114 -13.053 1.968 15.995 892 HG2 GLU 114 2HG GLU 114 -13.043 0.029 14.507 893 HG3 GLU 114 3HG GLU 114 -13.812 -0.955 15.757 894 H HIS 115 H HIS 115 -11.800 -2.055 16.674 895 HA HIS 115 HA HIS 115 -12.407 -3.889 18.026 896 HB2 HIS 115 2HB HIS 115 -10.069 -3.325 18.718 897 HB3 HIS 115 3HB HIS 115 -10.731 -2.328 20.012 898 HD1 HIS 115 HD1 HIS 115 -11.702 -3.521 22.067 899 HD2 HIS 115 HD2 HIS 115 -10.499 -6.158 19.070 900 HE1 HIS 115 HE1 HIS 115 -11.772 -5.841 23.082 901 H HIS 116 H HIS 116 -12.141 -2.666 21.097 902 HA HIS 116 HA HIS 116 -14.854 -1.577 21.349 903 HB2 HIS 116 2HB HIS 116 -14.107 -4.267 22.533 904 HB3 HIS 116 3HB HIS 116 -15.539 -3.347 22.991 905 HD1 HIS 116 HD1 HIS 116 -17.188 -2.741 20.885 906 HD2 HIS 116 HD2 HIS 116 -14.506 -5.882 20.318 907 HE1 HIS 116 HE1 HIS 116 -18.048 -4.068 18.906 908 H HIS 117 H HIS 117 -12.136 -3.043 23.144 909 HA HIS 117 HA HIS 117 -11.994 -0.583 24.815 910 HB2 HIS 117 2HB HIS 117 -12.133 -3.403 25.931 911 HB3 HIS 117 3HB HIS 117 -11.831 -1.942 26.872 912 HD1 HIS 117 HD1 HIS 117 -13.816 -0.059 26.671 913 HD2 HIS 117 HD2 HIS 117 -14.833 -3.958 25.603 914 HE1 HIS 117 HE1 HIS 117 -16.346 -0.170 26.687 915 H HIS 118 H HIS 118 -10.257 -0.993 22.842 916 HA HIS 118 HA HIS 118 -7.951 -2.595 23.580 917 HB2 HIS 118 2HB HIS 118 -8.552 -1.940 21.225 918 HB3 HIS 118 3HB HIS 118 -8.109 -0.282 21.622 919 HD1 HIS 118 HD1 HIS 118 -6.491 -3.738 21.885 920 HD2 HIS 118 HD2 HIS 118 -5.459 0.218 21.071 921 HE1 HIS 118 HE1 HIS 118 -4.018 -3.741 21.336 922 H HIS 119 H HIS 119 -9.039 0.659 24.212 923 HA HIS 119 HA HIS 119 -6.492 1.789 24.918 924 HB2 HIS 119 2HB HIS 119 -8.321 3.269 24.420 925 HB3 HIS 119 3HB HIS 119 -9.333 2.531 25.661 926 HD1 HIS 119 HD1 HIS 119 -8.912 3.210 28.111 927 HD2 HIS 119 HD2 HIS 119 -6.283 5.019 25.427 928 HE1 HIS 119 HE1 HIS 119 -7.687 5.007 29.409 929 H HIS 120 H HIS 120 -5.330 1.611 26.756 930 HA HIS 120 HA HIS 120 -6.207 -0.247 28.841 931 HB2 HIS 120 2HB HIS 120 -3.972 0.128 29.786 932 HB3 HIS 120 3HB HIS 120 -3.854 -0.183 28.055 933 HD1 HIS 120 HD1 HIS 120 -3.676 2.066 26.515 934 HD2 HIS 120 HD2 HIS 120 -2.836 2.537 30.571 935 HE1 HIS 120 HE1 HIS 120 -2.415 4.251 26.737 Start of MODEL 14 1 H1 MET 1 1H MET 1 11.229 3.090 11.363 2 H2 MET 1 2H MET 1 11.117 1.500 10.772 3 H3 MET 1 3H MET 1 9.759 2.519 10.737 4 HA MET 1 HA MET 1 11.344 4.021 9.306 5 HB2 MET 1 2HB MET 1 12.339 1.173 8.965 6 HB3 MET 1 3HB MET 1 12.662 2.465 7.808 7 HG2 MET 1 2HG MET 1 13.790 3.776 9.540 8 HG3 MET 1 3HG MET 1 13.402 2.552 10.747 9 HE1 MET 1 3HE MET 1 14.896 3.436 7.516 10 HE2 MET 1 1HE MET 1 14.727 1.788 6.896 11 HE3 MET 1 2HE MET 1 16.322 2.429 7.278 12 H ALA 2 H ALA 2 8.847 2.157 9.836 13 HA ALA 2 HA ALA 2 7.915 0.927 7.537 14 HB1 ALA 2 3HB ALA 2 6.549 0.921 9.504 15 HB2 ALA 2 1HB ALA 2 5.615 1.737 8.250 16 HB3 ALA 2 2HB ALA 2 6.427 2.680 9.499 17 H GLU 3 H GLU 3 7.943 1.628 5.488 18 HA GLU 3 HA GLU 3 6.792 4.261 4.842 19 HB2 GLU 3 2HB GLU 3 8.752 4.990 3.543 20 HB3 GLU 3 3HB GLU 3 9.165 4.785 5.244 21 HG2 GLU 3 2HG GLU 3 10.071 2.530 4.737 22 HG3 GLU 3 3HG GLU 3 9.704 2.780 3.031 23 H ILE 4 H ILE 4 6.122 4.414 2.690 24 HA ILE 4 HA ILE 4 6.103 1.830 1.174 25 HB ILE 4 HB ILE 4 4.165 4.157 1.112 26 HG12 ILE 4 2HG1 ILE 4 2.692 2.010 1.897 27 HG13 ILE 4 3HG1 ILE 4 4.250 1.528 2.565 28 HG21 ILE 4 1HG2 ILE 4 4.102 3.275 -1.061 29 HG22 ILE 4 2HG2 ILE 4 2.837 2.368 -0.237 30 HG23 ILE 4 3HG2 ILE 4 4.412 1.627 -0.510 31 HD11 ILE 4 3HD1 ILE 4 4.399 3.647 3.795 32 HD12 ILE 4 1HD1 ILE 4 2.894 2.818 4.191 33 HD13 ILE 4 2HD1 ILE 4 2.880 4.184 3.079 34 H GLN 5 H GLN 5 7.048 1.787 -0.764 35 HA GLN 5 HA GLN 5 7.659 4.370 -2.157 36 HB2 GLN 5 2HB GLN 5 9.476 1.981 -1.743 37 HB3 GLN 5 3HB GLN 5 9.823 3.301 -2.864 38 HG2 GLN 5 2HG GLN 5 9.732 4.918 -1.011 39 HG3 GLN 5 3HG GLN 5 9.346 3.621 0.117 40 HE21 GLN 5 1HE2 GLN 5 11.549 4.803 0.945 41 HE22 GLN 5 2HE2 GLN 5 12.970 4.004 0.475 42 H PHE 6 H PHE 6 6.983 4.391 -4.207 43 HA PHE 6 HA PHE 6 5.831 1.947 -5.398 44 HB2 PHE 6 2HB PHE 6 5.891 4.864 -6.208 45 HB3 PHE 6 3HB PHE 6 5.216 3.612 -7.247 46 HD1 PHE 6 HD1 PHE 6 3.347 2.144 -6.331 47 HD2 PHE 6 HD2 PHE 6 4.631 5.758 -4.400 48 HE1 PHE 6 HE1 PHE 6 1.219 2.222 -5.065 49 HE2 PHE 6 HE2 PHE 6 2.503 5.836 -3.130 50 HZ PHE 6 HZ PHE 6 0.796 4.067 -3.462 51 H SER 7 H SER 7 8.831 3.430 -5.298 52 HA SER 7 HA SER 7 9.799 1.800 -7.538 53 HB2 SER 7 2HB SER 7 10.155 4.805 -7.636 54 HB3 SER 7 3HB SER 7 10.790 3.638 -8.790 55 HG SER 7 HG SER 7 8.469 3.007 -8.993 56 H LYS 8 H LYS 8 12.293 2.820 -7.872 57 HA LYS 8 HA LYS 8 13.606 2.042 -5.406 58 HB2 LYS 8 2HB LYS 8 14.675 3.136 -8.016 59 HB3 LYS 8 3HB LYS 8 15.700 2.583 -6.692 60 HG2 LYS 8 2HG LYS 8 14.661 0.348 -6.814 61 HG3 LYS 8 3HG LYS 8 13.623 0.898 -8.128 62 HD2 LYS 8 2HD LYS 8 15.650 1.397 -9.488 63 HD3 LYS 8 3HD LYS 8 16.654 0.763 -8.185 64 HE2 LYS 8 2HE LYS 8 14.492 -0.833 -9.589 65 HE3 LYS 8 3HE LYS 8 16.204 -0.910 -10.004 66 HZ1 LYS 8 3HZ LYS 8 16.715 -1.689 -7.820 67 HZ2 LYS 8 1HZ LYS 8 15.483 -2.667 -8.451 68 HZ3 LYS 8 2HZ LYS 8 15.113 -1.473 -7.301 69 H GLY 9 H GLY 9 14.448 3.280 -3.846 70 HA2 GLY 9 2HA GLY 9 14.680 5.209 -2.519 71 HA3 GLY 9 3HA GLY 9 15.620 5.770 -3.900 72 H VAL 10 H VAL 10 12.251 5.516 -2.784 73 HA VAL 10 HA VAL 10 11.600 7.992 -4.345 74 HB VAL 10 HB VAL 10 9.787 5.879 -3.144 75 HG11 VAL 10 1HG1 VAL 10 8.684 8.045 -3.151 76 HG12 VAL 10 2HG1 VAL 10 8.034 7.089 -4.482 77 HG13 VAL 10 3HG1 VAL 10 9.220 8.355 -4.801 78 HG21 VAL 10 3HG2 VAL 10 9.422 5.149 -5.403 79 HG22 VAL 10 1HG2 VAL 10 11.169 5.254 -5.188 80 HG23 VAL 10 2HG2 VAL 10 10.310 6.527 -6.055 81 H ALA 11 H ALA 11 11.068 6.401 -1.201 82 HA ALA 11 HA ALA 11 10.691 7.290 0.927 83 HB1 ALA 11 3HB ALA 11 12.028 9.785 -0.174 84 HB2 ALA 11 1HB ALA 11 12.902 8.372 0.416 85 HB3 ALA 11 2HB ALA 11 11.893 9.305 1.517 86 H GLU 12 H GLU 12 8.427 7.258 0.490 87 HA GLU 12 HA GLU 12 7.107 9.683 -0.497 88 HB2 GLU 12 2HB GLU 12 6.062 7.060 0.602 89 HB3 GLU 12 3HB GLU 12 5.015 8.360 0.034 90 HG2 GLU 12 2HG GLU 12 7.182 7.074 -1.650 91 HG3 GLU 12 3HG GLU 12 5.483 6.607 -1.708 92 H THR 13 H THR 13 6.556 11.333 0.755 93 HA THR 13 HA THR 13 6.629 11.039 3.714 94 HB THR 13 HB THR 13 6.328 13.562 2.059 95 HG1 THR 13 HG1 THR 13 8.289 12.250 1.710 96 HG21 THR 13 3HG2 THR 13 7.264 14.598 4.137 97 HG22 THR 13 1HG2 THR 13 7.161 13.022 4.919 98 HG23 THR 13 2HG2 THR 13 5.692 13.840 4.388 99 H VAL 14 H VAL 14 4.425 11.190 1.103 100 HA VAL 14 HA VAL 14 2.195 12.536 2.207 101 HB VAL 14 HB VAL 14 2.304 10.141 0.356 102 HG11 VAL 14 1HG1 VAL 14 -0.076 10.904 -0.221 103 HG12 VAL 14 2HG1 VAL 14 -0.037 11.823 1.285 104 HG13 VAL 14 3HG1 VAL 14 0.114 10.065 1.319 105 HG21 VAL 14 3HG2 VAL 14 1.631 11.971 -1.291 106 HG22 VAL 14 1HG2 VAL 14 3.269 12.090 -0.654 107 HG23 VAL 14 2HG2 VAL 14 1.996 13.131 -0.019 108 H VAL 15 H VAL 15 0.245 11.628 3.168 109 HA VAL 15 HA VAL 15 0.848 9.372 5.041 110 HB VAL 15 HB VAL 15 -1.232 11.533 5.403 111 HG11 VAL 15 1HG1 VAL 15 0.143 9.619 7.316 112 HG12 VAL 15 2HG1 VAL 15 -1.491 9.416 6.686 113 HG13 VAL 15 3HG1 VAL 15 -1.118 10.778 7.743 114 HG21 VAL 15 3HG2 VAL 15 0.958 12.608 5.284 115 HG22 VAL 15 1HG2 VAL 15 1.651 11.386 6.351 116 HG23 VAL 15 2HG2 VAL 15 0.463 12.531 6.975 117 HA PRO 16 HA PRO 16 -2.520 7.925 2.174 118 HB2 PRO 16 2HB PRO 16 -1.604 5.362 1.887 119 HB3 PRO 16 3HB PRO 16 -1.009 6.719 0.913 120 HG2 PRO 16 2HG PRO 16 0.224 5.436 3.302 121 HG3 PRO 16 3HG PRO 16 0.987 5.989 1.802 122 HD2 PRO 16 2HD PRO 16 1.054 7.430 4.115 123 HD3 PRO 16 3HD PRO 16 1.098 8.198 2.515 124 H GLU 17 H GLU 17 -4.329 6.664 2.672 125 HA GLU 17 HA GLU 17 -4.613 5.952 5.508 126 HB2 GLU 17 2HB GLU 17 -6.432 7.126 4.369 127 HB3 GLU 17 3HB GLU 17 -6.575 5.813 3.202 128 HG2 GLU 17 2HG GLU 17 -6.790 5.221 6.150 129 HG3 GLU 17 3HG GLU 17 -8.180 5.872 5.291 130 H VAL 18 H VAL 18 -5.326 3.853 6.217 131 HA VAL 18 HA VAL 18 -4.495 1.617 4.391 132 HB VAL 18 HB VAL 18 -4.247 1.922 7.393 133 HG11 VAL 18 1HG1 VAL 18 -4.913 -0.341 7.095 134 HG12 VAL 18 2HG1 VAL 18 -3.152 -0.405 7.154 135 HG13 VAL 18 3HG1 VAL 18 -3.988 -0.503 5.605 136 HG21 VAL 18 3HG2 VAL 18 -1.863 1.658 6.935 137 HG22 VAL 18 1HG2 VAL 18 -2.500 2.964 5.932 138 HG23 VAL 18 2HG2 VAL 18 -2.194 1.377 5.226 139 H ARG 19 H ARG 19 -6.014 0.157 3.946 140 HA ARG 19 HA ARG 19 -8.411 -0.076 5.731 141 HB2 ARG 19 2HB ARG 19 -8.952 1.197 3.657 142 HB3 ARG 19 3HB ARG 19 -8.412 -0.185 2.701 143 HG2 ARG 19 2HG ARG 19 -10.116 -1.605 3.787 144 HG3 ARG 19 3HG ARG 19 -10.651 -0.228 4.748 145 HD2 ARG 19 2HD ARG 19 -10.661 -0.279 1.717 146 HD3 ARG 19 3HD ARG 19 -12.066 -0.650 2.717 147 HE ARG 19 HE ARG 19 -11.138 1.855 3.588 148 HH11 ARG 19 1HH2 ARG 19 -12.320 0.377 0.699 149 HH12 ARG 19 2HH2 ARG 19 -13.007 1.841 0.081 150 HH21 ARG 19 1HH1 ARG 19 -12.030 3.762 2.793 151 HH22 ARG 19 2HH1 ARG 19 -12.842 3.754 1.263 152 H LEU 20 H LEU 20 -9.012 -2.148 6.172 153 HA LEU 20 HA LEU 20 -7.314 -4.334 5.065 154 HB2 LEU 20 2HB LEU 20 -9.156 -4.314 7.472 155 HB3 LEU 20 3HB LEU 20 -8.091 -5.637 7.002 156 HG LEU 20 HG LEU 20 -7.173 -2.837 7.735 157 HD11 LEU 20 1HD1 LEU 20 -7.182 -5.454 9.259 158 HD12 LEU 20 2HD1 LEU 20 -7.944 -3.936 9.732 159 HD13 LEU 20 3HD1 LEU 20 -6.187 -4.076 9.724 160 HD21 LEU 20 3HD2 LEU 20 -5.762 -5.334 6.797 161 HD22 LEU 20 1HD2 LEU 20 -4.926 -4.207 7.863 162 HD23 LEU 20 2HD2 LEU 20 -5.508 -3.663 6.293 163 H SER 21 H SER 21 -8.181 -5.828 3.735 164 HA SER 21 HA SER 21 -11.134 -5.752 3.247 165 HB2 SER 21 2HB SER 21 -8.790 -6.536 1.514 166 HB3 SER 21 3HB SER 21 -10.454 -6.929 1.086 167 HG SER 21 HG SER 21 -9.952 -4.316 1.875 168 H LYS 22 H LYS 22 -12.275 -7.718 3.148 169 HA LYS 22 HA LYS 22 -10.822 -10.182 4.022 170 HB2 LYS 22 2HB LYS 22 -11.929 -9.077 5.983 171 HB3 LYS 22 3HB LYS 22 -13.477 -9.257 5.156 172 HG2 LYS 22 2HG LYS 22 -13.199 -11.685 5.096 173 HG3 LYS 22 3HG LYS 22 -11.604 -11.543 5.835 174 HD2 LYS 22 2HD LYS 22 -12.636 -10.531 7.846 175 HD3 LYS 22 3HD LYS 22 -14.228 -10.717 7.108 176 HE2 LYS 22 2HE LYS 22 -13.925 -13.154 7.019 177 HE3 LYS 22 3HE LYS 22 -12.310 -12.988 7.711 178 HZ1 LYS 22 3HZ LYS 22 -13.335 -11.955 9.672 179 HZ2 LYS 22 1HZ LYS 22 -13.871 -13.546 9.429 180 HZ3 LYS 22 2HZ LYS 22 -14.874 -12.239 9.011 181 H SER 23 H SER 23 -11.579 -12.048 3.105 182 HA SER 23 HA SER 23 -13.212 -11.840 0.723 183 HB2 SER 23 2HB SER 23 -12.969 -14.353 0.715 184 HB3 SER 23 3HB SER 23 -11.441 -13.481 0.795 185 HG SER 23 HG SER 23 -12.055 -13.730 3.250 186 H LYS 24 H LYS 24 -14.258 -11.374 3.625 187 HA LYS 24 HA LYS 24 -16.323 -11.539 4.680 188 HB2 LYS 24 2HB LYS 24 -17.125 -11.098 2.331 189 HB3 LYS 24 3HB LYS 24 -17.328 -12.837 2.135 190 HG2 LYS 24 2HG LYS 24 -18.778 -12.816 4.198 191 HG3 LYS 24 3HG LYS 24 -18.704 -11.055 4.158 192 HD2 LYS 24 2HD LYS 24 -19.658 -12.745 1.829 193 HD3 LYS 24 3HD LYS 24 -20.741 -12.041 3.026 194 HE2 LYS 24 2HE LYS 24 -19.652 -9.782 2.448 195 HE3 LYS 24 3HE LYS 24 -18.962 -10.603 1.048 196 HZ1 LYS 24 3HZ LYS 24 -21.856 -10.663 1.652 197 HZ2 LYS 24 1HZ LYS 24 -21.078 -11.079 0.204 198 HZ3 LYS 24 2HZ LYS 24 -21.148 -9.453 0.692 199 H ASN 25 H ASN 25 -15.659 -13.020 6.224 200 HA ASN 25 HA ASN 25 -15.625 -15.059 7.380 201 HB2 ASN 25 2HB ASN 25 -17.951 -15.575 5.495 202 HB3 ASN 25 3HB ASN 25 -17.543 -16.595 6.874 203 HD21 ASN 25 1HD2 ASN 25 -16.672 -14.054 8.411 204 HD22 ASN 25 2HD2 ASN 25 -18.140 -13.363 8.910 205 H GLY 26 H GLY 26 -14.564 -14.729 4.372 206 HA2 GLY 26 2HA GLY 26 -14.236 -17.550 3.631 207 HA3 GLY 26 3HA GLY 26 -13.581 -16.163 2.761 208 H GLN 27 H GLN 27 -11.999 -18.390 3.203 209 HA GLN 27 HA GLN 27 -10.217 -17.696 5.488 210 HB2 GLN 27 2HB GLN 27 -10.957 -20.064 5.185 211 HB3 GLN 27 3HB GLN 27 -10.127 -20.089 3.628 212 HG2 GLN 27 2HG GLN 27 -7.990 -19.667 4.699 213 HG3 GLN 27 3HG GLN 27 -8.774 -19.439 6.261 214 HE21 GLN 27 1HE2 GLN 27 -6.767 -21.430 5.936 215 HE22 GLN 27 2HE2 GLN 27 -7.492 -22.958 6.066 216 H SER 28 H SER 28 -9.600 -15.706 4.200 217 HA SER 28 HA SER 28 -7.075 -16.210 2.855 218 HB2 SER 28 2HB SER 28 -7.578 -15.413 0.676 219 HB3 SER 28 3HB SER 28 -8.853 -16.572 1.048 220 HG SER 28 HG SER 28 -9.741 -14.665 0.235 221 H GLY 29 H GLY 29 -6.083 -14.797 4.207 222 HA2 GLY 29 2HA GLY 29 -7.176 -12.274 5.055 223 HA3 GLY 29 3HA GLY 29 -5.493 -12.771 5.216 224 H MET 30 H MET 30 -6.800 -10.202 4.282 225 HA MET 30 HA MET 30 -4.896 -9.661 2.161 226 HB2 MET 30 2HB MET 30 -6.694 -10.783 0.865 227 HB3 MET 30 3HB MET 30 -7.838 -9.572 1.446 228 HG2 MET 30 2HG MET 30 -6.621 -7.797 0.356 229 HG3 MET 30 3HG MET 30 -5.303 -8.890 -0.065 230 HE1 MET 30 3HE MET 30 -9.274 -9.919 -0.411 231 HE2 MET 30 1HE MET 30 -9.553 -8.730 -1.692 232 HE3 MET 30 2HE MET 30 -8.930 -8.214 -0.128 233 H ALA 31 H ALA 31 -4.766 -7.400 1.700 234 HA ALA 31 HA ALA 31 -6.507 -5.597 3.295 235 HB1 ALA 31 3HB ALA 31 -4.586 -4.426 4.243 236 HB2 ALA 31 1HB ALA 31 -3.484 -5.517 3.404 237 HB3 ALA 31 2HB ALA 31 -4.516 -6.131 4.695 238 H LYS 32 H LYS 32 -6.495 -3.433 2.532 239 HA LYS 32 HA LYS 32 -5.269 -3.061 -0.181 240 HB2 LYS 32 2HB LYS 32 -7.967 -2.161 0.848 241 HB3 LYS 32 3HB LYS 32 -7.265 -1.630 -0.681 242 HG2 LYS 32 2HG LYS 32 -7.120 -3.985 -1.423 243 HG3 LYS 32 3HG LYS 32 -7.861 -4.501 0.093 244 HD2 LYS 32 2HD LYS 32 -9.873 -3.168 -0.437 245 HD3 LYS 32 3HD LYS 32 -9.134 -2.665 -1.959 246 HE2 LYS 32 2HE LYS 32 -9.017 -5.018 -2.688 247 HE3 LYS 32 3HE LYS 32 -9.753 -5.528 -1.169 248 HZ1 LYS 32 3HZ LYS 32 -11.222 -5.155 -3.253 249 HZ2 LYS 32 1HZ LYS 32 -11.107 -3.516 -2.830 250 HZ3 LYS 32 2HZ LYS 32 -11.771 -4.630 -1.733 251 H PHE 33 H PHE 33 -4.459 -1.014 -0.635 252 HA PHE 33 HA PHE 33 -4.242 0.877 1.691 253 HB2 PHE 33 2HB PHE 33 -2.225 0.025 -0.390 254 HB3 PHE 33 3HB PHE 33 -2.039 1.532 0.509 255 HD1 PHE 33 HD1 PHE 33 -2.618 -2.137 0.997 256 HD2 PHE 33 HD2 PHE 33 -1.082 1.515 2.658 257 HE1 PHE 33 HE1 PHE 33 -1.710 -3.398 2.931 258 HE2 PHE 33 HE2 PHE 33 -0.174 0.257 4.589 259 HZ PHE 33 HZ PHE 33 -0.488 -2.199 4.727 260 H TYR 34 H TYR 34 -4.756 2.964 1.285 261 HA TYR 34 HA TYR 34 -5.515 3.693 -1.523 262 HB2 TYR 34 2HB TYR 34 -7.337 3.583 0.276 263 HB3 TYR 34 3HB TYR 34 -6.553 4.987 1.005 264 HD1 TYR 34 HD1 TYR 34 -6.531 7.155 -0.134 265 HD2 TYR 34 HD2 TYR 34 -8.445 3.734 -1.888 266 HE1 TYR 34 HE1 TYR 34 -7.668 8.630 -1.771 267 HE2 TYR 34 HE2 TYR 34 -9.584 5.208 -3.524 268 HH TYR 34 HH TYR 34 -10.236 7.969 -3.360 269 H PHE 35 H PHE 35 -4.221 5.150 -2.423 270 HA PHE 35 HA PHE 35 -2.623 6.983 -0.672 271 HB2 PHE 35 2HB PHE 35 -2.080 6.095 -3.515 272 HB3 PHE 35 3HB PHE 35 -1.037 7.121 -2.534 273 HD1 PHE 35 HD2 PHE 35 -2.466 3.703 -2.845 274 HD2 PHE 35 HD1 PHE 35 0.400 6.207 -0.853 275 HE1 PHE 35 HE2 PHE 35 -1.406 1.698 -1.847 276 HE2 PHE 35 HE1 PHE 35 1.452 4.204 0.154 277 HZ PHE 35 HZ PHE 35 0.551 1.945 -0.347 278 H LEU 36 H LEU 36 -3.520 8.949 -0.604 279 HA LEU 36 HA LEU 36 -5.115 9.891 -2.917 280 HB2 LEU 36 2HB LEU 36 -6.153 10.107 -0.712 281 HB3 LEU 36 3HB LEU 36 -4.771 11.031 -0.127 282 HG LEU 36 HG LEU 36 -5.249 12.824 -1.729 283 HD11 LEU 36 1HD1 LEU 36 -7.588 12.556 -2.930 284 HD12 LEU 36 2HD1 LEU 36 -7.270 10.831 -2.738 285 HD13 LEU 36 3HD1 LEU 36 -6.148 11.840 -3.648 286 HD21 LEU 36 3HD2 LEU 36 -7.703 11.927 -0.185 287 HD22 LEU 36 1HD2 LEU 36 -7.452 13.548 -0.833 288 HD23 LEU 36 2HD2 LEU 36 -6.390 12.932 0.431 289 H GLU 37 H GLU 37 -4.202 11.140 -4.383 290 HA GLU 37 HA GLU 37 -2.646 12.506 -5.464 291 HB2 GLU 37 2HB GLU 37 -3.055 13.911 -2.815 292 HB3 GLU 37 3HB GLU 37 -2.095 14.610 -4.122 293 HG2 GLU 37 2HG GLU 37 -3.979 14.615 -5.617 294 HG3 GLU 37 3HG GLU 37 -4.941 13.650 -4.501 295 HA PRO 38 HA PRO 38 0.949 10.668 -3.047 296 HB2 PRO 38 2HB PRO 38 1.701 8.819 -4.947 297 HB3 PRO 38 3HB PRO 38 0.564 8.462 -3.632 298 HG2 PRO 38 2HG PRO 38 0.006 9.100 -6.489 299 HG3 PRO 38 3HG PRO 38 -0.802 7.947 -5.415 300 HD2 PRO 38 2HD PRO 38 -1.844 10.414 -6.031 301 HD3 PRO 38 3HD PRO 38 -2.187 9.572 -4.504 302 H THR 39 H THR 39 0.269 12.455 -5.695 303 HA THR 39 HA THR 39 1.495 13.815 -7.134 304 HB THR 39 HB THR 39 3.870 13.545 -5.299 305 HG1 THR 39 HG1 THR 39 1.905 13.621 -4.048 306 HG21 THR 39 3HG2 THR 39 3.678 15.101 -7.357 307 HG22 THR 39 1HG2 THR 39 4.222 15.822 -5.842 308 HG23 THR 39 2HG2 THR 39 2.554 16.039 -6.373 309 H ILE 40 H ILE 40 2.137 10.662 -6.816 310 HA ILE 40 HA ILE 40 4.709 10.452 -8.131 311 HB ILE 40 HB ILE 40 3.454 8.686 -6.697 312 HG12 ILE 40 2HG1 ILE 40 4.368 6.819 -8.381 313 HG13 ILE 40 3HG1 ILE 40 5.046 8.223 -9.208 314 HG21 ILE 40 1HG2 ILE 40 1.872 7.290 -7.726 315 HG22 ILE 40 2HG2 ILE 40 2.324 7.809 -9.348 316 HG23 ILE 40 3HG2 ILE 40 1.412 8.892 -8.301 317 HD11 ILE 40 3HD1 ILE 40 6.679 7.371 -7.618 318 HD12 ILE 40 1HD1 ILE 40 5.491 7.428 -6.316 319 HD13 ILE 40 2HD1 ILE 40 6.082 8.924 -7.035 320 H LEU 41 H LEU 41 1.811 11.583 -9.252 321 HA LEU 41 HA LEU 41 1.906 10.358 -11.927 322 HB2 LEU 41 2HB LEU 41 0.283 12.715 -10.919 323 HB3 LEU 41 3HB LEU 41 -0.006 11.812 -12.407 324 HG LEU 41 HG LEU 41 -0.139 10.660 -9.601 325 HD11 LEU 41 1HD1 LEU 41 -2.592 10.470 -10.140 326 HD12 LEU 41 2HD1 LEU 41 -2.298 11.450 -11.579 327 HD13 LEU 41 3HD1 LEU 41 -2.025 12.131 -9.974 328 HD21 LEU 41 3HD2 LEU 41 -0.443 9.488 -12.366 329 HD22 LEU 41 1HD2 LEU 41 -1.320 8.780 -11.007 330 HD23 LEU 41 2HD2 LEU 41 0.440 8.846 -10.981 331 H ALA 42 H ALA 42 3.510 12.846 -10.322 332 HA ALA 42 HA ALA 42 3.922 14.507 -12.748 333 HB1 ALA 42 3HB ALA 42 5.145 16.004 -11.256 334 HB2 ALA 42 1HB ALA 42 5.097 14.798 -9.970 335 HB3 ALA 42 2HB ALA 42 3.606 15.575 -10.503 336 H LYS 43 H LYS 43 5.402 11.925 -11.019 337 HA LYS 43 HA LYS 43 8.031 12.380 -12.385 338 HB2 LYS 43 2HB LYS 43 7.223 10.535 -10.124 339 HB3 LYS 43 3HB LYS 43 8.834 10.581 -10.837 340 HG2 LYS 43 2HG LYS 43 8.946 13.023 -10.262 341 HG3 LYS 43 3HG LYS 43 7.415 12.846 -9.409 342 HD2 LYS 43 2HD LYS 43 9.875 11.189 -8.784 343 HD3 LYS 43 3HD LYS 43 9.468 12.677 -7.934 344 HE2 LYS 43 2HE LYS 43 7.180 11.580 -7.466 345 HE3 LYS 43 3HE LYS 43 7.937 10.071 -7.979 346 HZ1 LYS 43 3HZ LYS 43 8.355 11.627 -5.574 347 HZ2 LYS 43 1HZ LYS 43 9.768 11.021 -6.294 348 HZ3 LYS 43 2HZ LYS 43 8.524 9.958 -5.838 349 H GLU 44 H GLU 44 5.585 9.852 -11.765 350 HA GLU 44 HA GLU 44 6.288 8.640 -14.406 351 HB2 GLU 44 2HB GLU 44 6.072 7.174 -11.768 352 HB3 GLU 44 3HB GLU 44 6.101 6.375 -13.341 353 HG2 GLU 44 2HG GLU 44 8.293 7.327 -13.831 354 HG3 GLU 44 3HG GLU 44 8.265 8.236 -12.320 355 H SER 45 H SER 45 4.589 7.436 -15.350 356 HA SER 45 HA SER 45 1.924 8.403 -14.634 357 HB2 SER 45 2HB SER 45 2.322 8.266 -16.961 358 HB3 SER 45 3HB SER 45 3.034 6.662 -16.830 359 HG SER 45 HG SER 45 0.321 7.382 -16.386 360 H THR 46 H THR 46 0.088 6.822 -14.531 361 HA THR 46 HA THR 46 0.434 4.979 -12.374 362 HB THR 46 HB THR 46 -1.878 4.226 -13.003 363 HG1 THR 46 HG1 THR 46 -1.106 5.460 -15.316 364 HG21 THR 46 3HG2 THR 46 -1.380 6.314 -11.647 365 HG22 THR 46 1HG2 THR 46 -2.943 6.302 -12.462 366 HG23 THR 46 2HG2 THR 46 -1.606 7.234 -13.136 367 H ASP 47 H ASP 47 0.266 4.537 -15.877 368 HA ASP 47 HA ASP 47 0.370 1.647 -15.806 369 HB2 ASP 47 2HB ASP 47 0.883 1.852 -18.221 370 HB3 ASP 47 3HB ASP 47 -0.479 2.880 -17.768 371 H ASP 48 H ASP 48 2.730 4.159 -15.535 372 HA ASP 48 HA ASP 48 5.012 2.502 -16.312 373 HB2 ASP 48 2HB ASP 48 4.785 5.188 -14.932 374 HB3 ASP 48 3HB ASP 48 6.325 4.441 -15.356 375 H ILE 49 H ILE 49 3.051 2.602 -13.586 376 HA ILE 49 HA ILE 49 5.233 1.969 -11.679 377 HB ILE 49 HB ILE 49 2.239 2.230 -11.301 378 HG12 ILE 49 2HG1 ILE 49 4.517 3.969 -10.301 379 HG13 ILE 49 3HG1 ILE 49 3.636 4.301 -11.790 380 HG21 ILE 49 1HG2 ILE 49 2.928 2.225 -8.841 381 HG22 ILE 49 2HG2 ILE 49 4.488 1.598 -9.374 382 HG23 ILE 49 3HG2 ILE 49 3.020 0.665 -9.659 383 HD11 ILE 49 3HD1 ILE 49 1.505 4.259 -10.393 384 HD12 ILE 49 1HD1 ILE 49 2.590 5.615 -10.092 385 HD13 ILE 49 2HD1 ILE 49 2.547 4.256 -8.970 386 H THR 50 H THR 50 5.868 -0.043 -11.341 387 HA THR 50 HA THR 50 4.050 -2.311 -12.077 388 HB THR 50 HB THR 50 5.872 -2.495 -13.543 389 HG1 THR 50 HG1 THR 50 5.822 -4.098 -11.404 390 HG21 THR 50 3HG2 THR 50 7.529 -1.484 -11.226 391 HG22 THR 50 1HG2 THR 50 7.284 -0.730 -12.802 392 HG23 THR 50 2HG2 THR 50 8.259 -2.193 -12.668 393 H GLY 51 H GLY 51 3.137 -2.463 -10.011 394 HA2 GLY 51 2HA GLY 51 2.998 -3.520 -7.922 395 HA3 GLY 51 3HA GLY 51 4.676 -4.023 -8.103 396 H MET 52 H MET 52 4.060 -3.296 -5.652 397 HA MET 52 HA MET 52 5.195 -0.535 -5.335 398 HB2 MET 52 2HB MET 52 2.767 -0.616 -4.764 399 HB3 MET 52 3HB MET 52 3.122 -1.857 -3.561 400 HG2 MET 52 2HG MET 52 4.511 -0.351 -2.301 401 HG3 MET 52 3HG MET 52 4.446 0.864 -3.577 402 HE1 MET 52 3HE MET 52 1.155 -1.268 -2.383 403 HE2 MET 52 1HE MET 52 1.127 -0.525 -0.778 404 HE3 MET 52 2HE MET 52 2.559 -1.392 -1.331 405 H TYR 53 H TYR 53 6.638 -0.289 -3.600 406 HA TYR 53 HA TYR 53 7.763 -2.855 -2.544 407 HB2 TYR 53 2HB TYR 53 8.989 -0.099 -2.841 408 HB3 TYR 53 3HB TYR 53 9.811 -1.494 -2.140 409 HD1 TYR 53 HD2 TYR 53 8.278 -0.147 -5.245 410 HD2 TYR 53 HD1 TYR 53 10.687 -3.250 -3.511 411 HE1 TYR 53 HE2 TYR 53 8.902 -0.932 -7.515 412 HE2 TYR 53 HE1 TYR 53 11.307 -4.037 -5.778 413 HH TYR 53 HH TYR 53 11.445 -3.086 -8.078 414 H LEU 54 H LEU 54 6.906 -3.267 -0.596 415 HA LEU 54 HA LEU 54 6.416 -1.038 1.320 416 HB2 LEU 54 2HB LEU 54 5.548 -3.941 1.297 417 HB3 LEU 54 3HB LEU 54 5.177 -2.815 2.603 418 HG LEU 54 HG LEU 54 4.458 -2.281 -0.291 419 HD11 LEU 54 1HD1 LEU 54 3.276 -4.291 0.339 420 HD12 LEU 54 2HD1 LEU 54 2.131 -2.949 0.402 421 HD13 LEU 54 3HD1 LEU 54 2.818 -3.592 1.894 422 HD21 LEU 54 3HD2 LEU 54 2.696 -0.825 0.998 423 HD22 LEU 54 1HD2 LEU 54 4.349 -0.235 0.876 424 HD23 LEU 54 2HD2 LEU 54 3.797 -0.997 2.364 425 H ILE 55 H ILE 55 8.053 -0.613 2.655 426 HA ILE 55 HA ILE 55 9.784 -2.881 3.578 427 HB ILE 55 HB ILE 55 10.468 0.035 3.175 428 HG12 ILE 55 2HG1 ILE 55 11.598 -2.460 1.870 429 HG13 ILE 55 3HG1 ILE 55 10.326 -1.479 1.148 430 HG21 ILE 55 1HG2 ILE 55 11.667 -0.679 5.107 431 HG22 ILE 55 2HG2 ILE 55 12.804 -0.851 3.770 432 HG23 ILE 55 3HG2 ILE 55 11.982 -2.271 4.417 433 HD11 ILE 55 3HD1 ILE 55 12.981 -0.317 2.008 434 HD12 ILE 55 1HD1 ILE 55 11.759 0.424 0.973 435 HD13 ILE 55 2HD1 ILE 55 12.698 -0.948 0.386 436 H ASP 56 H ASP 56 9.633 -3.334 5.669 437 HA ASP 56 HA ASP 56 8.358 -1.349 7.498 438 HB2 ASP 56 2HB ASP 56 7.894 -3.260 8.956 439 HB3 ASP 56 3HB ASP 56 7.271 -3.556 7.334 440 H ASP 57 H ASP 57 9.211 -2.260 9.914 441 HA ASP 57 HA ASP 57 11.911 -1.168 10.052 442 HB2 ASP 57 2HB ASP 57 11.647 -1.613 12.508 443 HB3 ASP 57 3HB ASP 57 10.336 -0.649 11.832 444 H GLU 58 H GLU 58 10.717 -4.196 9.348 445 HA GLU 58 HA GLU 58 13.095 -5.605 10.512 446 HB2 GLU 58 2HB GLU 58 10.432 -6.646 9.518 447 HB3 GLU 58 3HB GLU 58 11.773 -7.682 10.003 448 HG2 GLU 58 2HG GLU 58 11.745 -6.716 12.249 449 HG3 GLU 58 3HG GLU 58 10.465 -5.601 11.776 450 H GLY 59 H GLY 59 11.246 -6.907 7.880 451 HA2 GLY 59 2HA GLY 59 13.662 -6.698 6.124 452 HA3 GLY 59 3HA GLY 59 12.423 -7.942 6.003 453 H GLU 60 H GLU 60 11.988 -7.532 3.830 454 HA GLU 60 HA GLU 60 10.407 -5.059 3.323 455 HB2 GLU 60 2HB GLU 60 11.458 -4.778 1.130 456 HB3 GLU 60 3HB GLU 60 12.678 -4.704 2.401 457 HG2 GLU 60 2HG GLU 60 13.203 -7.106 2.001 458 HG3 GLU 60 3HG GLU 60 12.041 -7.118 0.675 459 H ILE 61 H ILE 61 8.871 -5.265 1.629 460 HA ILE 61 HA ILE 61 8.283 -8.074 0.764 461 HB ILE 61 HB ILE 61 6.334 -6.058 1.905 462 HG12 ILE 61 2HG1 ILE 61 7.029 -8.863 2.821 463 HG13 ILE 61 3HG1 ILE 61 7.779 -7.414 3.488 464 HG21 ILE 61 1HG2 ILE 61 5.937 -8.715 0.513 465 HG22 ILE 61 2HG2 ILE 61 5.217 -7.158 0.099 466 HG23 ILE 61 3HG2 ILE 61 4.711 -8.003 1.563 467 HD11 ILE 61 3HD1 ILE 61 5.709 -6.614 4.353 468 HD12 ILE 61 1HD1 ILE 61 5.750 -8.328 4.759 469 HD13 ILE 61 2HD1 ILE 61 4.779 -7.769 3.401 470 H ILE 62 H ILE 62 7.598 -8.259 -1.322 471 HA ILE 62 HA ILE 62 7.378 -5.735 -2.932 472 HB ILE 62 HB ILE 62 8.037 -8.541 -3.878 473 HG12 ILE 62 2HG1 ILE 62 9.840 -7.778 -2.446 474 HG13 ILE 62 3HG1 ILE 62 10.369 -7.617 -4.121 475 HG21 ILE 62 1HG2 ILE 62 8.154 -5.818 -5.202 476 HG22 ILE 62 2HG2 ILE 62 7.082 -7.151 -5.626 477 HG23 ILE 62 3HG2 ILE 62 8.817 -7.291 -5.909 478 HD11 ILE 62 3HD1 ILE 62 10.999 -5.556 -3.200 479 HD12 ILE 62 1HD1 ILE 62 9.569 -5.467 -2.174 480 HD13 ILE 62 2HD1 ILE 62 9.431 -5.174 -3.908 481 H THR 63 H THR 63 5.456 -5.318 -3.844 482 HA THR 63 HA THR 63 3.428 -7.529 -4.003 483 HB THR 63 HB THR 63 2.986 -4.576 -3.475 484 HG1 THR 63 HG1 THR 63 3.274 -5.220 -1.506 485 HG21 THR 63 3HG2 THR 63 1.136 -5.385 -4.746 486 HG22 THR 63 1HG2 THR 63 0.615 -5.429 -3.062 487 HG23 THR 63 2HG2 THR 63 1.114 -6.915 -3.871 488 H ARG 64 H ARG 64 2.845 -7.990 -6.012 489 HA ARG 64 HA ARG 64 3.435 -6.066 -8.204 490 HB2 ARG 64 2HB ARG 64 4.148 -8.575 -8.184 491 HB3 ARG 64 3HB ARG 64 2.452 -8.905 -8.529 492 HG2 ARG 64 2HG ARG 64 3.319 -8.756 -10.689 493 HG3 ARG 64 3HG ARG 64 2.788 -7.093 -10.431 494 HD2 ARG 64 2HD ARG 64 5.084 -6.473 -9.741 495 HD3 ARG 64 3HD ARG 64 5.603 -8.136 -9.991 496 HE ARG 64 HE ARG 64 5.600 -7.740 -12.318 497 HH11 ARG 64 1HH2 ARG 64 3.948 -5.242 -10.581 498 HH12 ARG 64 2HH2 ARG 64 3.823 -4.200 -11.960 499 HH21 ARG 64 1HH1 ARG 64 5.441 -6.393 -14.098 500 HH22 ARG 64 2HH1 ARG 64 4.667 -4.852 -13.946 501 H GLU 65 H GLU 65 0.878 -7.191 -6.278 502 HA GLU 65 HA GLU 65 -1.221 -6.798 -8.304 503 HB2 GLU 65 2HB GLU 65 -1.349 -7.309 -5.315 504 HB3 GLU 65 3HB GLU 65 -2.763 -7.208 -6.365 505 HG2 GLU 65 2HG GLU 65 -0.483 -9.177 -6.731 506 HG3 GLU 65 3HG GLU 65 -2.025 -9.564 -5.972 507 H VAL 66 H VAL 66 -0.572 -4.566 -8.786 508 HA VAL 66 HA VAL 66 -1.633 -2.616 -6.774 509 HB VAL 66 HB VAL 66 0.718 -2.350 -8.650 510 HG11 VAL 66 1HG1 VAL 66 -0.397 -0.259 -8.832 511 HG12 VAL 66 2HG1 VAL 66 0.823 -0.003 -7.586 512 HG13 VAL 66 3HG1 VAL 66 -0.861 -0.266 -7.131 513 HG21 VAL 66 3HG2 VAL 66 0.417 -2.052 -5.644 514 HG22 VAL 66 1HG2 VAL 66 1.916 -1.867 -6.551 515 HG23 VAL 66 2HG2 VAL 66 1.128 -3.441 -6.464 516 H LYS 67 H LYS 67 -3.212 -1.295 -7.502 517 HA LYS 67 HA LYS 67 -3.693 -1.121 -10.454 518 HB2 LYS 67 2HB LYS 67 -5.751 -1.457 -8.255 519 HB3 LYS 67 3HB LYS 67 -6.127 -1.174 -9.954 520 HG2 LYS 67 2HG LYS 67 -4.393 -3.498 -9.111 521 HG3 LYS 67 3HG LYS 67 -6.152 -3.626 -9.109 522 HD2 LYS 67 2HD LYS 67 -6.187 -2.969 -11.504 523 HD3 LYS 67 3HD LYS 67 -4.429 -2.909 -11.507 524 HE2 LYS 67 2HE LYS 67 -4.341 -5.284 -10.876 525 HE3 LYS 67 3HE LYS 67 -6.104 -5.351 -10.904 526 HZ1 LYS 67 3HZ LYS 67 -4.379 -4.614 -13.206 527 HZ2 LYS 67 1HZ LYS 67 -6.070 -4.730 -13.225 528 HZ3 LYS 67 2HZ LYS 67 -5.126 -6.124 -12.988 529 H GLY 68 H GLY 68 -4.332 0.841 -11.209 530 HA2 GLY 68 2HA GLY 68 -4.012 3.117 -9.342 531 HA3 GLY 68 3HA GLY 68 -3.961 3.211 -11.097 532 H LYS 69 H LYS 69 -5.631 4.580 -8.928 533 HA LYS 69 HA LYS 69 -8.366 3.878 -9.894 534 HB2 LYS 69 2HB LYS 69 -7.421 5.592 -7.579 535 HB3 LYS 69 3HB LYS 69 -9.112 5.310 -7.985 536 HG2 LYS 69 2HG LYS 69 -7.225 3.002 -7.495 537 HG3 LYS 69 3HG LYS 69 -8.034 3.812 -6.154 538 HD2 LYS 69 2HD LYS 69 -10.230 3.359 -7.222 539 HD3 LYS 69 3HD LYS 69 -9.414 2.501 -8.523 540 HE2 LYS 69 2HE LYS 69 -8.486 0.902 -6.906 541 HE3 LYS 69 3HE LYS 69 -9.304 1.755 -5.596 542 HZ1 LYS 69 3HZ LYS 69 -10.823 0.779 -7.925 543 HZ2 LYS 69 1HZ LYS 69 -11.376 1.118 -6.358 544 HZ3 LYS 69 2HZ LYS 69 -10.445 -0.274 -6.646 545 H PHE 70 H PHE 70 -9.187 5.064 -11.462 546 HA PHE 70 HA PHE 70 -8.058 7.769 -12.005 547 HB2 PHE 70 2HB PHE 70 -9.684 5.923 -13.767 548 HB3 PHE 70 3HB PHE 70 -9.034 7.488 -14.254 549 HD1 PHE 70 HD2 PHE 70 -6.595 7.840 -14.446 550 HD2 PHE 70 HD1 PHE 70 -8.248 3.982 -13.536 551 HE1 PHE 70 HE2 PHE 70 -4.425 6.778 -15.009 552 HE2 PHE 70 HE1 PHE 70 -6.078 2.919 -14.099 553 HZ PHE 70 HZ PHE 70 -4.167 4.318 -14.835 554 H ILE 71 H ILE 71 -9.215 9.421 -11.333 555 HA ILE 71 HA ILE 71 -12.194 9.163 -11.114 556 HB ILE 71 HB ILE 71 -10.262 10.880 -9.533 557 HG12 ILE 71 2HG1 ILE 71 -12.163 8.702 -8.614 558 HG13 ILE 71 3HG1 ILE 71 -10.457 8.417 -8.959 559 HG21 ILE 71 1HG2 ILE 71 -13.281 10.791 -9.671 560 HG22 ILE 71 2HG2 ILE 71 -12.222 12.193 -9.823 561 HG23 ILE 71 3HG2 ILE 71 -12.434 11.414 -8.255 562 HD11 ILE 71 3HD1 ILE 71 -9.799 10.018 -7.242 563 HD12 ILE 71 1HD1 ILE 71 -10.900 8.835 -6.534 564 HD13 ILE 71 2HD1 ILE 71 -11.485 10.446 -6.953 565 H ASN 72 H ASN 72 -13.422 10.662 -12.120 566 HA ASN 72 HA ASN 72 -14.018 12.344 -13.612 567 HB2 ASN 72 2HB ASN 72 -11.550 13.627 -12.404 568 HB3 ASN 72 3HB ASN 72 -12.601 14.446 -13.555 569 HD21 ASN 72 1HD2 ASN 72 -12.254 15.305 -10.802 570 HD22 ASN 72 2HD2 ASN 72 -13.753 15.136 -10.025 571 H GLY 73 H GLY 73 -12.411 10.134 -14.548 572 HA2 GLY 73 2HA GLY 73 -11.409 9.491 -16.566 573 HA3 GLY 73 3HA GLY 73 -11.794 11.099 -17.184 574 H ARG 74 H ARG 74 -9.896 10.681 -14.285 575 HA ARG 74 HA ARG 74 -7.357 10.964 -15.732 576 HB2 ARG 74 2HB ARG 74 -6.774 13.081 -14.460 577 HB3 ARG 74 3HB ARG 74 -7.978 13.284 -15.730 578 HG2 ARG 74 2HG ARG 74 -9.777 13.134 -14.041 579 HG3 ARG 74 3HG ARG 74 -8.561 12.960 -12.773 580 HD2 ARG 74 2HD ARG 74 -7.600 15.159 -13.412 581 HD3 ARG 74 3HD ARG 74 -8.864 15.343 -14.629 582 HE ARG 74 HE ARG 74 -10.237 14.886 -12.249 583 HH11 ARG 74 1HH2 ARG 74 -7.881 17.123 -13.424 584 HH12 ARG 74 2HH2 ARG 74 -8.416 18.415 -12.403 585 HH21 ARG 74 1HH1 ARG 74 -10.938 16.562 -10.921 586 HH22 ARG 74 2HH1 ARG 74 -10.143 18.099 -10.990 587 HA PRO 75 HA PRO 75 -6.022 8.795 -12.088 588 HB2 PRO 75 2HB PRO 75 -3.334 9.398 -12.096 589 HB3 PRO 75 3HB PRO 75 -4.083 8.235 -13.208 590 HG2 PRO 75 2HG PRO 75 -3.315 11.078 -13.687 591 HG3 PRO 75 3HG PRO 75 -3.160 9.674 -14.756 592 HD2 PRO 75 2HD PRO 75 -5.166 11.510 -15.026 593 HD3 PRO 75 3HD PRO 75 -5.364 9.803 -15.466 594 H THR 76 H THR 76 -6.654 9.555 -10.139 595 HA THR 76 HA THR 76 -5.312 12.001 -9.043 596 HB THR 76 HB THR 76 -8.153 11.139 -8.462 597 HG1 THR 76 HG1 THR 76 -7.069 12.527 -10.557 598 HG21 THR 76 3HG2 THR 76 -6.547 13.644 -7.902 599 HG22 THR 76 1HG2 THR 76 -7.164 12.493 -6.718 600 HG23 THR 76 2HG2 THR 76 -8.285 13.504 -7.631 601 H ALA 77 H ALA 77 -6.148 8.676 -8.664 602 HA ALA 77 HA ALA 77 -4.787 8.684 -6.030 603 HB1 ALA 77 3HB ALA 77 -7.641 7.778 -6.423 604 HB2 ALA 77 1HB ALA 77 -7.033 8.960 -5.265 605 HB3 ALA 77 2HB ALA 77 -6.653 7.248 -5.063 606 H ILE 78 H ILE 78 -4.179 6.533 -5.343 607 HA ILE 78 HA ILE 78 -4.258 4.469 -7.507 608 HB ILE 78 HB ILE 78 -1.886 5.302 -5.824 609 HG12 ILE 78 2HG1 ILE 78 -2.245 5.203 -8.833 610 HG13 ILE 78 3HG1 ILE 78 -2.491 6.660 -7.872 611 HG21 ILE 78 1HG2 ILE 78 -1.820 2.905 -5.976 612 HG22 ILE 78 2HG2 ILE 78 -0.716 3.509 -7.209 613 HG23 ILE 78 3HG2 ILE 78 -2.321 2.937 -7.666 614 HD11 ILE 78 3HD1 ILE 78 -0.135 6.344 -6.986 615 HD12 ILE 78 1HD1 ILE 78 -0.239 6.749 -8.699 616 HD13 ILE 78 2HD1 ILE 78 0.071 5.085 -8.204 617 H GLU 79 H GLU 79 -4.326 2.326 -6.787 618 HA GLU 79 HA GLU 79 -4.741 1.932 -3.839 619 HB2 GLU 79 2HB GLU 79 -6.886 2.010 -5.176 620 HB3 GLU 79 3HB GLU 79 -6.317 0.586 -6.048 621 HG2 GLU 79 2HG GLU 79 -7.720 -0.206 -4.266 622 HG3 GLU 79 3HG GLU 79 -6.058 -0.555 -3.793 623 H ALA 80 H ALA 80 -4.056 -0.063 -3.034 624 HA ALA 80 HA ALA 80 -2.740 -1.950 -4.921 625 HB1 ALA 80 3HB ALA 80 -0.844 -2.118 -3.210 626 HB2 ALA 80 1HB ALA 80 -1.464 -0.613 -2.537 627 HB3 ALA 80 2HB ALA 80 -0.873 -0.655 -4.197 628 H THR 81 H THR 81 -2.760 -4.083 -4.215 629 HA THR 81 HA THR 81 -4.277 -4.619 -1.679 630 HB THR 81 HB THR 81 -4.351 -6.144 -4.297 631 HG1 THR 81 HG1 THR 81 -6.677 -5.206 -3.289 632 HG21 THR 81 3HG2 THR 81 -5.597 -6.617 -1.587 633 HG22 THR 81 1HG2 THR 81 -4.615 -7.728 -2.541 634 HG23 THR 81 2HG2 THR 81 -6.253 -7.330 -3.060 635 H VAL 82 H VAL 82 -3.303 -5.945 -0.270 636 HA VAL 82 HA VAL 82 -0.886 -7.482 -1.168 637 HB VAL 82 HB VAL 82 -1.497 -6.113 1.464 638 HG11 VAL 82 1HG1 VAL 82 0.840 -7.032 2.051 639 HG12 VAL 82 2HG1 VAL 82 0.595 -8.167 0.722 640 HG13 VAL 82 3HG1 VAL 82 -0.502 -8.175 2.101 641 HG21 VAL 82 3HG2 VAL 82 -0.557 -4.748 -0.417 642 HG22 VAL 82 1HG2 VAL 82 0.819 -5.848 -0.481 643 HG23 VAL 82 2HG2 VAL 82 0.542 -4.866 0.958 644 H ILE 83 H ILE 83 -1.001 -9.620 -0.900 645 HA ILE 83 HA ILE 83 -3.415 -10.815 0.243 646 HB ILE 83 HB ILE 83 -0.966 -11.905 -1.158 647 HG12 ILE 83 2HG1 ILE 83 -2.580 -12.511 -2.873 648 HG13 ILE 83 3HG1 ILE 83 -3.923 -12.045 -1.830 649 HG21 ILE 83 1HG2 ILE 83 -1.428 -13.638 0.404 650 HG22 ILE 83 2HG2 ILE 83 -2.279 -14.128 -1.062 651 HG23 ILE 83 3HG2 ILE 83 -3.169 -13.401 0.275 652 HD11 ILE 83 3HD1 ILE 83 -1.782 -10.066 -2.610 653 HD12 ILE 83 1HD1 ILE 83 -3.404 -9.742 -1.993 654 HD13 ILE 83 2HD1 ILE 83 -3.186 -10.355 -3.633 655 H LEU 84 H LEU 84 -3.597 -11.514 2.265 656 HA LEU 84 HA LEU 84 -1.132 -12.007 3.907 657 HB2 LEU 84 2HB LEU 84 -3.829 -10.953 4.822 658 HB3 LEU 84 3HB LEU 84 -2.410 -11.199 5.841 659 HG LEU 84 HG LEU 84 -2.539 -9.309 3.468 660 HD11 LEU 84 1HD1 LEU 84 -2.489 -8.704 6.440 661 HD12 LEU 84 2HD1 LEU 84 -3.917 -8.580 5.411 662 HD13 LEU 84 3HD1 LEU 84 -2.535 -7.519 5.134 663 HD21 LEU 84 3HD2 LEU 84 -0.372 -10.104 5.414 664 HD22 LEU 84 1HD2 LEU 84 -0.369 -8.482 4.719 665 HD23 LEU 84 2HD2 LEU 84 -0.268 -9.891 3.666 666 H ASN 85 H ASN 85 -2.588 -13.899 2.243 667 HA ASN 85 HA ASN 85 -4.413 -15.500 3.763 668 HB2 ASN 85 2HB ASN 85 -2.528 -16.177 1.489 669 HB3 ASN 85 3HB ASN 85 -3.673 -17.338 2.159 670 HD21 ASN 85 1HD2 ASN 85 -3.901 -16.495 -0.559 671 HD22 ASN 85 2HD2 ASN 85 -5.311 -15.563 -0.718 672 H SER 86 H SER 86 -0.882 -15.559 3.455 673 HA SER 86 HA SER 86 -0.523 -17.946 5.043 674 HB2 SER 86 2HB SER 86 1.542 -15.770 4.724 675 HB3 SER 86 3HB SER 86 1.793 -17.505 4.881 676 HG SER 86 HG SER 86 1.123 -15.985 2.677 677 H GLN 87 H GLN 87 0.011 -18.138 7.222 678 HA GLN 87 HA GLN 87 -1.081 -16.124 8.982 679 HB2 GLN 87 2HB GLN 87 -0.306 -18.875 9.150 680 HB3 GLN 87 3HB GLN 87 0.551 -18.028 10.431 681 HG2 GLN 87 2HG GLN 87 -1.594 -18.782 11.284 682 HG3 GLN 87 3HG GLN 87 -1.629 -17.025 11.144 683 HE21 GLN 87 1HE2 GLN 87 -4.029 -17.202 10.960 684 HE22 GLN 87 2HE2 GLN 87 -4.724 -17.650 9.478 685 HA PRO 88 HA PRO 88 3.669 -15.635 10.202 686 HB2 PRO 88 2HB PRO 88 4.777 -16.034 7.448 687 HB3 PRO 88 3HB PRO 88 5.462 -16.508 9.014 688 HG2 PRO 88 2HG PRO 88 4.376 -18.306 7.374 689 HG3 PRO 88 3HG PRO 88 4.196 -18.432 9.134 690 HD2 PRO 88 2HD PRO 88 2.190 -17.547 7.097 691 HD3 PRO 88 3HD PRO 88 1.936 -18.447 8.603 692 H GLU 89 H GLU 89 2.344 -14.768 7.051 693 HA GLU 89 HA GLU 89 3.713 -12.262 6.744 694 HB2 GLU 89 2HB GLU 89 1.296 -13.565 5.541 695 HB3 GLU 89 3HB GLU 89 1.499 -11.834 5.285 696 HG2 GLU 89 2HG GLU 89 2.530 -13.104 3.451 697 HG3 GLU 89 3HG GLU 89 3.762 -12.245 4.375 698 H TRP 90 H TRP 90 0.667 -13.154 8.298 699 HA TRP 90 HA TRP 90 -0.317 -10.520 8.754 700 HB2 TRP 90 2HB TRP 90 -0.747 -13.204 10.019 701 HB3 TRP 90 3HB TRP 90 -1.367 -11.786 10.863 702 HD1 TRP 90 HD1 TRP 90 -2.156 -14.125 8.088 703 HE1 TRP 90 HE1 TRP 90 -4.233 -13.300 6.799 704 HE3 TRP 90 HE3 TRP 90 -2.579 -9.421 10.022 705 HZ2 TRP 90 HZ2 TRP 90 -5.859 -10.946 6.620 706 HZ3 TRP 90 HZ3 TRP 90 -4.395 -7.908 9.277 707 HH2 TRP 90 HH2 TRP 90 -6.032 -8.666 7.577 708 H ASP 91 H ASP 91 1.900 -12.532 10.640 709 HA ASP 91 HA ASP 91 2.090 -10.835 12.927 710 HB2 ASP 91 2HB ASP 91 2.990 -13.140 12.855 711 HB3 ASP 91 3HB ASP 91 4.203 -12.621 11.686 712 H ARG 92 H ARG 92 4.156 -11.020 10.033 713 HA ARG 92 HA ARG 92 5.775 -8.739 10.737 714 HB2 ARG 92 2HB ARG 92 6.469 -10.497 9.107 715 HB3 ARG 92 3HB ARG 92 5.230 -9.913 7.998 716 HG2 ARG 92 2HG ARG 92 6.302 -7.690 7.957 717 HG3 ARG 92 3HG ARG 92 7.544 -8.268 9.067 718 HD2 ARG 92 2HD ARG 92 6.991 -9.488 6.350 719 HD3 ARG 92 3HD ARG 92 8.259 -8.305 6.663 720 HE ARG 92 HE ARG 92 8.282 -11.126 7.480 721 HH11 ARG 92 1HH2 ARG 92 9.571 -7.938 7.868 722 HH12 ARG 92 2HH2 ARG 92 11.060 -8.496 8.555 723 HH21 ARG 92 1HH1 ARG 92 10.208 -11.846 8.367 724 HH22 ARG 92 2HH1 ARG 92 11.420 -10.701 8.839 725 H PHE 93 H PHE 93 2.935 -9.170 8.662 726 HA PHE 93 HA PHE 93 2.780 -6.489 7.682 727 HB2 PHE 93 2HB PHE 93 1.482 -8.424 6.766 728 HB3 PHE 93 3HB PHE 93 0.490 -8.397 8.222 729 HD1 PHE 93 HD1 PHE 93 1.599 -6.288 5.353 730 HD2 PHE 93 HD2 PHE 93 -1.351 -6.919 8.410 731 HE1 PHE 93 HE1 PHE 93 0.186 -4.508 4.358 732 HE2 PHE 93 HE2 PHE 93 -2.765 -5.139 7.414 733 HZ PHE 93 HZ PHE 93 -1.994 -3.934 5.389 734 H MET 94 H MET 94 1.349 -8.044 10.528 735 HA MET 94 HA MET 94 -0.196 -5.849 11.460 736 HB2 MET 94 2HB MET 94 -0.311 -8.163 12.392 737 HB3 MET 94 3HB MET 94 1.279 -7.920 13.113 738 HG2 MET 94 2HG MET 94 0.433 -6.075 14.465 739 HG3 MET 94 3HG MET 94 -1.147 -6.199 13.693 740 HE1 MET 94 3HE MET 94 -0.936 -6.091 16.655 741 HE2 MET 94 1HE MET 94 -1.904 -7.444 17.259 742 HE3 MET 94 2HE MET 94 -2.483 -6.476 15.905 743 H ARG 95 H ARG 95 3.193 -6.717 12.042 744 HA ARG 95 HA ARG 95 3.761 -4.577 13.871 745 HB2 ARG 95 2HB ARG 95 5.515 -6.185 12.006 746 HB3 ARG 95 3HB ARG 95 6.160 -4.999 13.141 747 HG2 ARG 95 2HG ARG 95 5.121 -6.226 15.013 748 HG3 ARG 95 3HG ARG 95 4.472 -7.409 13.878 749 HD2 ARG 95 2HD ARG 95 6.760 -7.998 13.175 750 HD3 ARG 95 3HD ARG 95 7.416 -6.821 14.310 751 HE ARG 95 HE ARG 95 6.247 -9.434 15.010 752 HH11 ARG 95 1HH2 ARG 95 7.293 -6.296 16.020 753 HH12 ARG 95 2HH2 ARG 95 7.507 -6.765 17.672 754 HH21 ARG 95 1HH1 ARG 95 6.527 -10.047 17.150 755 HH22 ARG 95 2HH1 ARG 95 7.075 -8.884 18.313 756 H PHE 96 H PHE 96 3.994 -4.850 10.344 757 HA PHE 96 HA PHE 96 5.231 -2.322 9.857 758 HB2 PHE 96 2HB PHE 96 5.091 -3.943 8.073 759 HB3 PHE 96 3HB PHE 96 3.335 -4.000 8.194 760 HD1 PHE 96 HD1 PHE 96 6.042 -1.433 7.752 761 HD2 PHE 96 HD2 PHE 96 2.128 -2.779 6.605 762 HE1 PHE 96 HE1 PHE 96 5.874 0.439 6.133 763 HE2 PHE 96 HE2 PHE 96 1.960 -0.907 4.988 764 HZ PHE 96 HZ PHE 96 3.831 0.702 4.751 765 H MET 97 H MET 97 1.803 -3.260 9.930 766 HA MET 97 HA MET 97 0.788 -0.601 9.494 767 HB2 MET 97 2HB MET 97 -0.552 -2.666 9.123 768 HB3 MET 97 3HB MET 97 -0.546 -2.953 10.864 769 HG2 MET 97 2HG MET 97 -1.730 -0.880 11.269 770 HG3 MET 97 3HG MET 97 -1.620 -0.439 9.566 771 HE1 MET 97 3HE MET 97 -4.114 -0.812 11.689 772 HE2 MET 97 1HE MET 97 -3.504 -2.357 12.294 773 HE3 MET 97 2HE MET 97 -5.065 -2.282 11.479 774 H GLU 98 H GLU 98 1.501 -2.491 12.398 775 HA GLU 98 HA GLU 98 0.388 -0.657 14.296 776 HB2 GLU 98 2HB GLU 98 1.067 -3.016 14.800 777 HB3 GLU 98 3HB GLU 98 2.752 -2.523 14.650 778 HG2 GLU 98 2HG GLU 98 2.137 -2.523 17.004 779 HG3 GLU 98 3HG GLU 98 2.381 -0.858 16.482 780 H ARG 99 H ARG 99 3.708 -1.039 13.070 781 HA ARG 99 HA ARG 99 4.782 1.179 14.550 782 HB2 ARG 99 2HB ARG 99 6.079 -0.713 