NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
465308 | 2kiz | 15948 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 0.716 -13.681 2.551 2 H2 MET 1 H2 MET 1 0.767 -14.050 0.986 3 H3 MET 1 H3 MET 1 0.301 -15.199 2.105 4 HA MET 1 HA MET 1 2.872 -13.880 1.766 5 HB2 MET 1 2HB MET 1 3.938 -15.828 1.062 6 HB3 MET 1 3HB MET 1 2.632 -16.872 1.538 7 HG2 MET 1 3HG MET 1 2.384 -16.883 -0.703 8 HG3 MET 1 2HG MET 1 1.223 -15.642 -0.297 9 HE1 MET 1 3HE MET 1 3.029 -12.392 -1.654 10 HE2 MET 1 1HE MET 1 1.607 -13.040 -0.820 11 HE3 MET 1 2HE MET 1 3.177 -12.926 0.024 12 H LYS 2 H LYS 2 2.333 -15.244 5.393 13 HA LYS 2 HA LYS 2 0.779 -16.826 5.549 14 HB2 LYS 2 2HB LYS 2 -0.529 -17.561 3.380 15 HB3 LYS 2 3HB LYS 2 0.820 -16.940 2.530 16 HG2 LYS 2 2HG LYS 2 0.722 -19.277 4.438 17 HG3 LYS 2 3HG LYS 2 1.160 -19.244 2.747 18 HD2 LYS 2 2HD LYS 2 3.132 -19.669 3.881 19 HD3 LYS 2 3HD LYS 2 3.291 -17.958 3.455 20 HE2 LYS 2 3HE LYS 2 2.955 -17.268 5.698 21 HE3 LYS 2 2HE LYS 2 2.042 -18.739 6.077 22 HZ1 LYS 2 3HZ LYS 2 4.960 -18.659 5.681 23 HZ2 LYS 2 1HZ LYS 2 4.023 -19.988 6.027 24 HZ3 LYS 2 2HZ LYS 2 4.147 -18.814 7.124 25 H GLN 3 H GLN 3 -2.012 -14.717 5.804 26 HA GLN 3 HA GLN 3 -2.487 -16.375 7.281 27 HB2 GLN 3 2HB GLN 3 -1.422 -14.762 8.521 28 HB3 GLN 3 3HB GLN 3 -1.035 -16.325 9.149 29 HG2 GLN 3 2HG GLN 3 0.986 -15.235 9.339 30 HG3 GLN 3 3HG GLN 3 1.214 -16.057 7.796 31 HE21 GLN 3 2HE2 GLN 3 -0.090 -12.886 9.136 32 HE22 GLN 3 1HE2 GLN 3 0.601 -11.930 7.840 33 H ASP 4 H ASP 4 -0.973 -18.198 8.701 34 HA ASP 4 HA ASP 4 -0.836 -20.287 6.586 35 HB2 ASP 4 2HB ASP 4 1.421 -19.338 7.804 36 HB3 ASP 4 3HB ASP 4 1.022 -20.619 8.919 37 H GLY 5 H GLY 5 -3.057 -19.617 7.958 38 HA2 GLY 5 3HA GLY 5 -4.452 -19.951 9.814 39 HA3 GLY 5 2HA GLY 5 -3.401 -21.281 10.381 40 H GLU 6 H GLU 6 -1.342 -20.770 11.218 41 HA GLU 6 HA GLU 6 -1.094 -18.883 13.166 42 HB2 GLU 6 2HB GLU 6 1.104 -20.136 11.489 43 HB3 GLU 6 3HB GLU 6 1.352 -19.282 13.022 44 HG2 GLU 6 2HG GLU 6 -0.175 -20.925 14.139 45 HG3 GLU 6 3HG GLU 6 -0.257 -21.839 12.625 46 H GLU 7 H GLU 7 -0.340 -15.714 11.702 47 HA GLU 7 HA GLU 7 -2.524 -17.285 12.769 48 HB2 GLU 7 3HB GLU 7 -0.790 -17.348 14.644 49 HB3 GLU 7 2HB GLU 7 -0.874 -15.595 14.707 50 HG2 GLU 7 2HG GLU 7 -2.317 -16.619 16.418 51 HG3 GLU 7 3HG GLU 7 -3.301 -15.728 15.260 52 H GLY 8 H GLY 8 -3.039 -16.004 10.811 53 HA2 GLY 8 3HA GLY 8 -3.491 -14.086 9.580 54 HA3 GLY 8 2HA GLY 8 -4.532 -13.678 10.937 55 H THR 9 H THR 9 -2.265 -11.165 12.110 56 HA THR 9 HA THR 9 -5.027 -11.517 11.134 57 HB THR 9 HB THR 9 -5.677 -11.072 13.544 58 HG1 THR 9 1HG THR 9 -3.353 -12.605 14.038 59 HG21 THR 9 1HG2 THR 9 -4.963 -13.945 13.011 60 HG22 THR 9 2HG2 THR 9 -6.366 -13.094 12.316 61 HG23 THR 9 3HG2 THR 9 -6.200 -13.284 14.067 62 H GLU 10 H GLU 10 -2.441 -9.353 11.388 63 HA GLU 10 HA GLU 10 -4.105 -7.190 12.519 64 HB2 GLU 10 2HB GLU 10 -3.023 -8.646 14.308 65 HB3 GLU 10 3HB GLU 10 -1.458 -8.141 13.690 66 HG2 GLU 10 2HG GLU 10 -2.240 -5.711 14.149 67 HG3 GLU 10 3HG GLU 10 -3.660 -6.416 14.924 68 H GLU 11 H GLU 11 -0.804 -6.446 12.813 69 HA GLU 11 HA GLU 11 -0.850 -4.780 10.443 70 HB2 GLU 11 2HB GLU 11 0.606 -4.814 12.856 71 HB3 GLU 11 3HB GLU 11 1.795 -5.295 11.631 72 HG2 GLU 11 2HG GLU 11 0.991 -3.310 10.247 73 HG3 GLU 11 3HG GLU 11 0.030 -2.805 11.649 74 H ASP 12 H ASP 12 0.521 -5.061 8.578 75 HA ASP 12 HA ASP 12 0.978 -6.274 6.762 76 HB2 ASP 12 2HB ASP 12 2.700 -7.736 8.778 77 HB3 ASP 12 3HB ASP 12 2.650 -8.219 7.078 78 H THR 13 H THR 13 -1.462 -6.676 7.456 79 HA THR 13 HA THR 13 -1.763 -9.371 6.254 80 HB THR 13 HB THR 13 -3.766 -8.223 7.402 81 HG1 THR 13 1HG THR 13 -4.027 -9.054 4.686 82 HG21 THR 13 1HG2 THR 13 -3.462 -5.993 6.290 83 HG22 THR 13 2HG2 THR 13 -3.853 -6.758 4.721 84 HG23 THR 13 3HG2 THR 13 -5.067 -6.715 6.022 85 H GLU 14 H GLU 14 -1.733 -9.513 3.976 86 HA GLU 14 HA GLU 14 -1.238 -7.024 2.492 87 HB2 GLU 14 2HB GLU 14 0.071 -8.285 0.874 88 HB3 GLU 14 3HB GLU 14 0.829 -8.381 2.473 89 HG2 GLU 14 2HG GLU 14 -0.199 -10.625 2.823 90 HG3 GLU 14 3HG GLU 14 -0.922 -10.544 1.212 91 H GLU 15 H GLU 15 -2.125 -7.296 0.273 92 HA GLU 15 HA GLU 15 -3.791 -9.531 -0.315 93 HB2 GLU 15 2HB GLU 15 -5.232 -7.540 0.916 94 HB3 GLU 15 3HB GLU 15 -5.293 -6.996 -0.768 95 HG2 GLU 15 2HG GLU 15 -5.862 -9.534 -1.265 96 HG3 GLU 15 3HG GLU 15 -6.227 -9.624 0.453 97 H LYS 16 H LYS 16 -4.929 -8.371 -2.616 98 HA LYS 16 HA LYS 16 -2.754 -8.111 -4.414 99 HB2 LYS 16 3HB LYS 16 -5.421 -6.679 -4.814 100 HB3 LYS 16 2HB LYS 16 -4.252 -7.113 -6.033 101 HG2 LYS 16 2HG LYS 16 -5.987 -8.609 -6.352 102 HG3 LYS 16 3HG LYS 16 -4.767 -9.577 -5.507 103 HD2 LYS 16 2HD LYS 16 -6.029 -9.698 -3.571 104 HD3 LYS 16 3HD LYS 16 -6.806 -8.123 -3.853 105 HE2 LYS 16 2HE LYS 16 -8.109 -9.164 -5.730 106 HE3 LYS 16 3HE LYS 16 -7.417 -10.740 -5.293 107 HZ1 LYS 16 3HZ LYS 16 -9.012 -9.027 -3.478 108 HZ2 LYS 16 1HZ LYS 16 -9.589 -10.396 -4.231 109 HZ3 LYS 16 2HZ LYS 16 -8.400 -10.396 -3.060 110 H CYS 17 H CYS 17 -1.828 -6.101 -5.327 111 HA CYS 17 HA CYS 17 -1.772 -3.852 -3.542 112 HB2 CYS 17 2HB CYS 17 0.115 -4.467 -5.027 113 HB3 CYS 17 3HB CYS 17 -0.906 -4.027 -6.406 114 H THR 18 H THR 18 -2.947 -2.084 -3.797 115 HA THR 18 HA THR 18 -5.346 -2.349 -5.573 116 HB THR 18 HB THR 18 -5.357 -2.509 -2.927 117 HG1 THR 18 1HG THR 18 -7.532 -2.221 -3.172 118 HG21 THR 18 1HG2 THR 18 -6.101 0.360 -3.551 119 HG22 THR 18 2HG2 THR 18 -6.251 -0.467 -1.979 120 HG23 THR 18 3HG2 THR 18 -4.639 -0.138 -2.661 121 H ILE 19 H ILE 19 -2.667 -0.244 -4.653 122 HA ILE 19 HA ILE 19 -3.707 1.984 -6.155 123 HB ILE 19 HB ILE 19 -0.962 1.175 -5.072 124 HG12 ILE 19 2HG1 ILE 19 -1.748 3.529 -3.893 125 HG13 ILE 19 3HG1 ILE 19 -3.309 2.772 -4.085 126 HG21 ILE 19 1HG2 ILE 19 -0.238 3.475 -5.601 127 HG22 ILE 19 2HG2 ILE 19 -0.585 2.526 -7.047 128 HG23 ILE 19 3HG2 ILE 19 -1.767 3.736 -6.486 129 HD11 ILE 19 3HD1 ILE 19 -2.512 0.821 -2.800 130 HD12 ILE 19 1HD1 ILE 19 -0.876 1.522 -2.721 131 HD13 ILE 19 2HD1 ILE 19 -2.222 2.331 -1.900 132 H CYS 20 H CYS 20 -1.712 -0.906 -6.777 133 HA CYS 20 HA CYS 20 -1.250 -0.103 -9.612 134 HB2 CYS 20 2HB CYS 20 -0.666 -2.671 -8.195 135 HB3 CYS 20 3HB CYS 20 -0.122 -2.186 -9.801 136 H LEU 21 H LEU 21 -4.007 -1.041 -8.053 137 HA LEU 21 HA LEU 21 -5.609 -2.643 -8.285 138 HB2 LEU 21 2HB LEU 21 -5.532 -1.371 -10.967 139 HB3 LEU 21 3HB LEU 21 -6.734 -2.581 -10.494 140 HG LEU 21 HG LEU 21 -7.092 -1.133 -8.373 141 HD11 LEU 21 1HD1 LEU 21 -6.810 1.283 -8.770 142 HD12 LEU 21 2HD1 LEU 21 -5.260 0.445 -8.795 143 HD13 LEU 21 3HD1 LEU 21 -6.001 0.945 -10.326 144 HD21 LEU 21 3HD2 LEU 21 -8.085 -0.293 -11.126 145 HD22 LEU 21 1HD2 LEU 21 -8.782 -1.555 -10.081 146 HD23 LEU 21 2HD2 LEU 21 -8.844 0.143 -9.574 147 H SER 22 H SER 22 -3.462 -4.196 -8.116 148 HA SER 22 HA SER 22 -3.738 -6.348 -10.092 149 HB2 SER 22 2HB SER 22 -1.215 -4.635 -9.919 150 HB3 SER 22 3HB SER 22 -1.260 -6.254 -10.640 151 HG SER 22 HG SER 22 -2.780 -4.004 -11.469 152 H ILE 23 H ILE 23 -2.420 -8.308 -9.381 153 HA ILE 23 HA ILE 23 -2.234 -8.633 -6.563 154 HB ILE 23 HB ILE 23 -0.974 -10.626 -7.241 155 HG12 ILE 23 2HG1 ILE 23 -2.008 -10.253 -10.057 156 HG13 ILE 23 3HG1 ILE 23 -0.512 -9.369 -9.638 157 HG21 ILE 23 1HG2 ILE 23 -3.787 -10.116 -8.293 158 HG22 ILE 23 2HG2 ILE 23 -3.046 -11.725 -8.161 159 HG23 ILE 23 3HG2 ILE 23 -3.296 -10.760 -6.706 160 HD11 ILE 23 3HD1 ILE 23 -0.992 -12.270 -9.047 161 HD12 ILE 23 1HD1 ILE 23 -0.020 -11.636 -10.422 162 HD13 ILE 23 2HD1 ILE 23 0.473 -11.314 -8.726 163 H LEU 24 H LEU 24 -0.407 -8.726 -5.212 164 HA LEU 24 HA LEU 24 1.916 -7.190 -5.957 165 HB2 LEU 24 2HB LEU 24 1.045 -8.971 -3.647 166 HB3 LEU 24 3HB LEU 24 2.720 -8.482 -3.801 167 HG LEU 24 HG LEU 24 0.406 -6.559 -3.757 168 HD11 LEU 24 1HD1 LEU 24 0.980 -6.067 -1.428 169 HD12 LEU 24 2HD1 LEU 24 0.607 -7.790 -1.596 170 HD13 LEU 24 3HD1 LEU 24 2.296 -7.271 -1.474 171 HD21 LEU 24 3HD2 LEU 24 2.369 -5.556 -4.786 172 HD22 LEU 24 1HD2 LEU 24 2.156 -4.874 -3.175 173 HD23 LEU 24 2HD2 LEU 24 3.399 -6.113 -3.449 174 H GLU 25 H GLU 25 4.057 -8.238 -5.749 175 HA GLU 25 HA GLU 25 4.248 -10.856 -7.072 176 HB2 GLU 25 2HB GLU 25 5.430 -9.884 -8.974 177 HB3 GLU 25 3HB GLU 25 3.818 -9.152 -8.839 178 HG2 GLU 25 2HG GLU 25 4.988 -7.333 -7.399 179 HG3 GLU 25 3HG GLU 25 6.493 -7.979 -8.020 180 H GLU 26 H GLU 26 6.486 -11.682 -6.934 181 HA GLU 26 HA GLU 26 8.073 -10.490 -4.831 182 HB2 GLU 26 2HB GLU 26 8.453 -12.936 -6.606 183 HB3 GLU 26 3HB GLU 26 9.552 -12.455 -5.294 184 HG2 GLU 26 2HG GLU 26 7.698 -12.629 -3.663 185 HG3 GLU 26 3HG GLU 26 6.589 -13.110 -4.952 186 H GLY 27 H GLY 27 8.118 -8.456 -6.210 187 HA2 GLY 27 2HA GLY 27 9.959 -8.623 -8.556 188 HA3 GLY 27 3HA GLY 27 8.767 -7.359 -8.243 189 H GLU 28 H GLU 28 9.294 -6.325 -5.777 190 HA GLU 28 HA GLU 28 12.157 -5.769 -5.629 191 HB2 GLU 28 2HB GLU 28 10.629 -4.101 -7.065 192 HB3 GLU 28 3HB GLU 28 10.131 -3.536 -5.477 193 HG2 GLU 28 2HG GLU 28 12.939 -3.776 -5.309 194 HG3 GLU 28 3HG GLU 28 12.677 -3.210 -6.951 195 H ASP 29 H ASP 29 11.740 -3.720 -3.705 196 HA ASP 29 HA ASP 29 11.155 -5.378 -1.337 197 HB2 ASP 29 2HB ASP 29 13.131 -4.052 -1.181 198 HB3 ASP 29 3HB ASP 29 12.327 -2.620 -1.803 199 H VAL 30 H VAL 30 9.438 -4.832 0.160 200 HA VAL 30 HA VAL 30 7.398 -3.027 -0.929 201 HB VAL 30 HB VAL 30 5.763 -4.669 -0.167 202 HG11 VAL 30 1HG1 VAL 30 7.727 -5.877 -2.114 203 HG12 VAL 30 2HG1 VAL 30 5.944 -6.058 -2.089 204 HG13 VAL 30 3HG1 VAL 30 6.691 -4.486 -2.473 205 HG21 VAL 30 3HG2 VAL 30 6.390 -6.954 0.330 206 HG22 VAL 30 1HG2 VAL 30 8.112 -6.541 0.175 207 HG23 VAL 30 2HG2 VAL 30 7.141 -5.841 1.496 208 H ARG 31 H ARG 31 5.686 -2.649 0.705 209 HA ARG 31 HA ARG 31 6.794 -2.158 3.338 210 HB2 ARG 31 2HB ARG 31 7.581 -0.402 1.308 211 HB3 ARG 31 3HB ARG 31 6.235 0.429 2.030 212 HG2 ARG 31 2HG ARG 31 8.301 1.147 3.097 213 HG3 ARG 31 3HG ARG 31 7.465 0.122 4.296 214 HD2 ARG 31 2HD ARG 31 8.834 -1.787 3.697 215 HD3 ARG 31 3HD ARG 31 9.452 -0.952 2.255 216 HE ARG 31 HE ARG 31 10.187 0.392 4.700 217 HH11 ARG 31 2HH2 ARG 31 10.910 -2.203 2.379 218 HH12 ARG 31 1HH2 ARG 31 12.425 -2.597 2.912 219 HH21 ARG 31 2HH1 ARG 31 12.428 0.030 5.446 220 HH22 ARG 31 1HH1 ARG 31 13.368 -1.224 4.702 221 H ARG 32 H ARG 32 5.269 -1.312 4.856 222 HA ARG 32 HA ARG 32 2.518 -1.349 3.818 223 HB2 ARG 32 2HB ARG 32 1.913 -2.249 5.966 224 HB3 ARG 32 3HB ARG 32 3.311 -3.163 5.409 225 HG2 ARG 32 2HG ARG 32 4.708 -1.479 6.866 226 HG3 ARG 32 3HG ARG 32 3.137 -1.047 7.581 227 HD2 ARG 32 2HD ARG 32 2.794 -3.549 7.963 228 HD3 ARG 32 3HD ARG 32 4.498 -3.752 7.497 229 HE ARG 32 HE ARG 32 3.636 -1.965 9.732 230 HH11 ARG 32 2HH2 ARG 32 5.419 -4.882 8.806 231 HH12 ARG 32 1HH2 ARG 32 6.268 -5.003 10.291 232 HH21 ARG 32 2HH1 ARG 32 4.417 -2.376 11.771 233 HH22 ARG 32 1HH1 ARG 32 5.664 -3.519 12.065 234 H LEU 33 H LEU 33 1.105 0.232 4.429 235 HA LEU 33 HA LEU 33 2.353 2.674 5.534 236 HB2 LEU 33 2HB LEU 33 -0.390 3.071 5.755 237 HB3 LEU 33 3HB LEU 33 0.779 3.813 4.690 238 HG LEU 33 HG LEU 33 0.326 1.821 3.142 239 HD11 LEU 33 1HD1 LEU 33 -0.953 0.657 5.025 240 HD12 LEU 33 2HD1 LEU 33 -2.259 1.826 4.733 241 HD13 LEU 33 3HD1 LEU 33 -1.772 0.692 3.441 242 HD21 LEU 33 3HD2 LEU 33 -1.600 3.025 2.159 243 HD22 LEU 33 1HD2 LEU 33 -1.737 3.980 3.662 244 HD23 LEU 33 2HD2 LEU 33 -0.281 4.109 2.654 245 HA PRO 34 HA PRO 34 1.964 0.952 9.573 246 HB2 PRO 34 2HB PRO 34 2.158 3.200 11.170 247 HB3 PRO 34 3HB PRO 34 3.521 2.458 10.280 248 HG2 PRO 34 2HG PRO 34 1.795 4.793 9.426 249 HG3 PRO 34 3HG PRO 34 3.584 4.677 9.410 250 HD2 PRO 34 2HD PRO 34 2.140 4.222 7.161 251 HD3 PRO 34 3HD PRO 34 3.561 3.205 7.546 252 H CYS 35 H CYS 35 -0.557 2.492 8.146 253 HA CYS 35 HA CYS 35 -2.759 2.475 10.022 254 HB2 CYS 35 2HB CYS 35 -3.053 3.167 7.758 255 HB3 CYS 35 3HB CYS 35 -2.322 1.664 7.174 256 H MET 36 H MET 36 -1.132 -0.151 8.168 257 HA MET 36 HA MET 36 -1.093 -2.239 9.800 258 HB2 MET 36 2HB MET 36 -3.953 -1.649 9.189 259 HB3 MET 36 3HB MET 36 -3.465 -3.272 8.747 260 HG2 MET 36 2HG MET 36 -2.670 -3.756 10.977 261 HG3 MET 36 3HG MET 36 -3.004 -2.113 11.512 262 HE1 MET 36 3HE MET 36 -4.293 -3.075 13.569 263 HE2 MET 36 1HE MET 36 -5.610 -4.268 13.458 264 HE3 MET 36 2HE MET 36 -3.955 -4.724 12.997 265 H HIS 37 H HIS 37 -2.635 -1.353 6.752 266 HA HIS 37 HA HIS 37 -2.157 -3.889 5.563 267 HB2 HIS 37 1HB HIS 37 -2.955 -1.308 4.185 268 HB3 HIS 37 2HB HIS 37 -3.204 -2.922 3.573 269 HD2 HIS 37 2HD HIS 37 -4.889 -4.562 4.911 270 HE1 HIS 37 1HE HIS 37 -7.096 -1.532 6.918 271 HE2 HIS 37 2HE HIS 37 -7.018 -4.021 6.336 272 H LEU 38 H LEU 38 -0.907 -4.541 3.909 273 HA LEU 38 HA LEU 38 1.621 -3.055 3.526 274 HB2 LEU 38 2HB LEU 38 1.822 -5.269 4.331 275 HB3 LEU 38 3HB LEU 38 0.936 -5.928 2.942 276 HG LEU 38 HG LEU 38 3.398 -4.311 2.436 277 HD11 LEU 38 1HD1 LEU 38 3.462 -7.156 3.500 278 HD12 LEU 38 2HD1 LEU 38 4.839 -6.321 2.741 279 HD13 LEU 38 3HD1 LEU 38 4.163 -5.713 4.259 280 HD21 LEU 38 3HD2 LEU 38 2.039 -5.395 0.554 281 HD22 LEU 38 1HD2 LEU 38 3.728 -5.905 0.609 282 HD23 LEU 38 2HD2 LEU 38 2.457 -6.967 1.242 283 H PHE 39 H PHE 39 2.452 -2.652 1.536 284 HA PHE 39 HA PHE 39 0.993 -3.383 -0.908 285 HB2 PHE 39 2HB PHE 39 1.494 -0.499 -0.054 286 HB3 PHE 39 3HB PHE 39 1.262 -0.927 -1.741 287 HD1 PHE 39 1HD PHE 39 -0.735 -2.690 -2.098 288 HD2 PHE 39 2HD PHE 39 -0.518 0.261 1.015 289 HE1 PHE 39 1HE PHE 39 -3.216 -2.786 -1.851 290 HE2 PHE 39 2HE PHE 39 -2.990 0.222 1.219 291 HZ PHE 39 HZ PHE 39 -4.339 -1.260 -0.298 292 H HIS 40 H HIS 40 2.422 -2.198 -2.865 293 HA HIS 40 HA HIS 40 5.137 -3.176 -2.567 294 HB2 HIS 40 1HB HIS 40 4.037 -1.136 -4.529 295 HB3 HIS 40 2HB HIS 40 5.630 -1.811 -4.561 296 HD2 HIS 40 2HD HIS 40 5.954 -4.360 -5.337 297 HE1 HIS 40 1HE HIS 40 2.527 -4.199 -7.846 298 HE2 HIS 40 2HE HIS 40 4.693 -5.364 -7.438 299 H GLN 41 H GLN 41 6.995 -1.807 -2.228 300 HA GLN 41 HA GLN 41 6.662 0.375 -0.416 301 HB2 GLN 41 2HB GLN 41 8.716 -1.052 -0.534 302 HB3 GLN 41 3HB GLN 41 8.905 -0.615 -2.218 303 HG2 GLN 41 2HG GLN 41 9.030 1.871 -0.881 304 HG3 GLN 41 3HG GLN 41 9.909 0.748 0.167 305 HE21 GLN 41 1HE2 GLN 41 11.266 -0.909 -1.202 306 HE22 GLN 41 2HE2 GLN 41 11.995 -0.380 -2.707 307 H VAL 42 H VAL 42 7.683 0.281 -3.797 308 HA VAL 42 HA VAL 42 7.727 3.046 -4.220 309 HB VAL 42 HB VAL 42 8.406 1.027 -5.680 310 HG11 VAL 42 1HG1 VAL 42 6.987 0.390 -7.515 311 HG12 VAL 42 2HG1 VAL 42 6.164 0.044 -5.988 312 HG13 VAL 42 3HG1 VAL 42 5.690 1.460 -6.959 313 HG21 VAL 42 3HG2 VAL 42 8.444 2.416 -7.727 314 HG22 VAL 42 1HG2 VAL 42 7.227 3.502 -7.014 315 HG23 VAL 42 2HG2 VAL 42 8.849 3.377 -6.293 316 H CYS 43 H CYS 43 5.012 0.979 -3.888 317 HA CYS 43 HA CYS 43 3.028 2.888 -5.151 318 HB2 CYS 43 2HB CYS 43 2.771 0.341 -3.561 319 HB3 CYS 43 3HB CYS 43 1.446 1.381 -4.024 320 H VAL 44 H VAL 44 4.099 1.871 -1.785 321 HA VAL 44 HA VAL 44 2.040 3.359 -0.539 322 HB VAL 44 HB VAL 44 3.981 1.559 0.215 323 HG11 VAL 44 1HG1 VAL 44 5.394 2.559 1.919 324 HG12 VAL 44 2HG1 VAL 44 5.758 3.225 0.320 325 HG13 VAL 44 3HG1 VAL 44 4.823 4.180 1.501 326 HG21 VAL 44 3HG2 VAL 44 3.107 1.861 2.479 327 HG22 VAL 44 1HG2 VAL 44 2.391 3.423 1.999 328 HG23 VAL 44 2HG2 VAL 44 1.825 1.904 1.253 329 H ASP 45 H ASP 45 5.057 4.116 -1.997 330 HA ASP 45 HA ASP 45 5.410 6.798 -0.865 331 HB2 ASP 45 2HB ASP 45 7.385 5.746 -1.707 332 HB3 ASP 45 3HB ASP 45 6.621 5.343 -3.244 333 H GLN 46 H GLN 46 4.731 5.908 -4.301 334 HA GLN 46 HA GLN 46 3.895 8.521 -4.926 335 HB2 GLN 46 2HB GLN 46 3.211 5.885 -6.297 336 HB3 GLN 46 3HB GLN 46 2.937 7.498 -6.995 337 HG2 GLN 46 2HG GLN 46 5.363 8.006 -6.772 338 HG3 GLN 46 3HG GLN 46 5.643 6.391 -6.111 339 HE21 GLN 46 1HE2 GLN 46 7.161 6.028 -7.844 340 HE22 GLN 46 2HE2 GLN 46 6.548 5.618 -9.448 341 H TRP 47 H TRP 47 2.108 5.970 -3.381 342 HA TRP 47 HA TRP 47 -0.497 7.110 -3.781 343 HB2 TRP 47 2HB TRP 47 -0.048 4.743 -3.129 344 HB3 TRP 47 3HB TRP 47 0.473 5.301 -1.533 345 HD1 TRP 47 HD1 TRP 47 -1.433 5.130 0.165 346 HE1 TRP 47 HE1 TRP 47 -4.001 5.352 0.098 347 HE3 TRP 47 HE3 TRP 47 -2.165 6.361 -4.773 348 HZ2 TRP 47 HZ2 TRP 47 -5.996 5.228 -1.824 349 HZ3 TRP 47 HZ3 TRP 47 -4.409 6.658 -5.629 350 HH2 TRP 47 HH2 TRP 47 -6.411 5.989 -4.251 351 H LEU 48 H LEU 48 1.731 7.158 -0.913 352 HA LEU 48 HA LEU 48 0.438 9.036 0.623 353 HB2 LEU 48 2HB LEU 48 3.219 8.074 0.206 354 HB3 LEU 48 3HB LEU 48 3.145 9.660 0.880 355 HG LEU 48 HG LEU 48 1.602 7.291 1.997 356 HD11 LEU 48 1HD1 LEU 48 3.385 7.161 3.710 357 HD12 LEU 48 2HD1 LEU 48 4.018 6.862 2.080 358 HD13 LEU 48 3HD1 LEU 48 4.291 8.437 2.857 359 HD21 LEU 48 3HD2 LEU 48 0.689 9.481 2.718 360 HD22 LEU 48 1HD2 LEU 48 1.527 8.704 4.068 361 HD23 LEU 48 2HD2 LEU 48 2.316 10.021 3.178 362 H ILE 49 H ILE 49 2.523 9.685 -2.237 363 HA ILE 49 HA ILE 49 2.503 12.496 -2.057 364 HB ILE 49 HB ILE 49 2.715 10.612 -4.405 365 HG12 ILE 49 2HG1 ILE 49 4.475 10.379 -2.663 366 HG13 ILE 49 3HG1 ILE 49 5.031 10.815 -4.267 367 HG21 ILE 49 1HG2 ILE 49 3.804 12.530 -5.584 368 HG22 ILE 49 2HG2 ILE 49 2.055 12.675 -5.363 369 HG23 ILE 49 3HG2 ILE 49 3.145 13.594 -4.310 370 HD11 ILE 49 3HD1 ILE 49 4.621 12.755 -1.980 371 HD12 ILE 49 1HD1 ILE 49 6.179 12.081 -2.507 372 HD13 ILE 49 2HD1 ILE 49 5.266 13.145 -3.597 373 H THR 50 H THR 50 0.053 10.229 -3.502 374 HA THR 50 HA THR 50 -1.528 12.571 -4.370 375 HB THR 50 HB THR 50 -2.944 10.716 -5.397 376 HG1 THR 50 1HG THR 50 -0.620 9.136 -5.048 377 HG21 THR 50 1HG2 THR 50 -1.394 10.389 -7.286 378 HG22 THR 50 2HG2 THR 50 -1.356 12.068 -6.715 379 HG23 THR 50 3HG2 THR 50 -0.035 10.957 -6.292 380 H ASN 51 H ASN 51 -2.418 9.426 -2.875 381 HA ASN 51 HA ASN 51 -4.547 10.821 -1.365 382 HB2 ASN 51 2HB ASN 51 -4.748 8.477 -2.584 383 HB3 ASN 51 3HB ASN 51 -3.904 7.885 -1.165 384 HD21 ASN 51 1HD2 ASN 51 -6.674 7.306 -1.983 385 HD22 ASN 51 2HD2 ASN 51 -7.668 7.856 -0.638 386 H LYS 52 H LYS 52 -3.899 11.728 0.566 387 HA LYS 52 HA LYS 52 -1.768 10.426 2.147 388 HB2 LYS 52 2HB LYS 52 -3.485 12.883 2.702 389 HB3 LYS 52 3HB LYS 52 -2.184 12.282 3.753 390 HG2 LYS 52 2HG LYS 52 -0.589 12.426 1.834 391 HG3 LYS 52 3HG LYS 52 -1.861 13.178 0.852 392 HD2 LYS 52 2HD LYS 52 -1.991 15.059 2.442 393 HD3 LYS 52 3HD LYS 52 -0.756 14.282 3.469 394 HE2 LYS 52 2HE LYS 52 0.822 14.291 1.529 395 HE3 LYS 52 3HE LYS 52 -0.390 15.132 0.557 396 HZ1 LYS 52 3HZ LYS 52 1.215 16.651 1.497 397 HZ2 LYS 52 1HZ LYS 52 -0.276 16.967 2.120 398 HZ3 LYS 52 2HZ LYS 52 0.850 16.176 3.027 399 H LYS 53 H LYS 53 -4.389 8.933 1.587 400 HA LYS 53 HA LYS 53 -4.960 8.272 4.396 401 HB2 LYS 53 2HB LYS 53 -7.091 8.177 2.232 402 HB3 LYS 53 3HB LYS 53 -7.282 8.095 3.969 403 HG2 LYS 53 2HG LYS 53 -6.600 10.505 4.155 404 HG3 LYS 53 3HG LYS 53 -6.502 10.586 2.393 405 HD2 LYS 53 2HD LYS 53 -8.673 11.237 2.486 406 HD3 LYS 53 3HD LYS 53 -8.991 9.508 2.669 407 HE2 LYS 53 2HE LYS 53 -10.189 10.451 4.470 408 HE3 LYS 53 3HE LYS 53 -8.675 9.913 5.213 409 HZ1 LYS 53 3HZ LYS 53 -8.993 12.049 5.975 410 HZ2 LYS 53 1HZ LYS 53 -9.398 12.689 4.492 411 HZ3 LYS 53 2HZ LYS 53 -7.860 12.215 4.876 412 H CYS 54 H CYS 54 -5.815 6.108 4.597 413 HA CYS 54 HA CYS 54 -4.161 4.179 3.032 414 HB2 CYS 54 2HB CYS 54 -4.730 3.836 5.397 415 HB3 CYS 54 3HB CYS 54 -6.451 3.861 4.982 416 HA PRO 55 HA PRO 55 -7.259 4.018 -0.207 417 HB2 PRO 55 2HB PRO 55 -6.506 1.804 -1.546 418 HB3 PRO 55 3HB PRO 55 -5.467 3.215 -1.554 419 HG2 PRO 55 2HG PRO 55 -5.195 0.829 0.244 420 HG3 PRO 55 3HG PRO 55 -3.947 1.615 -0.767 421 HD2 PRO 55 2HD PRO 55 -4.247 2.224 1.854 422 HD3 PRO 55 3HD PRO 55 -3.806 3.463 0.700 423 H ILE 56 H ILE 56 -6.532 1.171 1.842 424 HA ILE 56 HA ILE 56 -9.050 -0.169 1.216 425 HB ILE 56 HB ILE 56 -6.758 -0.791 3.073 426 HG12 ILE 56 2HG1 ILE 56 -7.889 -2.182 0.594 427 HG13 ILE 56 3HG1 ILE 56 -6.576 -1.008 0.538 428 HG21 ILE 56 1HG2 ILE 56 -7.883 -2.973 3.501 429 HG22 ILE 56 2HG2 ILE 56 -8.844 -1.654 4.141 430 HG23 ILE 56 3HG2 ILE 56 -9.309 -2.411 2.606 431 HD11 ILE 56 3HD1 ILE 56 -5.616 -3.200 0.522 432 HD12 ILE 56 1HD1 ILE 56 -5.253 -2.440 2.092 433 HD13 ILE 56 2HD1 ILE 56 -6.526 -3.682 1.958 434 H CYS 57 H CYS 57 -7.570 0.894 4.328 435 HA CYS 57 HA CYS 57 -10.168 0.884 5.669 436 HB2 CYS 57 2HB CYS 57 -8.817 1.617 7.592 437 HB3 CYS 57 3HB CYS 57 -8.356 0.093 6.899 438 H ARG 58 H ARG 58 -8.506 3.290 3.795 439 HA ARG 58 HA ARG 58 -9.450 5.089 2.910 440 HB2 ARG 58 2HB ARG 58 -11.648 3.679 3.868 441 HB3 ARG 58 3HB ARG 58 -11.895 5.290 4.543 442 HG2 ARG 58 2HG ARG 58 -11.422 4.539 1.620 443 HG3 ARG 58 3HG ARG 58 -12.967 5.003 2.354 444 HD2 ARG 58 2HD ARG 58 -11.995 7.231 2.917 445 HD3 ARG 58 3HD ARG 58 -10.503 6.764 2.074 446 HE ARG 58 HE ARG 58 -12.706 6.348 0.338 447 HH11 ARG 58 2HH2 ARG 58 -10.922 8.941 1.842 448 HH12 ARG 58 1HH2 ARG 58 -11.151 10.113 0.578 449 HH21 ARG 58 2HH1 ARG 58 -13.105 7.868 -1.395 450 HH22 ARG 58 1HH1 ARG 58 -12.461 9.466 -1.318 451 H VAL 59 H VAL 59 -8.326 5.105 5.983 452 HA VAL 59 HA VAL 59 -9.099 7.929 6.525 453 HB VAL 59 HB VAL 59 -8.823 7.530 8.755 454 HG11 VAL 59 1HG1 VAL 59 -10.299 5.683 9.224 455 HG12 VAL 59 2HG1 VAL 59 -10.725 6.266 7.591 456 HG13 VAL 59 3HG1 VAL 59 -9.710 4.816 7.791 457 HG21 VAL 59 3HG2 VAL 59 -6.693 6.476 8.953 458 HG22 VAL 59 1HG2 VAL 59 -7.864 5.425 9.751 459 HG23 VAL 59 2HG2 VAL 59 -7.262 4.999 8.131 460 H ASP 60 H ASP 60 -7.482 9.398 7.577 461 HA ASP 60 HA ASP 60 -5.075 9.284 6.092 462 HB2 ASP 60 2HB ASP 60 -5.555 10.885 8.657 463 HB3 ASP 60 3HB ASP 60 -4.501 11.269 7.312 464 H ILE 61 H ILE 61 -3.294 8.122 6.571 465 HA ILE 61 HA ILE 61 -3.150 6.244 8.435 466 HB ILE 61 HB ILE 61 -0.752 7.740 7.367 467 HG12 ILE 61 2HG1 ILE 61 -1.195 5.480 5.789 468 HG13 ILE 61 3HG1 ILE 61 -2.833 6.034 6.058 469 HG21 ILE 61 1HG2 ILE 61 -1.206 4.881 8.278 470 HG22 ILE 61 2HG2 ILE 61 0.299 5.512 7.550 471 HG23 ILE 61 3HG2 ILE 61 -0.245 6.108 9.130 472 HD11 ILE 61 3HD1 ILE 61 -1.993 7.083 4.053 473 HD12 ILE 61 1HD1 ILE 61 -2.014 8.350 5.300 474 HD13 ILE 61 2HD1 ILE 61 -0.489 7.568 4.872 475 H GLU 62 H GLU 62 -2.262 9.624 8.892 476 HA GLU 62 HA GLU 62 -3.123 9.653 11.371 477 HB2 GLU 62 2HB GLU 62 -0.643 8.615 11.760 478 HB3 GLU 62 3HB GLU 62 -0.164 10.302 11.595 479 HG2 GLU 62 2HG GLU 62 -2.484 10.274 13.244 480 HG3 GLU 62 3HG GLU 62 -1.516 8.909 13.795 481 H ALA 63 H ALA 63 -2.088 12.115 12.325 482 HA ALA 63 HA ALA 63 -2.344 13.954 10.061 483 HB1 ALA 63 1HB ALA 63 -2.076 15.693 11.801 484 HB2 ALA 63 2HB ALA 63 -1.766 14.434 13.017 485 HB3 ALA 63 3HB ALA 63 -3.363 14.551 12.243 486 H GLN 64 H GLN 64 0.030 12.557 12.116 487 HA GLN 64 HA GLN 64 2.264 14.190 11.303 488 HB2 GLN 64 2HB GLN 64 2.161 11.309 12.381 489 HB3 GLN 64 3HB GLN 64 3.670 12.185 12.119 490 HG2 GLN 64 2HG GLN 64 1.473 12.976 14.074 491 HG3 GLN 64 3HG GLN 64 3.041 12.280 14.475 492 HE21 GLN 64 2HE2 GLN 64 1.309 15.209 13.783 493 HE22 GLN 64 1HE2 GLN 64 2.721 16.269 13.803 494 H LEU 65 H LEU 65 2.963 13.775 8.478 495 HA LEU 65 HA LEU 65 4.313 14.148 11.045 496 HB2 LEU 65 3HB LEU 65 2.833 15.989 10.304 497 HB3 LEU 65 2HB LEU 65 4.517 16.450 10.419 498 HG LEU 65 HG LEU 65 4.411 15.771 7.756 499 HD11 LEU 65 3HD2 LEU 65 2.361 16.702 6.800 500 HD12 LEU 65 1HD2 LEU 65 1.705 17.007 8.422 501 HD13 LEU 65 2HD2 LEU 65 1.935 15.349 7.859 502 HD21 LEU 65 1HD1 LEU 65 5.324 17.845 8.685 503 HD22 LEU 65 2HD1 LEU 65 4.245 18.190 7.328 504 HD23 LEU 65 3HD1 LEU 65 3.680 18.454 8.996 505 HA PRO 66 HA PRO 66 8.132 13.759 8.498 506 HB2 PRO 66 2HB PRO 66 8.238 12.713 6.030 507 HB3 PRO 66 3HB PRO 66 7.690 11.715 7.395 508 HG2 PRO 66 2HG PRO 66 5.917 13.202 5.420 509 HG3 PRO 66 3HG PRO 66 5.843 11.476 5.892 510 HD2 PRO 66 2HD PRO 66 4.330 13.456 7.079 511 HD3 PRO 66 3HD PRO 66 4.864 11.980 7.948 512 H SER 67 H SER 67 7.746 14.389 5.201 513 HA SER 67 HA SER 67 7.447 17.278 5.477 514 HB2 SER 67 2HB SER 67 9.601 17.057 6.370 515 HB3 SER 67 3HB SER 67 10.056 15.820 5.239 516 HG SER 67 HG SER 67 11.009 17.438 4.348 517 H GLU 68 H GLU 68 7.742 15.491 1.782 518 HA GLU 68 HA GLU 68 10.220 16.083 2.929 519 HB2 GLU 68 2HB GLU 68 9.470 13.951 4.278 520 HB3 GLU 68 3HB GLU 68 9.532 13.110 2.745 521 HG2 GLU 68 3HG GLU 68 11.560 12.716 4.018 522 HG3 GLU 68 2HG GLU 68 11.977 13.624 2.576 523 H SER 69 H SER 69 11.973 15.329 1.370 524 HA SER 69 HA SER 69 10.996 14.237 -1.163 525 HB2 SER 69 3HB SER 69 12.157 16.099 -2.411 526 HB3 SER 69 2HB SER 69 10.666 16.611 -1.585 527 HG SER 69 HG SER 69 13.167 16.764 -0.308 Start of MODEL 2 1 H1 MET 1 H1 MET 1 8.122 -21.434 3.291 2 H2 MET 1 H2 MET 1 9.419 -21.812 4.234 3 H3 MET 1 H3 MET 1 9.066 -20.237 3.907 4 HA MET 1 HA MET 1 10.954 -20.936 2.604 5 HB2 MET 1 2HB MET 1 9.099 -23.181 1.958 6 HB3 MET 1 3HB MET 1 10.065 -22.535 0.619 7 HG2 MET 1 2HG MET 1 12.126 -22.821 1.864 8 HG3 MET 1 3HG MET 1 11.243 -23.390 3.286 9 HE1 MET 1 3HE MET 1 13.753 -24.847 1.632 10 HE2 MET 1 1HE MET 1 13.107 -25.347 3.214 11 HE3 MET 1 2HE MET 1 13.239 -26.528 1.892 12 H LYS 2 H LYS 2 7.530 -20.729 1.382 13 HA LYS 2 HA LYS 2 8.385 -18.267 0.047 14 HB2 LYS 2 2HB LYS 2 8.538 -20.432 -1.438 15 HB3 LYS 2 3HB LYS 2 6.784 -20.447 -1.350 16 HG2 LYS 2 2HG LYS 2 7.519 -19.522 -3.395 17 HG3 LYS 2 3HG LYS 2 6.749 -18.234 -2.487 18 HD2 LYS 2 2HD LYS 2 9.768 -18.513 -2.377 19 HD3 LYS 2 3HD LYS 2 8.999 -17.915 -3.854 20 HE2 LYS 2 2HE LYS 2 7.718 -16.292 -2.252 21 HE3 LYS 2 3HE LYS 2 9.051 -16.612 -1.131 22 HZ1 LYS 2 3HZ LYS 2 10.545 -15.837 -2.944 23 HZ2 LYS 2 1HZ LYS 2 9.258 -15.596 -3.909 24 HZ3 LYS 2 2HZ LYS 2 9.423 -14.685 -2.593 25 H GLN 3 H GLN 3 5.773 -17.616 -0.920 26 HA GLN 3 HA GLN 3 4.260 -17.385 1.523 27 HB2 GLN 3 2HB GLN 3 2.414 -16.653 0.001 28 HB3 GLN 3 3HB GLN 3 3.871 -15.682 -0.061 29 HG2 GLN 3 2HG GLN 3 3.612 -17.855 -2.138 30 HG3 GLN 3 3HG GLN 3 2.519 -16.482 -2.248 31 HE21 GLN 3 1HE2 GLN 3 3.385 -15.394 -4.061 32 HE22 GLN 3 2HE2 GLN 3 5.064 -14.873 -4.113 33 H ASP 4 H ASP 4 3.545 -19.260 2.547 34 HA ASP 4 HA ASP 4 1.620 -20.825 1.041 35 HB2 ASP 4 2HB ASP 4 2.545 -22.965 1.467 36 HB3 ASP 4 3HB ASP 4 3.755 -22.028 0.613 37 H GLY 5 H GLY 5 -0.041 -21.509 2.357 38 HA2 GLY 5 2HA GLY 5 -1.366 -21.591 4.223 39 HA3 GLY 5 3HA GLY 5 0.106 -21.779 5.199 40 H GLU 6 H GLU 6 0.225 -20.252 6.678 41 HA GLU 6 HA GLU 6 -0.100 -18.452 7.941 42 HB2 GLU 6 2HB GLU 6 0.938 -17.225 5.393 43 HB3 GLU 6 3HB GLU 6 0.714 -16.302 6.896 44 HG2 GLU 6 2HG GLU 6 2.090 -17.926 8.138 45 HG3 GLU 6 3HG GLU 6 2.347 -18.874 6.676 46 H GLU 7 H GLU 7 -2.026 -18.098 8.789 47 HA GLU 7 HA GLU 7 -3.916 -16.343 7.367 48 HB2 GLU 7 2HB GLU 7 -4.701 -18.658 7.017 49 HB3 GLU 7 3HB GLU 7 -4.497 -19.018 8.731 50 HG2 GLU 7 2HG GLU 7 -6.853 -18.669 8.172 51 HG3 GLU 7 3HG GLU 7 -6.294 -17.465 9.328 52 H GLY 8 H GLY 8 -4.841 -14.877 8.863 53 HA2 GLY 8 2HA GLY 8 -5.115 -14.916 11.560 54 HA3 GLY 8 3HA GLY 8 -3.368 -14.658 11.406 55 H THR 9 H THR 9 -6.519 -13.126 11.236 56 HA THR 9 HA THR 9 -5.537 -10.733 9.888 57 HB THR 9 HB THR 9 -7.838 -9.987 10.381 58 HG1 THR 9 1HG THR 9 -8.126 -11.303 12.248 59 HG21 THR 9 1HG2 THR 9 -8.944 -11.557 8.840 60 HG22 THR 9 2HG2 THR 9 -7.299 -11.195 8.278 61 HG23 THR 9 3HG2 THR 9 -7.649 -12.743 9.077 62 H GLU 10 H GLU 10 -3.861 -9.858 11.282 63 HA GLU 10 HA GLU 10 -5.011 -8.580 13.698 64 HB2 GLU 10 2HB GLU 10 -3.167 -9.233 15.112 65 HB3 GLU 10 3HB GLU 10 -4.045 -10.603 14.495 66 HG2 GLU 10 2HG GLU 10 -2.071 -11.512 14.073 67 HG3 GLU 10 3HG GLU 10 -2.073 -10.538 12.613 68 H GLU 11 H GLU 11 -1.807 -8.674 11.930 69 HA GLU 11 HA GLU 11 -2.235 -5.848 11.310 70 HB2 GLU 11 2HB GLU 11 -0.670 -6.131 13.356 71 HB3 GLU 11 3HB GLU 11 0.465 -6.904 12.239 72 HG2 GLU 11 2HG GLU 11 0.309 -4.737 10.833 73 HG3 GLU 11 3HG GLU 11 -0.605 -4.043 12.161 74 H ASP 12 H ASP 12 -0.686 -5.323 9.359 75 HA ASP 12 HA ASP 12 -0.093 -5.755 7.267 76 HB2 ASP 12 2HB ASP 12 1.806 -6.514 8.893 77 HB3 ASP 12 3HB ASP 12 1.481 -8.126 8.253 78 H THR 13 H THR 13 -2.471 -6.406 7.167 79 HA THR 13 HA THR 13 -2.669 -9.033 5.836 80 HB THR 13 HB THR 13 -4.585 -7.924 7.040 81 HG1 THR 13 1HG THR 13 -4.876 -9.590 5.486 82 HG21 THR 13 1HG2 THR 13 -4.944 -6.343 4.518 83 HG22 THR 13 2HG2 THR 13 -5.746 -6.125 6.098 84 HG23 THR 13 3HG2 THR 13 -4.027 -5.666 5.888 85 H GLU 14 H GLU 14 -0.754 -8.726 4.673 86 HA GLU 14 HA GLU 14 -0.713 -6.826 2.463 87 HB2 GLU 14 2HB GLU 14 1.024 -8.231 1.471 88 HB3 GLU 14 3HB GLU 14 1.405 -7.746 3.123 89 HG2 GLU 14 2HG GLU 14 1.035 -9.944 3.981 90 HG3 GLU 14 3HG GLU 14 0.349 -10.502 2.448 91 H GLU 15 H GLU 15 -1.997 -6.957 0.650 92 HA GLU 15 HA GLU 15 -2.770 -9.586 -0.276 93 HB2 GLU 15 2HB GLU 15 -4.522 -8.355 1.372 94 HB3 GLU 15 3HB GLU 15 -5.003 -7.557 -0.113 95 HG2 GLU 15 2HG GLU 15 -4.707 -10.530 -0.321 96 HG3 GLU 15 3HG GLU 15 -5.896 -10.016 0.866 97 H LYS 16 H LYS 16 -4.365 -8.876 -2.367 98 HA LYS 16 HA LYS 16 -2.771 -8.115 -4.425 99 HB2 LYS 16 2HB LYS 16 -4.938 -9.109 -4.719 100 HB3 LYS 16 3HB LYS 16 -5.753 -7.804 -3.868 101 HG2 LYS 16 2HG LYS 16 -4.317 -6.962 -6.321 102 HG3 LYS 16 3HG LYS 16 -5.669 -8.071 -6.575 103 HD2 LYS 16 2HD LYS 16 -7.197 -6.576 -5.366 104 HD3 LYS 16 3HD LYS 16 -5.859 -5.501 -4.953 105 HE2 LYS 16 2HE LYS 16 -7.006 -4.506 -6.805 106 HE3 LYS 16 3HE LYS 16 -5.429 -5.089 -7.344 107 HZ1 LYS 16 3HZ LYS 16 -8.032 -6.386 -7.836 108 HZ2 LYS 16 1HZ LYS 16 -7.048 -5.661 -8.941 109 HZ3 LYS 16 2HZ LYS 16 -6.570 -7.053 -8.230 110 H CYS 17 H CYS 17 -1.830 -6.205 -5.214 111 HA CYS 17 HA CYS 17 -1.936 -3.875 -3.627 112 HB2 CYS 17 2HB CYS 17 -0.089 -4.677 -5.237 113 HB3 CYS 17 3HB CYS 17 -1.103 -3.929 -6.485 114 H THR 18 H THR 18 -3.171 -2.121 -3.879 115 HA THR 18 HA THR 18 -5.437 -2.323 -5.815 116 HB THR 18 HB THR 18 -5.428 -2.253 -3.044 117 HG1 THR 18 1HG THR 18 -7.124 -3.092 -3.925 118 HG21 THR 18 1HG2 THR 18 -6.405 0.410 -4.107 119 HG22 THR 18 2HG2 THR 18 -6.639 -0.225 -2.466 120 HG23 THR 18 3HG2 THR 18 -4.990 0.133 -3.044 121 H ILE 19 H ILE 19 -2.701 -0.381 -4.743 122 HA ILE 19 HA ILE 19 -3.524 1.962 -6.201 123 HB ILE 19 HB ILE 19 -0.884 0.972 -5.014 124 HG12 ILE 19 2HG1 ILE 19 -1.603 3.201 -3.606 125 HG13 ILE 19 3HG1 ILE 19 -3.207 2.618 -3.993 126 HG21 ILE 19 1HG2 ILE 19 -1.559 3.674 -6.207 127 HG22 ILE 19 2HG2 ILE 19 -0.068 3.263 -5.315 128 HG23 ILE 19 3HG2 ILE 19 -0.412 2.474 -6.857 129 HD11 ILE 19 3HD1 ILE 19 -2.256 1.827 -1.808 130 HD12 ILE 19 1HD1 ILE 19 -2.708 0.486 -2.875 131 HD13 ILE 19 2HD1 ILE 19 -0.997 0.952 -2.692 132 H CYS 20 H CYS 20 -1.544 -0.974 -6.759 133 HA CYS 20 HA CYS 20 -1.163 -0.265 -9.648 134 HB2 CYS 20 2HB CYS 20 -0.425 -2.786 -8.231 135 HB3 CYS 20 3HB CYS 20 0.125 -2.202 -9.793 136 H LEU 21 H LEU 21 -3.871 -1.050 -8.066 137 HA LEU 21 HA LEU 21 -5.643 -2.495 -8.284 138 HB2 LEU 21 2HB LEU 21 -5.078 -1.244 -10.888 139 HB3 LEU 21 3HB LEU 21 -6.377 -2.427 -10.760 140 HG LEU 21 HG LEU 21 -6.716 -0.859 -8.464 141 HD11 LEU 21 1HD1 LEU 21 -6.888 1.428 -9.263 142 HD12 LEU 21 2HD1 LEU 21 -5.219 0.845 -9.359 143 HD13 LEU 21 3HD1 LEU 21 -6.206 0.960 -10.842 144 HD21 LEU 21 3HD2 LEU 21 -8.420 -1.920 -9.812 145 HD22 LEU 21 1HD2 LEU 21 -8.793 -0.204 -9.557 146 HD23 LEU 21 2HD2 LEU 21 -8.152 -0.746 -11.131 147 H SER 22 H SER 22 -3.124 -4.071 -8.423 148 HA SER 22 HA SER 22 -4.291 -6.524 -9.583 149 HB2 SER 22 2HB SER 22 -3.031 -5.265 -11.424 150 HB3 SER 22 3HB SER 22 -1.546 -5.633 -10.515 151 HG SER 22 HG SER 22 -2.103 -7.232 -12.098 152 H ILE 23 H ILE 23 -2.678 -8.443 -9.212 153 HA ILE 23 HA ILE 23 -2.340 -8.553 -6.386 154 HB ILE 23 HB ILE 23 -1.170 -10.768 -7.130 155 HG12 ILE 23 2HG1 ILE 23 -1.235 -9.762 -9.623 156 HG13 ILE 23 3HG1 ILE 23 -1.238 -11.438 -9.197 157 HG21 ILE 23 1HG2 ILE 23 -4.138 -10.229 -7.404 158 HG22 ILE 23 2HG2 ILE 23 -3.375 -11.828 -7.190 159 HG23 ILE 23 3HG2 ILE 23 -3.249 -10.614 -5.921 160 HD11 ILE 23 3HD1 ILE 23 -2.949 -10.910 -10.906 161 HD12 ILE 23 1HD1 ILE 23 -3.596 -11.670 -9.439 162 HD13 ILE 23 2HD1 ILE 23 -3.810 -9.925 -9.700 163 H LEU 24 H LEU 24 -0.415 -8.751 -5.161 164 HA LEU 24 HA LEU 24 1.808 -7.208 -6.066 165 HB2 LEU 24 2HB LEU 24 1.133 -8.980 -3.696 166 HB3 LEU 24 3HB LEU 24 2.796 -8.520 -3.969 167 HG LEU 24 HG LEU 24 0.509 -6.573 -3.673 168 HD11 LEU 24 1HD1 LEU 24 0.991 -7.797 -1.567 169 HD12 LEU 24 2HD1 LEU 24 2.706 -7.346 -1.695 170 HD13 LEU 24 3HD1 LEU 24 1.463 -6.101 -1.435 171 HD21 LEU 24 3HD2 LEU 24 3.518 -6.141 -3.850 172 HD22 LEU 24 1HD2 LEU 24 2.268 -5.518 -4.950 173 HD23 LEU 24 2HD2 LEU 24 2.367 -4.904 -3.303 174 H GLU 25 H GLU 25 4.004 -8.071 -6.015 175 HA GLU 25 HA GLU 25 4.371 -10.698 -7.272 176 HB2 GLU 25 2HB GLU 25 5.441 -9.670 -9.215 177 HB3 GLU 25 3HB GLU 25 3.792 -9.026 -9.061 178 HG2 GLU 25 2HG GLU 25 4.904 -7.163 -7.618 179 HG3 GLU 25 3HG GLU 25 6.420 -7.706 -8.301 180 H GLU 26 H GLU 26 6.717 -11.302 -7.108 181 HA GLU 26 HA GLU 26 8.063 -9.792 -5.021 182 HB2 GLU 26 2HB GLU 26 9.631 -11.663 -4.947 183 HB3 GLU 26 3HB GLU 26 7.956 -12.092 -4.642 184 HG2 GLU 26 2HG GLU 26 7.793 -12.989 -7.002 185 HG3 GLU 26 3HG GLU 26 9.538 -12.724 -7.162 186 H GLY 27 H GLY 27 8.006 -8.015 -6.703 187 HA2 GLY 27 2HA GLY 27 10.030 -8.214 -8.834 188 HA3 GLY 27 3HA GLY 27 8.982 -6.828 -8.488 189 H GLU 28 H GLU 28 9.530 -5.991 -5.965 190 HA GLU 28 HA GLU 28 12.405 -5.889 -5.539 191 HB2 GLU 28 2HB GLU 28 11.363 -3.946 -7.044 192 HB3 GLU 28 3HB GLU 28 10.750 -3.372 -5.500 193 HG2 GLU 28 2HG GLU 28 13.413 -4.037 -4.935 194 HG3 GLU 28 3HG GLU 28 13.520 -3.481 -6.594 195 H ASP 29 H ASP 29 12.011 -3.830 -3.563 196 HA ASP 29 HA ASP 29 11.144 -5.605 -1.394 197 HB2 ASP 29 2HB ASP 29 13.218 -4.132 -1.351 198 HB3 ASP 29 3HB ASP 29 12.143 -2.737 -1.208 199 H VAL 30 H VAL 30 9.435 -5.055 0.075 200 HA VAL 30 HA VAL 30 7.320 -3.391 -1.166 201 HB VAL 30 HB VAL 30 5.809 -4.669 0.227 202 HG11 VAL 30 1HG1 VAL 30 5.807 -6.643 -1.273 203 HG12 VAL 30 2HG1 VAL 30 5.995 -5.084 -2.090 204 HG13 VAL 30 3HG1 VAL 30 7.420 -6.134 -1.859 205 HG21 VAL 30 3HG2 VAL 30 7.518 -5.546 1.833 206 HG22 VAL 30 1HG2 VAL 30 6.457 -6.805 1.159 207 HG23 VAL 30 2HG2 VAL 30 8.113 -6.616 0.540 208 H ARG 31 H ARG 31 5.761 -2.607 0.706 209 HA ARG 31 HA ARG 31 6.988 -2.190 3.239 210 HB2 ARG 31 2HB ARG 31 7.735 -0.208 1.395 211 HB3 ARG 31 3HB ARG 31 6.381 0.512 2.217 212 HG2 ARG 31 2HG ARG 31 8.468 1.130 3.341 213 HG3 ARG 31 3HG ARG 31 7.615 -0.005 4.428 214 HD2 ARG 31 2HD ARG 31 8.946 -1.862 3.624 215 HD3 ARG 31 3HD ARG 31 9.594 -0.868 2.286 216 HE ARG 31 HE ARG 31 10.445 0.232 4.743 217 HH11 ARG 31 2HH2 ARG 31 10.684 -2.654 2.634 218 HH12 ARG 31 1HH2 ARG 31 12.351 -2.878 2.822 219 HH21 ARG 31 2HH1 ARG 31 12.763 -0.197 5.188 220 HH22 ARG 31 1HH1 ARG 31 13.532 -1.545 4.412 221 H ARG 32 H ARG 32 5.481 -1.404 4.861 222 HA ARG 32 HA ARG 32 2.755 -1.342 3.796 223 HB2 ARG 32 2HB ARG 32 2.060 -1.850 6.102 224 HB3 ARG 32 3HB ARG 32 3.065 -3.115 5.433 225 HG2 ARG 32 2HG ARG 32 4.536 -1.054 7.022 226 HG3 ARG 32 3HG ARG 32 3.293 -1.943 7.904 227 HD2 ARG 32 2HD ARG 32 4.346 -4.075 6.856 228 HD3 ARG 32 3HD ARG 32 5.715 -3.062 6.474 229 HE ARG 32 HE ARG 32 6.248 -2.923 8.770 230 HH11 ARG 32 2HH2 ARG 32 3.261 -4.793 8.338 231 HH12 ARG 32 1HH2 ARG 32 2.882 -4.797 10.045 232 HH21 ARG 32 2HH1 ARG 32 5.778 -3.201 11.121 233 HH22 ARG 32 1HH1 ARG 32 4.283 -4.011 11.528 234 H LEU 33 H LEU 33 1.238 0.072 4.696 235 HA LEU 33 HA LEU 33 2.421 2.738 5.201 236 HB2 LEU 33 2HB LEU 33 -0.496 2.236 5.680 237 HB3 LEU 33 3HB LEU 33 0.359 3.678 5.169 238 HG LEU 33 HG LEU 33 0.814 2.313 3.020 239 HD11 LEU 33 1HD1 LEU 33 -1.360 0.748 4.355 240 HD12 LEU 33 2HD1 LEU 33 -1.565 1.072 2.634 241 HD13 LEU 33 3HD1 LEU 33 -0.125 0.213 3.202 242 HD21 LEU 33 3HD2 LEU 33 -1.855 3.575 3.664 243 HD22 LEU 33 1HD2 LEU 33 -0.384 4.405 3.099 244 HD23 LEU 33 2HD2 LEU 33 -1.222 3.281 2.020 245 HA PRO 34 HA PRO 34 2.537 1.920 9.574 246 HB2 PRO 34 2HB PRO 34 1.520 4.555 10.336 247 HB3 PRO 34 3HB PRO 34 3.152 3.868 10.518 248 HG2 PRO 34 2HG PRO 34 2.266 5.826 8.595 249 HG3 PRO 34 3HG PRO 34 3.882 5.090 8.730 250 HD2 PRO 34 2HD PRO 34 1.875 4.601 6.710 251 HD3 PRO 34 3HD PRO 34 3.494 3.866 6.865 252 H CYS 35 H CYS 35 -0.446 2.594 7.935 253 HA CYS 35 HA CYS 35 -2.233 2.717 10.198 254 HB2 CYS 35 2HB CYS 35 -3.956 2.440 8.682 255 HB3 CYS 35 3HB CYS 35 -2.774 3.446 7.849 256 H MET 36 H MET 36 -0.847 0.062 8.382 257 HA MET 36 HA MET 36 -0.688 -2.052 9.877 258 HB2 MET 36 2HB MET 36 -2.715 -1.933 11.044 259 HB3 MET 36 3HB MET 36 -3.684 -1.709 9.566 260 HG2 MET 36 2HG MET 36 -2.077 -4.205 9.949 261 HG3 MET 36 3HG MET 36 -3.560 -4.008 10.871 262 HE1 MET 36 3HE MET 36 -6.427 -4.153 8.420 263 HE2 MET 36 1HE MET 36 -5.875 -4.315 10.100 264 HE3 MET 36 2HE MET 36 -5.721 -2.755 9.264 265 H HIS 37 H HIS 37 -2.665 -1.224 7.007 266 HA HIS 37 HA HIS 37 -2.316 -3.722 5.694 267 HB2 HIS 37 1HB HIS 37 -2.966 -0.975 4.561 268 HB3 HIS 37 2HB HIS 37 -3.211 -2.490 3.738 269 HD2 HIS 37 2HD HIS 37 -5.051 -4.141 4.519 270 HE1 HIS 37 1HE HIS 37 -7.346 -1.443 6.879 271 HE2 HIS 37 2HE HIS 37 -7.304 -3.785 5.818 272 H LEU 38 H LEU 38 -1.083 -4.207 3.770 273 HA LEU 38 HA LEU 38 1.472 -2.689 3.599 274 HB2 LEU 38 2HB LEU 38 1.806 -4.755 4.606 275 HB3 LEU 38 3HB LEU 38 0.993 -5.620 3.299 276 HG LEU 38 HG LEU 38 3.388 -3.944 2.676 277 HD11 LEU 38 1HD1 LEU 38 4.143 -5.176 4.642 278 HD12 LEU 38 2HD1 LEU 38 3.581 -6.693 3.934 279 HD13 LEU 38 3HD1 LEU 38 4.925 -5.811 3.178 280 HD21 LEU 38 3HD2 LEU 38 2.872 -6.757 1.671 281 HD22 LEU 38 1HD2 LEU 38 1.981 -5.416 0.949 282 HD23 LEU 38 2HD2 LEU 38 3.752 -5.452 0.887 283 H PHE 39 H PHE 39 2.518 -2.534 1.543 284 HA PHE 39 HA PHE 39 1.142 -3.472 -0.866 285 HB2 PHE 39 2HB PHE 39 1.506 -0.520 -0.216 286 HB3 PHE 39 3HB PHE 39 1.336 -1.068 -1.873 287 HD1 PHE 39 2HD PHE 39 -0.623 -2.880 -2.213 288 HD2 PHE 39 1HD PHE 39 -0.495 0.118 0.849 289 HE1 PHE 39 2HE PHE 39 -3.115 -3.023 -1.976 290 HE2 PHE 39 1HE PHE 39 -2.959 -0.039 1.103 291 HZ PHE 39 HZ PHE 39 -4.277 -1.532 -0.436 292 H HIS 40 H HIS 40 2.612 -2.248 -2.862 293 HA HIS 40 HA HIS 40 5.348 -3.170 -2.509 294 HB2 HIS 40 1HB HIS 40 4.204 -1.174 -4.491 295 HB3 HIS 40 2HB HIS 40 5.817 -1.798 -4.510 296 HD2 HIS 40 2HD HIS 40 6.261 -4.265 -5.357 297 HE1 HIS 40 1HE HIS 40 2.831 -4.222 -7.853 298 HE2 HIS 40 2HE HIS 40 5.058 -5.238 -7.504 299 H GLN 41 H GLN 41 7.162 -1.834 -1.965 300 HA GLN 41 HA GLN 41 6.820 0.451 -0.385 301 HB2 GLN 41 2HB GLN 41 8.860 -0.984 -0.389 302 HB3 GLN 41 3HB GLN 41 9.130 -0.647 -2.083 303 HG2 GLN 41 2HG GLN 41 9.123 1.708 -0.228 304 HG3 GLN 41 3HG GLN 41 10.472 0.576 -0.105 305 HE21 GLN 41 1HE2 GLN 41 11.470 -0.133 -2.495 306 HE22 GLN 41 2HE2 GLN 41 11.676 1.271 -3.475 307 H VAL 42 H VAL 42 7.802 0.147 -3.762 308 HA VAL 42 HA VAL 42 7.907 2.935 -4.206 309 HB VAL 42 HB VAL 42 8.509 0.755 -5.667 310 HG11 VAL 42 1HG1 VAL 42 7.276 0.622 -7.737 311 HG12 VAL 42 2HG1 VAL 42 6.183 0.290 -6.384 312 HG13 VAL 42 3HG1 VAL 42 6.141 1.872 -7.207 313 HG21 VAL 42 3HG2 VAL 42 8.039 3.546 -6.791 314 HG22 VAL 42 1HG2 VAL 42 9.488 2.990 -5.923 315 HG23 VAL 42 2HG2 VAL 42 9.094 2.305 -7.509 316 H CYS 43 H CYS 43 5.158 0.897 -3.897 317 HA CYS 43 HA CYS 43 3.240 2.762 -5.331 318 HB2 CYS 43 2HB CYS 43 2.914 0.307 -3.611 319 HB3 CYS 43 3HB CYS 43 1.608 1.348 -4.116 320 H VAL 44 H VAL 44 4.278 1.913 -1.939 321 HA VAL 44 HA VAL 44 2.172 3.371 -0.743 322 HB VAL 44 HB VAL 44 4.152 1.631 0.051 323 HG11 VAL 44 1HG1 VAL 44 5.877 3.367 0.150 324 HG12 VAL 44 2HG1 VAL 44 4.909 4.272 1.342 325 HG13 VAL 44 3HG1 VAL 44 5.537 2.661 1.736 326 HG21 VAL 44 3HG2 VAL 44 2.502 3.483 1.786 327 HG22 VAL 44 1HG2 VAL 44 1.983 1.934 1.064 328 HG23 VAL 44 2HG2 VAL 44 3.252 1.948 2.305 329 H ASP 45 H ASP 45 5.173 4.187 -2.189 330 HA ASP 45 HA ASP 45 5.442 6.873 -1.043 331 HB2 ASP 45 2HB ASP 45 7.439 5.762 -1.857 332 HB3 ASP 45 3HB ASP 45 6.739 5.556 -3.466 333 H GLN 46 H GLN 46 4.805 5.903 -4.480 334 HA GLN 46 HA GLN 46 3.909 8.493 -5.169 335 HB2 GLN 46 2HB GLN 46 3.159 5.837 -6.472 336 HB3 GLN 46 3HB GLN 46 2.923 7.448 -7.174 337 HG2 GLN 46 2HG GLN 46 5.462 7.798 -6.831 338 HG3 GLN 46 3HG GLN 46 5.555 6.054 -6.559 339 HE21 GLN 46 1HE2 GLN 46 5.314 8.577 -8.961 340 HE22 GLN 46 2HE2 GLN 46 5.168 7.490 -10.338 341 H TRP 47 H TRP 47 2.194 5.932 -3.536 342 HA TRP 47 HA TRP 47 -0.447 6.985 -3.922 343 HB2 TRP 47 2HB TRP 47 0.068 4.657 -3.206 344 HB3 TRP 47 3HB TRP 47 0.689 5.266 -1.667 345 HD1 TRP 47 HD1 TRP 47 -1.077 5.073 0.180 346 HE1 TRP 47 HE1 TRP 47 -3.652 5.045 0.299 347 HE3 TRP 47 HE3 TRP 47 -2.158 6.054 -4.727 348 HZ2 TRP 47 HZ2 TRP 47 -5.814 5.020 -1.544 349 HZ3 TRP 47 HZ3 TRP 47 -4.490 6.265 -5.465 350 HH2 TRP 47 HH2 TRP 47 -6.361 5.663 -3.922 351 H LEU 48 H LEU 48 1.866 7.213 -1.155 352 HA LEU 48 HA LEU 48 0.489 9.051 0.374 353 HB2 LEU 48 2HB LEU 48 3.298 8.179 -0.018 354 HB3 LEU 48 3HB LEU 48 3.180 9.797 0.585 355 HG LEU 48 HG LEU 48 1.739 7.416 1.817 356 HD11 LEU 48 1HD1 LEU 48 3.515 7.473 3.539 357 HD12 LEU 48 2HD1 LEU 48 4.179 7.133 1.929 358 HD13 LEU 48 3HD1 LEU 48 4.352 8.757 2.632 359 HD21 LEU 48 3HD2 LEU 48 0.712 9.602 2.418 360 HD22 LEU 48 1HD2 LEU 48 1.548 8.906 3.811 361 HD23 LEU 48 2HD2 LEU 48 2.302 10.225 2.890 362 H ILE 49 H ILE 49 2.427 9.716 -2.591 363 HA ILE 49 HA ILE 49 2.252 12.533 -2.437 364 HB ILE 49 HB ILE 49 2.489 10.660 -4.790 365 HG12 ILE 49 2HG1 ILE 49 4.316 10.503 -3.110 366 HG13 ILE 49 3HG1 ILE 49 4.788 10.977 -4.728 367 HG21 ILE 49 1HG2 ILE 49 1.681 12.687 -5.696 368 HG22 ILE 49 2HG2 ILE 49 2.762 13.656 -4.679 369 HG23 ILE 49 3HG2 ILE 49 3.426 12.637 -5.987 370 HD11 ILE 49 3HD1 ILE 49 4.362 12.891 -2.420 371 HD12 ILE 49 1HD1 ILE 49 5.934 12.295 -2.998 372 HD13 ILE 49 2HD1 ILE 49 4.933 13.313 -4.055 373 H THR 50 H THR 50 -0.137 10.094 -3.773 374 HA THR 50 HA THR 50 -1.864 12.348 -4.571 375 HB THR 50 HB THR 50 -3.308 10.476 -5.430 376 HG1 THR 50 1HG THR 50 -2.291 8.437 -5.567 377 HG21 THR 50 1HG2 THR 50 -1.638 11.640 -6.872 378 HG22 THR 50 2HG2 THR 50 -0.418 10.430 -6.412 379 HG23 THR 50 3HG2 THR 50 -1.855 9.942 -7.332 380 H ASN 51 H ASN 51 -2.562 9.284 -2.850 381 HA ASN 51 HA ASN 51 -4.552 10.753 -1.189 382 HB2 ASN 51 2HB ASN 51 -4.190 7.930 -2.147 383 HB3 ASN 51 3HB ASN 51 -5.071 8.192 -0.647 384 HD21 ASN 51 1HD2 ASN 51 -7.222 8.916 -0.742 385 HD22 ASN 51 2HD2 ASN 51 -7.971 9.364 -2.275 386 H LYS 52 H LYS 52 -3.390 11.593 0.525 387 HA LYS 52 HA LYS 52 -1.594 9.950 2.129 388 HB2 LYS 52 2HB LYS 52 -1.780 11.795 3.777 389 HB3 LYS 52 3HB LYS 52 -1.323 12.356 2.171 390 HG2 LYS 52 2HG LYS 52 -3.362 13.394 1.769 391 HG3 LYS 52 3HG LYS 52 -4.267 12.375 2.887 392 HD2 LYS 52 2HD LYS 52 -3.735 13.592 4.734 393 HD3 LYS 52 3HD LYS 52 -2.143 14.080 4.134 394 HE2 LYS 52 2HE LYS 52 -4.730 15.130 2.932 395 HE3 LYS 52 3HE LYS 52 -3.928 15.918 4.292 396 HZ1 LYS 52 3HZ LYS 52 -3.206 16.903 2.249 397 HZ2 LYS 52 1HZ LYS 52 -1.929 16.106 2.923 398 HZ3 LYS 52 2HZ LYS 52 -2.717 15.452 1.643 399 H LYS 53 H LYS 53 -4.055 8.453 1.713 400 HA LYS 53 HA LYS 53 -4.947 8.196 4.492 401 HB2 LYS 53 2HB LYS 53 -6.890 8.107 2.133 402 HB3 LYS 53 3HB LYS 53 -7.247 7.966 3.847 403 HG2 LYS 53 2HG LYS 53 -6.494 10.361 4.155 404 HG3 LYS 53 3HG LYS 53 -6.294 10.469 2.400 405 HD2 LYS 53 2HD LYS 53 -8.441 11.325 2.618 406 HD3 LYS 53 3HD LYS 53 -8.787 9.619 2.319 407 HE2 LYS 53 2HE LYS 53 -10.149 10.061 4.176 408 HE3 LYS 53 3HE LYS 53 -8.702 9.389 4.930 409 HZ1 LYS 53 3HZ LYS 53 -7.956 11.780 5.151 410 HZ2 LYS 53 1HZ LYS 53 -9.494 12.237 4.796 411 HZ3 LYS 53 2HZ LYS 53 -9.118 11.331 6.129 412 H CYS 54 H CYS 54 -5.812 6.032 4.796 413 HA CYS 54 HA CYS 54 -4.152 3.983 3.436 414 HB2 CYS 54 2HB CYS 54 -4.850 3.885 5.795 415 HB3 CYS 54 3HB CYS 54 -6.545 3.851 5.261 416 HA PRO 55 HA PRO 55 -7.113 3.899 0.065 417 HB2 PRO 55 2HB PRO 55 -6.209 1.233 -0.684 418 HB3 PRO 55 3HB PRO 55 -6.026 2.732 -1.600 419 HG2 PRO 55 2HG PRO 55 -4.041 1.258 -0.296 420 HG3 PRO 55 3HG PRO 55 -3.884 2.926 -0.812 421 HD2 PRO 55 2HD PRO 55 -4.319 1.843 1.920 422 HD3 PRO 55 3HD PRO 55 -3.639 3.417 1.441 423 H ILE 56 H ILE 56 -6.553 1.011 2.155 424 HA ILE 56 HA ILE 56 -9.107 -0.176 1.490 425 HB ILE 56 HB ILE 56 -7.272 -0.864 3.810 426 HG12 ILE 56 2HG1 ILE 56 -6.729 -2.838 2.229 427 HG13 ILE 56 3HG1 ILE 56 -7.220 -1.775 0.916 428 HG21 ILE 56 1HG2 ILE 56 -9.466 -2.388 2.364 429 HG22 ILE 56 2HG2 ILE 56 -8.451 -3.038 3.666 430 HG23 ILE 56 3HG2 ILE 56 -9.575 -1.717 4.005 431 HD11 ILE 56 3HD1 ILE 56 -5.209 -0.794 2.974 432 HD12 ILE 56 1HD1 ILE 56 -4.701 -1.936 1.733 433 HD13 ILE 56 2HD1 ILE 56 -5.369 -0.355 1.262 434 H CYS 57 H CYS 57 -7.706 1.052 4.579 435 HA CYS 57 HA CYS 57 -10.367 1.055 5.818 436 HB2 CYS 57 2HB CYS 57 -9.088 1.671 7.809 437 HB3 CYS 57 3HB CYS 57 -8.603 0.181 7.076 438 H ARG 58 H ARG 58 -8.598 3.384 3.969 439 HA ARG 58 HA ARG 58 -9.416 5.242 3.067 440 HB2 ARG 58 2HB ARG 58 -11.637 3.820 3.718 441 HB3 ARG 58 3HB ARG 58 -11.959 5.291 4.632 442 HG2 ARG 58 2HG ARG 58 -11.386 5.050 1.641 443 HG3 ARG 58 3HG ARG 58 -12.968 5.294 2.392 444 HD2 ARG 58 2HD ARG 58 -12.027 7.429 3.414 445 HD3 ARG 58 3HD ARG 58 -10.642 7.251 2.331 446 HE ARG 58 HE ARG 58 -13.308 8.169 1.724 447 HH11 ARG 58 2HH2 ARG 58 -10.587 6.472 0.255 448 HH12 ARG 58 1HH2 ARG 58 -10.983 6.896 -1.374 449 HH21 ARG 58 2HH1 ARG 58 -13.868 8.763 -0.442 450 HH22 ARG 58 1HH1 ARG 58 -12.899 8.247 -1.769 451 H VAL 59 H VAL 59 -8.369 5.162 6.115 452 HA VAL 59 HA VAL 59 -9.123 7.976 6.757 453 HB VAL 59 HB VAL 59 -8.758 7.538 8.968 454 HG11 VAL 59 1HG1 VAL 59 -10.713 6.318 7.857 455 HG12 VAL 59 2HG1 VAL 59 -9.709 4.851 7.990 456 HG13 VAL 59 3HG1 VAL 59 -10.231 5.699 9.461 457 HG21 VAL 59 3HG2 VAL 59 -6.637 6.477 9.058 458 HG22 VAL 59 1HG2 VAL 59 -7.776 5.413 9.886 459 HG23 VAL 59 2HG2 VAL 59 -7.241 5.014 8.235 460 H ASP 60 H ASP 60 -7.435 9.429 7.705 461 HA ASP 60 HA ASP 60 -5.010 9.197 6.216 462 HB2 ASP 60 2HB ASP 60 -5.444 10.922 8.700 463 HB3 ASP 60 3HB ASP 60 -4.394 11.205 7.331 464 H ILE 61 H ILE 61 -3.403 7.863 6.781 465 HA ILE 61 HA ILE 61 -3.354 6.119 8.751 466 HB ILE 61 HB ILE 61 -0.912 7.492 7.605 467 HG12 ILE 61 2HG1 ILE 61 -1.396 5.081 6.253 468 HG13 ILE 61 3HG1 ILE 61 -3.011 5.727 6.447 469 HG21 ILE 61 1HG2 ILE 61 -1.403 4.869 9.014 470 HG22 ILE 61 2HG2 ILE 61 0.032 5.151 7.990 471 HG23 ILE 61 3HG2 ILE 61 -0.248 6.138 9.436 472 HD11 ILE 61 3HD1 ILE 61 -2.084 6.549 4.364 473 HD12 ILE 61 1HD1 ILE 61 -2.121 7.926 5.488 474 HD13 ILE 61 2HD1 ILE 61 -0.596 7.085 5.179 475 H GLU 62 H GLU 62 -2.243 9.467 9.061 476 HA GLU 62 HA GLU 62 -2.845 9.673 11.665 477 HB2 GLU 62 2HB GLU 62 -0.557 10.159 12.605 478 HB3 GLU 62 3HB GLU 62 -0.925 8.449 12.368 479 HG2 GLU 62 2HG GLU 62 0.645 8.157 10.718 480 HG3 GLU 62 3HG GLU 62 0.494 9.801 10.105 481 H ALA 63 H ALA 63 -2.639 11.880 12.302 482 HA ALA 63 HA ALA 63 -2.928 14.082 11.815 483 HB1 ALA 63 1HB ALA 63 -0.788 15.206 11.502 484 HB2 ALA 63 2HB ALA 63 -0.540 13.777 12.507 485 HB3 ALA 63 3HB ALA 63 -0.078 13.729 10.796 486 H GLN 64 H GLN 64 -1.379 15.523 9.621 487 HA GLN 64 HA GLN 64 -1.829 14.318 7.168 488 HB2 GLN 64 2HB GLN 64 -3.395 16.081 6.219 489 HB3 GLN 64 3HB GLN 64 -4.155 14.797 7.138 490 HG2 GLN 64 2HG GLN 64 -3.456 17.388 8.552 491 HG3 GLN 64 3HG GLN 64 -4.822 17.347 7.443 492 HE21 GLN 64 1HE2 GLN 64 -3.861 16.621 10.692 493 HE22 GLN 64 2HE2 GLN 64 -5.350 15.759 11.092 494 H LEU 65 H LEU 65 -0.613 15.490 5.591 495 HA LEU 65 HA LEU 65 0.061 18.264 6.041 496 HB2 LEU 65 2HB LEU 65 2.484 17.949 5.995 497 HB3 LEU 65 3HB LEU 65 1.795 17.246 7.428 498 HG LEU 65 HG LEU 65 2.270 15.429 5.060 499 HD11 LEU 65 1HD1 LEU 65 4.314 16.813 5.205 500 HD12 LEU 65 2HD1 LEU 65 4.455 16.442 6.930 501 HD13 LEU 65 3HD1 LEU 65 4.628 15.148 5.724 502 HD21 LEU 65 3HD2 LEU 65 1.276 14.503 7.160 503 HD22 LEU 65 1HD2 LEU 65 2.888 13.839 6.861 504 HD23 LEU 65 2HD2 LEU 65 2.670 15.111 8.075 505 HA PRO 66 HA PRO 66 0.328 17.630 1.562 506 HB2 PRO 66 2HB PRO 66 1.433 19.918 0.669 507 HB3 PRO 66 3HB PRO 66 -0.053 19.993 1.660 508 HG2 PRO 66 2HG PRO 66 2.816 20.304 2.625 509 HG3 PRO 66 3HG PRO 66 1.446 21.431 2.885 510 HD2 PRO 66 2HD PRO 66 2.159 19.525 4.703 511 HD3 PRO 66 3HD PRO 66 0.455 20.011 4.472 512 H SER 67 H SER 67 2.284 16.160 3.019 513 HA SER 67 HA SER 67 4.095 14.904 2.572 514 HB2 SER 67 2HB SER 67 3.310 15.397 0.114 515 HB3 SER 67 3HB SER 67 4.753 16.433 0.061 516 HG SER 67 HG SER 67 4.556 13.680 0.151 517 H GLU 68 H GLU 68 6.493 15.024 2.640 518 HA GLU 68 HA GLU 68 7.841 17.556 2.867 519 HB2 GLU 68 2HB GLU 68 6.611 17.418 5.094 520 HB3 GLU 68 3HB GLU 68 7.435 15.895 5.402 521 HG2 GLU 68 2HG GLU 68 9.043 17.135 6.386 522 HG3 GLU 68 3HG GLU 68 9.557 17.594 4.764 523 H SER 69 H SER 69 9.868 16.909 1.957 524 HA SER 69 HA SER 69 11.343 14.759 2.976 525 HB2 SER 69 2HB SER 69 9.706 13.395 1.602 526 HB3 SER 69 3HB SER 69 10.243 14.294 0.167 527 HG SER 69 HG SER 69 12.414 13.583 0.837 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -0.697 -2.427 15.596 2 H2 MET 1 H2 MET 1 -0.205 -1.083 14.761 3 H3 MET 1 H3 MET 1 0.795 -2.369 14.945 4 HA MET 1 HA MET 1 1.570 -0.766 16.454 5 HB2 MET 1 2HB MET 1 -1.372 -0.550 17.114 6 HB3 MET 1 3HB MET 1 -0.155 -0.177 18.346 7 HG2 MET 1 2HG MET 1 0.915 1.454 16.842 8 HG3 MET 1 3HG MET 1 -0.286 1.100 15.596 9 HE1 MET 1 3HE MET 1 -0.355 1.808 19.526 10 HE2 MET 1 1HE MET 1 0.587 3.133 18.796 11 HE3 MET 1 2HE MET 1 -1.003 3.461 19.516 12 H LYS 2 H LYS 2 2.863 -2.041 17.748 13 HA LYS 2 HA LYS 2 1.669 -3.484 19.891 14 HB2 LYS 2 2HB LYS 2 2.942 -5.611 19.468 15 HB3 LYS 2 3HB LYS 2 1.508 -5.399 18.486 16 HG2 LYS 2 2HG LYS 2 4.288 -4.714 17.451 17 HG3 LYS 2 3HG LYS 2 3.621 -6.342 17.370 18 HD2 LYS 2 2HD LYS 2 2.456 -5.856 15.512 19 HD3 LYS 2 3HD LYS 2 1.601 -4.579 16.334 20 HE2 LYS 2 2HE LYS 2 2.667 -3.358 14.669 21 HE3 LYS 2 3HE LYS 2 3.865 -3.211 15.970 22 HZ1 LYS 2 3HZ LYS 2 3.811 -5.105 13.737 23 HZ2 LYS 2 1HZ LYS 2 4.862 -3.854 13.909 24 HZ3 LYS 2 2HZ LYS 2 4.963 -5.157 14.935 25 H GLN 3 H GLN 3 3.530 -4.195 21.399 26 HA GLN 3 HA GLN 3 5.902 -2.493 20.957 27 HB2 GLN 3 2HB GLN 3 5.901 -1.871 23.280 28 HB3 GLN 3 3HB GLN 3 4.346 -1.441 22.570 29 HG2 GLN 3 2HG GLN 3 3.494 -3.700 23.562 30 HG3 GLN 3 3HG GLN 3 4.978 -3.673 24.530 31 HE21 GLN 3 1HE2 GLN 3 1.929 -3.286 25.143 32 HE22 GLN 3 2HE2 GLN 3 1.986 -1.844 26.151 33 H ASP 4 H ASP 4 7.484 -4.016 20.461 34 HA ASP 4 HA ASP 4 8.228 -5.829 22.491 35 HB2 ASP 4 2HB ASP 4 6.216 -6.978 21.019 36 HB3 ASP 4 3HB ASP 4 7.591 -7.403 20.009 37 H GLY 5 H GLY 5 9.993 -7.426 21.235 38 HA2 GLY 5 2HA GLY 5 11.267 -6.082 18.968 39 HA3 GLY 5 3HA GLY 5 12.246 -6.235 20.451 40 H GLU 6 H GLU 6 13.613 -7.710 19.102 41 HA GLU 6 HA GLU 6 14.395 -9.720 18.532 42 HB2 GLU 6 2HB GLU 6 12.506 -10.432 20.643 43 HB3 GLU 6 3HB GLU 6 12.656 -11.718 19.436 44 HG2 GLU 6 2HG GLU 6 15.057 -11.772 19.689 45 HG3 GLU 6 3HG GLU 6 15.048 -10.291 20.655 46 H GLU 7 H GLU 7 10.816 -10.290 18.145 47 HA GLU 7 HA GLU 7 11.226 -10.363 15.237 48 HB2 GLU 7 2HB GLU 7 11.547 -12.746 16.405 49 HB3 GLU 7 3HB GLU 7 9.794 -12.680 16.571 50 HG2 GLU 7 2HG GLU 7 10.287 -13.884 14.560 51 HG3 GLU 7 3HG GLU 7 9.651 -12.322 14.059 52 H GLY 8 H GLY 8 8.931 -10.446 14.179 53 HA2 GLY 8 2HA GLY 8 6.774 -9.691 16.063 54 HA3 GLY 8 3HA GLY 8 7.273 -8.476 14.871 55 H THR 9 H THR 9 4.760 -10.293 15.315 56 HA THR 9 HA THR 9 4.299 -10.716 12.484 57 HB THR 9 HB THR 9 5.311 -12.769 12.822 58 HG1 THR 9 1HG THR 9 3.417 -13.078 11.763 59 HG21 THR 9 1HG2 THR 9 5.517 -12.868 15.190 60 HG22 THR 9 2HG2 THR 9 3.760 -13.022 15.405 61 HG23 THR 9 3HG2 THR 9 4.683 -14.335 14.643 62 H GLU 10 H GLU 10 2.648 -9.124 12.612 63 HA GLU 10 HA GLU 10 0.184 -9.959 13.736 64 HB2 GLU 10 2HB GLU 10 1.917 -8.304 15.455 65 HB3 GLU 10 3HB GLU 10 0.496 -7.397 14.974 66 HG2 GLU 10 2HG GLU 10 -0.731 -9.727 15.639 67 HG3 GLU 10 3HG GLU 10 0.683 -9.831 16.699 68 H GLU 11 H GLU 11 -1.394 -8.033 13.500 69 HA GLU 11 HA GLU 11 -2.550 -6.846 12.036 70 HB2 GLU 11 2HB GLU 11 -1.873 -4.673 11.713 71 HB3 GLU 11 3HB GLU 11 -1.128 -5.172 13.200 72 HG2 GLU 11 2HG GLU 11 0.717 -5.525 10.918 73 HG3 GLU 11 3HG GLU 11 0.058 -3.917 10.956 74 H ASP 12 H ASP 12 -0.974 -5.408 9.630 75 HA ASP 12 HA ASP 12 -0.491 -5.833 7.487 76 HB2 ASP 12 2HB ASP 12 1.394 -6.660 9.079 77 HB3 ASP 12 3HB ASP 12 0.996 -8.267 8.478 78 H THR 13 H THR 13 -2.650 -6.280 6.913 79 HA THR 13 HA THR 13 -3.102 -9.050 5.939 80 HB THR 13 HB THR 13 -4.986 -7.962 6.965 81 HG1 THR 13 1HG THR 13 -6.432 -8.236 5.263 82 HG21 THR 13 1HG2 THR 13 -4.591 -5.844 4.850 83 HG22 THR 13 2HG2 THR 13 -6.031 -5.973 5.885 84 HG23 THR 13 3HG2 THR 13 -4.441 -5.617 6.594 85 H GLU 14 H GLU 14 -0.849 -8.449 4.965 86 HA GLU 14 HA GLU 14 -0.766 -6.890 2.616 87 HB2 GLU 14 2HB GLU 14 1.081 -8.375 1.849 88 HB3 GLU 14 3HB GLU 14 1.290 -7.757 3.480 89 HG2 GLU 14 2HG GLU 14 0.563 -9.945 4.415 90 HG3 GLU 14 3HG GLU 14 0.489 -10.594 2.769 91 H GLU 15 H GLU 15 -2.146 -7.021 0.896 92 HA GLU 15 HA GLU 15 -2.791 -9.641 -0.208 93 HB2 GLU 15 2HB GLU 15 -4.601 -7.840 1.220 94 HB3 GLU 15 3HB GLU 15 -5.156 -8.039 -0.424 95 HG2 GLU 15 2HG GLU 15 -4.491 -10.319 1.499 96 HG3 GLU 15 3HG GLU 15 -6.114 -9.714 1.157 97 H LYS 16 H LYS 16 -4.302 -8.930 -2.335 98 HA LYS 16 HA LYS 16 -2.504 -8.159 -4.226 99 HB2 LYS 16 2HB LYS 16 -4.547 -7.527 -5.648 100 HB3 LYS 16 3HB LYS 16 -4.442 -9.177 -5.019 101 HG2 LYS 16 2HG LYS 16 -6.133 -8.954 -3.559 102 HG3 LYS 16 3HG LYS 16 -5.844 -7.232 -3.275 103 HD2 LYS 16 2HD LYS 16 -6.849 -6.640 -5.395 104 HD3 LYS 16 3HD LYS 16 -7.058 -8.358 -5.835 105 HE2 LYS 16 2HE LYS 16 -8.674 -8.731 -4.148 106 HE3 LYS 16 3HE LYS 16 -8.186 -7.297 -3.234 107 HZ1 LYS 16 3HZ LYS 16 -9.117 -5.921 -4.947 108 HZ2 LYS 16 1HZ LYS 16 -9.563 -7.231 -5.842 109 HZ3 LYS 16 2HZ LYS 16 -10.266 -6.951 -4.379 110 H CYS 17 H CYS 17 -1.604 -6.251 -5.068 111 HA CYS 17 HA CYS 17 -1.811 -3.900 -3.536 112 HB2 CYS 17 2HB CYS 17 0.045 -4.763 -5.140 113 HB3 CYS 17 3HB CYS 17 -0.929 -3.963 -6.373 114 H THR 18 H THR 18 -3.087 -2.204 -3.822 115 HA THR 18 HA THR 18 -5.245 -2.413 -5.900 116 HB THR 18 HB THR 18 -5.638 -2.512 -3.285 117 HG1 THR 18 1HG THR 18 -7.324 -1.306 -5.221 118 HG21 THR 18 1HG2 THR 18 -6.134 0.382 -4.057 119 HG22 THR 18 2HG2 THR 18 -6.656 -0.409 -2.554 120 HG23 THR 18 3HG2 THR 18 -4.921 -0.197 -2.887 121 H ILE 19 H ILE 19 -2.605 -0.478 -4.694 122 HA ILE 19 HA ILE 19 -3.363 1.902 -6.143 123 HB ILE 19 HB ILE 19 -0.786 0.848 -4.883 124 HG12 ILE 19 2HG1 ILE 19 -1.511 3.064 -3.474 125 HG13 ILE 19 3HG1 ILE 19 -3.108 2.581 -3.967 126 HG21 ILE 19 1HG2 ILE 19 0.081 3.110 -5.108 127 HG22 ILE 19 2HG2 ILE 19 -0.183 2.324 -6.669 128 HG23 ILE 19 3HG2 ILE 19 -1.341 3.556 -6.093 129 HD11 ILE 19 3HD1 ILE 19 -1.552 0.301 -2.937 130 HD12 ILE 19 1HD1 ILE 19 -1.592 1.654 -1.795 131 HD13 ILE 19 2HD1 ILE 19 -3.111 0.963 -2.388 132 H CYS 20 H CYS 20 -1.496 -1.083 -6.723 133 HA CYS 20 HA CYS 20 -0.848 -0.246 -9.534 134 HB2 CYS 20 2HB CYS 20 -0.381 -2.852 -8.146 135 HB3 CYS 20 3HB CYS 20 0.164 -2.399 -9.751 136 H LEU 21 H LEU 21 -3.745 -0.933 -8.213 137 HA LEU 21 HA LEU 21 -5.506 -2.314 -8.622 138 HB2 LEU 21 2HB LEU 21 -4.854 -0.791 -11.021 139 HB3 LEU 21 3HB LEU 21 -5.986 -2.117 -11.236 140 HG LEU 21 HG LEU 21 -7.061 -1.113 -8.994 141 HD11 LEU 21 1HD1 LEU 21 -5.410 0.750 -8.938 142 HD12 LEU 21 2HD1 LEU 21 -6.008 1.313 -10.511 143 HD13 LEU 21 3HD1 LEU 21 -7.084 1.321 -9.093 144 HD21 LEU 21 3HD2 LEU 21 -7.588 -0.159 -11.832 145 HD22 LEU 21 1HD2 LEU 21 -8.233 -1.631 -11.069 146 HD23 LEU 21 2HD2 LEU 21 -8.717 -0.040 -10.460 147 H SER 22 H SER 22 -3.371 -4.052 -8.290 148 HA SER 22 HA SER 22 -4.290 -6.410 -9.636 149 HB2 SER 22 2HB SER 22 -1.910 -4.969 -10.798 150 HB3 SER 22 3HB SER 22 -1.819 -6.733 -10.663 151 HG SER 22 HG SER 22 -3.935 -5.311 -11.896 152 H ILE 23 H ILE 23 -3.111 -8.340 -8.953 153 HA ILE 23 HA ILE 23 -2.279 -8.493 -6.350 154 HB ILE 23 HB ILE 23 -1.217 -10.629 -7.033 155 HG12 ILE 23 2HG1 ILE 23 -2.190 -11.386 -9.354 156 HG13 ILE 23 3HG1 ILE 23 -2.005 -9.706 -9.824 157 HG21 ILE 23 1HG2 ILE 23 -3.394 -10.637 -6.183 158 HG22 ILE 23 2HG2 ILE 23 -4.104 -10.013 -7.701 159 HG23 ILE 23 3HG2 ILE 23 -3.426 -11.656 -7.605 160 HD11 ILE 23 3HD1 ILE 23 0.362 -9.789 -9.215 161 HD12 ILE 23 1HD1 ILE 23 0.160 -11.459 -8.627 162 HD13 ILE 23 2HD1 ILE 23 -0.027 -11.089 -10.360 163 H LEU 24 H LEU 24 -0.275 -8.693 -5.277 164 HA LEU 24 HA LEU 24 1.795 -6.944 -6.187 165 HB2 LEU 24 2HB LEU 24 1.329 -8.885 -3.899 166 HB3 LEU 24 3HB LEU 24 2.969 -8.408 -4.252 167 HG LEU 24 HG LEU 24 0.705 -6.507 -3.624 168 HD11 LEU 24 1HD1 LEU 24 3.130 -7.363 -1.973 169 HD12 LEU 24 2HD1 LEU 24 1.942 -6.131 -1.492 170 HD13 LEU 24 3HD1 LEU 24 1.443 -7.820 -1.654 171 HD21 LEU 24 3HD2 LEU 24 3.665 -6.027 -4.138 172 HD22 LEU 24 1HD2 LEU 24 2.275 -5.342 -5.017 173 HD23 LEU 24 2HD2 LEU 24 2.596 -4.837 -3.363 174 H GLU 25 H GLU 25 4.040 -7.699 -6.339 175 HA GLU 25 HA GLU 25 4.342 -10.271 -7.728 176 HB2 GLU 25 2HB GLU 25 5.500 -9.206 -9.611 177 HB3 GLU 25 3HB GLU 25 3.794 -8.727 -9.520 178 HG2 GLU 25 2HG GLU 25 4.425 -6.628 -8.401 179 HG3 GLU 25 3HG GLU 25 6.123 -7.108 -8.416 180 H GLU 26 H GLU 26 6.533 -11.041 -7.650 181 HA GLU 26 HA GLU 26 8.256 -9.890 -5.648 182 HB2 GLU 26 2HB GLU 26 8.376 -12.249 -7.547 183 HB3 GLU 26 3HB GLU 26 9.797 -11.753 -6.605 184 HG2 GLU 26 2HG GLU 26 8.650 -12.062 -4.516 185 HG3 GLU 26 3HG GLU 26 7.095 -12.305 -5.318 186 H GLY 27 H GLY 27 8.306 -7.769 -6.661 187 HA2 GLY 27 2HA GLY 27 10.029 -7.556 -9.099 188 HA3 GLY 27 3HA GLY 27 8.982 -6.286 -8.445 189 H GLU 28 H GLU 28 9.586 -5.683 -5.991 190 HA GLU 28 HA GLU 28 12.420 -5.946 -5.406 191 HB2 GLU 28 2HB GLU 28 11.567 -3.722 -6.731 192 HB3 GLU 28 3HB GLU 28 11.148 -3.249 -5.096 193 HG2 GLU 28 2HG GLU 28 13.606 -4.101 -4.538 194 HG3 GLU 28 3HG GLU 28 13.845 -4.013 -6.277 195 H ASP 29 H ASP 29 12.233 -4.122 -3.246 196 HA ASP 29 HA ASP 29 10.940 -5.844 -1.296 197 HB2 ASP 29 2HB ASP 29 12.576 -3.320 -1.193 198 HB3 ASP 29 3HB ASP 29 11.473 -3.617 0.151 199 H VAL 30 H VAL 30 9.089 -5.532 -0.172 200 HA VAL 30 HA VAL 30 7.210 -3.537 -1.255 201 HB VAL 30 HB VAL 30 5.573 -4.746 0.135 202 HG11 VAL 30 1HG1 VAL 30 6.981 -5.994 -2.207 203 HG12 VAL 30 2HG1 VAL 30 5.544 -6.752 -1.469 204 HG13 VAL 30 3HG1 VAL 30 5.430 -5.117 -2.113 205 HG21 VAL 30 3HG2 VAL 30 6.030 -6.939 0.941 206 HG22 VAL 30 1HG2 VAL 30 7.673 -6.915 0.262 207 HG23 VAL 30 2HG2 VAL 30 7.244 -5.832 1.622 208 H ARG 31 H ARG 31 5.707 -2.669 0.698 209 HA ARG 31 HA ARG 31 7.016 -2.445 3.216 210 HB2 ARG 31 2HB ARG 31 7.883 -0.494 1.434 211 HB3 ARG 31 3HB ARG 31 6.580 0.319 2.284 212 HG2 ARG 31 2HG ARG 31 8.635 0.793 3.406 213 HG3 ARG 31 3HG ARG 31 7.723 -0.308 4.455 214 HD2 ARG 31 2HD ARG 31 9.072 -2.203 3.700 215 HD3 ARG 31 3HD ARG 31 9.864 -1.230 2.474 216 HE ARG 31 HE ARG 31 10.383 -1.351 5.352 217 HH11 ARG 31 2HH2 ARG 31 11.105 0.331 2.358 218 HH12 ARG 31 1HH2 ARG 31 12.324 1.355 2.989 219 HH21 ARG 31 2HH1 ARG 31 12.122 -0.079 6.251 220 HH22 ARG 31 1HH1 ARG 31 12.958 1.058 5.252 221 H ARG 32 H ARG 32 5.582 -1.686 4.896 222 HA ARG 32 HA ARG 32 2.815 -1.458 3.942 223 HB2 ARG 32 2HB ARG 32 2.199 -2.323 6.132 224 HB3 ARG 32 3HB ARG 32 3.331 -3.388 5.320 225 HG2 ARG 32 2HG ARG 32 4.908 -1.630 6.952 226 HG3 ARG 32 3HG ARG 32 3.508 -2.137 7.914 227 HD2 ARG 32 2HD ARG 32 4.034 -4.518 7.001 228 HD3 ARG 32 3HD ARG 32 5.587 -3.872 6.533 229 HE ARG 32 HE ARG 32 6.203 -3.712 8.789 230 HH11 ARG 32 2HH2 ARG 32 2.931 -5.065 8.519 231 HH12 ARG 32 1HH2 ARG 32 2.624 -5.016 10.236 232 HH21 ARG 32 2HH1 ARG 32 5.832 -3.951 11.110 233 HH22 ARG 32 1HH1 ARG 32 4.208 -4.442 11.603 234 H LEU 33 H LEU 33 1.346 -0.072 4.959 235 HA LEU 33 HA LEU 33 2.674 2.496 5.571 236 HB2 LEU 33 2HB LEU 33 -0.248 2.437 5.974 237 HB3 LEU 33 3HB LEU 33 0.809 3.601 5.202 238 HG LEU 33 HG LEU 33 0.970 1.735 3.366 239 HD11 LEU 33 1HD1 LEU 33 -0.947 0.596 5.065 240 HD12 LEU 33 2HD1 LEU 33 -1.920 1.311 3.773 241 HD13 LEU 33 3HD1 LEU 33 -0.646 0.123 3.397 242 HD21 LEU 33 3HD2 LEU 33 -0.813 2.905 2.137 243 HD22 LEU 33 1HD2 LEU 33 -1.321 3.686 3.659 244 HD23 LEU 33 2HD2 LEU 33 0.293 4.007 2.981 245 HA PRO 34 HA PRO 34 2.646 1.576 9.853 246 HB2 PRO 34 2HB PRO 34 2.250 4.118 11.003 247 HB3 PRO 34 3HB PRO 34 3.788 3.389 10.470 248 HG2 PRO 34 2HG PRO 34 2.108 5.426 9.095 249 HG3 PRO 34 3HG PRO 34 3.870 5.197 9.021 250 HD2 PRO 34 2HD PRO 34 2.097 4.400 7.026 251 HD3 PRO 34 3HD PRO 34 3.708 3.670 7.288 252 H CYS 35 H CYS 35 -0.245 2.611 8.330 253 HA CYS 35 HA CYS 35 -2.016 2.696 10.620 254 HB2 CYS 35 2HB CYS 35 -3.768 2.517 9.140 255 HB3 CYS 35 3HB CYS 35 -2.587 3.517 8.311 256 H MET 36 H MET 36 -0.836 0.013 8.529 257 HA MET 36 HA MET 36 -0.888 -2.126 10.091 258 HB2 MET 36 2HB MET 36 -2.995 -2.002 11.074 259 HB3 MET 36 3HB MET 36 -3.772 -1.349 9.614 260 HG2 MET 36 2HG MET 36 -3.795 -3.495 8.563 261 HG3 MET 36 3HG MET 36 -2.734 -4.185 9.794 262 HE1 MET 36 3HE MET 36 -5.316 -5.693 8.897 263 HE2 MET 36 1HE MET 36 -4.197 -6.234 10.172 264 HE3 MET 36 2HE MET 36 -5.948 -6.193 10.483 265 H HIS 37 H HIS 37 -2.685 -1.119 7.165 266 HA HIS 37 HA HIS 37 -2.462 -3.645 5.874 267 HB2 HIS 37 1HB HIS 37 -2.967 -0.891 4.691 268 HB3 HIS 37 2HB HIS 37 -3.326 -2.411 3.919 269 HD2 HIS 37 2HD HIS 37 -5.282 -3.905 4.767 270 HE1 HIS 37 1HE HIS 37 -7.298 -1.066 7.188 271 HE2 HIS 37 2HE HIS 37 -7.430 -3.411 6.184 272 H LEU 38 H LEU 38 -1.194 -4.206 3.928 273 HA LEU 38 HA LEU 38 1.393 -2.736 3.805 274 HB2 LEU 38 2HB LEU 38 1.691 -4.797 4.871 275 HB3 LEU 38 3HB LEU 38 0.810 -5.655 3.616 276 HG LEU 38 HG LEU 38 3.320 -4.155 2.941 277 HD11 LEU 38 1HD1 LEU 38 3.915 -5.562 4.890 278 HD12 LEU 38 2HD1 LEU 38 3.304 -6.981 4.054 279 HD13 LEU 38 3HD1 LEU 38 4.706 -6.109 3.401 280 HD21 LEU 38 3HD2 LEU 38 3.032 -5.167 0.921 281 HD22 LEU 38 1HD2 LEU 38 3.100 -6.753 1.682 282 HD23 LEU 38 2HD2 LEU 38 1.547 -5.937 1.504 283 H PHE 39 H PHE 39 2.491 -2.669 1.764 284 HA PHE 39 HA PHE 39 1.039 -3.442 -0.651 285 HB2 PHE 39 2HB PHE 39 1.397 -0.541 0.196 286 HB3 PHE 39 3HB PHE 39 1.304 -0.955 -1.508 287 HD1 PHE 39 1HD PHE 39 -0.599 -2.736 -2.100 288 HD2 PHE 39 2HD PHE 39 -0.673 -0.019 1.221 289 HE1 PHE 39 1HE PHE 39 -3.096 -2.942 -1.984 290 HE2 PHE 39 2HE PHE 39 -3.131 -0.241 1.352 291 HZ PHE 39 HZ PHE 39 -4.350 -1.593 -0.413 292 H HIS 40 H HIS 40 2.487 -2.170 -2.590 293 HA HIS 40 HA HIS 40 5.247 -3.139 -2.313 294 HB2 HIS 40 1HB HIS 40 3.794 -1.365 -4.237 295 HB3 HIS 40 2HB HIS 40 5.537 -1.432 -4.290 296 HD2 HIS 40 2HD HIS 40 6.471 -4.154 -4.721 297 HE1 HIS 40 1HE HIS 40 3.471 -4.466 -7.729 298 HE2 HIS 40 2HE HIS 40 5.685 -5.419 -6.879 299 H GLN 41 H GLN 41 7.090 -1.863 -1.874 300 HA GLN 41 HA GLN 41 6.799 0.455 -0.304 301 HB2 GLN 41 2HB GLN 41 8.881 -1.008 -0.425 302 HB3 GLN 41 3HB GLN 41 9.161 -0.421 -2.058 303 HG2 GLN 41 2HG GLN 41 9.356 1.915 -1.211 304 HG3 GLN 41 3HG GLN 41 9.049 1.338 0.433 305 HE21 GLN 41 1HE2 GLN 41 11.525 1.988 -1.885 306 HE22 GLN 41 2HE2 GLN 41 12.763 1.030 -1.102 307 H VAL 42 H VAL 42 7.789 0.067 -3.691 308 HA VAL 42 HA VAL 42 7.954 2.847 -4.187 309 HB VAL 42 HB VAL 42 8.567 0.582 -5.546 310 HG11 VAL 42 1HG1 VAL 42 7.520 0.536 -7.719 311 HG12 VAL 42 2HG1 VAL 42 6.293 0.272 -6.470 312 HG13 VAL 42 3HG1 VAL 42 6.425 1.856 -7.278 313 HG21 VAL 42 3HG2 VAL 42 9.433 2.073 -7.312 314 HG22 VAL 42 1HG2 VAL 42 8.399 3.391 -6.708 315 HG23 VAL 42 2HG2 VAL 42 9.716 2.749 -5.700 316 H CYS 43 H CYS 43 5.185 0.858 -3.859 317 HA CYS 43 HA CYS 43 3.306 2.730 -5.329 318 HB2 CYS 43 2HB CYS 43 2.901 0.343 -3.545 319 HB3 CYS 43 3HB CYS 43 1.643 1.371 -4.158 320 H VAL 44 H VAL 44 4.376 1.927 -1.898 321 HA VAL 44 HA VAL 44 2.283 3.406 -0.729 322 HB VAL 44 HB VAL 44 4.288 1.726 0.108 323 HG11 VAL 44 1HG1 VAL 44 5.044 4.409 1.301 324 HG12 VAL 44 2HG1 VAL 44 5.706 2.813 1.711 325 HG13 VAL 44 3HG1 VAL 44 5.993 3.493 0.104 326 HG21 VAL 44 3HG2 VAL 44 2.123 2.055 1.148 327 HG22 VAL 44 1HG2 VAL 44 3.416 2.109 2.362 328 HG23 VAL 44 2HG2 VAL 44 2.652 3.624 1.810 329 H ASP 45 H ASP 45 5.224 4.214 -2.255 330 HA ASP 45 HA ASP 45 5.487 6.959 -1.242 331 HB2 ASP 45 2HB ASP 45 7.468 5.768 -2.035 332 HB3 ASP 45 3HB ASP 45 6.742 5.517 -3.623 333 H GLN 46 H GLN 46 4.880 5.921 -4.676 334 HA GLN 46 HA GLN 46 3.804 8.411 -5.423 335 HB2 GLN 46 2HB GLN 46 3.271 5.621 -6.528 336 HB3 GLN 46 3HB GLN 46 2.575 7.087 -7.223 337 HG2 GLN 46 2HG GLN 46 5.234 7.811 -7.047 338 HG3 GLN 46 3HG GLN 46 5.364 6.082 -7.386 339 HE21 GLN 46 1HE2 GLN 46 3.921 5.295 -9.340 340 HE22 GLN 46 2HE2 GLN 46 3.770 6.462 -10.651 341 H TRP 47 H TRP 47 2.246 5.856 -3.628 342 HA TRP 47 HA TRP 47 -0.444 6.795 -4.002 343 