13.396 783 HB3 ARG 99 3HB ARG 99 5.807 0.165 11.893 784 HG2 ARG 99 2HG ARG 99 7.868 1.055 12.527 785 HG3 ARG 99 3HG ARG 99 6.774 2.219 13.274 786 HD2 ARG 99 2HD ARG 99 6.894 0.917 15.399 787 HD3 ARG 99 3HD ARG 99 8.058 -0.165 14.643 788 HE ARG 99 HE ARG 99 8.561 2.618 15.481 789 HH11 ARG 99 1HH2 ARG 99 9.579 -0.202 13.757 790 HH12 ARG 99 2HH2 ARG 99 11.248 0.258 13.753 791 HH21 ARG 99 1HH1 ARG 99 10.711 3.214 15.477 792 HH22 ARG 99 2HH1 ARG 99 11.889 2.191 14.724 793 H TYR 100 H TYR 100 3.498 0.858 11.269 794 HA TYR 100 HA TYR 100 4.042 3.508 10.373 795 HB2 TYR 100 2HB TYR 100 3.339 1.764 8.822 796 HB3 TYR 100 3HB TYR 100 1.793 1.610 9.656 797 HD1 TYR 100 HD2 TYR 100 3.831 3.723 7.428 798 HD2 TYR 100 HD1 TYR 100 0.050 3.293 9.421 799 HE1 TYR 100 HE2 TYR 100 2.880 5.527 6.016 800 HE2 TYR 100 HE1 TYR 100 -0.899 5.097 8.009 801 HH TYR 100 HH TYR 100 0.617 7.273 6.550 802 H GLY 101 H GLY 101 1.187 2.120 11.960 803 HA2 GLY 101 2HA GLY 101 -0.342 4.543 12.036 804 HA3 GLY 101 3HA GLY 101 -0.604 3.143 13.071 805 H ALA 102 H ALA 102 2.147 3.216 14.105 806 HA ALA 102 HA ALA 102 1.717 4.887 16.394 807 HB1 ALA 102 3HB ALA 102 3.211 2.822 16.227 808 HB2 ALA 102 1HB ALA 102 3.901 4.196 17.096 809 HB3 ALA 102 2HB ALA 102 4.393 3.862 15.436 810 H GLU 103 H GLU 103 3.636 5.326 13.448 811 HA GLU 103 HA GLU 103 4.551 7.989 14.350 812 HB2 GLU 103 2HB GLU 103 5.751 8.011 12.158 813 HB3 GLU 103 3HB GLU 103 6.140 6.590 13.128 814 HG2 GLU 103 2HG GLU 103 4.538 5.246 11.851 815 HG3 GLU 103 3HG GLU 103 4.074 6.659 10.907 816 H ASN 104 H ASN 104 1.956 6.622 12.568 817 HA ASN 104 HA ASN 104 1.341 9.219 11.234 818 HB2 ASN 104 2HB ASN 104 0.306 6.410 10.800 819 HB3 ASN 104 3HB ASN 104 -0.400 7.827 10.027 820 HD21 ASN 104 1HD2 ASN 104 2.035 5.458 9.683 821 HD22 ASN 104 2HD2 ASN 104 2.933 6.223 8.462 822 H GLY 105 H GLY 105 -0.573 10.256 11.632 823 HA2 GLY 105 2HA GLY 105 -1.815 9.815 14.236 824 HA3 GLY 105 3HA GLY 105 -2.239 11.085 13.088 825 H LEU 106 H LEU 106 -2.173 8.146 11.515 826 HA LEU 106 HA LEU 106 -3.857 6.811 10.597 827 HB2 LEU 106 2HB LEU 106 -4.826 7.206 13.432 828 HB3 LEU 106 3HB LEU 106 -5.775 6.276 12.275 829 HG LEU 106 HG LEU 106 -3.798 4.835 11.850 830 HD11 LEU 106 1HD1 LEU 106 -2.588 6.676 13.916 831 HD12 LEU 106 2HD1 LEU 106 -1.941 6.217 12.343 832 HD13 LEU 106 3HD1 LEU 106 -1.962 5.047 13.662 833 HD21 LEU 106 3HD2 LEU 106 -5.431 4.111 13.500 834 HD22 LEU 106 1HD2 LEU 106 -4.683 5.123 14.736 835 HD23 LEU 106 2HD2 LEU 106 -3.817 3.724 14.101 836 H GLY 107 H GLY 107 -6.163 6.785 9.927 837 HA2 GLY 107 2HA GLY 107 -7.974 8.917 10.283 838 HA3 GLY 107 3HA GLY 107 -6.964 9.336 8.898 839 H PHE 108 H PHE 108 -9.858 8.180 9.497 840 HA PHE 108 HA PHE 108 -11.324 6.615 8.512 841 HB2 PHE 108 2HB PHE 108 -9.712 7.578 6.127 842 HB3 PHE 108 3HB PHE 108 -11.266 6.747 6.024 843 HD1 PHE 108 HD1 PHE 108 -13.291 7.786 7.184 844 HD2 PHE 108 HD2 PHE 108 -9.609 9.910 6.564 845 HE1 PHE 108 HE1 PHE 108 -14.472 9.938 7.541 846 HE2 PHE 108 HE2 PHE 108 -10.790 12.062 6.920 847 HZ PHE 108 HZ PHE 108 -13.221 12.077 7.407 848 H SER 109 H SER 109 -8.595 5.600 9.368 849 HA SER 109 HA SER 109 -7.689 3.592 7.551 850 HB2 SER 109 2HB SER 109 -6.338 4.216 9.475 851 HB3 SER 109 3HB SER 109 -7.613 3.697 10.574 852 HG SER 109 HG SER 109 -5.658 2.252 9.571 853 H LYS 110 H LYS 110 -9.202 2.704 10.621 854 HA LYS 110 HA LYS 110 -11.306 1.162 9.238 855 HB2 LYS 110 2HB LYS 110 -9.186 -0.270 9.357 856 HB3 LYS 110 3HB LYS 110 -9.389 -0.233 11.108 857 HG2 LYS 110 2HG LYS 110 -10.557 -2.184 10.608 858 HG3 LYS 110 3HG LYS 110 -11.868 -1.006 10.520 859 HD2 LYS 110 2HD LYS 110 -11.541 -0.832 8.073 860 HD3 LYS 110 3HD LYS 110 -10.243 -2.021 8.167 861 HE2 LYS 110 2HE LYS 110 -13.083 -2.543 9.077 862 HE3 LYS 110 3HE LYS 110 -12.455 -2.991 7.491 863 HZ1 LYS 110 3HZ LYS 110 -10.658 -3.863 9.460 864 HZ2 LYS 110 1HZ LYS 110 -11.561 -4.795 8.369 865 HZ3 LYS 110 2HZ LYS 110 -12.214 -4.394 9.886 866 H SER 111 H SER 111 -9.676 1.489 12.408 867 HA SER 111 HA SER 111 -12.015 1.001 13.985 868 HB2 SER 111 2HB SER 111 -10.729 2.057 15.824 869 HB3 SER 111 3HB SER 111 -9.733 0.919 14.920 870 HG SER 111 HG SER 111 -9.568 3.665 15.132 871 H GLU 112 H GLU 112 -10.771 3.877 12.437 872 HA GLU 112 HA GLU 112 -12.830 5.584 13.740 873 HB2 GLU 112 2HB GLU 112 -10.576 6.213 11.811 874 HB3 GLU 112 3HB GLU 112 -11.669 7.416 12.490 875 HG2 GLU 112 2HG GLU 112 -9.838 7.531 13.962 876 HG3 GLU 112 3HG GLU 112 -10.921 6.424 14.805 877 H LEU 113 H LEU 113 -12.055 4.022 10.713 878 HA LEU 113 HA LEU 113 -13.828 5.526 9.038 879 HB2 LEU 113 2HB LEU 113 -11.958 3.663 8.519 880 HB3 LEU 113 3HB LEU 113 -13.371 2.614 8.488 881 HG LEU 113 HG LEU 113 -12.938 5.108 6.821 882 HD11 LEU 113 1HD1 LEU 113 -11.708 3.065 6.094 883 HD12 LEU 113 2HD1 LEU 113 -12.938 3.568 4.934 884 HD13 LEU 113 3HD1 LEU 113 -13.245 2.202 6.005 885 HD21 LEU 113 3HD2 LEU 113 -15.129 4.214 5.736 886 HD22 LEU 113 1HD2 LEU 113 -15.253 5.102 7.255 887 HD23 LEU 113 2HD2 LEU 113 -15.348 3.342 7.257 888 H GLU 114 H GLU 114 -14.292 2.550 10.931 889 HA GLU 114 HA GLU 114 -17.115 2.352 10.127 890 HB2 GLU 114 2HB GLU 114 -15.474 0.785 12.142 891 HB3 GLU 114 3HB GLU 114 -17.137 0.406 11.699 892 HG2 GLU 114 2HG GLU 114 -14.824 0.533 9.738 893 HG3 GLU 114 3HG GLU 114 -15.461 -0.958 10.435 894 H HIS 115 H HIS 115 -15.617 4.449 12.079 895 HA HIS 115 HA HIS 115 -17.959 4.615 13.947 896 HB2 HIS 115 2HB HIS 115 -15.034 4.945 14.641 897 HB3 HIS 115 3HB HIS 115 -16.360 5.406 15.707 898 HD1 HIS 115 HD1 HIS 115 -14.851 2.355 14.042 899 HD2 HIS 115 HD2 HIS 115 -17.580 3.275 17.055 900 HE1 HIS 115 HE1 HIS 115 -15.393 0.172 15.208 901 H HIS 116 H HIS 116 -18.462 6.745 14.652 902 HA HIS 116 HA HIS 116 -17.468 8.888 12.811 903 HB2 HIS 116 2HB HIS 116 -20.049 8.669 14.390 904 HB3 HIS 116 3HB HIS 116 -19.605 10.032 13.361 905 HD1 HIS 116 HD1 HIS 116 -19.141 9.379 10.761 906 HD2 HIS 116 HD2 HIS 116 -21.245 6.570 13.011 907 HE1 HIS 116 HE1 HIS 116 -20.248 7.818 9.103 908 H HIS 117 H HIS 117 -16.189 10.371 13.692 909 HA HIS 117 HA HIS 117 -15.567 10.487 16.499 910 HB2 HIS 117 2HB HIS 117 -14.019 11.196 14.663 911 HB3 HIS 117 3HB HIS 117 -15.073 12.576 14.357 912 HD1 HIS 117 HD1 HIS 117 -13.180 11.059 17.299 913 HD2 HIS 117 HD2 HIS 117 -14.399 14.783 15.880 914 HE1 HIS 117 HE1 HIS 117 -12.252 12.777 18.910 915 H HIS 118 H HIS 118 -17.588 12.494 14.368 916 HA HIS 118 HA HIS 118 -18.413 14.183 16.649 917 HB2 HIS 118 2HB HIS 118 -19.761 15.385 14.909 918 HB3 HIS 118 3HB HIS 118 -18.036 15.323 14.550 919 HD1 HIS 118 HD1 HIS 118 -17.265 13.672 12.650 920 HD2 HIS 118 HD2 HIS 118 -21.399 14.009 13.068 921 HE1 HIS 118 HE1 HIS 118 -18.283 12.650 10.567 922 H HIS 119 H HIS 119 -20.184 13.811 17.822 923 HA HIS 119 HA HIS 119 -21.864 11.503 17.292 924 HB2 HIS 119 2HB HIS 119 -22.974 12.083 19.369 925 HB3 HIS 119 3HB HIS 119 -21.239 12.312 19.585 926 HD1 HIS 119 HD1 HIS 119 -20.394 14.900 19.240 927 HD2 HIS 119 HD2 HIS 119 -24.462 14.336 19.963 928 HE1 HIS 119 HE1 HIS 119 -21.309 17.143 19.986 929 H HIS 120 H HIS 120 -22.303 12.631 15.066 930 HA HIS 120 HA HIS 120 -23.860 13.611 13.624 931 HB2 HIS 120 2HB HIS 120 -25.326 11.936 14.664 932 HB3 HIS 120 3HB HIS 120 -25.694 13.056 15.974 933 HD1 HIS 120 HD1 HIS 120 -26.075 12.765 12.200 934 HD2 HIS 120 HD2 HIS 120 -27.742 14.850 15.402 935 HE1 HIS 120 HE1 HIS 120 -28.059 14.036 11.271 Start of MODEL 15 1 H1 MET 1 1H MET 1 12.417 3.674 9.851 2 H2 MET 1 2H MET 1 12.716 4.971 10.905 3 H3 MET 1 3H MET 1 12.679 5.228 9.226 4 HA MET 1 HA MET 1 10.428 4.635 11.048 5 HB2 MET 1 2HB MET 1 10.640 6.755 8.909 6 HB3 MET 1 3HB MET 1 9.567 6.709 10.310 7 HG2 MET 1 2HG MET 1 11.227 8.235 10.974 8 HG3 MET 1 3HG MET 1 11.770 6.726 11.710 9 HE1 MET 1 3HE MET 1 14.347 7.734 11.878 10 HE2 MET 1 1HE MET 1 13.431 9.162 11.379 11 HE3 MET 1 2HE MET 1 14.940 8.753 10.569 12 H ALA 2 H ALA 2 8.507 3.893 10.152 13 HA ALA 2 HA ALA 2 8.713 2.189 7.850 14 HB1 ALA 2 3HB ALA 2 7.140 1.918 9.826 15 HB2 ALA 2 1HB ALA 2 6.406 1.675 8.240 16 HB3 ALA 2 2HB ALA 2 6.156 3.191 9.107 17 H GLU 3 H GLU 3 8.094 2.506 5.743 18 HA GLU 3 HA GLU 3 6.548 4.886 4.979 19 HB2 GLU 3 2HB GLU 3 8.260 5.791 3.484 20 HB3 GLU 3 3HB GLU 3 8.868 5.756 5.138 21 HG2 GLU 3 2HG GLU 3 9.989 3.572 4.620 22 HG3 GLU 3 3HG GLU 3 9.481 3.756 2.942 23 H ILE 4 H ILE 4 5.470 4.550 3.086 24 HA ILE 4 HA ILE 4 6.019 1.991 1.617 25 HB ILE 4 HB ILE 4 3.428 3.543 1.881 26 HG12 ILE 4 2HG1 ILE 4 2.958 1.111 3.041 27 HG13 ILE 4 3HG1 ILE 4 4.666 1.289 3.433 28 HG21 ILE 4 1HG2 ILE 4 4.179 0.961 0.494 29 HG22 ILE 4 2HG2 ILE 4 3.480 2.408 -0.230 30 HG23 ILE 4 3HG2 ILE 4 2.512 1.406 0.853 31 HD11 ILE 4 3HD1 ILE 4 2.388 3.130 4.172 32 HD12 ILE 4 1HD1 ILE 4 4.074 3.623 4.301 33 HD13 ILE 4 2HD1 ILE 4 3.480 2.264 5.252 34 H GLN 5 H GLN 5 6.563 2.157 -0.478 35 HA GLN 5 HA GLN 5 5.747 4.537 -2.038 36 HB2 GLN 5 2HB GLN 5 8.164 4.798 -2.830 37 HB3 GLN 5 3HB GLN 5 7.820 5.360 -1.195 38 HG2 GLN 5 2HG GLN 5 8.669 3.239 -0.274 39 HG3 GLN 5 3HG GLN 5 8.995 2.654 -1.906 40 HE21 GLN 5 1HE2 GLN 5 10.938 3.258 0.355 41 HE22 GLN 5 2HE2 GLN 5 12.041 4.367 -0.306 42 H PHE 6 H PHE 6 5.682 4.135 -4.238 43 HA PHE 6 HA PHE 6 5.350 1.427 -5.107 44 HB2 PHE 6 2HB PHE 6 5.760 4.012 -6.638 45 HB3 PHE 6 3HB PHE 6 5.356 2.481 -7.412 46 HD1 PHE 6 HD2 PHE 6 3.161 1.441 -7.086 47 HD2 PHE 6 HD1 PHE 6 4.139 5.203 -5.256 48 HE1 PHE 6 HE2 PHE 6 0.762 1.823 -6.588 49 HE2 PHE 6 HE1 PHE 6 1.741 5.586 -4.761 50 HZ PHE 6 HZ PHE 6 0.051 3.894 -5.426 51 H SER 7 H SER 7 7.981 3.772 -5.596 52 HA SER 7 HA SER 7 9.695 1.577 -6.695 53 HB2 SER 7 2HB SER 7 9.788 4.577 -6.922 54 HB3 SER 7 3HB SER 7 11.189 3.585 -7.317 55 HG SER 7 HG SER 7 9.201 2.410 -8.480 56 H LYS 8 H LYS 8 11.900 1.448 -5.955 57 HA LYS 8 HA LYS 8 12.134 1.552 -3.090 58 HB2 LYS 8 2HB LYS 8 14.191 1.097 -5.263 59 HB3 LYS 8 3HB LYS 8 14.527 0.913 -3.542 60 HG2 LYS 8 2HG LYS 8 12.754 -0.793 -3.371 61 HG3 LYS 8 3HG LYS 8 12.403 -0.606 -5.090 62 HD2 LYS 8 2HD LYS 8 14.744 -1.290 -5.609 63 HD3 LYS 8 3HD LYS 8 15.020 -1.564 -3.889 64 HE2 LYS 8 2HE LYS 8 12.920 -2.967 -5.570 65 HE3 LYS 8 3HE LYS 8 14.451 -3.673 -5.053 66 HZ1 LYS 8 3HZ LYS 8 13.007 -4.396 -3.436 67 HZ2 LYS 8 1HZ LYS 8 12.094 -2.968 -3.442 68 HZ3 LYS 8 2HZ LYS 8 13.629 -2.988 -2.715 69 H GLY 9 H GLY 9 12.945 3.091 -1.798 70 HA2 GLY 9 2HA GLY 9 13.597 5.253 -1.154 71 HA3 GLY 9 3HA GLY 9 14.970 4.934 -2.210 72 H VAL 10 H VAL 10 11.785 6.387 -2.028 73 HA VAL 10 HA VAL 10 12.172 7.677 -4.698 74 HB VAL 10 HB VAL 10 9.778 7.339 -2.877 75 HG11 VAL 10 1HG1 VAL 10 10.151 9.084 -5.320 76 HG12 VAL 10 2HG1 VAL 10 9.486 9.536 -3.752 77 HG13 VAL 10 3HG1 VAL 10 8.560 8.498 -4.835 78 HG21 VAL 10 3HG2 VAL 10 8.907 6.018 -4.684 79 HG22 VAL 10 1HG2 VAL 10 10.565 5.474 -4.422 80 HG23 VAL 10 2HG2 VAL 10 10.192 6.551 -5.768 81 H ALA 11 H ALA 11 10.508 8.849 -1.788 82 HA ALA 11 HA ALA 11 12.423 10.846 -1.057 83 HB1 ALA 11 3HB ALA 11 11.992 11.944 -3.148 84 HB2 ALA 11 1HB ALA 11 11.085 12.837 -1.929 85 HB3 ALA 11 2HB ALA 11 10.254 11.695 -2.983 86 H GLU 12 H GLU 12 9.220 12.024 -1.404 87 HA GLU 12 HA GLU 12 8.785 12.440 1.348 88 HB2 GLU 12 2HB GLU 12 6.757 12.126 -0.882 89 HB3 GLU 12 3HB GLU 12 6.380 12.752 0.722 90 HG2 GLU 12 2HG GLU 12 8.452 13.947 -1.144 91 HG3 GLU 12 3HG GLU 12 6.812 14.565 -0.947 92 H THR 13 H THR 13 7.740 11.331 2.944 93 HA THR 13 HA THR 13 7.701 8.431 2.744 94 HB THR 13 HB THR 13 6.777 10.316 4.933 95 HG1 THR 13 HG1 THR 13 8.772 10.118 5.682 96 HG21 THR 13 3HG2 THR 13 7.092 8.197 6.338 97 HG22 THR 13 1HG2 THR 13 7.071 7.314 4.812 98 HG23 THR 13 2HG2 THR 13 5.663 8.252 5.307 99 H VAL 14 H VAL 14 5.406 10.919 2.199 100 HA VAL 14 HA VAL 14 3.124 10.898 1.713 101 HB VAL 14 HB VAL 14 3.489 7.963 1.133 102 HG11 VAL 14 1HG1 VAL 14 1.211 8.885 0.924 103 HG12 VAL 14 2HG1 VAL 14 1.860 8.490 -0.667 104 HG13 VAL 14 3HG1 VAL 14 1.822 10.166 -0.122 105 HG21 VAL 14 3HG2 VAL 14 5.391 9.108 0.142 106 HG22 VAL 14 1HG2 VAL 14 4.337 10.360 -0.514 107 HG23 VAL 14 2HG2 VAL 14 4.242 8.713 -1.137 108 H VAL 15 H VAL 15 1.021 10.127 2.474 109 HA VAL 15 HA VAL 15 1.113 8.381 4.899 110 HB VAL 15 HB VAL 15 -0.505 10.085 5.953 111 HG11 VAL 15 1HG1 VAL 15 1.441 11.525 6.686 112 HG12 VAL 15 2HG1 VAL 15 2.425 10.698 5.478 113 HG13 VAL 15 3HG1 VAL 15 1.727 9.791 6.820 114 HG21 VAL 15 3HG2 VAL 15 0.853 11.943 3.979 115 HG22 VAL 15 1HG2 VAL 15 -0.401 12.350 5.149 116 HG23 VAL 15 2HG2 VAL 15 -0.790 11.344 3.755 117 HA PRO 16 HA PRO 16 -2.492 7.444 2.124 118 HB2 PRO 16 2HB PRO 16 -1.965 4.820 1.685 119 HB3 PRO 16 3HB PRO 16 -1.177 6.111 0.753 120 HG2 PRO 16 2HG PRO 16 -0.115 4.510 3.039 121 HG3 PRO 16 3HG PRO 16 0.706 5.047 1.562 122 HD2 PRO 16 2HD PRO 16 0.941 6.310 4.021 123 HD3 PRO 16 3HD PRO 16 1.237 7.112 2.463 124 H GLU 17 H GLU 17 -4.426 6.459 2.753 125 HA GLU 17 HA GLU 17 -4.687 5.806 5.573 126 HB2 GLU 17 2HB GLU 17 -6.656 5.644 3.275 127 HB3 GLU 17 3HB GLU 17 -7.082 5.383 4.966 128 HG2 GLU 17 2HG GLU 17 -5.827 7.919 3.876 129 HG3 GLU 17 3HG GLU 17 -7.546 7.717 4.210 130 H VAL 18 H VAL 18 -5.684 3.798 6.348 131 HA VAL 18 HA VAL 18 -4.720 1.408 4.805 132 HB VAL 18 HB VAL 18 -5.011 1.911 7.777 133 HG11 VAL 18 1HG1 VAL 18 -5.718 -0.346 7.472 134 HG12 VAL 18 2HG1 VAL 18 -4.013 -0.451 7.910 135 HG13 VAL 18 3HG1 VAL 18 -4.505 -0.635 6.226 136 HG21 VAL 18 3HG2 VAL 18 -2.976 2.822 6.810 137 HG22 VAL 18 1HG2 VAL 18 -2.665 1.313 5.952 138 HG23 VAL 18 2HG2 VAL 18 -2.560 1.365 7.712 139 H ARG 19 H ARG 19 -6.218 -0.051 4.213 140 HA ARG 19 HA ARG 19 -8.933 0.026 5.494 141 HB2 ARG 19 2HB ARG 19 -8.228 -0.209 2.560 142 HB3 ARG 19 3HB ARG 19 -9.832 -0.546 3.211 143 HG2 ARG 19 2HG ARG 19 -10.010 1.728 4.065 144 HG3 ARG 19 3HG ARG 19 -8.362 2.085 3.544 145 HD2 ARG 19 2HD ARG 19 -9.950 2.965 1.902 146 HD3 ARG 19 3HD ARG 19 -9.041 1.635 1.188 147 HE ARG 19 HE ARG 19 -11.488 0.673 2.381 148 HH11 ARG 19 1HH2 ARG 19 -10.168 2.364 -0.329 149 HH12 ARG 19 2HH2 ARG 19 -11.435 1.881 -1.406 150 HH21 ARG 19 1HH1 ARG 19 -13.135 0.040 0.986 151 HH22 ARG 19 2HH1 ARG 19 -13.111 0.569 -0.664 152 H LEU 20 H LEU 20 -9.809 -1.946 5.941 153 HA LEU 20 HA LEU 20 -8.074 -4.325 5.508 154 HB2 LEU 20 2HB LEU 20 -10.306 -3.640 7.412 155 HB3 LEU 20 3HB LEU 20 -9.867 -5.326 7.149 156 HG LEU 20 HG LEU 20 -8.678 -4.247 9.090 157 HD11 LEU 20 1HD1 LEU 20 -7.714 -6.118 7.401 158 HD12 LEU 20 2HD1 LEU 20 -6.760 -5.481 8.735 159 HD13 LEU 20 3HD1 LEU 20 -6.512 -4.860 7.106 160 HD21 LEU 20 3HD2 LEU 20 -7.099 -2.736 7.003 161 HD22 LEU 20 1HD2 LEU 20 -7.093 -2.510 8.751 162 HD23 LEU 20 2HD2 LEU 20 -8.494 -2.012 7.803 163 H SER 21 H SER 21 -8.662 -5.976 4.225 164 HA SER 21 HA SER 21 -11.447 -6.036 3.120 165 HB2 SER 21 2HB SER 21 -9.966 -4.959 1.469 166 HB3 SER 21 3HB SER 21 -8.872 -6.337 1.548 167 HG SER 21 HG SER 21 -11.620 -6.614 0.944 168 H LYS 22 H LYS 22 -12.250 -8.088 2.789 169 HA LYS 22 HA LYS 22 -10.616 -10.339 3.870 170 HB2 LYS 22 2HB LYS 22 -13.591 -10.146 3.340 171 HB3 LYS 22 3HB LYS 22 -12.771 -11.509 4.099 172 HG2 LYS 22 2HG LYS 22 -12.752 -8.676 5.183 173 HG3 LYS 22 3HG LYS 22 -13.824 -9.953 5.754 174 HD2 LYS 22 2HD LYS 22 -11.620 -11.312 6.128 175 HD3 LYS 22 3HD LYS 22 -10.826 -9.742 6.033 176 HE2 LYS 22 2HE LYS 22 -13.089 -10.398 7.929 177 HE3 LYS 22 3HE LYS 22 -11.381 -10.387 8.363 178 HZ1 LYS 22 3HZ LYS 22 -11.470 -8.021 7.328 179 HZ2 LYS 22 1HZ LYS 22 -11.993 -8.271 8.921 180 HZ3 LYS 22 2HZ LYS 22 -13.131 -8.137 7.667 181 H SER 23 H SER 23 -10.725 -12.394 2.823 182 HA SER 23 HA SER 23 -10.202 -12.253 0.008 183 HB2 SER 23 2HB SER 23 -10.193 -14.784 0.205 184 HB3 SER 23 3HB SER 23 -9.111 -13.948 1.313 185 HG SER 23 HG SER 23 -10.874 -14.081 2.861 186 H LYS 24 H LYS 24 -11.367 -13.630 -1.606 187 HA LYS 24 HA LYS 24 -14.109 -12.867 -1.824 188 HB2 LYS 24 2HB LYS 24 -12.532 -15.046 -3.218 189 HB3 LYS 24 3HB LYS 24 -14.159 -14.553 -3.689 190 HG2 LYS 24 2HG LYS 24 -13.364 -12.265 -4.103 191 HG3 LYS 24 3HG LYS 24 -11.748 -12.719 -3.571 192 HD2 LYS 24 2HD LYS 24 -11.641 -12.844 -5.940 193 HD3 LYS 24 3HD LYS 24 -11.817 -14.516 -5.412 194 HE2 LYS 24 2HE LYS 24 -14.128 -14.569 -6.003 195 HE3 LYS 24 3HE LYS 24 -14.205 -12.816 -6.170 196 HZ1 LYS 24 3HZ LYS 24 -12.192 -13.800 -7.850 197 HZ2 LYS 24 1HZ LYS 24 -13.633 -13.015 -8.276 198 HZ3 LYS 24 2HZ LYS 24 -13.602 -14.707 -8.121 199 H ASN 25 H ASN 25 -12.564 -15.870 -0.764 200 HA ASN 25 HA ASN 25 -15.201 -17.108 -0.202 201 HB2 ASN 25 2HB ASN 25 -12.351 -18.107 0.101 202 HB3 ASN 25 3HB ASN 25 -13.782 -19.068 0.477 203 HD21 ASN 25 1HD2 ASN 25 -11.584 -19.018 -1.843 204 HD22 ASN 25 2HD2 ASN 25 -12.536 -19.251 -3.230 205 H GLY 26 H GLY 26 -13.055 -15.045 1.348 206 HA2 GLY 26 2HA GLY 26 -13.061 -14.238 3.567 207 HA3 GLY 26 3HA GLY 26 -14.426 -15.303 3.902 208 H GLN 27 H GLN 27 -11.739 -16.824 2.455 209 HA GLN 27 HA GLN 27 -11.278 -18.474 4.811 210 HB2 GLN 27 2HB GLN 27 -9.926 -18.298 2.109 211 HB3 GLN 27 3HB GLN 27 -9.422 -19.438 3.355 212 HG2 GLN 27 2HG GLN 27 -11.661 -20.432 3.387 213 HG3 GLN 27 3HG GLN 27 -12.220 -19.256 2.199 214 HE21 GLN 27 1HE2 GLN 27 -12.645 -21.598 1.138 215 HE22 GLN 27 2HE2 GLN 27 -11.405 -22.148 0.116 216 H SER 28 H SER 28 -8.725 -16.913 2.895 217 HA SER 28 HA SER 28 -7.107 -16.518 5.297 218 HB2 SER 28 2HB SER 28 -5.608 -15.290 3.579 219 HB3 SER 28 3HB SER 28 -5.855 -17.019 3.351 220 HG SER 28 HG SER 28 -6.607 -14.915 1.791 221 H GLY 29 H GLY 29 -7.083 -13.963 2.968 222 HA2 GLY 29 2HA GLY 29 -8.804 -12.018 3.622 223 HA3 GLY 29 3HA GLY 29 -7.831 -12.030 5.093 224 H MET 30 H MET 30 -7.801 -9.716 3.750 225 HA MET 30 HA MET 30 -5.007 -9.503 2.896 226 HB2 MET 30 2HB MET 30 -5.884 -8.236 0.733 227 HB3 MET 30 3HB MET 30 -5.683 -9.986 0.719 228 HG2 MET 30 2HG MET 30 -8.040 -10.329 1.145 229 HG3 MET 30 3HG MET 30 -8.293 -8.603 1.401 230 HE1 MET 30 3HE MET 30 -6.965 -11.276 -0.715 231 HE2 MET 30 1HE MET 30 -7.119 -10.784 -2.407 232 HE3 MET 30 2HE MET 30 -8.523 -11.379 -1.527 233 H ALA 31 H ALA 31 -4.638 -7.100 2.173 234 HA ALA 31 HA ALA 31 -6.401 -5.240 3.719 235 HB1 ALA 31 3HB ALA 31 -3.389 -5.499 3.900 236 HB2 ALA 31 1HB ALA 31 -4.558 -5.673 5.208 237 HB3 ALA 31 2HB ALA 31 -4.274 -4.090 4.484 238 H LYS 32 H LYS 32 -6.575 -3.208 2.790 239 HA LYS 32 HA LYS 32 -5.195 -2.827 0.154 240 HB2 LYS 32 2HB LYS 32 -7.956 -1.999 1.059 241 HB3 LYS 32 3HB LYS 32 -7.211 -1.450 -0.445 242 HG2 LYS 32 2HG LYS 32 -6.936 -3.805 -1.158 243 HG3 LYS 32 3HG LYS 32 -7.718 -4.339 0.331 244 HD2 LYS 32 2HD LYS 32 -9.754 -3.063 -0.307 245 HD3 LYS 32 3HD LYS 32 -8.971 -2.614 -1.823 246 HE2 LYS 32 2HE LYS 32 -9.412 -5.479 -0.942 247 HE3 LYS 32 3HE LYS 32 -10.499 -4.605 -2.021 248 HZ1 LYS 32 3HZ LYS 32 -8.963 -5.861 -3.324 249 HZ2 LYS 32 1HZ LYS 32 -7.633 -5.219 -2.491 250 HZ3 LYS 32 2HZ LYS 32 -8.570 -4.216 -3.493 251 H PHE 33 H PHE 33 -4.292 -0.867 -0.283 252 HA PHE 33 HA PHE 33 -4.225 1.139 1.952 253 HB2 PHE 33 2HB PHE 33 -2.117 0.302 -0.052 254 HB3 PHE 33 3HB PHE 33 -1.979 1.754 0.940 255 HD1 PHE 33 HD2 PHE 33 -2.219 -1.945 1.023 256 HD2 PHE 33 HD1 PHE 33 -1.497 1.630 3.292 257 HE1 PHE 33 HE2 PHE 33 -1.410 -3.315 2.925 258 HE2 PHE 33 HE1 PHE 33 -0.691 0.260 5.194 259 HZ PHE 33 HZ PHE 33 -0.646 -2.213 5.011 260 H TYR 34 H TYR 34 -5.022 3.094 1.437 261 HA TYR 34 HA TYR 34 -5.585 3.699 -1.437 262 HB2 TYR 34 2HB TYR 34 -7.446 3.707 0.313 263 HB3 TYR 34 3HB TYR 34 -6.678 5.149 0.981 264 HD1 TYR 34 HD2 TYR 34 -8.221 3.707 -2.071 265 HD2 TYR 34 HD1 TYR 34 -6.879 7.275 -0.095 266 HE1 TYR 34 HE2 TYR 34 -9.297 5.083 -3.831 267 HE2 TYR 34 HE1 TYR 34 -7.952 8.653 -1.856 268 HH TYR 34 HH TYR 34 -9.590 7.134 -4.633 269 H PHE 35 H PHE 35 -4.539 5.317 -2.420 270 HA PHE 35 HA PHE 35 -2.749 7.091 -0.786 271 HB2 PHE 35 2HB PHE 35 -2.536 6.027 -3.609 272 HB3 PHE 35 3HB PHE 35 -1.527 7.345 -3.010 273 HD1 PHE 35 HD1 PHE 35 -2.561 3.827 -2.251 274 HD2 PHE 35 HD2 PHE 35 0.420 6.883 -1.762 275 HE1 PHE 35 HE1 PHE 35 -1.048 2.182 -1.178 276 HE2 PHE 35 HE2 PHE 35 1.932 5.236 -0.691 277 HZ PHE 35 HZ PHE 35 1.197 2.886 -0.401 278 H LEU 36 H LEU 36 -3.294 9.190 -0.764 279 HA LEU 36 HA LEU 36 -5.337 10.153 -2.699 280 HB2 LEU 36 2HB LEU 36 -5.792 10.430 -0.271 281 HB3 LEU 36 3HB LEU 36 -4.349 11.435 -0.135 282 HG LEU 36 HG LEU 36 -5.321 13.013 -1.802 283 HD11 LEU 36 1HD1 LEU 36 -7.519 10.960 -1.786 284 HD12 LEU 36 2HD1 LEU 36 -6.817 11.837 -3.146 285 HD13 LEU 36 3HD1 LEU 36 -7.933 12.652 -2.060 286 HD21 LEU 36 3HD2 LEU 36 -5.650 13.561 0.511 287 HD22 LEU 36 1HD2 LEU 36 -6.959 12.388 0.666 288 HD23 LEU 36 2HD2 LEU 36 -7.187 13.841 -0.306 289 H GLU 37 H GLU 37 -4.769 11.429 -4.309 290 HA GLU 37 HA GLU 37 -3.316 12.574 -5.777 291 HB2 GLU 37 2HB GLU 37 -3.271 14.268 -3.263 292 HB3 GLU 37 3HB GLU 37 -2.767 14.828 -4.860 293 HG2 GLU 37 2HG GLU 37 -4.961 14.578 -5.756 294 HG3 GLU 37 3HG GLU 37 -5.500 13.627 -4.373 295 HA PRO 38 HA PRO 38 0.606 11.056 -3.639 296 HB2 PRO 38 2HB PRO 38 1.180 9.033 -5.430 297 HB3 PRO 38 3HB PRO 38 0.250 8.803 -3.937 298 HG2 PRO 38 2HG PRO 38 -0.720 9.096 -6.743 299 HG3 PRO 38 3HG PRO 38 -1.332 8.065 -5.437 300 HD2 PRO 38 2HD PRO 38 -2.541 10.418 -6.170 301 HD3 PRO 38 3HD PRO 38 -2.623 9.759 -4.523 302 H THR 39 H THR 39 2.697 11.483 -4.355 303 HA THR 39 HA THR 39 2.935 13.369 -6.556 304 HB THR 39 HB THR 39 4.388 13.936 -4.833 305 HG1 THR 39 HG1 THR 39 6.200 13.858 -5.867 306 HG21 THR 39 3HG2 THR 39 4.739 10.955 -4.473 307 HG22 THR 39 1HG2 THR 39 4.068 12.124 -3.332 308 HG23 THR 39 2HG2 THR 39 5.797 12.119 -3.675 309 H ILE 40 H ILE 40 3.315 9.956 -6.236 310 HA ILE 40 HA ILE 40 5.298 9.493 -8.239 311 HB ILE 40 HB ILE 40 4.223 7.853 -6.527 312 HG12 ILE 40 2HG1 ILE 40 4.632 5.906 -8.087 313 HG13 ILE 40 3HG1 ILE 40 4.793 7.069 -9.401 314 HG21 ILE 40 1HG2 ILE 40 1.892 8.333 -7.544 315 HG22 ILE 40 2HG2 ILE 40 2.292 6.662 -7.154 316 HG23 ILE 40 3HG2 ILE 40 2.373 7.220 -8.824 317 HD11 ILE 40 3HD1 ILE 40 6.850 7.801 -8.684 318 HD12 ILE 40 1HD1 ILE 40 6.909 6.198 -7.954 319 HD13 ILE 40 2HD1 ILE 40 6.463 7.594 -6.977 320 H LEU 41 H LEU 41 2.465 11.077 -8.629 321 HA LEU 41 HA LEU 41 1.723 9.919 -11.252 322 HB2 LEU 41 2HB LEU 41 0.653 12.334 -9.759 323 HB3 LEU 41 3HB LEU 41 -0.050 11.643 -11.221 324 HG LEU 41 HG LEU 41 0.283 10.178 -8.584 325 HD11 LEU 41 1HD1 LEU 41 -1.426 11.856 -8.329 326 HD12 LEU 41 2HD1 LEU 41 -2.245 10.314 -8.579 327 HD13 LEU 41 3HD1 LEU 41 -2.118 11.469 -9.904 328 HD21 LEU 41 3HD2 LEU 41 0.271 8.468 -10.175 329 HD22 LEU 41 1HD2 LEU 41 -0.711 9.387 -11.317 330 HD23 LEU 41 2HD2 LEU 41 -1.457 8.655 -9.897 331 H ALA 42 H ALA 42 3.934 12.153 -10.050 332 HA ALA 42 HA ALA 42 3.991 13.724 -12.604 333 HB1 ALA 42 3HB ALA 42 3.891 14.951 -10.392 334 HB2 ALA 42 1HB ALA 42 5.281 15.367 -11.394 335 HB3 ALA 42 2HB ALA 42 5.476 14.273 -10.025 336 H LYS 43 H LYS 43 5.764 11.467 -10.612 337 HA LYS 43 HA LYS 43 8.246 11.776 -12.181 338 HB2 LYS 43 2HB LYS 43 7.457 9.879 -9.954 339 HB3 LYS 43 3HB LYS 43 9.046 9.891 -10.720 340 HG2 LYS 43 2HG LYS 43 9.339 12.257 -10.053 341 HG3 LYS 43 3HG LYS 43 7.762 12.222 -9.265 342 HD2 LYS 43 2HD LYS 43 8.546 10.442 -7.751 343 HD3 LYS 43 3HD LYS 43 10.123 10.457 -8.543 344 HE2 LYS 43 2HE LYS 43 10.432 12.819 -7.883 345 HE3 LYS 43 3HE LYS 43 8.859 12.799 -7.084 346 HZ1 LYS 43 3HZ LYS 43 11.204 11.112 -6.390 347 HZ2 LYS 43 1HZ LYS 43 9.680 11.005 -5.654 348 HZ3 LYS 43 2HZ LYS 43 10.603 12.421 -5.488 349 H GLU 44 H GLU 44 6.506 8.788 -11.301 350 HA GLU 44 HA GLU 44 6.979 7.804 -14.096 351 HB2 GLU 44 2HB GLU 44 6.517 6.290 -11.514 352 HB3 GLU 44 3HB GLU 44 6.744 5.542 -13.096 353 HG2 GLU 44 2HG GLU 44 8.749 7.376 -11.747 354 HG3 GLU 44 3HG GLU 44 8.856 5.615 -11.773 355 H SER 45 H SER 45 5.319 6.964 -15.282 356 HA SER 45 HA SER 45 2.631 7.850 -14.619 357 HB2 SER 45 2HB SER 45 3.367 7.889 -16.934 358 HB3 SER 45 3HB SER 45 3.713 6.163 -16.890 359 HG SER 45 HG SER 45 1.564 7.045 -17.743 360 H THR 46 H THR 46 0.772 6.280 -14.875 361 HA THR 46 HA THR 46 0.922 4.229 -12.875 362 HB THR 46 HB THR 46 -1.359 3.627 -13.683 363 HG1 THR 46 HG1 THR 46 -0.560 5.372 -15.744 364 HG21 THR 46 3HG2 THR 46 -1.059 6.632 -13.618 365 HG22 THR 46 1HG2 THR 46 -0.840 5.637 -12.178 366 HG23 THR 46 2HG2 THR 46 -2.396 5.656 -13.006 367 H ASP 47 H ASP 47 1.283 4.212 -16.358 368 HA ASP 47 HA ASP 47 1.032 1.389 -16.791 369 HB2 ASP 47 2HB ASP 47 1.024 3.064 -18.621 370 HB3 ASP 47 3HB ASP 47 2.721 3.411 -18.291 371 H ASP 48 H ASP 48 3.751 3.438 -15.851 372 HA ASP 48 HA ASP 48 5.721 1.290 -16.010 373 HB2 ASP 48 2HB ASP 48 5.744 4.032 -14.718 374 HB3 ASP 48 3HB ASP 48 7.134 2.951 -14.702 375 H ILE 49 H ILE 49 3.238 2.033 -13.843 376 HA ILE 49 HA ILE 49 4.660 0.809 -11.516 377 HB ILE 49 HB ILE 49 2.020 2.283 -11.711 378 HG12 ILE 49 2HG1 ILE 49 4.597 2.998 -10.280 379 HG13 ILE 49 3HG1 ILE 49 4.173 3.599 -11.881 380 HG21 ILE 49 1HG2 ILE 49 3.381 0.842 -9.428 381 HG22 ILE 49 2HG2 ILE 49 1.712 0.691 -9.978 382 HG23 ILE 49 3HG2 ILE 49 2.234 2.150 -9.141 383 HD11 ILE 49 3HD1 ILE 49 2.014 4.473 -10.847 384 HD12 ILE 49 1HD1 ILE 49 3.487 5.287 -10.322 385 HD13 ILE 49 2HD1 ILE 49 2.715 4.095 -9.276 386 H THR 50 H THR 50 4.429 -1.314 -11.275 387 HA THR 50 HA THR 50 1.781 -2.579 -11.779 388 HB THR 50 HB THR 50 2.877 -3.162 -13.800 389 HG1 THR 50 HG1 THR 50 2.576 -5.196 -13.496 390 HG21 THR 50 3HG2 THR 50 5.105 -2.309 -13.219 391 HG22 THR 50 1HG2 THR 50 5.221 -3.938 -13.885 392 HG23 THR 50 2HG2 THR 50 5.363 -3.686 -12.146 393 H GLY 51 H GLY 51 3.453 -1.753 -9.411 394 HA2 GLY 51 2HA GLY 51 2.938 -4.023 -7.759 395 HA3 GLY 51 3HA GLY 51 4.658 -3.992 -8.146 396 H MET 52 H MET 52 3.822 -3.695 -5.517 397 HA MET 52 HA MET 52 4.583 -0.850 -4.966 398 HB2 MET 52 2HB MET 52 2.126 -1.139 -4.657 399 HB3 MET 52 3HB MET 52 2.451 -2.400 -3.467 400 HG2 MET 52 2HG MET 52 3.689 -0.801 -2.076 401 HG3 MET 52 3HG MET 52 3.436 0.462 -3.282 402 HE1 MET 52 3HE MET 52 1.461 2.178 -3.010 403 HE2 MET 52 1HE MET 52 -0.128 1.425 -3.191 404 HE3 MET 52 2HE MET 52 1.193 0.964 -4.257 405 H TYR 53 H TYR 53 6.168 -0.681 -3.468 406 HA TYR 53 HA TYR 53 6.975 -3.159 -1.973 407 HB2 TYR 53 2HB TYR 53 8.788 -0.808 -2.500 408 HB3 TYR 53 3HB TYR 53 9.218 -2.490 -2.179 409 HD1 TYR 53 HD2 TYR 53 7.591 -4.042 -3.993 410 HD2 TYR 53 HD1 TYR 53 9.496 -0.256 -4.670 411 HE1 TYR 53 HE2 TYR 53 7.632 -4.507 -6.417 412 HE2 TYR 53 HE1 TYR 53 9.536 -0.723 -7.107 413 HH TYR 53 HH TYR 53 8.183 -2.173 -8.722 414 H LEU 54 H LEU 54 6.585 -3.084 0.116 415 HA LEU 54 HA LEU 54 6.146 -0.485 1.488 416 HB2 LEU 54 2HB LEU 54 5.693 -3.343 2.408 417 HB3 LEU 54 3HB LEU 54 5.243 -1.892 3.305 418 HG LEU 54 HG LEU 54 4.007 -1.319 0.958 419 HD11 LEU 54 1HD1 LEU 54 2.970 -3.366 0.046 420 HD12 LEU 54 2HD1 LEU 54 3.947 -4.349 1.136 421 HD13 LEU 54 3HD1 LEU 54 4.719 -3.412 -0.139 422 HD21 LEU 54 3HD2 LEU 54 2.903 -3.148 3.114 423 HD22 LEU 54 1HD2 LEU 54 1.932 -2.236 1.956 424 HD23 LEU 54 2HD2 LEU 54 2.911 -1.384 3.148 425 H ILE 55 H ILE 55 8.007 0.370 2.265 426 HA ILE 55 HA ILE 55 10.145 -1.440 3.290 427 HB ILE 55 HB ILE 55 10.103 1.514 2.616 428 HG12 ILE 55 2HG1 ILE 55 11.784 0.754 0.910 429 HG13 ILE 55 3HG1 ILE 55 11.471 -0.908 1.404 430 HG21 ILE 55 1HG2 ILE 55 11.599 1.301 4.472 431 HG22 ILE 55 2HG2 ILE 55 12.610 1.305 3.028 432 HG23 ILE 55 3HG2 ILE 55 12.258 -0.213 3.854 433 HD11 ILE 55 3HD1 ILE 55 9.375 -0.953 0.434 434 HD12 ILE 55 1HD1 ILE 55 10.165 0.193 -0.645 435 HD13 ILE 55 2HD1 ILE 55 9.111 0.778 0.640 436 H ASP 56 H ASP 56 10.397 -1.713 5.416 437 HA ASP 56 HA ASP 56 10.028 0.357 7.370 438 HB2 ASP 56 2HB ASP 56 7.638 -0.080 6.889 439 HB3 ASP 56 3HB ASP 56 7.880 -1.780 7.290 440 H ASP 57 H ASP 57 11.135 -0.176 9.162 441 HA ASP 57 HA ASP 57 12.505 -1.389 10.599 442 HB2 ASP 57 2HB ASP 57 10.440 -3.503 9.936 443 HB3 ASP 57 3HB ASP 57 11.723 -3.747 11.120 444 H GLU 58 H GLU 58 13.457 -1.128 8.016 445 HA GLU 58 HA GLU 58 15.207 -1.948 6.687 446 HB2 GLU 58 2HB GLU 58 16.089 -2.747 8.952 447 HB3 GLU 58 3HB GLU 58 15.360 -4.308 8.585 448 HG2 GLU 58 2HG GLU 58 16.675 -4.486 6.539 449 HG3 GLU 58 3HG GLU 58 17.390 -2.902 6.843 450 H GLY 59 H GLY 59 12.895 -4.379 7.798 451 HA2 GLY 59 2HA GLY 59 13.205 -6.139 5.547 452 HA3 GLY 59 3HA GLY 59 11.854 -6.145 6.678 453 H GLU 60 H GLU 60 11.749 -6.441 3.789 454 HA GLU 60 HA GLU 60 9.870 -4.202 3.214 455 HB2 GLU 60 2HB GLU 60 10.752 -3.989 0.933 456 HB3 GLU 60 3HB GLU 60 12.008 -3.641 2.119 457 HG2 GLU 60 2HG GLU 60 12.844 -5.974 1.887 458 HG3 GLU 60 3HG GLU 60 11.628 -6.266 0.643 459 H ILE 61 H ILE 61 8.178 -4.760 1.833 460 HA ILE 61 HA ILE 61 7.887 -7.688 1.231 461 HB ILE 61 HB ILE 61 5.776 -5.668 2.042 462 HG12 ILE 61 2HG1 ILE 61 6.722 -8.205 3.408 463 HG13 ILE 61 3HG1 ILE 61 7.297 -6.596 3.834 464 HG21 ILE 61 1HG2 ILE 61 4.804 -7.168 0.431 465 HG22 ILE 61 2HG2 ILE 61 4.305 -7.741 2.021 466 HG23 ILE 61 3HG2 ILE 61 5.607 -8.561 1.157 467 HD11 ILE 61 3HD1 ILE 61 4.923 -5.921 4.266 468 HD12 ILE 61 1HD1 ILE 61 5.491 -7.197 5.342 469 HD13 ILE 61 2HD1 ILE 61 4.439 -7.592 3.983 470 H ILE 62 H ILE 62 7.437 -8.188 -0.844 471 HA ILE 62 HA ILE 62 7.080 -5.941 -2.777 472 HB ILE 62 HB ILE 62 7.763 -8.817 -3.396 473 HG12 ILE 62 2HG1 ILE 62 9.461 -8.025 -1.858 474 HG13 ILE 62 3HG1 ILE 62 10.142 -7.992 -3.485 475 HG21 ILE 62 1HG2 ILE 62 7.003 -7.472 -5.293 476 HG22 ILE 62 2HG2 ILE 62 8.733 -7.779 -5.437 477 HG23 ILE 62 3HG2 ILE 62 8.160 -6.206 -4.883 478 HD11 ILE 62 3HD1 ILE 62 9.346 -5.527 -3.557 479 HD12 ILE 62 1HD1 ILE 62 10.754 -5.898 -2.566 480 HD13 ILE 62 2HD1 ILE 62 9.179 -5.673 -1.809 481 H THR 63 H THR 63 5.109 -5.621 -3.571 482 HA THR 63 HA THR 63 3.194 -7.931 -3.730 483 HB THR 63 HB THR 63 2.588 -5.023 -3.115 484 HG1 THR 63 HG1 THR 63 2.401 -7.385 -1.557 485 HG21 THR 63 3HG2 THR 63 0.743 -5.851 -4.338 486 HG22 THR 63 1HG2 THR 63 0.286 -6.085 -2.654 487 HG23 THR 63 2HG2 THR 63 0.864 -7.451 -3.606 488 H ARG 64 H ARG 64 2.541 -8.339 -5.737 489 HA ARG 64 HA ARG 64 3.028 -6.311 -7.866 490 HB2 ARG 64 2HB ARG 64 3.901 -8.761 -7.955 491 HB3 ARG 64 3HB ARG 64 2.232 -9.181 -8.329 492 HG2 ARG 64 2HG ARG 64 3.060 -8.843 -10.481 493 HG3 ARG 64 3HG ARG 64 2.475 -7.221 -10.120 494 HD2 ARG 64 2HD ARG 64 4.716 -7.021 -11.020 495 HD3 ARG 64 3HD ARG 64 4.799 -6.654 -9.298 496 HE ARG 64 HE ARG 64 5.298 -9.463 -9.879 497 HH11 ARG 64 1HH2 ARG 64 6.616 -6.279 -9.673 498 HH12 ARG 64 2HH2 ARG 64 8.232 -6.831 -9.377 499 HH21 ARG 64 1HH1 ARG 64 7.394 -10.189 -9.491 500 HH22 ARG 64 2HH1 ARG 64 8.670 -9.040 -9.275 501 H GLU 65 H GLU 65 0.836 -5.891 -6.143 502 HA GLU 65 HA GLU 65 -1.438 -6.262 -8.060 503 HB2 GLU 65 2HB GLU 65 -1.475 -6.672 -5.057 504 HB3 GLU 65 3HB GLU 65 -2.930 -6.525 -6.046 505 HG2 GLU 65 2HG GLU 65 -2.269 -8.459 -7.377 506 HG3 GLU 65 3HG GLU 65 -0.748 -8.583 -6.494 507 H VAL 66 H VAL 66 -0.999 -4.111 -8.738 508 HA VAL 66 HA VAL 66 -1.779 -1.999 -6.746 509 HB VAL 66 HB VAL 66 -0.426 -0.487 -8.415 510 HG11 VAL 66 1HG1 VAL 66 0.794 -2.430 -6.446 511 HG12 VAL 66 2HG1 VAL 66 0.304 -0.759 -6.159 512 HG13 VAL 66 3HG1 VAL 66 1.702 -1.104 -7.175 513 HG21 VAL 66 3HG2 VAL 66 1.334 -1.593 -9.623 514 HG22 VAL 66 1HG2 VAL 66 -0.158 -2.431 -10.045 515 HG23 VAL 66 2HG2 VAL 66 0.956 -3.146 -8.880 516 H LYS 67 H LYS 67 -3.494 -0.808 -7.287 517 HA LYS 67 HA LYS 67 -4.526 -0.950 -10.106 518 HB2 LYS 67 2HB LYS 67 -6.057 -0.936 -7.496 519 HB3 LYS 67 3HB LYS 67 -6.806 -0.744 -9.082 520 HG2 LYS 67 2HG LYS 67 -5.794 -2.931 -9.764 521 HG3 LYS 67 3HG LYS 67 -5.218 -3.137 -8.111 522 HD2 LYS 67 2HD LYS 67 -8.129 -2.687 -8.816 523 HD3 LYS 67 3HD LYS 67 -7.420 -4.290 -8.627 524 HE2 LYS 67 2HE LYS 67 -6.634 -3.466 -6.304 525 HE3 LYS 67 3HE LYS 67 -7.776 -2.142 -6.534 526 HZ1 LYS 67 3HZ LYS 67 -8.296 -5.006 -6.215 527 HZ2 LYS 67 1HZ LYS 67 -9.377 -4.081 -7.139 528 HZ3 LYS 67 2HZ LYS 67 -9.088 -3.677 -5.514 529 H GLY 68 H GLY 68 -4.938 0.957 -11.024 530 HA2 GLY 68 2HA GLY 68 -4.377 3.425 -9.475 531 HA3 GLY 68 3HA GLY 68 -4.452 3.295 -11.231 532 H LYS 69 H LYS 69 -5.936 4.857 -8.949 533 HA LYS 69 HA LYS 69 -8.734 4.335 -9.887 534 HB2 LYS 69 2HB LYS 69 -7.718 5.879 -7.481 535 HB3 LYS 69 3HB LYS 69 -9.413 5.595 -7.876 536 HG2 LYS 69 2HG LYS 69 -7.382 3.397 -7.377 537 HG3 LYS 69 3HG LYS 69 -8.518 3.989 -6.166 538 HD2 LYS 69 2HD LYS 69 -10.351 3.447 -7.939 539 HD3 LYS 69 3HD LYS 69 -9.101 2.477 -8.716 540 HE2 LYS 69 2HE LYS 69 -8.789 1.170 -6.692 541 HE3 LYS 69 3HE LYS 69 -9.967 2.167 -5.837 542 HZ1 LYS 69 3HZ LYS 69 -11.201 0.355 -6.537 543 HZ2 LYS 69 1HZ LYS 69 -10.411 0.249 -8.033 544 HZ3 LYS 69 2HZ LYS 69 -11.521 1.503 -7.748 545 H PHE 70 H PHE 70 -9.179 5.557 -11.585 546 HA PHE 70 HA PHE 70 -8.061 8.321 -11.766 547 HB2 PHE 70 2HB PHE 70 -9.458 6.669 -13.891 548 HB3 PHE 70 3HB PHE 70 -8.563 8.170 -14.134 549 HD1 PHE 70 HD1 PHE 70 -8.298 4.567 -13.413 550 HD2 PHE 70 HD2 PHE 70 -6.120 8.214 -14.040 551 HE1 PHE 70 HE1 PHE 70 -6.201 3.269 -13.678 552 HE2 PHE 70 HE2 PHE 70 -4.021 6.913 -14.297 553 HZ PHE 70 HZ PHE 70 -4.064 4.443 -14.119 554 H ILE 71 H ILE 71 -9.413 10.070 -11.830 555 HA ILE 71 HA ILE 71 -12.367 9.574 -11.582 556 HB ILE 71 HB ILE 71 -10.659 11.754 -10.353 557 HG12 ILE 71 2HG1 ILE 71 -12.337 9.595 -9.041 558 HG13 ILE 71 3HG1 ILE 71 -10.601 9.449 -9.306 559 HG21 ILE 71 1HG2 ILE 71 -12.772 12.725 -10.948 560 HG22 ILE 71 2HG2 ILE 71 -12.867 12.340 -9.231 561 HG23 ILE 71 3HG2 ILE 71 -13.649 11.292 -10.413 562 HD11 ILE 71 3HD1 ILE 71 -12.052 11.450 -7.563 563 HD12 ILE 71 1HD1 ILE 71 -10.366 11.660 -8.036 564 HD13 ILE 71 2HD1 ILE 71 -10.845 10.261 -7.075 565 H ASN 72 H ASN 72 -13.538 10.403 -13.173 566 HA ASN 72 HA ASN 72 -14.158 11.605 -15.069 567 HB2 ASN 72 2HB ASN 72 -12.489 13.698 -13.648 568 HB3 ASN 72 3HB ASN 72 -13.435 14.028 -15.097 569 HD21 ASN 72 1HD2 ASN 72 -13.755 14.837 -12.101 570 HD22 ASN 72 2HD2 ASN 72 -15.380 14.476 -11.773 571 H GLY 73 H GLY 73 -11.808 9.905 -15.239 572 HA2 GLY 73 2HA GLY 73 -10.268 9.372 -16.938 573 HA3 GLY 73 3HA GLY 73 -10.830 10.794 -17.816 574 H ARG 74 H ARG 74 -9.751 11.238 -14.555 575 HA ARG 74 HA ARG 74 -7.094 12.185 -15.537 576 HB2 ARG 74 2HB ARG 74 -8.684 14.090 -15.351 577 HB3 ARG 74 3HB ARG 74 -8.806 13.756 -13.622 578 HG2 ARG 74 2HG ARG 74 -6.334 14.016 -13.423 579 HG3 ARG 74 3HG ARG 74 -6.257 14.414 -15.140 580 HD2 ARG 74 2HD ARG 74 -6.284 16.492 -13.901 581 HD3 ARG 74 3HD ARG 74 -7.847 16.312 -14.700 582 HE ARG 74 HE ARG 74 -8.859 16.103 -12.575 583 HH11 ARG 74 1HH2 ARG 74 -5.426 15.725 -12.407 584 HH12 ARG 74 2HH2 ARG 74 -5.390 15.713 -10.676 585 HH21 ARG 74 1HH1 ARG 74 -8.815 16.093 -10.331 586 HH22 ARG 74 2HH1 ARG 74 -7.305 15.921 -9.502 587 HA PRO 75 HA PRO 75 -5.895 9.461 -12.093 588 HB2 PRO 75 2HB PRO 75 -3.400 11.119 -12.280 589 HB3 PRO 75 3HB PRO 75 -3.577 9.354 -12.244 590 HG2 PRO 75 2HG PRO 75 -3.029 10.686 -14.510 591 HG3 PRO 75 3HG PRO 75 -4.025 9.223 -14.495 592 HD2 PRO 75 2HD PRO 75 -4.858 12.048 -14.895 593 HD3 PRO 75 3HD PRO 75 -5.620 10.543 -15.460 594 H THR 76 H THR 76 -6.051 9.727 -9.897 595 HA THR 76 HA THR 76 -5.458 12.356 -8.664 596 HB THR 76 HB THR 76 -8.115 11.014 -8.143 597 HG1 THR 76 HG1 THR 76 -7.830 11.691 -10.379 598 HG21 THR 76 3HG2 THR 76 -7.318 12.591 -6.456 599 HG22 THR 76 1HG2 THR 76 -8.682 13.290 -7.327 600 HG23 THR 76 2HG2 THR 76 -7.039 13.812 -7.698 601 H ALA 77 H ALA 77 -6.319 8.926 -8.311 602 HA ALA 77 HA ALA 77 -4.648 8.859 -5.853 603 HB1 ALA 77 3HB ALA 77 -7.588 8.177 -5.930 604 HB2 ALA 77 1HB ALA 77 -6.748 9.259 -4.820 605 HB3 ALA 77 2HB ALA 77 -6.511 7.515 -4.701 606 H ILE 78 H ILE 78 -4.112 6.679 -5.198 607 HA ILE 78 HA ILE 78 -4.535 4.592 -7.314 608 HB ILE 78 HB ILE 78 -1.942 5.297 -5.910 609 HG12 ILE 78 2HG1 ILE 78 -2.646 5.303 -8.858 610 HG13 ILE 78 3HG1 ILE 78 -2.702 6.744 -7.843 611 HG21 ILE 78 1HG2 ILE 78 -2.733 3.006 -7.720 612 HG22 ILE 78 2HG2 ILE 78 -2.003 2.916 -6.117 613 HG23 ILE 78 3HG2 ILE 78 -1.053 3.489 -7.488 614 HD11 ILE 78 3HD1 ILE 78 -0.230 5.019 -8.127 615 HD12 ILE 78 1HD1 ILE 78 -0.345 6.620 -7.394 616 HD13 ILE 78 2HD1 ILE 78 -0.543 6.433 -9.137 617 H GLU 79 H GLU 79 -4.831 2.529 -6.525 618 HA GLU 79 HA GLU 79 -4.759 2.172 -3.541 619 HB2 GLU 79 2HB GLU 79 -7.084 2.375 -4.402 620 HB3 GLU 79 3HB GLU 79 -6.780 1.015 -5.483 621 HG2 GLU 79 2HG GLU 79 -6.339 -0.450 -3.577 622 HG3 GLU 79 3HG GLU 79 -6.522 0.904 -2.464 623 H ALA 80 H ALA 80 -4.122 0.127 -2.817 624 HA ALA 80 HA ALA 80 -3.215 -1.856 -4.862 625 HB1 ALA 80 3HB ALA 80 -1.212 -0.595 -4.371 626 HB2 ALA 80 1HB ALA 80 -1.096 -2.127 -3.504 627 HB3 ALA 80 2HB ALA 80 -1.539 -0.656 -2.639 628 H THR 81 H THR 81 -3.235 -3.987 -4.085 629 HA THR 81 HA THR 81 -4.479 -4.387 -1.381 630 HB THR 81 HB THR 81 -4.821 -6.063 -3.879 631 HG1 THR 81 HG1 THR 81 -5.917 -3.803 -3.242 632 HG21 THR 81 3HG2 THR 81 -4.978 -7.408 -1.861 633 HG22 THR 81 1HG2 THR 81 -6.607 -7.146 -2.487 634 HG23 THR 81 2HG2 THR 81 -6.031 -6.211 -1.106 635 H VAL 82 H VAL 82 -3.363 -5.628 -0.004 636 HA VAL 82 HA VAL 82 -0.995 -7.146 -1.036 637 HB VAL 82 HB VAL 82 -1.632 -6.113 1.742 638 HG11 VAL 82 1HG1 VAL 82 0.688 -7.688 0.602 639 HG12 VAL 82 2HG1 VAL 82 -0.337 -8.113 1.972 640 HG13 VAL 82 3HG1 VAL 82 0.808 -6.778 2.108 641 HG21 VAL 82 3HG2 VAL 82 0.514 -5.270 -0.232 642 HG22 VAL 82 1HG2 VAL 82 0.147 -4.514 1.319 643 HG23 VAL 82 2HG2 VAL 82 -1.007 -4.407 -0.011 644 H ILE 83 H ILE 83 -1.138 -9.289 -1.043 645 HA ILE 83 HA ILE 83 -3.431 -10.639 0.202 646 HB ILE 83 HB ILE 83 -1.089 -11.886 -1.262 647 HG12 ILE 83 2HG1 ILE 83 -2.003 -10.185 -2.722 648 HG13 ILE 83 3HG1 ILE 83 -2.606 -11.746 -3.275 649 HG21 ILE 83 1HG2 ILE 83 -2.899 -13.569 -1.845 650 HG22 ILE 83 2HG2 ILE 83 -3.928 -12.755 -0.667 651 HG23 ILE 83 3HG2 ILE 83 -2.434 -13.533 -0.144 652 HD11 ILE 83 3HD1 ILE 83 -4.535 -10.390 -3.274 653 HD12 ILE 83 1HD1 ILE 83 -4.079 -9.585 -1.774 654 HD13 ILE 83 2HD1 ILE 83 -4.654 -11.252 -1.740 655 H LEU 84 H LEU 84 -3.370 -11.732 2.089 656 HA LEU 84 HA LEU 84 -0.709 -12.214 3.400 657 HB2 LEU 84 2HB LEU 84 -3.354 -11.518 4.719 658 HB3 LEU 84 3HB LEU 84 -1.820 -11.781 5.546 659 HG LEU 84 HG LEU 84 -2.321 -9.611 3.482 660 HD11 LEU 84 1HD1 LEU 84 -2.259 -9.572 6.509 661 HD12 LEU 84 2HD1 LEU 84 -3.566 -9.045 5.450 662 HD13 LEU 84 3HD1 LEU 84 -2.069 -8.116 5.531 663 HD21 LEU 84 3HD2 LEU 84 -0.003 -10.029 3.418 664 HD22 LEU 84 1HD2 LEU 84 0.065 -10.457 5.129 665 HD23 LEU 84 2HD2 LEU 84 -0.115 -8.770 4.645 666 H ASN 85 H ASN 85 -1.740 -14.129 1.742 667 HA ASN 85 HA ASN 85 -3.497 -16.024 2.990 668 HB2 ASN 85 2HB ASN 85 -1.347 -16.328 0.878 669 HB3 ASN 85 3HB ASN 85 -2.424 -17.641 1.353 670 HD21 ASN 85 1HD2 ASN 85 -4.718 -15.683 1.773 671 HD22 ASN 85 2HD2 ASN 85 -5.238 -15.286 0.209 672 H SER 86 H SER 86 0.028 -15.657 2.993 673 HA SER 86 HA SER 86 0.490 -18.075 4.529 674 HB2 SER 86 2HB SER 86 2.397 -15.744 4.363 675 HB3 SER 86 3HB SER 86 2.769 -17.458 4.502 676 HG SER 86 HG SER 86 2.312 -15.956 2.299 677 H GLN 87 H GLN 87 0.910 -18.271 6.734 678 HA GLN 87 HA GLN 87 -0.398 -16.338 8.452 679 HB2 GLN 87 2HB GLN 87 0.488 -19.059 8.632 680 HB3 GLN 87 3HB GLN 87 1.222 -18.194 9.976 681 HG2 GLN 87 2HG GLN 87 -1.730 -18.133 9.295 682 HG3 GLN 87 3HG GLN 87 -1.007 -19.140 10.551 683 HE21 GLN 87 1HE2 GLN 87 0.716 -17.536 11.903 684 HE22 GLN 87 2HE2 GLN 87 -0.050 -16.141 12.494 685 HA PRO 88 HA PRO 88 4.233 -15.656 9.964 686 HB2 PRO 88 2HB PRO 88 5.533 -15.967 7.284 687 HB3 PRO 88 3HB PRO 88 6.139 -16.426 8.888 688 HG2 PRO 88 2HG PRO 88 5.247 -18.256 7.161 689 HG3 PRO 88 3HG PRO 88 4.965 -18.414 8.905 690 HD2 PRO 88 2HD PRO 88 3.046 -17.606 6.756 691 HD3 PRO 88 3HD PRO 88 2.747 -18.531 8.237 692 H GLU 89 H GLU 89 3.034 -14.830 6.754 693 HA GLU 89 HA GLU 89 4.272 -12.245 6.537 694 HB2 GLU 89 2HB GLU 89 3.216 -13.574 4.656 695 HB3 GLU 89 3HB GLU 89 1.644 -13.131 5.321 696 HG2 GLU 89 2HG GLU 89 2.133 -11.536 3.600 697 HG3 GLU 89 3HG GLU 89 2.373 -10.707 5.138 698 H TRP 90 H TRP 90 1.186 -13.356 7.873 699 HA TRP 90 HA TRP 90 0.001 -10.804 8.329 700 HB2 TRP 90 2HB TRP 90 -0.323 -13.549 9.480 701 HB3 TRP 90 3HB TRP 90 -1.032 -12.218 10.389 702 HD1 TRP 90 HD1 TRP 90 -1.623 -14.421 7.455 703 HE1 TRP 90 HE1 TRP 90 -3.729 -13.645 6.184 704 HE3 TRP 90 HE3 TRP 90 -2.378 -9.897 9.692 705 HZ2 TRP 90 HZ2 TRP 90 -5.499 -11.395 6.128 706 HZ3 TRP 90 HZ3 TRP 90 -4.276 -8.456 9.014 707 HH2 TRP 90 HH2 TRP 90 -5.836 -9.198 7.235 708 H ASP 91 H ASP 91 2.209 -12.721 10.339 709 HA ASP 91 HA ASP 91 2.154 -11.011 12.631 710 HB2 ASP 91 2HB ASP 91 4.167 -12.960 11.515 711 HB3 ASP 91 3HB ASP 91 4.539 -12.021 12.959 712 H ARG 92 H ARG 92 4.320 -11.083 9.815 713 HA ARG 92 HA ARG 92 5.869 -8.784 10.638 714 HB2 ARG 92 2HB ARG 92 6.683 -10.489 9.009 715 HB3 ARG 92 3HB ARG 92 5.469 -9.926 7.858 716 HG2 ARG 92 2HG ARG 92 6.466 -7.715 7.799 717 HG3 ARG 92 3HG ARG 92 7.606 -8.153 9.072 718 HD2 ARG 92 2HD ARG 92 8.719 -8.284 6.896 719 HD3 ARG 92 3HD ARG 92 8.560 -9.904 7.574 720 HE ARG 92 HE ARG 92 6.302 -9.306 5.890 721 HH11 ARG 92 1HH2 ARG 92 9.669 -10.078 5.862 722 HH12 ARG 92 2HH2 ARG 92 9.609 -10.847 4.311 723 HH21 ARG 92 1HH1 ARG 92 6.216 -10.306 3.875 724 HH22 ARG 92 2HH1 ARG 92 7.660 -10.975 3.188 725 H PHE 93 H PHE 93 3.111 -9.263 8.479 726 HA PHE 93 HA PHE 93 2.914 -6.594 7.488 727 HB2 PHE 93 2HB PHE 93 1.658 -8.489 6.517 728 HB3 PHE 93 3HB PHE 93 0.710 -8.610 7.998 729 HD1 PHE 93 HD1 PHE 93 1.566 -6.315 5.190 730 HD2 PHE 93 HD2 PHE 93 -1.185 -7.226 8.361 731 HE1 PHE 93 HE1 PHE 93 0.013 -4.579 4.341 732 HE2 PHE 93 HE2 PHE 93 -2.739 -5.491 7.511 733 HZ PHE 93 HZ PHE 93 -2.140 -4.167 5.502 734 H MET 94 H MET 94 1.424 -8.158 10.311 735 HA MET 94 HA MET 94 -0.099 -5.911 11.196 736 HB2 MET 94 2HB MET 94 -0.371 -8.223 12.082 737 HB3 MET 94 3HB MET 94 1.197 -8.077 12.877 738 HG2 MET 94 2HG MET 94 0.392 -6.221 14.230 739 HG3 MET 94 3HG MET 94 -1.149 -6.223 13.374 740 HE1 MET 94 3HE MET 94 -3.124 -9.084 14.558 741 HE2 MET 94 1HE MET 94 -2.607 -8.175 13.132 742 HE3 MET 94 2HE MET 94 -3.220 -7.325 14.547 743 H ARG 95 H ARG 95 3.227 -6.923 11.901 744 HA ARG 95 HA ARG 95 3.783 -4.815 13.784 745 HB2 ARG 95 2HB ARG 95 5.570 -6.500 12.010 746 HB3 ARG 95 3HB ARG 95 6.198 -5.366 13.203 747 HG2 ARG 95 2HG ARG 95 4.175 -7.435 14.052 748 HG3 ARG 95 3HG ARG 95 5.861 -7.907 13.853 749 HD2 ARG 95 2HD ARG 95 4.858 -5.668 15.641 750 HD3 ARG 95 3HD ARG 95 5.415 -7.248 16.184 751 HE ARG 95 HE ARG 95 7.117 -5.038 15.267 752 HH11 ARG 95 1HH2 ARG 95 6.769 -8.428 15.850 753 HH12 ARG 95 2HH2 ARG 95 8.472 -8.700 16.011 754 HH21 ARG 95 1HH1 ARG 95 9.325 -5.385 15.478 755 HH22 ARG 95 2HH1 ARG 95 9.917 -6.980 15.801 756 H PHE 96 H PHE 96 4.163 -5.126 10.285 757 HA PHE 96 HA PHE 96 5.538 -2.646 9.844 758 HB2 PHE 96 2HB PHE 96 3.903 -4.529 8.166 759 HB3 PHE 96 3HB PHE 96 4.273 -2.940 7.501 760 HD1 PHE 96 HD1 PHE 96 6.328 -5.146 9.731 761 HD2 PHE 96 HD2 PHE 96 5.921 -3.316 5.866 762 HE1 PHE 96 HE1 PHE 96 8.599 -5.912 9.131 763 HE2 PHE 96 HE2 PHE 96 8.199 -4.087 5.265 764 HZ PHE 96 HZ PHE 96 9.539 -5.384 6.901 765 H MET 97 H MET 97 2.091 -3.487 9.760 766 HA MET 97 HA MET 97 1.160 -0.839 9.146 767 HB2 MET 97 2HB MET 97 -0.216 -2.886 8.849 768 HB3 MET 97 3HB MET 97 -0.275 -3.075 10.602 769 HG2 MET 97 2HG MET 97 -1.430 -0.948 10.844 770 HG3 MET 97 3HG MET 97 -1.264 -0.625 9.119 771 HE1 MET 97 3HE MET 97 -3.921 -3.587 11.303 772 HE2 MET 97 1HE MET 97 -2.422 -2.812 11.833 773 HE3 MET 97 2HE MET 97 -2.362 -4.251 10.820 774 H GLU 98 H GLU 98 1.747 -2.555 12.176 775 HA GLU 98 HA GLU 98 0.596 -0.634 13.939 776 HB2 GLU 98 2HB GLU 98 1.438 -2.998 14.486 777 HB3 GLU 98 3HB GLU 98 3.050 -2.292 14.553 778 HG2 GLU 98 2HG GLU 98 0.738 -1.208 16.178 779 HG3 GLU 98 3HG GLU 98 1.825 -2.457 16.784 780 H ARG 99 H ARG 99 3.883 -0.908 12.623 781 HA ARG 99 HA ARG 99 4.970 1.333 14.069 782 HB2 ARG 99 2HB ARG 99 5.765 0.071 11.431 783 HB3 ARG 99 3HB ARG 99 6.744 1.254 12.295 784 HG2 ARG 99 2HG ARG 99 5.817 -1.275 13.661 785 HG3 ARG 99 3HG ARG 99 7.261 -1.277 12.653 786 HD2 ARG 99 2HD ARG 99 8.155 0.622 14.044 787 HD3 ARG 99 3HD ARG 99 6.770 0.431 15.115 788 HE ARG 99 HE ARG 99 8.250 -2.043 14.714 789 HH11 ARG 99 1HH2 ARG 99 7.956 0.923 16.465 790 HH12 ARG 99 2HH2 ARG 99 8.797 0.327 17.858 791 HH21 ARG 99 1HH1 ARG 99 9.344 -2.818 16.514 792 HH22 ARG 99 2HH1 ARG 99 9.581 -1.788 17.884 793 H TYR 100 H TYR 100 3.430 1.004 10.917 794 HA TYR 100 HA TYR 100 3.873 3.663 9.979 795 HB2 TYR 100 2HB TYR 100 3.094 1.918 8.480 796 HB3 TYR 100 3HB TYR 100 1.632 1.696 9.438 797 HD1 TYR 100 HD1 TYR 100 3.478 4.174 7.349 798 HD2 TYR 100 HD2 TYR 100 -0.291 3.029 9.062 799 HE1 TYR 100 HE1 TYR 100 2.339 5.933 6.022 800 HE2 TYR 100 HE2 TYR 100 -1.429 4.788 7.736 801 HH TYR 100 HH TYR 100 0.291 7.243 6.080 802 H GLY 101 H GLY 101 1.150 2.256 11.785 803 HA2 GLY 101 2HA GLY 101 -0.381 4.679 11.943 804 HA3 GLY 101 3HA GLY 101 -0.570 3.284 13.003 805 H ALA 102 H ALA 102 2.081 3.264 14.055 806 HA ALA 102 HA ALA 102 1.788 5.132 16.215 807 HB1 ALA 102 3HB ALA 102 3.900 4.285 17.001 808 HB2 ALA 102 1HB ALA 102 4.334 3.726 15.385 809 HB3 ALA 102 2HB ALA 102 3.038 2.926 16.275 810 H GLU 103 H GLU 103 3.861 5.146 13.327 811 HA GLU 103 HA GLU 103 5.124 7.672 14.099 812 HB2 GLU 103 2HB GLU 103 5.167 6.100 11.508 813 HB3 GLU 103 3HB GLU 103 6.155 7.526 11.827 814 HG2 GLU 103 2HG GLU 103 6.198 5.010 13.519 815 HG3 GLU 103 3HG GLU 103 7.366 5.371 12.249 816 H ASN 104 H ASN 104 2.972 6.729 11.382 817 HA ASN 104 HA ASN 104 2.293 9.599 10.977 818 HB2 ASN 104 2HB ASN 104 1.667 7.074 9.438 819 HB3 ASN 104 3HB ASN 104 0.933 8.627 9.042 820 HD21 ASN 104 1HD2 ASN 104 2.667 7.290 7.195 821 HD22 ASN 104 2HD2 ASN 104 4.081 8.215 7.029 822 H GLY 105 H GLY 105 0.159 6.782 10.684 823 HA2 GLY 105 2HA GLY 105 -1.464 6.589 12.754 824 HA3 GLY 105 3HA GLY 105 -1.891 8.237 12.297 825 H LEU 106 H LEU 106 -3.440 5.644 12.238 826 HA LEU 106 HA LEU 106 -3.912 4.994 9.442 827 HB2 LEU 106 2HB LEU 106 -5.304 4.392 12.054 828 HB3 LEU 106 3HB LEU 106 -6.047 3.938 10.521 829 HG LEU 106 HG LEU 106 -4.111 2.598 9.926 830 HD11 LEU 106 1HD1 LEU 106 -2.306 2.314 11.729 831 HD12 LEU 106 2HD1 LEU 106 -2.960 3.781 12.458 832 HD13 LEU 106 3HD1 LEU 106 -2.287 3.830 10.829 833 HD21 LEU 106 3HD2 LEU 106 -4.169 0.940 11.821 834 HD22 LEU 106 1HD2 LEU 106 -5.768 1.451 11.279 835 HD23 LEU 106 2HD2 LEU 106 -5.083 2.121 12.760 836 H GLY 107 H GLY 107 -6.423 6.095 11.687 837 HA2 GLY 107 2HA GLY 107 -8.241 7.540 11.326 838 HA3 GLY 107 3HA GLY 107 -7.035 8.622 10.630 839 H PHE 108 H PHE 108 -8.807 5.653 9.741 840 HA PHE 108 HA PHE 108 -8.553 5.956 6.925 841 HB2 PHE 108 2HB PHE 108 -10.642 4.493 6.870 842 HB3 PHE 108 3HB PHE 108 -9.263 3.846 7.759 843 HD1 PHE 108 HD1 PHE 108 -12.583 5.456 8.094 844 HD2 PHE 108 HD2 PHE 108 -9.319 3.578 10.156 845 HE1 PHE 108 HE1 PHE 108 -13.976 5.285 10.139 846 HE2 PHE 108 HE2 PHE 108 -10.709 3.410 12.203 847 HZ PHE 108 HZ PHE 108 -13.038 4.264 12.195 848 H SER 109 H SER 109 -9.471 7.320 5.537 849 HA SER 109 HA SER 109 -11.274 9.400 6.454 850 HB2 SER 109 2HB SER 109 -10.064 8.675 3.796 851 HB3 SER 109 3HB SER 109 -11.257 9.963 3.929 852 HG SER 109 HG SER 109 -9.203 9.972 5.793 853 H LYS 110 H LYS 110 -13.394 9.778 5.786 854 HA LYS 110 HA LYS 110 -15.051 7.435 5.480 855 HB2 LYS 110 2HB LYS 110 -16.920 9.028 5.427 856 HB3 LYS 110 3HB LYS 110 -15.808 9.391 6.746 857 HG2 LYS 110 2HG LYS 110 -14.719 11.122 5.329 858 HG3 LYS 110 3HG LYS 110 -15.885 10.784 4.047 859 HD2 LYS 110 2HD LYS 110 -17.736 11.414 5.542 860 HD3 LYS 110 3HD LYS 110 -16.591 11.727 6.844 861 HE2 LYS 110 2HE LYS 110 -17.196 13.834 5.764 862 HE3 LYS 110 3HE LYS 110 -15.504 13.468 5.432 863 HZ1 LYS 110 3HZ LYS 110 -17.545 12.512 3.557 864 HZ2 LYS 110 1HZ LYS 110 -15.937 12.966 3.262 865 HZ3 LYS 110 2HZ LYS 110 -17.122 14.157 3.522 866 H SER 111 H SER 111 -16.815 7.410 3.811 867 HA SER 111 HA SER 111 -17.560 7.408 1.585 868 HB2 SER 111 2HB SER 111 -16.825 9.021 0.082 869 HB3 SER 111 3HB SER 111 -16.334 9.772 1.597 870 HG SER 111 HG SER 111 -14.596 9.759 0.183 871 H GLU 112 H GLU 112 -14.657 6.286 2.787 872 HA GLU 112 HA GLU 112 -14.027 4.715 0.314 873 HB2 GLU 112 2HB GLU 112 -12.430 5.226 2.840 874 HB3 GLU 112 3HB GLU 112 -11.896 4.189 1.523 875 HG2 GLU 112 2HG GLU 112 -12.628 7.108 1.184 876 HG3 GLU 112 3HG GLU 112 -10.978 6.529 1.418 877 H LEU 113 H LEU 113 -15.136 4.459 3.614 878 HA LEU 113 HA LEU 113 -14.817 1.553 3.775 879 HB2 LEU 113 2HB LEU 113 -16.599 3.267 5.516 880 HB3 LEU 113 3HB LEU 113 -15.864 1.720 5.914 881 HG LEU 113 HG LEU 113 -14.521 3.321 7.030 882 HD11 LEU 113 1HD1 LEU 113 -12.366 2.987 6.078 883 HD12 LEU 113 2HD1 LEU 113 -13.020 2.914 4.441 884 HD13 LEU 113 3HD1 LEU 113 -13.324 1.597 5.573 885 HD21 LEU 113 3HD2 LEU 113 -15.445 5.190 5.242 886 HD22 LEU 113 1HD2 LEU 113 -13.787 4.994 4.683 887 HD23 LEU 113 2HD2 LEU 113 -14.106 5.467 6.343 888 H GLU 114 H GLU 114 -17.475 3.817 3.260 889 HA GLU 114 HA GLU 114 -19.534 1.835 3.103 890 HB2 GLU 114 2HB GLU 114 -20.700 3.731 1.716 891 HB3 GLU 114 3HB GLU 114 -20.340 4.008 3.418 892 HG2 GLU 114 2HG GLU 114 -18.389 5.295 2.897 893 HG3 GLU 114 3HG GLU 114 -18.439 4.808 1.202 894 H HIS 115 H HIS 115 -19.407 0.192 1.689 895 HA HIS 115 HA HIS 115 -19.643 0.643 -1.131 896 HB2 HIS 115 2HB HIS 115 -17.222 1.140 -0.941 897 HB3 HIS 115 3HB HIS 115 -16.960 -0.442 -0.210 898 HD1 HIS 115 HD1 HIS 115 -17.350 -2.541 -1.752 899 HD2 HIS 115 HD2 HIS 115 -17.562 1.120 -3.734 900 HE1 HIS 115 HE1 HIS 115 -17.223 -3.059 -4.228 901 H HIS 116 H HIS 116 -21.407 -0.770 -0.554 902 HA HIS 116 HA HIS 116 -20.713 -3.622 -0.813 903 HB2 HIS 116 2HB HIS 116 -20.731 -3.170 1.670 904 HB3 HIS 116 3HB HIS 116 -22.414 -2.668 1.510 905 HD1 HIS 116 HD1 HIS 116 -24.146 -4.531 0.754 906 HD2 HIS 116 HD2 HIS 116 -20.328 -5.952 1.641 907 HE1 HIS 116 HE1 HIS 116 -24.353 -7.045 0.997 908 H HIS 117 H HIS 117 -23.370 -1.323 -0.123 909 HA HIS 117 HA HIS 117 -24.819 -2.338 -2.496 910 HB2 HIS 117 2HB HIS 117 -26.907 -2.687 -1.175 911 HB3 HIS 117 3HB HIS 117 -25.630 -3.831 -0.760 912 HD1 HIS 117 HD1 HIS 117 -24.494 -3.575 1.559 913 HD2 HIS 117 HD2 HIS 117 -27.529 -0.798 0.875 914 HE1 HIS 117 HE1 HIS 117 -24.999 -2.501 3.796 915 H HIS 118 H HIS 118 -26.856 -1.042 -2.850 916 HA HIS 118 HA HIS 118 -26.900 1.627 -1.585 917 HB2 HIS 118 2HB HIS 118 -26.596 2.850 -3.638 918 HB3 HIS 118 3HB HIS 118 -25.239 1.735 -3.490 919 HD1 HIS 118 HD1 HIS 118 -25.324 -0.447 -5.009 920 HD2 HIS 118 HD2 HIS 118 -28.257 2.391 -5.866 921 HE1 HIS 118 HE1 HIS 118 -26.281 -1.066 -7.270 922 H HIS 119 H HIS 119 -28.842 2.831 -2.165 923 HA HIS 119 HA HIS 119 -30.908 1.439 -3.736 924 HB2 HIS 119 2HB HIS 119 -32.534 1.412 -1.875 925 HB3 HIS 119 3HB HIS 119 -31.147 0.379 -1.536 926 HD1 HIS 119 HD1 HIS 119 -29.211 1.574 -0.007 927 HD2 HIS 119 HD2 HIS 119 -32.993 3.327 0.074 928 HE1 HIS 119 HE1 HIS 119 -29.276 3.045 2.055 929 H HIS 120 H HIS 120 -32.849 2.784 -3.969 930 HA HIS 120 HA HIS 120 -32.147 5.656 -4.084 931 HB2 HIS 120 2HB HIS 120 -34.555 4.117 -5.102 932 HB3 HIS 120 3HB HIS 120 -34.224 5.817 -5.434 933 HD1 HIS 120 HD1 HIS 120 -31.835 6.262 -6.686 934 HD2 HIS 120 HD2 HIS 120 -33.332 2.377 -6.895 935 HE1 HIS 120 HE1 HIS 120 -30.605 5.121 -8.581 Start of MODEL 16 1 H1 MET 1 1H MET 1 11.927 3.406 11.176 2 H2 MET 1 2H MET 1 10.874 2.190 10.631 3 H3 MET 1 3H MET 1 10.497 3.081 12.027 4 HA MET 1 HA MET 1 9.392 4.544 10.822 5 HB2 MET 1 2HB MET 1 12.056 4.804 9.396 6 HB3 MET 1 3HB MET 1 10.689 5.886 9.120 7 HG2 MET 1 2HG MET 1 10.677 6.523 11.487 8 HG3 MET 1 3HG MET 1 11.986 5.391 11.817 9 HE1 MET 1 3HE MET 1 11.791 7.945 8.525 10 HE2 MET 1 1HE MET 1 11.982 9.335 9.601 11 HE3 MET 1 2HE MET 1 10.670 8.190 9.860 12 H ALA 2 H ALA 2 8.112 2.708 10.046 13 HA ALA 2 HA ALA 2 8.676 1.383 7.561 14 HB1 ALA 2 3HB ALA 2 6.031 1.778 8.987 15 HB2 ALA 2 1HB ALA 2 7.159 0.449 9.263 16 HB3 ALA 2 2HB ALA 2 6.344 0.608 7.707 17 H GLU 3 H GLU 3 7.949 1.811 5.484 18 HA GLU 3 HA GLU 3 6.124 4.057 4.974 19 HB2 GLU 3 2HB GLU 3 7.729 5.240 3.499 20 HB3 GLU 3 3HB GLU 3 8.280 5.223 5.174 21 HG2 GLU 3 2HG GLU 3 9.745 3.297 4.672 22 HG3 GLU 3 3HG GLU 3 9.202 3.323 2.995 23 H ILE 4 H ILE 4 5.555 4.177 2.667 24 HA ILE 4 HA ILE 4 5.869 1.523 1.306 25 HB ILE 4 HB ILE 4 3.714 3.639 1.032 26 HG12 ILE 4 2HG1 ILE 4 3.551 0.822 2.135 27 HG13 ILE 4 3HG1 ILE 4 3.762 2.249 3.150 28 HG21 ILE 4 1HG2 ILE 4 4.007 2.535 -1.090 29 HG22 ILE 4 2HG2 ILE 4 2.599 1.806 -0.318 30 HG23 ILE 4 3HG2 ILE 4 4.145 0.959 -0.312 31 HD11 ILE 4 3HD1 ILE 4 1.371 1.550 2.944 32 HD12 ILE 4 1HD1 ILE 4 1.468 1.851 1.208 33 HD13 ILE 4 2HD1 ILE 4 1.662 3.184 2.346 34 H GLN 5 H GLN 5 6.955 1.497 -0.595 35 HA GLN 5 HA GLN 5 7.348 4.087 -2.061 36 HB2 GLN 5 2HB GLN 5 9.398 1.937 -1.448 37 HB3 GLN 5 3HB GLN 5 9.655 3.249 -2.602 38 HG2 GLN 5 2HG GLN 5 9.304 4.911 -0.841 39 HG3 GLN 5 3HG GLN 5 8.954 3.634 0.322 40 HE21 GLN 5 1HE2 GLN 5 11.309 2.364 -1.647 41 HE22 GLN 5 2HE2 GLN 5 12.688 2.810 -0.761 42 H PHE 6 H PHE 6 6.807 3.968 -4.144 43 HA PHE 6 HA PHE 6 5.992 1.386 -5.304 44 HB2 PHE 6 2HB PHE 6 5.959 4.215 -6.410 45 HB3 PHE 6 3HB PHE 6 5.254 2.813 -7.210 46 HD1 PHE 6 HD2 PHE 6 3.496 1.447 -5.850 47 HD2 PHE 6 HD1 PHE 6 4.676 5.462 -4.873 48 HE1 PHE 6 HE2 PHE 6 1.405 1.751 -4.557 49 HE2 PHE 6 HE1 PHE 6 2.584 5.760 -3.573 50 HZ PHE 6 HZ PHE 6 0.947 3.902 -3.417 51 H SER 7 H SER 7 8.837 3.125 -5.037 52 HA SER 7 HA SER 7 10.164 1.487 -7.055 53 HB2 SER 7 2HB SER 7 9.290 3.359 -8.440 54 HB3 SER 7 3HB SER 7 10.120 4.506 -7.393 55 HG SER 7 HG SER 7 11.898 2.705 -8.069 56 H LYS 8 H LYS 8 10.767 4.626 -5.433 57 HA LYS 8 HA LYS 8 12.950 3.334 -3.860 58 HB2 LYS 8 2HB LYS 8 13.276 5.771 -5.641 59 HB3 LYS 8 3HB LYS 8 14.443 5.277 -4.421 60 HG2 LYS 8 2HG LYS 8 14.748 3.119 -5.540 61 HG3 LYS 8 3HG LYS 8 13.535 3.556 -6.739 62 HD2 LYS 8 2HD LYS 8 15.581 4.052 -7.809 63 HD3 LYS 8 3HD LYS 8 15.013 5.617 -7.228 64 HE2 LYS 8 2HE LYS 8 16.521 5.557 -5.350 65 HE3 LYS 8 3HE LYS 8 16.934 3.872 -5.658 66 HZ1 LYS 8 3HZ LYS 8 18.600 5.507 -6.454 67 HZ2 LYS 8 1HZ LYS 8 17.457 6.078 -7.568 68 HZ3 LYS 8 2HZ LYS 8 18.011 4.476 -7.670 69 H GLY 9 H GLY 9 13.977 5.742 -2.793 70 HA2 GLY 9 2HA GLY 9 12.163 6.279 -0.669 71 HA3 GLY 9 3HA GLY 9 13.582 7.251 -1.055 72 H VAL 10 H VAL 10 11.685 7.060 -3.790 73 HA VAL 10 HA VAL 10 10.973 9.838 -3.673 74 HB VAL 10 HB VAL 10 10.105 7.619 -5.542 75 HG11 VAL 10 1HG1 VAL 10 8.428 9.321 -5.695 76 HG12 VAL 10 2HG1 VAL 10 9.526 9.598 -7.046 77 HG13 VAL 10 3HG1 VAL 10 9.631 10.608 -5.603 78 HG21 VAL 10 3HG2 VAL 10 12.513 8.148 -5.580 79 HG22 VAL 10 1HG2 VAL 10 12.139 9.858 -5.801 80 HG23 VAL 10 2HG2 VAL 10 11.735 8.695 -7.065 81 H ALA 11 H ALA 11 9.131 10.799 -3.047 82 HA ALA 11 HA ALA 11 7.007 11.109 -2.152 83 HB1 ALA 11 3HB ALA 11 6.405 9.744 -4.240 84 HB2 ALA 11 1HB ALA 11 5.230 9.749 -2.926 85 HB3 ALA 11 2HB ALA 11 6.283 8.356 -3.159 86 H GLU 12 H GLU 12 7.654 11.072 -0.010 87 HA GLU 12 HA GLU 12 7.076 8.534 1.480 88 HB2 GLU 12 2HB GLU 12 9.535 8.971 1.365 89 HB3 GLU 12 3HB GLU 12 9.262 10.536 2.133 90 HG2 GLU 12 2HG GLU 12 8.304 9.441 4.100 91 HG3 GLU 12 3HG GLU 12 8.491 7.864 3.335 92 H THR 13 H THR 13 6.792 11.985 1.194 93 HA THR 13 HA THR 13 5.786 12.431 3.889 94 HB THR 13 HB THR 13 5.233 14.230 1.523 95 HG1 THR 13 HG1 THR 13 7.301 14.253 1.222 96 HG21 THR 13 3HG2 THR 13 4.281 14.855 3.695 97 HG22 THR 13 1HG2 THR 13 5.564 15.979 3.246 98 HG23 THR 13 2HG2 THR 13 5.872 14.722 4.446 99 H VAL 14 H VAL 14 4.556 10.775 1.331 100 HA VAL 14 HA VAL 14 1.828 11.685 1.235 101 HB VAL 14 HB VAL 14 2.866 8.902 0.637 102 HG11 VAL 14 1HG1 VAL 14 0.956 8.699 -0.776 103 HG12 VAL 14 2HG1 VAL 14 0.602 10.421 -0.674 104 HG13 VAL 14 3HG1 VAL 14 0.344 9.386 0.727 105 HG21 VAL 14 3HG2 VAL 14 4.249 10.507 -0.550 106 HG22 VAL 14 1HG2 VAL 14 2.825 11.409 -1.067 107 HG23 VAL 14 2HG2 VAL 14 3.122 9.789 -1.699 108 H VAL 15 H VAL 15 0.097 11.136 2.505 109 HA VAL 15 HA VAL 15 0.555 9.170 4.730 110 HB VAL 15 HB VAL 15 -1.153 11.668 4.760 111 HG11 VAL 15 1HG1 VAL 15 -1.236 11.103 7.225 112 HG12 VAL 15 2HG1 VAL 15 -0.495 9.552 6.828 113 HG13 VAL 15 3HG1 VAL 15 -2.089 9.956 6.193 114 HG21 VAL 15 3HG2 VAL 15 1.521 10.996 6.030 115 HG22 VAL 15 1HG2 VAL 15 0.574 12.434 6.408 116 HG23 VAL 15 2HG2 VAL 15 1.231 12.211 4.786 117 HA PRO 16 HA PRO 16 -3.040 7.768 2.149 118 HB2 PRO 16 2HB PRO 16 -2.273 5.170 1.853 119 HB3 PRO 16 3HB PRO 16 -1.666 6.470 0.811 120 HG2 PRO 16 2HG PRO 16 -0.338 5.106 3.098 121 HG3 PRO 16 3HG PRO 16 0.355 5.705 1.585 122 HD2 PRO 16 2HD PRO 16 0.507 7.038 4.020 123 HD3 PRO 16 3HD PRO 16 0.707 7.813 2.436 124 H GLU 17 H GLU 17 -4.831 6.459 2.766 125 HA GLU 17 HA GLU 17 -4.922 5.871 5.660 126 HB2 GLU 17 2HB GLU 17 -7.051 5.850 3.499 127 HB3 GLU 17 3HB GLU 17 -7.361 5.517 5.203 128 HG2 GLU 17 2HG GLU 17 -6.125 8.081 4.151 129 HG3 GLU 17 3HG GLU 17 -7.825 7.896 4.587 130 H VAL 18 H VAL 18 -5.084 3.850 6.514 131 HA VAL 18 HA VAL 18 -4.492 1.578 4.733 132 HB VAL 18 HB VAL 18 -4.815 1.634 7.744 133 HG11 VAL 18 1HG1 VAL 18 -3.413 -0.300 5.874 134 HG12 VAL 18 2HG1 VAL 18 -4.946 -0.603 6.693 135 HG13 VAL 18 3HG1 VAL 18 -3.463 -0.421 7.632 136 HG21 VAL 18 3HG2 VAL 18 -3.060 3.167 7.252 137 HG22 VAL 18 1HG2 VAL 18 -2.444 2.163 5.939 138 HG23 VAL 18 2HG2 VAL 18 -2.246 1.646 7.613 139 H ARG 19 H ARG 19 -5.962 0.078 4.129 140 HA ARG 19 HA ARG 19 -8.611 0.008 5.530 141 HB2 ARG 19 2HB ARG 19 -8.087 -0.232 2.551 142 HB3 ARG 19 3HB ARG 19 -9.659 -0.381 3.330 143 HG2 ARG 19 2HG ARG 19 -7.973 2.100 3.696 144 HG3 ARG 19 3HG ARG 19 -9.025 1.919 2.297 145 HD2 ARG 19 2HD ARG 19 -10.949 1.517 3.843 146 HD3 ARG 19 3HD ARG 19 -9.884 1.827 5.208 147 HE ARG 19 HE ARG 19 -9.987 4.126 4.725 148 HH11 ARG 19 1HH2 ARG 19 -11.117 2.199 2.092 149 HH12 ARG 19 2HH2 ARG 19 -11.768 3.547 1.221 150 HH21 ARG 19 1HH1 ARG 19 -10.836 5.876 3.615 151 HH22 ARG 19 2HH1 ARG 19 -11.610 5.631 2.084 152 H LEU 20 H LEU 20 -9.503 -1.994 5.811 153 HA LEU 20 HA LEU 20 -7.728 -4.325 5.200 154 HB2 LEU 20 2HB LEU 20 -9.897 -4.028 7.297 155 HB3 LEU 20 3HB LEU 20 -8.834 -5.421 7.090 156 HG LEU 20 HG LEU 20 -7.909 -2.603 7.734 157 HD11 LEU 20 1HD1 LEU 20 -8.202 -5.087 9.446 158 HD12 LEU 20 2HD1 LEU 20 -9.044 -3.550 9.649 159 HD13 LEU 20 3HD1 LEU 20 -7.308 -3.650 9.943 160 HD21 LEU 20 3HD2 LEU 20 -6.486 -5.215 7.218 161 HD22 LEU 20 1HD2 LEU 20 -5.767 -4.023 8.301 162 HD23 LEU 20 2HD2 LEU 20 -6.090 -3.601 6.625 163 H SER 21 H SER 21 -8.485 -5.883 3.882 164 HA SER 21 HA SER 21 -11.390 -5.819 3.114 165 HB2 SER 21 2HB SER 21 -9.979 -5.054 1.266 166 HB3 SER 21 3HB SER 21 -8.965 -6.486 1.419 167 HG SER 21 HG SER 21 -10.843 -7.731 0.947 168 H LYS 22 H LYS 22 -12.349 -7.866 2.696 169 HA LYS 22 HA LYS 22 -10.782 -10.256 3.589 170 HB2 LYS 22 2HB LYS 22 -12.219 -9.422 5.449 171 HB3 LYS 22 3HB LYS 22 -13.631 -9.617 4.409 172 HG2 LYS 22 2HG LYS 22 -13.196 -12.008 4.200 173 HG3 LYS 22 3HG LYS 22 -11.708 -11.847 5.129 174 HD2 LYS 22 2HD LYS 22 -13.020 -11.077 7.079 175 HD3 LYS 22 3HD LYS 22 -14.506 -11.281 6.148 176 HE2 LYS 22 2HE LYS 22 -12.527 -13.515 6.658 177 HE3 LYS 22 3HE LYS 22 -13.959 -13.232 7.647 178 HZ1 LYS 22 3HZ LYS 22 -14.259 -14.883 5.828 179 HZ2 LYS 22 1HZ LYS 22 -14.042 -13.629 4.708 180 HZ3 LYS 22 2HZ LYS 22 -15.358 -13.589 5.781 181 H SER 23 H SER 23 -11.517 -12.239 2.705 182 HA SER 23 HA SER 23 -12.440 -12.104 -0.006 183 HB2 SER 23 2HB SER 23 -12.418 -14.548 0.103 184 HB3 SER 23 3HB SER 23 -11.001 -13.916 0.935 185 HG SER 23 HG SER 23 -11.923 -14.366 2.862 186 H LYS 24 H LYS 24 -14.149 -11.588 2.745 187 HA LYS 24 HA LYS 24 -16.389 -11.864 3.407 188 HB2 LYS 24 2HB LYS 24 -16.264 -10.163 1.415 189 HB3 LYS 24 3HB LYS 24 -17.056 -11.438 0.497 190 HG2 LYS 24 2HG LYS 24 -18.926 -10.322 1.319 191 HG3 LYS 24 3HG LYS 24 -18.690 -11.498 2.608 192 HD2 LYS 24 2HD LYS 24 -17.413 -9.831 3.906 193 HD3 LYS 24 3HD LYS 24 -17.630 -8.655 2.611 194 HE2 LYS 24 2HE LYS 24 -20.071 -8.772 2.902 195 HE3 LYS 24 3HE LYS 24 -19.864 -9.960 4.191 196 HZ1 LYS 24 3HZ LYS 24 -18.411 -8.221 5.287 197 HZ2 LYS 24 1HZ LYS 24 -20.079 -7.916 5.272 198 HZ3 LYS 24 2HZ LYS 24 -19.061 -7.114 4.173 199 H ASN 25 H ASN 25 -14.990 -14.313 2.289 200 HA ASN 25 HA ASN 25 -17.289 -16.061 2.380 201 HB2 ASN 25 2HB ASN 25 -17.276 -15.149 -0.032 202 HB3 ASN 25 3HB ASN 25 -15.792 -16.079 -0.253 203 HD21 ASN 25 1HD2 ASN 25 -16.667 -17.720 -1.642 204 HD22 ASN 25 2HD2 ASN 25 -17.864 -18.811 -1.132 205 H GLY 26 H GLY 26 -14.514 -15.520 3.483 206 HA2 GLY 26 2HA GLY 26 -13.751 -18.213 3.971 207 HA3 GLY 26 3HA GLY 26 -12.722 -17.579 2.690 208 H GLN 27 H GLN 27 -11.364 -18.241 4.865 209 HA GLN 27 HA GLN 27 -11.163 -15.969 6.739 210 HB2 GLN 27 2HB GLN 27 -10.941 -18.327 7.522 211 HB3 GLN 27 3HB GLN 27 -9.503 -18.499 6.517 212 HG2 GLN 27 2HG GLN 27 -8.313 -16.845 7.786 213 HG3 GLN 27 3HG GLN 27 -9.771 -16.378 8.660 214 HE21 GLN 27 1HE2 GLN 27 -7.449 -17.228 10.062 215 HE22 GLN 27 2HE2 GLN 27 -7.770 -18.725 10.796 216 H SER 28 H SER 28 -9.891 -16.807 3.716 217 HA SER 28 HA SER 28 -7.216 -16.164 3.678 218 HB2 SER 28 2HB SER 28 -8.150 -16.653 1.587 219 HB3 SER 28 3HB SER 28 -9.434 -15.461 1.772 220 HG SER 28 HG SER 28 -7.960 -13.845 1.439 221 H GLY 29 H GLY 29 -6.117 -14.563 4.602 222 HA2 GLY 29 2HA GLY 29 -7.370 -12.091 5.460 223 HA3 GLY 29 3HA GLY 29 -5.658 -12.489 5.608 224 H MET 30 H MET 30 -7.187 -10.051 4.553 225 HA MET 30 HA MET 30 -5.405 -9.613 2.249 226 HB2 MET 30 2HB MET 30 -7.482 -10.632 1.283 227 HB3 MET 30 3HB MET 30 -8.407 -9.294 1.961 228 HG2 MET 30 2HG MET 30 -7.025 -7.695 0.661 229 HG3 MET 30 3HG MET 30 -6.145 -9.050 -0.045 230 HE1 MET 30 3HE MET 30 -8.255 -10.536 -2.648 231 HE2 MET 30 1HE MET 30 -7.514 -11.127 -1.154 232 HE3 MET 30 2HE MET 30 -6.655 -9.972 -2.172 233 H ALA 31 H ALA 31 -5.134 -7.370 1.790 234 HA ALA 31 HA ALA 31 -6.587 -5.441 3.525 235 HB1 ALA 31 3HB ALA 31 -3.576 -5.300 3.310 236 HB2 ALA 31 1HB ALA 31 -4.355 -6.241 4.585 237 HB3 ALA 31 2HB ALA 31 -4.643 -4.506 4.470 238 H LYS 32 H LYS 32 -6.649 -3.343 2.646 239 HA LYS 32 HA LYS 32 -5.478 -3.033 -0.095 240 HB2 LYS 32 2HB LYS 32 -8.227 -2.257 0.899 241 HB3 LYS 32 3HB LYS 32 -7.542 -1.693 -0.628 242 HG2 LYS 32 2HG LYS 32 -7.253 -4.040 -1.356 243 HG3 LYS 32 3HG LYS 32 -7.970 -4.590 0.160 244 HD2 LYS 32 2HD LYS 32 -10.058 -3.398 -0.389 245 HD3 LYS 32 3HD LYS 32 -9.343 -2.844 -1.904 246 HE2 LYS 32 2HE LYS 32 -9.066 -5.183 -2.636 247 HE3 LYS 32 3HE LYS 32 -9.779 -5.742 -1.122 248 HZ1 LYS 32 3HZ LYS 32 -11.443 -5.699 -2.835 249 HZ2 LYS 32 1HZ LYS 32 -11.108 -4.073 -3.186 250 HZ3 LYS 32 2HZ LYS 32 -11.796 -4.493 -1.690 251 H PHE 33 H PHE 33 -4.717 -0.983 -0.611 252 HA PHE 33 HA PHE 33 -4.570 0.975 1.665 253 HB2 PHE 33 2HB PHE 33 -2.581 0.282 -0.507 254 HB3 PHE 33 3HB PHE 33 -2.438 1.716 0.511 255 HD1 PHE 33 HD2 PHE 33 -2.229 1.473 2.988 256 HD2 PHE 33 HD1 PHE 33 -2.059 -1.902 0.339 257 HE1 PHE 33 HE2 PHE 33 -1.225 0.105 4.793 258 HE2 PHE 33 HE1 PHE 33 -1.051 -3.268 2.142 259 HZ PHE 33 HZ PHE 33 -0.634 -2.262 4.372 260 H TYR 34 H TYR 34 -5.099 3.071 1.223 261 HA TYR 34 HA TYR 34 -5.980 3.714 -1.575 262 HB2 TYR 34 2HB TYR 34 -7.874 3.552 -0.017 263 HB3 TYR 34 3HB TYR 34 -7.098 4.712 1.062 264 HD1 TYR 34 HD2 TYR 34 -8.228 4.308 -2.483 265 HD2 TYR 34 HD1 TYR 34 -7.489 7.016 0.768 266 HE1 TYR 34 HE2 TYR 34 -9.176 6.169 -3.817 267 HE2 TYR 34 HE1 TYR 34 -8.436 8.877 -0.567 268 HH TYR 34 HH TYR 34 -8.751 9.390 -3.036 269 H PHE 35 H PHE 35 -4.865 5.318 -2.491 270 HA PHE 35 HA PHE 35 -3.249 7.153 -0.755 271 HB2 PHE 35 2HB PHE 35 -2.894 6.352 -3.657 272 HB3 PHE 35 3HB PHE 35 -1.856 7.461 -2.769 273 HD1 PHE 35 HD2 PHE 35 -3.068 3.952 -2.915 274 HD2 PHE 35 HD1 PHE 35 -0.179 6.666 -1.259 275 HE1 PHE 35 HE2 PHE 35 -1.776 2.032 -2.025 276 HE2 PHE 35 HE1 PHE 35 1.115 4.743 -0.375 277 HZ PHE 35 HZ PHE 35 0.315 2.429 -0.754 278 H LEU 36 H LEU 36 -4.029 9.169 -0.622 279 HA LEU 36 HA LEU 36 -5.995 10.114 -2.636 280 HB2 LEU 36 2HB LEU 36 -6.623 10.348 -0.285 281 HB3 LEU 36 3HB LEU 36 -5.146 11.249 0.049 282 HG LEU 36 HG LEU 36 -5.872 13.060 -1.430 283 HD11 LEU 36 1HD1 LEU 36 -7.101 12.105 -3.174 284 HD12 LEU 36 2HD1 LEU 36 -8.382 12.840 -2.213 285 HD13 LEU 36 3HD1 LEU 36 -8.069 11.108 -2.088 286 HD21 LEU 36 3HD2 LEU 36 -6.617 13.176 0.889 287 HD22 LEU 36 1HD2 LEU 36 -8.013 12.163 0.522 288 HD23 LEU 36 2HD2 LEU 36 -7.897 13.785 -0.160 289 H GLU 37 H GLU 37 -5.360 11.399 -4.227 290 HA GLU 37 HA GLU 37 -3.869 12.616 -5.590 291 HB2 GLU 37 2HB GLU 37 -4.261 14.226 -3.065 292 HB3 GLU 37 3HB GLU 37 -3.362 14.871 -4.439 293 HG2 GLU 37 2HG GLU 37 -6.107 13.676 -4.837 294 HG3 GLU 37 3HG GLU 37 -5.929 15.343 -4.291 295 HA PRO 38 HA PRO 38 -0.023 11.306 -3.206 296 HB2 PRO 38 2HB PRO 38 0.740 9.253 -4.870 297 HB3 PRO 38 3HB PRO 38 -0.298 9.030 -3.454 298 HG2 PRO 38 2HG PRO 38 -1.051 9.218 -6.332 299 HG3 PRO 38 3HG PRO 38 -1.716 8.181 -5.060 300 HD2 PRO 38 2HD PRO 38 -2.965 10.474 -5.924 301 HD3 PRO 38 3HD PRO 38 -3.149 9.827 -4.281 302 H THR 39 H THR 39 2.077 11.890 -3.845 303 HA THR 39 HA THR 39 2.248 13.667 -6.134 304 HB THR 39 HB THR 39 3.455 14.194 -4.084 305 HG1 THR 39 HG1 THR 39 4.394 14.779 -6.099 306 HG21 THR 39 3HG2 THR 39 3.812 11.775 -3.432 307 HG22 THR 39 1HG2 THR 39 5.227 12.806 -3.220 308 HG23 THR 39 2HG2 THR 39 5.126 11.722 -4.607 309 H ILE 40 H ILE 40 2.724 10.317 -5.726 310 HA ILE 40 HA ILE 40 4.877 9.884 -7.568 311 HB ILE 40 HB ILE 40 3.794 8.262 -5.862 312 HG12 ILE 40 2HG1 ILE 40 4.343 6.278 -7.320 313 HG13 ILE 40 3HG1 ILE 40 4.488 7.377 -8.684 314 HG21 ILE 40 1HG2 ILE 40 1.491 8.620 -6.983 315 HG22 ILE 40 2HG2 ILE 40 1.933 6.973 -6.533 316 HG23 ILE 40 3HG2 ILE 40 2.065 7.497 -8.212 317 HD11 ILE 40 3HD1 ILE 40 6.494 8.232 -7.955 318 HD12 ILE 40 1HD1 ILE 40 6.596 6.674 -7.144 319 HD13 ILE 40 2HD1 ILE 40 6.068 8.095 -6.250 320 H LEU 41 H LEU 41 1.936 11.267 -8.163 321 HA LEU 41 HA LEU 41 1.492 10.031 -10.823 322 HB2 LEU 41 2HB LEU 41 0.080 12.340 -9.447 323 HB3 LEU 41 3HB LEU 41 -0.457 11.523 -10.915 324 HG LEU 41 HG LEU 41 -0.098 10.190 -8.217 325 HD11 LEU 41 1HD1 LEU 41 -2.613 11.025 -9.697 326 HD12 LEU 41 2HD1 LEU 41 -1.990 11.760 -8.218 327 HD13 LEU 41 3HD1 LEU 41 -2.573 10.094 -8.200 328 HD21 LEU 41 3HD2 LEU 41 -0.904 9.214 -10.953 329 HD22 LEU 41 1HD2 LEU 41 -1.573 8.432 -9.523 330 HD23 LEU 41 2HD2 LEU 41 0.167 8.459 -9.773 331 H ALA 42 H ALA 42 3.278 12.564 -9.438 332 HA ALA 42 HA ALA 42 3.406 14.086 -12.012 333 HB1 ALA 42 3HB ALA 42 2.949 15.252 -9.773 334 HB2 ALA 42 1HB ALA 42 4.268 15.908 -10.740 335 HB3 ALA 42 2HB ALA 42 4.620 14.876 -9.355 336 H LYS 43 H LYS 43 5.167 11.960 -9.918 337 HA LYS 43 HA LYS 43 7.782 12.613 -11.115 338 HB2 LYS 43 2HB LYS 43 7.028 10.343 -9.251 339 HB3 LYS 43 3HB LYS 43 8.656 10.920 -9.606 340 HG2 LYS 43 2HG LYS 43 6.486 12.605 -8.320 341 HG3 LYS 43 3HG LYS 43 7.758 11.772 -7.426 342 HD2 LYS 43 2HD LYS 43 9.405 13.046 -8.971 343 HD3 LYS 43 3HD LYS 43 8.027 14.072 -9.366 344 HE2 LYS 43 2HE LYS 43 9.028 15.197 -7.565 345 HE3 LYS 43 3HE LYS 43 7.724 14.292 -6.794 346 HZ1 LYS 43 3HZ LYS 43 9.451 13.693 -5.471 347 HZ2 LYS 43 1HZ LYS 43 10.613 13.852 -6.696 348 HZ3 LYS 43 2HZ LYS 43 9.608 12.482 -6.652 349 H GLU 44 H GLU 44 6.309 9.407 -10.633 350 HA GLU 44 HA GLU 44 7.247 8.669 -13.377 351 HB2 GLU 44 2HB GLU 44 6.566 6.959 -10.966 352 HB3 GLU 44 3HB GLU 44 7.047 6.330 -12.540 353 HG2 GLU 44 2HG GLU 44 8.722 8.222 -10.867 354 HG3 GLU 44 3HG GLU 44 8.960 6.477 -10.943 355 H SER 45 H SER 45 5.890 7.211 -14.613 356 HA SER 45 HA SER 45 3.139 8.127 -14.689 357 HB2 SER 45 2HB SER 45 3.003 6.979 -16.733 358 HB3 SER 45 3HB SER 45 4.706 7.423 -16.647 359 HG SER 45 HG SER 45 5.198 5.384 -16.503 360 H THR 46 H THR 46 1.320 6.550 -14.829 361 HA THR 46 HA THR 46 1.133 4.965 -12.452 362 HB THR 46 HB THR 46 -1.016 4.154 -13.546 363 HG1 THR 46 HG1 THR 46 -1.452 5.637 -15.435 364 HG21 THR 46 3HG2 THR 46 -0.929 6.138 -12.074 365 HG22 THR 46 1HG2 THR 46 -2.103 6.351 -13.372 366 HG23 THR 46 2HG2 THR 46 -0.531 7.147 -13.465 367 H ASP 47 H ASP 47 1.942 4.213 -15.780 368 HA ASP 47 HA ASP 47 1.679 1.349 -15.537 369 HB2 ASP 47 2HB ASP 47 3.212 3.123 -17.450 370 HB3 ASP 47 3HB ASP 47 3.143 1.368 -17.609 371 H ASP 48 H ASP 48 4.055 3.604 -14.460 372 HA ASP 48 HA ASP 48 6.170 1.528 -14.233 373 HB2 ASP 48 2HB ASP 48 6.098 4.490 -13.619 374 HB3 ASP 48 3HB ASP 48 7.484 3.466 -13.249 375 H ILE 49 H ILE 49 3.526 2.605 -12.460 376 HA ILE 49 HA ILE 49 4.751 2.306 -9.799 377 HB ILE 49 HB ILE 49 1.880 2.663 -10.705 378 HG12 ILE 49 2HG1 ILE 49 3.773 4.551 -9.265 379 HG13 ILE 49 3HG1 ILE 49 3.434 4.606 -10.991 380 HG21 ILE 49 1HG2 ILE 49 3.095 2.306 -7.971 381 HG22 ILE 49 2HG2 ILE 49 1.689 1.509 -8.669 382 HG23 ILE 49 3HG2 ILE 49 1.589 3.191 -8.178 383 HD11 ILE 49 3HD1 ILE 49 0.913 4.723 -10.195 384 HD12 ILE 49 1HD1 ILE 49 1.909 6.177 -10.173 385 HD13 ILE 49 2HD1 ILE 49 1.631 5.270 -8.688 386 H THR 50 H THR 50 3.635 0.251 -12.188 387 HA THR 50 HA THR 50 2.131 -1.758 -11.119 388 HB THR 50 HB THR 50 4.707 -2.333 -12.597 389 HG1 THR 50 HG1 THR 50 2.341 -1.095 -13.354 390 HG21 THR 50 3HG2 THR 50 3.494 -4.247 -13.456 391 HG22 THR 50 1HG2 THR 50 2.011 -3.713 -12.664 392 HG23 THR 50 2HG2 THR 50 3.379 -4.263 -11.697 393 H GLY 51 H GLY 51 2.204 -2.924 -9.309 394 HA2 GLY 51 2HA GLY 51 3.126 -4.366 -7.671 395 HA3 GLY 51 3HA GLY 51 4.735 -4.011 -8.291 396 H MET 52 H MET 52 4.112 -4.058 -5.542 397 HA MET 52 HA MET 52 4.663 -1.212 -4.803 398 HB2 MET 52 2HB MET 52 2.275 -1.806 -4.270 399 HB3 MET 52 3HB MET 52 2.875 -3.094 -3.232 400 HG2 MET 52 2HG MET 52 4.151 -1.405 -1.915 401 HG3 MET 52 3HG MET 52 3.441 -0.135 -2.911 402 HE1 MET 52 3HE MET 52 0.740 -0.122 -3.332 403 HE2 MET 52 1HE MET 52 1.511 1.093 -2.304 404 HE3 MET 52 2HE MET 52 -0.020 0.367 -1.821 405 H TYR 53 H TYR 53 6.189 -1.002 -3.166 406 HA TYR 53 HA TYR 53 7.474 -3.540 -2.194 407 HB2 TYR 53 2HB TYR 53 8.736 -0.844 -2.796 408 HB3 TYR 53 3HB TYR 53 9.584 -2.249 -2.145 409 HD1 TYR 53 HD1 TYR 53 7.676 -0.987 -5.083 410 HD2 TYR 53 HD2 TYR 53 10.253 -4.060 -3.547 411 HE1 TYR 53 HE1 TYR 53 7.973 -1.886 -7.376 412 HE2 TYR 53 HE2 TYR 53 10.548 -4.961 -5.839 413 HH TYR 53 HH TYR 53 10.341 -3.782 -8.315 414 H LEU 54 H LEU 54 6.844 -3.789 -0.114 415 HA LEU 54 HA LEU 54 6.354 -1.445 1.616 416 HB2 LEU 54 2HB LEU 54 6.223 -4.418 2.212 417 HB3 LEU 54 3HB LEU 54 5.663 -3.132 3.281 418 HG LEU 54 HG LEU 54 4.589 -3.696 0.500 419 HD11 LEU 54 1HD1 LEU 54 3.590 -4.339 3.279 420 HD12 LEU 54 2HD1 LEU 54 3.782 -5.427 1.905 421 HD13 LEU 54 3HD1 LEU 54 2.490 -4.228 1.906 422 HD21 LEU 54 3HD2 LEU 54 4.214 -1.402 0.798 423 HD22 LEU 54 1HD2 LEU 54 4.059 -1.546 2.548 424 HD23 LEU 54 2HD2 LEU 54 2.748 -2.078 1.495 425 H ILE 55 H ILE 55 7.804 -0.656 3.052 426 HA ILE 55 HA ILE 55 10.290 -2.261 3.571 427 HB ILE 55 HB ILE 55 9.980 0.747 3.354 428 HG12 ILE 55 2HG1 ILE 55 9.946 -0.785 1.214 429 HG13 ILE 55 3HG1 ILE 55 10.991 0.630 1.242 430 HG21 ILE 55 1HG2 ILE 55 11.691 0.353 4.942 431 HG22 ILE 55 2HG2 ILE 55 12.556 0.565 3.420 432 HG23 ILE 55 3HG2 ILE 55 12.298 -1.054 4.069 433 HD11 ILE 55 3HD1 ILE 55 12.072 -2.016 2.182 434 HD12 ILE 55 1HD1 ILE 55 12.932 -0.643 1.498 435 HD13 ILE 55 2HD1 ILE 55 11.962 -1.684 0.458 436 H ASP 56 H ASP 56 10.819 -2.576 5.649 437 HA ASP 56 HA ASP 56 9.517 -0.901 7.763 438 HB2 ASP 56 2HB ASP 56 9.652 -3.923 7.577 439 HB3 ASP 56 3HB ASP 56 9.352 -3.079 9.098 440 H ASP 57 H ASP 57 12.096 -0.530 6.729 441 HA ASP 57 HA ASP 57 14.377 -0.524 7.308 442 HB2 ASP 57 2HB ASP 57 12.966 -0.342 9.981 443 HB3 ASP 57 3HB ASP 57 14.712 -0.150 9.806 444 H GLU 58 H GLU 58 12.816 -3.197 7.323 445 HA GLU 58 HA GLU 58 15.075 -4.851 7.979 446 HB2 GLU 58 2HB GLU 58 14.271 -4.406 10.289 447 HB3 GLU 58 3HB GLU 58 12.699 -5.074 9.850 448 HG2 GLU 58 2HG GLU 58 13.721 -7.238 9.338 449 HG3 GLU 58 3HG GLU 58 15.324 -6.584 9.671 450 H GLY 59 H GLY 59 14.507 -5.403 5.801 451 HA2 GLY 59 2HA GLY 59 13.754 -7.200 4.428 452 HA3 GLY 59 3HA GLY 59 12.573 -7.627 5.665 453 H GLU 60 H GLU 60 11.997 -7.399 2.864 454 HA GLU 60 HA GLU 60 9.891 -5.310 3.011 455 HB2 GLU 60 2HB GLU 60 10.388 -4.531 0.730 456 HB3 GLU 60 3HB GLU 60 11.772 -4.278 1.788 457 HG2 GLU 60 2HG GLU 60 12.801 -6.357 0.942 458 HG3 GLU 60 3HG GLU 60 11.428 -6.589 -0.140 459 H ILE 61 H ILE 61 8.123 -5.697 1.564 460 HA ILE 61 HA ILE 61 7.921 -8.574 0.717 461 HB ILE 61 HB ILE 61 5.751 -6.619 1.522 462 HG12 ILE 61 2HG1 ILE 61 6.695 -9.155 2.887 463 HG13 ILE 61 3HG1 ILE 61 7.259 -7.547 3.341 464 HG21 ILE 61 1HG2 ILE 61 4.357 -8.756 1.444 465 HG22 ILE 61 2HG2 ILE 61 5.698 -9.489 0.562 466 HG23 ILE 61 3HG2 ILE 61 4.843 -8.107 -0.122 467 HD11 ILE 61 3HD1 ILE 61 5.053 -6.856 3.972 468 HD12 ILE 61 1HD1 ILE 61 5.308 -8.437 4.706 469 HD13 ILE 61 2HD1 ILE 61 4.327 -8.291 3.248 470 H ILE 62 H ILE 62 7.550 -8.992 -1.388 471 HA ILE 62 HA ILE 62 7.145 -6.675 -3.238 472 HB ILE 62 HB ILE 62 7.987 -9.519 -3.876 473 HG12 ILE 62 2HG1 ILE 62 9.685 -8.565 -2.440 474 HG13 ILE 62 3HG1 ILE 62 10.285 -8.502 -4.095 475 HG21 ILE 62 1HG2 ILE 62 7.013 -8.203 -5.744 476 HG22 ILE 62 2HG2 ILE 62 8.722 -8.549 -5.998 477 HG23 ILE 62 3HG2 ILE 62 8.218 -6.947 -5.465 478 HD11 ILE 62 3HD1 ILE 62 9.234 -6.108 -4.127 479 HD12 ILE 62 1HD1 ILE 62 10.769 -6.349 -3.296 480 HD13 ILE 62 2HD1 ILE 62 9.272 -6.254 -2.370 481 H THR 63 H THR 63 5.128 -6.394 -3.988 482 HA THR 63 HA THR 63 3.398 -8.827 -4.364 483 HB THR 63 HB THR 63 2.592 -7.632 -2.400 484 HG1 THR 63 HG1 THR 63 1.225 -7.826 -4.732 485 HG21 THR 63 3HG2 THR 63 3.674 -5.424 -3.166 486 HG22 THR 63 1HG2 THR 63 2.107 -5.316 -2.369 487 HG23 THR 63 2HG2 THR 63 2.213 -5.186 -4.123 488 H ARG 64 H ARG 64 2.742 -9.037 -6.404 489 HA ARG 64 HA ARG 64 3.008 -6.713 -8.250 490 HB2 ARG 64 2HB ARG 64 4.001 -9.106 -8.657 491 HB3 ARG 64 3HB ARG 64 2.351 -9.537 -9.091 492 HG2 ARG 64 2HG ARG 64 3.155 -8.878 -11.172 493 HG3 ARG 64 3HG ARG 64 2.511 -7.343 -10.598 494 HD2 ARG 64 2HD ARG 64 4.740 -6.939 -11.460 495 HD3 ARG 64 3HD ARG 64 4.817 -6.804 -9.703 496 HE ARG 64 HE ARG 64 5.412 -9.492 -10.657 497 HH11 ARG 64 1HH2 ARG 64 6.620 -6.317 -10.024 498 HH12 ARG 64 2HH2 ARG 64 8.258 -6.846 -9.821 499 HH21 ARG 64 1HH1 ARG 64 7.537 -10.185 -10.393 500 HH22 ARG 64 2HH1 ARG 64 8.776 -9.032 -10.028 501 H GLU 65 H GLU 65 0.905 -6.385 -6.575 502 HA GLU 65 HA GLU 65 -1.435 -6.797 -8.382 503 HB2 GLU 65 2HB GLU 65 -1.319 -7.433 -5.418 504 HB3 GLU 65 3HB GLU 65 -2.825 -7.275 -6.325 505 HG2 GLU 65 2HG GLU 65 -2.144 -9.077 -7.832 506 HG3 GLU 65 3HG GLU 65 -0.589 -9.207 -7.008 507 H VAL 66 H VAL 66 -0.965 -4.532 -8.875 508 HA VAL 66 HA VAL 66 -1.999 -2.678 -6.764 509 HB VAL 66 HB VAL 66 0.290 -2.225 -8.691 510 HG11 VAL 66 1HG1 VAL 66 -1.341 -0.302 -7.022 511 HG12 VAL 66 2HG1 VAL 66 -0.921 -0.180 -8.731 512 HG13 VAL 66 3HG1 VAL 66 0.314 0.067 -7.498 513 HG21 VAL 66 3HG2 VAL 66 1.493 -1.709 -6.554 514 HG22 VAL 66 1HG2 VAL 66 0.925 -3.376 -6.635 515 HG23 VAL 66 2HG2 VAL 66 0.047 -2.193 -5.666 516 H LYS 67 H LYS 67 -3.602 -1.309 -7.443 517 HA LYS 67 HA LYS 67 -4.148 -1.150 -10.390 518 HB2 LYS 67 2HB LYS 67 -6.136 -1.550 -8.139 519 HB3 LYS 67 3HB LYS 67 -6.581 -1.157 -9.802 520 HG2 LYS 67 2HG LYS 67 -5.349 -3.191 -10.566 521 HG3 LYS 67 3HG LYS 67 -5.063 -3.615 -8.880 522 HD2 LYS 67 2HD LYS 67 -7.787 -3.253 -10.173 523 HD3 LYS 67 3HD LYS 67 -7.040 -4.802 -9.785 524 HE2 LYS 67 2HE LYS 67 -8.145 -2.716 -7.920 525 HE3 LYS 67 3HE LYS 67 -8.410 -4.458 -7.921 526 HZ1 LYS 67 3HZ LYS 67 -6.019 -2.968 -7.028 527 HZ2 LYS 67 1HZ LYS 67 -5.955 -4.625 -7.383 528 HZ3 LYS 67 2HZ LYS 67 -6.973 -4.062 -6.146 529 H GLY 68 H GLY 68 -4.510 0.863 -11.125 530 HA2 GLY 68 2HA GLY 68 -4.308 3.098 -9.208 531 HA3 GLY 68 3HA GLY 68 -4.150 3.216 -10.952 532 H LYS 69 H LYS 69 -5.883 4.668 -8.930 533 HA LYS 69 HA LYS 69 -8.603 3.983 -9.940 534 HB2 LYS 69 2HB LYS 69 -7.516 5.539 -7.612 535 HB3 LYS 69 3HB LYS 69 -9.104 5.987 -8.231 536 HG2 LYS 69 2HG LYS 69 -9.904 3.699 -7.925 537 HG3 LYS 69 3HG LYS 69 -8.300 3.182 -7.403 538 HD2 LYS 69 2HD LYS 69 -8.414 4.622 -5.449 539 HD3 LYS 69 3HD LYS 69 -9.950 5.299 -5.997 540 HE2 LYS 69 2HE LYS 69 -9.548 2.352 -5.443 541 HE3 LYS 69 3HE LYS 69 -10.156 3.484 -4.236 542 HZ1 LYS 69 3HZ LYS 69 -12.066 3.884 -5.462 543 HZ2 LYS 69 1HZ LYS 69 -11.833 2.216 -5.666 544 HZ3 LYS 69 2HZ LYS 69 -11.397 3.291 -6.907 545 H PHE 70 H PHE 70 -8.733 4.793 -11.957 546 HA PHE 70 HA PHE 70 -7.722 7.487 -12.602 547 HB2 PHE 70 2HB PHE 70 -9.017 5.320 -14.277 548 HB3 PHE 70 3HB PHE 70 -8.503 6.882 -14.914 549 HD1 PHE 70 HD1 PHE 70 -7.229 3.951 -12.969 550 HD2 PHE 70 HD2 PHE 70 -6.290 7.177 -15.646 551 HE1 PHE 70 HE1 PHE 70 -4.914 3.091 -13.190 552 HE2 PHE 70 HE2 PHE 70 -3.972 6.316 -15.866 553 HZ PHE 70 HZ PHE 70 -3.286 4.273 -14.638 554 H ILE 71 H ILE 71 -9.063 9.120 -13.469 555 HA ILE 71 HA ILE 71 -12.007 8.795 -13.097 556 HB ILE 71 HB ILE 71 -10.324 11.099 -12.057 557 HG12 ILE 71 2HG1 ILE 71 -12.101 9.107 -10.611 558 HG13 ILE 71 3HG1 ILE 71 -10.344 9.002 -10.680 559 HG21 ILE 71 1HG2 ILE 71 -12.552 11.919 -11.201 560 HG22 ILE 71 2HG2 ILE 71 -13.325 10.667 -12.170 561 HG23 ILE 71 3HG2 ILE 71 -12.417 11.955 -12.955 562 HD11 ILE 71 3HD1 ILE 71 -10.706 