HB2 TRP 47 2HB TRP 47 0.151 4.500 -3.235 344 HB3 TRP 47 3HB TRP 47 0.756 5.166 -1.714 345 HD1 TRP 47 HD1 TRP 47 -1.008 4.944 0.134 346 HE1 TRP 47 HE1 TRP 47 -3.587 4.954 0.258 347 HE3 TRP 47 HE3 TRP 47 -2.107 5.771 -4.803 348 HZ2 TRP 47 HZ2 TRP 47 -5.757 4.984 -1.546 349 HZ3 TRP 47 HZ3 TRP 47 -4.443 5.987 -5.534 350 HH2 TRP 47 HH2 TRP 47 -6.311 5.529 -3.947 351 H LEU 48 H LEU 48 1.895 7.151 -1.266 352 HA LEU 48 HA LEU 48 0.389 8.965 0.201 353 HB2 LEU 48 2HB LEU 48 3.220 8.117 -0.005 354 HB3 LEU 48 3HB LEU 48 3.093 9.759 0.499 355 HG LEU 48 HG LEU 48 1.534 7.467 1.758 356 HD11 LEU 48 1HD1 LEU 48 4.116 8.791 2.691 357 HD12 LEU 48 2HD1 LEU 48 3.170 7.604 3.623 358 HD13 LEU 48 3HD1 LEU 48 3.936 7.128 2.093 359 HD21 LEU 48 3HD2 LEU 48 2.137 10.185 2.993 360 HD22 LEU 48 1HD2 LEU 48 0.660 9.891 2.070 361 HD23 LEU 48 2HD2 LEU 48 0.971 8.958 3.540 362 H ILE 49 H ILE 49 2.370 9.574 -2.716 363 HA ILE 49 HA ILE 49 2.186 12.401 -2.636 364 HB ILE 49 HB ILE 49 2.512 10.489 -4.945 365 HG12 ILE 49 2HG1 ILE 49 4.277 10.331 -3.188 366 HG13 ILE 49 3HG1 ILE 49 4.808 10.771 -4.795 367 HG21 ILE 49 1HG2 ILE 49 3.513 12.446 -6.114 368 HG22 ILE 49 2HG2 ILE 49 1.763 12.541 -5.870 369 HG23 ILE 49 3HG2 ILE 49 2.840 13.481 -4.822 370 HD11 ILE 49 3HD1 ILE 49 5.909 12.079 -3.024 371 HD12 ILE 49 1HD1 ILE 49 4.997 13.099 -4.156 372 HD13 ILE 49 2HD1 ILE 49 4.326 12.733 -2.544 373 H THR 50 H THR 50 -0.108 9.878 -3.983 374 HA THR 50 HA THR 50 -1.862 12.053 -4.908 375 HB THR 50 HB THR 50 -3.255 10.152 -5.728 376 HG1 THR 50 1HG THR 50 -2.309 8.094 -5.688 377 HG21 THR 50 1HG2 THR 50 -1.476 11.201 -7.148 378 HG22 THR 50 2HG2 THR 50 -0.332 9.963 -6.582 379 HG23 THR 50 3HG2 THR 50 -1.752 9.491 -7.534 380 H ASN 51 H ASN 51 -2.520 9.088 -3.015 381 HA ASN 51 HA ASN 51 -4.654 10.555 -1.554 382 HB2 ASN 51 2HB ASN 51 -4.111 7.737 -2.350 383 HB3 ASN 51 3HB ASN 51 -4.959 7.960 -0.822 384 HD21 ASN 51 1HD2 ASN 51 -7.172 8.243 -0.915 385 HD22 ASN 51 2HD2 ASN 51 -8.000 8.716 -2.405 386 H LYS 52 H LYS 52 -3.794 11.541 0.200 387 HA LYS 52 HA LYS 52 -1.738 10.354 1.824 388 HB2 LYS 52 2HB LYS 52 -2.518 12.853 1.373 389 HB3 LYS 52 3HB LYS 52 -3.550 12.580 2.781 390 HG2 LYS 52 2HG LYS 52 -1.564 12.097 4.156 391 HG3 LYS 52 3HG LYS 52 -0.523 12.147 2.714 392 HD2 LYS 52 2HD LYS 52 -1.053 14.499 2.340 393 HD3 LYS 52 3HD LYS 52 -2.215 14.490 3.677 394 HE2 LYS 52 2HE LYS 52 0.325 13.480 4.631 395 HE3 LYS 52 3HE LYS 52 0.631 14.970 3.730 396 HZ1 LYS 52 3HZ LYS 52 -1.003 16.075 5.112 397 HZ2 LYS 52 1HZ LYS 52 -1.294 14.687 5.952 398 HZ3 LYS 52 2HZ LYS 52 0.181 15.417 6.045 399 H LYS 53 H LYS 53 -4.289 8.659 1.579 400 HA LYS 53 HA LYS 53 -4.831 8.253 4.435 401 HB2 LYS 53 2HB LYS 53 -7.063 8.474 2.338 402 HB3 LYS 53 3HB LYS 53 -7.211 7.929 3.989 403 HG2 LYS 53 2HG LYS 53 -7.724 10.055 4.510 404 HG3 LYS 53 3HG LYS 53 -5.981 10.308 4.445 405 HD2 LYS 53 2HD LYS 53 -6.848 12.052 3.171 406 HD3 LYS 53 3HD LYS 53 -6.329 10.876 1.939 407 HE2 LYS 53 2HE LYS 53 -8.662 9.999 1.835 408 HE3 LYS 53 3HE LYS 53 -9.137 11.131 3.111 409 HZ1 LYS 53 3HZ LYS 53 -9.737 12.037 1.006 410 HZ2 LYS 53 1HZ LYS 53 -8.517 12.944 1.625 411 HZ3 LYS 53 2HZ LYS 53 -8.208 11.878 0.410 412 H CYS 54 H CYS 54 -5.971 6.162 4.663 413 HA CYS 54 HA CYS 54 -4.287 4.117 3.374 414 HB2 CYS 54 2HB CYS 54 -5.120 4.118 5.722 415 HB3 CYS 54 3HB CYS 54 -6.759 3.892 5.076 416 HA PRO 55 HA PRO 55 -7.183 3.742 -0.033 417 HB2 PRO 55 2HB PRO 55 -6.159 1.242 -0.934 418 HB3 PRO 55 3HB PRO 55 -5.796 2.817 -1.601 419 HG2 PRO 55 2HG PRO 55 -4.158 1.058 -0.067 420 HG3 PRO 55 3HG PRO 55 -3.688 2.632 -0.704 421 HD2 PRO 55 2HD PRO 55 -4.386 1.865 2.034 422 HD3 PRO 55 3HD PRO 55 -3.697 3.401 1.471 423 H ILE 56 H ILE 56 -6.637 1.136 2.391 424 HA ILE 56 HA ILE 56 -9.189 -0.134 1.648 425 HB ILE 56 HB ILE 56 -7.252 -0.830 3.888 426 HG12 ILE 56 2HG1 ILE 56 -7.016 -2.932 2.345 427 HG13 ILE 56 3HG1 ILE 56 -7.523 -1.850 1.045 428 HG21 ILE 56 1HG2 ILE 56 -9.539 -1.529 4.382 429 HG22 ILE 56 2HG2 ILE 56 -9.705 -2.221 2.755 430 HG23 ILE 56 3HG2 ILE 56 -8.587 -2.944 3.931 431 HD11 ILE 56 3HD1 ILE 56 -4.993 -2.185 1.589 432 HD12 ILE 56 1HD1 ILE 56 -5.564 -0.519 1.295 433 HD13 ILE 56 2HD1 ILE 56 -5.263 -1.097 2.946 434 H CYS 57 H CYS 57 -7.726 1.002 4.762 435 HA CYS 57 HA CYS 57 -10.344 1.110 5.994 436 HB2 CYS 57 2HB CYS 57 -9.075 2.068 7.886 437 HB3 CYS 57 3HB CYS 57 -8.610 0.484 7.386 438 H ARG 58 H ARG 58 -8.703 3.398 3.959 439 HA ARG 58 HA ARG 58 -9.400 5.390 3.168 440 HB2 ARG 58 2HB ARG 58 -11.604 3.814 3.387 441 HB3 ARG 58 3HB ARG 58 -12.120 5.140 4.419 442 HG2 ARG 58 2HG ARG 58 -11.225 5.292 1.511 443 HG3 ARG 58 3HG ARG 58 -12.885 5.385 2.106 444 HD2 ARG 58 2HD ARG 58 -12.210 7.442 3.424 445 HD3 ARG 58 3HD ARG 58 -10.685 7.450 2.527 446 HE ARG 58 HE ARG 58 -13.257 8.374 1.715 447 HH11 ARG 58 2HH2 ARG 58 -10.455 6.744 0.326 448 HH12 ARG 58 1HH2 ARG 58 -10.778 7.217 -1.306 449 HH21 ARG 58 2HH1 ARG 58 -13.693 9.067 -0.445 450 HH22 ARG 58 1HH1 ARG 58 -12.647 8.623 -1.740 451 H VAL 59 H VAL 59 -8.145 5.304 5.878 452 HA VAL 59 HA VAL 59 -9.146 7.960 6.765 453 HB VAL 59 HB VAL 59 -8.820 7.465 8.956 454 HG11 VAL 59 1HG1 VAL 59 -10.210 5.561 9.438 455 HG12 VAL 59 2HG1 VAL 59 -10.739 6.217 7.865 456 HG13 VAL 59 3HG1 VAL 59 -9.693 4.771 7.933 457 HG21 VAL 59 3HG2 VAL 59 -7.200 5.023 8.191 458 HG22 VAL 59 1HG2 VAL 59 -6.673 6.502 9.046 459 HG23 VAL 59 2HG2 VAL 59 -7.763 5.363 9.847 460 H ASP 60 H ASP 60 -7.549 9.407 7.547 461 HA ASP 60 HA ASP 60 -5.103 9.254 6.136 462 HB2 ASP 60 2HB ASP 60 -5.724 11.063 8.527 463 HB3 ASP 60 3HB ASP 60 -4.616 11.335 7.207 464 H ILE 61 H ILE 61 -3.321 8.199 6.753 465 HA ILE 61 HA ILE 61 -3.147 6.471 8.779 466 HB ILE 61 HB ILE 61 -0.830 7.974 7.544 467 HG12 ILE 61 2HG1 ILE 61 -1.191 5.525 6.234 468 HG13 ILE 61 3HG1 ILE 61 -2.841 6.051 6.471 469 HG21 ILE 61 1HG2 ILE 61 -0.081 6.646 9.388 470 HG22 ILE 61 2HG2 ILE 61 -1.097 5.277 8.894 471 HG23 ILE 61 3HG2 ILE 61 0.298 5.765 7.892 472 HD11 ILE 61 3HD1 ILE 61 -0.571 7.451 5.018 473 HD12 ILE 61 1HD1 ILE 61 -2.158 6.960 4.378 474 HD13 ILE 61 2HD1 ILE 61 -2.023 8.337 5.498 475 H GLU 62 H GLU 62 -2.592 9.851 8.999 476 HA GLU 62 HA GLU 62 -2.069 11.328 10.603 477 HB2 GLU 62 2HB GLU 62 -4.066 9.613 11.713 478 HB3 GLU 62 3HB GLU 62 -2.959 10.068 13.013 479 HG2 GLU 62 2HG GLU 62 -3.122 12.481 12.088 480 HG3 GLU 62 3HG GLU 62 -4.511 11.905 11.162 481 H ALA 63 H ALA 63 0.069 11.308 10.323 482 HA ALA 63 HA ALA 63 1.666 9.896 12.429 483 HB1 ALA 63 1HB ALA 63 2.452 10.683 9.596 484 HB2 ALA 63 2HB ALA 63 3.575 10.063 10.829 485 HB3 ALA 63 3HB ALA 63 2.256 9.033 10.232 486 H GLN 64 H GLN 64 3.157 11.156 13.557 487 HA GLN 64 HA GLN 64 2.351 13.902 13.838 488 HB2 GLN 64 2HB GLN 64 3.107 12.208 15.659 489 HB3 GLN 64 3HB GLN 64 4.755 12.581 15.162 490 HG2 GLN 64 2HG GLN 64 3.915 15.106 15.445 491 HG3 GLN 64 3HG GLN 64 2.662 14.353 16.438 492 HE21 GLN 64 1HE2 GLN 64 5.672 15.813 16.603 493 HE22 GLN 64 2HE2 GLN 64 6.223 15.049 18.088 494 H LEU 65 H LEU 65 2.882 14.669 11.683 495 HA LEU 65 HA LEU 65 4.106 15.677 10.060 496 HB2 LEU 65 2HB LEU 65 5.909 16.215 12.408 497 HB3 LEU 65 3HB LEU 65 6.426 16.623 10.782 498 HG LEU 65 HG LEU 65 3.654 17.505 11.409 499 HD11 LEU 65 1HD1 LEU 65 4.452 19.476 12.706 500 HD12 LEU 65 2HD1 LEU 65 4.634 17.947 13.587 501 HD13 LEU 65 3HD1 LEU 65 6.054 18.716 12.838 502 HD21 LEU 65 3HD2 LEU 65 6.108 18.940 10.284 503 HD22 LEU 65 1HD2 LEU 65 4.905 18.078 9.308 504 HD23 LEU 65 2HD2 LEU 65 4.435 19.515 10.222 505 HA PRO 66 HA PRO 66 6.536 11.890 9.121 506 HB2 PRO 66 2HB PRO 66 5.293 11.176 6.819 507 HB3 PRO 66 3HB PRO 66 4.487 10.948 8.394 508 HG2 PRO 66 2HG PRO 66 4.142 13.275 6.468 509 HG3 PRO 66 3HG PRO 66 2.861 12.265 7.213 510 HD2 PRO 66 2HD PRO 66 3.659 14.673 8.253 511 HD3 PRO 66 3HD PRO 66 3.112 13.326 9.299 512 H SER 67 H SER 67 7.894 14.026 9.067 513 HA SER 67 HA SER 67 9.579 15.106 8.119 514 HB2 SER 67 2HB SER 67 9.870 12.805 7.033 515 HB3 SER 67 3HB SER 67 9.184 13.525 5.566 516 HG SER 67 HG SER 67 11.552 14.278 6.950 517 H GLU 68 H GLU 68 10.056 16.868 6.581 518 HA GLU 68 HA GLU 68 7.911 17.728 4.832 519 HB2 GLU 68 2HB GLU 68 7.193 18.403 7.228 520 HB3 GLU 68 3HB GLU 68 8.508 19.580 7.181 521 HG2 GLU 68 2HG GLU 68 7.524 20.560 5.106 522 HG3 GLU 68 3HG GLU 68 6.243 19.343 5.144 523 H SER 69 H SER 69 10.580 19.217 6.763 524 HA SER 69 HA SER 69 12.488 19.061 4.669 525 HB2 SER 69 2HB SER 69 11.338 21.776 5.442 526 HB3 SER 69 3HB SER 69 12.984 21.585 4.810 527 HG SER 69 HG SER 69 10.844 20.408 3.428 Start of MODEL 4 1 H1 MET 1 H1 MET 1 7.968 -31.355 -5.306 2 H2 MET 1 H2 MET 1 8.921 -32.451 -6.095 3 H3 MET 1 H3 MET 1 8.748 -32.527 -4.455 4 HA MET 1 HA MET 1 10.871 -31.641 -5.014 5 HB2 MET 1 2HB MET 1 9.256 -29.437 -6.356 6 HB3 MET 1 3HB MET 1 10.990 -29.362 -5.981 7 HG2 MET 1 2HG MET 1 11.322 -31.414 -7.394 8 HG3 MET 1 3HG MET 1 9.612 -31.320 -7.851 9 HE1 MET 1 3HE MET 1 11.256 -31.533 -10.211 10 HE2 MET 1 1HE MET 1 9.603 -30.895 -10.392 11 HE3 MET 1 2HE MET 1 10.961 -30.086 -11.204 12 H LYS 2 H LYS 2 9.041 -28.587 -4.490 13 HA LYS 2 HA LYS 2 9.051 -29.073 -1.605 14 HB2 LYS 2 2HB LYS 2 11.153 -27.638 -2.761 15 HB3 LYS 2 3HB LYS 2 9.966 -26.364 -2.470 16 HG2 LYS 2 2HG LYS 2 11.250 -26.463 -0.471 17 HG3 LYS 2 3HG LYS 2 9.758 -27.345 -0.090 18 HD2 LYS 2 2HD LYS 2 11.078 -29.470 -0.850 19 HD3 LYS 2 3HD LYS 2 12.521 -28.473 -0.671 20 HE2 LYS 2 2HE LYS 2 10.395 -28.810 1.494 21 HE3 LYS 2 3HE LYS 2 11.784 -29.898 1.345 22 HZ1 LYS 2 3HZ LYS 2 13.229 -28.007 1.667 23 HZ2 LYS 2 1HZ LYS 2 11.937 -26.982 1.782 24 HZ3 LYS 2 2HZ LYS 2 12.182 -28.137 2.928 25 H GLN 3 H GLN 3 7.579 -27.393 -0.543 26 HA GLN 3 HA GLN 3 5.968 -25.729 -2.152 27 HB2 GLN 3 2HB GLN 3 3.804 -26.860 -1.900 28 HB3 GLN 3 3HB GLN 3 4.890 -27.747 -2.932 29 HG2 GLN 3 2HG GLN 3 4.449 -29.579 -1.771 30 HG3 GLN 3 3HG GLN 3 5.378 -28.929 -0.431 31 HE21 GLN 3 1HE2 GLN 3 3.216 -30.781 -0.084 32 HE22 GLN 3 2HE2 GLN 3 1.925 -29.895 0.719 33 H ASP 4 H ASP 4 5.971 -24.095 -0.713 34 HA ASP 4 HA ASP 4 4.849 -24.146 1.866 35 HB2 ASP 4 2HB ASP 4 6.966 -23.745 3.149 36 HB3 ASP 4 3HB ASP 4 6.779 -25.402 2.621 37 H GLY 5 H GLY 5 5.365 -21.929 2.912 38 HA2 GLY 5 2HA GLY 5 6.582 -19.773 2.385 39 HA3 GLY 5 3HA GLY 5 5.872 -19.901 0.772 40 H GLU 6 H GLU 6 5.055 -19.429 4.276 41 HA GLU 6 HA GLU 6 2.961 -17.653 3.466 42 HB2 GLU 6 2HB GLU 6 1.824 -19.900 3.479 43 HB3 GLU 6 3HB GLU 6 2.288 -20.099 5.175 44 HG2 GLU 6 2HG GLU 6 0.983 -18.067 5.765 45 HG3 GLU 6 3HG GLU 6 0.558 -17.841 4.063 46 H GLU 7 H GLU 7 3.075 -15.929 4.961 47 HA GLU 7 HA GLU 7 3.483 -16.397 7.732 48 HB2 GLU 7 2HB GLU 7 5.919 -16.278 6.456 49 HB3 GLU 7 3HB GLU 7 5.612 -14.558 6.709 50 HG2 GLU 7 2HG GLU 7 5.081 -15.188 9.168 51 HG3 GLU 7 3HG GLU 7 5.712 -16.787 8.790 52 H GLY 8 H GLY 8 3.541 -14.108 8.811 53 HA2 GLY 8 2HA GLY 8 3.100 -11.737 8.592 54 HA3 GLY 8 3HA GLY 8 2.147 -12.059 7.134 55 H THR 9 H THR 9 1.605 -10.953 10.089 56 HA THR 9 HA THR 9 -1.091 -11.748 10.074 57 HB THR 9 HB THR 9 -0.539 -13.839 10.925 58 HG1 THR 9 1HG THR 9 -1.580 -13.734 12.945 59 HG21 THR 9 1HG2 THR 9 1.716 -13.192 11.856 60 HG22 THR 9 2HG2 THR 9 0.845 -12.595 13.293 61 HG23 THR 9 3HG2 THR 9 0.749 -14.302 12.841 62 H GLU 10 H GLU 10 1.252 -10.827 12.546 63 HA GLU 10 HA GLU 10 -0.320 -8.708 13.654 64 HB2 GLU 10 2HB GLU 10 2.636 -9.373 13.718 65 HB3 GLU 10 3HB GLU 10 2.011 -7.899 14.469 66 HG2 GLU 10 2HG GLU 10 1.190 -8.995 16.245 67 HG3 GLU 10 3HG GLU 10 0.345 -10.167 15.241 68 H GLU 11 H GLU 11 -0.986 -7.032 12.690 69 HA GLU 11 HA GLU 11 -1.438 -5.613 11.017 70 HB2 GLU 11 2HB GLU 11 0.962 -4.529 12.496 71 HB3 GLU 11 3HB GLU 11 0.075 -3.604 11.270 72 HG2 GLU 11 2HG GLU 11 -0.951 -2.993 13.293 73 HG3 GLU 11 3HG GLU 11 -2.057 -4.102 12.479 74 H ASP 12 H ASP 12 -1.263 -6.636 9.121 75 HA ASP 12 HA ASP 12 0.701 -5.579 7.240 76 HB2 ASP 12 2HB ASP 12 2.157 -7.279 8.059 77 HB3 ASP 12 3HB ASP 12 0.834 -8.432 8.295 78 H THR 13 H THR 13 -1.236 -8.494 7.592 79 HA THR 13 HA THR 13 -2.494 -9.629 6.054 80 HB THR 13 HB THR 13 -4.101 -8.458 7.425 81 HG1 THR 13 1HG THR 13 -4.833 -8.550 4.699 82 HG21 THR 13 1HG2 THR 13 -3.915 -6.273 5.326 83 HG22 THR 13 2HG2 THR 13 -5.210 -6.395 6.553 84 HG23 THR 13 3HG2 THR 13 -3.518 -6.168 7.043 85 H GLU 14 H GLU 14 -0.347 -8.867 4.588 86 HA GLU 14 HA GLU 14 -0.844 -7.042 2.561 87 HB2 GLU 14 2HB GLU 14 0.884 -8.133 1.223 88 HB3 GLU 14 3HB GLU 14 1.386 -7.862 2.893 89 HG2 GLU 14 2HG GLU 14 1.311 -10.169 3.431 90 HG3 GLU 14 3HG GLU 14 0.444 -10.578 1.947 91 H GLU 15 H GLU 15 -2.216 -6.943 0.888 92 HA GLU 15 HA GLU 15 -3.119 -9.458 -0.288 93 HB2 GLU 15 2HB GLU 15 -4.725 -7.729 1.308 94 HB3 GLU 15 3HB GLU 15 -5.213 -7.429 -0.358 95 HG2 GLU 15 2HG GLU 15 -5.259 -10.031 -0.599 96 HG3 GLU 15 3HG GLU 15 -5.206 -10.058 1.170 97 H LYS 16 H LYS 16 -4.661 -8.585 -2.282 98 HA LYS 16 HA LYS 16 -2.907 -7.975 -4.319 99 HB2 LYS 16 2HB LYS 16 -5.004 -9.010 -4.757 100 HB3 LYS 16 3HB LYS 16 -5.908 -7.779 -3.896 101 HG2 LYS 16 2HG LYS 16 -4.483 -6.689 -6.235 102 HG3 LYS 16 3HG LYS 16 -5.626 -7.973 -6.645 103 HD2 LYS 16 2HD LYS 16 -7.389 -6.781 -5.337 104 HD3 LYS 16 3HD LYS 16 -6.245 -5.441 -5.067 105 HE2 LYS 16 2HE LYS 16 -6.036 -5.102 -7.491 106 HE3 LYS 16 3HE LYS 16 -7.064 -6.513 -7.804 107 HZ1 LYS 16 3HZ LYS 16 -7.920 -4.038 -6.453 108 HZ2 LYS 16 1HZ LYS 16 -8.324 -4.502 -7.985 109 HZ3 LYS 16 2HZ LYS 16 -8.868 -5.363 -6.691 110 H CYS 17 H CYS 17 -1.952 -6.061 -5.104 111 HA CYS 17 HA CYS 17 -1.989 -3.761 -3.500 112 HB2 CYS 17 2HB CYS 17 -0.248 -4.644 -5.227 113 HB3 CYS 17 3HB CYS 17 -1.260 -3.753 -6.370 114 H THR 18 H THR 18 -3.247 -2.052 -3.572 115 HA THR 18 HA THR 18 -5.609 -2.068 -5.365 116 HB THR 18 HB THR 18 -6.332 -0.172 -3.895 117 HG1 THR 18 1HG THR 18 -4.523 0.605 -3.005 118 HG21 THR 18 1HG2 THR 18 -7.054 -2.509 -3.442 119 HG22 THR 18 2HG2 THR 18 -5.606 -2.769 -2.450 120 HG23 THR 18 3HG2 THR 18 -6.840 -1.603 -1.932 121 H ILE 19 H ILE 19 -2.653 -0.266 -4.638 122 HA ILE 19 HA ILE 19 -3.331 2.028 -6.202 123 HB ILE 19 HB ILE 19 -0.738 0.908 -5.055 124 HG12 ILE 19 2HG1 ILE 19 -1.364 3.335 -3.856 125 HG13 ILE 19 3HG1 ILE 19 -2.960 2.660 -4.073 126 HG21 ILE 19 1HG2 ILE 19 -1.231 3.565 -6.431 127 HG22 ILE 19 2HG2 ILE 19 0.231 3.139 -5.500 128 HG23 ILE 19 3HG2 ILE 19 -0.155 2.255 -6.977 129 HD11 ILE 19 3HD1 ILE 19 -2.279 0.644 -2.840 130 HD12 ILE 19 1HD1 ILE 19 -0.608 1.247 -2.729 131 HD13 ILE 19 2HD1 ILE 19 -1.911 2.105 -1.892 132 H CYS 20 H CYS 20 -1.638 -1.046 -6.747 133 HA CYS 20 HA CYS 20 -1.103 -0.314 -9.600 134 HB2 CYS 20 2HB CYS 20 -0.559 -2.904 -8.212 135 HB3 CYS 20 3HB CYS 20 -0.027 -2.399 -9.803 136 H LEU 21 H LEU 21 -3.893 -0.941 -8.079 137 HA LEU 21 HA LEU 21 -5.712 -2.331 -8.329 138 HB2 LEU 21 2HB LEU 21 -5.194 -0.884 -10.820 139 HB3 LEU 21 3HB LEU 21 -6.434 -2.129 -10.840 140 HG LEU 21 HG LEU 21 -6.980 -0.816 -8.440 141 HD11 LEU 21 1HD1 LEU 21 -5.469 0.998 -9.066 142 HD12 LEU 21 2HD1 LEU 21 -6.367 1.244 -10.586 143 HD13 LEU 21 3HD1 LEU 21 -7.159 1.538 -9.017 144 HD21 LEU 21 3HD2 LEU 21 -8.218 -0.473 -11.183 145 HD22 LEU 21 1HD2 LEU 21 -8.547 -1.774 -10.011 146 HD23 LEU 21 2HD2 LEU 21 -8.991 -0.099 -9.621 147 H SER 22 H SER 22 -3.480 -4.038 -8.195 148 HA SER 22 HA SER 22 -4.463 -6.404 -9.575 149 HB2 SER 22 2HB SER 22 -1.991 -4.951 -10.571 150 HB3 SER 22 3HB SER 22 -2.113 -6.715 -10.690 151 HG SER 22 HG SER 22 -4.097 -4.939 -11.658 152 H ILE 23 H ILE 23 -3.047 -8.335 -9.049 153 HA ILE 23 HA ILE 23 -2.540 -8.414 -6.285 154 HB ILE 23 HB ILE 23 -1.361 -10.613 -7.099 155 HG12 ILE 23 2HG1 ILE 23 -1.586 -9.606 -9.579 156 HG13 ILE 23 3HG1 ILE 23 -1.545 -11.283 -9.156 157 HG21 ILE 23 1HG2 ILE 23 -4.348 -10.120 -7.190 158 HG22 ILE 23 2HG2 ILE 23 -3.547 -11.709 -7.045 159 HG23 ILE 23 3HG2 ILE 23 -3.359 -10.511 -5.770 160 HD11 ILE 23 3HD1 ILE 23 -3.361 -10.758 -10.764 161 HD12 ILE 23 1HD1 ILE 23 -3.902 -11.552 -9.274 162 HD13 ILE 23 2HD1 ILE 23 -4.168 -9.811 -9.493 163 H LEU 24 H LEU 24 -0.570 -8.622 -5.133 164 HA LEU 24 HA LEU 24 1.633 -7.079 -6.136 165 HB2 LEU 24 2HB LEU 24 0.990 -8.758 -3.687 166 HB3 LEU 24 3HB LEU 24 2.649 -8.342 -4.004 167 HG LEU 24 HG LEU 24 0.394 -6.362 -3.675 168 HD11 LEU 24 1HD1 LEU 24 2.747 -7.028 -1.844 169 HD12 LEU 24 2HD1 LEU 24 1.502 -5.793 -1.543 170 HD13 LEU 24 3HD1 LEU 24 1.058 -7.505 -1.567 171 HD21 LEU 24 3HD2 LEU 24 3.375 -5.927 -4.099 172 HD22 LEU 24 1HD2 LEU 24 2.030 -5.342 -5.110 173 HD23 LEU 24 2HD2 LEU 24 2.265 -4.674 -3.501 174 H GLU 25 H GLU 25 3.851 -8.050 -5.945 175 HA GLU 25 HA GLU 25 4.136 -10.732 -7.057 176 HB2 GLU 25 2HB GLU 25 5.366 -9.932 -9.033 177 HB3 GLU 25 3HB GLU 25 3.670 -9.417 -9.069 178 HG2 GLU 25 2HG GLU 25 4.330 -7.198 -8.175 179 HG3 GLU 25 3HG GLU 25 6.015 -7.714 -8.137 180 H GLU 26 H GLU 26 6.345 -11.494 -6.769 181 HA GLU 26 HA GLU 26 8.016 -10.029 -4.958 182 HB2 GLU 26 2HB GLU 26 8.486 -12.544 -6.630 183 HB3 GLU 26 3HB GLU 26 9.644 -11.864 -5.489 184 HG2 GLU 26 2HG GLU 26 8.556 -13.604 -4.334 185 HG3 GLU 26 3HG GLU 26 7.970 -12.086 -3.655 186 H GLY 27 H GLY 27 7.950 -8.048 -6.363 187 HA2 GLY 27 2HA GLY 27 9.724 -8.129 -8.745 188 HA3 GLY 27 3HA GLY 27 8.748 -6.757 -8.194 189 H GLU 28 H GLU 28 9.432 -6.052 -5.746 190 HA GLU 28 HA GLU 28 12.287 -6.281 -5.282 191 HB2 GLU 28 2HB GLU 28 11.412 -4.221 -6.826 192 HB3 GLU 28 3HB GLU 28 11.060 -3.550 -5.239 193 HG2 GLU 28 2HG GLU 28 13.552 -4.532 -4.753 194 HG3 GLU 28 3HG GLU 28 13.692 -4.343 -6.497 195 H ASP 29 H ASP 29 12.189 -4.150 -3.378 196 HA ASP 29 HA ASP 29 11.187 -5.747 -1.155 197 HB2 ASP 29 2HB ASP 29 13.302 -4.075 -1.355 198 HB3 ASP 29 3HB ASP 29 12.122 -2.925 -0.729 199 H VAL 30 H VAL 30 9.137 -5.579 -0.331 200 HA VAL 30 HA VAL 30 7.424 -3.401 -1.288 201 HB VAL 30 HB VAL 30 5.659 -4.672 -0.066 202 HG11 VAL 30 1HG1 VAL 30 7.061 -5.369 -2.537 203 HG12 VAL 30 2HG1 VAL 30 6.084 -6.694 -1.866 204 HG13 VAL 30 3HG1 VAL 30 5.324 -5.135 -2.184 205 HG21 VAL 30 3HG2 VAL 30 6.027 -6.908 0.610 206 HG22 VAL 30 1HG2 VAL 30 7.698 -6.890 0.011 207 HG23 VAL 30 2HG2 VAL 30 7.240 -5.888 1.420 208 H ARG 31 H ARG 31 5.722 -2.684 0.624 209 HA ARG 31 HA ARG 31 6.973 -2.426 3.174 210 HB2 ARG 31 2HB ARG 31 7.802 -0.461 1.388 211 HB3 ARG 31 3HB ARG 31 6.462 0.318 2.212 212 HG2 ARG 31 2HG ARG 31 8.522 0.845 3.359 213 HG3 ARG 31 3HG ARG 31 7.611 -0.266 4.409 214 HD2 ARG 31 2HD ARG 31 8.965 -2.159 3.618 215 HD3 ARG 31 3HD ARG 31 9.770 -1.123 2.423 216 HE ARG 31 HE ARG 31 10.225 -0.032 4.982 217 HH11 ARG 31 2HH2 ARG 31 11.035 -2.876 2.945 218 HH12 ARG 31 1HH2 ARG 31 12.456 -3.243 3.690 219 HH21 ARG 31 2HH1 ARG 31 12.246 -0.547 6.100 220 HH22 ARG 31 1HH1 ARG 31 13.165 -1.929 5.599 221 H ARG 32 H ARG 32 5.513 -1.800 4.833 222 HA ARG 32 HA ARG 32 2.757 -1.585 3.873 223 HB2 ARG 32 2HB ARG 32 2.149 -2.390 6.140 224 HB3 ARG 32 3HB ARG 32 3.179 -3.514 5.275 225 HG2 ARG 32 2HG ARG 32 4.932 -1.860 6.815 226 HG3 ARG 32 3HG ARG 32 3.567 -2.272 7.861 227 HD2 ARG 32 2HD ARG 32 3.862 -4.687 7.259 228 HD3 ARG 32 3HD ARG 32 5.226 -4.249 6.238 229 HE ARG 32 HE ARG 32 6.569 -3.858 8.073 230 HH11 ARG 32 2HH2 ARG 32 3.263 -4.686 9.171 231 HH12 ARG 32 1HH2 ARG 32 3.697 -5.028 10.752 232 HH21 ARG 32 2HH1 ARG 32 7.167 -4.223 10.301 233 HH22 ARG 32 1HH1 ARG 32 5.950 -4.691 11.437 234 H LEU 33 H LEU 33 1.272 -0.139 4.771 235 HA LEU 33 HA LEU 33 2.576 2.439 5.320 236 HB2 LEU 33 2HB LEU 33 -0.356 2.297 5.738 237 HB3 LEU 33 3HB LEU 33 0.663 3.510 4.994 238 HG LEU 33 HG LEU 33 0.913 1.725 3.119 239 HD11 LEU 33 1HD1 LEU 33 -0.494 -0.052 3.200 240 HD12 LEU 33 2HD1 LEU 33 -1.032 0.475 4.793 241 HD13 LEU 33 3HD1 LEU 33 -1.899 1.031 3.358 242 HD21 LEU 33 3HD2 LEU 33 0.058 3.959 2.818 243 HD22 LEU 33 1HD2 LEU 33 -0.977 2.814 1.943 244 HD23 LEU 33 2HD2 LEU 33 -1.517 3.492 3.503 245 HA PRO 34 HA PRO 34 2.491 1.775 9.658 246 HB2 PRO 34 2HB PRO 34 1.941 4.356 10.652 247 HB3 PRO 34 3HB PRO 34 3.524 3.669 10.206 248 HG2 PRO 34 2HG PRO 34 1.831 5.581 8.680 249 HG3 PRO 34 3HG PRO 34 3.595 5.368 8.647 250 HD2 PRO 34 2HD PRO 34 1.818 4.429 6.698 251 HD3 PRO 34 3HD PRO 34 3.473 3.803 6.960 252 H CYS 35 H CYS 35 -0.416 2.569 8.020 253 HA CYS 35 HA CYS 35 -2.226 2.702 10.293 254 HB2 CYS 35 2HB CYS 35 -3.944 2.339 8.808 255 HB3 CYS 35 3HB CYS 35 -2.823 3.380 7.940 256 H MET 36 H MET 36 -0.757 0.080 8.453 257 HA MET 36 HA MET 36 -0.570 -2.043 9.928 258 HB2 MET 36 2HB MET 36 -2.592 -2.051 11.079 259 HB3 MET 36 3HB MET 36 -3.552 -1.647 9.643 260 HG2 MET 36 2HG MET 36 -2.115 -4.237 9.529 261 HG3 MET 36 3HG MET 36 -3.378 -4.114 10.753 262 HE1 MET 36 3HE MET 36 -6.663 -3.728 8.922 263 HE2 MET 36 1HE MET 36 -5.830 -4.178 10.425 264 HE3 MET 36 2HE MET 36 -5.717 -2.512 9.811 265 H HIS 37 H HIS 37 -2.655 -1.291 7.107 266 HA HIS 37 HA HIS 37 -2.264 -3.812 5.879 267 HB2 HIS 37 1HB HIS 37 -2.966 -1.159 4.565 268 HB3 HIS 37 2HB HIS 37 -3.215 -2.735 3.866 269 HD2 HIS 37 2HD HIS 37 -4.989 -4.401 4.992 270 HE1 HIS 37 1HE HIS 37 -7.318 -1.419 6.928 271 HE2 HIS 37 2HE HIS 37 -7.231 -3.885 6.222 272 H LEU 38 H LEU 38 -1.090 -4.416 3.932 273 HA LEU 38 HA LEU 38 1.438 -2.902 3.638 274 HB2 LEU 38 2HB LEU 38 1.706 -5.072 4.542 275 HB3 LEU 38 3HB LEU 38 0.866 -5.801 3.177 276 HG LEU 38 HG LEU 38 3.300 -4.136 2.683 277 HD11 LEU 38 1HD1 LEU 38 4.852 -5.954 3.006 278 HD12 LEU 38 2HD1 LEU 38 3.990 -5.640 4.531 279 HD13 LEU 38 3HD1 LEU 38 3.548 -7.027 3.534 280 HD21 LEU 38 3HD2 LEU 38 2.819 -6.813 1.381 281 HD22 LEU 38 1HD2 LEU 38 1.774 -5.491 0.889 282 HD23 LEU 38 2HD2 LEU 38 3.538 -5.364 0.703 283 H PHE 39 H PHE 39 2.490 -2.684 1.593 284 HA PHE 39 HA PHE 39 1.051 -3.364 -0.838 285 HB2 PHE 39 2HB PHE 39 1.503 -0.479 0.041 286 HB3 PHE 39 3HB PHE 39 1.321 -0.891 -1.660 287 HD1 PHE 39 2HD PHE 39 -0.673 -2.756 -2.011 288 HD2 PHE 39 1HD PHE 39 -0.511 0.334 0.978 289 HE1 PHE 39 2HE PHE 39 -3.148 -2.888 -1.742 290 HE2 PHE 39 1HE PHE 39 -2.976 0.218 1.223 291 HZ PHE 39 HZ PHE 39 -4.292 -1.340 -0.269 292 H HIS 40 H HIS 40 2.544 -2.097 -2.760 293 HA HIS 40 HA HIS 40 5.273 -3.105 -2.422 294 HB2 HIS 40 1HB HIS 40 4.049 -1.168 -4.394 295 HB3 HIS 40 2HB HIS 40 5.731 -1.586 -4.406 296 HD2 HIS 40 2HD HIS 40 6.342 -4.221 -5.007 297 HE1 HIS 40 1HE HIS 40 3.035 -4.415 -7.694 298 HE2 HIS 40 2HE HIS 40 5.255 -5.491 -7.034 299 H GLN 41 H GLN 41 7.120 -1.807 -2.054 300 HA GLN 41 HA GLN 41 6.825 0.434 -0.341 301 HB2 GLN 41 2HB GLN 41 8.869 -1.081 -0.491 302 HB3 GLN 41 3HB GLN 41 9.160 -0.446 -2.112 303 HG2 GLN 41 2HG GLN 41 9.204 1.891 -0.752 304 HG3 GLN 41 3HG GLN 41 9.654 0.812 0.569 305 HE21 GLN 41 1HE2 GLN 41 11.135 -1.168 -1.123 306 HE22 GLN 41 2HE2 GLN 41 12.546 -0.312 -1.695 307 H VAL 42 H VAL 42 7.914 0.195 -3.733 308 HA VAL 42 HA VAL 42 8.034 2.987 -4.102 309 HB VAL 42 HB VAL 42 8.645 0.775 -5.586 310 HG11 VAL 42 1HG1 VAL 42 6.614 2.287 -7.267 311 HG12 VAL 42 2HG1 VAL 42 7.674 0.974 -7.796 312 HG13 VAL 42 3HG1 VAL 42 6.394 0.640 -6.620 313 HG21 VAL 42 3HG2 VAL 42 9.600 2.397 -7.204 314 HG22 VAL 42 1HG2 VAL 42 8.620 3.686 -6.468 315 HG23 VAL 42 2HG2 VAL 42 9.890 2.876 -5.523 316 H CYS 43 H CYS 43 5.275 0.951 -3.895 317 HA CYS 43 HA CYS 43 3.394 2.837 -5.335 318 HB2 CYS 43 2HB CYS 43 2.997 0.439 -3.549 319 HB3 CYS 43 3HB CYS 43 1.734 1.511 -4.074 320 H VAL 44 H VAL 44 4.393 1.962 -1.909 321 HA VAL 44 HA VAL 44 2.327 3.456 -0.743 322 HB VAL 44 HB VAL 44 4.258 1.700 0.075 323 HG11 VAL 44 1HG1 VAL 44 5.668 2.668 1.757 324 HG12 VAL 44 2HG1 VAL 44 6.016 3.404 0.188 325 HG13 VAL 44 3HG1 VAL 44 5.070 4.301 1.401 326 HG21 VAL 44 3HG2 VAL 44 3.343 2.010 2.322 327 HG22 VAL 44 1HG2 VAL 44 2.638 3.572 1.822 328 HG23 VAL 44 2HG2 VAL 44 2.080 2.050 1.076 329 H ASP 45 H ASP 45 5.317 4.295 -2.127 330 HA ASP 45 HA ASP 45 5.600 6.987 -0.983 331 HB2 ASP 45 2HB ASP 45 7.599 5.885 -1.827 332 HB3 ASP 45 3HB ASP 45 6.854 5.595 -3.398 333 H GLN 46 H GLN 46 5.075 6.219 -4.495 334 HA GLN 46 HA GLN 46 4.084 8.812 -4.956 335 HB2 GLN 46 2HB GLN 46 3.487 6.302 -6.581 336 HB3 GLN 46 3HB GLN 46 3.276 7.982 -7.112 337 HG2 GLN 46 2HG GLN 46 5.791 8.271 -6.477 338 HG3 GLN 46 3HG GLN 46 5.862 6.503 -6.522 339 HE21 GLN 46 1HE2 GLN 46 7.068 8.699 -8.301 340 HE22 GLN 46 2HE2 GLN 46 6.534 8.246 -9.918 341 H TRP 47 H TRP 47 2.439 6.064 -3.646 342 HA TRP 47 HA TRP 47 -0.242 7.001 -3.988 343 HB2 TRP 47 2HB TRP 47 0.362 4.666 -3.405 344 HB3 TRP 47 3HB TRP 47 0.915 5.213 -1.812 345 HD1 TRP 47 HD1 TRP 47 -0.891 4.789 -0.053 346 HE1 TRP 47 HE1 TRP 47 -3.478 4.872 0.014 347 HE3 TRP 47 HE3 TRP 47 -1.891 6.118 -4.918 348 HZ2 TRP 47 HZ2 TRP 47 -5.586 5.146 -1.759 349 HZ3 TRP 47 HZ3 TRP 47 -4.193 6.435 -5.655 350 HH2 TRP 47 HH2 TRP 47 -6.106 5.899 -4.132 351 H LEU 48 H LEU 48 2.022 7.184 -1.148 352 HA LEU 48 HA LEU 48 0.482 8.885 0.413 353 HB2 LEU 48 2HB LEU 48 3.366 8.160 0.111 354 HB3 LEU 48 3HB LEU 48 3.105 9.658 0.886 355 HG LEU 48 HG LEU 48 1.889 6.987 1.736 356 HD11 LEU 48 1HD1 LEU 48 3.966 8.747 3.098 357 HD12 LEU 48 2HD1 LEU 48 3.414 7.137 3.623 358 HD13 LEU 48 3HD1 LEU 48 4.346 7.308 2.121 359 HD21 LEU 48 3HD2 LEU 48 1.606 9.763 2.970 360 HD22 LEU 48 1HD2 LEU 48 0.301 8.664 2.464 361 HD23 LEU 48 2HD2 LEU 48 1.289 8.262 3.862 362 H ILE 49 H ILE 49 2.575 9.736 -2.381 363 HA ILE 49 HA ILE 49 2.348 12.543 -2.065 364 HB ILE 49 HB ILE 49 2.845 10.821 -4.494 365 HG12 ILE 49 2HG1 ILE 49 4.498 10.555 -2.650 366 HG13 ILE 49 3HG1 ILE 49 5.130 11.141 -4.173 367 HG21 ILE 49 1HG2 ILE 49 2.133 12.923 -5.335 368 HG22 ILE 49 2HG2 ILE 49 3.099 13.806 -4.141 369 HG23 ILE 49 3HG2 ILE 49 3.900 12.884 -5.444 370 HD11 ILE 49 3HD1 ILE 49 4.441 12.898 -1.805 371 HD12 ILE 49 1HD1 ILE 49 6.071 12.326 -2.229 372 HD13 ILE 49 2HD1 ILE 49 5.205 13.416 -3.331 373 H THR 50 H THR 50 0.133 10.140 -3.590 374 HA THR 50 HA THR 50 -1.599 12.344 -4.543 375 HB THR 50 HB THR 50 -2.958 10.342 -5.402 376 HG1 THR 50 1HG THR 50 -0.500 8.976 -5.074 377 HG21 THR 50 1HG2 THR 50 -1.522 11.734 -6.861 378 HG22 THR 50 2HG2 THR 50 -0.120 10.716 -6.461 379 HG23 THR 50 3HG2 THR 50 -1.499 10.028 -7.350 380 H ASN 51 H ASN 51 -2.320 9.261 -2.874 381 HA ASN 51 HA ASN 51 -4.491 10.641 -1.381 382 HB2 ASN 51 2HB ASN 51 -3.896 7.864 -2.279 383 HB3 ASN 51 3HB ASN 51 -4.758 8.013 -0.750 384 HD21 ASN 51 1HD2 ASN 51 -6.914 7.637 -1.128 385 HD22 ASN 51 2HD2 ASN 51 -7.787 8.397 -2.462 386 H LYS 52 H LYS 52 -3.795 11.494 0.507 387 HA LYS 52 HA LYS 52 -1.758 10.169 2.132 388 HB2 LYS 52 2HB LYS 52 -2.373 12.718 1.717 389 HB3 LYS 52 3HB LYS 52 -3.463 12.476 3.085 390 HG2 LYS 52 2HG LYS 52 -1.549 11.859 4.518 391 HG3 LYS 52 3HG LYS 52 -0.480 11.798 3.100 392 HD2 LYS 52 2HD LYS 52 -0.043 13.923 4.070 393 HD3 LYS 52 3HD LYS 52 -1.063 14.239 2.673 394 HE2 LYS 52 2HE LYS 52 -3.075 14.188 4.239 395 HE3 LYS 52 3HE LYS 52 -1.940 14.098 5.594 396 HZ1 LYS 52 3HZ LYS 52 -1.927 16.273 3.596 397 HZ2 LYS 52 1HZ LYS 52 -2.704 16.364 5.050 398 HZ3 LYS 52 2HZ LYS 52 -1.078 16.211 5.008 399 H LYS 53 H LYS 53 -4.199 8.561 1.681 400 HA LYS 53 HA LYS 53 -5.127 8.148 4.435 401 HB2 LYS 53 2HB LYS 53 -7.081 8.241 2.094 402 HB3 LYS 53 3HB LYS 53 -7.417 8.098 3.808 403 HG2 LYS 53 2HG LYS 53 -6.563 10.440 4.157 404 HG3 LYS 53 3HG LYS 53 -6.318 10.571 2.409 405 HD2 LYS 53 2HD LYS 53 -8.388 11.584 2.665 406 HD3 LYS 53 3HD LYS 53 -8.826 9.940 2.191 407 HE2 LYS 53 2HE LYS 53 -10.153 9.916 4.047 408 HE3 LYS 53 3HE LYS 53 -8.647 9.734 4.958 409 HZ1 LYS 53 3HZ LYS 53 -9.684 11.526 5.903 410 HZ2 LYS 53 1HZ LYS 53 -8.532 12.175 5.027 411 HZ3 LYS 53 2HZ LYS 53 -10.092 12.258 4.455 412 H CYS 54 H CYS 54 -6.088 6.002 4.600 413 HA CYS 54 HA CYS 54 -4.408 4.038 3.175 414 HB2 CYS 54 2HB CYS 54 -5.219 3.902 5.531 415 HB3 CYS 54 3HB CYS 54 -6.862 3.693 4.893 416 HA PRO 55 HA PRO 55 -7.345 3.791 -0.251 417 HB2 PRO 55 2HB PRO 55 -6.357 1.543 -1.497 418 HB3 PRO 55 3HB PRO 55 -5.610 3.106 -1.665 419 HG2 PRO 55 2HG PRO 55 -4.823 0.809 0.014 420 HG3 PRO 55 3HG PRO 55 -3.768 2.026 -0.776 421 HD2 PRO 55 2HD PRO 55 -4.515 1.939 1.922 422 HD3 PRO 55 3HD PRO 55 -3.840 3.353 1.133 423 H ILE 56 H ILE 56 -6.574 1.145 1.990 424 HA ILE 56 HA ILE 56 -8.952 -0.404 1.274 425 HB ILE 56 HB ILE 56 -6.791 -0.795 3.341 426 HG12 ILE 56 2HG1 ILE 56 -7.499 -2.522 0.937 427 HG13 ILE 56 3HG1 ILE 56 -6.486 -1.092 0.722 428 HG21 ILE 56 1HG2 ILE 56 -9.239 -2.495 2.649 429 HG22 ILE 56 2HG2 ILE 56 -7.868 -3.077 3.606 430 HG23 ILE 56 3HG2 ILE 56 -8.877 -1.771 4.228 431 HD11 ILE 56 3HD1 ILE 56 -5.883 -3.334 2.663 432 HD12 ILE 56 1HD1 ILE 56 -5.120 -3.088 1.083 433 HD13 ILE 56 2HD1 ILE 56 -4.900 -1.875 2.370 434 H CYS 57 H CYS 57 -7.705 0.824 4.433 435 HA CYS 57 HA CYS 57 -10.368 0.809 5.580 436 HB2 CYS 57 2HB CYS 57 -9.169 1.684 7.556 437 HB3 CYS 57 3HB CYS 57 -8.658 0.138 6.978 438 H ARG 58 H ARG 58 -8.808 3.215 3.648 439 HA ARG 58 HA ARG 58 -9.518 5.277 3.009 440 HB2 ARG 58 2HB ARG 58 -11.907 3.686 3.572 441 HB3 ARG 58 3HB ARG 58 -12.234 5.388 3.840 442 HG2 ARG 58 2HG ARG 58 -12.685 4.628 1.523 443 HG3 ARG 58 3HG ARG 58 -11.503 5.950 1.596 444 HD2 ARG 58 2HD ARG 58 -9.682 4.511 1.069 445 HD3 ARG 58 3HD ARG 58 -10.545 3.089 1.641 446 HE ARG 58 HE ARG 58 -11.110 2.695 -0.447 447 HH11 ARG 58 2HH2 ARG 58 -10.631 6.162 -0.260 448 HH12 ARG 58 1HH2 ARG 58 -11.191 6.524 -1.860 449 HH21 ARG 58 2HH1 ARG 58 -12.003 3.133 -2.567 450 HH22 ARG 58 1HH1 ARG 58 -11.949 4.729 -3.224 451 H VAL 59 H VAL 59 -8.375 5.044 5.743 452 HA VAL 59 HA VAL 59 -9.414 7.694 6.656 453 HB VAL 59 HB VAL 59 -9.094 7.177 8.829 454 HG11 VAL 59 1HG1 VAL 59 -10.452 5.237 9.252 455 HG12 VAL 59 2HG1 VAL 59 -10.955 5.888 7.669 456 HG13 VAL 59 3HG1 VAL 59 -9.869 4.473 7.757 457 HG21 VAL 59 3HG2 VAL 59 -7.994 5.096 9.709 458 HG22 VAL 59 1HG2 VAL 59 -7.399 4.788 8.058 459 HG23 VAL 59 2HG2 VAL 59 -6.915 6.268 8.939 460 H ASP 60 H ASP 60 -7.854 9.179 7.561 461 HA ASP 60 HA ASP 60 -5.390 9.141 6.132 462 HB2 ASP 60 2HB ASP 60 -6.013 10.829 8.603 463 HB3 ASP 60 3HB ASP 60 -4.973 11.200 7.255 464 H ILE 61 H ILE 61 -3.672 7.927 6.770 465 HA ILE 61 HA ILE 61 -3.622 6.259 8.822 466 HB ILE 61 HB ILE 61 -1.172 7.597 7.655 467 HG12 ILE 61 2HG1 ILE 61 -1.627 5.164 6.353 468 HG13 ILE 61 3HG1 ILE 61 -3.255 5.777 6.525 469 HG21 ILE 61 1HG2 ILE 61 -0.266 5.249 8.109 470 HG22 ILE 61 2HG2 ILE 61 -0.559 6.268 9.536 471 HG23 ILE 61 3HG2 ILE 61 -1.715 4.999 9.112 472 HD11 ILE 61 3HD1 ILE 61 -2.371 6.575 4.429 473 HD12 ILE 61 1HD1 ILE 61 -2.364 7.982 5.517 474 HD13 ILE 61 2HD1 ILE 61 -0.859 7.111 5.200 475 H GLU 62 H GLU 62 -2.709 9.638 8.995 476 HA GLU 62 HA GLU 62 -3.333 10.124 11.520 477 HB2 GLU 62 2HB GLU 62 -0.773 8.714 11.641 478 HB3 GLU 62 3HB GLU 62 -0.575 10.346 12.251 479 HG2 GLU 62 2HG GLU 62 -2.600 10.075 13.675 480 HG3 GLU 62 3HG GLU 62 -2.679 8.379 13.207 481 H ALA 63 H ALA 63 -3.851 11.474 9.496 482 HA ALA 63 HA ALA 63 -3.565 13.245 8.106 483 HB1 ALA 63 1HB ALA 63 -3.030 15.350 9.201 484 HB2 ALA 63 2HB ALA 63 -3.951 14.337 10.319 485 HB3 ALA 63 3HB ALA 63 -2.199 14.493 10.529 486 H GLN 64 H GLN 64 -1.109 15.084 8.660 487 HA GLN 64 HA GLN 64 1.322 14.506 8.598 488 HB2 GLN 64 2HB GLN 64 0.412 13.204 6.050 489 HB3 GLN 64 3HB GLN 64 1.869 14.177 5.986 490 HG2 GLN 64 2HG GLN 64 2.806 12.909 7.915 491 HG3 GLN 64 3HG GLN 64 1.418 11.811 7.838 492 HE21 GLN 64 1HE2 GLN 64 4.302 11.152 7.405 493 HE22 GLN 64 2HE2 GLN 64 4.381 10.584 5.743 494 H LEU 65 H LEU 65 2.685 16.131 7.665 495 HA LEU 65 HA LEU 65 1.331 18.647 7.296 496 HB2 LEU 65 2HB LEU 65 4.225 17.726 7.049 497 HB3 LEU 65 3HB LEU 65 3.756 19.406 6.817 498 HG LEU 65 HG LEU 65 3.027 17.904 9.363 499 HD11 LEU 65 1HD1 LEU 65 5.553 19.521 8.833 500 HD12 LEU 65 2HD1 LEU 65 5.024 18.892 10.411 501 HD13 LEU 65 3HD1 LEU 65 5.466 17.767 9.118 502 HD21 LEU 65 3HD2 LEU 65 3.409 20.872 8.747 503 HD22 LEU 65 1HD2 LEU 65 1.841 20.053 8.924 504 HD23 LEU 65 2HD2 LEU 65 2.931 20.180 10.310 505 HA PRO 66 HA PRO 66 1.050 18.500 2.848 506 HB2 PRO 66 2HB PRO 66 0.908 21.140 2.187 507 HB3 PRO 66 3HB PRO 66 -0.384 20.354 3.148 508 HG2 PRO 66 2HG PRO 66 1.973 21.972 4.180 509 HG3 PRO 66 3HG PRO 66 0.237 22.173 4.589 510 HD2 PRO 66 2HD PRO 66 1.956 20.731 6.158 511 HD3 PRO 66 3HD PRO 66 0.244 20.248 5.952 512 H SER 67 H SER 67 2.183 19.409 0.842 513 HA SER 67 HA SER 67 4.897 20.324 1.183 514 HB2 SER 67 2HB SER 67 5.143 17.988 1.947 515 HB3 SER 67 3HB SER 67 4.402 17.399 0.459 516 HG SER 67 HG SER 67 6.772 18.971 0.536 517 H GLU 68 H GLU 68 3.180 18.123 -1.063 518 HA GLU 68 HA GLU 68 2.622 18.192 -3.206 519 HB2 GLU 68 2HB GLU 68 2.409 21.151 -2.659 520 HB3 GLU 68 3HB GLU 68 2.180 20.505 -4.283 521 HG2 GLU 68 2HG GLU 68 0.218 19.465 -3.777 522 HG3 GLU 68 3HG GLU 68 0.750 18.971 -2.174 523 H SER 69 H SER 69 3.430 18.372 -5.387 524 HA SER 69 HA SER 69 5.940 19.508 -5.979 525 HB2 SER 69 2HB SER 69 6.713 17.651 -4.442 526 HB3 SER 69 3HB SER 69 5.904 16.490 -5.519 527 HG SER 69 HG SER 69 7.229 17.524 -7.213 Start of MODEL 5 1 H1 MET 1 H1 MET 1 2.095 -23.386 -13.131 2 H2 MET 1 H2 MET 1 1.146 -23.587 -14.475 3 H3 MET 1 H3 MET 1 1.697 -22.087 -14.034 4 HA MET 1 HA MET 1 -0.617 -22.308 -13.439 5 HB2 MET 1 2HB MET 1 0.506 -24.634 -11.821 6 HB3 MET 1 3HB MET 1 -1.066 -23.897 -11.489 7 HG2 MET 1 2HG MET 1 -0.325 -25.103 -14.183 8 HG3 MET 1 3HG MET 1 -1.147 -25.969 -12.885 9 HE1 MET 1 3HE MET 1 -4.283 -25.732 -14.931 10 HE2 MET 1 1HE MET 1 -2.656 -26.161 -15.508 11 HE3 MET 1 2HE MET 1 -3.204 -26.696 -13.901 12 H LYS 2 H LYS 2 -1.386 -21.450 -11.210 13 HA LYS 2 HA LYS 2 0.720 -20.968 -9.274 14 HB2 LYS 2 2HB LYS 2 -0.815 -18.700 -10.631 15 HB3 LYS 2 3HB LYS 2 -0.315 -18.585 -8.952 16 HG2 LYS 2 2HG LYS 2 2.073 -19.272 -9.890 17 HG3 LYS 2 3HG LYS 2 1.410 -18.669 -11.417 18 HD2 LYS 2 2HD LYS 2 2.589 -16.872 -10.290 19 HD3 LYS 2 3HD LYS 2 0.858 -16.500 -10.243 20 HE2 LYS 2 2HE LYS 2 0.793 -16.560 -7.978 21 HE3 LYS 2 3HE LYS 2 1.626 -18.114 -7.928 22 HZ1 LYS 2 3HZ LYS 2 2.958 -15.493 -8.159 23 HZ2 LYS 2 1HZ LYS 2 2.881 -16.424 -6.808 24 HZ3 LYS 2 2HZ LYS 2 3.721 -16.954 -8.115 25 H GLN 3 H GLN 3 -0.332 -20.270 -7.196 26 HA GLN 3 HA GLN 3 -3.207 -20.326 -7.057 27 HB2 GLN 3 2HB GLN 3 -1.507 -22.521 -5.878 28 HB3 GLN 3 3HB GLN 3 -2.693 -21.778 -4.803 29 HG2 GLN 3 2HG GLN 3 -4.452 -22.162 -6.594 30 HG3 GLN 3 3HG GLN 3 -3.263 -23.174 -7.434 31 HE21 GLN 3 1HE2 GLN 3 -5.884 -23.395 -5.381 32 HE22 GLN 3 2HE2 GLN 3 -5.385 -24.825 -4.490 33 H ASP 4 H ASP 4 -3.881 -19.235 -5.148 34 HA ASP 4 HA ASP 4 -2.153 -18.397 -3.073 35 HB2 ASP 4 2HB ASP 4 -2.364 -15.956 -3.456 36 HB3 ASP 4 3HB ASP 4 -1.343 -16.731 -4.658 37 H GLY 5 H GLY 5 -3.616 -16.824 -1.601 38 HA2 GLY 5 2HA GLY 5 -6.262 -16.393 -1.760 39 HA3 GLY 5 3HA GLY 5 -6.241 -18.152 -1.570 40 H GLU 6 H GLU 6 -6.135 -15.143 0.127 41 HA GLU 6 HA GLU 6 -6.269 -16.635 2.577 42 HB2 GLU 6 2HB GLU 6 -3.867 -15.253 1.911 43 HB3 GLU 6 3HB GLU 6 -4.736 -14.170 3.007 44 HG2 GLU 6 2HG GLU 6 -5.008 -16.039 4.624 45 HG3 GLU 6 3HG GLU 6 -4.142 -17.119 3.522 46 H GLU 7 H GLU 7 -7.491 -15.287 4.192 47 HA GLU 7 HA GLU 7 -9.149 -13.254 2.814 48 HB2 GLU 7 2HB GLU 7 -10.477 -13.248 4.896 49 HB3 GLU 7 3HB GLU 7 -10.481 -14.786 4.052 50 HG2 GLU 7 2HG GLU 7 -8.497 -14.402 6.307 51 HG3 GLU 7 3HG GLU 7 -10.200 -14.599 6.696 52 H GLY 8 H GLY 8 -9.283 -11.080 3.553 53 HA2 GLY 8 2HA GLY 8 -6.848 -10.025 4.753 54 HA3 GLY 8 3HA GLY 8 -8.318 -9.117 4.334 55 H THR 9 H THR 9 -6.473 -10.278 6.924 56 HA THR 9 HA THR 9 -8.558 -10.934 8.790 57 HB THR 9 HB THR 9 -6.613 -10.784 10.352 58 HG1 THR 9 1HG THR 9 -5.315 -9.316 8.998 59 HG21 THR 9 1HG2 THR 9 -6.299 -12.520 7.869 60 HG22 THR 9 2HG2 THR 9 -5.585 -12.830 9.462 61 HG23 THR 9 3HG2 THR 9 -7.347 -12.876 9.258 62 H GLU 10 H GLU 10 -8.131 -9.637 11.093 63 HA GLU 10 HA GLU 10 -9.166 -6.966 10.662 64 HB2 GLU 10 2HB GLU 10 -9.721 -8.456 12.621 65 HB3 GLU 10 3HB GLU 10 -8.067 -8.231 13.214 66 HG2 GLU 10 2HG GLU 10 -8.434 -5.788 13.350 67 HG3 GLU 10 3HG GLU 10 -10.034 -5.970 12.619 68 H GLU 11 H GLU 11 -7.819 -5.552 9.752 69 HA GLU 11 HA GLU 11 -6.037 -4.468 9.084 70 HB2 GLU 11 2HB GLU 11 -5.648 -4.578 11.954 71 HB3 GLU 11 3HB GLU 11 -4.091 -4.605 11.137 72 HG2 GLU 11 2HG GLU 11 -4.750 -2.306 11.541 73 HG3 GLU 11 3HG GLU 11 -4.739 -2.620 9.806 74 H ASP 12 H ASP 12 -3.502 -4.592 9.041 75 HA ASP 12 HA ASP 12 -2.005 -5.300 7.555 76 HB2 ASP 12 2HB ASP 12 -1.450 -6.235 9.847 77 HB3 ASP 12 3HB ASP 12 -1.863 -7.826 9.185 78 H THR 13 H THR 13 -3.151 -5.377 5.733 79 HA THR 13 HA THR 13 -4.226 -7.944 4.711 80 HB THR 13 HB THR 13 -5.726 -6.006 4.661 81 HG1 THR 13 1HG THR 13 -4.805 -6.744 2.087 82 HG21 THR 13 1HG2 THR 13 -4.288 -4.606 2.478 83 HG22 THR 13 2HG2 THR 13 -5.211 -3.965 3.849 84 HG23 THR 13 3HG2 THR 13 -3.519 -4.472 4.055 85 H GLU 14 H GLU 14 -1.610 -8.256 4.891 86 HA GLU 14 HA GLU 14 -0.242 -6.843 2.798 87 HB2 GLU 14 2HB GLU 14 1.729 -8.160 3.455 88 HB3 GLU 14 3HB GLU 14 0.960 -7.374 4.826 89 HG2 GLU 14 2HG GLU 14 0.160 -9.398 5.724 90 HG3 GLU 14 3HG GLU 14 0.341 -10.270 4.203 91 H GLU 15 H GLU 15 -2.235 -8.060 1.337 92 HA GLU 15 HA GLU 15 -0.696 -9.829 -0.326 93 HB2 GLU 15 2HB GLU 15 -2.588 -10.925 1.472 94 HB3 GLU 15 3HB GLU 15 -3.487 -10.747 -0.025 95 HG2 GLU 15 2HG GLU 15 -1.145 -11.822 -0.978 96 HG3 GLU 15 3HG GLU 15 -1.143 -12.507 0.646 97 H LYS 16 H LYS 16 -1.171 -9.425 -2.428 98 HA LYS 16 HA LYS 16 -1.817 -8.381 -4.289 99 HB2 LYS 16 2HB LYS 16 -4.617 -8.342 -3.141 100 HB3 LYS 16 3HB LYS 16 -4.143 -8.149 -4.819 101 HG2 LYS 16 2HG LYS 16 -4.861 -10.365 -4.697 102 HG3 LYS 16 3HG LYS 16 -3.090 -10.512 -4.669 103 HD2 LYS 16 2HD LYS 16 -3.044 -11.145 -2.456 104 HD3 LYS 16 3HD LYS 16 -4.550 -10.300 -2.067 105 HE2 LYS 16 2HE LYS 16 -5.151 -12.552 -1.928 106 HE3 LYS 16 3HE LYS 16 -5.778 -12.030 -3.494 107 HZ1 LYS 16 3HZ LYS 16 -4.663 -14.174 -3.619 108 HZ2 LYS 16 1HZ LYS 16 -3.839 -13.136 -4.518 109 HZ3 LYS 16 2HZ LYS 16 -3.297 -13.570 -3.019 110 H CYS 17 H CYS 17 -0.967 -6.461 -4.664 111 HA CYS 17 HA CYS 17 -1.387 -4.098 -3.184 112 HB2 CYS 17 2HB CYS 17 0.495 -4.596 -4.769 113 HB3 CYS 17 3HB CYS 17 -0.611 -4.287 -6.102 114 H THR 18 H THR 18 -2.646 -2.310 -3.652 115 HA THR 18 HA THR 18 -4.976 -2.775 -5.464 116 HB THR 18 HB THR 18 -5.270 -2.963 -2.877 117 HG1 THR 18 1HG THR 18 -7.026 -1.669 -4.692 118 HG21 THR 18 1HG2 THR 18 -5.877 -0.042 -3.429 119 HG22 THR 18 2HG2 THR 18 -6.148 -0.929 -1.911 120 HG23 THR 18 3HG2 THR 18 -4.488 -0.615 -2.478 121 H ILE 19 H ILE 19 -2.462 -0.526 -4.465 122 HA ILE 19 HA ILE 19 -3.579 1.752 -5.814 123 HB ILE 19 HB ILE 19 -0.815 0.880 -4.847 124 HG12 ILE 19 2HG1 ILE 19 -1.486 3.158 -3.523 125 HG13 ILE 19 3HG1 ILE 19 -3.097 2.528 -3.759 126 HG21 ILE 19 1HG2 ILE 19 -1.587 3.522 -6.122 127 HG22 ILE 19 2HG2 ILE 19 -0.048 3.173 -5.290 128 HG23 ILE 19 3HG2 ILE 19 -0.452 2.310 -6.772 129 HD11 ILE 19 3HD1 ILE 19 -2.451 0.468 -2.564 130 HD12 ILE 19 1HD1 ILE 19 -0.761 1.030 -2.480 131 HD13 ILE 19 2HD1 ILE 19 -2.031 1.898 -1.601 132 H CYS 20 H CYS 20 -1.660 -1.115 -6.656 133 HA CYS 20 HA CYS 20 -1.213 -0.229 -9.459 134 HB2 CYS 20 2HB CYS 20 -0.752 -2.840 -8.061 135 HB3 CYS 20 3HB CYS 20 -0.330 -2.472 -9.736 136 H LEU 21 H LEU 21 -4.039 -1.027 -7.926 137 HA LEU 21 HA LEU 21 -5.815 -2.383 -8.275 138 HB2 LEU 21 2HB LEU 21 -5.437 -0.965 -10.849 139 HB3 LEU 21 3HB LEU 21 -6.741 -2.140 -10.629 140 HG LEU 21 HG LEU 21 -7.252 -0.917 -8.423 141 HD11 LEU 21 1HD1 LEU 21 -5.888 1.318 -9.992 142 HD12 LEU 21 2HD1 LEU 21 -6.853 1.515 -8.508 143 HD13 LEU 21 3HD1 LEU 21 -5.330 0.622 -8.459 144 HD21 LEU 21 3HD2 LEU 21 -8.819 0.572 -9.662 145 HD22 LEU 21 1HD2 LEU 21 -7.904 0.264 -11.159 146 HD23 LEU 21 2HD2 LEU 21 -8.767 -1.062 -10.346 147 H SER 22 H SER 22 -3.559 -3.978 -8.222 148 HA SER 22 HA SER 22 -4.368 -6.368 -9.579 149 HB2 SER 22 2HB SER 22 -2.232 -4.660 -10.873 150 HB3 SER 22 3HB SER 22 -2.019 -6.418 -10.858 151 HG SER 22 HG SER 22 -4.335 -5.096 -11.804 152 H ILE 23 H ILE 23 -2.886 -8.147 -9.152 153 HA ILE 23 HA ILE 23 -2.002 -8.218 -6.540 154 HB ILE 23 HB ILE 23 -1.101 -10.414 -7.144 155 HG12 ILE 23 2HG1 ILE 23 -1.940 -11.213 -9.460 156 HG13 ILE 23 3HG1 ILE 23 -1.777 -9.551 -10.005 157 HG21 ILE 23 1HG2 ILE 23 -3.803 -10.003 -8.429 158 HG22 ILE 23 2HG2 ILE 23 -3.199 -11.359 -7.450 159 HG23 ILE 23 3HG2 ILE 23 -3.549 -9.785 -6.691 160 HD11 ILE 23 3HD1 ILE 23 0.409 -11.207 -8.714 161 HD12 ILE 23 1HD1 ILE 23 0.221 -10.949 -10.468 162 HD13 ILE 23 2HD1 ILE 23 0.590 -9.572 -9.411 163 H LEU 24 H LEU 24 0.138 -8.774 -5.686 164 HA LEU 24 HA LEU 24 2.086 -6.851 -6.549 165 HB2 LEU 24 2HB LEU 24 1.806 -8.938 -4.356 166 HB3 LEU 24 3HB LEU 24 3.399 -8.340 -4.742 167 HG LEU 24 HG LEU 24 1.050 -6.621 -3.951 168 HD11 LEU 24 1HD1 LEU 24 1.917 -7.976 -2.063 169 HD12 LEU 24 2HD1 LEU 24 3.552 -7.357 -2.376 170 HD13 LEU 24 3HD1 LEU 24 2.272 -6.252 -1.835 171 HD21 LEU 24 3HD2 LEU 24 2.567 -5.315 -5.343 172 HD22 LEU 24 1HD2 LEU 24 2.809 -4.831 -3.667 173 HD23 LEU 24 2HD2 LEU 24 3.975 -5.920 -4.450 174 H GLU 25 H GLU 25 4.228 -7.365 -6.967 175 HA GLU 25 HA GLU 25 4.612 -9.761 -8.676 176 HB2 GLU 25 2HB GLU 25 6.207 -8.164 -9.937 177 HB3 GLU 25 3HB GLU 25 4.458 -8.054 -10.224 178 HG2 GLU 25 2HG GLU 25 4.246 -6.184 -8.686 179 HG3 GLU 25 3HG GLU 25 5.953 -6.300 -8.251 180 H GLU 26 H GLU 26 5.496 -10.950 -7.018 181 HA GLU 26 HA GLU 26 7.224 -9.883 -5.061 182 HB2 GLU 26 2HB GLU 26 5.711 -12.028 -5.178 183 HB3 GLU 26 3HB GLU 26 7.150 -12.820 -5.827 184 HG2 GLU 26 2HG GLU 26 8.400 -12.240 -3.785 185 HG3 GLU 26 3HG GLU 26 7.052 -11.239 -3.215 186 H GLY 27 H GLY 27 9.193 -9.001 -5.583 187 HA2 GLY 27 2HA GLY 27 11.203 -10.373 -7.142 188 HA3 GLY 27 3HA GLY 27 10.262 -9.242 -8.124 189 H GLU 28 H GLU 28 9.835 -7.095 -6.248 190 HA GLU 28 HA GLU 28 12.630 -6.257 -5.725 191 HB2 GLU 28 2HB GLU 28 10.913 -5.030 -7.447 192 HB3 GLU 28 3HB GLU 28 10.438 -4.237 -5.953 193 HG2 GLU 28 2HG GLU 28 13.149 -4.058 -5.703 194 HG3 GLU 28 3HG GLU 28 13.054 -4.189 -7.454 195 H ASP 29 H ASP 29 11.965 -4.047 -4.181 196 HA ASP 29 HA ASP 29 11.484 -5.457 -1.621 197 HB2 ASP 29 2HB ASP 29 13.278 -3.424 -2.380 198 HB3 ASP 29 3HB ASP 29 12.046 -2.566 -1.458 199 H VAL 30 H VAL 30 9.517 -5.269 -0.580 200 HA VAL 30 HA VAL 30 7.582 -3.314 -1.667 201 HB VAL 30 HB VAL 30 5.949 -4.662 -0.341 202 HG11 VAL 30 1HG1 VAL 30 6.063 -4.873 -2.686 203 HG12 VAL 30 2HG1 VAL 30 7.470 -5.956 -2.608 204 HG13 VAL 30 3HG1 VAL 30 5.876 -6.493 -2.008 205 HG21 VAL 30 3HG2 VAL 30 8.138 -6.738 -0.276 206 HG22 VAL 30 1HG2 VAL 30 7.685 -5.720 1.122 207 HG23 VAL 30 2HG2 VAL 30 6.503 -6.842 0.409 208 H ARG 31 H ARG 31 5.941 -2.648 0.337 209 HA ARG 31 HA ARG 31 7.342 -2.282 2.788 210 HB2 ARG 31 2HB ARG 31 8.077 -0.340 0.953 211 HB3 ARG 31 3HB ARG 31 6.747 0.435 1.799 212 HG2 ARG 31 2HG ARG 31 8.800 1.031 2.885 213 HG3 ARG 31 3HG ARG 31 7.980 -0.112 3.975 214 HD2 ARG 31 2HD ARG 31 9.389 -1.940 3.196 215 HD3 ARG 31 3HD ARG 31 10.021 -0.945 1.870 216 HE ARG 31 HE ARG 31 10.612 0.231 4.412 217 HH11 ARG 31 2HH2 ARG 31 11.568 -2.386 2.127 218 HH12 ARG 31 1HH2 ARG 31 13.162 -2.421 2.540 219 HH21 ARG 31 2HH1 ARG 31 12.864 0.193 5.054 220 HH22 ARG 31 1HH1 ARG 31 13.952 -0.930 4.308 221 H ARG 32 H ARG 32 6.001 -1.432 4.497 222 HA ARG 32 HA ARG 32 3.176 -1.407 3.716 223 HB2 ARG 32 2HB ARG 32 2.766 -2.436 5.922 224 HB3 ARG 32 3HB ARG 32 3.894 -3.388 4.969 225 HG2 ARG 32 2HG ARG 32 5.713 -1.980 6.355 226 HG3 ARG 32 3HG ARG 32 4.361 -1.826 7.486 227 HD2 ARG 32 2HD ARG 32 4.122 -4.319 7.492 228 HD3 ARG 32 3HD ARG 32 5.406 -4.436 6.289 229 HE ARG 32 HE ARG 32 7.002 -4.144 7.854 230 HH11 ARG 32 2HH2 ARG 32 3.876 -3.397 9.294 231 HH12 ARG 32 1HH2 ARG 32 4.476 -3.126 10.892 232 HH21 ARG 32 2HH1 ARG 32 7.862 -3.799 9.978 233 HH22 ARG 32 1HH1 ARG 32 6.816 -3.388 11.288 234 H LEU 33 H LEU 33 1.719 -0.068 4.941 235 HA LEU 33 HA LEU 33 3.125 2.493 5.422 236 HB2 LEU 33 2HB LEU 33 0.251 2.553 6.002 237 HB3 LEU 33 3HB LEU 33 1.291 3.624 5.082 238 HG LEU 33 HG LEU 33 1.219 1.663 3.345 239 HD11 LEU 33 1HD1 LEU 33 -0.452 0.582 5.203 240 HD12 LEU 33 2HD1 LEU 33 -1.637 1.477 4.247 241 HD13 LEU 33 3HD1 LEU 33 -0.613 0.240 3.474 242 HD21 LEU 33 3HD2 LEU 33 -0.647 2.850 2.228 243 HD22 LEU 33 1HD2 LEU 33 -0.939 3.746 3.742 244 HD23 LEU 33 2HD2 LEU 33 0.603 3.934 2.875 245 HA PRO 34 HA PRO 34 3.430 1.720 9.717 246 HB2 PRO 34 2HB PRO 34 3.095 4.184 10.913 247 HB3 PRO 34 3HB PRO 34 4.547 3.697 9.986 248 HG2 PRO 34 2HG PRO 34 2.164 5.285 9.019 249 HG3 PRO 34 3HG PRO 34 3.902 5.646 8.775 250 HD2 PRO 34 2HD PRO 34 2.416 4.424 6.856 251 HD3 PRO 34 3HD PRO 34 4.117 3.940 7.141 252 H CYS 35 H CYS 35 0.458 2.819 8.426 253 HA CYS 35 HA CYS 35 -1.517 2.613 10.457 254 HB2 CYS 35 2HB CYS 35 -2.015 3.143 8.160 255 HB3 CYS 35 3HB CYS 35 -1.374 1.573 7.646 256 H MET 36 H MET 36 -0.027 -0.046 8.548 257 HA MET 36 HA MET 36 0.385 -2.111 10.098 258 HB2 MET 36 2HB MET 36 -2.571 -1.580 10.154 259 HB3 MET 36 3HB MET 36 -2.074 -3.221 9.830 260 HG2 MET 36 2HG MET 36 -0.842 -1.829 12.200 261 HG3 MET 36 3HG MET 36 -2.502 -2.398 12.284 262 HE1 MET 36 3HE MET 36 1.272 -5.031 12.190 263 HE2 MET 36 1HE MET 36 0.879 -4.131 10.714 264 HE3 MET 36 2HE MET 36 1.216 -3.254 12.236 265 H HIS 37 H HIS 37 -2.087 -1.356 7.538 266 HA HIS 37 HA HIS 37 -1.826 -3.719 6.124 267 HB2 HIS 37 1HB HIS 37 -2.574 -0.935 5.184 268 HB3 HIS 37 2HB HIS 37 -2.999 -2.399 4.384 269 HD2 HIS 37 2HD HIS 37 -4.543 -4.208 6.077 270 HE1 HIS 37 1HE HIS 37 -6.751 -1.118 7.875 271 HE2 HIS 37 2HE HIS 37 -6.685 -3.552 7.459 272 H LEU 38 H LEU 38 -0.833 -4.139 3.975 273 HA LEU 38 HA LEU 38 1.757 -2.692 3.749 274 HB2 LEU 38 2HB LEU 38 2.101 -4.823 4.718 275 HB3 LEU 38 3HB LEU 38 1.176 -5.606 3.452 276 HG LEU 38 HG LEU 38 3.651 -4.129 2.698 277 HD11 LEU 38 1HD1 LEU 38 5.016 -6.134 3.101 278 HD12 LEU 38 2HD1 LEU 38 4.325 -5.554 4.625 279 HD13 LEU 38 3HD1 LEU 38 3.626 -6.956 3.831 280 HD21 LEU 38 3HD2 LEU 38 3.825 -5.851 0.966 281 HD22 LEU 38 1HD2 LEU 38 2.523 -6.798 1.704 282 HD23 LEU 38 2HD2 LEU 38 2.161 -5.268 0.915 283 H PHE 39 H PHE 39 2.793 -2.597 1.651 284 HA PHE 39 HA PHE 39 1.166 -3.264 -0.668 285 HB2 PHE 39 2HB PHE 39 1.694 -0.410 0.234 286 HB3 PHE 39 3HB PHE 39 1.529 -0.738 -1.478 287 HD1 PHE 39 1HD PHE 39 -0.453 -2.564 -1.961 288 HD2 PHE 39 2HD PHE 39 -0.336 0.344 1.201 289 HE1 PHE 39 1HE PHE 39 -2.926 -2.775 -1.681 290 HE2 PHE 39 2HE PHE 39 -2.794 0.192 1.431 291 HZ PHE 39 HZ PHE 39 -4.096 -1.347 -0.094 292 H HIS 40 H HIS 40 2.504 -2.010 -2.640 293 HA HIS 40 HA HIS 40 5.239 -3.039 -2.702 294 HB2 HIS 40 1HB HIS 40 3.493 -1.278 -4.343 295 HB3 HIS 40 2HB HIS 40 5.223 -1.108 -4.583 296 HD2 HIS 40 2HD HIS 40 6.420 -3.599 -5.384 297 HE1 HIS 40 1HE HIS 40 3.312 -3.689 -8.259 298 HE2 HIS 40 2HE HIS 40 5.641 -4.387 -7.768 299 H GLN 41 H GLN 41 7.098 -1.768 -2.464 300 HA GLN 41 HA GLN 41 7.004 0.450 -0.681 301 HB2 GLN 41 2HB GLN 41 8.976 -1.134 -1.001 302 HB3 GLN 41 3HB GLN 41 9.153 -0.510 -2.629 303 HG2 GLN 41 2HG GLN 41 9.247 1.737 -0.826 304 HG3 GLN 41 3HG GLN 41 10.262 0.473 -0.141 305 HE21 GLN 41 1HE2 GLN 41 11.265 -0.763 -2.614 306 HE22 GLN 41 2HE2 GLN 41 12.236 0.452 -3.386 307 H VAL 42 H VAL 42 7.893 0.292 -4.137 308 HA VAL 42 HA VAL 42 7.978 3.102 -4.426 309 HB VAL 42 HB VAL 42 8.514 0.939 -6.005 310 HG11 VAL 42 1HG1 VAL 42 6.191 0.771 -6.866 311 HG12 VAL 42 2HG1 VAL 42 6.334 2.427 -7.512 312 HG13 VAL 42 3HG1 VAL 42 7.375 1.136 -8.130 313 HG21 VAL 42 3HG2 VAL 42 8.365 3.864 -6.830 314 HG22 VAL 42 1HG2 VAL 42 9.723 3.055 -6.012 315 HG23 VAL 42 2HG2 VAL 42 9.302 2.605 -7.672 316 H CYS 43 H CYS 43 5.244 1.040 -4.123 317 HA CYS 43 HA CYS 43 3.295 2.948 -5.438 318 HB2 CYS 43 2HB CYS 43 2.980 0.550 -3.663 319 HB3 CYS 43 3HB CYS 43 1.687 1.589 -4.177 320 H VAL 44 H VAL 44 4.533 2.101 -2.067 321 HA VAL 44 HA VAL 44 2.493 3.549 -0.792 322 HB VAL 44 HB VAL 44 4.562 1.923 -0.072 323 HG11 VAL 44 1HG1 VAL 44 5.362 4.629 1.054 324 HG12 VAL 44 2HG1 VAL 44 6.077 3.046 1.429 325 HG13 VAL 44 3HG1 VAL 44 6.241 3.721 -0.199 326 HG21 VAL 44 3HG2 VAL 44 3.018 3.817 1.723 327 HG22 VAL 44 1HG2 VAL 44 2.473 2.230 1.118 328 HG23 VAL 44 2HG2 VAL 44 3.842 2.325 2.243 329 H ASP 45 H ASP 45 5.324 4.461 -2.467 330 HA ASP 45 HA ASP 45 5.483 7.240 -1.517 331 HB2 ASP 45 2HB ASP 45 7.527 6.222 -2.409 332 HB3 ASP 45 3HB ASP 45 6.735 5.872 -3.937 333 H GLN 46 H GLN 46 4.812 6.102 -4.909 334 HA GLN 46 HA GLN 46 3.671 8.562 -5.636 335 HB2 GLN 46 2HB GLN 46 3.147 5.791 -6.794 336 HB3 GLN 46 3HB GLN 46 2.547 7.300 -7.498 337 HG2 GLN 46 2HG GLN 46 5.062 8.070 -7.366 338 HG3 GLN 46 3HG GLN 46 5.402 6.336 -7.281 339 HE21 GLN 46 1HE2 GLN 46 5.271 8.839 -9.446 340 HE22 GLN 46 2HE2 GLN 46 4.718 7.951 -10.861 341 H TRP 47 H TRP 47 2.229 5.983 -3.844 342 HA TRP 47 HA TRP 47 -0.468 6.842 -4.098 343 HB2 TRP 47 2HB TRP 47 0.246 4.588 -3.306 344 HB3 TRP 47 3HB TRP 47 0.836 5.320 -1.806 345 HD1 TRP 47 HD1 TRP 47 -0.835 4.598 -0.041 346 HE1 TRP 47 HE1 TRP 47 -3.413 4.638 0.197 347 HE3 TRP 47 HE3 TRP 47 -2.205 6.136 -4.771 348 HZ2 TRP 47 HZ2 TRP 47 -5.639 5.027 -1.372 349 HZ3 TRP 47 HZ3 TRP 47 -4.533 6.564 -5.274 350 HH2 TRP 47 HH2 TRP 47 -6.335 5.950 -3.638 351 H LEU 48 H LEU 48 1.851 7.309 -1.341 352 HA LEU 48 HA LEU 48 0.432 9.284 -0.040 353 HB2 LEU 48 2HB LEU 48 3.207 8.287 -0.122 354 HB3 LEU 48 3HB LEU 48 3.106 9.931 0.386 355 HG LEU 48 HG LEU 48 1.404 7.689 1.551 356 HD11 LEU 48 1HD1 LEU 48 3.778 7.267 1.996 357 HD12 LEU 48 2HD1 LEU 48 3.974 8.913 2.636 358 HD13 LEU 48 3HD1 LEU 48 2.943 7.739 3.489 359 HD21 LEU 48 3HD2 LEU 48 1.025 9.251 3.439 360 HD22 LEU 48 1HD2 LEU 48 1.993 10.492 2.614 361 HD23 LEU 48 2HD2 LEU 48 0.443 9.969 1.934 362 H ILE 49 H ILE 49 2.373 9.789 -2.989 363 HA ILE 49 HA ILE 49 2.465 12.598 -2.881 364 HB ILE 49 HB ILE 49 2.313 10.640 -5.170 365 HG12 ILE 49 2HG1 ILE 49 4.278 10.439 -3.651 366 HG13 ILE 49 3HG1 ILE 49 4.639 10.773 -5.335 367 HG21 ILE 49 1HG2 ILE 49 2.852 13.602 -5.292 368 HG22 ILE 49 2HG2 ILE 49 3.303 12.446 -6.577 369 HG23 ILE 49 3HG2 ILE 49 1.604 12.678 -6.148 370 HD11 ILE 49 3HD1 ILE 49 4.552 12.842 -3.132 371 HD12 ILE 49 1HD1 ILE 49 6.023 12.085 -3.782 372 HD13 ILE 49 2HD1 ILE 49 5.028 13.117 -4.831 373 H THR 50 H THR 50 -0.283 10.498 -3.476 374 HA THR 50 HA THR 50 -1.934 12.803 -4.369 375 HB THR 50 HB THR 50 -3.250 11.044 -5.574 376 HG1 THR 50 1HG THR 50 -0.985 9.373 -5.093 377 HG21 THR 50 1HG2 THR 50 -1.716 10.828 -7.442 378 HG22 THR 50 2HG2 THR 50 -1.508 12.433 -6.712 379 HG23 THR 50 3HG2 THR 50 -0.317 11.149 -6.399 380 H ASN 51 H ASN 51 -2.333 9.552 -2.868 381 HA ASN 51 HA ASN 51 -4.776 10.196 -1.591 382 HB2 ASN 51 2HB ASN 51 -4.726 8.045 -0.816 383 HB3 ASN 51 3HB ASN 51 -3.508 7.893 -2.074 384 HD21 ASN 51 1HD2 ASN 51 -4.085 6.930 1.052 385 HD22 ASN 51 2HD2 ASN 51 -2.433 7.006 1.656 386 H LYS 52 H LYS 52 -5.127 10.160 0.761 387 HA LYS 52 HA LYS 52 -2.775 10.941 2.400 388 HB2 LYS 52 2HB LYS 52 -4.624 12.834 1.613 389 HB3 LYS 52 3HB LYS 52 -5.266 12.345 3.188 390 HG2 LYS 52 2HG LYS 52 -2.902 12.637 4.100 391 HG3 LYS 52 3HG LYS 52 -2.459 13.380 2.560 392 HD2 LYS 52 2HD LYS 52 -4.750 14.425 4.287 393 HD3 LYS 52 3HD LYS 52 -3.076 14.885 4.555 394 HE2 LYS 52 2HE LYS 52 -4.055 16.619 3.280 395 HE3 LYS 52 3HE LYS 52 -2.901 15.771 2.244 396 HZ1 LYS 52 3HZ LYS 52 -5.813 15.304 2.210 397 HZ2 LYS 52 1HZ LYS 52 -5.025 16.316 1.178 398 HZ3 LYS 52 2HZ LYS 52 -4.698 14.714 1.139 399 H LYS 53 H LYS 53 -5.095 8.603 1.987 400 HA LYS 53 HA LYS 53 -5.389 8.043 4.834 401 HB2 LYS 53 2HB LYS 53 -7.728 8.316 2.864 402 HB3 LYS 53 3HB LYS 53 -7.819 7.734 4.528 403 HG2 LYS 53 2HG LYS 53 -6.830 9.991 5.214 404 HG3 LYS 53 3HG LYS 53 -7.200 10.565 3.585 405 HD2 LYS 53 2HD LYS 53 -9.226 9.280 5.461 406 HD3 LYS 53 3HD LYS 53 -8.975 11.026 5.350 407 HE2 LYS 53 2HE LYS 53 -9.353 9.634 2.749 408 HE3 LYS 53 3HE LYS 53 -10.763 9.596 3.821 409 HZ1 LYS 53 3HZ LYS 53 -10.699 11.960 3.967 410 HZ2 LYS 53 1HZ LYS 53 -9.313 12.061 3.099 411 HZ3 LYS 53 2HZ LYS 53 -10.710 11.563 2.367 412 H CYS 54 H CYS 54 -6.125 5.890 5.126 413 HA CYS 54 HA CYS 54 -4.494 4.135 3.508 414 HB2 CYS 54 2HB CYS 54 -5.450 3.981 5.969 415 HB3 CYS 54 3HB CYS 54 -6.782 3.143 5.148 416 HA PRO 55 HA PRO 55 -7.567 3.424 0.325 417 HB2 PRO 55 2HB PRO 55 -6.418 1.340 -1.029 418 HB3 PRO 55 3HB PRO 55 -5.850 2.992 -1.155 419 HG2 PRO 55 2HG PRO 55 -4.755 0.734 0.415 420 HG3 PRO 55 3HG PRO 55 -3.860 2.043 -0.411 421 HD2 PRO 55 2HD PRO 55 -4.457 1.893 2.328 422 HD3 PRO 55 3HD PRO 55 -3.970 3.369 1.512 423 H ILE 56 H ILE 56 -6.643 1.150 2.852 424 HA ILE 56 HA ILE 56 -9.002 -0.537 2.293 425 HB ILE 56 HB ILE 56 -6.778 -0.925 4.339 426 HG12 ILE 56 2HG1 ILE 56 -6.634 -2.976 2.475 427 HG13 ILE 56 3HG1 ILE 56 -6.994 -1.604 1.439 428 HG21 ILE 56 1HG2 ILE 56 -8.924 -1.961 4.969 429 HG22 ILE 56 2HG2 ILE 56 -9.026 -2.729 3.369 430 HG23 ILE 56 3HG2 ILE 56 -7.737 -3.187 4.507 431 HD11 ILE 56 3HD1 ILE 56 -4.515 -2.055 1.934 432 HD12 ILE 56 1HD1 ILE 56 -5.061 -0.387 2.275 433 HD13 ILE 56 2HD1 ILE 56 -4.833 -1.537 3.585 434 H CYS 57 H CYS 57 -7.518 0.618 5.385 435 HA CYS 57 HA CYS 57 -10.062 0.696 6.677 436 HB2 CYS 57 2HB CYS 57 -8.782 1.831 8.475 437 HB3 CYS 57 3HB CYS 57 -8.243 0.251 8.031 438 H ARG 58 H ARG 58 -8.745 3.038 4.499 439 HA ARG 58 HA ARG 58 -9.553 4.987 3.779 440 HB2 ARG 58 2HB ARG 58 -11.671 3.348 4.193 441 HB3 ARG 58 3HB ARG 58 -12.163 4.711 5.194 442 HG2 ARG 58 2HG ARG 58 -11.391 4.773 2.237 443 HG3 ARG 58 3HG ARG 58 -13.033 4.824 2.889 444 HD2 ARG 58 2HD ARG 58 -12.413 6.946 4.105 445 HD3 ARG 58 3HD ARG 58 -10.887 6.963 3.211 446 HE ARG 58 HE ARG 58 -13.543 7.662 2.300 447 HH11 ARG 58 2HH2 ARG 58 -10.457 6.402 1.137 448 HH12 ARG 58 1HH2 ARG 58 -10.659 6.941 -0.491 449 HH21 ARG 58 2HH1 ARG 58 -13.856 8.384 0.121 450 HH22 ARG 58 1HH1 ARG 58 -12.651 8.101 -1.078 451 H VAL 59 H VAL 59 -8.194 4.952 6.513 452 HA VAL 59 HA VAL 59 -9.246 7.594 7.433 453 HB VAL 59 HB VAL 59 -8.706 7.110 9.601 454 HG11 VAL 59 1HG1 VAL 59 -10.665 5.814 8.632 455 HG12 VAL 59 2HG1 VAL 59 -9.578 4.399 8.611 456 HG13 VAL 59 3HG1 VAL 59 -10.001 5.164 10.154 457 HG21 VAL 59 3HG2 VAL 59 -7.068 4.737 8.660 458 HG22 VAL 59 1HG2 VAL 59 -6.523 6.210 9.510 459 HG23 VAL 59 2HG2 VAL 59 -7.514 5.019 10.360 460 H ASP 60 H ASP 60 -7.597 9.130 8.271 461 HA ASP 60 HA ASP 60 -5.365 9.086 6.525 462 HB2 ASP 60 2HB ASP 60 -5.690 10.824 9.032 463 HB3 ASP 60 3HB ASP 60 -4.766 11.146 7.590 464 H ILE 61 H ILE 61 -3.454 8.159 6.822 465 HA ILE 61 HA ILE 61 -2.879 6.304 8.623 466 HB ILE 61 HB ILE 61 -0.844 8.115 7.309 467 HG12 ILE 61 2HG1 ILE 61 -1.162 5.785 5.788 468 HG13 ILE 61 3HG1 ILE 61 -2.811 6.135 6.256 469 HG21 ILE 61 1HG2 ILE 61 -0.726 5.240 8.263 470 HG22 ILE 61 2HG2 ILE 61 0.542 6.066 7.310 471 HG23 ILE 61 3HG2 ILE 61 0.157 6.621 8.949 472 HD11 ILE 61 3HD1 ILE 61 -2.408 7.284 4.191 473 HD12 ILE 61 1HD1 ILE 61 -2.339 8.551 5.441 474 HD13 ILE 61 2HD1 ILE 61 -0.839 7.905 4.764 475 H GLU 62 H GLU 62 -2.477 9.707 9.123 476 HA GLU 62 HA GLU 62 -1.908 11.042 10.824 477 HB2 GLU 62 2HB GLU 62 -3.531 8.950 12.003 478 HB3 GLU 62 3HB GLU 62 -2.378 9.590 13.184 479 HG2 GLU 62 2HG GLU 62 -3.046 11.921 12.511 480 HG3 GLU 62 3HG GLU 62 -4.302 11.224 11.482 481 H ALA 63 H ALA 63 0.160 11.465 10.583 482 HA ALA 63 HA ALA 63 2.044 9.950 12.334 483 HB1 ALA 63 1HB ALA 63 2.619 10.922 9.505 484 HB2 ALA 63 2HB ALA 63 3.786 10.173 10.616 485 HB3 ALA 63 3HB ALA 63 2.411 9.225 10.005 486 H GLN 64 H GLN 64 3.534 11.197 13.397 487 HA GLN 64 HA GLN 64 3.106 14.110 13.478 488 HB2 GLN 64 2HB GLN 64 4.800 12.112 15.020 489 HB3 GLN 64 3HB GLN 64 5.166 13.841 15.101 490 HG2 GLN 64 2HG GLN 64 2.865 14.336 15.822 491 HG3 GLN 64 3HG GLN 64 2.474 12.607 15.801 492 HE21 GLN 64 1HE2 GLN 64 2.842 14.858 18.049 493 HE22 GLN 64 2HE2 GLN 64 3.832 13.978 19.205 494 H LEU 65 H LEU 65 5.069 15.471 13.352 495 HA LEU 65 HA LEU 65 6.251 16.556 11.723 496 HB2 LEU 65 2HB LEU 65 8.579 16.047 11.923 497 HB3 LEU 65 3HB LEU 65 7.765 16.056 13.473 498 HG LEU 65 HG LEU 65 7.819 13.320 12.451 499 HD11 LEU 65 1HD1 LEU 65 10.258 12.971 12.486 500 HD12 LEU 65 2HD1 LEU 65 9.808 14.071 11.175 501 HD13 LEU 65 3HD1 LEU 65 10.523 14.722 12.666 502 HD21 LEU 65 3HD2 LEU 65 7.577 13.989 14.823 503 HD22 LEU 65 1HD2 LEU 65 8.959 12.909 14.580 504 HD23 LEU 65 2HD2 LEU 65 9.227 14.650 14.802 505 HA PRO 66 HA PRO 66 5.704 13.745 8.138 506 HB2 PRO 66 2HB PRO 66 4.159 15.389 6.584 507 HB3 PRO 66 3HB PRO 66 3.477 14.408 7.920 508 HG2 PRO 66 2HG PRO 66 4.333 17.321 8.008 509 HG3 PRO 66 3HG PRO 66 2.772 16.614 8.545 510 HD2 PRO 66 2HD PRO 66 4.803 17.102 10.283 511 HD3 PRO 66 3HD PRO 66 3.773 15.644 10.462 512 H SER 67 H SER 67 6.215 14.310 5.739 513 HA SER 67 HA SER 67 8.293 16.379 5.479 514 HB2 SER 67 2HB SER 67 9.494 14.446 6.297 515 HB3 SER 67 3HB SER 67 8.620 13.356 5.211 516 HG SER 67 HG SER 67 9.812 13.978 3.562 517 H GLU 68 H GLU 68 9.094 15.970 3.034 518 HA GLU 68 HA GLU 68 6.785 15.785 1.215 519 HB2 GLU 68 2HB GLU 68 8.763 17.367 0.931 520 HB3 GLU 68 3HB GLU 68 9.779 15.950 0.622 521 HG2 GLU 68 2HG GLU 68 8.345 15.358 -1.318 522 HG3 GLU 68 3HG GLU 68 7.299 16.743 -0.973 523 H SER 69 H SER 69 6.516 13.919 -0.130 524 HA SER 69 HA SER 69 6.108 11.715 -0.249 525 HB2 SER 69 2HB SER 69 9.128 11.706 -0.173 526 HB3 SER 69 3HB SER 69 8.191 10.208 -0.327 527 HG SER 69 HG SER 69 7.804 10.645 -2.303 Start of MODEL 6 1 H1 MET 1 H1 MET 1 8.493 -13.883 2.824 2 H2 MET 1 H2 MET 1 8.175 -13.112 1.394 3 H3 MET 1 H3 MET 1 6.941 -13.726 2.299 4 HA MET 1 HA MET 1 7.326 -15.166 0.462 5 HB2 MET 1 2HB MET 1 10.155 -15.375 1.595 6 HB3 MET 1 3HB MET 1 9.472 -16.382 0.312 7 HG2 MET 1 2HG MET 1 10.621 -14.775 -0.902 8 HG3 MET 1 3HG MET 1 8.969 -14.164 -0.919 9 HE1 MET 1 3HE MET 1 12.203 -13.973 1.510 10 HE2 MET 1 1HE MET 1 12.608 -13.618 -0.187 11 HE3 MET 1 2HE MET 1 12.703 -12.333 1.034 12 H LYS 2 H LYS 2 6.319 -17.042 0.932 13 HA LYS 2 HA LYS 2 7.462 -19.011 2.405 14 HB2 LYS 2 2HB LYS 2 6.016 -17.361 4.270 15 HB3 LYS 2 3HB LYS 2 5.108 -18.870 4.077 16 HG2 LYS 2 2HG LYS 2 7.065 -20.210 4.570 17 HG3 LYS 2 3HG LYS 2 8.125 -18.800 4.502 18 HD2 LYS 2 2HD LYS 2 7.795 -19.478 6.782 19 HD3 LYS 2 3HD LYS 2 7.106 -17.868 6.520 20 HE2 LYS 2 2HE LYS 2 4.925 -18.592 6.803 21 HE3 LYS 2 3HE LYS 2 5.254 -20.204 6.149 22 HZ1 LYS 2 3HZ LYS 2 6.123 -19.296 8.818 23 HZ2 LYS 2 1HZ LYS 2 4.799 -20.228 8.516 24 HZ3 LYS 2 2HZ LYS 2 6.298 -20.809 8.186 25 H GLN 3 H GLN 3 4.277 -17.762 1.759 26 HA GLN 3 HA GLN 3 2.661 -18.300 0.242 27 HB2 GLN 3 2HB GLN 3 4.395 -20.582 -0.744 28 HB3 GLN 3 3HB GLN 3 2.948 -19.953 -1.494 29 HG2 GLN 3 2HG GLN 3 3.991 -18.178 -2.441 30 HG3 GLN 3 3HG GLN 3 4.999 -17.849 -1.043 31 HE21 GLN 3 1HE2 GLN 3 6.514 -20.207 -0.713 32 HE22 GLN 3 2HE2 GLN 3 7.498 -20.355 -2.163 33 H ASP 4 H ASP 4 1.532 -18.697 2.214 34 HA ASP 4 HA ASP 4 0.508 -21.380 2.446 35 HB2 ASP 4 2HB ASP 4 2.694 -21.089 3.950 36 HB3 ASP 4 3HB ASP 4 1.617 -20.161 4.995 37 H GLY 5 H GLY 5 -1.289 -21.106 4.446 38 HA2 GLY 5 2HA GLY 5 -2.023 -18.375 4.985 39 HA3 GLY 5 3HA GLY 5 -3.094 -19.096 3.766 40 H GLU 6 H GLU 6 -3.260 -18.334 6.817 41 HA GLU 6 HA GLU 6 -4.760 -20.691 7.626 42 HB2 GLU 6 2HB GLU 6 -3.717 -20.471 9.887 43 HB3 GLU 6 3HB GLU 6 -2.589 -20.999 8.647 44 HG2 GLU 6 2HG GLU 6 -2.787 -18.045 9.317 45 HG3 GLU 6 3HG GLU 6 -1.928 -19.130 10.400 46 H GLU 7 H GLU 7 -5.953 -20.061 9.826 47 HA GLU 7 HA GLU 7 -7.484 -17.655 9.174 48 HB2 GLU 7 2HB GLU 7 -8.565 -19.799 9.932 49 HB3 GLU 7 3HB GLU 7 -7.721 -19.659 11.477 50 HG2 GLU 7 2HG GLU 7 -10.003 -18.866 11.730 51 HG3 GLU 7 3HG GLU 7 -8.903 -17.500 11.913 52 H GLY 8 H GLY 8 -7.046 -15.689 10.080 53 HA2 GLY 8 2HA GLY 8 -6.446 -14.952 12.618 54 HA3 GLY 8 3HA GLY 8 -4.863 -15.519 12.065 55 H THR 9 H THR 9 -7.252 -12.924 11.831 56 HA THR 9 HA THR 9 -5.891 -11.512 9.681 57 HB THR 9 HB THR 9 -7.461 -9.736 10.371 58 HG1 THR 9 1HG THR 9 -7.625 -10.336 12.549 59 HG21 THR 9 1HG2 THR 9 -8.150 -11.362 8.671 60 HG22 THR 9 2HG2 THR 9 -8.691 -12.497 9.929 61 HG23 THR 9 3HG2 THR 9 -9.530 -10.951 9.709 62 H GLU 10 H GLU 10 -3.691 -11.681 10.678 63 HA GLU 10 HA GLU 10 -3.255 -10.049 13.072 64 HB2 GLU 10 2HB GLU 10 -1.894 -12.193 11.837 65 HB3 GLU 10 3HB GLU 10 -0.820 -10.805 11.620 66 HG2 GLU 10 2HG GLU 10 -1.000 -10.300 14.051 67 HG3 GLU 10 3HG GLU 10 -2.114 -11.656 14.254 68 H GLU 11 H GLU 11 -1.014 -8.595 12.638 69 HA GLU 11 HA GLU 11 -2.034 -6.348 11.104 70 HB2 GLU 11 2HB GLU 11 -0.800 -6.257 13.313 71 HB3 GLU 11 3HB GLU 11 0.677 -6.719 12.461 72 HG2 GLU 11 2HG GLU 11 0.643 -4.651 11.176 73 HG3 GLU 11 3HG GLU 11 -1.000 -4.284 11.718 74 H ASP 12 H ASP 12 -0.444 -5.259 9.406 75 HA ASP 12 HA ASP 12 0.249 -5.441 7.239 76 HB2 ASP 12 2HB ASP 12 2.035 -7.574 8.476 77 HB3 ASP 12 3HB ASP 12 2.135 -7.036 6.798 78 H THR 13 H THR 13 -2.105 -6.164 7.330 79 HA THR 13 HA THR 13 -2.548 -8.777 6.095 80 HB THR 13 HB THR 13 -4.269 -7.539 7.410 81 HG1 THR 13 1HG THR 13 -4.954 -8.230 4.742 82 HG21 THR 13 1HG2 THR 13 -4.879 -5.983 4.922 83 HG22 THR 13 2HG2 THR 13 -5.373 -5.664 6.607 84 HG23 THR 13 3HG2 THR 13 -3.691 -5.355 6.080 85 H GLU 14 H GLU 14 -0.782 -8.605 4.684 86 HA GLU 14 HA GLU 14 -0.804 -6.776 2.426 87 HB2 GLU 14 2HB GLU 14 1.266 -7.907 3.112 88 HB3 GLU 14 3HB GLU 14 0.548 -9.500 2.955 89 HG2 GLU 14 2HG GLU 14 0.713 -7.653 0.561 90 HG3 GLU 14 3HG GLU 14 2.139 -8.550 1.088 91 H GLU 15 H GLU 15 -2.309 -6.914 0.796 92 HA GLU 15 HA GLU 15 -2.748 -9.552 -0.271 93 HB2 GLU 15 2HB GLU 15 -5.035 -7.718 0.553 94 HB3 GLU 15 3HB GLU 15 -5.223 -8.797 -0.825 95 HG2 GLU 15 2HG GLU 15 -4.465 -10.705 0.717 96 HG3 GLU 15 3HG GLU 15 -4.805 -9.586 2.055 97 H LYS 16 H LYS 16 -4.115 -9.076 -2.418 98 HA LYS 16 HA LYS 16 -2.634 -8.139 -4.414 99 HB2 LYS 16 2HB LYS 16 -4.707 -9.270 -4.784 100 HB3 LYS 16 3HB LYS 16 -5.621 -8.063 -3.899 101 HG2 LYS 16 2HG LYS 16 -4.312 -6.839 -6.215 102 HG3 LYS 16 3HG LYS 16 -5.292 -8.227 -6.692 103 HD2 LYS 16 2HD LYS 16 -7.232 -7.330 -5.522 104 HD3 LYS 16 3HD LYS 16 -6.275 -5.963 -4.904 105 HE2 LYS 16 2HE LYS 16 -5.882 -5.138 -7.160 106 HE3 LYS 16 3HE LYS 16 -6.675 -6.560 -7.865 107 HZ1 LYS 16 3HZ LYS 16 -8.727 -5.858 -6.807 108 HZ2 LYS 16 1HZ LYS 16 -7.991 -4.516 -6.190 109 HZ3 LYS 16 2HZ LYS 16 -8.164 -4.691 -7.820 110 H CYS 17 H CYS 17 -1.745 -6.244 -5.146 111 HA CYS 17 HA CYS 17 -1.966 -3.872 -3.664 112 HB2 CYS 17 2HB CYS 17 -0.107 -4.734 -5.259 113 HB3 CYS 17 3HB CYS 17 -1.098 -3.979 -6.510 114 H THR 18 H THR 18 -3.204 -2.155 -3.996 115 HA THR 18 HA THR 18 -5.324 -2.330 -6.111 116 HB THR 18 HB THR 18 -5.835 -2.521 -3.548 117 HG1 THR 18 1HG THR 18 -7.448 -1.084 -5.378 118 HG21 THR 18 1HG2 THR 18 -6.189 0.431 -4.170 119 HG22 THR 18 2HG2 THR 18 -6.774 -0.416 -2.721 120 HG23 THR 18 3HG2 THR 18 -5.026 -0.257 -3.010 121 H ILE 19 H ILE 19 -2.699 -0.421 -4.815 122 HA ILE 19 HA ILE 19 -3.411 1.945 -6.300 123 HB ILE 19 HB ILE 19 -0.843 0.873 -5.030 124 HG12 ILE 19 2HG1 ILE 19 -1.546 3.089 -3.599 125 HG13 ILE 19 3HG1 ILE 19 -3.147 2.620 -4.101 126 HG21 ILE 19 1HG2 ILE 19 0.047 3.118 -5.246 127 HG22 ILE 19 2HG2 ILE 19 -0.243 2.352 -6.814 128 HG23 ILE 19 3HG2 ILE 19 -1.378 3.596 -6.213 129 HD11 ILE 19 3HD1 ILE 19 -1.672 1.658 -1.927 130 HD12 ILE 19 1HD1 ILE 19 -3.169 0.953 -2.570 131 HD13 ILE 19 2HD1 ILE 19 -1.587 0.325 -3.087 132 H CYS 20 H CYS 20 -1.564 -1.058 -6.809 133 HA CYS 20 HA CYS 20 -0.981 -0.299 -9.665 134 HB2 CYS 20 2HB CYS 20 -0.376 -2.851 -8.236 135 HB3 CYS 20 3HB CYS 20 0.201 -2.325 -9.809 136 H LEU 21 H LEU 21 -3.801 -0.997 -8.274 137 HA LEU 21 HA LEU 21 -5.550 -2.486 -8.573 138 HB2 LEU 21 2HB LEU 21 -4.983 -1.179 -11.155 139 HB3 LEU 21 3HB LEU 21 -6.305 -2.334 -10.995 140 HG LEU 21 HG LEU 21 -6.749 -0.896 -8.741 141 HD11 LEU 21 1HD1 LEU 21 -4.982 0.718 -9.300 142 HD12 LEU 21 2HD1 LEU 21 -5.804 1.104 -10.833 143 HD13 LEU 21 3HD1 LEU 21 -6.585 1.475 -9.273 144 HD21 LEU 21 3HD2 LEU 21 -8.376 -1.602 -10.375 145 HD22 LEU 21 1HD2 LEU 21 -8.592 0.120 -10.007 146 HD23 LEU 21 2HD2 LEU 21 -7.811 -0.371 -11.533 147 H SER 22 H SER 22 -3.343 -4.201 -8.310 148 HA SER 22 HA SER 22 -4.224 -6.548 -9.771 149 HB2 SER 22 2HB SER 22 -1.710 -5.088 -10.638 150 HB3 SER 22 3HB SER 22 -1.788 -6.857 -10.726 151 HG SER 22 HG SER 22 -3.724 -5.132 -11.865 152 H ILE 23 H ILE 23 -2.854 -8.502 -9.169 153 HA ILE 23 HA ILE 23 -2.373 -8.582 -6.397 154 HB ILE 23 HB ILE 23 -1.142 -10.754 -7.204 155 HG12 ILE 23 2HG1 ILE 23 -1.372 -9.747 -9.685 156 HG13 ILE 23 3HG1 ILE 23 -1.293 -11.424 -9.262 157 HG21 ILE 23 1HG2 ILE 23 -4.140 -10.336 -7.320 158 HG22 