10.106 -8.642 563 HD12 ILE 71 1HD1 ILE 71 -12.060 11.039 -9.278 564 HD13 ILE 71 2HD1 ILE 71 -10.410 11.448 -9.747 565 H ASN 72 H ASN 72 -13.239 10.084 -14.517 566 HA ASN 72 HA ASN 72 -12.198 10.575 -17.087 567 HB2 ASN 72 2HB ASN 72 -14.255 12.052 -17.366 568 HB3 ASN 72 3HB ASN 72 -14.570 10.406 -16.822 569 HD21 ASN 72 1HD2 ASN 72 -14.809 13.783 -15.931 570 HD22 ASN 72 2HD2 ASN 72 -15.511 13.534 -14.405 571 H GLY 73 H GLY 73 -11.337 12.208 -14.345 572 HA2 GLY 73 2HA GLY 73 -10.589 14.666 -15.884 573 HA3 GLY 73 3HA GLY 73 -11.152 14.752 -14.214 574 H ARG 74 H ARG 74 -8.768 12.875 -16.082 575 HA ARG 74 HA ARG 74 -6.560 12.349 -15.646 576 HB2 ARG 74 2HB ARG 74 -6.389 14.843 -15.557 577 HB3 ARG 74 3HB ARG 74 -6.599 14.753 -13.809 578 HG2 ARG 74 2HG ARG 74 -4.604 13.260 -13.684 579 HG3 ARG 74 3HG ARG 74 -4.361 13.504 -15.418 580 HD2 ARG 74 2HD ARG 74 -2.946 15.032 -14.100 581 HD3 ARG 74 3HD ARG 74 -4.129 15.918 -15.062 582 HE ARG 74 HE ARG 74 -5.218 16.575 -13.058 583 HH11 ARG 74 1HH2 ARG 74 -2.847 14.114 -12.532 584 HH12 ARG 74 2HH2 ARG 74 -2.877 14.279 -10.808 585 HH21 ARG 74 1HH1 ARG 74 -5.257 16.798 -10.820 586 HH22 ARG 74 2HH1 ARG 74 -4.238 15.798 -9.839 587 HA PRO 75 HA PRO 75 -6.818 9.552 -12.144 588 HB2 PRO 75 2HB PRO 75 -3.860 10.053 -11.981 589 HB3 PRO 75 3HB PRO 75 -4.742 8.512 -11.971 590 HG2 PRO 75 2HG PRO 75 -3.453 9.453 -14.156 591 HG3 PRO 75 3HG PRO 75 -4.895 8.440 -14.249 592 HD2 PRO 75 2HD PRO 75 -4.613 11.290 -14.904 593 HD3 PRO 75 3HD PRO 75 -5.908 10.165 -15.350 594 H THR 76 H THR 76 -7.086 9.846 -9.968 595 HA THR 76 HA THR 76 -5.883 12.280 -8.693 596 HB THR 76 HB THR 76 -8.679 11.234 -8.194 597 HG1 THR 76 HG1 THR 76 -9.075 13.362 -9.360 598 HG21 THR 76 3HG2 THR 76 -7.195 13.753 -7.418 599 HG22 THR 76 1HG2 THR 76 -7.805 12.500 -6.338 600 HG23 THR 76 2HG2 THR 76 -8.933 13.538 -7.210 601 H ALA 77 H ALA 77 -6.604 8.869 -8.535 602 HA ALA 77 HA ALA 77 -5.218 8.806 -5.904 603 HB1 ALA 77 3HB ALA 77 -7.530 8.997 -5.205 604 HB2 ALA 77 1HB ALA 77 -7.001 7.338 -4.934 605 HB3 ALA 77 2HB ALA 77 -8.017 7.722 -6.324 606 H ILE 78 H ILE 78 -4.776 6.538 -5.218 607 HA ILE 78 HA ILE 78 -4.698 4.608 -7.502 608 HB ILE 78 HB ILE 78 -2.378 5.424 -5.735 609 HG12 ILE 78 2HG1 ILE 78 -2.579 5.266 -8.751 610 HG13 ILE 78 3HG1 ILE 78 -2.944 6.734 -7.845 611 HG21 ILE 78 1HG2 ILE 78 -1.168 3.616 -7.120 612 HG22 ILE 78 2HG2 ILE 78 -2.773 2.994 -7.492 613 HG23 ILE 78 3HG2 ILE 78 -2.219 3.053 -5.823 614 HD11 ILE 78 3HD1 ILE 78 -0.726 6.979 -7.106 615 HD12 ILE 78 1HD1 ILE 78 -0.527 6.414 -8.765 616 HD13 ILE 78 2HD1 ILE 78 -0.331 5.289 -7.421 617 H GLU 79 H GLU 79 -4.594 2.383 -6.810 618 HA GLU 79 HA GLU 79 -5.163 1.941 -3.900 619 HB2 GLU 79 2HB GLU 79 -7.277 1.974 -5.192 620 HB3 GLU 79 3HB GLU 79 -6.653 0.683 -6.218 621 HG2 GLU 79 2HG GLU 79 -6.458 -0.802 -4.279 622 HG3 GLU 79 3HG GLU 79 -6.998 0.492 -3.211 623 H ALA 80 H ALA 80 -4.585 -0.111 -3.111 624 HA ALA 80 HA ALA 80 -3.095 -1.919 -4.943 625 HB1 ALA 80 3HB ALA 80 -1.140 -1.955 -3.597 626 HB2 ALA 80 1HB ALA 80 -1.944 -1.118 -2.269 627 HB3 ALA 80 2HB ALA 80 -1.544 -0.245 -3.746 628 H THR 81 H THR 81 -3.177 -4.087 -4.299 629 HA THR 81 HA THR 81 -4.762 -4.676 -1.814 630 HB THR 81 HB THR 81 -4.899 -6.071 -4.500 631 HG1 THR 81 HG1 THR 81 -6.707 -4.996 -4.763 632 HG21 THR 81 3HG2 THR 81 -6.133 -6.653 -1.806 633 HG22 THR 81 1HG2 THR 81 -5.187 -7.736 -2.827 634 HG23 THR 81 2HG2 THR 81 -6.819 -7.274 -3.308 635 H VAL 82 H VAL 82 -3.730 -6.004 -0.434 636 HA VAL 82 HA VAL 82 -1.534 -7.760 -1.495 637 HB VAL 82 HB VAL 82 -1.622 -6.267 1.143 638 HG11 VAL 82 1HG1 VAL 82 -0.523 -8.388 1.450 639 HG12 VAL 82 2HG1 VAL 82 0.743 -7.172 1.296 640 HG13 VAL 82 3HG1 VAL 82 0.354 -8.217 -0.070 641 HG21 VAL 82 3HG2 VAL 82 0.364 -5.097 0.174 642 HG22 VAL 82 1HG2 VAL 82 -1.108 -4.797 -0.748 643 HG23 VAL 82 2HG2 VAL 82 0.088 -5.947 -1.345 644 H ILE 83 H ILE 83 -1.807 -9.856 -1.036 645 HA ILE 83 HA ILE 83 -4.063 -10.684 0.668 646 HB ILE 83 HB ILE 83 -2.141 -12.156 -1.146 647 HG12 ILE 83 2HG1 ILE 83 -4.209 -12.618 -2.409 648 HG13 ILE 83 3HG1 ILE 83 -5.150 -11.746 -1.200 649 HG21 ILE 83 1HG2 ILE 83 -3.742 -14.134 -0.641 650 HG22 ILE 83 2HG2 ILE 83 -4.171 -13.235 0.814 651 HG23 ILE 83 3HG2 ILE 83 -2.505 -13.755 0.557 652 HD11 ILE 83 3HD1 ILE 83 -4.287 -9.666 -1.836 653 HD12 ILE 83 1HD1 ILE 83 -4.410 -10.501 -3.383 654 HD13 ILE 83 2HD1 ILE 83 -2.849 -10.374 -2.577 655 H LEU 84 H LEU 84 -3.822 -11.301 2.743 656 HA LEU 84 HA LEU 84 -1.063 -11.827 3.793 657 HB2 LEU 84 2HB LEU 84 -3.573 -10.984 5.277 658 HB3 LEU 84 3HB LEU 84 -1.957 -11.148 5.968 659 HG LEU 84 HG LEU 84 -2.713 -9.235 3.735 660 HD11 LEU 84 1HD1 LEU 84 -3.698 -8.517 5.838 661 HD12 LEU 84 2HD1 LEU 84 -2.311 -7.488 5.480 662 HD13 LEU 84 3HD1 LEU 84 -2.172 -8.771 6.683 663 HD21 LEU 84 3HD2 LEU 84 -0.427 -9.655 3.411 664 HD22 LEU 84 1HD2 LEU 84 -0.124 -9.920 5.127 665 HD23 LEU 84 2HD2 LEU 84 -0.377 -8.288 4.513 666 H ASN 85 H ASN 85 -2.597 -13.800 2.391 667 HA ASN 85 HA ASN 85 -4.014 -15.572 4.134 668 HB2 ASN 85 2HB ASN 85 -2.525 -15.972 1.531 669 HB3 ASN 85 3HB ASN 85 -3.326 -17.310 2.357 670 HD21 ASN 85 1HD2 ASN 85 -4.207 -16.439 -0.219 671 HD22 ASN 85 2HD2 ASN 85 -5.746 -15.740 -0.057 672 H SER 86 H SER 86 -0.590 -15.303 3.248 673 HA SER 86 HA SER 86 0.253 -17.685 4.610 674 HB2 SER 86 2HB SER 86 1.691 -15.206 3.677 675 HB3 SER 86 3HB SER 86 2.536 -16.488 4.537 676 HG SER 86 HG SER 86 2.669 -17.304 2.593 677 H GLN 87 H GLN 87 1.380 -17.851 6.609 678 HA GLN 87 HA GLN 87 0.249 -16.276 8.748 679 HB2 GLN 87 2HB GLN 87 2.115 -18.590 8.488 680 HB3 GLN 87 3HB GLN 87 2.243 -17.660 9.980 681 HG2 GLN 87 2HG GLN 87 0.624 -19.591 10.092 682 HG3 GLN 87 3HG GLN 87 -0.088 -18.028 10.490 683 HE21 GLN 87 1HE2 GLN 87 -2.192 -18.120 9.669 684 HE22 GLN 87 2HE2 GLN 87 -2.590 -18.584 8.086 685 HA PRO 88 HA PRO 88 4.817 -14.642 9.343 686 HB2 PRO 88 2HB PRO 88 6.247 -14.599 6.910 687 HB3 PRO 88 3HB PRO 88 6.499 -15.750 8.235 688 HG2 PRO 88 2HG PRO 88 4.929 -16.074 5.719 689 HG3 PRO 88 3HG PRO 88 5.931 -17.255 6.587 690 HD2 PRO 88 2HD PRO 88 3.262 -17.349 6.736 691 HD3 PRO 88 3HD PRO 88 4.256 -17.725 8.154 692 H GLU 89 H GLU 89 3.101 -14.253 6.287 693 HA GLU 89 HA GLU 89 3.818 -11.508 5.839 694 HB2 GLU 89 2HB GLU 89 1.424 -13.145 4.955 695 HB3 GLU 89 3HB GLU 89 1.754 -11.514 4.377 696 HG2 GLU 89 2HG GLU 89 3.649 -13.870 4.093 697 HG3 GLU 89 3HG GLU 89 2.601 -13.255 2.814 698 H TRP 90 H TRP 90 1.130 -13.051 7.568 699 HA TRP 90 HA TRP 90 -0.309 -10.636 8.110 700 HB2 TRP 90 2HB TRP 90 -0.451 -13.450 8.855 701 HB3 TRP 90 3HB TRP 90 -0.779 -12.452 10.266 702 HD1 TRP 90 HD1 TRP 90 -2.683 -14.145 7.876 703 HE1 TRP 90 HE1 TRP 90 -4.885 -12.943 7.279 704 HE3 TRP 90 HE3 TRP 90 -1.650 -9.483 9.678 705 HZ2 TRP 90 HZ2 TRP 90 -6.050 -10.339 7.532 706 HZ3 TRP 90 HZ3 TRP 90 -3.318 -7.661 9.488 707 HH2 TRP 90 HH2 TRP 90 -5.516 -8.082 8.417 708 H ASP 91 H ASP 91 2.147 -12.386 10.007 709 HA ASP 91 HA ASP 91 2.089 -10.660 12.278 710 HB2 ASP 91 2HB ASP 91 3.217 -12.840 12.308 711 HB3 ASP 91 3HB ASP 91 4.387 -12.266 11.120 712 H ARG 92 H ARG 92 4.112 -10.618 9.360 713 HA ARG 92 HA ARG 92 5.615 -8.279 10.057 714 HB2 ARG 92 2HB ARG 92 4.938 -9.580 7.406 715 HB3 ARG 92 3HB ARG 92 6.036 -8.210 7.545 716 HG2 ARG 92 2HG ARG 92 6.505 -10.632 9.281 717 HG3 ARG 92 3HG ARG 92 6.978 -10.693 7.585 718 HD2 ARG 92 2HD ARG 92 7.835 -8.462 9.447 719 HD3 ARG 92 3HD ARG 92 8.798 -9.910 9.163 720 HE ARG 92 HE ARG 92 8.127 -8.822 6.633 721 HH11 ARG 92 1HH2 ARG 92 9.903 -8.044 9.486 722 HH12 ARG 92 2HH2 ARG 92 11.078 -7.085 8.649 723 HH21 ARG 92 1HH1 ARG 92 9.646 -7.580 5.531 724 HH22 ARG 92 2HH1 ARG 92 10.933 -6.823 6.408 725 H PHE 93 H PHE 93 2.592 -8.780 8.304 726 HA PHE 93 HA PHE 93 2.230 -6.108 7.379 727 HB2 PHE 93 2HB PHE 93 0.906 -8.133 6.662 728 HB3 PHE 93 3HB PHE 93 0.052 -8.043 8.204 729 HD1 PHE 93 HD1 PHE 93 0.710 -6.297 5.011 730 HD2 PHE 93 HD2 PHE 93 -1.575 -6.319 8.646 731 HE1 PHE 93 HE1 PHE 93 -0.792 -4.568 4.074 732 HE2 PHE 93 HE2 PHE 93 -3.077 -4.580 7.711 733 HZ PHE 93 HZ PHE 93 -2.682 -3.702 5.427 734 H MET 94 H MET 94 1.203 -7.714 10.384 735 HA MET 94 HA MET 94 -0.238 -5.518 11.493 736 HB2 MET 94 2HB MET 94 -0.317 -7.836 12.392 737 HB3 MET 94 3HB MET 94 1.344 -7.654 12.958 738 HG2 MET 94 2HG MET 94 0.694 -5.822 14.423 739 HG3 MET 94 3HG MET 94 -0.954 -5.860 13.795 740 HE1 MET 94 3HE MET 94 -2.745 -6.902 14.912 741 HE2 MET 94 1HE MET 94 -2.743 -8.580 15.469 742 HE3 MET 94 2HE MET 94 -2.361 -8.205 13.792 743 H ARG 95 H ARG 95 3.195 -6.378 11.584 744 HA ARG 95 HA ARG 95 4.021 -4.393 13.471 745 HB2 ARG 95 2HB ARG 95 5.477 -5.759 11.192 746 HB3 ARG 95 3HB ARG 95 6.275 -4.667 12.321 747 HG2 ARG 95 2HG ARG 95 5.616 -6.100 14.205 748 HG3 ARG 95 3HG ARG 95 4.759 -7.177 13.102 749 HD2 ARG 95 2HD ARG 95 6.961 -8.117 13.601 750 HD3 ARG 95 3HD ARG 95 6.909 -7.615 11.911 751 HE ARG 95 HE ARG 95 7.909 -5.459 13.514 752 HH11 ARG 95 1HH2 ARG 95 8.723 -8.588 12.294 753 HH12 ARG 95 2HH2 ARG 95 10.426 -8.273 12.267 754 HH21 ARG 95 1HH1 ARG 95 10.122 -5.044 13.483 755 HH22 ARG 95 2HH1 ARG 95 11.218 -6.270 12.939 756 H PHE 96 H PHE 96 3.594 -4.312 9.950 757 HA PHE 96 HA PHE 96 4.704 -1.723 9.474 758 HB2 PHE 96 2HB PHE 96 4.201 -3.198 7.616 759 HB3 PHE 96 3HB PHE 96 2.495 -3.241 8.053 760 HD1 PHE 96 HD1 PHE 96 5.206 -1.140 6.658 761 HD2 PHE 96 HD2 PHE 96 1.011 -1.402 7.546 762 HE1 PHE 96 HE1 PHE 96 4.786 0.882 5.282 763 HE2 PHE 96 HE2 PHE 96 0.592 0.615 6.169 764 HZ PHE 96 HZ PHE 96 2.477 1.758 5.037 765 H MET 97 H MET 97 1.384 -2.749 10.239 766 HA MET 97 HA MET 97 0.202 -0.149 10.139 767 HB2 MET 97 2HB MET 97 -0.525 -2.696 11.595 768 HB3 MET 97 3HB MET 97 -1.522 -1.244 11.699 769 HG2 MET 97 2HG MET 97 -1.780 -1.225 9.254 770 HG3 MET 97 3HG MET 97 -0.741 -2.643 9.124 771 HE1 MET 97 3HE MET 97 -3.707 -2.085 11.980 772 HE2 MET 97 1HE MET 97 -4.958 -2.231 10.738 773 HE3 MET 97 2HE MET 97 -3.692 -1.017 10.578 774 H GLU 98 H GLU 98 1.692 -1.979 12.800 775 HA GLU 98 HA GLU 98 1.115 0.012 14.817 776 HB2 GLU 98 2HB GLU 98 1.651 -2.384 15.312 777 HB3 GLU 98 3HB GLU 98 3.309 -2.084 14.786 778 HG2 GLU 98 2HG GLU 98 3.586 -0.385 16.529 779 HG3 GLU 98 3HG GLU 98 1.912 -0.608 17.037 780 H ARG 99 H ARG 99 4.016 -0.768 12.904 781 HA ARG 99 HA ARG 99 5.640 1.321 14.020 782 HB2 ARG 99 2HB ARG 99 6.414 -0.736 12.707 783 HB3 ARG 99 3HB ARG 99 5.936 0.138 11.255 784 HG2 ARG 99 2HG ARG 99 8.163 0.789 11.390 785 HG3 ARG 99 3HG ARG 99 7.416 2.083 12.321 786 HD2 ARG 99 2HD ARG 99 7.859 0.777 14.409 787 HD3 ARG 99 3HD ARG 99 8.695 -0.432 13.440 788 HE ARG 99 HE ARG 99 9.689 2.260 14.102 789 HH11 ARG 99 1HH2 ARG 99 9.910 -0.581 12.146 790 HH12 ARG 99 2HH2 ARG 99 11.560 -0.301 11.706 791 HH21 ARG 99 1HH1 ARG 99 11.830 2.631 13.536 792 HH22 ARG 99 2HH1 ARG 99 12.647 1.517 12.492 793 H TYR 100 H TYR 100 3.614 1.154 11.101 794 HA TYR 100 HA TYR 100 4.320 3.689 10.017 795 HB2 TYR 100 2HB TYR 100 3.020 2.075 8.729 796 HB3 TYR 100 3HB TYR 100 1.697 2.167 9.893 797 HD1 TYR 100 HD1 TYR 100 3.470 3.924 7.181 798 HD2 TYR 100 HD2 TYR 100 0.253 4.125 10.019 799 HE1 TYR 100 HE1 TYR 100 2.523 5.871 5.970 800 HE2 TYR 100 HE2 TYR 100 -0.695 6.071 8.813 801 HH TYR 100 HH TYR 100 0.924 7.923 6.757 802 H GLY 101 H GLY 101 1.706 2.774 12.256 803 HA2 GLY 101 2HA GLY 101 0.734 5.467 12.591 804 HA3 GLY 101 3HA GLY 101 0.360 4.105 13.647 805 H ALA 102 H ALA 102 3.248 3.559 14.088 806 HA ALA 102 HA ALA 102 3.628 5.052 16.485 807 HB1 ALA 102 3HB ALA 102 4.678 2.829 15.891 808 HB2 ALA 102 1HB ALA 102 5.794 4.004 16.585 809 HB3 ALA 102 2HB ALA 102 5.791 3.712 14.847 810 H GLU 103 H GLU 103 5.258 5.365 13.320 811 HA GLU 103 HA GLU 103 6.748 7.711 14.112 812 HB2 GLU 103 2HB GLU 103 7.171 7.936 11.634 813 HB3 GLU 103 3HB GLU 103 7.600 6.358 12.294 814 HG2 GLU 103 2HG GLU 103 5.331 5.527 11.557 815 HG3 GLU 103 3HG GLU 103 5.096 7.063 10.735 816 H ASN 104 H ASN 104 3.835 7.259 12.088 817 HA ASN 104 HA ASN 104 2.480 9.554 13.027 818 HB2 ASN 104 2HB ASN 104 2.801 10.989 10.903 819 HB3 ASN 104 3HB ASN 104 4.112 11.005 12.070 820 HD21 ASN 104 1HD2 ASN 104 3.336 10.388 8.788 821 HD22 ASN 104 2HD2 ASN 104 4.805 9.665 8.336 822 H GLY 105 H GLY 105 1.101 10.392 10.802 823 HA2 GLY 105 2HA GLY 105 -0.458 9.759 9.156 824 HA3 GLY 105 3HA GLY 105 0.287 8.162 9.117 825 H LEU 106 H LEU 106 0.005 7.230 11.638 826 HA LEU 106 HA LEU 106 -1.595 6.028 12.877 827 HB2 LEU 106 2HB LEU 106 -2.561 8.893 13.009 828 HB3 LEU 106 3HB LEU 106 -3.308 7.599 13.946 829 HG LEU 106 HG LEU 106 -1.140 7.081 14.987 830 HD11 LEU 106 1HD1 LEU 106 -0.187 9.233 13.098 831 HD12 LEU 106 2HD1 LEU 106 0.503 7.637 13.397 832 HD13 LEU 106 3HD1 LEU 106 0.686 8.910 14.597 833 HD21 LEU 106 3HD2 LEU 106 -1.835 10.034 15.120 834 HD22 LEU 106 1HD2 LEU 106 -0.918 9.139 16.331 835 HD23 LEU 106 2HD2 LEU 106 -2.618 8.757 16.050 836 H GLY 107 H GLY 107 -2.075 6.446 9.905 837 HA2 GLY 107 2HA GLY 107 -4.733 6.820 9.193 838 HA3 GLY 107 3HA GLY 107 -3.692 5.634 8.406 839 H PHE 108 H PHE 108 -6.430 6.050 10.358 840 HA PHE 108 HA PHE 108 -6.343 3.295 11.459 841 HB2 PHE 108 2HB PHE 108 -8.413 3.964 12.631 842 HB3 PHE 108 3HB PHE 108 -7.106 5.107 12.930 843 HD1 PHE 108 HD1 PHE 108 -7.119 7.344 11.919 844 HD2 PHE 108 HD2 PHE 108 -10.333 4.574 11.244 845 HE1 PHE 108 HE1 PHE 108 -8.527 9.190 11.051 846 HE2 PHE 108 HE2 PHE 108 -11.740 6.421 10.373 847 HZ PHE 108 HZ PHE 108 -10.838 8.729 10.277 848 H SER 109 H SER 109 -7.467 1.634 10.578 849 HA SER 109 HA SER 109 -8.916 2.097 8.055 850 HB2 SER 109 2HB SER 109 -8.918 -0.323 7.861 851 HB3 SER 109 3HB SER 109 -7.313 0.192 8.371 852 HG SER 109 HG SER 109 -8.913 -1.508 9.573 853 H LYS 110 H LYS 110 -11.007 2.683 8.187 854 HA LYS 110 HA LYS 110 -12.636 2.273 10.529 855 HB2 LYS 110 2HB LYS 110 -12.953 4.142 8.911 856 HB3 LYS 110 3HB LYS 110 -13.503 2.973 7.711 857 HG2 LYS 110 2HG LYS 110 -15.354 2.303 9.172 858 HG3 LYS 110 3HG LYS 110 -14.792 3.415 10.422 859 HD2 LYS 110 2HD LYS 110 -15.134 5.316 8.877 860 HD3 LYS 110 3HD LYS 110 -15.718 4.200 7.640 861 HE2 LYS 110 2HE LYS 110 -17.549 3.495 9.146 862 HE3 LYS 110 3HE LYS 110 -16.972 4.625 10.371 863 HZ1 LYS 110 3HZ LYS 110 -17.238 6.391 8.617 864 HZ2 LYS 110 1HZ LYS 110 -18.677 5.730 9.224 865 HZ3 LYS 110 2HZ LYS 110 -18.096 5.245 7.702 866 H SER 111 H SER 111 -13.694 0.466 11.096 867 HA SER 111 HA SER 111 -15.398 -1.114 9.617 868 HB2 SER 111 2HB SER 111 -13.949 -1.992 8.036 869 HB3 SER 111 3HB SER 111 -12.538 -1.785 9.071 870 HG SER 111 HG SER 111 -13.006 -3.967 8.918 871 H GLU 112 H GLU 112 -12.523 -2.290 11.382 872 HA GLU 112 HA GLU 112 -14.341 -3.483 13.427 873 HB2 GLU 112 2HB GLU 112 -11.422 -3.949 12.754 874 HB3 GLU 112 3HB GLU 112 -12.253 -4.723 14.104 875 HG2 GLU 112 2HG GLU 112 -13.151 -4.919 11.212 876 HG3 GLU 112 3HG GLU 112 -12.182 -6.140 12.036 877 H LEU 113 H LEU 113 -11.900 -1.026 12.996 878 HA LEU 113 HA LEU 113 -11.143 -0.696 15.740 879 HB2 LEU 113 2HB LEU 113 -11.290 1.455 13.607 880 HB3 LEU 113 3HB LEU 113 -10.287 1.468 15.057 881 HG LEU 113 HG LEU 113 -10.072 -0.540 12.794 882 HD11 LEU 113 1HD1 LEU 113 -9.299 1.776 12.237 883 HD12 LEU 113 2HD1 LEU 113 -7.991 0.591 12.235 884 HD13 LEU 113 3HD1 LEU 113 -8.182 1.692 13.600 885 HD21 LEU 113 3HD2 LEU 113 -8.694 -0.233 15.462 886 HD22 LEU 113 1HD2 LEU 113 -7.829 -0.957 14.106 887 HD23 LEU 113 2HD2 LEU 113 -9.316 -1.693 14.694 888 H GLU 114 H GLU 114 -13.756 0.747 13.797 889 HA GLU 114 HA GLU 114 -14.734 2.206 16.191 890 HB2 GLU 114 2HB GLU 114 -15.599 2.218 13.288 891 HB3 GLU 114 3HB GLU 114 -16.408 3.140 14.560 892 HG2 GLU 114 2HG GLU 114 -14.324 4.321 15.074 893 HG3 GLU 114 3HG GLU 114 -13.465 3.366 13.865 894 H HIS 115 H HIS 115 -16.133 1.237 17.505 895 HA HIS 115 HA HIS 115 -18.375 -0.341 16.439 896 HB2 HIS 115 2HB HIS 115 -16.482 -1.987 16.704 897 HB3 HIS 115 3HB HIS 115 -16.439 -1.585 18.420 898 HD1 HIS 115 HD1 HIS 115 -18.401 -2.403 19.901 899 HD2 HIS 115 HD2 HIS 115 -18.764 -3.505 15.896 900 HE1 HIS 115 HE1 HIS 115 -20.267 -4.112 19.794 901 H HIS 116 H HIS 116 -16.598 0.310 19.482 902 HA HIS 116 HA HIS 116 -19.047 0.467 21.029 903 HB2 HIS 116 2HB HIS 116 -16.835 -0.231 21.969 904 HB3 HIS 116 3HB HIS 116 -16.282 1.435 21.795 905 HD1 HIS 116 HD1 HIS 116 -17.307 3.215 23.387 906 HD2 HIS 116 HD2 HIS 116 -18.737 -0.643 24.052 907 HE1 HIS 116 HE1 HIS 116 -18.541 3.280 25.598 908 H HIS 117 H HIS 117 -20.210 2.249 21.622 909 HA HIS 117 HA HIS 117 -19.127 4.958 21.146 910 HB2 HIS 117 2HB HIS 117 -21.117 5.609 19.804 911 HB3 HIS 117 3HB HIS 117 -20.129 4.401 18.986 912 HD1 HIS 117 HD1 HIS 117 -21.004 1.822 19.341 913 HD2 HIS 117 HD2 HIS 117 -23.765 4.854 20.093 914 HE1 HIS 117 HE1 HIS 117 -23.293 0.737 19.289 915 H HIS 118 H HIS 118 -20.256 6.565 22.345 916 HA HIS 118 HA HIS 118 -22.642 5.816 23.878 917 HB2 HIS 118 2HB HIS 118 -21.617 6.252 26.080 918 HB3 HIS 118 3HB HIS 118 -20.890 4.854 25.291 919 HD1 HIS 118 HD1 HIS 118 -19.273 6.268 27.424 920 HD2 HIS 118 HD2 HIS 118 -19.059 7.347 23.404 921 HE1 HIS 118 HE1 HIS 118 -17.049 7.434 27.109 922 H HIS 119 H HIS 119 -23.426 7.651 25.207 923 HA HIS 119 HA HIS 119 -24.113 9.885 25.300 924 HB2 HIS 119 2HB HIS 119 -21.903 10.107 26.389 925 HB3 HIS 119 3HB HIS 119 -21.157 10.367 24.811 926 HD1 HIS 119 HD1 HIS 119 -23.762 11.943 27.097 927 HD2 HIS 119 HD2 HIS 119 -21.289 12.994 23.909 928 HE1 HIS 119 HE1 HIS 119 -24.003 14.448 26.798 929 H HIS 120 H HIS 120 -23.476 8.423 22.569 930 HA HIS 120 HA HIS 120 -22.849 10.245 20.555 931 HB2 HIS 120 2HB HIS 120 -23.347 7.836 20.189 932 HB3 HIS 120 3HB HIS 120 -25.060 8.169 20.452 933 HD1 HIS 120 HD1 HIS 120 -26.361 9.295 18.556 934 HD2 HIS 120 HD2 HIS 120 -22.285 8.958 17.750 935 HE1 HIS 120 HE1 HIS 120 -26.057 9.930 16.123 Start of MODEL 17 1 H1 MET 1 1H MET 1 13.301 2.893 9.019 2 H2 MET 1 2H MET 1 12.372 2.398 10.352 3 H3 MET 1 3H MET 1 13.472 3.682 10.511 4 HA MET 1 HA MET 1 11.098 4.371 10.338 5 HB2 MET 1 2HB MET 1 13.061 5.837 9.766 6 HB3 MET 1 3HB MET 1 12.902 5.316 8.089 7 HG2 MET 1 2HG MET 1 11.721 7.413 8.322 8 HG3 MET 1 3HG MET 1 10.519 6.138 8.143 9 HE1 MET 1 3HE MET 1 11.079 9.276 9.843 10 HE2 MET 1 1HE MET 1 12.474 8.428 10.526 11 HE3 MET 1 2HE MET 1 11.175 8.983 11.578 12 H ALA 2 H ALA 2 9.370 3.228 9.589 13 HA ALA 2 HA ALA 2 9.372 1.764 7.113 14 HB1 ALA 2 3HB ALA 2 6.975 2.697 8.710 15 HB2 ALA 2 1HB ALA 2 7.916 1.256 9.097 16 HB3 ALA 2 2HB ALA 2 7.031 1.349 7.574 17 H GLU 3 H GLU 3 8.630 2.333 5.104 18 HA GLU 3 HA GLU 3 7.126 4.825 4.714 19 HB2 GLU 3 2HB GLU 3 8.794 5.785 3.152 20 HB3 GLU 3 3HB GLU 3 9.436 5.661 4.790 21 HG2 GLU 3 2HG GLU 3 10.550 3.529 4.176 22 HG3 GLU 3 3HG GLU 3 9.943 3.704 2.528 23 H ILE 4 H ILE 4 6.120 4.881 2.659 24 HA ILE 4 HA ILE 4 6.272 2.301 1.134 25 HB ILE 4 HB ILE 4 4.047 4.357 1.299 26 HG12 ILE 4 2HG1 ILE 4 4.169 1.523 2.366 27 HG13 ILE 4 3HG1 ILE 4 4.487 2.947 3.354 28 HG21 ILE 4 1HG2 ILE 4 2.798 2.397 0.159 29 HG22 ILE 4 2HG2 ILE 4 4.399 1.775 -0.234 30 HG23 ILE 4 3HG2 ILE 4 3.891 3.350 -0.843 31 HD11 ILE 4 3HD1 ILE 4 2.126 2.144 3.540 32 HD12 ILE 4 1HD1 ILE 4 1.915 2.467 1.820 33 HD13 ILE 4 2HD1 ILE 4 2.243 3.794 2.933 34 H GLN 5 H GLN 5 7.074 2.401 -0.908 35 HA GLN 5 HA GLN 5 6.882 4.951 -2.427 36 HB2 GLN 5 2HB GLN 5 9.404 4.496 -3.059 37 HB3 GLN 5 3HB GLN 5 9.022 5.347 -1.563 38 HG2 GLN 5 2HG GLN 5 9.230 3.271 -0.286 39 HG3 GLN 5 3HG GLN 5 9.515 2.363 -1.772 40 HE21 GLN 5 1HE2 GLN 5 11.350 2.861 0.615 41 HE22 GLN 5 2HE2 GLN 5 12.761 3.521 -0.061 42 H PHE 6 H PHE 6 7.207 4.644 -4.706 43 HA PHE 6 HA PHE 6 6.830 1.807 -5.606 44 HB2 PHE 6 2HB PHE 6 6.007 4.406 -6.936 45 HB3 PHE 6 3HB PHE 6 5.691 2.786 -7.559 46 HD1 PHE 6 HD2 PHE 6 4.086 1.290 -6.445 47 HD2 PHE 6 HD1 PHE 6 4.786 5.285 -5.026 48 HE1 PHE 6 HE2 PHE 6 2.033 1.161 -5.061 49 HE2 PHE 6 HE1 PHE 6 2.733 5.153 -3.641 50 HZ PHE 6 HZ PHE 6 1.355 3.091 -3.658 51 H SER 7 H SER 7 8.509 4.867 -6.254 52 HA SER 7 HA SER 7 10.104 3.613 -8.411 53 HB2 SER 7 2HB SER 7 9.254 5.980 -8.572 54 HB3 SER 7 3HB SER 7 10.333 6.406 -7.247 55 HG SER 7 HG SER 7 10.901 5.671 -9.889 56 H LYS 8 H LYS 8 10.277 2.879 -5.455 57 HA LYS 8 HA LYS 8 11.940 2.411 -3.869 58 HB2 LYS 8 2HB LYS 8 13.526 2.367 -6.453 59 HB3 LYS 8 3HB LYS 8 14.180 1.839 -4.901 60 HG2 LYS 8 2HG LYS 8 12.385 0.170 -4.690 61 HG3 LYS 8 3HG LYS 8 11.694 0.707 -6.221 62 HD2 LYS 8 2HD LYS 8 13.796 0.079 -7.377 63 HD3 LYS 8 3HD LYS 8 14.453 -0.499 -5.844 64 HE2 LYS 8 2HE LYS 8 11.892 -1.550 -7.079 65 HE3 LYS 8 3HE LYS 8 13.465 -2.317 -7.287 66 HZ1 LYS 8 3HZ LYS 8 12.572 -3.418 -5.481 67 HZ2 LYS 8 1HZ LYS 8 11.864 -2.021 -4.831 68 HZ3 LYS 8 2HZ LYS 8 13.546 -2.241 -4.738 69 H GLY 9 H GLY 9 11.351 5.216 -4.356 70 HA2 GLY 9 2HA GLY 9 13.068 6.574 -2.730 71 HA3 GLY 9 3HA GLY 9 13.907 6.655 -4.282 72 H VAL 10 H VAL 10 10.408 6.705 -3.692 73 HA VAL 10 HA VAL 10 9.862 8.772 -5.549 74 HB VAL 10 HB VAL 10 8.328 7.977 -3.056 75 HG11 VAL 10 1HG1 VAL 10 7.563 9.665 -5.452 76 HG12 VAL 10 2HG1 VAL 10 7.538 10.142 -3.756 77 HG13 VAL 10 3HG1 VAL 10 6.382 8.956 -4.352 78 HG21 VAL 10 3HG2 VAL 10 8.563 6.102 -4.543 79 HG22 VAL 10 1HG2 VAL 10 8.205 7.100 -5.950 80 HG23 VAL 10 2HG2 VAL 10 6.938 6.745 -4.775 81 H ALA 11 H ALA 11 9.017 9.399 -2.191 82 HA ALA 11 HA ALA 11 10.935 11.416 -1.611 83 HB1 ALA 11 3HB ALA 11 9.284 13.397 -1.961 84 HB2 ALA 11 1HB ALA 11 8.461 12.316 -3.086 85 HB3 ALA 11 2HB ALA 11 10.136 12.780 -3.373 86 H GLU 12 H GLU 12 7.796 12.604 -1.122 87 HA GLU 12 HA GLU 12 7.918 12.405 1.708 88 HB2 GLU 12 2HB GLU 12 5.571 12.852 -0.158 89 HB3 GLU 12 3HB GLU 12 5.473 13.020 1.596 90 HG2 GLU 12 2HG GLU 12 7.210 14.743 1.560 91 HG3 GLU 12 3HG GLU 12 7.407 14.538 -0.179 92 H THR 13 H THR 13 6.886 11.017 3.174 93 HA THR 13 HA THR 13 6.499 8.276 2.267 94 HB THR 13 HB THR 13 6.091 9.621 4.958 95 HG1 THR 13 HG1 THR 13 8.168 8.236 3.682 96 HG21 THR 13 3HG2 THR 13 4.705 7.699 5.024 97 HG22 THR 13 1HG2 THR 13 6.223 7.182 5.760 98 HG23 THR 13 2HG2 THR 13 5.857 6.741 4.092 99 H VAL 14 H VAL 14 4.541 11.018 2.433 100 HA VAL 14 HA VAL 14 2.242 11.385 2.243 101 HB VAL 14 HB VAL 14 2.334 8.609 1.030 102 HG11 VAL 14 1HG1 VAL 14 0.346 9.662 -0.281 103 HG12 VAL 14 2HG1 VAL 14 0.289 10.835 1.034 104 HG13 VAL 14 3HG1 VAL 14 0.047 9.122 1.369 105 HG21 VAL 14 3HG2 VAL 14 2.773 9.679 -1.057 106 HG22 VAL 14 1HG2 VAL 14 3.896 10.416 0.086 107 HG23 VAL 14 2HG2 VAL 14 2.434 11.277 -0.394 108 H VAL 15 H VAL 15 0.058 10.594 2.931 109 HA VAL 15 HA VAL 15 0.229 8.700 5.256 110 HB VAL 15 HB VAL 15 -1.660 10.172 6.206 111 HG11 VAL 15 1HG1 VAL 15 0.626 10.123 7.116 112 HG12 VAL 15 2HG1 VAL 15 -0.015 11.766 7.151 113 HG13 VAL 15 3HG1 VAL 15 1.141 11.295 5.905 114 HG21 VAL 15 3HG2 VAL 15 -0.445 12.195 4.302 115 HG22 VAL 15 1HG2 VAL 15 -1.785 12.449 5.418 116 HG23 VAL 15 2HG2 VAL 15 -1.994 11.406 4.012 117 HA PRO 16 HA PRO 16 -3.030 7.337 2.243 118 HB2 PRO 16 2HB PRO 16 -2.212 4.762 1.936 119 HB3 PRO 16 3HB PRO 16 -1.496 6.102 1.021 120 HG2 PRO 16 2HG PRO 16 -0.440 4.683 3.418 121 HG3 PRO 16 3HG PRO 16 0.420 5.271 1.983 122 HD2 PRO 16 2HD PRO 16 0.357 6.614 4.405 123 HD3 PRO 16 3HD PRO 16 0.657 7.405 2.845 124 H GLU 17 H GLU 17 -4.875 6.030 2.678 125 HA GLU 17 HA GLU 17 -5.272 5.446 5.527 126 HB2 GLU 17 2HB GLU 17 -7.051 6.497 4.141 127 HB3 GLU 17 3HB GLU 17 -7.141 5.025 3.175 128 HG2 GLU 17 2HG GLU 17 -7.762 3.732 5.171 129 HG3 GLU 17 3HG GLU 17 -7.632 5.184 6.165 130 H VAL 18 H VAL 18 -5.860 3.357 6.342 131 HA VAL 18 HA VAL 18 -4.910 1.063 4.649 132 HB VAL 18 HB VAL 18 -4.824 1.523 7.643 133 HG11 VAL 18 1HG1 VAL 18 -3.653 -0.768 7.593 134 HG12 VAL 18 2HG1 VAL 18 -4.384 -0.977 6.002 135 HG13 VAL 18 3HG1 VAL 18 -5.409 -0.772 7.422 136 HG21 VAL 18 3HG2 VAL 18 -2.368 1.111 7.214 137 HG22 VAL 18 1HG2 VAL 18 -2.997 2.577 6.462 138 HG23 VAL 18 2HG2 VAL 18 -2.727 1.131 5.488 139 H ARG 19 H ARG 19 -6.380 -0.489 4.230 140 HA ARG 19 HA ARG 19 -8.840 -0.676 5.930 141 HB2 ARG 19 2HB ARG 19 -8.667 -0.661 2.901 142 HB3 ARG 19 3HB ARG 19 -10.112 -1.113 3.809 143 HG2 ARG 19 2HG ARG 19 -10.147 1.102 4.881 144 HG3 ARG 19 3HG ARG 19 -8.690 1.558 3.999 145 HD2 ARG 19 2HD ARG 19 -11.263 0.708 2.647 146 HD3 ARG 19 3HD ARG 19 -10.831 2.390 2.954 147 HE ARG 19 HE ARG 19 -8.653 1.176 1.598 148 HH11 ARG 19 1HH2 ARG 19 -11.963 2.031 1.132 149 HH12 ARG 19 2HH2 ARG 19 -11.792 2.285 -0.574 150 HH21 ARG 19 1HH1 ARG 19 -8.416 1.505 -0.621 151 HH22 ARG 19 2HH1 ARG 19 -9.786 1.987 -1.565 152 H LEU 20 H LEU 20 -9.503 -2.779 6.314 153 HA LEU 20 HA LEU 20 -7.735 -4.950 5.231 154 HB2 LEU 20 2HB LEU 20 -9.484 -4.954 7.708 155 HB3 LEU 20 3HB LEU 20 -8.330 -6.201 7.234 156 HG LEU 20 HG LEU 20 -7.647 -3.323 7.904 157 HD11 LEU 20 1HD1 LEU 20 -7.401 -5.926 9.418 158 HD12 LEU 20 2HD1 LEU 20 -8.156 -4.420 9.942 159 HD13 LEU 20 3HD1 LEU 20 -6.401 -4.527 9.806 160 HD21 LEU 20 3HD2 LEU 20 -5.991 -3.974 6.366 161 HD22 LEU 20 1HD2 LEU 20 -6.028 -5.660 6.888 162 HD23 LEU 20 2HD2 LEU 20 -5.268 -4.433 7.903 163 H SER 21 H SER 21 -8.647 -6.457 3.949 164 HA SER 21 HA SER 21 -11.643 -6.683 3.902 165 HB2 SER 21 2HB SER 21 -10.971 -5.502 1.898 166 HB3 SER 21 3HB SER 21 -9.686 -6.666 1.587 167 HG SER 21 HG SER 21 -12.056 -6.789 0.637 168 H LYS 22 H LYS 22 -12.371 -8.742 4.088 169 HA LYS 22 HA LYS 22 -10.414 -10.980 3.694 170 HB2 LYS 22 2HB LYS 22 -11.104 -10.267 6.151 171 HB3 LYS 22 3HB LYS 22 -12.588 -11.143 5.777 172 HG2 LYS 22 2HG LYS 22 -11.318 -13.161 5.266 173 HG3 LYS 22 3HG LYS 22 -9.796 -12.298 5.486 174 HD2 LYS 22 2HD LYS 22 -10.354 -11.886 7.845 175 HD3 LYS 22 3HD LYS 22 -11.883 -12.739 7.638 176 HE2 LYS 22 2HE LYS 22 -10.420 -14.374 8.541 177 HE3 LYS 22 3HE LYS 22 -10.450 -14.728 6.814 178 HZ1 LYS 22 3HZ LYS 22 -8.288 -13.758 8.452 179 HZ2 LYS 22 1HZ LYS 22 -8.476 -12.907 6.997 180 HZ3 LYS 22 2HZ LYS 22 -8.243 -14.591 6.972 181 H SER 23 H SER 23 -11.170 -12.659 2.516 182 HA SER 23 HA SER 23 -13.511 -12.385 0.923 183 HB2 SER 23 2HB SER 23 -11.921 -14.870 1.608 184 HB3 SER 23 3HB SER 23 -13.068 -14.734 0.279 185 HG SER 23 HG SER 23 -10.924 -14.344 -0.403 186 H LYS 24 H LYS 24 -14.001 -15.455 1.642 187 HA LYS 24 HA LYS 24 -16.461 -14.960 3.083 188 HB2 LYS 24 2HB LYS 24 -15.015 -17.530 2.370 189 HB3 LYS 24 3HB LYS 24 -16.631 -17.465 3.079 190 HG2 LYS 24 2HG LYS 24 -17.419 -16.119 1.163 191 HG3 LYS 24 3HG LYS 24 -15.806 -16.183 0.454 192 HD2 LYS 24 2HD LYS 24 -15.965 -18.666 0.385 193 HD3 LYS 24 3HD LYS 24 -17.613 -18.556 1.004 194 HE2 LYS 24 2HE LYS 24 -16.663 -17.230 -1.551 195 HE3 LYS 24 3HE LYS 24 -17.514 -18.773 -1.491 196 HZ1 LYS 24 3HZ LYS 24 -18.534 -16.152 -0.538 197 HZ2 LYS 24 1HZ LYS 24 -19.341 -17.630 -0.337 198 HZ3 LYS 24 2HZ LYS 24 -19.073 -17.016 -1.897 199 H ASN 25 H ASN 25 -13.694 -14.422 4.347 200 HA ASN 25 HA ASN 25 -12.751 -14.560 6.475 201 HB2 ASN 25 2HB ASN 25 -15.516 -15.486 7.305 202 HB3 ASN 25 3HB ASN 25 -14.276 -14.797 8.352 203 HD21 ASN 25 1HD2 ASN 25 -17.102 -13.896 7.027 204 HD22 ASN 25 2HD2 ASN 25 -16.789 -12.262 6.687 205 H GLY 26 H GLY 26 -12.540 -16.848 4.736 206 HA2 GLY 26 2HA GLY 26 -11.538 -18.771 6.624 207 HA3 GLY 26 3HA GLY 26 -13.054 -19.342 5.922 208 H GLN 27 H GLN 27 -10.933 -17.272 4.080 209 HA GLN 27 HA GLN 27 -9.937 -19.615 2.502 210 HB2 GLN 27 2HB GLN 27 -11.217 -17.101 1.381 211 HB3 GLN 27 3HB GLN 27 -10.427 -18.349 0.419 212 HG2 GLN 27 2HG GLN 27 -12.798 -18.835 2.241 213 HG3 GLN 27 3HG GLN 27 -12.906 -18.616 0.494 214 HE21 GLN 27 1HE2 GLN 27 -13.002 -21.036 2.672 215 HE22 GLN 27 2HE2 GLN 27 -12.239 -22.276 1.799 216 H SER 28 H SER 28 -9.393 -16.703 0.938 217 HA SER 28 HA SER 28 -6.603 -16.590 2.011 218 HB2 SER 28 2HB SER 28 -7.848 -15.821 -0.629 219 HB3 SER 28 3HB SER 28 -6.236 -15.281 -0.166 220 HG SER 28 HG SER 28 -5.590 -17.179 -0.775 221 H GLY 29 H GLY 29 -6.175 -14.950 3.353 222 HA2 GLY 29 2HA GLY 29 -8.008 -12.698 3.650 223 HA3 GLY 29 3HA GLY 29 -6.528 -12.960 4.570 224 H MET 30 H MET 30 -7.455 -10.471 3.295 225 HA MET 30 HA MET 30 -4.949 -9.840 1.884 226 HB2 MET 30 2HB MET 30 -6.454 -8.668 0.048 227 HB3 MET 30 3HB MET 30 -6.050 -10.372 -0.102 228 HG2 MET 30 2HG MET 30 -8.198 -10.989 0.943 229 HG3 MET 30 3HG MET 30 -8.610 -9.281 1.099 230 HE1 MET 30 3HE MET 30 -9.518 -8.039 -2.272 231 HE2 MET 30 1HE MET 30 -8.070 -7.707 -1.314 232 HE3 MET 30 2HE MET 30 -9.629 -7.902 -0.520 233 H ALA 31 H ALA 31 -4.883 -7.423 1.404 234 HA ALA 31 HA ALA 31 -6.649 -5.830 3.211 235 HB1 ALA 31 3HB ALA 31 -4.611 -4.610 4.021 236 HB2 ALA 31 1HB ALA 31 -3.616 -5.821 3.212 237 HB3 ALA 31 2HB ALA 31 -4.669 -6.293 4.546 238 H LYS 32 H LYS 32 -6.976 -3.717 2.474 239 HA LYS 32 HA LYS 32 -5.859 -3.099 -0.244 240 HB2 LYS 32 2HB LYS 32 -8.440 -2.250 1.099 241 HB3 LYS 32 3HB LYS 32 -7.887 -1.673 -0.474 242 HG2 LYS 32 2HG LYS 32 -7.916 -3.935 -1.371 243 HG3 LYS 32 3HG LYS 32 -8.314 -4.591 0.214 244 HD2 LYS 32 2HD LYS 32 -10.360 -4.476 -1.070 245 HD3 LYS 32 3HD LYS 32 -10.428 -3.232 0.176 246 HE2 LYS 32 2HE LYS 32 -10.003 -1.496 -1.366 247 HE3 LYS 32 3HE LYS 32 -9.392 -2.611 -2.591 248 HZ1 LYS 32 3HZ LYS 32 -12.188 -2.632 -1.610 249 HZ2 LYS 32 1HZ LYS 32 -11.559 -3.447 -2.957 250 HZ3 LYS 32 2HZ LYS 32 -11.688 -1.753 -2.974 251 H PHE 33 H PHE 33 -4.945 -1.084 -0.585 252 HA PHE 33 HA PHE 33 -4.739 0.764 1.776 253 HB2 PHE 33 2HB PHE 33 -2.588 0.263 -0.299 254 HB3 PHE 33 3HB PHE 33 -2.444 1.208 1.184 255 HD1 PHE 33 HD2 PHE 33 -2.852 -2.211 -0.187 256 HD2 PHE 33 HD1 PHE 33 -2.088 0.155 3.315 257 HE1 PHE 33 HE2 PHE 33 -2.205 -4.258 1.050 258 HE2 PHE 33 HE1 PHE 33 -1.441 -1.893 4.554 259 HZ PHE 33 HZ PHE 33 -1.502 -4.101 3.420 260 H TYR 34 H TYR 34 -5.326 2.844 1.289 261 HA TYR 34 HA TYR 34 -5.847 3.501 -1.588 262 HB2 TYR 34 2HB TYR 34 -7.728 3.634 0.119 263 HB3 TYR 34 3HB TYR 34 -6.854 4.981 0.851 264 HD1 TYR 34 HD1 TYR 34 -8.574 3.805 -2.208 265 HD2 TYR 34 HD2 TYR 34 -6.731 7.136 -0.219 266 HE1 TYR 34 HE1 TYR 34 -9.491 5.337 -3.927 267 HE2 TYR 34 HE2 TYR 34 -7.649 8.671 -1.938 268 HH TYR 34 HH TYR 34 -10.090 7.826 -4.036 269 H PHE 35 H PHE 35 -4.519 4.931 -2.549 270 HA PHE 35 HA PHE 35 -2.735 6.625 -0.838 271 HB2 PHE 35 2HB PHE 35 -2.430 5.625 -3.681 272 HB3 PHE 35 3HB PHE 35 -1.310 6.735 -2.887 273 HD1 PHE 35 HD1 PHE 35 0.045 6.005 -0.965 274 HD2 PHE 35 HD2 PHE 35 -2.524 3.282 -3.069 275 HE1 PHE 35 HE1 PHE 35 1.195 4.092 0.108 276 HE2 PHE 35 HE2 PHE 35 -1.372 1.365 -1.997 277 HZ PHE 35 HZ PHE 35 0.490 1.770 -0.408 278 H LEU 36 H LEU 36 -3.435 8.691 -0.719 279 HA LEU 36 HA LEU 36 -5.030 9.793 -2.987 280 HB2 LEU 36 2HB LEU 36 -6.057 9.987 -0.770 281 HB3 LEU 36 3HB LEU 36 -4.627 10.814 -0.157 282 HG LEU 36 HG LEU 36 -5.002 12.675 -1.718 283 HD11 LEU 36 1HD1 LEU 36 -7.159 10.844 -2.749 284 HD12 LEU 36 2HD1 LEU 36 -5.988 11.806 -3.648 285 HD13 LEU 36 3HD1 LEU 36 -7.369 12.591 -2.889 286 HD21 LEU 36 3HD2 LEU 36 -6.195 12.513 0.541 287 HD22 LEU 36 1HD2 LEU 36 -7.635 12.053 -0.367 288 HD23 LEU 36 2HD2 LEU 36 -6.893 13.631 -0.631 289 H GLU 37 H GLU 37 -3.930 10.967 -4.429 290 HA GLU 37 HA GLU 37 -2.169 12.199 -5.383 291 HB2 GLU 37 2HB GLU 37 -2.812 13.711 -2.845 292 HB3 GLU 37 3HB GLU 37 -1.744 14.340 -4.099 293 HG2 GLU 37 2HG GLU 37 -3.533 14.173 -5.757 294 HG3 GLU 37 3HG GLU 37 -4.605 13.453 -4.559 295 HA PRO 38 HA PRO 38 1.033 10.400 -2.439 296 HB2 PRO 38 2HB PRO 38 1.981 8.452 -4.150 297 HB3 PRO 38 3HB PRO 38 0.682 8.173 -2.973 298 HG2 PRO 38 2HG PRO 38 0.495 8.684 -5.901 299 HG3 PRO 38 3HG PRO 38 -0.464 7.596 -4.887 300 HD2 PRO 38 2HD PRO 38 -1.373 10.046 -5.732 301 HD3 PRO 38 3HD PRO 38 -1.912 9.285 -4.220 302 H THR 39 H THR 39 0.758 12.347 -4.899 303 HA THR 39 HA THR 39 2.163 13.621 -6.260 304 HB THR 39 HB THR 39 4.212 14.370 -5.156 305 HG1 THR 39 HG1 THR 39 4.019 12.932 -2.907 306 HG21 THR 39 3HG2 THR 39 2.104 13.907 -3.040 307 HG22 THR 39 1HG2 THR 39 1.899 15.070 -4.349 308 HG23 THR 39 2HG2 THR 39 3.207 15.275 -3.183 309 H ILE 40 H ILE 40 2.119 10.734 -6.799 310 HA ILE 40 HA ILE 40 4.923 10.211 -7.675 311 HB ILE 40 HB ILE 40 3.522 8.455 -6.451 312 HG12 ILE 40 2HG1 ILE 40 4.240 6.626 -8.040 313 HG13 ILE 40 3HG1 ILE 40 4.648 7.877 -9.209 314 HG21 ILE 40 1HG2 ILE 40 1.468 9.090 -7.960 315 HG22 ILE 40 2HG2 ILE 40 1.718 7.403 -7.512 316 HG23 ILE 40 3HG2 ILE 40 2.193 7.970 -9.113 317 HD11 ILE 40 3HD1 ILE 40 5.821 8.178 -6.477 318 HD12 ILE 40 1HD1 ILE 40 6.522 8.538 -8.054 319 HD13 ILE 40 2HD1 ILE 40 6.450 6.874 -7.480 320 H LEU 41 H LEU 41 1.796 11.142 -8.865 321 HA LEU 41 HA LEU 41 2.110 10.329 -11.603 322 HB2 LEU 41 2HB LEU 41 0.580 12.728 -10.566 323 HB3 LEU 41 3HB LEU 41 0.293 11.856 -12.071 324 HG LEU 41 HG LEU 41 0.015 10.678 -9.289 325 HD11 LEU 41 1HD1 LEU 41 -2.013 11.664 -11.311 326 HD12 LEU 41 2HD1 LEU 41 -1.786 12.222 -9.653 327 HD13 LEU 41 3HD1 LEU 41 -2.434 10.611 -9.959 328 HD21 LEU 41 3HD2 LEU 41 0.552 8.865 -10.699 329 HD22 LEU 41 1HD2 LEU 41 -0.297 9.563 -12.079 330 HD23 LEU 41 2HD2 LEU 41 -1.209 8.875 -10.736 331 H ALA 42 H ALA 42 2.982 13.293 -9.859 332 HA ALA 42 HA ALA 42 3.871 14.772 -12.146 333 HB1 ALA 42 3HB ALA 42 4.877 14.968 -9.292 334 HB2 ALA 42 1HB ALA 42 3.415 15.752 -9.888 335 HB3 ALA 42 2HB ALA 42 4.989 16.216 -10.533 336 H LYS 43 H LYS 43 5.301 12.192 -10.315 337 HA LYS 43 HA LYS 43 7.989 12.694 -11.500 338 HB2 LYS 43 2HB LYS 43 6.990 10.761 -9.396 339 HB3 LYS 43 3HB LYS 43 8.641 10.750 -10.020 340 HG2 LYS 43 2HG LYS 43 8.910 13.110 -9.313 341 HG3 LYS 43 3HG LYS 43 7.272 13.091 -8.658 342 HD2 LYS 43 2HD LYS 43 7.881 11.327 -7.083 343 HD3 LYS 43 3HD LYS 43 9.500 11.232 -7.778 344 HE2 LYS 43 2HE LYS 43 9.598 12.580 -5.755 345 HE3 LYS 43 3HE LYS 43 9.857 13.626 -7.151 346 HZ1 LYS 43 3HZ LYS 43 8.303 14.768 -5.897 347 HZ2 LYS 43 1HZ LYS 43 7.457 13.365 -5.460 348 HZ3 LYS 43 2HZ LYS 43 7.337 13.968 -7.044 349 H GLU 44 H GLU 44 5.646 9.994 -11.198 350 HA GLU 44 HA GLU 44 6.544 9.035 -13.886 351 HB2 GLU 44 2HB GLU 44 6.279 7.388 -11.359 352 HB3 GLU 44 3HB GLU 44 6.415 6.692 -12.975 353 HG2 GLU 44 2HG GLU 44 8.563 7.838 -13.307 354 HG3 GLU 44 3HG GLU 44 8.429 8.572 -11.709 355 H SER 45 H SER 45 4.957 7.944 -15.070 356 HA SER 45 HA SER 45 2.231 8.716 -14.481 357 HB2 SER 45 2HB SER 45 1.711 7.851 -16.602 358 HB3 SER 45 3HB SER 45 3.393 8.347 -16.784 359 HG SER 45 HG SER 45 3.999 6.197 -16.393 360 H THR 46 H THR 46 0.430 7.115 -14.402 361 HA THR 46 HA THR 46 0.829 5.189 -12.308 362 HB THR 46 HB THR 46 -1.520 4.517 -12.842 363 HG1 THR 46 HG1 THR 46 -2.443 6.004 -14.519 364 HG21 THR 46 3HG2 THR 46 -1.125 7.521 -12.887 365 HG22 THR 46 1HG2 THR 46 -0.975 6.528 -11.436 366 HG23 THR 46 2HG2 THR 46 -2.525 6.645 -12.268 367 H ASP 47 H ASP 47 0.831 4.984 -15.815 368 HA ASP 47 HA ASP 47 0.639 2.112 -15.995 369 HB2 ASP 47 2HB ASP 47 1.721 4.224 -17.873 370 HB3 ASP 47 3HB ASP 47 1.632 2.514 -18.299 371 H ASP 48 H ASP 48 3.164 4.229 -15.039 372 HA ASP 48 HA ASP 48 5.342 2.374 -15.738 373 HB2 ASP 48 2HB ASP 48 5.639 4.865 -15.727 374 HB3 ASP 48 3HB ASP 48 5.384 4.845 -13.983 375 H ILE 49 H ILE 49 3.025 2.598 -13.314 376 HA ILE 49 HA ILE 49 4.772 1.333 -11.247 377 HB ILE 49 HB ILE 49 1.921 2.354 -11.056 378 HG12 ILE 49 2HG1 ILE 49 4.474 3.540 -9.932 379 HG13 ILE 49 3HG1 ILE 49 3.743 4.075 -11.445 380 HG21 ILE 49 1HG2 ILE 49 2.198 0.686 -9.384 381 HG22 ILE 49 2HG2 ILE 49 2.527 2.205 -8.552 382 HG23 ILE 49 3HG2 ILE 49 3.862 1.172 -9.061 383 HD11 ILE 49 3HD1 ILE 49 2.515 4.189 -8.679 384 HD12 ILE 49 1HD1 ILE 49 1.608 4.502 -10.158 385 HD13 ILE 49 2HD1 ILE 49 2.953 5.550 -9.710 386 H THR 50 H THR 50 4.836 -0.826 -11.326 387 HA THR 50 HA THR 50 2.341 -2.338 -12.032 388 HB THR 50 HB THR 50 3.765 -4.028 -13.110 389 HG1 THR 50 HG1 THR 50 5.683 -2.617 -11.831 390 HG21 THR 50 3HG2 THR 50 2.902 -2.092 -14.429 391 HG22 THR 50 1HG2 THR 50 4.419 -2.726 -15.068 392 HG23 THR 50 2HG2 THR 50 4.416 -1.243 -14.114 393 H GLY 51 H GLY 51 3.948 -1.439 -9.492 394 HA2 GLY 51 2HA GLY 51 3.234 -3.682 -7.885 395 HA3 GLY 51 3HA GLY 51 4.968 -3.740 -8.193 396 H MET 52 H MET 52 3.869 -3.375 -5.617 397 HA MET 52 HA MET 52 4.602 -0.526 -5.002 398 HB2 MET 52 2HB MET 52 2.237 -1.101 -4.479 399 HB3 MET 52 3HB MET 52 2.804 -2.403 -3.434 400 HG2 MET 52 2HG MET 52 3.973 -0.795 -2.006 401 HG3 MET 52 3HG MET 52 3.511 0.524 -3.081 402 HE1 MET 52 3HE MET 52 1.010 -1.944 -0.220 403 HE2 MET 52 1HE MET 52 2.540 -2.339 -1.015 404 HE3 MET 52 2HE MET 52 1.016 -2.571 -1.865 405 H TYR 53 H TYR 53 6.348 -0.268 -3.701 406 HA TYR 53 HA TYR 53 7.598 -2.720 -2.529 407 HB2 TYR 53 2HB TYR 53 8.729 0.007 -3.212 408 HB3 TYR 53 3HB TYR 53 9.646 -1.283 -2.431 409 HD1 TYR 53 HD1 TYR 53 7.935 -0.245 -5.539 410 HD2 TYR 53 HD2 TYR 53 10.338 -3.257 -3.650 411 HE1 TYR 53 HE1 TYR 53 8.391 -1.264 -7.752 412 HE2 TYR 53 HE2 TYR 53 10.796 -4.279 -5.861 413 HH TYR 53 HH TYR 53 9.074 -3.826 -8.487 414 H LEU 54 H LEU 54 7.072 -2.982 -0.439 415 HA LEU 54 HA LEU 54 6.561 -0.617 1.292 416 HB2 LEU 54 2HB LEU 54 6.259 -3.587 1.851 417 HB3 LEU 54 3HB LEU 54 5.703 -2.275 2.892 418 HG LEU 54 HG LEU 54 4.768 -2.693 0.035 419 HD11 LEU 54 1HD1 LEU 54 3.933 -4.548 1.284 420 HD12 LEU 54 2HD1 LEU 54 2.611 -3.382 1.219 421 HD13 LEU 54 3HD1 LEU 54 3.579 -3.538 2.685 422 HD21 LEU 54 3HD2 LEU 54 4.408 -0.418 0.581 423 HD22 LEU 54 1HD2 LEU 54 4.026 -0.788 2.262 424 HD23 LEU 54 2HD2 LEU 54 2.874 -1.174 0.987 425 H ILE 55 H ILE 55 8.125 0.090 2.648 426 HA ILE 55 HA ILE 55 10.475 -1.713 3.167 427 HB ILE 55 HB ILE 55 10.352 1.313 3.041 428 HG12 ILE 55 2HG1 ILE 55 10.090 0.298 0.832 429 HG13 ILE 55 3HG1 ILE 55 11.691 1.014 0.966 430 HG21 ILE 55 1HG2 ILE 55 12.083 0.762 4.552 431 HG22 ILE 55 2HG2 ILE 55 12.906 0.967 3.006 432 HG23 ILE 55 3HG2 ILE 55 12.567 -0.653 3.617 433 HD11 ILE 55 3HD1 ILE 55 12.349 -1.440 1.749 434 HD12 ILE 55 1HD1 ILE 55 12.216 -1.042 0.038 435 HD13 ILE 55 2HD1 ILE 55 10.889 -1.858 0.855 436 H ASP 56 H ASP 56 10.825 -2.228 5.239 437 HA ASP 56 HA ASP 56 10.070 -0.398 7.406 438 HB2 ASP 56 2HB ASP 56 7.988 -1.714 6.838 439 HB3 ASP 56 3HB ASP 56 8.863 -3.166 7.327 440 H ASP 57 H ASP 57 11.797 -0.446 8.699 441 HA ASP 57 HA ASP 57 13.832 -1.198 9.619 442 HB2 ASP 57 2HB ASP 57 11.826 -3.339 10.357 443 HB3 ASP 57 3HB ASP 57 13.456 -3.275 11.032 444 H GLU 58 H GLU 58 14.343 -1.580 7.140 445 HA GLU 58 HA GLU 58 15.686 -2.818 5.671 446 HB2 GLU 58 2HB GLU 58 16.825 -3.531 7.859 447 HB3 GLU 58 3HB GLU 58 15.825 -4.979 7.792 448 HG2 GLU 58 2HG GLU 58 16.734 -5.560 5.605 449 HG3 GLU 58 3HG GLU 58 17.705 -4.086 5.598 450 H GLY 59 H GLY 59 13.264 -4.704 7.460 451 HA2 GLY 59 2HA GLY 59 12.901 -6.708 5.440 452 HA3 GLY 59 3HA GLY 