ILE 23 2HG2 ILE 23 -3.298 -11.903 -7.164 159 HG23 ILE 23 3HG2 ILE 23 -3.151 -10.698 -5.891 160 HD11 ILE 23 3HD1 ILE 23 -3.648 -11.745 -9.393 161 HD12 ILE 23 1HD1 ILE 23 -3.944 -10.010 -9.627 162 HD13 ILE 23 2HD1 ILE 23 -3.109 -10.950 -10.883 163 H LEU 24 H LEU 24 -0.370 -8.826 -5.252 164 HA LEU 24 HA LEU 24 1.756 -7.146 -6.184 165 HB2 LEU 24 2HB LEU 24 1.171 -8.946 -3.809 166 HB3 LEU 24 3HB LEU 24 2.822 -8.471 -4.108 167 HG LEU 24 HG LEU 24 0.516 -6.560 -3.701 168 HD11 LEU 24 1HD1 LEU 24 1.179 -7.802 -1.674 169 HD12 LEU 24 2HD1 LEU 24 2.865 -7.289 -1.889 170 HD13 LEU 24 3HD1 LEU 24 1.597 -6.091 -1.526 171 HD21 LEU 24 3HD2 LEU 24 2.140 -5.448 -5.070 172 HD22 LEU 24 1HD2 LEU 24 2.377 -4.861 -3.427 173 HD23 LEU 24 2HD2 LEU 24 3.493 -6.074 -4.095 174 H GLU 25 H GLU 25 4.004 -8.022 -6.058 175 HA GLU 25 HA GLU 25 4.380 -10.647 -7.293 176 HB2 GLU 25 2HB GLU 25 5.512 -9.683 -9.244 177 HB3 GLU 25 3HB GLU 25 3.829 -9.126 -9.173 178 HG2 GLU 25 2HG GLU 25 4.713 -7.092 -7.902 179 HG3 GLU 25 3HG GLU 25 6.334 -7.597 -8.378 180 H GLU 26 H GLU 26 6.429 -11.463 -6.585 181 HA GLU 26 HA GLU 26 8.251 -9.914 -5.063 182 HB2 GLU 26 2HB GLU 26 8.392 -12.540 -6.590 183 HB3 GLU 26 3HB GLU 26 9.853 -11.796 -5.952 184 HG2 GLU 26 2HG GLU 26 9.211 -13.325 -4.323 185 HG3 GLU 26 3HG GLU 26 8.858 -11.725 -3.678 186 H GLY 27 H GLY 27 8.253 -7.943 -6.327 187 HA2 GLY 27 2HA GLY 27 9.950 -8.010 -8.795 188 HA3 GLY 27 3HA GLY 27 8.911 -6.670 -8.272 189 H GLU 28 H GLU 28 9.518 -5.867 -5.869 190 HA GLU 28 HA GLU 28 12.368 -6.054 -5.321 191 HB2 GLU 28 2HB GLU 28 11.457 -3.961 -6.814 192 HB3 GLU 28 3HB GLU 28 11.092 -3.348 -5.206 193 HG2 GLU 28 2HG GLU 28 13.568 -4.227 -4.681 194 HG3 GLU 28 3HG GLU 28 13.751 -4.157 -6.429 195 H ASP 29 H ASP 29 12.166 -4.010 -3.351 196 HA ASP 29 HA ASP 29 11.150 -5.661 -1.196 197 HB2 ASP 29 2HB ASP 29 13.237 -4.085 -1.262 198 HB3 ASP 29 3HB ASP 29 12.082 -2.793 -0.926 199 H VAL 30 H VAL 30 9.224 -5.367 -0.036 200 HA VAL 30 HA VAL 30 7.299 -3.471 -1.231 201 HB VAL 30 HB VAL 30 5.660 -4.735 0.107 202 HG11 VAL 30 1HG1 VAL 30 7.219 -6.008 -2.129 203 HG12 VAL 30 2HG1 VAL 30 5.723 -6.726 -1.468 204 HG13 VAL 30 3HG1 VAL 30 5.681 -5.108 -2.161 205 HG21 VAL 30 3HG2 VAL 30 6.182 -6.898 0.964 206 HG22 VAL 30 1HG2 VAL 30 7.845 -6.810 0.343 207 HG23 VAL 30 2HG2 VAL 30 7.325 -5.734 1.674 208 H ARG 31 H ARG 31 5.641 -2.675 0.673 209 HA ARG 31 HA ARG 31 6.890 -2.379 3.212 210 HB2 ARG 31 2HB ARG 31 7.724 -0.397 1.435 211 HB3 ARG 31 3HB ARG 31 6.401 0.374 2.286 212 HG2 ARG 31 2HG ARG 31 8.469 0.889 3.410 213 HG3 ARG 31 3HG ARG 31 7.580 -0.235 4.463 214 HD2 ARG 31 2HD ARG 31 8.937 -2.105 3.674 215 HD3 ARG 31 3HD ARG 31 9.691 -1.090 2.427 216 HE ARG 31 HE ARG 31 10.265 0.077 4.911 217 HH11 ARG 31 2HH2 ARG 31 10.966 -2.851 2.975 218 HH12 ARG 31 1HH2 ARG 31 12.450 -3.183 3.680 219 HH21 ARG 31 2HH1 ARG 31 12.366 -0.353 5.907 220 HH22 ARG 31 1HH1 ARG 31 13.274 -1.740 5.411 221 H ARG 32 H ARG 32 5.436 -1.411 4.842 222 HA ARG 32 HA ARG 32 2.671 -1.403 3.853 223 HB2 ARG 32 2HB ARG 32 2.119 -1.725 6.312 224 HB3 ARG 32 3HB ARG 32 2.805 -3.111 5.496 225 HG2 ARG 32 2HG ARG 32 4.727 -1.289 6.942 226 HG3 ARG 32 3HG ARG 32 3.616 -2.260 7.905 227 HD2 ARG 32 2HD ARG 32 4.332 -4.276 6.520 228 HD3 ARG 32 3HD ARG 32 5.655 -3.315 5.896 229 HE ARG 32 HE ARG 32 5.103 -4.339 8.595 230 HH11 ARG 32 2HH2 ARG 32 7.407 -2.710 6.502 231 HH12 ARG 32 1HH2 ARG 32 8.691 -2.616 7.660 232 HH21 ARG 32 2HH1 ARG 32 6.749 -4.201 10.189 233 HH22 ARG 32 1HH1 ARG 32 8.306 -3.516 9.852 234 H LEU 33 H LEU 33 1.241 0.092 4.744 235 HA LEU 33 HA LEU 33 2.503 2.729 5.236 236 HB2 LEU 33 2HB LEU 33 -0.420 2.281 5.764 237 HB3 LEU 33 3HB LEU 33 0.448 3.714 5.247 238 HG LEU 33 HG LEU 33 0.863 2.315 3.094 239 HD11 LEU 33 1HD1 LEU 33 -1.420 0.899 4.427 240 HD12 LEU 33 2HD1 LEU 33 -1.563 1.197 2.695 241 HD13 LEU 33 3HD1 LEU 33 -0.189 0.270 3.316 242 HD21 LEU 33 3HD2 LEU 33 -0.225 4.470 3.162 243 HD22 LEU 33 1HD2 LEU 33 -1.110 3.383 2.083 244 HD23 LEU 33 2HD2 LEU 33 -1.745 3.717 3.716 245 HA PRO 34 HA PRO 34 2.742 1.926 9.591 246 HB2 PRO 34 2HB PRO 34 2.039 4.481 10.635 247 HB3 PRO 34 3HB PRO 34 3.658 3.858 10.230 248 HG2 PRO 34 2HG PRO 34 1.933 5.726 8.692 249 HG3 PRO 34 3HG PRO 34 3.700 5.530 8.642 250 HD2 PRO 34 2HD PRO 34 1.927 4.602 6.697 251 HD3 PRO 34 3HD PRO 34 3.577 3.968 6.952 252 H CYS 35 H CYS 35 -0.212 2.491 8.138 253 HA CYS 35 HA CYS 35 -2.177 2.498 10.259 254 HB2 CYS 35 2HB CYS 35 -2.773 3.049 8.016 255 HB3 CYS 35 3HB CYS 35 -2.091 1.529 7.424 256 H MET 36 H MET 36 -0.756 -0.205 8.352 257 HA MET 36 HA MET 36 -0.744 -2.402 9.801 258 HB2 MET 36 2HB MET 36 -2.768 -2.102 11.047 259 HB3 MET 36 3HB MET 36 -3.679 -1.612 9.603 260 HG2 MET 36 2HG MET 36 -3.490 -3.925 8.722 261 HG3 MET 36 3HG MET 36 -2.520 -4.370 10.122 262 HE1 MET 36 3HE MET 36 -5.962 -2.406 9.499 263 HE2 MET 36 1HE MET 36 -5.909 -3.892 8.518 264 HE3 MET 36 2HE MET 36 -7.065 -3.753 9.862 265 H HIS 37 H HIS 37 -2.683 -1.022 7.083 266 HA HIS 37 HA HIS 37 -2.618 -3.514 5.632 267 HB2 HIS 37 1HB HIS 37 -3.090 -0.703 4.636 268 HB3 HIS 37 2HB HIS 37 -3.446 -2.152 3.755 269 HD2 HIS 37 2HD HIS 37 -5.237 -3.848 4.646 270 HE1 HIS 37 1HE HIS 37 -7.508 -1.148 7.023 271 HE2 HIS 37 2HE HIS 37 -7.468 -3.492 5.975 272 H LEU 38 H LEU 38 -1.349 -4.104 3.809 273 HA LEU 38 HA LEU 38 1.239 -2.656 3.620 274 HB2 LEU 38 2HB LEU 38 1.412 -4.719 4.808 275 HB3 LEU 38 3HB LEU 38 0.696 -5.617 3.475 276 HG LEU 38 HG LEU 38 3.235 -4.044 3.109 277 HD11 LEU 38 1HD1 LEU 38 3.067 -6.916 4.113 278 HD12 LEU 38 2HD1 LEU 38 4.549 -6.030 3.692 279 HD13 LEU 38 3HD1 LEU 38 3.556 -5.532 5.076 280 HD21 LEU 38 3HD2 LEU 38 1.715 -5.648 1.327 281 HD22 LEU 38 1HD2 LEU 38 3.390 -5.108 1.101 282 HD23 LEU 38 2HD2 LEU 38 3.062 -6.674 1.812 283 H PHE 39 H PHE 39 2.397 -2.662 1.655 284 HA PHE 39 HA PHE 39 1.032 -3.481 -0.818 285 HB2 PHE 39 2HB PHE 39 1.395 -0.573 0.002 286 HB3 PHE 39 3HB PHE 39 1.294 -1.007 -1.694 287 HD1 PHE 39 2HD PHE 39 -0.651 -2.806 -2.229 288 HD2 PHE 39 1HD PHE 39 -0.643 -0.005 1.019 289 HE1 PHE 39 2HE PHE 39 -3.151 -2.966 -2.082 290 HE2 PHE 39 1HE PHE 39 -3.112 -0.168 1.170 291 HZ PHE 39 HZ PHE 39 -4.367 -1.573 -0.519 292 H HIS 40 H HIS 40 2.537 -2.159 -2.766 293 HA HIS 40 HA HIS 40 5.260 -3.154 -2.379 294 HB2 HIS 40 1HB HIS 40 4.108 -1.206 -4.393 295 HB3 HIS 40 2HB HIS 40 5.767 -1.696 -4.361 296 HD2 HIS 40 2HD HIS 40 6.344 -4.290 -4.980 297 HE1 HIS 40 1HE HIS 40 3.096 -4.446 -7.726 298 HE2 HIS 40 2HE HIS 40 5.297 -5.496 -7.068 299 H GLN 41 H GLN 41 7.111 -1.842 -1.928 300 HA GLN 41 HA GLN 41 6.763 0.433 -0.303 301 HB2 GLN 41 2HB GLN 41 8.865 -1.034 -0.438 302 HB3 GLN 41 3HB GLN 41 9.138 -0.404 -2.060 303 HG2 GLN 41 2HG GLN 41 9.160 1.953 -0.890 304 HG3 GLN 41 3HG GLN 41 9.422 1.030 0.591 305 HE21 GLN 41 1HE2 GLN 41 11.214 -0.992 -0.081 306 HE22 GLN 41 2HE2 GLN 41 12.611 -0.273 -0.861 307 H VAL 42 H VAL 42 7.787 0.135 -3.695 308 HA VAL 42 HA VAL 42 7.894 2.922 -4.133 309 HB VAL 42 HB VAL 42 8.498 0.704 -5.578 310 HG11 VAL 42 1HG1 VAL 42 7.413 0.749 -7.739 311 HG12 VAL 42 2HG1 VAL 42 6.205 0.427 -6.483 312 HG13 VAL 42 3HG1 VAL 42 6.325 2.045 -7.225 313 HG21 VAL 42 3HG2 VAL 42 9.645 2.864 -5.671 314 HG22 VAL 42 1HG2 VAL 42 9.305 2.288 -7.310 315 HG23 VAL 42 2HG2 VAL 42 8.298 3.568 -6.592 316 H CYS 43 H CYS 43 5.148 0.887 -3.835 317 HA CYS 43 HA CYS 43 3.233 2.752 -5.265 318 HB2 CYS 43 2HB CYS 43 2.904 0.315 -3.524 319 HB3 CYS 43 3HB CYS 43 1.603 1.356 -4.043 320 H VAL 44 H VAL 44 4.312 1.913 -1.871 321 HA VAL 44 HA VAL 44 2.234 3.379 -0.653 322 HB VAL 44 HB VAL 44 4.227 1.655 0.125 323 HG11 VAL 44 1HG1 VAL 44 5.650 2.683 1.763 324 HG12 VAL 44 2HG1 VAL 44 5.949 3.405 0.178 325 HG13 VAL 44 3HG1 VAL 44 5.006 4.296 1.396 326 HG21 VAL 44 3HG2 VAL 44 2.606 3.522 1.870 327 HG22 VAL 44 1HG2 VAL 44 2.079 1.963 1.174 328 HG23 VAL 44 2HG2 VAL 44 3.368 1.997 2.394 329 H ASP 45 H ASP 45 5.185 4.204 -2.153 330 HA ASP 45 HA ASP 45 5.475 6.923 -1.079 331 HB2 ASP 45 2HB ASP 45 7.479 5.897 -1.950 332 HB3 ASP 45 3HB ASP 45 6.697 5.497 -3.480 333 H GLN 46 H GLN 46 4.877 6.036 -4.536 334 HA GLN 46 HA GLN 46 3.877 8.554 -5.165 335 HB2 GLN 46 2HB GLN 46 3.190 5.878 -6.451 336 HB3 GLN 46 3HB GLN 46 2.781 7.459 -7.129 337 HG2 GLN 46 2HG GLN 46 5.521 7.698 -6.541 338 HG3 GLN 46 3HG GLN 46 5.367 6.040 -7.124 339 HE21 GLN 46 1HE2 GLN 46 5.051 9.478 -7.950 340 HE22 GLN 46 2HE2 GLN 46 4.843 9.208 -9.678 341 H TRP 47 H TRP 47 2.163 5.901 -3.665 342 HA TRP 47 HA TRP 47 -0.480 6.946 -3.965 343 HB2 TRP 47 2HB TRP 47 0.090 4.603 -3.333 344 HB3 TRP 47 3HB TRP 47 0.676 5.175 -1.764 345 HD1 TRP 47 HD1 TRP 47 -1.103 4.891 0.048 346 HE1 TRP 47 HE1 TRP 47 -3.676 4.872 0.150 347 HE3 TRP 47 HE3 TRP 47 -2.151 5.971 -4.846 348 HZ2 TRP 47 HZ2 TRP 47 -5.838 4.953 -1.696 349 HZ3 TRP 47 HZ3 TRP 47 -4.476 6.238 -5.586 350 HH2 TRP 47 HH2 TRP 47 -6.362 5.653 -4.057 351 H LEU 48 H LEU 48 1.840 7.134 -1.182 352 HA LEU 48 HA LEU 48 0.401 8.924 0.364 353 HB2 LEU 48 2HB LEU 48 3.245 8.114 0.019 354 HB3 LEU 48 3HB LEU 48 3.061 9.692 0.668 355 HG LEU 48 HG LEU 48 1.765 7.170 1.802 356 HD11 LEU 48 1HD1 LEU 48 4.107 8.852 2.788 357 HD12 LEU 48 2HD1 LEU 48 3.421 7.431 3.613 358 HD13 LEU 48 3HD1 LEU 48 4.220 7.242 2.040 359 HD21 LEU 48 3HD2 LEU 48 0.369 9.036 2.454 360 HD22 LEU 48 1HD2 LEU 48 1.390 8.660 3.835 361 HD23 LEU 48 2HD2 LEU 48 1.786 10.053 2.803 362 H ILE 49 H ILE 49 2.363 9.685 -2.603 363 HA ILE 49 HA ILE 49 2.121 12.481 -2.282 364 HB ILE 49 HB ILE 49 2.368 10.880 -4.823 365 HG12 ILE 49 2HG1 ILE 49 4.129 10.184 -3.376 366 HG13 ILE 49 3HG1 ILE 49 4.750 11.218 -4.623 367 HG21 ILE 49 1HG2 ILE 49 3.492 12.941 -5.650 368 HG22 ILE 49 2HG2 ILE 49 1.761 13.141 -5.323 369 HG23 ILE 49 3HG2 ILE 49 2.948 13.770 -4.168 370 HD11 ILE 49 3HD1 ILE 49 5.774 11.758 -2.487 371 HD12 ILE 49 1HD1 ILE 49 4.751 13.118 -3.008 372 HD13 ILE 49 2HD1 ILE 49 4.177 11.991 -1.752 373 H THR 50 H THR 50 -0.153 10.035 -3.771 374 HA THR 50 HA THR 50 -1.947 12.231 -4.554 375 HB THR 50 HB THR 50 -3.350 10.352 -5.413 376 HG1 THR 50 1HG THR 50 -2.482 8.305 -5.439 377 HG21 THR 50 1HG2 THR 50 -0.442 10.257 -6.340 378 HG22 THR 50 2HG2 THR 50 -1.865 9.760 -7.276 379 HG23 THR 50 3HG2 THR 50 -1.641 11.468 -6.851 380 H ASN 51 H ASN 51 -2.630 9.174 -2.808 381 HA ASN 51 HA ASN 51 -4.636 10.626 -1.164 382 HB2 ASN 51 2HB ASN 51 -4.104 7.763 -1.933 383 HB3 ASN 51 3HB ASN 51 -5.064 8.110 -0.499 384 HD21 ASN 51 1HD2 ASN 51 -7.174 7.616 -1.100 385 HD22 ASN 51 2HD2 ASN 51 -7.924 8.315 -2.531 386 H LYS 52 H LYS 52 -3.628 11.514 0.628 387 HA LYS 52 HA LYS 52 -1.598 10.036 2.125 388 HB2 LYS 52 2HB LYS 52 -3.214 12.483 2.959 389 HB3 LYS 52 3HB LYS 52 -1.719 11.887 3.707 390 HG2 LYS 52 2HG LYS 52 -0.532 12.238 1.525 391 HG3 LYS 52 3HG LYS 52 -2.018 12.957 0.867 392 HD2 LYS 52 2HD LYS 52 -1.904 14.580 2.882 393 HD3 LYS 52 3HD LYS 52 -0.227 14.005 3.070 394 HE2 LYS 52 2HE LYS 52 0.188 14.570 0.658 395 HE3 LYS 52 3HE LYS 52 -1.472 15.171 0.536 396 HZ1 LYS 52 3HZ LYS 52 0.027 16.990 0.924 397 HZ2 LYS 52 1HZ LYS 52 -0.905 16.800 2.275 398 HZ3 LYS 52 2HZ LYS 52 0.615 16.292 2.301 399 H LYS 53 H LYS 53 -4.027 8.441 1.773 400 HA LYS 53 HA LYS 53 -4.904 8.103 4.543 401 HB2 LYS 53 2HB LYS 53 -6.853 8.273 2.191 402 HB3 LYS 53 3HB LYS 53 -7.233 8.019 3.886 403 HG2 LYS 53 2HG LYS 53 -6.348 10.334 4.389 404 HG3 LYS 53 3HG LYS 53 -6.113 10.568 2.649 405 HD2 LYS 53 2HD LYS 53 -8.196 11.530 2.893 406 HD3 LYS 53 3HD LYS 53 -8.652 9.873 2.484 407 HE2 LYS 53 2HE LYS 53 -9.942 10.017 4.389 408 HE3 LYS 53 3HE LYS 53 -8.416 9.647 5.192 409 HZ1 LYS 53 3HZ LYS 53 -9.149 11.533 6.267 410 HZ2 LYS 53 1HZ LYS 53 -8.061 12.110 5.270 411 HZ3 LYS 53 2HZ LYS 53 -9.653 12.313 4.887 412 H CYS 54 H CYS 54 -5.824 5.966 4.771 413 HA CYS 54 HA CYS 54 -4.275 3.959 3.251 414 HB2 CYS 54 2HB CYS 54 -6.001 4.025 5.542 415 HB3 CYS 54 3HB CYS 54 -6.627 2.828 4.393 416 HA PRO 55 HA PRO 55 -7.211 3.828 -0.168 417 HB2 PRO 55 2HB PRO 55 -6.341 1.204 -0.958 418 HB3 PRO 55 3HB PRO 55 -5.986 2.727 -1.769 419 HG2 PRO 55 2HG PRO 55 -4.236 1.045 -0.321 420 HG3 PRO 55 3HG PRO 55 -3.858 2.656 -0.915 421 HD2 PRO 55 2HD PRO 55 -4.520 1.772 1.834 422 HD3 PRO 55 3HD PRO 55 -3.715 3.269 1.314 423 H ILE 56 H ILE 56 -6.632 1.068 2.089 424 HA ILE 56 HA ILE 56 -9.223 -0.105 1.549 425 HB ILE 56 HB ILE 56 -7.294 -0.715 3.821 426 HG12 ILE 56 2HG1 ILE 56 -6.940 -2.808 2.370 427 HG13 ILE 56 3HG1 ILE 56 -7.536 -1.853 1.014 428 HG21 ILE 56 1HG2 ILE 56 -9.605 -1.448 4.263 429 HG22 ILE 56 2HG2 ILE 56 -9.695 -2.174 2.645 430 HG23 ILE 56 3HG2 ILE 56 -8.606 -2.851 3.867 431 HD11 ILE 56 3HD1 ILE 56 -4.962 -2.013 1.588 432 HD12 ILE 56 1HD1 ILE 56 -5.639 -0.453 1.060 433 HD13 ILE 56 2HD1 ILE 56 -5.316 -0.759 2.781 434 H CYS 57 H CYS 57 -7.871 0.976 4.715 435 HA CYS 57 HA CYS 57 -10.532 1.260 5.785 436 HB2 CYS 57 2HB CYS 57 -9.361 1.944 7.800 437 HB3 CYS 57 3HB CYS 57 -8.815 0.435 7.168 438 H ARG 58 H ARG 58 -8.690 3.495 3.881 439 HA ARG 58 HA ARG 58 -9.409 5.395 2.973 440 HB2 ARG 58 2HB ARG 58 -11.632 3.937 3.502 441 HB3 ARG 58 3HB ARG 58 -12.032 5.392 4.410 442 HG2 ARG 58 2HG ARG 58 -11.248 5.246 1.454 443 HG3 ARG 58 3HG ARG 58 -12.899 5.326 2.091 444 HD2 ARG 58 2HD ARG 58 -12.164 7.483 3.280 445 HD3 ARG 58 3HD ARG 58 -10.740 7.441 2.218 446 HE ARG 58 HE ARG 58 -13.147 7.086 0.700 447 HH11 ARG 58 2HH2 ARG 58 -11.359 9.550 2.403 448 HH12 ARG 58 1HH2 ARG 58 -12.038 10.911 1.556 449 HH21 ARG 58 2HH1 ARG 58 -14.165 8.850 -0.431 450 HH22 ARG 58 1HH1 ARG 58 -13.702 10.477 -0.104 451 H VAL 59 H VAL 59 -8.411 5.301 5.963 452 HA VAL 59 HA VAL 59 -9.144 8.094 6.700 453 HB VAL 59 HB VAL 59 -8.790 7.586 8.897 454 HG11 VAL 59 1HG1 VAL 59 -9.780 4.927 7.894 455 HG12 VAL 59 2HG1 VAL 59 -10.297 5.779 9.363 456 HG13 VAL 59 3HG1 VAL 59 -10.769 6.408 7.761 457 HG21 VAL 59 3HG2 VAL 59 -7.311 5.060 8.109 458 HG22 VAL 59 1HG2 VAL 59 -6.690 6.487 8.983 459 HG23 VAL 59 2HG2 VAL 59 -7.854 5.417 9.766 460 H ASP 60 H ASP 60 -7.421 9.463 7.702 461 HA ASP 60 HA ASP 60 -5.002 9.176 6.210 462 HB2 ASP 60 2HB ASP 60 -5.363 10.962 8.671 463 HB3 ASP 60 3HB ASP 60 -4.400 11.240 7.239 464 H ILE 61 H ILE 61 -3.373 7.846 6.827 465 HA ILE 61 HA ILE 61 -3.382 6.258 8.966 466 HB ILE 61 HB ILE 61 -0.878 7.310 7.636 467 HG12 ILE 61 2HG1 ILE 61 -1.600 4.881 6.463 468 HG13 ILE 61 3HG1 ILE 61 -3.161 5.641 6.661 469 HG21 ILE 61 1HG2 ILE 61 -1.617 4.787 9.147 470 HG22 ILE 61 2HG2 ILE 61 -0.135 4.955 8.171 471 HG23 ILE 61 3HG2 ILE 61 -0.392 5.983 9.596 472 HD11 ILE 61 3HD1 ILE 61 -2.267 6.240 4.494 473 HD12 ILE 61 1HD1 ILE 61 -2.157 7.699 5.500 474 HD13 ILE 61 2HD1 ILE 61 -0.710 6.724 5.210 475 H GLU 62 H GLU 62 -2.156 9.553 8.878 476 HA GLU 62 HA GLU 62 -2.655 10.194 11.400 477 HB2 GLU 62 2HB GLU 62 -0.147 8.697 11.460 478 HB3 GLU 62 3HB GLU 62 0.155 10.378 11.900 479 HG2 GLU 62 2HG GLU 62 -1.736 10.305 13.512 480 HG3 GLU 62 3HG GLU 62 -1.955 8.592 13.167 481 H ALA 63 H ALA 63 -3.312 12.006 10.314 482 HA ALA 63 HA ALA 63 -3.247 13.915 9.083 483 HB1 ALA 63 1HB ALA 63 -0.736 14.310 10.756 484 HB2 ALA 63 2HB ALA 63 -1.701 15.598 9.982 485 HB3 ALA 63 3HB ALA 63 -2.401 14.613 11.277 486 H GLN 64 H GLN 64 -0.050 14.813 8.836 487 HA GLN 64 HA GLN 64 0.629 13.228 6.510 488 HB2 GLN 64 2HB GLN 64 1.027 15.158 5.050 489 HB3 GLN 64 3HB GLN 64 -0.687 15.041 5.468 490 HG2 GLN 64 2HG GLN 64 -0.391 16.832 7.175 491 HG3 GLN 64 3HG GLN 64 1.326 16.948 6.749 492 HE21 GLN 64 1HE2 GLN 64 0.417 19.302 6.478 493 HE22 GLN 64 2HE2 GLN 64 -0.103 19.685 4.849 494 H LEU 65 H LEU 65 2.980 13.342 6.172 495 HA LEU 65 HA LEU 65 4.484 15.076 7.979 496 HB2 LEU 65 2HB LEU 65 5.827 13.200 8.839 497 HB3 LEU 65 3HB LEU 65 4.166 13.134 9.392 498 HG LEU 65 HG LEU 65 4.557 11.582 6.900 499 HD11 LEU 65 1HD1 LEU 65 6.121 10.766 9.381 500 HD12 LEU 65 2HD1 LEU 65 5.869 9.775 7.926 501 HD13 LEU 65 3HD1 LEU 65 6.815 11.268 7.820 502 HD21 LEU 65 3HD2 LEU 65 3.607 10.797 9.686 503 HD22 LEU 65 1HD2 LEU 65 2.569 11.419 8.388 504 HD23 LEU 65 2HD2 LEU 65 3.395 9.863 8.190 505 HA PRO 66 HA PRO 66 6.985 14.913 4.320 506 HB2 PRO 66 2HB PRO 66 9.312 16.048 5.163 507 HB3 PRO 66 3HB PRO 66 7.785 16.988 5.184 508 HG2 PRO 66 2HG PRO 66 9.057 15.463 7.489 509 HG3 PRO 66 3HG PRO 66 8.499 17.169 7.477 510 HD2 PRO 66 2HD PRO 66 6.935 15.128 8.412 511 HD3 PRO 66 3HD PRO 66 6.231 16.521 7.534 512 H SER 67 H SER 67 8.948 14.051 3.400 513 HA SER 67 HA SER 67 10.490 12.096 4.890 514 HB2 SER 67 2HB SER 67 8.370 10.919 4.229 515 HB3 SER 67 3HB SER 67 8.687 11.334 2.542 516 HG SER 67 HG SER 67 10.500 10.014 2.570 517 H GLU 68 H GLU 68 12.441 11.692 3.645 518 HA GLU 68 HA GLU 68 12.861 13.384 1.249 519 HB2 GLU 68 2HB GLU 68 14.603 11.615 2.983 520 HB3 GLU 68 3HB GLU 68 15.092 11.976 1.314 521 HG2 GLU 68 2HG GLU 68 15.040 14.352 1.699 522 HG3 GLU 68 3HG GLU 68 14.279 14.150 3.281 523 H SER 69 H SER 69 13.634 12.158 -0.740 524 HA SER 69 HA SER 69 11.852 9.835 -1.218 525 HB2 SER 69 2HB SER 69 12.213 10.612 -3.618 526 HB3 SER 69 3HB SER 69 11.320 11.763 -2.597 527 HG SER 69 HG SER 69 14.124 11.816 -2.970 Start of MODEL 7 1 H1 MET 1 H1 MET 1 10.202 -32.506 -7.401 2 H2 MET 1 H2 MET 1 10.752 -31.493 -8.587 3 H3 MET 1 H3 MET 1 10.862 -31.058 -6.995 4 HA MET 1 HA MET 1 9.042 -29.873 -7.984 5 HB2 MET 1 2HB MET 1 8.601 -32.554 -9.134 6 HB3 MET 1 3HB MET 1 7.132 -31.888 -8.436 7 HG2 MET 1 2HG MET 1 8.686 -29.966 -10.097 8 HG3 MET 1 3HG MET 1 8.048 -31.371 -10.954 9 HE1 MET 1 3HE MET 1 5.252 -29.186 -12.190 10 HE2 MET 1 1HE MET 1 6.982 -28.774 -12.134 11 HE3 MET 1 2HE MET 1 6.471 -30.434 -12.523 12 H LYS 2 H LYS 2 8.164 -29.064 -6.090 13 HA LYS 2 HA LYS 2 6.248 -30.662 -4.815 14 HB2 LYS 2 2HB LYS 2 6.904 -30.514 -2.523 15 HB3 LYS 2 3HB LYS 2 8.109 -31.447 -3.377 16 HG2 LYS 2 2HG LYS 2 8.654 -28.491 -2.984 17 HG3 LYS 2 3HG LYS 2 8.666 -29.544 -1.574 18 HD2 LYS 2 2HD LYS 2 10.317 -31.046 -2.763 19 HD3 LYS 2 3HD LYS 2 10.384 -29.845 -4.063 20 HE2 LYS 2 2HE LYS 2 12.258 -29.523 -2.541 21 HE3 LYS 2 3HE LYS 2 11.170 -28.132 -2.450 22 HZ1 LYS 2 3HZ LYS 2 11.931 -28.931 -0.278 23 HZ2 LYS 2 1HZ LYS 2 10.296 -28.986 -0.405 24 HZ3 LYS 2 2HZ LYS 2 11.177 -30.372 -0.520 25 H GLN 3 H GLN 3 5.057 -29.160 -3.126 26 HA GLN 3 HA GLN 3 5.686 -26.352 -3.419 27 HB2 GLN 3 2HB GLN 3 4.012 -27.341 -5.334 28 HB3 GLN 3 3HB GLN 3 2.826 -27.079 -4.066 29 HG2 GLN 3 2HG GLN 3 2.865 -24.818 -4.383 30 HG3 GLN 3 3HG GLN 3 4.627 -24.756 -4.385 31 HE21 GLN 3 1HE2 GLN 3 1.789 -24.700 -6.442 32 HE22 GLN 3 2HE2 GLN 3 2.707 -24.708 -7.943 33 H ASP 4 H ASP 4 4.234 -25.110 -1.789 34 HA ASP 4 HA ASP 4 2.812 -26.727 0.135 35 HB2 ASP 4 2HB ASP 4 5.407 -26.793 0.667 36 HB3 ASP 4 3HB ASP 4 5.165 -25.129 1.205 37 H GLY 5 H GLY 5 2.233 -24.942 2.025 38 HA2 GLY 5 2HA GLY 5 1.772 -22.300 0.709 39 HA3 GLY 5 3HA GLY 5 0.507 -23.132 1.639 40 H GLU 6 H GLU 6 0.939 -20.783 2.713 41 HA GLU 6 HA GLU 6 2.185 -21.454 5.195 42 HB2 GLU 6 2HB GLU 6 3.691 -19.826 3.401 43 HB3 GLU 6 3HB GLU 6 2.932 -18.696 4.531 44 HG2 GLU 6 2HG GLU 6 3.747 -20.206 6.421 45 HG3 GLU 6 3HG GLU 6 4.669 -21.106 5.210 46 H GLU 7 H GLU 7 1.433 -19.649 6.857 47 HA GLU 7 HA GLU 7 -0.866 -18.126 5.923 48 HB2 GLU 7 2HB GLU 7 -1.600 -20.602 6.512 49 HB3 GLU 7 3HB GLU 7 -1.266 -20.132 8.179 50 HG2 GLU 7 2HG GLU 7 -3.585 -19.744 7.859 51 HG3 GLU 7 3HG GLU 7 -2.848 -18.141 7.799 52 H GLY 8 H GLY 8 -1.158 -16.333 7.373 53 HA2 GLY 8 2HA GLY 8 -0.028 -16.435 10.047 54 HA3 GLY 8 3HA GLY 8 0.830 -15.343 8.932 55 H THR 9 H THR 9 -0.961 -14.722 11.320 56 HA THR 9 HA THR 9 -2.767 -12.897 9.894 57 HB THR 9 HB THR 9 -4.314 -14.396 10.701 58 HG1 THR 9 1HG THR 9 -3.998 -12.440 12.726 59 HG21 THR 9 1HG2 THR 9 -2.750 -14.523 13.293 60 HG22 THR 9 2HG2 THR 9 -4.356 -15.241 13.029 61 HG23 THR 9 3HG2 THR 9 -2.967 -15.811 12.084 62 H GLU 10 H GLU 10 -1.968 -10.875 10.218 63 HA GLU 10 HA GLU 10 -0.710 -10.219 12.796 64 HB2 GLU 10 2HB GLU 10 0.470 -9.862 10.004 65 HB3 GLU 10 3HB GLU 10 1.040 -8.937 11.389 66 HG2 GLU 10 2HG GLU 10 1.100 -11.976 11.182 67 HG3 GLU 10 3HG GLU 10 2.461 -10.894 10.908 68 H GLU 11 H GLU 11 -0.172 -7.523 12.174 69 HA GLU 11 HA GLU 11 -2.929 -6.592 12.115 70 HB2 GLU 11 2HB GLU 11 -2.206 -4.603 12.891 71 HB3 GLU 11 3HB GLU 11 -1.071 -5.701 13.653 72 HG2 GLU 11 2HG GLU 11 -0.474 -3.974 11.193 73 HG3 GLU 11 3HG GLU 11 -0.116 -3.537 12.857 74 H ASP 12 H ASP 12 -0.153 -6.605 10.030 75 HA ASP 12 HA ASP 12 -1.461 -4.952 8.023 76 HB2 ASP 12 2HB ASP 12 0.416 -5.012 6.797 77 HB3 ASP 12 3HB ASP 12 1.101 -5.293 8.395 78 H THR 13 H THR 13 -2.531 -5.573 6.234 79 HA THR 13 HA THR 13 -3.405 -8.409 6.028 80 HB THR 13 HB THR 13 -5.152 -6.732 6.510 81 HG1 THR 13 1HG THR 13 -5.301 -7.994 3.984 82 HG21 THR 13 1HG2 THR 13 -3.993 -5.006 4.860 83 HG22 THR 13 2HG2 THR 13 -5.035 -5.763 3.661 84 HG23 THR 13 3HG2 THR 13 -5.775 -5.022 5.074 85 H GLU 14 H GLU 14 -0.912 -8.127 5.050 86 HA GLU 14 HA GLU 14 -0.522 -7.067 2.588 87 HB2 GLU 14 2HB GLU 14 1.357 -8.055 3.672 88 HB3 GLU 14 3HB GLU 14 0.547 -9.603 3.913 89 HG2 GLU 14 2HG GLU 14 0.833 -10.228 1.614 90 HG3 GLU 14 3HG GLU 14 1.295 -8.598 1.142 91 H GLU 15 H GLU 15 -1.525 -7.376 0.589 92 HA GLU 15 HA GLU 15 -2.228 -9.983 -0.351 93 HB2 GLU 15 2HB GLU 15 -4.183 -8.987 1.222 94 HB3 GLU 15 3HB GLU 15 -4.581 -8.107 -0.253 95 HG2 GLU 15 2HG GLU 15 -4.705 -10.351 -1.451 96 HG3 GLU 15 3HG GLU 15 -4.273 -11.141 0.056 97 H LYS 16 H LYS 16 -3.832 -9.143 -2.441 98 HA LYS 16 HA LYS 16 -2.066 -8.210 -4.307 99 HB2 LYS 16 2HB LYS 16 -4.001 -7.806 -5.783 100 HB3 LYS 16 3HB LYS 16 -4.069 -9.364 -4.930 101 HG2 LYS 16 2HG LYS 16 -5.574 -8.372 -3.247 102 HG3 LYS 16 3HG LYS 16 -5.534 -6.834 -4.132 103 HD2 LYS 16 2HD LYS 16 -6.493 -7.936 -6.121 104 HD3 LYS 16 3HD LYS 16 -6.518 -9.494 -5.255 105 HE2 LYS 16 2HE LYS 16 -8.039 -8.554 -3.559 106 HE3 LYS 16 3HE LYS 16 -7.980 -6.973 -4.354 107 HZ1 LYS 16 3HZ LYS 16 -9.948 -8.189 -4.972 108 HZ2 LYS 16 1HZ LYS 16 -8.992 -7.981 -6.296 109 HZ3 LYS 16 2HZ LYS 16 -9.059 -9.448 -5.546 110 H CYS 17 H CYS 17 -1.509 -6.197 -5.300 111 HA CYS 17 HA CYS 17 -1.673 -3.931 -3.597 112 HB2 CYS 17 2HB CYS 17 0.177 -4.558 -5.219 113 HB3 CYS 17 3HB CYS 17 -0.894 -3.962 -6.492 114 H THR 18 H THR 18 -2.932 -2.150 -3.918 115 HA THR 18 HA THR 18 -5.251 -2.478 -5.787 116 HB THR 18 HB THR 18 -5.309 -2.513 -3.057 117 HG1 THR 18 1HG THR 18 -6.905 -3.252 -4.390 118 HG21 THR 18 1HG2 THR 18 -6.504 -0.512 -2.371 119 HG22 THR 18 2HG2 THR 18 -4.852 -0.110 -2.912 120 HG23 THR 18 3HG2 THR 18 -6.256 0.216 -3.971 121 H ILE 19 H ILE 19 -2.633 -0.381 -4.724 122 HA ILE 19 HA ILE 19 -3.575 1.912 -6.177 123 HB ILE 19 HB ILE 19 -0.860 0.985 -5.117 124 HG12 ILE 19 2HG1 ILE 19 -1.547 3.241 -3.736 125 HG13 ILE 19 3HG1 ILE 19 -3.152 2.613 -4.027 126 HG21 ILE 19 1HG2 ILE 19 -0.098 3.295 -5.496 127 HG22 ILE 19 2HG2 ILE 19 -0.477 2.450 -7.004 128 HG23 ILE 19 3HG2 ILE 19 -1.626 3.645 -6.351 129 HD11 ILE 19 3HD1 ILE 19 -2.575 0.538 -2.862 130 HD12 ILE 19 1HD1 ILE 19 -0.858 1.015 -2.791 131 HD13 ILE 19 2HD1 ILE 19 -2.067 1.913 -1.867 132 H CYS 20 H CYS 20 -1.593 -0.996 -6.858 133 HA CYS 20 HA CYS 20 -1.178 -0.158 -9.684 134 HB2 CYS 20 2HB CYS 20 -0.581 -2.755 -8.325 135 HB3 CYS 20 3HB CYS 20 -0.103 -2.275 -9.946 136 H LEU 21 H LEU 21 -3.978 -1.006 -8.168 137 HA LEU 21 HA LEU 21 -5.683 -2.501 -8.497 138 HB2 LEU 21 2HB LEU 21 -5.257 -1.037 -10.996 139 HB3 LEU 21 3HB LEU 21 -6.379 -2.390 -11.014 140 HG LEU 21 HG LEU 21 -7.192 -1.218 -8.701 141 HD11 LEU 21 1HD1 LEU 21 -6.439 1.043 -10.593 142 HD12 LEU 21 2HD1 LEU 21 -7.378 1.183 -9.086 143 HD13 LEU 21 3HD1 LEU 21 -5.675 0.678 -9.023 144 HD21 LEU 21 3HD2 LEU 21 -8.588 -2.045 -10.497 145 HD22 LEU 21 1HD2 LEU 21 -9.092 -0.411 -10.028 146 HD23 LEU 21 2HD2 LEU 21 -8.155 -0.656 -11.525 147 H SER 22 H SER 22 -3.423 -4.099 -8.234 148 HA SER 22 HA SER 22 -4.290 -6.469 -9.574 149 HB2 SER 22 2HB SER 22 -2.184 -6.861 -10.932 150 HB3 SER 22 3HB SER 22 -3.276 -5.633 -11.581 151 HG SER 22 HG SER 22 -1.952 -4.046 -10.841 152 H ILE 23 H ILE 23 -2.731 -8.374 -9.149 153 HA ILE 23 HA ILE 23 -1.955 -8.532 -6.501 154 HB ILE 23 HB ILE 23 -0.700 -10.525 -7.210 155 HG12 ILE 23 2HG1 ILE 23 -1.486 -11.306 -9.584 156 HG13 ILE 23 3HG1 ILE 23 -1.471 -9.606 -10.012 157 HG21 ILE 23 1HG2 ILE 23 -3.569 -10.274 -8.155 158 HG22 ILE 23 2HG2 ILE 23 -2.699 -11.780 -7.773 159 HG23 ILE 23 3HG2 ILE 23 -3.006 -10.607 -6.496 160 HD11 ILE 23 3HD1 ILE 23 0.669 -10.729 -10.510 161 HD12 ILE 23 1HD1 ILE 23 0.881 -9.446 -9.302 162 HD13 ILE 23 2HD1 ILE 23 0.837 -11.149 -8.785 163 H LEU 24 H LEU 24 0.110 -8.632 -5.454 164 HA LEU 24 HA LEU 24 1.798 -6.497 -6.154 165 HB2 LEU 24 2HB LEU 24 1.738 -8.754 -4.148 166 HB3 LEU 24 3HB LEU 24 3.291 -7.999 -4.448 167 HG LEU 24 HG LEU 24 0.789 -6.474 -3.741 168 HD11 LEU 24 1HD1 LEU 24 1.797 -6.242 -1.459 169 HD12 LEU 24 2HD1 LEU 24 1.467 -7.934 -1.848 170 HD13 LEU 24 3HD1 LEU 24 3.127 -7.312 -1.952 171 HD21 LEU 24 3HD2 LEU 24 2.415 -4.673 -3.150 172 HD22 LEU 24 1HD2 LEU 24 3.715 -5.674 -3.845 173 HD23 LEU 24 2HD2 LEU 24 2.395 -5.064 -4.865 174 H GLU 25 H GLU 25 3.541 -6.390 -7.287 175 HA GLU 25 HA GLU 25 4.401 -8.669 -8.911 176 HB2 GLU 25 2HB GLU 25 5.583 -5.950 -8.806 177 HB3 GLU 25 3HB GLU 25 5.847 -7.186 -10.036 178 HG2 GLU 25 2HG GLU 25 3.385 -7.116 -10.547 179 HG3 GLU 25 3HG GLU 25 3.193 -5.794 -9.397 180 H GLU 26 H GLU 26 5.008 -10.080 -7.260 181 HA GLU 26 HA GLU 26 6.930 -9.587 -5.262 182 HB2 GLU 26 2HB GLU 26 5.347 -11.740 -6.149 183 HB3 GLU 26 3HB GLU 26 6.996 -12.323 -6.376 184 HG2 GLU 26 2HG GLU 26 7.525 -11.776 -4.027 185 HG3 GLU 26 3HG GLU 26 5.900 -11.108 -3.804 186 H GLY 27 H GLY 27 9.018 -8.896 -5.591 187 HA2 GLY 27 2HA GLY 27 10.905 -10.151 -7.277 188 HA3 GLY 27 3HA GLY 27 10.138 -8.850 -8.208 189 H GLU 28 H GLU 28 9.705 -6.850 -6.296 190 HA GLU 28 HA GLU 28 12.451 -6.254 -5.405 191 HB2 GLU 28 2HB GLU 28 10.978 -4.858 -7.202 192 HB3 GLU 28 3HB GLU 28 10.369 -4.094 -5.740 193 HG2 GLU 28 2HG GLU 28 12.321 -2.978 -5.399 194 HG3 GLU 28 3HG GLU 28 13.314 -4.388 -5.759 195 H ASP 29 H ASP 29 11.907 -4.223 -3.787 196 HA ASP 29 HA ASP 29 11.025 -5.735 -1.427 197 HB2 ASP 29 2HB ASP 29 12.905 -3.611 -1.884 198 HB3 ASP 29 3HB ASP 29 11.683 -2.983 -0.779 199 H VAL 30 H VAL 30 9.162 -5.458 -0.294 200 HA VAL 30 HA VAL 30 7.211 -3.520 -1.368 201 HB VAL 30 HB VAL 30 5.605 -4.801 -0.013 202 HG11 VAL 30 1HG1 VAL 30 5.517 -6.688 -1.646 203 HG12 VAL 30 2HG1 VAL 30 5.656 -5.067 -2.334 204 HG13 VAL 30 3HG1 VAL 30 7.085 -6.128 -2.288 205 HG21 VAL 30 3HG2 VAL 30 6.134 -7.000 0.761 206 HG22 VAL 30 1HG2 VAL 30 7.782 -6.896 0.109 207 HG23 VAL 30 2HG2 VAL 30 7.293 -5.860 1.481 208 H ARG 31 H ARG 31 5.663 -2.749 0.588 209 HA ARG 31 HA ARG 31 6.947 -2.447 3.107 210 HB2 ARG 31 2HB ARG 31 7.719 -0.464 1.288 211 HB3 ARG 31 3HB ARG 31 6.444 0.309 2.199 212 HG2 ARG 31 2HG ARG 31 8.573 0.802 3.244 213 HG3 ARG 31 3HG ARG 31 7.731 -0.341 4.327 214 HD2 ARG 31 2HD ARG 31 8.997 -2.203 3.430 215 HD3 ARG 31 3HD ARG 31 9.627 -1.185 2.106 216 HE ARG 31 HE ARG 31 10.519 -0.167 4.606 217 HH11 ARG 31 2HH2 ARG 31 10.801 -2.826 2.284 218 HH12 ARG 31 1HH2 ARG 31 12.459 -3.127 2.511 219 HH21 ARG 31 2HH1 ARG 31 12.826 -0.637 5.079 220 HH22 ARG 31 1HH1 ARG 31 13.611 -1.920 4.213 221 H ARG 32 H ARG 32 5.533 -1.686 4.737 222 HA ARG 32 HA ARG 32 2.750 -1.553 3.833 223 HB2 ARG 32 2HB ARG 32 2.212 -2.253 6.136 224 HB3 ARG 32 3HB ARG 32 3.400 -3.335 5.423 225 HG2 ARG 32 2HG ARG 32 5.133 -1.718 6.663 226 HG3 ARG 32 3HG ARG 32 3.709 -1.324 7.644 227 HD2 ARG 32 2HD ARG 32 3.371 -3.777 8.043 228 HD3 ARG 32 3HD ARG 32 4.784 -4.122 7.059 229 HE ARG 32 HE ARG 32 6.231 -3.236 8.658 230 HH11 ARG 32 2HH2 ARG 32 2.865 -3.257 9.794 231 HH12 ARG 32 1HH2 ARG 32 3.269 -3.248 11.444 232 HH21 ARG 32 2HH1 ARG 32 6.774 -2.866 10.891 233 HH22 ARG 32 1HH1 ARG 32 5.505 -2.778 12.068 234 H LEU 33 H LEU 33 1.258 -0.061 4.740 235 HA LEU 33 HA LEU 33 2.570 2.562 4.933 236 HB2 LEU 33 2HB LEU 33 -0.298 2.609 5.528 237 HB3 LEU 33 3HB LEU 33 0.698 3.578 4.461 238 HG LEU 33 HG LEU 33 0.657 1.408 2.994 239 HD11 LEU 33 1HD1 LEU 33 -1.086 -0.077 3.386 240 HD12 LEU 33 2HD1 LEU 33 -0.913 0.518 5.035 241 HD13 LEU 33 3HD1 LEU 33 -2.161 1.208 3.989 242 HD21 LEU 33 3HD2 LEU 33 -1.259 2.378 1.771 243 HD22 LEU 33 1HD2 LEU 33 -1.599 3.420 3.182 244 HD23 LEU 33 2HD2 LEU 33 -0.072 3.596 2.286 245 HA PRO 34 HA PRO 34 2.787 2.373 9.300 246 HB2 PRO 34 2HB PRO 34 1.815 5.071 9.849 247 HB3 PRO 34 3HB PRO 34 3.462 4.422 9.957 248 HG2 PRO 34 2HG PRO 34 2.515 6.210 7.957 249 HG3 PRO 34 3HG PRO 34 4.038 5.283 7.925 250 HD2 PRO 34 2HD PRO 34 1.530 4.781 6.441 251 HD3 PRO 34 3HD PRO 34 3.189 4.202 6.119 252 H CYS 35 H CYS 35 -0.304 2.896 7.781 253 HA CYS 35 HA CYS 35 -1.951 3.177 10.145 254 HB2 CYS 35 2HB CYS 35 -3.761 2.691 8.799 255 HB3 CYS 35 3HB CYS 35 -2.691 3.672 7.798 256 H MET 36 H MET 36 -0.596 0.396 8.446 257 HA MET 36 HA MET 36 -0.254 -1.514 10.212 258 HB2 MET 36 2HB MET 36 -3.238 -1.239 9.779 259 HB3 MET 36 3HB MET 36 -2.521 -2.830 9.890 260 HG2 MET 36 2HG MET 36 -1.927 -2.617 12.099 261 HG3 MET 36 3HG MET 36 -1.666 -0.906 11.999 262 HE1 MET 36 3HE MET 36 -2.843 0.391 13.641 263 HE2 MET 36 1HE MET 36 -4.128 -0.309 14.653 264 HE3 MET 36 2HE MET 36 -2.564 -1.145 14.491 265 H HIS 37 H HIS 37 -2.452 -1.222 7.422 266 HA HIS 37 HA HIS 37 -1.974 -3.745 6.396 267 HB2 HIS 37 1HB HIS 37 -3.023 -1.279 4.993 268 HB3 HIS 37 2HB HIS 37 -3.379 -2.921 4.555 269 HD2 HIS 37 2HD HIS 37 -4.372 -4.403 6.936 270 HE1 HIS 37 1HE HIS 37 -6.793 -1.176 8.207 271 HE2 HIS 37 2HE HIS 37 -6.403 -3.700 8.370 272 H LEU 38 H LEU 38 -1.051 -4.436 4.136 273 HA LEU 38 HA LEU 38 1.451 -2.898 3.823 274 HB2 LEU 38 2HB LEU 38 1.789 -4.961 4.863 275 HB3 LEU 38 3HB LEU 38 0.951 -5.828 3.586 276 HG LEU 38 HG LEU 38 3.418 -4.211 2.976 277 HD11 LEU 38 1HD1 LEU 38 3.383 -7.036 4.097 278 HD12 LEU 38 2HD1 LEU 38 4.805 -6.202 3.461 279 HD13 LEU 38 3HD1 LEU 38 4.007 -5.603 4.928 280 HD21 LEU 38 3HD2 LEU 38 2.473 -5.172 0.944 281 HD22 LEU 38 1HD2 LEU 38 3.745 -6.281 1.409 282 HD23 LEU 38 2HD2 LEU 38 2.072 -6.663 1.785 283 H PHE 39 H PHE 39 2.477 -2.790 1.740 284 HA PHE 39 HA PHE 39 0.940 -3.496 -0.616 285 HB2 PHE 39 2HB PHE 39 1.198 -0.626 0.339 286 HB3 PHE 39 3HB PHE 39 1.173 -0.939 -1.382 287 HD1 PHE 39 2HD PHE 39 -0.640 -2.808 -2.090 288 HD2 PHE 39 1HD PHE 39 -0.942 -0.138 1.246 289 HE1 PHE 39 2HE PHE 39 -3.131 -3.100 -2.083 290 HE2 PHE 39 1HE PHE 39 -3.416 -0.423 1.257 291 HZ PHE 39 HZ PHE 39 -4.504 -1.797 -0.547 292 H HIS 40 H HIS 40 2.302 -2.101 -2.531 293 HA HIS 40 HA HIS 40 5.035 -3.143 -2.504 294 HB2 HIS 40 1HB HIS 40 3.314 -1.428 -4.219 295 HB3 HIS 40 2HB HIS 40 5.046 -1.177 -4.391 296 HD2 HIS 40 2HD HIS 40 6.225 -3.969 -4.840 297 HE1 HIS 40 1HE HIS 40 3.478 -3.999 -8.094 298 HE2 HIS 40 2HE HIS 40 5.640 -5.029 -7.136 299 H GLN 41 H GLN 41 6.957 -1.898 -2.061 300 HA GLN 41 HA GLN 41 6.717 0.380 -0.398 301 HB2 GLN 41 2HB GLN 41 8.808 -1.112 -0.572 302 HB3 GLN 41 3HB GLN 41 9.093 -0.437 -2.170 303 HG2 GLN 41 2HG GLN 41 9.109 1.894 -1.065 304 HG3 GLN 41 3HG GLN 41 9.074 1.077 0.491 305 HE21 GLN 41 1HE2 GLN 41 11.109 2.394 -1.875 306 HE22 GLN 41 2HE2 GLN 41 12.561 1.529 -1.402 307 H VAL 42 H VAL 42 7.686 0.078 -3.804 308 HA VAL 42 HA VAL 42 7.887 2.861 -4.216 309 HB VAL 42 HB VAL 42 8.478 0.702 -5.663 310 HG11 VAL 42 1HG1 VAL 42 6.069 1.730 -7.197 311 HG12 VAL 42 2HG1 VAL 42 7.220 0.488 -7.708 312 HG13 VAL 42 3HG1 VAL 42 6.154 0.174 -6.330 313 HG21 VAL 42 3HG2 VAL 42 9.005 2.216 -7.557 314 HG22 VAL 42 1HG2 VAL 42 7.944 3.457 -6.848 315 HG23 VAL 42 2HG2 VAL 42 9.418 2.946 -5.996 316 H CYS 43 H CYS 43 5.094 0.894 -3.926 317 HA CYS 43 HA CYS 43 3.223 2.841 -5.289 318 HB2 CYS 43 2HB CYS 43 2.817 0.423 -3.578 319 HB3 CYS 43 3HB CYS 43 1.552 1.488 -4.122 320 H VAL 44 H VAL 44 4.287 1.929 -1.888 321 HA VAL 44 HA VAL 44 2.240 3.429 -0.670 322 HB VAL 44 HB VAL 44 4.208 1.688 0.113 323 HG11 VAL 44 1HG1 VAL 44 5.050 4.323 1.355 324 HG12 VAL 44 2HG1 VAL 44 5.667 2.700 1.729 325 HG13 VAL 44 3HG1 VAL 44 5.961 3.401 0.132 326 HG21 VAL 44 3HG2 VAL 44 3.367 2.042 2.384 327 HG22 VAL 44 1HG2 VAL 44 2.636 3.589 1.875 328 HG23 VAL 44 2HG2 VAL 44 2.064 2.049 1.178 329 H ASP 45 H ASP 45 5.199 4.220 -2.189 330 HA ASP 45 HA ASP 45 5.510 6.926 -1.097 331 HB2 ASP 45 2HB ASP 45 7.476 5.757 -1.936 332 HB3 ASP 45 3HB ASP 45 6.736 5.534 -3.520 333 H GLN 46 H GLN 46 4.938 6.082 -4.582 334 HA GLN 46 HA GLN 46 3.922 8.598 -5.208 335 HB2 GLN 46 2HB GLN 46 2.900 7.569 -7.202 336 HB3 GLN 46 3HB GLN 46 4.553 7.000 -6.935 337 HG2 GLN 46 2HG GLN 46 3.735 4.900 -6.009 338 HG3 GLN 46 3HG GLN 46 2.061 5.451 -6.091 339 HE21 GLN 46 1HE2 GLN 46 1.849 3.320 -7.323 340 HE22 GLN 46 2HE2 GLN 46 2.142 3.440 -9.050 341 H TRP 47 H TRP 47 2.272 5.955 -3.638 342 HA TRP 47 HA TRP 47 -0.386 6.935 -3.966 343 HB2 TRP 47 2HB TRP 47 0.138 4.613 -3.271 344 HB3 TRP 47 3HB TRP 47 0.751 5.214 -1.720 345 HD1 TRP 47 HD1 TRP 47 -1.036 4.998 0.112 346 HE1 TRP 47 HE1 TRP 47 -3.627 5.049 0.208 347 HE3 TRP 47 HE3 TRP 47 -2.095 6.064 -4.793 348 HZ2 TRP 47 HZ2 TRP 47 -5.752 5.002 -1.611 349 HZ3 TRP 47 HZ3 TRP 47 -4.413 6.300 -5.522 350 HH2 TRP 47 HH2 TRP 47 -6.297 5.642 -4.008 351 H LEU 48 H LEU 48 1.907 7.172 -1.169 352 HA LEU 48 HA LEU 48 0.433 8.913 0.373 353 HB2 LEU 48 2HB LEU 48 3.268 8.121 0.054 354 HB3 LEU 48 3HB LEU 48 3.122 9.718 0.672 355 HG LEU 48 HG LEU 48 1.632 7.318 1.811 356 HD11 LEU 48 1HD1 LEU 48 4.221 8.607 2.767 357 HD12 LEU 48 2HD1 LEU 48 3.328 7.318 3.610 358 HD13 LEU 48 3HD1 LEU 48 4.056 7.001 2.025 359 HD21 LEU 48 3HD2 LEU 48 0.607 9.519 2.404 360 HD22 LEU 48 1HD2 LEU 48 1.333 8.745 3.817 361 HD23 LEU 48 2HD2 LEU 48 2.178 10.081 3.001 362 H ILE 49 H ILE 49 2.420 9.775 -2.521 363 HA ILE 49 HA ILE 49 2.124 12.574 -2.227 364 HB ILE 49 HB ILE 49 2.448 10.898 -4.715 365 HG12 ILE 49 2HG1 ILE 49 4.214 10.340 -3.192 366 HG13 ILE 49 3HG1 ILE 49 4.805 11.296 -4.518 367 HG21 ILE 49 1HG2 ILE 49 3.535 12.968 -5.611 368 HG22 ILE 49 2HG2 ILE 49 1.786 13.096 -5.363 369 HG23 ILE 49 3HG2 ILE 49 2.892 13.841 -4.196 370 HD11 ILE 49 3HD1 ILE 49 5.811 12.021 -2.432 371 HD12 ILE 49 1HD1 ILE 49 4.763 13.310 -3.067 372 HD13 ILE 49 2HD1 ILE 49 4.206 12.281 -1.721 373 H THR 50 H THR 50 -0.071 10.087 -3.740 374 HA THR 50 HA THR 50 -1.862 12.167 -4.706 375 HB THR 50 HB THR 50 -1.146 9.351 -5.232 376 HG1 THR 50 1HG THR 50 -1.290 10.092 -7.200 377 HG21 THR 50 1HG2 THR 50 -3.317 8.850 -6.336 378 HG22 THR 50 2HG2 THR 50 -3.274 8.724 -4.578 379 HG23 THR 50 3HG2 THR 50 -4.048 10.147 -5.350 380 H ASN 51 H ASN 51 -2.407 9.147 -2.723 381 HA ASN 51 HA ASN 51 -4.576 10.575 -1.314 382 HB2 ASN 51 2HB ASN 51 -4.587 8.110 -2.440 383 HB3 ASN 51 3HB ASN 51 -3.906 7.682 -0.876 384 HD21 ASN 51 1HD2 ASN 51 -6.701 7.403 -2.282 385 HD22 ASN 51 2HD2 ASN 51 -7.794 7.913 -1.003 386 H LYS 52 H LYS 52 -4.171 11.338 0.755 387 HA LYS 52 HA LYS 52 -1.770 10.337 2.165 388 HB2 LYS 52 2HB LYS 52 -2.362 12.780 2.014 389 HB3 LYS 52 3HB LYS 52 -3.729 12.477 3.091 390 HG2 LYS 52 2HG LYS 52 -1.185 11.352 4.112 391 HG3 LYS 52 3HG LYS 52 -1.054 13.077 3.804 392 HD2 LYS 52 2HD LYS 52 -3.383 11.973 5.411 393 HD3 LYS 52 3HD LYS 52 -1.810 12.300 6.155 394 HE2 LYS 52 2HE LYS 52 -1.909 14.633 5.506 395 HE3 LYS 52 3HE LYS 52 -3.372 14.353 4.543 396 HZ1 LYS 52 3HZ LYS 52 -4.559 13.824 6.517 397 HZ2 LYS 52 1HZ LYS 52 -3.230 13.964 7.463 398 HZ3 LYS 52 2HZ LYS 52 -3.862 15.296 6.723 399 H LYS 53 H LYS 53 -4.503 8.761 1.726 400 HA LYS 53 HA LYS 53 -4.837 7.991 4.597 401 HB2 LYS 53 2HB LYS 53 -7.054 8.261 2.498 402 HB3 LYS 53 3HB LYS 53 -7.215 7.627 4.122 403 HG2 LYS 53 2HG LYS 53 -7.688 9.688 4.742 404 HG3 LYS 53 3HG LYS 53 -5.947 9.969 4.697 405 HD2 LYS 53 2HD LYS 53 -6.531 11.757 3.424 406 HD3 LYS 53 3HD LYS 53 -6.492 10.554 2.123 407 HE2 LYS 53 2HE LYS 53 -8.657 11.511 1.915 408 HE3 LYS 53 3HE LYS 53 -8.912 10.005 2.838 409 HZ1 LYS 53 3HZ LYS 53 -8.700 11.427 4.883 410 HZ2 LYS 53 1HZ LYS 53 -8.701 12.746 3.945 411 HZ3 LYS 53 2HZ LYS 53 -10.038 11.780 3.978 412 H CYS 54 H CYS 54 -6.022 5.933 4.706 413 HA CYS 54 HA CYS 54 -4.250 3.917 3.397 414 HB2 CYS 54 2HB CYS 54 -5.083 3.791 5.728 415 HB3 CYS 54 3HB CYS 54 -6.723 3.595 5.079 416 HA PRO 55 HA PRO 55 -7.172 3.667 -0.038 417 HB2 PRO 55 2HB PRO 55 -6.033 1.208 -0.967 418 HB3 PRO 55 3HB PRO 55 -5.813 2.803 -1.670 419 HG2 PRO 55 2HG PRO 55 -3.937 1.187 -0.256 420 HG3 PRO 55 3HG PRO 55 -3.702 2.833 -0.818 421 HD2 PRO 55 2HD PRO 55 -4.241 1.862 1.901 422 HD3 PRO 55 3HD PRO 55 -3.649 3.461 1.396 423 H ILE 56 H ILE 56 -6.430 1.113 2.315 424 HA ILE 56 HA ILE 56 -8.792 -0.474 1.575 425 HB ILE 56 HB ILE 56 -6.616 -0.871 3.644 426 HG12 ILE 56 2HG1 ILE 56 -7.341 -2.213 0.990 427 HG13 ILE 56 3HG1 ILE 56 -5.984 -1.110 1.256 428 HG21 ILE 56 1HG2 ILE 56 -8.962 -2.685 2.905 429 HG22 ILE 56 2HG2 ILE 56 -7.643 -3.087 4.029 430 HG23 ILE 56 3HG2 ILE 56 -8.788 -1.831 4.449 431 HD11 ILE 56 3HD1 ILE 56 -5.122 -3.339 1.287 432 HD12 ILE 56 1HD1 ILE 56 -5.080 -2.720 2.954 433 HD13 ILE 56 2HD1 ILE 56 -6.346 -3.871 2.445 434 H CYS 57 H CYS 57 -7.563 0.751 4.739 435 HA CYS 57 HA CYS 57 -10.236 0.710 5.874 436 HB2 CYS 57 2HB CYS 57 -9.087 1.607 7.847 437 HB3 CYS 57 3HB CYS 57 -8.466 0.079 7.257 438 H ARG 58 H ARG 58 -8.660 3.096 3.919 439 HA ARG 58 HA ARG 58 -9.332 5.133 3.243 440 HB2 ARG 58 2HB ARG 58 -11.447 3.502 3.142 441 HB3 ARG 58 3HB ARG 58 -12.114 4.677 4.269 442 HG2 ARG 58 2HG ARG 58 -10.964 5.268 1.492 443 HG3 ARG 58 3HG ARG 58 -12.682 5.136 1.900 444 HD2 ARG 58 2HD ARG 58 -12.397 7.014 3.519 445 HD3 ARG 58 3HD ARG 58 -10.735 7.238 2.909 446 HE ARG 58 HE ARG 58 -12.281 7.322 0.651 447 HH11 ARG 58 2HH2 ARG 58 -12.304 9.014 3.731 448 HH12 ARG 58 1HH2 ARG 58 -13.024 10.475 3.137 449 HH21 ARG 58 2HH1 ARG 58 -13.182 9.304 -0.225 450 HH22 ARG 58 1HH1 ARG 58 -13.469 10.660 0.799 451 H VAL 59 H VAL 59 -8.116 5.067 5.891 452 HA VAL 59 HA VAL 59 -9.239 7.664 6.784 453 HB VAL 59 HB VAL 59 -8.928 7.181 8.985 454 HG11 VAL 59 1HG1 VAL 59 -10.335 5.267 9.439 455 HG12 VAL 59 2HG1 VAL 59 -10.844 5.960 7.876 456 HG13 VAL 59 3HG1 VAL 59 -9.811 4.505 7.921 457 HG21 VAL 59 3HG2 VAL 59 -7.330 4.715 8.256 458 HG22 VAL 59 1HG2 VAL 59 -6.790 6.190 9.105 459 HG23 VAL 59 2HG2 VAL 59 -7.908 5.077 9.901 460 H ASP 60 H ASP 60 -7.636 9.129 7.667 461 HA ASP 60 HA ASP 60 -5.144 8.980 6.301 462 HB2 ASP 60 2HB ASP 60 -5.970 10.743 8.691 463 HB3 ASP 60 3HB ASP 60 -4.617 10.966 7.641 464 H ILE 61 H ILE 61 -3.373 7.959 6.963 465 HA ILE 61 HA ILE 61 -3.245 6.197 8.970 466 HB ILE 61 HB ILE 61 -0.940 7.811 7.857 467 HG12 ILE 61 2HG1 ILE 61 -1.163 5.313 6.564 468 HG13 ILE 61 3HG1 ILE 61 -2.827 5.839 6.687 469 HG21 ILE 61 1HG2 ILE 61 -1.173 5.186 9.310 470 HG22 ILE 61 2HG2 ILE 61 0.227 5.587 8.280 471 HG23 ILE 61 3HG2 ILE 61 -0.150 6.571 9.709 472 HD11 ILE 61 3HD1 ILE 61 -1.988 8.107 5.775 473 HD12 ILE 61 1HD1 ILE 61 -0.477 7.268 5.403 474 HD13 ILE 61 2HD1 ILE 61 -1.995 6.733 4.638 475 H GLU 62 H GLU 62 -2.729 9.616 9.270 476 HA GLU 62 HA GLU 62 -2.454 11.030 11.043 477 HB2 GLU 62 2HB GLU 62 -4.641 9.532 11.472 478 HB3 GLU 62 3HB GLU 62 -3.777 9.137 12.950 479 HG2 GLU 62 2HG GLU 62 -4.511 11.899 11.874 480 HG3 GLU 62 3HG GLU 62 -5.271 11.076 13.235 481 H ALA 63 H ALA 63 -0.212 10.518 10.699 482 HA ALA 63 HA ALA 63 1.085 9.875 13.253 483 HB1 ALA 63 1HB ALA 63 1.863 8.400 10.692 484 HB2 ALA 63 2HB ALA 63 2.685 8.275 12.264 485 HB3 ALA 63 3HB ALA 63 1.027 7.675 12.085 486 H GLN 64 H GLN 64 3.631 10.278 12.876 487 HA GLN 64 HA GLN 64 3.752 13.001 12.095 488 HB2 GLN 64 2HB GLN 64 5.327 11.521 13.702 489 HB3 GLN 64 3HB GLN 64 6.296 11.399 12.224 490 HG2 GLN 64 2HG GLN 64 5.930 13.999 12.073 491 HG3 GLN 64 3HG GLN 64 5.453 13.871 13.773 492 HE21 GLN 64 1HE2 GLN 64 7.886 15.109 12.277 493 HE22 GLN 64 2HE2 GLN 64 9.239 14.443 13.183 494 H LEU 65 H LEU 65 3.733 13.791 10.069 495 HA LEU 65 HA LEU 65 4.337 12.139 7.766 496 HB2 LEU 65 2HB LEU 65 3.669 15.069 8.209 497 HB3 LEU 65 3HB LEU 65 4.095 14.475 6.606 498 HG LEU 65 HG LEU 65 1.943 13.048 8.200 499 HD11 LEU 65 1HD1 LEU 65 0.255 14.492 7.111 500 HD12 LEU 65 2HD1 LEU 65 1.275 15.392 8.246 501 HD13 LEU 65 3HD1 LEU 65 1.558 15.541 6.497 502 HD21 LEU 65 3HD2 LEU 65 2.389 13.494 5.211 503 HD22 LEU 65 1HD2 LEU 65 2.811 12.016 6.102 504 HD23 LEU 65 2HD2 LEU 65 1.116 12.495 5.945 505 HA PRO 66 HA PRO 66 8.680 13.196 7.560 506 HB2 PRO 66 2HB PRO 66 9.286 12.435 5.032 507 HB3 PRO 66 3HB PRO 66 8.688 11.242 6.221 508 HG2 PRO 66 2HG PRO 66 7.051 12.726 4.129 509 HG3 PRO 66 3HG PRO 66 7.119 10.958 4.424 510 HD2 PRO 66 2HD PRO 66 5.185 12.560 5.523 511 HD3 PRO 66 3HD PRO 66 5.849 11.144 6.397 512 H SER 67 H SER 67 7.655 15.483 7.850 513 HA SER 67 HA SER 67 7.789 17.691 7.349 514 HB2 SER 67 2HB SER 67 10.166 16.869 6.836 515 HB3 SER 67 3HB SER 67 9.721 16.959 5.123 516 HG SER 67 HG SER 67 10.595 18.916 5.670 517 H GLU 68 H GLU 68 8.224 18.856 4.672 518 HA GLU 68 HA GLU 68 6.011 17.833 3.030 519 HB2 GLU 68 2HB GLU 68 5.122 19.748 4.315 520 HB3 GLU 68 3HB GLU 68 6.475 20.759 3.782 521 HG2 GLU 68 2HG GLU 68 5.724 20.682 1.483 522 HG3 GLU 68 3HG GLU 68 4.563 19.397 1.845 523 H SER 69 H SER 69 6.625 17.964 0.757 524 HA SER 69 HA SER 69 9.178 19.096 -0.004 525 HB2 SER 69 2HB SER 69 9.356 16.703 1.287 526 HB3 SER 69 3HB SER 69 8.906 16.118 -0.325 527 HG SER 69 HG SER 69 11.158 16.280 -0.111 Start of MODEL 8 1 H1 MET 1 H1 MET 1 4.598 -10.806 2.999 2 H2 MET 1 H2 MET 1 4.441 -11.453 1.505 3 H3 MET 1 H3 MET 1 3.709 -12.156 2.777 4 HA MET 1 HA MET 1 5.679 -13.436 2.194 5 HB2 MET 1 2HB MET 1 7.025 -10.755 2.695 6 HB3 MET 1 3HB MET 1 7.906 -12.289 2.699 7 HG2 MET 1 2HG MET 1 7.382 -12.725 0.423 8 HG3 MET 1 3HG MET 1 6.224 -11.390 0.349 9 HE1 MET 1 3HE MET 1 10.776 -11.178 -0.156 10 HE2 MET 1 1HE MET 1 10.096 -12.029 1.250 11 HE3 MET 1 2HE MET 1 9.709 -12.577 -0.401 12 H LYS 2 H LYS 2 5.865 -14.847 3.974 13 HA LYS 2 HA LYS 2 7.195 -13.950 6.326 14 HB2 LYS 2 2HB LYS 2 4.923 -13.257 7.018 15 HB3 LYS 2 3HB LYS 2 4.282 -14.829 6.550 16 HG2 LYS 2 2HG LYS 2 4.398 -14.736 8.927 17 HG3 LYS 2 3HG LYS 2 5.569 -15.904 8.385 18 HD2 LYS 2 2HD LYS 2 6.967 -13.398 8.588 19 HD3 LYS 2 3HD LYS 2 5.908 -13.494 9.994 20 HE2 LYS 2 2HE LYS 2 7.076 -16.079 9.695 21 HE3 LYS 2 3HE LYS 2 8.391 -14.937 9.435 22 HZ1 LYS 2 3HZ LYS 2 7.806 -13.983 11.635 23 HZ2 LYS 2 1HZ LYS 2 6.671 -15.194 11.822 24 HZ3 LYS 2 2HZ LYS 2 8.173 -15.603 11.714 25 H GLN 3 H GLN 3 7.860 -15.956 7.582 26 HA GLN 3 HA GLN 3 6.963 -18.525 6.557 27 HB2 GLN 3 2HB GLN 3 9.230 -19.389 6.232 28 HB3 GLN 3 3HB GLN 3 8.917 -18.036 5.144 29 HG2 GLN 3 2HG GLN 3 10.111 -16.573 6.977 30 HG3 GLN 3 3HG GLN 3 10.695 -18.119 7.602 31 HE21 GLN 3 1HE2 GLN 3 10.737 -15.902 4.777 32 HE22 GLN 3 2HE2 GLN 3 12.175 -16.631 4.077 33 H ASP 4 H ASP 4 6.642 -19.862 8.395 34 HA ASP 4 HA ASP 4 8.174 -19.553 10.795 35 HB2 ASP 4 2HB ASP 4 6.209 -17.631 10.598 36 HB3 ASP 4 3HB ASP 4 5.280 -18.943 11.303 37 H GLY 5 H GLY 5 6.804 -20.922 12.565 38 HA2 GLY 5 2HA GLY 5 5.583 -23.291 11.212 39 HA3 GLY 5 3HA GLY 5 6.352 -23.295 12.809 40 H GLU 6 H GLU 6 5.208 -20.986 14.040 41 HA GLU 6 HA GLU 6 2.520 -21.964 14.478 42 HB2 GLU 6 2HB GLU 6 4.146 -19.714 15.718 43 HB3 GLU 6 3HB GLU 6 2.452 -20.060 16.131 44 HG2 GLU 6 2HG GLU 6 3.100 -22.418 16.689 45 HG3 GLU 6 3HG GLU 6 4.792 -22.002 16.403 46 H GLU 7 H GLU 7 0.913 -21.380 13.071 47 HA GLU 7 HA GLU 7 1.368 -19.180 11.250 48 HB2 GLU 7 2HB GLU 7 0.240 -21.270 10.577 49 HB3 GLU 7 3HB GLU 7 -1.108 -20.908 11.677 50 HG2 GLU 7 2HG GLU 7 -1.655 -18.881 10.415 51 HG3 GLU 7 3HG GLU 7 -0.191 -19.049 9.438 52 H GLY 8 H GLY 8 0.871 -17.078 11.603 53 HA2 GLY 8 2HA GLY 8 -1.714 -16.367 12.641 54 HA3 GLY 8 3HA GLY 8 -0.377 -15.866 13.708 55 H THR 9 H THR 9 -2.240 -14.306 11.790 56 HA THR 9 HA THR 9 -0.120 -12.914 10.292 57 HB THR 9 HB THR 9 -1.802 -13.116 8.762 58 HG1 THR 9 1HG THR 9 -1.320 -10.875 9.057 59 HG21 THR 9 1HG2 THR 9 -3.521 -14.136 10.080 60 HG22 THR 9 2HG2 THR 9 -3.795 -12.620 10.986 61 HG23 THR 9 3HG2 THR 9 -4.207 -12.725 9.257 62 H GLU 10 H GLU 10 0.744 -11.116 11.262 63 HA GLU 10 HA GLU 10 -0.799 -9.728 13.343 64 HB2 GLU 10 2HB GLU 10 1.865 -11.085 13.637 65 HB3 GLU 10 3HB GLU 10 1.770 -9.413 14.211 66 HG2 GLU 10 2HG GLU 10 -0.221 -9.982 15.578 67 HG3 GLU 10 3HG GLU 10 -0.079 -11.672 15.071 68 H GLU 11 H GLU 11 -0.877 -7.633 12.749 69 HA GLU 11 HA GLU 11 -0.731 -5.853 11.454 70 HB2 GLU 11 2HB GLU 11 1.598 -6.060 12.835 71 HB3 GLU 11 3HB GLU 11 2.249 -6.064 11.206 72 HG2 GLU 11 2HG GLU 11 2.214 -3.797 11.860 73 HG3 GLU 11 3HG GLU 11 0.800 -3.940 10.809 74 H ASP 12 H ASP 12 1.335 -5.279 9.420 75 HA ASP 12 HA ASP 12 0.964 -5.170 7.060 76 HB2 ASP 12 2HB ASP 12 2.737 -7.466 7.960 77 HB3 ASP 12 3HB ASP 12 2.727 -6.797 6.322 78 H THR 13 H THR 13 -1.467 -5.940 7.465 79 HA THR 13 HA THR 13 -1.864 -8.562 6.258 80 HB THR 13 HB THR 13 -3.447 -7.535 7.902 81 HG1 THR 13 1HG THR 13 -5.091 -8.676 6.919 82 HG21 THR 13 1HG2 THR 13 -3.755 -5.357 6.657 83 HG22 THR 13 2HG2 THR 13 -4.627 -6.305 5.413 84 HG23 THR 13 3HG2 THR 13 -5.268 -6.201 7.068 85 H GLU 14 H GLU 14 -0.987 -8.753 4.460 86 HA GLU 14 HA GLU 14 -0.957 -6.814 2.280 87 HB2 GLU 14 2HB GLU 14 1.043 -8.191 2.857 88 HB3 GLU 14 3HB GLU 14 0.086 -9.663 2.752 89 HG2 GLU 14 2HG GLU 14 -0.263 -9.010 0.244 90 HG3 GLU 14 3HG GLU 14 1.086 -7.922 0.493 91 H GLU 15 H GLU 15 -2.880 -6.756 0.993 92 HA GLU 15 HA GLU 15 -3.626 -9.343 -0.029 93 HB2 GLU 15 2HB GLU 15 -5.489 -7.843 1.698 94 HB3 GLU 15 3HB GLU 15 -6.157 -8.185 0.108 95 HG2 GLU 15 2HG GLU 15 -5.108 -10.628 0.599 96 HG3 GLU 15 3HG GLU 15 -5.408 -10.112 2.260 97 H LYS 16 H LYS 16 -2.239 -8.498 -1.562 98 HA LYS 16 HA LYS 16 -1.979 -8.047 -3.771 99 HB2 LYS 16 2HB LYS 16 -4.978 -7.459 -3.825 100 HB3 LYS 16 3HB LYS 16 -3.939 -7.680 -5.208 101 HG2 LYS 16 2HG LYS 16 -5.221 -9.684 -4.855 102 HG3 LYS 16 3HG LYS 16 -3.513 -10.039 -4.551 103 HD2 LYS 16 2HD LYS 16 -3.823 -10.234 -2.253 104 HD3 LYS 16 3HD LYS 16 -5.397 -9.399 -2.279 105 HE2 LYS 16 2HE LYS 16 -5.144 -11.980 -3.785 106 HE3 LYS 16 3HE LYS 16 -5.124 -12.045 -2.015 107 HZ1 LYS 16 3HZ LYS 16 -7.356 -12.233 -2.782 108 HZ2 LYS 16 1HZ LYS 16 -7.176 -10.859 -1.950 109 HZ3 LYS 16 2HZ LYS 16 -7.274 -10.785 -3.584 110 H CYS 17 H CYS 17 -1.820 -6.069 -5.371 111 HA CYS 17 HA CYS 17 -1.664 -3.678 -3.754 112 HB2 CYS 17 2HB CYS 17 0.064 -4.540 -5.479 113 HB3 CYS 17 3HB CYS 17 -1.042 -3.806 -6.642 114 H THR 18 H THR 18 -3.002 -2.032 -4.037 115 HA THR 18 HA THR 18 -5.232 -2.360 -6.010 116 HB THR 18 HB THR 18 -5.678 -2.602 -3.495 117 HG1 THR 18 1HG THR 18 -7.215 -1.095 -5.343 118 HG21 THR 18 1HG2 THR 18 -6.430 -0.544 -2.451 119 HG22 THR 18 2HG2 THR 18 -4.716 -0.379 -2.913 120 HG23 THR 18 3HG2 THR 18 -5.984 0.388 -3.899 121 H ILE 19 H ILE 19 -2.636 -0.293 -4.882 122 HA ILE 19 HA ILE 19 -3.573 2.030 -6.306 123 HB ILE 19 HB ILE 19 -0.896 1.079 -5.172 124 HG12 ILE 19 2HG1 ILE 19 -1.570 3.331 -3.813 125 HG13 ILE 19 3HG1 ILE 19 -3.189 2.760 -4.145 126 HG21 ILE 19 1HG2 ILE 19 -1.566 3.752 -6.433 127 HG22 ILE 19 2HG2 ILE 19 -0.071 3.362 -5.536 128 HG23 ILE 19 3HG2 ILE 19 -0.425 2.526 -7.049 129 HD11 ILE 19 3HD1 ILE 19 -2.261 2.005 -1.964 130 HD12 ILE 19 1HD1 ILE 19 -2.632 0.620 -3.007 131 HD13 ILE 19 2HD1 ILE 19 -0.949 1.162 -2.807 132 H CYS 20 H CYS 20 -1.672 -0.897 -6.979 133 HA CYS 20 HA CYS 20 -1.125 -0.013 -9.800 134 HB2 CYS 20 2HB CYS 20 -0.530 -2.613 -8.447 135 HB3 CYS 20 3HB CYS 20 -0.001 -2.089 -10.041 136 H LEU 21 H LEU 21 -3.929 -0.845 -8.371 137 HA LEU 21 HA LEU 21 -5.624 -2.344 -8.680 138 HB2 LEU 21 2HB LEU 21 -5.236 -1.051 -11.319 139 HB3 LEU 21 3HB LEU 21 -6.514 -2.243 -11.038 140 HG LEU 21 HG LEU 21 -7.109 -0.894 -8.937 141 HD11 LEU 21 1HD1 LEU 21 -6.734 1.522 -9.124 142 HD12 LEU 21 2HD1 LEU 21 -5.188 0.672 -9.057 143 HD13 LEU 21 3HD1 LEU 21 -5.777 1.288 -10.610 144 HD21 LEU 21 3HD2 LEU 21 -7.705 0.136 -11.747 145 HD22 LEU 21 1HD2 LEU 21 -8.559 -1.176 -10.902 146 HD23 LEU 21 2HD2 LEU 21 -8.668 0.483 -10.291 147 H SER 22 H SER 22 -3.521 -4.001 -8.370 148 HA SER 22 HA SER 22 -4.105 -6.314 -9.986 149 HB2 SER 22 2HB SER 22 -1.689 -4.636 -10.711 150 HB3 SER 22 3HB SER 22 -1.581 -6.401 -10.806 151 HG SER 22 HG SER 22 -3.582 -4.845 -12.066 152 H ILE 23 H ILE 23 -2.819 -8.210 -9.330 153 HA ILE 23 HA ILE 23 -2.212 -8.312 -6.607 154 HB ILE 23 HB ILE 23 -1.259 -10.497 -7.129 155 HG12 ILE 23 2HG1 ILE 23 -1.956 -11.308 -9.508 156 HG13 ILE 23 3HG1 ILE 23 -1.682 -9.657 -10.037 157 HG21 ILE 23 1HG2 ILE 23 -3.347 -11.462 -7.663 158 HG22 ILE 23 2HG2 ILE 23 -3.677 -9.976 -6.753 159 HG23 ILE 23 3HG2 ILE 23 -3.906 -10.002 -8.514 160 HD11 ILE 23 3HD1 ILE 23 0.612 -9.753 -9.219 161 HD12 ILE 23 1HD1 ILE 23 0.317 -11.378 -8.543 162 HD13 ILE 23 2HD1 ILE 23 0.304 -11.121 -10.305 163 H LEU 24 H LEU 24 -0.225 -8.650 -5.494 164 HA LEU 24 HA LEU 24 1.885 -6.895 -6.332 165 HB2 LEU 24 2HB LEU 24 1.352 -8.840 -4.061 166 HB3 LEU 24 3HB LEU 24 2.997 -8.342 -4.365 167 HG LEU 24 HG LEU 24 0.694 -6.457 -3.830 168 HD11 LEU 24 1HD1 LEU 24 3.035 -7.285 -2.054 169 HD12 LEU 24 2HD1 LEU 24 1.764 -6.117 -1.627 170 HD13 LEU 24 3HD1 LEU 24 1.359 -7.830 -1.862 171 HD21 LEU 24 3HD2 LEU 24 3.679 -5.960 -4.173 172 HD22 LEU 24 1HD2 LEU 24 2.351 -5.293 -5.151 173 HD23 LEU 24 2HD2 LEU 24 2.548 -4.779 -3.479 174 H GLU 25 H GLU 25 4.050 -7.570 -6.528 175 HA GLU 25 HA GLU 25 4.418 -10.112 -8.004 176 HB2 GLU 25 2HB GLU 25 6.075 -8.782 -9.405 177 HB3 GLU 25 3HB GLU 25 4.347 -8.513 -9.703 178 HG2 GLU 25 2HG GLU 25 4.398 -6.521 -8.243 179 HG3 GLU 25 3HG GLU 25 6.139 -6.720 -8.023 180 H GLU 26 H GLU 26 5.500 -11.313 -6.433 181 HA GLU 26 HA GLU 26 7.032 -9.935 -4.459 182 HB2 GLU 26 2HB GLU 26 5.733 -12.134 -4.194 183 HB3 GLU 26 3HB GLU 26 7.126 -12.932 -4.951 184 HG2 GLU 26 2HG GLU 26 8.609 -11.894 -3.212 185 HG3 GLU 26 3HG GLU 26 7.198 -11.108 -2.501 186 H GLY 27 H GLY 27 8.833 -8.896 -5.152 187 HA2 GLY 27 2HA GLY 27 11.034 -10.439 -6.343 188 HA3 GLY 27 3HA GLY 27 10.275 -9.249 -7.421 189 H GLU 28 H GLU 28 9.982 -6.938 -6.338 190 HA GLU 28 HA GLU 28 12.581 -6.219 -5.254 191 HB2 GLU 28 2HB GLU 28 10.774 -4.961 -6.965 192 HB3 GLU 28 3HB GLU 28 10.407 -4.183 -5.443 193 HG2 GLU 28 2HG GLU 28 12.070 -2.829 -6.358 194 HG3 GLU 28 3HG GLU 28 12.990 -3.834 -5.234 195 H ASP 29 H ASP 29 11.914 -4.190 -3.673 196 HA ASP 29 HA ASP 29 11.175 -5.598 -1.193 197 HB2 ASP 29 2HB ASP 29 13.131 -3.845 -1.590 198 HB3 ASP 29 3HB ASP 29 11.858 -2.661 -1.279 199 H VAL 30 H VAL 30 9.291 -5.140 0.052 200 HA VAL 30 HA VAL 30 7.342 -3.299 -1.181 201 HB VAL 30 HB VAL 30 5.653 -4.708 -0.104 202 HG11 VAL 30 1HG1 VAL 30 7.428 -6.102 -2.108 203 HG12 VAL 30 2HG1 VAL 30 5.684 -6.411 -1.824 204 HG13 VAL 30 3HG1 VAL 30 6.222 -4.838 -2.449 205 HG21 VAL 30 3HG2 VAL 30 7.880 -6.727 0.221 206 HG22 VAL 30 1HG2 VAL 30 7.166 -5.782 1.555 207 HG23 VAL 30 2HG2 VAL 30 6.162 -6.932 0.641 208 H ARG 31 H ARG 31 5.638 -2.670 0.594 209 HA ARG 31 HA ARG 31 6.852 -2.287 3.174 210 HB2 ARG 31 2HB ARG 31 7.716 -0.451 1.278 211 HB3 ARG 31 3HB ARG 31 6.364 0.383 2.005 212 HG2 ARG 31 2HG ARG 31 8.367 1.010 3.184 213 HG3 ARG 31 3HG ARG 31 7.468 -0.065 4.280 214 HD2 ARG 31 2HD ARG 31 8.885 -1.950 3.669 215 HD3 ARG 31 3HD ARG 31 9.622 -1.029 2.345 216 HE ARG 31 HE ARG 31 10.053 0.229 4.896 217 HH11 ARG 31 2HH2 ARG 31 11.133 -2.426 2.739 218 HH12 ARG 31 1HH2 ARG 31 12.689 -2.529 3.357 219 HH21 ARG 31 2HH1 ARG 31 12.237 0.115 5.764 220 HH22 ARG 31 1HH1 ARG 31 13.345 -1.057 5.136 221 H ARG 32 H ARG 32 5.258 -1.861 4.759 222 HA ARG 32 HA ARG 32 2.618 -1.557 3.591 223 HB2 ARG 32 2HB ARG 32 1.736 -2.183 5.649 224 HB3 ARG 32 3HB ARG 32 3.108 -3.234 5.439 225 HG2 ARG 32 2HG ARG 32 4.256 -2.301 7.250 226 HG3 ARG 32 3HG ARG 32 3.528 -0.707 7.039 227 HD2 ARG 32 2HD ARG 32 1.276 -1.826 7.655 228 HD3 ARG 32 3HD ARG 32 2.222 -3.162 8.269 229 HE ARG 32 HE ARG 32 1.803 -0.520 9.373 230 HH11 ARG 32 2HH2 ARG 32 3.968 -3.325 9.485 231 HH12 ARG 32 1HH2 ARG 32 4.718 -2.888 10.963 232 HH21 ARG 32 2HH1 ARG 32 2.570 -0.047 11.409 233 HH22 ARG 32 1HH1 ARG 32 3.861 -0.954 12.143 234 H LEU 33 H LEU 33 1.054 -0.116 4.529 235 HA LEU 33 HA LEU 33 2.003 2.651 4.842 236 HB2 LEU 33 2HB LEU 33 -0.663 1.245 5.304 237 HB3 LEU 33 3HB LEU 33 -0.435 2.996 5.435 238 HG LEU 33 HG LEU 33 0.232 1.613 2.896 239 HD11 LEU 33 1HD1 LEU 33 -2.558 2.330 3.856 240 HD12 LEU 33 2HD1 LEU 33 -2.134 1.964 2.167 241 HD13 LEU 33 3HD1 LEU 33 -1.951 0.717 3.418 242 HD21 LEU 33 3HD2 LEU 33 -1.001 4.337 3.499 243 HD22 LEU 33 1HD2 LEU 33 0.733 4.051 3.227 244 HD23 LEU 33 2HD2 LEU 33 -0.429 3.759 1.919 245 HA PRO 34 HA PRO 34 2.926 2.017 9.160 246 HB2 PRO 34 2HB PRO 34 1.333 4.490 9.771 247 HB3 PRO 34 3HB PRO 34 2.994 4.078 10.263 248 HG2 PRO 34 2HG PRO 34 2.477 5.856 8.227 249 HG3 PRO 34 3HG PRO 34 3.890 4.759 8.203 250 HD2 PRO 34 2HD PRO 34 1.322 4.540 6.666 251 HD3 PRO 34 3HD PRO 34 2.978 4.039 6.213 252 H CYS 35 H CYS 35 -0.301 2.929 8.236 253 HA CYS 35 HA CYS 35 -2.240 2.410 10.021 254 HB2 CYS 35 2HB CYS 35 -2.718 2.895 7.730 255 HB3 CYS 35 3HB CYS 35 -1.959 1.380 7.221 256 H MET 36 H MET 36 -0.684 -0.216 8.216 257 HA MET 36 HA MET 36 -0.529 -2.410 9.669 258 HB2 MET 36 2HB MET 36 -3.425 -1.579 9.708 259 HB3 MET 36 3HB MET 36 -3.071 -3.248 9.356 260 HG2 MET 36 2HG MET 36 -2.074 -3.681 11.415 261 HG3 MET 36 3HG MET 36 -1.726 -1.992 11.735 262 HE1 MET 36 3HE MET 36 -2.689 -3.469 14.136 263 HE2 MET 36 1HE MET 36 -2.467 -1.713 14.005 264 HE3 MET 36 2HE MET 36 -3.958 -2.368 14.725 265 H HIS 37 H HIS 37 -2.760 -1.282 7.048 266 HA HIS 37 HA HIS 37 -2.515 -3.766 5.614 267 HB2 HIS 37 1HB HIS 37 -3.295 -1.053 4.537 268 HB3 HIS 37 2HB HIS 37 -3.571 -2.579 3.754 269 HD2 HIS 37 2HD HIS 37 -5.214 -4.333 4.814 270 HE1 HIS 37 1HE HIS 37 -7.537 -1.607 7.116 271 HE2 HIS 37 2HE HIS 37 -7.414 -4.008 6.227 272 H LEU 38 H LEU 38 -1.298 -4.328 3.876 273 HA LEU 38 HA LEU 38 1.189 -2.770 3.553 274 HB2 LEU 38 2HB LEU 38 1.525 -4.871 4.593 275 HB3 LEU 38 3HB LEU 38 0.712 -5.733 3.284 276 HG LEU 38 HG LEU 38 3.171 -4.098 2.729 277 HD11 LEU 38 1HD1 LEU 38 3.858 -5.465 4.593 278 HD12 LEU 38 2HD1 LEU 38 3.132 -6.913 3.867 279 HD13 LEU 38 3HD1 LEU 38 4.549 -6.141 3.114 280 HD21 LEU 38 3HD2 LEU 38 1.610 -5.556 0.987 281 HD22 LEU 38 1HD2 LEU 38 3.365 -5.363 0.789 282 HD23 LEU 38 2HD2 LEU 38 2.708 -6.815 1.543 283 H PHE 39 H PHE 39 2.385 -2.734 1.506 284 HA PHE 39 HA PHE 39 0.912 -3.346 -0.919 285 HB2 PHE 39 2HB PHE 39 1.400 -0.498 0.051 286 HB3 PHE 39 3HB PHE 39 1.261 -0.845 -1.662 287 HD1 PHE 39 1HD PHE 39 -0.717 -2.543 -2.244 288 HD2 PHE 39 2HD PHE 39 -0.663 0.155 1.091 289 HE1 PHE 39 1HE PHE 39 -3.212 -2.649 -2.128 290 HE2 PHE 39 2HE PHE 39 -3.144 0.101 1.167 291 HZ PHE 39 HZ PHE 39 -4.416 -1.224 -0.546 292 H HIS 40 H HIS 40 2.350 -2.126 -2.796 293 HA HIS 40 HA HIS 40 5.081 -3.151 -2.661 294 HB2 HIS 40 1HB HIS 40 3.622 -1.209 -4.431 295 HB3 HIS 40 2HB HIS 40 5.353 -1.352 -4.558 296 HD2 HIS 40 2HD HIS 40 6.243 -3.898 -5.336 297 HE1 HIS 40 1HE HIS 40 3.197 -3.798 -8.281 298 HE2 HIS 40 2HE HIS 40 5.442 -4.697 -7.715 299 H GLN 41 H GLN 41 6.965 -1.890 -2.222 300 HA GLN 41 HA GLN 41 6.724 0.376 -0.502 301 HB2 GLN 41 2HB GLN 41 8.778 -1.171 -0.693 302 HB3 GLN 41 3HB GLN 41 9.075 -0.471 -2.277 303 HG2 GLN 41 2HG GLN 41 8.923 1.819 -0.753 304 HG3 GLN 41 3HG GLN 41 9.527 0.682 0.449 305 HE21 GLN 41 1HE2 GLN 41 10.865 3.056 -0.932 306 HE22 GLN 41 2HE2 GLN 41 12.297 2.324 -1.639 307 H VAL 42 H VAL 42 7.728 0.089 -3.902 308 HA VAL 42 HA VAL 42 7.901 2.871 -4.327 309 HB VAL 42 HB VAL 42 8.467 0.625 -5.740 310 HG11 VAL 42 1HG1 VAL 42 6.180 0.356 -6.640 311 HG12 VAL 42 2HG1 VAL 42 6.321 1.949 -7.429 312 HG13 VAL 42 3HG1 VAL 42 7.395 0.624 -7.901 313 HG21 VAL 42 3HG2 VAL 42 8.318 3.469 -6.820 314 HG22 VAL 42 1HG2 VAL 42 9.652 2.766 -5.879 315 HG23 VAL 42 2HG2 VAL 42 9.307 2.157 -7.507 316 H CYS 43 H CYS 43 5.096 0.933 -3.992 317 HA CYS 43 HA CYS 43 3.283 2.905 -5.434 318 HB2 CYS 43 2HB CYS 43 2.771 0.495 -3.712 319 HB3 CYS 43 3HB CYS 43 1.562 1.598 -4.301 320 H VAL 44 H VAL 44 4.246 1.945 -2.011 321 HA VAL 44 HA VAL 44 2.230 3.502 -0.834 322 HB VAL 44 HB VAL 44 4.135 1.727 -0.005 323 HG11 VAL 44 1HG1 VAL 44 5.619 2.727 1.605 324 HG12 VAL 44 2HG1 VAL 44 5.944 3.391 -0.001 325 HG13 VAL 44 3HG1 VAL 44 5.052 4.359 1.197 326 HG21 VAL 44 3HG2 VAL 44 2.004 2.169 1.052 327 HG22 VAL 44 1HG2 VAL 44 3.303 2.155 2.258 328 HG23 VAL 44 2HG2 VAL 44 2.621 3.710 1.710 329 H ASP 45 H ASP 45 5.238 4.220 -2.279 330 HA ASP 45 HA ASP 45 5.595 6.978 -1.364 331 HB2 ASP 45 2HB ASP 45 7.556 5.872 -2.169 332 HB3 ASP 45 3HB ASP 45 6.740 5.286 -3.615 333 H GLN 46 H GLN 46 4.965 5.963 -4.780 334 HA GLN 46 HA GLN 46 4.069 8.497 -5.497 335 HB2 GLN 46 2HB GLN 46 3.355 5.818 -6.755 336 HB3 GLN 46 3HB GLN 46 3.025 7.401 -7.484 337 HG2 GLN 46 2HG GLN 46 5.500 7.928 -7.275 338 HG3 GLN 46 3HG GLN 46 5.760 6.239 -6.819 339 HE21 GLN 46 1HE2 GLN 46 5.791 4.659 -8.469 340 HE22 GLN 46 2HE2 GLN 46 5.514 5.080 -10.161 341 H TRP 47 H TRP 47 2.264 6.035 -3.861 342 HA TRP 47 HA TRP 47 -0.340 7.114 -4.270 343 HB2 TRP 47 2HB TRP 47 0.218 4.784 -3.575 344 HB3 TRP 47 3HB TRP 47 0.817 5.392 -2.026 345 HD1 TRP 47 HD1 TRP 47 -0.883 4.700 -0.274 346 HE1 TRP 47 HE1 TRP 47 -3.439 4.914 -0.050 347 HE3 TRP 47 HE3 TRP 47 -2.133 6.469 -4.943 348 HZ2 TRP 47 HZ2 TRP 47 -5.652 5.290 -1.640 349 HZ3 TRP 47 HZ3 TRP 47 -4.473 6.958 -5.471 350 HH2 TRP 47 HH2 TRP 47 -6.301 6.306 -3.887 351 H LEU 48 H LEU 48 1.961 7.326 -1.491 352 HA LEU 48 HA LEU 48 0.589 9.186 0.040 353 HB2 LEU 48 2HB LEU 48 3.375 8.188 -0.237 354 HB3 LEU 48 3HB LEU 48 3.258 9.736 0.497 355 HG LEU 48 HG LEU 48 1.630 7.328 1.395 356 HD11 LEU 48 1HD1 LEU 48 3.238 7.150 3.265 357 HD12 LEU 48 2HD1 LEU 48 4.038 6.922 1.699 358 HD13 LEU 48 3HD1 LEU 48 4.206 8.467 2.559 359 HD21 LEU 48 3HD2 LEU 48 1.324 8.639 3.496 360 HD22 LEU 48 1HD2 LEU 48 2.204 9.999 2.766 361 HD23 LEU 48 2HD2 LEU 48 0.636 9.497 2.114 362 H ILE 49 H ILE 49 2.427 9.800 -2.956 363 HA ILE 49 HA ILE 49 2.794 12.561 -2.630 364 HB ILE 49 HB ILE 49 2.286 10.890 -5.085 365 HG12 ILE 49 2HG1 ILE 49 4.305 10.293 -3.750 366 HG13 ILE 49 3HG1 ILE 49 4.596 10.793 -5.406 367 HG21 ILE 49 1HG2 ILE 49 1.757 13.091 -5.761 368 HG22 ILE 49 2HG2 ILE 49 3.152 13.766 -4.899 369 HG23 ILE 49 3HG2 ILE 49 3.389 12.738 -6.342 370 HD11 ILE 49 3HD1 ILE 49 5.282 13.004 -4.675 371 HD12 ILE 49 1HD1 ILE 49 4.900 12.585 -2.986 372 HD13 ILE 49 2HD1 ILE 49 6.224 11.757 -3.834 373 H THR 50 H THR 50 -0.210 10.755 -3.513 374 HA THR 50 HA THR 50 -1.600 13.391 -3.715 375 HB THR 50 HB THR 50 -3.220 12.085 -5.128 376 HG1 THR 50 1HG THR 50 -2.140 10.110 -6.007 377 HG21 THR 50 1HG2 THR 50 -1.853 12.114 -7.137 378 HG22 THR 50 2HG2 THR 50 -1.362 13.475 -6.111 379 HG23 THR 50 3HG2 THR 50 -0.359 12.009 -6.183 380 H ASN 51 H ASN 51 -2.343 9.965 -2.986 381 HA ASN 51 HA ASN 51 -4.509 10.543 -1.179 382 HB2 ASN 51 2HB ASN 51 -4.505 8.361 -2.120 383 HB3 ASN 51 3HB ASN 51 -2.768 8.171 -1.885 384 HD21 ASN 51 1HD2 ASN 51 -1.931 7.775 0.224 385 HD22 ASN 51 2HD2 ASN 51 -2.960 7.008 1.434 386 H LYS 52 H LYS 52 -4.496 10.824 1.023 387 HA LYS 52 HA LYS 52 -1.942 10.296 2.495 388 HB2 LYS 52 2HB LYS 52 -3.889 12.546 3.118 389 HB3 LYS 52 3HB LYS 52 -2.381 12.168 3.963 390 HG2 LYS 52 2HG LYS 52 -1.131 12.613 1.795 391 HG3 LYS 52 3HG LYS 52 -2.670 13.140 1.086 392 HD2 LYS 52 2HD LYS 52 -1.639 15.133 1.792 393 HD3 LYS 52 3HD LYS 52 -2.856 14.791 3.038 394 HE2 LYS 52 2HE LYS 52 -1.012 13.675 4.394 395 HE3 LYS 52 3HE LYS 52 0.140 14.208 3.160 396 HZ1 LYS 52 3HZ LYS 52 -0.535 16.490 3.654 397 HZ2 LYS 52 1HZ LYS 52 -1.538 15.955 4.849 398 HZ3 LYS 52 2HZ LYS 52 0.087 15.742 4.981 399 H LYS 53 H LYS 53 -4.521 8.671 2.003 400 HA LYS 53 HA LYS 53 -5.194 8.183 4.846 401 HB2 LYS 53 2HB LYS 53 -7.128 8.135 2.474 402 HB3 LYS 53 3HB LYS 53 -7.524 7.712 4.132 403 HG2 LYS 53 2HG LYS 53 -7.177 9.931 4.934 404 HG3 LYS 53 3HG LYS 53 -6.492 10.486 3.408 405 HD2 LYS 53 2HD LYS 53 -8.515 11.089 2.674 406 HD3 LYS 53 3HD LYS 53 -9.070 9.417 2.794 407 HE2 LYS 53 2HE LYS 53 -10.571 10.683 4.150 408 HE3 LYS 53 3HE LYS 53 -9.492 9.826 5.263 409 HZ1 LYS 53 3HZ LYS 53 -9.507 12.701 4.637 410 HZ2 LYS 53 1HZ LYS 53 -9.452 11.912 6.108 411 HZ3 LYS 53 2HZ LYS 53 -8.150 11.963 5.216 412 H CYS 54 H CYS 54 -6.443 5.970 4.844 413 HA CYS 54 HA CYS 54 -4.588 3.979 3.523 414 HB2 CYS 54 2HB CYS 54 -5.495 3.771 5.848 415 HB3 CYS 54 3HB CYS 54 -7.107 3.594 5.129 416 HA PRO 55 HA PRO 55 -7.447 3.952 -0.007 417 HB2 PRO 55 2HB PRO 55 -6.509 1.748 -1.333 418 HB3 PRO 55 3HB PRO 55 -5.614 3.263 -1.321 419 HG2 PRO 55 2HG PRO 55 -5.187 0.867 0.424 420 HG3 PRO 55 3HG PRO 55 -3.964 1.839 -0.465 421 HD2 PRO 55 2HD PRO 55 -4.517 2.194 2.180 422 HD3 PRO 55 3HD PRO 55 -4.035 3.547 1.170 423 H ILE 56 H ILE 56 -6.754 1.208 2.145 424 HA ILE 56 HA ILE 56 -9.134 -0.276 1.316 425 HB ILE 56 HB ILE 56 -6.954 -0.793 3.334 426 HG12 ILE 56 2HG1 ILE 56 -7.707 -2.465 0.916 427 HG13 ILE 56 3HG1 ILE 56 -6.804 -0.972 0.652 428 HG21 ILE 56 1HG2 ILE 56 -7.992 -3.096 3.503 429 HG22 ILE 56 2HG2 ILE 56 -8.987 -1.837 4.244 430 HG23 ILE 56 3HG2 ILE 56 -9.411 -2.476 2.643 431 HD11 ILE 56 3HD1 ILE 56 -5.057 -1.664 2.167 432 HD12 ILE 56 1HD1 ILE 56 -5.929 -3.175 2.538 433 HD13 ILE 56 2HD1 ILE 56 -5.300 -2.894 0.903 434 H CYS 57 H CYS 57 -7.927 0.863 4.534 435 HA CYS 57 HA CYS 57 -10.639 0.734 5.643 436 HB2 CYS 57 2HB CYS 57 -9.504 1.423 7.699 437 HB3 CYS 57 3HB CYS 57 -8.925 -0.057 7.001 438 H ARG 58 H ARG 58 -8.984 3.204 3.891 439 HA ARG 58 HA ARG 58 -9.720 5.227 3.228 440 HB2 ARG 58 2HB ARG 58 -11.873 3.578 3.329 441 HB3 ARG 58 3HB ARG 58 -12.441 4.840 4.413 442 HG2 ARG 58 2HG ARG 58 -11.483 5.168 1.533 443 HG3 ARG 58 3HG ARG 58 -13.159 5.169 2.086 444 HD2 ARG 58 2HD ARG 58 -12.633 7.187 3.500 445 HD3 ARG 58 3HD ARG 58 -11.050 7.276 2.714 446 HE ARG 58 HE ARG 58 -13.623 8.085 1.708 447 HH11 ARG 58 2HH2 ARG 58 -10.497 6.861 0.622 448 HH12 ARG 58 1HH2 ARG 58 -10.602 7.520 -0.972 449 HH21 ARG 58 2HH1 ARG 58 -13.804 8.979 -0.420 450 HH22 ARG 58 1HH1 ARG 58 -12.542 8.759 -1.572 451 H VAL 59 H VAL 59 -8.528 5.072 6.008 452 HA VAL 59 HA VAL 59 -9.597 7.718 6.860 453 HB VAL 59 HB VAL 59 -9.383 7.199 9.076 454 HG11 VAL 59 1HG1 VAL 59 -10.346 4.584 7.923 455 HG12 VAL 59 2HG1 VAL 59 -10.890 5.347 9.432 456 HG13 VAL 59 3HG1 VAL 59 -11.306 6.085 7.862 457 HG21 VAL 59 3HG2 VAL 59 -7.283 6.107 9.242 458 HG22 VAL 59 1HG2 VAL 59 -8.478 5.037 9.980 459 HG23 VAL 59 2HG2 VAL 59 -7.864 4.677 8.345 460 H ASP 60 H ASP 60 -7.984 9.122 7.938 461 HA ASP 60 HA ASP 60 -5.523 8.985 6.570 462 HB2 ASP 60 2HB ASP 60 -6.129 10.629 9.077 463 HB3 ASP 60 3HB ASP 60 -4.974 10.955 7.804 464 H ILE 61 H ILE 61 -3.724 7.881 7.161 465 HA ILE 61 HA ILE 61 -3.682 5.941 8.982 466 HB ILE 61 HB ILE 61 -1.280 7.544 8.087 467 HG12 ILE 61 2HG1 ILE 61 -1.575 5.243 6.496 468 HG13 ILE 61 3HG1 ILE 61 -3.225 5.802 6.651 469 HG21 ILE 61 1HG2 ILE 61 -1.660 4.704 9.060 470 HG22 ILE 61 2HG2 ILE 61 -0.173 5.316 8.274 471 HG23 ILE 61 3HG2 ILE 61 -0.699 5.980 9.832 472 HD11 ILE 61 3HD1 ILE 61 -2.358 8.120 5.974 473 HD12 ILE 61 1HD1 ILE 61 -0.803 7.344 5.640 474 HD13 ILE 61 2HD1 ILE 61 -2.247 6.863 4.717 475 H GLU 62 H GLU 62 -3.054 9.289 9.599 476 HA GLU 62 HA GLU 62 -2.691 10.560 11.367 477 HB2 GLU 62 2HB GLU 62 -4.865 8.921 11.964 478 HB3 GLU 62 3HB GLU 62 -3.927 8.903 13.451 479 HG2 GLU 62 2HG GLU 62 -4.858 11.369 11.920 480 HG3 GLU 62 3HG GLU 62 -5.566 10.743 13.409 481 H ALA 63 H ALA 63 -0.521 10.550 11.398 482 HA ALA 63 HA ALA 63 0.779 9.246 13.651 483 HB1 ALA 63 1HB ALA 63 0.829 7.445 11.914 484 HB2 ALA 63 2HB ALA 63 1.665 8.557 10.805 485 HB3 ALA 63 3HB ALA 63 2.454 8.023 12.308 486 H GLN 64 H GLN 64 3.361 9.743 13.203 487 HA GLN 64 HA GLN 64 3.605 12.549 13.357 488 HB2 GLN 64 2HB GLN 64 5.223 10.500 14.009 489 HB3 GLN 64 3HB GLN 64 5.932 10.868 12.429 490 HG2 GLN 64 2HG GLN 64 6.237 13.244 13.166 491 HG3 GLN 64 3HG GLN 64 5.510 12.828 14.731 492 HE21 GLN 64 1HE2 GLN 64 7.717 13.756 15.485 493 HE22 GLN 64 2HE2 GLN 64 9.011 12.567 15.573 494 H LEU 65 H LEU 65 3.821 14.118 11.792 495 HA LEU 65 HA LEU 65 2.884 13.523 9.253 496 HB2 LEU 65 2HB LEU 65 3.498 15.810 8.604 497 HB3 LEU 65 3HB LEU 65 2.641 15.744 10.132 498 HG LEU 65 HG LEU 65 5.589 15.677 10.492 499 HD11 LEU 65 1HD1 LEU 65 