59 11.748 -6.325 6.718 453 H GLU 60 H GLU 60 11.558 -6.728 3.651 454 HA GLU 60 HA GLU 60 9.650 -4.492 3.261 455 HB2 GLU 60 2HB GLU 60 10.581 -4.154 0.926 456 HB3 GLU 60 3HB GLU 60 11.594 -3.565 2.244 457 HG2 GLU 60 2HG GLU 60 12.948 -5.602 2.140 458 HG3 GLU 60 3HG GLU 60 11.926 -6.226 0.846 459 H ILE 61 H ILE 61 8.005 -4.978 1.786 460 HA ILE 61 HA ILE 61 7.932 -7.805 0.771 461 HB ILE 61 HB ILE 61 5.691 -6.128 1.938 462 HG12 ILE 61 2HG1 ILE 61 6.809 -8.805 2.813 463 HG13 ILE 61 3HG1 ILE 61 7.341 -7.269 3.495 464 HG21 ILE 61 1HG2 ILE 61 4.749 -7.359 0.119 465 HG22 ILE 61 2HG2 ILE 61 4.390 -8.299 1.568 466 HG23 ILE 61 3HG2 ILE 61 5.705 -8.790 0.501 467 HD11 ILE 61 3HD1 ILE 61 5.528 -8.432 4.817 468 HD12 ILE 61 1HD1 ILE 61 4.447 -8.158 3.451 469 HD13 ILE 61 2HD1 ILE 61 5.131 -6.786 4.322 470 H ILE 62 H ILE 62 7.560 -7.972 -1.373 471 HA ILE 62 HA ILE 62 6.833 -5.486 -2.881 472 HB ILE 62 HB ILE 62 8.190 -8.033 -3.818 473 HG12 ILE 62 2HG1 ILE 62 10.160 -6.426 -4.040 474 HG13 ILE 62 3HG1 ILE 62 9.223 -5.272 -3.099 475 HG21 ILE 62 1HG2 ILE 62 8.702 -6.536 -5.817 476 HG22 ILE 62 2HG2 ILE 62 7.492 -5.423 -5.179 477 HG23 ILE 62 3HG2 ILE 62 7.023 -7.053 -5.662 478 HD11 ILE 62 3HD1 ILE 62 9.430 -7.979 -1.882 479 HD12 ILE 62 1HD1 ILE 62 9.581 -6.386 -1.141 480 HD13 ILE 62 2HD1 ILE 62 10.943 -7.088 -2.004 481 H THR 63 H THR 63 4.908 -5.435 -3.911 482 HA THR 63 HA THR 63 3.492 -8.028 -4.448 483 HB THR 63 HB THR 63 2.408 -7.036 -2.525 484 HG1 THR 63 HG1 THR 63 1.094 -7.837 -4.255 485 HG21 THR 63 3HG2 THR 63 3.335 -4.702 -3.003 486 HG22 THR 63 1HG2 THR 63 1.672 -4.769 -2.423 487 HG23 THR 63 2HG2 THR 63 1.997 -4.511 -4.136 488 H ARG 64 H ARG 64 2.902 -8.231 -6.517 489 HA ARG 64 HA ARG 64 3.229 -5.930 -8.341 490 HB2 ARG 64 2HB ARG 64 4.060 -8.383 -8.711 491 HB3 ARG 64 3HB ARG 64 2.387 -8.709 -9.154 492 HG2 ARG 64 2HG ARG 64 3.265 -8.150 -11.237 493 HG3 ARG 64 3HG ARG 64 2.709 -6.565 -10.702 494 HD2 ARG 64 2HD ARG 64 5.006 -6.102 -9.825 495 HD3 ARG 64 3HD ARG 64 5.537 -7.650 -10.477 496 HE ARG 64 HE ARG 64 4.892 -5.234 -12.038 497 HH11 ARG 64 1HH2 ARG 64 5.481 -8.637 -11.946 498 HH12 ARG 64 2HH2 ARG 64 5.905 -8.735 -13.622 499 HH21 ARG 64 1HH1 ARG 64 5.438 -5.351 -14.213 500 HH22 ARG 64 2HH1 ARG 64 5.880 -6.875 -14.906 501 H GLU 65 H GLU 65 0.834 -6.920 -6.393 502 HA GLU 65 HA GLU 65 -1.383 -6.715 -8.346 503 HB2 GLU 65 2HB GLU 65 -1.329 -7.183 -5.348 504 HB3 GLU 65 3HB GLU 65 -2.807 -7.098 -6.305 505 HG2 GLU 65 2HG GLU 65 -0.545 -9.060 -6.798 506 HG3 GLU 65 3HG GLU 65 -2.038 -9.444 -5.941 507 H VAL 66 H VAL 66 -0.792 -4.463 -8.908 508 HA VAL 66 HA VAL 66 -1.792 -2.498 -6.869 509 HB VAL 66 HB VAL 66 -0.321 -0.856 -8.280 510 HG11 VAL 66 1HG1 VAL 66 0.252 -1.264 -6.009 511 HG12 VAL 66 2HG1 VAL 66 1.723 -1.595 -6.925 512 HG13 VAL 66 3HG1 VAL 66 0.725 -2.932 -6.346 513 HG21 VAL 66 3HG2 VAL 66 0.115 -2.634 -10.035 514 HG22 VAL 66 1HG2 VAL 66 1.111 -3.468 -8.842 515 HG23 VAL 66 2HG2 VAL 66 1.562 -1.856 -9.395 516 H LYS 67 H LYS 67 -3.465 -1.257 -7.477 517 HA LYS 67 HA LYS 67 -4.250 -1.217 -10.376 518 HB2 LYS 67 2HB LYS 67 -6.053 -1.283 -7.936 519 HB3 LYS 67 3HB LYS 67 -6.598 -1.167 -9.609 520 HG2 LYS 67 2HG LYS 67 -4.954 -3.455 -8.492 521 HG3 LYS 67 3HG LYS 67 -6.702 -3.497 -8.713 522 HD2 LYS 67 2HD LYS 67 -6.176 -2.863 -11.188 523 HD3 LYS 67 3HD LYS 67 -4.538 -3.397 -10.815 524 HE2 LYS 67 2HE LYS 67 -5.570 -5.333 -11.657 525 HE3 LYS 67 3HE LYS 67 -5.641 -5.546 -9.907 526 HZ1 LYS 67 3HZ LYS 67 -7.755 -5.582 -11.655 527 HZ2 LYS 67 1HZ LYS 67 -7.880 -4.083 -10.872 528 HZ3 LYS 67 2HZ LYS 67 -7.841 -5.514 -9.958 529 H GLY 68 H GLY 68 -4.686 0.743 -11.203 530 HA2 GLY 68 2HA GLY 68 -4.246 3.091 -9.424 531 HA3 GLY 68 3HA GLY 68 -4.097 3.092 -11.176 532 H LYS 69 H LYS 69 -5.932 4.363 -8.857 533 HA LYS 69 HA LYS 69 -8.554 3.965 -10.213 534 HB2 LYS 69 2HB LYS 69 -7.725 5.253 -7.606 535 HB3 LYS 69 3HB LYS 69 -9.352 5.428 -8.266 536 HG2 LYS 69 2HG LYS 69 -9.605 2.977 -8.310 537 HG3 LYS 69 3HG LYS 69 -7.976 2.796 -7.659 538 HD2 LYS 69 2HD LYS 69 -8.617 3.953 -5.613 539 HD3 LYS 69 3HD LYS 69 -10.223 4.277 -6.265 540 HE2 LYS 69 2HE LYS 69 -10.667 1.858 -6.399 541 HE3 LYS 69 3HE LYS 69 -9.061 1.522 -5.761 542 HZ1 LYS 69 3HZ LYS 69 -10.065 3.256 -3.957 543 HZ2 LYS 69 1HZ LYS 69 -10.070 1.571 -3.786 544 HZ3 LYS 69 2HZ LYS 69 -11.445 2.365 -4.388 545 H PHE 70 H PHE 70 -9.262 5.434 -11.653 546 HA PHE 70 HA PHE 70 -7.779 8.005 -11.919 547 HB2 PHE 70 2HB PHE 70 -9.636 6.553 -13.823 548 HB3 PHE 70 3HB PHE 70 -8.826 8.082 -14.171 549 HD1 PHE 70 HD2 PHE 70 -6.383 8.184 -14.455 550 HD2 PHE 70 HD1 PHE 70 -8.404 4.463 -13.745 551 HE1 PHE 70 HE2 PHE 70 -4.351 6.949 -15.157 552 HE2 PHE 70 HE1 PHE 70 -6.374 3.225 -14.452 553 HZ PHE 70 HZ PHE 70 -4.347 4.469 -15.156 554 H ILE 71 H ILE 71 -8.797 9.943 -11.683 555 HA ILE 71 HA ILE 71 -11.712 9.898 -10.963 556 HB ILE 71 HB ILE 71 -9.566 11.845 -10.086 557 HG12 ILE 71 2HG1 ILE 71 -9.233 9.630 -9.081 558 HG13 ILE 71 3HG1 ILE 71 -9.831 10.759 -7.868 559 HG21 ILE 71 1HG2 ILE 71 -11.682 12.955 -10.120 560 HG22 ILE 71 2HG2 ILE 71 -11.397 12.492 -8.441 561 HG23 ILE 71 3HG2 ILE 71 -12.503 11.550 -9.440 562 HD11 ILE 71 3HD1 ILE 71 -12.196 9.803 -8.608 563 HD12 ILE 71 1HD1 ILE 71 -11.185 8.915 -7.473 564 HD13 ILE 71 2HD1 ILE 71 -11.225 8.445 -9.171 565 H ASN 72 H ASN 72 -13.022 11.112 -12.183 566 HA ASN 72 HA ASN 72 -13.744 12.489 -13.918 567 HB2 ASN 72 2HB ASN 72 -11.303 14.044 -13.010 568 HB3 ASN 72 3HB ASN 72 -12.459 14.646 -14.193 569 HD21 ASN 72 1HD2 ASN 72 -14.760 13.276 -12.719 570 HD22 ASN 72 2HD2 ASN 72 -15.035 14.251 -11.360 571 H GLY 73 H GLY 73 -11.999 10.238 -14.519 572 HA2 GLY 73 2HA GLY 73 -11.205 9.361 -16.560 573 HA3 GLY 73 3HA GLY 73 -11.387 10.961 -17.276 574 H ARG 74 H ARG 74 -9.723 11.801 -14.695 575 HA ARG 74 HA ARG 74 -7.073 11.287 -16.000 576 HB2 ARG 74 2HB ARG 74 -6.346 13.391 -14.857 577 HB3 ARG 74 3HB ARG 74 -7.654 13.647 -16.008 578 HG2 ARG 74 2HG ARG 74 -9.289 13.708 -14.215 579 HG3 ARG 74 3HG ARG 74 -8.057 13.276 -13.023 580 HD2 ARG 74 2HD ARG 74 -7.859 15.756 -14.751 581 HD3 ARG 74 3HD ARG 74 -8.627 15.760 -13.163 582 HE ARG 74 HE ARG 74 -6.204 14.648 -12.592 583 HH11 ARG 74 1HH2 ARG 74 -7.170 17.404 -14.437 584 HH12 ARG 74 2HH2 ARG 74 -5.724 18.296 -14.100 585 HH21 ARG 74 1HH1 ARG 74 -4.318 15.805 -12.146 586 HH22 ARG 74 2HH1 ARG 74 -4.112 17.392 -12.807 587 HA PRO 75 HA PRO 75 -5.815 9.058 -12.374 588 HB2 PRO 75 2HB PRO 75 -3.122 9.712 -12.286 589 HB3 PRO 75 3HB PRO 75 -3.822 8.496 -13.372 590 HG2 PRO 75 2HG PRO 75 -3.076 11.327 -13.937 591 HG3 PRO 75 3HG PRO 75 -2.892 9.886 -14.953 592 HD2 PRO 75 2HD PRO 75 -4.880 11.684 -15.359 593 HD3 PRO 75 3HD PRO 75 -5.099 9.952 -15.687 594 H THR 76 H THR 76 -5.654 9.398 -10.181 595 HA THR 76 HA THR 76 -4.646 11.927 -9.106 596 HB THR 76 HB THR 76 -7.579 11.227 -9.056 597 HG1 THR 76 HG1 THR 76 -6.341 13.710 -9.525 598 HG21 THR 76 3HG2 THR 76 -7.194 11.728 -6.786 599 HG22 THR 76 1HG2 THR 76 -7.711 13.264 -7.481 600 HG23 THR 76 2HG2 THR 76 -5.998 12.967 -7.174 601 H ALA 77 H ALA 77 -6.070 8.716 -8.640 602 HA ALA 77 HA ALA 77 -4.620 8.565 -6.029 603 HB1 ALA 77 3HB ALA 77 -6.968 9.143 -5.515 604 HB2 ALA 77 1HB ALA 77 -6.571 7.518 -4.964 605 HB3 ALA 77 2HB ALA 77 -7.510 7.744 -6.439 606 H ILE 78 H ILE 78 -4.109 6.418 -5.388 607 HA ILE 78 HA ILE 78 -4.490 4.319 -7.487 608 HB ILE 78 HB ILE 78 -1.947 5.011 -5.993 609 HG12 ILE 78 2HG1 ILE 78 -2.533 4.871 -8.965 610 HG13 ILE 78 3HG1 ILE 78 -2.571 6.365 -8.028 611 HG21 ILE 78 1HG2 ILE 78 -1.020 3.092 -7.411 612 HG22 ILE 78 2HG2 ILE 78 -2.692 2.629 -7.708 613 HG23 ILE 78 3HG2 ILE 78 -2.053 2.619 -6.065 614 HD11 ILE 78 3HD1 ILE 78 -0.233 6.116 -7.432 615 HD12 ILE 78 1HD1 ILE 78 -0.381 5.980 -9.185 616 HD13 ILE 78 2HD1 ILE 78 -0.166 4.529 -8.201 617 H GLU 79 H GLU 79 -4.498 2.171 -6.691 618 HA GLU 79 HA GLU 79 -4.752 1.875 -3.720 619 HB2 GLU 79 2HB GLU 79 -6.999 2.004 -4.812 620 HB3 GLU 79 3HB GLU 79 -6.566 0.598 -5.788 621 HG2 GLU 79 2HG GLU 79 -6.229 -0.731 -3.745 622 HG3 GLU 79 3HG GLU 79 -6.635 0.672 -2.756 623 H ALA 80 H ALA 80 -4.193 -0.237 -2.962 624 HA ALA 80 HA ALA 80 -2.990 -2.094 -4.964 625 HB1 ALA 80 3HB ALA 80 -0.940 -2.274 -3.742 626 HB2 ALA 80 1HB ALA 80 -1.583 -1.327 -2.400 627 HB3 ALA 80 2HB ALA 80 -1.234 -0.546 -3.942 628 H THR 81 H THR 81 -2.947 -4.268 -4.266 629 HA THR 81 HA THR 81 -4.446 -4.838 -1.726 630 HB THR 81 HB THR 81 -4.624 -6.377 -4.332 631 HG1 THR 81 HG1 THR 81 -6.212 -5.101 -4.803 632 HG21 THR 81 3HG2 THR 81 -6.588 -7.406 -3.107 633 HG22 THR 81 1HG2 THR 81 -6.002 -6.603 -1.650 634 HG23 THR 81 2HG2 THR 81 -5.004 -7.818 -2.449 635 H VAL 82 H VAL 82 -3.378 -6.190 -0.381 636 HA VAL 82 HA VAL 82 -0.997 -7.669 -1.459 637 HB VAL 82 HB VAL 82 -1.591 -6.512 1.274 638 HG11 VAL 82 1HG1 VAL 82 0.538 -8.449 0.357 639 HG12 VAL 82 2HG1 VAL 82 -0.529 -8.575 1.752 640 HG13 VAL 82 3HG1 VAL 82 0.782 -7.399 1.752 641 HG21 VAL 82 3HG2 VAL 82 -0.707 -5.059 -0.631 642 HG22 VAL 82 1HG2 VAL 82 0.755 -6.044 -0.580 643 HG23 VAL 82 2HG2 VAL 82 0.283 -5.091 0.827 644 H ILE 83 H ILE 83 -1.045 -9.840 -1.326 645 HA ILE 83 HA ILE 83 -3.349 -11.132 0.060 646 HB ILE 83 HB ILE 83 -1.367 -12.394 -1.841 647 HG12 ILE 83 2HG1 ILE 83 -2.334 -10.502 -3.010 648 HG13 ILE 83 3HG1 ILE 83 -3.129 -11.964 -3.590 649 HG21 ILE 83 1HG2 ILE 83 -2.707 -13.973 -0.569 650 HG22 ILE 83 2HG2 ILE 83 -3.294 -13.936 -2.231 651 HG23 ILE 83 3HG2 ILE 83 -4.182 -13.091 -0.964 652 HD11 ILE 83 3HD1 ILE 83 -4.206 -9.883 -1.686 653 HD12 ILE 83 1HD1 ILE 83 -4.915 -11.493 -1.786 654 HD13 ILE 83 2HD1 ILE 83 -4.907 -10.446 -3.201 655 H LEU 84 H LEU 84 -2.988 -12.018 1.993 656 HA LEU 84 HA LEU 84 -0.212 -12.634 2.853 657 HB2 LEU 84 2HB LEU 84 -2.770 -12.615 4.472 658 HB3 LEU 84 3HB LEU 84 -1.124 -12.645 5.101 659 HG LEU 84 HG LEU 84 -2.301 -10.396 3.439 660 HD11 LEU 84 1HD1 LEU 84 -1.954 -10.775 6.417 661 HD12 LEU 84 2HD1 LEU 84 -3.400 -10.286 5.534 662 HD13 LEU 84 3HD1 LEU 84 -2.047 -9.167 5.696 663 HD21 LEU 84 3HD2 LEU 84 0.047 -10.358 3.115 664 HD22 LEU 84 1HD2 LEU 84 0.370 -10.856 4.772 665 HD23 LEU 84 2HD2 LEU 84 -0.210 -9.226 4.440 666 H ASN 85 H ASN 85 -3.272 -14.129 3.712 667 HA ASN 85 HA ASN 85 -3.911 -16.367 3.873 668 HB2 ASN 85 2HB ASN 85 -2.046 -16.769 1.519 669 HB3 ASN 85 3HB ASN 85 -3.423 -17.770 1.976 670 HD21 ASN 85 1HD2 ASN 85 -4.709 -14.923 2.695 671 HD22 ASN 85 2HD2 ASN 85 -5.327 -14.437 1.191 672 H SER 86 H SER 86 -1.563 -15.466 5.400 673 HA SER 86 HA SER 86 -0.516 -18.141 6.045 674 HB2 SER 86 2HB SER 86 1.162 -15.948 4.871 675 HB3 SER 86 3HB SER 86 1.882 -17.038 6.049 676 HG SER 86 HG SER 86 0.413 -17.957 3.810 677 H GLN 87 H GLN 87 0.018 -18.284 8.192 678 HA GLN 87 HA GLN 87 -0.926 -16.303 10.018 679 HB2 GLN 87 2HB GLN 87 0.564 -18.881 10.184 680 HB3 GLN 87 3HB GLN 87 0.713 -17.819 11.582 681 HG2 GLN 87 2HG GLN 87 -1.960 -18.546 10.366 682 HG3 GLN 87 3HG GLN 87 -1.213 -19.481 11.661 683 HE21 GLN 87 1HE2 GLN 87 -3.573 -18.361 12.399 684 HE22 GLN 87 2HE2 GLN 87 -3.341 -16.985 13.364 685 HA PRO 88 HA PRO 88 3.783 -15.340 10.955 686 HB2 PRO 88 2HB PRO 88 5.415 -15.824 8.709 687 HB3 PRO 88 3HB PRO 88 5.322 -16.855 10.148 688 HG2 PRO 88 2HG PRO 88 3.917 -17.139 7.526 689 HG3 PRO 88 3HG PRO 88 4.657 -18.386 8.549 690 HD2 PRO 88 2HD PRO 88 2.023 -18.085 8.526 691 HD3 PRO 88 3HD PRO 88 2.854 -18.399 10.060 692 H GLU 89 H GLU 89 2.527 -15.074 7.653 693 HA GLU 89 HA GLU 89 3.708 -12.503 7.111 694 HB2 GLU 89 2HB GLU 89 1.280 -13.874 5.924 695 HB3 GLU 89 3HB GLU 89 2.020 -12.411 5.272 696 HG2 GLU 89 2HG GLU 89 4.189 -13.676 5.080 697 HG3 GLU 89 3HG GLU 89 3.315 -15.135 5.547 698 H TRP 90 H TRP 90 0.597 -13.537 8.469 699 HA TRP 90 HA TRP 90 -0.630 -10.953 8.549 700 HB2 TRP 90 2HB TRP 90 -1.049 -13.600 9.858 701 HB3 TRP 90 3HB TRP 90 -1.722 -12.226 10.729 702 HD1 TRP 90 HD1 TRP 90 -2.551 -14.586 8.060 703 HE1 TRP 90 HE1 TRP 90 -4.580 -13.756 6.700 704 HE3 TRP 90 HE3 TRP 90 -2.775 -9.757 9.685 705 HZ2 TRP 90 HZ2 TRP 90 -6.097 -11.352 6.352 706 HZ3 TRP 90 HZ3 TRP 90 -4.515 -8.216 8.829 707 HH2 TRP 90 HH2 TRP 90 -6.176 -9.006 7.165 708 H ASP 91 H ASP 91 1.329 -12.697 10.960 709 HA ASP 91 HA ASP 91 1.236 -10.667 12.965 710 HB2 ASP 91 2HB ASP 91 3.265 -12.814 12.317 711 HB3 ASP 91 3HB ASP 91 3.418 -11.758 13.720 712 H ARG 92 H ARG 92 3.493 -11.254 10.285 713 HA ARG 92 HA ARG 92 5.300 -9.112 10.892 714 HB2 ARG 92 2HB ARG 92 5.785 -10.988 9.315 715 HB3 ARG 92 3HB ARG 92 4.610 -10.312 8.191 716 HG2 ARG 92 2HG ARG 92 5.924 -8.222 8.069 717 HG3 ARG 92 3HG ARG 92 7.107 -8.907 9.183 718 HD2 ARG 92 2HD ARG 92 7.473 -10.778 7.545 719 HD3 ARG 92 3HD ARG 92 6.416 -9.932 6.413 720 HE ARG 92 HE ARG 92 8.589 -8.257 7.398 721 HH11 ARG 92 1HH2 ARG 92 7.590 -10.647 5.116 722 HH12 ARG 92 2HH2 ARG 92 8.794 -10.217 3.946 723 HH21 ARG 92 1HH1 ARG 92 10.159 -7.689 5.883 724 HH22 ARG 92 2HH1 ARG 92 10.249 -8.545 4.380 725 H PHE 93 H PHE 93 2.444 -9.309 8.789 726 HA PHE 93 HA PHE 93 2.579 -6.646 7.775 727 HB2 PHE 93 2HB PHE 93 1.165 -8.361 6.752 728 HB3 PHE 93 3HB PHE 93 0.180 -8.444 8.215 729 HD1 PHE 93 HD1 PHE 93 1.519 -5.817 5.876 730 HD2 PHE 93 HD2 PHE 93 -1.817 -7.231 8.189 731 HE1 PHE 93 HE1 PHE 93 0.146 -3.928 5.054 732 HE2 PHE 93 HE2 PHE 93 -3.190 -5.345 7.359 733 HZ PHE 93 HZ PHE 93 -2.213 -3.695 5.794 734 H MET 94 H MET 94 0.875 -7.992 10.595 735 HA MET 94 HA MET 94 -0.484 -5.637 11.391 736 HB2 MET 94 2HB MET 94 -0.847 -7.890 12.387 737 HB3 MET 94 3HB MET 94 0.729 -7.776 13.169 738 HG2 MET 94 2HG MET 94 -0.001 -5.803 14.421 739 HG3 MET 94 3HG MET 94 -1.564 -5.839 13.604 740 HE1 MET 94 3HE MET 94 -2.993 -8.048 13.501 741 HE2 MET 94 1HE MET 94 -3.558 -6.832 14.655 742 HE3 MET 94 2HE MET 94 -3.568 -8.539 15.093 743 H ARG 95 H ARG 95 2.784 -6.782 12.205 744 HA ARG 95 HA ARG 95 3.436 -4.595 13.945 745 HB2 ARG 95 2HB ARG 95 5.140 -6.489 12.308 746 HB3 ARG 95 3HB ARG 95 5.817 -5.309 13.431 747 HG2 ARG 95 2HG ARG 95 4.595 -6.311 15.289 748 HG3 ARG 95 3HG ARG 95 3.787 -7.429 14.190 749 HD2 ARG 95 2HD ARG 95 5.661 -8.562 15.294 750 HD3 ARG 95 3HD ARG 95 5.994 -8.385 13.572 751 HE ARG 95 HE ARG 95 7.705 -6.812 14.088 752 HH11 ARG 95 1HH2 ARG 95 5.812 -7.700 16.840 753 HH12 ARG 95 2HH2 ARG 95 6.884 -6.954 17.975 754 HH21 ARG 95 1HH1 ARG 95 9.101 -5.835 15.558 755 HH22 ARG 95 2HH1 ARG 95 8.744 -5.898 17.251 756 H PHE 96 H PHE 96 3.796 -5.100 10.462 757 HA PHE 96 HA PHE 96 5.375 -2.788 9.893 758 HB2 PHE 96 2HB PHE 96 3.505 -4.534 8.309 759 HB3 PHE 96 3HB PHE 96 4.087 -3.041 7.579 760 HD1 PHE 96 HD2 PHE 96 5.939 -5.292 9.933 761 HD2 PHE 96 HD1 PHE 96 5.557 -3.829 5.911 762 HE1 PHE 96 HE2 PHE 96 8.067 -6.391 9.332 763 HE2 PHE 96 HE1 PHE 96 7.692 -4.935 5.311 764 HZ PHE 96 HZ PHE 96 8.948 -6.215 7.023 765 H MET 97 H MET 97 1.849 -3.252 9.847 766 HA MET 97 HA MET 97 1.161 -0.617 8.998 767 HB2 MET 97 2HB MET 97 -0.449 -2.499 9.051 768 HB3 MET 97 3HB MET 97 -0.353 -2.521 10.811 769 HG2 MET 97 2HG MET 97 -1.086 0.053 9.446 770 HG3 MET 97 3HG MET 97 -2.308 -1.207 9.608 771 HE1 MET 97 3HE MET 97 -2.720 1.548 10.746 772 HE2 MET 97 1HE MET 97 -1.021 1.873 11.103 773 HE3 MET 97 2HE MET 97 -2.216 1.892 12.398 774 H GLU 98 H GLU 98 1.658 -2.083 12.082 775 HA GLU 98 HA GLU 98 0.790 0.096 13.691 776 HB2 GLU 98 2HB GLU 98 1.209 -2.389 14.186 777 HB3 GLU 98 3HB GLU 98 2.889 -1.962 14.339 778 HG2 GLU 98 2HG GLU 98 1.433 -0.211 16.118 779 HG3 GLU 98 3HG GLU 98 0.781 -1.820 16.344 780 H ARG 99 H ARG 99 4.067 -0.848 12.553 781 HA ARG 99 HA ARG 99 5.451 1.306 13.847 782 HB2 ARG 99 2HB ARG 99 6.049 -0.351 11.390 783 HB3 ARG 99 3HB ARG 99 7.179 0.847 12.019 784 HG2 ARG 99 2HG ARG 99 7.257 -0.329 14.173 785 HG3 ARG 99 3HG ARG 99 6.066 -1.497 13.597 786 HD2 ARG 99 2HD ARG 99 7.614 -2.227 11.833 787 HD3 ARG 99 3HD ARG 99 8.803 -1.040 12.368 788 HE ARG 99 HE ARG 99 8.171 -2.614 14.618 789 HH11 ARG 99 1HH2 ARG 99 9.510 -2.966 11.457 790 HH12 ARG 99 2HH2 ARG 99 10.511 -4.312 11.892 791 HH21 ARG 99 1HH1 ARG 99 9.466 -4.359 15.196 792 HH22 ARG 99 2HH1 ARG 99 10.487 -5.100 14.009 793 H TYR 100 H TYR 100 3.985 0.975 10.645 794 HA TYR 100 HA TYR 100 4.799 3.523 9.632 795 HB2 TYR 100 2HB TYR 100 3.848 1.608 8.278 796 HB3 TYR 100 3HB TYR 100 2.262 2.019 8.932 797 HD1 TYR 100 HD2 TYR 100 5.028 3.135 6.769 798 HD2 TYR 100 HD1 TYR 100 1.110 4.065 8.266 799 HE1 TYR 100 HE2 TYR 100 4.791 4.904 5.051 800 HE2 TYR 100 HE1 TYR 100 0.875 5.837 6.549 801 HH TYR 100 HH TYR 100 2.791 7.324 5.166 802 H GLY 101 H GLY 101 1.848 2.457 11.325 803 HA2 GLY 101 2HA GLY 101 0.520 4.992 11.271 804 HA3 GLY 101 3HA GLY 101 0.184 3.697 12.419 805 H ALA 102 H ALA 102 2.888 3.586 13.485 806 HA ALA 102 HA ALA 102 2.668 5.552 15.556 807 HB1 ALA 102 3HB ALA 102 5.017 4.812 16.117 808 HB2 ALA 102 1HB ALA 102 4.987 3.821 14.659 809 HB3 ALA 102 2HB ALA 102 3.861 3.489 15.973 810 H GLU 103 H GLU 103 4.574 5.419 12.571 811 HA GLU 103 HA GLU 103 6.114 7.796 13.094 812 HB2 GLU 103 2HB GLU 103 5.391 6.371 10.521 813 HB3 GLU 103 3HB GLU 103 6.521 7.724 10.607 814 HG2 GLU 103 2HG GLU 103 7.957 6.475 12.140 815 HG3 GLU 103 3HG GLU 103 6.805 5.138 12.167 816 H ASN 104 H ASN 104 2.992 7.215 11.519 817 HA ASN 104 HA ASN 104 2.468 10.149 11.658 818 HB2 ASN 104 2HB ASN 104 1.337 9.927 9.368 819 HB3 ASN 104 3HB ASN 104 3.100 9.923 9.372 820 HD21 ASN 104 1HD2 ASN 104 3.280 8.642 7.426 821 HD22 ASN 104 2HD2 ASN 104 2.835 7.003 7.383 822 H GLY 105 H GLY 105 1.180 9.499 13.494 823 HA2 GLY 105 2HA GLY 105 -0.839 7.569 13.582 824 HA3 GLY 105 3HA GLY 105 -0.928 9.098 14.454 825 H LEU 106 H LEU 106 -2.168 7.289 11.825 826 HA LEU 106 HA LEU 106 -3.307 9.529 10.363 827 HB2 LEU 106 2HB LEU 106 -4.036 6.589 10.289 828 HB3 LEU 106 3HB LEU 106 -4.482 7.799 9.087 829 HG LEU 106 HG LEU 106 -1.644 6.995 9.798 830 HD11 LEU 106 1HD1 LEU 106 -1.708 6.133 7.395 831 HD12 LEU 106 2HD1 LEU 106 -3.462 6.305 7.481 832 HD13 LEU 106 3HD1 LEU 106 -2.629 5.199 8.573 833 HD21 LEU 106 3HD2 LEU 106 -1.467 9.219 9.050 834 HD22 LEU 106 1HD2 LEU 106 -2.827 9.057 7.937 835 HD23 LEU 106 2HD2 LEU 106 -1.275 8.312 7.556 836 H GLY 107 H GLY 107 -5.502 10.134 10.284 837 HA2 GLY 107 2HA GLY 107 -6.920 9.846 12.841 838 HA3 GLY 107 3HA GLY 107 -7.420 10.857 11.482 839 H PHE 108 H PHE 108 -6.730 8.072 10.007 840 HA PHE 108 HA PHE 108 -9.225 6.629 10.698 841 HB2 PHE 108 2HB PHE 108 -8.648 7.817 7.966 842 HB3 PHE 108 3HB PHE 108 -9.880 6.587 8.260 843 HD1 PHE 108 HD1 PHE 108 -11.810 7.068 9.758 844 HD2 PHE 108 HD2 PHE 108 -8.970 10.106 8.677 845 HE1 PHE 108 HE1 PHE 108 -13.378 8.816 10.555 846 HE2 PHE 108 HE2 PHE 108 -10.541 11.854 9.471 847 HZ PHE 108 HZ PHE 108 -12.743 11.208 10.414 848 H SER 109 H SER 109 -8.074 4.824 11.294 849 HA SER 109 HA SER 109 -7.077 3.117 9.181 850 HB2 SER 109 2HB SER 109 -5.110 4.609 9.481 851 HB3 SER 109 3HB SER 109 -5.055 4.170 11.186 852 HG SER 109 HG SER 109 -5.196 1.967 9.651 853 H LYS 110 H LYS 110 -8.441 1.565 10.008 854 HA LYS 110 HA LYS 110 -9.260 -0.086 11.430 855 HB2 LYS 110 2HB LYS 110 -6.721 -0.650 11.093 856 HB3 LYS 110 3HB LYS 110 -6.553 -0.139 12.771 857 HG2 LYS 110 2HG LYS 110 -8.172 -1.809 13.495 858 HG3 LYS 110 3HG LYS 110 -8.515 -2.258 11.826 859 HD2 LYS 110 2HD LYS 110 -6.174 -2.998 11.554 860 HD3 LYS 110 3HD LYS 110 -5.848 -2.564 13.233 861 HE2 LYS 110 2HE LYS 110 -7.554 -4.175 13.989 862 HE3 LYS 110 3HE LYS 110 -7.892 -4.607 12.314 863 HZ1 LYS 110 3HZ LYS 110 -5.169 -4.805 13.438 864 HZ2 LYS 110 1HZ LYS 110 -5.802 -5.566 12.061 865 HZ3 LYS 110 2HZ LYS 110 -6.289 -6.071 13.609 866 H SER 111 H SER 111 -9.544 -0.752 13.758 867 HA SER 111 HA SER 111 -10.272 -0.260 15.907 868 HB2 SER 111 2HB SER 111 -7.759 0.508 15.951 869 HB3 SER 111 3HB SER 111 -8.441 2.133 15.981 870 HG SER 111 HG SER 111 -8.377 1.579 18.075 871 H GLU 112 H GLU 112 -11.995 0.850 16.710 872 HA GLU 112 HA GLU 112 -13.812 2.312 16.688 873 HB2 GLU 112 2HB GLU 112 -11.526 4.189 16.023 874 HB3 GLU 112 3HB GLU 112 -13.180 4.763 16.206 875 HG2 GLU 112 2HG GLU 112 -12.293 5.040 18.366 876 HG3 GLU 112 3HG GLU 112 -13.125 3.497 18.497 877 H LEU 113 H LEU 113 -12.410 1.192 14.031 878 HA LEU 113 HA LEU 113 -13.973 2.797 12.076 879 HB2 LEU 113 2HB LEU 113 -11.548 1.158 12.017 880 HB3 LEU 113 3HB LEU 113 -12.654 0.662 10.744 881 HG LEU 113 HG LEU 113 -11.066 2.440 10.021 882 HD11 LEU 113 1HD1 LEU 113 -13.661 2.179 9.331 883 HD12 LEU 113 2HD1 LEU 113 -12.627 3.434 8.663 884 HD13 LEU 113 3HD1 LEU 113 -13.721 3.813 9.990 885 HD21 LEU 113 3HD2 LEU 113 -10.762 4.397 11.157 886 HD22 LEU 113 1HD2 LEU 113 -11.486 3.549 12.516 887 HD23 LEU 113 2HD2 LEU 113 -12.478 4.592 11.503 888 H GLU 114 H GLU 114 -13.627 -0.513 13.297 889 HA GLU 114 HA GLU 114 -15.824 -1.524 11.703 890 HB2 GLU 114 2HB GLU 114 -14.313 -2.630 14.078 891 HB3 GLU 114 3HB GLU 114 -15.576 -3.526 13.226 892 HG2 GLU 114 2HG GLU 114 -14.325 -3.342 11.126 893 HG3 GLU 114 3HG GLU 114 -13.086 -2.379 11.930 894 H HIS 115 H HIS 115 -17.911 -2.136 12.466 895 HA HIS 115 HA HIS 115 -18.733 -1.037 15.123 896 HB2 HIS 115 2HB HIS 115 -20.140 -0.551 12.480 897 HB3 HIS 115 3HB HIS 115 -20.781 -0.114 14.066 898 HD1 HIS 115 HD1 HIS 115 -19.131 1.526 15.513 899 HD2 HIS 115 HD2 HIS 115 -18.488 1.392 11.397 900 HE1 HIS 115 HE1 HIS 115 -17.752 3.570 14.939 901 H HIS 116 H HIS 116 -20.416 -2.173 16.092 902 HA HIS 116 HA HIS 116 -21.483 -4.559 14.630 903 HB2 HIS 116 2HB HIS 116 -20.324 -4.482 17.433 904 HB3 HIS 116 3HB HIS 116 -21.224 -5.845 16.766 905 HD1 HIS 116 HD1 HIS 116 -17.878 -4.919 17.286 906 HD2 HIS 116 HD2 HIS 116 -19.896 -6.452 13.976 907 HE1 HIS 116 HE1 HIS 116 -16.116 -5.940 15.779 908 H HIS 117 H HIS 117 -23.616 -4.978 15.048 909 HA HIS 117 HA HIS 117 -25.810 -4.527 15.705 910 HB2 HIS 117 2HB HIS 117 -24.333 -3.970 18.289 911 HB3 HIS 117 3HB HIS 117 -26.092 -4.006 18.162 912 HD1 HIS 117 HD1 HIS 117 -23.061 -6.229 17.924 913 HD2 HIS 117 HD2 HIS 117 -27.214 -6.581 17.827 914 HE1 HIS 117 HE1 HIS 117 -23.575 -8.705 18.076 915 H HIS 118 H HIS 118 -27.316 -2.792 16.409 916 HA HIS 118 HA HIS 118 -26.390 -0.186 15.410 917 HB2 HIS 118 2HB HIS 118 -28.603 -1.131 14.763 918 HB3 HIS 118 3HB HIS 118 -29.111 -1.045 16.449 919 HD1 HIS 118 HD1 HIS 118 -29.594 1.294 17.439 920 HD2 HIS 118 HD2 HIS 118 -28.436 1.388 13.436 921 HE1 HIS 118 HE1 HIS 118 -30.077 3.637 16.609 922 H HIS 119 H HIS 119 -26.441 -1.755 18.356 923 HA HIS 119 HA HIS 119 -26.245 -1.054 20.577 924 HB2 HIS 119 2HB HIS 119 -25.125 1.369 19.147 925 HB3 HIS 119 3HB HIS 119 -24.981 1.081 20.881 926 HD1 HIS 119 HD1 HIS 119 -23.920 -1.457 21.424 927 HD2 HIS 119 HD2 HIS 119 -22.997 0.302 17.758 928 HE1 HIS 119 HE1 HIS 119 -21.849 -2.636 20.564 929 H HIS 120 H HIS 120 -26.623 1.172 21.971 930 HA HIS 120 HA HIS 120 -29.464 1.558 21.952 931 HB2 HIS 120 2HB HIS 120 -27.273 3.159 23.307 932 HB3 HIS 120 3HB HIS 120 -28.992 3.303 23.666 933 HD1 HIS 120 HD1 HIS 120 -30.147 0.881 24.383 934 HD2 HIS 120 HD2 HIS 120 -26.019 1.241 24.851 935 HE1 HIS 120 HE1 HIS 120 -29.448 -0.938 26.002 Start of MODEL 18 1 H1 MET 1 1H MET 1 13.577 2.283 8.168 2 H2 MET 1 2H MET 1 13.300 3.486 7.000 3 H3 MET 1 3H MET 1 12.215 2.188 7.160 4 HA MET 1 HA MET 1 12.332 3.306 9.665 5 HB2 MET 1 2HB MET 1 12.192 5.392 7.465 6 HB3 MET 1 3HB MET 1 11.704 5.681 9.135 7 HG2 MET 1 2HG MET 1 13.972 5.128 9.912 8 HG3 MET 1 3HG MET 1 14.468 4.785 8.254 9 HE1 MET 1 3HE MET 1 14.310 7.349 11.007 10 HE2 MET 1 1HE MET 1 12.635 7.379 10.437 11 HE3 MET 1 2HE MET 1 13.653 8.804 10.261 12 H ALA 2 H ALA 2 10.948 1.440 8.042 13 HA ALA 2 HA ALA 2 8.804 0.772 7.375 14 HB1 ALA 2 3HB ALA 2 8.643 0.906 9.855 15 HB2 ALA 2 1HB ALA 2 7.104 1.220 9.055 16 HB3 ALA 2 2HB ALA 2 8.051 2.561 9.699 17 H GLU 3 H GLU 3 8.712 1.813 5.360 18 HA GLU 3 HA GLU 3 6.742 4.025 5.256 19 HB2 GLU 3 2HB GLU 3 8.129 5.315 3.678 20 HB3 GLU 3 3HB GLU 3 8.916 5.169 5.248 21 HG2 GLU 3 2HG GLU 3 10.273 3.281 4.383 22 HG3 GLU 3 3HG GLU 3 9.507 3.462 2.805 23 H ILE 4 H ILE 4 5.871 4.329 3.117 24 HA ILE 4 HA ILE 4 5.926 1.811 1.492 25 HB ILE 4 HB ILE 4 3.780 3.950 1.717 26 HG12 ILE 4 2HG1 ILE 4 3.750 1.066 2.660 27 HG13 ILE 4 3HG1 ILE 4 4.118 2.428 3.718 28 HG21 ILE 4 1HG2 ILE 4 4.035 1.404 0.105 29 HG22 ILE 4 2HG2 ILE 4 3.653 3.028 -0.472 30 HG23 ILE 4 3HG2 ILE 4 2.469 2.124 0.470 31 HD11 ILE 4 3HD1 ILE 4 1.909 3.438 3.090 32 HD12 ILE 4 1HD1 ILE 4 1.757 1.902 3.941 33 HD13 ILE 4 2HD1 ILE 4 1.540 1.965 2.193 34 H GLN 5 H GLN 5 6.725 1.922 -0.490 35 HA GLN 5 HA GLN 5 6.632 4.449 -2.022 36 HB2 GLN 5 2HB GLN 5 9.094 4.193 -2.592 37 HB3 GLN 5 3HB GLN 5 8.751 4.741 -0.953 38 HG2 GLN 5 2HG GLN 5 9.052 2.453 -0.107 39 HG3 GLN 5 3HG GLN 5 9.367 1.874 -1.741 40 HE21 GLN 5 1HE2 GLN 5 11.022 2.545 0.987 41 HE22 GLN 5 2HE2 GLN 5 12.472 3.150 0.342 42 H PHE 6 H PHE 6 6.831 4.148 -4.228 43 HA PHE 6 HA PHE 6 6.318 1.373 -5.171 44 HB2 PHE 6 2HB PHE 6 5.976 4.100 -6.477 45 HB3 PHE 6 3HB PHE 6 5.675 2.569 -7.303 46 HD1 PHE 6 HD1 PHE 6 3.949 0.977 -6.367 47 HD2 PHE 6 HD2 PHE 6 4.370 5.017 -4.971 48 HE1 PHE 6 HE1 PHE 6 1.680 0.870 -5.370 49 HE2 PHE 6 HE2 PHE 6 2.103 4.910 -3.974 50 HZ PHE 6 HZ PHE 6 0.758 2.836 -4.174 51 H SER 7 H SER 7 8.046 4.208 -6.487 52 HA SER 7 HA SER 7 9.880 2.537 -7.995 53 HB2 SER 7 2HB SER 7 9.691 5.509 -7.475 54 HB3 SER 7 3HB SER 7 11.044 4.812 -8.363 55 HG SER 7 HG SER 7 9.475 3.874 -9.777 56 H LYS 8 H LYS 8 12.247 2.777 -7.746 57 HA LYS 8 HA LYS 8 13.025 2.254 -4.974 58 HB2 LYS 8 2HB LYS 8 14.559 2.230 -7.594 59 HB3 LYS 8 3HB LYS 8 15.285 1.833 -6.036 60 HG2 LYS 8 2HG LYS 8 13.634 0.028 -5.719 61 HG3 LYS 8 3HG LYS 8 12.905 0.419 -7.277 62 HD2 LYS 8 2HD LYS 8 14.982 -0.137 -8.434 63 HD3 LYS 8 3HD LYS 8 15.793 -0.425 -6.894 64 HE2 LYS 8 2HE LYS 8 15.093 -2.558 -7.886 65 HE3 LYS 8 3HE LYS 8 14.185 -2.250 -6.405 66 HZ1 LYS 8 3HZ LYS 8 12.287 -1.706 -7.581 67 HZ2 LYS 8 1HZ LYS 8 12.918 -2.993 -8.489 68 HZ3 LYS 8 2HZ LYS 8 13.132 -1.393 -9.022 69 H GLY 9 H GLY 9 12.190 4.977 -5.756 70 HA2 GLY 9 2HA GLY 9 14.388 6.422 -4.466 71 HA3 GLY 9 3HA GLY 9 14.101 6.905 -6.140 72 H VAL 10 H VAL 10 11.334 6.681 -6.272 73 HA VAL 10 HA VAL 10 9.614 8.300 -6.074 74 HB VAL 10 HB VAL 10 8.481 7.977 -3.871 75 HG11 VAL 10 1HG1 VAL 10 8.220 6.384 -5.758 76 HG12 VAL 10 2HG1 VAL 10 8.015 5.637 -4.173 77 HG13 VAL 10 3HG1 VAL 10 9.520 5.413 -5.065 78 HG21 VAL 10 3HG2 VAL 10 10.682 7.787 -2.583 79 HG22 VAL 10 1HG2 VAL 10 10.813 6.156 -3.234 80 HG23 VAL 10 2HG2 VAL 10 9.471 6.583 -2.181 81 H ALA 11 H ALA 11 9.228 9.311 -3.157 82 HA ALA 11 HA ALA 11 11.368 11.232 -2.795 83 HB1 ALA 11 3HB ALA 11 9.941 12.188 -4.671 84 HB2 ALA 11 1HB ALA 11 10.109 13.221 -3.253 85 HB3 ALA 11 2HB ALA 11 8.622 12.303 -3.503 86 H GLU 12 H GLU 12 9.185 13.027 -1.588 87 HA GLU 12 HA GLU 12 9.403 12.095 1.092 88 HB2 GLU 12 2HB GLU 12 9.021 14.472 0.496 89 HB3 GLU 12 3HB GLU 12 7.390 14.067 -0.046 90 HG2 GLU 12 2HG GLU 12 6.813 13.284 2.209 91 HG3 GLU 12 3HG GLU 12 8.454 13.608 2.758 92 H THR 13 H THR 13 7.981 11.060 2.427 93 HA THR 13 HA THR 13 6.213 9.125 1.244 94 HB THR 13 HB THR 13 5.715 8.482 3.560 95 HG1 THR 13 HG1 THR 13 6.306 11.047 4.004 96 HG21 THR 13 3HG2 THR 13 7.882 7.823 2.517 97 HG22 THR 13 1HG2 THR 13 7.988 7.970 4.271 98 HG23 THR 13 2HG2 THR 13 8.630 9.249 3.238 99 H VAL 14 H VAL 14 4.045 9.092 1.067 100 HA VAL 14 HA VAL 14 2.620 11.655 1.321 101 HB VAL 14 HB VAL 14 1.275 9.105 0.420 102 HG11 VAL 14 1HG1 VAL 14 -0.007 10.567 -0.904 103 HG12 VAL 14 2HG1 VAL 14 1.231 11.824 -0.886 104 HG13 VAL 14 3HG1 VAL 14 0.270 11.517 0.555 105 HG21 VAL 14 3HG2 VAL 14 3.360 8.881 -0.730 106 HG22 VAL 14 1HG2 VAL 14 3.442 10.611 -1.062 107 HG23 VAL 14 2HG2 VAL 14 2.248 9.611 -1.887 108 H VAL 15 H VAL 15 0.034 10.137 1.632 109 HA VAL 15 HA VAL 15 0.148 9.254 4.465 110 HB VAL 15 HB VAL 15 -1.737 11.456 3.561 111 HG11 VAL 15 1HG1 VAL 15 -2.171 11.649 5.964 112 HG12 VAL 15 2HG1 VAL 15 -0.972 10.400 6.300 113 HG13 VAL 15 3HG1 VAL 15 -2.458 9.989 5.445 114 HG21 VAL 15 3HG2 VAL 15 -0.261 12.908 5.018 115 HG22 VAL 15 1HG2 VAL 15 0.512 12.369 3.529 116 HG23 VAL 15 2HG2 VAL 15 0.902 11.583 5.058 117 HA PRO 16 HA PRO 16 -2.900 7.036 1.701 118 HB2 PRO 16 2HB PRO 16 -1.780 4.552 1.805 119 HB3 PRO 16 3HB PRO 16 -1.264 5.786 0.644 120 HG2 PRO 16 2HG PRO 16 0.028 4.938 3.190 121 HG3 PRO 16 3HG PRO 16 0.770 5.387 1.643 122 HD2 PRO 16 2HD PRO 16 0.582 7.087 3.828 123 HD3 PRO 16 3HD PRO 16 0.755 7.642 2.153 124 H GLU 17 H GLU 17 -4.571 5.688 2.393 125 HA GLU 17 HA GLU 17 -4.684 5.235 5.332 126 HB2 GLU 17 2HB GLU 17 -6.827 5.274 3.190 127 HB3 GLU 17 3HB GLU 17 -7.129 4.858 4.879 128 HG2 GLU 17 2HG GLU 17 -6.293 7.041 5.601 129 HG3 GLU 17 3HG GLU 17 -5.899 7.464 3.934 130 H VAL 18 H VAL 18 -5.125 3.255 6.204 131 HA VAL 18 HA VAL 18 -4.604 0.910 4.430 132 HB VAL 18 HB VAL 18 -4.464 1.075 7.456 133 HG11 VAL 18 1HG1 VAL 18 -3.639 -0.971 5.384 134 HG12 VAL 18 2HG1 VAL 18 -4.751 -1.188 6.736 135 HG13 VAL 18 3HG1 VAL 18 -3.024 -0.994 7.036 136 HG21 VAL 18 3HG2 VAL 18 -2.016 1.194 7.123 137 HG22 VAL 18 1HG2 VAL 18 -2.815 2.585 6.391 138 HG23 VAL 18 2HG2 VAL 18 -2.257 1.255 5.377 139 H ARG 19 H ARG 19 -6.112 -0.561 4.103 140 HA ARG 19 HA ARG 19 -8.484 -0.720 5.914 141 HB2 ARG 19 2HB ARG 19 -9.074 0.640 3.908 142 HB3 ARG 19 3HB ARG 19 -8.620 -0.721 2.881 143 HG2 ARG 19 2HG ARG 19 -10.315 -2.131 3.993 144 HG3 ARG 19 3HG ARG 19 -10.765 -0.771 5.025 145 HD2 ARG 19 2HD ARG 19 -11.308 0.539 2.943 146 HD3 ARG 19 3HD ARG 19 -11.030 -0.929 2.006 147 HE ARG 19 HE ARG 19 -12.949 -1.330 4.162 148 HH11 ARG 19 1HH2 ARG 19 -12.470 -0.180 0.918 149 HH12 ARG 19 2HH2 ARG 19 -14.114 -0.461 0.451 150 HH21 ARG 19 1HH1 ARG 19 -15.085 -1.682 3.545 151 HH22 ARG 19 2HH1 ARG 19 -15.592 -1.294 1.935 152 H LEU 20 H LEU 20 -9.235 -2.765 6.222 153 HA LEU 20 HA LEU 20 -7.608 -4.981 5.040 154 HB2 LEU 20 2HB LEU 20 -9.396 -4.982 7.496 155 HB3 LEU 20 3HB LEU 20 -8.357 -6.301 6.958 156 HG LEU 20 HG LEU 20 -7.396 -3.542 7.768 157 HD11 LEU 20 1HD1 LEU 20 -6.435 -4.724 9.718 158 HD12 LEU 20 2HD1 LEU 20 -7.188 -6.223 9.172 159 HD13 LEU 20 3HD1 LEU 20 -8.193 -4.867 9.686 160 HD21 LEU 20 3HD2 LEU 20 -5.161 -4.950 7.763 161 HD22 LEU 20 1HD2 LEU 20 -5.779 -4.293 6.254 162 HD23 LEU 20 2HD2 LEU 20 -6.044 -5.992 6.651 163 H SER 21 H SER 21 -8.492 -6.244 3.601 164 HA SER 21 HA SER 21 -11.414 -6.103 3.084 165 HB2 SER 21 2HB SER 21 -9.059 -7.163 1.510 166 HB3 SER 21 3HB SER 21 -10.725 -7.503 1.042 167 HG SER 21 HG SER 21 -10.930 -5.517 0.390 168 H LYS 22 H LYS 22 -12.514 -8.150 2.578 169 HA LYS 22 HA LYS 22 -11.664 -10.323 4.461 170 HB2 LYS 22 2HB LYS 22 -14.007 -10.942 4.565 171 HB3 LYS 22 3HB LYS 22 -13.857 -9.224 4.914 172 HG2 LYS 22 2HG LYS 22 -15.473 -8.939 3.312 173 HG3 LYS 22 3HG LYS 22 -14.178 -9.203 2.148 174 HD2 LYS 22 2HD LYS 22 -14.677 -11.669 2.260 175 HD3 LYS 22 3HD LYS 22 -16.065 -11.292 3.276 176 HE2 LYS 22 2HE LYS 22 -15.621 -10.172 0.498 177 HE3 LYS 22 3HE LYS 22 -16.664 -11.545 0.866 178 HZ1 LYS 22 3HZ LYS 22 -17.454 -8.973 0.857 179 HZ2 LYS 22 1HZ LYS 22 -17.142 -9.221 2.504 180 HZ3 LYS 22 2HZ LYS 22 -18.245 -10.224 1.691 181 H SER 23 H SER 23 -11.412 -12.349 3.715 182 HA SER 23 HA SER 23 -12.393 -13.208 1.105 183 HB2 SER 23 2HB SER 23 -10.101 -11.871 0.886 184 HB3 SER 23 3HB SER 23 -9.410 -13.412 1.379 185 HG SER 23 HG SER 23 -9.699 -13.193 -0.911 186 H LYS 24 H LYS 24 -12.421 -13.928 4.031 187 HA LYS 24 HA LYS 24 -10.883 -16.269 4.489 188 HB2 LYS 24 2HB LYS 24 -12.090 -15.031 6.287 189 HB3 LYS 24 3HB LYS 24 -13.624 -15.575 5.611 190 HG2 LYS 24 2HG LYS 24 -13.029 -17.045 7.450 191 HG3 LYS 24 3HG LYS 24 -12.868 -17.949 5.951 192 HD2 LYS 24 2HD LYS 24 -10.509 -17.834 5.977 193 HD3 LYS 24 3HD LYS 24 -10.494 -16.499 7.131 194 HE2 LYS 24 2HE LYS 24 -9.854 -18.535 8.269 195 HE3 LYS 24 3HE LYS 24 -11.456 -18.066 8.832 196 HZ1 LYS 24 3HZ LYS 24 -12.469 -19.706 7.558 197 HZ2 LYS 24 1HZ LYS 24 -11.092 -20.481 8.175 198 HZ3 LYS 24 2HZ LYS 24 -11.106 -19.928 6.568 199 H ASN 25 H ASN 25 -14.185 -15.835 3.231 200 HA ASN 25 HA ASN 25 -14.410 -18.730 2.646 201 HB2 ASN 25 2HB ASN 25 -16.692 -18.174 1.921 202 HB3 ASN 25 3HB ASN 25 -16.377 -17.505 3.519 203 HD21 ASN 25 1HD2 ASN 25 -18.320 -16.081 2.684 204 HD22 ASN 25 2HD2 ASN 25 -17.902 -14.658 1.858 205 H GLY 26 H GLY 26 -12.996 -16.131 1.196 206 HA2 GLY 26 2HA GLY 26 -13.747 -16.811 -1.593 207 HA3 GLY 26 3HA GLY 26 -12.735 -15.462 -1.085 208 H GLN 27 H GLN 27 -10.639 -16.198 0.056 209 HA GLN 27 HA GLN 27 -9.521 -18.705 -1.087 210 HB2 GLN 27 2HB GLN 27 -7.461 -17.277 -1.763 211 HB3 GLN 27 3HB GLN 27 -8.875 -17.222 -2.812 212 HG2 GLN 27 2HG GLN 27 -9.609 -15.130 -1.763 213 HG3 GLN 27 3HG GLN 27 -8.246 -15.188 -0.649 214 HE21 GLN 27 1HE2 GLN 27 -7.654 -13.028 -1.669 215 HE22 GLN 27 2HE2 GLN 27 -6.793 -13.033 -3.132 216 H SER 28 H SER 28 -8.987 -15.807 0.914 217 HA SER 28 HA SER 28 -8.167 -17.299 3.217 218 HB2 SER 28 2HB SER 28 -5.983 -16.192 1.447 219 HB3 SER 28 3HB SER 28 -5.742 -16.385 3.184 220 HG SER 28 HG SER 28 -5.483 -18.215 1.351 221 H GLY 29 H GLY 29 -6.500 -14.375 2.164 222 HA2 GLY 29 2HA GLY 29 -8.339 -12.451 3.216 223 HA3 GLY 29 3HA GLY 29 -7.159 -12.860 4.457 224 H MET 30 H MET 30 -7.500 -10.319 3.101 225 HA MET 30 HA MET 30 -4.704 -9.875 2.360 226 HB2 MET 30 2HB MET 30 -5.558 -8.652 0.193 227 HB3 MET 30 3HB MET 30 -5.301 -10.393 0.164 228 HG2 MET 30 2HG MET 30 -7.669 -10.810 0.516 229 HG3 MET 30 3HG MET 30 -7.978 -9.088 0.729 230 HE1 MET 30 3HE MET 30 -9.517 -10.950 -1.174 231 HE2 MET 30 1HE MET 30 -9.635 -10.046 -2.689 232 HE3 MET 30 2HE MET 30 -9.884 -9.228 -1.150 233 H ALA 31 H ALA 31 -4.489 -7.479 1.650 234 HA ALA 31 HA ALA 31 -6.349 -5.741 3.224 235 HB1 ALA 31 3HB ALA 31 -4.300 -6.191 4.551 236 HB2 ALA 31 1HB ALA 31 -4.421 -4.497 4.080 237 HB3 ALA 31 2HB ALA 31 -3.318 -5.574 3.222 238 H LYS 32 H LYS 32 -6.571 -3.663 2.446 239 HA LYS 32 HA LYS 32 -5.564 -3.202 -0.340 240 HB2 LYS 32 2HB LYS 32 -8.012 -2.026 1.023 241 HB3 LYS 32 3HB LYS 32 -7.550 -1.833 -0.666 242 HG2 LYS 32 2HG LYS 32 -8.019 -4.565 0.525 243 HG3 LYS 32 3HG LYS 32 -9.341 -3.613 -0.143 244 HD2 LYS 32 2HD LYS 32 -8.068 -3.441 -2.291 245 HD3 LYS 32 3HD LYS 32 -6.844 -4.511 -1.617 246 HE2 LYS 32 2HE LYS 32 -8.513 -6.277 -1.311 247 HE3 LYS 32 3HE LYS 32 -9.765 -5.213 -1.953 248 HZ1 LYS 32 3HZ LYS 32 -9.218 -6.110 -3.908 249 HZ2 LYS 32 1HZ LYS 32 -7.733 -6.708 -3.344 250 HZ3 LYS 32 2HZ LYS 32 -7.857 -5.093 -3.853 251 H PHE 33 H PHE 33 -4.801 -1.199 -0.893 252 HA PHE 33 HA PHE 33 -4.245 0.712 1.352 253 HB2 PHE 33 2HB PHE 33 -2.393 -0.322 -0.808 254 HB3 PHE 33 3HB PHE 33 -2.086 1.198 0.036 255 HD1 PHE 33 HD1 PHE 33 -2.338 -2.467 0.404 256 HD2 PHE 33 HD2 PHE 33 -1.493 1.247 2.391 257 HE1 PHE 33 HE1 PHE 33 -1.381 -3.710 2.325 258 HE2 PHE 33 HE2 PHE 33 -0.533 0.003 4.309 259 HZ PHE 33 HZ PHE 33 -0.473 -2.473 4.273 260 H TYR 34 H TYR 34 -4.660 2.773 0.930 261 HA TYR 34 HA TYR 34 -5.434 3.549 -1.868 262 HB2 TYR 34 2HB TYR 34 -7.382 3.408 -0.353 263 HB3 TYR 34 3HB TYR 34 -6.606 4.554 0.743 264 HD1 TYR 34 HD1 TYR 34 -7.982 4.122 -2.682 265 HD2 TYR 34 HD2 TYR 34 -6.576 6.902 0.275 266 HE1 TYR 34 HE1 TYR 34 -8.844 6.005 -4.044 267 HE2 TYR 34 HE2 TYR 34 -7.441 8.787 -1.087 268 HH TYR 34 HH TYR 34 -9.153 8.199 -4.160 269 H PHE 35 H PHE 35 -4.285 5.120 -2.692 270 HA PHE 35 HA PHE 35 -2.603 6.840 -0.907 271 HB2 PHE 35 2HB PHE 35 -2.220 6.122 -3.831 272 HB3 PHE 35 3HB PHE 35 -1.143 7.124 -2.858 273 HD1 PHE 35 HD2 PHE 35 -2.477 3.692 -3.302 274 HD2 PHE 35 HD1 PHE 35 0.369 6.181 -1.262 275 HE1 PHE 35 HE2 PHE 35 -1.307 1.670 -2.469 276 HE2 PHE 35 HE1 PHE 35 1.538 4.158 -0.428 277 HZ PHE 35 HZ PHE 35 0.698 1.902 -1.033 278 H LEU 36 H LEU 36 -3.295 8.832 -0.706 279 HA LEU 36 HA LEU 36 -5.240 9.962 -2.601 280 HB2 LEU 36 2HB LEU 36 -5.690 10.261 -0.225 281 HB3 LEU 36 3HB LEU 36 -4.107 11.002 0.018 282 HG LEU 36 HG LEU 36 -4.730 12.896 -1.398 283 HD11 LEU 36 1HD1 LEU 36 -6.122 12.034 -3.085 284 HD12 LEU 36 2HD1 LEU 36 -7.255 12.944 -2.094 285 HD13 LEU 36 3HD1 LEU 36 -7.158 11.190 -1.935 286 HD21 LEU 36 3HD2 LEU 36 -6.514 13.851 -0.024 287 HD22 LEU 36 1HD2 LEU 36 -5.384 12.953 0.991 288 HD23 LEU 36 2HD2 LEU 36 -6.943 12.245 0.565 289 H GLU 37 H GLU 37 -4.712 11.282 -4.167 290 HA GLU 37 HA GLU 37 -3.299 12.376 -5.703 291 HB2 GLU 37 2HB GLU 37 -3.207 13.957 -3.136 292 HB3 GLU 37 3HB GLU 37 -2.423 14.541 -4.603 293 HG2 GLU 37 2HG GLU 37 -5.313 13.658 -4.608 294 HG3 GLU 37 3HG GLU 37 -4.852 15.306 -4.186 295 HA PRO 38 HA PRO 38 0.586 10.364 -4.024 296 HB2 PRO 38 2HB PRO 38 0.610 9.303 -6.811 297 HB3 PRO 38 3HB PRO 38 0.874 8.448 -5.281 298 HG2 PRO 38 2HG PRO 38 -1.387 8.165 -6.685 299 HG3 PRO 38 3HG PRO 38 -1.382 8.148 -4.917 300 HD2 PRO 38 2HD PRO 38 -2.232 10.342 -6.773 301 HD3 PRO 38 3HD PRO 38 -2.917 9.859 -5.208 302 H THR 39 H THR 39 2.649 11.100 -4.426 303 HA THR 39 HA THR 39 2.896 13.508 -6.075 304 HB THR 39 HB THR 39 5.226 13.541 -5.092 305 HG1 THR 39 HG1 THR 39 5.265 11.211 -4.804 306 HG21 THR 39 3HG2 THR 39 2.792 13.333 -3.318 307 HG22 THR 39 1HG2 THR 39 3.565 14.792 -3.938 308 HG23 THR 39 2HG2 THR 39 4.367 13.827 -2.697 309 H ILE 40 H ILE 40 3.571 10.161 -6.434 310 HA ILE 40 HA ILE 40 5.799 10.350 -8.257 311 HB ILE 40 HB ILE 40 5.092 8.295 -6.936 312 HG12 ILE 40 2HG1 ILE 40 5.260 7.752 -9.907 313 HG13 ILE 40 3HG1 ILE 40 6.645 8.327 -8.979 314 HG21 ILE 40 1HG2 ILE 40 2.639 8.589 -7.657 315 HG22 ILE 40 2HG2 ILE 40 3.282 6.950 -7.670 316 HG23 ILE 40 3HG2 ILE 40 3.118 7.845 -9.180 317 HD11 ILE 40 3HD1 ILE 40 6.504 6.392 -7.502 318 HD12 ILE 40 1HD1 ILE 40 6.603 5.850 -9.177 319 HD13 ILE 40 2HD1 ILE 40 5.053 5.833 -8.333 320 H LEU 41 H LEU 41 2.744 11.476 -8.618 321 HA LEU 41 HA LEU 41 2.245 10.612 -11.382 322 HB2 LEU 41 2HB LEU 41 0.920 12.733 -9.646 323 HB3 LEU 41 3HB LEU 41 0.347 12.237 -11.239 324 HG LEU 41 HG LEU 41 0.684 10.364 -8.878 325 HD11 LEU 41 1HD1 LEU 41 -1.703 11.860 -9.968 326 HD12 LEU 41 2HD1 LEU 41 -1.143 11.758 -8.298 327 HD13 LEU 41 3HD1 LEU 41 -1.896 10.360 -9.064 328 HD21 LEU 41 3HD2 LEU 41 -0.958 9.041 -10.523 329 HD22 LEU 41 1HD2 LEU 41 0.787 8.956 -10.725 330 HD23 LEU 41 2HD2 LEU 41 -0.167 10.031 -11.745 331 H ALA 42 H ALA 42 4.172 12.934 -9.854 332 HA ALA 42 HA ALA 42 4.107 14.864 -12.107 333 HB1 ALA 42 3HB ALA 42 5.891 14.856 -9.647 334 HB2 ALA 42 1HB ALA 42 4.296 15.612 -9.701 335 HB3 ALA 42 2HB ALA 42 5.589 16.207 -10.740 336 H LYS 43 H LYS 43 5.779 12.045 -11.133 337 HA LYS 43 HA LYS 43 8.174 12.701 -12.800 338 HB2 LYS 43 2HB LYS 43 7.608 10.445 -10.842 339 HB3 LYS 43 3HB LYS 43 9.087 10.586 -11.796 340 HG2 LYS 43 2HG LYS 43 9.536 12.792 -10.781 341 HG3 LYS 43 3HG LYS 43 8.065 12.648 -9.819 342 HD2 LYS 43 2HD LYS 43 8.962 10.627 -8.727 343 HD3 LYS 43 3HD LYS 43 10.430 10.750 -9.698 344 HE2 LYS 43 2HE LYS 43 10.904 12.961 -8.698 345 HE3 LYS 43 3HE LYS 43 9.443 12.828 -7.719 346 HZ1 LYS 43 3HZ LYS 43 11.760 12.089 -6.791 347 HZ2 LYS 43 1HZ LYS 43 11.397 10.648 -7.609 348 HZ3 LYS 43 2HZ LYS 43 10.349 11.225 -6.403 349 H GLU 44 H GLU 44 5.988 9.907 -12.260 350 HA GLU 44 HA GLU 44 5.877 9.485 -15.205 351 HB2 GLU 44 2HB GLU 44 6.771 7.417 -13.175 352 HB3 GLU 44 3HB GLU 44 6.260 7.017 -14.815 353 HG2 GLU 44 2HG GLU 44 8.019 8.481 -15.732 354 HG3 GLU 44 3HG GLU 44 8.525 8.908 -14.098 355 H SER 45 H SER 45 4.169 8.009 -15.816 356 HA SER 45 HA SER 45 1.698 8.547 -14.500 357 HB2 SER 45 2HB SER 45 1.937 7.994 -16.928 358 HB3 SER 45 3HB SER 45 2.312 6.332 -16.484 359 HG SER 45 HG SER 45 0.279 6.067 -15.746 360 H THR 46 H THR 46 0.312 6.201 -14.445 361 HA THR 46 HA THR 46 1.426 4.889 -12.017 362 HB THR 46 HB THR 46 -0.856 4.143 -11.592 363 HG1 THR 46 HG1 THR 46 -1.204 4.983 -14.228 364 HG21 THR 46 3HG2 THR 46 -0.132 6.515 -11.052 365 HG22 THR 46 1HG2 THR 46 -1.874 6.264 -11.174 366 HG23 THR 46 2HG2 THR 46 -0.996 7.020 -12.503 367 H ASP 47 H ASP 47 0.736 4.274 -15.356 368 HA ASP 47 HA ASP 47 0.397 1.427 -15.246 369 HB2 ASP 47 2HB ASP 47 1.235 3.393 -17.380 370 HB3 ASP 47 3HB ASP 47 1.415 1.669 -17.698 371 H ASP 48 H ASP 48 3.221 3.509 -15.410 372 HA ASP 48 HA ASP 48 5.203 1.533 -15.919 373 HB2 ASP 48 2HB ASP 48 6.781 3.192 -14.999 374 HB3 ASP 48 3HB ASP 48 5.603 3.983 -16.044 375 H ILE 49 H ILE 49 3.780 2.738 -12.911 376 HA ILE 49 HA ILE 49 5.447 1.469 -11.036 377 HB ILE 49 HB ILE 49 2.450 1.947 -10.894 378 HG12 ILE 49 2HG1 ILE 49 4.742 3.572 -9.746 379 HG13 ILE 49 3HG1 ILE 49 3.966 3.948 -11.282 380 HG21 ILE 49 1HG2 ILE 49 2.985 1.950 -8.382 381 HG22 ILE 49 2HG2 ILE 49 4.510 1.180 -8.819 382 HG23 ILE 49 3HG2 ILE 49 2.982 0.379 -9.174 383 HD11 ILE 49 3HD1 ILE 49 2.838 5.309 -9.704 384 HD12 ILE 49 1HD1 ILE 49 2.757 4.008 -8.518 385 HD13 ILE 49 2HD1 ILE 49 1.750 3.948 -9.958 386 H THR 50 H THR 50 2.192 0.224 -11.241 387 HA THR 50 HA THR 50 1.330 -1.931 -11.419 388 HB THR 50 HB THR 50 3.964 -2.821 -12.603 389 HG1 THR 50 HG1 THR 50 3.525 -1.766 -14.387 390 HG21 THR 50 3HG2 THR 50 2.076 -4.431 -12.094 391 HG22 THR 50 1HG2 THR 50 2.594 -4.395 -13.780 392 HG23 THR 50 2HG2 THR 50 1.117 -3.563 -13.293 393 H GLY 51 H GLY 51 4.716 -1.773 -10.421 394 HA2 GLY 51 2HA GLY 51 4.335 -3.992 -8.507 395 HA3 GLY 51 3HA GLY 51 5.875 -3.280 -8.970 396 H MET 52 H MET 52 4.556 -3.736 -6.322 397 HA MET 52 HA MET 52 4.811 -0.932 -5.271 398 HB2 MET 52 2HB MET 52 2.454 -1.714 -5.205 399 HB3 MET 52 3HB MET 52 2.957 -3.103 -4.237 400 HG2 MET 52 2HG MET 52 3.749 -1.638 -2.462 401 HG3 MET 52 3HG MET 52 3.419 -0.213 -3.446 402 HE1 MET 52 3HE MET 52 0.890 -3.493 -3.041 403 HE2 MET 52 1HE MET 52 0.596 -3.064 -1.350 404 HE3 MET 52 2HE MET 52 2.240 -3.328 -1.922 405 H TYR 53 H TYR 53 6.405 -0.727 -3.878 406 HA TYR 53 HA TYR 53 7.568 -3.170 -2.596 407 HB2 TYR 53 2HB TYR 53 8.792 -0.480 -3.270 408 HB3 TYR 53 3HB TYR 53 9.608 -1.731 -2.330 409 HD1 TYR 53 HD1 TYR 53 8.009 -1.035 -5.627 410 HD2 TYR 53 HD2 TYR 53 10.636 -3.587 -3.386 411 HE1 TYR 53 HE1 TYR 53 8.686 -2.178 -7.722 412 HE2 TYR 53 HE2 TYR 53 11.312 -4.732 -5.481 413 HH TYR 53 HH TYR 53 10.585 -3.493 -8.566 414 H LEU 54 H LEU 54 6.832 -3.410 -0.614 415 HA LEU 54 HA LEU 54 6.251 -1.043 1.103 416 HB2 LEU 54 2HB LEU 54 5.727 -3.980 1.664 417 HB3 LEU 54 3HB LEU 54 5.077 -2.597 2.542 418 HG LEU 54 HG LEU 54 4.515 -3.261 -0.364 419 HD11 LEU 54 1HD1 LEU 54 2.643 -3.292 2.018 420 HD12 LEU 54 2HD1 LEU 54 3.428 -4.736 1.378 421 HD13 LEU 54 3HD1 LEU 54 2.293 -3.832 0.376 422 HD21 LEU 54 3HD2 LEU 54 2.709 -1.415 0.114 423 HD22 LEU 54 1HD2 LEU 54 4.362 -0.920 -0.249 424 HD23 LEU 54 2HD2 LEU 54 3.794 -0.937 1.421 425 H ILE 55 H ILE 55 7.788 -0.392 2.466 426 HA ILE 55 HA ILE 55 9.998 -2.272 3.202 427 HB ILE 55 HB ILE 55 9.826 0.758 3.246 428 HG12 ILE 55 2HG1 ILE 55 11.726 0.475 1.606 429 HG13 ILE 55 3HG1 ILE 55 11.424 -1.259 1.635 430 HG21 ILE 55 1HG2 ILE 55 11.148 0.181 5.136 431 HG22 ILE 55 2HG2 ILE 55 12.300 0.527 3.847 432 HG23 ILE 55 3HG2 ILE 55 11.931 -1.145 4.277 433 HD11 ILE 55 3HD1 ILE 55 9.056 0.483 1.091 434 HD12 ILE 55 1HD1 ILE 55 9.493 -1.083 0.413 435 HD13 ILE 55 2HD1 ILE 55 10.277 0.376 -0.172 436 H ASP 56 H ASP 56 10.217 -2.963 5.199 437 HA ASP 56 HA ASP 56 8.812 -1.560 7.441 438 HB2 ASP 56 2HB ASP 56 8.906 -4.566 6.996 439 HB3 ASP 56 3HB ASP 56 8.162 -3.738 8.363 440 H ASP 57 H ASP 57 9.625 -3.529 9.344 441 HA ASP 57 HA ASP 57 12.270 -2.572 9.968 442 HB2 ASP 57 2HB ASP 57 12.096 -4.092 11.928 443 HB3 ASP 57 3HB ASP 57 10.660 -3.088 11.749 444 H GLU 58 H GLU 58 13.728 -3.219 8.469 445 HA GLU 58 HA GLU 58 15.351 -4.590 7.510 446 HB2 GLU 58 2HB GLU 58 14.300 -6.636 9.495 447 HB3 GLU 58 3HB GLU 58 15.778 -6.775 8.572 448 HG2 GLU 58 2HG GLU 58 16.666 -4.745 9.633 449 HG3 GLU 58 3HG GLU 58 15.163 -4.548 10.536 450 H GLY 59 H GLY 59 12.189 -6.085 8.017 451 HA2 GLY 59 2HA GLY 59 12.448 -7.757 5.619 452 HA3 GLY 59 3HA GLY 59 11.089 -7.736 6.738 453 H GLU 60 H GLU 60 10.819 -7.696 3.950 454 HA GLU 60 HA GLU 60 9.241 -5.226 3.637 455 HB2 GLU 60 2HB GLU 60 10.256 -4.641 1.492 456 HB3 GLU 60 3HB GLU 60 11.480 -4.623 2.759 457 HG2 GLU 60 2HG GLU 60 12.138 -6.947 2.094 458 HG3 GLU 60 3HG GLU 60 10.995 -6.851 0.754 459 H ILE 61 H ILE 61 7.611 -5.424 2.117 460 HA ILE 61 HA ILE 61 7.183 -8.166 0.970 461 HB ILE 61 HB ILE 61 5.144 -6.202 2.064 462 HG12 ILE 61 2HG1 ILE 61 5.799 -9.020 2.952 463 HG13 ILE 61 3HG1 ILE 61 6.539 -7.596 3.683 464 HG21 ILE 61 1HG2 ILE 61 4.891 -8.810 0.559 465 HG22 ILE 61 2HG2 ILE 61 4.124 -7.263 0.192 466 HG23 ILE 61 3HG2 ILE 61 3.598 -8.200 1.591 467 HD11 ILE 61 3HD1 ILE 61 3.564 -8.176 3.546 468 HD12 ILE 61 1HD1 ILE 61 4.289 -6.730 4.252 469 HD13 ILE 61 2HD1 ILE 61 4.577 -8.309 4.986 470 H ILE 62 H ILE 62 6.920 -8.252 -1.141 471 HA ILE 62 HA ILE 62 6.310 -5.737 -2.663 472 HB ILE 62 HB ILE 62 8.185 -8.003 -3.425 473 HG12 ILE 62 2HG1 ILE 62 8.821 -5.072 -3.015 474 HG13 ILE 62 3HG1 ILE 62 8.937 -6.243 -1.702 475 HG21 ILE 62 1HG2 ILE 62 8.667 -6.373 -5.355 476 HG22 ILE 62 2HG2 ILE 62 7.167 -5.565 -4.900 477 HG23 ILE 62 3HG2 ILE 62 7.137 -7.246 -5.430 478 HD11 ILE 62 3HD1 ILE 62 10.598 -7.519 -2.883 479 HD12 ILE 62 1HD1 ILE 62 11.101 -5.832 -2.960 480 HD13 ILE 62 2HD1 ILE 62 10.346 -6.589 -4.362 481 H THR 63 H THR 63 4.695 -5.863 -4.060 482 HA THR 63 HA THR 63 3.735 -8.505 -5.033 483 HB THR 63 HB THR 63 2.335 -8.123 -3.103 484 HG1 THR 63 HG1 THR 63 0.425 -7.239 -4.691 485 HG21 THR 63 3HG2 THR 63 2.044 -5.334 -4.241 486 HG22 THR 63 1HG2 THR 63 2.617 -5.803 -2.638 487 HG23 THR 63 2HG2 THR 63 0.915 -5.993 -3.057 488 H ARG 64 H ARG 64 2.579 -8.384 -6.965 489 HA ARG 64 HA ARG 64 3.059 -5.907 -8.545 490 HB2 ARG 64 2HB ARG 64 2.250 -8.709 -9.416 491 HB3 ARG 64 3HB ARG 64 2.633 -7.370 -10.496 492 HG2 ARG 64 2HG ARG 64 4.633 -8.222 -8.402 493 HG3 ARG 64 3HG ARG 64 4.510 -9.121 -9.915 494 HD2 ARG 64 2HD ARG 64 5.028 -6.136 -9.673 495 HD3 ARG 64 3HD ARG 64 6.221 -7.358 -10.096 496 HE ARG 64 HE ARG 64 4.132 -7.664 -11.946 497 HH11 ARG 64 1HH2 ARG 64 6.353 -5.202 -10.920 498 HH12 ARG 64 2HH2 ARG 64 6.404 -4.436 -12.473 499 HH21 ARG 64 1HH1 ARG 64 4.202 -6.660 -13.957 500 HH22 ARG 64 2HH1 ARG 64 5.192 -5.256 -14.184 501 H GLU 65 H GLU 65 0.688 -7.147 -6.673 502 HA GLU 65 HA GLU 65 -1.634 -6.712 -8.385 503 HB2 GLU 65 2HB GLU 65 -1.370 -7.029 -5.374 504 HB3 GLU 65 3HB GLU 65 -2.904 -6.966 -6.242 505 HG2 GLU 65 2HG GLU 65 -0.721 -9.003 -6.771 506 HG3 GLU 65 3HG GLU 65 -2.150 -9.305 -5.785 507 H VAL 66 H VAL 66 -1.077 -4.576 -9.117 508 HA VAL 66 HA VAL 66 -1.818 -2.439 -7.147 509 HB VAL 66 HB VAL 66 0.226 -2.239 -9.376 510 HG11 VAL 66 1HG1 VAL 66 -0.930 -0.133 -9.058 511 HG12 VAL 66 2HG1 VAL 66 0.656 -0.008 -8.299 512 HG13 VAL 66 3HG1 VAL 66 -0.777 -0.269 -7.306 513 HG21 VAL 66 3HG2 VAL 66 0.507 -2.313 -6.356 514 HG22 VAL 66 1HG2 VAL 66 1.820 -1.944 -7.475 515 HG23 VAL 66 2HG2 VAL 66 1.076 -3.543 -7.486 516 H LYS 67 H LYS 67 -3.395 -1.135 -7.783 517 HA LYS 67 HA LYS 67 -4.194 -1.055 -10.667 518 HB2 LYS 67 2HB LYS 67 -6.017 -1.398 -8.264 519 HB3 LYS 67 3HB LYS 67 -6.573 -1.042 -9.901 520 HG2 LYS 67 2HG LYS 67 -5.517 -3.110 -10.723 521 HG3 LYS 67 3HG LYS 67 -4.944 -3.470 -9.095 522 HD2 LYS 67 2HD LYS 67 -7.271 -3.573 -8.288 523 HD3 LYS 67 3HD LYS 67 -7.854 -3.197 -9.910 524 HE2 LYS 67 2HE LYS 67 -6.789 -5.254 -10.770 525 HE3 LYS 67 3HE LYS 67 -6.210 -5.631 -9.149 526 HZ1 LYS 67 3HZ LYS 67 -8.962 -5.099 -9.030 527 HZ2 LYS 67 1HZ LYS 67 -8.154 -6.551 -8.689 528 HZ3 LYS 67 2HZ LYS 67 -8.692 -6.230 -10.269 529 H GLY 68 H GLY 68 -4.696 0.915 -11.392 530 HA2 GLY 68 2HA GLY 68 -4.399 3.217 -9.528 531 HA3 GLY 68 3HA GLY 68 -4.199 3.275 -11.276 532 H LYS 69 H LYS 69 -6.049 4.480 -9.049 533 HA LYS 69 HA LYS 69 -8.669 4.062 -10.425 534 HB2 LYS 69 2HB LYS 69 -7.929 5.125 -7.689 535 HB3 LYS 69 3HB LYS 69 -9.551 5.287 -8.367 536 HG2 LYS 69 2HG LYS 69 -9.690 2.841 -8.640 537 HG3 LYS 69 3HG LYS 69 -8.069 2.670 -7.971 538 HD2 LYS 69 2HD LYS 69 -8.820 3.656 -5.847 539 HD3 LYS 69 3HD LYS 69 -10.440 3.874 -6.511 540 HE2 LYS 69 2HE LYS 69 -9.070 1.179 -6.312 541 HE3 LYS 69 3HE LYS 69 -10.172 1.804 -5.084 542 HZ1 LYS 69 3HZ LYS 69 -11.450 0.485 -6.537 543 HZ2 LYS 69 1HZ LYS 69 -10.768 1.190 -7.921 544 HZ3 LYS 69 2HZ LYS 69 -11.815 2.095 -6.935 545 H PHE 70 H PHE 70 -9.140 5.512 -11.903 546 HA PHE 70 HA PHE 70 -8.030 8.288 -11.685 547 HB2 PHE 70 2HB PHE 70 -9.207 6.960 -14.143 548 HB3 PHE 70 3HB PHE 70 -8.242 8.433 -14.062 549 HD1 PHE 70 HD2 PHE 70 -8.146 4.748 -13.636 550 HD2 PHE 70 HD1 PHE 70 -5.855 8.366 -13.939 551 HE1 PHE 70 HE2 PHE 70 -6.067 3.412 -13.866 552 HE2 PHE 70 HE1 PHE 70 -3.776 7.033 -14.166 553 HZ PHE 70 HZ PHE 70 -3.883 4.556 -14.130 554 H ILE 71 H ILE 71 -9.360 9.969 -11.589 555 HA ILE 71 HA ILE 71 -12.320 9.502 -11.766 556 HB ILE 71 HB ILE 71 -10.773 11.390 -9.958 557 HG12 ILE 71 2HG1 ILE 71 -12.579 9.043 -9.294 558 HG13 ILE 71 3HG1 ILE 71 -10.819 8.939 -9.348 559 HG21 ILE 71 1HG2 ILE 71 -12.788 12.511 -10.580 560 HG22 ILE 71 2HG2 ILE 71 -13.133 11.768 -9.020 561 HG23 ILE 71 3HG2 ILE 71 -13.726 11.020 -10.502 562 HD11 ILE 71 3HD1 ILE 71 -11.342 9.326 -7.061 563 HD12 ILE 71 1HD1 ILE 71 -12.532 10.563 -7.463 564 HD13 ILE 71 2HD1 ILE 71 -10.812 10.891 -7.678 565 H ASN 72 H ASN 72 -13.315 10.662 -13.234 566 HA ASN 72 HA ASN 72 -13.771 12.202 -14.915 567 HB2 ASN 72 2HB ASN 72 -11.899 14.020 -13.384 568 HB3 ASN 72 3HB ASN 72 -13.173 14.501 -14.503 569 HD21 ASN 72 1HD2 ASN 72 -14.953 12.261 -13.346 570 HD22 ASN 72 2HD2 ASN 72 -15.523 12.907 -11.883 571 H GLY 73 H GLY 73 -11.499 10.369 -15.153 572 HA2 GLY 73 2HA GLY 73 -9.861 9.910 -16.756 573 HA3 GLY 73 3HA GLY 73 -10.365 11.378 -17.595 574 H ARG 74 H ARG 74 -9.418 11.532 -14.255 575 HA ARG 74 HA ARG 74 -6.766 12.614 -15.022 576 HB2 ARG 74 2HB ARG 74 -8.344 14.472 -14.751 577 HB3 ARG 74 3HB ARG 74 -8.616 13.966 -13.082 578 HG2 ARG 74 2HG ARG 74 -6.307 14.366 -12.507 579 HG3 ARG 74 3HG ARG 74 -5.874 14.628 -14.197 580 HD2 ARG 74 2HD ARG 74 -7.906 16.357 -12.766 581 HD3 ARG 74 3HD ARG 74 -6.184 16.739 -12.770 582 HE ARG 74 HE ARG 74 -7.108 16.295 -15.462 583 HH11 ARG 74 1HH2 ARG 74 -7.178 18.556 -12.822 584 HH12 ARG 74 2HH2 ARG 74 -7.399 19.931 -13.854 585 HH21 ARG 74 1HH1 ARG 74 -7.389 18.088 -16.788 586 HH22 ARG 74 2HH1 ARG 74 -7.509 19.668 -16.088 587 HA PRO 75 HA PRO 75 -5.609 9.475 -11.910 588 HB2 PRO 75 2HB PRO 75 -3.202 11.285 -11.974 589 HB3 PRO 75 3HB PRO 75 -3.273 9.510 -11.987 590 HG2 PRO 75 2HG PRO 75 -2.820 10.902 -14.218 591 HG3 PRO 75 3HG PRO 75 -3.793 9.419 -14.235 592 HD2 PRO 75 2HD PRO 75 -4.653 12.239 -14.533 593 HD3 PRO 75 3HD PRO 75 -5.441 10.745 -15.114 594 H THR 76 H THR 76 -6.795 9.904 -10.068 595 HA THR 76 HA THR 76 -6.026 12.290 -8.418 596 HB THR 76 HB THR 76 -8.521 10.603 -8.119 597 HG1 THR 76 HG1 THR 76 -8.155 11.726 -10.229 598 HG21 THR 76 3HG2 THR 76 -7.896 13.458 -7.330 599 HG22 THR 76 1HG2 THR 76 -7.742 12.081 -6.237 600 HG23 THR 76 2HG2 THR 76 -9.323 12.523 -6.883 601 H ALA 77 H ALA 77 -6.524 8.753 -8.316 602 HA ALA 77 HA ALA 77 -4.761 8.642 -5.948 603 HB1 ALA 77 3HB ALA 77 -6.475 7.243 -4.699 604 HB2 ALA 77 1HB ALA 77 -7.673 7.830 -5.858 605 HB3 ALA 77 2HB ALA 77 -6.830 8.966 -4.804 606 H ILE 78 H ILE 78 -4.159 6.474 -5.377 607 HA ILE 78 HA ILE 78 -4.496 4.479 -7.597 608 HB ILE 78 HB ILE 78 -2.037 5.066 -5.917 609 HG12 ILE 78 2HG1 ILE 78 -2.410 5.169 -8.923 610 HG13 ILE 78 3HG1 ILE 78 -2.597 6.583 -7.887 611 HG21 ILE 78 1HG2 ILE 78 -2.106 2.700 -6.209 612 HG22 ILE 78 2HG2 ILE 78 -1.033 3.293 -7.478 613 HG23 ILE 78 3HG2 ILE 78 -2.697 2.848 -7.865 614 HD11 ILE 78 3HD1 ILE 78 -0.103 4.903 -8.261 615 HD12 ILE 78 1HD1 ILE 78 -0.263 6.136 -7.011 616 HD13 ILE 78 2HD1 ILE 78 -0.329 6.592 -8.713 617 H GLU 79 H GLU 79 -4.582 2.308 -6.980 618 HA GLU 79 HA GLU 79 -4.954 1.753 -4.060 619 HB2 GLU 79 2HB GLU 79 -7.144 1.984 -5.288 620 HB3 GLU 79 3HB GLU 79 -6.665 0.607 -6.284 621 HG2 GLU 79 2HG GLU 79 -8.024 -0.248 -4.480 622 HG3 GLU 79 3HG GLU 79 -6.363 -0.720 -4.152 623 H ALA 80 H ALA 80 -4.367 -0.290 -3.386 624 HA ALA 80 HA ALA 80 -3.229 -2.208 -5.337 625 HB1 ALA 80 3HB ALA 80 -1.634 -1.138 -2.990 626 HB2 ALA 80 1HB ALA 80 -1.366 -0.687 -4.674 627 HB3 ALA 80 2HB ALA 80 -1.105 -2.352 -4.158 628 H THR 81 H THR 81 -3.009 -4.308 -4.493 629 HA THR 81 HA THR 81 -4.438 -4.802 -1.896 630 HB THR 81 HB THR 81 -4.467 -6.476 -4.426 631 HG1 THR 81 HG1 THR 81 -5.857 -4.847 -4.728 632 HG21 THR 81 3HG2 THR 81 -5.624 -6.861 -1.661 633 HG22 THR 81 1HG2 THR 81 -4.586 -7.962 -2.566 634 HG23 THR 81 2HG2 THR 81 -6.256 -7.710 -3.072 635 H VAL 82 H VAL 82 -3.414 -5.996 -0.448 636 HA VAL 82 HA VAL 82 -0.834 -7.317 -1.219 637 HB VAL 82 HB VAL 82 -1.800 -6.165 1.417 638 HG11 VAL 82 1HG1 VAL 82 0.568 -6.843 2.150 639 HG12 VAL 82 2HG1 VAL 82 0.587 -7.893 0.733 640 HG13 VAL 82 3HG1 VAL 82 -0.609 -8.148 2.003 641 HG21 VAL 82 3HG2 VAL 82 0.448 -5.492 -0.507 642 HG22 VAL 82 1HG2 VAL 82 0.290 -4.787 1.101 643 HG23 VAL 82 2HG2 VAL 82 -0.950 -4.489 -0.117 644 H ILE 83 H ILE 83 -0.689 -9.436 -1.024 645 HA ILE 83 HA ILE 83 -3.002 -11.000 -0.087 646 HB ILE 83 HB ILE 83 -0.378 -12.054 -1.183 647 HG12 ILE 83 2HG1 ILE 83 -1.166 -10.426 -2.794 648 HG13 ILE 83 3HG1 ILE 83 -1.586 -12.026 -3.404 649 HG21 ILE 83 1HG2 ILE 83 -1.882 -13.895 -1.959 650 HG22 ILE 83 2HG2 ILE 83 -3.222 -13.109 -1.123 651 HG23 ILE 83 3HG2 ILE 83 -1.854 -13.735 -0.202 652 HD11 ILE 83 3HD1 ILE 83 -3.864 -11.666 -2.215 653 HD12 ILE 83 1HD1 ILE 83 -3.567 -10.770 -3.702 654 HD13 ILE 83 2HD1 ILE 83 -3.397 -9.969 -2.142 655 H LEU 84 H LEU 84 -3.150 -11.816 1.865 656 HA LEU 84 HA LEU 84 -0.681 -12.162 3.548 657 HB2 LEU 84 2HB LEU 84 -3.520 -11.598 4.485 658 HB3 LEU 84 3HB LEU 84 -2.070 -11.679 5.485 659 HG LEU 84 HG LEU 84 -2.521 -9.666 3.260 660 HD11 LEU 84 1HD1 LEU 84 -2.815 -9.505 6.269 661 HD12 LEU 84 2HD1 LEU 84 -4.006 -9.087 5.038 662 HD13 LEU 84 3HD1 LEU 84 -2.584 -8.071 5.268 663 HD21 LEU 84 3HD2 LEU 84 -0.275 -10.204 5.211 664 HD22 LEU 84 1HD2 LEU 84 -0.527 -8.586 4.560 665 HD23 LEU 84 2HD2 LEU 84 -0.184 -9.924 3.472 666 H ASN 85 H ASN 85 -1.615 -14.158 1.762 667 HA ASN 85 HA ASN 85 -3.374 -16.064 2.952 668 HB2 ASN 85 2HB ASN 85 -1.093 -16.417 0.972 669 HB3 ASN 85 3HB ASN 85 -2.226 -17.699 1.405 670 HD21 ASN 85 1HD2 ASN 85 -3.935 -14.823 1.590 671 HD22 ASN 85 2HD2 ASN 85 -4.605 -14.806 0.030 672 H SER 86 H SER 86 0.149 -15.634 3.177 673 HA SER 86 HA SER 86 0.486 -18.002 4.864 674 HB2 SER 86 2HB SER 86 2.567 -15.840 4.612 675 HB3 SER 86 3HB SER 86 2.775 -17.585 4.713 676 HG SER 86 HG SER 86 2.191 -15.972 2.537 677 H GLN 87 H GLN 87 1.139 -17.964 7.044 678 HA GLN 87 HA GLN 87 -0.262 -16.041 8.662 679 HB2 GLN 87 2HB GLN 87 0.922 -18.618 9.030 680 HB3 GLN 87 3HB GLN 87 1.683 -17.564 10.219 681 HG2 GLN 87 2HG GLN 87 -0.587 -16.783 10.914 682 HG3 GLN 87 3HG GLN 87 -1.291 -17.975 9.820 683 HE21 GLN 87 1HE2 GLN 87 -2.151 -18.625 12.163 684 HE22 GLN 87 2HE2 GLN 87 -1.221 -19.793 12.969 685 HA PRO 88 HA PRO 88 4.369 -14.764 9.842 686 HB2 PRO 88 2HB PRO 88 5.411 -15.050 7.035 687 HB3 PRO 88 3HB PRO 88 6.258 -15.286 8.579 688 HG2 PRO 88 2HG PRO 88 5.486 -17.368 7.134 689 HG3 PRO 88 3HG PRO 88 5.334 -17.393 8.905 690 HD2 PRO 88 2HD PRO 88 3.201 -17.005 6.844 691 HD3 PRO 88 3HD PRO 88 3.116 -17.860 8.392 692 H GLU 89 H GLU 89 2.884 -14.190 6.689 693 HA GLU 89 HA GLU 89 3.740 -11.485 6.315 694 HB2 GLU 89 2HB GLU 89 1.304 -13.001 5.315 695 HB3 GLU 89 3HB GLU 89 1.716 -11.371 4.782 696 HG2 GLU 89 2HG GLU 89 3.579 -13.750 4.556 697 HG3 GLU 89 3HG GLU 89 2.562 -13.164 3.240 698 H TRP 90 H TRP 90 0.886 -12.899 7.888 699 HA TRP 90 HA TRP 90 -0.459 -10.430 8.430 700 HB2 TRP 90 2HB TRP 90 -0.570 -13.210 9.600 701 HB3 TRP 90 3HB TRP 90 -1.432 -11.903 10.414 702 HD1 TRP 90 HD1 TRP 90 -1.714 -14.269 7.570 703 HE1 TRP 90 HE1 TRP 90 -3.816 -13.734 6.178 704 HE3 TRP 90 HE3 TRP 90 -2.927 -9.708 9.523 705 HZ2 TRP 90 HZ2 TRP 90 -5.755 -11.644 5.925 706 HZ3 TRP 90 HZ3 TRP 90 -4.905 -8.468 8.686 707 HH2 TRP 90 HH2 TRP 90 -6.320 -9.427 6.891 708 H ASP 91 H ASP 91 1.903 -12.312 10.296 709 HA ASP 91 HA ASP 91 1.861 -10.769 12.680 710 HB2 ASP 91 2HB ASP 91 3.053 -12.962 12.394 711 HB3 ASP 91 3HB ASP 91 4.265 -12.139 11.412 712 H ARG 92 H ARG 92 3.782 -10.438 9.720 713 HA ARG 92 HA ARG 92 5.303 -8.156 10.557 714 HB2 ARG 92 2HB ARG 92 4.555 -9.236 7.821 715 HB3 ARG 92 3HB ARG 92 5.640 -7.862 8.051 716 HG2 ARG 92 2HG ARG 92 7.171 -9.236 9.359 717 HG3 ARG 92 3HG ARG 92 6.063 -10.604 9.273 718 HD2 ARG 92 2HD ARG 92 7.835 -10.887 7.608 719 HD3 ARG 92 3HD ARG 92 6.298 -10.600 6.789 720 HE ARG 92 HE ARG 92 7.672 -8.107 7.214 721 HH11 ARG 92 1HH2 ARG 92 7.708 -11.014 5.313 722 HH12 ARG 92 2HH2 ARG 92 8.448 -10.247 3.947 723 HH21 ARG 92 1HH1 ARG 92 8.640 -7.130 5.440 724 HH22 ARG 92 2HH1 ARG 92 8.980 -8.065 4.023 725 H PHE 93 H PHE 93 2.203 -8.533 8.891 726 HA PHE 93 HA PHE 93 1.797 -5.813 8.155 727 HB2 PHE 93 2HB PHE 93 0.415 -7.691 7.307 728 HB3 PHE 93 3HB PHE 93 -0.291 -7.890 8.913 729 HD1 PHE 93 HD2 PHE 93 -1.790 -6.188 9.852 730 HD2 PHE 93 HD1 PHE 93 -0.149 -5.787 5.902 731 HE1 PHE 93 HE2 PHE 93 -3.438 -4.407 9.349 732 HE2 PHE 93 HE1 PHE 93 -1.803 -4.006 5.401 733 HZ PHE 93 HZ PHE 93 -3.444 -3.315 7.123 734 H MET 94 H MET 94 0.804 -7.606 11.073 735 HA MET 94 HA MET 94 -0.532 -5.435 12.363 736 HB2 MET 94 2HB MET 94 0.920 -7.830 13.561 737 HB3 MET 94 3HB MET 94 -0.183 -6.777 14.443 738 HG2 MET 94 2HG MET 94 -0.936 -8.372 11.976 739 HG3 MET 94 3HG MET 94 -1.298 -8.859 13.628 740 HE1 MET 94 3HE MET 94 -2.253 -5.863 15.040 741 HE2 MET 94 1HE MET 94 -2.366 -7.614 15.250 742 HE3 MET 94 2HE MET 94 -3.822 -6.661 15.002 743 H ARG 95 H ARG 95 2.821 -6.590 12.531 744 HA ARG 95 HA ARG 95 3.719 -4.654 14.455 745 HB2 ARG 95 2HB ARG 95 5.174 -6.307 12.370 746 HB3 ARG 95 3HB ARG 95 6.012 -5.252 13.510 747 HG2 ARG 95 2HG ARG 95 5.060 -6.477 15.400 748 HG3 ARG 95 3HG ARG 95 4.116 -7.485 14.304 749 HD2 ARG 95 2HD ARG 95 6.125 -8.697 15.007 750 HD3 ARG 95 3HD ARG 95 6.232 -8.313 13.290 751 HE ARG 95 HE ARG 95 7.984 -6.772 13.765 752 HH11 ARG 95 1HH2 ARG 95 6.489 -8.023 16.640 753 HH12 ARG 95 2HH2 ARG 95 7.727 -7.410 17.687 754 HH21 ARG 95 1HH1 ARG 95 9.582 -5.988 15.131 755 HH22 ARG 95 2HH1 ARG 95 9.468 -6.265 16.837 756 H PHE 96 H PHE 96 3.703 -4.744 10.914 757 HA PHE 96 HA PHE 96 5.112 -2.295 10.480 758 HB2 PHE 96 2HB PHE 96 4.763 -3.916 8.672 759 HB3 PHE 96 3HB PHE 96 3.018 -3.671 8.758 760 HD1 PHE 96 HD2 PHE 96 6.218 -1.770 8.290 761 HD2 PHE 96 HD1 PHE 96 2.018 -2.017 7.420 762 HE1 PHE 96 HE2 PHE 96 6.421 0.167 6.753 763 HE2 PHE 96 HE1 PHE 96 2.222 -0.079 5.886 764 HZ PHE 96 HZ PHE 96 4.424 1.010 5.553 765 H MET 97 H MET 97 1.650 -3.037 10.733 766 HA MET 97 HA MET 97 0.668 -0.412 10.238 767 HB2 MET 97 2HB MET 97 -0.756 -2.450 10.250 768 HB3 MET 97 3HB MET 97 -0.540 -2.582 11.997 769 HG2 MET 97 2HG MET 97 -1.615 -0.424 12.337 770 HG3 MET 97 3HG MET 97 -1.723 -0.174 10.596 771 HE1 MET 97 3HE MET 97 -4.133 0.328 10.646 772 HE2 MET 97 1HE MET 97 -5.247 -0.976 10.209 773 HE3 MET 97 2HE MET 97 -3.775 -0.720 9.276 774 H GLU 98 H GLU 98 1.614 -2.047 13.235 775 HA GLU 98 HA GLU 98 0.864 0.078 15.013 776 HB2 GLU 98 2HB GLU 98 1.394 -2.361 15.612 777 HB3 GLU 98 3HB GLU 98 3.099 -1.927 15.476 778 HG2 GLU 98 2HG GLU 98 1.161 -0.420 17.252 779 HG3 GLU 98 3HG GLU 98 2.112 -1.788 17.824 780 H ARG 99 H ARG 99 3.965 -0.843 13.532 781 HA ARG 99 HA ARG 99 5.484 1.302 14.666 782 HB2 ARG 99 2HB ARG 99 6.419 -0.812 13.623 783 HB3 ARG 99 3HB ARG 99 6.009 -0.143 12.046 784 HG2 ARG 99 2HG ARG 99 8.225 0.571 12.250 785 HG3 ARG 99 3HG ARG 99 7.378 1.964 12.913 786 HD2 ARG 99 2HD ARG 99 7.690 1.074 15.201 787 HD3 ARG 99 3HD ARG 99 8.526 -0.324 14.535 788 HE ARG 99 HE ARG 99 10.428 1.034 14.159 789 HH11 ARG 99 1HH2 ARG 99 7.634 2.908 15.026 790 HH12 ARG 99 2HH2 ARG 99 8.538 4.374 15.222 791 HH21 ARG 99 1HH1 ARG 99 11.588 2.930 14.430 792 HH22 ARG 99 2HH1 ARG 99 10.767 4.385 14.889 793 H TYR 100 H TYR 100 3.851 0.908 11.544 794 HA TYR 100 HA TYR 100 4.626 3.406 10.404 795 HB2 TYR 100 2HB TYR 100 3.671 1.613 9.039 796 HB3 TYR 100 3HB TYR 100 2.147 1.714 9.922 797 HD1 TYR 100 HD1 TYR 100 4.517 3.810 7.918 798 HD2 TYR 100 HD2 TYR 100 0.453 3.157 9.152 799 HE1 TYR 100 HE1 TYR 100 3.763 5.604 6.383 800 HE2 TYR 100 HE2 TYR 100 -0.297 4.949 7.615 801 HH TYR 100 HH TYR 100 0.653 6.956 6.526 802 H GLY 101 H GLY 101 1.736 2.457 12.241 803 HA2 GLY 101 2HA GLY 101 0.435 5.004 12.163 804 HA3 GLY 101 3HA GLY 101 0.121 3.734 13.347 805 H ALA 102 H ALA 102 2.839 3.588 14.309 806 HA ALA 102 HA ALA 102 2.733 5.505 16.420 807 HB1 ALA 102 3HB ALA 102 3.959 3.314 16.503 808 HB2 ALA 102 1HB ALA 102 4.945 4.676 17.027 809 HB3 ALA 102 2HB ALA 102 5.173 3.993 15.416 810 H GLU 103 H GLU 103 4.517 5.429 13.363 811 HA GLU 103 HA GLU 103 6.072 7.810 13.845 812 HB2 GLU 103 2HB GLU 103 5.277 6.385 11.284 813 HB3 GLU 103 3HB GLU 103 6.387 7.757 11.336 814 HG2 GLU 103 2HG GLU 103 7.887 6.517 12.832 815 HG3 GLU 103 3HG GLU 103 6.770 5.155 12.852 816 H ASN 104 H ASN 104 2.930 7.172 12.352 817 HA ASN 104 HA ASN 104 2.217 10.020 12.663 818 HB2 ASN 104 2HB ASN 104 1.497 10.244 10.315 819 HB3 ASN 104 3HB ASN 104 3.231 9.951 10.425 820 HD21 ASN 104 1HD2 ASN 104 2.039 9.340 8.005 821 HD22 ASN 104 2HD2 ASN 104 1.919 7.656 7.807 822 H GLY 105 H GLY 105 0.671 9.322 14.116 823 HA2 GLY 105 2HA GLY 105 -1.201 7.201 13.701 824 HA3 GLY 105 3HA GLY 105 -1.395 8.520 14.852 825 H LEU 106 H LEU 106 -2.245 7.301 11.764 826 HA LEU 106 HA LEU 106 -3.466 9.735 10.729 827 HB2 LEU 106 2HB LEU 106 -3.979 6.879 9.845 828 HB3 LEU 106 3HB LEU 106 -4.222 8.356 8.911 829 HG LEU 106 HG LEU 106 -1.556 7.297 9.888 830 HD11 LEU 106 1HD1 LEU 106 -1.136 7.118 7.401 831 HD12 LEU 106 2HD1 LEU 106 -2.852 7.439 7.155 832 HD13 LEU 106 3HD1 LEU 106 -2.343 5.991 8.022 833 HD21 LEU 106 3HD2 LEU 106 -2.387 9.841 8.489 834 HD22 LEU 106 1HD2 LEU 106 -0.763 9.185 8.282 835 HD23 LEU 106 2HD2 LEU 106 -1.324 9.644 9.884 836 H GLY 107 H GLY 107 -5.646 10.180 10.585 837 HA2 GLY 107 2HA GLY 107 -7.269 9.373 12.836 838 HA3 GLY 107 3HA GLY 107 -7.781 10.421 11.514 839 H PHE 108 H PHE 108 -6.483 7.672 10.189 840 HA PHE 108 HA PHE 108 -9.106 6.217 10.168 841 HB2 PHE 108 2HB PHE 108 -7.361 6.817 7.754 842 HB3 PHE 108 3HB PHE 108 -8.830 5.839 7.754 843 HD1 PHE 108 HD1 PHE 108 -11.032 6.859 8.209 844 HD2 PHE 108 HD2 PHE 108 -7.467 9.234 7.878 845 HE1 PHE 108 HE1 PHE 108 -12.416 8.898 7.938 846 HE2 PHE 108 HE2 PHE 108 -8.852 11.274 7.606 847 HZ PHE 108 HZ PHE 108 -11.326 11.106 7.636 848 H SER 109 H SER 109 -7.455 4.716 7.935 849 HA SER 109 HA SER 109 -6.089 2.829 7.789 850 HB2 SER 109 2HB SER 109 -4.244 2.659 9.190 851 HB3 SER 109 3HB SER 109 -4.647 4.361 9.395 852 HG SER 109 HG SER 109 -5.378 3.960 11.360 853 H LYS 110 H LYS 110 -7.167 3.097 11.184 854 HA LYS 110 HA LYS 110 -8.565 0.456 10.872 855 HB2 LYS 110 2HB LYS 110 -7.900 -0.106 13.141 856 HB3 LYS 110 3HB LYS 110 -6.463 0.236 12.185 857 HG2 LYS 110 2HG LYS 110 -6.602 2.629 13.094 858 HG3 LYS 110 3HG LYS 110 -7.796 2.019 14.237 859 HD2 LYS 110 2HD LYS 110 -5.025 0.836 13.915 860 HD3 LYS 110 3HD LYS 110 -5.437 2.041 15.133 861 HE2 LYS 110 2HE LYS 110 -7.289 0.445 15.884 862 HE3 LYS 110 3HE LYS 110 -6.517 -0.770 14.867 863 HZ1 LYS 110 3HZ LYS 110 -5.872 -0.401 17.395 864 HZ2 LYS 110 1HZ LYS 110 -4.789 0.696 16.688 865 HZ3 LYS 110 2HZ LYS 110 -4.756 -0.941 16.234 866 H SER 111 H SER 111 -8.397 3.574 12.543 867 HA SER 111 HA SER 111 -10.915 3.248 13.941 868 HB2 SER 111 2HB SER 111 -10.632 5.575 14.568 869 HB3 SER 111 3HB SER 111 -9.068 4.777 14.681 870 HG SER 111 HG SER 111 -9.323 5.652 12.205 871 H GLU 112 H GLU 112 -12.760 4.688 13.572 872 HA GLU 112 HA GLU 112 -14.468 5.584 12.265 873 HB2 GLU 112 2HB GLU 112 -12.497 7.033 11.448 874 HB3 GLU 112 3HB GLU 112 -12.455 5.968 10.044 875 HG2 GLU 112 2HG GLU 112 -13.856 7.806 9.438 876 HG3 GLU 112 3HG GLU 112 -14.928 6.439 9.741 877 H LEU 113 H LEU 113 -12.252 3.803 10.089 878 HA LEU 113 HA LEU 113 -14.310 2.716 8.446 879 HB2 LEU 113 2HB LEU 113 -11.487 1.751 9.015 880 HB3 LEU 113 3HB LEU 113 -12.525 1.042 7.786 881 HG LEU 113 HG LEU 113 -11.843 3.996 7.872 882 HD11 LEU 113 1HD1 LEU 113 -9.789 2.652 7.571 883 HD12 LEU 113 2HD1 LEU 113 -10.213 3.505 6.085 884 HD13 LEU 113 3HD1 LEU 113 -10.557 1.783 6.242 885 HD21 LEU 113 3HD2 LEU 113 -13.743 3.764 6.514 886 HD22 LEU 113 1HD2 LEU 113 -13.280 2.161 5.945 887 HD23 LEU 113 2HD2 LEU 113 -12.454 3.590 5.337 888 H GLU 114 H GLU 114 -12.631 1.411 11.281 889 HA GLU 114 HA GLU 114 -14.208 -1.062 11.217 890 HB2 GLU 114 2HB GLU 114 -12.242 0.023 13.261 891 HB3 GLU 114 3HB GLU 114 -12.985 -1.576 13.329 892 HG2 GLU 114 2HG GLU 114 -11.326 -0.572 11.001 893 HG3 GLU 114 3HG GLU 114 -10.701 -1.595 12.295 894 H HIS 115 H HIS 115 -15.482 -1.738 13.062 895 HA HIS 115 HA HIS 115 -17.481 0.186 13.777 896 HB2 HIS 115 2HB HIS 115 -16.868 -2.611 14.766 897 HB3 HIS 115 3HB HIS 115 -18.234 -1.673 15.368 898 HD1 HIS 115 HD1 HIS 115 -16.928 -3.317 12.228 899 HD2 HIS 115 HD2 HIS 115 -20.391 -1.424 13.569 900 HE1 HIS 115 HE1 HIS 115 -18.696 -3.721 10.460 901 H HIS 116 H HIS 116 -17.567 1.557 15.424 902 HA HIS 116 HA HIS 116 -15.346 1.648 17.367 903 HB2 HIS 116 2HB HIS 116 -16.096 3.729 16.261 904 HB3 HIS 116 3HB HIS 116 -17.699 3.532 16.971 905 HD1 HIS 116 HD1 HIS 116 -14.072 3.945 18.061 906 HD2 HIS 116 HD2 HIS 116 -17.919 4.565 19.544 907 HE1 HIS 116 HE1 HIS 116 -13.801 5.130 20.284 908 H HIS 117 H HIS 117 -15.477 0.754 19.287 909 HA HIS 117 HA HIS 117 -18.167 0.157 20.481 910 HB2 HIS 117 2HB HIS 117 -15.507 -1.258 20.852 911 HB3 HIS 117 3HB HIS 117 -16.992 -1.645 21.723 912 HD1 HIS 117 HD1 HIS 117 -19.109 -2.267 20.088 913 HD2 HIS 117 HD2 HIS 117 -15.300 -2.573 18.417 914 HE1 HIS 117 HE1 HIS 117 -19.348 -3.702 18.015 915 H HIS 118 H HIS 118 -18.638 1.001 22.401 916 HA HIS 118 HA HIS 118 -16.935 3.013 23.577 917 HB2 HIS 118 2HB HIS 118 -18.714 3.352 25.159 918 HB3 HIS 118 3HB HIS 118 -19.464 3.039 23.596 919 HD1 HIS 118 HD1 HIS 118 -19.595 1.985 27.040 920 HD2 HIS 118 HD2 HIS 118 -20.203 0.104 23.370 921 HE1 HIS 118 HE1 HIS 118 -20.897 -0.132 27.528 922 H HIS 119 H HIS 119 -15.579 2.878 25.244 923 HA HIS 119 HA HIS 119 -14.689 0.283 26.165 924 HB2 HIS 119 2HB HIS 119 -13.206 2.314 25.861 925 HB3 HIS 119 3HB HIS 119 -13.952 2.999 27.304 926 HD1 HIS 119 HD1 HIS 119 -13.141 2.157 29.549 927 HD2 HIS 119 HD2 HIS 119 -11.722 -0.159 26.385 928 HE1 HIS 119 HE1 HIS 119 -11.434 0.566 30.534 929 H HIS 120 H HIS 120 -14.826 -0.565 28.219 930 HA HIS 120 HA HIS 120 -16.081 -1.242 30.072 931 HB2 HIS 120 2HB HIS 120 -16.032 0.371 31.867 932 HB3 HIS 120 3HB HIS 120 -14.557 0.565 30.924 933 HD1 HIS 120 HD1 HIS 120 -14.411 2.674 29.348 934 HD2 HIS 120 HD2 HIS 120 -17.778 2.581 31.805 935 HE1 HIS 120 HE1 HIS 120 -15.421 4.996 29.267 Start of MODEL 19 1 H1 MET 1 1H MET 1 11.697 2.850 9.810 2 H2 MET 1 2H MET 1 13.097 3.773 9.538 3 H3 MET 1 3H MET 1 12.168 3.224 8.225 4 HA MET 1 HA MET 1 11.237 5.157 10.279 5 HB2 MET 1 2HB MET 1 11.278 6.686 8.188 6 HB3 MET 1 3HB MET 1 12.823 6.320 8.955 7 HG2 MET 1 2HG MET 1 11.761 4.617 6.700 8 HG3 MET 1 3HG MET 1 12.686 6.085 6.385 9 HE1 MET 1 3HE MET 1 16.185 5.463 7.360 10 HE2 MET 1 1HE MET 1 14.908 6.580 7.859 11 HE3 MET 1 2HE MET 1 15.091 6.147 6.161 12 H ALA 2 H ALA 2 10.389 2.593 8.556 13 HA ALA 2 HA ALA 2 8.448 1.808 7.521 14 HB1 ALA 2 3HB ALA 2 7.622 2.297 9.808 15 HB2 ALA 2 1HB ALA 2 6.372 2.501 8.582 16 HB3 ALA 2 2HB ALA 2 7.168 3.915 9.275 17 H GLU 3 H GLU 3 8.599 2.359 5.392 18 HA GLU 3 HA GLU 3 7.028 4.718 4.537 19 HB2 GLU 3 2HB GLU 3 8.798 5.515 3.041 20 HB3 GLU 3 3HB GLU 3 9.341 5.550 4.718 21 HG2 GLU 3 2HG GLU 3 10.476 3.359 4.367 22 HG3 GLU 3 3HG GLU 3 9.990 3.399 2.673 23 H ILE 4 H ILE 4 6.445 4.659 2.319 24 HA ILE 4 HA ILE 4 6.439 1.897 1.160 25 HB ILE 4 HB ILE 4 4.503 4.200 0.735 26 HG12 ILE 4 2HG1 ILE 4 4.050 1.519 2.076 27 HG13 ILE 4 3HG1 ILE 4 4.445 2.983 2.975 28 HG21 ILE 4 1HG2 ILE 4 3.204 2.218 -0.362 29 HG22 ILE 4 2HG2 ILE 4 4.781 1.443 -0.467 30 HG23 ILE 4 3HG2 ILE 4 4.500 2.980 -1.282 31 HD11 ILE 4 3HD1 ILE 4 2.008 2.647 2.910 32 HD12 ILE 4 1HD1 ILE 4 2.049 2.614 1.146 33 HD13 ILE 4 2HD1 ILE 4 2.451 4.097 2.011 34 H GLN 5 H GLN 5 7.385 1.594 -0.743 35 HA GLN 5 HA GLN 5 8.096 3.970 -2.432 36 HB2 GLN 5 2HB GLN 5 9.839 1.579 -1.757 37 HB3 GLN 5 3HB GLN 5 10.228 2.794 -2.975 38 HG2 GLN 5 2HG GLN 5 10.167 4.556 -1.261 39 HG3 GLN 5 3HG GLN 5 9.757 3.359 -0.034 40 HE21 GLN 5 1HE2 GLN 5 11.933 4.401 0.830 41 HE22 GLN 5 2HE2 GLN 5 13.362 3.611 0.371 42 H PHE 6 H PHE 6 7.624 3.752 -4.517 43 HA PHE 6 HA PHE 6 6.352 1.235 -5.445 44 HB2 PHE 6 2HB PHE 6 6.495 4.053 -6.557 45 HB3 PHE 6 3HB PHE 6 5.835 2.705 -7.486 46 HD1 PHE 6 HD1 PHE 6 3.868 1.424 -6.598 47 HD2 PHE 6 HD2 PHE 6 5.245 5.068 -4.787 48 HE1 PHE 6 HE1 PHE 6 1.704 1.651 -5.411 49 HE2 PHE 6 HE2 PHE 6 3.079 5.294 -3.599 50 HZ PHE 6 HZ PHE 6 1.310 3.585 -3.912 51 H SER 7 H SER 7 8.421 3.615 -7.105 52 HA SER 7 HA SER 7 9.897 1.343 -8.380 53 HB2 SER 7 2HB SER 7 9.413 4.203 -9.248 54 HB3 SER 7 3HB SER 7 10.561 3.135 -10.052 55 HG SER 7 HG SER 7 8.394 3.144 -10.952 56 H LYS 8 H LYS 8 11.867 0.981 -7.714 57 HA LYS 8 HA LYS 8 13.843 1.191 -6.473 58 HB2 LYS 8 2HB LYS 8 13.868 3.678 -8.185 59 HB3 LYS 8 3HB LYS 8 15.274 3.051 -7.324 60 HG2 LYS 8 2HG LYS 8 14.973 0.875 -8.535 61 HG3 LYS 8 3HG LYS 8 13.700 1.627 -9.489 62 HD2 LYS 8 2HD LYS 8 16.580 2.577 -9.330 63 HD3 LYS 8 3HD LYS 8 15.866 1.700 -10.682 64 HE2 LYS 8 2HE LYS 8 15.329 4.516 -9.768 65 HE3 LYS 8 3HE LYS 8 15.700 3.931 -11.387 66 HZ1 LYS 8 3HZ LYS 8 13.479 2.619 -11.009 67 HZ2 LYS 8 1HZ LYS 8 13.466 4.217 -11.575 68 HZ3 LYS 8 2HZ LYS 8 13.160 3.894 -9.934 69 H GLY 9 H GLY 9 15.269 3.266 -5.521 70 HA2 GLY 9 2HA GLY 9 13.876 3.920 -3.085 71 HA3 GLY 9 3HA GLY 9 15.472 4.511 -3.550 72 H VAL 10 H VAL 10 12.033 5.056 -3.837 73 HA VAL 10 HA VAL 10 12.574 7.879 -4.708 74 HB VAL 10 HB VAL 10 10.279 6.025 -5.387 75 HG11 VAL 10 1HG1 VAL 10 10.567 9.024 -5.651 76 HG12 VAL 10 2HG1 VAL 10 9.232 8.118 -4.942 77 HG13 VAL 10 3HG1 VAL 10 9.481 8.099 -6.688 78 HG21 VAL 10 3HG2 VAL 10 11.031 6.303 -7.639 79 HG22 VAL 10 1HG2 VAL 10 12.488 6.004 -6.690 80 HG23 VAL 10 2HG2 VAL 10 12.086 7.645 -7.194 81 H ALA 11 H ALA 11 11.836 9.420 -3.428 82 HA ALA 11 HA ALA 11 10.911 8.938 -0.796 83 HB1 ALA 11 3HB ALA 11 10.523 11.460 -2.437 84 HB2 ALA 11 1HB ALA 11 12.005 11.047 -1.573 85 HB3 ALA 11 2HB ALA 11 10.515 11.340 -0.676 86 H GLU 12 H GLU 12 8.901 8.982 0.131 87 HA GLU 12 HA GLU 12 6.519 9.279 -1.649 88 HB2 GLU 12 2HB GLU 12 7.133 6.844 -1.391 89 HB3 GLU 12 3HB GLU 12 6.889 7.021 0.346 90 HG2 GLU 12 2HG GLU 12 4.835 6.161 -0.580 91 HG3 GLU 12 3HG GLU 12 4.550 7.846 -0.155 92 H THR 13 H THR 13 6.862 8.185 1.705 93 HA THR 13 HA THR 13 5.660 8.914 3.604 94 HB THR 13 HB THR 13 6.420 11.146 4.326 95 HG1 THR 13 HG1 THR 13 7.147 11.293 1.609 96 HG21 THR 13 3HG2 THR 13 8.676 9.734 2.889 97 HG22 THR 13 1HG2 THR 13 7.928 9.092 4.353 98 HG23 THR 13 2HG2 THR 13 8.756 10.649 4.393 99 H VAL 14 H VAL 14 4.115 9.058 1.110 100 HA VAL 14 HA VAL 14 2.608 11.517 0.998 101 HB VAL 14 HB VAL 14 2.048 8.715 -0.018 102 HG11 VAL 14 1HG1 VAL 14 0.324 9.972 -1.458 103 HG12 VAL 14 2HG1 VAL 14 0.454 11.270 -0.272 104 HG13 VAL 14 3HG1 VAL 14 -0.115 9.677 0.225 105 HG21 VAL 14 3HG2 VAL 14 2.829 11.291 -1.417 106 HG22 VAL 14 1HG2 VAL 14 2.618 9.716 -2.184 107 HG23 VAL 14 2HG2 VAL 14 3.936 9.971 -1.038 108 H VAL 15 H VAL 15 2.506 8.765 3.051 109 HA VAL 15 HA VAL 15 1.173 8.235 4.889 110 HB VAL 15 HB VAL 15 -0.127 10.945 4.597 111 HG11 VAL 15 1HG1 VAL 15 0.639 9.296 7.021 112 HG12 VAL 15 2HG1 VAL 15 -0.968 9.306 6.296 113 HG13 VAL 15 3HG1 VAL 15 -0.315 10.778 7.012 114 HG21 VAL 15 3HG2 VAL 15 2.636 10.222 5.603 115 HG22 VAL 15 1HG2 VAL 15 1.796 11.675 6.150 116 HG23 VAL 15 2HG2 VAL 15 2.191 11.475 4.445 117 HA PRO 16 HA PRO 16 -2.350 7.710 1.748 118 HB2 PRO 16 2HB PRO 16 -1.923 5.024 1.257 119 HB3 PRO 16 3HB PRO 16 -1.227 6.331 0.279 120 HG2 PRO 16 2HG PRO 16 0.030 4.743 2.479 121 HG3 PRO 16 3HG PRO 16 0.717 5.264 0.933 122 HD2 PRO 16 2HD PRO 16 1.282 6.561 3.243 123 HD3 PRO 16 3HD PRO 16 1.164 7.420 1.696 124 H GLU 17 H GLU 17 -4.323 6.701 2.220 125 HA GLU 17 HA GLU 17 -4.784 6.070 5.003 126 HB2 GLU 17 2HB GLU 17 -6.553 5.867 2.554 127 HB3 GLU 17 3HB GLU 17 -7.119 5.538 4.190 128 HG2 GLU 17 2HG GLU 17 -6.511 7.804 4.889 129 HG3 GLU 17 3HG GLU 17 -5.851 8.144 3.290 130 H VAL 18 H VAL 18 -4.832 4.161 5.996 131 HA VAL 18 HA VAL 18 -4.358 1.696 4.370 132 HB VAL 18 HB VAL 18 -3.939 2.110 7.348 133 HG11 VAL 18 1HG1 VAL 18 -4.179 -0.217 6.798 134 HG12 VAL 18 2HG1 VAL 18 -2.449 0.084 6.971 135 HG13 VAL 18 3HG1 VAL 18 -3.165 -0.044 5.366 136 HG21 VAL 18 3HG2 VAL 18 -2.118 2.510 4.969 137 HG22 VAL 18 1HG2 VAL 18 -1.463 2.091 6.551 138 HG23 VAL 18 2HG2 VAL 18 -2.380 3.581 6.343 139 H ARG 19 H ARG 19 -5.905 0.228 4.249 140 HA ARG 19 HA ARG 19 -8.045 0.136 6.337 141 HB2 ARG 19 2HB ARG 19 -8.869 1.373 4.339 142 HB3 ARG 19 3HB ARG 19 -8.512 -0.043 3.347 143 HG2 ARG 19 2HG ARG 19 -10.052 -1.401 4.721 144 HG3 ARG 19 3HG ARG 19 -10.404 0.011 5.718 145 HD2 ARG 19 2HD ARG 19 -10.891 -0.122 2.728 146 HD3 ARG 19 3HD ARG 19 -12.130 -0.420 3.947 147 HE ARG 19 HE ARG 19 -10.938 2.089 4.530 148 HH11 ARG 19 1HH2 ARG 19 -12.842 0.541 2.074 149 HH12 ARG 19 2HH2 ARG 19 -13.644 2.006 1.610 150 HH21 ARG 19 1HH1 ARG 19 -11.976 3.979 3.917 151 HH22 ARG 19 2HH1 ARG 19 -13.152 3.943 2.647 152 H LEU 20 H LEU 20 -8.586 -1.868 6.955 153 HA LEU 20 HA LEU 20 -7.233 -4.177 5.628 154 HB2 LEU 20 2HB LEU 20 -8.475 -4.068 8.394 155 HB3 LEU 20 3HB LEU 20 -7.428 -5.327 7.749 156 HG LEU 20 HG LEU 20 -6.053 -3.939 9.154 157 HD11 LEU 20 1HD1 LEU 20 -5.249 -4.606 6.777 158 HD12 LEU 20 2HD1 LEU 20 -4.326 -3.380 7.645 159 HD13 LEU 20 3HD1 LEU 20 -5.461 -2.899 6.385 160 HD21 LEU 20 3HD2 LEU 20 -7.808 -1.883 8.608 161 HD22 LEU 20 1HD2 LEU 20 -6.418 -1.406 7.632 162 HD23 LEU 20 2HD2 LEU 20 -6.234 -1.668 9.361 163 H SER 21 H SER 21 -8.410 -5.516 4.485 164 HA SER 21 HA SER 21 -11.324 -5.839 5.106 165 HB2 SER 21 2HB SER 21 -10.053 -5.450 2.386 166 HB3 SER 21 3HB SER 21 -11.708 -5.998 2.630 167 HG SER 21 HG SER 21 -10.552 -3.563 3.528 168 H LYS 22 H LYS 22 -12.194 -7.870 4.528 169 HA LYS 22 HA LYS 22 -10.157 -10.052 4.324 170 HB2 LYS 22 2HB LYS 22 -13.052 -10.227 5.210 171 HB3 LYS 22 3HB LYS 22 -11.829 -11.489 5.332 172 HG2 LYS 22 2HG LYS 22 -11.667 -8.799 6.720 173 HG3 LYS 22 3HG LYS 22 -12.178 -10.298 7.495 174 HD2 LYS 22 2HD LYS 22 -9.906 -11.254 6.659 175 HD3 LYS 22 3HD LYS 22 -9.449 -9.566 6.432 176 HE2 LYS 22 2HE LYS 22 -10.462 -10.736 9.035 177 HE3 LYS 22 3HE LYS 22 -8.768 -10.428 8.657 178 HZ1 LYS 22 3HZ LYS 22 -10.832 -8.588 9.432 179 HZ2 LYS 22 1HZ LYS 22 -9.977 -8.079 8.059 180 HZ3 LYS 22 2HZ LYS 22 -9.142 -8.416 9.500 181 H SER 23 H SER 23 -10.513 -11.779 2.939 182 HA SER 23 HA SER 23 -11.270 -11.218 0.310 183 HB2 SER 23 2HB SER 23 -9.903 -13.136 0.760 184 HB3 SER 23 3HB SER 23 -11.133 -13.849 1.799 185 HG SER 23 HG SER 23 -12.451 -14.083 -0.022 186 H LYS 24 H LYS 24 -12.987 -12.626 -0.872 187 HA LYS 24 HA LYS 24 -15.571 -11.659 -0.117 188 HB2 LYS 24 2HB LYS 24 -14.601 -13.692 -2.139 189 HB3 LYS 24 3HB LYS 24 -16.326 -13.414 -1.899 190 HG2 LYS 24 2HG LYS 24 -15.592 -11.985 -3.707 191 HG3 LYS 24 3HG LYS 24 -15.915 -10.962 -2.310 192 HD2 LYS 24 2HD LYS 24 -13.574 -10.769 -1.802 193 HD3 LYS 24 3HD LYS 24 -13.156 -12.016 -2.978 194 HE2 LYS 24 2HE LYS 24 -13.918 -10.570 -4.805 195 HE3 LYS 24 3HE LYS 24 -14.419 -9.339 -3.644 196 HZ1 LYS 24 3HZ LYS 24 -12.321 -8.660 -4.333 197 HZ2 LYS 24 1HZ LYS 24 -11.686 -10.232 -4.321 198 HZ3 LYS 24 2HZ LYS 24 -12.009 -9.436 -2.856 199 H ASN 25 H ASN 25 -14.041 -14.854 0.206 200 HA ASN 25 HA ASN 25 -16.407 -15.823 1.746 201 HB2 ASN 25 2HB ASN 25 -13.953 -17.242 0.653 202 HB3 ASN 25 3HB ASN 25 -15.184 -18.030 1.641 203 HD21 ASN 25 1HD2 ASN 25 -17.405 -16.414 0.414 204 HD22 ASN 25 2HD2 ASN 25 -17.630 -17.060 -1.137 205 H GLY 26 H GLY 26 -13.560 -14.221 2.272 206 HA2 GLY 26 2HA GLY 26 -12.439 -13.652 4.247 207 HA3 GLY 26 3HA GLY 26 -13.671 -14.545 5.140 208 H GLN 27 H GLN 27 -12.061 -16.211 2.606 209 HA GLN 27 HA GLN 27 -10.798 -18.030 4.563 210 HB2 GLN 27 2HB GLN 27 -10.368 -19.451 2.590 211 HB3 GLN 27 3HB GLN 27 -12.063 -18.977 2.662 212 HG2 GLN 27 2HG GLN 27 -11.582 -17.130 1.052 213 HG3 GLN 27 3HG GLN 27 -9.919 -17.704 0.931 214 HE21 GLN 27 1HE2 GLN 27 -12.239 -17.667 -1.109 215 HE22 GLN 27 2HE2 GLN 27 -12.300 -19.264 -1.684 216 H SER 28 H SER 28 -9.964 -15.237 2.975 217 HA SER 28 HA SER 28 -7.075 -15.747 3.417 218 HB2 SER 28 2HB SER 28 -8.277 -14.895 0.777 219 HB3 SER 28 3HB SER 28 -6.584 -14.630 1.186 220 HG SER 28 HG SER 28 -6.646 -16.987 1.717 221 H GLY 29 H GLY 29 -6.364 -14.126 4.606 222 HA2 GLY 29 2HA GLY 29 -7.870 -11.641 4.908 223 HA3 GLY 29 3HA GLY 29 -6.396 -12.077 5.769 224 H MET 30 H MET 30 -7.273 -9.626 4.230 225 HA MET 30 HA MET 30 -4.700 -9.187 2.868 226 HB2 MET 30 2HB MET 30 -5.738 -8.459 0.772 227 HB3 MET 30 3HB MET 30 -6.124 -10.145 1.097 228 HG2 MET 30 2HG MET 