4.309 18.120 9.195 500 HD12 LEU 65 2HD1 LEU 65 5.950 18.033 9.877 501 HD13 LEU 65 3HD1 LEU 65 5.536 17.059 8.457 502 HD21 LEU 65 3HD2 LEU 65 3.430 17.578 11.493 503 HD22 LEU 65 1HD2 LEU 65 3.952 16.097 12.322 504 HD23 LEU 65 2HD2 LEU 65 5.088 17.438 12.112 505 HA PRO 66 HA PRO 66 6.472 12.055 7.136 506 HB2 PRO 66 2HB PRO 66 5.647 12.192 4.531 507 HB3 PRO 66 3HB PRO 66 4.903 11.056 5.700 508 HG2 PRO 66 2HG PRO 66 3.904 13.812 4.901 509 HG3 PRO 66 3HG PRO 66 2.982 12.271 4.927 510 HD2 PRO 66 2HD PRO 66 2.899 14.036 7.006 511 HD3 PRO 66 3HD PRO 66 2.890 12.266 7.293 512 H SER 67 H SER 67 7.931 12.748 5.228 513 HA SER 67 HA SER 67 8.205 15.656 4.950 514 HB2 SER 67 2HB SER 67 9.390 15.128 7.034 515 HB3 SER 67 3HB SER 67 10.228 13.775 6.258 516 HG SER 67 HG SER 67 11.464 15.156 5.122 517 H GLU 68 H GLU 68 10.108 16.001 3.441 518 HA GLU 68 HA GLU 68 10.253 14.138 1.196 519 HB2 GLU 68 2HB GLU 68 10.938 16.852 1.714 520 HB3 GLU 68 3HB GLU 68 12.492 16.043 1.547 521 HG2 GLU 68 2HG GLU 68 10.197 15.891 -0.460 522 HG3 GLU 68 3HG GLU 68 11.574 16.993 -0.577 523 H SER 69 H SER 69 11.829 12.516 0.984 524 HA SER 69 HA SER 69 14.192 12.002 2.325 525 HB2 SER 69 2HB SER 69 11.716 11.075 3.816 526 HB3 SER 69 3HB SER 69 13.138 10.021 3.747 527 HG SER 69 HG SER 69 13.273 12.719 4.556 Start of MODEL 9 1 H1 MET 1 H1 MET 1 4.787 -31.889 4.453 2 H2 MET 1 H2 MET 1 5.504 -33.272 4.980 3 H3 MET 1 H3 MET 1 4.858 -32.217 6.064 4 HA MET 1 HA MET 1 7.227 -32.046 6.085 5 HB2 MET 1 2HB MET 1 6.900 -31.384 3.134 6 HB3 MET 1 3HB MET 1 8.343 -31.015 4.098 7 HG2 MET 1 2HG MET 1 8.851 -33.084 3.122 8 HG3 MET 1 3HG MET 1 8.391 -33.462 4.781 9 HE1 MET 1 3HE MET 1 6.890 -35.654 5.166 10 HE2 MET 1 1HE MET 1 6.799 -36.637 3.690 11 HE3 MET 1 2HE MET 1 8.335 -35.868 4.150 12 H LYS 2 H LYS 2 5.275 -29.694 4.048 13 HA LYS 2 HA LYS 2 5.472 -27.889 6.347 14 HB2 LYS 2 2HB LYS 2 6.994 -27.504 3.972 15 HB3 LYS 2 3HB LYS 2 5.576 -26.482 3.759 16 HG2 LYS 2 2HG LYS 2 6.923 -25.011 4.931 17 HG3 LYS 2 3HG LYS 2 6.107 -25.784 6.293 18 HD2 LYS 2 2HD LYS 2 8.199 -27.505 6.026 19 HD3 LYS 2 3HD LYS 2 8.928 -26.064 5.291 20 HE2 LYS 2 2HE LYS 2 8.073 -24.818 7.422 21 HE3 LYS 2 3HE LYS 2 7.812 -26.436 8.094 22 HZ1 LYS 2 3HZ LYS 2 10.380 -25.305 7.182 23 HZ2 LYS 2 1HZ LYS 2 9.950 -25.648 8.731 24 HZ3 LYS 2 2HZ LYS 2 10.182 -26.872 7.656 25 H GLN 3 H GLN 3 3.863 -25.896 5.503 26 HA GLN 3 HA GLN 3 1.623 -26.957 3.986 27 HB2 GLN 3 2HB GLN 3 -0.008 -26.048 5.623 28 HB3 GLN 3 3HB GLN 3 0.857 -27.450 6.259 29 HG2 GLN 3 2HG GLN 3 2.179 -26.117 7.729 30 HG3 GLN 3 3HG GLN 3 1.797 -24.619 6.876 31 HE21 GLN 3 1HE2 GLN 3 0.503 -23.305 8.116 32 HE22 GLN 3 2HE2 GLN 3 -0.833 -23.917 9.075 33 H ASP 4 H ASP 4 0.339 -25.125 3.133 34 HA ASP 4 HA ASP 4 1.226 -22.423 3.616 35 HB2 ASP 4 2HB ASP 4 1.893 -22.000 1.302 36 HB3 ASP 4 3HB ASP 4 2.960 -23.202 2.020 37 H GLY 5 H GLY 5 -0.192 -20.934 2.315 38 HA2 GLY 5 2HA GLY 5 -2.305 -21.485 0.702 39 HA3 GLY 5 3HA GLY 5 -2.913 -21.896 2.327 40 H GLU 6 H GLU 6 -3.656 -19.561 0.536 41 HA GLU 6 HA GLU 6 -2.656 -17.239 1.946 42 HB2 GLU 6 2HB GLU 6 -4.747 -17.752 -0.198 43 HB3 GLU 6 3HB GLU 6 -4.499 -16.145 0.510 44 HG2 GLU 6 2HG GLU 6 -2.329 -15.928 -0.351 45 HG3 GLU 6 3HG GLU 6 -2.114 -17.666 -0.586 46 H GLU 7 H GLU 7 -3.699 -16.312 3.767 47 HA GLU 7 HA GLU 7 -6.465 -17.040 4.317 48 HB2 GLU 7 2HB GLU 7 -4.833 -18.777 5.364 49 HB3 GLU 7 3HB GLU 7 -4.323 -17.480 6.444 50 HG2 GLU 7 2HG GLU 7 -6.206 -17.668 7.710 51 HG3 GLU 7 3HG GLU 7 -7.258 -17.670 6.297 52 H GLY 8 H GLY 8 -7.429 -15.293 5.554 53 HA2 GLY 8 2HA GLY 8 -5.737 -12.843 5.535 54 HA3 GLY 8 3HA GLY 8 -7.504 -12.920 5.490 55 H THR 9 H THR 9 -5.128 -11.921 7.506 56 HA THR 9 HA THR 9 -6.810 -12.238 9.830 57 HB THR 9 HB THR 9 -5.580 -14.322 9.852 58 HG1 THR 9 1HG THR 9 -4.600 -12.761 11.991 59 HG21 THR 9 1HG2 THR 9 -3.168 -14.331 10.320 60 HG22 THR 9 2HG2 THR 9 -3.543 -13.613 8.738 61 HG23 THR 9 3HG2 THR 9 -3.126 -12.561 10.107 62 H GLU 10 H GLU 10 -5.680 -10.979 11.709 63 HA GLU 10 HA GLU 10 -5.403 -8.886 12.399 64 HB2 GLU 10 2HB GLU 10 -2.915 -9.564 10.862 65 HB3 GLU 10 3HB GLU 10 -3.112 -7.897 11.360 66 HG2 GLU 10 2HG GLU 10 -1.939 -8.849 13.103 67 HG3 GLU 10 3HG GLU 10 -3.580 -8.673 13.708 68 H GLU 11 H GLU 11 -4.613 -6.485 11.555 69 HA GLU 11 HA GLU 11 -6.498 -5.766 9.407 70 HB2 GLU 11 2HB GLU 11 -6.409 -4.467 11.524 71 HB3 GLU 11 3HB GLU 11 -4.698 -4.168 11.264 72 HG2 GLU 11 2HG GLU 11 -5.890 -2.175 10.751 73 HG3 GLU 11 3HG GLU 11 -5.267 -2.801 9.239 74 H ASP 12 H ASP 12 -3.210 -6.698 9.794 75 HA ASP 12 HA ASP 12 -2.072 -5.178 7.598 76 HB2 ASP 12 2HB ASP 12 -1.169 -7.638 9.153 77 HB3 ASP 12 3HB ASP 12 -0.248 -6.944 7.817 78 H THR 13 H THR 13 -3.862 -5.605 6.095 79 HA THR 13 HA THR 13 -4.032 -8.169 4.775 80 HB THR 13 HB THR 13 -5.790 -6.418 4.781 81 HG1 THR 13 1HG THR 13 -4.927 -7.244 2.209 82 HG21 THR 13 1HG2 THR 13 -3.941 -4.615 4.078 83 HG22 THR 13 2HG2 THR 13 -4.491 -5.052 2.455 84 HG23 THR 13 3HG2 THR 13 -5.686 -4.479 3.608 85 H GLU 14 H GLU 14 -1.600 -8.401 4.773 86 HA GLU 14 HA GLU 14 -0.219 -6.747 2.824 87 HB2 GLU 14 2HB GLU 14 1.787 -8.067 3.441 88 HB3 GLU 14 3HB GLU 14 0.967 -7.421 4.862 89 HG2 GLU 14 2HG GLU 14 0.207 -9.520 5.564 90 HG3 GLU 14 3HG GLU 14 0.356 -10.247 3.965 91 H GLU 15 H GLU 15 -2.191 -7.831 1.371 92 HA GLU 15 HA GLU 15 -0.884 -9.783 -0.317 93 HB2 GLU 15 2HB GLU 15 -2.787 -11.324 -0.124 94 HB3 GLU 15 3HB GLU 15 -1.996 -11.098 1.425 95 HG2 GLU 15 2HG GLU 15 -3.775 -9.491 2.122 96 HG3 GLU 15 3HG GLU 15 -4.597 -9.745 0.576 97 H LYS 16 H LYS 16 -1.427 -9.447 -2.385 98 HA LYS 16 HA LYS 16 -2.243 -8.570 -4.277 99 HB2 LYS 16 2HB LYS 16 -4.886 -8.493 -2.779 100 HB3 LYS 16 3HB LYS 16 -4.665 -8.329 -4.515 101 HG2 LYS 16 2HG LYS 16 -5.340 -10.553 -4.168 102 HG3 LYS 16 3HG LYS 16 -3.611 -10.647 -4.533 103 HD2 LYS 16 2HD LYS 16 -3.025 -11.204 -2.366 104 HD3 LYS 16 3HD LYS 16 -4.567 -10.610 -1.679 105 HE2 LYS 16 2HE LYS 16 -5.784 -12.423 -2.800 106 HE3 LYS 16 3HE LYS 16 -4.288 -12.995 -3.563 107 HZ1 LYS 16 3HZ LYS 16 -4.791 -12.996 -0.647 108 HZ2 LYS 16 1HZ LYS 16 -4.820 -14.297 -1.673 109 HZ3 LYS 16 2HZ LYS 16 -3.442 -13.567 -1.427 110 H CYS 17 H CYS 17 -1.230 -6.643 -4.694 111 HA CYS 17 HA CYS 17 -1.581 -4.296 -3.206 112 HB2 CYS 17 2HB CYS 17 0.277 -4.893 -4.832 113 HB3 CYS 17 3HB CYS 17 -0.805 -4.371 -6.113 114 H THR 18 H THR 18 -2.803 -2.511 -3.537 115 HA THR 18 HA THR 18 -5.184 -2.856 -5.313 116 HB THR 18 HB THR 18 -5.276 -3.069 -2.665 117 HG1 THR 18 1HG THR 18 -7.471 -2.775 -2.987 118 HG21 THR 18 1HG2 THR 18 -4.676 -0.693 -2.304 119 HG22 THR 18 2HG2 THR 18 -6.084 -0.210 -3.280 120 HG23 THR 18 3HG2 THR 18 -6.318 -1.060 -1.735 121 H ILE 19 H ILE 19 -2.569 -0.700 -4.338 122 HA ILE 19 HA ILE 19 -3.707 1.579 -5.717 123 HB ILE 19 HB ILE 19 -0.937 0.777 -4.719 124 HG12 ILE 19 2HG1 ILE 19 -1.601 3.017 -3.388 125 HG13 ILE 19 3HG1 ILE 19 -3.235 2.491 -3.685 126 HG21 ILE 19 1HG2 ILE 19 -0.217 3.055 -5.174 127 HG22 ILE 19 2HG2 ILE 19 -0.616 2.193 -6.658 128 HG23 ILE 19 3HG2 ILE 19 -1.766 3.390 -5.999 129 HD11 ILE 19 3HD1 ILE 19 -1.142 0.622 -2.511 130 HD12 ILE 19 1HD1 ILE 19 -1.960 1.836 -1.513 131 HD13 ILE 19 2HD1 ILE 19 -2.916 0.578 -2.328 132 H CYS 20 H CYS 20 -1.688 -1.266 -6.482 133 HA CYS 20 HA CYS 20 -1.284 -0.430 -9.311 134 HB2 CYS 20 2HB CYS 20 -0.779 -3.031 -7.916 135 HB3 CYS 20 3HB CYS 20 -0.340 -2.631 -9.573 136 H LEU 21 H LEU 21 -4.097 -1.278 -7.741 137 HA LEU 21 HA LEU 21 -5.836 -2.694 -8.091 138 HB2 LEU 21 2HB LEU 21 -5.477 -1.159 -10.578 139 HB3 LEU 21 3HB LEU 21 -6.669 -2.460 -10.538 140 HG LEU 21 HG LEU 21 -7.407 -1.416 -8.262 141 HD11 LEU 21 1HD1 LEU 21 -7.278 1.020 -8.239 142 HD12 LEU 21 2HD1 LEU 21 -5.639 0.345 -8.292 143 HD13 LEU 21 3HD1 LEU 21 -6.355 1.024 -9.765 144 HD21 LEU 21 3HD2 LEU 21 -9.118 -0.134 -9.516 145 HD22 LEU 21 1HD2 LEU 21 -8.132 -0.273 -10.994 146 HD23 LEU 21 2HD2 LEU 21 -8.825 -1.726 -10.236 147 H SER 22 H SER 22 -3.595 -4.296 -7.999 148 HA SER 22 HA SER 22 -4.353 -6.636 -9.475 149 HB2 SER 22 2HB SER 22 -2.146 -4.906 -10.616 150 HB3 SER 22 3HB SER 22 -1.970 -6.667 -10.671 151 HG SER 22 HG SER 22 -4.220 -5.257 -11.647 152 H ILE 23 H ILE 23 -2.910 -8.466 -9.017 153 HA ILE 23 HA ILE 23 -2.101 -8.525 -6.382 154 HB ILE 23 HB ILE 23 -1.187 -10.727 -6.935 155 HG12 ILE 23 2HG1 ILE 23 -1.996 -11.553 -9.257 156 HG13 ILE 23 3HG1 ILE 23 -1.805 -9.900 -9.821 157 HG21 ILE 23 1HG2 ILE 23 -3.648 -10.044 -6.555 158 HG22 ILE 23 2HG2 ILE 23 -3.858 -10.332 -8.287 159 HG23 ILE 23 3HG2 ILE 23 -3.292 -11.651 -7.238 160 HD11 ILE 23 3HD1 ILE 23 0.546 -9.934 -9.176 161 HD12 ILE 23 1HD1 ILE 23 0.337 -11.562 -8.466 162 HD13 ILE 23 2HD1 ILE 23 0.188 -11.321 -10.226 163 H LEU 24 H LEU 24 -0.027 -8.975 -5.406 164 HA LEU 24 HA LEU 24 2.003 -7.120 -6.273 165 HB2 LEU 24 2HB LEU 24 1.638 -9.147 -4.029 166 HB3 LEU 24 3HB LEU 24 3.233 -8.539 -4.386 167 HG LEU 24 HG LEU 24 0.860 -6.818 -3.695 168 HD11 LEU 24 1HD1 LEU 24 2.006 -6.447 -1.526 169 HD12 LEU 24 2HD1 LEU 24 1.639 -8.165 -1.756 170 HD13 LEU 24 3HD1 LEU 24 3.293 -7.569 -2.015 171 HD21 LEU 24 3HD2 LEU 24 2.588 -5.027 -3.369 172 HD22 LEU 24 1HD2 LEU 24 3.800 -6.126 -4.066 173 HD23 LEU 24 2HD2 LEU 24 2.431 -5.557 -5.042 174 H GLU 25 H GLU 25 4.234 -7.851 -6.454 175 HA GLU 25 HA GLU 25 4.578 -10.392 -7.896 176 HB2 GLU 25 2HB GLU 25 5.598 -9.266 -9.807 177 HB3 GLU 25 3HB GLU 25 3.922 -8.710 -9.590 178 HG2 GLU 25 2HG GLU 25 4.904 -6.813 -8.188 179 HG3 GLU 25 3HG GLU 25 6.489 -7.272 -8.809 180 H GLU 26 H GLU 26 6.786 -11.102 -7.822 181 HA GLU 26 HA GLU 26 8.505 -9.895 -5.849 182 HB2 GLU 26 2HB GLU 26 8.513 -12.301 -7.646 183 HB3 GLU 26 3HB GLU 26 10.095 -11.672 -7.183 184 HG2 GLU 26 2HG GLU 26 7.954 -12.226 -5.104 185 HG3 GLU 26 3HG GLU 26 9.050 -13.482 -5.690 186 H GLY 27 H GLY 27 8.655 -7.792 -6.635 187 HA2 GLY 27 2HA GLY 27 10.189 -7.430 -9.200 188 HA3 GLY 27 3HA GLY 27 9.087 -6.237 -8.495 189 H GLU 28 H GLU 28 9.734 -5.525 -6.115 190 HA GLU 28 HA GLU 28 12.574 -5.667 -5.558 191 HB2 GLU 28 2HB GLU 28 11.757 -3.555 -7.001 192 HB3 GLU 28 3HB GLU 28 11.144 -3.022 -5.443 193 HG2 GLU 28 2HG GLU 28 13.687 -3.905 -4.775 194 HG3 GLU 28 3HG GLU 28 13.950 -3.401 -6.435 195 H ASP 29 H ASP 29 12.266 -3.707 -3.490 196 HA ASP 29 HA ASP 29 11.210 -5.522 -1.474 197 HB2 ASP 29 2HB ASP 29 12.780 -2.987 -1.504 198 HB3 ASP 29 3HB ASP 29 11.609 -3.064 -0.197 199 H VAL 30 H VAL 30 9.464 -5.142 -0.063 200 HA VAL 30 HA VAL 30 7.395 -3.357 -1.181 201 HB VAL 30 HB VAL 30 5.860 -4.674 0.163 202 HG11 VAL 30 1HG1 VAL 30 7.424 -5.960 -2.066 203 HG12 VAL 30 2HG1 VAL 30 5.928 -6.666 -1.390 204 HG13 VAL 30 3HG1 VAL 30 5.888 -5.060 -2.113 205 HG21 VAL 30 3HG2 VAL 30 6.489 -6.832 1.015 206 HG22 VAL 30 1HG2 VAL 30 8.131 -6.668 0.351 207 HG23 VAL 30 2HG2 VAL 30 7.603 -5.623 1.701 208 H ARG 31 H ARG 31 5.842 -2.617 0.740 209 HA ARG 31 HA ARG 31 7.288 -2.143 3.178 210 HB2 ARG 31 2HB ARG 31 7.800 -0.251 1.280 211 HB3 ARG 31 3HB ARG 31 6.368 0.433 2.037 212 HG2 ARG 31 2HG ARG 31 8.303 1.337 3.118 213 HG3 ARG 31 3HG ARG 31 7.592 0.188 4.270 214 HD2 ARG 31 2HD ARG 31 9.252 -1.518 3.625 215 HD3 ARG 31 3HD ARG 31 9.799 -0.532 2.285 216 HE ARG 31 HE ARG 31 11.081 0.742 3.672 217 HH11 ARG 31 2HH2 ARG 31 9.019 -1.326 5.633 218 HH12 ARG 31 1HH2 ARG 31 9.733 -0.906 7.152 219 HH21 ARG 31 2HH1 ARG 31 12.082 1.330 5.682 220 HH22 ARG 31 1HH1 ARG 31 11.544 0.633 7.166 221 H ARG 32 H ARG 32 5.950 -1.792 4.944 222 HA ARG 32 HA ARG 32 3.100 -1.954 4.410 223 HB2 ARG 32 2HB ARG 32 4.390 -3.077 6.371 224 HB3 ARG 32 3HB ARG 32 4.358 -1.466 7.124 225 HG2 ARG 32 2HG ARG 32 1.842 -1.506 6.918 226 HG3 ARG 32 3HG ARG 32 1.965 -3.104 6.229 227 HD2 ARG 32 2HD ARG 32 1.699 -3.764 8.331 228 HD3 ARG 32 3HD ARG 32 3.437 -3.548 8.416 229 HE ARG 32 HE ARG 32 2.319 -1.044 9.006 230 HH11 ARG 32 2HH2 ARG 32 1.922 -4.298 10.329 231 HH12 ARG 32 1HH2 ARG 32 1.594 -3.820 11.925 232 HH21 ARG 32 2HH1 ARG 32 1.693 -0.336 11.162 233 HH22 ARG 32 1HH1 ARG 32 1.481 -1.494 12.416 234 H LEU 33 H LEU 33 1.549 -0.214 5.125 235 HA LEU 33 HA LEU 33 2.869 2.456 5.193 236 HB2 LEU 33 2HB LEU 33 -0.037 1.966 5.864 237 HB3 LEU 33 3HB LEU 33 0.760 3.426 5.313 238 HG LEU 33 HG LEU 33 1.199 1.869 3.199 239 HD11 LEU 33 1HD1 LEU 33 -1.220 0.750 4.566 240 HD12 LEU 33 2HD1 LEU 33 -1.383 1.061 2.848 241 HD13 LEU 33 3HD1 LEU 33 -0.094 -0.013 3.423 242 HD21 LEU 33 3HD2 LEU 33 0.331 4.145 3.128 243 HD22 LEU 33 1HD2 LEU 33 -0.607 3.086 2.074 244 HD23 LEU 33 2HD2 LEU 33 -1.270 3.567 3.656 245 HA PRO 34 HA PRO 34 2.969 2.023 9.641 246 HB2 PRO 34 2HB PRO 34 2.793 4.639 10.569 247 HB3 PRO 34 3HB PRO 34 4.231 3.914 9.799 248 HG2 PRO 34 2HG PRO 34 2.180 5.734 8.563 249 HG3 PRO 34 3HG PRO 34 3.946 5.722 8.337 250 HD2 PRO 34 2HD PRO 34 2.147 4.558 6.573 251 HD3 PRO 34 3HD PRO 34 3.842 4.025 6.754 252 H CYS 35 H CYS 35 0.316 2.045 8.158 253 HA CYS 35 HA CYS 35 -1.761 2.473 10.251 254 HB2 CYS 35 2HB CYS 35 -2.316 2.919 7.945 255 HB3 CYS 35 3HB CYS 35 -1.682 1.344 7.467 256 H MET 36 H MET 36 -0.501 -0.290 8.311 257 HA MET 36 HA MET 36 -0.365 -2.431 9.933 258 HB2 MET 36 2HB MET 36 -3.151 -1.330 9.967 259 HB3 MET 36 3HB MET 36 -2.967 -3.053 9.694 260 HG2 MET 36 2HG MET 36 -2.197 -3.507 11.783 261 HG3 MET 36 3HG MET 36 -1.377 -1.969 11.962 262 HE1 MET 36 3HE MET 36 -2.057 -1.787 14.453 263 HE2 MET 36 1HE MET 36 -3.722 -1.945 15.059 264 HE3 MET 36 2HE MET 36 -2.898 -3.355 14.353 265 H HIS 37 H HIS 37 -2.567 -1.271 7.313 266 HA HIS 37 HA HIS 37 -2.427 -3.675 5.821 267 HB2 HIS 37 1HB HIS 37 -2.972 -0.840 4.910 268 HB3 HIS 37 2HB HIS 37 -3.429 -2.278 4.069 269 HD2 HIS 37 2HD HIS 37 -5.138 -4.018 5.628 270 HE1 HIS 37 1HE HIS 37 -7.252 -0.932 7.508 271 HE2 HIS 37 2HE HIS 37 -7.222 -3.400 6.984 272 H LEU 38 H LEU 38 -1.130 -4.092 3.895 273 HA LEU 38 HA LEU 38 1.398 -2.531 3.844 274 HB2 LEU 38 2HB LEU 38 1.778 -4.643 4.900 275 HB3 LEU 38 3HB LEU 38 1.032 -5.500 3.605 276 HG LEU 38 HG LEU 38 3.442 -3.873 3.003 277 HD11 LEU 38 1HD1 LEU 38 4.904 -5.775 3.622 278 HD12 LEU 38 2HD1 LEU 38 4.091 -5.069 5.032 279 HD13 LEU 38 3HD1 LEU 38 3.512 -6.597 4.353 280 HD21 LEU 38 3HD2 LEU 38 2.045 -5.371 1.274 281 HD22 LEU 38 1HD2 LEU 38 3.815 -5.422 1.255 282 HD23 LEU 38 2HD2 LEU 38 2.892 -6.702 2.047 283 H PHE 39 H PHE 39 2.619 -2.547 1.741 284 HA PHE 39 HA PHE 39 1.182 -3.467 -0.631 285 HB2 PHE 39 2HB PHE 39 1.570 -0.514 0.004 286 HB3 PHE 39 3HB PHE 39 1.376 -1.061 -1.652 287 HD1 PHE 39 1HD PHE 39 -0.567 -2.876 -1.965 288 HD2 PHE 39 2HD PHE 39 -0.411 0.111 1.092 289 HE1 PHE 39 1HE PHE 39 -3.034 -3.135 -1.604 290 HE2 PHE 39 2HE PHE 39 -2.858 -0.142 1.469 291 HZ PHE 39 HZ PHE 39 -4.180 -1.684 0.000 292 H HIS 40 H HIS 40 2.558 -2.316 -2.655 293 HA HIS 40 HA HIS 40 5.336 -3.181 -2.454 294 HB2 HIS 40 1HB HIS 40 3.866 -1.368 -4.351 295 HB3 HIS 40 2HB HIS 40 5.589 -1.575 -4.451 296 HD2 HIS 40 2HD HIS 40 6.443 -4.170 -5.047 297 HE1 HIS 40 1HE HIS 40 3.259 -4.431 -7.858 298 HE2 HIS 40 2HE HIS 40 5.530 -5.331 -7.213 299 H GLN 41 H GLN 41 7.137 -1.875 -2.119 300 HA GLN 41 HA GLN 41 6.869 0.434 -0.497 301 HB2 GLN 41 2HB GLN 41 8.902 -1.059 -0.576 302 HB3 GLN 41 3HB GLN 41 9.138 -0.623 -2.257 303 HG2 GLN 41 2HG GLN 41 9.118 1.791 -0.627 304 HG3 GLN 41 3HG GLN 41 10.253 0.615 0.039 305 HE21 GLN 41 1HE2 GLN 41 11.591 -0.631 -1.890 306 HE22 GLN 41 2HE2 GLN 41 12.219 0.393 -3.090 307 H VAL 42 H VAL 42 7.833 0.065 -3.901 308 HA VAL 42 HA VAL 42 7.895 2.840 -4.402 309 HB VAL 42 HB VAL 42 8.449 0.576 -5.824 310 HG11 VAL 42 1HG1 VAL 42 6.143 0.363 -6.718 311 HG12 VAL 42 2HG1 VAL 42 6.302 1.979 -7.456 312 HG13 VAL 42 3HG1 VAL 42 7.350 0.654 -7.981 313 HG21 VAL 42 3HG2 VAL 42 9.659 2.698 -5.932 314 HG22 VAL 42 1HG2 VAL 42 9.284 2.131 -7.569 315 HG23 VAL 42 2HG2 VAL 42 8.323 3.440 -6.842 316 H CYS 43 H CYS 43 5.153 0.806 -3.992 317 HA CYS 43 HA CYS 43 3.227 2.639 -5.454 318 HB2 CYS 43 2HB CYS 43 2.877 0.283 -3.610 319 HB3 CYS 43 3HB CYS 43 1.597 1.312 -4.181 320 H VAL 44 H VAL 44 4.377 1.904 -2.053 321 HA VAL 44 HA VAL 44 2.294 3.374 -0.853 322 HB VAL 44 HB VAL 44 4.321 1.712 -0.054 323 HG11 VAL 44 1HG1 VAL 44 5.087 4.402 1.119 324 HG12 VAL 44 2HG1 VAL 44 5.765 2.812 1.523 325 HG13 VAL 44 3HG1 VAL 44 6.018 3.487 -0.092 326 HG21 VAL 44 3HG2 VAL 44 3.495 2.102 2.219 327 HG22 VAL 44 1HG2 VAL 44 2.703 3.605 1.672 328 HG23 VAL 44 2HG2 VAL 44 2.181 2.026 1.026 329 H ASP 45 H ASP 45 5.196 4.215 -2.432 330 HA ASP 45 HA ASP 45 5.471 6.965 -1.450 331 HB2 ASP 45 2HB ASP 45 7.448 5.913 -2.367 332 HB3 ASP 45 3HB ASP 45 6.616 5.490 -3.861 333 H GLN 46 H GLN 46 4.749 5.965 -4.848 334 HA GLN 46 HA GLN 46 3.684 8.469 -5.488 335 HB2 GLN 46 2HB GLN 46 2.957 5.789 -6.762 336 HB3 GLN 46 3HB GLN 46 2.669 7.393 -7.458 337 HG2 GLN 46 2HG GLN 46 5.224 7.773 -7.163 338 HG3 GLN 46 3HG GLN 46 5.330 6.018 -6.959 339 HE21 GLN 46 1HE2 GLN 46 5.604 8.435 -9.249 340 HE22 GLN 46 2HE2 GLN 46 5.148 7.494 -10.667 341 H TRP 47 H TRP 47 2.132 5.793 -3.881 342 HA TRP 47 HA TRP 47 -0.547 6.713 -4.079 343 HB2 TRP 47 2HB TRP 47 0.095 4.444 -3.301 344 HB3 TRP 47 3HB TRP 47 0.783 5.140 -1.830 345 HD1 TRP 47 HD1 TRP 47 -0.848 4.786 0.102 346 HE1 TRP 47 HE1 TRP 47 -3.417 4.885 0.423 347 HE3 TRP 47 HE3 TRP 47 -2.311 5.859 -4.707 348 HZ2 TRP 47 HZ2 TRP 47 -5.686 5.011 -1.185 349 HZ3 TRP 47 HZ3 TRP 47 -4.680 6.181 -5.226 350 HH2 TRP 47 HH2 TRP 47 -6.432 5.707 -3.508 351 H LEU 48 H LEU 48 1.879 7.143 -1.431 352 HA LEU 48 HA LEU 48 0.389 8.825 0.172 353 HB2 LEU 48 2HB LEU 48 3.232 8.119 -0.233 354 HB3 LEU 48 3HB LEU 48 3.074 9.735 0.328 355 HG LEU 48 HG LEU 48 1.796 7.301 1.657 356 HD11 LEU 48 1HD1 LEU 48 3.554 7.617 3.374 357 HD12 LEU 48 2HD1 LEU 48 4.251 7.278 1.777 358 HD13 LEU 48 3HD1 LEU 48 4.254 8.940 2.408 359 HD21 LEU 48 3HD2 LEU 48 2.010 10.217 2.548 360 HD22 LEU 48 1HD2 LEU 48 0.517 9.315 2.218 361 HD23 LEU 48 2HD2 LEU 48 1.510 8.877 3.607 362 H ILE 49 H ILE 49 2.304 9.681 -2.701 363 HA ILE 49 HA ILE 49 2.088 12.488 -2.529 364 HB ILE 49 HB ILE 49 2.237 10.640 -4.910 365 HG12 ILE 49 2HG1 ILE 49 4.121 10.423 -3.291 366 HG13 ILE 49 3HG1 ILE 49 4.546 10.913 -4.918 367 HG21 ILE 49 1HG2 ILE 49 2.622 13.628 -4.753 368 HG22 ILE 49 2HG2 ILE 49 3.174 12.605 -6.107 369 HG23 ILE 49 3HG2 ILE 49 1.447 12.726 -5.734 370 HD11 ILE 49 3HD1 ILE 49 4.823 13.202 -4.244 371 HD12 ILE 49 1HD1 ILE 49 4.221 12.833 -2.606 372 HD13 ILE 49 2HD1 ILE 49 5.766 12.152 -3.166 373 H THR 50 H THR 50 -0.193 10.016 -3.957 374 HA THR 50 HA THR 50 -2.072 12.043 -4.802 375 HB THR 50 HB THR 50 -1.428 9.182 -5.230 376 HG1 THR 50 1HG THR 50 -1.826 9.811 -7.243 377 HG21 THR 50 1HG2 THR 50 -4.312 10.027 -5.153 378 HG22 THR 50 2HG2 THR 50 -3.683 8.699 -6.168 379 HG23 THR 50 3HG2 THR 50 -3.496 8.610 -4.420 380 H ASN 51 H ASN 51 -2.550 9.116 -2.691 381 HA ASN 51 HA ASN 51 -4.555 10.677 -1.159 382 HB2 ASN 51 2HB ASN 51 -4.134 7.804 -1.886 383 HB3 ASN 51 3HB ASN 51 -4.862 8.132 -0.316 384 HD21 ASN 51 1HD2 ASN 51 -7.057 7.731 -0.554 385 HD22 ASN 51 2HD2 ASN 51 -8.001 8.448 -1.855 386 H LYS 52 H LYS 52 -4.009 11.333 0.844 387 HA LYS 52 HA LYS 52 -1.591 10.176 2.139 388 HB2 LYS 52 2HB LYS 52 -3.214 12.693 2.669 389 HB3 LYS 52 3HB LYS 52 -1.766 12.224 3.577 390 HG2 LYS 52 2HG LYS 52 -0.315 12.669 1.819 391 HG3 LYS 52 3HG LYS 52 -1.484 12.243 0.593 392 HD2 LYS 52 2HD LYS 52 -2.726 14.463 1.335 393 HD3 LYS 52 3HD LYS 52 -1.130 14.873 1.978 394 HE2 LYS 52 2HE LYS 52 -1.164 15.713 -0.267 395 HE3 LYS 52 3HE LYS 52 -0.170 14.244 -0.306 396 HZ1 LYS 52 3HZ LYS 52 -1.635 14.189 -2.142 397 HZ2 LYS 52 1HZ LYS 52 -2.138 13.056 -1.139 398 HZ3 LYS 52 2HZ LYS 52 -2.977 14.460 -1.219 399 H LYS 53 H LYS 53 -3.985 8.593 1.933 400 HA LYS 53 HA LYS 53 -4.768 8.223 4.727 401 HB2 LYS 53 2HB LYS 53 -6.809 8.405 2.455 402 HB3 LYS 53 3HB LYS 53 -7.105 8.145 4.169 403 HG2 LYS 53 2HG LYS 53 -6.104 10.462 4.589 404 HG3 LYS 53 3HG LYS 53 -6.106 10.690 2.834 405 HD2 LYS 53 2HD LYS 53 -8.098 11.704 3.552 406 HD3 LYS 53 3HD LYS 53 -8.617 10.140 2.901 407 HE2 LYS 53 2HE LYS 53 -9.563 9.635 4.920 408 HE3 LYS 53 3HE LYS 53 -7.947 9.701 5.633 409 HZ1 LYS 53 3HZ LYS 53 -9.157 11.237 6.816 410 HZ2 LYS 53 1HZ LYS 53 -8.226 12.092 5.870 411 HZ3 LYS 53 2HZ LYS 53 -9.831 11.967 5.472 412 H CYS 54 H CYS 54 -5.802 6.110 4.899 413 HA CYS 54 HA CYS 54 -4.149 4.112 3.507 414 HB2 CYS 54 2HB CYS 54 -5.063 4.107 5.878 415 HB3 CYS 54 3HB CYS 54 -6.649 3.777 5.151 416 HA PRO 55 HA PRO 55 -7.042 3.688 0.094 417 HB2 PRO 55 2HB PRO 55 -6.104 1.463 -1.131 418 HB3 PRO 55 3HB PRO 55 -5.139 2.931 -1.119 419 HG2 PRO 55 2HG PRO 55 -4.909 0.584 0.710 420 HG3 PRO 55 3HG PRO 55 -3.608 1.464 -0.161 421 HD2 PRO 55 2HD PRO 55 -4.237 1.936 2.452 422 HD3 PRO 55 3HD PRO 55 -3.605 3.202 1.397 423 H ILE 56 H ILE 56 -6.661 1.365 2.702 424 HA ILE 56 HA ILE 56 -9.140 -0.057 1.879 425 HB ILE 56 HB ILE 56 -6.964 -0.716 3.870 426 HG12 ILE 56 2HG1 ILE 56 -7.598 -2.744 1.865 427 HG13 ILE 56 3HG1 ILE 56 -7.230 -1.217 1.058 428 HG21 ILE 56 1HG2 ILE 56 -9.546 -2.213 3.269 429 HG22 ILE 56 2HG2 ILE 56 -8.171 -2.883 4.176 430 HG23 ILE 56 3HG2 ILE 56 -9.064 -1.507 4.827 431 HD11 ILE 56 3HD1 ILE 56 -5.108 -1.039 2.202 432 HD12 ILE 56 1HD1 ILE 56 -5.524 -2.373 3.270 433 HD13 ILE 56 2HD1 ILE 56 -5.233 -2.710 1.563 434 H CYS 57 H CYS 57 -7.678 0.919 5.059 435 HA CYS 57 HA CYS 57 -10.286 1.200 6.257 436 HB2 CYS 57 2HB CYS 57 -9.017 2.203 8.119 437 HB3 CYS 57 3HB CYS 57 -8.560 0.595 7.693 438 H ARG 58 H ARG 58 -8.555 3.397 4.174 439 HA ARG 58 HA ARG 58 -9.164 5.407 3.365 440 HB2 ARG 58 2HB ARG 58 -11.410 3.922 3.567 441 HB3 ARG 58 3HB ARG 58 -11.900 5.290 4.562 442 HG2 ARG 58 2HG ARG 58 -10.850 5.418 1.686 443 HG3 ARG 58 3HG ARG 58 -12.553 5.481 2.173 444 HD2 ARG 58 2HD ARG 58 -12.026 7.500 3.555 445 HD3 ARG 58 3HD ARG 58 -10.393 7.510 2.838 446 HE ARG 58 HE ARG 58 -12.030 7.456 0.656 447 HH11 ARG 58 2HH2 ARG 58 -11.888 9.489 3.513 448 HH12 ARG 58 1HH2 ARG 58 -12.447 10.940 2.742 449 HH21 ARG 58 2HH1 ARG 58 -12.787 9.382 -0.442 450 HH22 ARG 58 1HH1 ARG 58 -12.955 10.866 0.418 451 H VAL 59 H VAL 59 -8.053 5.222 6.195 452 HA VAL 59 HA VAL 59 -8.942 7.921 7.091 453 HB VAL 59 HB VAL 59 -8.576 7.378 9.263 454 HG11 VAL 59 1HG1 VAL 59 -9.520 4.724 8.197 455 HG12 VAL 59 2HG1 VAL 59 -10.028 5.514 9.703 456 HG13 VAL 59 3HG1 VAL 59 -10.534 6.190 8.132 457 HG21 VAL 59 3HG2 VAL 59 -6.444 6.338 9.311 458 HG22 VAL 59 1HG2 VAL 59 -7.572 5.222 10.089 459 HG23 VAL 59 2HG2 VAL 59 -7.034 4.907 8.422 460 H ASP 60 H ASP 60 -7.250 9.306 8.044 461 HA ASP 60 HA ASP 60 -4.888 9.195 6.455 462 HB2 ASP 60 2HB ASP 60 -5.213 10.833 9.007 463 HB3 ASP 60 3HB ASP 60 -4.330 11.217 7.552 464 H ILE 61 H ILE 61 -3.163 7.942 6.952 465 HA ILE 61 HA ILE 61 -3.085 6.186 8.948 466 HB ILE 61 HB ILE 61 -0.602 7.424 7.746 467 HG12 ILE 61 2HG1 ILE 61 -1.229 5.149 6.277 468 HG13 ILE 61 3HG1 ILE 61 -2.827 5.803 6.559 469 HG21 ILE 61 1HG2 ILE 61 -0.114 5.906 9.544 470 HG22 ILE 61 2HG2 ILE 61 -1.335 4.756 8.981 471 HG23 ILE 61 3HG2 ILE 61 0.147 5.013 8.028 472 HD11 ILE 61 3HD1 ILE 61 -0.431 7.138 5.238 473 HD12 ILE 61 1HD1 ILE 61 -1.999 6.735 4.500 474 HD13 ILE 61 2HD1 ILE 61 -1.876 8.049 5.690 475 H GLU 62 H GLU 62 -1.953 9.530 9.118 476 HA GLU 62 HA GLU 62 -2.392 9.907 11.728 477 HB2 GLU 62 2HB GLU 62 0.046 10.306 12.437 478 HB3 GLU 62 3HB GLU 62 -0.609 8.669 12.532 479 HG2 GLU 62 2HG GLU 62 0.661 7.870 10.739 480 HG3 GLU 62 3HG GLU 62 0.941 9.473 10.067 481 H ALA 63 H ALA 63 -2.854 12.047 11.610 482 HA ALA 63 HA ALA 63 -2.948 14.185 10.857 483 HB1 ALA 63 1HB ALA 63 0.079 13.957 11.086 484 HB2 ALA 63 2HB ALA 63 -0.914 15.422 11.316 485 HB3 ALA 63 3HB ALA 63 -1.025 14.086 12.467 486 H GLN 64 H GLN 64 -0.498 15.376 9.339 487 HA GLN 64 HA GLN 64 -1.217 14.429 6.616 488 HB2 GLN 64 2HB GLN 64 -0.306 17.094 7.713 489 HB3 GLN 64 3HB GLN 64 0.431 16.562 6.213 490 HG2 GLN 64 2HG GLN 64 -1.315 17.732 5.379 491 HG3 GLN 64 3HG GLN 64 -2.004 16.113 5.379 492 HE21 GLN 64 1HE2 GLN 64 -3.081 19.076 5.696 493 HE22 GLN 64 2HE2 GLN 64 -4.161 18.885 7.073 494 H LEU 65 H LEU 65 0.695 14.217 5.200 495 HA LEU 65 HA LEU 65 2.714 12.588 6.302 496 HB2 LEU 65 2HB LEU 65 3.666 12.565 4.123 497 HB3 LEU 65 3HB LEU 65 1.932 12.574 3.951 498 HG LEU 65 HG LEU 65 2.753 13.883 2.242 499 HD11 LEU 65 1HD1 LEU 65 1.920 15.971 4.276 500 HD12 LEU 65 2HD1 LEU 65 1.887 16.118 2.518 501 HD13 LEU 65 3HD1 LEU 65 0.818 14.951 3.309 502 HD21 LEU 65 3HD2 LEU 65 4.379 15.722 4.007 503 HD22 LEU 65 1HD2 LEU 65 5.055 14.267 3.229 504 HD23 LEU 65 2HD2 LEU 65 4.371 15.577 2.255 505 HA PRO 66 HA PRO 66 5.654 15.630 7.778 506 HB2 PRO 66 2HB PRO 66 8.005 14.223 7.591 507 HB3 PRO 66 3HB PRO 66 6.752 13.885 8.819 508 HG2 PRO 66 2HG PRO 66 7.260 12.392 6.239 509 HG3 PRO 66 3HG PRO 66 6.874 11.744 7.855 510 HD2 PRO 66 2HD PRO 66 5.004 12.071 5.859 511 HD3 PRO 66 3HD PRO 66 4.598 12.177 7.597 512 H SER 67 H SER 67 7.552 14.022 5.266 513 HA SER 67 HA SER 67 7.663 15.529 3.078 514 HB2 SER 67 2HB SER 67 7.583 17.645 4.204 515 HB3 SER 67 3HB SER 67 8.797 17.134 5.390 516 HG SER 67 HG SER 67 9.687 18.458 3.752 517 H GLU 68 H GLU 68 8.811 13.822 2.256 518 HA GLU 68 HA GLU 68 11.597 13.596 2.996 519 HB2 GLU 68 2HB GLU 68 10.307 11.894 4.426 520 HB3 GLU 68 3HB GLU 68 9.830 11.102 2.917 521 HG2 GLU 68 2HG GLU 68 12.209 10.709 2.366 522 HG3 GLU 68 3HG GLU 68 12.707 11.640 3.785 523 H SER 69 H SER 69 12.688 13.379 0.923 524 HA SER 69 HA SER 69 11.326 12.478 -1.418 525 HB2 SER 69 2HB SER 69 10.175 14.701 -1.013 526 HB3 SER 69 3HB SER 69 11.772 15.480 -1.081 527 HG SER 69 HG SER 69 11.930 14.345 -3.189 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -19.331 -15.157 -0.132 2 H2 MET 1 H2 MET 1 -17.731 -15.034 0.247 3 H3 MET 1 H3 MET 1 -18.841 -15.293 1.434 4 HA MET 1 HA MET 1 -18.140 -13.048 1.511 5 HB2 MET 1 2HB MET 1 -18.492 -11.532 -0.357 6 HB3 MET 1 3HB MET 1 -17.414 -12.850 -0.805 7 HG2 MET 1 2HG MET 1 -19.399 -13.980 -1.936 8 HG3 MET 1 3HG MET 1 -20.318 -12.504 -1.646 9 HE1 MET 1 3HE MET 1 -20.072 -11.712 -5.261 10 HE2 MET 1 1HE MET 1 -20.684 -13.109 -4.346 11 HE3 MET 1 2HE MET 1 -20.969 -11.454 -3.751 12 H LYS 2 H LYS 2 -19.891 -13.710 3.164 13 HA LYS 2 HA LYS 2 -22.317 -12.244 2.469 14 HB2 LYS 2 2HB LYS 2 -22.380 -14.912 1.840 15 HB3 LYS 2 3HB LYS 2 -22.829 -15.020 3.523 16 HG2 LYS 2 2HG LYS 2 -24.934 -14.518 2.899 17 HG3 LYS 2 3HG LYS 2 -24.405 -12.879 2.528 18 HD2 LYS 2 2HD LYS 2 -24.426 -15.252 0.611 19 HD3 LYS 2 3HD LYS 2 -25.589 -13.909 0.632 20 HE2 LYS 2 2HE LYS 2 -23.630 -12.345 0.188 21 HE3 LYS 2 3HE LYS 2 -22.629 -13.787 -0.017 22 HZ1 LYS 2 3HZ LYS 2 -24.031 -14.460 -1.836 23 HZ2 LYS 2 1HZ LYS 2 -24.981 -13.127 -1.657 24 HZ3 LYS 2 2HZ LYS 2 -23.411 -12.960 -2.110 25 H GLN 3 H GLN 3 -20.766 -11.117 3.940 26 HA GLN 3 HA GLN 3 -19.776 -10.569 5.847 27 HB2 GLN 3 2HB GLN 3 -22.438 -11.224 6.687 28 HB3 GLN 3 3HB GLN 3 -21.348 -11.903 7.888 29 HG2 GLN 3 2HG GLN 3 -22.012 -9.563 8.399 30 HG3 GLN 3 3HG GLN 3 -20.264 -9.723 8.186 31 HE21 GLN 3 1HE2 GLN 3 -19.524 -7.832 7.188 32 HE22 GLN 3 2HE2 GLN 3 -20.324 -7.123 5.792 33 H ASP 4 H ASP 4 -19.166 -11.742 8.115 34 HA ASP 4 HA ASP 4 -17.231 -12.621 8.793 35 HB2 ASP 4 2HB ASP 4 -19.229 -14.869 8.502 36 HB3 ASP 4 3HB ASP 4 -17.769 -14.958 9.504 37 H GLY 5 H GLY 5 -16.819 -15.721 8.026 38 HA2 GLY 5 2HA GLY 5 -15.421 -15.874 5.648 39 HA3 GLY 5 3HA GLY 5 -14.360 -15.001 6.784 40 H GLU 6 H GLU 6 -12.972 -16.441 7.826 41 HA GLU 6 HA GLU 6 -14.154 -18.690 9.175 42 HB2 GLU 6 2HB GLU 6 -12.920 -19.133 6.667 43 HB3 GLU 6 3HB GLU 6 -11.714 -19.654 7.850 44 HG2 GLU 6 2HG GLU 6 -13.270 -21.190 8.880 45 HG3 GLU 6 3HG GLU 6 -14.630 -20.512 7.976 46 H GLU 7 H GLU 7 -10.726 -17.765 8.339 47 HA GLU 7 HA GLU 7 -10.444 -16.503 10.947 48 HB2 GLU 7 2HB GLU 7 -8.584 -17.960 11.631 49 HB3 GLU 7 3HB GLU 7 -10.096 -18.853 11.492 50 HG2 GLU 7 2HG GLU 7 -9.254 -19.484 9.081 51 HG3 GLU 7 3HG GLU 7 -7.681 -18.931 9.659 52 H GLY 8 H GLY 8 -8.463 -15.222 11.014 53 HA2 GLY 8 2HA GLY 8 -6.332 -14.954 9.453 54 HA3 GLY 8 3HA GLY 8 -7.580 -14.430 8.310 55 H THR 9 H THR 9 -5.519 -13.380 10.882 56 HA THR 9 HA THR 9 -6.388 -10.705 10.468 57 HB THR 9 HB THR 9 -8.112 -11.222 12.049 58 HG1 THR 9 1HG THR 9 -7.551 -9.683 13.596 59 HG21 THR 9 1HG2 THR 9 -5.878 -12.098 13.903 60 HG22 THR 9 2HG2 THR 9 -7.603 -11.962 14.331 61 HG23 THR 9 3HG2 THR 9 -7.076 -13.161 13.132 62 H GLU 10 H GLU 10 -4.651 -9.281 11.049 63 HA GLU 10 HA GLU 10 -2.416 -10.074 12.624 64 HB2 GLU 10 2HB GLU 10 -2.377 -10.698 9.731 65 HB3 GLU 10 3HB GLU 10 -1.108 -9.563 10.148 66 HG2 GLU 10 2HG GLU 10 -1.535 -12.223 11.577 67 HG3 GLU 10 3HG GLU 10 -0.427 -11.966 10.233 68 H GLU 11 H GLU 11 -0.753 -8.225 12.429 69 HA GLU 11 HA GLU 11 -1.942 -5.595 12.201 70 HB2 GLU 11 2HB GLU 11 0.037 -6.071 13.620 71 HB3 GLU 11 3HB GLU 11 0.971 -6.521 12.194 72 HG2 GLU 11 2HG GLU 11 0.650 -4.168 11.314 73 HG3 GLU 11 3HG GLU 11 -0.164 -3.766 12.829 74 H ASP 12 H ASP 12 0.492 -7.261 10.330 75 HA ASP 12 HA ASP 12 0.025 -5.643 7.913 76 HB2 ASP 12 2HB ASP 12 1.938 -7.939 8.556 77 HB3 ASP 12 3HB ASP 12 1.857 -7.107 6.989 78 H THR 13 H THR 13 -2.290 -6.416 7.859 79 HA THR 13 HA THR 13 -2.514 -9.009 6.469 80 HB THR 13 HB THR 13 -4.477 -7.781 7.547 81 HG1 THR 13 1HG THR 13 -5.802 -8.695 5.948 82 HG21 THR 13 1HG2 THR 13 -4.100 -5.604 6.353 83 HG22 THR 13 2HG2 THR 13 -4.542 -6.427 4.824 84 HG23 THR 13 3HG2 THR 13 -5.736 -6.276 6.140 85 H GLU 14 H GLU 14 -1.327 -9.306 4.676 86 HA GLU 14 HA GLU 14 -0.926 -7.027 2.845 87 HB2 GLU 14 2HB GLU 14 0.717 -8.527 1.731 88 HB3 GLU 14 3HB GLU 14 1.183 -8.090 3.376 89 HG2 GLU 14 2HG GLU 14 0.725 -10.234 4.244 90 HG3 GLU 14 3HG GLU 14 -0.166 -10.741 2.806 91 H GLU 15 H GLU 15 -1.953 -7.143 0.822 92 HA GLU 15 HA GLU 15 -2.788 -9.734 -0.077 93 HB2 GLU 15 2HB GLU 15 -4.734 -8.411 1.325 94 HB3 GLU 15 3HB GLU 15 -5.008 -7.735 -0.280 95 HG2 GLU 15 2HG GLU 15 -5.031 -10.192 -1.119 96 HG3 GLU 15 3HG GLU 15 -5.031 -10.668 0.574 97 H LYS 16 H LYS 16 -4.095 -9.120 -2.322 98 HA LYS 16 HA LYS 16 -2.300 -8.242 -4.176 99 HB2 LYS 16 2HB LYS 16 -4.364 -7.729 -5.629 100 HB3 LYS 16 3HB LYS 16 -4.138 -9.378 -5.010 101 HG2 LYS 16 2HG LYS 16 -5.761 -9.163 -3.364 102 HG3 LYS 16 3HG LYS 16 -5.797 -7.391 -3.482 103 HD2 LYS 16 2HD LYS 16 -7.005 -7.475 -5.549 104 HD3 LYS 16 3HD LYS 16 -6.629 -9.194 -5.785 105 HE2 LYS 16 2HE LYS 16 -8.985 -8.835 -5.008 106 HE3 LYS 16 3HE LYS 16 -8.013 -9.864 -3.942 107 HZ1 LYS 16 3HZ LYS 16 -8.685 -7.035 -3.428 108 HZ2 LYS 16 1HZ LYS 16 -9.145 -8.389 -2.564 109 HZ3 LYS 16 2HZ LYS 16 -7.629 -7.946 -2.543 110 H CYS 17 H CYS 17 -1.681 -6.281 -5.199 111 HA CYS 17 HA CYS 17 -1.922 -3.962 -3.595 112 HB2 CYS 17 2HB CYS 17 -0.041 -4.685 -5.189 113 HB3 CYS 17 3HB CYS 17 -1.062 -3.991 -6.456 114 H THR 18 H THR 18 -3.195 -2.204 -3.921 115 HA THR 18 HA THR 18 -5.467 -2.501 -5.828 116 HB THR 18 HB THR 18 -6.563 -0.891 -4.252 117 HG1 THR 18 1HG THR 18 -5.605 -0.621 -2.254 118 HG21 THR 18 1HG2 THR 18 -7.073 -2.594 -2.534 119 HG22 THR 18 2HG2 THR 18 -6.972 -3.357 -4.134 120 HG23 THR 18 3HG2 THR 18 -5.623 -3.514 -2.990 121 H ILE 19 H ILE 19 -2.800 -0.441 -4.743 122 HA ILE 19 HA ILE 19 -3.619 1.855 -6.261 123 HB ILE 19 HB ILE 19 -0.967 0.919 -5.069 124 HG12 ILE 19 2HG1 ILE 19 -1.693 3.173 -3.709 125 HG13 ILE 19 3HG1 ILE 19 -3.298 2.575 -4.050 126 HG21 ILE 19 1HG2 ILE 19 -0.486 2.366 -6.932 127 HG22 ILE 19 2HG2 ILE 19 -1.664 3.572 -6.350 128 HG23 ILE 19 3HG2 ILE 19 -0.177 3.221 -5.421 129 HD11 ILE 19 3HD1 ILE 19 -2.285 1.833 -1.882 130 HD12 ILE 19 1HD1 ILE 19 -2.761 0.464 -2.909 131 HD13 ILE 19 2HD1 ILE 19 -1.048 0.937 -2.768 132 H CYS 20 H CYS 20 -1.669 -1.069 -6.851 133 HA CYS 20 HA CYS 20 -1.033 -0.229 -9.628 134 HB2 CYS 20 2HB CYS 20 -0.593 -2.858 -8.271 135 HB3 CYS 20 3HB CYS 20 0.018 -2.363 -9.841 136 H LEU 21 H LEU 21 -3.937 -0.981 -8.367 137 HA LEU 21 HA LEU 21 -5.666 -2.397 -8.770 138 HB2 LEU 21 2HB LEU 21 -5.098 -1.092 -11.365 139 HB3 LEU 21 3HB LEU 21 -6.407 -2.270 -11.198 140 HG LEU 21 HG LEU 21 -7.105 -0.950 -9.097 141 HD11 LEU 21 1HD1 LEU 21 -5.168 0.607 -9.124 142 HD12 LEU 21 2HD1 LEU 21 -5.700 1.244 -10.689 143 HD13 LEU 21 3HD1 LEU 21 -6.711 1.461 -9.238 144 HD21 LEU 21 3HD2 LEU 21 -8.597 0.438 -10.512 145 HD22 LEU 21 1HD2 LEU 21 -7.568 0.096 -11.924 146 HD23 LEU 21 2HD2 LEU 21 -8.461 -1.219 -11.127 147 H SER 22 H SER 22 -3.570 -4.096 -8.388 148 HA SER 22 HA SER 22 -4.286 -6.443 -9.879 149 HB2 SER 22 2HB SER 22 -1.876 -4.883 -10.820 150 HB3 SER 22 3HB SER 22 -1.770 -6.649 -10.774 151 HG SER 22 HG SER 22 -3.807 -5.184 -12.080 152 H ILE 23 H ILE 23 -3.026 -8.337 -9.258 153 HA ILE 23 HA ILE 23 -2.327 -8.593 -6.604 154 HB ILE 23 HB ILE 23 -1.232 -10.682 -7.322 155 HG12 ILE 23 2HG1 ILE 23 -2.016 -11.345 -9.731 156 HG13 ILE 23 3HG1 ILE 23 -1.845 -9.645 -10.126 157 HG21 ILE 23 1HG2 ILE 23 -4.038 -10.128 -8.335 158 HG22 ILE 23 2HG2 ILE 23 -3.330 -11.728 -8.012 159 HG23 ILE 23 3HG2 ILE 23 -3.549 -10.599 -6.686 160 HD11 ILE 23 3HD1 ILE 23 0.289 -11.395 -8.869 161 HD12 ILE 23 1HD1 ILE 23 0.196 -10.962 -10.594 162 HD13 ILE 23 2HD1 ILE 23 0.485 -9.698 -9.381 163 H LEU 24 H LEU 24 -0.315 -8.887 -5.505 164 HA LEU 24 HA LEU 24 1.732 -7.012 -6.232 165 HB2 LEU 24 2HB LEU 24 1.263 -9.116 -4.085 166 HB3 LEU 24 3HB LEU 24 2.874 -8.479 -4.325 167 HG LEU 24 HG LEU 24 0.442 -6.779 -3.789 168 HD11 LEU 24 1HD1 LEU 24 0.974 -8.183 -1.818 169 HD12 LEU 24 2HD1 LEU 24 2.664 -7.635 -1.877 170 HD13 LEU 24 3HD1 LEU 24 1.361 -6.486 -1.498 171 HD21 LEU 24 3HD2 LEU 24 2.152 -5.493 -4.906 172 HD22 LEU 24 1HD2 LEU 24 2.146 -5.031 -3.206 173 HD23 LEU 24 2HD2 LEU 24 3.410 -6.123 -3.819 174 H GLU 25 H GLU 25 3.970 -7.743 -6.371 175 HA GLU 25 HA GLU 25 4.343 -10.210 -7.933 176 HB2 GLU 25 2HB GLU 25 5.457 -8.978 -9.757 177 HB3 GLU 25 3HB GLU 25 3.735 -8.564 -9.626 178 HG2 GLU 25 2HG GLU 25 4.351 -6.595 -8.255 179 HG3 GLU 25 3HG GLU 25 6.066 -6.931 -8.535 180 H GLU 26 H GLU 26 6.505 -10.941 -7.858 181 HA GLU 26 HA GLU 26 8.197 -9.947 -5.762 182 HB2 GLU 26 2HB GLU 26 8.503 -12.054 -7.948 183 HB3 GLU 26 3HB GLU 26 9.718 -11.772 -6.696 184 HG2 GLU 26 2HG GLU 26 6.833 -12.519 -6.048 185 HG3 GLU 26 3HG GLU 26 8.094 -13.711 -6.349 186 H GLY 27 H GLY 27 8.220 -7.734 -6.722 187 HA2 GLY 27 2HA GLY 27 9.971 -7.439 -9.130 188 HA3 GLY 27 3HA GLY 27 8.907 -6.198 -8.444 189 H GLU 28 H GLU 28 9.491 -5.532 -6.064 190 HA GLU 28 HA GLU 28 12.293 -5.864 -5.392 191 HB2 GLU 28 2HB GLU 28 11.572 -3.676 -6.850 192 HB3 GLU 28 3HB GLU 28 11.161 -3.102 -5.239 193 HG2 GLU 28 2HG GLU 28 13.557 -4.190 -4.647 194 HG3 GLU 28 3HG GLU 28 13.831 -3.995 -6.376 195 H ASP 29 H ASP 29 12.065 -3.867 -3.356 196 HA ASP 29 HA ASP 29 11.009 -5.598 -1.313 197 HB2 ASP 29 2HB ASP 29 12.947 -4.127 -0.927 198 HB3 ASP 29 3HB ASP 29 11.917 -2.699 -1.133 199 H VAL 30 H VAL 30 9.261 -5.246 0.128 200 HA VAL 30 HA VAL 30 7.092 -3.596 -1.030 201 HB VAL 30 HB VAL 30 5.632 -4.897 0.327 202 HG11 VAL 30 1HG1 VAL 30 5.849 -5.271 -1.999 203 HG12 VAL 30 2HG1 VAL 30 7.237 -6.365 -1.759 204 HG13 VAL 30 3HG1 VAL 30 5.603 -6.827 -1.195 205 HG21 VAL 30 3HG2 VAL 30 7.953 -6.810 0.656 206 HG22 VAL 30 1HG2 VAL 30 7.305 -5.759 1.943 207 HG23 VAL 30 2HG2 VAL 30 6.287 -7.039 1.238 208 H ARG 31 H ARG 31 5.561 -2.806 0.806 209 HA ARG 31 HA ARG 31 6.780 -2.387 3.348 210 HB2 ARG 31 2HB ARG 31 7.594 -0.475 1.504 211 HB3 ARG 31 3HB ARG 31 6.224 0.306 2.274 212 HG2 ARG 31 2HG ARG 31 8.231 0.940 3.429 213 HG3 ARG 31 3HG ARG 31 7.355 -0.165 4.510 214 HD2 ARG 31 2HD ARG 31 8.805 -2.019 3.850 215 HD3 ARG 31 3HD ARG 31 9.548 -1.041 2.572 216 HE ARG 31 HE ARG 31 9.953 0.276 5.027 217 HH11 ARG 31 2HH2 ARG 31 11.027 -2.580 3.178 218 HH12 ARG 31 1HH2 ARG 31 12.451 -2.824 4.062 219 HH21 ARG 31 2HH1 ARG 31 11.995 0.053 6.144 220 HH22 ARG 31 1HH1 ARG 31 13.050 -1.262 5.760 221 H ARG 32 H ARG 32 5.281 -1.453 4.943 222 HA ARG 32 HA ARG 32 2.534 -1.455 3.908 223 HB2 ARG 32 2HB ARG 32 1.892 -2.137 6.160 224 HB3 ARG 32 3HB ARG 32 3.039 -3.271 5.481 225 HG2 ARG 32 2HG ARG 32 4.463 -1.235 7.036 226 HG3 ARG 32 3HG ARG 32 3.115 -1.893 7.965 227 HD2 ARG 32 2HD ARG 32 4.106 -4.213 7.023 228 HD3 ARG 32 3HD ARG 32 5.577 -3.281 6.934 229 HE ARG 32 HE ARG 32 3.939 -4.127 9.226 230 HH11 ARG 32 2HH2 ARG 32 6.892 -2.469 8.352 231 HH12 ARG 32 1HH2 ARG 32 7.478 -2.309 9.982 232 HH21 ARG 32 2HH1 ARG 32 4.542 -3.794 11.362 233 HH22 ARG 32 1HH1 ARG 32 6.074 -3.136 11.786 234 H LEU 33 H LEU 33 1.067 0.063 4.653 235 HA LEU 33 HA LEU 33 2.393 2.649 5.167 236 HB2 LEU 33 2HB LEU 33 -0.462 2.845 5.561 237 HB3 LEU 33 3HB LEU 33 0.646 3.726 4.529 238 HG LEU 33 HG LEU 33 0.438 1.506 3.088 239 HD11 LEU 33 1HD1 LEU 33 -1.795 0.583 3.200 240 HD12 LEU 33 2HD1 LEU 33 -1.185 0.635 4.871 241 HD13 LEU 33 3HD1 LEU 33 -2.322 1.867 4.312 242 HD21 LEU 33 3HD2 LEU 33 -1.212 2.705 1.727 243 HD22 LEU 33 1HD2 LEU 33 -1.507 3.824 3.089 244 HD23 LEU 33 2HD2 LEU 33 0.090 3.767 2.308 245 HA PRO 34 HA PRO 34 2.443 2.043 9.448 246 HB2 PRO 34 2HB PRO 34 1.855 4.675 10.402 247 HB3 PRO 34 3HB PRO 34 3.432 3.927 10.048 248 HG2 PRO 34 2HG PRO 34 1.874 5.856 8.417 249 HG3 PRO 34 3HG PRO 34 3.618 5.517 8.388 250 HD2 PRO 34 2HD PRO 34 1.782 4.646 6.469 251 HD3 PRO 34 3HD PRO 34 3.380 3.902 6.769 252 H CYS 35 H CYS 35 -0.569 2.617 8.054 253 HA CYS 35 HA CYS 35 -2.213 2.788 10.485 254 HB2 CYS 35 2HB CYS 35 -4.023 2.293 9.094 255 HB3 CYS 35 3HB CYS 35 -3.036 3.475 8.243 256 H MET 36 H MET 36 -0.887 0.187 8.430 257 HA MET 36 HA MET 36 -0.534 -1.941 9.942 258 HB2 MET 36 2HB MET 36 -3.496 -1.440 9.797 259 HB3 MET 36 3HB MET 36 -2.962 -3.064 9.464 260 HG2 MET 36 2HG MET 36 -1.989 -3.376 11.571 261 HG3 MET 36 3HG MET 36 -1.853 -1.658 11.886 262 HE1 MET 36 3HE MET 36 -4.157 -2.016 14.776 263 HE2 MET 36 1HE MET 36 -2.621 -2.803 14.332 264 HE3 MET 36 2HE MET 36 -2.870 -1.075 13.989 265 H HIS 37 H HIS 37 -2.714 -1.178 7.191 266 HA HIS 37 HA HIS 37 -2.344 -3.678 5.970 267 HB2 HIS 37 1HB HIS 37 -3.036 -1.081 4.582 268 HB3 HIS 37 2HB HIS 37 -3.326 -2.671 3.954 269 HD2 HIS 37 2HD HIS 37 -5.164 -4.201 4.940 270 HE1 HIS 37 1HE HIS 37 -7.301 -1.304 7.197 271 HE2 HIS 37 2HE HIS 37 -7.325 -3.717 6.345 272 H LEU 38 H LEU 38 -1.131 -4.460 4.303 273 HA LEU 38 HA LEU 38 1.433 -3.023 3.837 274 HB2 LEU 38 2HB LEU 38 1.636 -5.105 4.914 275 HB3 LEU 38 3HB LEU 38 0.819 -5.939 3.585 276 HG LEU 38 HG LEU 38 3.266 -4.314 3.014 277 HD11 LEU 38 1HD1 LEU 38 4.737 -6.233 3.558 278 HD12 LEU 38 2HD1 LEU 38 3.946 -5.561 4.996 279 HD13 LEU 38 3HD1 LEU 38 3.350 -7.072 4.286 280 HD21 LEU 38 3HD2 LEU 38 2.719 -7.112 1.973 281 HD22 LEU 38 1HD2 LEU 38 1.859 -5.752 1.254 282 HD23 LEU 38 2HD2 LEU 38 3.627 -5.801 1.218 283 H PHE 39 H PHE 39 2.376 -2.876 1.822 284 HA PHE 39 HA PHE 39 0.932 -3.672 -0.621 285 HB2 PHE 39 2HB PHE 39 1.335 -0.794 0.272 286 HB3 PHE 39 3HB PHE 39 1.219 -1.184 -1.435 287 HD1 PHE 39 1HD PHE 39 -0.706 -2.677 -2.216 288 HD2 PHE 39 2HD PHE 39 -0.720 -0.566 1.523 289 HE1 PHE 39 1HE PHE 39 -3.208 -2.845 -2.117 290 HE2 PHE 39 2HE PHE 39 -3.205 -0.700 1.587 291 HZ PHE 39 HZ PHE 39 -4.431 -1.732 -0.381 292 H HIS 40 H HIS 40 2.397 -2.382 -2.553 293 HA HIS 40 HA HIS 40 5.148 -3.356 -2.304 294 HB2 HIS 40 1HB HIS 40 3.806 -1.419 -4.198 295 HB3 HIS 40 2HB HIS 40 5.515 -1.739 -4.259 296 HD2 HIS 40 2HD HIS 40 6.200 -4.409 -4.782 297 HE1 HIS 40 1HE HIS 40 3.134 -4.493 -7.737 298 HE2 HIS 40 2HE HIS 40 5.294 -5.584 -6.928 299 H GLN 41 H GLN 41 7.023 -2.034 -1.854 300 HA GLN 41 HA GLN 41 6.641 0.281 -0.261 301 HB2 GLN 41 2HB GLN 41 8.770 -1.171 -0.305 302 HB3 GLN 41 3HB GLN 41 9.088 -0.559 -1.925 303 HG2 GLN 41 2HG GLN 41 9.123 1.787 -0.949 304 HG3 GLN 41 3HG GLN 41 9.043 1.067 0.653 305 HE21 GLN 41 1HE2 GLN 41 10.992 -0.897 0.895 306 HE22 GLN 41 2HE2 GLN 41 12.464 -0.245 0.282 307 H VAL 42 H VAL 42 7.683 -0.114 -3.630 308 HA VAL 42 HA VAL 42 7.872 2.653 -4.133 309 HB VAL 42 HB VAL 42 8.473 0.451 -5.512 310 HG11 VAL 42 1HG1 VAL 42 7.250 0.195 -7.573 311 HG12 VAL 42 2HG1 VAL 42 6.157 -0.078 -6.208 312 HG13 VAL 42 3HG1 VAL 42 6.098 1.456 -7.113 313 HG21 VAL 42 3HG2 VAL 42 9.041 1.916 -7.434 314 HG22 VAL 42 1HG2 VAL 42 7.973 3.178 -6.777 315 HG23 VAL 42 2HG2 VAL 42 9.430 2.683 -5.887 316 H CYS 43 H CYS 43 5.068 0.706 -3.823 317 HA CYS 43 HA CYS 43 3.225 2.642 -5.251 318 HB2 CYS 43 2HB CYS 43 2.765 0.241 -3.493 319 HB3 CYS 43 3HB CYS 43 1.531 1.309 -4.111 320 H VAL 44 H VAL 44 4.225 1.753 -1.829 321 HA VAL 44 HA VAL 44 2.194 3.296 -0.648 322 HB VAL 44 HB VAL 44 4.144 1.548 0.168 323 HG11 VAL 44 1HG1 VAL 44 5.591 2.579 1.791 324 HG12 VAL 44 2HG1 VAL 44 5.903 3.253 0.186 325 HG13 VAL 44 3HG1 VAL 44 4.984 4.196 1.385 326 HG21 VAL 44 3HG2 VAL 44 1.990 1.934 1.220 327 HG22 VAL 44 1HG2 VAL 44 3.288 1.929 2.429 328 HG23 VAL 44 2HG2 VAL 44 2.576 3.476 1.903 329 H ASP 45 H ASP 45 5.170 4.049 -2.155 330 HA ASP 45 HA ASP 45 5.515 6.754 -1.067 331 HB2 ASP 45 2HB ASP 45 7.480 5.627 -1.945 332 HB3 ASP 45 3HB ASP 45 6.703 5.352 -3.504 333 H GLN 46 H GLN 46 4.882 5.896 -4.529 334 HA GLN 46 HA GLN 46 3.986 8.507 -5.079 335 HB2 GLN 46 2HB GLN 46 3.274 5.950 -6.581 336 HB3 GLN 46 3HB GLN 46 3.088 7.611 -7.181 337 HG2 GLN 46 2HG GLN 46 5.603 7.903 -6.672 338 HG3 GLN 46 3HG GLN 46 5.673 6.139 -6.536 339 HE21 GLN 46 1HE2 GLN 46 6.789 8.185 -8.579 340 HE22 GLN 46 2HE2 GLN 46 6.234 7.528 -10.118 341 H TRP 47 H TRP 47 2.231 5.791 -3.756 342 HA TRP 47 HA TRP 47 -0.390 6.848 -3.988 343 HB2 TRP 47 2HB TRP 47 0.121 4.520 -3.305 344 HB3 TRP 47 3HB TRP 47 0.803 5.114 -1.782 345 HD1 TRP 47 HD1 TRP 47 -0.876 4.816 0.111 346 HE1 TRP 47 HE1 TRP 47 -3.444 5.006 0.376 347 HE3 TRP 47 HE3 TRP 47 -2.183 6.075 -4.691 348 HZ2 TRP 47 HZ2 TRP 47 -5.671 5.075 -1.317 349 HZ3 TRP 47 HZ3 TRP 47 -4.532 6.458 -5.261 350 HH2 TRP 47 HH2 TRP 47 -6.342 5.884 -3.634 351 H LEU 48 H LEU 48 1.989 7.096 -1.253 352 HA LEU 48 HA LEU 48 0.477 8.803 0.334 353 HB2 LEU 48 2HB LEU 48 3.318 7.979 0.048 354 HB3 LEU 48 3HB LEU 48 3.153 9.535 0.754 355 HG LEU 48 HG LEU 48 1.663 7.060 1.724 356 HD11 LEU 48 1HD1 LEU 48 4.094 6.808 1.984 357 HD12 LEU 48 2HD1 LEU 48 4.185 8.381 2.810 358 HD13 LEU 48 3HD1 LEU 48 3.316 7.022 3.564 359 HD21 LEU 48 3HD2 LEU 48 1.326 8.407 3.806 360 HD22 LEU 48 1HD2 LEU 48 2.081 9.803 3.010 361 HD23 LEU 48 2HD2 LEU 48 0.540 9.155 2.416 362 H ILE 49 H ILE 49 2.537 9.649 -2.512 363 HA ILE 49 HA ILE 49 2.333 12.449 -2.170 364 HB ILE 49 HB ILE 49 2.542 10.771 -4.668 365 HG12 ILE 49 2HG1 ILE 49 4.365 10.267 -3.164 366 HG13 ILE 49 3HG1 ILE 49 4.896 11.153 -4.564 367 HG21 ILE 49 1HG2 ILE 49 1.812 12.933 -5.327 368 HG22 ILE 49 2HG2 ILE 49 2.947 13.731 -4.223 369 HG23 ILE 49 3HG2 ILE 49 3.549 12.839 -5.646 370 HD11 ILE 49 3HD1 ILE 49 4.426 12.277 -1.789 371 HD12 ILE 49 1HD1 ILE 49 5.993 12.012 -2.578 372 HD13 ILE 49 2HD1 ILE 49 4.886 13.250 -3.211 373 H THR 50 H THR 50 0.072 10.073 -3.773 374 HA THR 50 HA THR 50 -1.660 12.179 -4.703 375 HB THR 50 HB THR 50 -1.120 9.274 -5.078 376 HG1 THR 50 1HG THR 50 -1.182 9.919 -7.100 377 HG21 THR 50 1HG2 THR 50 -3.287 8.862 -4.474 378 HG22 THR 50 2HG2 THR 50 -3.931 10.288 -5.350 379 HG23 THR 50 3HG2 THR 50 -3.255 8.890 -6.236 380 H ASN 51 H ASN 51 -2.336 9.269 -2.623 381 HA ASN 51 HA ASN 51 -4.378 10.878 -1.180 382 HB2 ASN 51 2HB ASN 51 -4.008 7.967 -1.878 383 HB3 ASN 51 3HB ASN 51 -4.919 8.376 -0.434 384 HD21 ASN 51 1HD2 ASN 51 -7.103 8.858 -0.665 385 HD22 ASN 51 2HD2 ASN 51 -7.812 9.234 -2.233 386 H LYS 52 H LYS 52 -3.596 11.664 0.742 387 HA LYS 52 HA LYS 52 -1.520 10.270 2.271 388 HB2 LYS 52 2HB LYS 52 -3.182 12.783 2.625 389 HB3 LYS 52 3HB LYS 52 -2.431 12.069 4.044 390 HG2 LYS 52 2HG LYS 52 -0.866 13.617 3.338 391 HG3 LYS 52 3HG LYS 52 -0.224 12.052 2.834 392 HD2 LYS 52 2HD LYS 52 -1.160 12.530 0.512 393 HD3 LYS 52 3HD LYS 52 -1.573 14.160 1.094 394 HE2 LYS 52 2HE LYS 52 0.820 14.516 1.708 395 HE3 LYS 52 3HE LYS 52 1.189 12.873 1.152 396 HZ1 LYS 52 3HZ LYS 52 1.712 14.433 -0.556 397 HZ2 LYS 52 1HZ LYS 52 0.459 13.490 -1.029 398 HZ3 LYS 52 2HZ LYS 52 0.178 15.038 -0.572 399 H LYS 53 H LYS 53 -3.980 8.606 1.690 400 HA LYS 53 HA LYS 53 -4.924 8.156 4.455 401 HB2 LYS 53 2HB LYS 53 -6.746 8.457 2.013 402 HB3 LYS 53 3HB LYS 53 -7.240 7.910 3.597 403 HG2 LYS 53 2HG LYS 53 -7.054 9.955 4.608 404 HG3 LYS 53 3HG LYS 53 -5.815 10.552 3.528 405 HD2 LYS 53 2HD LYS 53 -7.418 11.849 2.718 406 HD3 LYS 53 3HD LYS 53 -7.809 10.444 1.735 407 HE2 LYS 53 2HE LYS 53 -9.835 11.321 2.698 408 HE3 LYS 53 3HE LYS 53 -9.500 9.768 3.498 409 HZ1 LYS 53 3HZ LYS 53 -10.085 11.851 4.929 410 HZ2 LYS 53 1HZ LYS 53 -8.884 10.871 5.434 411 HZ3 LYS 53 2HZ LYS 53 -8.479 12.230 4.738 412 H CYS 54 H CYS 54 -5.915 6.088 4.639 413 HA CYS 54 HA CYS 54 -4.159 4.063 3.383 414 HB2 CYS 54 2HB CYS 54 -4.985 3.964 5.690 415 HB3 CYS 54 3HB CYS 54 -6.648 3.883 5.083 416 HA PRO 55 HA PRO 55 -6.827 3.689 -0.199 417 HB2 PRO 55 2HB PRO 55 -5.821 1.463 -1.365 418 HB3 PRO 55 3HB PRO 55 -4.824 2.916 -1.240 419 HG2 PRO 55 2HG PRO 55 -4.858 0.576 0.665 420 HG3 PRO 55 3HG PRO 55 -3.436 1.298 -0.156 421 HD2 PRO 55 2HD PRO 55 -4.113 2.024 2.344 422 HD3 PRO 55 3HD PRO 55 -3.518 3.226 1.199 423 H ILE 56 H ILE 56 -6.452 1.131 2.214 424 HA ILE 56 HA ILE 56 -8.916 -0.238 1.330 425 HB ILE 56 HB ILE 56 -6.813 -0.876 3.391 426 HG12 ILE 56 2HG1 ILE 56 -7.818 -2.419 0.954 427 HG13 ILE 56 3HG1 ILE 56 -6.541 -1.209 0.822 428 HG21 ILE 56 1HG2 ILE 56 -8.124 -3.002 3.752 429 HG22 ILE 56 2HG2 ILE 56 -8.985 -1.588 4.345 430 HG23 ILE 56 3HG2 ILE 56 -9.447 -2.315 2.795 431 HD11 ILE 56 3HD1 ILE 56 -5.178 -2.409 2.461 432 HD12 ILE 56 1HD1 ILE 56 -6.418 -3.686 2.562 433 HD13 ILE 56 2HD1 ILE 56 -5.559 -3.405 1.039 434 H CYS 57 H CYS 57 -7.652 0.870 4.532 435 HA CYS 57 HA CYS 57 -10.333 1.062 5.606 436 HB2 CYS 57 2HB CYS 57 -9.162 1.817 7.615 437 HB3 CYS 57 3HB CYS 57 -8.640 0.278 7.007 438 H ARG 58 H ARG 58 -8.520 3.359 3.743 439 HA ARG 58 HA ARG 58 -9.135 5.428 2.996 440 HB2 ARG 58 2HB ARG 58 -11.580 3.897 3.482 441 HB3 ARG 58 3HB ARG 58 -11.891 5.604 3.732 442 HG2 ARG 58 2HG ARG 58 -12.254 4.763 1.398 443 HG3 ARG 58 3HG ARG 58 -11.149 6.148 1.516 444 HD2 ARG 58 2HD ARG 58 -9.266 4.873 0.959 445 HD3 ARG 58 3HD ARG 58 -9.940 3.409 1.671 446 HE ARG 58 HE ARG 58 -10.387 2.780 -0.382 447 HH11 ARG 58 2HH2 ARG 58 -10.710 6.281 -0.430 448 HH12 ARG 58 1HH2 ARG 58 -11.374 6.388 -2.025 449 HH21 ARG 58 2HH1 ARG 58 -11.357 2.861 -2.494 450 HH22 ARG 58 1HH1 ARG 58 -11.710 4.376 -3.248 451 H VAL 59 H VAL 59 -8.260 5.173 5.880 452 HA VAL 59 HA VAL 59 -9.221 7.903 6.619 453 HB VAL 59 HB VAL 59 -8.933 7.463 8.819 454 HG11 VAL 59 1HG1 VAL 59 -10.352 5.562 9.271 455 HG12 VAL 59 2HG1 VAL 59 -10.806 6.173 7.656 456 HG13 VAL 59 3HG1 VAL 59 -9.758 4.739 7.809 457 HG21 VAL 59 3HG2 VAL 59 -7.300 4.995 8.158 458 HG22 VAL 59 1HG2 VAL 59 -6.776 6.493 8.979 459 HG23 VAL 59 2HG2 VAL 59 -7.897 5.396 9.790 460 H ASP 60 H ASP 60 -7.643 9.378 7.513 461 HA ASP 60 HA ASP 60 -5.184 9.276 6.080 462 HB2 ASP 60 2HB ASP 60 -5.869 11.028 8.498 463 HB3 ASP 60 3HB ASP 60 -4.787 11.404 7.185 464 H ILE 61 H ILE 61 -3.433 8.097 6.782 465 HA ILE 61 HA ILE 61 -3.506 6.522 9.000 466 HB ILE 61 HB ILE 61 -1.046 7.563 7.582 467 HG12 ILE 61 2HG1 ILE 61 -1.766 5.033 6.597 468 HG13 ILE 61 3HG1 ILE 61 -3.311 5.835 6.723 469 HG21 ILE 61 1HG2 ILE 61 -0.245 5.236 8.226 470 HG22 ILE 61 2HG2 ILE 61 -0.424 6.403 9.556 471 HG23 ILE 61 3HG2 ILE 61 -1.660 5.156 9.308 472 HD11 ILE 61 3HD1 ILE 61 -0.823 6.763 5.235 473 HD12 ILE 61 1HD1 ILE 61 -2.391 6.285 4.536 474 HD13 ILE 61 2HD1 ILE 61 -2.240 7.794 5.468 475 H GLU 62 H GLU 62 -2.534 9.845 8.745 476 HA GLU 62 HA GLU 62 -1.147 10.097 11.159 477 HB2 GLU 62 2HB GLU 62 -2.206 11.910 9.035 478 HB3 GLU 62 3HB GLU 62 -1.832 12.662 10.592 479 HG2 GLU 62 2HG GLU 62 0.427 11.859 10.575 480 HG3 GLU 62 3HG GLU 62 0.122 10.809 9.185 481 H ALA 63 H ALA 63 -2.139 12.192 12.561 482 HA ALA 63 HA ALA 63 -4.577 11.004 13.801 483 HB1 ALA 63 1HB ALA 63 -2.472 12.867 14.986 484 HB2 ALA 63 2HB ALA 63 -3.866 12.182 15.847 485 HB3 ALA 63 3HB ALA 63 -2.579 11.112 15.261 486 H GLN 64 H GLN 64 -6.007 12.753 14.871 487 HA GLN 64 HA GLN 64 -6.886 14.505 12.782 488 HB2 GLN 64 2HB GLN 64 -8.339 13.427 14.547 489 HB3 GLN 64 3HB GLN 64 -7.649 14.548 15.734 490 HG2 GLN 64 2HG GLN 64 -8.481 16.466 14.351 491 HG3 GLN 64 3HG GLN 64 -9.160 15.312 13.194 492 HE21 GLN 64 1HE2 GLN 64 -11.394 15.786 13.473 493 HE22 GLN 64 2HE2 GLN 64 -12.176 15.582 15.036 494 H LEU 65 H LEU 65 -6.018 16.442 12.247 495 HA LEU 65 HA LEU 65 -4.225 17.869 13.995 496 HB2 LEU 65 2HB LEU 65 -4.062 19.490 12.286 497 HB3 LEU 65 3HB LEU 65 -4.107 17.928 11.487 498 HG LEU 65 HG LEU 65 -6.448 19.892 11.705 499 HD11 LEU 65 1HD1 LEU 65 -4.631 19.182 9.364 500 HD12 LEU 65 2HD1 LEU 65 -6.008 20.311 9.329 501 HD13 LEU 65 3HD1 LEU 65 -4.588 20.696 10.301 502 HD21 LEU 65 3HD2 LEU 65 -7.406 17.696 11.444 503 HD22 LEU 65 1HD2 LEU 65 -7.419 18.466 9.862 504 HD23 LEU 65 2HD2 LEU 65 -6.180 17.247 10.212 505 HA PRO 66 HA PRO 66 -7.397 20.340 16.041 506 HB2 PRO 66 2HB PRO 66 -5.890 22.286 17.169 507 HB3 PRO 66 3HB PRO 66 -5.654 20.576 17.634 508 HG2 PRO 66 2HG PRO 66 -4.065 22.152 15.572 509 HG3 PRO 66 3HG PRO 66 -3.432 21.210 16.960 510 HD2 PRO 66 2HD PRO 66 -3.623 20.154 14.444 511 HD3 PRO 66 3HD PRO 66 -3.907 19.157 15.904 512 H SER 67 H SER 67 -7.986 20.613 13.609 513 HA SER 67 HA SER 67 -8.929 21.995 12.092 514 HB2 SER 67 2HB SER 67 -9.411 23.316 14.271 515 HB3 SER 67 3HB SER 67 -8.135 24.420 13.718 516 HG SER 67 HG SER 67 -10.134 25.105 12.943 517 H GLU 68 H GLU 68 -8.287 24.261 10.869 518 HA GLU 68 HA GLU 68 -5.737 23.684 9.580 519 HB2 GLU 68 2HB GLU 68 -8.036 25.525 9.138 520 HB3 GLU 68 3HB GLU 68 -6.472 26.253 8.785 521 HG2 GLU 68 2HG GLU 68 -7.266 25.262 6.765 522 HG3 GLU 68 3HG GLU 68 -5.881 24.330 7.330 523 H SER 69 H SER 69 -3.874 25.178 9.526 524 HA SER 69 HA SER 69 -3.638 27.199 11.592 525 HB2 SER 69 2HB SER 69 -3.145 24.835 12.582 526 HB3 SER 69 3HB SER 69 -1.731 24.830 11.508 527 HG SER 69 HG SER 69 -1.247 25.625 13.604 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -4.828 -21.723 -5.918 2 H2 MET 1 H2 MET 1 -4.648 -21.299 -7.513 3 H3 MET 1 H3 MET 1 -5.802 -20.584 -6.556 4 HA MET 1 HA MET 1 -6.834 -22.166 -8.011 5 HB2 MET 1 2HB MET 1 -4.639 -23.864 -6.906 6 HB3 MET 1 3HB MET 1 -6.210 -24.660 -7.082 7 HG2 MET 1 2HG MET 1 -6.375 -24.056 -9.401 8 HG3 MET 1 3HG MET 1 -4.925 -23.047 -9.310 9 HE1 MET 1 3HE MET 1 -4.420 -24.351 -11.594 10 HE2 MET 1 1HE MET 1 -3.989 -26.073 -11.676 11 HE3 MET 1 2HE MET 1 -5.680 -25.595 -11.420 12 H LYS 2 H LYS 2 -8.363 -24.120 -6.838 13 HA LYS 2 HA LYS 2 -9.429 -22.771 -4.498 14 HB2 LYS 2 2HB LYS 2 -10.588 -23.919 -6.613 15 HB3 LYS 2 3HB LYS 2 -10.378 -25.408 -5.679 16 HG2 LYS 2 2HG LYS 2 -11.751 -24.540 -3.896 17 HG3 LYS 2 3HG LYS 2 -11.671 -22.891 -4.539 18 HD2 LYS 2 2HD LYS 2 -12.916 -23.491 -6.517 19 HD3 LYS 2 3HD LYS 2 -12.939 -25.212 -6.067 20 HE2 LYS 2 2HE LYS 2 -13.995 -23.008 -4.284 21 HE3 LYS 2 3HE LYS 2 -15.017 -23.776 -5.518 22 HZ1 LYS 2 3HZ LYS 2 -15.253 -24.821 -3.333 23 HZ2 LYS 2 1HZ LYS 2 -14.670 -25.884 -4.444 24 HZ3 LYS 2 2HZ LYS 2 -13.655 -25.235 -3.328 25 H GLN 3 H GLN 3 -9.574 -23.845 -2.464 26 HA GLN 3 HA GLN 3 -8.542 -24.639 -0.668 27 HB2 GLN 3 2HB GLN 3 -7.689 -27.007 -2.394 28 HB3 GLN 3 3HB GLN 3 -7.386 -26.841 -0.674 29 HG2 GLN 3 2HG GLN 3 -9.285 -28.115 -0.653 30 HG3 GLN 3 3HG GLN 3 -9.937 -26.501 -0.393 31 HE21 GLN 3 1HE2 GLN 3 -9.428 -29.087 -2.826 32 HE22 GLN 3 2HE2 GLN 3 -10.767 -28.602 -3.847 33 H ASP 4 H ASP 4 -6.225 -25.299 0.137 34 HA ASP 4 HA ASP 4 -4.142 -24.615 0.538 35 HB2 ASP 4 2HB ASP 4 -3.648 -25.007 -1.915 36 HB3 ASP 4 3HB ASP 4 -3.949 -23.279 -2.182 37 H GLY 5 H GLY 5 -2.982 -22.461 1.060 38 HA2 GLY 5 2HA GLY 5 -3.915 -19.934 1.072 39 HA3 GLY 5 3HA GLY 5 -5.062 -20.728 2.174 40 H GLU 6 H GLU 6 -4.420 -20.406 4.231 41 HA GLU 6 HA GLU 6 -3.294 -21.041 6.094 42 HB2 GLU 6 2HB GLU 6 -1.693 -22.525 4.842 43 HB3 GLU 6 3HB GLU 6 -0.614 -21.120 4.659 44 HG2 GLU 6 2HG GLU 6 -0.542 -20.838 7.109 45 HG3 GLU 6 3HG GLU 6 -1.693 -22.158 7.314 46 H GLU 7 H GLU 7 -4.124 -19.050 6.593 47 HA GLU 7 HA GLU 7 -2.253 -16.748 6.498 48 HB2 GLU 7 2HB GLU 7 -4.212 -15.363 5.856 49 HB3 GLU 7 3HB GLU 7 -3.737 -16.502 4.606 50 HG2 GLU 7 2HG GLU 7 -5.979 -17.106 6.579 51 HG3 GLU 7 3HG GLU 7 -6.250 -16.205 5.093 52 H GLY 8 H GLY 8 -3.323 -14.896 7.843 53 HA2 GLY 8 2HA GLY 8 -4.822 -15.719 10.167 54 HA3 GLY 8 3HA GLY 8 -3.087 -15.500 10.502 55 H THR 9 H THR 9 -3.857 -13.656 11.877 56 HA THR 9 HA THR 9 -4.132 -11.177 10.333 57 HB THR 9 HB THR 9 -6.379 -11.603 10.438 58 HG1 THR 9 1HG THR 9 -5.851 -10.313 12.896 59 HG21 THR 9 1HG2 THR 9 -5.949 -12.773 13.201 60 HG22 THR 9 2HG2 THR 9 -7.547 -12.464 12.478 61 HG23 THR 9 3HG2 THR 9 -6.443 -13.617 11.715 62 H GLU 10 H GLU 10 -2.000 -10.588 11.179 63 HA GLU 10 HA GLU 10 -2.186 -9.556 13.892 64 HB2 GLU 10 2HB GLU 10 -1.460 -11.928 14.171 65 HB3 GLU 10 3HB GLU 10 -0.007 -11.590 13.232 66 HG2 GLU 10 2HG GLU 10 0.933 -10.297 14.937 67 HG3 GLU 10 3HG GLU 10 -0.636 -9.741 15.523 68 H GLU 11 H GLU 11 -2.020 -7.571 12.930 69 HA GLU 11 HA GLU 11 -1.252 -5.801 11.798 70 HB2 GLU 11 2HB GLU 11 0.969 -6.534 13.106 71 HB3 GLU 11 3HB GLU 11 1.549 -6.830 11.464 72 HG2 GLU 11 2HG GLU 11 0.927 -4.437 10.895 73 HG3 GLU 11 3HG GLU 11 0.379 -4.220 12.550 74 H ASP 12 H ASP 12 0.421 -5.566 9.571 75 HA ASP 12 HA ASP 12 0.214 -5.827 7.256 76 HB2 ASP 12 2HB ASP 12 2.276 -6.642 8.540 77 HB3 ASP 12 3HB ASP 12 1.713 -8.286 8.225 78 H THR 13 H THR 13 -2.181 -6.290 7.319 79 HA THR 13 HA THR 13 -2.646 -8.967 6.123 80 HB THR 13 HB THR 13 -4.305 -7.947 7.700 81 HG1 THR 13 1HG THR 13 -4.866 -9.620 6.259 82 HG21 THR 13 1HG2 THR 13 -5.227 -6.389 5.314 83 HG22 THR 13 2HG2 THR 13 -5.744 -6.226 7.011 84 HG23 THR 13 3HG2 THR 13 -4.118 -5.661 6.512 85 H GLU 14 H GLU 14 -1.038 -8.637 4.704 86 HA GLU 14 HA GLU 14 -1.220 -6.864 2.402 87 HB2 GLU 14 2HB GLU 14 0.861 -8.043 3.074 88 HB3 GLU 14 3HB GLU 14 0.115 -9.607 2.793 89 HG2 GLU 14 2HG GLU 14 0.401 -7.501 0.611 90 HG3 GLU 14 3HG GLU 14 1.695 -8.639 1.001 91 H GLU 15 H GLU 15 -3.055 -7.011 1.016 92 HA GLU 15 HA GLU 15 -3.689 -9.695 0.153 93 HB2 GLU 15 2HB GLU 15 -5.281 -9.067 2.097 94 HB3 GLU 15 3HB GLU 15 -6.032 -7.943 0.961 95 HG2 GLU 15 2HG GLU 15 -6.186 -9.977 -0.656 96 HG3 GLU 15 3HG GLU 15 -5.738 -10.971 0.730 97 H LYS 16 H LYS 16 -2.462 -8.823 -1.548 98 HA LYS 16 HA LYS 16 -2.125 -8.170 -3.642 99 HB2 LYS 16 2HB LYS 16 -3.646 -9.044 -4.856 100 HB3 LYS 16 3HB LYS 16 -4.808 -8.998 -3.568 101 HG2 LYS 16 2HG LYS 16 -4.379 -6.747 -5.573 102 HG3 LYS 16 3HG LYS 16 -5.558 -8.036 -5.675 103 HD2 LYS 16 2HD LYS 16 -6.437 -7.296 -3.378 104 HD3 LYS 16 3HD LYS 16 -5.435 -5.854 -3.554 105 HE2 LYS 16 2HE LYS 16 -7.552 -5.201 -4.313 106 HE3 LYS 16 3HE LYS 16 -6.606 -5.465 -5.791 107 HZ1 LYS 16 3HZ LYS 16 -7.641 -7.648 -5.951 108 HZ2 LYS 16 1HZ LYS 16 -8.478 -7.399 -4.558 109 HZ3 LYS 16 2HZ LYS 16 -8.810 -6.488 -5.890 110 H CYS 17 H CYS 17 -1.979 -6.201 -5.168 111 HA CYS 17 HA CYS 17 -1.811 -3.863 -3.510 112 HB2 CYS 17 2HB CYS 17 -0.103 -4.670 -5.229 113 HB3 CYS 17 3HB CYS 17 -1.256 -4.080 -6.426 114 H THR 18 H THR 18 -3.036 -2.014 -3.882 115 HA THR 18 HA THR 18 -5.405 -2.296 -5.676 116 HB THR 18 HB THR 18 -6.380 -0.579 -4.152 117 HG1 THR 18 1HG THR 18 -5.340 -0.224 -2.206 118 HG21 THR 18 1HG2 THR 18 -5.505 -3.161 -2.762 119 HG22 THR 18 2HG2 THR 18 -6.878 -2.137 -2.291 120 HG23 THR 18 3HG2 THR 18 -6.904 -2.994 -3.844 121 H ILE 19 H ILE 19 -2.627 -0.299 -4.748 122 HA ILE 19 HA ILE 19 -3.525 2.027 -6.137 123 HB ILE 19 HB ILE 19 -0.846 1.041 -5.043 124 HG12 ILE 19 2HG1 ILE 19 -1.578 3.321 -3.701 125 HG13 ILE 19 3HG1 ILE 19 -3.162 2.653 -4.007 126 HG21 ILE 19 1HG2 ILE 19 0.008 3.332 -5.347 127 HG22 ILE 19 2HG2 ILE 19 -0.318 2.531 -6.879 128 HG23 ILE 19 3HG2 ILE 19 -1.466 3.747 -6.265 129 HD11 ILE 19 3HD1 ILE 19 -2.191 1.987 -1.835 130 HD12 ILE 19 1HD1 ILE 19 -2.474 0.564 -2.866 131 HD13 ILE 19 2HD1 ILE 19 -0.826 1.211 -2.660 132 H CYS 20 H CYS 20 -1.619 -0.826 -6.974 133 HA CYS 20 HA CYS 20 -1.395 0.182 -9.798 134 HB2 CYS 20 2HB CYS 20 0.077 -1.849 -10.014 135 HB3 CYS 20 3HB CYS 20 0.705 -0.487 -9.081 136 H LEU 21 H LEU 21 -3.798 -0.886 -8.217 137 HA LEU 21 HA LEU 21 -5.504 -2.506 -8.465 138 HB2 LEU 21 2HB LEU 21 -5.066 -0.970 -10.932 139 HB3 LEU 21 3HB LEU 21 -6.257 -2.266 -10.936 140 HG LEU 21 HG LEU 21 -6.696 -0.901 -8.493 141 HD11 LEU 21 1HD1 LEU 21 -7.226 1.369 -9.237 142 HD12 LEU 21 2HD1 LEU 21 -5.491 1.032 -9.370 143 HD13 LEU 21 3HD1 LEU 21 -6.510 1.032 -10.834 144 HD21 LEU 21 3HD2 LEU 21 -8.236 -0.892 -11.106 145 HD22 LEU 21 1HD2 LEU 21 -8.295 -2.138 -9.831 146 HD23 LEU 21 2HD2 LEU 21 -8.885 -0.496 -9.496 147 H SER 22 H SER 22 -3.104 -4.020 -8.366 148 HA SER 22 HA SER 22 -4.200 -6.360 -9.742 149 HB2 SER 22 2HB SER 22 -1.997 -6.878 -10.882 150 HB3 SER 22 3HB SER 22 -2.922 -5.537 -11.575 151 HG SER 22 HG SER 22 -1.580 -4.092 -10.562 152 H ILE 23 H ILE 23 -2.608 -8.355 -9.332 153 HA ILE 23 HA ILE 23 -2.300 -8.618 -6.498 154 HB ILE 23 HB ILE 23 -1.081 -10.746 -7.379 155 HG12 ILE 23 2HG1 ILE 23 -1.105 -9.579 -9.799 156 HG13 ILE 23 3HG1 ILE 23 -1.065 -11.279 -9.482 157 HG21 ILE 23 1HG2 ILE 23 -3.182 -10.798 -6.239 158 HG22 ILE 23 2HG2 ILE 23 -4.056 -10.277 -7.691 159 HG23 ILE 23 3HG2 ILE 23 -3.253 -11.872 -7.626 160 HD11 ILE 23 3HD1 ILE 23 -3.396 -11.577 -9.840 161 HD12 ILE 23 1HD1 ILE 23 -3.678 -9.828 -9.959 162 HD13 ILE 23 2HD1 ILE 23 -2.741 -10.670 -11.214 163 H LEU 24 H LEU 24 -0.313 -8.798 -5.323 164 HA LEU 24 HA LEU 24 1.834 -7.156 -6.255 165 HB2 LEU 24 2HB LEU 24 1.252 -8.989 -3.909 166 HB3 LEU 24 3HB LEU 24 2.901 -8.505 -4.199 167 HG LEU 24 HG LEU 24 0.587 -6.602 -3.815 168 HD11 LEU 24 1HD1 LEU 24 2.885 -7.328 -1.940 169 HD12 LEU 24 2HD1 LEU 24 1.592 -6.149 -1.606 170 HD13 LEU 24 3HD1 LEU 24 1.203 -7.866 -1.772 171 HD21 LEU 24 3HD2 LEU 24 2.268 -5.478 -5.135 172 HD22 LEU 24 1HD2 LEU 24 2.413 -4.892 -3.482 173 HD23 LEU 24 2HD2 LEU 24 3.576 -6.089 -4.094 174 H GLU 25 H GLU 25 4.090 -8.023 -6.185 175 HA GLU 25 HA GLU 25 4.464 -10.566 -7.603 176 HB2 GLU 25 2HB GLU 25 5.472 -9.423 -9.514 177 HB3 GLU 25 3HB GLU 25 3.824 -8.799 -9.288 178 HG2 GLU 25 2HG GLU 25 4.927 -7.001 -7.793 179 HG3 GLU 25 3HG GLU 25 6.455 -7.504 -8.488 180 H GLU 26 H GLU 26 6.720 -11.226 -7.431 181 HA GLU 26 HA GLU 26 8.245 -9.918 -5.378 182 HB2 GLU 26 2HB GLU 26 8.966 -12.254 -7.208 183 HB3 GLU 26 3HB GLU 26 9.862 -11.709 -5.787 184 HG2 GLU 26 2HG GLU 26 8.683 -13.295 -4.720 185 HG3 GLU 26 3HG GLU 26 7.446 -12.050 -4.615 186 H GLY 27 H GLY 27 8.170 -7.840 -6.703 187 HA2 GLY 27 2HA GLY 27 10.066 -7.738 -8.977 188 HA3 GLY 27 3HA GLY 27 9.009 -6.434 -8.413 189 H GLU 28 H GLU 28 9.599 -5.840 -5.882 190 HA GLU 28 HA GLU 28 12.465 -5.831 -5.423 191 HB2 GLU 28 2HB GLU 28 11.494 -3.778 -6.820 192 HB3 GLU 28 3HB GLU 28 10.870 -3.279 -5.251 193 HG2 GLU 28 2HG GLU 28 13.531 -4.082 -4.746 194 HG3 GLU 28 3HG GLU 28 13.636 -3.317 -6.326 195 H ASP 29 H ASP 29 12.028 -3.880 -3.336 196 HA ASP 29 HA ASP 29 11.093 -5.701 -1.232 197 HB2 ASP 29 2HB ASP 29 13.155 -4.169 -1.113 198 HB3 ASP 29 3HB ASP 29 12.030 -2.824 -0.950 199 H VAL 30 H VAL 30 9.324 -5.030 0.250 200 HA VAL 30 HA VAL 30 7.377 -3.213 -0.973 201 HB VAL 30 HB VAL 30 5.658 -4.766 -0.204 202 HG11 VAL 30 1HG1 VAL 30 5.864 -6.237 -2.087 203 HG12 VAL 30 2HG1 VAL 30 6.593 -4.658 -2.479 204 HG13 VAL 30 3HG1 VAL 30 7.648 -6.030 -2.084 205 HG21 VAL 30 3HG2 VAL 30 6.954 -5.938 1.519 206 HG22 VAL 30 1HG2 VAL 30 6.181 -7.057 0.372 207 HG23 VAL 30 2HG2 VAL 30 7.924 -6.714 0.240 208 H ARG 31 H ARG 31 5.655 -2.697 0.650 209 HA ARG 31 HA ARG 31 6.785 -2.282 3.276 210 HB2 ARG 31 2HB ARG 31 7.741 -0.571 1.291 211 HB3 ARG 31 3HB ARG 31 6.461 0.366 2.015 212 HG2 ARG 31 2HG ARG 31 8.600 0.856 3.101 213 HG3 ARG 31 3HG ARG 31 7.624 -0.058 4.279 214 HD2 ARG 31 2HD ARG 31 8.780 -2.114 3.728 215 HD3 ARG 31 3HD ARG 31 9.557 -1.358 2.313 216 HE ARG 31 HE ARG 31 10.359 -0.056 4.715 217 HH11 ARG 31 2HH2 ARG 31 10.716 -3.071 2.759 218 HH12 ARG 31 1HH2 ARG 31 12.342 -3.268 3.094 219 HH21 ARG 31 2HH1 ARG 31 12.535 -0.582 5.487 220 HH22 ARG 31 1HH1 ARG 31 13.334 -1.991 4.867 221 H ARG 32 H ARG 32 5.350 -1.393 4.805 222 HA ARG 32 HA ARG 32 2.616 -1.348 3.755 223 HB2 ARG 32 2HB ARG 32 1.985 -2.423 5.859 224 HB3 ARG 32 3HB ARG 32 3.228 -3.356 5.036 225 HG2 ARG 32 2HG ARG 32 4.911 -2.218 6.629 226 HG3 ARG 32 3HG ARG 32 3.479 -1.691 7.543 227 HD2 ARG 32 2HD ARG 32 2.709 -4.114 7.542 228 HD3 ARG 32 3HD ARG 32 4.258 -4.572 6.833 229 HE ARG 32 HE ARG 32 3.662 -3.931 9.576 230 HH11 ARG 32 2HH2 ARG 32 6.287 -3.992 7.249 231 HH12 ARG 32 1HH2 ARG 32 7.552 -3.921 8.435 232 HH21 ARG 32 2HH1 ARG 32 5.196 -3.948 11.119 233 HH22 ARG 32 1HH1 ARG 32 6.908 -3.907 10.785 234 H LEU 33 H LEU 33 1.126 0.029 4.701 235 HA LEU 33 HA LEU 33 2.408 2.599 5.308 236 HB2 LEU 33 2HB LEU 33 -0.527 2.205 5.802 237 HB3 LEU 33 3HB LEU 33 0.370 3.625 5.311 238 HG LEU 33 HG LEU 33 0.780 2.282 3.136 239 HD11 LEU 33 1HD1 LEU 33 -1.424 0.746 4.472 240 HD12 LEU 33 2HD1 LEU 33 -1.651 1.116 2.765 241 HD13 LEU 33 3HD1 LEU 33 -0.227 0.205 3.283 242 HD21 LEU 33 3HD2 LEU 33 -1.247 3.313 2.169 243 HD22 LEU 33 1HD2 LEU 33 -1.872 3.580 3.817 244 HD23 LEU 33 2HD2 LEU 33 -0.389 4.401 3.268 245 HA PRO 34 HA PRO 34 2.566 1.794 9.679 246 HB2 PRO 34 2HB PRO 34 2.109 4.373 10.720 247 HB3 PRO 34 3HB PRO 34 3.668 3.671 10.206 248 HG2 PRO 34 2HG PRO 34 1.887 5.566 8.725 249 HG3 PRO 34 3HG PRO 34 3.662 5.437 8.689 250 HD2 PRO 34 2HD PRO 34 2.009 4.463 6.700 251 HD3 PRO 34 3HD PRO 34 3.612 3.764 7.073 252 H CYS 35 H CYS 35 -0.285 2.610 8.121 253 HA CYS 35 HA CYS 35 -2.384 2.490 10.084 254 HB2 CYS 35 2HB CYS 35 -2.791 2.967 7.764 255 HB3 CYS 35 3HB CYS 35 -2.042 1.430 7.302 256 H MET 36 H MET 36 -0.810 -0.185 8.246 257 HA MET 36 HA MET 36 -0.534 -2.269 9.825 258 HB2 MET 36 2HB MET 36 -3.445 -1.558 9.889 259 HB3 MET 36 3HB MET 36 -3.082 -3.215 9.470 260 HG2 MET 36 2HG MET 36 -1.904 -3.641 11.482 261 HG3 MET 36 3HG MET 36 -1.800 -1.940 11.894 262 HE1 MET 36 3HE MET 36 -5.724 -4.408 12.172 263 HE2 MET 36 1HE MET 36 -5.050 -3.899 10.610 264 HE3 MET 36 2HE MET 36 -4.171 -5.077 11.621 265 H HIS 37 H HIS 37 -2.701 -1.307 7.114 266 HA HIS 37 HA HIS 37 -2.423 -3.793 5.715 267 HB2 HIS 37 1HB HIS 37 -3.103 -1.052 4.600 268 HB3 HIS 37 2HB HIS 37 -3.385 -2.576 3.805 269 HD2 HIS 37 2HD HIS 37 -5.129 -4.296 4.875 270 HE1 HIS 37 1HE HIS 37 -7.425 -1.415 7.019 271 HE2 HIS 37 2HE HIS 37 -7.347 -3.855 6.211 272 H LEU 38 H LEU 38 -1.203 -4.298 3.848 273 HA LEU 38 HA LEU 38 1.308 -2.736 3.572 274 HB2 LEU 38 2HB LEU 38 1.645 -4.868 4.546 275 HB3 LEU 38 3HB LEU 38 0.833 -5.691 3.209 276 HG LEU 38 HG LEU 38 3.249 -4.005 2.660 277 HD11 LEU 38 1HD1 LEU 38 3.395 -6.842 3.722 278 HD12 LEU 38 2HD1 LEU 38 4.750 -5.925 3.028 279 HD13 LEU 38 3HD1 LEU 38 3.989 -5.404 4.540 280 HD21 LEU 38 3HD2 LEU 38 1.811 -5.365 0.856 281 HD22 LEU 38 1HD2 LEU 38 3.582 -5.439 0.797 282 HD23 LEU 38 2HD2 LEU 38 2.659 -6.748 1.530 283 H PHE 39 H PHE 39 2.403 -2.577 1.553 284 HA PHE 39 HA PHE 39 0.971 -3.356 -0.872 285 HB2 PHE 39 2HB PHE 39 1.466 -0.459 -0.060 286 HB3 PHE 39 3HB PHE 39 1.300 -0.903 -1.755 287 HD1 PHE 39 2HD PHE 39 -0.653 -2.622 -2.238 288 HD2 PHE 39 1HD PHE 39 -0.558 0.170 1.005 289 HE1 PHE 39 2HE PHE 39 -3.140 -2.838 -1.986 290 HE2 PHE 39 1HE PHE 39 -3.035 -0.026 1.249 291 HZ PHE 39 HZ PHE 39 -4.314 -1.463 -0.384 292 H HIS 40 H HIS 40 2.438 -2.175 -2.831 293 HA HIS 40 HA HIS 40 5.129 -3.229 -2.551 294 HB2 HIS 40 1HB HIS 40 3.944 -1.207 -4.469 295 HB3 HIS 40 2HB HIS 40 5.614 -1.659 -4.501 296 HD2 HIS 40 2HD HIS 40 6.260 -4.140 -5.303 297 HE1 HIS 40 1HE HIS 40 2.970 -4.165 -8.000 298 HE2 HIS 40 2HE HIS 40 5.204 -5.111 -7.545 299 H GLN 41 H GLN 41 7.022 -1.948 -2.233 300 HA GLN 41 HA GLN 41 6.820 0.256 -0.437 301 HB2 GLN 41 2HB GLN 41 8.776 -1.313 -0.603 302 HB3 GLN 41 3HB GLN 41 9.063 -0.777 -2.255 303 HG2 GLN 41 2HG GLN 41 9.708 1.458 -1.456 304 HG3 GLN 41 3HG GLN 41 9.333 0.982 0.213 305 HE21 GLN 41 1HE2 GLN 41 11.305 -0.163 -2.658 306 HE22 GLN 41 2HE2 GLN 41 12.542 -0.863 -1.750 307 H VAL 42 H VAL 42 7.810 0.094 -3.828 308 HA VAL 42 HA VAL 42 7.956 2.911 -4.125 309 HB VAL 42 HB VAL 42 8.583 0.758 -5.642 310 HG11 VAL 42 1HG1 VAL 42 6.302 0.444 -6.536 311 HG12 VAL 42 2HG1 VAL 42 6.377 2.073 -7.258 312 HG13 VAL 42 3HG1 VAL 42 7.495 0.809 -7.793 313 HG21 VAL 42 3HG2 VAL 42 8.325 3.633 -6.615 314 HG22 VAL 42 1HG2 VAL 42 9.685 2.950 -5.695 315 HG23 VAL 42 2HG2 VAL 42 9.364 2.384 -7.342 316 H CYS 43 H CYS 43 5.190 0.890 -3.928 317 HA CYS 43 HA CYS 43 3.316 2.824 -5.321 318 HB2 CYS 43 2HB CYS 43 2.898 0.374 -3.620 319 HB3 CYS 43 3HB CYS 43 1.642 1.456 -4.137 320 H VAL 44 H VAL 44 4.345 1.895 -1.924 321 HA VAL 44 HA VAL 44 2.261 3.346 -0.713 322 HB VAL 44 HB VAL 44 4.241 1.619 0.068 323 HG11 VAL 44 1HG1 VAL 44 5.664 2.634 1.725 324 HG12 VAL 44 2HG1 VAL 44 5.971 3.356 0.140 325 HG13 VAL 44 3HG1 VAL 44 5.030 4.250 1.359 326 HG21 VAL 44 3HG2 VAL 44 2.621 3.468 1.835 327 HG22 VAL 44 1HG2 VAL 44 2.083 1.927 1.114 328 HG23 VAL 44 2HG2 VAL 44 3.370 1.927 2.335 329 H ASP 45 H ASP 45 5.230 4.213 -2.152 330 HA ASP 45 HA ASP 45 5.495 6.918 -1.038 331 HB2 ASP 45 2HB ASP 45 7.506 5.874 -1.919 332 HB3 ASP 45 3HB ASP 45 6.729 5.534 -3.464 333 H GLN 46 H GLN 46 4.880 6.014 -4.495 334 HA GLN 46 HA GLN 46 3.946 8.603 -5.048 335 HB2 GLN 46 2HB GLN 46 3.267 6.047 -6.565 336 HB3 GLN 46 3HB GLN 46 3.093 7.712 -7.159 337 HG2 GLN 46 2HG GLN 46 5.627 7.951 -6.514 338 HG3 GLN 46 3HG GLN 46 5.642 6.183 -6.547 339 HE21 GLN 46 1HE2 GLN 46 6.536 8.701 -8.377 340 HE22 GLN 46 2HE2 GLN 46 6.130 8.084 -9.977 341 H TRP 47 H TRP 47 2.216 5.935 -3.646 342 HA TRP 47 HA TRP 47 -0.432 6.976 -3.978 343 HB2 TRP 47 2HB TRP 47 0.138 4.632 -3.319 344 HB3 TRP 47 3HB TRP 47 0.719 5.218 -1.760 345 HD1 TRP 47 HD1 TRP 47 -1.051 4.907 0.052 346 HE1 TRP 47 HE1 TRP 47 -3.630 5.009 0.181 347 HE3 TRP 47 HE3 TRP 47 -2.136 6.042 -4.825 348 HZ2 TRP 47 HZ2 TRP 47 -5.782 5.088 -1.595 349 HZ3 TRP 47 HZ3 TRP 47 -4.472 6.321 -5.540 350 HH2 TRP 47 HH2 TRP 47 -6.345 5.780 -3.981 351 H LEU 48 H LEU 48 1.899 7.156 -1.196 352 HA LEU 48 HA LEU 48 0.444 8.956 0.340 353 HB2 LEU 48 2HB LEU 48 3.303 8.130 0.019 354 HB3 LEU 48 3HB LEU 48 3.075 9.654 0.771 355 HG LEU 48 HG LEU 48 1.822 7.024 1.692 356 HD11 LEU 48 1HD1 LEU 48 4.028 8.755 2.886 357 HD12 LEU 48 2HD1 LEU 48 3.392 7.241 3.577 358 HD13 LEU 48 3HD1 LEU 48 4.265 7.213 2.032 359 HD21 LEU 48 3HD2 LEU 48 1.318 8.375 3.804 360 HD22 LEU 48 1HD2 LEU 48 1.637 9.839 2.848 361 HD23 LEU 48 2HD2 LEU 48 0.303 8.739 2.418 362 H ILE 49 H ILE 49 2.441 9.669 -2.595 363 HA ILE 49 HA ILE 49 2.220 12.486 -2.291 364 HB ILE 49 HB ILE 49 2.578 10.755 -4.736 365 HG12 ILE 49 2HG1 ILE 49 4.334 10.395 -3.077 366 HG13 ILE 49 3HG1 ILE 49 4.892 11.143 -4.548 367 HG21 ILE 49 1HG2 ILE 49 3.578 12.821 -5.731 368 HG22 ILE 49 2HG2 ILE 49 1.819 12.852 -5.522 369 HG23 ILE 49 3HG2 ILE 49 2.849 13.734 -4.381 370 HD11 ILE 49 3HD1 ILE 49 4.320 12.558 -1.928 371 HD12 ILE 49 1HD1 ILE 49 5.919 12.197 -2.608 372 HD13 ILE 49 2HD1 ILE 49 4.854 13.358 -3.430 373 H THR 50 H THR 50 -0.060 10.056 -3.816 374 HA THR 50 HA THR 50 -1.781 12.299 -4.641 375 HB THR 50 HB THR 50 -3.229 10.449 -5.502 376 HG1 THR 50 1HG THR 50 -2.540 8.395 -5.415 377 HG21 THR 50 1HG2 THR 50 -1.740 9.815 -7.351 378 HG22 THR 50 2HG2 THR 50 -1.499 11.524 -6.935 379 HG23 THR 50 3HG2 THR 50 -0.319 10.301 -6.409 380 H ASN 51 H ASN 51 -2.495 9.269 -2.881 381 HA ASN 51 HA ASN 51 -4.556 10.708 -1.295 382 HB2 ASN 51 2HB ASN 51 -4.011 7.849 -2.094 383 HB3 ASN 51 3HB ASN 51 -5.110 8.212 -0.770 384 HD21 ASN 51 1HD2 ASN 51 -7.206 8.010 -1.481 385 HD22 ASN 51 2HD2 ASN 51 -7.749 8.615 -3.052 386 H LYS 52 H LYS 52 -3.459 11.543 0.504 387 HA LYS 52 HA LYS 52 -1.585 9.877 2.003 388 HB2 LYS 52 2HB LYS 52 -2.901 12.566 2.579 389 HB3 LYS 52 3HB LYS 52 -1.745 11.775 3.679 390 HG2 LYS 52 2HG LYS 52 -0.110 11.579 1.852 391 HG3 LYS 52 3HG LYS 52 -1.187 12.479 0.764 392 HD2 LYS 52 2HD LYS 52 -0.083 13.556 3.380 393 HD3 LYS 52 3HD LYS 52 0.677 13.779 1.787 394 HE2 LYS 52 2HE LYS 52 -1.581 14.739 1.009 395 HE3 LYS 52 3HE LYS 52 -2.023 14.820 2.724 396 HZ1 LYS 52 3HZ LYS 52 -1.084 16.892 1.965 397 HZ2 LYS 52 1HZ LYS 52 -0.056 16.213 3.059 398 HZ3 LYS 52 2HZ LYS 52 0.287 16.146 1.450 399 H LYS 53 H LYS 53 -4.111 8.542 1.606 400 HA LYS 53 HA LYS 53 -4.858 8.055 4.394 401 HB2 LYS 53 2HB LYS 53 -6.923 8.379 2.157 402 HB3 LYS 53 3HB LYS 53 -7.223 7.768 3.753 403 HG2 LYS 53 2HG LYS 53 -7.358 9.761 4.701 404 HG3 LYS 53 3HG LYS 53 -5.841 10.305 4.032 405 HD2 LYS 53 2HD LYS 53 -6.976 11.778 2.807 406 HD3 LYS 53 3HD LYS 53 -7.631 10.438 1.857 407 HE2 LYS 53 2HE LYS 53 -9.646 11.206 2.640 408 HE3 LYS 53 3HE LYS 53 -9.204 10.244 4.065 409 HZ1 LYS 53 3HZ LYS 53 -8.688 13.142 3.743 410 HZ2 LYS 53 1HZ LYS 53 -9.835 12.463 4.728 411 HZ3 LYS 53 2HZ LYS 53 -8.252 12.250 5.027 412 H CYS 54 H CYS 54 -5.948 6.038 4.589 413 HA CYS 54 HA CYS 54 -4.300 3.964 3.225 414 HB2 CYS 54 2HB CYS 54 -5.070 3.870 5.591 415 HB3 CYS 54 3HB CYS 54 -6.737 3.757 4.999 416 HA PRO 55 HA PRO 55 -7.233 3.782 -0.178 417 HB2 PRO 55 2HB PRO 55 -6.337 1.611 -1.503 418 HB3 PRO 55 3HB PRO 55 -5.320 3.036 -1.403 419 HG2 PRO 55 2HG PRO 55 -5.186 0.621 0.373 420 HG3 PRO 55 3HG PRO 55 -3.866 1.429 -0.544 421 HD2 PRO 55 2HD PRO 55 -4.362 1.979 2.075 422 HD3 PRO 55 3HD PRO 55 -3.801 3.230 0.969 423 H ILE 56 H ILE 56 -6.707 1.271 2.236 424 HA ILE 56 HA ILE 56 -9.128 -0.220 1.433 425 HB ILE 56 HB ILE 56 -6.891 -0.791 3.376 426 HG12 ILE 56 2HG1 ILE 56 -7.914 -2.436 1.026 427 HG13 ILE 56 3HG1 ILE 56 -6.837 -1.072 0.732 428 HG21 ILE 56 1HG2 ILE 56 -9.501 -2.312 2.885 429 HG22 ILE 56 2HG2 ILE 56 -8.089 -3.010 3.692 430 HG23 ILE 56 3HG2 ILE 56 -8.939 -1.652 4.433 431 HD11 ILE 56 3HD1 ILE 56 -6.201 -3.407 2.556 432 HD12 ILE 56 1HD1 ILE 56 -5.561 -3.131 0.924 433 HD13 ILE 56 2HD1 ILE 56 -5.158 -1.996 2.233 434 H CYS 57 H CYS 57 -7.753 0.947 4.567 435 HA CYS 57 HA CYS 57 -10.416 1.029 5.774 436 HB2 CYS 57 2HB CYS 57 -9.158 1.753 7.747 437 HB3 CYS 57 3HB CYS 57 -8.670 0.226 7.097 438 H ARG 58 H ARG 58 -8.713 3.333 3.833 439 HA ARG 58 HA ARG 58 -9.376 5.374 3.112 440 HB2 ARG 58 2HB ARG 58 -11.570 3.779 3.303 441 HB3 ARG 58 3HB ARG 58 -12.087 5.065 4.381 442 HG2 ARG 58 2HG ARG 58 -11.231 5.324 1.466 443 HG3 ARG 58 3HG ARG 58 -12.885 5.363 2.083 444 HD2 ARG 58 2HD ARG 58 -12.275 7.397 3.436 445 HD3 ARG 58 3HD ARG 58 -10.725 7.450 2.584 446 HE ARG 58 HE ARG 58 -13.312 8.309 1.687 447 HH11 ARG 58 2HH2 ARG 58 -10.324 6.915 0.451 448 HH12 ARG 58 1HH2 ARG 58 -10.519 7.503 -1.165 449 HH21 ARG 58 2HH1 ARG 58 -13.588 9.150 -0.454 450 HH22 ARG 58 1HH1 ARG 58 -12.413 8.843 -1.675 451 H VAL 59 H VAL 59 -8.099 5.299 5.821 452 HA VAL 59 HA VAL 59 -9.121 7.977 6.632 453 HB VAL 59 HB VAL 59 -8.778 7.564 8.831 454 HG11 VAL 59 1HG1 VAL 59 -10.189 5.682 9.381 455 HG12 VAL 59 2HG1 VAL 59 -10.721 6.317 7.802 456 HG13 VAL 59 3HG1 VAL 59 -9.703 4.852 7.885 457 HG21 VAL 59 3HG2 VAL 59 -6.636 6.579 8.947 458 HG22 VAL 59 1HG2 VAL 59 -7.740 5.500 9.807 459 HG23 VAL 59 2HG2 VAL 59 -7.196 5.069 8.166 460 H ASP 60 H ASP 60 -7.495 9.458 7.433 461 HA ASP 60 HA ASP 60 -5.055 9.178 5.992 462 HB2 ASP 60 2HB ASP 60 -5.478 11.174 8.247 463 HB3 ASP 60 3HB ASP 60 -4.537 11.303 6.793 464 H ILE 61 H ILE 61 -3.407 7.951 6.710 465 HA ILE 61 HA ILE 61 -3.476 6.431 8.901 466 HB ILE 61 HB ILE 61 -0.959 7.421 7.549 467 HG12 ILE 61 2HG1 ILE 61 -1.695 4.945 6.484 468 HG13 ILE 61 3HG1 ILE 61 -3.247 5.735 6.633 469 HG21 ILE 61 1HG2 ILE 61 -0.467 6.188 9.544 470 HG22 ILE 61 2HG2 ILE 61 -1.690 4.959 9.158 471 HG23 ILE 61 3HG2 ILE 61 -0.212 5.094 8.166 472 HD11 ILE 61 3HD1 ILE 61 -0.768 6.700 5.154 473 HD12 ILE 61 1HD1 ILE 61 -2.342 6.249 4.456 474 HD13 ILE 61 2HD1 ILE 61 -2.174 7.737 5.419 475 H GLU 62 H GLU 62 -2.461 9.702 8.747 476 HA GLU 62 HA GLU 62 -1.742 11.266 10.277 477 HB2 GLU 62 2HB GLU 62 -4.164 10.542 10.821 478 HB3 GLU 62 3HB GLU 62 -3.494 9.869 12.304 479 HG2 GLU 62 2HG GLU 62 -3.148 12.744 11.309 480 HG3 GLU 62 3HG GLU 62 -4.397 12.237 12.437 481 H ALA 63 H ALA 63 0.296 10.208 9.983 482 HA ALA 63 HA ALA 63 1.542 9.718 12.600 483 HB1 ALA 63 1HB ALA 63 1.871 7.745 10.286 484 HB2 ALA 63 2HB ALA 63 2.728 7.682 11.842 485 HB3 ALA 63 3HB ALA 63 0.973 7.430 11.790 486 H GLN 64 H GLN 64 4.041 9.599 12.233 487 HA GLN 64 HA GLN 64 4.815 11.957 10.817 488 HB2 GLN 64 2HB GLN 64 5.949 10.724 12.841 489 HB3 GLN 64 3HB GLN 64 6.730 9.731 11.599 490 HG2 GLN 64 2HG GLN 64 7.545 11.893 10.526 491 HG3 GLN 64 3HG GLN 64 6.870 12.763 11.914 492 HE21 GLN 64 1HE2 GLN 64 9.790 11.833 10.765 493 HE22 GLN 64 2HE2 GLN 64 10.563 11.444 12.296 494 H LEU 65 H LEU 65 5.686 12.199 8.729 495 HA LEU 65 HA LEU 65 5.735 9.743 7.056 496 HB2 LEU 65 2HB LEU 65 4.870 11.067 5.219 497 HB3 LEU 65 3HB LEU 65 3.761 10.965 6.573 498 HG LEU 65 HG LEU 65 5.242 13.371 7.010 499 HD11 LEU 65 1HD1 LEU 65 4.236 13.154 4.135 500 HD12 LEU 65 2HD1 LEU 65 4.856 14.619 4.933 501 HD13 LEU 65 3HD1 LEU 65 5.943 13.254 4.622 502 HD21 LEU 65 3HD2 LEU 65 2.902 12.958 7.620 503 HD22 LEU 65 1HD2 LEU 65 3.073 14.437 6.659 504 HD23 LEU 65 2HD2 LEU 65 2.443 12.954 5.902 505 HA PRO 66 HA PRO 66 9.894 11.418 6.514 506 HB2 PRO 66 2HB PRO 66 11.107 9.187 5.542 507 HB3 PRO 66 3HB PRO 66 10.562 9.265 7.249 508 HG2 PRO 66 2HG PRO 66 9.096 8.041 4.885 509 HG3 PRO 66 3HG PRO 66 9.431 7.292 6.481 510 HD2 PRO 66 2HD PRO 66 7.061 8.541 5.882 511 HD3 PRO 66 3HD PRO 66 7.761 8.580 7.533 512 H SER 67 H SER 67 11.434 11.483 4.544 513 HA SER 67 HA SER 67 10.119 11.246 1.938 514 HB2 SER 67 2HB SER 67 9.303 13.396 2.856 515 HB3 SER 67 3HB SER 67 10.964 13.902 3.188 516 HG SER 67 HG SER 67 11.363 13.905 0.972 517 H GLU 68 H GLU 68 11.780 10.263 0.780 518 HA GLU 68 HA GLU 68 14.431 11.405 0.783 519 HB2 GLU 68 2HB GLU 68 14.323 9.766 2.770 520 HB3 GLU 68 3HB GLU 68 14.116 8.476 1.580 521 HG2 GLU 68 2HG GLU 68 16.313 8.976 0.615 522 HG3 GLU 68 3HG GLU 68 16.438 10.456 1.575 523 H SER 69 H SER 69 15.738 10.033 -1.044 524 HA SER 69 HA SER 69 13.968 8.671 -2.923 525 HB2 SER 69 2HB SER 69 14.654 10.315 -4.718 526 HB3 SER 69 3HB SER 69 13.529 10.997 -3.521 527 HG SER 69 HG SER 69 16.320 11.174 -3.190 Start of MODEL 12 1 H1 MET 1 H1 MET 1 4.409 -20.947 14.725 2 H2 MET 1 H2 MET 1 2.933 -21.289 15.395 3 H3 MET 1 H3 MET 1 3.562 -22.262 14.221 4 HA MET 1 HA MET 1 1.860 -20.882 13.265 5 HB2 MET 1 2HB MET 1 3.691 -18.663 14.318 6 HB3 MET 1 3HB MET 1 2.520 -18.419 13.017 7 HG2 MET 1 2HG MET 1 1.508 -17.689 15.053 8 HG3 MET 1 3HG MET 1 0.694 -19.150 14.495 9 HE1 MET 1 3HE MET 1 -0.510 -19.380 16.772 10 HE2 MET 1 1HE MET 1 -0.003 -20.914 16.027 11 HE3 MET 1 2HE MET 1 0.177 -20.675 17.781 12 H LYS 2 H LYS 2 2.139 -20.964 11.046 13 HA LYS 2 HA LYS 2 4.476 -19.722 9.912 14 HB2 LYS 2 2HB LYS 2 5.254 -21.599 8.583 15 HB3 LYS 2 3HB LYS 2 5.320 -22.079 10.284 16 HG2 LYS 2 2HG LYS 2 3.066 -23.223 9.962 17 HG3 LYS 2 3HG LYS 2 3.192 -22.774 8.260 18 HD2 LYS 2 2HD LYS 2 5.445 -24.108 8.292 19 HD3 LYS 2 3HD LYS 2 4.762 -24.859 9.769 20 HE2 LYS 2 2HE LYS 2 2.618 -25.262 8.452 21 HE3 LYS 2 3HE LYS 2 3.433 -24.573 7.048 22 HZ1 LYS 2 3HZ LYS 2 3.430 -26.774 6.798 23 HZ2 LYS 2 1HZ LYS 2 4.988 -26.382 7.101 24 HZ3 LYS 2 2HZ LYS 2 4.082 -27.127 8.286 25 H GLN 3 H GLN 3 3.808 -18.940 7.761 26 HA GLN 3 HA GLN 3 0.923 -18.957 7.453 27 HB2 GLN 3 2HB GLN 3 3.121 -17.768 5.702 28 HB3 GLN 3 3HB GLN 3 1.384 -17.585 5.448 29 HG2 GLN 3 2HG GLN 3 1.703 -15.677 6.617 30 HG3 GLN 3 3HG GLN 3 1.412 -16.745 7.987 31 HE21 GLN 3 1HE2 GLN 3 3.080 -14.147 7.523 32 HE22 GLN 3 2HE2 GLN 3 4.644 -14.584 8.191 33 H ASP 4 H ASP 4 0.524 -21.202 7.232 34 HA ASP 4 HA ASP 4 0.587 -22.227 4.482 35 HB2 ASP 4 2HB ASP 4 2.743 -23.002 5.474 36 HB3 ASP 4 3HB ASP 4 1.829 -23.599 6.870 37 H GLY 5 H GLY 5 -1.725 -22.153 4.596 38 HA2 GLY 5 2HA GLY 5 -3.757 -23.198 5.034 39 HA3 GLY 5 3HA GLY 5 -2.973 -24.226 6.240 40 H GLU 6 H GLU 6 -2.025 -22.628 8.180 41 HA GLU 6 HA GLU 6 -4.323 -21.803 9.585 42 HB2 GLU 6 2HB GLU 6 -1.382 -21.117 10.008 43 HB3 GLU 6 3HB GLU 6 -2.673 -20.694 11.145 44 HG2 GLU 6 2HG GLU 6 -3.247 -23.098 11.379 45 HG3 GLU 6 3HG GLU 6 -1.878 -23.521 10.347 46 H GLU 7 H GLU 7 -5.248 -19.810 10.042 47 HA GLU 7 HA GLU 7 -4.463 -17.504 8.351 48 HB2 GLU 7 2HB GLU 7 -6.924 -18.206 10.003 49 HB3 GLU 7 3HB GLU 7 -6.607 -16.557 9.423 50 HG2 GLU 7 2HG GLU 7 -6.587 -17.295 7.108 51 HG3 GLU 7 3HG GLU 7 -6.753 -18.989 7.596 52 H GLY 8 H GLY 8 -4.140 -15.469 9.431 53 HA2 GLY 8 2HA GLY 8 -4.029 -14.237 11.586 54 HA3 GLY 8 3HA GLY 8 -3.299 -15.681 12.304 55 H THR 9 H THR 9 -2.758 -13.448 9.483 56 HA THR 9 HA THR 9 0.043 -14.092 9.453 57 HB THR 9 HB THR 9 -1.175 -13.480 7.453 58 HG1 THR 9 1HG THR 9 1.011 -11.811 8.129 59 HG21 THR 9 1HG2 THR 9 -1.618 -11.131 6.954 60 HG22 THR 9 2HG2 THR 9 -2.522 -11.628 8.400 61 HG23 THR 9 3HG2 THR 9 -1.047 -10.653 8.566 62 H GLU 10 H GLU 10 -1.856 -11.751 11.102 63 HA GLU 10 HA GLU 10 -1.492 -10.389 12.791 64 HB2 GLU 10 2HB GLU 10 0.259 -12.192 13.445 65 HB3 GLU 10 3HB GLU 10 1.466 -11.031 12.880 66 HG2 GLU 10 2HG GLU 10 1.233 -10.734 15.241 67 HG3 GLU 10 3HG GLU 10 0.470 -9.336 14.476 68 H GLU 11 H GLU 11 -1.567 -8.254 12.636 69 HA GLU 11 HA GLU 11 -1.556 -6.271 11.584 70 HB2 GLU 11 2HB GLU 11 0.694 -6.417 12.915 71 HB3 GLU 11 3HB GLU 11 1.457 -6.499 11.335 72 HG2 GLU 11 2HG GLU 11 1.501 -4.215 12.030 73 HG3 GLU 11 3HG GLU 11 0.263 -4.285 10.779 74 H ASP 12 H ASP 12 0.705 -5.610 9.492 75 HA ASP 12 HA ASP 12 0.527 -5.474 7.122 76 HB2 ASP 12 2HB ASP 12 1.964 -7.974 8.110 77 HB3 ASP 12 3HB ASP 12 2.250 -7.160 6.564 78 H THR 13 H THR 13 -2.005 -6.093 7.173 79 HA THR 13 HA THR 13 -2.355 -8.651 5.809 80 HB THR 13 HB THR 13 -4.080 -7.271 7.188 81 HG1 THR 13 1HG THR 13 -5.077 -8.679 4.953 82 HG21 THR 13 1HG2 THR 13 -4.849 -6.462 4.373 83 HG22 THR 13 2HG2 THR 13 -5.792 -6.207 5.859 84 HG23 THR 13 3HG2 THR 13 -4.242 -5.360 5.641 85 H GLU 14 H GLU 14 -1.082 -8.816 4.137 86 HA GLU 14 HA GLU 14 -0.930 -6.788 2.012 87 HB2 GLU 14 2HB GLU 14 1.127 -8.005 2.664 88 HB3 GLU 14 3HB GLU 14 0.354 -9.563 2.424 89 HG2 GLU 14 2HG GLU 14 0.575 -7.543 0.181 90 HG3 GLU 14 3HG GLU 14 1.929 -8.612 0.569 91 H GLU 15 H GLU 15 -2.624 -6.894 0.464 92 HA GLU 15 HA GLU 15 -3.458 -9.523 -0.389 93 HB2 GLU 15 2HB GLU 15 -5.130 -7.788 1.335 94 HB3 GLU 15 3HB GLU 15 -5.977 -8.374 -0.094 95 HG2 GLU 15 2HG GLU 15 -5.738 -10.624 0.433 96 HG3 GLU 15 3HG GLU 15 -4.458 -10.362 1.597 97 H LYS 16 H LYS 16 -1.993 -8.368 -1.934 98 HA LYS 16 HA LYS 16 -1.698 -7.811 -4.117 99 HB2 LYS 16 2HB LYS 16 -4.749 -7.701 -4.343 100 HB3 LYS 16 3HB LYS 16 -3.600 -7.720 -5.653 101 HG2 LYS 16 2HG LYS 16 -4.571 -9.900 -5.452 102 HG3 LYS 16 3HG LYS 16 -2.864 -10.022 -4.990 103 HD2 LYS 16 2HD LYS 16 -3.392 -10.269 -2.704 104 HD3 LYS 16 3HD LYS 16 -5.070 -9.683 -2.944 105 HE2 LYS 16 2HE LYS 16 -5.636 -11.724 -4.125 106 HE3 LYS 16 3HE LYS 16 -3.956 -12.291 -4.021 107 HZ1 LYS 16 3HZ LYS 16 -5.349 -13.248 -2.286 108 HZ2 LYS 16 1HZ LYS 16 -4.164 -12.315 -1.628 109 HZ3 LYS 16 2HZ LYS 16 -5.704 -11.754 -1.695 110 H CYS 17 H CYS 17 -1.752 -5.796 -5.581 111 HA CYS 17 HA CYS 17 -2.084 -3.476 -3.929 112 HB2 CYS 17 2HB CYS 17 -0.150 -4.263 -5.637 113 HB3 CYS 17 3HB CYS 17 -1.178 -3.289 -6.683 114 H THR 18 H THR 18 -3.581 -2.060 -4.135 115 HA THR 18 HA THR 18 -5.578 -2.318 -6.325 116 HB THR 18 HB THR 18 -5.850 -2.232 -3.596 117 HG1 THR 18 1HG THR 18 -8.003 -2.277 -4.130 118 HG21 THR 18 1HG2 THR 18 -6.782 0.421 -4.720 119 HG22 THR 18 2HG2 THR 18 -7.138 -0.216 -3.098 120 HG23 THR 18 3HG2 THR 18 -5.465 0.183 -3.535 121 H ILE 19 H ILE 19 -3.093 -0.212 -4.924 122 HA ILE 19 HA ILE 19 -3.996 2.109 -6.337 123 HB ILE 19 HB ILE 19 -1.370 1.347 -4.959 124 HG12 ILE 19 2HG1 ILE 19 -2.403 3.366 -3.462 125 HG13 ILE 19 3HG1 ILE 19 -3.924 2.704 -4.004 126 HG21 ILE 19 1HG2 ILE 19 -0.932 3.002 -6.666 127 HG22 ILE 19 2HG2 ILE 19 -2.256 4.027 -6.051 128 HG23 ILE 19 3HG2 ILE 19 -0.798 3.721 -5.065 129 HD11 ILE 19 3HD1 ILE 19 -3.226 0.480 -3.078 130 HD12 ILE 19 1HD1 ILE 19 -1.648 1.176 -2.634 131 HD13 ILE 19 2HD1 ILE 19 -3.129 1.765 -1.866 132 H CYS 20 H CYS 20 -1.705 -0.546 -6.921 133 HA CYS 20 HA CYS 20 -0.948 0.617 -9.578 134 HB2 CYS 20 2HB CYS 20 -0.315 -2.108 -8.534 135 HB3 CYS 20 3HB CYS 20 0.391 -1.285 -9.920 136 H LEU 21 H LEU 21 -3.800 -0.714 -8.548 137 HA LEU 21 HA LEU 21 -5.134 -2.518 -9.138 138 HB2 LEU 21 2HB LEU 21 -4.724 -1.060 -11.682 139 HB3 LEU 21 3HB LEU 21 -5.792 -2.459 -11.525 140 HG LEU 21 HG LEU 21 -6.592 -1.065 -9.319 141 HD11 LEU 21 1HD1 LEU 21 -5.160 0.840 -9.844 142 HD12 LEU 21 2HD1 LEU 21 -5.938 1.018 -11.438 143 HD13 LEU 21 3HD1 LEU 21 -6.875 1.278 -9.943 144 HD21 LEU 21 3HD2 LEU 21 -7.634 -0.858 -12.155 145 HD22 LEU 21 1HD2 LEU 21 -7.975 -2.129 -10.949 146 HD23 LEU 21 2HD2 LEU 21 -8.547 -0.472 -10.670 147 H SER 22 H SER 22 -2.846 -3.818 -8.591 148 HA SER 22 HA SER 22 -2.808 -5.965 -10.500 149 HB2 SER 22 2HB SER 22 -1.281 -4.100 -11.538 150 HB3 SER 22 3HB SER 22 -0.143 -4.536 -10.248 151 HG SER 22 HG SER 22 -1.088 -6.024 -12.427 152 H ILE 23 H ILE 23 -1.262 -7.786 -9.693 153 HA ILE 23 HA ILE 23 -1.396 -7.803 -6.814 154 HB ILE 23 HB ILE 23 -0.543 -10.040 -7.017 155 HG12 ILE 23 2HG1 ILE 23 -0.739 -10.957 -9.479 156 HG13 ILE 23 3HG1 ILE 23 -0.136 -9.374 -9.950 157 HG21 ILE 23 1HG2 ILE 23 -2.924 -9.381 -7.208 158 HG22 ILE 23 2HG2 ILE 23 -2.788 -9.523 -8.974 159 HG23 ILE 23 3HG2 ILE 23 -2.518 -10.947 -7.937 160 HD11 ILE 23 3HD1 ILE 23 1.173 -11.249 -7.950 161 HD12 ILE 23 1HD1 ILE 23 1.686 -11.008 -9.638 162 HD13 ILE 23 2HD1 ILE 23 1.810 -9.669 -8.479 163 H LEU 24 H LEU 24 0.514 -8.415 -5.460 164 HA LEU 24 HA LEU 24 3.069 -7.534 -6.645 165 HB2 LEU 24 2HB LEU 24 3.643 -7.490 -4.157 166 HB3 LEU 24 3HB LEU 24 2.842 -6.082 -4.865 167 HG LEU 24 HG LEU 24 1.366 -8.202 -3.316 168 HD11 LEU 24 1HD1 LEU 24 1.603 -6.530 -1.419 169 HD12 LEU 24 2HD1 LEU 24 3.095 -7.406 -1.824 170 HD13 LEU 24 3HD1 LEU 24 2.856 -5.721 -2.368 171 HD21 LEU 24 3HD2 LEU 24 0.055 -6.436 -4.620 172 HD22 LEU 24 1HD2 LEU 24 -0.179 -6.334 -2.861 173 HD23 LEU 24 2HD2 LEU 24 0.894 -5.192 -3.690 174 H GLU 25 H GLU 25 4.921 -8.797 -5.862 175 HA GLU 25 HA GLU 25 4.431 -11.502 -4.973 176 HB2 GLU 25 2HB GLU 25 5.476 -12.535 -6.922 177 HB3 GLU 25 3HB GLU 25 3.972 -11.711 -7.362 178 HG2 GLU 25 2HG GLU 25 5.313 -9.733 -8.096 179 HG3 GLU 25 3HG GLU 25 6.792 -10.626 -7.716 180 H GLU 26 H GLU 26 6.676 -12.603 -4.770 181 HA GLU 26 HA GLU 26 8.388 -10.741 -3.423 182 HB2 GLU 26 2HB GLU 26 7.799 -12.991 -2.595 183 HB3 GLU 26 3HB GLU 26 8.701 -13.732 -3.920 184 HG2 GLU 26 2HG GLU 26 10.796 -12.878 -3.067 185 HG3 GLU 26 3HG GLU 26 9.967 -11.745 -1.990 186 H GLY 27 H GLY 27 8.924 -9.417 -5.229 187 HA2 GLY 27 2HA GLY 27 11.125 -10.488 -6.961 188 HA3 GLY 27 3HA GLY 27 9.750 -9.615 -7.647 189 H GLU 28 H GLU 28 9.567 -7.547 -5.482 190 HA GLU 28 HA GLU 28 12.183 -6.228 -5.598 191 HB2 GLU 28 2HB GLU 28 9.943 -5.477 -7.112 192 HB3 GLU 28 3HB GLU 28 9.832 -4.427 -5.745 193 HG2 GLU 28 2HG GLU 28 12.435 -4.772 -7.283 194 HG3 GLU 28 3HG GLU 28 11.152 -3.748 -7.924 195 H ASP 29 H ASP 29 11.665 -4.190 -4.134 196 HA ASP 29 HA ASP 29 11.170 -5.371 -1.463 197 HB2 ASP 29 2HB ASP 29 13.205 -3.968 -1.943 198 HB3 ASP 29 3HB ASP 29 12.144 -2.571 -2.178 199 H VAL 30 H VAL 30 9.227 -5.110 -0.468 200 HA VAL 30 HA VAL 30 7.249 -3.291 -1.726 201 HB VAL 30 HB VAL 30 5.622 -4.656 -0.429 202 HG11 VAL 30 1HG1 VAL 30 5.577 -6.445 -2.039 203 HG12 VAL 30 2HG1 VAL 30 6.030 -4.911 -2.799 204 HG13 VAL 30 3HG1 VAL 30 7.283 -6.130 -2.476 205 HG21 VAL 30 3HG2 VAL 30 7.295 -5.589 1.180 206 HG22 VAL 30 1HG2 VAL 30 6.217 -6.794 0.433 207 HG23 VAL 30 2HG2 VAL 30 7.890 -6.630 -0.142 208 H ARG 31 H ARG 31 5.509 -2.619 0.176 209 HA ARG 31 HA ARG 31 6.818 -2.191 2.688 210 HB2 ARG 31 2HB ARG 31 7.352 -0.181 0.819 211 HB3 ARG 31 3HB ARG 31 5.993 0.459 1.706 212 HG2 ARG 31 2HG ARG 31 8.057 1.231 2.717 213 HG3 ARG 31 3HG ARG 31 7.364 0.035 3.845 214 HD2 ARG 31 2HD ARG 31 8.839 -1.691 3.019 215 HD3 ARG 31 3HD ARG 31 9.316 -0.689 1.620 216 HE ARG 31 HE ARG 31 10.134 0.611 3.992 217 HH11 ARG 31 2HH2 ARG 31 10.720 -2.329 1.971 218 HH12 ARG 31 1HH2 ARG 31 12.383 -2.230 2.058 219 HH21 ARG 31 2HH1 ARG 31 12.501 0.547 4.327 220 HH22 ARG 31 1HH1 ARG 31 13.417 -0.715 3.563 221 H ARG 32 H ARG 32 5.322 -1.794 4.358 222 HA ARG 32 HA ARG 32 2.543 -1.479 3.478 223 HB2 ARG 32 2HB ARG 32 1.991 -1.832 5.864 224 HB3 ARG 32 3HB ARG 32 2.774 -3.218 5.150 225 HG2 ARG 32 2HG ARG 32 4.669 -1.359 6.511 226 HG3 ARG 32 3HG ARG 32 3.402 -2.014 7.555 227 HD2 ARG 32 2HD ARG 32 3.983 -4.309 6.498 228 HD3 ARG 32 3HD ARG 32 5.502 -3.566 5.998 229 HE ARG 32 HE ARG 32 4.528 -4.412 8.578 230 HH11 ARG 32 2HH2 ARG 32 6.963 -2.392 7.054 231 HH12 ARG 32 1HH2 ARG 32 8.095 -2.454 8.368 232 HH21 ARG 32 2HH1 ARG 32 5.919 -4.490 10.331 233 HH22 ARG 32 1HH1 ARG 32 7.453 -3.674 10.355 234 H LEU 33 H LEU 33 1.264 0.102 4.488 235 HA LEU 33 HA LEU 33 2.850 2.562 5.027 236 HB2 LEU 33 2HB LEU 33 0.028 2.892 5.468 237 HB3 LEU 33 3HB LEU 33 1.173 3.902 4.685 238 HG LEU 33 HG LEU 33 0.848 2.707 2.611 239 HD11 LEU 33 1HD1 LEU 33 0.222 0.515 2.875 240 HD12 LEU 33 2HD1 LEU 33 -0.864 0.857 4.220 241 HD13 LEU 33 3HD1 LEU 33 -1.368 1.246 2.582 242 HD21 LEU 33 3HD2 LEU 33 -0.481 4.651 3.175 243 HD22 LEU 33 1HD2 LEU 33 -1.410 3.518 2.177 244 HD23 LEU 33 2HD2 LEU 33 -1.717 3.610 3.922 245 HA PRO 34 HA PRO 34 2.342 1.794 9.459 246 HB2 PRO 34 2HB PRO 34 1.185 4.470 9.969 247 HB3 PRO 34 3HB PRO 34 2.683 3.752 10.597 248 HG2 PRO 34 2HG PRO 34 2.684 5.746 8.674 249 HG3 PRO 34 3HG PRO 34 3.948 4.487 8.788 250 HD2 PRO 34 2HD PRO 34 1.616 4.632 6.895 251 HD3 PRO 34 3HD PRO 34 3.286 4.064 6.606 252 H CYS 35 H CYS 35 -0.209 2.990 7.542 253 HA CYS 35 HA CYS 35 -2.766 2.636 8.491 254 HB2 CYS 35 2HB CYS 35 -1.861 3.218 6.287 255 HB3 CYS 35 3HB CYS 35 -1.442 1.499 6.093 256 H MET 36 H MET 36 -0.404 0.130 8.456 257 HA MET 36 HA MET 36 -0.458 -2.002 9.346 258 HB2 MET 36 2HB MET 36 -2.151 -1.835 10.840 259 HB3 MET 36 3HB MET 36 -3.409 -1.460 9.703 260 HG2 MET 36 2HG MET 36 -2.143 -4.199 9.795 261 HG3 MET 36 3HG MET 36 -3.519 -3.705 10.779 262 HE1 MET 36 3HE MET 36 -5.611 -5.865 8.503 263 HE2 MET 36 1HE MET 36 -4.102 -6.174 9.399 264 HE3 MET 36 2HE MET 36 -5.398 -5.204 10.139 265 H HIS 37 H HIS 37 -2.707 -1.230 6.752 266 HA HIS 37 HA HIS 37 -2.557 -3.772 5.444 267 HB2 HIS 37 1HB HIS 37 -3.121 -1.013 4.338 268 HB3 HIS 37 2HB HIS 37 -3.556 -2.513 3.589 269 HD2 HIS 37 2HD HIS 37 -5.548 -3.859 4.345 270 HE1 HIS 37 1HE HIS 37 -7.504 -0.793 6.629 271 HE2 HIS 37 2HE HIS 37 -7.802 -3.145 5.519 272 H LEU 38 H LEU 38 -1.281 -4.368 3.697 273 HA LEU 38 HA LEU 38 1.214 -2.808 3.333 274 HB2 LEU 38 2HB LEU 38 1.503 -4.911 4.429 275 HB3 LEU 38 3HB LEU 38 0.801 -5.778 3.062 276 HG LEU 38 HG LEU 38 3.207 -4.029 2.656 277 HD11 LEU 38 1HD1 LEU 38 3.273 -6.841 3.824 278 HD12 LEU 38 2HD1 LEU 38 4.688 -5.964 3.197 279 HD13 LEU 38 3HD1 LEU 38 3.820 -5.360 4.616 280 HD21 LEU 38 3HD2 LEU 38 2.814 -6.801 1.512 281 HD22 LEU 38 1HD2 LEU 38 1.961 -5.454 0.768 282 HD23 LEU 38 2HD2 LEU 38 3.730 -5.449 0.847 283 H PHE 39 H PHE 39 2.284 -2.667 1.328 284 HA PHE 39 HA PHE 39 0.808 -3.509 -1.086 285 HB2 PHE 39 2HB PHE 39 1.266 -0.608 -0.284 286 HB3 PHE 39 3HB PHE 39 1.027 -1.060 -1.964 287 HD1 PHE 39 1HD PHE 39 -0.955 -2.797 -2.333 288 HD2 PHE 39 2HD PHE 39 -0.701 -0.021 0.894 289 HE1 PHE 39 1HE PHE 39 -3.453 -2.819 -2.146 290 HE2 PHE 39 2HE PHE 39 -3.161 -0.095 1.170 291 HZ PHE 39 HZ PHE 39 -4.559 -1.360 -0.511 292 H HIS 40 H HIS 40 2.236 -2.223 -3.093 293 HA HIS 40 HA HIS 40 4.976 -3.181 -2.758 294 HB2 HIS 40 1HB HIS 40 3.835 -1.241 -4.796 295 HB3 HIS 40 2HB HIS 40 5.449 -1.876 -4.805 296 HD2 HIS 40 2HD HIS 40 5.777 -4.525 -5.481 297 HE1 HIS 40 1HE HIS 40 2.210 -4.537 -7.829 298 HE2 HIS 40 2HE HIS 40 4.397 -5.747 -7.369 299 H GLN 41 H GLN 41 6.781 -1.760 -2.524 300 HA GLN 41 HA GLN 41 6.466 0.525 -0.900 301 HB2 GLN 41 2HB GLN 41 8.526 -0.842 -0.936 302 HB3 GLN 41 3HB GLN 41 8.691 -0.594 -2.662 303 HG2 GLN 41 2HG GLN 41 8.776 1.858 -0.936 304 HG3 GLN 41 3HG GLN 41 10.149 0.746 -0.862 305 HE21 GLN 41 1HE2 GLN 41 10.859 -0.127 -3.225 306 HE22 GLN 41 2HE2 GLN 41 11.017 1.172 -4.372 307 H VAL 42 H VAL 42 7.369 0.200 -4.346 308 HA VAL 42 HA VAL 42 7.393 2.955 -4.863 309 HB VAL 42 HB VAL 42 7.970 0.733 -6.254 310 HG11 VAL 42 1HG1 VAL 42 5.530 1.728 -7.762 311 HG12 VAL 42 2HG1 VAL 42 6.661 0.462 -8.255 312 HG13 VAL 42 3HG1 VAL 42 5.619 0.203 -6.845 313 HG21 VAL 42 3HG2 VAL 42 7.404 3.463 -7.484 314 HG22 VAL 42 1HG2 VAL 42 8.897 2.970 -6.658 315 HG23 VAL 42 2HG2 VAL 42 8.447 2.207 -8.195 316 H CYS 43 H CYS 43 4.699 0.940 -4.312 317 HA CYS 43 HA CYS 43 2.674 2.822 -5.583 318 HB2 CYS 43 2HB CYS 43 2.478 0.319 -3.914 319 HB3 CYS 43 3HB CYS 43 1.144 1.312 -4.467 320 H VAL 44 H VAL 44 3.964 1.863 -2.306 321 HA VAL 44 HA VAL 44 1.973 3.236 -0.854 322 HB VAL 44 HB VAL 44 4.084 1.527 -0.306 323 HG11 VAL 44 1HG1 VAL 44 5.594 2.617 1.261 324 HG12 VAL 44 2HG1 VAL 44 5.768 3.321 -0.349 325 HG13 VAL 44 3HG1 VAL 44 4.879 4.196 0.921 326 HG21 VAL 44 3HG2 VAL 44 3.426 1.794 2.025 327 HG22 VAL 44 1HG2 VAL 44 2.632 3.337 1.610 328 HG23 VAL 44 2HG2 VAL 44 2.025 1.788 0.935 329 H ASP 45 H ASP 45 4.808 4.120 -2.587 330 HA ASP 45 HA ASP 45 5.236 6.741 -1.367 331 HB2 ASP 45 2HB ASP 45 7.090 5.623 -2.478 332 HB3 ASP 45 3HB ASP 45 6.188 5.507 -3.994 333 H GLN 46 H GLN 46 4.281 6.055 -4.771 334 HA GLN 46 HA GLN 46 3.253 8.584 -5.268 335 HB2 GLN 46 2HB GLN 46 2.394 5.902 -6.433 336 HB3 GLN 46 3HB GLN 46 1.996 7.479 -7.138 337 HG2 GLN 46 2HG GLN 46 4.360 7.997 -7.467 338 HG3 GLN 46 3HG GLN 46 4.858 6.509 -6.660 339 HE21 GLN 46 1HE2 GLN 46 4.405 4.429 -7.655 340 HE22 GLN 46 2HE2 GLN 46 4.085 4.371 -9.394 341 H TRP 47 H TRP 47 1.695 5.917 -3.569 342 HA TRP 47 HA TRP 47 -0.942 7.021 -3.625 343 HB2 TRP 47 2HB TRP 47 -0.396 4.655 -3.022 344 HB3 TRP 47 3HB TRP 47 0.319 5.225 -1.513 345 HD1 TRP 47 HD1 TRP 47 -1.340 4.963 0.398 346 HE1 TRP 47 HE1 TRP 47 -3.888 5.185 0.710 347 HE3 TRP 47 HE3 TRP 47 -2.716 6.312 -4.373 348 HZ2 TRP 47 HZ2 TRP 47 -6.144 5.231 -0.973 349 HZ3 TRP 47 HZ3 TRP 47 -5.038 6.672 -4.921 350 HH2 TRP 47 HH2 TRP 47 -6.852 6.058 -3.274 351 H LEU 48 H LEU 48 1.597 7.091 -1.066 352 HA LEU 48 HA LEU 48 0.388 8.924 0.625 353 HB2 LEU 48 2HB LEU 48 3.124 7.905 0.080 354 HB3 LEU 48 3HB LEU 48 3.124 9.494 0.743 355 HG LEU 48 HG LEU 48 1.668 7.105 1.959 356 HD11 LEU 48 1HD1 LEU 48 4.135 6.909 2.012 357 HD12 LEU 48 2HD1 LEU 48 4.245 8.504 2.793 358 HD13 LEU 48 3HD1 LEU 48 3.468 7.146 3.640 359 HD21 LEU 48 3HD2 LEU 48 1.544 8.563 4.006 360 HD22 LEU 48 1HD2 LEU 48 2.144 9.926 3.040 361 HD23 LEU 48 2HD2 LEU 48 0.568 9.188 2.683 362 H ILE 49 H ILE 49 2.229 9.590 -2.407 363 HA ILE 49 HA ILE 49 2.279 12.397 -2.113 364 HB ILE 49 HB ILE 49 2.258 10.616 -4.550 365 HG12 ILE 49 2HG1 ILE 49 4.158 10.275 -2.975 366 HG13 ILE 49 3HG1 ILE 49 4.581 10.774 -4.598 367 HG21 ILE 49 1HG2 ILE 49 1.556 12.743 -5.333 368 HG22 ILE 49 2HG2 ILE 49 2.760 13.582 -4.337 369 HG23 ILE 49 3HG2 ILE 49 3.274 12.576 -5.719 370 HD11 ILE 49 3HD1 ILE 49 4.401 12.612 -2.199 371 HD12 ILE 49 1HD1 ILE 49 5.897 11.932 -2.879 372 HD13 ILE 49 2HD1 ILE 49 4.926 13.064 -3.845 373 H THR 50 H THR 50 -0.291 10.182 -3.433 374 HA THR 50 HA THR 50 -1.915 12.534 -4.139 375 HB THR 50 HB THR 50 -3.476 10.744 -4.996 376 HG1 THR 50 1HG THR 50 -1.250 9.020 -4.734 377 HG21 THR 50 1HG2 THR 50 -2.098 10.234 -6.973 378 HG22 THR 50 2HG2 THR 50 -1.895 11.925 -6.480 379 HG23 THR 50 3HG2 THR 50 -0.630 10.733 -6.106 380 H ASN 51 H ASN 51 -2.817 9.465 -2.463 381 HA ASN 51 HA ASN 51 -4.662 11.098 -0.778 382 HB2 ASN 51 2HB ASN 51 -4.623 8.244 -1.729 383 HB3 ASN 51 3HB ASN 51 -5.379 8.604 -0.185 384 HD21 ASN 51 1HD2 ASN 51 -5.747 8.808 -3.601 385 HD22 ASN 51 2HD2 ASN 51 -7.275 9.676 -3.610 386 H LYS 52 H LYS 52 -3.672 11.752 1.043 387 HA LYS 52 HA LYS 52 -1.753 10.023 2.434 388 HB2 LYS 52 2HB LYS 52 -2.966 12.747 3.113 389 HB3 LYS 52 3HB LYS 52 -1.804 11.888 4.122 390 HG2 LYS 52 2HG LYS 52 -0.476 13.367 2.939 391 HG3 LYS 52 3HG LYS 52 -0.225 11.822 2.139 392 HD2 LYS 52 2HD LYS 52 -1.792 12.581 0.315 393 HD3 LYS 52 3HD LYS 52 -1.975 14.134 1.150 394 HE2 LYS 52 2HE LYS 52 0.840 13.410 0.829 395 HE3 LYS 52 3HE LYS 52 0.004 13.224 -0.703 396 HZ1 LYS 52 3HZ LYS 52 0.035 15.695 0.883 397 HZ2 LYS 52 1HZ LYS 52 0.895 15.407 -0.481 398 HZ3 LYS 52 2HZ LYS 52 -0.744 15.479 -0.562 399 H LYS 53 H LYS 53 -4.255 8.656 2.092 400 HA LYS 53 HA LYS 53 -4.955 8.296 4.893 401 HB2 LYS 53 2HB LYS 53 -7.118 8.389 2.721 402 HB3 LYS 53 3HB LYS 53 -7.284 7.860 4.366 403 HG2 LYS 53 2HG LYS 53 -7.995 9.968 4.766 404 HG3 LYS 53 3HG LYS 53 -6.269 10.246 4.951 405 HD2 LYS 53 2HD LYS 53 -7.101 12.013 3.622 406 HD3 LYS 53 3HD LYS 53 -6.209 10.957 2.506 407 HE2 LYS 53 2HE LYS 53 -8.347 9.864 1.853 408 HE3 LYS 53 3HE LYS 53 -9.216 10.888 3.011 409 HZ1 LYS 53 3HZ LYS 53 -9.411 11.818 0.847 410 HZ2 LYS 53 1HZ LYS 53 -8.424 12.807 1.715 411 HZ3 LYS 53 2HZ LYS 53 -7.795 11.770 0.577 412 H CYS 54 H CYS 54 -5.975 6.222 5.183 413 HA CYS 54 HA CYS 54 -4.350 4.142 3.852 414 HB2 CYS 54 2HB CYS 54 -5.382 4.227 6.275 415 HB3 CYS 54 3HB CYS 54 -6.854 3.694 5.429 416 HA PRO 55 HA PRO 55 -7.295 4.044 0.432 417 HB2 PRO 55 2HB PRO 55 -6.541 1.718 -0.783 418 HB3 PRO 55 3HB PRO 55 -5.515 3.149 -0.856 419 HG2 PRO 55 2HG PRO 55 -5.260 0.817 1.016 420 HG3 PRO 55 3HG PRO 55 -3.985 1.664 0.075 421 HD2 PRO 55 2HD PRO 55 -4.482 2.192 2.691 422 HD3 PRO 55 3HD PRO 55 -3.886 3.427 1.584 423 H ILE 56 H ILE 56 -6.742 1.301 2.666 424 HA ILE 56 HA ILE 56 -9.432 0.267 2.068 425 HB ILE 56 HB ILE 56 -7.117 -0.943 3.513 426 HG12 ILE 56 2HG1 ILE 56 -8.388 -1.926 0.940 427 HG13 ILE 56 3HG1 ILE 56 -7.214 -0.610 0.860 428 HG21 ILE 56 1HG2 ILE 56 -9.277 -1.769 4.436 429 HG22 ILE 56 2HG2 ILE 56 -9.905 -1.996 2.801 430 HG23 ILE 56 3HG2 ILE 56 -8.590 -3.025 3.385 431 HD11 ILE 56 3HD1 ILE 56 -6.705 -3.279 2.194 432 HD12 ILE 56 1HD1 ILE 56 -6.108 -2.774 0.599 433 HD13 ILE 56 2HD1 ILE 56 -5.562 -1.921 2.067 434 H CYS 57 H CYS 57 -7.386 1.240 4.990 435 HA CYS 57 HA CYS 57 -9.676 0.995 6.807 436 HB2 CYS 57 2HB CYS 57 -7.414 2.900 7.236 437 HB3 CYS 57 3HB CYS 57 -8.537 2.191 8.372 438 H ARG 58 H ARG 58 -8.676 3.456 4.435 439 HA ARG 58 HA ARG 58 -9.533 5.388 3.744 440 HB2 ARG 58 2HB ARG 58 -11.613 3.684 4.008 441 HB3 ARG 58 3HB ARG 58 -12.166 4.925 5.121 442 HG2 ARG 58 2HG ARG 58 -11.423 5.283 2.180 443 HG3 ARG 58 3HG ARG 58 -13.055 5.189 2.843 444 HD2 ARG 58 2HD ARG 58 -12.556 7.248 4.211 445 HD3 ARG 58 3HD ARG 58 -11.044 7.425 3.309 446 HE ARG 58 HE ARG 58 -13.728 8.073 2.501 447 HH11 ARG 58 2HH2 ARG 58 -10.640 7.012 1.176 448 HH12 ARG 58 1HH2 ARG 58 -10.898 7.657 -0.408 449 HH21 ARG 58 2HH1 ARG 58 -14.123 8.942 0.391 450 HH22 ARG 58 1HH1 ARG 58 -12.948 8.785 -0.859 451 H VAL 59 H VAL 59 -8.038 5.522 6.315 452 HA VAL 59 HA VAL 59 -9.165 8.143 7.096 453 HB VAL 59 HB VAL 59 -8.880 7.779 9.330 454 HG11 VAL 59 1HG1 VAL 59 -10.832 6.578 8.352 455 HG12 VAL 59 2HG1 VAL 59 -9.851 5.085 8.370 456 HG13 VAL 59 3HG1 VAL 59 -10.290 5.883 9.899 457 HG21 VAL 59 3HG2 VAL 59 -6.755 6.767 9.533 458 HG22 VAL 59 1HG2 VAL 59 -7.897 5.710 10.369 459 HG23 VAL 59 2HG2 VAL 59 -7.310 5.258 8.751 460 H ASP 60 H ASP 60 -7.526 9.634 7.982 461 HA ASP 60 HA ASP 60 -5.097 9.366 6.551 462 HB2 ASP 60 2HB ASP 60 -5.586 11.278 8.869 463 HB3 ASP 60 3HB ASP 60 -4.545 11.468 7.486 464 H ILE 61 H ILE 61 -3.437 8.139 7.142 465 HA ILE 61 HA ILE 61 -3.223 6.597 9.281 466 HB ILE 61 HB ILE 61 -0.861 7.828 7.855 467 HG12 ILE 61 2HG1 ILE 61 -1.378 5.394 6.663 468 HG13 ILE 61 3HG1 ILE 61 -3.016 5.954 6.936 469 HG21 ILE 61 1HG2 ILE 61 -0.297 6.477 9.823 470 HG22 ILE 61 2HG2 ILE 61 -1.326 5.157 9.222 471 HG23 ILE 61 3HG2 ILE 61 0.144 5.637 8.328 472 HD11 ILE 61 3HD1 ILE 61 -2.346 8.101 5.731 473 HD12 ILE 61 1HD1 ILE 61 -0.766 7.368 5.437 474 HD13 ILE 61 2HD1 ILE 61 -2.228 6.639 4.732 475 H GLU 62 H GLU 62 -2.269 9.962 9.081 476 HA GLU 62 HA GLU 62 -2.581 10.675 11.607 477 HB2 GLU 62 2HB GLU 62 0.016 9.318 11.493 478 HB3 GLU 62 3HB GLU 62 0.234 11.025 11.887 479 HG2 GLU 62 2HG GLU 62 -1.550 10.850 13.619 480 HG3 GLU 62 3HG GLU 62 -1.610 9.108 13.354 481 H ALA 63 H ALA 63 -3.431 12.363 10.421 482 HA ALA 63 HA ALA 63 -3.543 14.186 9.067 483 HB1 ALA 63 1HB ALA 63 -0.978 14.841 10.558 484 HB2 ALA 63 2HB ALA 63 -2.019 16.008 9.696 485 HB3 ALA 63 3HB ALA 63 -2.633 15.141 11.111 486 H GLN 64 H GLN 64 -0.322 15.036 8.601 487 HA GLN 64 HA GLN 64 -0.221 13.662 5.971 488 HB2 GLN 64 2HB GLN 64 -1.172 15.845 5.588 489 HB3 GLN 64 3HB GLN 64 0.142 16.648 6.474 490 HG2 GLN 64 2HG GLN 64 1.750 16.132 4.802 491 HG3 GLN 64 3HG GLN 64 0.742 14.871 4.100 492 HE21 GLN 64 1HE2 GLN 64 -1.078 17.797 4.801 493 HE22 GLN 64 2HE2 GLN 64 -1.053 18.374 3.146 494 H LEU 65 H LEU 65 1.609 12.557 5.875 495 HA LEU 65 HA LEU 65 3.826 13.276 7.719 496 HB2 LEU 65 2HB LEU 65 4.268 10.821 7.706 497 HB3 LEU 65 3HB LEU 65 2.827 11.342 8.560 498 HG LEU 65 HG LEU 65 2.372 10.537 5.707 499 HD11 LEU 65 1HD1 LEU 65 2.392 8.127 6.285 500 HD12 LEU 65 2HD1 LEU 65 4.011 8.845 6.358 501 HD13 LEU 65 3HD1 LEU 65 3.116 8.518 7.862 502 HD21 LEU 65 3HD2 LEU 65 0.533 11.164 7.312 503 HD22 LEU 65 1HD2 LEU 65 0.378 9.532 6.644 504 HD23 LEU 65 2HD2 LEU 65 0.977 9.770 8.301 505 HA PRO 66 HA PRO 66 5.791 13.372 3.586 506 HB2 PRO 66 2HB PRO 66 7.529 15.425 4.029 507 HB3 PRO 66 3HB PRO 66 5.786 15.731 3.734 508 HG2 PRO 66 2HG PRO 66 7.210 15.536 6.412 509 HG3 PRO 66 3HG PRO 66 6.112 16.835 5.842 510 HD2 PRO 66 2HD PRO 66 5.253 14.761 7.398 511 HD3 PRO 66 3HD PRO 66 4.209 15.469 6.125 512 H SER 67 H SER 67 8.211 13.185 3.061 513 HA SER 67 HA SER 67 9.927 12.132 5.130 514 HB2 SER 67 2HB SER 67 8.266 10.260 4.618 515 HB3 SER 67 3HB SER 67 8.877 10.268 2.955 516 HG SER 67 HG SER 67 10.242 8.870 3.820 517 H GLU 68 H GLU 68 11.720 10.813 3.474 518 HA GLU 68 HA GLU 68 12.133 12.422 1.050 519 HB2 GLU 68 2HB GLU 68 13.487 13.382 2.969 520 HB3 GLU 68 3HB GLU 68 14.341 11.832 3.072 521 HG2 GLU 68 2HG GLU 68 15.080 12.113 0.704 522 HG3 GLU 68 3HG GLU 68 14.219 13.656 0.626 523 H SER 69 H SER 69 13.200 11.075 -0.606 524 HA SER 69 HA SER 69 13.626 8.250 -0.004 525 HB2 SER 69 2HB SER 69 11.637 9.285 -2.075 526 HB3 SER 69 3HB SER 69 12.100 7.596 -1.822 527 HG SER 69 HG SER 69 10.065 8.279 -0.845 Start of MODEL 13 1 H1 MET 1 H1 MET 1 3.358 -6.952 19.838 2 H2 MET 1 H2 MET 1 2.747 -5.769 18.858 3 H3 MET 1 H3 MET 1 1.916 -6.252 20.205 4 HA MET 1 HA MET 1 0.916 -7.136 18.231 5 HB2 MET 1 2HB MET 1 3.635 -8.456 17.926 6 HB3 MET 1 3HB MET 1 2.168 -8.973 17.072 7 HG2 MET 1 2HG MET 1 1.947 -6.906 15.921 8 HG3 MET 1 3HG MET 1 3.142 -6.112 16.943 9 HE1 MET 1 3HE MET 1 4.697 -5.100 15.296 10 HE2 MET 1 1HE MET 1 5.584 -5.981 16.569 11 HE3 MET 1 2HE MET 1 6.122 -6.084 14.877 12 H LYS 2 H LYS 2 2.610 -10.112 19.040 13 HA LYS 2 HA LYS 2 0.890 -10.377 21.446 14 HB2 LYS 2 2HB LYS 2 0.928 -11.928 18.925 15 HB3 LYS 2 3HB LYS 2 1.100 -12.960 20.338 16 HG2 LYS 2 2HG LYS 2 -1.034 -10.794 20.197 17 HG3 LYS 2 3HG LYS 2 -1.300 -12.420 19.548 18 HD2 LYS 2 2HD LYS 2 -1.000 -13.456 21.680 19 HD3 LYS 2 3HD LYS 2 -0.380 -11.964 22.416 20 HE2 LYS 2 2HE LYS 2 -2.530 -10.865 22.173 21 HE3 LYS 2 3HE LYS 2 -3.195 -12.256 21.301 22 HZ1 LYS 2 3HZ LYS 2 -2.210 -12.364 24.090 23 HZ2 LYS 2 1HZ LYS 2 -3.796 -12.214 23.662 24 HZ3 LYS 2 2HZ LYS 2 -2.956 -13.573 23.271 25 H GLN 3 H GLN 3 1.699 -12.737 22.373 26 HA GLN 3 HA GLN 3 4.352 -12.245 23.473 27 HB2 GLN 3 2HB GLN 3 2.269 -14.458 23.725 28 HB3 GLN 3 3HB GLN 3 3.798 -14.462 24.616 29 HG2 GLN 3 2HG GLN 3 3.235 -12.559 25.892 30 HG3 GLN 3 3HG GLN 3 1.976 -12.041 24.776 31 HE21 GLN 3 1HE2 GLN 3 2.689 -14.197 27.487 32 HE22 GLN 3 2HE2 GLN 3 1.017 -14.674 27.722 33 H ASP 4 H ASP 4 5.621 -14.560 23.522 34 HA ASP 4 HA ASP 4 6.794 -14.817 20.959 35 HB2 ASP 4 2HB ASP 4 7.912 -16.805 21.943 36 HB3 ASP 4 3HB ASP 4 8.054 -15.348 22.923 37 H GLY 5 H GLY 5 6.417 -16.115 19.254 38 HA2 GLY 5 2HA GLY 5 4.863 -18.439 19.071 39 HA3 GLY 5 3HA GLY 5 3.808 -17.024 18.818 40 H GLU 6 H GLU 6 3.861 -18.287 16.493 41 HA GLU 6 HA GLU 6 5.664 -16.770 14.837 42 HB2 GLU 6 2HB GLU 6 6.968 -18.808 15.404 43 HB3 GLU 6 3HB GLU 6 5.626 -19.825 14.861 44 HG2 GLU 6 2HG GLU 6 5.876 -18.961 12.561 45 HG3 GLU 6 3HG GLU 6 7.134 -17.841 13.102 46 H GLU 7 H GLU 7 4.485 -16.163 12.999 47 HA GLU 7 HA GLU 7 2.537 -17.888 11.822 48 HB2 GLU 7 2HB GLU 7 1.485 -16.341 13.884 49 HB3 GLU 7 3HB GLU 7 1.295 -15.254 12.515 50 HG2 GLU 7 2HG GLU 7 0.229 -18.100 12.791 51 HG3 GLU 7 3HG GLU 7 -0.722 -16.609 12.811 52 H GLY 8 H GLY 8 1.893 -16.839 9.663 53 HA2 GLY 8 2HA GLY 8 3.999 -15.048 8.690 54 HA3 GLY 8 3HA GLY 8 2.741 -15.856 7.748 55 H THR 9 H THR 9 0.741 -14.578 10.016 56 HA THR 9 HA THR 9 0.748 -11.873 8.851 57 HB THR 9 HB THR 9 -1.627 -12.056 8.519 58 HG1 THR 9 1HG THR 9 -1.353 -14.676 9.545 59 HG21 THR 9 1HG2 THR 9 -1.723 -13.565 6.625 60 HG22 THR 9 2HG2 THR 9 -0.129 -12.781 6.655 61 HG23 THR 9 3HG2 THR 9 -0.314 -14.466 7.204 62 H GLU 10 H GLU 10 0.181 -10.239 10.323 63 HA GLU 10 HA GLU 10 -1.074 -11.034 12.868 64 HB2 GLU 10 2HB GLU 10 1.675 -9.741 12.719 65 HB3 GLU 10 3HB GLU 10 0.581 -9.488 14.084 66 HG2 GLU 10 2HG GLU 10 0.424 -12.068 14.229 67 HG3 GLU 10 3HG GLU 10 1.877 -12.080 13.216 68 H GLU 11 H GLU 11 0.563 -8.092 11.544 69 HA GLU 11 HA GLU 11 -1.962 -6.633 12.176 70 HB2 GLU 11 2HB GLU 11 -0.706 -4.769 12.828 71 HB3 GLU 11 3HB GLU 11 0.140 -6.149 13.512 72 HG2 GLU 11 2HG GLU 11 1.740 -6.042 11.542 73 HG3 GLU 11 3HG GLU 11 0.917 -4.557 11.026 74 H ASP 12 H ASP 12 0.687 -6.862 9.940 75 HA ASP 12 HA ASP 12 -0.691 -5.565 7.717 76 HB2 ASP 12 2HB ASP 12 1.236 -6.789 6.425 77 HB3 ASP 12 3HB ASP 12 1.472 -5.290 7.277 78 H THR 13 H THR 13 -2.617 -6.627 7.738 79 HA THR 13 HA THR 13 -2.571 -9.230 6.371 80 HB THR 13 HB THR 13 -4.694 -8.202 7.312 81 HG1 THR 13 1HG THR 13 -4.766 -9.858 5.769 82 HG21 THR 13 1HG2 THR 13 -4.567 -6.535 4.773 83 HG22 THR 13 2HG2 THR 13 -5.859 -6.556 5.996 84 HG23 THR 13 3HG2 THR 13 -4.257 -5.890 6.416 85 H GLU 14 H GLU 14 -1.676 -9.479 4.367 86 HA GLU 14 HA GLU 14 -1.187 -7.068 2.750 87 HB2 GLU 14 2HB GLU 14 0.517 -8.426 1.573 88 HB3 GLU 14 3HB GLU 14 0.949 -8.091 3.254 89 HG2 GLU 14 2HG GLU 14 0.473 -10.330 3.948 90 HG3 GLU 14 3HG GLU 14 -0.289 -10.730 2.404 91 H GLU 15 H GLU 15 -2.125 -7.163 0.680 92 HA GLU 15 HA GLU 15 -3.043 -9.722 -0.248 93 HB2 GLU 15 2HB GLU 15 -4.965 -8.261 1.048 94 HB3 GLU 15 3HB GLU 15 -5.105 -7.568 -0.569 95 HG2 GLU 15 2HG GLU 15 -5.221 -10.055 -1.388 96 HG3 GLU 15 3HG GLU 15 -5.436 -10.469 0.305 97 H LYS 16 H LYS 16 -4.172 -9.046 -2.557 98 HA LYS 16 HA LYS 16 -2.339 -8.158 -4.368 99 HB2 LYS 16 2HB LYS 16 -4.347 -7.463 -5.805 100 HB3 LYS 16 3HB LYS 16 -4.283 -9.144 -5.236 101 HG2 LYS 16 2HG LYS 16 -5.834 -8.755 -3.511 102 HG3 LYS 16 3HG LYS 16 -5.783 -6.999 -3.720 103 HD2 LYS 16 2HD LYS 16 -7.026 -7.160 -5.776 104 HD3 LYS 16 3HD LYS 16 -6.820 -8.939 -5.823 105 HE2 LYS 16 2HE LYS 16 -8.039 -9.189 -3.717 106 HE3 LYS 16 3HE LYS 16 -8.182 -7.451 -3.531 107 HZ1 LYS 16 3HZ LYS 16 -9.572 -7.430 -5.513 108 HZ2 LYS 16 1HZ LYS 16 -9.428 -9.072 -5.658 109 HZ3 LYS 16 2HZ LYS 16 -10.187 -8.424 -4.350 110 H CYS 17 H CYS 17 -1.706 -6.159 -5.365 111 HA CYS 17 HA CYS 17 -1.843 -3.898 -3.649 112 HB2 CYS 17 2HB CYS 17 0.025 -4.570 -5.259 113 HB3 CYS 17 3HB CYS 17 -1.022 -3.891 -6.520 114 H THR 18 H THR 18 -3.111 -2.170 -3.893 115 HA THR 18 HA THR 18 -5.386 -2.386 -5.832 116 HB THR 18 HB THR 18 -5.540 -2.471 -3.137 117 HG1 THR 18 1HG THR 18 -7.715 -2.253 -3.554 118 HG21 THR 18 1HG2 THR 18 -4.959 -0.081 -2.912 119 HG22 THR 18 2HG2 THR 18 -6.323 0.335 -3.986 120 HG23 THR 18 3HG2 THR 18 -6.633 -0.413 -2.404 121 H ILE 19 H ILE 19 -2.722 -0.393 -4.696 122 HA ILE 19 HA ILE 19 -3.557 1.950 -6.128 123 HB ILE 19 HB ILE 19 -0.895 0.922 -5.024 124 HG12 ILE 19 2HG1 ILE 19 -1.519 3.159 -3.591 125 HG13 ILE 19 3HG1 ILE 19 -3.145 2.612 -3.937 126 HG21 ILE 19 1HG2 ILE 19 -1.536 3.636 -6.203 127 HG22 ILE 19 2HG2 ILE 19 -0.038 3.199 -5.333 128 HG23 ILE 19 3HG2 ILE 19 -0.428 2.406 -6.866 129 HD11 ILE 19 3HD1 ILE 19 -0.963 0.833 -2.744 130 HD12 ILE 19 1HD1 ILE 19 -2.072 1.810 -1.780 131 HD13 ILE 19 2HD1 ILE 19 -2.719 0.510 -2.797 132 H CYS 20 H CYS 20 -1.673 -1.004 -6.822 133 HA CYS 20 HA CYS 20 -1.151 -0.078 -9.620 134 HB2 CYS 20 2HB CYS 20 -0.535 -2.707 -8.340 135 HB3 CYS 20 3HB CYS 20 0.014 -2.116 -9.902 136 H LEU 21 H LEU 21 -3.942 -0.940 -8.205 137 HA LEU 21 HA LEU 21 -5.633 -2.434 -8.526 138 HB2 LEU 21 2HB LEU 21 -5.259 -1.157 -11.176 139 HB3 LEU 21 3HB LEU 21 -6.554 -2.319 -10.854 140 HG LEU 21 HG LEU 21 -7.059 -0.925 -8.747 141 HD11 LEU 21 1HD1 LEU 21 -5.749 1.192 -10.517 142 HD12 LEU 21 2HD1 LEU 21 -6.656 1.482 -9.009 143 HD13 LEU 21 3HD1 LEU 21 -5.126 0.604 -8.965 144 HD21 LEU 21 3HD2 LEU 21 -8.582 -1.232 -10.644 145 HD22 LEU 21 1HD2 LEU 21 -8.644 0.447 -10.079 146 HD23 LEU 21 2HD2 LEU 21 -7.740 0.040 -11.558 147 H SER 22 H SER 22 -3.516 -4.100 -8.253 148 HA SER 22 HA SER 22 -4.097 -6.386 -9.929 149 HB2 SER 22 2HB SER 22 -1.658 -4.697 -10.550 150 HB3 SER 22 3HB SER 22 -1.573 -6.456 -10.727 151 HG SER 22 HG SER 22 -3.542 -4.817 -11.930 152 H ILE 23 H ILE 23 -2.811 -8.295 -9.341 153 HA ILE 23 HA ILE 23 -2.226 -8.602 -6.643 154 HB ILE 23 HB ILE 23 -1.134 -10.686 -7.348 155 HG12 ILE 23 2HG1 ILE 23 -1.832 -11.317 -9.794 156 HG13 ILE 23 3HG1 ILE 23 -1.613 -9.615 -10.163 157 HG21 ILE 23 1HG2 ILE 23 -3.881 -10.134 -8.510 158 HG22 ILE 23 2HG2 ILE 23 -3.199 -11.718 -8.072 159 HG23 ILE 23 3HG2 ILE 23 -3.496 -10.524 -6.811 160 HD11 ILE 23 3HD1 ILE 23 0.425 -10.950 -10.563 161 HD12 ILE 23 1HD1 ILE 23 0.680 -9.720 -9.309 162 HD13 ILE 23 2HD1 ILE 23 0.433 -11.425 -8.846 163 H LEU 24 H LEU 24 -0.239 -8.924 -5.506 164 HA LEU 24 HA LEU 24 1.869 -7.102 -6.235 165 HB2 LEU 24 2HB LEU 24 1.292 -9.097 -4.008 166 HB3 LEU 24 3HB LEU 24 2.908 -8.457 -4.216 167 HG LEU 24 HG LEU 24 0.448 -6.753 -3.869 168 HD11 LEU 24 1HD1 LEU 24 1.243 -6.359 -1.550 169 HD12 LEU 24 2HD1 LEU 24 0.898 -8.072 -1.818 170 HD13 LEU 24 3HD1 LEU 24 2.582 -7.501 -1.815 171 HD21 LEU 24 3HD2 LEU 24 3.410 -6.066 -3.777 172 HD22 LEU 24 1HD2 LEU 24 2.217 -5.514 -4.974 173 HD23 LEU 24 2HD2 LEU 24 2.100 -4.960 -3.303 174 H GLU 25 H GLU 25 4.086 -7.895 -6.228 175 HA GLU 25 HA GLU 25 4.521 -10.411 -7.688 176 HB2 GLU 25 2HB GLU 25 5.514 -9.210 -9.585 177 HB3 GLU 25 3HB GLU 25 3.831 -8.680 -9.362 178 HG2 GLU 25 2HG GLU 25 4.828 -6.852 -7.843 179 HG3 GLU 25 3HG GLU 25 6.386 -7.241 -8.546 180 H GLU 26 H GLU 26 6.813 -11.006 -7.592 181 HA GLU 26 HA GLU 26 8.318 -9.730 -5.485 182 HB2 GLU 26 2HB GLU 26 8.865 -12.045 -7.382 183 HB3 GLU 26 3HB GLU 26 10.004 -11.500 -6.130 184 HG2 GLU 26 2HG GLU 26 8.372 -11.956 -4.370 185 HG3 GLU 26 3HG GLU 26 7.138 -12.381 -5.562 186 H GLY 27 H GLY 27 8.238 -7.617 -6.633 187 HA2 GLY 27 2HA GLY 27 10.031 -7.398 -9.012 188 HA3 GLY 27 3HA GLY 27 8.906 -6.166 -8.422 189 H GLU 28 H GLU 28 9.491 -5.578 -5.900 190 HA GLU 28 HA GLU 28 12.350 -5.395 -5.444 191 HB2 GLU 28 2HB GLU 28 11.275 -3.318 -6.677 192 HB3 GLU 28 3HB GLU 28 10.511 -3.012 -5.126 193 HG2 GLU 28 2HG GLU 28 13.230 -3.573 -4.552 194 HG3 GLU 28 3HG GLU 28 13.295 -2.625 -6.032 195 H ASP 29 H ASP 29 11.777 -3.715 -3.175 196 HA ASP 29 HA ASP 29 10.853 -5.791 -1.329 197 HB2 ASP 29 2HB ASP 29 12.797 -4.029 -1.018 198 HB3 ASP 29 3HB ASP 29 11.493 -2.936 -0.543 199 H VAL 30 H VAL 30 9.182 -5.097 0.407 200 HA VAL 30 HA VAL 30 7.089 -3.383 -0.753 201 HB VAL 30 HB VAL 30 5.502 -4.870 0.267 202 HG11 VAL 30 1HG1 VAL 30 7.342 -6.227 -1.699 203 HG12 VAL 30 2HG1 VAL 30 5.597 -6.560 -1.456 204 HG13 VAL 30 3HG1 VAL 30 6.131 -4.978 -2.065 205 HG21 VAL 30 3HG2 VAL 30 6.129 -7.114 0.991 206 HG22 VAL 30 1HG2 VAL 30 7.841 -6.755 0.661 207 HG23 VAL 30 2HG2 VAL 30 6.986 -5.895 1.964 208 H ARG 31 H ARG 31 5.453 -2.806 0.963 209 HA ARG 31 HA ARG 31 6.687 -2.255 3.520 210 HB2 ARG 31 2HB ARG 31 7.459 -0.573 1.465 211 HB3 ARG 31 3HB ARG 31 6.095 0.286 2.124 212 HG2 ARG 31 2HG ARG 31 8.047 1.107 3.232 213 HG3 ARG 31 3HG ARG 31 7.313 0.013 4.427 214 HD2 ARG 31 2HD ARG 31 8.862 -1.779 3.756 215 HD3 ARG 31 3HD ARG 31 9.464 -0.821 2.415 216 HE ARG 31 HE ARG 31 10.671 0.549 3.830 217 HH11 ARG 31 2HH2 ARG 31 9.103 -2.066 5.615 218 HH12 ARG 31 1HH2 ARG 31 10.096 -1.927 7.020 219 HH21 ARG 31 2HH1 ARG 31 12.052 0.720 5.673 220 HH22 ARG 31 1HH1 ARG 31 11.826 -0.309 7.039 221 H ARG 32 H ARG 32 5.138 -1.512 5.108 222 HA ARG 32 HA ARG 32 2.398 -1.522 4.059 223 HB2 ARG 32 2HB ARG 32 1.751 -2.281 6.271 224 HB3 ARG 32 3HB ARG 32 2.953 -3.361 5.594 225 HG2 ARG 32 2HG ARG 32 4.666 -2.347 7.099 226 HG3 ARG 32 3HG ARG 32 3.409 -1.264 7.770 227 HD2 ARG 32 2HD ARG 32 2.043 -3.240 8.385 228 HD3 ARG 32 3HD ARG 32 3.264 -4.291 7.675 229 HE ARG 32 HE ARG 32 3.267 -3.060 10.307 230 HH11 ARG 32 2HH2 ARG 32 4.919 -5.221 8.131 231 HH12 ARG 32 1HH2 ARG 32 6.361 -5.343 9.049 232 HH21 ARG 32 2HH1 ARG 32 4.797 -3.639 11.732 233 HH22 ARG 32 1HH1 ARG 32 6.248 -4.503 11.302 234 H LEU 33 H LEU 33 0.818 0.093 4.782 235 HA LEU 33 HA LEU 33 2.085 2.607 5.280 236 HB2 LEU 33 2HB LEU 33 -0.748 1.985 6.087 237 HB3 LEU 33 3HB LEU 33 -0.077 3.465 5.449 238 HG LEU 33 HG LEU 33 -1.464 2.681 3.857 239 HD11 LEU 33 1HD1 LEU 33 1.163 1.626 2.854 240 HD12 LEU 33 2HD1 LEU 33 -0.185 2.229 1.868 241 HD13 LEU 33 3HD1 LEU 33 0.714 3.349 2.914 242 HD21 LEU 33 3HD2 LEU 33 -1.568 0.304 4.800 243 HD22 LEU 33 1HD2 LEU 33 -2.061 0.672 3.145 244 HD23 LEU 33 2HD2 LEU 33 -0.481 -0.058 3.425 245 HA PRO 34 HA PRO 34 2.693 2.250 9.671 246 HB2 PRO 34 2HB PRO 34 1.416 4.835 10.275 247 HB3 PRO 34 3HB PRO 34 3.114 4.346 10.452 248 HG2 PRO 34 2HG PRO 34 2.168 6.086 8.458 249 HG3 PRO 34 3HG PRO 34 3.682 5.148 8.372 250 HD2 PRO 34 2HD PRO 34 1.122 4.645 6.976 251 HD3 PRO 34 3HD PRO 34 2.789 4.177 6.536 252 H CYS 35 H CYS 35 -0.441 2.871 8.358 253 HA CYS 35 HA CYS 35 -2.385 2.489 10.353 254 HB2 CYS 35 2HB CYS 35 -2.838 2.971 8.018 255 HB3 CYS 35 3HB CYS 35 -2.151 1.397 7.579 256 H MET 36 H MET 36 -0.691 -0.126 8.518 257 HA MET 36 HA MET 36 -0.558 -2.274 10.045 258 HB2 MET 36 2HB MET 36 -3.454 -1.496 9.905 259 HB3 MET 36 3HB MET 36 -3.103 -3.139 9.426 260 HG2 MET 36 2HG MET 36 -2.038 -3.666 11.487 261 HG3 MET 36 3HG MET 36 -2.107 -1.999 12.049 262 HE1 MET 36 3HE MET 36 -3.052 -2.845 14.304 263 HE2 MET 36 1HE MET 36 -4.537 -3.808 14.493 264 HE3 MET 36 2HE MET 36 -3.092 -4.538 13.755 265 H HIS 37 H HIS 37 -2.830 -1.484 7.400 266 HA HIS 37 HA HIS 37 -2.487 -3.876 6.012 267 HB2 HIS 37 1HB HIS 37 -3.229 -1.183 4.800 268 HB3 HIS 37 2HB HIS 37 -3.539 -2.746 4.103 269 HD2 HIS 37 2HD HIS 37 -5.320 -4.348 5.222 270 HE1 HIS 37 1HE HIS 37 -7.444 -1.386 7.410 271 HE2 HIS 37 2HE HIS 37 -7.463 -3.830 6.639 272 H LEU 38 H LEU 38 -1.394 -4.436 4.026 273 HA LEU 38 HA LEU 38 1.168 -2.947 3.750 274 HB2 LEU 38 2HB LEU 38 1.419 -5.058 4.797 275 HB3 LEU 38 3HB LEU 38 0.656 -5.884 3.430 276 HG LEU 38 HG LEU 38 3.101 -4.220 2.966 277 HD11 LEU 38 1HD1 LEU 38 3.710 -5.541 4.949 278 HD12 LEU 38 2HD1 LEU 38 3.160 -7.023 4.149 279 HD13 LEU 38 3HD1 LEU 38 4.563 -6.141 3.515 280 HD21 LEU 38 3HD2 LEU 38 1.824 -5.545 1.083 281 HD22 LEU 38 1HD2 LEU 38 3.572 -5.780 1.206 282 HD23 LEU 38 2HD2 LEU 38 2.470 -6.990 1.860 283 H PHE 39 H PHE 39 2.199 -2.720 1.814 284 HA PHE 39 HA PHE 39 0.824 -3.520 -0.665 285 HB2 PHE 39 2HB PHE 39 1.149 -0.659 0.283 286 HB3 PHE 39 3HB PHE 39 1.144 -0.978 -1.430 287 HD1 PHE 39 1HD PHE 39 -0.747 -2.798 -2.148 288 HD2 PHE 39 2HD PHE 39 -0.973 -0.171 1.230 289 HE1 PHE 39 1HE PHE 39 -3.239 -3.081 -2.091 290 HE2 PHE 39 2HE PHE 39 -3.450 -0.438 1.272 291 HZ PHE 39 HZ PHE 39 -4.576 -1.793 -0.513 292 H HIS 40 H HIS 40 2.232 -2.243 -2.549 293 HA HIS 40 HA HIS 40 4.938 -3.350 -2.427 294 HB2 HIS 40 1HB HIS 40 3.532 -1.407 -4.239 295 HB3 HIS 40 2HB HIS 40 5.261 -1.614 -4.360 296 HD2 HIS 40 2HD HIS 40 6.060 -4.225 -5.055 297 HE1 HIS 40 1HE HIS 40 2.999 -4.108 -7.999 298 HE2 HIS 40 2HE HIS 40 5.186 -5.081 -7.414 299 H GLN 41 H GLN 41 6.836 -2.157 -2.024 300 HA GLN 41 HA GLN 41 6.657 0.130 -0.346 301 HB2 GLN 41 2HB GLN 41 8.611 -1.420 -0.333 302 HB3 GLN 41 3HB GLN 41 8.954 -1.056 -2.014 303 HG2 GLN 41 2HG GLN 41 9.048 1.127 0.089 304 HG3 GLN 41 3HG GLN 41 10.402 0.018 -0.149 305 HE21 GLN 41 1HE2 GLN 41 11.212 -0.231 -2.551 306 HE22 GLN 41 2HE2 GLN 41 11.261 1.213 -3.465 307 H VAL 42 H VAL 42 7.751 -0.191 -3.693 308 HA VAL 42 HA VAL 42 7.990 2.572 -4.123 309 HB VAL 42 HB VAL 42 8.567 0.395 -5.530 310 HG11 VAL 42 1HG1 VAL 42 6.207 1.411 -7.141 311 HG12 VAL 42 2HG1 VAL 42 7.354 0.142 -7.593 312 HG13 VAL 42 3HG1 VAL 42 6.256 -0.120 -6.229 313 HG21 VAL 42 3HG2 VAL 42 9.161 1.858 -7.445 314 HG22 VAL 42 1HG2 VAL 42 8.093 3.127 -6.797 315 HG23 VAL 42 2HG2 VAL 42 9.539 2.626 -5.893 316 H CYS 43 H CYS 43 5.113 0.723 -3.900 317 HA CYS 43 HA CYS 43 3.381 2.687 -5.445 318 HB2 CYS 43 2HB CYS 43 2.786 0.382 -3.623 319 HB3 CYS 43 3HB CYS 43 1.599 1.483 -4.259 320 H VAL 44 H VAL 44 4.348 1.917 -2.051 321 HA VAL 44 HA VAL 44 2.334 3.435 -0.819 322 HB VAL 44 HB VAL 44 4.353 1.714 -0.078 323 HG11 VAL 44 1HG1 VAL 44 6.059 3.507 -0.093 324 HG12 VAL 44 2HG1 VAL 44 5.144 4.362 1.172 325 HG13 VAL 44 3HG1 VAL 44 5.826 2.748 1.488 326 HG21 VAL 44 3HG2 VAL 44 2.240 2.041 0.986 327 HG22 VAL 44 1HG2 VAL 44 3.545 2.064 2.194 328 HG23 VAL 44 2HG2 VAL 44 2.781 3.597 1.685 329 H ASP 45 H ASP 45 5.256 4.233 -2.418 330 HA ASP 45 HA ASP 45 5.573 6.950 -1.365 331 HB2 ASP 45 2HB ASP 45 7.522 5.787 -2.293 332 HB3 ASP 45 3HB ASP 45 6.715 5.589 -3.847 333 H GLN 46 H GLN 46 4.916 6.046 -4.791 334 HA GLN 46 HA GLN 46 3.864 8.498 -5.511 335 HB2 GLN 46 2HB GLN 46 2.754 7.330 -7.404 336 HB3 GLN 46 3HB GLN 46 4.446 6.872 -7.173 337 HG2 GLN 46 2HG GLN 46 3.782 4.788 -6.080 338 HG3 GLN 46 3HG GLN 46 2.071 5.237 -6.175 339 HE21 GLN 46 1HE2 GLN 46 1.511 3.358 -7.437 340 HE22 GLN 46 2HE2 GLN 46 2.036 3.250 -9.109 341 H TRP 47 H TRP 47 2.214 5.954 -3.758 342 HA TRP 47 HA TRP 47 -0.439 7.001 -4.045 343 HB2 TRP 47 2HB TRP 47 0.129 4.673 -3.352 344 HB3 TRP 47 3HB TRP 47 0.781 5.288 -1.831 345 HD1 TRP 47 HD1 TRP 47 -0.923 5.097 0.066 346 HE1 TRP 47 HE1 TRP 47 -3.483 5.060 0.271 347 HE3 TRP 47 HE3 TRP 47 -2.170 6.056 -4.810 348 HZ2 TRP 47 HZ2 TRP 47 -5.708 5.011 -1.502 349 HZ3 TRP 47 HZ3 TRP 47 -4.520 6.236 -5.476 350 HH2 TRP 47 HH2 TRP 47 -6.341 5.621 -3.871 351 H LEU 48 H LEU 48 1.972 7.242 -1.364 352 HA LEU 48 HA LEU 48 0.627 9.060 0.225 353 HB2 LEU 48 2HB LEU 48 3.445 8.230 -0.277 354 HB3 LEU 48 3HB LEU 48 3.295 9.797 0.421 355 HG LEU 48 HG LEU 48 1.966 7.291 1.537 356 HD11 LEU 48 1HD1 LEU 48 4.422 7.137 1.588 357 HD12 LEU 48 2HD1 LEU 48 4.517 8.719 2.396 358 HD13 LEU 48 3HD1 LEU 48 3.769 7.331 3.226 359 HD21 LEU 48 3HD2 LEU 48 0.826 9.336 2.316 360 HD22 LEU 48 1HD2 LEU 48 1.784 8.661 3.633 361 HD23 LEU 48 2HD2 LEU 48 2.383 10.073 2.736 362 H ILE 49 H ILE 49 2.440 9.754 -2.842 363 HA ILE 49 HA ILE 49 2.250 12.561 -2.590 364 HB ILE 49 HB ILE 49 2.325 10.854 -5.074 365 HG12 ILE 49 2HG1 ILE 49 4.182 10.239 -3.691 366 HG13 ILE 49 3HG1 ILE 49 4.706 11.176 -5.055 367 HG21 ILE 49 1HG2 ILE 49 3.399 12.875 -6.069 368 HG22 ILE 49 2HG2 ILE 49 1.685 13.072 -5.673 369 HG23 ILE 49 3HG2 ILE 49 2.913 13.778 -4.610 370 HD11 ILE 49 3HD1 ILE 49 5.886 11.872 -3.049 371 HD12 ILE 49 1HD1 ILE 49 4.829 13.192 -3.600 372 HD13 ILE 49 2HD1 ILE 49 4.347 12.172 -2.219 373 H THR 50 H THR 50 -0.163 10.126 -3.893 374 HA THR 50 HA THR 50 -1.919 12.381 -4.628 375 HB THR 50 HB THR 50 -3.352 10.499 -5.500 376 HG1 THR 50 1HG THR 50 -2.173 8.498 -5.748 377 HG21 THR 50 1HG2 THR 50 -0.480 10.532 -6.530 378 HG22 THR 50 2HG2 THR 50 -1.924 10.041 -7.439 379 HG23 THR 50 3HG2 THR 50 -1.727 11.731 -6.939 380 H ASN 51 H ASN 51 -2.533 9.277 -2.947 381 HA ASN 51 HA ASN 51 -4.516 10.705 -1.232 382 HB2 ASN 51 2HB ASN 51 -4.216 7.923 -2.303 383 HB3 ASN 51 3HB ASN 51 -5.016 8.127 -0.745 384 HD21 ASN 51 1HD2 ASN 51 -7.199 7.828 -1.199 385 HD22 ASN 51 2HD2 ASN 51 -8.024 8.766 -2.447 386 H LYS 52 H LYS 52 -3.322 11.488 0.464 387 HA LYS 52 HA LYS 52 -1.371 9.890 1.902 388 HB2 LYS 52 2HB LYS 52 -2.873 12.441 2.632 389 HB3 LYS 52 3HB LYS 52 -1.510 11.774 3.548 390 HG2 LYS 52 2HG LYS 52 0.031 12.138 1.758 391 HG3 LYS 52 3HG LYS 52 -1.262 12.488 0.597 392 HD2 LYS 52 2HD LYS 52 -0.190 14.553 1.264 393 HD3 LYS 52 3HD LYS 52 -1.871 14.521 1.827 394 HE2 LYS 52 2HE LYS 52 -1.065 13.785 4.088 395 HE3 LYS 52 3HE LYS 52 0.605 13.897 3.502 396 HZ1 LYS 52 3HZ LYS 52 0.222 16.252 3.108 397 HZ2 LYS 52 1HZ LYS 52 -1.319 16.130 3.680 398 HZ3 LYS 52 2HZ LYS 52 -0.047 15.873 4.688 399 H LYS 53 H LYS 53 -3.820 8.343 1.657 400 HA LYS 53 HA LYS 53 -4.619 8.062 4.471 401 HB2 LYS 53 2HB LYS 53 -6.598 8.238 2.121 402 HB3 LYS 53 3HB LYS 53 -6.967 7.791 3.778 403 HG2 LYS 53 2HG LYS 53 -6.078 9.983 4.550 404 HG3 LYS 53 3HG LYS 53 -5.922 10.518 2.882 405 HD2 LYS 53 2HD LYS 53 -8.557 9.451 3.962 406 HD3 LYS 53 3HD LYS 53 -8.083 11.136 4.215 407 HE2 LYS 53 2HE LYS 53 -7.597 10.242 1.468 408 HE3 LYS 53 3HE LYS 53 -9.303 10.080 1.920 409 HZ1 LYS 53 3HZ LYS 53 -8.730 12.300 1.017 410 HZ2 LYS 53 1HZ LYS 53 -9.334 12.374 2.550 411 HZ3 LYS 53 2HZ LYS 53 -7.725 12.549 2.309 412 H CYS 54 H CYS 54 -5.817 6.037 4.673 413 HA CYS 54 HA CYS 54 -4.152 3.876 3.468 414 HB2 CYS 54 2HB CYS 54 -5.044 3.869 5.785 415 HB3 CYS 54 3HB CYS 54 -6.673 3.723 5.102 416 HA PRO 55 HA PRO 55 -6.961 3.739 -0.082 417 HB2 PRO 55 2HB PRO 55 -5.844 1.168 -0.843 418 HB3 PRO 55 3HB PRO 55 -5.669 2.708 -1.690 419 HG2 PRO 55 2HG PRO 55 -3.716 1.270 -0.255 420 HG3 PRO 55 3HG PRO 55 -3.593 2.936 -0.774 421 HD2 PRO 55 2HD PRO 55 -4.135 1.852 1.928 422 HD3 PRO 55 3HD PRO 55 -3.521 3.463 1.468 423 H ILE 56 H ILE 56 -6.441 1.172 2.297 424 HA ILE 56 HA ILE 56 -8.872 -0.272 1.456 425 HB ILE 56 HB ILE 56 -6.730 -0.821 3.500 426 HG12 ILE 56 2HG1 ILE 56 -7.741 -2.438 1.114 427 HG13 ILE 56 3HG1 ILE 56 -6.524 -1.174 0.918 428 HG21 ILE 56 1HG2 ILE 56 -7.975 -2.985 3.903 429 HG22 ILE 56 2HG2 ILE 56 -8.848 -1.585 4.516 430 HG23 ILE 56 3HG2 ILE 56 -9.340 -2.333 2.983 431 HD11 ILE 56 3HD1 ILE 56 -6.217 -3.584 2.732 432 HD12 ILE 56 1HD1 ILE 56 -5.471 -3.358 1.141 433 HD13 ILE 56 2HD1 ILE 56 -5.035 -2.273 2.479 434 H CYS 57 H CYS 57 -7.654 1.037 4.606 435 HA CYS 57 HA CYS 57 -10.389 1.106 5.651 436 HB2 CYS 57 2HB CYS 57 -9.253 1.773 7.712 437 HB3 CYS 57 3HB CYS 57 -8.732 0.250 7.050 438 H ARG 58 H ARG 58 -8.611 3.396 3.834 439 HA ARG 58 HA ARG 58 -9.225 5.431 3.062 440 HB2 ARG 58 2HB ARG 58 -11.745 4.065 3.811 441 HB3 ARG 58 3HB ARG 58 -11.918 5.804 3.785 442 HG2 ARG 58 2HG ARG 58 -12.425 4.657 1.627 443 HG3 ARG 58 3HG ARG 58 -11.215 5.950 1.502 444 HD2 ARG 58 2HD ARG 58 -9.438 4.442 1.159 445 HD3 ARG 58 3HD ARG 58 -10.264 3.151 2.020 446 HE ARG 58 HE ARG 58 -10.829 2.340 0.076 447 HH11 ARG 58 2HH2 ARG 58 -10.571 5.798 -0.436 448 HH12 ARG 58 1HH2 ARG 58 -11.004 5.765 -2.115 449 HH21 ARG 58 2HH1 ARG 58 -11.546 2.249 -2.113 450 HH22 ARG 58 1HH1 ARG 58 -11.559 3.666 -3.100 451 H VAL 59 H VAL 59 -8.116 5.334 5.855 452 HA VAL 59 HA VAL 59 -9.021 8.112 6.492 453 HB VAL 59 HB VAL 59 -8.805 7.765 8.720 454 HG11 VAL 59 1HG1 VAL 59 -10.312 5.947 9.244 455 HG12 VAL 59 2HG1 VAL 59 -10.737 6.557 7.623 456 HG13 VAL 59 3HG1 VAL 59 -9.782 5.061 7.796 457 HG21 VAL 59 3HG2 VAL 59 -6.710 6.705 8.966 458 HG22 VAL 59 1HG2 VAL 59 -7.892 5.688 9.799 459 HG23 VAL 59 2HG2 VAL 59 -7.287 5.196 8.197 460 H ASP 60 H ASP 60 -7.402 9.574 7.325 461 HA ASP 60 HA ASP 60 -4.861 9.170 6.094 462 HB2 ASP 60 2HB ASP 60 -5.463 11.226 8.271 463 HB3 ASP 60 3HB ASP 60 -4.353 11.323 6.932 464 H ILE 61 H ILE 61 -3.288 7.972 6.955 465 HA ILE 61 HA ILE 61 -3.517 6.555 9.266 466 HB ILE 61 HB ILE 61 -0.926 7.455 7.978 467 HG12 ILE 61 2HG1 ILE 61 -1.409 5.016 6.926 468 HG13 ILE 61 3HG1 ILE 61 -3.080 5.502 7.098 469 HG21 ILE 61 1HG2 ILE 61 -0.618 6.306 10.082 470 HG22 ILE 61 2HG2 ILE 61 -1.748 5.022 9.583 471 HG23 ILE 61 3HG2 ILE 61 -0.187 5.233 8.742 472 HD11 ILE 61 3HD1 ILE 61 -2.804 7.186 5.449 473 HD12 ILE 61 1HD1 ILE 61 -1.064 7.342 5.781 474 HD13 ILE 61 2HD1 ILE 61 -1.696 5.939 4.887 475 H GLU 62 H GLU 62 -2.345 9.805 8.862 476 HA GLU 62 HA GLU 62 -1.795 11.488 10.335 477 HB2 GLU 62 2HB GLU 62 -4.137 10.482 11.125 478 HB3 GLU 62 3HB GLU 62 -3.242 10.115 12.590 479 HG2 GLU 62 2HG GLU 62 -3.596 12.823 11.228 480 HG3 GLU 62 3HG GLU 62 -4.377 12.295 12.715 481 H ALA 63 H ALA 63 0.284 10.097 9.879 482 HA ALA 63 HA ALA 63 1.752 10.129 12.395 483 HB1 ALA 63 1HB ALA 63 2.618 7.825 12.187 484 HB2 ALA 63 2HB ALA 63 0.853 7.808 12.367 485 HB3 ALA 63 3HB ALA 63 1.587 7.551 10.766 486 H GLN 64 H GLN 64 3.991 10.086 12.081 487 HA GLN 64 HA GLN 64 5.912 10.809 11.243 488 HB2 GLN 64 2HB GLN 64 4.996 9.362 8.734 489 HB3 GLN 64 3HB GLN 64 6.586 10.090 8.928 490 HG2 GLN 64 2HG GLN 64 7.320 8.250 9.921 491 HG3 GLN 64 3HG GLN 64 6.261 8.576 11.285 492 HE21 GLN 64 1HE2 GLN 64 7.014 6.310 8.840 493 HE22 GLN 64 2HE2 GLN 64 5.558 5.348 9.034 494 H LEU 65 H LEU 65 7.070 12.210 9.672 495 HA LEU 65 HA LEU 65 5.449 14.156 8.218 496 HB2 LEU 65 2HB LEU 65 6.372 16.068 9.512 497 HB3 LEU 65 3HB LEU 65 5.184 15.119 10.384 498 HG LEU 65 HG LEU 65 7.960 14.185 10.885 499 HD11 LEU 65 1HD1 LEU 65 8.583 16.094 12.314 500 HD12 LEU 65 2HD1 LEU 65 8.460 16.578 10.616 501 HD13 LEU 65 3HD1 LEU 65 7.155 16.995 11.753 502 HD21 LEU 65 3HD2 LEU 65 7.200 14.250 13.205 503 HD22 LEU 65 1HD2 LEU 65 5.747 15.159 12.738 504 HD23 LEU 65 2HD2 LEU 65 5.960 13.483 12.195 505 HA PRO 66 HA PRO 66 9.805 13.404 6.761 506 HB2 PRO 66 2HB PRO 66 9.313 12.351 4.293 507 HB3 PRO 66 3HB PRO 66 9.184 11.344 5.772 508 HG2 PRO 66 2HG PRO 66 6.940 12.770 4.295 509 HG3 PRO 66 3HG PRO 66 7.002 11.051 4.803 510 HD2 PRO 66 2HD PRO 66 5.759 12.974 6.304 511 HD3 PRO 66 3HD PRO 66 6.641 11.613 7.064 512 H SER 67 H SER 67 10.972 14.618 5.125 513 HA SER 67 HA SER 67 9.480 16.484 3.459 514 HB2 SER 67 2HB SER 67 9.589 17.346 5.919 515 HB3 SER 67 3HB SER 67 11.312 17.591 5.622 516 HG SER 67 HG SER 67 9.096 18.743 4.267 517 H GLU 68 H GLU 68 10.642 15.906 1.612 518 HA GLU 68 HA GLU 68 13.378 16.624 1.405 519 HB2 GLU 68 2HB GLU 68 13.463 14.316 2.531 520 HB3 GLU 68 3HB GLU 68 12.833 13.640 1.033 521 HG2 GLU 68 2HG GLU 68 14.859 13.932 -0.062 522 HG3 GLU 68 3HG GLU 68 15.168 15.482 0.720 523 H SER 69 H SER 69 13.471 14.647 -1.111 524 HA SER 69 HA SER 69 11.149 15.397 -2.632 525 HB2 SER 69 2HB SER 69 13.929 16.380 -3.433 526 HB3 SER 69 3HB SER 69 12.465 16.457 -4.432 527 HG SER 69 HG SER 69 11.903 17.543 -2.077 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -0.985 -27.067 9.332 2 H2 MET 1 H2 MET 1 -1.401 -28.207 8.214 3 H3 MET 1 H3 MET 1 0.187 -27.944 8.575 4 HA MET 1 HA MET 1 -0.377 -26.991 6.465 5 HB2 MET 1 2HB MET 1 -2.361 -25.424 8.143 6 HB3 MET 1 3HB MET 1 -1.825 -24.909 6.534 7 HG2 MET 1 2HG MET 1 -3.033 -27.640 7.128 8 HG3 MET 1 3HG MET 1 -3.969 -26.260 6.569 9 HE1 MET 1 3HE MET 1 -3.043 -25.736 2.932 10 HE2 MET 1 1HE MET 1 -4.090 -25.333 4.308 11 HE3 MET 1 2HE MET 1 -2.389 -24.815 4.302 12 H LYS 2 H LYS 2 -0.624 -24.295 8.827 13 HA LYS 2 HA LYS 2 0.870 -22.788 9.557 14 HB2 LYS 2 2HB LYS 2 3.192 -24.357 8.366 15 HB3 LYS 2 3HB LYS 2 3.259 -22.943 9.394 16 HG2 LYS 2 2HG LYS 2 2.262 -24.240 11.264 17 HG3 LYS 2 3HG LYS 2 2.222 -25.683 10.218 18 HD2 LYS 2 2HD LYS 2 4.697 -25.418 9.846 19 HD3 LYS 2 3HD LYS 2 4.717 -24.106 11.029 20 HE2 LYS 2 2HE LYS 2 3.777 -26.954 11.595 21 HE3 LYS 2 3HE LYS 2 5.423 -26.381 11.890 22 HZ1 LYS 2 3HZ LYS 2 4.025 -26.302 13.865 23 HZ2 LYS 2 1HZ LYS 2 4.587 -24.813 13.462 24 HZ3 LYS 2 2HZ LYS 2 3.021 -25.214 13.146 25 H GLN 3 H GLN 3 2.290 -23.941 6.584 26 HA GLN 3 HA GLN 3 2.309 -21.328 5.292 27 HB2 GLN 3 2HB GLN 3 2.714 -24.178 4.272 28 HB3 GLN 3 3HB GLN 3 2.954 -22.725 3.283 29 HG2 GLN 3 2HG GLN 3 4.730 -21.933 4.737 30 HG3 GLN 3 3HG GLN 3 4.445 -23.229 5.904 31 HE21 GLN 3 1HE2 GLN 3 7.016 -22.696 4.690 32 HE22 GLN 3 2HE2 GLN 3 7.374 -24.140 3.751 33 H ASP 4 H ASP 4 0.932 -20.757 3.511 34 HA ASP 4 HA ASP 4 -1.061 -20.231 2.730 35 HB2 ASP 4 2HB ASP 4 -1.252 -23.240 2.365 36 HB3 ASP 4 3HB ASP 4 -2.229 -22.025 1.528 37 H GLY 5 H GLY 5 -1.830 -19.370 4.747 38 HA2 GLY 5 2HA GLY 5 -4.348 -20.486 5.568 39 HA3 GLY 5 3HA GLY 5 -3.105 -20.886 6.761 40 H GLU 6 H GLU 6 -1.572 -18.560 6.728 41 HA GLU 6 HA GLU 6 -1.374 -16.654 7.921 42 HB2 GLU 6 2HB GLU 6 -3.503 -15.926 5.891 43 HB3 GLU 6 3HB GLU 6 -2.625 -14.759 6.882 44 HG2 GLU 6 2HG GLU 6 -1.551 -14.899 4.727 45 HG3 GLU 6 3HG GLU 6 -0.474 -15.536 5.970 46 H GLU 7 H GLU 7 -1.945 -17.184 10.086 47 HA GLU 7 HA GLU 7 -4.461 -15.925 10.952 48 HB2 GLU 7 2HB GLU 7 -4.676 -18.492 10.596 49 HB3 GLU 7 3HB GLU 7 -3.570 -18.640 11.976 50 HG2 GLU 7 2HG GLU 7 -5.177 -17.410 13.398 51 HG3 GLU 7 3HG GLU 7 -6.227 -17.137 12.001 52 H GLY 8 H GLY 8 -4.249 -15.115 13.165 53 HA2 GLY 8 2HA GLY 8 -2.832 -15.424 15.233 54 HA3 GLY 8 3HA GLY 8 -1.443 -15.105 14.181 55 H THR 9 H THR 9 -0.755 -13.042 14.259 56 HA THR 9 HA THR 9 -2.218 -10.949 15.606 57 HB THR 9 HB THR 9 -0.270 -9.620 14.810 58 HG1 THR 9 1HG THR 9 0.129 -11.003 12.970 59 HG21 THR 9 1HG2 THR 9 -0.256 -10.751 17.007 60 HG22 THR 9 2HG2 THR 9 0.376 -12.233 16.250 61 HG23 THR 9 3HG2 THR 9 1.360 -10.757 16.273 62 H GLU 10 H GLU 10 -3.767 -9.658 14.710 63 HA GLU 10 HA GLU 10 -4.286 -9.669 11.885 64 HB2 GLU 10 2HB GLU 10 -6.153 -8.222 12.487 65 HB3 GLU 10 3HB GLU 10 -6.030 -9.611 13.561 66 HG2 GLU 10 2HG GLU 10 -4.638 -7.845 15.070 67 HG3 GLU 10 3HG GLU 10 -5.635 -6.696 14.175 68 H GLU 11 H GLU 11 -2.064 -8.917 11.180 69 HA GLU 11 HA GLU 11 -2.231 -6.037 10.741 70 HB2 GLU 11 2HB GLU 11 -0.824 -6.561 12.891 71 HB3 GLU 11 3HB GLU 11 0.414 -7.135 11.761 72 HG2 GLU 11 2HG GLU 11 0.480 -4.921 10.694 73 HG3 GLU 11 3HG GLU 11 -0.943 -4.411 11.587 74 H ASP 12 H ASP 12 -0.331 -5.454 9.093 75 HA ASP 12 HA ASP 12 0.665 -5.684 7.150 76 HB2 ASP 12 2HB ASP 12 0.690 -8.696 7.606 77 HB3 ASP 12 3HB ASP 12 1.382 -7.866 6.222 78 H THR 13 H THR 13 -1.538 -8.489 7.165 79 HA THR 13 HA THR 13 -3.065 -9.122 5.518 80 HB THR 13 HB THR 13 -4.350 -8.368 7.300 81 HG1 THR 13 1HG THR 13 -5.531 -8.457 5.274 82 HG21 THR 13 1HG2 THR 13 -3.374 -6.358 7.987 83 HG22 THR 13 2HG2 THR 13 -3.599 -5.614 6.397 84 HG23 THR 13 3HG2 THR 13 -5.006 -5.886 7.468 85 H GLU 14 H GLU 14 -1.162 -8.495 4.086 86 HA GLU 14 HA GLU 14 -1.539 -6.428 2.116 87 HB2 GLU 14 2HB GLU 14 0.591 -7.639 2.647 88 HB3 GLU 14 3HB GLU 14 -0.011 -9.096 1.921 89 HG2 GLU 14 2HG GLU 14 0.092 -6.466 0.379 90 HG3 GLU 14 3HG GLU 14 1.514 -7.487 0.542 91 H GLU 15 H GLU 15 -3.942 -6.811 1.720 92 HA GLU 15 HA GLU 15 -4.352 -9.300 0.275 93 HB2 GLU 15 2HB GLU 15 -5.897 -8.534 2.156 94 HB3 GLU 15 3HB GLU 15 -6.671 -7.517 0.903 95 HG2 GLU 15 2HG GLU 15 -6.798 -9.490 -0.574 96 HG3 GLU 15 3HG GLU 15 -5.965 -10.492 0.617 97 H LYS 16 H LYS 16 -2.762 -8.332 -1.244 98 HA LYS 16 HA LYS 16 -2.357 -8.198 -3.442 99 HB2 LYS 16 2HB LYS 16 -5.354 -7.733 -3.889 100 HB3 LYS 16 3HB LYS 16 -4.148 -7.993 -5.117 101 HG2 LYS 16 2HG LYS 16 -5.328 -10.044 -4.838 102 HG3 LYS 16 3HG LYS 16 -3.702 -10.304 -4.159 103 HD2 LYS 16 2HD LYS 16 -4.547 -10.239 -1.946 104 HD3 LYS 16 3HD LYS 16 -6.089 -9.522 -2.522 105 HE2 LYS 16 2HE LYS 16 -6.654 -11.663 -3.610 106 HE3 LYS 16 3HE LYS 16 -5.132 -12.361 -3.027 107 HZ1 LYS 16 3HZ LYS 16 -7.358 -11.408 -1.283 108 HZ2 LYS 16 1HZ LYS 16 -6.980 -12.960 -1.586 109 HZ3 LYS 16 2HZ LYS 16 -5.940 -12.006 -0.756 110 H CYS 17 H CYS 17 -1.816 -6.397 -4.946 111 HA CYS 17 HA CYS 17 -1.744 -3.965 -3.465 112 HB2 CYS 17 2HB CYS 17 -0.029 -4.933 -5.139 113 HB3 CYS 17 3HB CYS 17 -1.041 -4.134 -6.332 114 H THR 18 H THR 18 -2.988 -2.268 -3.726 115 HA THR 18 HA THR 18 -5.243 -2.443 -5.700 116 HB THR 18 HB THR 18 -5.528 -2.659 -3.088 117 HG1 THR 18 1HG THR 18 -7.656 -2.247 -3.541 118 HG21 THR 18 1HG2 THR 18 -6.468 -0.582 -2.193 119 HG22 THR 18 2HG2 THR 18 -4.755 -0.369 -2.618 120 HG23 THR 18 3HG2 THR 18 -6.029 0.269 -3.693 121 H ILE 19 H ILE 19 -2.519 -0.537 -4.582 122 HA ILE 19 HA ILE 19 -3.349 1.836 -6.011 123 HB ILE 19 HB ILE 19 -0.711 0.771 -4.890 124 HG12 ILE 19 2HG1 ILE 19 -1.237 3.015 -3.484 125 HG13 ILE 19 3HG1 ILE 19 -2.893 2.633 -3.883 126 HG21 ILE 19 1HG2 ILE 19 -1.277 3.480 -6.108 127 HG22 ILE 19 2HG2 ILE 19 0.204 2.996 -5.233 128 HG23 ILE 19 3HG2 ILE 19 -0.201 2.209 -6.759 129 HD11 