30 -8.322 -9.457 2.018 229 HG3 MET 30 3HG MET 30 -7.940 -7.776 1.663 230 HE1 MET 30 3HE MET 30 -8.499 -11.234 0.566 231 HE2 MET 30 1HE MET 30 -7.267 -11.117 -0.696 232 HE3 MET 30 2HE MET 30 -8.971 -11.198 -1.128 233 H ALA 31 H ALA 31 -4.513 -6.883 2.162 234 HA ALA 31 HA ALA 31 -6.247 -5.031 3.749 235 HB1 ALA 31 3HB ALA 31 -4.340 -3.815 4.530 236 HB2 ALA 31 1HB ALA 31 -3.248 -4.743 3.500 237 HB3 ALA 31 2HB ALA 31 -4.027 -5.514 4.881 238 H LYS 32 H LYS 32 -6.667 -3.099 2.799 239 HA LYS 32 HA LYS 32 -5.745 -2.768 -0.029 240 HB2 LYS 32 2HB LYS 32 -8.254 -1.836 1.385 241 HB3 LYS 32 3HB LYS 32 -7.809 -1.357 -0.255 242 HG2 LYS 32 2HG LYS 32 -7.754 -3.732 -0.933 243 HG3 LYS 32 3HG LYS 32 -8.222 -4.206 0.701 244 HD2 LYS 32 2HD LYS 32 -10.331 -2.973 0.481 245 HD3 LYS 32 3HD LYS 32 -9.862 -2.428 -1.130 246 HE2 LYS 32 2HE LYS 32 -11.374 -4.361 -1.288 247 HE3 LYS 32 3HE LYS 32 -9.771 -4.782 -1.893 248 HZ1 LYS 32 3HZ LYS 32 -10.944 -5.452 0.746 249 HZ2 LYS 32 1HZ LYS 32 -9.295 -5.643 0.391 250 HZ3 LYS 32 2HZ LYS 32 -10.458 -6.525 -0.479 251 H PHE 33 H PHE 33 -4.938 -0.852 -0.703 252 HA PHE 33 HA PHE 33 -4.479 1.280 1.360 253 HB2 PHE 33 2HB PHE 33 -2.604 0.157 -0.736 254 HB3 PHE 33 3HB PHE 33 -2.331 1.712 0.053 255 HD1 PHE 33 HD2 PHE 33 -2.529 -1.941 0.558 256 HD2 PHE 33 HD1 PHE 33 -1.747 1.859 2.401 257 HE1 PHE 33 HE2 PHE 33 -1.577 -3.096 2.535 258 HE2 PHE 33 HE1 PHE 33 -0.793 0.700 4.378 259 HZ PHE 33 HZ PHE 33 -0.711 -1.772 4.446 260 H TYR 34 H TYR 34 -4.970 3.288 0.761 261 HA TYR 34 HA TYR 34 -5.777 3.784 -2.090 262 HB2 TYR 34 2HB TYR 34 -7.701 3.736 -0.531 263 HB3 TYR 34 3HB TYR 34 -6.941 5.005 0.428 264 HD1 TYR 34 HD1 TYR 34 -8.049 4.220 -3.053 265 HD2 TYR 34 HD2 TYR 34 -7.297 7.270 -0.125 266 HE1 TYR 34 HE1 TYR 34 -8.987 5.925 -4.589 267 HE2 TYR 34 HE2 TYR 34 -8.235 8.977 -1.661 268 HH TYR 34 HH TYR 34 -9.226 8.128 -4.960 269 H PHE 35 H PHE 35 -4.664 5.301 -3.073 270 HA PHE 35 HA PHE 35 -2.972 7.186 -1.473 271 HB2 PHE 35 2HB PHE 35 -2.715 6.046 -4.261 272 HB3 PHE 35 3HB PHE 35 -1.774 7.432 -3.725 273 HD1 PHE 35 HD1 PHE 35 -2.587 3.886 -2.865 274 HD2 PHE 35 HD2 PHE 35 0.182 7.143 -2.431 275 HE1 PHE 35 HE1 PHE 35 -0.976 2.368 -1.744 276 HE2 PHE 35 HE2 PHE 35 1.789 5.625 -1.309 277 HZ PHE 35 HZ PHE 35 1.207 3.241 -0.964 278 H LEU 36 H LEU 36 -3.745 9.184 -1.364 279 HA LEU 36 HA LEU 36 -5.644 10.145 -3.433 280 HB2 LEU 36 2HB LEU 36 -6.399 10.333 -1.105 281 HB3 LEU 36 3HB LEU 36 -4.956 11.257 -0.689 282 HG LEU 36 HG LEU 36 -5.634 13.052 -2.229 283 HD11 LEU 36 1HD1 LEU 36 -7.794 11.068 -2.920 284 HD12 LEU 36 2HD1 LEU 36 -6.788 12.038 -3.996 285 HD13 LEU 36 3HD1 LEU 36 -8.102 12.795 -3.107 286 HD21 LEU 36 3HD2 LEU 36 -8.031 12.304 -0.547 287 HD22 LEU 36 1HD2 LEU 36 -7.449 13.919 -0.952 288 HD23 LEU 36 2HD2 LEU 36 -6.529 12.903 0.159 289 H GLU 37 H GLU 37 -4.923 11.453 -4.958 290 HA GLU 37 HA GLU 37 -3.402 12.741 -6.211 291 HB2 GLU 37 2HB GLU 37 -3.699 14.260 -3.614 292 HB3 GLU 37 3HB GLU 37 -2.902 14.926 -5.039 293 HG2 GLU 37 2HG GLU 37 -4.959 14.559 -6.363 294 HG3 GLU 37 3HG GLU 37 -5.762 13.917 -4.932 295 HA PRO 38 HA PRO 38 0.261 11.054 -3.738 296 HB2 PRO 38 2HB PRO 38 1.031 9.178 -5.635 297 HB3 PRO 38 3HB PRO 38 -0.012 8.834 -4.247 298 HG2 PRO 38 2HG PRO 38 -0.752 9.321 -7.092 299 HG3 PRO 38 3HG PRO 38 -1.466 8.206 -5.915 300 HD2 PRO 38 2HD PRO 38 -2.629 10.588 -6.590 301 HD3 PRO 38 3HD PRO 38 -2.831 9.840 -4.993 302 H THR 39 H THR 39 2.345 11.711 -4.077 303 HA THR 39 HA THR 39 2.871 13.682 -6.114 304 HB THR 39 HB THR 39 4.895 12.278 -4.339 305 HG1 THR 39 HG1 THR 39 3.844 14.749 -3.668 306 HG21 THR 39 3HG2 THR 39 5.902 13.603 -6.109 307 HG22 THR 39 1HG2 THR 39 6.079 14.468 -4.581 308 HG23 THR 39 2HG2 THR 39 4.842 14.962 -5.737 309 H ILE 40 H ILE 40 3.294 10.253 -5.955 310 HA ILE 40 HA ILE 40 5.450 9.932 -7.772 311 HB ILE 40 HB ILE 40 4.172 8.171 -6.300 312 HG12 ILE 40 2HG1 ILE 40 4.744 6.390 -8.202 313 HG13 ILE 40 3HG1 ILE 40 5.425 7.797 -9.015 314 HG21 ILE 40 1HG2 ILE 40 2.709 7.588 -8.868 315 HG22 ILE 40 2HG2 ILE 40 2.011 8.703 -7.696 316 HG23 ILE 40 3HG2 ILE 40 2.349 7.036 -7.232 317 HD11 ILE 40 3HD1 ILE 40 7.246 6.978 -7.781 318 HD12 ILE 40 1HD1 ILE 40 6.239 6.553 -6.399 319 HD13 ILE 40 2HD1 ILE 40 6.615 8.242 -6.728 320 H LEU 41 H LEU 41 2.657 11.521 -8.342 321 HA LEU 41 HA LEU 41 2.228 10.582 -11.117 322 HB2 LEU 41 2HB LEU 41 0.939 12.859 -9.562 323 HB3 LEU 41 3HB LEU 41 0.426 12.274 -11.146 324 HG LEU 41 HG LEU 41 0.482 10.602 -8.615 325 HD11 LEU 41 1HD1 LEU 41 -1.279 12.268 -8.458 326 HD12 LEU 41 2HD1 LEU 41 -2.017 10.714 -8.848 327 HD13 LEU 41 3HD1 LEU 41 -1.801 11.927 -10.108 328 HD21 LEU 41 3HD2 LEU 41 0.704 9.063 -10.371 329 HD22 LEU 41 1HD2 LEU 41 -0.221 10.057 -11.496 330 HD23 LEU 41 2HD2 LEU 41 -1.045 9.164 -10.218 331 H ALA 42 H ALA 42 4.165 12.780 -9.425 332 HA ALA 42 HA ALA 42 4.524 14.575 -11.788 333 HB1 ALA 42 3HB ALA 42 5.665 16.067 -10.278 334 HB2 ALA 42 1HB ALA 42 5.745 14.830 -9.023 335 HB3 ALA 42 2HB ALA 42 4.193 15.537 -9.465 336 H LYS 43 H LYS 43 5.902 11.872 -10.218 337 HA LYS 43 HA LYS 43 8.612 12.389 -11.376 338 HB2 LYS 43 2HB LYS 43 7.601 10.347 -9.371 339 HB3 LYS 43 3HB LYS 43 9.247 10.366 -10.011 340 HG2 LYS 43 2HG LYS 43 9.541 12.672 -9.172 341 HG3 LYS 43 3HG LYS 43 7.908 12.635 -8.507 342 HD2 LYS 43 2HD LYS 43 8.528 10.748 -7.053 343 HD3 LYS 43 3HD LYS 43 10.157 10.753 -7.727 344 HE2 LYS 43 2HE LYS 43 10.488 13.064 -6.905 345 HE3 LYS 43 3HE LYS 43 8.866 13.045 -6.215 346 HZ1 LYS 43 3HZ LYS 43 9.730 12.128 -4.411 347 HZ2 LYS 43 1HZ LYS 43 11.261 12.017 -5.133 348 HZ3 LYS 43 2HZ LYS 43 10.143 10.753 -5.321 349 H GLU 44 H GLU 44 6.128 9.820 -11.208 350 HA GLU 44 HA GLU 44 6.941 8.959 -13.954 351 HB2 GLU 44 2HB GLU 44 6.628 7.165 -11.530 352 HB3 GLU 44 3HB GLU 44 6.684 6.570 -13.190 353 HG2 GLU 44 2HG GLU 44 8.899 7.561 -13.504 354 HG3 GLU 44 3HG GLU 44 8.847 8.242 -11.879 355 H SER 45 H SER 45 5.296 7.829 -15.082 356 HA SER 45 HA SER 45 2.631 8.823 -14.563 357 HB2 SER 45 2HB SER 45 3.402 8.518 -16.853 358 HB3 SER 45 3HB SER 45 3.658 6.799 -16.571 359 HG SER 45 HG SER 45 1.616 6.502 -16.927 360 H THR 46 H THR 46 0.732 7.464 -14.363 361 HA THR 46 HA THR 46 0.943 5.588 -12.211 362 HB THR 46 HB THR 46 -1.489 5.159 -12.692 363 HG1 THR 46 HG1 THR 46 -1.624 5.380 -14.860 364 HG21 THR 46 3HG2 THR 46 -2.179 7.613 -12.423 365 HG22 THR 46 1HG2 THR 46 -0.463 7.996 -12.550 366 HG23 THR 46 2HG2 THR 46 -1.043 6.983 -11.232 367 H ASP 47 H ASP 47 0.703 5.241 -15.703 368 HA ASP 47 HA ASP 47 0.283 2.371 -15.694 369 HB2 ASP 47 2HB ASP 47 1.212 4.322 -17.822 370 HB3 ASP 47 3HB ASP 47 0.972 2.603 -18.133 371 H ASP 48 H ASP 48 3.024 4.399 -15.257 372 HA ASP 48 HA ASP 48 4.998 2.399 -16.131 373 HB2 ASP 48 2HB ASP 48 5.244 5.091 -14.757 374 HB3 ASP 48 3HB ASP 48 6.632 4.080 -15.159 375 H ILE 49 H ILE 49 3.057 2.681 -13.449 376 HA ILE 49 HA ILE 49 5.064 1.877 -11.438 377 HB ILE 49 HB ILE 49 2.048 2.186 -11.273 378 HG12 ILE 49 2HG1 ILE 49 4.260 3.872 -10.062 379 HG13 ILE 49 3HG1 ILE 49 3.497 4.253 -11.606 380 HG21 ILE 49 1HG2 ILE 49 4.134 1.492 -9.190 381 HG22 ILE 49 2HG2 ILE 49 2.693 0.569 -9.617 382 HG23 ILE 49 3HG2 ILE 49 2.536 2.111 -8.774 383 HD11 ILE 49 3HD1 ILE 49 1.265 4.201 -10.384 384 HD12 ILE 49 1HD1 ILE 49 2.336 5.529 -9.937 385 HD13 ILE 49 2HD1 ILE 49 2.182 4.124 -8.881 386 H THR 50 H THR 50 5.634 -0.159 -11.107 387 HA THR 50 HA THR 50 3.785 -2.374 -11.943 388 HB THR 50 HB THR 50 6.809 -2.526 -11.848 389 HG1 THR 50 HG1 THR 50 6.843 -1.778 -13.818 390 HG21 THR 50 3HG2 THR 50 5.385 -4.617 -11.705 391 HG22 THR 50 1HG2 THR 50 6.487 -4.566 -13.082 392 HG23 THR 50 2HG2 THR 50 4.771 -4.221 -13.309 393 H GLY 51 H GLY 51 2.858 -2.584 -9.909 394 HA2 GLY 51 2HA GLY 51 2.666 -3.747 -7.880 395 HA3 GLY 51 3HA GLY 51 4.359 -4.210 -8.020 396 H MET 52 H MET 52 3.934 -3.684 -5.604 397 HA MET 52 HA MET 52 4.871 -0.885 -5.120 398 HB2 MET 52 2HB MET 52 2.466 -1.032 -4.551 399 HB3 MET 52 3HB MET 52 2.816 -2.371 -3.456 400 HG2 MET 52 2HG MET 52 4.240 -0.940 -2.090 401 HG3 MET 52 3HG MET 52 4.048 0.389 -3.229 402 HE1 MET 52 3HE MET 52 1.030 -2.120 -1.872 403 HE2 MET 52 1HE MET 52 1.117 -1.390 -0.264 404 HE3 MET 52 2HE MET 52 2.554 -2.104 -0.990 405 H TYR 53 H TYR 53 6.604 -0.787 -3.854 406 HA TYR 53 HA TYR 53 7.545 -3.293 -2.510 407 HB2 TYR 53 2HB TYR 53 9.046 -0.837 -3.470 408 HB3 TYR 53 3HB TYR 53 9.780 -2.164 -2.570 409 HD1 TYR 53 HD1 TYR 53 7.734 -1.472 -5.633 410 HD2 TYR 53 HD2 TYR 53 10.573 -4.062 -3.710 411 HE1 TYR 53 HE1 TYR 53 7.983 -2.764 -7.736 412 HE2 TYR 53 HE2 TYR 53 10.820 -5.352 -5.811 413 HH TYR 53 HH TYR 53 8.762 -4.738 -8.598 414 H LEU 54 H LEU 54 6.984 -3.295 -0.450 415 HA LEU 54 HA LEU 54 6.702 -0.826 1.121 416 HB2 LEU 54 2HB LEU 54 6.439 -3.740 1.934 417 HB3 LEU 54 3HB LEU 54 5.976 -2.353 2.919 418 HG LEU 54 HG LEU 54 4.800 -3.028 0.203 419 HD11 LEU 54 1HD1 LEU 54 3.963 -4.654 1.714 420 HD12 LEU 54 2HD1 LEU 54 2.722 -3.403 1.689 421 HD13 LEU 54 3HD1 LEU 54 3.855 -3.492 3.037 422 HD21 LEU 54 3HD2 LEU 54 3.059 -1.293 1.160 423 HD22 LEU 54 1HD2 LEU 54 4.544 -0.706 0.419 424 HD23 LEU 54 2HD2 LEU 54 4.404 -0.781 2.176 425 H ILE 55 H ILE 55 8.462 0.095 1.909 426 HA ILE 55 HA ILE 55 10.731 -1.633 2.832 427 HB ILE 55 HB ILE 55 10.740 1.282 1.982 428 HG12 ILE 55 2HG1 ILE 55 10.437 -0.670 0.227 429 HG13 ILE 55 3HG1 ILE 55 11.625 0.593 -0.081 430 HG21 ILE 55 1HG2 ILE 55 12.497 1.047 3.551 431 HG22 ILE 55 2HG2 ILE 55 13.292 0.762 2.000 432 HG23 ILE 55 3HG2 ILE 55 12.856 -0.601 3.030 433 HD11 ILE 55 3HD1 ILE 55 13.434 -0.785 0.484 434 HD12 ILE 55 1HD1 ILE 55 12.357 -1.893 -0.360 435 HD13 ILE 55 2HD1 ILE 55 12.434 -1.906 1.399 436 H ASP 56 H ASP 56 11.189 -1.661 4.917 437 HA ASP 56 HA ASP 56 10.199 0.549 6.678 438 HB2 ASP 56 2HB ASP 56 9.870 -2.440 7.068 439 HB3 ASP 56 3HB ASP 56 9.685 -1.270 8.376 440 H ASP 57 H ASP 57 11.755 -2.524 7.489 441 HA ASP 57 HA ASP 57 14.342 -1.147 8.022 442 HB2 ASP 57 2HB ASP 57 12.986 -1.022 10.124 443 HB3 ASP 57 3HB ASP 57 12.881 -2.783 10.126 444 H GLU 58 H GLU 58 15.386 -2.369 6.525 445 HA GLU 58 HA GLU 58 16.580 -4.180 5.681 446 HB2 GLU 58 2HB GLU 58 15.796 -5.395 8.349 447 HB3 GLU 58 3HB GLU 58 16.905 -6.135 7.212 448 HG2 GLU 58 2HG GLU 58 18.402 -4.218 7.355 449 HG3 GLU 58 3HG GLU 58 17.264 -3.376 8.405 450 H GLY 59 H GLY 59 13.507 -5.044 7.194 451 HA2 GLY 59 2HA GLY 59 13.035 -7.217 5.285 452 HA3 GLY 59 3HA GLY 59 11.977 -6.744 6.615 453 H GLU 60 H GLU 60 11.702 -7.104 3.568 454 HA GLU 60 HA GLU 60 9.957 -4.728 3.200 455 HB2 GLU 60 2HB GLU 60 10.814 -4.354 0.930 456 HB3 GLU 60 3HB GLU 60 12.107 -4.170 2.112 457 HG2 GLU 60 2HG GLU 60 12.832 -6.507 1.652 458 HG3 GLU 60 3HG GLU 60 11.575 -6.641 0.424 459 H ILE 61 H ILE 61 8.177 -5.117 1.961 460 HA ILE 61 HA ILE 61 7.773 -7.921 0.963 461 HB ILE 61 HB ILE 61 5.769 -6.040 2.244 462 HG12 ILE 61 2HG1 ILE 61 6.703 -8.782 3.132 463 HG13 ILE 61 3HG1 ILE 61 7.417 -7.284 3.733 464 HG21 ILE 61 1HG2 ILE 61 4.286 -8.111 2.013 465 HG22 ILE 61 2HG2 ILE 61 5.494 -8.731 0.888 466 HG23 ILE 61 3HG2 ILE 61 4.629 -7.240 0.517 467 HD11 ILE 61 3HD1 ILE 61 5.695 -8.001 5.293 468 HD12 ILE 61 1HD1 ILE 61 4.519 -8.134 3.987 469 HD13 ILE 61 2HD1 ILE 61 5.134 -6.550 4.461 470 H ILE 62 H ILE 62 7.165 -8.100 -1.094 471 HA ILE 62 HA ILE 62 6.610 -5.602 -2.647 472 HB ILE 62 HB ILE 62 7.632 -8.318 -3.537 473 HG12 ILE 62 2HG1 ILE 62 9.621 -6.759 -4.203 474 HG13 ILE 62 3HG1 ILE 62 8.898 -5.604 -3.087 475 HG21 ILE 62 1HG2 ILE 62 7.984 -7.071 -5.720 476 HG22 ILE 62 2HG2 ILE 62 6.935 -5.812 -5.068 477 HG23 ILE 62 3HG2 ILE 62 6.309 -7.443 -5.316 478 HD11 ILE 62 3HD1 ILE 62 9.417 -8.432 -2.171 479 HD12 ILE 62 1HD1 ILE 62 9.303 -6.952 -1.219 480 HD13 ILE 62 2HD1 ILE 62 10.725 -7.257 -2.206 481 H THR 63 H THR 63 4.707 -5.342 -3.595 482 HA THR 63 HA THR 63 2.784 -7.649 -3.665 483 HB THR 63 HB THR 63 2.214 -4.691 -3.294 484 HG1 THR 63 HG1 THR 63 2.639 -5.286 -1.324 485 HG21 THR 63 3HG2 THR 63 -0.129 -5.547 -2.907 486 HG22 THR 63 1HG2 THR 63 0.410 -7.113 -3.512 487 HG23 THR 63 2HG2 THR 63 0.431 -5.703 -4.571 488 H ARG 64 H ARG 64 2.290 -8.266 -5.633 489 HA ARG 64 HA ARG 64 2.817 -6.490 -7.955 490 HB2 ARG 64 2HB ARG 64 2.089 -9.440 -7.793 491 HB3 ARG 64 3HB ARG 64 2.502 -8.572 -9.271 492 HG2 ARG 64 2HG ARG 64 4.404 -8.541 -6.926 493 HG3 ARG 64 3HG ARG 64 4.382 -9.922 -8.021 494 HD2 ARG 64 2HD ARG 64 4.833 -7.029 -8.823 495 HD3 ARG 64 3HD ARG 64 6.062 -8.288 -8.757 496 HE ARG 64 HE ARG 64 3.981 -7.998 -10.820 497 HH11 ARG 64 1HH2 ARG 64 6.374 -9.983 -9.288 498 HH12 ARG 64 2HH2 ARG 64 6.532 -11.045 -10.648 499 HH21 ARG 64 1HH1 ARG 64 4.178 -9.382 -12.571 500 HH22 ARG 64 2HH1 ARG 64 5.291 -10.707 -12.499 501 H GLU 65 H GLU 65 0.355 -7.034 -5.886 502 HA GLU 65 HA GLU 65 -1.817 -6.998 -7.922 503 HB2 GLU 65 2HB GLU 65 -1.833 -7.236 -4.892 504 HB3 GLU 65 3HB GLU 65 -3.294 -7.146 -5.876 505 HG2 GLU 65 2HG GLU 65 -2.990 -9.461 -5.646 506 HG3 GLU 65 3HG GLU 65 -2.238 -9.142 -7.204 507 H VAL 66 H VAL 66 -0.876 -4.824 -8.540 508 HA VAL 66 HA VAL 66 -2.091 -2.657 -6.851 509 HB VAL 66 HB VAL 66 0.482 -2.644 -8.453 510 HG11 VAL 66 1HG1 VAL 66 0.564 -0.218 -7.588 511 HG12 VAL 66 2HG1 VAL 66 -1.168 -0.386 -7.303 512 HG13 VAL 66 3HG1 VAL 66 -0.525 -0.543 -8.937 513 HG21 VAL 66 3HG2 VAL 66 1.527 -2.216 -6.343 514 HG22 VAL 66 1HG2 VAL 66 0.396 -3.539 -6.057 515 HG23 VAL 66 2HG2 VAL 66 -0.022 -1.899 -5.564 516 H LYS 67 H LYS 67 -3.498 -1.381 -7.863 517 HA LYS 67 HA LYS 67 -3.573 -1.323 -10.854 518 HB2 LYS 67 2HB LYS 67 -5.929 -1.738 -8.990 519 HB3 LYS 67 3HB LYS 67 -6.065 -1.390 -10.715 520 HG2 LYS 67 2HG LYS 67 -4.758 -3.422 -11.230 521 HG3 LYS 67 3HG LYS 67 -4.644 -3.780 -9.505 522 HD2 LYS 67 2HD LYS 67 -7.085 -3.965 -9.355 523 HD3 LYS 67 3HD LYS 67 -7.238 -3.541 -11.060 524 HE2 LYS 67 2HE LYS 67 -7.367 -5.910 -11.023 525 HE3 LYS 67 3HE LYS 67 -5.710 -5.565 -11.521 526 HZ1 LYS 67 3HZ LYS 67 -4.999 -5.852 -9.231 527 HZ2 LYS 67 1HZ LYS 67 -5.777 -7.250 -9.795 528 HZ3 LYS 67 2HZ LYS 67 -6.596 -6.186 -8.755 529 H GLY 68 H GLY 68 -4.096 0.615 -11.711 530 HA2 GLY 68 2HA GLY 68 -3.872 2.977 -10.039 531 HA3 GLY 68 3HA GLY 68 -4.108 2.958 -11.782 532 H LYS 69 H LYS 69 -5.434 4.432 -9.490 533 HA LYS 69 HA LYS 69 -8.257 3.628 -10.017 534 HB2 LYS 69 2HB LYS 69 -7.161 3.856 -7.594 535 HB3 LYS 69 3HB LYS 69 -7.497 5.560 -7.841 536 HG2 LYS 69 2HG LYS 69 -9.451 4.751 -6.806 537 HG3 LYS 69 3HG LYS 69 -9.863 4.834 -8.518 538 HD2 LYS 69 2HD LYS 69 -9.751 2.501 -8.803 539 HD3 LYS 69 3HD LYS 69 -8.752 2.273 -7.373 540 HE2 LYS 69 2HE LYS 69 -10.583 2.683 -5.917 541 HE3 LYS 69 3HE LYS 69 -11.592 3.270 -7.240 542 HZ1 LYS 69 3HZ LYS 69 -10.481 0.555 -7.379 543 HZ2 LYS 69 1HZ LYS 69 -11.914 1.167 -8.050 544 HZ3 LYS 69 2HZ LYS 69 -11.829 0.840 -6.385 545 H PHE 70 H PHE 70 -9.275 4.830 -11.417 546 HA PHE 70 HA PHE 70 -8.363 7.640 -11.916 547 HB2 PHE 70 2HB PHE 70 -9.983 5.768 -13.672 548 HB3 PHE 70 3HB PHE 70 -9.461 7.396 -14.104 549 HD1 PHE 70 HD1 PHE 70 -7.042 7.909 -14.393 550 HD2 PHE 70 HD2 PHE 70 -8.454 3.908 -13.714 551 HE1 PHE 70 HE1 PHE 70 -4.865 7.008 -15.166 552 HE2 PHE 70 HE2 PHE 70 -6.277 3.008 -14.487 553 HZ PHE 70 HZ PHE 70 -4.481 4.558 -15.213 554 H ILE 71 H ILE 71 -9.632 9.187 -11.216 555 HA ILE 71 HA ILE 71 -12.534 8.628 -10.694 556 HB ILE 71 HB ILE 71 -10.676 10.630 -9.371 557 HG12 ILE 71 2HG1 ILE 71 -12.089 8.189 -8.240 558 HG13 ILE 71 3HG1 ILE 71 -10.392 8.212 -8.721 559 HG21 ILE 71 1HG2 ILE 71 -13.631 10.038 -9.045 560 HG22 ILE 71 2HG2 ILE 71 -12.896 11.571 -9.512 561 HG23 ILE 71 3HG2 ILE 71 -12.695 10.963 -7.872 562 HD11 ILE 71 3HD1 ILE 71 -11.725 9.700 -6.463 563 HD12 ILE 71 1HD1 ILE 71 -10.188 10.254 -7.122 564 HD13 ILE 71 2HD1 ILE 71 -10.311 8.649 -6.405 565 H ASN 72 H ASN 72 -13.996 9.955 -11.577 566 HA ASN 72 HA ASN 72 -14.941 11.499 -13.033 567 HB2 ASN 72 2HB ASN 72 -12.505 13.079 -12.170 568 HB3 ASN 72 3HB ASN 72 -13.782 13.735 -13.187 569 HD21 ASN 72 1HD2 ASN 72 -15.482 11.645 -11.334 570 HD22 ASN 72 2HD2 ASN 72 -15.870 12.645 -10.020 571 H GLY 73 H GLY 73 -13.176 9.433 -14.041 572 HA2 GLY 73 2HA GLY 73 -12.326 8.771 -16.114 573 HA3 GLY 73 3HA GLY 73 -13.024 10.249 -16.778 574 H ARG 74 H ARG 74 -10.681 10.219 -14.168 575 HA ARG 74 HA ARG 74 -8.457 10.773 -15.943 576 HB2 ARG 74 2HB ARG 74 -8.009 13.036 -14.893 577 HB3 ARG 74 3HB ARG 74 -9.390 12.973 -15.987 578 HG2 ARG 74 2HG ARG 74 -10.895 12.683 -14.036 579 HG3 ARG 74 3HG ARG 74 -9.502 12.805 -12.959 580 HD2 ARG 74 2HD ARG 74 -9.024 15.060 -14.103 581 HD3 ARG 74 3HD ARG 74 -10.649 14.931 -14.773 582 HE ARG 74 HE ARG 74 -11.484 15.523 -12.658 583 HH11 ARG 74 1HH2 ARG 74 -8.268 14.250 -12.404 584 HH12 ARG 74 2HH2 ARG 74 -8.149 14.576 -10.707 585 HH21 ARG 74 1HH1 ARG 74 -11.319 15.947 -10.461 586 HH22 ARG 74 2HH1 ARG 74 -9.867 15.533 -9.613 587 HA PRO 75 HA PRO 75 -6.107 9.070 -12.572 588 HB2 PRO 75 2HB PRO 75 -4.176 11.335 -12.948 589 HB3 PRO 75 3HB PRO 75 -3.875 9.586 -12.956 590 HG2 PRO 75 2HG PRO 75 -3.908 11.025 -15.216 591 HG3 PRO 75 3HG PRO 75 -4.496 9.353 -15.156 592 HD2 PRO 75 2HD PRO 75 -6.055 11.886 -15.347 593 HD3 PRO 75 3HD PRO 75 -6.425 10.261 -15.959 594 H THR 76 H THR 76 -6.027 9.339 -10.364 595 HA THR 76 HA THR 76 -5.996 11.984 -9.119 596 HB THR 76 HB THR 76 -8.449 10.280 -8.665 597 HG1 THR 76 HG1 THR 76 -9.421 11.966 -10.031 598 HG21 THR 76 3HG2 THR 76 -7.878 11.920 -6.929 599 HG22 THR 76 1HG2 THR 76 -9.335 12.419 -7.791 600 HG23 THR 76 2HG2 THR 76 -7.790 13.192 -8.149 601 H ALA 77 H ALA 77 -6.441 8.470 -8.794 602 HA ALA 77 HA ALA 77 -4.706 8.500 -6.406 603 HB1 ALA 77 3HB ALA 77 -6.498 7.016 -5.213 604 HB2 ALA 77 1HB ALA 77 -7.629 7.783 -6.332 605 HB3 ALA 77 2HB ALA 77 -6.703 8.766 -5.201 606 H ILE 78 H ILE 78 -4.400 6.220 -5.596 607 HA ILE 78 HA ILE 78 -4.612 4.184 -7.780 608 HB ILE 78 HB ILE 78 -2.132 4.832 -6.154 609 HG12 ILE 78 2HG1 ILE 78 -2.557 4.855 -9.152 610 HG13 ILE 78 3HG1 ILE 78 -2.717 6.296 -8.150 611 HG21 ILE 78 1HG2 ILE 78 -1.150 3.023 -7.677 612 HG22 ILE 78 2HG2 ILE 78 -2.815 2.562 -8.023 613 HG23 ILE 78 3HG2 ILE 78 -2.199 2.462 -6.376 614 HD11 ILE 78 3HD1 ILE 78 -0.445 6.061 -9.173 615 HD12 ILE 78 1HD1 ILE 78 -0.229 4.569 -8.260 616 HD13 ILE 78 2HD1 ILE 78 -0.410 6.105 -7.412 617 H GLU 79 H GLU 79 -5.438 2.346 -7.058 618 HA GLU 79 HA GLU 79 -5.555 1.846 -4.102 619 HB2 GLU 79 2HB GLU 79 -7.734 2.106 -5.274 620 HB3 GLU 79 3HB GLU 79 -7.311 0.761 -6.334 621 HG2 GLU 79 2HG GLU 79 -7.156 -0.743 -4.394 622 HG3 GLU 79 3HG GLU 79 -7.525 0.598 -3.312 623 H ALA 80 H ALA 80 -4.901 -0.120 -3.310 624 HA ALA 80 HA ALA 80 -3.985 -2.245 -5.158 625 HB1 ALA 80 3HB ALA 80 -1.760 -2.346 -4.074 626 HB2 ALA 80 1HB ALA 80 -2.146 -0.882 -3.168 627 HB3 ALA 80 2HB ALA 80 -2.006 -0.822 -4.926 628 H THR 81 H THR 81 -3.841 -4.263 -4.168 629 HA THR 81 HA THR 81 -4.828 -4.424 -1.339 630 HB THR 81 HB THR 81 -5.437 -6.414 -3.539 631 HG1 THR 81 HG1 THR 81 -6.517 -3.989 -2.966 632 HG21 THR 81 3HG2 THR 81 -5.468 -7.043 -1.036 633 HG22 THR 81 1HG2 THR 81 -6.929 -7.377 -1.963 634 HG23 THR 81 2HG2 THR 81 -6.852 -5.966 -0.911 635 H VAL 82 H VAL 82 -3.570 -5.526 -0.007 636 HA VAL 82 HA VAL 82 -1.314 -7.138 -1.125 637 HB VAL 82 HB VAL 82 -1.702 -5.986 1.657 638 HG11 VAL 82 1HG1 VAL 82 -0.313 -7.983 1.693 639 HG12 VAL 82 2HG1 VAL 82 0.731 -6.572 1.862 640 HG13 VAL 82 3HG1 VAL 82 0.616 -7.405 0.313 641 HG21 VAL 82 3HG2 VAL 82 0.005 -4.361 0.974 642 HG22 VAL 82 1HG2 VAL 82 -1.363 -4.281 -0.136 643 HG23 VAL 82 2HG2 VAL 82 0.115 -5.116 -0.616 644 H ILE 83 H ILE 83 -1.786 -9.210 -1.243 645 HA ILE 83 HA ILE 83 -3.774 -10.483 0.489 646 HB ILE 83 HB ILE 83 -2.042 -11.422 -1.809 647 HG12 ILE 83 2HG1 ILE 83 -4.206 -11.725 -2.904 648 HG13 ILE 83 3HG1 ILE 83 -5.049 -11.331 -1.409 649 HG21 ILE 83 1HG2 ILE 83 -3.750 -13.040 0.089 650 HG22 ILE 83 2HG2 ILE 83 -2.090 -13.351 -0.417 651 HG23 ILE 83 3HG2 ILE 83 -3.418 -13.590 -1.554 652 HD11 ILE 83 3HD1 ILE 83 -4.397 -9.064 -1.498 653 HD12 ILE 83 1HD1 ILE 83 -4.800 -9.454 -3.170 654 HD13 ILE 83 2HD1 ILE 83 -3.112 -9.386 -2.665 655 H LEU 84 H LEU 84 -3.343 -11.523 2.317 656 HA LEU 84 HA LEU 84 -0.504 -12.278 2.959 657 HB2 LEU 84 2HB LEU 84 -2.708 -11.468 4.888 658 HB3 LEU 84 3HB LEU 84 -1.034 -11.840 5.302 659 HG LEU 84 HG LEU 84 -1.910 -9.573 3.486 660 HD11 LEU 84 1HD1 LEU 84 -2.510 -9.201 5.860 661 HD12 LEU 84 2HD1 LEU 84 -1.221 -8.114 5.345 662 HD13 LEU 84 3HD1 LEU 84 -0.841 -9.529 6.326 663 HD21 LEU 84 3HD2 LEU 84 0.765 -10.619 4.414 664 HD22 LEU 84 1HD2 LEU 84 0.574 -8.914 4.007 665 HD23 LEU 84 2HD2 LEU 84 0.266 -10.144 2.790 666 H ASN 85 H ASN 85 -1.539 -14.191 1.637 667 HA ASN 85 HA ASN 85 -3.380 -15.969 2.940 668 HB2 ASN 85 2HB ASN 85 -1.251 -16.446 0.828 669 HB3 ASN 85 3HB ASN 85 -2.385 -17.687 1.360 670 HD21 ASN 85 1HD2 ASN 85 -4.315 -15.132 1.700 671 HD22 ASN 85 2HD2 ASN 85 -4.944 -14.976 0.133 672 H SER 86 H SER 86 0.161 -15.706 2.984 673 HA SER 86 HA SER 86 0.710 -18.106 4.426 674 HB2 SER 86 2HB SER 86 2.644 -17.153 3.542 675 HB3 SER 86 3HB SER 86 2.169 -15.519 3.997 676 HG SER 86 HG SER 86 3.877 -16.758 5.269 677 H GLN 87 H GLN 87 1.028 -18.477 6.609 678 HA GLN 87 HA GLN 87 -0.710 -16.977 8.389 679 HB2 GLN 87 2HB GLN 87 0.806 -19.522 8.457 680 HB3 GLN 87 3HB GLN 87 0.711 -18.721 10.026 681 HG2 GLN 87 2HG GLN 87 -1.187 -20.286 9.628 682 HG3 GLN 87 3HG GLN 87 -1.713 -18.621 9.872 683 HE21 GLN 87 1HE2 GLN 87 -0.802 -20.818 7.154 684 HE22 GLN 87 2HE2 GLN 87 -1.959 -20.200 6.076 685 HA PRO 88 HA PRO 88 3.406 -15.978 10.773 686 HB2 PRO 88 2HB PRO 88 5.702 -16.187 9.144 687 HB3 PRO 88 3HB PRO 88 5.211 -17.358 10.382 688 HG2 PRO 88 2HG PRO 88 4.814 -17.445 7.430 689 HG3 PRO 88 3HG PRO 88 5.149 -18.764 8.567 690 HD2 PRO 88 2HD PRO 88 2.687 -18.375 7.556 691 HD3 PRO 88 3HD PRO 88 2.920 -18.954 9.217 692 H GLU 89 H GLU 89 2.984 -15.355 7.367 693 HA GLU 89 HA GLU 89 4.359 -12.842 7.216 694 HB2 GLU 89 2HB GLU 89 3.663 -14.240 5.245 695 HB3 GLU 89 3HB GLU 89 1.992 -13.770 5.559 696 HG2 GLU 89 2HG GLU 89 2.845 -12.266 3.881 697 HG3 GLU 89 3HG GLU 89 2.743 -11.356 5.385 698 H TRP 90 H TRP 90 1.061 -13.749 8.087 699 HA TRP 90 HA TRP 90 -0.074 -11.132 8.070 700 HB2 TRP 90 2HB TRP 90 -0.841 -13.797 8.955 701 HB3 TRP 90 3HB TRP 90 -1.305 -12.635 10.194 702 HD1 TRP 90 HD1 TRP 90 -2.653 -14.144 7.221 703 HE1 TRP 90 HE1 TRP 90 -4.504 -12.694 6.166 704 HE3 TRP 90 HE3 TRP 90 -1.813 -9.737 9.656 705 HZ2 TRP 90 HZ2 TRP 90 -5.498 -10.011 6.336 706 HZ3 TRP 90 HZ3 TRP 90 -3.223 -7.752 9.190 707 HH2 TRP 90 HH2 TRP 90 -5.063 -7.886 7.535 708 H ASP 91 H ASP 91 1.521 -12.973 10.647 709 HA ASP 91 HA ASP 91 1.178 -11.076 12.740 710 HB2 ASP 91 2HB ASP 91 3.291 -13.184 12.218 711 HB3 ASP 91 3HB ASP 91 3.270 -12.215 13.690 712 H ARG 92 H ARG 92 3.894 -11.548 10.477 713 HA ARG 92 HA ARG 92 5.493 -9.391 11.467 714 HB2 ARG 92 2HB ARG 92 6.374 -11.203 10.011 715 HB3 ARG 92 3HB ARG 92 5.425 -10.567 8.667 716 HG2 ARG 92 2HG ARG 92 6.639 -8.472 8.729 717 HG3 ARG 92 3HG ARG 92 7.503 -8.966 10.183 718 HD2 ARG 92 2HD ARG 92 8.962 -9.291 8.258 719 HD3 ARG 92 3HD ARG 92 8.494 -10.870 8.889 720 HE ARG 92 HE ARG 92 6.645 -10.077 6.846 721 HH11 ARG 92 1HH2 ARG 92 9.919 -11.115 7.344 722 HH12 ARG 92 2HH2 ARG 92 10.047 -11.854 5.782 723 HH21 ARG 92 1HH1 ARG 92 6.823 -11.033 4.817 724 HH22 ARG 92 2HH1 ARG 92 8.303 -11.808 4.359 725 H PHE 93 H PHE 93 3.093 -9.570 8.865 726 HA PHE 93 HA PHE 93 3.433 -6.932 7.853 727 HB2 PHE 93 2HB PHE 93 2.092 -8.815 6.792 728 HB3 PHE 93 3HB PHE 93 0.814 -8.459 7.955 729 HD1 PHE 93 HD1 PHE 93 2.861 -7.009 5.210 730 HD2 PHE 93 HD2 PHE 93 -0.644 -6.584 7.656 731 HE1 PHE 93 HE1 PHE 93 2.077 -5.156 3.762 732 HE2 PHE 93 HE2 PHE 93 -1.428 -4.729 6.206 733 HZ PHE 93 HZ PHE 93 -0.067 -4.016 4.259 734 H MET 94 H MET 94 1.321 -8.200 10.409 735 HA MET 94 HA MET 94 -0.087 -5.789 10.943 736 HB2 MET 94 2HB MET 94 -0.754 -8.033 11.813 737 HB3 MET 94 3HB MET 94 0.632 -7.999 12.901 738 HG2 MET 94 2HG MET 94 -1.340 -7.268 14.120 739 HG3 MET 94 3HG MET 94 -0.268 -5.890 13.909 740 HE1 MET 94 3HE MET 94 -3.438 -6.241 14.513 741 HE2 MET 94 1HE MET 94 -3.744 -7.401 13.213 742 HE3 MET 94 2HE MET 94 -4.521 -5.819 13.188 743 H ARG 95 H ARG 95 2.957 -7.069 12.208 744 HA ARG 95 HA ARG 95 3.412 -5.173 14.269 745 HB2 ARG 95 2HB ARG 95 5.311 -6.727 12.491 746 HB3 ARG 95 3HB ARG 95 5.874 -5.714 13.820 747 HG2 ARG 95 2HG ARG 95 4.521 -7.013 15.405 748 HG3 ARG 95 3HG ARG 95 3.918 -8.013 14.086 749 HD2 ARG 95 2HD ARG 95 6.210 -8.778 13.598 750 HD3 ARG 95 3HD ARG 95 6.833 -7.759 14.894 751 HE ARG 95 HE ARG 95 4.850 -9.441 16.022 752 HH11 ARG 95 1HH2 ARG 95 7.961 -9.637 14.496 753 HH12 ARG 95 2HH2 ARG 95 8.411 -11.086 15.335 754 HH21 ARG 95 1HH1 ARG 95 5.440 -11.318 17.102 755 HH22 ARG 95 2HH1 ARG 95 6.989 -12.032 16.803 756 H PHE 96 H PHE 96 4.368 -5.103 10.842 757 HA PHE 96 HA PHE 96 5.677 -2.537 10.986 758 HB2 PHE 96 2HB PHE 96 4.595 -4.223 8.721 759 HB3 PHE 96 3HB PHE 96 5.259 -2.620 8.416 760 HD1 PHE 96 HD1 PHE 96 7.604 -2.190 9.733 761 HD2 PHE 96 HD2 PHE 96 6.078 -6.021 8.512 762 HE1 PHE 96 HE1 PHE 96 9.900 -3.126 9.784 763 HE2 PHE 96 HE2 PHE 96 8.377 -6.945 8.563 764 HZ PHE 96 HZ PHE 96 10.283 -5.503 9.199 765 H MET 97 H MET 97 2.400 -3.585 10.219 766 HA MET 97 HA MET 97 1.391 -1.066 9.306 767 HB2 MET 97 2HB MET 97 0.093 -3.507 10.541 768 HB3 MET 97 3HB MET 97 -0.854 -2.102 10.063 769 HG2 MET 97 2HG MET 97 1.020 -3.581 8.203 770 HG3 MET 97 3HG MET 97 -0.710 -3.895 8.296 771 HE1 MET 97 3HE MET 97 1.324 -0.984 5.695 772 HE2 MET 97 1HE MET 97 1.442 -2.729 5.958 773 HE3 MET 97 2HE MET 97 2.118 -1.608 7.138 774 H GLU 98 H GLU 98 1.599 -2.554 12.514 775 HA GLU 98 HA GLU 98 0.111 -0.556 13.928 776 HB2 GLU 98 2HB GLU 98 0.758 -2.843 14.805 777 HB3 GLU 98 3HB GLU 98 2.399 -2.230 15.014 778 HG2 GLU 98 2HG GLU 98 1.285 -1.976 17.132 779 HG3 GLU 98 3HG GLU 98 1.416 -0.366 16.425 780 H ARG 99 H ARG 99 3.608 -0.943 13.358 781 HA ARG 99 HA ARG 99 4.394 1.404 14.802 782 HB2 ARG 99 2HB ARG 99 5.885 -0.541 14.066 783 HB3 ARG 99 3HB ARG 99 5.872 0.181 12.456 784 HG2 ARG 99 2HG ARG 99 7.778 1.194 13.342 785 HG3 ARG 99 3HG ARG 99 6.558 2.388 13.785 786 HD2 ARG 99 2HD ARG 99 6.330 1.290 16.015 787 HD3 ARG 99 3HD ARG 99 7.607 0.163 15.566 788 HE ARG 99 HE ARG 99 8.607 2.791 15.196 789 HH11 ARG 99 1HH2 ARG 99 7.502 0.669 17.711 790 HH12 ARG 99 2HH2 ARG 99 8.518 1.381 18.920 791 HH21 ARG 99 1HH1 ARG 99 9.924 3.706 16.769 792 HH22 ARG 99 2HH1 ARG 99 9.884 3.092 18.388 793 H TYR 100 H TYR 100 3.692 0.834 11.374 794 HA TYR 100 HA TYR 100 4.430 3.409 10.410 795 HB2 TYR 100 2HB TYR 100 4.052 1.630 8.836 796 HB3 TYR 100 3HB TYR 100 2.405 1.382 9.414 797 HD1 TYR 100 HD1 TYR 100 4.634 3.633 7.498 798 HD2 TYR 100 HD2 TYR 100 0.601 2.850 8.755 799 HE1 TYR 100 HE1 TYR 100 3.800 5.298 5.861 800 HE2 TYR 100 HE2 TYR 100 -0.232 4.514 7.118 801 HH TYR 100 HH TYR 100 0.610 5.506 4.923 802 H GLY 101 H GLY 101 1.291 2.168 11.533 803 HA2 GLY 101 2HA GLY 101 -0.205 4.544 11.055 804 HA3 GLY 101 3HA GLY 101 -0.648 3.283 12.202 805 H ALA 102 H ALA 102 1.728 3.516 13.848 806 HA ALA 102 HA ALA 102 0.854 5.547 15.662 807 HB1 ALA 102 3HB ALA 102 3.158 5.173 16.723 808 HB2 ALA 102 1HB ALA 102 3.462 4.017 15.427 809 HB3 ALA 102 2HB ALA 102 2.145 3.739 16.567 810 H GLU 103 H GLU 103 3.636 5.427 13.450 811 HA GLU 103 HA GLU 103 4.463 8.152 13.965 812 HB2 GLU 103 2HB GLU 103 5.057 6.235 11.677 813 HB3 GLU 103 3HB GLU 103 5.829 7.810 11.863 814 HG2 GLU 103 2HG GLU 103 6.740 7.145 14.035 815 HG3 GLU 103 3HG GLU 103 5.908 5.594 13.933 816 H ASN 104 H ASN 104 2.577 6.535 11.441 817 HA ASN 104 HA ASN 104 2.040 9.017 9.987 818 HB2 ASN 104 2HB ASN 104 0.882 6.213 9.708 819 HB3 ASN 104 3HB ASN 104 0.510 7.554 8.626 820 HD21 ASN 104 1HD2 ASN 104 2.080 8.133 7.032 821 HD22 ASN 104 2HD2 ASN 104 3.537 7.291 6.819 822 H GLY 105 H GLY 105 -0.337 6.647 11.159 823 HA2 GLY 105 2HA GLY 105 -2.133 7.028 12.695 824 HA3 GLY 105 3HA GLY 105 -1.781 8.757 12.666 825 H LEU 106 H LEU 106 -2.365 6.440 10.030 826 HA LEU 106 HA LEU 106 -3.694 6.692 8.111 827 HB2 LEU 106 2HB LEU 106 -5.556 7.117 10.447 828 HB3 LEU 106 3HB LEU 106 -6.149 6.998 8.792 829 HG LEU 106 HG LEU 106 -6.179 4.819 10.018 830 HD11 LEU 106 1HD1 LEU 106 -4.119 4.458 7.873 831 HD12 LEU 106 2HD1 LEU 106 -5.654 5.195 7.417 832 HD13 LEU 106 3HD1 LEU 106 -5.627 3.590 8.140 833 HD21 LEU 106 3HD2 LEU 106 -4.210 3.740 10.733 834 HD22 LEU 106 1HD2 LEU 106 -3.996 5.408 11.265 835 HD23 LEU 106 2HD2 LEU 106 -3.178 4.827 9.811 836 H GLY 107 H GLY 107 -2.998 8.425 6.967 837 HA2 GLY 107 2HA GLY 107 -2.992 11.107 7.489 838 HA3 GLY 107 3HA GLY 107 -3.363 10.491 5.881 839 H PHE 108 H PHE 108 -4.597 12.012 8.681 840 HA PHE 108 HA PHE 108 -7.406 11.551 8.360 841 HB2 PHE 108 2HB PHE 108 -5.867 13.848 9.616 842 HB3 PHE 108 3HB PHE 108 -7.624 13.701 9.690 843 HD1 PHE 108 HD1 PHE 108 -8.651 11.655 10.770 844 HD2 PHE 108 HD2 PHE 108 -4.461 12.562 11.047 845 HE1 PHE 108 HE1 PHE 108 -8.439 10.098 12.691 846 HE2 PHE 108 HE2 PHE 108 -4.252 11.005 12.967 847 HZ PHE 108 HZ PHE 108 -6.239 9.772 13.787 848 H SER 109 H SER 109 -5.256 14.118 7.141 849 HA SER 109 HA SER 109 -6.977 14.535 4.822 850 HB2 SER 109 2HB SER 109 -7.410 16.944 5.324 851 HB3 SER 109 3HB SER 109 -8.236 15.850 6.429 852 HG SER 109 HG SER 109 -5.844 17.315 6.861 853 H LYS 110 H LYS 110 -4.417 13.729 4.846 854 HA LYS 110 HA LYS 110 -2.202 14.218 4.236 855 HB2 LYS 110 2HB LYS 110 -3.808 16.076 2.470 856 HB3 LYS 110 3HB LYS 110 -2.098 15.728 2.229 857 HG2 LYS 110 2HG LYS 110 -2.698 13.275 2.112 858 HG3 LYS 110 3HG LYS 110 -4.395 13.752 2.118 859 HD2 LYS 110 2HD LYS 110 -2.381 14.779 0.096 860 HD3 LYS 110 3HD LYS 110 -3.416 13.381 -0.193 861 HE2 LYS 110 2HE LYS 110 -5.386 14.947 0.395 862 HE3 LYS 110 3HE LYS 110 -4.231 16.264 0.197 863 HZ1 LYS 110 3HZ LYS 110 -4.309 14.264 -1.914 864 HZ2 LYS 110 1HZ LYS 110 -4.095 15.943 -2.016 865 HZ3 LYS 110 2HZ LYS 110 -5.652 15.298 -1.799 866 H SER 111 H SER 111 -0.909 16.432 3.408 867 HA SER 111 HA SER 111 0.289 18.249 4.231 868 HB2 SER 111 2HB SER 111 -2.251 19.181 5.551 869 HB3 SER 111 3HB SER 111 -0.961 20.142 4.832 870 HG SER 111 HG SER 111 -1.660 18.827 2.843 871 H GLU 112 H GLU 112 1.138 19.245 6.140 872 HA GLU 112 HA GLU 112 2.005 19.191 8.298 873 HB2 GLU 112 2HB GLU 112 -0.690 17.937 8.915 874 HB3 GLU 112 3HB GLU 112 0.437 18.560 10.109 875 HG2 GLU 112 2HG GLU 112 -0.776 20.210 7.873 876 HG3 GLU 112 3HG GLU 112 -1.357 20.196 9.537 877 H LEU 113 H LEU 113 0.113 16.177 8.017 878 HA LEU 113 HA LEU 113 1.953 14.558 9.458 879 HB2 LEU 113 2HB LEU 113 0.047 13.657 7.271 880 HB3 LEU 113 3HB LEU 113 0.689 12.674 8.586 881 HG LEU 113 HG LEU 113 -1.076 15.116 8.953 882 HD11 LEU 113 1HD1 LEU 113 -2.772 13.427 9.680 883 HD12 LEU 113 2HD1 LEU 113 -1.683 12.149 9.139 884 HD13 LEU 113 3HD1 LEU 113 -2.354 13.291 7.973 885 HD21 LEU 113 3HD2 LEU 113 0.185 14.938 10.928 886 HD22 LEU 113 1HD2 LEU 113 0.278 13.180 10.834 887 HD23 LEU 113 2HD2 LEU 113 -1.231 13.961 11.309 888 H GLU 114 H GLU 114 1.604 15.190 5.983 889 HA GLU 114 HA GLU 114 3.489 13.343 4.987 890 HB2 GLU 114 2HB GLU 114 2.764 16.128 4.022 891 HB3 GLU 114 3HB GLU 114 3.776 15.012 3.103 892 HG2 GLU 114 2HG GLU 114 1.976 13.365 3.046 893 HG3 GLU 114 3HG GLU 114 0.965 14.393 4.058 894 H HIS 115 H HIS 115 4.274 16.789 4.990 895 HA HIS 115 HA HIS 115 7.097 16.185 5.448 896 HB2 HIS 115 2HB HIS 115 5.645 18.837 5.167 897 HB3 HIS 115 3HB HIS 115 7.396 18.639 5.210 898 HD1 HIS 115 HD1 HIS 115 8.398 17.035 3.238 899 HD2 HIS 115 HD2 HIS 115 4.553 18.530 2.630 900 HE1 HIS 115 HE1 HIS 115 7.915 16.787 0.764 901 H HIS 116 H HIS 116 8.230 16.474 7.284 902 HA HIS 116 HA HIS 116 7.029 17.893 9.593 903 HB2 HIS 116 2HB HIS 116 6.303 15.503 9.764 904 HB3 HIS 116 3HB HIS 116 8.003 15.030 9.808 905 HD1 HIS 116 HD1 HIS 116 9.325 15.509 11.964 906 HD2 HIS 116 HD2 HIS 116 5.401 16.908 12.099 907 HE1 HIS 116 HE1 HIS 116 8.877 16.150 14.373 908 H HIS 117 H HIS 117 8.540 18.770 10.921 909 HA HIS 117 HA HIS 117 11.400 18.475 10.093 910 HB2 HIS 117 2HB HIS 117 9.975 20.686 11.604 911 HB3 HIS 117 3HB HIS 117 11.701 20.663 11.232 912 HD1 HIS 117 HD1 HIS 117 12.106 20.133 8.474 913 HD2 HIS 117 HD2 HIS 117 8.583 22.034 9.640 914 HE1 HIS 117 HE1 HIS 117 11.201 21.291 6.412 915 H HIS 118 H HIS 118 12.815 17.607 11.441 916 HA HIS 118 HA HIS 118 11.940 16.845 14.191 917 HB2 HIS 118 2HB HIS 118 14.182 15.831 12.416 918 HB3 HIS 118 3HB HIS 118 13.921 15.300 14.078 919 HD1 HIS 118 HD1 HIS 118 12.325 15.195 10.655 920 HD2 HIS 118 HD2 HIS 118 11.773 13.516 14.432 921 HE1 HIS 118 HE1 HIS 118 10.593 13.366 10.380 922 H HIS 119 H HIS 119 12.875 17.719 15.931 923 HA HIS 119 HA HIS 119 15.121 19.656 15.527 924 HB2 HIS 119 2HB HIS 119 13.101 19.405 17.783 925 HB3 HIS 119 3HB HIS 119 14.390 20.607 17.700 926 HD1 HIS 119 HD1 HIS 119 14.310 22.147 15.415 927 HD2 HIS 119 HD2 HIS 119 10.778 20.225 16.520 928 HE1 HIS 119 HE1 HIS 119 12.439 23.306 14.160 929 H HIS 120 H HIS 120 17.023 19.342 16.502 930 HA HIS 120 HA HIS 120 17.324 17.504 18.782 931 HB2 HIS 120 2HB HIS 120 19.130 16.216 17.563 932 HB3 HIS 120 3HB HIS 120 17.492 15.903 16.993 933 HD1 HIS 120 HD1 HIS 120 20.322 18.329 16.124 934 HD2 HIS 120 HD2 HIS 120 17.316 16.127 14.254 935 HE1 HIS 120 HE1 HIS 120 20.577 18.734 13.637 Start of MODEL 20 1 H1 MET 1 1H MET 1 10.436 3.106 13.861 2 H2 MET 1 2H MET 1 9.804 1.632 13.305 3 H3 MET 1 3H MET 1 8.902 3.061 13.141 4 HA MET 1 HA MET 1 10.499 3.954 11.594 5 HB2 MET 1 2HB MET 1 11.893 1.295 12.038 6 HB3 MET 1 3HB MET 1 12.334 2.470 10.799 7 HG2 MET 1 2HG MET 1 13.801 2.969 12.582 8 HG3 MET 1 3HG MET 1 12.519 4.164 12.758 9 HE1 MET 1 3HE MET 1 13.430 0.492 15.307 10 HE2 MET 1 1HE MET 1 14.624 1.601 14.620 11 HE3 MET 1 2HE MET 1 13.609 0.627 13.560 12 H ALA 2 H ALA 2 9.728 3.824 9.570 13 HA ALA 2 HA ALA 2 9.072 1.427 8.162 14 HB1 ALA 2 3HB ALA 2 7.202 1.062 9.542 15 HB2 ALA 2 1HB ALA 2 6.518 1.898 8.147 16 HB3 ALA 2 2HB ALA 2 6.822 2.783 9.645 17 H GLU 3 H GLU 3 8.466 1.856 6.042 18 HA GLU 3 HA GLU 3 7.799 4.588 5.192 19 HB2 GLU 3 2HB GLU 3 10.237 4.709 5.343 20 HB3 GLU 3 3HB GLU 3 10.392 3.260 4.351 21 HG2 GLU 3 2HG GLU 3 9.365 4.390 2.452 22 HG3 GLU 3 3HG GLU 3 9.035 5.813 3.442 23 H ILE 4 H ILE 4 6.602 4.562 3.400 24 HA ILE 4 HA ILE 4 6.439 2.024 1.801 25 HB ILE 4 HB ILE 4 4.247 4.014 2.460 26 HG12 ILE 4 2HG1 ILE 4 4.505 1.076 3.165 27 HG13 ILE 4 3HG1 ILE 4 4.969 2.374 4.261 28 HG21 ILE 4 1HG2 ILE 4 3.821 3.243 0.255 29 HG22 ILE 4 2HG2 ILE 4 2.856 2.185 1.283 30 HG23 ILE 4 3HG2 ILE 4 4.388 1.617 0.626 31 HD11 ILE 4 3HD1 ILE 4 2.728 1.785 4.854 32 HD12 ILE 4 1HD1 ILE 4 2.213 1.767 3.168 33 HD13 ILE 4 2HD1 ILE 4 2.605 3.296 3.957 34 H GLN 5 H GLN 5 6.906 2.225 -0.269 35 HA GLN 5 HA GLN 5 6.410 4.725 -1.739 36 HB2 GLN 5 2HB GLN 5 8.754 4.882 -2.532 37 HB3 GLN 5 3HB GLN 5 8.622 5.158 -0.795 38 HG2 GLN 5 2HG GLN 5 9.229 2.774 -0.400 39 HG3 GLN 5 3HG GLN 5 9.442 2.559 -2.136 40 HE21 GLN 5 1HE2 GLN 5 10.438 5.642 -1.770 41 HE22 GLN 5 2HE2 GLN 5 12.083 5.402 -1.430 42 H PHE 6 H PHE 6 6.727 4.440 -4.038 43 HA PHE 6 HA PHE 6 6.063 1.693 -4.903 44 HB2 PHE 6 2HB PHE 6 6.086 4.360 -6.353 45 HB3 PHE 6 3HB PHE 6 5.626 2.832 -7.104 46 HD1 PHE 6 HD1 PHE 6 3.657 1.552 -6.223 47 HD2 PHE 6 HD2 PHE 6 4.589 5.525 -4.882 48 HE1 PHE 6 HE1 PHE 6 1.367 1.778 -5.301 49 HE2 PHE 6 HE2 PHE 6 2.296 5.750 -3.960 50 HZ PHE 6 HZ PHE 6 0.686 3.876 -4.170 51 H SER 7 H SER 7 8.856 3.412 -4.449 52 HA SER 7 HA SER 7 10.330 1.671 -6.358 53 HB2 SER 7 2HB SER 7 11.477 3.420 -7.420 54 HB3 SER 7 3HB SER 7 9.830 4.036 -7.333 55 HG SER 7 HG SER 7 11.147 4.619 -5.066 56 H LYS 8 H LYS 8 12.591 3.721 -5.675 57 HA LYS 8 HA LYS 8 13.100 3.013 -2.842 58 HB2 LYS 8 2HB LYS 8 14.888 2.186 -5.152 59 HB3 LYS 8 3HB LYS 8 15.386 2.162 -3.459 60 HG2 LYS 8 2HG LYS 8 13.466 0.655 -2.949 61 HG3 LYS 8 3HG LYS 8 13.076 0.613 -4.667 62 HD2 LYS 8 2HD LYS 8 15.723 -0.258 -3.470 63 HD3 LYS 8 3HD LYS 8 14.433 -1.348 -3.981 64 HE2 LYS 8 2HE LYS 8 15.708 -1.339 -5.919 65 HE3 LYS 8 3HE LYS 8 14.673 0.043 -6.271 66 HZ1 LYS 8 3HZ LYS 8 16.784 0.974 -4.723 67 HZ2 LYS 8 1HZ LYS 8 16.481 1.284 -6.364 68 HZ3 LYS 8 2HZ LYS 8 17.465 -0.026 -5.918 69 H GLY 9 H GLY 9 13.237 5.072 -2.177 70 HA2 GLY 9 2HA GLY 9 14.805 6.858 -1.632 71 HA3 GLY 9 3HA GLY 9 15.448 6.762 -3.273 72 H VAL 10 H VAL 10 12.159 6.403 -3.426 73 HA VAL 10 HA VAL 10 11.813 9.209 -4.318 74 HB VAL 10 HB VAL 10 11.185 7.284 -5.805 75 HG11 VAL 10 1HG1 VAL 10 10.363 5.808 -3.945 76 HG12 VAL 10 2HG1 VAL 10 9.228 5.944 -5.288 77 HG13 VAL 10 3HG1 VAL 10 8.944 6.848 -3.804 78 HG21 VAL 10 3HG2 VAL 10 9.348 8.406 -6.684 79 HG22 VAL 10 1HG2 VAL 10 10.004 9.664 -5.646 80 HG23 VAL 10 2HG2 VAL 10 8.631 8.706 -5.107 81 H ALA 11 H ALA 11 11.795 8.113 -1.454 82 HA ALA 11 HA ALA 11 9.469 7.976 -0.082 83 HB1 ALA 11 3HB ALA 11 10.499 9.033 1.764 84 HB2 ALA 11 1HB ALA 11 11.456 10.099 0.736 85 HB3 ALA 11 2HB ALA 11 11.844 8.380 0.833 86 H GLU 12 H GLU 12 7.586 8.904 -0.469 87 HA GLU 12 HA GLU 12 7.429 11.716 -1.421 88 HB2 GLU 12 2HB GLU 12 5.269 9.599 -1.091 89 HB3 GLU 12 3HB GLU 12 5.056 11.184 -1.834 90 HG2 GLU 12 2HG GLU 12 6.718 10.629 -3.553 91 HG3 GLU 12 3HG GLU 12 6.963 9.046 -2.814 92 H THR 13 H THR 13 7.368 10.014 1.473 93 HA THR 13 HA THR 13 6.702 10.528 3.654 94 HB THR 13 HB THR 13 6.914 12.859 4.293 95 HG1 THR 13 HG1 THR 13 6.665 14.452 2.902 96 HG21 THR 13 3HG2 THR 13 8.989 11.630 3.688 97 HG22 THR 13 1HG2 THR 13 9.121 13.359 3.372 98 HG23 THR 13 2HG2 THR 13 8.844 12.238 2.038 99 H VAL 14 H VAL 14 4.692 10.466 1.273 100 HA VAL 14 HA VAL 14 2.447 12.095 2.069 101 HB VAL 14 HB VAL 14 2.670 9.636 0.305 102 HG11 VAL 14 1HG1 VAL 14 0.335 10.428 -0.459 103 HG12 VAL 14 2HG1 VAL 14 0.278 11.328 1.056 104 HG13 VAL 14 3HG1 VAL 14 0.421 9.571 1.080 105 HG21 VAL 14 3HG2 VAL 14 1.911 12.419 -0.580 106 HG22 VAL 14 1HG2 VAL 14 2.728 11.145 -1.484 107 HG23 VAL 14 2HG2 VAL 14 3.605 12.060 -0.261 108 H VAL 15 H VAL 15 0.467 11.373 2.972 109 HA VAL 15 HA VAL 15 0.770 9.094 4.889 110 HB VAL 15 HB VAL 15 -1.044 11.480 5.223 111 HG11 VAL 15 1HG1 VAL 15 -0.898 10.709 7.615 112 HG12 VAL 15 2HG1 VAL 15 0.012 9.306 7.058 113 HG13 VAL 15 3HG1 VAL 15 -1.659 9.533 6.542 114 HG21 VAL 15 3HG2 VAL 15 0.742 12.241 6.853 115 HG22 VAL 15 1HG2 VAL 15 1.221 12.341 5.159 116 HG23 VAL 15 2HG2 VAL 15 1.807 11.014 6.163 117 HA PRO 16 HA PRO 16 -2.738 7.986 2.090 118 HB2 PRO 16 2HB PRO 16 -2.048 5.401 1.667 119 HB3 PRO 16 3HB PRO 16 -1.278 6.737 