ILE 19 3HD1 ILE 19 -2.823 0.671 -2.576 130 HD12 ILE 19 1HD1 ILE 19 -1.053 0.518 -2.719 131 HD13 ILE 19 2HD1 ILE 19 -1.755 1.767 -1.681 132 H CYS 20 H CYS 20 -1.547 -1.172 -6.675 133 HA CYS 20 HA CYS 20 -0.996 -0.321 -9.499 134 HB2 CYS 20 2HB CYS 20 -0.496 -2.929 -8.123 135 HB3 CYS 20 3HB CYS 20 0.020 -2.466 -9.738 136 H LEU 21 H LEU 21 -3.838 -1.030 -8.064 137 HA LEU 21 HA LEU 21 -5.610 -2.426 -8.401 138 HB2 LEU 21 2HB LEU 21 -5.131 -1.114 -11.012 139 HB3 LEU 21 3HB LEU 21 -6.460 -2.257 -10.781 140 HG LEU 21 HG LEU 21 -7.031 -0.927 -8.656 141 HD11 LEU 21 1HD1 LEU 21 -5.039 0.567 -8.766 142 HD12 LEU 21 2HD1 LEU 21 -5.639 1.245 -10.290 143 HD13 LEU 21 3HD1 LEU 21 -6.561 1.463 -8.778 144 HD21 LEU 21 3HD2 LEU 21 -7.566 0.154 -11.457 145 HD22 LEU 21 1HD2 LEU 21 -8.471 -1.137 -10.634 146 HD23 LEU 21 2HD2 LEU 21 -8.530 0.518 -10.005 147 H SER 22 H SER 22 -3.581 -4.187 -8.105 148 HA SER 22 HA SER 22 -4.350 -6.502 -9.606 149 HB2 SER 22 2HB SER 22 -1.933 -4.964 -10.578 150 HB3 SER 22 3HB SER 22 -1.859 -6.733 -10.555 151 HG SER 22 HG SER 22 -3.889 -5.215 -11.809 152 H ILE 23 H ILE 23 -3.066 -8.441 -8.949 153 HA ILE 23 HA ILE 23 -2.335 -8.499 -6.273 154 HB ILE 23 HB ILE 23 -1.360 -10.677 -6.811 155 HG12 ILE 23 2HG1 ILE 23 -2.156 -11.524 -9.143 156 HG13 ILE 23 3HG1 ILE 23 -1.935 -9.871 -9.701 157 HG21 ILE 23 1HG2 ILE 23 -4.052 -10.287 -8.131 158 HG22 ILE 23 2HG2 ILE 23 -3.447 -11.664 -7.173 159 HG23 ILE 23 3HG2 ILE 23 -3.774 -10.109 -6.390 160 HD11 ILE 23 3HD1 ILE 23 0.050 -11.322 -10.061 161 HD12 ILE 23 1HD1 ILE 23 0.393 -9.926 -9.022 162 HD13 ILE 23 2HD1 ILE 23 0.164 -11.542 -8.296 163 H LEU 24 H LEU 24 -0.384 -8.623 -5.131 164 HA LEU 24 HA LEU 24 1.727 -7.007 -6.177 165 HB2 LEU 24 2HB LEU 24 1.299 -8.841 -3.812 166 HB3 LEU 24 3HB LEU 24 2.937 -8.457 -4.252 167 HG LEU 24 HG LEU 24 0.778 -6.501 -3.480 168 HD11 LEU 24 1HD1 LEU 24 3.536 -6.894 -2.245 169 HD12 LEU 24 2HD1 LEU 24 2.071 -6.198 -1.503 170 HD13 LEU 24 3HD1 LEU 24 2.197 -7.949 -1.821 171 HD21 LEU 24 3HD2 LEU 24 2.134 -5.314 -5.137 172 HD22 LEU 24 1HD2 LEU 24 2.606 -4.771 -3.535 173 HD23 LEU 24 2HD2 LEU 24 3.628 -5.938 -4.404 174 H GLU 25 H GLU 25 3.935 -7.728 -6.373 175 HA GLU 25 HA GLU 25 4.236 -10.273 -7.832 176 HB2 GLU 25 2HB GLU 25 5.407 -9.108 -9.656 177 HB3 GLU 25 3HB GLU 25 3.716 -8.578 -9.530 178 HG2 GLU 25 2HG GLU 25 4.482 -6.668 -8.122 179 HG3 GLU 25 3HG GLU 25 6.162 -7.120 -8.435 180 H GLU 26 H GLU 26 6.440 -11.040 -7.776 181 HA GLU 26 HA GLU 26 7.878 -10.115 -5.463 182 HB2 GLU 26 2HB GLU 26 7.369 -12.512 -6.132 183 HB3 GLU 26 3HB GLU 26 8.581 -12.356 -7.405 184 HG2 GLU 26 2HG GLU 26 10.315 -11.890 -5.693 185 HG3 GLU 26 3HG GLU 26 9.078 -11.871 -4.429 186 H GLY 27 H GLY 27 8.199 -7.965 -6.529 187 HA2 GLY 27 2HA GLY 27 10.128 -7.916 -8.786 188 HA3 GLY 27 3HA GLY 27 9.106 -6.585 -8.232 189 H GLU 28 H GLU 28 9.660 -5.915 -5.746 190 HA GLU 28 HA GLU 28 12.507 -6.090 -5.205 191 HB2 GLU 28 2HB GLU 28 11.669 -4.008 -6.689 192 HB3 GLU 28 3HB GLU 28 11.127 -3.416 -5.127 193 HG2 GLU 28 2HG GLU 28 13.704 -4.406 -4.604 194 HG3 GLU 28 3HG GLU 28 13.867 -3.777 -6.240 195 H ASP 29 H ASP 29 12.294 -4.070 -3.190 196 HA ASP 29 HA ASP 29 11.216 -5.814 -1.115 197 HB2 ASP 29 2HB ASP 29 13.307 -4.021 -1.159 198 HB3 ASP 29 3HB ASP 29 12.054 -3.058 -0.362 199 H VAL 30 H VAL 30 9.489 -5.239 0.329 200 HA VAL 30 HA VAL 30 7.505 -3.456 -0.979 201 HB VAL 30 HB VAL 30 5.885 -4.686 0.440 202 HG11 VAL 30 1HG1 VAL 30 7.462 -6.207 -1.639 203 HG12 VAL 30 2HG1 VAL 30 5.832 -6.652 -1.052 204 HG13 VAL 30 3HG1 VAL 30 6.076 -5.115 -1.888 205 HG21 VAL 30 3HG2 VAL 30 8.103 -6.713 0.741 206 HG22 VAL 30 1HG2 VAL 30 7.588 -5.595 2.033 207 HG23 VAL 30 2HG2 VAL 30 6.448 -6.800 1.382 208 H ARG 31 H ARG 31 5.846 -2.643 0.889 209 HA ARG 31 HA ARG 31 7.231 -2.040 3.315 210 HB2 ARG 31 2HB ARG 31 7.873 -0.225 1.385 211 HB3 ARG 31 3HB ARG 31 6.434 0.529 2.074 212 HG2 ARG 31 2HG ARG 31 8.384 1.385 3.192 213 HG3 ARG 31 3HG ARG 31 7.564 0.316 4.354 214 HD2 ARG 31 2HD ARG 31 9.129 -1.489 3.875 215 HD3 ARG 31 3HD ARG 31 9.781 -0.617 2.476 216 HE ARG 31 HE ARG 31 10.153 0.937 4.826 217 HH11 ARG 31 2HH2 ARG 31 11.288 -1.994 3.195 218 HH12 ARG 31 1HH2 ARG 31 12.908 -1.905 3.767 219 HH21 ARG 31 2HH1 ARG 31 12.336 1.101 5.635 220 HH22 ARG 31 1HH1 ARG 31 13.515 -0.090 5.218 221 H ARG 32 H ARG 32 5.948 -1.451 4.993 222 HA ARG 32 HA ARG 32 3.094 -1.821 4.533 223 HB2 ARG 32 2HB ARG 32 4.679 -2.812 6.407 224 HB3 ARG 32 3HB ARG 32 4.395 -1.261 7.216 225 HG2 ARG 32 2HG ARG 32 1.977 -1.695 7.240 226 HG3 ARG 32 3HG ARG 32 2.205 -3.094 6.157 227 HD2 ARG 32 2HD ARG 32 1.927 -4.059 8.234 228 HD3 ARG 32 3HD ARG 32 3.670 -4.125 7.932 229 HE ARG 32 HE ARG 32 2.983 -1.751 9.385 230 HH11 ARG 32 2HH2 ARG 32 3.191 -5.285 9.722 231 HH12 ARG 32 1HH2 ARG 32 3.093 -5.242 11.460 232 HH21 ARG 32 2HH1 ARG 32 2.877 -1.755 11.763 233 HH22 ARG 32 1HH1 ARG 32 2.838 -3.278 12.563 234 H LEU 33 H LEU 33 1.520 -0.172 4.803 235 HA LEU 33 HA LEU 33 2.626 2.558 4.868 236 HB2 LEU 33 2HB LEU 33 -0.280 2.254 5.408 237 HB3 LEU 33 3HB LEU 33 0.621 3.435 4.487 238 HG LEU 33 HG LEU 33 0.993 1.438 2.856 239 HD11 LEU 33 1HD1 LEU 33 -0.272 -0.402 3.245 240 HD12 LEU 33 2HD1 LEU 33 -0.893 0.335 4.720 241 HD13 LEU 33 3HD1 LEU 33 -1.750 0.594 3.203 242 HD21 LEU 33 3HD2 LEU 33 -1.544 3.088 3.050 243 HD22 LEU 33 1HD2 LEU 33 -0.008 3.569 2.292 244 HD23 LEU 33 2HD2 LEU 33 -0.969 2.266 1.575 245 HA PRO 34 HA PRO 34 2.695 2.643 9.249 246 HB2 PRO 34 2HB PRO 34 1.805 5.282 9.795 247 HB3 PRO 34 3HB PRO 34 3.464 4.711 9.503 248 HG2 PRO 34 2HG PRO 34 1.671 6.175 7.642 249 HG3 PRO 34 3HG PRO 34 3.442 6.043 7.635 250 HD2 PRO 34 2HD PRO 34 1.653 4.681 5.944 251 HD3 PRO 34 3HD PRO 34 3.373 4.261 6.195 252 H CYS 35 H CYS 35 -0.327 2.845 7.608 253 HA CYS 35 HA CYS 35 -2.048 3.170 9.927 254 HB2 CYS 35 2HB CYS 35 -3.808 2.696 8.563 255 HB3 CYS 35 3HB CYS 35 -2.706 3.603 7.533 256 H MET 36 H MET 36 -0.699 0.309 8.290 257 HA MET 36 HA MET 36 -0.237 -1.535 10.049 258 HB2 MET 36 2HB MET 36 -3.239 -1.263 10.001 259 HB3 MET 36 3HB MET 36 -2.504 -2.842 10.087 260 HG2 MET 36 2HG MET 36 -1.431 -2.445 12.143 261 HG3 MET 36 3HG MET 36 -1.552 -0.716 12.005 262 HE1 MET 36 3HE MET 36 -3.570 -1.219 15.197 263 HE2 MET 36 1HE MET 36 -2.089 -2.064 14.681 264 HE3 MET 36 2HE MET 36 -2.285 -0.326 14.351 265 H HIS 37 H HIS 37 -2.356 -1.039 7.213 266 HA HIS 37 HA HIS 37 -2.084 -3.658 6.146 267 HB2 HIS 37 1HB HIS 37 -2.860 -0.996 4.879 268 HB3 HIS 37 2HB HIS 37 -2.993 -2.547 4.078 269 HD2 HIS 37 2HD HIS 37 -4.626 -4.373 5.065 270 HE1 HIS 37 1HE HIS 37 -7.136 -1.740 7.277 271 HE2 HIS 37 2HE HIS 37 -6.877 -4.141 6.387 272 H LEU 38 H LEU 38 -1.058 -4.175 3.970 273 HA LEU 38 HA LEU 38 1.612 -2.870 3.737 274 HB2 LEU 38 2HB LEU 38 1.720 -5.023 4.839 275 HB3 LEU 38 3HB LEU 38 0.780 -5.750 3.541 276 HG LEU 38 HG LEU 38 2.729 -5.363 1.999 277 HD11 LEU 38 1HD1 LEU 38 4.892 -4.766 2.968 278 HD12 LEU 38 2HD1 LEU 38 3.712 -3.504 3.311 279 HD13 LEU 38 3HD1 LEU 38 4.164 -4.645 4.590 280 HD21 LEU 38 3HD2 LEU 38 2.681 -7.580 2.875 281 HD22 LEU 38 1HD2 LEU 38 4.312 -7.019 3.176 282 HD23 LEU 38 2HD2 LEU 38 3.135 -7.034 4.506 283 H PHE 39 H PHE 39 2.626 -2.858 1.727 284 HA PHE 39 HA PHE 39 1.200 -3.625 -0.702 285 HB2 PHE 39 2HB PHE 39 1.585 -0.712 0.111 286 HB3 PHE 39 3HB PHE 39 1.431 -1.157 -1.576 287 HD1 PHE 39 1HD PHE 39 -0.548 -2.969 -2.004 288 HD2 PHE 39 2HD PHE 39 -0.420 -0.007 1.084 289 HE1 PHE 39 1HE PHE 39 -3.047 -3.064 -1.814 290 HE2 PHE 39 2HE PHE 39 -2.877 -0.142 1.327 291 HZ PHE 39 HZ PHE 39 -4.207 -1.576 -0.258 292 H HIS 40 H HIS 40 2.598 -2.389 -2.623 293 HA HIS 40 HA HIS 40 5.373 -3.262 -2.425 294 HB2 HIS 40 1HB HIS 40 3.875 -1.437 -4.286 295 HB3 HIS 40 2HB HIS 40 5.611 -1.566 -4.379 296 HD2 HIS 40 2HD HIS 40 6.508 -4.219 -4.951 297 HE1 HIS 40 1HE HIS 40 3.410 -4.434 -7.872 298 HE2 HIS 40 2HE HIS 40 5.636 -5.394 -7.133 299 H GLN 41 H GLN 41 7.116 -1.994 -1.931 300 HA GLN 41 HA GLN 41 6.890 0.354 -0.363 301 HB2 GLN 41 2HB GLN 41 8.907 -1.220 -0.502 302 HB3 GLN 41 3HB GLN 41 9.080 -0.741 -2.187 303 HG2 GLN 41 2HG GLN 41 9.480 1.662 -1.200 304 HG3 GLN 41 3HG GLN 41 9.790 0.800 0.308 305 HE21 GLN 41 1HE2 GLN 41 10.851 -1.561 -1.738 306 HE22 GLN 41 2HE2 GLN 41 12.404 -0.968 -2.174 307 H VAL 42 H VAL 42 7.920 -0.083 -3.732 308 HA VAL 42 HA VAL 42 8.100 2.669 -4.279 309 HB VAL 42 HB VAL 42 8.709 0.380 -5.575 310 HG11 VAL 42 1HG1 VAL 42 6.426 -0.017 -6.432 311 HG12 VAL 42 2HG1 VAL 42 6.511 1.525 -7.324 312 HG13 VAL 42 3HG1 VAL 42 7.623 0.204 -7.717 313 HG21 VAL 42 3HG2 VAL 42 9.820 2.549 -5.854 314 HG22 VAL 42 1HG2 VAL 42 9.506 1.808 -7.432 315 HG23 VAL 42 2HG2 VAL 42 8.469 3.133 -6.851 316 H CYS 43 H CYS 43 5.301 0.714 -3.926 317 HA CYS 43 HA CYS 43 3.479 2.570 -5.500 318 HB2 CYS 43 2HB CYS 43 2.986 0.275 -3.616 319 HB3 CYS 43 3HB CYS 43 1.763 1.342 -4.225 320 H VAL 44 H VAL 44 4.422 1.861 -2.030 321 HA VAL 44 HA VAL 44 2.374 3.460 -0.960 322 HB VAL 44 HB VAL 44 4.272 1.719 -0.041 323 HG11 VAL 44 1HG1 VAL 44 5.130 4.397 1.114 324 HG12 VAL 44 2HG1 VAL 44 5.710 2.786 1.578 325 HG13 VAL 44 3HG1 VAL 44 6.064 3.414 -0.037 326 HG21 VAL 44 3HG2 VAL 44 2.704 3.733 1.595 327 HG22 VAL 44 1HG2 VAL 44 2.112 2.181 0.946 328 HG23 VAL 44 2HG2 VAL 44 3.381 2.192 2.187 329 H ASP 45 H ASP 45 5.396 4.140 -2.391 330 HA ASP 45 HA ASP 45 5.694 6.921 -1.500 331 HB2 ASP 45 2HB ASP 45 7.679 5.714 -2.208 332 HB3 ASP 45 3HB ASP 45 6.960 5.333 -3.773 333 H GLN 46 H GLN 46 5.114 5.737 -4.889 334 HA GLN 46 HA GLN 46 4.238 8.257 -5.766 335 HB2 GLN 46 2HB GLN 46 3.522 5.504 -6.853 336 HB3 GLN 46 3HB GLN 46 3.110 7.036 -7.638 337 HG2 GLN 46 2HG GLN 46 5.666 7.584 -7.407 338 HG3 GLN 46 3HG GLN 46 5.853 5.838 -7.198 339 HE21 GLN 46 1HE2 GLN 46 5.210 8.446 -9.473 340 HE22 GLN 46 2HE2 GLN 46 5.045 7.403 -10.879 341 H TRP 47 H TRP 47 2.439 5.846 -4.018 342 HA TRP 47 HA TRP 47 -0.151 6.879 -4.435 343 HB2 TRP 47 2HB TRP 47 0.419 4.626 -3.580 344 HB3 TRP 47 3HB TRP 47 1.073 5.337 -2.103 345 HD1 TRP 47 HD1 TRP 47 -0.532 4.732 -0.258 346 HE1 TRP 47 HE1 TRP 47 -3.064 4.870 0.094 347 HE3 TRP 47 HE3 TRP 47 -2.008 6.322 -4.908 348 HZ2 TRP 47 HZ2 TRP 47 -5.377 5.114 -1.469 349 HZ3 TRP 47 HZ3 TRP 47 -4.353 6.801 -5.339 350 HH2 TRP 47 HH2 TRP 47 -6.124 6.087 -3.706 351 H LEU 48 H LEU 48 2.158 7.333 -1.709 352 HA LEU 48 HA LEU 48 0.715 9.228 -0.263 353 HB2 LEU 48 2HB LEU 48 3.509 8.224 -0.447 354 HB3 LEU 48 3HB LEU 48 3.396 9.825 0.176 355 HG LEU 48 HG LEU 48 1.849 7.433 1.268 356 HD11 LEU 48 1HD1 LEU 48 4.283 7.270 1.619 357 HD12 LEU 48 2HD1 LEU 48 4.299 8.898 2.335 358 HD13 LEU 48 3HD1 LEU 48 3.442 7.568 3.153 359 HD21 LEU 48 3HD2 LEU 48 0.627 9.488 1.818 360 HD22 LEU 48 1HD2 LEU 48 1.488 8.952 3.260 361 HD23 LEU 48 2HD2 LEU 48 2.132 10.298 2.293 362 H ILE 49 H ILE 49 2.438 9.735 -3.317 363 HA ILE 49 HA ILE 49 2.887 12.501 -3.108 364 HB ILE 49 HB ILE 49 2.146 10.798 -5.480 365 HG12 ILE 49 2HG1 ILE 49 4.187 10.042 -4.309 366 HG13 ILE 49 3HG1 ILE 49 4.435 10.587 -5.956 367 HG21 ILE 49 1HG2 ILE 49 3.315 12.547 -6.825 368 HG22 ILE 49 2HG2 ILE 49 1.742 13.017 -6.169 369 HG23 ILE 49 3HG2 ILE 49 3.218 13.605 -5.387 370 HD11 ILE 49 3HD1 ILE 49 5.288 12.728 -5.163 371 HD12 ILE 49 1HD1 ILE 49 4.985 12.233 -3.477 372 HD13 ILE 49 2HD1 ILE 49 6.201 11.380 -4.454 373 H THR 50 H THR 50 -0.173 10.746 -3.433 374 HA THR 50 HA THR 50 -1.593 13.350 -3.797 375 HB THR 50 HB THR 50 -3.223 12.047 -5.193 376 HG1 THR 50 1HG THR 50 -1.133 10.119 -5.327 377 HG21 THR 50 1HG2 THR 50 -1.931 12.115 -7.238 378 HG22 THR 50 2HG2 THR 50 -1.424 13.473 -6.214 379 HG23 THR 50 3HG2 THR 50 -0.402 12.026 -6.345 380 H ASN 51 H ASN 51 -2.115 9.882 -3.015 381 HA ASN 51 HA ASN 51 -4.356 10.270 -1.345 382 HB2 ASN 51 2HB ASN 51 -3.767 8.124 -2.327 383 HB3 ASN 51 3HB ASN 51 -2.197 8.130 -1.500 384 HD21 ASN 51 1HD2 ASN 51 -5.698 7.787 -0.996 385 HD22 ASN 51 2HD2 ASN 51 -5.487 7.051 0.593 386 H LYS 52 H LYS 52 -4.578 10.252 0.879 387 HA LYS 52 HA LYS 52 -2.190 10.441 2.610 388 HB2 LYS 52 2HB LYS 52 -3.079 12.438 3.756 389 HB3 LYS 52 3HB LYS 52 -2.705 12.751 2.066 390 HG2 LYS 52 2HG LYS 52 -5.459 11.913 2.169 391 HG3 LYS 52 3HG LYS 52 -5.222 13.088 3.463 392 HD2 LYS 52 2HD LYS 52 -4.283 14.692 1.824 393 HD3 LYS 52 3HD LYS 52 -4.466 13.478 0.531 394 HE2 LYS 52 2HE LYS 52 -6.918 13.399 0.984 395 HE3 LYS 52 3HE LYS 52 -6.723 14.646 2.224 396 HZ1 LYS 52 3HZ LYS 52 -6.097 14.974 -0.645 397 HZ2 LYS 52 1HZ LYS 52 -7.429 15.574 0.118 398 HZ3 LYS 52 2HZ LYS 52 -5.933 16.138 0.506 399 H LYS 53 H LYS 53 -4.397 8.376 2.105 400 HA LYS 53 HA LYS 53 -5.366 8.041 4.849 401 HB2 LYS 53 2HB LYS 53 -7.259 7.980 2.435 402 HB3 LYS 53 3HB LYS 53 -7.632 7.682 4.125 403 HG2 LYS 53 2HG LYS 53 -6.887 10.088 4.591 404 HG3 LYS 53 3HG LYS 53 -6.849 10.319 2.836 405 HD2 LYS 53 2HD LYS 53 -8.936 11.150 3.709 406 HD3 LYS 53 3HD LYS 53 -9.270 9.703 2.722 407 HE2 LYS 53 2HE LYS 53 -9.510 8.327 4.703 408 HE3 LYS 53 3HE LYS 53 -8.811 9.585 5.716 409 HZ1 LYS 53 3HZ LYS 53 -11.130 9.501 6.010 410 HZ2 LYS 53 1HZ LYS 53 -10.704 10.932 5.355 411 HZ3 LYS 53 2HZ LYS 53 -11.429 9.759 4.407 412 H CYS 54 H CYS 54 -6.123 5.798 5.112 413 HA CYS 54 HA CYS 54 -4.353 3.944 3.692 414 HB2 CYS 54 2HB CYS 54 -5.248 3.719 6.007 415 HB3 CYS 54 3HB CYS 54 -6.853 3.440 5.293 416 HA PRO 55 HA PRO 55 -7.085 3.643 0.101 417 HB2 PRO 55 2HB PRO 55 -5.923 1.536 -1.199 418 HB3 PRO 55 3HB PRO 55 -5.140 3.111 -1.132 419 HG2 PRO 55 2HG PRO 55 -4.679 0.763 0.650 420 HG3 PRO 55 3HG PRO 55 -3.445 1.766 -0.202 421 HD2 PRO 55 2HD PRO 55 -4.063 2.175 2.395 422 HD3 PRO 55 3HD PRO 55 -3.734 3.550 1.345 423 H ILE 56 H ILE 56 -6.390 1.049 2.408 424 HA ILE 56 HA ILE 56 -8.670 -0.574 1.477 425 HB ILE 56 HB ILE 56 -6.529 -1.013 3.547 426 HG12 ILE 56 2HG1 ILE 56 -7.265 -2.663 1.095 427 HG13 ILE 56 3HG1 ILE 56 -6.237 -1.237 0.933 428 HG21 ILE 56 1HG2 ILE 56 -8.968 -2.723 2.849 429 HG22 ILE 56 2HG2 ILE 56 -7.578 -3.312 3.775 430 HG23 ILE 56 3HG2 ILE 56 -8.590 -2.033 4.440 431 HD11 ILE 56 3HD1 ILE 56 -5.633 -3.562 2.783 432 HD12 ILE 56 1HD1 ILE 56 -4.905 -3.285 1.193 433 HD13 ILE 56 2HD1 ILE 56 -4.633 -2.113 2.505 434 H CYS 57 H CYS 57 -7.562 0.605 4.719 435 HA CYS 57 HA CYS 57 -10.281 0.430 5.754 436 HB2 CYS 57 2HB CYS 57 -9.229 1.229 7.818 437 HB3 CYS 57 3HB CYS 57 -8.569 -0.236 7.172 438 H ARG 58 H ARG 58 -8.735 2.927 3.959 439 HA ARG 58 HA ARG 58 -9.536 4.885 3.238 440 HB2 ARG 58 2HB ARG 58 -11.656 3.195 3.373 441 HB3 ARG 58 3HB ARG 58 -12.265 4.512 4.367 442 HG2 ARG 58 2HG ARG 58 -11.214 4.698 1.502 443 HG3 ARG 58 3HG ARG 58 -12.909 4.717 1.998 444 HD2 ARG 58 2HD ARG 58 -12.450 6.802 3.320 445 HD3 ARG 58 3HD ARG 58 -10.825 6.850 2.624 446 HE ARG 58 HE ARG 58 -13.365 7.535 1.386 447 HH11 ARG 58 2HH2 ARG 58 -10.087 6.465 0.646 448 HH12 ARG 58 1HH2 ARG 58 -10.035 7.169 -0.933 449 HH21 ARG 58 2HH1 ARG 58 -13.331 8.490 -0.727 450 HH22 ARG 58 1HH1 ARG 58 -11.938 8.343 -1.728 451 H VAL 59 H VAL 59 -8.470 4.756 6.111 452 HA VAL 59 HA VAL 59 -9.670 7.350 6.963 453 HB VAL 59 HB VAL 59 -9.422 6.854 9.144 454 HG11 VAL 59 1HG1 VAL 59 -10.678 4.834 9.510 455 HG12 VAL 59 2HG1 VAL 59 -11.154 5.459 7.910 456 HG13 VAL 59 3HG1 VAL 59 -9.994 4.108 8.039 457 HG21 VAL 59 3HG2 VAL 59 -7.555 4.569 8.461 458 HG22 VAL 59 1HG2 VAL 59 -7.200 6.081 9.346 459 HG23 VAL 59 2HG2 VAL 59 -8.236 4.854 10.083 460 H ASP 60 H ASP 60 -8.260 8.917 7.885 461 HA ASP 60 HA ASP 60 -5.795 9.067 6.482 462 HB2 ASP 60 2HB ASP 60 -6.618 10.790 8.864 463 HB3 ASP 60 3HB ASP 60 -5.635 11.214 7.489 464 H ILE 61 H ILE 61 -3.879 8.189 7.185 465 HA ILE 61 HA ILE 61 -3.686 6.518 9.253 466 HB ILE 61 HB ILE 61 -1.372 8.126 8.154 467 HG12 ILE 61 2HG1 ILE 61 -1.501 5.682 6.832 468 HG13 ILE 61 3HG1 ILE 61 -3.198 6.088 6.945 469 HG21 ILE 61 1HG2 ILE 61 -0.225 5.911 8.657 470 HG22 ILE 61 2HG2 ILE 61 -0.734 6.845 10.071 471 HG23 ILE 61 3HG2 ILE 61 -1.694 5.450 9.538 472 HD11 ILE 61 3HD1 ILE 61 -2.334 6.998 4.883 473 HD12 ILE 61 1HD1 ILE 61 -2.549 8.386 5.975 474 HD13 ILE 61 2HD1 ILE 61 -0.934 7.714 5.717 475 H GLU 62 H GLU 62 -3.342 9.954 9.419 476 HA GLU 62 HA GLU 62 -3.136 11.448 11.114 477 HB2 GLU 62 2HB GLU 62 -5.019 9.490 11.864 478 HB3 GLU 62 3HB GLU 62 -4.107 9.777 13.329 479 HG2 GLU 62 2HG GLU 62 -5.433 11.896 11.586 480 HG3 GLU 62 3HG GLU 62 -6.073 11.256 13.100 481 H ALA 63 H ALA 63 -0.793 10.868 10.566 482 HA ALA 63 HA ALA 63 0.638 10.795 13.112 483 HB1 ALA 63 1HB ALA 63 0.504 8.376 12.489 484 HB2 ALA 63 2HB ALA 63 1.298 8.747 10.940 485 HB3 ALA 63 3HB ALA 63 2.171 8.977 12.473 486 H GLN 64 H GLN 64 3.142 11.015 12.525 487 HA GLN 64 HA GLN 64 3.472 13.357 10.879 488 HB2 GLN 64 2HB GLN 64 5.384 11.390 12.194 489 HB3 GLN 64 3HB GLN 64 5.969 12.703 11.159 490 HG2 GLN 64 2HG GLN 64 4.873 14.379 12.565 491 HG3 GLN 64 3HG GLN 64 4.213 13.115 13.618 492 HE21 GLN 64 1HE2 GLN 64 6.076 15.381 14.331 493 HE22 GLN 64 2HE2 GLN 64 7.485 14.552 14.980 494 H LEU 65 H LEU 65 4.610 13.528 8.872 495 HA LEU 65 HA LEU 65 4.169 11.162 7.137 496 HB2 LEU 65 2HB LEU 65 4.468 14.130 6.472 497 HB3 LEU 65 3HB LEU 65 4.328 12.831 5.295 498 HG LEU 65 HG LEU 65 2.123 12.246 6.745 499 HD11 LEU 65 1HD1 LEU 65 2.406 15.284 6.968 500 HD12 LEU 65 2HD1 LEU 65 0.942 14.346 7.330 501 HD13 LEU 65 3HD1 LEU 65 2.377 14.141 8.331 502 HD21 LEU 65 3HD2 LEU 65 2.315 14.383 4.582 503 HD22 LEU 65 1HD2 LEU 65 2.193 12.626 4.326 504 HD23 LEU 65 2HD2 LEU 65 0.838 13.506 5.048 505 HA PRO 66 HA PRO 66 8.576 10.874 6.831 506 HB2 PRO 66 2HB PRO 66 8.879 9.323 4.610 507 HB3 PRO 66 3HB PRO 66 8.039 8.688 6.063 508 HG2 PRO 66 2HG PRO 66 6.779 9.943 3.592 509 HG3 PRO 66 3HG PRO 66 6.378 8.364 4.343 510 HD2 PRO 66 2HD PRO 66 4.968 10.631 4.908 511 HD3 PRO 66 3HD PRO 66 5.305 9.408 6.175 512 H SER 67 H SER 67 10.424 11.307 5.426 513 HA SER 67 HA SER 67 10.075 12.903 3.044 514 HB2 SER 67 2HB SER 67 9.638 14.485 4.978 515 HB3 SER 67 3HB SER 67 11.240 14.091 5.609 516 HG SER 67 HG SER 67 10.584 15.383 3.160 517 H GLU 68 H GLU 68 12.153 12.843 1.910 518 HA GLU 68 HA GLU 68 14.412 11.591 3.336 519 HB2 GLU 68 2HB GLU 68 13.159 10.667 0.730 520 HB3 GLU 68 3HB GLU 68 14.907 10.546 0.978 521 HG2 GLU 68 2HG GLU 68 14.481 9.319 3.132 522 HG3 GLU 68 3HG GLU 68 12.763 9.262 2.711 523 H SER 69 H SER 69 16.476 12.222 2.342 524 HA SER 69 HA SER 69 16.618 14.312 0.381 525 HB2 SER 69 2HB SER 69 17.167 14.844 3.340 526 HB3 SER 69 3HB SER 69 17.820 15.838 2.024 527 HG SER 69 HG SER 69 15.081 15.364 1.968 Start of MODEL 15 1 H1 MET 1 H1 MET 1 12.721 -12.887 -3.258 2 H2 MET 1 H2 MET 1 14.031 -13.872 -3.077 3 H3 MET 1 H3 MET 1 12.640 -14.088 -2.196 4 HA MET 1 HA MET 1 14.512 -12.988 -0.935 5 HB2 MET 1 2HB MET 1 13.767 -10.918 -3.029 6 HB3 MET 1 3HB MET 1 14.570 -10.471 -1.516 7 HG2 MET 1 2HG MET 1 16.557 -11.512 -2.079 8 HG3 MET 1 3HG MET 1 15.792 -12.679 -3.159 9 HE1 MET 1 3HE MET 1 18.535 -10.670 -3.618 10 HE2 MET 1 1HE MET 1 18.082 -12.146 -4.506 11 HE3 MET 1 2HE MET 1 18.361 -10.626 -5.386 12 H LYS 2 H LYS 2 13.168 -13.228 0.908 13 HA LYS 2 HA LYS 2 11.380 -11.079 1.397 14 HB2 LYS 2 2HB LYS 2 9.346 -12.256 1.782 15 HB3 LYS 2 3HB LYS 2 9.810 -12.523 0.116 16 HG2 LYS 2 2HG LYS 2 10.242 -14.543 2.371 17 HG3 LYS 2 3HG LYS 2 8.831 -14.488 1.321 18 HD2 LYS 2 2HD LYS 2 10.396 -14.797 -0.669 19 HD3 LYS 2 3HD LYS 2 11.682 -15.129 0.526 20 HE2 LYS 2 2HE LYS 2 9.771 -16.716 1.552 21 HE3 LYS 2 3HE LYS 2 9.170 -16.685 -0.108 22 HZ1 LYS 2 3HZ LYS 2 11.867 -17.529 0.747 23 HZ2 LYS 2 1HZ LYS 2 10.650 -18.526 0.284 24 HZ3 LYS 2 2HZ LYS 2 11.329 -17.510 -0.820 25 H GLN 3 H GLN 3 10.361 -11.501 3.706 26 HA GLN 3 HA GLN 3 12.580 -12.179 5.444 27 HB2 GLN 3 2HB GLN 3 10.879 -10.310 5.748 28 HB3 GLN 3 3HB GLN 3 9.677 -11.544 6.154 29 HG2 GLN 3 2HG GLN 3 10.954 -12.211 8.118 30 HG3 GLN 3 3HG GLN 3 12.337 -11.222 7.607 31 HE21 GLN 3 1HE2 GLN 3 12.279 -10.023 9.666 32 HE22 GLN 3 2HE2 GLN 3 11.019 -8.813 9.873 33 H ASP 4 H ASP 4 12.892 -14.161 6.481 34 HA ASP 4 HA ASP 4 11.187 -16.387 5.702 35 HB2 ASP 4 2HB ASP 4 13.679 -16.529 5.891 36 HB3 ASP 4 3HB ASP 4 13.540 -16.259 7.636 37 H GLY 5 H GLY 5 10.207 -17.839 7.336 38 HA2 GLY 5 2HA GLY 5 9.619 -18.163 9.693 39 HA3 GLY 5 3HA GLY 5 9.305 -16.424 9.828 40 H GLU 6 H GLU 6 7.704 -15.603 8.120 41 HA GLU 6 HA GLU 6 5.539 -15.470 7.462 42 HB2 GLU 6 2HB GLU 6 6.835 -16.869 5.781 43 HB3 GLU 6 3HB GLU 6 5.951 -18.274 6.381 44 HG2 GLU 6 2HG GLU 6 3.851 -17.369 5.623 45 HG3 GLU 6 3HG GLU 6 4.528 -15.744 5.456 46 H GLU 7 H GLU 7 5.465 -15.878 10.107 47 HA GLU 7 HA GLU 7 3.026 -17.519 10.439 48 HB2 GLU 7 2HB GLU 7 4.958 -18.784 11.342 49 HB3 GLU 7 3HB GLU 7 5.409 -17.395 12.343 50 HG2 GLU 7 2HG GLU 7 3.253 -17.566 13.560 51 HG3 GLU 7 3HG GLU 7 2.757 -18.897 12.508 52 H GLY 8 H GLY 8 1.444 -16.308 11.483 53 HA2 GLY 8 2HA GLY 8 0.591 -14.665 12.932 54 HA3 GLY 8 3HA GLY 8 2.201 -13.956 13.086 55 H THR 9 H THR 9 0.014 -14.592 10.253 56 HA THR 9 HA THR 9 0.642 -11.981 9.152 57 HB THR 9 HB THR 9 0.273 -13.783 7.649 58 HG1 THR 9 1HG THR 9 -0.837 -12.536 6.281 59 HG21 THR 9 1HG2 THR 9 -1.893 -14.772 7.263 60 HG22 THR 9 2HG2 THR 9 -1.460 -15.015 8.969 61 HG23 THR 9 3HG2 THR 9 -2.629 -13.756 8.519 62 H GLU 10 H GLU 10 -0.202 -10.122 9.872 63 HA GLU 10 HA GLU 10 -3.040 -9.858 10.270 64 HB2 GLU 10 2HB GLU 10 -1.614 -10.583 12.613 65 HB3 GLU 10 3HB GLU 10 -1.851 -8.840 12.761 66 HG2 GLU 10 2HG GLU 10 -4.266 -9.111 12.326 67 HG3 GLU 10 3HG GLU 10 -4.052 -10.854 12.121 68 H GLU 11 H GLU 11 -0.031 -8.274 11.429 69 HA GLU 11 HA GLU 11 -0.783 -5.653 10.474 70 HB2 GLU 11 2HB GLU 11 0.735 -6.452 12.465 71 HB3 GLU 11 3HB GLU 11 1.998 -6.554 11.238 72 HG2 GLU 11 2HG GLU 11 1.511 -4.083 10.720 73 HG3 GLU 11 3HG GLU 11 0.379 -4.096 12.071 74 H ASP 12 H ASP 12 -0.421 -8.022 8.508 75 HA ASP 12 HA ASP 12 0.836 -6.509 6.372 76 HB2 ASP 12 2HB ASP 12 2.758 -7.777 7.407 77 HB3 ASP 12 3HB ASP 12 1.875 -9.291 7.141 78 H THR 13 H THR 13 -1.696 -6.813 6.760 79 HA THR 13 HA THR 13 -2.632 -9.147 5.209 80 HB THR 13 HB THR 13 -3.817 -8.346 7.224 81 HG1 THR 13 1HG THR 13 -4.952 -9.526 5.694 82 HG21 THR 13 1HG2 THR 13 -5.069 -6.176 5.652 83 HG22 THR 13 2HG2 THR 13 -4.834 -6.302 7.409 84 HG23 THR 13 3HG2 THR 13 -3.470 -5.830 6.358 85 H GLU 14 H GLU 14 -0.964 -8.325 3.656 86 HA GLU 14 HA GLU 14 -1.718 -6.193 1.832 87 HB2 GLU 14 2HB GLU 14 -0.138 -7.311 0.256 88 HB3 GLU 14 3HB GLU 14 0.575 -6.814 1.761 89 HG2 GLU 14 2HG GLU 14 0.996 -8.973 2.487 90 HG3 GLU 14 3HG GLU 14 -0.353 -9.677 1.630 91 H GLU 15 H GLU 15 -4.148 -6.992 1.791 92 HA GLU 15 HA GLU 15 -4.551 -9.347 0.166 93 HB2 GLU 15 2HB GLU 15 -6.413 -7.257 1.295 94 HB3 GLU 15 3HB GLU 15 -6.962 -8.436 0.099 95 HG2 GLU 15 2HG GLU 15 -5.494 -9.941 2.030 96 HG3 GLU 15 3HG GLU 15 -6.517 -8.833 2.942 97 H LYS 16 H LYS 16 -2.990 -8.567 -1.460 98 HA LYS 16 HA LYS 16 -2.508 -8.098 -3.600 99 HB2 LYS 16 2HB LYS 16 -5.467 -7.517 -4.067 100 HB3 LYS 16 3HB LYS 16 -4.238 -7.875 -5.257 101 HG2 LYS 16 2HG LYS 16 -5.412 -9.893 -5.057 102 HG3 LYS 16 3HG LYS 16 -3.956 -10.175 -4.083 103 HD2 LYS 16 2HD LYS 16 -5.132 -10.026 -2.071 104 HD3 LYS 16 3HD LYS 16 -6.486 -9.142 -2.821 105 HE2 LYS 16 2HE LYS 16 -7.025 -11.318 -4.038 106 HE3 LYS 16 3HE LYS 16 -5.793 -12.095 -3.020 107 HZ1 LYS 16 3HZ LYS 16 -7.046 -11.364 -1.076 108 HZ2 LYS 16 1HZ LYS 16 -8.188 -10.686 -1.992 109 HZ3 LYS 16 2HZ LYS 16 -7.972 -12.317 -2.009 110 H CYS 17 H CYS 17 -1.976 -6.256 -4.921 111 HA CYS 17 HA CYS 17 -1.829 -3.859 -3.333 112 HB2 CYS 17 2HB CYS 17 0.049 -4.633 -4.566 113 HB3 CYS 17 3HB CYS 17 -0.869 -4.470 -6.074 114 H THR 18 H THR 18 -3.067 -2.191 -3.562 115 HA THR 18 HA THR 18 -5.401 -2.404 -5.424 116 HB THR 18 HB THR 18 -6.338 -0.631 -3.894 117 HG1 THR 18 1HG THR 18 -5.313 -0.484 -1.882 118 HG21 THR 18 1HG2 THR 18 -6.978 -3.022 -3.666 119 HG22 THR 18 2HG2 THR 18 -5.568 -3.308 -2.627 120 HG23 THR 18 3HG2 THR 18 -6.882 -2.249 -2.072 121 H ILE 19 H ILE 19 -2.639 -0.403 -4.546 122 HA ILE 19 HA ILE 19 -3.452 1.918 -5.990 123 HB ILE 19 HB ILE 19 -0.773 0.823 -4.979 124 HG12 ILE 19 2HG1 ILE 19 -1.283 3.012 -3.482 125 HG13 ILE 19 3HG1 ILE 19 -2.940 2.634 -3.874 126 HG21 ILE 19 1HG2 ILE 19 -0.287 2.341 -6.792 127 HG22 ILE 19 2HG2 ILE 19 -1.352 3.579 -6.069 128 HG23 ILE 19 3HG2 ILE 19 0.141 3.054 -5.238 129 HD11 ILE 19 3HD1 ILE 19 -1.213 0.384 -2.884 130 HD12 ILE 19 1HD1 ILE 19 -1.598 1.682 -1.740 131 HD13 ILE 19 2HD1 ILE 19 -2.913 0.789 -2.516 132 H CYS 20 H CYS 20 -1.636 -1.026 -6.826 133 HA CYS 20 HA CYS 20 -1.336 0.007 -9.612 134 HB2 CYS 20 2HB CYS 20 -0.116 -2.267 -9.817 135 HB3 CYS 20 3HB CYS 20 0.661 -0.868 -9.070 136 H LEU 21 H LEU 21 -3.863 -0.966 -8.088 137 HA LEU 21 HA LEU 21 -5.587 -2.468 -8.338 138 HB2 LEU 21 2HB LEU 21 -5.193 -1.042 -10.861 139 HB3 LEU 21 3HB LEU 21 -6.271 -2.432 -10.891 140 HG LEU 21 HG LEU 21 -7.272 -1.389 -8.695 141 HD11 LEU 21 1HD1 LEU 21 -6.370 1.081 -10.251 142 HD12 LEU 21 2HD1 LEU 21 -7.371 1.044 -8.779 143 HD13 LEU 21 3HD1 LEU 21 -5.669 0.546 -8.716 144 HD21 LEU 21 3HD2 LEU 21 -8.991 -0.327 -10.117 145 HD22 LEU 21 1HD2 LEU 21 -7.887 -0.417 -11.513 146 HD23 LEU 21 2HD2 LEU 21 -8.498 -1.905 -10.755 147 H SER 22 H SER 22 -3.357 -4.050 -8.030 148 HA SER 22 HA SER 22 -4.182 -6.394 -9.601 149 HB2 SER 22 2HB SER 22 -2.048 -6.820 -10.640 150 HB3 SER 22 3HB SER 22 -2.560 -5.185 -11.080 151 HG SER 22 HG SER 22 -0.598 -5.954 -9.158 152 H ILE 23 H ILE 23 -2.913 -8.418 -8.987 153 HA ILE 23 HA ILE 23 -2.398 -8.717 -6.196 154 HB ILE 23 HB ILE 23 -1.087 -10.728 -7.199 155 HG12 ILE 23 2HG1 ILE 23 -1.321 -9.472 -9.581 156 HG13 ILE 23 3HG1 ILE 23 -1.114 -11.171 -9.326 157 HG21 ILE 23 1HG2 ILE 23 -3.113 -10.933 -5.974 158 HG22 ILE 23 2HG2 ILE 23 -4.095 -10.400 -7.351 159 HG23 ILE 23 3HG2 ILE 23 -3.222 -11.961 -7.391 160 HD11 ILE 23 3HD1 ILE 23 -3.429 -11.662 -9.582 161 HD12 ILE 23 1HD1 ILE 23 -3.866 -9.942 -9.628 162 HD13 ILE 23 2HD1 ILE 23 -2.924 -10.660 -10.953 163 H LEU 24 H LEU 24 -0.414 -8.679 -5.083 164 HA LEU 24 HA LEU 24 1.673 -7.016 -6.105 165 HB2 LEU 24 2HB LEU 24 1.222 -8.839 -3.722 166 HB3 LEU 24 3HB LEU 24 2.855 -8.386 -4.100 167 HG LEU 24 HG LEU 24 0.595 -6.469 -3.523 168 HD11 LEU 24 1HD1 LEU 24 1.454 -7.671 -1.561 169 HD12 LEU 24 2HD1 LEU 24 3.101 -7.142 -1.922 170 HD13 LEU 24 3HD1 LEU 24 1.856 -5.952 -1.469 171 HD21 LEU 24 3HD2 LEU 24 2.131 -5.347 -5.040 172 HD22 LEU 24 1HD2 LEU 24 2.442 -4.743 -3.417 173 HD23 LEU 24 2HD2 LEU 24 3.537 -5.949 -4.127 174 H GLU 25 H GLU 25 3.980 -7.879 -6.027 175 HA GLU 25 HA GLU 25 4.334 -10.441 -7.387 176 HB2 GLU 25 2HB GLU 25 5.628 -9.379 -9.213 177 HB3 GLU 25 3HB GLU 25 3.903 -8.973 -9.266 178 HG2 GLU 25 2HG GLU 25 4.343 -6.830 -8.157 179 HG3 GLU 25 3HG GLU 25 6.061 -7.216 -8.029 180 H GLU 26 H GLU 26 6.619 -11.140 -7.215 181 HA GLU 26 HA GLU 26 7.982 -9.913 -4.983 182 HB2 GLU 26 2HB GLU 26 7.617 -12.414 -5.388 183 HB3 GLU 26 3HB GLU 26 8.879 -12.319 -6.619 184 HG2 GLU 26 2HG GLU 26 10.471 -11.472 -4.883 185 HG3 GLU 26 3HG GLU 26 9.175 -11.509 -3.685 186 H GLY 27 H GLY 27 8.074 -7.916 -6.469 187 HA2 GLY 27 2HA GLY 27 10.019 -8.032 -8.676 188 HA3 GLY 27 3HA GLY 27 9.012 -6.653 -8.208 189 H GLU 28 H GLU 28 9.600 -5.854 -5.775 190 HA GLU 28 HA GLU 28 12.440 -6.057 -5.193 191 HB2 GLU 28 2HB GLU 28 11.559 -3.935 -6.661 192 HB3 GLU 28 3HB GLU 28 11.178 -3.350 -5.048 193 HG2 GLU 28 2HG GLU 28 13.610 -4.091 -4.431 194 HG3 GLU 28 3HG GLU 28 13.855 -4.302 -6.161 195 H ASP 29 H ASP 29 12.157 -4.057 -3.177 196 HA ASP 29 HA ASP 29 10.976 -5.767 -1.116 197 HB2 ASP 29 2HB ASP 29 12.750 -3.357 -1.154 198 HB3 ASP 29 3HB ASP 29 11.660 -3.498 0.228 199 H VAL 30 H VAL 30 9.349 -5.075 0.394 200 HA VAL 30 HA VAL 30 7.527 -2.998 -0.620 201 HB VAL 30 HB VAL 30 5.716 -4.521 0.036 202 HG11 VAL 30 1HG1 VAL 30 6.854 -4.300 -2.229 203 HG12 VAL 30 2HG1 VAL 30 7.526 -5.902 -1.924 204 HG13 VAL 30 3HG1 VAL 30 5.744 -5.678 -1.985 205 HG21 VAL 30 3HG2 VAL 30 7.835 -6.659 0.302 206 HG22 VAL 30 1HG2 VAL 30 6.924 -5.925 1.651 207 HG23 VAL 30 2HG2 VAL 30 6.072 -6.869 0.412 208 H ARG 31 H ARG 31 5.827 -2.543 1.065 209 HA ARG 31 HA ARG 31 7.023 -2.389 3.707 210 HB2 ARG 31 2HB ARG 31 8.381 -0.828 2.475 211 HB3 ARG 31 3HB ARG 31 6.951 -0.032 1.850 212 HG2 ARG 31 2HG ARG 31 7.341 -0.180 4.857 213 HG3 ARG 31 3HG ARG 31 8.329 0.950 3.911 214 HD2 ARG 31 2HD ARG 31 6.312 1.859 2.876 215 HD3 ARG 31 3HD ARG 31 5.284 0.882 3.892 216 HE ARG 31 HE ARG 31 6.768 2.075 5.760 217 HH11 ARG 31 2HH2 ARG 31 4.864 3.367 3.090 218 HH12 ARG 31 1HH2 ARG 31 4.516 4.879 3.844 219 HH21 ARG 31 2HH1 ARG 31 6.367 4.105 6.783 220 HH22 ARG 31 1HH1 ARG 31 5.394 5.302 6.010 221 H ARG 32 H ARG 32 5.495 -1.898 5.305 222 HA ARG 32 HA ARG 32 2.781 -1.509 4.289 223 HB2 ARG 32 2HB ARG 32 2.132 -2.002 6.681 224 HB3 ARG 32 3HB ARG 32 2.871 -3.333 5.817 225 HG2 ARG 32 2HG ARG 32 4.738 -1.626 7.424 226 HG3 ARG 32 3HG ARG 32 3.541 -2.571 8.310 227 HD2 ARG 32 2HD ARG 32 4.261 -4.614 7.005 228 HD3 ARG 32 3HD ARG 32 5.582 -3.669 6.323 229 HE ARG 32 HE ARG 32 6.707 -3.812 8.356 230 HH11 ARG 32 2HH2 ARG 32 3.313 -4.967 8.766 231 HH12 ARG 32 1HH2 ARG 32 3.529 -5.186 10.455 232 HH21 ARG 32 2HH1 ARG 32 6.841 -4.212 10.742 233 HH22 ARG 32 1HH1 ARG 32 5.356 -4.704 11.527 234 H LEU 33 H LEU 33 1.361 0.039 5.036 235 HA LEU 33 HA LEU 33 2.765 2.557 5.650 236 HB2 LEU 33 2HB LEU 33 -0.120 2.804 5.873 237 HB3 LEU 33 3HB LEU 33 1.065 3.713 4.952 238 HG LEU 33 HG LEU 33 1.016 1.685 3.358 239 HD11 LEU 33 1HD1 LEU 33 -0.669 0.672 5.251 240 HD12 LEU 33 2HD1 LEU 33 -1.856 1.427 4.176 241 HD13 LEU 33 3HD1 LEU 33 -0.744 0.186 3.550 242 HD21 LEU 33 3HD2 LEU 33 -1.225 3.713 3.580 243 HD22 LEU 33 1HD2 LEU 33 0.325 3.898 2.732 244 HD23 LEU 33 2HD2 LEU 33 -0.878 2.738 2.127 245 HA PRO 34 HA PRO 34 2.484 1.907 9.958 246 HB2 PRO 34 2HB PRO 34 1.814 4.506 10.903 247 HB3 PRO 34 3HB PRO 34 3.434 3.813 10.633 248 HG2 PRO 34 2HG PRO 34 1.930 5.739 8.954 249 HG3 PRO 34 3HG PRO 34 3.679 5.427 9.014 250 HD2 PRO 34 2HD PRO 34 1.932 4.564 6.991 251 HD3 PRO 34 3HD PRO 34 3.556 3.893 7.311 252 H CYS 35 H CYS 35 -0.308 2.645 8.250 253 HA CYS 35 HA CYS 35 -2.476 2.672 10.128 254 HB2 CYS 35 2HB CYS 35 -2.768 3.111 7.781 255 HB3 CYS 35 3HB CYS 35 -2.093 1.521 7.385 256 H MET 36 H MET 36 -0.768 -0.066 8.550 257 HA MET 36 HA MET 36 -0.736 -2.172 10.097 258 HB2 MET 36 2HB MET 36 -2.816 -1.900 11.229 259 HB3 MET 36 3HB MET 36 -3.704 -1.608 9.714 260 HG2 MET 36 2HG MET 36 -3.392 -3.955 9.084 261 HG3 MET 36 3HG MET 36 -2.341 -4.201 10.488 262 HE1 MET 36 3HE MET 36 -5.170 -6.368 11.775 263 HE2 MET 36 1HE MET 36 -4.490 -6.306 10.131 264 HE3 MET 36 2HE MET 36 -3.424 -6.140 11.547 265 H HIS 37 H HIS 37 -2.644 -1.117 7.246 266 HA HIS 37 HA HIS 37 -2.419 -3.663 5.930 267 HB2 HIS 37 1HB HIS 37 -3.019 -0.909 4.781 268 HB3 HIS 37 2HB HIS 37 -3.295 -2.433 3.973 269 HD2 HIS 37 2HD HIS 37 -4.992 -4.186 5.142 270 HE1 HIS 37 1HE HIS 37 -7.392 -1.280 7.136 271 HE2 HIS 37 2HE HIS 37 -7.230 -3.757 6.454 272 H LEU 38 H LEU 38 -1.194 -4.142 3.901 273 HA LEU 38 HA LEU 38 1.399 -2.699 3.874 274 HB2 LEU 38 2HB LEU 38 1.622 -4.834 4.896 275 HB3 LEU 38 3HB LEU 38 0.970 -5.644 3.484 276 HG LEU 38 HG LEU 38 3.316 -3.834 3.142 277 HD11 LEU 38 1HD1 LEU 38 4.139 -6.581 3.868 278 HD12 LEU 38 2HD1 LEU 38 4.981 -5.041 4.052 279 HD13 LEU 38 3HD1 LEU 38 3.686 -5.518 5.185 280 HD21 LEU 38 3HD2 LEU 38 4.056 -5.426 1.456 281 HD22 LEU 38 1HD2 LEU 38 2.876 -6.627 1.999 282 HD23 LEU 38 2HD2 LEU 38 2.327 -5.176 1.174 283 H PHE 39 H PHE 39 2.539 -2.532 1.874 284 HA PHE 39 HA PHE 39 1.162 -3.339 -0.563 285 HB2 PHE 39 2HB PHE 39 1.509 -0.416 0.219 286 HB3 PHE 39 3HB PHE 39 1.362 -0.896 -1.464 287 HD1 PHE 39 2HD PHE 39 -0.549 -2.663 -1.964 288 HD2 PHE 39 1HD PHE 39 -0.529 0.112 1.320 289 HE1 PHE 39 2HE PHE 39 -3.033 -2.917 -1.721 290 HE2 PHE 39 1HE PHE 39 -2.991 -0.128 1.539 291 HZ PHE 39 HZ PHE 39 -4.234 -1.571 -0.136 292 H HIS 40 H HIS 40 2.484 -2.263 -2.480 293 HA HIS 40 HA HIS 40 5.216 -3.174 -2.408 294 HB2 HIS 40 1HB HIS 40 3.509 -1.516 -4.189 295 HB3 HIS 40 2HB HIS 40 5.249 -1.373 -4.420 296 HD2 HIS 40 2HD HIS 40 6.298 -4.224 -4.735 297 HE1 HIS 40 1HE HIS 40 3.294 -4.537 -7.755 298 HE2 HIS 40 2HE HIS 40 5.467 -5.533 -6.851 299 H GLN 41 H GLN 41 7.146 -1.868 -2.059 300 HA GLN 41 HA GLN 41 6.728 0.411 -0.365 301 HB2 GLN 41 2HB GLN 41 8.681 -1.104 -0.158 302 HB3 GLN 41 3HB GLN 41 9.248 -0.619 -1.763 303 HG2 GLN 41 2HG GLN 41 9.703 1.631 -1.000 304 HG3 GLN 41 3HG GLN 41 8.859 1.337 0.534 305 HE21 GLN 41 1HE2 GLN 41 10.916 2.009 1.655 306 HE22 GLN 41 2HE2 GLN 41 12.183 0.788 1.741 307 H VAL 42 H VAL 42 8.028 0.084 -3.679 308 HA VAL 42 HA VAL 42 8.149 2.885 -4.104 309 HB VAL 42 HB VAL 42 8.840 0.658 -5.514 310 HG11 VAL 42 1HG1 VAL 42 6.606 0.404 -6.565 311 HG12 VAL 42 2HG1 VAL 42 6.785 2.025 -7.288 312 HG13 VAL 42 3HG1 VAL 42 7.892 0.722 -7.739 313 HG21 VAL 42 3HG2 VAL 42 8.717 3.531 -6.522 314 HG22 VAL 42 1HG2 VAL 42 10.006 2.812 -5.529 315 HG23 VAL 42 2HG2 VAL 42 9.757 2.250 -7.190 316 H CYS 43 H CYS 43 5.379 0.844 -3.979 317 HA CYS 43 HA CYS 43 3.584 2.709 -5.573 318 HB2 CYS 43 2HB CYS 43 3.077 0.409 -3.710 319 HB3 CYS 43 3HB CYS 43 1.844 1.428 -4.382 320 H VAL 44 H VAL 44 4.521 1.997 -2.133 321 HA VAL 44 HA VAL 44 2.395 3.409 -0.980 322 HB VAL 44 HB VAL 44 4.486 1.833 -0.145 323 HG11 VAL 44 1HG1 VAL 44 6.037 3.805 -0.235 324 HG12 VAL 44 2HG1 VAL 44 5.109 4.544 1.079 325 HG13 VAL 44 3HG1 VAL 44 5.971 2.998 1.291 326 HG21 VAL 44 3HG2 VAL 44 3.594 2.076 2.080 327 HG22 VAL 44 1HG2 VAL 44 2.830 3.640 1.642 328 HG23 VAL 44 2HG2 VAL 44 2.282 2.118 0.905 329 H ASP 45 H ASP 45 5.305 4.379 -2.485 330 HA ASP 45 HA ASP 45 5.544 7.086 -1.401 331 HB2 ASP 45 2HB ASP 45 7.562 6.118 -2.316 332 HB3 ASP 45 3HB ASP 45 6.744 5.629 -3.791 333 H GLN 46 H GLN 46 5.036 6.327 -4.863 334 HA GLN 46 HA GLN 46 3.788 8.653 -5.609 335 HB2 GLN 46 2HB GLN 46 3.489 5.787 -6.552 336 HB3 GLN 46 3HB GLN 46 2.606 7.083 -7.355 337 HG2 GLN 46 2HG GLN 46 5.518 7.637 -6.965 338 HG3 GLN 46 3HG GLN 46 5.148 6.274 -8.022 339 HE21 GLN 46 1HE2 GLN 46 4.466 9.800 -7.551 340 HE22 GLN 46 2HE2 GLN 46 4.041 10.037 -9.243 341 H TRP 47 H TRP 47 2.302 5.948 -3.928 342 HA TRP 47 HA TRP 47 -0.399 6.831 -4.173 343 HB2 TRP 47 2HB TRP 47 0.303 4.549 -3.497 344 HB3 TRP 47 3HB TRP 47 0.904 5.185 -1.964 345 HD1 TRP 47 HD1 TRP 47 -0.818 4.773 -0.112 346 HE1 TRP 47 HE1 TRP 47 -3.400 4.811 0.070 347 HE3 TRP 47 HE3 TRP 47 -2.050 5.892 -4.980 348 HZ2 TRP 47 HZ2 TRP 47 -5.589 4.977 -1.636 349 HZ3 TRP 47 HZ3 TRP 47 -4.363 6.159 -5.630 350 HH2 TRP 47 HH2 TRP 47 -6.218 5.621 -4.010 351 H LEU 48 H LEU 48 1.953 7.177 -1.470 352 HA LEU 48 HA LEU 48 0.375 8.813 0.149 353 HB2 LEU 48 2HB LEU 48 3.243 8.048 -0.106 354 HB3 LEU 48 3HB LEU 48 3.034 9.590 0.613 355 HG LEU 48 HG LEU 48 1.444 7.167 1.507 356 HD11 LEU 48 1HD1 LEU 48 4.157 8.085 2.514 357 HD12 LEU 48 2HD1 LEU 48 3.091 6.959 3.391 358 HD13 LEU 48 3HD1 LEU 48 3.738 6.528 1.789 359 HD21 LEU 48 3HD2 LEU 48 2.187 9.752 2.959 360 HD22 LEU 48 1HD2 LEU 48 0.608 9.410 2.233 361 HD23 LEU 48 2HD2 LEU 48 1.169 8.447 3.604 362 H ILE 49 H ILE 49 2.481 9.734 -2.667 363 HA ILE 49 HA ILE 49 2.209 12.490 -2.336 364 HB ILE 49 HB ILE 49 2.299 10.927 -4.908 365 HG12 ILE 49 2HG1 ILE 49 4.136 10.165 -3.689 366 HG13 ILE 49 3HG1 ILE 49 4.727 11.346 -4.808 367 HG21 ILE 49 1HG2 ILE 49 3.034 13.792 -4.240 368 HG22 ILE 49 2HG2 ILE 49 3.350 12.984 -5.794 369 HG23 ILE 49 3HG2 ILE 49 1.684 13.260 -5.261 370 HD11 ILE 49 3HD1 ILE 49 5.805 11.658 -2.672 371 HD12 ILE 49 1HD1 ILE 49 4.703 13.033 -2.936 372 HD13 ILE 49 2HD1 ILE 49 4.239 11.705 -1.842 373 H THR 50 H THR 50 -0.020 10.094 -3.966 374 HA THR 50 HA THR 50 -1.885 12.261 -4.595 375 HB THR 50 HB THR 50 -3.239 10.428 -5.574 376 HG1 THR 50 1HG THR 50 -1.012 8.740 -5.157 377 HG21 THR 50 1HG2 THR 50 -1.731 9.915 -7.441 378 HG22 THR 50 2HG2 THR 50 -1.549 11.612 -6.953 379 HG23 THR 50 3HG2 THR 50 -0.323 10.413 -6.484 380 H ASN 51 H ASN 51 -2.698 9.111 -3.062 381 HA ASN 51 HA ASN 51 -4.703 10.565 -1.432 382 HB2 ASN 51 2HB ASN 51 -4.152 7.693 -2.112 383 HB3 ASN 51 3HB ASN 51 -5.070 8.057 -0.661 384 HD21 ASN 51 1HD2 ASN 51 -5.029 8.427 -4.184 385 HD22 ASN 51 2HD2 ASN 51 -6.746 8.761 -4.355 386 H LYS 52 H LYS 52 -4.028 11.386 0.437 387 HA LYS 52 HA LYS 52 -1.743 10.194 1.854 388 HB2 LYS 52 2HB LYS 52 -2.745 12.778 1.490 389 HB3 LYS 52 3HB LYS 52 -3.217 12.440 3.140 390 HG2 LYS 52 2HG LYS 52 -1.044 12.391 3.893 391 HG3 LYS 52 3HG LYS 52 -0.381 11.719 2.400 392 HD2 LYS 52 2HD LYS 52 -1.487 14.526 2.344 393 HD3 LYS 52 3HD LYS 52 0.081 14.220 3.084 394 HE2 LYS 52 2HE LYS 52 0.408 14.860 0.765 395 HE3 LYS 52 3HE LYS 52 0.948 13.202 1.041 396 HZ1 LYS 52 3HZ LYS 52 -0.260 13.435 -1.016 397 HZ2 LYS 52 1HZ LYS 52 -0.956 12.378 -0.045 398 HZ3 LYS 52 2HZ LYS 52 -1.636 13.884 -0.243 399 H LYS 53 H LYS 53 -4.344 8.691 1.617 400 HA LYS 53 HA LYS 53 -4.794 8.142 4.472 401 HB2 LYS 53 2HB LYS 53 -7.059 8.442 2.406 402 HB3 LYS 53 3HB LYS 53 -7.208 7.809 4.019 403 HG2 LYS 53 2HG LYS 53 -7.631 9.872 4.756 404 HG3 LYS 53 3HG LYS 53 -5.917 10.205 4.512 405 HD2 LYS 53 2HD LYS 53 -6.929 11.961 3.416 406 HD3 LYS 53 3HD LYS 53 -6.619 10.836 2.070 407 HE2 LYS 53 2HE LYS 53 -8.953 9.969 2.309 408 HE3 LYS 53 3HE LYS 53 -9.206 11.051 3.687 409 HZ1 LYS 53 3HZ LYS 53 -10.123 11.988 1.692 410 HZ2 LYS 53 1HZ LYS 53 -8.878 12.918 2.225 411 HZ3 LYS 53 2HZ LYS 53 -8.663 11.929 0.924 412 H CYS 54 H CYS 54 -6.003 6.047 4.627 413 HA CYS 54 HA CYS 54 -4.302 4.045 3.289 414 HB2 CYS 54 2HB CYS 54 -5.194 3.945 5.607 415 HB3 CYS 54 3HB CYS 54 -6.825 3.800 4.929 416 HA PRO 55 HA PRO 55 -7.140 3.674 -0.217 417 HB2 PRO 55 2HB PRO 55 -6.126 1.355 -1.325 418 HB3 PRO 55 3HB PRO 55 -5.399 2.916 -1.580 419 HG2 PRO 55 2HG PRO 55 -4.575 0.731 0.203 420 HG3 PRO 55 3HG PRO 55 -3.544 1.971 -0.589 421 HD2 PRO 55 2HD PRO 55 -4.364 1.910 2.092 422 HD3 PRO 55 3HD PRO 55 -3.682 3.318 1.280 423 H ILE 56 H ILE 56 -6.698 1.349 2.370 424 HA ILE 56 HA ILE 56 -8.992 -0.289 1.444 425 HB ILE 56 HB ILE 56 -6.852 -0.748 3.518 426 HG12 ILE 56 2HG1 ILE 56 -7.652 -2.478 1.149 427 HG13 ILE 56 3HG1 ILE 56 -6.615 -1.071 0.888 428 HG21 ILE 56 1HG2 ILE 56 -9.368 -2.368 2.887 429 HG22 ILE 56 2HG2 ILE 56 -7.993 -2.996 3.810 430 HG23 ILE 56 3HG2 ILE 56 -8.940 -1.655 4.453 431 HD11 ILE 56 3HD1 ILE 56 -4.998 -1.863 2.488 432 HD12 ILE 56 1HD1 ILE 56 -6.004 -3.288 2.861 433 HD13 ILE 56 2HD1 ILE 56 -5.291 -3.108 1.249 434 H CYS 57 H CYS 57 -7.795 0.903 4.623 435 HA CYS 57 HA CYS 57 -10.488 1.006 5.733 436 HB2 CYS 57 2HB CYS 57 -9.282 1.837 7.704 437 HB3 CYS 57 3HB CYS 57 -8.746 0.299 7.125 438 H ARG 58 H ARG 58 -8.709 3.259 3.778 439 HA ARG 58 HA ARG 58 -9.351 5.239 2.917 440 HB2 ARG 58 2HB ARG 58 -11.655 3.761 3.255 441 HB3 ARG 58 3HB ARG 58 -12.080 5.269 4.054 442 HG2 ARG 58 2HG ARG 58 -11.046 4.912 1.198 443 HG3 ARG 58 3HG ARG 58 -12.710 5.257 1.685 444 HD2 ARG 58 2HD ARG 58 -11.895 7.412 2.707 445 HD3 ARG 58 3HD ARG 58 -10.307 7.098 2.005 446 HE ARG 58 HE ARG 58 -12.875 7.446 0.516 447 HH11 ARG 58 2HH2 ARG 58 -9.349 7.750 0.448 448 HH12 ARG 58 1HH2 ARG 58 -9.266 8.626 -1.030 449 HH21 ARG 58 2HH1 ARG 58 -12.838 8.631 -1.432 450 HH22 ARG 58 1HH1 ARG 58 -11.350 9.176 -2.110 451 H VAL 59 H VAL 59 -8.301 5.177 5.818 452 HA VAL 59 HA VAL 59 -9.169 7.967 6.424 453 HB VAL 59 HB VAL 59 -9.106 7.585 8.660 454 HG11 VAL 59 1HG1 VAL 59 -10.055 4.904 7.664 455 HG12 VAL 59 2HG1 VAL 59 -10.683 5.804 9.061 456 HG13 VAL 59 3HG1 VAL 59 -10.979 6.408 7.407 457 HG21 VAL 59 3HG2 VAL 59 -8.312 5.460 9.760 458 HG22 VAL 59 1HG2 VAL 59 -7.605 4.989 8.197 459 HG23 VAL 59 2HG2 VAL 59 -7.048 6.464 9.038 460 H ASP 60 H ASP 60 -7.566 9.365 7.452 461 HA ASP 60 HA ASP 60 -5.049 9.068 6.211 462 HB2 ASP 60 2HB ASP 60 -5.679 10.846 8.616 463 HB3 ASP 60 3HB ASP 60 -4.483 11.077 7.374 464 H ILE 61 H ILE 61 -3.462 7.784 6.887 465 HA ILE 61 HA ILE 61 -3.497 6.095 8.900 466 HB ILE 61 HB ILE 61 -0.981 7.431 7.873 467 HG12 ILE 61 2HG1 ILE 61 -1.397 5.029 6.506 468 HG13 ILE 61 3HG1 ILE 61 -3.031 5.642 6.631 469 HG21 ILE 61 1HG2 ILE 61 -1.633 4.813 9.232 470 HG22 ILE 61 2HG2 ILE 61 -0.115 5.076 8.331 471 HG23 ILE 61 3HG2 ILE 61 -0.490 6.052 9.767 472 HD11 ILE 61 3HD1 ILE 61 -2.098 6.478 4.582 473 HD12 ILE 61 1HD1 ILE 61 -2.089 7.866 5.692 474 HD13 ILE 61 2HD1 ILE 61 -0.592 6.975 5.390 475 H GLU 62 H GLU 62 -2.456 9.426 9.211 476 HA GLU 62 HA GLU 62 -3.293 9.823 11.697 477 HB2 GLU 62 2HB GLU 62 -0.830 8.348 11.986 478 HB3 GLU 62 3HB GLU 62 -0.502 9.978 12.534 479 HG2 GLU 62 2HG GLU 62 -2.639 9.907 13.876 480 HG3 GLU 62 3HG GLU 62 -2.792 8.201 13.456 481 H ALA 63 H ALA 63 -3.267 11.125 9.271 482 HA ALA 63 HA ALA 63 -2.589 12.871 8.013 483 HB1 ALA 63 1HB ALA 63 -2.353 14.259 10.714 484 HB2 ALA 63 2HB ALA 63 -2.662 15.026 9.131 485 HB3 ALA 63 3HB ALA 63 -3.871 13.955 9.849 486 H GLN 64 H GLN 64 -0.634 14.952 9.368 487 HA GLN 64 HA GLN 64 1.517 15.528 9.042 488 HB2 GLN 64 2HB GLN 64 1.520 13.369 10.764 489 HB3 GLN 64 3HB GLN 64 2.708 12.876 9.558 490 HG2 GLN 64 2HG GLN 64 3.922 15.037 9.915 491 HG3 GLN 64 3HG GLN 64 2.661 15.549 11.043 492 HE21 GLN 64 1HE2 GLN 64 3.684 15.583 13.070 493 HE22 GLN 64 2HE2 GLN 64 4.583 14.200 13.673 494 H LEU 65 H LEU 65 3.739 14.434 8.040 495 HA LEU 65 HA LEU 65 3.084 13.522 5.294 496 HB2 LEU 65 2HB LEU 65 5.129 15.574 6.246 497 HB3 LEU 65 3HB LEU 65 5.350 14.691 4.744 498 HG LEU 65 HG LEU 65 2.638 15.653 4.784 499 HD11 LEU 65 1HD1 LEU 65 3.393 17.359 6.383 500 HD12 LEU 65 2HD1 LEU 65 4.708 17.830 5.278 501 HD13 LEU 65 3HD1 LEU 65 3.011 18.081 4.809 502 HD21 LEU 65 3HD2 LEU 65 4.001 15.141 2.769 503 HD22 LEU 65 1HD2 LEU 65 3.363 16.794 2.710 504 HD23 LEU 65 2HD2 LEU 65 5.063 16.515 3.138 505 HA PRO 66 HA PRO 66 5.743 10.187 6.529 506 HB2 PRO 66 2HB PRO 66 6.371 9.083 4.137 507 HB3 PRO 66 3HB PRO 66 4.664 9.186 4.667 508 HG2 PRO 66 2HG PRO 66 6.140 11.140 2.849 509 HG3 PRO 66 3HG PRO 66 4.592 10.309 2.519 510 HD2 PRO 66 2HD PRO 66 4.671 12.816 3.560 511 HD3 PRO 66 3HD PRO 66 3.429 11.636 4.083 512 H SER 67 H SER 67 7.182 11.951 7.386 513 HA SER 67 HA SER 67 9.299 12.598 7.793 514 HB2 SER 67 2HB SER 67 9.748 10.204 7.145 515 HB3 SER 67 3HB SER 67 10.251 10.774 5.552 516 HG SER 67 HG SER 67 11.893 11.939 6.496 517 H GLU 68 H GLU 68 9.626 12.213 4.220 518 HA GLU 68 HA GLU 68 9.118 15.020 3.781 519 HB2 GLU 68 2HB GLU 68 11.518 15.058 4.551 520 HB3 GLU 68 3HB GLU 68 11.937 14.001 3.193 521 HG2 GLU 68 2HG GLU 68 10.985 15.739 1.626 522 HG3 GLU 68 3HG GLU 68 10.687 16.783 3.023 523 H SER 69 H SER 69 10.880 12.189 2.397 524 HA SER 69 HA SER 69 8.840 11.695 0.439 525 HB2 SER 69 2HB SER 69 10.334 13.419 -0.682 526 HB3 SER 69 3HB SER 69 11.696 12.301 -0.447 527 HG SER 69 HG SER 69 10.261 10.736 -1.559 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -11.877 -6.587 15.360 2 H2 MET 1 H2 MET 1 -11.886 -6.507 13.712 3 H3 MET 1 H3 MET 1 -10.520 -6.138 14.550 4 HA MET 1 HA MET 1 -11.529 -4.150 13.761 5 HB2 MET 1 2HB MET 1 -13.865 -4.972 13.679 6 HB3 MET 1 3HB MET 1 -13.915 -5.003 15.437 7 HG2 MET 1 2HG MET 1 -14.872 -2.986 15.144 8 HG3 MET 1 3HG MET 1 -13.216 -2.409 15.145 9 HE1 MET 1 3HE MET 1 -12.010 -1.364 13.076 10 HE2 MET 1 1HE MET 1 -12.060 -2.916 12.196 11 HE3 MET 1 2HE MET 1 -12.629 -1.431 11.412 12 H LYS 2 H LYS 2 -12.751 -4.784 17.162 13 HA LYS 2 HA LYS 2 -10.360 -3.623 18.285 14 HB2 LYS 2 2HB LYS 2 -11.551 -1.730 19.315 15 HB3 LYS 2 3HB LYS 2 -11.553 -1.606 17.561 16 HG2 LYS 2 2HG LYS 2 -13.911 -2.689 17.632 17 HG3 LYS 2 3HG LYS 2 -13.884 -2.362 19.372 18 HD2 LYS 2 2HD LYS 2 -13.479 -0.277 17.184 19 HD3 LYS 2 3HD LYS 2 -15.020 -0.603 17.998 20 HE2 LYS 2 2HE LYS 2 -14.070 0.008 20.166 21 HE3 LYS 2 3HE LYS 2 -12.470 0.237 19.447 22 HZ1 LYS 2 3HZ LYS 2 -13.356 2.041 18.145 23 HZ2 LYS 2 1HZ LYS 2 -14.868 1.819 18.760 24 HZ3 LYS 2 2HZ LYS 2 -13.645 2.322 19.739 25 H GLN 3 H GLN 3 -10.175 -4.496 20.338 26 HA GLN 3 HA GLN 3 -10.409 -6.172 21.822 27 HB2 GLN 3 2HB GLN 3 -13.378 -5.508 21.888 28 HB3 GLN 3 3HB GLN 3 -12.444 -6.398 23.087 29 HG2 GLN 3 2HG GLN 3 -12.381 -4.400 24.128 30 HG3 GLN 3 3HG GLN 3 -10.956 -4.175 23.121 31 HE21 GLN 3 1HE2 GLN 3 -14.424 -3.391 23.515 32 HE22 GLN 3 2HE2 GLN 3 -14.374 -1.968 22.490 33 H ASP 4 H ASP 4 -12.087 -8.160 22.286 34 HA ASP 4 HA ASP 4 -12.537 -10.263 21.740 35 HB2 ASP 4 2HB ASP 4 -13.970 -8.695 19.665 36 HB3 ASP 4 3HB ASP 4 -13.796 -10.427 19.357 37 H GLY 5 H GLY 5 -10.407 -10.915 21.764 38 HA2 GLY 5 2HA GLY 5 -9.557 -12.868 20.392 39 HA3 GLY 5 3HA GLY 5 -9.273 -11.671 19.112 40 H GLU 6 H GLU 6 -7.432 -13.399 21.055 41 HA GLU 6 HA GLU 6 -5.526 -11.236 21.442 42 HB2 GLU 6 2HB GLU 6 -5.101 -11.890 23.772 43 HB3 GLU 6 3HB GLU 6 -6.758 -11.337 23.545 44 HG2 GLU 6 2HG GLU 6 -7.541 -13.703 23.452 45 HG3 GLU 6 3HG GLU 6 -5.882 -14.260 23.700 46 H GLU 7 H GLU 7 -5.900 -13.895 19.764 47 HA GLU 7 HA GLU 7 -3.272 -15.072 20.512 48 HB2 GLU 7 2HB GLU 7 -5.214 -16.339 21.451 49 HB3 GLU 7 3HB GLU 7 -5.777 -16.623 19.795 50 HG2 GLU 7 2HG GLU 7 -3.648 -17.802 19.284 51 HG3 GLU 7 3HG GLU 7 -3.043 -17.420 20.901 52 H GLY 8 H GLY 8 -2.270 -14.031 18.816 53 HA2 GLY 8 2HA GLY 8 -1.473 -14.390 16.532 54 HA3 GLY 8 3HA GLY 8 -3.121 -14.829 16.054 55 H THR 9 H THR 9 -1.099 -12.176 17.236 56 HA THR 9 HA THR 9 -2.872 -10.046 17.004 57 HB THR 9 HB THR 9 -0.706 -9.935 18.053 58 HG1 THR 9 1HG THR 9 -0.903 -7.961 16.037 59 HG21 THR 9 1HG2 THR 9 0.443 -9.673 15.262 60 HG22 THR 9 2HG2 THR 9 1.322 -9.574 16.804 61 HG23 THR 9 3HG2 THR 9 0.589 -11.112 16.289 62 H GLU 10 H GLU 10 -3.901 -9.023 15.347 63 HA GLU 10 HA GLU 10 -3.266 -9.800 12.574 64 HB2 GLU 10 2HB GLU 10 -5.438 -8.045 13.805 65 HB3 GLU 10 3HB GLU 10 -5.233 -8.323 12.066 66 HG2 GLU 10 2HG GLU 10 -5.480 -10.788 12.476 67 HG3 GLU 10 3HG GLU 10 -5.868 -10.437 14.167 68 H GLU 11 H GLU 11 -1.603 -8.692 11.603 69 HA GLU 11 HA GLU 11 -1.777 -5.823 11.435 70 HB2 GLU 11 2HB GLU 11 -0.239 -6.365 13.459 71 HB3 GLU 11 3HB GLU 11 0.899 -7.016 12.273 72 HG2 GLU 11 2HG GLU 11 0.931 -4.765 11.142 73 HG3 GLU 11 3HG GLU 11 -0.213 -4.170 12.344 74 H ASP 12 H ASP 12 -0.111 -5.183 9.504 75 HA ASP 12 HA ASP 12 0.205 -5.526 7.250 76 HB2 ASP 12 2HB ASP 12 1.887 -7.650 8.614 77 HB3 ASP 12 3HB ASP 12 1.926 -7.381 6.867 78 H THR 13 H THR 13 -2.247 -6.181 7.594 79 HA THR 13 HA THR 13 -2.720 -8.837 6.438 80 HB THR 13 HB THR 13 -4.364 -7.672 7.927 81 HG1 THR 13 1HG THR 13 -5.051 -9.392 6.710 82 HG21 THR 13 1HG2 THR 13 -4.112 -5.466 6.608 83 HG22 THR 13 2HG2 THR 13 -5.219 -6.234 5.439 84 HG23 THR 13 3HG2 THR 13 -5.755 -5.960 7.117 85 H GLU 14 H GLU 14 -1.324 -8.846 4.849 86 HA GLU 14 HA GLU 14 -1.415 -6.916 2.653 87 HB2 GLU 14 2HB GLU 14 0.404 -8.232 1.679 88 HB3 GLU 14 3HB GLU 14 0.739 -7.743 3.343 89 HG2 GLU 14 2HG GLU 14 0.284 -10.018 4.154 90 HG3 GLU 14 3HG GLU 14 -0.052 -10.548 2.497 91 H GLU 15 H GLU 15 -3.114 -7.118 1.173 92 HA GLU 15 HA GLU 15 -3.363 -9.754 0.009 93 HB2 GLU 15 2HB GLU 15 -5.752 -9.846 0.025 94 HB3 GLU 15 3HB GLU 15 -5.156 -9.701 1.654 95 HG2 GLU 15 2HG GLU 15 -6.903 -8.273 1.816 96 HG3 GLU 15 3HG GLU 15 -5.652 -7.121 1.381 97 H LYS 16 H LYS 16 -2.446 -9.220 -1.827 98 HA LYS 16 HA LYS 16 -1.947 -8.289 -3.822 99 HB2 LYS 16 2HB LYS 16 -3.493 -8.741 -5.183 100 HB3 LYS 16 3HB LYS 16 -4.469 -9.144 -3.816 101 HG2 LYS 16 2HG LYS 16 -4.456 -6.465 -5.251 102 HG3 LYS 16 3HG LYS 16 -5.568 -7.807 -5.498 103 HD2 LYS 16 2HD LYS 16 -5.958 -7.653 -2.929 104 HD3 LYS 16 3HD LYS 16 -5.324 -5.992 -3.097 105 HE2 LYS 16 2HE LYS 16 -7.146 -5.353 -4.480 106 HE3 LYS 16 3HE LYS 16 -7.646 -7.048 -4.726 107 HZ1 LYS 16 3HZ LYS 16 -8.157 -7.196 -2.382 108 HZ2 LYS 16 1HZ LYS 16 -7.657 -5.729 -2.072 109 HZ3 LYS 16 2HZ LYS 16 -9.007 -5.922 -3.014 110 H CYS 17 H CYS 17 -1.976 -6.205 -5.384 111 HA CYS 17 HA CYS 17 -1.640 -3.911 -3.663 112 HB2 CYS 17 2HB CYS 17 0.035 -4.752 -5.428 113 HB3 CYS 17 3HB CYS 17 -1.098 -4.019 -6.568 114 H THR 18 H THR 18 -2.923 -2.220 -3.831 115 HA THR 18 HA THR 18 -5.296 -2.478 -5.640 116 HB THR 18 HB THR 18 -5.319 -2.612 -2.950 117 HG1 THR 18 1HG THR 18 -7.357 -1.644 -4.659 118 HG21 THR 18 1HG2 THR 18 -6.215 0.192 -3.684 119 HG22 THR 18 2HG2 THR 18 -6.410 -0.613 -2.109 120 HG23 THR 18 3HG2 THR 18 -4.781 -0.216 -2.707 121 H ILE 19 H ILE 19 -2.579 -0.458 -4.704 122 HA ILE 19 HA ILE 19 -3.615 1.841 -6.122 123 HB ILE 19 HB ILE 19 -0.902 0.989 -5.004 124 HG12 ILE 19 2HG1 ILE 19 -1.669 3.266 -3.702 125 HG13 ILE 19 3HG1 ILE 19 -3.253 2.594 -3.992 126 HG21 ILE 19 1HG2 ILE 19 -0.491 2.406 -6.920 127 HG22 ILE 19 2HG2 ILE 19 -1.666 3.609 -6.326 128 HG23 ILE 19 3HG2 ILE 19 -0.154 3.294 -5.431 129 HD11 ILE 19 3HD1 ILE 19 -2.572 0.528 -2.802 130 HD12 ILE 19 1HD1 ILE 19 -0.914 1.157 -2.642 131 HD13 ILE 19 2HD1 ILE 19 -2.251 1.960 -1.807 132 H CYS 20 H CYS 20 -1.611 -1.048 -6.778 133 HA CYS 20 HA CYS 20 -1.214 -0.231 -9.643 134 HB2 CYS 20 2HB CYS 20 -0.492 -2.789 -8.279 135 HB3 CYS 20 3HB CYS 20 0.009 -2.228 -9.865 136 H LEU 21 H LEU 21 -3.949 -1.072 -8.136 137 HA LEU 21 HA LEU 21 -5.625 -2.624 -8.357 138 HB2 LEU 21 2HB LEU 21 -5.354 -1.282 -10.980 139 HB3 LEU 21 3HB LEU 21 -6.585 -2.522 -10.703 140 HG LEU 21 HG LEU 21 -7.181 -1.243 -8.557 141 HD11 LEU 21 1HD1 LEU 21 -5.319 0.397 -8.715 142 HD12 LEU 21 2HD1 LEU 21 -5.995 1.019 -10.231 143 HD13 LEU 21 3HD1 LEU 21 -6.903 1.183 -8.705 144 HD21 LEU 21 3HD2 LEU 21 -8.669 -1.565 -10.481 145 HD22 LEU 21 1HD2 LEU 21 -8.831 0.085 -9.857 146 HD23 LEU 21 2HD2 LEU 21 -7.891 -0.216 -11.339 147 H SER 22 H SER 22 -3.543 -4.305 -8.123 148 HA SER 22 HA SER 22 -4.305 -6.566 -9.710 149 HB2 SER 22 2HB SER 22 -2.991 -5.229 -11.439 150 HB3 SER 22 3HB SER 22 -1.559 -5.452 -10.417 151 HG SER 22 HG SER 22 -1.806 -7.056 -12.059 152 H ILE 23 H ILE 23 -2.519 -8.399 -9.431 153 HA ILE 23 HA ILE 23 -2.079 -8.692 -6.607 154 HB ILE 23 HB ILE 23 -0.767 -10.737 -7.546 155 HG12 ILE 23 2HG1 ILE 23 -1.004 -9.578 -9.956 156 HG13 ILE 23 3HG1 ILE 23 -0.865 -11.275 -9.654 157 HG21 ILE 23 1HG2 ILE 23 -2.800 -10.865 -6.267 158 HG22 ILE 23 2HG2 ILE 23 -3.779 -10.435 -7.680 159 HG23 ILE 23 3HG2 ILE 23 -2.883 -11.980 -7.626 160 HD11 ILE 23 3HD1 ILE 23 -3.565 -9.943 -9.956 161 HD12 ILE 23 1HD1 ILE 23 -2.678 -10.758 -11.263 162 HD13 ILE 23 2HD1 ILE 23 -3.203 -11.678 -9.842 163 H LEU 24 H LEU 24 -0.113 -8.866 -5.495 164 HA LEU 24 HA LEU 24 2.009 -7.134 -6.365 165 HB2 LEU 24 2HB LEU 24 1.469 -9.070 -4.081 166 HB3 LEU 24 3HB LEU 24 3.088 -8.480 -4.343 167 HG LEU 24 HG LEU 24 0.677 -6.724 -3.912 168 HD11 LEU 24 1HD1 LEU 24 1.618 -6.309 -1.660 169 HD12 LEU 24 2HD1 LEU 24 1.290 -8.034 -1.886 170 HD13 LEU 24 3HD1 LEU 24 2.955 -7.428 -2.006 171 HD21 LEU 24 3HD2 LEU 24 3.641 -6.049 -4.070 172 HD22 LEU 24 1HD2 LEU 24 2.348 -5.480 -5.148 173 HD23 LEU 24 2HD2 LEU 24 2.391 -4.936 -3.474 174 H GLU 25 H GLU 25 4.243 -8.062 -6.262 175 HA GLU 25 HA GLU 25 4.611 -10.561 -7.762 176 HB2 GLU 25 2HB GLU 25 5.748 -9.393 -9.595 177 HB3 GLU 25 3HB GLU 25 4.077 -8.802 -9.458 178 HG2 GLU 25 2HG GLU 25 5.046 -6.998 -7.894 179 HG3 GLU 25 3HG GLU 25 6.634 -7.464 -8.481 180 H GLU 26 H GLU 26 6.890 -11.140 -7.744 181 HA GLU 26 HA GLU 26 8.337 -10.117 -5.458 182 HB2 GLU 26 2HB GLU 26 9.918 -11.968 -5.989 183 HB3 GLU 26 3HB GLU 26 8.277 -12.483 -5.655 184 HG2 GLU 26 2HG GLU 26 9.027 -12.059 -8.550 185 HG3 GLU 26 3HG GLU 26 9.709 -13.448 -7.706 186 H GLY 27 H GLY 27 8.208 -7.998 -6.955 187 HA2 GLY 27 2HA GLY 27 10.309 -7.892 -9.004 188 HA3 GLY 27 3HA GLY 27 9.211 -6.586 -8.539 189 H GLU 28 H GLU 28 9.639 -5.925 -5.980 190 HA GLU 28 HA GLU 28 12.485 -5.897 -5.396 191 HB2 GLU 28 2HB GLU 28 11.481 -3.861 -6.863 192 HB3 GLU 28 3HB GLU 28 10.948 -3.317 -5.281 193 HG2 GLU 28 2HG GLU 28 13.590 -4.169 -4.839 194 HG3 GLU 28 3HG GLU 28 13.673 -3.507 -6.470 195 H ASP 29 H ASP 29 12.099 -3.922 -3.361 196 HA ASP 29 HA ASP 29 11.030 -5.782 -1.327 197 HB2 ASP 29 2HB ASP 29 13.204 -4.568 -0.974 198 HB3 ASP 29 3HB ASP 29 12.305 -3.046 -0.917 199 H VAL 30 H VAL 30 9.300 -5.215 0.092 200 HA VAL 30 HA VAL 30 7.442 -3.233 -1.076 201 HB VAL 30 HB VAL 30 5.683 -4.675 -0.102 202 HG11 VAL 30 1HG1 VAL 30 5.615 -6.081 -1.968 203 HG12 VAL 30 2HG1 VAL 30 6.579 -4.674 -2.477 204 HG13 VAL 30 3HG1 VAL 30 7.407 -6.182 -2.060 205 HG21 VAL 30 3HG2 VAL 30 7.872 -6.734 0.188 206 HG22 VAL 30 1HG2 VAL 30 7.111 -5.856 1.541 207 HG23 VAL 30 2HG2 VAL 30 6.134 -6.939 0.516 208 H ARG 31 H ARG 31 5.643 -2.695 0.677 209 HA ARG 31 HA ARG 31 6.802 -2.283 3.272 210 HB2 ARG 31 2HB ARG 31 7.649 -0.424 1.374 211 HB3 ARG 31 3HB ARG 31 6.264 0.372 2.082 212 HG2 ARG 31 2HG ARG 31 8.299 1.033 3.265 213 HG3 ARG 31 3HG ARG 31 7.378 -0.015 4.377 214 HD2 ARG 31 2HD ARG 31 8.743 -1.938 3.765 215 HD3 ARG 31 3HD ARG 31 9.501 -1.024 2.438 216 HE ARG 31 HE ARG 31 10.107 0.247 4.892 217 HH11 ARG 31 2HH2 ARG 31 10.631 -2.710 2.986 218 HH12 ARG 31 1HH2 ARG 31 12.258 -2.904 3.335 219 HH21 ARG 31 2HH1 ARG 31 12.313 -0.152 5.706 220 HH22 ARG 31 1HH1 ARG 31 13.187 -1.541 5.152 221 H ARG 32 H ARG 32 5.265 -1.405 4.832 222 HA ARG 32 HA ARG 32 2.547 -1.384 3.725 223 HB2 ARG 32 2HB ARG 32 1.850 -1.746 6.104 224 HB3 ARG 32 3HB ARG 32 2.666 -3.125 5.401 225 HG2 ARG 32 2HG ARG 32 4.281 -1.139 7.031 226 HG3 ARG 32 3HG ARG 32 3.186 -2.255 7.843 227 HD2 ARG 32 2HD ARG 32 4.288 -4.134 6.495 228 HD3 ARG 32 3HD ARG 32 5.559 -2.972 6.087 229 HE ARG 32 HE ARG 32 4.908 -3.199 8.917 230 HH11 ARG 32 2HH2 ARG 32 6.379 -5.055 6.401 231 HH12 ARG 32 1HH2 ARG 32 7.642 -5.757 7.347 232 HH21 ARG 32 2HH1 ARG 32 6.485 -4.159 10.312 233 HH22 ARG 32 1HH1 ARG 32 7.646 -5.276 9.683 234 H LEU 33 H LEU 33 1.105 0.133 4.563 235 HA LEU 33 HA LEU 33 2.363 2.755 5.126 236 HB2 LEU 33 2HB LEU 33 -0.545 2.044 5.642 237 HB3 LEU 33 3HB LEU 33 0.198 3.629 5.463 238 HG LEU 33 HG LEU 33 0.719 2.693 3.058 239 HD11 LEU 33 1HD1 LEU 33 -0.341 0.528 3.170 240 HD12 LEU 33 2HD1 LEU 33 -1.780 1.197 3.966 241 HD13 LEU 33 3HD1 LEU 33 -1.464 1.562 2.269 242 HD21 LEU 33 3HD2 LEU 33 -0.444 4.769 3.524 243 HD22 LEU 33 1HD2 LEU 33 -1.337 3.870 2.292 244 HD23 LEU 33 2HD2 LEU 33 -1.919 3.878 3.974 245 HA PRO 34 HA PRO 34 2.655 1.809 9.489 246 HB2 PRO 34 2HB PRO 34 2.142 4.376 10.569 247 HB3 PRO 34 3HB PRO 34 3.713 3.679 10.094 248 HG2 PRO 34 2HG PRO 34 1.982 5.601 8.594 249 HG3 PRO 34 3HG PRO 34 3.755 5.443 8.589 250 HD2 PRO 34 2HD PRO 34 2.125 4.523 6.556 251 HD3 PRO 34 3HD PRO 34 3.708 3.794 6.949 252 H CYS 35 H CYS 35 -0.240 2.586 7.996 253 HA CYS 35 HA CYS 35 -2.269 2.539 10.056 254 HB2 CYS 35 2HB CYS 35 -2.819 3.061 7.792 255 HB3 CYS 35 3HB CYS 35 -2.088 1.550 7.233 256 H MET 36 H MET 36 -0.855 -0.162 8.137 257 HA MET 36 HA MET 36 -0.718 -2.299 9.667 258 HB2 MET 36 2HB MET 36 -3.548 -1.376 9.866 259 HB3 MET 36 3HB MET 36 -3.392 -2.993 9.235 260 HG2 MET 36 2HG MET 36 -1.986 -3.686 11.082 261 HG3 MET 36 3HG MET 36 -2.067 -2.082 11.809 262 HE1 MET 36 3HE MET 36 -4.922 -1.068 11.721 263 HE2 MET 36 1HE MET 36 -5.616 -1.793 13.192 264 HE3 MET 36 2HE MET 36 -3.944 -1.182 13.202 265 H HIS 37 H HIS 37 -2.727 -1.076 6.937 266 HA HIS 37 HA HIS 37 -2.568 -3.626 5.570 267 HB2 HIS 37 1HB HIS 37 -3.264 -0.893 4.474 268 HB3 HIS 37 2HB HIS 37 -3.559 -2.417 3.682 269 HD2 HIS 37 2HD HIS 37 -5.235 -4.159 4.772 270 HE1 HIS 37 1HE HIS 37 -7.508 -1.364 7.055 271 HE2 HIS 37 2HE HIS 37 -7.430 -3.780 6.172 272 H LEU 38 H LEU 38 -1.350 -4.186 3.810 273 HA LEU 38 HA LEU 38 1.204 -2.703 3.526 274 HB2 LEU 38 2HB LEU 38 1.371 -4.835 4.579 275 HB3 LEU 38 3HB LEU 38 0.598 -5.623 3.195 276 HG LEU 38 HG LEU 38 3.111 -4.074 2.749 277 HD11 LEU 38 1HD1 LEU 38 4.496 -6.032 3.380 278 HD12 LEU 38 2HD1 LEU 38 3.650 -5.330 4.776 279 HD13 LEU 38 3HD1 LEU 38 3.054 -6.824 4.039 280 HD21 LEU 38 3HD2 LEU 38 3.552 -5.698 1.039 281 HD22 LEU 38 1HD2 LEU 38 2.410 -6.858 1.731 282 HD23 LEU 38 2HD2 LEU 38 1.807 -5.425 0.899 283 H PHE 39 H PHE 39 2.353 -2.629 1.529 284 HA PHE 39 HA PHE 39 0.977 -3.449 -0.918 285 HB2 PHE 39 2HB PHE 39 1.427 -0.526 -0.173 286 HB3 PHE 39 3HB PHE 39 1.269 -1.014 -1.854 287 HD1 PHE 39 1HD PHE 39 -0.666 -2.838 -2.207 288 HD2 PHE 39 2HD PHE 39 -0.595 0.179 0.809 289 HE1 PHE 39 1HE PHE 39 -3.146 -3.063 -1.959 290 HE2 PHE 39 2HE PHE 39 -3.065 0.005 1.054 291 HZ PHE 39 HZ PHE 39 -4.352 -1.557 -0.455 292 H HIS 40 H HIS 40 2.472 -2.230 -2.879 293 HA HIS 40 HA HIS 40 5.175 -3.219 -2.492 294 HB2 HIS 40 1HB HIS 40 4.066 -1.230 -4.497 295 HB3 HIS 40 2HB HIS 40 5.715 -1.742 -4.455 296 HD2 HIS 40 2HD HIS 40 6.339 -4.211 -5.289 297 HE1 HIS 40 1HE HIS 40 3.095 -4.184 -8.038 298 HE2 HIS 40 2HE HIS 40 5.310 -5.152 -7.561 299 H GLN 41 H GLN 41 6.995 -1.860 -2.168 300 HA GLN 41 HA GLN 41 6.741 0.363 -0.411 301 HB2 GLN 41 2HB GLN 41 8.753 -1.158 -0.610 302 HB3 GLN 41 3HB GLN 41 8.918 -0.634 -2.288 303 HG2 GLN 41 2HG GLN 41 9.248 1.764 -1.149 304 HG3 GLN 41 3HG GLN 41 9.703 0.782 0.244 305 HE21 GLN 41 1HE2 GLN 41 10.751 -1.414 -1.845 306 HE22 GLN 41 2HE2 GLN 41 12.224 -0.737 -2.418 307 H VAL 42 H VAL 42 7.778 0.161 -3.810 308 HA VAL 42 HA VAL 42 7.886 2.933 -4.215 309 HB VAL 42 HB VAL 42 8.534 0.765 -5.645 310 HG11 VAL 42 1HG1 VAL 42 6.186 1.822 -7.248 311 HG12 VAL 42 2HG1 VAL 42 7.352 0.583 -7.735 312 HG13 VAL 42 3HG1 VAL 42 6.236 0.254 -6.400 313 HG21 VAL 42 3HG2 VAL 42 9.501 2.999 -5.910 314 HG22 VAL 42 1HG2 VAL 42 9.139 2.296 -7.496 315 HG23 VAL 42 2HG2 VAL 42 8.063 3.538 -6.809 316 H CYS 43 H CYS 43 5.140 0.900 -3.941 317 HA CYS 43 HA CYS 43 3.221 2.783 -5.344 318 HB2 CYS 43 2HB CYS 43 2.887 0.313 -3.653 319 HB3 CYS 43 3HB CYS 43 1.589 1.353 -4.181 320 H VAL 44 H VAL 44 4.256 1.878 -1.941 321 HA VAL 44 HA VAL 44 2.172 3.340 -0.731 322 HB VAL 44 HB VAL 44 4.152 1.604 0.051 323 HG11 VAL 44 1HG1 VAL 44 4.941 4.244 1.329 324 HG12 VAL 44 2HG1 VAL 44 5.575 2.634 1.707 325 HG13 VAL 44 3HG1 VAL 44 5.890 3.347 0.119 326 HG21 VAL 44 3HG2 VAL 44 1.998 1.926 1.104 327 HG22 VAL 44 1HG2 VAL 44 3.293 1.945 2.321 328 HG23 VAL 44 2HG2 VAL 44 2.547 3.479 1.800 329 H ASP 45 H ASP 45 5.154 4.165 -2.193 330 HA ASP 45 HA ASP 45 5.449 6.837 -1.023 331 HB2 ASP 45 2HB ASP 45 7.412 5.646 -1.872 332 HB3 ASP 45 3HB ASP 45 6.721 5.578 -3.496 333 H GLN 46 H GLN 46 4.822 5.927 -4.456 334 HA GLN 46 HA GLN 46 3.864 8.440 -5.265 335 HB2 GLN 46 2HB GLN 46 3.195 5.622 -6.216 336 HB3 GLN 46 3HB GLN 46 2.718 7.068 -7.105 337 HG2 GLN 46 2HG GLN 46 5.627 6.917 -6.373 338 HG3 GLN 46 3HG GLN 46 5.053 5.687 -7.499 339 HE21 GLN 46 1HE2 GLN 46 5.943 6.417 -9.452 340 HE22 GLN 46 2HE2 GLN 46 5.554 8.002 -10.107 341 H TRP 47 H TRP 47 2.217 5.916 -3.460 342 HA TRP 47 HA TRP 47 -0.429 6.937 -3.843 343 HB2 TRP 47 2HB TRP 47 0.068 4.615 -3.134 344 HB3 TRP 47 3HB TRP 47 0.669 5.219 -1.584 345 HD1 TRP 47 HD1 TRP 47 -1.133 4.988 0.207 346 HE1 TRP 47 HE1 TRP 47 -3.710 5.044 0.291 347 HE3 TRP 47 HE3 TRP 47 -2.129 6.167 -4.691 348 HZ2 TRP 47 HZ2 TRP 47 -5.835 5.107 -1.585 349 HZ3 TRP 47 HZ3 TRP 47 -4.424 6.424 -5.457 350 HH2 TRP 47 HH2 TRP 47 -6.343 5.808 -3.952 351 H LEU 48 H LEU 48 1.850 7.163 -1.048 352 HA LEU 48 HA LEU 48 0.499 9.029 0.459 353 HB2 LEU 48 2HB LEU 48 3.298 8.133 0.063 354 HB3 LEU 48 3HB LEU 48 3.197 9.756 0.649 355 HG LEU 48 HG LEU 48 1.756 7.385 1.910 356 HD11 LEU 48 1HD1 LEU 48 4.202 7.139 2.036 357 HD12 LEU 48 2HD1 LEU 48 4.345 8.771 2.727 358 HD13 LEU 48 3HD1 LEU 48 3.525 7.481 3.638 359 HD21 LEU 48 3HD2 LEU 48 0.682 9.537 2.501 360 HD22 LEU 48 1HD2 LEU 48 1.563 8.904 3.892 361 HD23 LEU 48 2HD2 LEU 48 2.259 10.225 2.928 362 H ILE 49 H ILE 49 2.539 9.669 -2.440 363 HA ILE 49 HA ILE 49 2.410 12.476 -2.393 364 HB ILE 49 HB ILE 49 2.626 10.507 -4.670 365 HG12 ILE 49 2HG1 ILE 49 4.438 10.407 -2.957 366 HG13 ILE 49 3HG1 ILE 49 4.931 10.765 -4.603 367 HG21 ILE 49 1HG2 ILE 49 2.977 13.500 -4.696 368 HG22 ILE 49 2HG2 ILE 49 3.625 12.402 -5.949 369 HG23 ILE 49 3HG2 ILE 49 1.881 12.514 -5.682 370 HD11 ILE 49 3HD1 ILE 49 6.093 12.142 -2.933 371 HD12 ILE 49 1HD1 ILE 49 5.153 13.116 -4.084 372 HD13 ILE 49 2HD1 ILE 49 4.529 12.832 -2.435 373 H THR 50 H THR 50 0.028 10.072 -3.627 374 HA THR 50 HA THR 50 -1.663 12.269 -4.652 375 HB THR 50 HB THR 50 -3.089 10.302 -5.425 376 HG1 THR 50 1HG THR 50 -0.718 8.820 -4.998 377 HG21 THR 50 1HG2 THR 50 -0.218 10.495 -6.450 378 HG22 THR 50 2HG2 THR 50 -1.600 9.803 -7.328 379 HG23 THR 50 3HG2 THR 50 -1.576 11.534 -6.937 380 H ASN 51 H ASN 51 -2.458 9.301 -2.723 381 HA ASN 51 HA ASN 51 -4.363 11.001 -1.176 382 HB2 ASN 51 2HB ASN 51 -4.302 8.109 -1.990 383 HB3 ASN 51 3HB ASN 51 -5.081 8.538 -0.475 384 HD21 ASN 51 1HD2 ASN 51 -5.511 8.420 -3.861 385 HD22 ASN 51 2HD2 ASN 51 -7.002 9.352 -3.931 386 H LYS 52 H LYS 52 -3.395 11.763 0.602 387 HA LYS 52 HA LYS 52 -1.549 10.280 2.227 388 HB2 LYS 52 2HB LYS 52 -1.782 12.126 3.780 389 HB3 LYS 52 3HB LYS 52 -1.696 12.745 2.132 390 HG2 LYS 52 2HG LYS 52 -4.259 12.905 2.169 391 HG3 LYS 52 3HG LYS 52 -4.174 12.511 3.890 392 HD2 LYS 52 2HD LYS 52 -2.608 14.513 4.168 393 HD3 LYS 52 3HD LYS 52 -2.947 14.912 2.475 394 HE2 LYS 52 2HE LYS 52 -4.461 16.243 3.761 395 HE3 LYS 52 3HE LYS 52 -5.421 14.920 3.075 396 HZ1 LYS 52 3HZ LYS 52 -5.043 13.764 5.234 397 HZ2 LYS 52 1HZ LYS 52 -4.441 15.149 5.854 398 HZ3 LYS 52 2HZ LYS 52 -6.009 15.047 5.340 399 H LYS 53 H LYS 53 -4.024 8.627 1.744 400 HA LYS 53 HA LYS 53 -4.852 8.210 4.533 401 HB2 LYS 53 2HB LYS 53 -6.803 8.370 2.196 402 HB3 LYS 53 3HB LYS 53 -7.181 7.821 3.798 403 HG2 LYS 53 2HG LYS 53 -7.338 9.884 4.705 404 HG3 LYS 53 3HG LYS 53 -5.975 10.534 3.801 405 HD2 LYS 53 2HD LYS 53 -8.767 10.100 2.681 406 HD3 LYS 53 3HD LYS 53 -8.059 11.649 3.200 407 HE2 LYS 53 2HE LYS 53 -6.188 11.286 1.544 408 HE3 LYS 53 3HE LYS 53 -7.030 9.851 0.954 409 HZ1 LYS 53 3HZ LYS 53 -8.909 11.299 0.408 410 HZ2 LYS 53 1HZ LYS 53 -7.985 12.624 0.774 411 HZ3 LYS 53 2HZ LYS 53 -7.553 11.596 -0.451 412 H CYS 54 H CYS 54 -5.847 6.097 4.739 413 HA CYS 54 HA CYS 54 -4.227 4.007 3.371 414 HB2 CYS 54 2HB CYS 54 -4.976 3.904 5.727 415 HB3 CYS 54 3HB CYS 54 -6.655 3.903 5.150 416 HA PRO 55 HA PRO 55 -7.224 3.978 0.017 417 HB2 PRO 55 2HB PRO 55 -6.365 1.341 -0.814 418 HB3 PRO 55 3HB PRO 55 -6.108 2.868 -1.658 419 HG2 PRO 55 2HG PRO 55 -4.201 1.263 -0.365 420 HG3 PRO 55 3HG PRO 55 -3.971 2.933 -0.865 421 HD2 PRO 55 2HD PRO 55 -4.477 1.846 1.852 422 HD3 PRO 55 3HD PRO 55 -3.719 3.389 1.392 423 H ILE 56 H ILE 56 -6.651 1.074 2.099 424 HA ILE 56 HA ILE 56 -9.199 -0.114 1.432 425 HB ILE 56 HB ILE 56 -7.370 -0.773 3.770 426 HG12 ILE 56 2HG1 ILE 56 -6.837 -2.770 2.226 427 HG13 ILE 56 3HG1 ILE 56 -7.366 -1.750 0.892 428 HG21 ILE 56 1HG2 ILE 56 -8.556 -2.940 3.679 429 HG22 ILE 56 2HG2 ILE 56 -9.682 -1.617 3.992 430 HG23 ILE 56 3HG2 ILE 56 -9.577 -2.321 2.364 431 HD11 ILE 56 3HD1 ILE 56 -5.518 -0.316 1.146 432 HD12 ILE 56 1HD1 ILE 56 -5.332 -0.677 2.876 433 HD13 ILE 56 2HD1 ILE 56 -4.831 -1.869 1.678 434 H CYS 57 H CYS 57 -7.857 1.115 4.539 435 HA CYS 57 HA CYS 57 -10.543 1.152 5.730 436 HB2 CYS 57 2HB CYS 57 -9.298 1.779 7.736 437 HB3 CYS 57 3HB CYS 57 -8.789 0.282 7.021 438 H ARG 58 H ARG 58 -8.698 3.462 3.887 439 HA ARG 58 HA ARG 58 -9.324 5.492 3.156 440 HB2 ARG 58 2HB ARG 58 -11.484 3.912 3.124 441 HB3 ARG 58 3HB ARG 58 -12.107 5.133 4.227 442 HG2 ARG 58 2HG ARG 58 -10.983 5.621 1.420 443 HG3 ARG 58 3HG ARG 58 -12.698 5.523 1.853 444 HD2 ARG 58 2HD ARG 58 -12.339 7.438 3.439 445 HD3 ARG 58 3HD ARG 58 -10.703 7.628 2.753 446 HE ARG 58 HE ARG 58 -12.445 7.634 0.591 447 HH11 ARG 58 2HH2 ARG 58 -11.979 9.504 3.531 448 HH12 ARG 58 1HH2 ARG 58 -12.657 10.979 2.935 449 HH21 ARG 58 2HH1 ARG 58 -13.374 9.602 -0.285 450 HH22 ARG 58 1HH1 ARG 58 -13.467 11.028 0.681 451 H VAL 59 H VAL 59 -8.121 5.401 5.827 452 HA VAL 59 HA VAL 59 -9.158 8.034 6.732 453 HB VAL 59 HB VAL 59 -8.837 7.533 8.922 454 HG11 VAL 59 1HG1 VAL 59 -10.769 6.318 7.825 455 HG12 VAL 59 2HG1 VAL 59 -9.742 4.857 7.873 456 HG13 VAL 59 3HG1 VAL 59 -10.256 5.634 9.391 457 HG21 VAL 59 3HG2 VAL 59 -6.704 6.525 9.040 458 HG22 VAL 59 1HG2 VAL 59 -7.830 5.426 9.839 459 HG23 VAL 59 2HG2 VAL 59 -7.262 5.052 8.194 460 H ASP 60 H ASP 60 -7.509 9.455 7.619 461 HA ASP 60 HA ASP 60 -5.043 9.219 6.222 462 HB2 ASP 60 2HB ASP 60 -5.636 10.993 8.630 463 HB3 ASP 60 3HB ASP 60 -4.490 11.254 7.339 464 H ILE 61 H ILE 61 -3.430 7.894 6.847 465 HA ILE 61 HA ILE 61 -3.469 6.193 8.877 466 HB ILE 61 HB ILE 61 -0.963 7.411 7.694 467 HG12 ILE 61 2HG1 ILE 61 -1.562 5.015 6.384 468 HG13 ILE 61 3HG1 ILE 61 -3.150 5.727 6.561 469 HG21 ILE 61 1HG2 ILE 61 -0.131 5.058 8.111 470 HG22 ILE 61 2HG2 ILE 61 -0.435 6.017 9.574 471 HG23 ILE 61 3HG2 ILE 61 -1.614 4.794 9.068 472 HD11 ILE 61 3HD1 ILE 61 -0.677 6.946 5.265 473 HD12 ILE 61 1HD1 ILE 61 -2.196 6.474 4.465 474 HD13 ILE 61 2HD1 ILE 61 -2.154 7.872 5.563 475 H GLU 62 H GLU 62 -2.413 9.537 9.050 476 HA GLU 62 HA GLU 62 -2.923 9.792 11.642 477 HB2 GLU 62 2HB GLU 62 -0.384 8.565 11.540 478 HB3 GLU 62 3HB GLU 62 0.009 10.276 11.743 479 HG2 GLU 62 2HG GLU 62 -1.691 10.388 13.590 480 HG3 GLU 62 3HG GLU 62 -1.967 8.654 13.405 481 H ALA 63 H ALA 63 -1.236 12.039 12.273 482 HA ALA 63 HA ALA 63 -2.099 13.975 10.249 483 HB1 ALA 63 1HB ALA 63 -2.092 14.536 12.679 484 HB2 ALA 63 2HB ALA 63 -0.327 14.306 12.715 485 HB3 ALA 63 3HB ALA 63 -1.038 15.618 11.753 486 H GLN 64 H GLN 64 -0.207 15.635 9.695 487 HA GLN 64 HA GLN 64 1.774 14.252 8.093 488 HB2 GLN 64 2HB GLN 64 1.395 17.147 8.974 489 HB3 GLN 64 3HB GLN 64 2.684 16.635 7.873 490 HG2 GLN 64 2HG GLN 64 1.205 16.116 6.133 491 HG3 GLN 64 3HG GLN 64 -0.164 15.864 7.215 492 HE21 GLN 64 1HE2 GLN 64 2.105 18.643 6.467 493 HE22 GLN 64 2HE2 GLN 64 0.775 19.787 6.383 494 H LEU 65 H LEU 65 3.887 13.976 8.533 495 HA LEU 65 HA LEU 65 5.976 14.247 9.521 496 HB2 LEU 65 2HB LEU 65 4.589 14.790 12.170 497 HB3 LEU 65 3HB LEU 65 6.311 14.686 11.910 498 HG LEU 65 HG LEU 65 4.651 16.743 10.395 499 HD11 LEU 65 1HD1 LEU 65 6.023 17.057 13.096 500 HD12 LEU 65 2HD1 LEU 65 5.294 18.364 12.129 501 HD13 LEU 65 3HD1 LEU 65 4.269 17.082 12.796 502 HD21 LEU 65 3HD2 LEU 65 6.803 17.907 10.238 503 HD22 LEU 65 1HD2 LEU 65 7.598 16.606 11.148 504 HD23 LEU 65 2HD2 LEU 65 6.924 16.288 9.532 505 HA PRO 66 HA PRO 66 4.634 9.947 10.546 506 HB2 PRO 66 2HB PRO 66 5.729 8.606 8.441 507 HB3 PRO 66 3HB PRO 66 4.210 9.539 8.261 508 HG2 PRO 66 2HG PRO 66 7.037 10.463 7.624 509 HG3 PRO 66 3HG PRO 66 5.597 10.514 6.553 510 HD2 PRO 66 2HD PRO 66 6.372 12.671 8.036 511 HD3 PRO 66 3HD PRO 66 4.638 12.288 7.774 512 H SER 67 H SER 67 6.138 7.951 10.757 513 HA SER 67 HA SER 67 8.927 8.707 11.448 514 HB2 SER 67 2HB SER 67 7.646 9.169 13.452 515 HB3 SER 67 3HB SER 67 6.765 7.639 13.309 516 HG SER 67 HG SER 67 8.678 6.538 13.670 517 H GLU 68 H GLU 68 9.358 7.337 9.502 518 HA GLU 68 HA GLU 68 9.461 4.519 10.205 519 HB2 GLU 68 2HB GLU 68 8.313 3.770 8.183 520 HB3 GLU 68 3HB GLU 68 7.219 4.745 9.168 521 HG2 GLU 68 2HG GLU 68 7.769 6.735 7.679 522 HG3 GLU 68 3HG GLU 68 8.683 5.631 6.641 523 H SER 69 H SER 69 10.713 3.352 8.509 524 HA SER 69 HA SER 69 12.655 3.030 7.413 525 HB2 SER 69 2HB SER 69 12.712 5.957 6.625 526 HB3 SER 69 3HB SER 69 13.641 4.621 5.932 527 HG SER 69 HG SER 69 10.830 4.982 5.896 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -18.380 -12.252 1.542 2 H2 MET 1 H2 MET 1 -19.132 -10.803 1.770 3 H3 MET 1 H3 MET 1 -17.538 -10.853 1.344 4 HA MET 1 HA MET 1 -17.732 -10.304 3.638 5 HB2 MET 1 2HB MET 1 -19.416 -12.803 3.657 6 HB3 MET 1 3HB MET 1 -18.524 -12.326 5.120 7 HG2 MET 1 2HG MET 1 -19.590 -10.231 5.266 8 HG3 MET 1 3HG MET 1 -20.233 -10.328 3.624 9 HE1 MET 1 3HE MET 1 -22.243 -9.283 4.886 10 HE2 MET 1 1HE MET 1 -23.416 -10.213 5.848 11 HE3 MET 1 2HE MET 1 -21.889 -9.676 6.585 12 H LYS 2 H LYS 2 -17.276 -13.899 3.797 13 HA LYS 2 HA LYS 2 -14.434 -13.494 3.192 14 HB2 LYS 2 2HB LYS 2 -15.245 -13.430 5.840 15 HB3 LYS 2 3HB LYS 2 -15.097 -15.155 5.590 16 HG2 LYS 2 2HG LYS 2 -13.000 -14.667 6.333 17 HG3 LYS 2 3HG LYS 2 -12.703 -14.556 4.601 18 HD2 LYS 2 2HD LYS 2 -13.512 -12.078 6.160 19 HD3 LYS 2 3HD LYS 2 -11.886 -12.692 6.363 20 HE2 LYS 2 2HE LYS 2 -13.041 -12.034 3.624 21 HE3 LYS 2 3HE LYS 2 -12.233 -10.845 4.644 22 HZ1 LYS 2 3HZ LYS 2 -10.251 -12.208 4.637 23 HZ2 LYS 2 1HZ LYS 2 -10.961 -13.329 3.669 24 HZ3 LYS 2 2HZ LYS 2 -10.670 -11.812 3.111 25 H GLN 3 H GLN 3 -13.608 -15.366 2.221 26 HA GLN 3 HA GLN 3 -14.918 -17.912 2.380 27 HB2 GLN 3 2HB GLN 3 -15.387 -18.108 -0.026 28 HB3 GLN 3 3HB GLN 3 -16.333 -16.815 0.702 29 HG2 GLN 3 2HG GLN 3 -14.222 -15.335 -0.157 30 HG3 GLN 3 3HG GLN 3 -14.104 -16.667 -1.308 31 HE21 GLN 3 1HE2 GLN 3 -14.658 -13.972 -2.094 32 HE22 GLN 3 2HE2 GLN 3 -16.317 -13.947 -2.682 33 H ASP 4 H ASP 4 -13.356 -19.512 1.604 34 HA ASP 4 HA ASP 4 -11.273 -20.286 1.961 35 HB2 ASP 4 2HB ASP 4 -11.183 -18.885 -0.725 36 HB3 ASP 4 3HB ASP 4 -10.099 -20.186 -0.205 37 H GLY 5 H GLY 5 -10.268 -19.298 3.757 38 HA2 GLY 5 2HA GLY 5 -8.511 -16.953 3.121 39 HA3 GLY 5 3HA GLY 5 -9.613 -16.941 4.498 40 H GLU 6 H GLU 6 -9.278 -18.901 6.093 41 HA GLU 6 HA GLU 6 -7.929 -19.603 7.739 42 HB2 GLU 6 2HB GLU 6 -6.880 -20.844 5.206 43 HB3 GLU 6 3HB GLU 6 -6.078 -21.198 6.740 44 HG2 GLU 6 2HG GLU 6 -7.854 -22.844 6.192 45 HG3 GLU 6 3HG GLU 6 -8.074 -22.033 7.742 46 H GLU 7 H GLU 7 -7.404 -17.148 7.954 47 HA GLU 7 HA GLU 7 -4.533 -17.086 8.522 48 HB2 GLU 7 2HB GLU 7 -5.288 -15.874 6.181 49 HB3 GLU 7 3HB GLU 7 -5.639 -14.579 7.321 50 HG2 GLU 7 2HG GLU 7 -3.418 -14.158 6.709 51 HG3 GLU 7 3HG GLU 7 -3.226 -15.002 8.240 52 H GLY 8 H GLY 8 -4.180 -14.941 9.845 53 HA2 GLY 8 2HA GLY 8 -6.542 -14.374 11.583 54 HA3 GLY 8 3HA GLY 8 -4.921 -14.670 12.243 55 H THR 9 H THR 9 -5.669 -12.316 13.089 56 HA THR 9 HA THR 9 -5.381 -10.140 11.188 57 HB THR 9 HB THR 9 -5.448 -8.826 13.282 58 HG1 THR 9 1HG THR 9 -4.521 -10.569 14.573 59 HG21 THR 9 1HG2 THR 9 -7.543 -9.495 12.086 60 HG22 THR 9 2HG2 THR 9 -7.645 -10.941 13.118 61 HG23 THR 9 3HG2 THR 9 -7.776 -9.326 13.838 62 H GLU 10 H GLU 10 -3.420 -9.156 10.601 63 HA GLU 10 HA GLU 10 -1.105 -9.464 12.378 64 HB2 GLU 10 2HB GLU 10 -1.469 -10.680 9.661 65 HB3 GLU 10 3HB GLU 10 0.029 -9.785 9.862 66 HG2 GLU 10 2HG GLU 10 -0.918 -12.021 11.700 67 HG3 GLU 10 3HG GLU 10 0.288 -12.177 10.417 68 H GLU 11 H GLU 11 0.655 -7.981 11.664 69 HA GLU 11 HA GLU 11 -0.540 -5.362 11.153 70 HB2 GLU 11 2HB GLU 11 1.208 -5.955 12.902 71 HB3 GLU 11 3HB GLU 11 2.399 -6.018 11.598 72 HG2 GLU 11 2HG GLU 11 2.052 -3.642 11.111 73 HG3 GLU 11 3HG GLU 11 0.635 -3.591 12.166 74 H ASP 12 H ASP 12 0.210 -7.665 8.988 75 HA ASP 12 HA ASP 12 0.768 -5.750 6.812 76 HB2 ASP 12 2HB ASP 12 2.472 -8.187 7.540 77 HB3 ASP 12 3HB ASP 12 2.383 -7.551 5.893 78 H THR 13 H THR 13 -1.569 -6.232 6.738 79 HA THR 13 HA THR 13 -2.297 -8.952 5.839 80 HB THR 13 HB THR 13 -3.847 -7.749 7.239 81 HG1 THR 13 1HG THR 13 -4.738 -8.137 4.583 82 HG21 THR 13 1HG2 THR 13 -3.418 -5.467 6.666 83 HG22 THR 13 2HG2 THR 13 -3.919 -5.711 4.990 84 HG23 THR 13 3HG2 THR 13 -5.121 -5.816 6.294 85 H GLU 14 H GLU 14 -0.368 -8.328 4.142 86 HA GLU 14 HA GLU 14 -1.184 -6.762 1.890 87 HB2 GLU 14 2HB GLU 14 0.770 -7.242 0.964 88 HB3 GLU 14 3HB GLU 14 1.179 -7.886 2.544 89 HG2 GLU 14 2HG GLU 14 2.007 -9.411 1.003 90 HG3 GLU 14 3HG GLU 14 0.591 -10.196 1.661 91 H GLU 15 H GLU 15 -2.874 -7.178 0.556 92 HA GLU 15 HA GLU 15 -3.042 -9.862 -0.492 93 HB2 GLU 15 2HB GLU 15 -5.174 -8.714 1.232 94 HB3 GLU 15 3HB GLU 15 -5.758 -9.280 -0.333 95 HG2 GLU 15 2HG GLU 15 -4.601 -11.467 0.063 96 HG3 GLU 15 3HG GLU 15 -4.319 -10.959 1.737 97 H LYS 16 H LYS 16 -1.969 -8.734 -2.154 98 HA LYS 16 HA LYS 16 -1.989 -8.191 -4.368 99 HB2 LYS 16 2HB LYS 16 -5.012 -7.870 -4.347 100 HB3 LYS 16 3HB LYS 16 -3.949 -8.102 -5.709 101 HG2 LYS 16 2HG LYS 16 -4.975 -10.173 -5.461 102 HG3 LYS 16 3HG LYS 16 -3.388 -10.436 -4.706 103 HD2 LYS 16 2HD LYS 16 -4.271 -10.452 -2.568 104 HD3 LYS 16 3HD LYS 16 -5.719 -9.528 -3.049 105 HE2 LYS 16 2HE LYS 16 -6.389 -11.614 -4.399 106 HE3 LYS 16 3HE LYS 16 -5.101 -12.464 -3.519 107 HZ1 LYS 16 3HZ LYS 16 -6.236 -11.803 -1.445 108 HZ2 LYS 16 1HZ LYS 16 -7.428 -11.108 -2.271 109 HZ3 LYS 16 2HZ LYS 16 -7.195 -12.730 -2.360 110 H CYS 17 H CYS 17 -1.253 -6.312 -5.034 111 HA CYS 17 HA CYS 17 -1.676 -3.942 -3.566 112 HB2 CYS 17 2HB CYS 17 0.357 -4.407 -4.761 113 HB3 CYS 17 3HB CYS 17 -0.501 -4.298 -6.299 114 H THR 18 H THR 18 -2.798 -2.165 -3.983 115 HA THR 18 HA THR 18 -5.113 -2.443 -5.866 116 HB THR 18 HB THR 18 -5.166 -2.762 -3.162 117 HG1 THR 18 1HG THR 18 -6.747 -3.446 -4.501 118 HG21 THR 18 1HG2 THR 18 -6.255 -0.001 -3.767 119 HG22 THR 18 2HG2 THR 18 -6.441 -0.898 -2.243 120 HG23 THR 18 3HG2 THR 18 -4.825 -0.367 -2.762 121 H ILE 19 H ILE 19 -2.588 -0.328 -4.635 122 HA ILE 19 HA ILE 19 -3.722 2.063 -5.777 123 HB ILE 19 HB ILE 19 -0.962 1.139 -4.845 124 HG12 ILE 19 2HG1 ILE 19 -1.608 3.266 -3.342 125 HG13 ILE 19 3HG1 ILE 19 -3.243 2.784 -3.709 126 HG21 ILE 19 1HG2 ILE 19 -0.167 3.428 -5.088 127 HG22 ILE 19 2HG2 ILE 19 -0.563 2.724 -6.648 128 HG23 ILE 19 3HG2 ILE 19 -1.692 3.884 -5.898 129 HD11 ILE 19 3HD1 ILE 19 -2.115 1.949 -1.572 130 HD12 ILE 19 1HD1 ILE 19 -2.906 0.702 -2.564 131 HD13 ILE 19 2HD1 ILE 19 -1.130 0.893 -2.599 132 H CYS 20 H CYS 20 -1.658 -0.631 -6.881 133 HA CYS 20 HA CYS 20 -1.536 0.612 -9.620 134 HB2 CYS 20 2HB CYS 20 -0.111 -1.399 -10.060 135 HB3 CYS 20 3HB CYS 20 0.558 -0.165 -8.981 136 H LEU 21 H LEU 21 -3.924 -0.680 -8.050 137 HA LEU 21 HA LEU 21 -5.629 -2.248 -8.478 138 HB2 LEU 21 2HB LEU 21 -5.210 -0.461 -10.763 139 HB3 LEU 21 3HB LEU 21 -6.323 -1.806 -10.961 140 HG LEU 21 HG LEU 21 -6.946 -0.756 -8.405 141 HD11 LEU 21 1HD1 LEU 21 -5.779 1.302 -8.963 142 HD12 LEU 21 2HD1 LEU 21 -6.710 1.454 -10.477 143 HD13 LEU 21 3HD1 LEU 21 -7.531 1.564 -8.900 144 HD21 LEU 21 3HD2 LEU 21 -8.335 -0.485 -11.090 145 HD22 LEU 21 1HD2 LEU 21 -8.410 -1.880 -9.981 146 HD23 LEU 21 2HD2 LEU 21 -9.095 -0.316 -9.487 147 H SER 22 H SER 22 -3.222 -3.708 -8.446 148 HA SER 22 HA SER 22 -4.077 -5.957 -10.052 149 HB2 SER 22 2HB SER 22 -2.830 -4.501 -11.722 150 HB3 SER 22 3HB SER 22 -1.368 -4.751 -10.743 151 HG SER 22 HG SER 22 -1.583 -6.283 -12.437 152 H ILE 23 H ILE 23 -2.479 -7.824 -9.770 153 HA ILE 23 HA ILE 23 -1.984 -8.214 -6.981 154 HB ILE 23 HB ILE 23 -0.780 -10.277 -8.024 155 HG12 ILE 23 2HG1 ILE 23 -0.932 -8.939 -10.381 156 HG13 ILE 23 3HG1 ILE 23 -0.784 -10.647 -10.162 157 HG21 ILE 23 1HG2 ILE 23 -2.953 -11.399 -8.247 158 HG22 ILE 23 2HG2 ILE 23 -2.845 -10.362 -6.834 159 HG23 ILE 23 3HG2 ILE 23 -3.766 -9.804 -8.238 160 HD11 ILE 23 3HD1 ILE 23 -3.123 -11.047 -10.442 161 HD12 ILE 23 1HD1 ILE 23 -3.479 -9.306 -10.487 162 HD13 ILE 23 2HD1 ILE 23 -2.549 -10.062 -11.799 163 H LEU 24 H LEU 24 0.046 -8.524 -5.925 164 HA LEU 24 HA LEU 24 2.102 -6.715 -6.723 165 HB2 LEU 24 2HB LEU 24 1.741 -8.899 -4.647 166 HB3 LEU 24 3HB LEU 24 3.347 -8.316 -4.977 167 HG LEU 24 HG LEU 24 1.014 -6.599 -4.116 168 HD11 LEU 24 1HD1 LEU 24 2.217 -6.384 -1.977 169 HD12 LEU 24 2HD1 LEU 24 1.901 -8.092 -2.329 170 HD13 LEU 24 3HD1 LEU 24 3.525 -7.424 -2.591 171 HD21 LEU 24 3HD2 LEU 24 2.503 -5.193 -5.397 172 HD22 LEU 24 1HD2 LEU 24 2.801 -4.857 -3.695 173 HD23 LEU 24 2HD2 LEU 24 3.934 -5.887 -4.597 174 H GLU 25 H GLU 25 4.304 -7.373 -7.031 175 HA GLU 25 HA GLU 25 4.575 -9.642 -8.922 176 HB2 GLU 25 2HB GLU 25 6.129 -8.084 -10.222 177 HB3 GLU 25 3HB GLU 25 4.370 -7.932 -10.428 178 HG2 GLU 25 2HG GLU 25 4.373 -6.097 -8.751 179 HG3 GLU 25 3HG GLU 25 6.143 -6.166 -8.715 180 H GLU 26 H GLU 26 5.477 -10.847 -7.368 181 HA GLU 26 HA GLU 26 7.054 -11.782 -6.121 182 HB2 GLU 26 2HB GLU 26 8.569 -10.659 -8.039 183 HB3 GLU 26 3HB GLU 26 9.217 -9.786 -6.638 184 HG2 GLU 26 2HG GLU 26 9.671 -11.943 -5.508 185 HG3 GLU 26 3HG GLU 26 8.902 -12.819 -6.834 186 H GLY 27 H GLY 27 8.367 -11.481 -4.102 187 HA2 GLY 27 2HA GLY 27 7.122 -9.388 -2.398 188 HA3 GLY 27 3HA GLY 27 8.008 -10.831 -1.853 189 H GLU 28 H GLU 28 8.542 -7.965 -3.999 190 HA GLU 28 HA GLU 28 11.371 -7.953 -3.499 191 HB2 GLU 28 2HB GLU 28 9.721 -6.927 -5.441 192 HB3 GLU 28 3HB GLU 28 10.004 -5.470 -4.480 193 HG2 GLU 28 2HG GLU 28 12.506 -5.949 -4.680 194 HG3 GLU 28 3HG GLU 28 12.114 -7.352 -5.669 195 H ASP 29 H ASP 29 11.718 -5.182 -3.154 196 HA ASP 29 HA ASP 29 11.499 -4.949 -0.207 197 HB2 ASP 29 2HB ASP 29 12.946 -3.389 -2.358 198 HB3 ASP 29 3HB ASP 29 12.557 -2.615 -0.814 199 H VAL 30 H VAL 30 9.265 -4.963 -0.113 200 HA VAL 30 HA VAL 30 7.766 -2.739 -1.370 201 HB VAL 30 HB VAL 30 5.812 -3.981 -0.369 202 HG11 VAL 30 1HG1 VAL 30 5.638 -5.391 -2.138 203 HG12 VAL 30 2HG1 VAL 30 6.818 -4.185 -2.692 204 HG13 VAL 30 3HG1 VAL 30 7.382 -5.781 -2.162 205 HG21 VAL 30 3HG2 VAL 30 7.756 -6.224 0.158 206 HG22 VAL 30 1HG2 VAL 30 7.031 -5.191 1.420 207 HG23 VAL 30 2HG2 VAL 30 6.005 -6.214 0.388 208 H ARG 31 H ARG 31 5.748 -2.193 0.505 209 HA ARG 31 HA ARG 31 7.070 -1.400 2.917 210 HB2 ARG 31 2HB ARG 31 7.813 0.194 0.961 211 HB3 ARG 31 3HB ARG 31 6.196 0.860 1.177 212 HG2 ARG 31 2HG ARG 31 8.454 0.691 3.221 213 HG3 ARG 31 3HG ARG 31 7.843 2.154 2.425 214 HD2 ARG 31 2HD ARG 31 5.564 1.565 3.431 215 HD3 ARG 31 3HD ARG 31 6.414 0.384 4.427 216 HE ARG 31 HE ARG 31 6.386 3.262 4.721 217 HH11 ARG 31 2HH2 ARG 31 8.165 0.317 5.503 218 HH12 ARG 31 1HH2 ARG 31 8.860 0.917 6.966 219 HH21 ARG 31 2HH1 ARG 31 7.357 4.124 6.649 220 HH22 ARG 31 1HH1 ARG 31 8.397 3.147 7.618 221 H ARG 32 H ARG 32 5.475 -1.492 4.429 222 HA ARG 32 HA ARG 32 2.678 -1.334 3.584 223 HB2 ARG 32 2HB ARG 32 2.249 -2.187 5.910 224 HB3 ARG 32 3HB ARG 32 3.174 -3.302 4.926 225 HG2 ARG 32 2HG ARG 32 4.619 -1.433 6.829 226 HG3 ARG 32 3HG ARG 32 3.800 -2.867 7.422 227 HD2 ARG 32 2HD ARG 32 5.133 -4.233 5.713 228 HD3 ARG 32 3HD ARG 32 6.116 -2.802 5.451 229 HE ARG 32 HE ARG 32 5.829 -3.506 8.233 230 HH11 ARG 32 2HH2 ARG 32 7.366 -4.672 5.329 231 HH12 ARG 32 1HH2 ARG 32 8.868 -5.129 6.053 232 HH21 ARG 32 2HH1 ARG 32 7.834 -4.067 9.297 233 HH22 ARG 32 1HH1 ARG 32 9.115 -4.817 8.408 234 H LEU 33 H LEU 33 1.166 0.215 4.573 235 HA LEU 33 HA LEU 33 2.486 2.611 5.475 236 HB2 LEU 33 2HB LEU 33 -0.373 1.992 6.141 237 HB3 LEU 33 3HB LEU 33 0.357 3.488 5.629 238 HG LEU 33 HG LEU 33 -1.049 2.927 3.975 239 HD11 LEU 33 1HD1 LEU 33 0.148 2.630 1.956 240 HD12 LEU 33 2HD1 LEU 33 1.215 3.474 3.099 241 HD13 LEU 33 3HD1 LEU 33 1.433 1.737 2.779 242 HD21 LEU 33 3HD2 LEU 33 -1.358 0.503 4.731 243 HD22 LEU 33 1HD2 LEU 33 -1.766 1.014 3.088 244 HD23 LEU 33 2HD2 LEU 33 -0.265 0.140 3.370 245 HA PRO 34 HA PRO 34 2.810 1.265 9.737 246 HB2 PRO 34 2HB PRO 34 2.455 3.620 11.144 247 HB3 PRO 34 3HB PRO 34 3.940 3.179 10.252 248 HG2 PRO 34 2HG PRO 34 1.674 4.952 9.349 249 HG3 PRO 34 3HG PRO 34 3.433 5.233 9.186 250 HD2 PRO 34 2HD PRO 34 1.910 4.261 7.131 251 HD3 PRO 34 3HD PRO 34 3.603 3.738 7.375 252 H CYS 35 H CYS 35 -0.064 2.066 8.322 253 HA CYS 35 HA CYS 35 -2.105 1.885 10.356 254 HB2 CYS 35 2HB CYS 35 -2.529 2.641 8.116 255 HB3 CYS 35 3HB CYS 35 -1.879 1.123 7.473 256 H MET 36 H MET 36 -0.628 -0.664 8.251 257 HA MET 36 HA MET 36 -0.568 -2.948 9.550 258 HB2 MET 36 2HB MET 36 -2.494 -2.795 10.888 259 HB3 MET 36 3HB MET 36 -3.478 -2.089 9.590 260 HG2 MET 36 2HG MET 36 -3.574 -4.207 8.445 261 HG3 MET 36 3HG MET 36 -2.464 -4.944 9.610 262 HE1 MET 36 3HE MET 36 -5.954 -6.709 10.067 263 HE2 MET 36 1HE MET 36 -5.521 -5.885 8.554 264 HE3 MET 36 2HE MET 36 -4.300 -6.836 9.425 265 H HIS 37 H HIS 37 -2.543 -1.442 6.974 266 HA HIS 37 HA HIS 37 -2.453 -3.884 5.371 267 HB2 HIS 37 1HB HIS 37 -2.984 -1.079 4.391 268 HB3 HIS 37 2HB HIS 37 -3.411 -2.566 3.605 269 HD2 HIS 37 2HD HIS 37 -5.418 -4.062 4.658 270 HE1 HIS 37 1HE HIS 37 -7.361 -0.756 6.584 271 HE2 HIS 37 2HE HIS 37 -7.620 -3.241 5.823 272 H LEU 38 H LEU 38 -1.115 -4.326 3.587 273 HA LEU 38 HA LEU 38 1.423 -2.784 3.543 274 HB2 LEU 38 2HB LEU 38 1.696 -5.007 4.316 275 HB3 LEU 38 3HB LEU 38 0.903 -5.669 2.880 276 HG LEU 38 HG LEU 38 3.370 -3.979 2.595 277 HD11 LEU 38 1HD1 LEU 38 4.806 -5.990 2.821 278 HD12 LEU 38 2HD1 LEU 38 3.993 -5.575 4.336 279 HD13 LEU 38 3HD1 LEU 38 3.391 -6.921 3.367 280 HD21 LEU 38 3HD2 LEU 38 2.908 -6.562 1.098 281 HD22 LEU 38 1HD2 LEU 38 1.994 -5.146 0.589 282 HD23 LEU 38 2HD2 LEU 38 3.766 -5.111 0.588 283 H PHE 39 H PHE 39 2.499 -2.431 1.493 284 HA PHE 39 HA PHE 39 1.053 -3.178 -0.921 285 HB2 PHE 39 2HB PHE 39 1.402 -0.270 -0.102 286 HB3 PHE 39 3HB PHE 39 1.246 -0.723 -1.787 287 HD1 PHE 39 1HD PHE 39 -0.674 -2.388 -2.378 288 HD2 PHE 39 2HD PHE 39 -0.617 0.088 1.125 289 HE1 PHE 39 1HE PHE 39 -3.143 -2.727 -2.095 290 HE2 PHE 39 2HE PHE 39 -3.065 -0.235 1.396 291 HZ PHE 39 HZ PHE 39 -4.337 -1.549 -0.339 292 H HIS 40 H HIS 40 2.339 -2.133 -2.820 293 HA HIS 40 HA HIS 40 5.079 -3.031 -2.886 294 HB2 HIS 40 1HB HIS 40 3.234 -1.371 -4.514 295 HB3 HIS 40 2HB HIS 40 4.944 -1.053 -4.786 296 HD2 HIS 40 2HD HIS 40 6.257 -3.752 -5.331 297 HE1 HIS 40 1HE HIS 40 3.341 -3.847 -8.429 298 HE2 HIS 40 2HE HIS 40 5.595 -4.677 -7.689 299 H GLN 41 H GLN 41 6.993 -1.693 -2.775 300 HA GLN 41 HA GLN 41 6.767 0.533 -0.963 301 HB2 GLN 41 2HB GLN 41 8.785 -0.818 -0.967 302 HB3 GLN 41 3HB GLN 41 9.097 -0.482 -2.676 303 HG2 GLN 41 2HG GLN 41 9.638 1.816 -2.200 304 HG3 GLN 41 3HG GLN 41 8.995 1.709 -0.557 305 HE21 GLN 41 1HE2 GLN 41 10.203 -0.580 0.558 306 HE22 GLN 41 2HE2 GLN 41 11.933 -0.309 0.488 307 H VAL 42 H VAL 42 7.814 0.394 -4.385 308 HA VAL 42 HA VAL 42 7.881 3.192 -4.674 309 HB VAL 42 HB VAL 42 8.493 1.060 -6.235 310 HG11 VAL 42 1HG1 VAL 42 6.182 0.751 -7.082 311 HG12 VAL 42 2HG1 VAL 42 6.238 2.395 -7.770 312 HG13 VAL 42 3HG1 VAL 42 7.343 1.145 -8.358 313 HG21 VAL 42 3HG2 VAL 42 9.578 3.253 -6.277 314 HG22 VAL 42 1HG2 VAL 42 9.211 2.720 -7.927 315 HG23 VAL 42 2HG2 VAL 42 8.188 3.949 -7.142 316 H CYS 43 H CYS 43 5.166 1.110 -4.441 317 HA CYS 43 HA CYS 43 3.193 3.017 -5.730 318 HB2 CYS 43 2HB CYS 43 2.933 0.582 -3.996 319 HB3 CYS 43 3HB CYS 43 1.610 1.571 -4.551 320 H VAL 44 H VAL 44 4.423 2.117 -2.393 321 HA VAL 44 HA VAL 44 2.341 3.432 -1.043 322 HB VAL 44 HB VAL 44 4.502 1.846 -0.397 323 HG11 VAL 44 1HG1 VAL 44 6.102 3.708 -0.417 324 HG12 VAL 44 2HG1 VAL 44 5.137 4.572 0.806 325 HG13 VAL 44 3HG1 VAL 44 5.907 3.040 1.208 326 HG21 VAL 44 3HG2 VAL 44 3.742 2.119 1.911 327 HG22 VAL 44 1HG2 VAL 44 2.854 3.593 1.431 328 HG23 VAL 44 2HG2 VAL 44 2.404 2.001 0.752 329 H ASP 45 H ASP 45 5.163 4.476 -2.672 330 HA ASP 45 HA ASP 45 5.392 7.124 -1.432 331 HB2 ASP 45 2HB ASP 45 7.378 6.099 -2.427 332 HB3 ASP 45 3HB ASP 45 6.575 5.935 -3.989 333 H GLN 46 H GLN 46 4.668 6.349 -4.898 334 HA GLN 46 HA GLN 46 3.494 8.849 -5.366 335 HB2 GLN 46 2HB GLN 46 2.889 6.194 -6.745 336 HB3 GLN 46 3HB GLN 46 2.341 7.782 -7.300 337 HG2 GLN 46 2HG GLN 46 4.929 8.400 -7.095 338 HG3 GLN 46 3HG GLN 46 5.141 6.652 -7.248 339 HE21 GLN 46 1HE2 GLN 46 5.518 6.074 -9.428 340 HE22 GLN 46 2HE2 GLN 46 4.780 6.940 -10.773 341 H TRP 47 H TRP 47 2.067 6.046 -3.802 342 HA TRP 47 HA TRP 47 -0.635 6.928 -3.946 343 HB2 TRP 47 2HB TRP 47 0.056 4.644 -3.210 344 HB3 TRP 47 3HB TRP 47 0.689 5.323 -1.716 345 HD1 TRP 47 HD1 TRP 47 -0.997 4.932 0.173 346 HE1 TRP 47 HE1 TRP 47 -3.586 5.007 0.419 347 HE3 TRP 47 HE3 TRP 47 -2.360 6.053 -4.664 348 HZ2 TRP 47 HZ2 TRP 47 -5.805 5.116 -1.224 349 HZ3 TRP 47 HZ3 TRP 47 -4.720 6.324 -5.235 350 HH2 TRP 47 HH2 TRP 47 -6.503 5.792 -3.568 351 H LEU 48 H LEU 48 1.777 7.272 -1.296 352 HA LEU 48 HA LEU 48 0.286 8.977 0.307 353 HB2 LEU 48 2HB LEU 48 3.103 8.159 -0.026 354 HB3 LEU 48 3HB LEU 48 3.006 9.777 0.554 355 HG LEU 48 HG LEU 48 1.492 7.421 1.766 356 HD11 LEU 48 1HD1 LEU 48 3.196 7.449 3.551 357 HD12 LEU 48 2HD1 LEU 48 3.923 7.109 1.968 358 HD13 LEU 48 3HD1 LEU 48 4.086 8.726 2.688 359 HD21 LEU 48 3HD2 LEU 48 0.476 9.637 2.314 360 HD22 LEU 48 1HD2 LEU 48 1.207 8.891 3.738 361 HD23 LEU 48 2HD2 LEU 48 2.051 10.207 2.892 362 H ILE 49 H ILE 49 2.183 9.799 -2.610 363 HA ILE 49 HA ILE 49 1.969 12.617 -2.354 364 HB ILE 49 HB ILE 49 2.302 10.834 -4.766 365 HG12 ILE 49 2HG1 ILE 49 4.080 10.606 -3.030 366 HG13 ILE 49 3HG1 ILE 49 4.601 11.143 -4.612 367 HG21 ILE 49 1HG2 ILE 49 1.534 12.925 -5.589 368 HG22 ILE 49 2HG2 ILE 49 2.605 13.822 -4.496 369 HG23 ILE 49 3HG2 ILE 49 3.286 12.857 -5.837 370 HD11 ILE 49 3HD1 ILE 49 4.766 13.431 -3.842 371 HD12 ILE 49 1HD1 ILE 49 4.095 12.969 -2.254 372 HD13 ILE 49 2HD1 ILE 49 5.685 12.358 -2.764 373 H THR 50 H THR 50 -0.295 10.143 -3.798 374 HA THR 50 HA THR 50 -2.080 12.250 -4.727 375 HB THR 50 HB THR 50 -1.421 9.450 -5.293 376 HG1 THR 50 1HG THR 50 -2.827 11.384 -6.793 377 HG21 THR 50 1HG2 THR 50 -3.660 8.921 -6.245 378 HG22 THR 50 2HG2 THR 50 -3.496 8.786 -4.497 379 HG23 THR 50 3HG2 THR 50 -4.335 10.205 -5.198 380 H ASN 51 H ASN 51 -2.602 9.293 -2.692 381 HA ASN 51 HA ASN 51 -4.758 10.748 -1.268 382 HB2 ASN 51 2HB ASN 51 -4.216 7.941 -2.098 383 HB3 ASN 51 3HB ASN 51 -4.941 8.122 -0.507 384 HD21 ASN 51 1HD2 ASN 51 -7.077 7.540 -0.804 385 HD22 ASN 51 2HD2 ASN 51 -8.094 8.295 -2.030 386 H LYS 52 H LYS 52 -4.021 11.653 0.584 387 HA LYS 52 HA LYS 52 -1.878 10.489 2.155 388 HB2 LYS 52 2HB LYS 52 -2.258 12.315 3.669 389 HB3 LYS 52 3HB LYS 52 -2.344 12.922 2.016 390 HG2 LYS 52 2HG LYS 52 -4.891 12.805 2.192 391 HG3 LYS 52 3HG LYS 52 -4.687 12.338 3.883 392 HD2 LYS 52 2HD LYS 52 -5.047 14.651 4.008 393 HD3 LYS 52 3HD LYS 52 -3.306 14.469 4.183 394 HE2 LYS 52 2HE LYS 52 -3.605 16.283 2.688 395 HE3 LYS 52 3HE LYS 52 -3.090 14.925 1.679 396 HZ1 LYS 52 3HZ LYS 52 -4.945 16.132 0.725 397 HZ2 LYS 52 1HZ LYS 52 -5.399 14.592 1.075 398 HZ3 LYS 52 2HZ LYS 52 -5.875 15.833 2.050 399 H LYS 53 H LYS 53 -4.427 8.738 1.718 400 HA LYS 53 HA LYS 53 -5.031 8.217 4.549 401 HB2 LYS 53 2HB LYS 53 -7.209 8.295 2.403 402 HB3 LYS 53 3HB LYS 53 -7.368 8.039 4.128 403 HG2 LYS 53 2HG LYS 53 -6.339 10.302 4.535 404 HG3 LYS 53 3HG LYS 53 -6.446 10.628 2.808 405 HD2 LYS 53 2HD LYS 53 -8.842 10.019 4.592 406 HD3 LYS 53 3HD LYS 53 -8.269 11.631 4.131 407 HE2 LYS 53 2HE LYS 53 -8.349 10.512 1.675 408 HE3 LYS 53 3HE LYS 53 -9.601 9.530 2.451 409 HZ1 LYS 53 3HZ LYS 53 -10.687 11.618 3.085 410 HZ2 LYS 53 1HZ LYS 53 -9.516 12.483 2.336 411 HZ3 LYS 53 2HZ LYS 53 -10.513 11.529 1.441 412 H CYS 54 H CYS 54 -5.965 6.072 4.816 413 HA CYS 54 HA CYS 54 -4.174 4.180 3.378 414 HB2 CYS 54 2HB CYS 54 -4.976 4.030 5.814 415 HB3 CYS 54 3HB CYS 54 -6.549 3.568 5.123 416 HA PRO 55 HA PRO 55 -7.153 3.778 0.090 417 HB2 PRO 55 2HB PRO 55 -6.294 1.569 -1.210 418 HB3 PRO 55 3HB PRO 55 -5.298 3.012 -1.188 419 HG2 PRO 55 2HG PRO 55 -5.063 0.626 0.613 420 HG3 PRO 55 3HG PRO 55 -3.782 1.462 -0.327 421 HD2 PRO 55 2HD PRO 55 -4.235 1.973 2.285 422 HD3 PRO 55 3HD PRO 55 -3.688 3.234 1.198 423 H ILE 56 H ILE 56 -6.459 1.059 2.326 424 HA ILE 56 HA ILE 56 -9.092 -0.120 1.768 425 HB ILE 56 HB ILE 56 -6.792 -1.105 3.410 426 HG12 ILE 56 2HG1 ILE 56 -7.948 -2.334 0.880 427 HG13 ILE 56 3HG1 ILE 56 -6.770 -1.024 0.748 428 HG21 ILE 56 1HG2 ILE 56 -8.961 -1.909 4.329 429 HG22 ILE 56 2HG2 ILE 56 -9.515 -2.317 2.703 430 HG23 ILE 56 3HG2 ILE 56 -8.193 -3.235 3.440 431 HD11 ILE 56 3HD1 ILE 56 -5.654 -3.203 0.716 432 HD12 ILE 56 1HD1 ILE 56 -5.179 -2.227 2.133 433 HD13 ILE 56 2HD1 ILE 56 -6.322 -3.576 2.318 434 H CYS 57 H CYS 57 -7.190 1.121 4.668 435 HA CYS 57 HA CYS 57 -9.480 0.849 6.457 436 HB2 CYS 57 2HB CYS 57 -7.522 3.034 6.884 437 HB3 CYS 57 3HB CYS 57 -8.448 2.098 8.016 438 H ARG 58 H ARG 58 -8.498 3.313 4.076 439 HA ARG 58 HA ARG 58 -9.487 5.128 3.232 440 HB2 ARG 58 2HB ARG 58 -11.485 3.313 3.557 441 HB3 ARG 58 3HB ARG 58 -12.124 4.595 4.578 442 HG2 ARG 58 2HG ARG 58 -11.293 4.851 1.645 443 HG3 ARG 58 3HG ARG 58 -12.947 4.650 2.245 444 HD2 ARG 58 2HD ARG 58 -12.677 6.764 3.553 445 HD3 ARG 58 3HD ARG 58 -11.115 7.024 2.735 446 HE ARG 58 HE ARG 58 -12.844 6.614 0.666 447 HH11 ARG 58 2HH2 ARG 58 -12.901 8.768 3.444 448 HH12 ARG 58 1HH2 ARG 58 -13.887 9.988 2.708 449 HH21 ARG 58 2HH1 ARG 58 -14.136 8.242 -0.389 450 HH22 ARG 58 1HH1 ARG 58 -14.563 9.692 0.435 451 H VAL 59 H VAL 59 -8.141 5.300 5.891 452 HA VAL 59 HA VAL 59 -9.331 7.901 6.665 453 HB VAL 59 HB VAL 59 -9.094 7.502 8.889 454 HG11 VAL 59 1HG1 VAL 59 -10.960 6.228 7.807 455 HG12 VAL 59 2HG1 VAL 59 -9.914 4.782 7.867 456 HG13 VAL 59 3HG1 VAL 59 -10.458 5.550 9.377 457 HG21 VAL 59 3HG2 VAL 59 -6.944 6.571 9.149 458 HG22 VAL 59 1HG2 VAL 59 -8.070 5.456 9.931 459 HG23 VAL 59 2HG2 VAL 59 -7.407 5.053 8.329 460 H ASP 60 H ASP 60 -7.757 9.416 7.578 461 HA ASP 60 HA ASP 60 -5.271 9.239 6.232 462 HB2 ASP 60 2HB ASP 60 -5.925 11.073 8.578 463 HB3 ASP 60 3HB ASP 60 -4.798 11.323 7.276 464 H ILE 61 H ILE 61 -3.619 8.003 6.875 465 HA ILE 61 HA ILE 61 -3.560 6.409 9.019 466 HB ILE 61 HB ILE 61 -1.150 7.572 7.612 467 HG12 ILE 61 2HG1 ILE 61 -1.793 5.081 6.504 468 HG13 ILE 61 3HG1 ILE 61 -3.374 5.800 6.716 469 HG21 ILE 61 1HG2 ILE 61 -0.200 5.330 8.123 470 HG22 ILE 61 2HG2 ILE 61 -0.555 6.288 9.578 471 HG23 ILE 61 3HG2 ILE 61 -1.653 4.973 9.098 472 HD11 ILE 61 3HD1 ILE 61 -2.540 6.394 4.526 473 HD12 ILE 61 1HD1 ILE 61 -2.446 7.867 5.516 474 HD13 ILE 61 2HD1 ILE 61 -0.982 6.926 5.202 475 H GLU 62 H GLU 62 -2.591 9.767 8.880 476 HA GLU 62 HA GLU 62 -2.980 10.307 11.436 477 HB2 GLU 62 2HB GLU 62 -0.388 9.083 11.340 478 HB3 GLU 62 3HB GLU 62 -0.076 10.808 11.477 479 HG2 GLU 62 2HG GLU 62 -1.937 10.809 13.291 480 HG3 GLU 62 3HG GLU 62 -1.766 9.052 13.288 481 H ALA 63 H ALA 63 -1.246 12.584 11.791 482 HA ALA 63 HA ALA 63 -2.058 14.323 9.574 483 HB1 ALA 63 1HB ALA 63 -1.977 15.153 11.927 484 HB2 ALA 63 2HB ALA 63 -0.227 14.829 11.967 485 HB3 ALA 63 3HB ALA 63 -0.879 16.059 10.864 486 H GLN 64 H GLN 64 -0.482 15.454 8.250 487 HA GLN 64 HA GLN 64 1.935 13.837 7.627 488 HB2 GLN 64 2HB GLN 64 0.546 16.101 6.114 489 HB3 GLN 64 3HB GLN 64 1.967 15.219 5.557 490 HG2 GLN 64 2HG GLN 64 0.056 14.313 4.429 491 HG3 GLN 64 3HG GLN 64 0.679 13.101 5.553 492 HE21 GLN 64 1HE2 GLN 64 -1.137 11.929 6.239 493 HE22 GLN 64 2HE2 GLN 64 -2.492 12.687 7.010 494 H LEU 65 H LEU 65 3.712 15.529 6.705 495 HA LEU 65 HA LEU 65 5.388 16.935 7.223 496 HB2 LEU 65 2HB LEU 65 3.186 18.594 8.483 497 HB3 LEU 65 3HB LEU 65 4.826 19.156 8.198 498 HG LEU 65 HG LEU 65 3.092 18.124 5.920 499 HD11 LEU 65 1HD1 LEU 65 1.867 19.936 7.020 500 HD12 LEU 65 2HD1 LEU 65 3.319 20.964 6.997 501 HD13 LEU 65 3HD1 LEU 65 2.528 20.496 5.473 502 HD21 LEU 65 3HD2 LEU 65 5.498 20.004 6.047 503 HD22 LEU 65 1HD2 LEU 65 5.514 18.332 5.455 504 HD23 LEU 65 2HD2 LEU 65 4.604 19.567 4.575 505 HA PRO 66 HA PRO 66 5.746 15.334 11.560 506 HB2 PRO 66 2HB PRO 66 7.736 13.513 11.195 507 HB3 PRO 66 3HB PRO 66 6.031 13.145 10.800 508 HG2 PRO 66 2HG PRO 66 8.199 14.089 8.891 509 HG3 PRO 66 3HG PRO 66 7.110 12.676 8.709 510 HD2 PRO 66 2HD PRO 66 6.555 15.078 7.558 511 HD3 PRO 66 3HD PRO 66 5.252 14.057 8.234 512 H SER 67 H SER 67 6.382 17.614 11.665 513 HA SER 67 HA SER 67 7.830 19.226 12.354 514 HB2 SER 67 2HB SER 67 8.224 17.490 14.057 515 HB3 SER 67 3HB SER 67 9.545 16.822 13.083 516 HG SER 67 HG SER 67 10.601 18.803 13.261 517 H GLU 68 H GLU 68 7.901 19.382 9.741 518 HA GLU 68 HA GLU 68 10.761 19.760 9.126 519 HB2 GLU 68 2HB GLU 68 10.440 18.951 6.866 520 HB3 GLU 68 3HB GLU 68 10.048 17.669 8.019 521 HG2 GLU 68 2HG GLU 68 7.604 18.239 7.752 522 HG3 GLU 68 3HG GLU 68 8.048 19.410 6.503 523 H SER 69 H SER 69 11.136 21.573 7.655 524 HA SER 69 HA SER 69 9.046 23.088 6.527 525 HB2 SER 69 2HB SER 69 9.633 25.166 7.934 526 HB3 SER 69 3HB SER 69 8.514 23.981 8.634 527 HG SER 69 HG SER 69 10.164 24.670 10.101 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -3.829 -28.117 -0.904 2 H2 MET 1 H2 MET 1 -4.670 -27.329 -2.079 3 H3 MET 1 H3 MET 1 -5.408 -27.871 -0.715 4 HA MET 1 HA MET 1 -5.959 -29.266 -2.590 5 HB2 MET 1 2HB MET 1 -2.966 -29.435 -2.800 6 HB3 MET 1 3HB MET 1 -3.939 -30.859 -3.213 7 HG2 MET 1 2HG MET 1 -3.567 -29.483 -5.201 8 HG3 MET 1 3HG MET 1 -5.274 -29.612 -4.785 9 HE1 MET 1 3HE MET 1 -6.838 -27.697 -4.782 10 HE2 MET 1 1HE MET 1 -6.296 -26.154 -5.477 11 HE3 MET 1 2HE MET 1 -5.991 -27.675 -6.348 12 H LYS 2 H LYS 2 -3.245 -30.528 -0.415 13 HA LYS 2 HA LYS 2 -5.368 -31.997 0.979 14 HB2 LYS 2 2HB LYS 2 -4.360 -33.323 -1.057 15 HB3 LYS 2 3HB LYS 2 -2.955 -33.557 -0.007 16 HG2 LYS 2 2HG LYS 2 -4.351 -34.650 1.678 17 HG3 LYS 2 3HG LYS 2 -5.824 -34.141 0.843 18 HD2 LYS 2 2HD LYS 2 -5.600 -36.415 0.354 19 HD3 LYS 2 3HD LYS 2 -5.129 -35.572 -1.128 20 HE2 LYS 2 2HE LYS 2 -2.772 -35.965 -0.678 21 HE3 LYS 2 3HE LYS 2 -3.130 -36.536 0.961 22 HZ1 LYS 2 3HZ LYS 2 -3.971 -37.897 -1.521 23 HZ2 LYS 2 1HZ LYS 2 -2.733 -38.367 -0.542 24 HZ3 LYS 2 2HZ LYS 2 -4.280 -38.414 0.011 25 H GLN 3 H GLN 3 -5.042 -31.090 2.855 26 HA GLN 3 HA GLN 3 -4.206 -30.155 4.678 27 HB2 GLN 3 2HB GLN 3 -1.659 -31.700 4.078 28 HB3 GLN 3 3HB GLN 3 -1.831 -30.574 5.417 29 HG2 GLN 3 2HG GLN 3 -2.243 -32.865 6.156 30 HG3 GLN 3 3HG GLN 3 -3.661 -31.843 6.376 31 HE21 GLN 3 1HE2 GLN 3 -5.603 -32.785 5.746 32 HE22 GLN 3 2HE2 GLN 3 -5.696 -34.072 4.555 33 H ASP 4 H ASP 4 -3.638 -28.096 5.063 34 HA ASP 4 HA ASP 4 -1.708 -26.590 3.531 35 HB2 ASP 4 2HB ASP 4 -4.724 -26.230 3.176 36 HB3 ASP 4 3HB ASP 4 -3.581 -24.914 2.916 37 H GLY 5 H GLY 5 -1.424 -24.511 4.740 38 HA2 GLY 5 2HA GLY 5 -2.796 -23.012 6.286 39 HA3 GLY 5 3HA GLY 5 -2.908 -24.423 7.340 40 H GLU 6 H GLU 6 -0.847 -21.763 6.279 41 HA GLU 6 HA GLU 6 0.704 -22.114 8.637 42 HB2 GLU 6 2HB GLU 6 2.889 -21.811 7.358 43 HB3 GLU 6 3HB GLU 6 2.191 -23.432 7.328 44 HG2 GLU 6 2HG GLU 6 1.414 -23.191 5.078 45 HG3 GLU 6 3HG GLU 6 1.671 -21.440 5.090 46 H GLU 7 H GLU 7 1.875 -20.128 9.080 47 HA GLU 7 HA GLU 7 2.041 -17.918 9.310 48 HB2 GLU 7 2HB GLU 7 2.982 -18.258 6.992 49 HB3 GLU 7 3HB GLU 7 1.461 -17.625 6.347 50 HG2 GLU 7 2HG GLU 7 1.845 -15.473 7.412 51 HG3 GLU 7 3HG GLU 7 3.191 -16.126 8.361 52 H GLY 8 H GLY 8 0.865 -15.708 9.084 53 HA2 GLY 8 2HA GLY 8 -1.879 -15.659 8.348 54 HA3 GLY 8 3HA GLY 8 -1.710 -15.802 10.115 55 H THR 9 H THR 9 -2.341 -13.468 7.999 56 HA THR 9 HA THR 9 -0.316 -11.457 8.532 57 HB THR 9 HB THR 9 -2.087 -10.042 7.549 58 HG1 THR 9 1HG THR 9 -3.808 -11.488 8.287 59 HG21 THR 9 1HG2 THR 9 -1.490 -12.584 5.950 60 HG22 THR 9 2HG2 THR 9 -1.959 -11.018 5.270 61 HG23 THR 9 3HG2 THR 9 -0.400 -11.190 6.100 62 H GLU 10 H GLU 10 -0.318 -10.004 10.265 63 HA GLU 10 HA GLU 10 -2.660 -10.161 12.131 64 HB2 GLU 10 2HB GLU 10 0.154 -10.900 12.558 65 HB3 GLU 10 3HB GLU 10 -0.444 -9.733 13.754 66 HG2 GLU 10 2HG GLU 10 -2.353 -11.143 14.283 67 HG3 GLU 10 3HG GLU 10 -1.947 -12.269 12.983 68 H GLU 11 H GLU 11 0.239 -8.142 11.304 69 HA GLU 11 HA GLU 11 -1.405 -5.772 12.127 70 HB2 GLU 11 2HB GLU 11 0.732 -6.111 13.333 71 HB3 GLU 11 3HB GLU 11 1.612 -6.034 11.804 72 HG2 GLU 11 2HG GLU 11 0.898 -3.679 11.506 73 HG3 GLU 11 3HG GLU 11 -0.104 -3.785 12.958 74 H ASP 12 H ASP 12 -0.686 -7.643 9.518 75 HA ASP 12 HA ASP 12 -0.260 -5.564 7.487 76 HB2 ASP 12 2HB ASP 12 1.775 -6.914 6.901 77 HB3 ASP 12 3HB ASP 12 1.892 -6.053 8.426 78 H THR 13 H THR 13 -2.444 -6.327 7.017 79 HA THR 13 HA THR 13 -2.864 -8.994 5.930 80 HB THR 13 HB THR 13 -4.691 -7.807 6.944 81 HG1 THR 13 1HG THR 13 -4.976 -8.043 4.139 82 HG21 THR 13 1HG2 THR 13 -4.172 -5.514 6.615 83 HG22 THR 13 2HG2 THR 13 -4.093 -5.693 4.853 84 HG23 THR 13 3HG2 THR 13 -5.661 -5.829 5.701 85 H GLU 14 H GLU 14 -0.667 -8.535 4.652 86 HA GLU 14 HA GLU 14 -0.833 -6.899 2.351 87 HB2 GLU 14 2HB GLU 14 1.020 -8.201 1.437 88 HB3 GLU 14 3HB GLU 14 1.296 -7.746 3.123 89 HG2 GLU 14 2HG GLU 14 0.866 -10.006 3.886 90 HG3 GLU 14 3HG GLU 14 0.542 -10.530 2.218 91 H GLU 15 H GLU 15 -2.156 -7.070 0.644 92 HA GLU 15 HA GLU 15 -2.823 -9.697 -0.423 93 HB2 GLU 15 2HB GLU 15 -4.600 -8.022 1.122 94 HB3 GLU 15 3HB GLU 15 -5.188 -8.006 -0.528 95 HG2 GLU 15 2HG GLU 15 -4.488 -10.591 0.936 96 HG3 GLU 15 3HG GLU 15 -6.075 -9.826 1.053 97 H LYS 16 H LYS 16 -4.366 -8.994 -2.488 98 HA LYS 16 HA LYS 16 -2.824 -8.126 -4.524 99 HB2 LYS 16 2HB LYS 16 -4.934 -9.149 -4.897 100 HB3 LYS 16 3HB LYS 16 -5.807 -7.936 -3.978 101 HG2 LYS 16 2HG LYS 16 -4.380 -6.914 -6.390 102 HG3 LYS 16 3HG LYS 16 -5.727 -8.018 -6.695 103 HD2 LYS 16 2HD LYS 16 -7.262 -6.635 -5.424 104 HD3 LYS 16 3HD LYS 16 -5.948 -5.569 -4.903 105 HE2 LYS 16 2HE LYS 16 -5.493 -5.044 -7.323 106 HE3 LYS 16 3HE LYS 16 -6.965 -5.939 -7.742 107 HZ1 LYS 16 3HZ LYS 16 -6.828 -3.587 -5.952 108 HZ2 LYS 16 1HZ LYS 16 -7.384 -3.569 -7.499 109 HZ3 LYS 16 2HZ LYS 16 -8.197 -4.398 -6.331 110 H CYS 17 H CYS 17 -1.853 -6.212 -5.222 111 HA CYS 17 HA CYS 17 -1.969 -3.912 -3.579 112 HB2 CYS 17 2HB CYS 17 -0.135 -4.806 -5.238 113 HB3 CYS 17 3HB CYS 17 -1.068 -3.891 -6.418 114 H THR 18 H THR 18 -3.153 -2.106 -3.894 115 HA THR 18 HA THR 18 -5.238 -2.198 -6.042 116 HB THR 18 HB THR 18 -5.545 -2.293 -3.311 117 HG1 THR 18 1HG THR 18 -7.756 -1.937 -3.947 118 HG21 THR 18 1HG2 THR 18 -6.731 -0.262 -2.697 119 HG22 THR 18 2HG2 THR 18 -5.039 0.086 -3.127 120 HG23 THR 18 3HG2 THR 18 -6.353 0.463 -4.278 121 H ILE 19 H ILE 19 -2.577 -0.389 -4.687 122 HA ILE 19 HA ILE 19 -3.208 2.041 -6.116 123 HB ILE 19 HB ILE 19 -0.705 0.886 -4.789 124 HG12 ILE 19 2HG1 ILE 19 -1.449 3.089 -3.363 125 HG13 ILE 19 3HG1 ILE 19 -3.034 2.630 -3.929 126 HG21 ILE 19 1HG2 ILE 19 -0.032 2.418 -6.543 127 HG22 ILE 19 2HG2 ILE 19 -1.154 3.657 -5.914 128 HG23 ILE 19 3HG2 ILE 19 0.243 3.110 -4.942 129 HD11 ILE 19 3HD1 ILE 19 -3.071 1.206 -2.191 130 HD12 ILE 19 1HD1 ILE 19 -1.827 0.224 -2.988 131 HD13 ILE 19 2HD1 ILE 19 -1.345 1.489 -1.851 132 H CYS 20 H CYS 20 -1.336 -0.972 -6.667 133 HA CYS 20 HA CYS 20 -0.675 -0.126 -9.465 134 HB2 CYS 20 2HB CYS 20 -0.251 -2.762 -8.123 135 HB3 CYS 20 3HB CYS 20 0.382 -2.229 -9.674 136 H LEU 21 H LEU 21 -3.589 -0.797 -8.186 137 HA LEU 21 HA LEU 21 -5.381 -2.183 -8.653 138 HB2 LEU 21 2HB LEU 21 -4.636 -0.748 -11.114 139 HB3 LEU 21 3HB LEU 21 -5.989 -1.877 -11.107 140 HG LEU 21 HG LEU 21 -6.489 -0.523 -8.772 141 HD11 LEU 21 1HD1 LEU 21 -6.335 1.858 -9.262 142 HD12 LEU 21 2HD1 LEU 21 -4.728 1.110 -9.237 143 HD13 LEU 21 3HD1 LEU 21 -5.493 1.518 -10.795 144 HD21 LEU 21 3HD2 LEU 21 -8.072 -1.214 -10.446 145 HD22 LEU 21 1HD2 LEU 21 -8.313 0.499 -10.044 146 HD23 LEU 21 2HD2 LEU 21 -7.503 0.049 -11.569 147 H SER 22 H SER 22 -3.257 -3.972 -8.340 148 HA SER 22 HA SER 22 -4.111 -6.222 -9.956 149 HB2 SER 22 2HB SER 22 -1.520 -4.784 -10.599 150 HB3 SER 22 3HB SER 22 -1.612 -6.547 -10.752 151 HG SER 22 HG SER 22 -3.439 -4.752 -11.962 152 H ILE 23 H ILE 23 -2.857 -8.234 -9.327 153 HA ILE 23 HA ILE 23 -2.474 -8.401 -6.536 154 HB ILE 23 HB ILE 23 -1.297 -10.593 -7.358 155 HG12 ILE 23 2HG1 ILE 23 -1.403 -9.518 -9.819 156 HG13 ILE 23 3HG1 ILE 23 -1.400 -11.207 -9.439 157 HG21 ILE 23 1HG2 ILE 23 -4.271 -10.053 -7.559 158 HG22 ILE 23 2HG2 ILE 23 -3.501 -11.659 -7.427 159 HG23 ILE 23 3HG2 ILE 23 -3.346 -10.500 -6.113 160 HD11 ILE 23 3HD1 ILE 23 -3.986 -9.689 -9.851 161 HD12 ILE 23 1HD1 ILE 23 -3.140 -10.620 -11.108 162 HD13 ILE 23 2HD1 ILE 23 -3.755 -11.440 -9.662 163 H LEU 24 H LEU 24 -0.515 -8.701 -5.343 164 HA LEU 24 HA LEU 24 1.683 -7.079 -6.197 165 HB2 LEU 24 2HB LEU 24 0.999 -8.916 -3.876 166 HB3 LEU 24 3HB LEU 24 2.673 -8.514 -4.148 167 HG LEU 24 HG LEU 24 0.458 -6.506 -3.716 168 HD11 LEU 24 1HD1 LEU 24 2.670 -7.538 -1.886 169 HD12 LEU 24 2HD1 LEU 24 1.693 -6.097 -1.533 170 HD13 LEU 24 3HD1 LEU 24 0.913 -7.682 -1.645 171 HD21 LEU 24 3HD2 LEU 24 2.364 -4.888 -3.395 172 HD22 LEU 24 1HD2 LEU 24 3.455 -6.135 -4.040 173 HD23 LEU 24 2HD2 LEU 24 2.143 -5.459 -5.041 174 H GLU 25 H GLU 25 3.891 -7.977 -6.179 175 HA GLU 25 HA GLU 25 4.168 -10.629 -7.379 176 HB2 GLU 25 2HB GLU 25 5.329 -9.830 -9.341 177 HB3 GLU 25 3HB GLU 25 3.697 -9.131 -9.304 178 HG2 GLU 25 2HG GLU 25 4.685 -7.089 -8.194 179 HG3 GLU 25 3HG GLU 25 6.290 -7.775 -8.453 180 H GLU 26 H GLU 26 6.444 -11.313 -7.327 181 HA GLU 26 HA GLU 26 7.797 -10.178 -5.058 182 HB2 GLU 26 2HB GLU 26 7.305 -12.627 -5.590 183 HB3 GLU 26 3HB GLU 26 8.614 -12.573 -6.760 184 HG2 GLU 26 2HG GLU 26 10.250 -12.458 -5.107 185 HG3 GLU 26 3HG GLU 26 9.233 -11.514 -4.014 186 H GLY 27 H GLY 27 7.988 -8.157 -6.548 187 HA2 GLY 27 2HA GLY 27 10.006 -8.335 -8.675 188 HA3 GLY 27 3HA GLY 27 9.025 -6.925 -8.248 189 H GLU 28 H GLU 28 9.593 -6.214 -5.716 190 HA GLU 28 HA GLU 28 12.456 -6.321 -5.235 191 HB2 GLU 28 2HB GLU 28 11.477 -4.261 -6.725 192 HB3 GLU 28 3HB GLU 28 11.074 -3.657 -5.130 193 HG2 GLU 28 2HG GLU 28 13.611 -4.430 -4.622 194 HG3 GLU 28 3HG GLU 28 13.760 -4.291 -6.368 195 H ASP 29 H ASP 29 12.297 -4.308 -3.250 196 HA ASP 29 HA ASP 29 11.124 -5.872 -1.090 197 HB2 ASP 29 2HB ASP 29 12.866 -3.472 -1.319 198 HB3 ASP 29 3HB ASP 29 11.705 -3.394 0.008 199 H VAL 30 H VAL 30 9.247 -5.514 0.005 200 HA VAL 30 HA VAL 30 7.384 -3.586 -1.219 201 HB VAL 30 HB VAL 30 5.690 -4.813 0.094 202 HG11 VAL 30 1HG1 VAL 30 5.651 -6.743 -1.489 203 HG12 VAL 30 2HG1 VAL 30 5.836 -5.147 -2.220 204 HG13 VAL 30 3HG1 VAL 30 7.254 -6.214 -2.074 205 HG21 VAL 30 3HG2 VAL 30 6.158 -6.987 0.958 206 HG22 VAL 30 1HG2 VAL 30 7.825 -6.938 0.350 207 HG23 VAL 30 2HG2 VAL 30 7.324 -5.854 1.679 208 H ARG 31 H ARG 31 5.707 -2.771 0.669 209 HA ARG 31 HA ARG 31 6.955 -2.460 3.207 210 HB2 ARG 31 2HB ARG 31 7.854 -0.528 1.466 211 HB3 ARG 31 3HB ARG 31 6.454 0.267 2.175 212 HG2 ARG 31 2HG ARG 31 8.401 0.867 3.421 213 HG3 ARG 31 3HG ARG 31 7.460 -0.232 4.450 214 HD2 ARG 31 2HD ARG 31 8.951 -2.098 3.863 215 HD3 ARG 31 3HD ARG 31 9.711 -1.145 2.597 216 HE ARG 31 HE ARG 31 11.106 -0.210 4.100 217 HH11 ARG 31 2HH2 ARG 31 8.449 -1.656 5.883 218 HH12 ARG 31 1HH2 ARG 31 9.066 -1.296 7.461 219 HH21 ARG 31 2HH1 ARG 31 12.005 0.259 6.191 220 HH22 ARG 31 1HH1 ARG 31 11.174 -0.211 7.628 221 H ARG 32 H ARG 32 5.490 -1.761 4.838 222 HA ARG 32 HA ARG 32 2.728 -1.532 3.890 223 HB2 ARG 32 2HB ARG 32 2.116 -2.380 6.132 224 HB3 ARG 32 3HB ARG 32 3.186 -3.484 5.279 225 HG2 ARG 32 2HG ARG 32 5.107 -2.358 6.632 226 HG3 ARG 32 3HG ARG 32 3.816 -1.720 7.661 227 HD2 ARG 32 2HD ARG 32 3.133 -3.931 8.304 228 HD3 ARG 32 3HD ARG 32 3.957 -4.667 6.938 229 HE ARG 32 HE ARG 32 5.970 -4.628 7.986 230 HH11 ARG 32 2HH2 ARG 32 3.545 -3.075 10.045 231 HH12 ARG 32 1HH2 ARG 32 4.456 -3.125 11.456 232 HH21 ARG 32 2HH1 ARG 32 7.387 -4.416 9.822 233 HH22 ARG 32 1HH1 ARG 32 6.789 -3.682 11.273 234 H LEU 33 H LEU 33 1.311 -0.082 4.886 235 HA LEU 33 HA LEU 33 2.733 2.447 5.456 236 HB2 LEU 33 2HB LEU 33 -0.170 2.509 5.940 237 HB3 LEU 33 3HB LEU 33 0.897 3.596 5.075 238 HG LEU 33 HG LEU 33 0.852 1.558 3.349 239 HD11 LEU 33 1HD1 LEU 33 -0.984 0.611 5.048 240 HD12 LEU 33 2HD1 LEU 33 -2.048 1.716 4.167 241 HD13 LEU 33 3HD1 LEU 33 -1.192 0.418 3.299 242 HD21 LEU 33 3HD2 LEU 33 -0.750 2.878 2.047 243 HD22 LEU 33 1HD2 LEU 33 -1.152 3.821 3.507 244 HD23 LEU 33 2HD2 LEU 33 0.485 3.895 2.820 245 HA PRO 34 HA PRO 34 2.813 1.739 9.801 246 HB2 PRO 34 2HB PRO 34 2.393 4.246 10.912 247 HB3 PRO 34 3HB PRO 34 3.918 3.697 10.151 248 HG2 PRO 34 2HG PRO 34 1.698 5.326 8.916 249 HG3 PRO 34 3HG PRO 34 3.461 5.607 8.815 250 HD2 PRO 34 2HD PRO 34 2.108 4.383 6.805 251 HD3 PRO 34 3HD PRO 34 3.746 3.835 7.264 252 H CYS 35 H CYS 35 -0.080 2.883 8.342 253 HA CYS 35 HA CYS 35 -2.135 2.626 10.313 254 HB2 CYS 35 2HB CYS 35 -2.698 3.250 8.121 255 HB3 CYS 35 3HB CYS 35 -1.855 1.843 7.441 256 H MET 36 H MET 36 -0.597 0.029 8.342 257 HA MET 36 HA MET 36 -0.417 -2.144 9.816 258 HB2 MET 36 2HB MET 36 -3.329 -1.400 9.646 259 HB3 MET 36 3HB MET 36 -2.926 -3.059 9.281 260 HG2 MET 36 2HG MET 36 -2.268 -3.580 11.408 261 HG3 MET 36 3HG MET 36 -1.690 -1.965 11.763 262 HE1 MET 36 3HE MET 36 -5.313 -2.753 10.323 263 HE2 MET 36 1HE MET 36 -4.949 -4.189 11.319 264 HE3 MET 36 2HE MET 36 -6.211 -3.041 11.829 265 H HIS 37 H HIS 37 -2.689 -1.264 7.177 266 HA HIS 37 HA HIS 37 -2.412 -3.637 5.763 267 HB2 HIS 37 1HB HIS 37 -2.947 -0.937 4.504 268 HB3 HIS 37 2HB HIS 37 -3.361 -2.478 3.833 269 HD2 HIS 37 2HD HIS 37 -5.409 -3.845 4.787 270 HE1 HIS 37 1HE HIS 37 -7.371 -0.525 6.630 271 HE2 HIS 37 2HE HIS 37 -7.619 -3.007 5.910 272 H LEU 38 H LEU 38 -1.208 -4.300 3.844 273 HA LEU 38 HA LEU 38 1.381 -2.851 3.662 274 HB2 LEU 38 2HB LEU 38 1.593 -4.959 4.707 275 HB3 LEU 38 3HB LEU 38 0.781 -5.751 3.359 276 HG LEU 38 HG LEU 38 3.284 -4.182 2.861 277 HD11 LEU 38 1HD1 LEU 38 3.236 -6.948 4.112 278 HD12 LEU 38 2HD1 LEU 38 4.648 -6.255 3.306 279 HD13 LEU 38 3HD1 LEU 38 3.995 -5.492 4.763 280 HD21 LEU 38 3HD2 LEU 38 1.765 -5.669 1.119 281 HD22 LEU 38 1HD2 LEU 38 3.518 -5.454 0.948 282 HD23 LEU 38 2HD2 LEU 38 2.887 -6.909 1.694 283 H PHE 39 H PHE 39 2.464 -2.703 1.672 284 HA PHE 39 HA PHE 39 1.040 -3.434 -0.794 285 HB2 PHE 39 2HB PHE 39 1.495 -0.567 0.121 286 HB3 PHE 39 3HB PHE 39 1.355 -0.940 -1.584 287 HD1 PHE 39 1HD PHE 39 -0.685 -2.726 -2.075 288 HD2 PHE 39 2HD PHE 39 -0.511 0.134 1.130 289 HE1 PHE 39 1HE PHE 39 -3.169 -2.771 -1.907 290 HE2 PHE 39 2HE PHE 39 -2.975 0.087 1.306 291 HZ PHE 39 HZ PHE 39 -4.318 -1.291 -0.330 292 H HIS 40 H HIS 40 2.621 -2.083 -2.681 293 HA HIS 40 HA HIS 40 5.286 -3.209 -2.219 294 HB2 HIS 40 1HB HIS 40 4.278 -1.274 -4.324 295 HB3 HIS 40 2HB HIS 40 5.916 -1.804 -4.207 296 HD2 HIS 40 2HD HIS 40 6.477 -4.393 -4.784 297 HE1 HIS 40 1HE HIS 40 3.248 -4.616 -7.545 298 HE2 HIS 40 2HE HIS 40 5.449 -5.676 -6.826 299 H GLN 41 H GLN 41 7.167 -1.935 -1.900 300 HA GLN 41 HA GLN 41 6.919 0.325 -0.230 301 HB2 GLN 41 2HB GLN 41 8.912 -1.220 -0.346 302 HB3 GLN 41 3HB GLN 41 9.218 -0.713 -1.990 303 HG2 GLN 41 2HG GLN 41 9.170 1.465 0.069 304 HG3 GLN 41 3HG GLN 41 10.490 0.297 0.182 305 HE21 GLN 41 1HE2 GLN 41 11.652 -0.225 -2.078 306 HE22 GLN 41 2HE2 GLN 41 11.938 1.208 -3.016 307 H VAL 42 H VAL 42 7.919 0.050 -3.627 308 HA VAL 42 HA VAL 42 7.989 2.842 -4.062 309 HB VAL 42 HB VAL 42 8.592 0.609 -5.507 310 HG11 VAL 42 1HG1 VAL 42 7.533 0.699 -7.681 311 HG12 VAL 42 2HG1 VAL 42 6.305 0.380 -6.445 312 HG13 VAL 42 3HG1 VAL 42 6.459 2.006 -7.161 313 HG21 VAL 42 3HG2 VAL 42 9.457 2.192 -7.200 314 HG22 VAL 42 1HG2 VAL 42 8.449 3.481 -6.500 315 HG23 VAL 42 2HG2 VAL 42 9.766 2.759 -5.550 316 H CYS 43 H CYS 43 5.264 0.784 -3.729 317 HA CYS 43 HA CYS 43 3.326 2.590 -5.184 318 HB2 CYS 43 2HB CYS 43 3.034 0.182 -3.404 319 HB3 CYS 43 3HB CYS 43 1.716 1.213 -3.897 320 H VAL 44 H VAL 44 4.404 1.866 -1.739 321 HA VAL 44 HA VAL 44 2.330 3.422 -0.626 322 HB VAL 44 HB VAL 44 4.283 1.731 0.269 323 HG11 VAL 44 1HG1 VAL 44 5.134 4.427 1.364 324 HG12 VAL 44 2HG1 VAL 44 5.749 2.822 1.819 325 HG13 VAL 44 3HG1 VAL 44 6.043 3.445 0.191 326 HG21 VAL 44 3HG2 VAL 44 2.734 3.745 1.914 327 HG22 VAL 44 1HG2 VAL 44 2.144 2.170 1.314 328 HG23 VAL 44 2HG2 VAL 44 3.449 2.227 2.516 329 H ASP 45 H ASP 45 5.297 4.139 -2.142 330 HA ASP 45 HA ASP 45 5.561 6.953 -1.323 331 HB2 ASP 45 2HB ASP 45 7.598 5.912 -2.018 332 HB3 ASP 45 3HB ASP 45 6.866 5.237 -3.469 333 H GLN 46 H GLN 46 5.029 5.639 -4.642 334 HA GLN 46 HA GLN 46 4.027 7.921 -5.798 335 HB2 GLN 46 2HB GLN 46 3.483 4.977 -6.259 336 HB3 GLN 46 3HB GLN 46 2.780 6.203 -7.317 337 HG2 GLN 46 2HG GLN 46 5.763 6.202 -6.721 338 HG3 GLN 46 3HG GLN 46 5.086 5.132 -7.940 339 HE21 GLN 46 1HE2 GLN 46 6.645 8.017 -7.701 340 HE22 GLN 46 2HE2 GLN 46 5.916 8.814 -9.101 341 H TRP 47 H TRP 47 2.311 5.751 -3.662 342 HA TRP 47 HA TRP 47 -0.301 6.732 -4.189 343 HB2 TRP 47 2HB TRP 47 0.291 4.519 -3.175 344 HB3 TRP 47 3HB TRP 47 0.809 5.343 -1.707 345 HD1 TRP 47 HD1 TRP 47 -0.943 4.712 -0.007 346 HE1 TRP 47 HE1 TRP 47 -3.508 4.973 0.142 347 HE3 TRP 47 HE3 TRP 47 -2.066 6.080 -4.838 348 HZ2 TRP 47 HZ2 TRP 47 -5.679 5.146 -1.575 349 HZ3 TRP 47 HZ3 TRP 47 -4.374 6.583 -5.442 350 HH2 TRP 47 HH2 TRP 47 -6.251 6.038 -3.879 351 H LEU 48 H LEU 48 1.906 7.276 -1.400 352 HA LEU 48 HA LEU 48 0.510 9.291 -0.152 353 HB2 LEU 48 2HB LEU 48 3.238 8.196 -0.143 354 HB3 LEU 48 3HB LEU 48 3.233 9.873 0.266 355 HG LEU 48 HG LEU 48 1.440 7.780 1.574 356 HD11 LEU 48 1HD1 LEU 48 3.803 7.329 2.043 357 HD12 LEU 48 2HD1 LEU 48 4.046 9.015 2.557 358 HD13 LEU 48 3HD1 LEU 48 2.993 7.936 3.501 359 HD21 LEU 48 3HD2 LEU 48 0.520 10.079 1.810 360 HD22 LEU 48 1HD2 LEU 48 1.136 9.492 3.359 361 HD23 LEU 48 2HD2 LEU 48 2.091 10.649 2.404 362 H ILE 49 H ILE 49 2.284 9.685 -3.171 363 HA ILE 49 HA ILE 49 2.646 12.460 -3.149 364 HB ILE 49 HB ILE 49 1.825 10.587 -5.369 365 HG12 ILE 49 2HG1 ILE 49 3.821 9.747 -4.429 366 HG13 ILE 49 3HG1 ILE 49 4.211 10.534 -5.929 367 HG21 ILE 49 1HG2 ILE 49 1.420 12.818 -6.136 368 HG22 ILE 49 2HG2 ILE 49 2.995 13.367 -5.535 369 HG23 ILE 49 3HG2 ILE 49 2.899 12.218 -6.896 370 HD11 ILE 49 3HD1 ILE 49 5.875 11.126 -4.292 371 HD12 ILE 49 1HD1 ILE 49 4.880 12.572 -4.590 372 HD13 ILE 49 2HD1 ILE 49 4.627 11.593 -3.123 373 H THR 50 H THR 50 -0.368 10.577 -3.740 374 HA THR 50 HA THR 50 -1.877 13.127 -3.949 375 HB THR 50 HB THR 50 -1.553 10.830 -5.716 376 HG1 THR 50 1HG THR 50 -2.303 12.345 -7.138 377 HG21 THR 50 1HG2 THR 50 -4.374 11.616 -4.952 378 HG22 THR 50 2HG2 THR 50 -3.927 10.731 -6.432 379 HG23 THR 50 3HG2 THR 50 -3.608 9.996 -4.854 380 H ASN 51 H ASN 51 -2.187 9.616 -2.946 381 HA ASN 51 HA ASN 51 -4.568 10.066 -1.526 382 HB2 ASN 51 2HB ASN 51 -4.397 7.887 -0.966 383 HB3 ASN 51 3HB ASN 51 -3.064 7.886 -2.114 384 HD21 ASN 51 1HD2 ASN 51 -3.949 7.352 1.235 385 HD22 ASN 51 2HD2 ASN 51 -2.288 7.206 1.805 386 H LYS 52 H LYS 52 -5.026 10.614 0.557 387 HA LYS 52 HA LYS 52 -2.725 10.976 2.431 388 HB2 LYS 52 2HB LYS 52 -5.225 12.712 2.380 389 HB3 LYS 52 3HB LYS 52 -3.855 12.830 3.493 390 HG2 LYS 52 2HG LYS 52 -2.408 13.130 1.309 391 HG3 LYS 52 3HG LYS 52 -3.960 13.476 0.527 392 HD2 LYS 52 2HD LYS 52 -3.060 15.583 1.191 393 HD3 LYS 52 3HD LYS 52 -4.335 15.225 2.374 394 HE2 LYS 52 2HE LYS 52 -1.893 13.990 3.291 395 HE3 LYS 52 3HE LYS 52 -1.456 15.608 2.755 396 HZ1 LYS 52 3HZ LYS 52 -2.005 15.659 5.000 397 HZ2 LYS 52 1HZ LYS 52 -3.196 16.464 4.220 398 HZ3 LYS 52 2HZ LYS 52 -3.476 14.931 4.796 399 H LYS 53 H LYS 53 -5.313 8.971 1.757 400 HA LYS 53 HA LYS 53 -5.687 8.336 4.581 401 HB2 LYS 53 2HB LYS 53 -7.982 8.710 2.603 402 HB3 LYS 53 3HB LYS 53 -8.122 8.014 4.201 403 HG2 LYS 53 2HG LYS 53 -7.612 10.024 5.331 404 HG3 LYS 53 3HG LYS 53 -7.009 10.826 3.885 405 HD2 LYS 53 2HD LYS 53 -9.912 10.050 4.322 406 HD3 LYS 53 3HD LYS 53 -9.196 11.666 4.563 407 HE2 LYS 53 2HE LYS 53 -8.262 11.404 2.164 408 HE3 LYS 53 3HE LYS 53 -9.404 10.066 1.985 409 HZ1 LYS 53 3HZ LYS 53 -10.096 12.863 2.660 410 HZ2 LYS 53 1HZ LYS 53 -10.318 12.163 1.189 411 HZ3 LYS 53 2HZ LYS 53 -11.185 11.642 2.494 412 H CYS 54 H CYS 54 -6.525 6.230 4.793 413 HA CYS 54 HA CYS 54 -4.634 4.549 3.307 414 HB2 CYS 54 2HB CYS 54 -5.407 4.302 5.729 415 HB3 CYS 54 3HB CYS 54 -6.919 3.667 5.046 416 HA PRO 55 HA PRO 55 -7.402 3.726 -0.077 417 HB2 PRO 55 2HB PRO 55 -6.264 1.520 -1.209 418 HB3 PRO 55 3HB PRO 55 -5.491 3.093 -1.299 419 HG2 PRO 55 2HG PRO 55 -4.931 0.851 0.590 420 HG3 PRO 55 3HG PRO 55 -3.749 1.901 -0.274 421 HD2 PRO 55 2HD PRO 55 -4.493 2.224 2.298 422 HD3 PRO 55 3HD PRO 55 -3.958 3.573 1.339 423 H ILE 56 H ILE 56 -6.705 1.382 2.485 424 HA ILE 56 HA ILE 56 -9.199 -0.079 1.857 425 HB ILE 56 HB ILE 56 -6.841 -0.906 3.502 426 HG12 ILE 56 2HG1 ILE 56 -7.919 -2.179 0.954 427 HG13 ILE 56 3HG1 ILE 56 -6.755 -0.853 0.858 428 HG21 ILE 56 1HG2 ILE 56 -8.144 -3.095 3.561 429 HG22 ILE 56 2HG2 ILE 56 -8.984 -1.786 4.408 430 HG23 ILE 56 3HG2 ILE 56 -9.493 -2.258 2.783 431 HD11 ILE 56 3HD1 ILE 56 -5.601 -2.996 0.829 432 HD12 ILE 56 1HD1 ILE 56 -5.185 -2.042 2.279 433 HD13 ILE 56 2HD1 ILE 56 -6.310 -3.415 2.403 434 H CYS 57 H CYS 57 -7.318 1.276 4.725 435 HA CYS 57 HA CYS 57 -9.548 0.957 6.541 436 HB2 CYS 57 2HB CYS 57 -7.698 3.245 6.909 437 HB3 CYS 57 3HB CYS 57 -8.532 2.265 8.065 438 H ARG 58 H ARG 58 -8.809 3.446 4.100 439 HA ARG 58 HA ARG 58 -9.836 5.292 3.396 440 HB2 ARG 58 2HB ARG 58 -11.810 3.470 3.746 441 HB3 ARG 58 3HB ARG 58 -12.392 4.696 4.864 442 HG2 ARG 58 2HG ARG 58 -11.776 5.061 1.895 443 HG3 ARG 58 3HG ARG 58 -13.377 4.873 2.618 444 HD2 ARG 58 2HD ARG 58 -12.916 6.955 3.982 445 HD3 ARG 58 3HD ARG 58 -11.480 7.222 2.984 446 HE ARG 58 HE ARG 58 -14.262 7.677 2.353 447 HH11 ARG 58 2HH2 ARG 58 -11.196 6.857 0.822 448 HH12 ARG 58 1HH2 ARG 58 -11.616 7.464 -0.743 449 HH21 ARG 58 2HH1 ARG 58 -14.873 8.488 0.271 450 HH22 ARG 58 1HH1 ARG 58 -13.773 8.423 -1.053 451 H VAL 59 H VAL 59 -8.414 5.327 6.075 452 HA VAL 59 HA VAL 59 -9.468 7.966 6.919 453 HB VAL 59 HB VAL 59 -9.252 7.492 9.146 454 HG11 VAL 59 1HG1 VAL 59 -10.309 4.885 8.045 455 HG12 VAL 59 2HG1 VAL 59 -10.766 5.647 9.583 456 HG13 VAL 59 3HG1 VAL 59 -11.221 6.416 8.040 457 HG21 VAL 59 3HG2 VAL 59 -7.170 6.372 9.356 458 HG22 VAL 59 1HG2 VAL 59 -8.380 5.325 10.103 459 HG23 VAL 59 2HG2 VAL 59 -7.763 4.939 8.483 460 H ASP 60 H ASP 60 -7.758 9.325 7.979 461 HA ASP 60 HA ASP 60 -5.511 9.237 6.340 462 HB2 ASP 60 2HB ASP 60 -5.743 10.640 9.035 463 HB3 ASP 60 3HB ASP 60 -4.673 11.037 7.727 464 H ILE 61 H ILE 61 -3.704 8.096 6.454 465 HA ILE 61 HA ILE 61 -3.291 5.972 7.981 466 HB ILE 61 HB ILE 61 -1.070 7.711 6.882 467 HG12 ILE 61 2HG1 ILE 61 -1.624 5.765 4.988 468 HG13 ILE 61 3HG1 ILE 61 -3.239 6.098 5.581 469 HG21 ILE 61 1HG2 ILE 61 0.127 5.640 6.625 470 HG22 ILE 61 2HG2 ILE 61 -0.428 5.752 8.309 471 HG23 ILE 61 3HG2 ILE 61 -1.291 4.704 7.163 472 HD11 ILE 61 3HD1 ILE 61 -3.009 7.636 3.846 473 HD12 ILE 61 1HD1 ILE 61 -2.478 8.641 5.211 474 HD13 ILE 61 2HD1 ILE 61 -1.274 7.894 4.156 475 H GLU 62 H GLU 62 -2.413 9.270 8.835 476 HA GLU 62 HA GLU 62 -2.726 9.123 11.417 477 HB2 GLU 62 2HB GLU 62 -0.158 7.820 10.938 478 HB3 GLU 62 3HB GLU 62 0.163 9.356 11.704 479 HG2 GLU 62 2HG GLU 62 -1.883 8.672 13.271 480 HG3 GLU 62 3HG GLU 62 -1.467 7.042 12.739 481 H ALA 63 H ALA 63 -0.879 11.013 12.419 482 HA ALA 63 HA ALA 63 -1.500 13.444 11.030 483 HB1 ALA 63 1HB ALA 63 -0.917 13.368 13.440 484 HB2 ALA 63 2HB ALA 63 0.719 12.803 13.026 485 HB3 ALA 63 3HB ALA 63 0.195 14.430 12.548 486 H GLN 64 H GLN 64 -0.130 14.751 9.745 487 HA GLN 64 HA GLN 64 1.718 13.220 8.032 488 HB2 GLN 64 2HB GLN 64 -0.181 14.771 7.236 489 HB3 GLN 64 3HB GLN 64 0.805 16.118 7.819 490 HG2 GLN 64 2HG GLN 64 2.660 15.262 6.264 491 HG3 GLN 64 3HG GLN 64 1.474 14.120 5.615 492 HE21 GLN 64 1HE2 GLN 64 2.705 17.308 5.460 493 HE22 GLN 64 2HE2 GLN 64 1.459 17.997 4.419 494 H LEU 65 H LEU 65 3.945 14.013 7.654 495 HA LEU 65 HA LEU 65 5.153 15.172 10.040 496 HB2 LEU 65 2HB LEU 65 6.291 14.372 7.315 497 HB3 LEU 65 3HB LEU 65 7.243 15.007 8.639 498 HG LEU 65 HG LEU 65 6.115 13.039 10.035 499 HD11 LEU 65 1HD1 LEU 65 5.997 12.026 7.153 500 HD12 LEU 65 2HD1 LEU 65 5.971 10.973 8.583 501 HD13 LEU 65 3HD1 LEU 65 4.651 12.107 8.315 502 HD21 LEU 65 3HD2 LEU 65 8.522 13.333 9.676 503 HD22 LEU 65 1HD2 LEU 65 8.062 11.633 9.501 504 HD23 LEU 65 2HD2 LEU 65 8.380 12.615 8.052 505 HA PRO 66 HA PRO 66 5.054 19.381 8.524 506 HB2 PRO 66 2HB PRO 66 7.112 20.540 9.854 507 HB3 PRO 66 3HB PRO 66 5.727 19.838 10.740 508 HG2 PRO 66 2HG PRO 66 8.398 18.505 10.156 509 HG3 PRO 66 3HG PRO 66 7.581 18.682 11.743 510 HD2 PRO 66 2HD PRO 66 7.332 16.426 10.245 511 HD3 PRO 66 3HD PRO 66 5.953 17.063 11.188 512 H SER 67 H SER 67 5.543 18.243 6.436 513 HA SER 67 HA SER 67 6.349 18.650 4.381 514 HB2 SER 67 2HB SER 67 7.006 20.907 5.371 515 HB3 SER 67 3HB SER 67 8.657 20.264 5.502 516 HG SER 67 HG SER 67 8.795 20.128 3.342 517 H GLU 68 H GLU 68 7.800 17.575 3.013 518 HA GLU 68 HA GLU 68 10.106 16.181 4.106 519 HB2 GLU 68 2HB GLU 68 9.222 13.913 3.560 520 HB3 GLU 68 3HB GLU 68 8.489 14.696 4.950 521 HG2 GLU 68 2HG GLU 68 6.601 15.411 3.218 522 HG3 GLU 68 3HG GLU 68 7.242 14.060 2.283 523 H SER 69 H SER 69 7.788 15.824 1.363 524 HA SER 69 HA SER 69 8.047 16.017 -0.868 525 HB2 SER 69 2HB SER 69 9.974 18.029 0.115 526 HB3 SER 69 3HB SER 69 10.455 17.323 -1.425 527 HG SER 69 HG SER 69 8.496 17.877 -2.283 Start of MODEL 19 1 H1 MET 1 H1 MET 1 9.471 -2.927 16.266 2 H2 MET 1 H2 MET 1 9.871 -1.390 15.815 3 H3 MET 1 H3 MET 1 9.337 -1.695 17.346 4 HA MET 1 HA MET 1 7.627 -0.658 16.096 5 HB2 MET 1 2HB MET 1 8.504 -1.650 13.915 6 HB3 MET 1 3HB MET 1 7.580 -3.104 14.287 7 HG2 MET 1 2HG MET 1 6.432 -0.278 14.207 8 HG3 MET 1 3HG MET 1 6.455 -1.360 12.817 9 HE1 MET 1 3HE MET 1 2.679 -1.177 13.654 10 HE2 MET 1 1HE MET 1 3.813 0.139 14.033 11 HE3 MET 1 2HE MET 1 3.980 -0.771 12.514 12 H LYS 2 H LYS 2 6.928 -4.235 15.853 13 HA LYS 2 HA LYS 2 6.193 -4.133 18.701 14 HB2 LYS 2 2HB LYS 2 4.254 -4.111 16.676 15 HB3 LYS 2 3HB LYS 2 4.421 -5.835 17.033 16 HG2 LYS 2 2HG LYS 2 4.002 -5.386 19.430 17 HG3 LYS 2 3HG LYS 2 4.013 -3.645 19.113 18 HD2 LYS 2 2HD LYS 2 1.755 -4.171 19.293 19 HD3 LYS 2 3HD LYS 2 2.026 -4.016 17.550 20 HE2 LYS 2 2HE LYS 2 2.000 -6.421 17.257 21 HE3 LYS 2 3HE LYS 2 2.145 -6.697 18.998 22 HZ1 LYS 2 3HZ LYS 2 -0.103 -7.052 18.245 23 HZ2 LYS 2 1HZ LYS 2 -0.061 -5.781 19.282 24 HZ3 LYS 2 2HZ LYS 2 -0.220 -5.522 17.665 25 H GLN 3 H GLN 3 7.408 -5.779 19.651 26 HA GLN 3 HA GLN 3 8.412 -7.934 17.901 27 HB2 GLN 3 2HB GLN 3 9.197 -7.009 20.698 28 HB3 GLN 3 3HB GLN 3 9.510 -8.653 20.135 29 HG2 GLN 3 2HG GLN 3 10.593 -7.494 18.040 30 HG3 GLN 3 3HG GLN 3 10.688 -6.077 19.095 31 HE21 GLN 3 1HE2 GLN 3 12.011 -9.278 18.374 32 HE22 GLN 3 2HE2 GLN 3 13.216 -9.235 19.649 33 H ASP 4 H ASP 4 7.978 -10.070 18.593 34 HA ASP 4 HA ASP 4 6.623 -11.748 18.978 35 HB2 ASP 4 2HB ASP 4 5.838 -10.221 21.481 36 HB3 ASP 4 3HB ASP 4 5.508 -11.926 21.161 37 H GLY 5 H GLY 5 4.336 -12.511 19.285 38 HA2 GLY 5 2HA GLY 5 1.996 -12.169 18.880 39 HA3 GLY 5 3HA GLY 5 2.358 -10.606 18.121 40 H GLU 6 H GLU 6 1.185 -13.461 17.281 41 HA GLU 6 HA GLU 6 1.928 -13.174 14.550 42 HB2 GLU 6 2HB GLU 6 3.900 -14.506 15.422 43 HB3 GLU 6 3HB GLU 6 2.778 -15.790 15.892 44 HG2 GLU 6 2HG GLU 6 2.101 -16.094 13.550 45 HG3 GLU 6 3HG GLU 6 3.040 -14.675 13.062 46 H GLU 7 H GLU 7 0.765 -15.631 16.929 47 HA GLU 7 HA GLU 7 -1.510 -16.321 15.311 48 HB2 GLU 7 2HB GLU 7 -0.165 -17.637 17.203 49 HB3 GLU 7 3HB GLU 7 -1.390 -16.948 18.265 50 HG2 GLU 7 2HG GLU 7 -3.155 -17.865 16.696 51 HG3 GLU 7 3HG GLU 7 -1.861 -18.594 15.737 52 H GLY 8 H GLY 8 -2.315 -14.160 14.907 53 HA2 GLY 8 2HA GLY 8 -4.664 -13.367 16.042 54 HA3 GLY 8 3HA GLY 8 -3.469 -12.631 17.126 55 H THR 9 H THR 9 -4.312 -12.959 13.677 56 HA THR 9 HA THR 9 -2.988 -10.487 12.885 57 HB THR 9 HB THR 9 -3.039 -11.822 11.054 58 HG1 THR 9 1HG THR 9 -4.103 -10.134 10.214 59 HG21 THR 9 1HG2 THR 9 -4.181 -13.740 11.892 60 HG22 THR 9 2HG2 THR 9 -5.738 -12.849 11.958 61 HG23 THR 9 3HG2 THR 9 -4.986 -13.251 10.396 62 H GLU 10 H GLU 10 -4.336 -8.624 12.115 63 HA GLU 10 HA GLU 10 -6.981 -8.344 13.309 64 HB2 GLU 10 2HB GLU 10 -5.579 -7.882 15.287 65 HB3 GLU 10 3HB GLU 10 -4.657 -6.674 14.375 66 HG2 GLU 10 2HG GLU 10 -6.696 -5.294 14.113 67 HG3 GLU 10 3HG GLU 10 -7.662 -6.548 14.902 68 H GLU 11 H GLU 11 -4.122 -6.482 12.052 69 HA GLU 11 HA GLU 11 -5.795 -5.487 9.869 70 HB2 GLU 11 2HB GLU 11 -5.878 -3.885 11.888 71 HB3 GLU 11 3HB GLU 11 -4.134 -3.687 11.669 72 HG2 GLU 11 2HG GLU 11 -5.101 -1.835 10.598 73 HG3 GLU 11 3HG GLU 11 -4.642 -2.922 9.289 74 H ASP 12 H ASP 12 -4.597 -5.825 8.201 75 HA ASP 12 HA ASP 12 -1.884 -5.719 7.424 76 HB2 ASP 12 2HB ASP 12 -1.158 -8.046 7.958 77 HB3 ASP 12 3HB ASP 12 -1.171 -6.974 9.325 78 H THR 13 H THR 13 -3.471 -5.331 5.723 79 HA THR 13 HA THR 13 -4.744 -7.652 4.436 80 HB THR 13 HB THR 13 -5.808 -5.417 4.484 81 HG1 THR 13 1HG THR 13 -5.143 -6.410 1.925 82 HG21 THR 13 1HG2 THR 13 -4.052 -4.408 2.278 83 HG22 THR 13 2HG2 THR 13 -4.929 -3.538 3.532 84 HG23 THR 13 3HG2 THR 13 -3.389 -4.332 3.913 85 H GLU 14 H GLU 14 -2.046 -8.287 4.653 86 HA GLU 14 HA GLU 14 -0.597 -6.899 2.593 87 HB2 GLU 14 2HB GLU 14 1.235 -8.577 3.139 88 HB3 GLU 14 3HB GLU 14 0.702 -7.533 4.456 89 HG2 GLU 14 2HG GLU 14 -0.347 -9.241 5.632 90 HG3 GLU 14 3HG GLU 14 -0.494 -10.300 4.234 91 H GLU 15 H GLU 15 -1.691 -7.330 0.566 92 HA GLU 15 HA GLU 15 -1.151 -9.963 -0.547 93 HB2 GLU 15 2HB GLU 15 -3.437 -10.357 -1.185 94 HB3 GLU 15 3HB GLU 15 -3.365 -10.150 0.546 95 HG2 GLU 15 2HG GLU 15 -4.524 -8.143 0.531 96 HG3 GLU 15 3HG GLU 15 -3.968 -7.684 -1.075 97 H LYS 16 H LYS 16 -2.754 -9.605 -2.772 98 HA LYS 16 HA LYS 16 -1.307 -8.343 -4.727 99 HB2 LYS 16 2HB LYS 16 -3.048 -9.850 -5.255 100 HB3 LYS 16 3HB LYS 16 -4.238 -9.007 -4.287 101 HG2 LYS 16 2HG LYS 16 -3.136 -7.489 -6.589 102 HG3 LYS 16 3HG LYS 16 -4.162 -8.873 -6.974 103 HD2 LYS 16 2HD LYS 16 -5.993 -7.988 -5.655 104 HD3 LYS 16 3HD LYS 16 -4.985 -6.671 -5.041 105 HE2 LYS 16 2HE LYS 16 -4.627 -5.923 -7.430 106 HE3 LYS 16 3HE LYS 16 -5.853 -7.103 -7.926 107 HZ1 LYS 16 3HZ LYS 16 -7.395 -5.951 -6.429 108 HZ2 LYS 16 1HZ LYS 16 -6.231 -4.848 -6.053 109 HZ3 LYS 16 2HZ LYS 16 -6.815 -4.941 -7.598 110 H CYS 17 H CYS 17 -0.964 -6.229 -5.388 111 HA CYS 17 HA CYS 17 -1.552 -4.102 -3.608 112 HB2 CYS 17 2HB CYS 17 0.472 -4.291 -4.947 113 HB3 CYS 17 3HB CYS 17 -0.471 -4.173 -6.425 114 H THR 18 H THR 18 -2.815 -2.302 -4.068 115 HA THR 18 HA THR 18 -5.111 -2.815 -5.900 116 HB THR 18 HB THR 18 -5.126 -3.111 -3.193 117 HG1 THR 18 1HG THR 18 -7.383 -3.195 -3.571 118 HG21 THR 18 1HG2 THR 18 -5.011 -0.683 -2.867 119 HG22 THR 18 2HG2 THR 18 -6.497 -0.484 -3.834 120 HG23 THR 18 3HG2 THR 18 -6.546 -1.355 -2.282 121 H ILE 19 H ILE 19 -2.775 -0.451 -4.718 122 HA ILE 19 HA ILE 19 -4.142 1.787 -5.883 123 HB ILE 19 HB ILE 19 -1.280 1.157 -5.005 124 HG12 ILE 19 2HG1 ILE 19 -2.032 3.206 -3.466 125 HG13 ILE 19 3HG1 ILE 19 -3.649 2.614 -3.771 126 HG21 ILE 19 1HG2 ILE 19 -1.097 2.760 -6.810 127 HG22 ILE 19 2HG2 ILE 19 -2.334 3.794 -6.048 128 HG23 ILE 19 3HG2 ILE 19 -0.752 3.523 -5.263 129 HD11 ILE 19 3HD1 ILE 19 -1.386 0.826 -2.786 130 HD12 ILE 19 1HD1 ILE 19 -2.338 1.829 -1.688 131 HD13 ILE 19 2HD1 ILE 19 -3.151 0.569 -2.634 132 H CYS 20 H CYS 20 -1.843 -0.715 -6.968 133 HA CYS 20 HA CYS 20 -1.980 0.433 -9.764 134 HB2 CYS 20 2HB CYS 20 -0.213 -1.175 -10.240 135 HB3 CYS 20 3HB CYS 20 0.257 0.031 -9.027 136 H LEU 21 H LEU 21 -4.091 -1.001 -8.131 137 HA LEU 21 HA LEU 21 -5.482 -2.757 -8.196 138 HB2 LEU 21 2HB LEU 21 -5.564 -1.091 -10.487 139 HB3 LEU 21 3HB LEU 21 -6.169 -2.680 -10.901 140 HG LEU 21 HG LEU 21 -7.347 -2.207 -8.407 141 HD11 LEU 21 1HD1 LEU 21 -7.468 0.334 -10.091 142 HD12 LEU 21 2HD1 LEU 21 -8.339 0.022 -8.570 143 HD13 LEU 21 3HD1 LEU 21 -6.569 0.148 -8.570 144 HD21 LEU 21 3HD2 LEU 21 -9.414 -1.984 -9.687 145 HD22 LEU 21 1HD2 LEU 21 -8.472 -1.730 -11.179 146 HD23 LEU 21 2HD2 LEU 21 -8.381 -3.285 -10.316 147 H SER 22 H SER 22 -2.844 -3.936 -8.486 148 HA SER 22 HA SER 22 -3.553 -6.407 -9.960 149 HB2 SER 22 2HB SER 22 -2.492 -4.648 -11.551 150 HB3 SER 22 3HB SER 22 -0.984 -4.961 -10.664 151 HG SER 22 HG SER 22 -2.419 -6.559 -12.416 152 H ILE 23 H ILE 23 -1.432 -7.956 -9.879 153 HA ILE 23 HA ILE 23 -1.075 -8.410 -7.059 154 HB ILE 23 HB ILE 23 0.539 -10.177 -8.062 155 HG12 ILE 23 2HG1 ILE 23 0.293 -8.826 -10.390 156 HG13 ILE 23 3HG1 ILE 23 0.704 -10.494 -10.205 157 HG21 ILE 23 1HG2 ILE 23 -1.368 -11.673 -8.405 158 HG22 ILE 23 2HG2 ILE 23 -1.558 -10.660 -6.979 159 HG23 ILE 23 3HG2 ILE 23 -2.466 -10.265 -8.447 160 HD11 ILE 23 3HD1 ILE 23 -2.147 -9.592 -10.661 161 HD12 ILE 23 1HD1 ILE 23 -1.035 -10.163 -11.925 162 HD13 ILE 23 2HD1 ILE 23 -1.523 -11.257 -10.618 163 H LEU 24 H LEU 24 0.954 -8.472 -5.932 164 HA LEU 24 HA LEU 24 2.651 -6.240 -6.502 165 HB2 LEU 24 2HB LEU 24 2.588 -8.569 -4.544 166 HB3 LEU 24 3HB LEU 24 4.017 -7.570 -4.657 167 HG LEU 24 HG LEU 24 1.245 -6.515 -4.147 168 HD11 LEU 24 1HD1 LEU 24 1.955 -6.189 -1.796 169 HD12 LEU 24 2HD1 LEU 24 2.036 -7.897 -2.236 170 HD13 LEU 24 3HD1 LEU 24 3.530 -6.932 -2.161 171 HD21 LEU 24 3HD2 LEU 24 2.641 -4.788 -5.088 172 HD22 LEU 24 1HD2 LEU 24 2.423 -4.477 -3.374 173 HD23 LEU 24 2HD2 LEU 24 3.955 -5.165 -3.960 174 H GLU 25 H GLU 25 4.936 -6.391 -6.727 175 HA GLU 25 HA GLU 25 5.801 -8.016 -8.924 176 HB2 GLU 25 2HB GLU 25 7.039 -6.169 -6.977 177 HB3 GLU 25 3HB GLU 25 8.094 -7.100 -8.056 178 HG2 GLU 25 2HG GLU 25 5.716 -5.600 -9.192 179 HG3 GLU 25 3HG GLU 25 7.161 -4.720 -8.727 180 H GLU 26 H GLU 26 7.470 -9.608 -8.908 181 HA GLU 26 HA GLU 26 7.002 -11.597 -6.930 182 HB2 GLU 26 2HB GLU 26 7.801 -11.656 -9.515 183 HB3 GLU 26 3HB GLU 26 9.380 -11.825 -8.760 184 HG2 GLU 26 2HG GLU 26 6.920 -13.587 -8.408 185 HG3 GLU 26 3HG GLU 26 8.428 -14.017 -9.214 186 H GLY 27 H GLY 27 7.787 -11.459 -4.945 187 HA2 GLY 27 2HA GLY 27 9.059 -10.876 -3.093 188 HA3 GLY 27 3HA GLY 27 10.272 -11.732 -4.051 189 H GLU 28 H GLU 28 8.891 -8.370 -4.538 190 HA GLU 28 HA GLU 28 11.596 -7.358 -4.791 191 HB2 GLU 28 2HB GLU 28 8.866 -6.697 -5.633 192 HB3 GLU 28 3HB GLU 28 9.590 -5.304 -4.929 193 HG2 GLU 28 2HG GLU 28 10.832 -7.007 -7.151 194 HG3 GLU 28 3HG GLU 28 9.958 -5.489 -7.404 195 H ASP 29 H ASP 29 11.530 -5.013 -3.924 196 HA ASP 29 HA ASP 29 11.609 -5.162 -0.952 197 HB2 ASP 29 2HB ASP 29 12.792 -3.301 -3.028 198 HB3 ASP 29 3HB ASP 29 12.556 -2.715 -1.381 199 H VAL 30 H VAL 30 9.198 -5.430 -1.302 200 HA VAL 30 HA VAL 30 7.587 -3.012 -1.683 201 HB VAL 30 HB VAL 30 5.739 -4.494 -0.920 202 HG11 VAL 30 1HG1 VAL 30 7.534 -5.685 -3.028 203 HG12 VAL 30 2HG1 VAL 30 5.774 -5.891 -2.854 204 HG13 VAL 30 3HG1 VAL 30 6.453 -4.275 -3.180 205 HG21 VAL 30 3HG2 VAL 30 7.925 -6.520 -0.416 206 HG22 VAL 30 1HG2 VAL 30 6.646 -5.941 0.670 207 HG23 VAL 30 2HG2 VAL 30 6.239 -6.954 -0.730 208 H ARG 31 H ARG 31 5.851 -2.602 0.213 209 HA ARG 31 HA ARG 31 7.206 -2.575 2.768 210 HB2 ARG 31 2HB ARG 31 8.575 -0.966 1.707 211 HB3 ARG 31 3HB ARG 31 7.181 -0.132 1.053 212 HG2 ARG 31 2HG ARG 31 7.482 -0.301 4.058 213 HG3 ARG 31 3HG ARG 31 8.501 0.814 3.131 214 HD2 ARG 31 2HD ARG 31 6.505 1.729 2.020 215 HD3 ARG 31 3HD ARG 31 5.456 0.764 3.020 216 HE ARG 31 HE ARG 31 5.927 1.955 4.902 217 HH11 ARG 31 2HH2 ARG 31 7.766 3.288 2.185 218 HH12 ARG 31 1HH2 ARG 31 8.104 4.801 2.940 219 HH21 ARG 31 2HH1 ARG 31 6.407 3.956 5.951 220 HH22 ARG 31 1HH1 ARG 31 7.312 5.186 5.145 221 H ARG 32 H ARG 32 5.904 -1.795 4.509 222 HA ARG 32 HA ARG 32 3.073 -1.614 3.757 223 HB2 ARG 32 2HB ARG 32 2.744 -2.248 6.229 224 HB3 ARG 32 3HB ARG 32 3.332 -3.514 5.164 225 HG2 ARG 32 2HG ARG 32 5.359 -1.873 6.663 226 HG3 ARG 32 3HG ARG 32 4.427 -3.094 7.538 227 HD2 ARG 32 2HD ARG 32 5.235 -4.887 6.250 228 HD3 ARG 32 3HD ARG 32 5.808 -3.842 4.947 229 HE ARG 32 HE ARG 32 7.130 -3.281 7.443 230 HH11 ARG 32 2HH2 ARG 32 7.083 -5.601 4.768 231 HH12 ARG 32 1HH2 ARG 32 8.765 -5.973 4.844 232 HH21 ARG 32 2HH1 ARG 32 9.394 -3.818 7.606 233 HH22 ARG 32 1HH1 ARG 32 10.088 -4.975 6.531 234 H LEU 33 H LEU 33 1.679 -0.121 4.785 235 HA LEU 33 HA LEU 33 3.060 2.447 5.158 236 HB2 LEU 33 2HB LEU 33 0.169 2.069 5.903 237 HB3 LEU 33 3HB LEU 33 1.017 3.490 5.337 238 HG LEU 33 HG LEU 33 1.286 2.049 3.164 239 HD11 LEU 33 1HD1 LEU 33 -1.007 0.808 4.644 240 HD12 LEU 33 2HD1 LEU 33 -1.271 1.143 2.940 241 HD13 LEU 33 3HD1 LEU 33 0.081 0.103 3.433 242 HD21 LEU 33 3HD2 LEU 33 -0.655 3.259 2.247 243 HD22 LEU 33 1HD2 LEU 33 -1.197 3.628 3.903 244 HD23 LEU 33 2HD2 LEU 33 0.338 4.290 3.283 245 HA PRO 34 HA PRO 34 3.690 1.877 9.464 246 HB2 PRO 34 2HB PRO 34 3.091 4.411 10.552 247 HB3 PRO 34 3HB PRO 34 4.651 3.859 9.885 248 HG2 PRO 34 2HG PRO 34 2.633 5.651 8.660 249 HG3 PRO 34 3HG PRO 34 4.369 5.503 8.302 250 HD2 PRO 34 2HD PRO 34 2.248 4.483 6.757 251 HD3 PRO 34 3HD PRO 34 3.965 4.016 6.596 252 H CYS 35 H CYS 35 0.575 2.804 8.347 253 HA CYS 35 HA CYS 35 -1.218 2.455 10.539 254 HB2 CYS 35 2HB CYS 35 -1.964 3.090 8.353 255 HB3 CYS 35 3HB CYS 35 -1.288 1.607 7.663 256 H MET 36 H MET 36 0.035 -0.081 8.325 257 HA MET 36 HA MET 36 0.723 -2.188 9.699 258 HB2 MET 36 2HB MET 36 -2.171 -1.733 10.362 259 HB3 MET 36 3HB MET 36 -1.766 -3.313 9.763 260 HG2 MET 36 2HG MET 36 -0.456 -1.994 12.160 261 HG3 MET 36 3HG MET 36 -1.648 -3.288 12.191 262 HE1 MET 36 3HE MET 36 1.181 -3.210 13.723 263 HE2 MET 36 1HE MET 36 -0.044 -4.493 13.889 264 HE3 MET 36 2HE MET 36 1.651 -4.917 13.540 265 H HIS 37 H HIS 37 -2.031 -1.311 7.503 266 HA HIS 37 HA HIS 37 -2.026 -3.621 5.969 267 HB2 HIS 37 1HB HIS 37 -2.543 -0.756 5.141 268 HB3 HIS 37 2HB HIS 37 -3.065 -2.122 4.248 269 HD2 HIS 37 2HD HIS 37 -4.674 -3.960 5.752 270 HE1 HIS 37 1HE HIS 37 -6.878 -0.936 7.649 271 HE2 HIS 37 2HE HIS 37 -6.804 -3.378 7.103 272 H LEU 38 H LEU 38 -1.033 -4.141 3.881 273 HA LEU 38 HA LEU 38 1.627 -2.825 3.610 274 HB2 LEU 38 2HB LEU 38 1.824 -5.014 4.522 275 HB3 LEU 38 3HB LEU 38 0.904 -5.697 3.186 276 HG LEU 38 HG LEU 38 3.441 -4.264 2.572 277 HD11 LEU 38 1HD1 LEU 38 3.308 -7.110 3.647 278 HD12 LEU 38 2HD1 LEU 38 4.741 -6.325 2.953 279 HD13 LEU 38 3HD1 LEU 38 4.036 -5.727 4.470 280 HD21 LEU 38 3HD2 LEU 38 1.970 -5.327 0.722 281 HD22 LEU 38 1HD2 LEU 38 3.622 -5.943 0.791 282 HD23 LEU 38 2HD2 LEU 38 2.286 -6.885 1.477 283 H PHE 39 H