0.787 120 HG2 PRO 16 2HG PRO 16 -0.260 5.182 3.117 121 HG3 PRO 16 3HG PRO 16 0.607 5.763 1.684 122 HD2 PRO 16 2HD PRO 16 0.652 7.025 4.142 123 HD3 PRO 16 3HD PRO 16 0.987 7.845 2.602 124 H GLU 17 H GLU 17 -4.585 6.714 2.524 125 HA GLU 17 HA GLU 17 -4.935 6.021 5.360 126 HB2 GLU 17 2HB GLU 17 -6.705 7.232 4.096 127 HB3 GLU 17 3HB GLU 17 -6.902 5.818 3.059 128 HG2 GLU 17 2HG GLU 17 -7.532 4.445 4.973 129 HG3 GLU 17 3HG GLU 17 -7.223 5.788 6.073 130 H VAL 18 H VAL 18 -5.542 3.995 6.116 131 HA VAL 18 HA VAL 18 -4.998 1.676 4.285 132 HB VAL 18 HB VAL 18 -4.258 1.967 7.215 133 HG11 VAL 18 1HG1 VAL 18 -4.034 -0.307 5.229 134 HG12 VAL 18 2HG1 VAL 18 -4.835 -0.321 6.799 135 HG13 VAL 18 3HG1 VAL 18 -3.076 -0.239 6.707 136 HG21 VAL 18 3HG2 VAL 18 -2.688 3.218 5.939 137 HG22 VAL 18 1HG2 VAL 18 -2.694 2.040 4.625 138 HG23 VAL 18 2HG2 VAL 18 -1.924 1.645 6.161 139 H ARG 19 H ARG 19 -6.515 0.170 4.244 140 HA ARG 19 HA ARG 19 -8.577 0.081 6.417 141 HB2 ARG 19 2HB ARG 19 -9.057 0.008 3.422 142 HB3 ARG 19 3HB ARG 19 -10.279 -0.350 4.645 143 HG2 ARG 19 2HG ARG 19 -9.978 1.900 5.611 144 HG3 ARG 19 3HG ARG 19 -8.765 2.265 4.385 145 HD2 ARG 19 2HD ARG 19 -11.622 1.480 3.738 146 HD3 ARG 19 3HD ARG 19 -11.065 3.150 3.846 147 HE ARG 19 HE ARG 19 -9.322 1.820 2.061 148 HH11 ARG 19 1HH2 ARG 19 -12.680 2.673 2.336 149 HH12 ARG 19 2HH2 ARG 19 -12.903 2.808 0.622 150 HH21 ARG 19 1HH1 ARG 19 -9.626 2.000 -0.156 151 HH22 ARG 19 2HH1 ARG 19 -11.183 2.431 -0.780 152 H LEU 20 H LEU 20 -9.185 -1.912 7.015 153 HA LEU 20 HA LEU 20 -7.696 -4.208 5.865 154 HB2 LEU 20 2HB LEU 20 -9.130 -3.702 8.479 155 HB3 LEU 20 3HB LEU 20 -8.751 -5.345 7.977 156 HG LEU 20 HG LEU 20 -6.985 -4.271 9.436 157 HD11 LEU 20 1HD1 LEU 20 -5.318 -5.443 8.366 158 HD12 LEU 20 2HD1 LEU 20 -5.656 -4.738 6.792 159 HD13 LEU 20 3HD1 LEU 20 -6.660 -6.046 7.407 160 HD21 LEU 20 3HD2 LEU 20 -6.282 -2.656 6.976 161 HD22 LEU 20 1HD2 LEU 20 -5.661 -2.476 8.616 162 HD23 LEU 20 2HD2 LEU 20 -7.315 -1.994 8.245 163 H SER 21 H SER 21 -8.684 -5.995 5.054 164 HA SER 21 HA SER 21 -11.613 -6.250 5.058 165 HB2 SER 21 2HB SER 21 -11.002 -4.672 3.144 166 HB3 SER 21 3HB SER 21 -10.178 -6.043 2.402 167 HG SER 21 HG SER 21 -12.275 -6.018 1.653 168 H LYS 22 H LYS 22 -12.233 -8.233 3.744 169 HA LYS 22 HA LYS 22 -10.071 -10.274 3.567 170 HB2 LYS 22 2HB LYS 22 -12.593 -10.519 5.219 171 HB3 LYS 22 3HB LYS 22 -11.587 -11.895 4.764 172 HG2 LYS 22 2HG LYS 22 -9.624 -10.681 5.813 173 HG3 LYS 22 3HG LYS 22 -10.780 -9.511 6.447 174 HD2 LYS 22 2HD LYS 22 -10.986 -12.492 6.936 175 HD3 LYS 22 3HD LYS 22 -10.180 -11.383 8.047 176 HE2 LYS 22 2HE LYS 22 -12.376 -10.042 8.044 177 HE3 LYS 22 3HE LYS 22 -13.102 -11.455 7.278 178 HZ1 LYS 22 3HZ LYS 22 -13.429 -11.748 9.554 179 HZ2 LYS 22 1HZ LYS 22 -11.853 -11.261 9.948 180 HZ3 LYS 22 2HZ LYS 22 -12.112 -12.756 9.184 181 H SER 23 H SER 23 -10.236 -11.283 1.719 182 HA SER 23 HA SER 23 -11.077 -11.788 -0.435 183 HB2 SER 23 2HB SER 23 -11.574 -13.779 0.839 184 HB3 SER 23 3HB SER 23 -13.057 -13.063 1.466 185 HG SER 23 HG SER 23 -12.447 -13.636 -1.249 186 H LYS 24 H LYS 24 -12.004 -9.223 0.647 187 HA LYS 24 HA LYS 24 -13.531 -7.532 0.105 188 HB2 LYS 24 2HB LYS 24 -14.340 -9.424 -2.121 189 HB3 LYS 24 3HB LYS 24 -14.615 -7.690 -2.065 190 HG2 LYS 24 2HG LYS 24 -11.863 -8.959 -2.014 191 HG3 LYS 24 3HG LYS 24 -12.642 -8.361 -3.479 192 HD2 LYS 24 2HD LYS 24 -12.899 -6.125 -2.201 193 HD3 LYS 24 3HD LYS 24 -11.722 -6.787 -1.069 194 HE2 LYS 24 2HE LYS 24 -10.128 -7.132 -2.915 195 HE3 LYS 24 3HE LYS 24 -11.300 -6.463 -4.048 196 HZ1 LYS 24 3HZ LYS 24 -9.463 -4.981 -2.896 197 HZ2 LYS 24 1HZ LYS 24 -10.653 -4.866 -1.694 198 HZ3 LYS 24 2HZ LYS 24 -11.000 -4.371 -3.281 199 H ASN 25 H ASN 25 -14.361 -10.440 1.284 200 HA ASN 25 HA ASN 25 -17.064 -9.523 2.025 201 HB2 ASN 25 2HB ASN 25 -17.946 -11.877 1.392 202 HB3 ASN 25 3HB ASN 25 -17.717 -10.716 0.086 203 HD21 ASN 25 1HD2 ASN 25 -16.593 -11.544 -1.669 204 HD22 ASN 25 2HD2 ASN 25 -15.477 -12.822 -1.607 205 H GLY 26 H GLY 26 -14.893 -12.370 2.091 206 HA2 GLY 26 2HA GLY 26 -14.012 -12.505 4.623 207 HA3 GLY 26 3HA GLY 26 -15.700 -12.950 4.883 208 H GLN 27 H GLN 27 -12.634 -13.996 3.738 209 HA GLN 27 HA GLN 27 -13.329 -16.769 3.887 210 HB2 GLN 27 2HB GLN 27 -14.404 -16.133 1.689 211 HB3 GLN 27 3HB GLN 27 -12.794 -15.746 1.084 212 HG2 GLN 27 2HG GLN 27 -13.395 -18.437 2.313 213 HG3 GLN 27 3HG GLN 27 -13.708 -18.118 0.612 214 HE21 GLN 27 1HE2 GLN 27 -11.534 -16.618 -0.206 215 HE22 GLN 27 2HE2 GLN 27 -10.090 -17.474 0.043 216 H SER 28 H SER 28 -11.170 -14.206 2.898 217 HA SER 28 HA SER 28 -8.856 -15.789 3.822 218 HB2 SER 28 2HB SER 28 -7.578 -15.215 1.732 219 HB3 SER 28 3HB SER 28 -8.873 -16.380 1.483 220 HG SER 28 HG SER 28 -8.977 -13.578 0.997 221 H GLY 29 H GLY 29 -6.945 -14.461 4.048 222 HA2 GLY 29 2HA GLY 29 -7.495 -11.918 5.251 223 HA3 GLY 29 3HA GLY 29 -5.893 -12.582 4.933 224 H MET 30 H MET 30 -7.241 -9.872 4.482 225 HA MET 30 HA MET 30 -5.939 -9.368 1.899 226 HB2 MET 30 2HB MET 30 -8.237 -10.055 1.250 227 HB3 MET 30 3HB MET 30 -8.887 -8.763 2.257 228 HG2 MET 30 2HG MET 30 -7.716 -7.079 0.917 229 HG3 MET 30 3HG MET 30 -6.979 -8.351 -0.061 230 HE1 MET 30 3HE MET 30 -9.487 -9.523 -2.465 231 HE2 MET 30 1HE MET 30 -8.595 -10.299 -1.149 232 HE3 MET 30 2HE MET 30 -7.813 -9.075 -2.146 233 H ALA 31 H ALA 31 -5.523 -7.181 1.545 234 HA ALA 31 HA ALA 31 -6.298 -5.228 3.653 235 HB1 ALA 31 3HB ALA 31 -3.988 -4.488 3.928 236 HB2 ALA 31 1HB ALA 31 -3.434 -5.704 2.777 237 HB3 ALA 31 2HB ALA 31 -4.109 -6.200 4.327 238 H LYS 32 H LYS 32 -6.799 -3.333 2.775 239 HA LYS 32 HA LYS 32 -6.022 -2.818 -0.074 240 HB2 LYS 32 2HB LYS 32 -8.529 -3.139 0.668 241 HB3 LYS 32 3HB LYS 32 -8.374 -1.493 1.286 242 HG2 LYS 32 2HG LYS 32 -7.684 -0.693 -0.915 243 HG3 LYS 32 3HG LYS 32 -7.709 -2.339 -1.552 244 HD2 LYS 32 2HD LYS 32 -10.126 -2.486 -1.069 245 HD3 LYS 32 3HD LYS 32 -10.101 -0.823 -0.478 246 HE2 LYS 32 2HE LYS 32 -9.349 -0.036 -2.687 247 HE3 LYS 32 3HE LYS 32 -9.340 -1.697 -3.282 248 HZ1 LYS 32 3HZ LYS 32 -11.442 -0.012 -3.427 249 HZ2 LYS 32 1HZ LYS 32 -11.816 -0.911 -2.038 250 HZ3 LYS 32 2HZ LYS 32 -11.545 -1.705 -3.516 251 H PHE 33 H PHE 33 -4.924 -1.053 -0.513 252 HA PHE 33 HA PHE 33 -4.524 1.006 1.642 253 HB2 PHE 33 2HB PHE 33 -2.648 -0.100 -0.464 254 HB3 PHE 33 3HB PHE 33 -2.334 1.420 0.376 255 HD1 PHE 33 HD2 PHE 33 -2.855 -2.233 0.863 256 HD2 PHE 33 HD1 PHE 33 -1.584 1.467 2.638 257 HE1 PHE 33 HE2 PHE 33 -1.957 -3.475 2.813 258 HE2 PHE 33 HE1 PHE 33 -0.686 0.224 4.586 259 HZ PHE 33 HZ PHE 33 -0.871 -2.247 4.674 260 H TYR 34 H TYR 34 -5.062 3.030 1.131 261 HA TYR 34 HA TYR 34 -5.758 3.670 -1.729 262 HB2 TYR 34 2HB TYR 34 -7.672 3.605 -0.110 263 HB3 TYR 34 3HB TYR 34 -6.893 4.899 0.803 264 HD1 TYR 34 HD1 TYR 34 -8.236 4.006 -2.562 265 HD2 TYR 34 HD2 TYR 34 -7.094 7.163 0.119 266 HE1 TYR 34 HE1 TYR 34 -9.217 5.677 -4.110 267 HE2 TYR 34 HE2 TYR 34 -8.074 8.833 -1.430 268 HH TYR 34 HH TYR 34 -10.184 8.083 -3.842 269 H PHE 35 H PHE 35 -4.327 5.038 -2.616 270 HA PHE 35 HA PHE 35 -2.874 6.944 -0.804 271 HB2 PHE 35 2HB PHE 35 -2.009 5.971 -3.556 272 HB3 PHE 35 3HB PHE 35 -1.122 7.055 -2.497 273 HD1 PHE 35 HD2 PHE 35 -2.405 3.534 -2.756 274 HD2 PHE 35 HD1 PHE 35 0.335 6.226 -0.820 275 HE1 PHE 35 HE2 PHE 35 -1.189 1.604 -1.778 276 HE2 PHE 35 HE1 PHE 35 1.550 4.295 0.139 277 HZ PHE 35 HZ PHE 35 0.792 1.986 -0.337 278 H LEU 36 H LEU 36 -3.494 8.923 -0.879 279 HA LEU 36 HA LEU 36 -4.991 9.991 -3.208 280 HB2 LEU 36 2HB LEU 36 -5.981 10.200 -0.923 281 HB3 LEU 36 3HB LEU 36 -4.597 11.174 -0.431 282 HG LEU 36 HG LEU 36 -5.152 12.809 -2.235 283 HD11 LEU 36 1HD1 LEU 36 -7.300 10.774 -2.767 284 HD12 LEU 36 2HD1 LEU 36 -6.333 11.714 -3.906 285 HD13 LEU 36 3HD1 LEU 36 -7.666 12.476 -3.050 286 HD21 LEU 36 3HD2 LEU 36 -7.528 12.259 -0.438 287 HD22 LEU 36 1HD2 LEU 36 -7.023 13.817 -1.093 288 HD23 LEU 36 2HD2 LEU 36 -6.034 13.010 0.125 289 H GLU 37 H GLU 37 -3.819 10.952 -4.652 290 HA GLU 37 HA GLU 37 -2.193 12.181 -5.763 291 HB2 GLU 37 2HB GLU 37 -2.585 13.835 -3.270 292 HB3 GLU 37 3HB GLU 37 -1.643 14.376 -4.660 293 HG2 GLU 37 2HG GLU 37 -3.605 14.108 -6.122 294 HG3 GLU 37 3HG GLU 37 -4.554 13.524 -4.754 295 HA PRO 38 HA PRO 38 1.460 10.671 -3.373 296 HB2 PRO 38 2HB PRO 38 2.165 8.785 -5.406 297 HB3 PRO 38 3HB PRO 38 1.455 8.428 -3.825 298 HG2 PRO 38 2HG PRO 38 0.204 8.111 -6.328 299 HG3 PRO 38 3HG PRO 38 -0.571 8.016 -4.743 300 HD2 PRO 38 2HD PRO 38 -0.582 10.266 -6.705 301 HD3 PRO 38 3HD PRO 38 -1.789 9.834 -5.472 302 H THR 39 H THR 39 0.885 12.598 -5.772 303 HA THR 39 HA THR 39 2.105 13.772 -7.414 304 HB THR 39 HB THR 39 3.856 14.983 -6.428 305 HG1 THR 39 HG1 THR 39 4.313 12.656 -4.881 306 HG21 THR 39 3HG2 THR 39 2.350 13.831 -4.063 307 HG22 THR 39 1HG2 THR 39 1.740 15.112 -5.112 308 HG23 THR 39 2HG2 THR 39 3.175 15.387 -4.124 309 H ILE 40 H ILE 40 2.436 10.742 -7.365 310 HA ILE 40 HA ILE 40 5.192 10.443 -8.425 311 HB ILE 40 HB ILE 40 4.188 8.722 -6.875 312 HG12 ILE 40 2HG1 ILE 40 4.734 7.517 -9.590 313 HG13 ILE 40 3HG1 ILE 40 6.011 8.301 -8.662 314 HG21 ILE 40 1HG2 ILE 40 2.525 7.886 -9.255 315 HG22 ILE 40 2HG2 ILE 40 1.877 8.893 -7.959 316 HG23 ILE 40 3HG2 ILE 40 2.453 7.265 -7.605 317 HD11 ILE 40 3HD1 ILE 40 4.279 6.084 -7.546 318 HD12 ILE 40 1HD1 ILE 40 5.751 6.755 -6.841 319 HD13 ILE 40 2HD1 ILE 40 5.838 5.801 -8.321 320 H LEU 41 H LEU 41 2.269 11.438 -9.595 321 HA LEU 41 HA LEU 41 2.350 10.042 -12.191 322 HB2 LEU 41 2HB LEU 41 0.695 12.441 -11.316 323 HB3 LEU 41 3HB LEU 41 0.425 11.451 -12.750 324 HG LEU 41 HG LEU 41 0.303 10.439 -9.893 325 HD11 LEU 41 1HD1 LEU 41 -1.877 11.068 -11.907 326 HD12 LEU 41 2HD1 LEU 41 -1.592 11.897 -10.377 327 HD13 LEU 41 3HD1 LEU 41 -2.140 10.220 -10.383 328 HD21 LEU 41 3HD2 LEU 41 -0.861 8.490 -11.216 329 HD22 LEU 41 1HD2 LEU 41 0.896 8.573 -11.191 330 HD23 LEU 41 2HD2 LEU 41 0.007 9.143 -12.603 331 H ALA 42 H ALA 42 3.958 12.609 -10.749 332 HA ALA 42 HA ALA 42 4.360 14.126 -13.284 333 HB1 ALA 42 3HB ALA 42 5.365 15.817 -11.928 334 HB2 ALA 42 1HB ALA 42 5.585 14.709 -10.572 335 HB3 ALA 42 2HB ALA 42 3.967 15.256 -11.012 336 H LYS 43 H LYS 43 5.827 11.712 -11.306 337 HA LYS 43 HA LYS 43 8.482 12.084 -12.667 338 HB2 LYS 43 2HB LYS 43 8.389 11.992 -10.133 339 HB3 LYS 43 3HB LYS 43 7.827 10.324 -10.281 340 HG2 LYS 43 2HG LYS 43 9.860 9.727 -11.516 341 HG3 LYS 43 3HG LYS 43 10.412 11.397 -11.446 342 HD2 LYS 43 2HD LYS 43 10.453 11.276 -8.977 343 HD3 LYS 43 3HD LYS 43 9.928 9.595 -9.058 344 HE2 LYS 43 2HE LYS 43 11.959 9.005 -10.315 345 HE3 LYS 43 3HE LYS 43 12.483 10.688 -10.274 346 HZ1 LYS 43 3HZ LYS 43 12.826 10.611 -7.996 347 HZ2 LYS 43 1HZ LYS 43 13.397 9.100 -8.516 348 HZ3 LYS 43 2HZ LYS 43 11.868 9.224 -7.787 349 H GLU 44 H GLU 44 5.859 9.792 -12.027 350 HA GLU 44 HA GLU 44 6.800 8.154 -14.329 351 HB2 GLU 44 2HB GLU 44 6.238 7.095 -11.548 352 HB3 GLU 44 3HB GLU 44 6.312 6.071 -12.983 353 HG2 GLU 44 2HG GLU 44 8.609 6.843 -13.425 354 HG3 GLU 44 3HG GLU 44 8.537 7.879 -12.005 355 H SER 45 H SER 45 5.170 7.269 -15.487 356 HA SER 45 HA SER 45 2.472 8.273 -15.031 357 HB2 SER 45 2HB SER 45 3.270 8.117 -17.315 358 HB3 SER 45 3HB SER 45 3.639 6.407 -17.120 359 HG SER 45 HG SER 45 1.448 7.333 -18.031 360 H THR 46 H THR 46 0.609 6.736 -15.178 361 HA THR 46 HA THR 46 0.678 4.874 -13.005 362 HB THR 46 HB THR 46 -1.607 4.255 -13.787 363 HG1 THR 46 HG1 THR 46 -1.699 4.345 -15.901 364 HG21 THR 46 3HG2 THR 46 -2.591 6.515 -13.604 365 HG22 THR 46 1HG2 THR 46 -1.002 7.224 -13.895 366 HG23 THR 46 2HG2 THR 46 -1.293 6.283 -12.433 367 H ASP 47 H ASP 47 1.069 4.543 -16.475 368 HA ASP 47 HA ASP 47 0.817 1.686 -16.629 369 HB2 ASP 47 2HB ASP 47 0.763 3.330 -18.570 370 HB3 ASP 47 3HB ASP 47 2.518 3.444 -18.424 371 H ASP 48 H ASP 48 3.521 3.859 -15.951 372 HA ASP 48 HA ASP 48 5.584 1.841 -16.083 373 HB2 ASP 48 2HB ASP 48 5.451 4.554 -14.725 374 HB3 ASP 48 3HB ASP 48 6.897 3.545 -14.708 375 H ILE 49 H ILE 49 3.178 2.650 -13.750 376 HA ILE 49 HA ILE 49 4.625 1.308 -11.531 377 HB ILE 49 HB ILE 49 1.897 2.643 -11.645 378 HG12 ILE 49 2HG1 ILE 49 4.449 3.478 -10.229 379 HG13 ILE 49 3HG1 ILE 49 3.968 4.097 -11.807 380 HG21 ILE 49 1HG2 ILE 49 3.420 1.290 -9.404 381 HG22 ILE 49 2HG2 ILE 49 1.788 0.933 -9.968 382 HG23 ILE 49 3HG2 ILE 49 2.114 2.437 -9.108 383 HD11 ILE 49 3HD1 ILE 49 3.271 5.622 -9.983 384 HD12 ILE 49 1HD1 ILE 49 2.321 4.319 -9.270 385 HD13 ILE 49 2HD1 ILE 49 1.879 4.971 -10.848 386 H THR 50 H THR 50 4.412 -0.787 -11.177 387 HA THR 50 HA THR 50 1.889 -2.203 -11.894 388 HB THR 50 HB THR 50 3.076 -2.787 -13.820 389 HG1 THR 50 HG1 THR 50 4.316 -4.727 -12.269 390 HG21 THR 50 3HG2 THR 50 5.145 -1.651 -13.459 391 HG22 THR 50 1HG2 THR 50 5.564 -3.345 -13.711 392 HG23 THR 50 2HG2 THR 50 5.550 -2.675 -12.080 393 H GLY 51 H GLY 51 3.781 -1.355 -9.516 394 HA2 GLY 51 2HA GLY 51 3.041 -3.520 -7.781 395 HA3 GLY 51 3HA GLY 51 4.751 -3.646 -8.190 396 H MET 52 H MET 52 4.315 -3.285 -5.631 397 HA MET 52 HA MET 52 5.105 -0.447 -5.138 398 HB2 MET 52 2HB MET 52 2.650 -0.904 -4.555 399 HB3 MET 52 3HB MET 52 3.258 -1.965 -3.283 400 HG2 MET 52 2HG MET 52 4.773 0.164 -2.711 401 HG3 MET 52 3HG MET 52 3.459 1.016 -3.523 402 HE1 MET 52 3HE MET 52 1.080 -1.153 -2.828 403 HE2 MET 52 1HE MET 52 0.984 0.605 -3.016 404 HE3 MET 52 2HE MET 52 0.335 -0.167 -1.572 405 H TYR 53 H TYR 53 6.621 -0.200 -3.550 406 HA TYR 53 HA TYR 53 7.855 -2.718 -2.482 407 HB2 TYR 53 2HB TYR 53 9.050 0.011 -3.054 408 HB3 TYR 53 3HB TYR 53 9.911 -1.304 -2.249 409 HD1 TYR 53 HD2 TYR 53 8.320 -0.233 -5.419 410 HD2 TYR 53 HD1 TYR 53 10.685 -3.235 -3.462 411 HE1 TYR 53 HE2 TYR 53 8.874 -1.231 -7.623 412 HE2 TYR 53 HE1 TYR 53 11.238 -4.235 -5.662 413 HH TYR 53 HH TYR 53 11.047 -2.788 -8.439 414 H LEU 54 H LEU 54 7.289 -3.067 -0.465 415 HA LEU 54 HA LEU 54 6.690 -0.816 1.383 416 HB2 LEU 54 2HB LEU 54 6.412 -3.808 1.814 417 HB3 LEU 54 3HB LEU 54 5.767 -2.531 2.844 418 HG LEU 54 HG LEU 54 4.997 -2.977 -0.056 419 HD11 LEU 54 1HD1 LEU 54 3.664 -3.695 2.561 420 HD12 LEU 54 2HD1 LEU 54 4.031 -4.757 1.202 421 HD13 LEU 54 3HD1 LEU 54 2.755 -3.549 1.057 422 HD21 LEU 54 3HD2 LEU 54 4.255 -0.936 2.036 423 HD22 LEU 54 1HD2 LEU 54 3.089 -1.372 0.791 424 HD23 LEU 54 2HD2 LEU 54 4.645 -0.691 0.333 425 H ILE 55 H ILE 55 8.363 -0.031 2.470 426 HA ILE 55 HA ILE 55 10.689 -1.786 3.121 427 HB ILE 55 HB ILE 55 10.326 1.228 3.183 428 HG12 ILE 55 2HG1 ILE 55 12.116 1.100 1.421 429 HG13 ILE 55 3HG1 ILE 55 11.978 -0.656 1.463 430 HG21 ILE 55 1HG2 ILE 55 12.851 1.143 3.632 431 HG22 ILE 55 2HG2 ILE 55 12.600 -0.543 4.083 432 HG23 ILE 55 3HG2 ILE 55 11.795 0.738 4.986 433 HD11 ILE 55 3HD1 ILE 55 10.603 0.777 -0.304 434 HD12 ILE 55 1HD1 ILE 55 9.472 0.950 1.038 435 HD13 ILE 55 2HD1 ILE 55 9.899 -0.653 0.439 436 H ASP 56 H ASP 56 10.406 -2.812 4.989 437 HA ASP 56 HA ASP 56 8.919 -1.590 7.232 438 HB2 ASP 56 2HB ASP 56 10.225 -4.299 6.827 439 HB3 ASP 56 3HB ASP 56 9.463 -3.810 8.340 440 H ASP 57 H ASP 57 11.766 -3.595 7.639 441 HA ASP 57 HA ASP 57 13.499 -1.374 8.436 442 HB2 ASP 57 2HB ASP 57 12.300 -3.255 10.495 443 HB3 ASP 57 3HB ASP 57 13.780 -2.340 10.786 444 H GLU 58 H GLU 58 13.120 -4.873 9.185 445 HA GLU 58 HA GLU 58 15.944 -5.299 8.266 446 HB2 GLU 58 2HB GLU 58 14.128 -7.030 9.985 447 HB3 GLU 58 3HB GLU 58 15.772 -7.454 9.507 448 HG2 GLU 58 2HG GLU 58 15.021 -4.974 11.091 449 HG3 GLU 58 3HG GLU 58 15.679 -6.454 11.790 450 H GLY 59 H GLY 59 13.172 -5.163 6.817 451 HA2 GLY 59 2HA GLY 59 13.848 -7.014 4.723 452 HA3 GLY 59 3HA GLY 59 12.507 -7.645 5.679 453 H GLU 60 H GLU 60 11.905 -7.178 3.153 454 HA GLU 60 HA GLU 60 10.064 -4.865 3.290 455 HB2 GLU 60 2HB GLU 60 10.734 -4.047 1.069 456 HB3 GLU 60 3HB GLU 60 12.081 -3.953 2.201 457 HG2 GLU 60 2HG GLU 60 12.960 -6.100 1.300 458 HG3 GLU 60 3HG GLU 60 11.637 -6.137 0.134 459 H ILE 61 H ILE 61 8.258 -5.104 1.993 460 HA ILE 61 HA ILE 61 7.920 -7.794 0.693 461 HB ILE 61 HB ILE 61 5.815 -6.057 2.023 462 HG12 ILE 61 2HG1 ILE 61 5.825 -8.381 3.429 463 HG13 ILE 61 3HG1 ILE 61 7.518 -8.359 2.945 464 HG21 ILE 61 1HG2 ILE 61 4.824 -7.268 0.216 465 HG22 ILE 61 2HG2 ILE 61 4.450 -8.175 1.683 466 HG23 ILE 61 3HG2 ILE 61 5.736 -8.728 0.608 467 HD11 ILE 61 3HD1 ILE 61 7.469 -5.881 3.793 468 HD12 ILE 61 1HD1 ILE 61 7.539 -7.186 4.975 469 HD13 ILE 61 2HD1 ILE 61 6.009 -6.382 4.637 470 H ILE 62 H ILE 62 7.390 -7.815 -1.360 471 HA ILE 62 HA ILE 62 6.597 -5.249 -2.706 472 HB ILE 62 HB ILE 62 8.136 -7.630 -3.795 473 HG12 ILE 62 2HG1 ILE 62 9.796 -5.562 -4.174 474 HG13 ILE 62 3HG1 ILE 62 8.890 -4.865 -2.836 475 HG21 ILE 62 1HG2 ILE 62 8.373 -6.056 -5.797 476 HG22 ILE 62 2HG2 ILE 62 7.047 -5.132 -5.092 477 HG23 ILE 62 3HG2 ILE 62 6.794 -6.810 -5.570 478 HD11 ILE 62 3HD1 ILE 62 9.480 -6.702 -1.386 479 HD12 ILE 62 1HD1 ILE 62 10.958 -6.150 -2.160 480 HD13 ILE 62 2HD1 ILE 62 10.167 -7.615 -2.727 481 H THR 63 H THR 63 4.720 -5.237 -3.729 482 HA THR 63 HA THR 63 3.335 -7.843 -4.299 483 HB THR 63 HB THR 63 2.231 -6.838 -2.409 484 HG1 THR 63 HG1 THR 63 0.200 -6.350 -3.429 485 HG21 THR 63 3HG2 THR 63 1.466 -4.556 -2.361 486 HG22 THR 63 1HG2 THR 63 1.920 -4.307 -4.047 487 HG23 THR 63 2HG2 THR 63 3.168 -4.518 -2.819 488 H ARG 64 H ARG 64 2.662 -8.082 -6.310 489 HA ARG 64 HA ARG 64 3.003 -5.851 -8.230 490 HB2 ARG 64 2HB ARG 64 3.813 -8.337 -8.537 491 HB3 ARG 64 3HB ARG 64 2.129 -8.659 -8.951 492 HG2 ARG 64 2HG ARG 64 2.953 -8.122 -11.065 493 HG3 ARG 64 3HG ARG 64 2.451 -6.522 -10.522 494 HD2 ARG 64 2HD ARG 64 4.720 -6.404 -11.441 495 HD3 ARG 64 3HD ARG 64 4.770 -6.089 -9.708 496 HE ARG 64 HE ARG 64 5.184 -8.902 -10.349 497 HH11 ARG 64 1HH2 ARG 64 6.644 -5.766 -10.055 498 HH12 ARG 64 2HH2 ARG 64 8.226 -6.404 -9.751 499 HH21 ARG 64 1HH1 ARG 64 7.243 -9.717 -9.951 500 HH22 ARG 64 2HH1 ARG 64 8.563 -8.626 -9.691 501 H GLU 65 H GLU 65 0.649 -6.810 -6.217 502 HA GLU 65 HA GLU 65 -1.626 -6.616 -8.112 503 HB2 GLU 65 2HB GLU 65 -1.511 -7.004 -5.100 504 HB3 GLU 65 3HB GLU 65 -3.001 -6.953 -6.043 505 HG2 GLU 65 2HG GLU 65 -0.743 -8.928 -6.493 506 HG3 GLU 65 3HG GLU 65 -2.228 -9.287 -5.614 507 H VAL 66 H VAL 66 -0.827 -4.408 -8.671 508 HA VAL 66 HA VAL 66 -1.926 -2.364 -6.761 509 HB VAL 66 HB VAL 66 0.498 -2.198 -8.573 510 HG11 VAL 66 1HG1 VAL 66 0.612 0.164 -7.551 511 HG12 VAL 66 2HG1 VAL 66 -1.086 -0.064 -7.134 512 HG13 VAL 66 3HG1 VAL 66 -0.583 -0.095 -8.824 513 HG21 VAL 66 3HG2 VAL 66 0.671 -3.260 -6.269 514 HG22 VAL 66 1HG2 VAL 66 0.211 -1.694 -5.602 515 HG23 VAL 66 2HG2 VAL 66 1.704 -1.853 -6.521 516 H LYS 67 H LYS 67 -3.431 -1.070 -7.579 517 HA LYS 67 HA LYS 67 -3.777 -0.874 -10.547 518 HB2 LYS 67 2HB LYS 67 -5.922 -1.442 -8.487 519 HB3 LYS 67 3HB LYS 67 -6.243 -0.986 -10.159 520 HG2 LYS 67 2HG LYS 67 -5.025 -2.948 -10.962 521 HG3 LYS 67 3HG LYS 67 -4.597 -3.386 -9.311 522 HD2 LYS 67 2HD LYS 67 -6.472 -4.751 -9.785 523 HD3 LYS 67 3HD LYS 67 -7.141 -3.417 -8.847 524 HE2 LYS 67 2HE LYS 67 -7.995 -2.341 -10.806 525 HE3 LYS 67 3HE LYS 67 -7.075 -3.396 -11.876 526 HZ1 LYS 67 3HZ LYS 67 -8.904 -4.679 -10.012 527 HZ2 LYS 67 1HZ LYS 67 -8.522 -5.080 -11.616 528 HZ3 LYS 67 2HZ LYS 67 -9.604 -3.810 -11.295 529 H GLY 68 H GLY 68 -4.440 1.086 -11.261 530 HA2 GLY 68 2HA GLY 68 -4.236 3.338 -9.380 531 HA3 GLY 68 3HA GLY 68 -4.276 3.450 -11.133 532 H LYS 69 H LYS 69 -5.827 4.909 -9.115 533 HA LYS 69 HA LYS 69 -8.608 4.051 -9.832 534 HB2 LYS 69 2HB LYS 69 -7.470 5.577 -7.485 535 HB3 LYS 69 3HB LYS 69 -9.180 5.685 -7.894 536 HG2 LYS 69 2HG LYS 69 -7.911 2.959 -7.690 537 HG3 LYS 69 3HG LYS 69 -8.320 3.819 -6.207 538 HD2 LYS 69 2HD LYS 69 -10.644 4.079 -6.985 539 HD3 LYS 69 3HD LYS 69 -10.250 3.229 -8.476 540 HE2 LYS 69 2HE LYS 69 -11.271 1.661 -6.933 541 HE3 LYS 69 3HE LYS 69 -9.569 1.250 -7.120 542 HZ1 LYS 69 3HZ LYS 69 -9.719 1.246 -4.869 543 HZ2 LYS 69 1HZ LYS 69 -10.968 2.392 -4.824 544 HZ3 LYS 69 2HZ LYS 69 -9.369 2.893 -5.090 545 H PHE 70 H PHE 70 -9.760 5.297 -11.100 546 HA PHE 70 HA PHE 70 -8.629 7.900 -12.003 547 HB2 PHE 70 2HB PHE 70 -10.880 6.251 -13.193 548 HB3 PHE 70 3HB PHE 70 -10.126 7.674 -13.913 549 HD1 PHE 70 HD2 PHE 70 -7.672 7.598 -14.528 550 HD2 PHE 70 HD1 PHE 70 -9.894 4.092 -13.420 551 HE1 PHE 70 HE2 PHE 70 -5.924 6.167 -15.551 552 HE2 PHE 70 HE1 PHE 70 -8.144 2.661 -14.443 553 HZ PHE 70 HZ PHE 70 -6.160 3.699 -15.507 554 H ILE 71 H ILE 71 -9.485 9.715 -11.315 555 HA ILE 71 HA ILE 71 -12.305 9.727 -10.282 556 HB ILE 71 HB ILE 71 -9.922 11.278 -9.233 557 HG12 ILE 71 2HG1 ILE 71 -11.660 9.211 -7.854 558 HG13 ILE 71 3HG1 ILE 71 -10.121 8.817 -8.620 559 HG21 ILE 71 1HG2 ILE 71 -11.630 11.990 -7.493 560 HG22 ILE 71 2HG2 ILE 71 -12.871 11.326 -8.554 561 HG23 ILE 71 3HG2 ILE 71 -11.874 12.674 -9.100 562 HD11 ILE 71 3HD1 ILE 71 -8.935 10.331 -7.131 563 HD12 ILE 71 1HD1 ILE 71 -9.919 9.238 -6.157 564 HD13 ILE 71 2HD1 ILE 71 -10.454 10.896 -6.435 565 H ASN 72 H ASN 72 -13.576 11.182 -11.131 566 HA ASN 72 HA ASN 72 -14.410 12.818 -12.515 567 HB2 ASN 72 2HB ASN 72 -13.559 14.970 -12.240 568 HB3 ASN 72 3HB ASN 72 -12.990 14.146 -10.792 569 HD21 ASN 72 1HD2 ASN 72 -10.742 14.060 -10.457 570 HD22 ASN 72 2HD2 ASN 72 -9.591 14.600 -11.583 571 H GLY 73 H GLY 73 -12.683 10.689 -13.651 572 HA2 GLY 73 2HA GLY 73 -12.343 10.158 -15.936 573 HA3 GLY 73 3HA GLY 73 -12.505 11.863 -16.342 574 H ARG 74 H ARG 74 -10.270 10.654 -13.874 575 HA ARG 74 HA ARG 74 -8.017 10.515 -15.644 576 HB2 ARG 74 2HB ARG 74 -6.854 12.582 -14.504 577 HB3 ARG 74 3HB ARG 74 -7.952 12.833 -15.858 578 HG2 ARG 74 2HG ARG 74 -9.762 13.405 -14.368 579 HG3 ARG 74 3HG ARG 74 -8.804 12.972 -12.952 580 HD2 ARG 74 2HD ARG 74 -8.048 15.163 -14.914 581 HD3 ARG 74 3HD ARG 74 -8.874 15.452 -13.382 582 HE ARG 74 HE ARG 74 -6.450 13.928 -12.972 583 HH11 ARG 74 1HH2 ARG 74 -7.712 17.092 -13.639 584 HH12 ARG 74 2HH2 ARG 74 -6.370 17.910 -12.909 585 HH21 ARG 74 1HH1 ARG 74 -4.710 15.001 -12.028 586 HH22 ARG 74 2HH1 ARG 74 -4.681 16.733 -12.000 587 HA PRO 75 HA PRO 75 -6.395 8.374 -12.106 588 HB2 PRO 75 2HB PRO 75 -3.699 8.495 -12.629 589 HB3 PRO 75 3HB PRO 75 -4.822 7.445 -13.515 590 HG2 PRO 75 2HG PRO 75 -3.699 10.098 -14.303 591 HG3 PRO 75 3HG PRO 75 -3.959 8.646 -15.287 592 HD2 PRO 75 2HD PRO 75 -5.659 10.776 -15.346 593 HD3 PRO 75 3HD PRO 75 -6.200 9.105 -15.622 594 H THR 76 H THR 76 -7.031 9.949 -10.522 595 HA THR 76 HA THR 76 -4.925 11.916 -9.703 596 HB THR 76 HB THR 76 -7.739 11.729 -8.613 597 HG1 THR 76 HG1 THR 76 -8.013 11.988 -10.785 598 HG21 THR 76 3HG2 THR 76 -5.693 13.947 -8.850 599 HG22 THR 76 1HG2 THR 76 -6.167 13.113 -7.370 600 HG23 THR 76 2HG2 THR 76 -7.324 14.149 -8.208 601 H ALA 77 H ALA 77 -6.296 8.872 -8.859 602 HA ALA 77 HA ALA 77 -4.779 8.934 -6.279 603 HB1 ALA 77 3HB ALA 77 -7.182 9.406 -5.791 604 HB2 ALA 77 1HB ALA 77 -6.624 7.891 -5.087 605 HB3 ALA 77 2HB ALA 77 -7.607 7.871 -6.552 606 H ILE 78 H ILE 78 -4.088 6.896 -5.592 607 HA ILE 78 HA ILE 78 -4.459 4.633 -7.504 608 HB ILE 78 HB ILE 78 -1.848 5.649 -6.355 609 HG12 ILE 78 2HG1 ILE 78 -2.743 5.251 -9.226 610 HG13 ILE 78 3HG1 ILE 78 -2.829 6.795 -8.385 611 HG21 ILE 78 1HG2 ILE 78 -0.953 3.706 -7.815 612 HG22 ILE 78 2HG2 ILE 78 -2.594 3.066 -7.736 613 HG23 ILE 78 3HG2 ILE 78 -1.663 3.291 -6.255 614 HD11 ILE 78 3HD1 ILE 78 -0.234 5.269 -8.537 615 HD12 ILE 78 1HD1 ILE 78 -0.487 6.988 -8.236 616 HD13 ILE 78 2HD1 ILE 78 -0.746 6.331 -9.849 617 H GLU 79 H GLU 79 -4.772 2.715 -6.569 618 HA GLU 79 HA GLU 79 -4.323 2.469 -3.609 619 HB2 GLU 79 2HB GLU 79 -6.382 1.289 -3.375 620 HB3 GLU 79 3HB GLU 79 -6.750 2.757 -4.271 621 HG2 GLU 79 2HG GLU 79 -7.881 1.125 -5.518 622 HG3 GLU 79 3HG GLU 79 -6.361 1.266 -6.397 623 H ALA 80 H ALA 80 -4.190 0.228 -2.896 624 HA ALA 80 HA ALA 80 -3.302 -1.735 -4.944 625 HB1 ALA 80 3HB ALA 80 -1.627 -1.070 -2.508 626 HB2 ALA 80 1HB ALA 80 -1.298 -0.435 -4.121 627 HB3 ALA 80 2HB ALA 80 -1.217 -2.171 -3.822 628 H THR 81 H THR 81 -3.438 -3.873 -4.233 629 HA THR 81 HA THR 81 -4.795 -4.318 -1.592 630 HB THR 81 HB THR 81 -5.347 -5.772 -4.196 631 HG1 THR 81 HG1 THR 81 -6.604 -3.674 -2.809 632 HG21 THR 81 3HG2 THR 81 -6.535 -5.942 -1.416 633 HG22 THR 81 1HG2 THR 81 -5.668 -7.214 -2.279 634 HG23 THR 81 2HG2 THR 81 -7.257 -6.691 -2.839 635 H VAL 82 H VAL 82 -3.762 -5.687 -0.332 636 HA VAL 82 HA VAL 82 -1.712 -7.532 -1.523 637 HB VAL 82 HB VAL 82 -1.801 -6.109 1.149 638 HG11 VAL 82 1HG1 VAL 82 -1.003 -8.301 1.658 639 HG12 VAL 82 2HG1 VAL 82 0.445 -7.316 1.453 640 HG13 VAL 82 3HG1 VAL 82 -0.081 -8.389 0.156 641 HG21 VAL 82 3HG2 VAL 82 0.283 -6.136 -1.051 642 HG22 VAL 82 1HG2 VAL 82 0.246 -5.083 0.363 643 HG23 VAL 82 2HG2 VAL 82 -0.967 -4.900 -0.905 644 H ILE 83 H ILE 83 -1.946 -9.624 -1.184 645 HA ILE 83 HA ILE 83 -4.260 -10.590 0.409 646 HB ILE 83 HB ILE 83 -2.416 -12.200 -1.379 647 HG12 ILE 83 2HG1 ILE 83 -3.327 -10.417 -2.747 648 HG13 ILE 83 3HG1 ILE 83 -4.233 -11.885 -3.102 649 HG21 ILE 83 1HG2 ILE 83 -3.882 -13.423 0.224 650 HG22 ILE 83 2HG2 ILE 83 -4.320 -13.734 -1.455 651 HG23 ILE 83 3HG2 ILE 83 -5.283 -12.620 -0.485 652 HD11 ILE 83 3HD1 ILE 83 -5.088 -9.488 -1.487 653 HD12 ILE 83 1HD1 ILE 83 -5.881 -11.048 -1.265 654 HD13 ILE 83 2HD1 ILE 83 -5.916 -10.259 -2.839 655 H LEU 84 H LEU 84 -3.969 -11.363 2.376 656 HA LEU 84 HA LEU 84 -1.240 -12.268 3.249 657 HB2 LEU 84 2HB LEU 84 -3.566 -11.305 4.953 658 HB3 LEU 84 3HB LEU 84 -1.936 -11.685 5.511 659 HG LEU 84 HG LEU 84 -2.611 -9.511 3.505 660 HD11 LEU 84 1HD1 LEU 84 -1.971 -7.982 5.378 661 HD12 LEU 84 2HD1 LEU 84 -1.894 -9.379 6.451 662 HD13 LEU 84 3HD1 LEU 84 -3.430 -8.911 5.723 663 HD21 LEU 84 3HD2 LEU 84 -0.172 -8.861 4.218 664 HD22 LEU 84 1HD2 LEU 84 -0.394 -10.155 3.047 665 HD23 LEU 84 2HD2 LEU 84 -0.049 -10.541 4.733 666 H ASN 85 H ASN 85 -1.862 -14.306 2.165 667 HA ASN 85 HA ASN 85 -3.876 -15.954 3.614 668 HB2 ASN 85 2HB ASN 85 -2.290 -16.375 1.061 669 HB3 ASN 85 3HB ASN 85 -3.302 -17.627 1.786 670 HD21 ASN 85 1HD2 ASN 85 -3.897 -16.528 -0.803 671 HD22 ASN 85 2HD2 ASN 85 -5.354 -15.663 -0.690 672 H SER 86 H SER 86 -0.712 -15.148 4.031 673 HA SER 86 HA SER 86 0.032 -17.886 5.043 674 HB2 SER 86 2HB SER 86 2.080 -15.752 4.504 675 HB3 SER 86 3HB SER 86 2.247 -17.504 4.454 676 HG SER 86 HG SER 86 2.123 -16.275 2.390 677 H GLN 87 H GLN 87 0.790 -18.070 7.080 678 HA GLN 87 HA GLN 87 -0.024 -16.133 9.026 679 HB2 GLN 87 2HB GLN 87 0.945 -18.848 9.003 680 HB3 GLN 87 3HB GLN 87 1.919 -17.957 10.171 681 HG2 GLN 87 2HG GLN 87 -0.177 -17.096 11.205 682 HG3 GLN 87 3HG GLN 87 -1.106 -18.106 10.099 683 HE21 GLN 87 1HE2 GLN 87 -0.240 -18.110 13.214 684 HE22 GLN 87 2HE2 GLN 87 0.029 -19.765 13.475 685 HA PRO 88 HA PRO 88 4.850 -15.480 9.499 686 HB2 PRO 88 2HB PRO 88 5.482 -15.672 6.571 687 HB3 PRO 88 3HB PRO 88 6.454 -16.175 7.968 688 HG2 PRO 88 2HG PRO 88 5.169 -17.950 6.423 689 HG3 PRO 88 3HG PRO 88 5.369 -18.193 8.168 690 HD2 PRO 88 2HD PRO 88 2.926 -17.421 6.649 691 HD3 PRO 88 3HD PRO 88 3.068 -18.323 8.167 692 H GLU 89 H GLU 89 3.072 -14.584 6.578 693 HA GLU 89 HA GLU 89 4.153 -11.939 6.291 694 HB2 GLU 89 2HB GLU 89 1.542 -13.184 5.366 695 HB3 GLU 89 3HB GLU 89 2.059 -11.562 4.907 696 HG2 GLU 89 2HG GLU 89 3.687 -14.071 4.412 697 HG3 GLU 89 3HG GLU 89 2.656 -13.306 3.205 698 H TRP 90 H TRP 90 1.341 -13.250 7.977 699 HA TRP 90 HA TRP 90 0.169 -10.763 8.758 700 HB2 TRP 90 2HB TRP 90 -0.010 -13.614 9.699 701 HB3 TRP 90 3HB TRP 90 -0.680 -12.364 10.746 702 HD1 TRP 90 HD1 TRP 90 -1.587 -14.474 7.893 703 HE1 TRP 90 HE1 TRP 90 -3.725 -13.598 6.750 704 HE3 TRP 90 HE3 TRP 90 -1.900 -9.852 10.036 705 HZ2 TRP 90 HZ2 TRP 90 -5.354 -11.244 6.751 706 HZ3 TRP 90 HZ3 TRP 90 -3.753 -8.314 9.447 707 HH2 TRP 90 HH2 TRP 90 -5.477 -9.005 7.806 708 H ASP 91 H ASP 91 2.653 -12.785 10.249 709 HA ASP 91 HA ASP 91 2.824 -11.465 12.758 710 HB2 ASP 91 2HB ASP 91 3.973 -13.591 12.304 711 HB3 ASP 91 3HB ASP 91 5.018 -12.797 11.125 712 H ARG 92 H ARG 92 4.708 -10.915 9.775 713 HA ARG 92 HA ARG 92 6.032 -8.563 10.840 714 HB2 ARG 92 2HB ARG 92 6.919 -8.305 8.565 715 HB3 ARG 92 3HB ARG 92 7.089 -9.969 9.119 716 HG2 ARG 92 2HG ARG 92 5.012 -10.561 7.902 717 HG3 ARG 92 3HG ARG 92 4.908 -8.912 7.297 718 HD2 ARG 92 2HD ARG 92 5.950 -10.197 5.571 719 HD3 ARG 92 3HD ARG 92 7.211 -9.219 6.321 720 HE ARG 92 HE ARG 92 7.089 -11.768 7.622 721 HH11 ARG 92 1HH2 ARG 92 8.007 -10.244 4.640 722 HH12 ARG 92 2HH2 ARG 92 9.225 -11.422 4.277 723 HH21 ARG 92 1HH1 ARG 92 8.666 -13.295 7.137 724 HH22 ARG 92 2HH1 ARG 92 9.594 -13.139 5.683 725 H PHE 93 H PHE 93 3.293 -9.149 8.686 726 HA PHE 93 HA PHE 93 2.862 -6.432 7.913 727 HB2 PHE 93 2HB PHE 93 1.822 -8.442 6.808 728 HB3 PHE 93 3HB PHE 93 0.762 -8.603 8.209 729 HD1 PHE 93 HD1 PHE 93 1.824 -6.188 5.562 730 HD2 PHE 93 HD2 PHE 93 -1.220 -7.329 8.372 731 HE1 PHE 93 HE1 PHE 93 0.303 -4.475 4.612 732 HE2 PHE 93 HE2 PHE 93 -2.738 -5.616 7.421 733 HZ PHE 93 HZ PHE 93 -1.978 -4.189 5.541 734 H MET 94 H MET 94 1.520 -8.403 10.549 735 HA MET 94 HA MET 94 -0.252 -6.454 11.613 736 HB2 MET 94 2HB MET 94 -0.233 -8.863 12.285 737 HB3 MET 94 3HB MET 94 1.297 -8.598 13.123 738 HG2 MET 94 2HG MET 94 -0.538 -8.475 14.732 739 HG3 MET 94 3HG MET 94 0.174 -6.876 14.547 740 HE1 MET 94 3HE MET 94 -3.791 -8.494 13.031 741 HE2 MET 94 1HE MET 94 -3.251 -8.670 14.705 742 HE3 MET 94 2HE MET 94 -2.300 -9.362 13.393 743 H ARG 95 H ARG 95 3.124 -7.214 12.425 744 HA ARG 95 HA ARG 95 3.430 -5.179 14.427 745 HB2 ARG 95 2HB ARG 95 5.418 -6.659 12.684 746 HB3 ARG 95 3HB ARG 95 5.912 -5.514 13.931 747 HG2 ARG 95 2HG ARG 95 4.716 -6.842 15.629 748 HG3 ARG 95 3HG ARG 95 4.216 -7.990 14.385 749 HD2 ARG 95 2HD ARG 95 6.590 -8.474 13.888 750 HD3 ARG 95 3HD ARG 95 7.081 -7.352 15.157 751 HE ARG 95 HE ARG 95 5.937 -10.041 15.556 752 HH11 ARG 95 1HH2 ARG 95 6.755 -6.944 16.893 753 HH12 ARG 95 2HH2 ARG 95 6.787 -7.529 18.524 754 HH21 ARG 95 1HH1 ARG 95 5.989 -10.789 17.670 755 HH22 ARG 95 2HH1 ARG 95 6.356 -9.693 18.960 756 H PHE 96 H PHE 96 4.045 -5.256 10.944 757 HA PHE 96 HA PHE 96 5.270 -2.684 10.706 758 HB2 PHE 96 2HB PHE 96 5.346 -4.360 8.902 759 HB3 PHE 96 3HB PHE 96 3.600 -4.235 8.693 760 HD1 PHE 96 HD2 PHE 96 6.714 -2.145 8.687 761 HD2 PHE 96 HD1 PHE 96 2.718 -2.652 7.188 762 HE1 PHE 96 HE2 PHE 96 7.040 -0.220 7.155 763 HE2 PHE 96 HE1 PHE 96 3.049 -0.728 5.658 764 HZ PHE 96 HZ PHE 96 5.210 0.487 5.641 765 H MET 97 H MET 97 1.888 -3.732 10.433 766 HA MET 97 HA MET 97 0.781 -1.203 9.737 767 HB2 MET 97 2HB MET 97 -0.446 -3.364 9.556 768 HB3 MET 97 3HB MET 97 -0.512 -3.460 11.315 769 HG2 MET 97 2HG MET 97 -2.619 -2.551 10.464 770 HG3 MET 97 3HG MET 97 -1.761 -1.299 11.354 771 HE1 MET 97 3HE MET 97 -2.812 1.286 8.964 772 HE2 MET 97 1HE MET 97 -1.951 1.003 10.485 773 HE3 MET 97 2HE MET 97 -3.512 0.238 10.196 774 H GLU 98 H GLU 98 1.423 -2.715 12.867 775 HA GLU 98 HA GLU 98 0.164 -0.711 14.482 776 HB2 GLU 98 2HB GLU 98 2.400 -2.687 15.046 777 HB3 GLU 98 3HB GLU 98 1.708 -1.643 16.288 778 HG2 GLU 98 2HG GLU 98 0.070 -3.539 14.583 779 HG3 GLU 98 3HG GLU 98 0.675 -3.944 16.191 780 H ARG 99 H ARG 99 3.601 -1.221 13.661 781 HA ARG 99 HA ARG 99 4.533 1.199 14.891 782 HB2 ARG 99 2HB ARG 99 5.692 -0.564 12.710 783 HB3 ARG 99 3HB ARG 99 6.553 0.817 13.393 784 HG2 ARG 99 2HG ARG 99 6.433 -0.168 15.627 785 HG3 ARG 99 3HG ARG 99 5.482 -1.516 15.007 786 HD2 ARG 99 2HD ARG 99 7.798 -2.233 15.210 787 HD3 ARG 99 3HD ARG 99 7.396 -2.108 13.498 788 HE ARG 99 HE ARG 99 8.503 0.379 14.414 789 HH11 ARG 99 1HH2 ARG 99 9.331 -2.908 13.661 790 HH12 ARG 99 2HH2 ARG 99 10.965 -2.519 13.233 791 HH21 ARG 99 1HH1 ARG 99 10.625 0.868 13.862 792 HH22 ARG 99 2HH1 ARG 99 11.692 -0.393 13.348 793 H TYR 100 H TYR 100 3.681 0.376 11.541 794 HA TYR 100 HA TYR 100 4.285 2.920 10.385 795 HB2 TYR 100 2HB TYR 100 3.948 0.956 8.977 796 HB3 TYR 100 3HB TYR 100 2.286 0.789 9.547 797 HD1 TYR 100 HD1 TYR 100 4.587 3.207 7.845 798 HD2 TYR 100 HD2 TYR 100 0.536 1.888 8.415 799 HE1 TYR 100 HE1 TYR 100 3.825 4.781 6.088 800 HE2 TYR 100 HE2 TYR 100 -0.222 3.459 6.656 801 HH TYR 100 HH TYR 100 0.374 5.148 5.321 802 H GLY 101 H GLY 101 1.251 1.551 11.625 803 HA2 GLY 101 2HA GLY 101 -0.370 3.862 11.120 804 HA3 GLY 101 3HA GLY 101 -0.758 2.567 12.255 805 H ALA 102 H ALA 102 1.643 2.859 13.832 806 HA ALA 102 HA ALA 102 0.755 4.673 15.812 807 HB1 ALA 102 3HB ALA 102 2.964 4.373 16.832 808 HB2 ALA 102 1HB ALA 102 3.612 3.757 15.311 809 HB3 ALA 102 2HB ALA 102 2.400 2.829 16.194 810 H GLU 103 H GLU 103 3.247 5.076 13.305 811 HA GLU 103 HA GLU 103 3.860 7.821 14.025 812 HB2 GLU 103 2HB GLU 103 4.386 6.199 11.511 813 HB3 GLU 103 3HB GLU 103 5.005 7.830 11.772 814 HG2 GLU 103 2HG GLU 103 6.214 7.095 13.762 815 HG3 GLU 103 3HG GLU 103 5.535 5.475 13.608 816 H ASN 104 H ASN 104 2.155 6.378 11.239 817 HA ASN 104 HA ASN 104 -0.029 8.214 11.274 818 HB2 ASN 104 2HB ASN 104 0.541 9.600 9.316 819 HB3 ASN 104 3HB ASN 104 1.674 9.878 10.624 820 HD21 ASN 104 1HD2 ASN 104 3.454 10.486 9.263 821 HD22 ASN 104 2HD2 ASN 104 4.222 9.389 8.220 822 H GLY 105 H GLY 105 -0.498 8.394 8.516 823 HA2 GLY 105 2HA GLY 105 -0.872 7.090 6.547 824 HA3 GLY 105 3HA GLY 105 -0.332 5.655 7.411 825 H LEU 106 H LEU 106 -2.480 7.624 9.176 826 HA LEU 106 HA LEU 106 -4.578 5.566 9.034 827 HB2 LEU 106 2HB LEU 106 -4.106 8.040 10.705 828 HB3 LEU 106 3HB LEU 106 -5.690 7.263 10.699 829 HG LEU 106 HG LEU 106 -4.683 5.144 11.382 830 HD11 LEU 106 1HD1 LEU 106 -2.250 5.193 12.101 831 HD12 LEU 106 2HD1 LEU 106 -2.106 6.719 11.228 832 HD13 LEU 106 3HD1 LEU 106 -2.521 5.238 10.360 833 HD21 LEU 106 3HD2 LEU 106 -5.378 6.620 13.179 834 HD22 LEU 106 1HD2 LEU 106 -3.873 7.532 13.065 835 HD23 LEU 106 2HD2 LEU 106 -3.854 5.867 13.649 836 H GLY 107 H GLY 107 -3.780 8.020 7.071 837 HA2 GLY 107 2HA GLY 107 -5.135 8.673 5.187 838 HA3 GLY 107 3HA GLY 107 -6.585 8.355 6.136 839 H PHE 108 H PHE 108 -7.596 10.258 6.117 840 HA PHE 108 HA PHE 108 -8.072 12.506 6.496 841 HB2 PHE 108 2HB PHE 108 -5.905 12.074 8.563 842 HB3 PHE 108 3HB PHE 108 -6.955 13.490 8.495 843 HD1 PHE 108 HD1 PHE 108 -9.428 13.235 8.793 844 HD2 PHE 108 HD2 PHE 108 -6.706 9.965 9.387 845 HE1 PHE 108 HE1 PHE 108 -11.189 11.990 10.018 846 HE2 PHE 108 HE2 PHE 108 -8.467 8.720 10.613 847 HZ PHE 108 HZ PHE 108 -10.709 9.733 10.928 848 H SER 109 H SER 109 -7.126 14.734 6.511 849 HA SER 109 HA SER 109 -5.387 15.078 4.258 850 HB2 SER 109 2HB SER 109 -7.053 16.764 4.805 851 HB3 SER 109 3HB SER 109 -6.310 17.052 6.375 852 HG SER 109 HG SER 109 -5.288 17.600 3.790 853 H LYS 110 H LYS 110 -3.273 15.554 4.110 854 HA LYS 110 HA LYS 110 -1.544 14.848 6.337 855 HB2 LYS 110 2HB LYS 110 0.290 15.265 4.729 856 HB3 LYS 110 3HB LYS 110 -0.942 14.193 4.072 857 HG2 LYS 110 2HG LYS 110 -1.920 16.016 2.792 858 HG3 LYS 110 3HG LYS 110 -0.831 17.178 3.540 859 HD2 LYS 110 2HD LYS 110 0.131 16.674 1.412 860 HD3 LYS 110 3HD LYS 110 1.095 15.802 2.603 861 HE2 LYS 110 2HE LYS 110 0.090 13.723 2.058 862 HE3 LYS 110 3HE LYS 110 -1.244 14.495 1.200 863 HZ1 LYS 110 3HZ LYS 110 1.439 13.897 0.304 864 HZ2 LYS 110 1HZ LYS 110 0.865 15.429 -0.143 865 HZ3 LYS 110 2HZ LYS 110 -0.003 14.037 -0.584 866 H SER 111 H SER 111 -0.201 16.157 7.502 867 HA SER 111 HA SER 111 0.504 18.832 7.010 868 HB2 SER 111 2HB SER 111 -1.593 19.782 7.200 869 HB3 SER 111 3HB SER 111 -2.212 18.452 8.172 870 HG SER 111 HG SER 111 -1.227 20.818 8.960 871 H GLU 112 H GLU 112 -1.027 17.909 10.053 872 HA GLU 112 HA GLU 112 1.532 18.236 11.467 873 HB2 GLU 112 2HB GLU 112 -1.296 17.649 12.403 874 HB3 GLU 112 3HB GLU 112 0.076 17.808 13.500 875 HG2 GLU 112 2HG GLU 112 0.489 20.087 12.699 876 HG3 GLU 112 3HG GLU 112 -0.823 19.938 11.532 877 H LEU 113 H LEU 113 -0.203 15.697 10.047 878 HA LEU 113 HA LEU 113 0.419 13.541 11.846 879 HB2 LEU 113 2HB LEU 113 -0.002 13.382 8.843 880 HB3 LEU 113 3HB LEU 113 -0.222 12.085 10.017 881 HG LEU 113 HG LEU 113 -1.811 14.669 9.970 882 HD11 LEU 113 1HD1 LEU 113 -3.688 13.155 9.295 883 HD12 LEU 113 2HD1 LEU 113 -2.519 11.846 9.118 884 HD13 LEU 113 3HD1 LEU 113 -2.418 13.264 8.076 885 HD21 LEU 113 3HD2 LEU 113 -3.265 13.166 11.556 886 HD22 LEU 113 1HD2 LEU 113 -1.831 13.951 12.209 887 HD23 LEU 113 2HD2 LEU 113 -1.777 12.244 11.769 888 H GLU 114 H GLU 114 2.166 15.033 9.168 889 HA GLU 114 HA GLU 114 4.177 13.037 8.828 890 HB2 GLU 114 2HB GLU 114 4.269 16.043 8.403 891 HB3 GLU 114 3HB GLU 114 5.546 14.939 7.893 892 HG2 GLU 114 2HG GLU 114 3.973 13.723 6.469 893 HG3 GLU 114 3HG GLU 114 2.649 14.747 7.018 894 H HIS 115 H HIS 115 4.020 15.881 10.949 895 HA HIS 115 HA HIS 115 5.944 14.598 12.783 896 HB2 HIS 115 2HB HIS 115 7.279 15.954 11.078 897 HB3 HIS 115 3HB HIS 115 6.507 17.391 11.753 898 HD1 HIS 115 HD1 HIS 115 8.284 14.322 13.179 899 HD2 HIS 115 HD2 HIS 115 8.029 18.435 13.802 900 HE1 HIS 115 HE1 HIS 115 9.856 14.854 15.090 901 H HIS 116 H HIS 116 6.257 17.630 13.619 902 HA HIS 116 HA HIS 116 3.615 18.244 14.724 903 HB2 HIS 116 2HB HIS 116 4.482 16.512 16.293 904 HB3 HIS 116 3HB HIS 116 5.914 17.503 16.572 905 HD1 HIS 116 HD1 HIS 116 5.542 19.811 17.805 906 HD2 HIS 116 HD2 HIS 116 2.176 17.355 17.671 907 HE1 HIS 116 HE1 HIS 116 3.898 20.758 19.481 908 H HIS 117 H HIS 117 7.073 18.864 15.430 909 HA HIS 117 HA HIS 117 6.590 21.710 15.824 910 HB2 HIS 117 2HB HIS 117 9.165 20.114 15.644 911 HB3 HIS 117 3HB HIS 117 9.077 21.821 16.077 912 HD1 HIS 117 HD1 HIS 117 7.596 22.364 18.293 913 HD2 HIS 117 HD2 HIS 117 8.715 18.381 17.776 914 HE1 HIS 117 HE1 HIS 117 7.283 21.234 20.539 915 H HIS 118 H HIS 118 7.066 23.373 14.476 916 HA HIS 118 HA HIS 118 7.234 22.785 11.613 917 HB2 HIS 118 2HB HIS 118 5.815 24.627 12.623 918 HB3 HIS 118 3HB HIS 118 7.309 25.495 12.981 919 HD1 HIS 118 HD1 HIS 118 5.598 23.898 9.966 920 HD2 HIS 118 HD2 HIS 118 8.186 27.039 10.863 921 HE1 HIS 118 HE1 HIS 118 6.008 25.130 7.792 922 H HIS 119 H HIS 119 9.471 23.023 14.035 923 HA HIS 119 HA HIS 119 11.562 24.628 12.984 924 HB2 HIS 119 2HB HIS 119 11.549 23.667 15.278 925 HB3 HIS 119 3HB HIS 119 11.788 22.060 14.592 926 HD1 HIS 119 HD1 HIS 119 13.503 25.469 14.311 927 HD2 HIS 119 HD2 HIS 119 14.461 21.416 14.497 928 HE1 HIS 119 HE1 HIS 119 16.031 25.329 14.283 929 H HIS 120 H HIS 120 10.743 21.239 12.437 930 HA HIS 120 HA HIS 120 12.949 20.395 10.921 931 HB2 HIS 120 2HB HIS 120 11.062 18.927 11.639 932 HB3 HIS 120 3HB HIS 120 10.043 19.670 10.407 933 HD1 HIS 120 HD1 HIS 120 10.813 19.306 7.872 934 HD2 HIS 120 HD2 HIS 120 12.792 16.947 10.683 935 HE1 HIS 120 HE1 HIS 120 11.971 17.463 6.574
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