PHE 39 2.654 -2.689 1.514 284 HA PHE 39 HA PHE 39 1.002 -3.272 -0.804 285 HB2 PHE 39 2HB PHE 39 1.383 -0.453 0.229 286 HB3 PHE 39 3HB PHE 39 1.315 -0.676 -1.500 287 HD1 PHE 39 1HD PHE 39 -0.576 -2.383 -2.354 288 HD2 PHE 39 2HD PHE 39 -0.661 -0.167 1.316 289 HE1 PHE 39 1HE PHE 39 -3.044 -2.744 -2.181 290 HE2 PHE 39 2HE PHE 39 -3.108 -0.484 1.469 291 HZ PHE 39 HZ PHE 39 -4.316 -1.704 -0.395 292 H HIS 40 H HIS 40 2.177 -1.951 -2.731 293 HA HIS 40 HA HIS 40 4.902 -2.905 -3.014 294 HB2 HIS 40 1HB HIS 40 2.897 -1.332 -4.502 295 HB3 HIS 40 2HB HIS 40 4.552 -0.776 -4.780 296 HD2 HIS 40 2HD HIS 40 6.096 -3.425 -5.398 297 HE1 HIS 40 1HE HIS 40 3.176 -3.705 -8.491 298 HE2 HIS 40 2HE HIS 40 5.495 -4.434 -7.724 299 H GLN 41 H GLN 41 6.759 -1.653 -2.691 300 HA GLN 41 HA GLN 41 6.593 0.566 -0.884 301 HB2 GLN 41 2HB GLN 41 8.459 -1.001 -1.023 302 HB3 GLN 41 3HB GLN 41 8.897 -0.441 -2.637 303 HG2 GLN 41 2HG GLN 41 8.905 1.300 -0.122 304 HG3 GLN 41 3HG GLN 41 10.296 0.350 -0.656 305 HE21 GLN 41 1HE2 GLN 41 10.774 3.012 -0.351 306 HE22 GLN 41 2HE2 GLN 41 10.850 3.760 -1.942 307 H VAL 42 H VAL 42 7.534 0.410 -4.340 308 HA VAL 42 HA VAL 42 7.551 3.160 -4.741 309 HB VAL 42 HB VAL 42 8.029 0.950 -6.254 310 HG11 VAL 42 1HG1 VAL 42 5.655 0.661 -6.934 311 HG12 VAL 42 2HG1 VAL 42 5.709 2.267 -7.707 312 HG13 VAL 42 3HG1 VAL 42 6.744 0.961 -8.297 313 HG21 VAL 42 3HG2 VAL 42 7.724 3.810 -7.244 314 HG22 VAL 42 1HG2 VAL 42 9.164 3.089 -6.487 315 HG23 VAL 42 2HG2 VAL 42 8.630 2.528 -8.081 316 H CYS 43 H CYS 43 4.821 1.133 -4.267 317 HA CYS 43 HA CYS 43 2.867 3.041 -5.621 318 HB2 CYS 43 2HB CYS 43 2.579 0.592 -3.924 319 HB3 CYS 43 3HB CYS 43 1.258 1.605 -4.434 320 H VAL 44 H VAL 44 4.139 2.227 -2.293 321 HA VAL 44 HA VAL 44 2.070 3.628 -0.964 322 HB VAL 44 HB VAL 44 4.242 2.064 -0.297 323 HG11 VAL 44 1HG1 VAL 44 5.652 3.377 1.230 324 HG12 VAL 44 2HG1 VAL 44 5.825 3.918 -0.444 325 HG13 VAL 44 3HG1 VAL 44 4.876 4.866 0.737 326 HG21 VAL 44 3HG2 VAL 44 2.616 3.864 1.526 327 HG22 VAL 44 1HG2 VAL 44 2.157 2.250 0.923 328 HG23 VAL 44 2HG2 VAL 44 3.536 2.419 2.027 329 H ASP 45 H ASP 45 4.849 4.548 -2.763 330 HA ASP 45 HA ASP 45 5.106 7.292 -1.758 331 HB2 ASP 45 2HB ASP 45 7.059 6.301 -2.807 332 HB3 ASP 45 3HB ASP 45 6.147 5.855 -4.240 333 H GLN 46 H GLN 46 4.180 6.270 -5.100 334 HA GLN 46 HA GLN 46 2.957 8.716 -5.672 335 HB2 GLN 46 2HB GLN 46 2.254 5.985 -6.834 336 HB3 GLN 46 3HB GLN 46 1.819 7.557 -7.531 337 HG2 GLN 46 2HG GLN 46 4.295 8.120 -7.589 338 HG3 GLN 46 3HG GLN 46 4.632 6.439 -7.148 339 HE21 GLN 46 1HE2 GLN 46 5.652 7.479 -9.533 340 HE22 GLN 46 2HE2 GLN 46 4.771 6.750 -10.874 341 H TRP 47 H TRP 47 1.656 6.054 -3.832 342 HA TRP 47 HA TRP 47 -1.076 6.916 -3.870 343 HB2 TRP 47 2HB TRP 47 -0.322 4.636 -3.205 344 HB3 TRP 47 3HB TRP 47 0.381 5.314 -1.732 345 HD1 TRP 47 HD1 TRP 47 -1.214 4.902 0.223 346 HE1 TRP 47 HE1 TRP 47 -3.767 4.825 0.572 347 HE3 TRP 47 HE3 TRP 47 -2.791 6.007 -4.551 348 HZ2 TRP 47 HZ2 TRP 47 -6.092 4.889 -1.035 349 HZ3 TRP 47 HZ3 TRP 47 -5.160 6.179 -5.051 350 HH2 TRP 47 HH2 TRP 47 -6.875 5.564 -3.331 351 H LEU 48 H LEU 48 1.480 7.296 -1.324 352 HA LEU 48 HA LEU 48 0.171 9.117 0.274 353 HB2 LEU 48 2HB LEU 48 3.003 8.404 -0.382 354 HB3 LEU 48 3HB LEU 48 2.806 9.943 0.337 355 HG LEU 48 HG LEU 48 1.823 7.298 1.504 356 HD11 LEU 48 1HD1 LEU 48 3.554 7.701 3.195 357 HD12 LEU 48 2HD1 LEU 48 4.272 7.691 1.571 358 HD13 LEU 48 3HD1 LEU 48 3.993 9.235 2.408 359 HD21 LEU 48 3HD2 LEU 48 1.461 8.744 3.604 360 HD22 LEU 48 1HD2 LEU 48 1.511 10.151 2.520 361 HD23 LEU 48 2HD2 LEU 48 0.255 8.902 2.337 362 H ILE 49 H ILE 49 1.863 9.826 -2.835 363 HA ILE 49 HA ILE 49 1.606 12.638 -2.675 364 HB ILE 49 HB ILE 49 1.706 10.760 -5.038 365 HG12 ILE 49 2HG1 ILE 49 3.658 10.519 -3.593 366 HG13 ILE 49 3HG1 ILE 49 4.023 11.188 -5.159 367 HG21 ILE 49 1HG2 ILE 49 1.996 13.761 -4.903 368 HG22 ILE 49 2HG2 ILE 49 2.572 12.767 -6.269 369 HG23 ILE 49 3HG2 ILE 49 0.849 12.813 -5.865 370 HD11 ILE 49 3HD1 ILE 49 3.741 12.736 -2.573 371 HD12 ILE 49 1HD1 ILE 49 5.258 12.331 -3.403 372 HD13 ILE 49 2HD1 ILE 49 4.106 13.449 -4.168 373 H THR 50 H THR 50 -0.711 10.103 -3.818 374 HA THR 50 HA THR 50 -2.647 12.193 -4.575 375 HB THR 50 HB THR 50 -4.028 10.153 -5.194 376 HG1 THR 50 1HG THR 50 -1.572 8.763 -5.011 377 HG21 THR 50 1HG2 THR 50 -1.283 10.403 -6.510 378 HG22 THR 50 2HG2 THR 50 -2.738 9.686 -7.232 379 HG23 THR 50 3HG2 THR 50 -2.697 11.422 -6.862 380 H ASN 51 H ASN 51 -3.039 9.194 -2.659 381 HA ASN 51 HA ASN 51 -4.931 10.645 -0.873 382 HB2 ASN 51 2HB ASN 51 -4.598 7.836 -1.830 383 HB3 ASN 51 3HB ASN 51 -5.182 8.028 -0.182 384 HD21 ASN 51 1HD2 ASN 51 -7.389 8.158 0.025 385 HD22 ASN 51 2HD2 ASN 51 -8.433 8.771 -1.260 386 H LYS 52 H LYS 52 -3.840 11.525 0.827 387 HA LYS 52 HA LYS 52 -1.708 10.113 2.241 388 HB2 LYS 52 2HB LYS 52 -3.366 12.571 2.936 389 HB3 LYS 52 3HB LYS 52 -1.977 12.005 3.880 390 HG2 LYS 52 2HG LYS 52 -0.457 12.329 2.022 391 HG3 LYS 52 3HG LYS 52 -1.797 12.705 0.921 392 HD2 LYS 52 2HD LYS 52 -2.383 14.660 2.401 393 HD3 LYS 52 3HD LYS 52 -0.863 14.375 3.288 394 HE2 LYS 52 2HE LYS 52 0.446 14.699 1.270 395 HE3 LYS 52 3HE LYS 52 -1.005 14.682 0.257 396 HZ1 LYS 52 3HZ LYS 52 -0.234 16.914 0.614 397 HZ2 LYS 52 1HZ LYS 52 -1.704 16.723 1.326 398 HZ3 LYS 52 2HZ LYS 52 -0.337 16.749 2.254 399 H LYS 53 H LYS 53 -4.241 8.537 2.003 400 HA LYS 53 HA LYS 53 -4.754 8.090 4.865 401 HB2 LYS 53 2HB LYS 53 -6.934 8.297 2.714 402 HB3 LYS 53 3HB LYS 53 -7.139 7.719 4.364 403 HG2 LYS 53 2HG LYS 53 -6.215 9.937 5.159 404 HG3 LYS 53 3HG LYS 53 -6.379 10.551 3.520 405 HD2 LYS 53 2HD LYS 53 -8.695 9.224 4.984 406 HD3 LYS 53 3HD LYS 53 -8.336 10.939 5.222 407 HE2 LYS 53 2HE LYS 53 -8.519 9.826 2.435 408 HE3 LYS 53 3HE LYS 53 -10.012 10.197 3.322 409 HZ1 LYS 53 3HZ LYS 53 -7.824 12.145 2.982 410 HZ2 LYS 53 1HZ LYS 53 -9.145 12.087 1.985 411 HZ3 LYS 53 2HZ LYS 53 -9.309 12.431 3.590 412 H CYS 54 H CYS 54 -5.740 5.992 5.129 413 HA CYS 54 HA CYS 54 -4.164 3.991 3.603 414 HB2 CYS 54 2HB CYS 54 -5.783 4.055 5.975 415 HB3 CYS 54 3HB CYS 54 -6.352 2.752 4.909 416 HA PRO 55 HA PRO 55 -7.342 3.574 0.438 417 HB2 PRO 55 2HB PRO 55 -6.349 1.092 -0.529 418 HB3 PRO 55 3HB PRO 55 -6.035 2.679 -1.213 419 HG2 PRO 55 2HG PRO 55 -4.241 0.939 0.162 420 HG3 PRO 55 3HG PRO 55 -3.906 2.564 -0.448 421 HD2 PRO 55 2HD PRO 55 -4.434 1.698 2.320 422 HD3 PRO 55 3HD PRO 55 -3.700 3.208 1.725 423 H ILE 56 H ILE 56 -6.549 1.204 2.969 424 HA ILE 56 HA ILE 56 -9.077 -0.233 2.493 425 HB ILE 56 HB ILE 56 -6.780 -0.833 4.402 426 HG12 ILE 56 2HG1 ILE 56 -6.860 -2.917 2.731 427 HG13 ILE 56 3HG1 ILE 56 -7.551 -1.750 1.616 428 HG21 ILE 56 1HG2 ILE 56 -8.932 -1.646 5.295 429 HG22 ILE 56 2HG2 ILE 56 -9.332 -2.357 3.715 430 HG23 ILE 56 3HG2 ILE 56 -7.986 -3.001 4.680 431 HD11 ILE 56 3HD1 ILE 56 -4.973 -1.163 3.137 432 HD12 ILE 56 1HD1 ILE 56 -4.995 -2.092 1.634 433 HD13 ILE 56 2HD1 ILE 56 -5.569 -0.413 1.639 434 H CYS 57 H CYS 57 -7.481 0.732 5.592 435 HA CYS 57 HA CYS 57 -9.985 1.029 6.921 436 HB2 CYS 57 2HB CYS 57 -8.636 2.107 8.679 437 HB3 CYS 57 3HB CYS 57 -8.134 0.515 8.257 438 H ARG 58 H ARG 58 -8.462 3.246 4.707 439 HA ARG 58 HA ARG 58 -9.120 5.268 3.950 440 HB2 ARG 58 2HB ARG 58 -11.338 3.602 4.216 441 HB3 ARG 58 3HB ARG 58 -11.903 5.097 4.927 442 HG2 ARG 58 2HG ARG 58 -10.652 4.698 2.170 443 HG3 ARG 58 3HG ARG 58 -12.361 4.948 2.507 444 HD2 ARG 58 2HD ARG 58 -10.816 7.165 3.626 445 HD3 ARG 58 3HD ARG 58 -10.352 6.897 1.959 446 HE ARG 58 HE ARG 58 -12.420 7.551 1.231 447 HH11 ARG 58 2HH2 ARG 58 -12.498 7.194 4.769 448 HH12 ARG 58 1HH2 ARG 58 -14.129 7.741 4.930 449 HH21 ARG 58 2HH1 ARG 58 -14.560 8.389 1.449 450 HH22 ARG 58 1HH1 ARG 58 -15.309 8.497 2.996 451 H VAL 59 H VAL 59 -7.818 5.366 6.435 452 HA VAL 59 HA VAL 59 -8.901 7.951 7.396 453 HB VAL 59 HB VAL 59 -8.313 7.496 9.563 454 HG11 VAL 59 1HG1 VAL 59 -9.625 5.573 10.202 455 HG12 VAL 59 2HG1 VAL 59 -10.326 6.221 8.695 456 HG13 VAL 59 3HG1 VAL 59 -9.264 4.785 8.650 457 HG21 VAL 59 3HG2 VAL 59 -6.159 6.543 9.464 458 HG22 VAL 59 1HG2 VAL 59 -7.164 5.406 10.367 459 HG23 VAL 59 2HG2 VAL 59 -6.757 5.058 8.671 460 H ASP 60 H ASP 60 -7.173 9.438 8.125 461 HA ASP 60 HA ASP 60 -4.820 9.161 6.523 462 HB2 ASP 60 2HB ASP 60 -5.221 11.112 8.838 463 HB3 ASP 60 3HB ASP 60 -4.273 11.316 7.387 464 H ILE 61 H ILE 61 -3.063 8.004 7.107 465 HA ILE 61 HA ILE 61 -2.899 6.525 9.386 466 HB ILE 61 HB ILE 61 -0.563 7.622 7.794 467 HG12 ILE 61 2HG1 ILE 61 -0.984 5.204 6.714 468 HG13 ILE 61 3HG1 ILE 61 -2.652 5.504 7.150 469 HG21 ILE 61 1HG2 ILE 61 -0.993 5.096 9.405 470 HG22 ILE 61 2HG2 ILE 61 0.421 5.431 8.370 471 HG23 ILE 61 3HG2 ILE 61 0.107 6.439 9.796 472 HD11 ILE 61 3HD1 ILE 61 -2.813 7.194 5.520 473 HD12 ILE 61 1HD1 ILE 61 -1.081 7.605 5.645 474 HD13 ILE 61 2HD1 ILE 61 -1.606 6.144 4.786 475 H GLU 62 H GLU 62 -1.894 9.864 8.896 476 HA GLU 62 HA GLU 62 -2.309 10.706 11.368 477 HB2 GLU 62 2HB GLU 62 0.313 9.424 11.379 478 HB3 GLU 62 3HB GLU 62 0.528 11.164 11.578 479 HG2 GLU 62 2HG GLU 62 -1.222 11.174 13.352 480 HG3 GLU 62 3HG GLU 62 -1.337 9.418 13.238 481 H ALA 63 H ALA 63 -1.147 13.039 11.640 482 HA ALA 63 HA ALA 63 -1.209 14.288 8.946 483 HB1 ALA 63 1HB ALA 63 -1.114 15.482 11.754 484 HB2 ALA 63 2HB ALA 63 -1.137 16.413 10.242 485 HB3 ALA 63 3HB ALA 63 -2.535 15.407 10.681 486 H GLN 64 H GLN 64 0.615 15.306 8.104 487 HA GLN 64 HA GLN 64 3.194 14.468 9.101 488 HB2 GLN 64 2HB GLN 64 4.175 15.934 7.444 489 HB3 GLN 64 3HB GLN 64 2.994 14.848 6.747 490 HG2 GLN 64 2HG GLN 64 2.421 17.792 7.324 491 HG3 GLN 64 3HG GLN 64 3.076 17.192 5.817 492 HE21 GLN 64 1HE2 GLN 64 0.167 17.541 7.716 493 HE22 GLN 64 2HE2 GLN 64 -0.911 16.838 6.507 494 H LEU 65 H LEU 65 4.085 15.185 10.906 495 HA LEU 65 HA LEU 65 3.548 17.729 12.135 496 HB2 LEU 65 2HB LEU 65 5.290 15.404 12.663 497 HB3 LEU 65 3HB LEU 65 6.047 16.939 13.091 498 HG LEU 65 HG LEU 65 3.262 16.169 14.032 499 HD11 LEU 65 1HD1 LEU 65 5.951 15.853 15.445 500 HD12 LEU 65 2HD1 LEU 65 4.354 15.591 16.182 501 HD13 LEU 65 3HD1 LEU 65 4.906 14.532 14.875 502 HD21 LEU 65 3HD2 LEU 65 5.286 18.243 15.018 503 HD22 LEU 65 1HD2 LEU 65 3.800 18.609 14.119 504 HD23 LEU 65 2HD2 LEU 65 3.698 17.912 15.741 505 HA PRO 66 HA PRO 66 7.442 19.353 10.048 506 HB2 PRO 66 2HB PRO 66 9.085 17.846 8.501 507 HB3 PRO 66 3HB PRO 66 9.116 17.693 10.288 508 HG2 PRO 66 2HG PRO 66 7.629 15.947 8.297 509 HG3 PRO 66 3HG PRO 66 8.702 15.423 9.636 510 HD2 PRO 66 2HD PRO 66 5.970 15.554 9.846 511 HD3 PRO 66 3HD PRO 66 7.037 15.865 11.250 512 H SER 67 H SER 67 8.017 20.139 7.781 513 HA SER 67 HA SER 67 6.155 19.294 5.663 514 HB2 SER 67 2HB SER 67 4.772 20.751 7.044 515 HB3 SER 67 3HB SER 67 6.044 21.983 7.089 516 HG SER 67 HG SER 67 5.818 22.246 4.877 517 H GLU 68 H GLU 68 8.305 18.769 4.747 518 HA GLU 68 HA GLU 68 9.397 21.038 3.282 519 HB2 GLU 68 2HB GLU 68 10.807 20.592 5.442 520 HB3 GLU 68 3HB GLU 68 11.225 19.051 4.700 521 HG2 GLU 68 2HG GLU 68 13.013 20.545 4.234 522 HG3 GLU 68 3HG GLU 68 12.146 20.374 2.714 523 H SER 69 H SER 69 10.721 19.992 1.319 524 HA SER 69 HA SER 69 10.345 17.173 0.935 525 HB2 SER 69 2HB SER 69 8.086 18.105 0.263 526 HB3 SER 69 3HB SER 69 8.924 19.081 -0.967 527 HG SER 69 HG SER 69 9.843 16.981 -1.636 Start of MODEL 20 1 H1 MET 1 H1 MET 1 6.386 -2.154 17.650 2 H2 MET 1 H2 MET 1 5.937 -0.959 16.597 3 H3 MET 1 H3 MET 1 6.081 -0.647 18.212 4 HA MET 1 HA MET 1 3.761 -0.847 17.595 5 HB2 MET 1 2HB MET 1 4.586 -3.721 16.941 6 HB3 MET 1 3HB MET 1 2.930 -3.113 17.042 7 HG2 MET 1 2HG MET 1 3.461 -3.173 14.738 8 HG3 MET 1 3HG MET 1 3.471 -1.477 15.211 9 HE1 MET 1 3HE MET 1 4.711 -0.723 13.014 10 HE2 MET 1 1HE MET 1 5.231 0.105 14.500 11 HE3 MET 1 2HE MET 1 6.438 -0.399 13.297 12 H LYS 2 H LYS 2 2.389 -1.469 19.442 13 HA LYS 2 HA LYS 2 3.833 -2.476 21.783 14 HB2 LYS 2 2HB LYS 2 0.886 -2.003 21.134 15 HB3 LYS 2 3HB LYS 2 1.403 -2.792 22.620 16 HG2 LYS 2 2HG LYS 2 2.240 0.022 21.794 17 HG3 LYS 2 3HG LYS 2 0.933 -0.380 22.916 18 HD2 LYS 2 2HD LYS 2 2.695 -1.640 24.312 19 HD3 LYS 2 3HD LYS 2 3.909 -0.840 23.290 20 HE2 LYS 2 2HE LYS 2 2.314 1.291 23.956 21 HE3 LYS 2 3HE LYS 2 2.082 0.275 25.385 22 HZ1 LYS 2 3HZ LYS 2 4.664 1.241 24.326 23 HZ2 LYS 2 1HZ LYS 2 3.918 1.755 25.697 24 HZ3 LYS 2 2HZ LYS 2 4.509 0.222 25.613 25 H GLN 3 H GLN 3 3.660 -4.608 22.593 26 HA GLN 3 HA GLN 3 2.290 -6.632 21.018 27 HB2 GLN 3 2HB GLN 3 5.294 -6.542 21.516 28 HB3 GLN 3 3HB GLN 3 4.433 -8.086 21.440 29 HG2 GLN 3 2HG GLN 3 3.629 -7.609 19.188 30 HG3 GLN 3 3HG GLN 3 4.396 -6.012 19.211 31 HE21 GLN 3 1HE2 GLN 3 6.791 -5.899 19.243 32 HE22 GLN 3 2HE2 GLN 3 7.685 -7.310 18.673 33 H ASP 4 H ASP 4 1.662 -8.318 22.431 34 HA ASP 4 HA ASP 4 2.301 -8.103 25.274 35 HB2 ASP 4 2HB ASP 4 -0.449 -7.679 24.027 36 HB3 ASP 4 3HB ASP 4 -0.239 -8.239 25.689 37 H GLY 5 H GLY 5 1.088 -10.111 26.309 38 HA2 GLY 5 2HA GLY 5 2.294 -12.324 25.093 39 HA3 GLY 5 3HA GLY 5 1.078 -12.428 26.378 40 H GLU 6 H GLU 6 -1.289 -11.725 25.298 41 HA GLU 6 HA GLU 6 -1.711 -13.767 23.279 42 HB2 GLU 6 2HB GLU 6 -3.093 -13.619 25.332 43 HB3 GLU 6 3HB GLU 6 -3.715 -12.051 24.798 44 HG2 GLU 6 2HG GLU 6 -4.798 -13.076 22.876 45 HG3 GLU 6 3HG GLU 6 -3.903 -14.585 23.111 46 H GLU 7 H GLU 7 -0.416 -12.519 21.697 47 HA GLU 7 HA GLU 7 -1.498 -9.983 20.790 48 HB2 GLU 7 2HB GLU 7 0.273 -9.936 19.227 49 HB3 GLU 7 3HB GLU 7 0.917 -10.606 20.702 50 HG2 GLU 7 2HG GLU 7 1.760 -12.283 19.499 51 HG3 GLU 7 3HG GLU 7 0.127 -12.912 19.323 52 H GLY 8 H GLY 8 -1.889 -9.752 18.327 53 HA2 GLY 8 2HA GLY 8 -2.859 -11.306 16.503 54 HA3 GLY 8 3HA GLY 8 -4.184 -11.510 17.676 55 H THR 9 H THR 9 -2.571 -9.191 15.453 56 HA THR 9 HA THR 9 -4.330 -6.990 16.166 57 HB THR 9 HB THR 9 -3.469 -6.068 14.034 58 HG1 THR 9 1HG THR 9 -2.150 -7.240 12.809 59 HG21 THR 9 1HG2 THR 9 -1.176 -5.686 14.909 60 HG22 THR 9 2HG2 THR 9 -2.396 -5.563 16.191 61 HG23 THR 9 3HG2 THR 9 -1.391 -7.024 16.057 62 H GLU 10 H GLU 10 -6.030 -6.212 14.744 63 HA GLU 10 HA GLU 10 -7.286 -8.369 13.107 64 HB2 GLU 10 2HB GLU 10 -8.372 -7.655 15.356 65 HB3 GLU 10 3HB GLU 10 -8.813 -6.160 14.514 66 HG2 GLU 10 2HG GLU 10 -9.922 -7.598 12.731 67 HG3 GLU 10 3HG GLU 10 -9.522 -9.021 13.691 68 H GLU 11 H GLU 11 -5.239 -6.609 12.198 69 HA GLU 11 HA GLU 11 -6.632 -5.369 10.007 70 HB2 GLU 11 2HB GLU 11 -6.425 -3.582 11.921 71 HB3 GLU 11 3HB GLU 11 -4.676 -3.711 11.647 72 HG2 GLU 11 2HG GLU 11 -5.463 -1.803 10.467 73 HG3 GLU 11 3HG GLU 11 -5.017 -3.026 9.285 74 H ASP 12 H ASP 12 -5.283 -5.467 8.284 75 HA ASP 12 HA ASP 12 -2.835 -5.190 7.511 76 HB2 ASP 12 2HB ASP 12 -2.685 -7.717 9.210 77 HB3 ASP 12 3HB ASP 12 -1.732 -7.538 7.748 78 H THR 13 H THR 13 -2.602 -5.805 5.582 79 HA THR 13 HA THR 13 -4.255 -7.910 4.330 80 HB THR 13 HB THR 13 -5.693 -5.880 4.522 81 HG1 THR 13 1HG THR 13 -6.178 -5.910 2.194 82 HG21 THR 13 1HG2 THR 13 -5.184 -3.864 3.605 83 HG22 THR 13 2HG2 THR 13 -3.523 -4.415 3.892 84 HG23 THR 13 3HG2 THR 13 -4.231 -4.559 2.277 85 H GLU 14 H GLU 14 -1.774 -8.362 4.527 86 HA GLU 14 HA GLU 14 -0.135 -6.730 2.780 87 HB2 GLU 14 2HB GLU 14 1.703 -8.190 3.593 88 HB3 GLU 14 3HB GLU 14 0.747 -7.520 4.915 89 HG2 GLU 14 2HG GLU 14 -0.288 -9.600 5.389 90 HG3 GLU 14 3HG GLU 14 0.210 -10.310 3.849 91 H GLU 15 H GLU 15 -2.140 -7.891 1.176 92 HA GLU 15 HA GLU 15 -0.696 -9.741 -0.508 93 HB2 GLU 15 2HB GLU 15 -2.628 -10.526 1.573 94 HB3 GLU 15 3HB GLU 15 -3.253 -10.917 -0.017 95 HG2 GLU 15 2HG GLU 15 -1.000 -12.009 -0.523 96 HG3 GLU 15 3HG GLU 15 -0.647 -11.874 1.214 97 H LYS 16 H LYS 16 -1.417 -9.490 -2.578 98 HA LYS 16 HA LYS 16 -2.384 -8.590 -4.402 99 HB2 LYS 16 2HB LYS 16 -4.985 -8.454 -2.820 100 HB3 LYS 16 3HB LYS 16 -4.780 -8.361 -4.558 101 HG2 LYS 16 2HG LYS 16 -5.593 -10.512 -4.121 102 HG3 LYS 16 3HG LYS 16 -3.887 -10.746 -4.509 103 HD2 LYS 16 2HD LYS 16 -3.306 -11.264 -2.327 104 HD3 LYS 16 3HD LYS 16 -4.762 -10.480 -1.644 105 HE2 LYS 16 2HE LYS 16 -6.202 -12.211 -2.480 106 HE3 LYS 16 3HE LYS 16 -4.900 -12.929 -3.442 107 HZ1 LYS 16 3HZ LYS 16 -4.796 -12.835 -0.484 108 HZ2 LYS 16 1HZ LYS 16 -5.377 -14.118 -1.332 109 HZ3 LYS 16 2HZ LYS 16 -3.825 -13.655 -1.479 110 H CYS 17 H CYS 17 -1.289 -6.686 -4.596 111 HA CYS 17 HA CYS 17 -1.693 -4.349 -3.087 112 HB2 CYS 17 2HB CYS 17 0.266 -4.825 -4.464 113 HB3 CYS 17 3HB CYS 17 -0.711 -4.639 -5.918 114 H THR 18 H THR 18 -2.851 -2.444 -3.609 115 HA THR 18 HA THR 18 -5.200 -2.841 -5.402 116 HB THR 18 HB THR 18 -6.390 -1.371 -3.852 117 HG1 THR 18 1HG THR 18 -4.370 -1.781 -1.980 118 HG21 THR 18 1HG2 THR 18 -6.703 -2.989 -2.006 119 HG22 THR 18 2HG2 THR 18 -6.609 -3.822 -3.570 120 HG23 THR 18 3HG2 THR 18 -5.212 -3.833 -2.480 121 H ILE 19 H ILE 19 -2.592 -0.663 -4.399 122 HA ILE 19 HA ILE 19 -3.661 1.685 -5.623 123 HB ILE 19 HB ILE 19 -0.898 0.746 -4.707 124 HG12 ILE 19 2HG1 ILE 19 -1.482 2.873 -3.167 125 HG13 ILE 19 3HG1 ILE 19 -3.134 2.412 -3.530 126 HG21 ILE 19 1HG2 ILE 19 -0.508 2.326 -6.505 127 HG22 ILE 19 2HG2 ILE 19 -1.631 3.489 -5.752 128 HG23 ILE 19 3HG2 ILE 19 -0.102 3.036 -4.949 129 HD11 ILE 19 3HD1 ILE 19 -1.016 0.514 -2.432 130 HD12 ILE 19 1HD1 ILE 19 -2.079 1.492 -1.411 131 HD13 ILE 19 2HD1 ILE 19 -2.786 0.262 -2.472 132 H CYS 20 H CYS 20 -1.662 -1.044 -6.686 133 HA CYS 20 HA CYS 20 -1.434 0.148 -9.420 134 HB2 CYS 20 2HB CYS 20 -0.040 -1.951 -9.749 135 HB3 CYS 20 3HB CYS 20 0.615 -0.649 -8.751 136 H LEU 21 H LEU 21 -3.926 -0.922 -8.028 137 HA LEU 21 HA LEU 21 -5.610 -2.458 -8.287 138 HB2 LEU 21 2HB LEU 21 -5.313 -0.924 -10.772 139 HB3 LEU 21 3HB LEU 21 -6.440 -2.279 -10.759 140 HG LEU 21 HG LEU 21 -7.228 -1.266 -8.457 141 HD11 LEU 21 1HD1 LEU 21 -7.278 1.184 -8.531 142 HD12 LEU 21 2HD1 LEU 21 -5.603 0.599 -8.512 143 HD13 LEU 21 3HD1 LEU 21 -6.317 1.184 -10.031 144 HD21 LEU 21 3HD2 LEU 21 -9.036 -0.140 -9.719 145 HD22 LEU 21 1HD2 LEU 21 -8.067 -0.270 -11.209 146 HD23 LEU 21 2HD2 LEU 21 -8.646 -1.734 -10.382 147 H SER 22 H SER 22 -3.325 -4.014 -8.189 148 HA SER 22 HA SER 22 -4.252 -6.333 -9.636 149 HB2 SER 22 2HB SER 22 -3.000 -4.962 -11.414 150 HB3 SER 22 3HB SER 22 -1.520 -5.312 -10.499 151 HG SER 22 HG SER 22 -2.168 -6.815 -12.242 152 H ILE 23 H ILE 23 -2.442 -8.159 -9.429 153 HA ILE 23 HA ILE 23 -2.139 -8.451 -6.603 154 HB ILE 23 HB ILE 23 -1.007 -10.612 -7.439 155 HG12 ILE 23 2HG1 ILE 23 -0.876 -9.351 -9.870 156 HG13 ILE 23 3HG1 ILE 23 -0.792 -11.051 -9.565 157 HG21 ILE 23 1HG2 ILE 23 -3.230 -10.408 -6.486 158 HG22 ILE 23 2HG2 ILE 23 -3.919 -9.977 -8.045 159 HG23 ILE 23 3HG2 ILE 23 -3.216 -11.601 -7.780 160 HD11 ILE 23 3HD1 ILE 23 -3.389 -9.641 -10.216 161 HD12 ILE 23 1HD1 ILE 23 -2.382 -10.536 -11.375 162 HD13 ILE 23 2HD1 ILE 23 -3.130 -11.390 -10.014 163 H LEU 24 H LEU 24 -0.091 -8.920 -5.496 164 HA LEU 24 HA LEU 24 2.031 -7.131 -6.252 165 HB2 LEU 24 2HB LEU 24 1.521 -9.212 -4.094 166 HB3 LEU 24 3HB LEU 24 3.153 -8.682 -4.388 167 HG LEU 24 HG LEU 24 0.845 -6.874 -3.692 168 HD11 LEU 24 1HD1 LEU 24 1.998 -6.532 -1.538 169 HD12 LEU 24 2HD1 LEU 24 1.592 -8.247 -1.763 170 HD13 LEU 24 3HD1 LEU 24 3.259 -7.685 -2.022 171 HD21 LEU 24 3HD2 LEU 24 3.792 -6.272 -4.131 172 HD22 LEU 24 1HD2 LEU 24 2.386 -5.575 -4.972 173 HD23 LEU 24 2HD2 LEU 24 2.685 -5.164 -3.292 174 H GLU 25 H GLU 25 4.260 -7.958 -6.370 175 HA GLU 25 HA GLU 25 4.597 -10.476 -7.811 176 HB2 GLU 25 2HB GLU 25 5.777 -9.402 -9.687 177 HB3 GLU 25 3HB GLU 25 4.055 -8.986 -9.646 178 HG2 GLU 25 2HG GLU 25 4.558 -6.845 -8.583 179 HG3 GLU 25 3HG GLU 25 6.274 -7.249 -8.497 180 H GLU 26 H GLU 26 6.865 -11.151 -7.787 181 HA GLU 26 HA GLU 26 8.520 -9.904 -5.771 182 HB2 GLU 26 2HB GLU 26 8.821 -12.290 -7.629 183 HB3 GLU 26 3HB GLU 26 10.131 -11.726 -6.569 184 HG2 GLU 26 2HG GLU 26 8.785 -12.071 -4.585 185 HG3 GLU 26 3HG GLU 26 7.356 -12.456 -5.550 186 H GLY 27 H GLY 27 8.378 -7.819 -6.972 187 HA2 GLY 27 2HA GLY 27 10.095 -7.655 -9.405 188 HA3 GLY 27 3HA GLY 27 9.023 -6.391 -8.785 189 H GLU 28 H GLU 28 9.667 -5.692 -6.346 190 HA GLU 28 HA GLU 28 12.529 -5.795 -5.855 191 HB2 GLU 28 2HB GLU 28 11.600 -3.724 -7.307 192 HB3 GLU 28 3HB GLU 28 11.120 -3.156 -5.712 193 HG2 GLU 28 2HG GLU 28 13.681 -4.077 -5.211 194 HG3 GLU 28 3HG GLU 28 13.846 -3.617 -6.903 195 H ASP 29 H ASP 29 12.208 -3.745 -3.833 196 HA ASP 29 HA ASP 29 11.348 -5.571 -1.714 197 HB2 ASP 29 2HB ASP 29 13.343 -3.912 -1.621 198 HB3 ASP 29 3HB ASP 29 12.129 -2.662 -1.324 199 H VAL 30 H VAL 30 9.695 -5.003 -0.098 200 HA VAL 30 HA VAL 30 7.573 -3.278 -1.198 201 HB VAL 30 HB VAL 30 6.019 -4.763 -0.094 202 HG11 VAL 30 1HG1 VAL 30 7.773 -6.144 -2.122 203 HG12 VAL 30 2HG1 VAL 30 6.016 -6.387 -1.851 204 HG13 VAL 30 3HG1 VAL 30 6.627 -4.840 -2.474 205 HG21 VAL 30 3HG2 VAL 30 6.656 -6.986 0.597 206 HG22 VAL 30 1HG2 VAL 30 8.354 -6.662 0.170 207 HG23 VAL 30 2HG2 VAL 30 7.595 -5.788 1.524 208 H ARG 31 H ARG 31 5.964 -2.729 0.636 209 HA ARG 31 HA ARG 31 7.264 -2.224 3.145 210 HB2 ARG 31 2HB ARG 31 7.991 -0.403 1.175 211 HB3 ARG 31 3HB ARG 31 6.644 0.404 1.938 212 HG2 ARG 31 2HG ARG 31 8.713 1.097 3.011 213 HG3 ARG 31 3HG ARG 31 7.878 0.039 4.179 214 HD2 ARG 31 2HD ARG 31 9.262 -1.856 3.524 215 HD3 ARG 31 3HD ARG 31 9.903 -0.952 2.134 216 HE ARG 31 HE ARG 31 10.568 0.339 4.597 217 HH11 ARG 31 2HH2 ARG 31 11.273 -2.463 2.516 218 HH12 ARG 31 1HH2 ARG 31 12.928 -2.515 2.752 219 HH21 ARG 31 2HH1 ARG 31 12.829 0.189 5.219 220 HH22 ARG 31 1HH1 ARG 31 13.836 -1.039 4.527 221 H ARG 32 H ARG 32 5.850 -1.171 4.769 222 HA ARG 32 HA ARG 32 3.075 -1.318 3.854 223 HB2 ARG 32 2HB ARG 32 2.545 -2.326 5.962 224 HB3 ARG 32 3HB ARG 32 3.830 -3.234 5.177 225 HG2 ARG 32 2HG ARG 32 5.448 -1.900 6.717 226 HG3 ARG 32 3HG ARG 32 3.981 -1.482 7.638 227 HD2 ARG 32 2HD ARG 32 3.447 -3.929 7.804 228 HD3 ARG 32 3HD ARG 32 4.932 -4.282 6.898 229 HE ARG 32 HE ARG 32 5.082 -2.763 9.432 230 HH11 ARG 32 2HH2 ARG 32 5.657 -5.851 7.780 231 HH12 ARG 32 1HH2 ARG 32 6.786 -6.443 8.936 232 HH21 ARG 32 2HH1 ARG 32 6.539 -3.583 11.036 233 HH22 ARG 32 1HH1 ARG 32 7.264 -5.137 10.847 234 H LEU 33 H LEU 33 1.566 -0.058 4.785 235 HA LEU 33 HA LEU 33 2.338 2.694 5.178 236 HB2 LEU 33 2HB LEU 33 -0.235 1.125 5.630 237 HB3 LEU 33 3HB LEU 33 -0.137 2.884 5.746 238 HG LEU 33 HG LEU 33 0.727 1.542 3.245 239 HD11 LEU 33 1HD1 LEU 33 -1.375 0.473 3.642 240 HD12 LEU 33 2HD1 LEU 33 -2.150 2.017 4.071 241 HD13 LEU 33 3HD1 LEU 33 -1.625 1.707 2.396 242 HD21 LEU 33 3HD2 LEU 33 -0.072 3.618 2.214 243 HD22 LEU 33 1HD2 LEU 33 -0.749 4.158 3.765 244 HD23 LEU 33 2HD2 LEU 33 1.012 4.016 3.561 245 HA PRO 34 HA PRO 34 3.137 2.102 9.496 246 HB2 PRO 34 2HB PRO 34 2.537 4.753 10.373 247 HB3 PRO 34 3HB PRO 34 4.110 4.044 9.932 248 HG2 PRO 34 2HG PRO 34 2.406 5.875 8.362 249 HG3 PRO 34 3HG PRO 34 4.134 5.515 8.172 250 HD2 PRO 34 2HD PRO 34 2.057 4.560 6.515 251 HD3 PRO 34 3HD PRO 34 3.719 3.904 6.597 252 H CYS 35 H CYS 35 -0.021 2.741 8.272 253 HA CYS 35 HA CYS 35 -1.487 2.736 10.797 254 HB2 CYS 35 2HB CYS 35 -3.380 2.214 9.527 255 HB3 CYS 35 3HB CYS 35 -2.519 3.479 8.671 256 H MET 36 H MET 36 -0.335 0.240 8.543 257 HA MET 36 HA MET 36 0.232 -1.873 10.027 258 HB2 MET 36 2HB MET 36 -2.631 -1.561 10.415 259 HB3 MET 36 3HB MET 36 -2.399 -2.901 9.332 260 HG2 MET 36 2HG MET 36 -2.365 -3.908 11.392 261 HG3 MET 36 3HG MET 36 -0.670 -3.823 10.961 262 HE1 MET 36 3HE MET 36 1.130 -2.612 12.327 263 HE2 MET 36 1HE MET 36 0.837 -2.592 14.083 264 HE3 MET 36 2HE MET 36 0.514 -4.072 13.146 265 H HIS 37 H HIS 37 -2.221 -1.317 7.444 266 HA HIS 37 HA HIS 37 -1.849 -3.604 6.080 267 HB2 HIS 37 1HB HIS 37 -2.616 -0.870 5.036 268 HB3 HIS 37 2HB HIS 37 -3.001 -2.340 4.230 269 HD2 HIS 37 2HD HIS 37 -4.554 -4.167 5.824 270 HE1 HIS 37 1HE HIS 37 -6.951 -1.029 7.345 271 HE2 HIS 37 2HE HIS 37 -6.826 -3.511 6.971 272 H LEU 38 H LEU 38 -0.831 -4.200 4.164 273 HA LEU 38 HA LEU 38 1.708 -2.686 3.686 274 HB2 LEU 38 2HB LEU 38 2.116 -4.676 4.908 275 HB3 LEU 38 3HB LEU 38 1.220 -5.631 3.758 276 HG LEU 38 HG LEU 38 3.697 -4.209 2.872 277 HD11 LEU 38 1HD1 LEU 38 4.898 -6.399 3.433 278 HD12 LEU 38 2HD1 LEU 38 4.458 -5.395 4.821 279 HD13 LEU 38 3HD1 LEU 38 3.487 -6.822 4.418 280 HD21 LEU 38 3HD2 LEU 38 3.911 -6.060 1.290 281 HD22 LEU 38 1HD2 LEU 38 2.572 -6.934 2.038 282 HD23 LEU 38 2HD2 LEU 38 2.264 -5.468 1.124 283 H PHE 39 H PHE 39 2.758 -2.729 1.676 284 HA PHE 39 HA PHE 39 1.252 -3.584 -0.683 285 HB2 PHE 39 2HB PHE 39 1.686 -0.666 0.089 286 HB3 PHE 39 3HB PHE 39 1.459 -1.127 -1.594 287 HD1 PHE 39 1HD PHE 39 -0.455 -2.890 -2.006 288 HD2 PHE 39 2HD PHE 39 -0.314 -0.159 1.309 289 HE1 PHE 39 1HE PHE 39 -2.902 -3.208 -1.644 290 HE2 PHE 39 2HE PHE 39 -2.764 -0.399 1.604 291 HZ PHE 39 HZ PHE 39 -4.069 -1.841 0.006 292 H HIS 40 H HIS 40 2.598 -2.368 -2.699 293 HA HIS 40 HA HIS 40 5.353 -3.277 -2.538 294 HB2 HIS 40 1HB HIS 40 3.983 -1.343 -4.423 295 HB3 HIS 40 2HB HIS 40 5.667 -1.733 -4.529 296 HD2 HIS 40 2HD HIS 40 6.317 -4.313 -5.197 297 HE1 HIS 40 1HE HIS 40 2.908 -4.552 -7.750 298 HE2 HIS 40 2HE HIS 40 5.199 -5.554 -7.213 299 H GLN 41 H GLN 41 7.200 -1.914 -2.288 300 HA GLN 41 HA GLN 41 6.921 0.325 -0.546 301 HB2 GLN 41 2HB GLN 41 8.964 -1.152 -0.754 302 HB3 GLN 41 3HB GLN 41 9.261 -0.518 -2.361 303 HG2 GLN 41 2HG GLN 41 9.024 1.514 -0.163 304 HG3 GLN 41 3HG GLN 41 10.408 0.421 -0.078 305 HE21 GLN 41 1HE2 GLN 41 12.245 1.380 -0.950 306 HE22 GLN 41 2HE2 GLN 41 12.190 2.359 -2.405 307 H VAL 42 H VAL 42 7.805 0.116 -3.970 308 HA VAL 42 HA VAL 42 7.785 2.889 -4.365 309 HB VAL 42 HB VAL 42 8.363 0.704 -5.874 310 HG11 VAL 42 1HG1 VAL 42 6.045 0.419 -6.700 311 HG12 VAL 42 2HG1 VAL 42 6.117 2.054 -7.409 312 HG13 VAL 42 3HG1 VAL 42 7.202 0.783 -7.991 313 HG21 VAL 42 3HG2 VAL 42 8.095 3.586 -6.818 314 HG22 VAL 42 1HG2 VAL 42 9.478 2.882 -5.952 315 HG23 VAL 42 2HG2 VAL 42 9.096 2.335 -7.594 316 H CYS 43 H CYS 43 5.102 0.799 -3.952 317 HA CYS 43 HA CYS 43 3.079 2.629 -5.269 318 HB2 CYS 43 2HB CYS 43 2.875 0.184 -3.523 319 HB3 CYS 43 3HB CYS 43 1.537 1.203 -3.978 320 H VAL 44 H VAL 44 4.321 1.802 -1.904 321 HA VAL 44 HA VAL 44 2.270 3.258 -0.636 322 HB VAL 44 HB VAL 44 4.296 1.579 0.099 323 HG11 VAL 44 1HG1 VAL 44 5.808 2.670 1.640 324 HG12 VAL 44 2HG1 VAL 44 6.024 3.338 0.016 325 HG13 VAL 44 3HG1 VAL 44 5.139 4.266 1.249 326 HG21 VAL 44 3HG2 VAL 44 2.205 1.924 1.259 327 HG22 VAL 44 1HG2 VAL 44 3.559 1.989 2.406 328 HG23 VAL 44 2HG2 VAL 44 2.771 3.499 1.877 329 H ASP 45 H ASP 45 5.142 4.115 -2.242 330 HA ASP 45 HA ASP 45 5.457 6.867 -1.268 331 HB2 ASP 45 2HB ASP 45 7.430 5.805 -2.111 332 HB3 ASP 45 3HB ASP 45 6.616 5.232 -3.562 333 H GLN 46 H GLN 46 4.803 5.870 -4.669 334 HA GLN 46 HA GLN 46 3.706 8.264 -5.508 335 HB2 GLN 46 2HB GLN 46 3.020 5.398 -6.285 336 HB3 GLN 46 3HB GLN 46 2.457 6.783 -7.210 337 HG2 GLN 46 2HG GLN 46 5.423 6.354 -6.652 338 HG3 GLN 46 3HG GLN 46 4.608 5.520 -7.964 339 HE21 GLN 46 1HE2 GLN 46 6.781 7.615 -8.020 340 HE22 GLN 46 2HE2 GLN 46 6.117 8.814 -9.132 341 H TRP 47 H TRP 47 2.117 5.719 -3.667 342 HA TRP 47 HA TRP 47 -0.550 6.686 -3.934 343 HB2 TRP 47 2HB TRP 47 0.049 4.423 -3.120 344 HB3 TRP 47 3HB TRP 47 0.694 5.119 -1.630 345 HD1 TRP 47 HD1 TRP 47 -1.023 4.898 0.263 346 HE1 TRP 47 HE1 TRP 47 -3.598 4.818 0.444 347 HE3 TRP 47 HE3 TRP 47 -2.281 5.761 -4.642 348 HZ2 TRP 47 HZ2 TRP 47 -5.799 4.671 -1.318 349 HZ3 TRP 47 HZ3 TRP 47 -4.615 5.849 -5.315 350 HH2 TRP 47 HH2 TRP 47 -6.432 5.176 -3.707 351 H LEU 48 H LEU 48 1.812 7.071 -1.229 352 HA LEU 48 HA LEU 48 0.361 8.861 0.272 353 HB2 LEU 48 2HB LEU 48 3.189 8.042 -0.064 354 HB3 LEU 48 3HB LEU 48 3.068 9.648 0.534 355 HG LEU 48 HG LEU 48 1.578 7.265 1.720 356 HD11 LEU 48 1HD1 LEU 48 3.293 7.288 3.500 357 HD12 LEU 48 2HD1 LEU 48 4.006 6.959 1.909 358 HD13 LEU 48 3HD1 LEU 48 4.173 8.573 2.633 359 HD21 LEU 48 3HD2 LEU 48 2.127 10.047 2.861 360 HD22 LEU 48 1HD2 LEU 48 0.550 9.456 2.302 361 HD23 LEU 48 2HD2 LEU 48 1.310 8.718 3.715 362 H ILE 49 H ILE 49 2.195 9.618 -2.716 363 HA ILE 49 HA ILE 49 1.912 12.433 -2.530 364 HB ILE 49 HB ILE 49 2.062 10.649 -4.956 365 HG12 ILE 49 2HG1 ILE 49 3.933 10.146 -3.547 366 HG13 ILE 49 3HG1 ILE 49 4.427 11.053 -4.947 367 HG21 ILE 49 1HG2 ILE 49 2.533 13.608 -4.596 368 HG22 ILE 49 2HG2 ILE 49 3.068 12.673 -6.016 369 HG23 ILE 49 3HG2 ILE 49 1.342 12.811 -5.642 370 HD11 ILE 49 3HD1 ILE 49 5.577 11.858 -2.973 371 HD12 ILE 49 1HD1 ILE 49 4.475 13.121 -3.569 372 HD13 ILE 49 2HD1 ILE 49 4.028 12.135 -2.152 373 H THR 50 H THR 50 -0.306 9.855 -3.899 374 HA THR 50 HA THR 50 -2.174 11.906 -4.785 375 HB THR 50 HB THR 50 -1.394 9.160 -5.436 376 HG1 THR 50 1HG THR 50 -2.871 11.135 -6.825 377 HG21 THR 50 1HG2 THR 50 -3.623 8.552 -6.379 378 HG22 THR 50 2HG2 THR 50 -3.431 8.377 -4.635 379 HG23 THR 50 3HG2 THR 50 -4.343 9.777 -5.294 380 H ASN 51 H ASN 51 -2.581 8.880 -2.773 381 HA ASN 51 HA ASN 51 -4.741 10.317 -1.326 382 HB2 ASN 51 2HB ASN 51 -4.553 7.683 -2.370 383 HB3 ASN 51 3HB ASN 51 -4.428 7.504 -0.628 384 HD21 ASN 51 1HD2 ASN 51 -6.635 7.627 -3.101 385 HD22 ASN 51 2HD2 ASN 51 -8.029 8.172 -2.179 386 H LYS 52 H LYS 52 -4.023 11.274 0.489 387 HA LYS 52 HA LYS 52 -1.676 10.162 1.888 388 HB2 LYS 52 2HB LYS 52 -2.187 12.628 1.376 389 HB3 LYS 52 3HB LYS 52 -3.332 12.575 2.715 390 HG2 LYS 52 2HG LYS 52 -1.650 12.435 4.305 391 HG3 LYS 52 3HG LYS 52 -0.555 11.523 3.253 392 HD2 LYS 52 2HD LYS 52 -1.241 14.424 2.705 393 HD3 LYS 52 3HD LYS 52 0.099 13.948 3.772 394 HE2 LYS 52 2HE LYS 52 1.137 12.638 1.963 395 HE3 LYS 52 3HE LYS 52 -0.194 13.005 0.874 396 HZ1 LYS 52 3HZ LYS 52 1.712 14.395 0.483 397 HZ2 LYS 52 1HZ LYS 52 0.435 15.317 0.948 398 HZ3 LYS 52 2HZ LYS 52 1.664 15.006 2.006 399 H LYS 53 H LYS 53 -4.162 8.570 1.773 400 HA LYS 53 HA LYS 53 -4.744 8.204 4.632 401 HB2 LYS 53 2HB LYS 53 -6.935 8.211 2.494 402 HB3 LYS 53 3HB LYS 53 -7.086 8.049 4.235 403 HG2 LYS 53 2HG LYS 53 -6.080 10.363 4.485 404 HG3 LYS 53 3HG LYS 53 -6.183 10.544 2.731 405 HD2 LYS 53 2HD LYS 53 -8.029 11.656 3.798 406 HD3 LYS 53 3HD LYS 53 -8.637 10.301 2.831 407 HE2 LYS 53 2HE LYS 53 -9.399 9.161 4.696 408 HE3 LYS 53 3HE LYS 53 -7.964 9.611 5.631 409 HZ1 LYS 53 3HZ LYS 53 -8.817 11.723 6.027 410 HZ2 LYS 53 1HZ LYS 53 -10.222 11.444 5.174 411 HZ3 LYS 53 2HZ LYS 53 -9.841 10.631 6.585 412 H CYS 54 H CYS 54 -5.819 6.075 4.900 413 HA CYS 54 HA CYS 54 -4.083 4.078 3.585 414 HB2 CYS 54 2HB CYS 54 -4.788 4.054 5.943 415 HB3 CYS 54 3HB CYS 54 -6.472 3.866 5.402 416 HA PRO 55 HA PRO 55 -7.056 3.511 0.266 417 HB2 PRO 55 2HB PRO 55 -6.012 0.894 -0.394 418 HB3 PRO 55 3HB PRO 55 -5.820 2.392 -1.303 419 HG2 PRO 55 2HG PRO 55 -3.864 0.974 0.162 420 HG3 PRO 55 3HG PRO 55 -3.706 2.605 -0.488 421 HD2 PRO 55 2HD PRO 55 -4.197 1.734 2.297 422 HD3 PRO 55 3HD PRO 55 -3.542 3.282 1.707 423 H ILE 56 H ILE 56 -6.481 1.075 2.830 424 HA ILE 56 HA ILE 56 -9.015 -0.279 2.171 425 HB ILE 56 HB ILE 56 -6.942 -0.958 4.297 426 HG12 ILE 56 2HG1 ILE 56 -6.727 -2.921 2.470 427 HG13 ILE 56 3HG1 ILE 56 -7.189 -1.644 1.365 428 HG21 ILE 56 1HG2 ILE 56 -8.098 -3.137 4.295 429 HG22 ILE 56 2HG2 ILE 56 -9.192 -1.835 4.768 430 HG23 ILE 56 3HG2 ILE 56 -9.283 -2.507 3.125 431 HD11 ILE 56 3HD1 ILE 56 -5.006 -1.053 3.390 432 HD12 ILE 56 1HD1 ILE 56 -4.641 -2.100 2.034 433 HD13 ILE 56 2HD1 ILE 56 -5.215 -0.440 1.739 434 H CYS 57 H CYS 57 -7.443 0.862 5.226 435 HA CYS 57 HA CYS 57 -9.991 1.004 6.600 436 HB2 CYS 57 2HB CYS 57 -8.626 2.087 8.351 437 HB3 CYS 57 3HB CYS 57 -8.165 0.486 7.936 438 H ARG 58 H ARG 58 -8.438 3.214 4.367 439 HA ARG 58 HA ARG 58 -9.234 5.128 3.463 440 HB2 ARG 58 2HB ARG 58 -11.410 3.581 3.957 441 HB3 ARG 58 3HB ARG 58 -11.849 4.991 4.914 442 HG2 ARG 58 2HG ARG 58 -11.135 4.939 1.940 443 HG3 ARG 58 3HG ARG 58 -12.761 5.033 2.631 444 HD2 ARG 58 2HD ARG 58 -12.017 7.177 3.790 445 HD3 ARG 58 3HD ARG 58 -10.558 7.100 2.783 446 HE ARG 58 HE ARG 58 -13.213 6.954 1.477 447 HH11 ARG 58 2HH2 ARG 58 -10.374 8.916 2.137 448 HH12 ARG 58 1HH2 ARG 58 -10.811 10.223 1.088 449 HH21 ARG 58 2HH1 ARG 58 -13.855 8.682 0.075 450 HH22 ARG 58 1HH1 ARG 58 -12.857 10.075 -0.110 451 H VAL 59 H VAL 59 -8.054 5.050 6.341 452 HA VAL 59 HA VAL 59 -8.931 7.791 7.099 453 HB VAL 59 HB VAL 59 -8.548 7.371 9.280 454 HG11 VAL 59 1HG1 VAL 59 -10.460 6.030 8.217 455 HG12 VAL 59 2HG1 VAL 59 -9.382 4.621 8.387 456 HG13 VAL 59 3HG1 VAL 59 -9.933 5.489 9.833 457 HG21 VAL 59 3HG2 VAL 59 -6.926 4.909 8.573 458 HG22 VAL 59 1HG2 VAL 59 -6.375 6.413 9.361 459 HG23 VAL 59 2HG2 VAL 59 -7.457 5.314 10.223 460 H ASP 60 H ASP 60 -7.331 9.251 7.897 461 HA ASP 60 HA ASP 60 -4.969 9.212 6.318 462 HB2 ASP 60 2HB ASP 60 -5.362 11.025 8.722 463 HB3 ASP 60 3HB ASP 60 -4.642 11.369 7.167 464 H ILE 61 H ILE 61 -3.178 8.075 6.900 465 HA ILE 61 HA ILE 61 -3.011 6.448 9.013 466 HB ILE 61 HB ILE 61 -0.661 7.724 7.599 467 HG12 ILE 61 2HG1 ILE 61 -1.235 5.241 6.451 468 HG13 ILE 61 3HG1 ILE 61 -2.837 5.888 6.711 469 HG21 ILE 61 1HG2 ILE 61 0.274 5.388 8.069 470 HG22 ILE 61 2HG2 ILE 61 0.116 6.489 9.458 471 HG23 ILE 61 3HG2 ILE 61 -1.079 5.205 9.213 472 HD11 ILE 61 3HD1 ILE 61 -1.966 8.043 5.568 473 HD12 ILE 61 1HD1 ILE 61 -0.525 7.108 5.155 474 HD13 ILE 61 2HD1 ILE 61 -2.113 6.603 4.532 475 H GLU 62 H GLU 62 -2.317 9.789 9.012 476 HA GLU 62 HA GLU 62 -1.764 11.342 10.598 477 HB2 GLU 62 2HB GLU 62 -3.984 10.438 11.297 478 HB3 GLU 62 3HB GLU 62 -3.156 9.456 12.519 479 HG2 GLU 62 2HG GLU 62 -2.187 11.544 13.500 480 HG3 GLU 62 3HG GLU 62 -2.967 12.495 12.235 481 H ALA 63 H ALA 63 0.478 10.977 10.291 482 HA ALA 63 HA ALA 63 1.816 10.101 12.781 483 HB1 ALA 63 1HB ALA 63 1.866 8.163 11.201 484 HB2 ALA 63 2HB ALA 63 2.674 9.192 9.995 485 HB3 ALA 63 3HB ALA 63 3.485 8.805 11.528 486 H GLN 64 H GLN 64 4.340 10.682 12.381 487 HA GLN 64 HA GLN 64 4.420 13.536 11.967 488 HB2 GLN 64 2HB GLN 64 5.935 12.265 13.516 489 HB3 GLN 64 3HB GLN 64 6.715 11.526 12.106 490 HG2 GLN 64 2HG GLN 64 7.383 13.790 11.303 491 HG3 GLN 64 3HG GLN 64 6.587 14.520 12.706 492 HE21 GLN 64 1HE2 GLN 64 7.488 13.919 14.926 493 HE22 GLN 64 2HE2 GLN 64 9.199 13.513 14.975 494 H LEU 65 H LEU 65 4.913 14.663 10.102 495 HA LEU 65 HA LEU 65 5.767 13.141 7.693 496 HB2 LEU 65 2HB LEU 65 3.526 15.175 7.992 497 HB3 LEU 65 3HB LEU 65 4.180 14.671 6.434 498 HG LEU 65 HG LEU 65 3.038 12.652 8.407 499 HD11 LEU 65 1HD1 LEU 65 1.557 14.167 6.225 500 HD12 LEU 65 2HD1 LEU 65 0.921 12.790 7.161 501 HD13 LEU 65 3HD1 LEU 65 1.298 14.313 7.980 502 HD21 LEU 65 3HD2 LEU 65 3.400 12.601 5.381 503 HD22 LEU 65 1HD2 LEU 65 4.416 11.745 6.564 504 HD23 LEU 65 2HD2 LEU 65 2.715 11.300 6.380 505 HA PRO 66 HA PRO 66 8.481 16.794 8.250 506 HB2 PRO 66 2HB PRO 66 10.708 15.842 7.041 507 HB3 PRO 66 3HB PRO 66 10.169 15.167 8.608 508 HG2 PRO 66 2HG PRO 66 9.638 14.041 5.835 509 HG3 PRO 66 3HG PRO 66 10.287 13.183 7.270 510 HD2 PRO 66 2HD PRO 66 7.628 13.147 6.580 511 HD3 PRO 66 3HD PRO 66 8.167 13.095 8.289 512 H SER 67 H SER 67 6.670 17.594 6.885 513 HA SER 67 HA SER 67 6.001 18.871 5.179 514 HB2 SER 67 2HB SER 67 8.283 19.787 5.410 515 HB3 SER 67 3HB SER 67 8.861 18.701 4.152 516 HG SER 67 HG SER 67 6.657 20.392 3.634 517 H GLU 68 H GLU 68 8.312 16.881 3.302 518 HA GLU 68 HA GLU 68 8.056 15.360 1.678 519 HB2 GLU 68 2HB GLU 68 6.047 14.656 3.474 520 HB3 GLU 68 3HB GLU 68 5.159 14.803 1.951 521 HG2 GLU 68 2HG GLU 68 7.666 13.136 2.475 522 HG3 GLU 68 3HG GLU 68 6.013 12.514 2.387 523 H SER 69 H SER 69 7.707 15.591 -0.671 524 HA SER 69 HA SER 69 5.928 17.717 -1.541 525 HB2 SER 69 2HB SER 69 7.786 18.961 -0.330 526 HB3 SER 69 3HB SER 69 8.927 18.246 -1.492 527 HG SER 69 HG SER 69 7.390 19.161 -3.113 Start of MODEL 21 1 H1 MET 1 H1 MET 1 -6.333 -22.054 -7.014 2 H2 MET 1 H2 MET 1 -7.396 -22.072 -8.277 3 H3 MET 1 H3 MET 1 -7.160 -23.427 -7.369 4 HA MET 1 HA MET 1 -6.062 -23.677 -9.453 5 HB2 MET 1 2HB MET 1 -4.693 -21.099 -8.627 6 HB3 MET 1 3HB MET 1 -3.970 -22.238 -9.778 7 HG2 MET 1 2HG MET 1 -5.904 -22.064 -11.256 8 HG3 MET 1 3HG MET 1 -6.727 -21.012 -10.100 9 HE1 MET 1 3HE MET 1 -2.949 -21.054 -11.476 10 HE2 MET 1 1HE MET 1 -4.001 -21.314 -12.889 11 HE3 MET 1 2HE MET 1 -3.096 -19.797 -12.719 12 H LYS 2 H LYS 2 -3.753 -22.333 -6.946 13 HA LYS 2 HA LYS 2 -3.150 -25.098 -6.172 14 HB2 LYS 2 2HB LYS 2 -0.731 -24.558 -6.226 15 HB3 LYS 2 3HB LYS 2 -1.455 -24.596 -7.836 16 HG2 LYS 2 2HG LYS 2 -1.580 -22.092 -7.822 17 HG3 LYS 2 3HG LYS 2 -0.783 -22.081 -6.236 18 HD2 LYS 2 2HD LYS 2 1.192 -23.181 -7.195 19 HD3 LYS 2 3HD LYS 2 0.406 -23.211 -8.796 20 HE2 LYS 2 2HE LYS 2 0.229 -20.746 -8.771 21 HE3 LYS 2 3HE LYS 2 0.946 -20.693 -7.155 22 HZ1 LYS 2 3HZ LYS 2 2.563 -20.212 -8.860 23 HZ2 LYS 2 1HZ LYS 2 2.971 -21.598 -8.080 24 HZ3 LYS 2 2HZ LYS 2 2.310 -21.664 -9.588 25 H GLN 3 H GLN 3 -3.000 -25.181 -3.981 26 HA GLN 3 HA GLN 3 -3.664 -24.597 -1.922 27 HB2 GLN 3 2HB GLN 3 -1.825 -22.233 -2.491 28 HB3 GLN 3 3HB GLN 3 -2.652 -22.458 -0.962 29 HG2 GLN 3 2HG GLN 3 -0.660 -23.421 -0.489 30 HG3 GLN 3 3HG GLN 3 -1.621 -24.833 -0.910 31 HE21 GLN 3 1HE2 GLN 3 1.313 -24.573 -0.876 32 HE22 GLN 3 2HE2 GLN 3 1.819 -24.890 -2.528 33 H ASP 4 H ASP 4 -4.740 -22.669 -0.546 34 HA ASP 4 HA ASP 4 -6.214 -20.745 -2.016 35 HB2 ASP 4 2HB ASP 4 -7.531 -23.068 -2.226 36 HB3 ASP 4 3HB ASP 4 -8.011 -22.703 -0.567 37 H GLY 5 H GLY 5 -7.385 -19.365 -0.365 38 HA2 GLY 5 2HA GLY 5 -7.603 -18.441 1.775 39 HA3 GLY 5 3HA GLY 5 -6.742 -19.831 2.462 40 H GLU 6 H GLU 6 -6.468 -16.563 1.419 41 HA GLU 6 HA GLU 6 -3.643 -16.480 1.036 42 HB2 GLU 6 2HB GLU 6 -3.896 -13.998 1.489 43 HB3 GLU 6 3HB GLU 6 -4.745 -14.655 0.105 44 HG2 GLU 6 2HG GLU 6 -6.245 -14.368 2.722 45 HG3 GLU 6 3HG GLU 6 -5.909 -12.940 1.740 46 H GLU 7 H GLU 7 -5.652 -16.000 3.906 47 HA GLU 7 HA GLU 7 -5.176 -15.984 6.130 48 HB2 GLU 7 2HB GLU 7 -3.559 -17.907 5.314 49 HB3 GLU 7 3HB GLU 7 -2.288 -16.762 5.729 50 HG2 GLU 7 2HG GLU 7 -4.383 -17.076 7.826 51 HG3 GLU 7 3HG GLU 7 -3.570 -18.579 7.415 52 H GLY 8 H GLY 8 -3.551 -14.892 7.763 53 HA2 GLY 8 2HA GLY 8 -1.736 -13.053 7.486 54 HA3 GLY 8 3HA GLY 8 -3.075 -12.133 6.775 55 H THR 9 H THR 9 -2.706 -14.282 9.746 56 HA THR 9 HA THR 9 -4.617 -12.514 11.070 57 HB THR 9 HB THR 9 -4.554 -14.166 12.842 58 HG1 THR 9 1HG THR 9 -2.340 -14.702 12.649 59 HG21 THR 9 1HG2 THR 9 -5.393 -16.098 11.617 60 HG22 THR 9 2HG2 THR 9 -5.969 -14.606 10.842 61 HG23 THR 9 3HG2 THR 9 -4.634 -15.537 10.121 62 H GLU 10 H GLU 10 -2.545 -10.779 10.658 63 HA GLU 10 HA GLU 10 -1.761 -10.195 13.339 64 HB2 GLU 10 2HB GLU 10 -0.006 -11.978 12.335 65 HB3 GLU 10 3HB GLU 10 0.689 -10.531 11.609 66 HG2 GLU 10 2HG GLU 10 0.716 -9.489 13.936 67 HG3 GLU 10 3HG GLU 10 0.057 -10.992 14.571 68 H GLU 11 H GLU 11 0.541 -8.471 12.307 69 HA GLU 11 HA GLU 11 -1.015 -6.261 11.179 70 HB2 GLU 11 2HB GLU 11 0.761 -6.003 12.937 71 HB3 GLU 11 3HB GLU 11 1.970 -6.558 11.778 72 HG2 GLU 11 2HG GLU 11 1.645 -4.576 10.405 73 HG3 GLU 11 3HG GLU 11 0.199 -4.119 11.316 74 H ASP 12 H ASP 12 0.292 -5.181 9.125 75 HA ASP 12 HA ASP 12 0.719 -5.341 6.935 76 HB2 ASP 12 2HB ASP 12 2.417 -7.702 7.864 77 HB3 ASP 12 3HB ASP 12 2.477 -6.984 6.251 78 H THR 13 H THR 13 -1.771 -6.300 7.550 79 HA THR 13 HA THR 13 -2.177 -8.785 6.127 80 HB THR 13 HB THR 13 -3.776 -7.722 7.765 81 HG1 THR 13 1HG THR 13 -5.157 -8.550 5.472 82 HG21 THR 13 1HG2 THR 13 -3.995 -5.527 6.589 83 HG22 THR 13 2HG2 THR 13 -4.848 -6.395 5.275 84 HG23 THR 13 3HG2 THR 13 -5.548 -6.348 6.904 85 H GLU 14 H GLU 14 -1.433 -9.001 4.207 86 HA GLU 14 HA GLU 14 -1.391 -6.840 2.215 87 HB2 GLU 14 2HB GLU 14 0.693 -8.096 2.500 88 HB3 GLU 14 3HB GLU 14 -0.158 -9.644 2.434 89 HG2 GLU 14 2HG GLU 14 -0.812 -9.197 0.066 90 HG3 GLU 14 3HG GLU 14 0.026 -7.656 0.137 91 H GLU 15 H GLU 15 -3.228 -6.807 0.865 92 HA GLU 15 HA GLU 15 -4.380 -9.384 0.126 93 HB2 GLU 15 2HB GLU 15 -5.712 -7.177 1.616 94 HB3 GLU 15 3HB GLU 15 -6.665 -7.936 0.331 95 HG2 GLU 15 2HG GLU 15 -6.635 -10.048 1.295 96 HG3 GLU 15 3HG GLU 15 -5.216 -9.725 2.282 97 H LYS 16 H LYS 16 -2.687 -8.601 -1.415 98 HA LYS 16 HA LYS 16 -2.232 -8.243 -3.620 99 HB2 LYS 16 2HB LYS 16 -5.184 -7.580 -4.035 100 HB3 LYS 16 3HB LYS 16 -3.991 -7.922 -5.258 101 HG2 LYS 16 2HG LYS 16 -5.268 -9.888 -5.063 102 HG3 LYS 16 3HG LYS 16 -3.731 -10.262 -4.266 103 HD2 LYS 16 2HD LYS 16 -4.710 -10.186 -2.118 104 HD3 LYS 16 3HD LYS 16 -6.140 -9.297 -2.712 105 HE2 LYS 16 2HE LYS 16 -6.836 -11.352 -3.931 106 HE3 LYS 16 3HE LYS 16 -5.440 -12.210 -3.251 107 HZ1 LYS 16 3HZ LYS 16 -6.359 -11.897 -1.047 108 HZ2 LYS 16 1HZ LYS 16 -7.601 -10.985 -1.619 109 HZ3 LYS 16 2HZ LYS 16 -7.448 -12.593 -1.924 110 H CYS 17 H CYS 17 -2.017 -6.312 -5.250 111 HA CYS 17 HA CYS 17 -1.740 -3.925 -3.675 112 HB2 CYS 17 2HB CYS 17 -0.109 -4.877 -5.434 113 HB3 CYS 17 3HB CYS 17 -1.189 -4.088 -6.582 114 H THR 18 H THR 18 -2.963 -2.171 -3.939 115 HA THR 18 HA THR 18 -5.321 -2.380 -5.770 116 HB THR 18 HB THR 18 -5.308 -2.372 -3.034 117 HG1 THR 18 1HG THR 18 -6.987 -3.053 -4.300 118 HG21 THR 18 1HG2 THR 18 -6.369 -0.309 -2.340 119 HG22 THR 18 2HG2 THR 18 -4.727 0.012 -2.953 120 HG23 THR 18 3HG2 THR 18 -6.155 0.382 -3.964 121 H ILE 19 H ILE 19 -2.538 -0.448 -4.786 122 HA ILE 19 HA ILE 19 -3.434 1.878 -6.240 123 HB ILE 19 HB ILE 19 -0.797 0.936 -5.030 124 HG12 ILE 19 2HG1 ILE 19 -1.578 3.242 -3.763 125 HG13 ILE 19 3HG1 ILE 19 -3.153 2.570 -4.093 126 HG21 ILE 19 1HG2 ILE 19 -0.265 2.343 -6.918 127 HG22 ILE 19 2HG2 ILE 19 -1.426 3.581 -6.371 128 HG23 ILE 19 3HG2 ILE 19 0.037 3.221 -5.412 129 HD11 ILE 19 3HD1 ILE 19 -2.252 1.926 -1.889 130 HD12 ILE 19 1HD1 ILE 19 -2.468 0.484 -2.905 131 HD13 ILE 19 2HD1 ILE 19 -0.845 1.168 -2.652 132 H CYS 20 H CYS 20 -1.511 -1.068 -6.849 133 HA CYS 20 HA CYS 20 -1.008 -0.268 -9.698 134 HB2 CYS 20 2HB CYS 20 -0.391 -2.828 -8.285 135 HB3 CYS 20 3HB CYS 20 0.165 -2.313 -9.871 136 H LEU 21 H LEU 21 -3.807 -1.007 -8.272 137 HA LEU 21 HA LEU 21 -5.517 -2.498 -8.504 138 HB2 LEU 21 2HB LEU 21 -5.138 -1.311 -11.193 139 HB3 LEU 21 3HB LEU 21 -6.439 -2.456 -10.840 140 HG LEU 21 HG LEU 21 -6.979 -1.005 -8.797 141 HD11 LEU 21 1HD1 LEU 21 -6.541 1.394 -9.103 142 HD12 LEU 21 2HD1 LEU 21 -5.024 0.500 -8.988 143 HD13 LEU 21 3HD1 LEU 21 -5.590 1.057 -10.573 144 HD21 LEU 21 3HD2 LEU 21 -8.511 0.358 -10.199 145 HD22 LEU 21 1HD2 LEU 21 -7.572 -0.090 -11.645 146 HD23 LEU 21 2HD2 LEU 21 -8.456 -1.331 -10.728 147 H SER 22 H SER 22 -3.589 -4.288 -8.105 148 HA SER 22 HA SER 22 -4.297 -6.518 -9.758 149 HB2 SER 22 2HB SER 22 -2.772 -5.225 -11.355 150 HB3 SER 22 3HB SER 22 -1.449 -5.548 -10.220 151 HG SER 22 HG SER 22 -1.658 -7.113 -11.907 152 H ILE 23 H ILE 23 -2.634 -8.423 -9.340 153 HA ILE 23 HA ILE 23 -2.339 -8.786 -6.495 154 HB ILE 23 HB ILE 23 -1.033 -10.817 -7.412 155 HG12 ILE 23 2HG1 ILE 23 -1.036 -9.532 -9.797 156 HG13 ILE 23 3HG1 ILE 23 -0.871 -11.233 -9.540 157 HG21 ILE 23 1HG2 ILE 23 -3.152 -12.010 -7.774 158 HG22 ILE 23 2HG2 ILE 23 -3.194 -10.949 -6.374 159 HG23 ILE 23 3HG2 ILE 23 -4.008 -10.443 -7.863 160 HD11 ILE 23 3HD1 ILE 23 -3.175 -11.683 -9.987 161 HD12 ILE 23 1HD1 ILE 23 -3.556 -9.950 -10.089 162 HD13 ILE 23 2HD1 ILE 23 -2.516 -10.710 -11.314 163 H LEU 24 H LEU 24 -0.371 -8.815 -5.300 164 HA LEU 24 HA LEU 24 1.756 -7.156 -6.272 165 HB2 LEU 24 2HB LEU 24 1.170 -8.879 -3.845 166 HB3 LEU 24 3HB LEU 24 2.824 -8.430 -4.157 167 HG LEU 24 HG LEU 24 0.523 -6.490 -3.836 168 HD11 LEU 24 1HD1 LEU 24 1.634 -5.892 -1.700 169 HD12 LEU 24 2HD1 LEU 24 1.152 -7.589 -1.768 170 HD13 LEU 24 3HD1 LEU 24 2.854 -7.160 -1.990 171 HD21 LEU 24 3HD2 LEU 24 3.500 -6.014 -4.234 172 HD22 LEU 24 1HD2 LEU 24 2.158 -5.441 -5.257 173 HD23 LEU 24 2HD2 LEU 24 2.367 -4.778 -3.642 174 H GLU 25 H GLU 25 4.025 -8.040 -6.082 175 HA GLU 25 HA GLU 25 4.447 -10.572 -7.489 176 HB2 GLU 25 2HB GLU 25 5.627 -9.409 -9.339 177 HB3 GLU 25 3HB GLU 25 3.894 -9.019 -9.312 178 HG2 GLU 25 2HG GLU 25 4.412 -6.981 -7.996 179 HG3 GLU 25 3HG GLU 25 6.141 -7.305 -8.166 180 H GLU 26 H GLU 26 6.728 -11.101 -7.452 181 HA GLU 26 HA GLU 26 8.129 -9.997 -5.181 182 HB2 GLU 26 2HB GLU 26 9.711 -11.858 -5.602 183 HB3 GLU 26 3HB GLU 26 8.059 -12.376 -5.337 184 HG2 GLU 26 2HG GLU 26 8.948 -12.011 -8.201 185 HG3 GLU 26 3HG GLU 26 9.598 -13.371 -7.294 186 H GLY 27 H GLY 27 8.022 -7.927 -6.784 187 HA2 GLY 27 2HA GLY 27 10.093 -7.906 -8.836 188 HA3 GLY 27 3HA GLY 27 9.067 -6.547 -8.354 189 H GLU 28 H GLU 28 9.639 -5.900 -5.800 190 HA GLU 28 HA GLU 28 12.508 -5.873 -5.352 191 HB2 GLU 28 2HB GLU 28 11.591 -3.870 -6.811 192 HB3 GLU 28 3HB GLU 28 10.865 -3.337 -5.300 193 HG2 GLU 28 2HG GLU 28 13.517 -4.040 -4.623 194 HG3 GLU 28 3HG GLU 28 13.686 -3.348 -6.223 195 H ASP 29 H ASP 29 12.100 -3.877 -3.306 196 HA ASP 29 HA ASP 29 11.214 -5.677 -1.195 197 HB2 ASP 29 2HB ASP 29 13.191 -4.007 -1.104 198 HB3 ASP 29 3HB ASP 29 11.970 -2.744 -0.917 199 H VAL 30 H VAL 30 9.471 -5.056 0.347 200 HA VAL 30 HA VAL 30 7.429 -3.329 -0.906 201 HB VAL 30 HB VAL 30 5.788 -4.807 0.107 202 HG11 VAL 30 1HG1 VAL 30 6.514 -4.909 -2.232 203 HG12 VAL 30 2HG1 VAL 30 7.676 -6.181 -1.808 204 HG13 VAL 30 3HG1 VAL 30 5.915 -6.469 -1.632 205 HG21 VAL 30 3HG2 VAL 30 8.091 -6.723 0.517 206 HG22 VAL 30 1HG2 VAL 30 7.268 -5.832 1.822 207 HG23 VAL 30 2HG2 VAL 30 6.369 -7.024 0.851 208 H ARG 31 H ARG 31 5.665 -2.790 0.786 209 HA ARG 31 HA ARG 31 6.766 -2.182 3.358 210 HB2 ARG 31 2HB ARG 31 7.622 -0.423 1.386 211 HB3 ARG 31 3HB ARG 31 6.211 0.389 2.007 212 HG2 ARG 31 2HG ARG 31 8.182 1.167 3.205 213 HG3 ARG 31 3HG ARG 31 7.314 0.111 4.355 214 HD2 ARG 31 2HD ARG 31 8.754 -1.759 3.805 215 HD3 ARG 31 3HD ARG 31 9.429 -0.886 2.401 216 HE ARG 31 HE ARG 31 10.097 0.509 4.775 217 HH11 ARG 31 2HH2 ARG 31 10.617 -2.501 2.952 218 HH12 ARG 31 1HH2 ARG 31 12.291 -2.571 3.146 219 HH21 ARG 31 2HH1 ARG 31 12.416 0.299 5.344 220 HH22 ARG 31 1HH1 ARG 31 13.313 -1.051 4.728 221 H ARG 32 H ARG 32 5.239 -1.181 4.785 222 HA ARG 32 HA ARG 32 2.484 -1.446 3.780 223 HB2 ARG 32 2HB ARG 32 1.963 -1.553 6.284 224 HB3 ARG 32 3HB ARG 32 2.678 -2.982 5.579 225 HG2 ARG 32 2HG ARG 32 4.400 -0.880 6.975 226 HG3 ARG 32 3HG ARG 32 3.502 -2.097 7.874 227 HD2 ARG 32 2HD ARG 32 4.642 -3.757 6.107 228 HD3 ARG 32 3HD ARG 32 5.862 -2.501 6.040 229 HE ARG 32 HE ARG 32 5.031 -4.261 8.220 230 HH11 ARG 32 2HH2 ARG 32 7.003 -1.459 7.461 231 HH12 ARG 32 1HH2 ARG 32 8.006 -1.554 8.874 232 HH21 ARG 32 2HH1 ARG 32 6.237 -4.396 10.108 233 HH22 ARG 32 1HH1 ARG 32 7.543 -3.314 10.472 234 H LEU 33 H LEU 33 1.003 0.082 4.381 235 HA LEU 33 HA LEU 33 2.057 2.804 4.827 236 HB2 LEU 33 2HB LEU 33 -0.774 1.932 5.423 237 HB3 LEU 33 3HB LEU 33 -0.182 3.548 5.058 238 HG LEU 33 HG LEU 33 0.354 1.951 2.816 239 HD11 LEU 33 1HD1 LEU 33 -2.460 1.607 3.902 240 HD12 LEU 33 2HD1 LEU 33 -1.986 1.274 2.234 241 HD13 LEU 33 3HD1 LEU 33 -1.273 0.324 3.557 242 HD21 LEU 33 3HD2 LEU 33 -1.261 3.433 1.691 243 HD22 LEU 33 1HD2 LEU 33 -1.799 4.042 3.271 244 HD23 LEU 33 2HD2 LEU 33 -0.137 4.348 2.714 245 HA PRO 34 HA PRO 34 2.494 2.116 9.184 246 HB2 PRO 34 2HB PRO 34 1.521 4.742 9.993 247 HB3 PRO 34 3HB PRO 34 3.175 4.100 9.980 248 HG2 PRO 34 2HG PRO 34 2.058 6.021 8.159 249 HG3 PRO 34 3HG PRO 34 3.665 5.253 8.076 250 HD2 PRO 34 2HD PRO 34 1.307 4.730 6.441 251 HD3 PRO 34 3HD PRO 34 2.983 4.139 6.240 252 H CYS 35 H CYS 35 -0.601 2.634 7.764 253 HA CYS 35 HA CYS 35 -2.237 2.724 10.161 254 HB2 CYS 35 2HB CYS 35 -4.043 2.372 8.743 255 HB3 CYS 35 3HB CYS 35 -2.951 3.462 7.883 256 H MET 36 H MET 36 -0.866 0.125 8.238 257 HA MET 36 HA MET 36 -0.604 -2.014 9.716 258 HB2 MET 36 2HB MET 36 -2.641 -1.953 10.920 259 HB3 MET 36 3HB MET 36 -3.613 -1.728 9.446 260 HG2 MET 36 2HG MET 36 -3.132 -4.020 8.762 261 HG3 MET 36 3HG MET 36 -2.061 -4.234 10.158 262 HE1 MET 36 3HE MET 36 -3.384 -6.435 10.475 263 HE2 MET 36 1HE MET 36 -5.091 -6.563 10.953 264 HE3 MET 36 2HE MET 36 -4.664 -6.131 9.281 265 H HIS 37 H HIS 37 -2.547 -1.077 6.888 266 HA HIS 37 HA HIS 37 -2.380 -3.675 5.657 267 HB2 HIS 37 1HB HIS 37 -3.084 -0.968 4.472 268 HB3 HIS 37 2HB HIS 37 -3.340 -2.504 3.687 269 HD2 HIS 37 2HD HIS 37 -4.981 -4.271 4.798 270 HE1 HIS 37 1HE HIS 37 -7.325 -1.504 7.028 271 HE2 HIS 37 2HE HIS 37 -7.184 -3.926 6.177 272 H LEU 38 H LEU 38 -1.304 -4.280 3.724 273 HA LEU 38 HA LEU 38 1.418 -3.063 3.516 274 HB2 LEU 38 2HB LEU 38 1.317 -5.173 4.574 275 HB3 LEU 38 3HB LEU 38 0.411 -5.857 3.223 276 HG LEU 38 HG LEU 38 2.657 -6.703 3.398 277 HD11 LEU 38 1HD1 LEU 38 3.077 -6.883 1.192 278 HD12 LEU 38 2HD1 LEU 38 1.453 -6.199 1.084 279 HD13 LEU 38 3HD1 LEU 38 2.888 -5.173 0.853 280 HD21 LEU 38 3HD2 LEU 38 3.799 -4.804 4.350 281 HD22 LEU 38 1HD2 LEU 38 4.617 -5.331 2.868 282 HD23 LEU 38 2HD2 LEU 38 3.595 -3.883 2.843 283 H PHE 39 H PHE 39 2.377 -2.871 1.578 284 HA PHE 39 HA PHE 39 1.031 -3.573 -0.948 285 HB2 PHE 39 2HB PHE 39 1.434 -0.694 -0.042 286 HB3 PHE 39 3HB PHE 39 1.290 -1.104 -1.741 287 HD1 PHE 39 1HD PHE 39 -0.660 -2.863 -2.239 288 HD2 PHE 39 2HD PHE 39 -0.620 -0.072 1.003 289 HE1 PHE 39 1HE PHE 39 -3.163 -3.005 -2.094 290 HE2 PHE 39 2HE PHE 39 -3.119 -0.188 1.117 291 HZ PHE 39 HZ PHE 39 -4.375 -1.556 -0.538 292 H HIS 40 H HIS 40 2.526 -2.292 -2.848 293 HA HIS 40 HA HIS 40 5.217 -3.347 -2.483 294 HB2 HIS 40 1HB HIS 40 4.124 -1.346 -4.489 295 HB3 HIS 40 2HB HIS 40 5.774 -1.846 -4.434 296 HD2 HIS 40 2HD HIS 40 6.366 -4.399 -5.106 297 HE1 HIS 40 1HE HIS 40 3.202 -4.459 -7.950 298 HE2 HIS 40 2HE HIS 40 5.394 -5.502 -7.282 299 H GLN 41 H GLN 41 7.079 -2.049 -2.111 300 HA GLN 41 HA GLN 41 6.789 0.182 -0.370 301 HB2 GLN 41 2HB GLN 41 8.800 -1.275 -0.370 302 HB3 GLN 41 3HB GLN 41 9.085 -0.941 -2.066 303 HG2 GLN 41 2HG GLN 41 9.151 1.410 -0.214 304 HG3 GLN 41 3HG GLN 41 10.459 0.232 -0.081 305 HE21 GLN 41 1HE2 GLN 41 11.488 -0.511 -2.465 306 HE22 GLN 41 2HE2 GLN 41 11.733 0.876 -3.426 307 H VAL 42 H VAL 42 7.891 0.025 -3.713 308 HA VAL 42 HA VAL 42 7.941 2.815 -4.035 309 HB VAL 42 HB VAL 42 8.599 0.691 -5.574 310 HG11 VAL 42 1HG1 VAL 42 6.317 1.935 -7.147 311 HG12 VAL 42 2HG1 VAL 42 7.460 0.706 -7.704 312 HG13 VAL 42 3HG1 VAL 42 6.304 0.306 -6.424 313 HG21 VAL 42 3HG2 VAL 42 9.294 2.332 -7.289 314 HG22 VAL 42 1HG2 VAL 42 8.222 3.549 -6.554 315 HG23 VAL 42 2HG2 VAL 42 9.618 2.921 -5.649 316 H CYS 43 H CYS 43 5.205 0.734 -3.901 317 HA CYS 43 HA CYS 43 3.312 2.581 -5.364 318 HB2 CYS 43 2HB CYS 43 2.939 0.138 -3.646 319 HB3 CYS 43 3HB CYS 43 1.648 1.176 -4.173 320 H VAL 44 H VAL 44 4.180 1.700 -1.925 321 HA VAL 44 HA VAL 44 2.026 3.152 -0.826 322 HB VAL 44 HB VAL 44 3.940 1.393 0.058 323 HG11 VAL 44 1HG1 VAL 44 5.697 3.074 0.261 324 HG12 VAL 44 2HG1 VAL 44 4.686 4.025 1.381 325 HG13 VAL 44 3HG1 VAL 44 5.240 2.412 1.839 326 HG21 VAL 44 3HG2 VAL 44 2.937 1.704 2.262 327 HG22 VAL 44 1HG2 VAL 44 2.240 3.257 1.732 328 HG23 VAL 44 2HG2 VAL 44 1.727 1.727 0.964 329 H ASP 45 H ASP 45 5.123 3.986 -2.071 330 HA ASP 45 HA ASP 45 5.305 6.570 -0.716 331 HB2 ASP 45 2HB ASP 45 7.300 5.267 -1.478 332 HB3 ASP 45 3HB ASP 45 6.866 5.627 -3.159 333 H GLN 46 H GLN 46 4.949 5.845 -4.273 334 HA GLN 46 HA GLN 46 4.142 8.482 -4.907 335 HB2 GLN 46 2HB GLN 46 3.248 7.546 -6.992 336 HB3 GLN 46 3HB GLN 46 4.833 6.859 -6.612 337 HG2 GLN 46 2HG GLN 46 3.749 4.813 -5.748 338 HG3 GLN 46 3HG GLN 46 2.159 5.496 -6.056 339 HE21 GLN 46 1HE2 GLN 46 1.495 3.865 -7.546 340 HE22 GLN 46 2HE2 GLN 46 2.278 3.730 -9.113 341 H TRP 47 H TRP 47 2.319 5.803 -3.537 342 HA TRP 47 HA TRP 47 -0.271 6.900 -3.927 343 HB2 TRP 47 2HB TRP 47 0.154 4.554 -3.273 344 HB3 TRP 47 3HB TRP 47 0.741 5.090 -1.695 345 HD1 TRP 47 HD1 TRP 47 -1.068 5.000 0.103 346 HE1 TRP 47 HE1 TRP 47 -3.657 5.176 0.163 347 HE3 TRP 47 HE3 TRP 47 -2.017 6.068 -4.807 348 HZ2 TRP 47 HZ2 TRP 47 -5.740 5.105 -1.668 349 HZ3 TRP 47 HZ3 TRP 47 -4.324 6.394 -5.568 350 HH2 TRP 47 HH2 TRP 47 -6.250 5.811 -4.080 351 H LEU 48 H LEU 48 1.967 7.073 -1.088 352 HA LEU 48 HA LEU 48 0.444 8.771 0.482 353 HB2 LEU 48 2HB LEU 48 3.293 7.970 0.212 354 HB3 LEU 48 3HB LEU 48 3.088 9.532 0.929 355 HG LEU 48 HG LEU 48 1.712 6.982 1.887 356 HD11 LEU 48 1HD1 LEU 48 3.329 7.084 3.748 357 HD12 LEU 48 2HD1 LEU 48 4.165 6.961 2.189 358 HD13 LEU 48 3HD1 LEU 48 4.083 8.525 3.025 359 HD21 LEU 48 3HD2 LEU 48 1.836 9.792 3.075 360 HD22 LEU 48 1HD2 LEU 48 0.375 8.915 2.572 361 HD23 LEU 48 2HD2 LEU 48 1.291 8.352 3.969 362 H ILE 49 H ILE 49 2.522 9.641 -2.333 363 HA ILE 49 HA ILE 49 2.298 12.448 -1.997 364 HB ILE 49 HB ILE 49 2.656 10.787 -4.492 365 HG12 ILE 49 2HG1 ILE 49 4.392 10.325 -2.807 366 HG13 ILE 49 3HG1 ILE 49 4.968 11.070 -4.277 367 HG21 ILE 49 1HG2 ILE 49 3.031 13.735 -3.989 368 HG22 ILE 49 2HG2 ILE 49 3.732 12.862 -5.380 369 HG23 ILE 49 3HG2 ILE 49 1.975 12.950 -5.178 370 HD11 ILE 49 3HD1 ILE 49 4.432 12.535 -1.687 371 HD12 ILE 49 1HD1 ILE 49 6.026 12.026 -2.287 372 HD13 ILE 49 2HD1 ILE 49 5.096 13.244 -3.183 373 H THR 50 H THR 50 0.087 10.025 -3.627 374 HA THR 50 HA THR 50 -1.611 12.186 -4.574 375 HB THR 50 HB THR 50 -0.971 9.369 -5.176 376 HG1 THR 50 1HG THR 50 -2.091 11.475 -6.696 377 HG21 THR 50 1HG2 THR 50 -3.126 8.782 -4.586 378 HG22 THR 50 2HG2 THR 50 -3.849 10.249 -5.323 379 HG23 THR 50 3HG2 THR 50 -3.131 8.966 -6.339 380 H ASN 51 H ASN 51 -2.317 9.133 -2.680 381 HA ASN 51 HA ASN 51 -4.483 10.640 -1.358 382 HB2 ASN 51 2HB ASN 51 -4.676 8.240 -2.457 383 HB3 ASN 51 3HB ASN 51 -3.920 7.712 -0.953 384 HD21 ASN 51 1HD2 ASN 51 -6.664 7.166 -1.875 385 HD22 ASN 51 2HD2 ASN 51 -7.712 7.851 -0.641 386 H LYS 52 H LYS 52 -3.999 11.553 0.540 387 HA LYS 52 HA LYS 52 -1.844 10.536 2.259 388 HB2 LYS 52 2HB LYS 52 -3.429 12.992 1.990 389 HB3 LYS 52 3HB LYS 52 -3.311 12.521 3.676 390 HG2 LYS 52 2HG LYS 52 -0.827 12.462 1.928 391 HG3 LYS 52 3HG LYS 52 -1.438 14.005 2.509 392 HD2 LYS 52 2HD LYS 52 -1.339 12.024 4.686 393 HD3 LYS 52 3HD LYS 52 0.247 12.261 3.926 394 HE2 LYS 52 2HE LYS 52 0.155 14.647 4.240 395 HE3 LYS 52 3HE LYS 52 -1.543 14.586 4.736 396 HZ1 LYS 52 3HZ LYS 52 -0.039 14.832 6.602 397 HZ2 LYS 52 1HZ LYS 52 -0.899 13.433 6.712 398 HZ3 LYS 52 2HZ LYS 52 0.686 13.396 6.254 399 H LYS 53 H LYS 53 -4.583 9.008 1.706 400 HA LYS 53 HA LYS 53 -5.008 8.270 4.560 401 HB2 LYS 53 2HB LYS 53 -7.045 8.363 2.259 402 HB3 LYS 53 3HB LYS 53 -7.331 7.529 3.763 403 HG2 LYS 53 2HG LYS 53 -8.012 9.362 4.790 404 HG3 LYS 53 3HG LYS 53 -6.512 10.211 4.379 405 HD2 LYS 53 2HD LYS 53 -8.782 9.890 2.393 406 HD3 LYS 53 3HD LYS 53 -8.788 11.197 3.590 407 HE2 LYS 53 2HE LYS 53 -6.338 10.657 1.922 408 HE3 LYS 53 3HE LYS 53 -7.670 11.614 1.241 409 HZ1 LYS 53 3HZ LYS 53 -6.221 12.233 3.744 410 HZ2 LYS 53 1HZ LYS 53 -6.046 13.045 2.332 411 HZ3 LYS 53 2HZ LYS 53 -7.457 13.092 3.179 412 H CYS 54 H CYS 54 -5.854 6.165 4.745 413 HA CYS 54 HA CYS 54 -4.196 4.105 3.351 414 HB2 CYS 54 2HB CYS 54 -4.898 3.937 5.713 415 HB3 CYS 54 3HB CYS 54 -6.591 3.938 5.184 416 HA PRO 55 HA PRO 55 -7.145 3.996 -0.038 417 HB2 PRO 55 2HB PRO 55 -6.382 1.717 -1.288 418 HB3 PRO 55 3HB PRO 55 -5.329 3.116 -1.299 419 HG2 PRO 55 2HG PRO 55 -5.150 0.769 0.554 420 HG3 PRO 55 3HG PRO 55 -3.855 1.546 -0.416 421 HD2 PRO 55 2HD PRO 55 -4.264 2.186 2.184 422 HD3 PRO 55 3HD PRO 55 -3.759 3.408 1.024 423 H ILE 56 H ILE 56 -6.578 1.195 2.109 424 HA ILE 56 HA ILE 56 -9.071 -0.117 1.349 425 HB ILE 56 HB ILE 56 -6.885 -0.762 3.324 426 HG12 ILE 56 2HG1 ILE 56 -7.836 -2.383 0.937 427 HG13 ILE 56 3HG1 ILE 56 -6.803 -0.981 0.658 428 HG21 ILE 56 1HG2 ILE 56 -8.074 -2.990 3.558 429 HG22 ILE 56 2HG2 ILE 56 -8.954 -1.660 4.312 430 HG23 ILE 56 3HG2 ILE 56 -9.473 -2.283 2.734 431 HD11 ILE 56 3HD1 ILE 56 -5.486 -3.043 0.880 432 HD12 ILE 56 1HD1 ILE 56 -5.098 -1.844 2.139 433 HD13 ILE 56 2HD1 ILE 56 -6.103 -3.264 2.527 434 H CYS 57 H CYS 57 -7.730 0.970 4.517 435 HA CYS 57 HA CYS 57 -10.396 0.949 5.749 436 HB2 CYS 57 2HB CYS 57 -9.137 1.615 7.737 437 HB3 CYS 57 3HB CYS 57 -8.591 0.135 7.013 438 H ARG 58 H ARG 58 -8.621 3.339 3.929 439 HA ARG 58 HA ARG 58 -9.348 5.341 3.201 440 HB2 ARG 58 2HB ARG 58 -11.499 3.678 3.301 441 HB3 ARG 58 3HB ARG 58 -12.106 5.006 4.271 442 HG2 ARG 58 2HG ARG 58 -11.085 5.068 1.398 443 HG3 ARG 58 3HG ARG 58 -12.741 5.284 1.963 444 HD2 ARG 58 2HD ARG 58 -11.767 7.377 3.236 445 HD3 ARG 58 3HD ARG 58 -10.411 7.208 2.128 446 HE ARG 58 HE ARG 58 -11.787 7.815 0.340 447 HH11 ARG 58 2HH2 ARG 58 -13.668 7.505 3.319 448 HH12 ARG 58 1HH2 ARG 58 -15.068 8.317 2.725 449 HH21 ARG 58 2HH1 ARG 58 -13.669 8.922 -0.495 450 HH22 ARG 58 1HH1 ARG 58 -15.061 9.136 0.501 451 H VAL 59 H VAL 59 -8.034 5.464 5.788 452 HA VAL 59 HA VAL 59 -9.269 8.018 6.655 453 HB VAL 59 HB VAL 59 -8.921 7.591 8.866 454 HG11 VAL 59 1HG1 VAL 59 -10.264 5.633 9.373 455 HG12 VAL 59 2HG1 VAL 59 -10.824 6.318 7.826 456 HG13 VAL 59 3HG1 VAL 59 -9.762 4.882 7.839 457 HG21 VAL 59 3HG2 VAL 59 -7.850 5.539 9.829 458 HG22 VAL 59 1HG2 VAL 59 -7.267 5.149 8.191 459 HG23 VAL 59 2HG2 VAL 59 -6.760 6.657 9.007 460 H ASP 60 H ASP 60 -7.672 9.555 7.585 461 HA ASP 60 HA ASP 60 -5.148 9.322 6.219 462 HB2 ASP 60 2HB ASP 60 -6.054 11.278 8.405 463 HB3 ASP 60 3HB ASP 60 -4.626 11.383 7.425 464 H ILE 61 H ILE 61 -3.611 8.073 7.016 465 HA ILE 61 HA ILE 61 -3.640 6.513 9.118 466 HB ILE 61 HB ILE 61 -1.093 7.830 8.159 467 HG12 ILE 61 2HG1 ILE 61 -1.413 5.426 6.805 468 HG13 ILE 61 3HG1 ILE 61 -3.065 6.001 6.841 469 HG21 ILE 61 1HG2 ILE 61 -1.769 5.175 9.451 470 HG22 ILE 61 2HG2 ILE 61 -0.203 5.539 8.684 471 HG23 ILE 61 3HG2 ILE 61 -0.729 6.466 10.098 472 HD11 ILE 61 3HD1 ILE 61 -2.022 6.841 4.833 473 HD12 ILE 61 1HD1 ILE 61 -2.138 8.235 5.934 474 HD13 ILE 61 2HD1 ILE 61 -0.594 7.397 5.736 475 H GLU 62 H GLU 62 -2.923 9.856 9.352 476 HA GLU 62 HA GLU 62 -2.717 11.354 11.005 477 HB2 GLU 62 2HB GLU 62 -4.757 10.198 11.805 478 HB3 GLU 62 3HB GLU 62 -3.754 9.277 12.947 479 HG2 GLU 62 2HG GLU 62 -2.937 11.397 13.941 480 HG3 GLU 62 3HG GLU 62 -3.836 12.324 12.739 481 H ALA 63 H ALA 63 -0.650 11.820 11.042 482 HA ALA 63 HA ALA 63 1.543 11.869 11.562 483 HB1 ALA 63 1HB ALA 63 0.544 12.410 13.793 484 HB2 ALA 63 2HB ALA 63 0.733 10.707 14.252 485 HB3 ALA 63 3HB ALA 63 2.163 11.704 13.890 486 H GLN 64 H GLN 64 3.125 10.058 13.172 487 HA GLN 64 HA GLN 64 4.560 8.400 12.629 488 HB2 GLN 64 2HB GLN 64 2.589 7.390 13.927 489 HB3 GLN 64 3HB GLN 64 1.980 6.797 12.387 490 HG2 GLN 64 2HG GLN 64 3.088 4.973 13.373 491 HG3 GLN 64 3HG GLN 64 4.218 5.529 12.146 492 HE21 GLN 64 1HE2 GLN 64 4.124 4.398 15.259 493 HE22 GLN 64 2HE2 GLN 64 5.540 5.236 15.875 494 H LEU 65 H LEU 65 4.498 9.853 10.412 495 HA LEU 65 HA LEU 65 4.858 7.726 8.435 496 HB2 LEU 65 2HB LEU 65 3.778 8.752 6.624 497 HB3 LEU 65 3HB LEU 65 2.622 8.486 7.903 498 HG LEU 65 HG LEU 65 3.697 11.246 7.990 499 HD11 LEU 65 1HD1 LEU 65 2.655 12.021 5.926 500 HD12 LEU 65 2HD1 LEU 65 3.911 10.838 5.544 501 HD13 LEU 65 3HD1 LEU 65 2.201 10.352 5.497 502 HD21 LEU 65 3HD2 LEU 65 1.691 10.593 9.166 503 HD22 LEU 65 1HD2 LEU 65 1.321 11.823 7.964 504 HD23 LEU 65 2HD2 LEU 65 0.902 10.116 7.652 505 HA PRO 66 HA PRO 66 8.384 10.490 7.814 506 HB2 PRO 66 2HB PRO 66 10.125 8.697 6.770 507 HB3 PRO 66 3HB PRO 66 9.644 8.564 8.494 508 HG2 PRO 66 2HG PRO 66 8.499 7.049 6.119 509 HG3 PRO 66 3HG PRO 66 9.068 6.380 7.681 510 HD2 PRO 66 2HD PRO 66 6.423 6.977 7.140 511 HD3 PRO 66 3HD PRO 66 7.121 7.075 8.790 512 H SER 67 H SER 67 9.500 11.281 5.859 513 HA SER 67 HA SER 67 8.648 10.382 3.253 514 HB2 SER 67 2HB SER 67 6.639 11.626 4.148 515 HB3 SER 67 3HB SER 67 7.659 13.045 4.378 516 HG SER 67 HG SER 67 7.158 11.735 1.888 517 H GLU 68 H GLU 68 10.562 10.774 2.057 518 HA GLU 68 HA GLU 68 11.871 13.309 2.198 519 HB2 GLU 68 2HB GLU 68 12.865 12.147 4.204 520 HB3 GLU 68 3HB GLU 68 13.414 10.841 3.147 521 HG2 GLU 68 2HG GLU 68 14.842 12.425 1.903 522 HG3 GLU 68 3HG GLU 68 14.190 13.778 2.837 523 H SER 69 H SER 69 13.216 13.506 0.307 524 HA SER 69 HA SER 69 13.528 13.277 -1.908 525 HB2 SER 69 2HB SER 69 13.897 10.355 -1.189 526 HB3 SER 69 3HB SER 69 14.291 11.073 -2.759 527 HG SER 69 HG SER 69 16.041 10.958 -1.116 Start of MODEL 22 1 H1 MET 1 H1 MET 1 -10.635 -13.564 7.246 2 H2 MET 1 H2 MET 1 -9.912 -12.600 6.120 3 H3 MET 1 H3 MET 1 -10.750 -11.928 7.369 4 HA MET 1 HA MET 1 -11.999 -11.784 5.352 5 HB2 MET 1 2HB MET 1 -10.965 -13.958 4.459 6 HB3 MET 1 3HB MET 1 -12.227 -14.804 5.366 7 HG2 MET 1 2HG MET 1 -12.736 -12.573 3.350 8 HG3 MET 1 3HG MET 1 -12.703 -14.278 2.916 9 HE1 MET 1 3HE MET 1 -16.465 -13.189 2.553 10 HE2 MET 1 1HE MET 1 -15.063 -12.119 2.340 11 HE3 MET 1 2HE MET 1 -15.017 -13.780 1.706 12 H LYS 2 H LYS 2 -12.654 -14.337 7.904 13 HA LYS 2 HA LYS 2 -14.961 -12.605 8.536 14 HB2 LYS 2 2HB LYS 2 -15.676 -14.577 7.122 15 HB3 LYS 2 3HB LYS 2 -15.094 -15.642 8.397 16 HG2 LYS 2 2HG LYS 2 -17.372 -15.345 8.924 17 HG3 LYS 2 3HG LYS 2 -16.554 -14.178 9.979 18 HD2 LYS 2 2HD LYS 2 -16.982 -12.623 7.753 19 HD3 LYS 2 3HD LYS 2 -18.364 -13.726 7.654 20 HE2 LYS 2 2HE LYS 2 -18.925 -13.176 10.036 21 HE3 LYS 2 3HE LYS 2 -17.545 -12.069 10.086 22 HZ1 LYS 2 3HZ LYS 2 -18.596 -10.797 8.317 23 HZ2 LYS 2 1HZ LYS 2 -19.900 -11.801 8.331 24 HZ3 LYS 2 2HZ LYS 2 -19.559 -10.876 9.647 25 H GLN 3 H GLN 3 -14.167 -15.625 10.085 26 HA GLN 3 HA GLN 3 -13.338 -14.317 12.550 27 HB2 GLN 3 2HB GLN 3 -13.012 -17.204 11.574 28 HB3 GLN 3 3HB GLN 3 -12.588 -16.610 13.177 29 HG2 GLN 3 2HG GLN 3 -14.629 -17.412 13.682 30 HG3 GLN 3 3HG GLN 3 -15.102 -15.773 13.245 31 HE21 GLN 3 1HE2 GLN 3 -16.609 -18.445 13.190 32 HE22 GLN 3 2HE2 GLN 3 -17.176 -18.547 11.532 33 H ASP 4 H ASP 4 -11.068 -15.040 13.386 34 HA ASP 4 HA ASP 4 -9.047 -13.751 12.016 35 HB2 ASP 4 2HB ASP 4 -8.879 -15.980 14.087 36 HB3 ASP 4 3HB ASP 4 -7.564 -14.874 13.664 37 H GLY 5 H GLY 5 -6.922 -14.776 11.380 38 HA2 GLY 5 2HA GLY 5 -7.425 -16.932 9.398 39 HA3 GLY 5 3HA GLY 5 -6.030 -15.835 9.448 40 H GLU 6 H GLU 6 -4.564 -17.637 9.384 41 HA GLU 6 HA GLU 6 -4.613 -19.851 11.109 42 HB2 GLU 6 2HB GLU 6 -2.314 -18.406 9.725 43 HB3 GLU 6 3HB GLU 6 -2.155 -19.979 10.532 44 HG2 GLU 6 2HG GLU 6 -3.827 -20.970 9.035 45 HG3 GLU 6 3HG GLU 6 -4.123 -19.407 8.266 46 H GLU 7 H GLU 7 -2.829 -16.726 11.485 47 HA GLU 7 HA GLU 7 -3.423 -16.688 14.272 48 HB2 GLU 7 2HB GLU 7 -1.404 -18.227 14.192 49 HB3 GLU 7 3HB GLU 7 -0.458 -16.876 13.558 50 HG2 GLU 7 2HG GLU 7 -0.591 -15.689 15.597 51 HG3 GLU 7 3HG GLU 7 -2.072 -16.516 16.093 52 H GLY 8 H GLY 8 -2.414 -14.543 15.182 53 HA2 GLY 8 2HA GLY 8 -1.861 -12.556 13.044 54 HA3 GLY 8 3HA GLY 8 -3.255 -12.305 14.118 55 H THR 9 H THR 9 -0.044 -11.481 13.741 56 HA THR 9 HA THR 9 0.238 -10.776 16.571 57 HB THR 9 HB THR 9 0.959 -13.086 16.439 58 HG1 THR 9 1HG THR 9 2.974 -11.162 16.896 59 HG21 THR 9 1HG2 THR 9 2.993 -13.672 15.200 60 HG22 THR 9 2HG2 THR 9 1.720 -13.099 14.105 61 HG23 THR 9 3HG2 THR 9 3.072 -12.025 14.529 62 H GLU 10 H GLU 10 0.300 -9.504 13.573 63 HA GLU 10 HA GLU 10 2.509 -7.691 14.076 64 HB2 GLU 10 2HB GLU 10 3.728 -9.545 13.079 65 HB3 GLU 10 3HB GLU 10 2.479 -9.789 11.863 66 HG2 GLU 10 2HG GLU 10 4.428 -8.791 10.862 67 HG3 GLU 10 3HG GLU 10 3.074 -7.674 10.764 68 H GLU 11 H GLU 11 2.211 -5.803 12.690 69 HA GLU 11 HA GLU 11 -0.593 -5.525 11.873 70 HB2 GLU 11 2HB GLU 11 -0.182 -3.258 11.565 71 HB3 GLU 11 3HB GLU 11 0.562 -3.744 13.105 72 HG2 GLU 11 2HG GLU 11 2.694 -4.061 11.506 73 HG3 GLU 11 3HG GLU 11 1.842 -2.851 10.518 74 H ASP 12 H ASP 12 -0.801 -6.926 10.170 75 HA ASP 12 HA ASP 12 -0.027 -5.837 7.567 76 HB2 ASP 12 2HB ASP 12 1.981 -7.290 8.512 77 HB3 ASP 12 3HB ASP 12 0.933 -8.663 8.154 78 H THR 13 H THR 13 -1.223 -6.740 6.007 79 HA THR 13 HA THR 13 -2.730 -9.151 6.311 80 HB THR 13 HB THR 13 -4.255 -7.792 7.620 81 HG1 THR 13 1HG THR 13 -5.213 -8.383 5.031 82 HG21 THR 13 1HG2 THR 13 -5.467 -5.896 6.570 83 HG22 THR 13 2HG2 THR 13 -3.732 -5.578 6.785 84 HG23 THR 13 3HG2 THR 13 -4.354 -5.993 5.178 85 H GLU 14 H GLU 14 -0.705 -8.310 4.586 86 HA GLU 14 HA GLU 14 -1.338 -6.866 2.410 87 HB2 GLU 14 2HB GLU 14 0.515 -7.815 1.312 88 HB3 GLU 14 3HB GLU 14 0.863 -7.895 3.024 89 HG2 GLU 14 2HG GLU 14 1.623 -9.926 2.364 90 HG3 GLU 14 3HG GLU 14 0.015 -10.349 2.928 91 H GLU 15 H GLU 15 -2.745 -6.968 0.748 92 HA GLU 15 HA GLU 15 -3.168 -9.548 -0.471 93 HB2 GLU 15 2HB GLU 15 -5.446 -7.679 0.321 94 HB3 GLU 15 3HB GLU 15 -5.555 -8.748 -1.078 95 HG2 GLU 15 2HG GLU 15 -5.091 -10.711 0.417 96 HG3 GLU 15 3HG GLU 15 -5.223 -9.618 1.808 97 H LYS 16 H LYS 16 -3.818 -9.272 -2.666 98 HA LYS 16 HA LYS 16 -2.573 -8.139 -4.530 99 HB2 LYS 16 2HB LYS 16 -4.834 -7.537 -5.747 100 HB3 LYS 16 3HB LYS 16 -4.179 -9.147 -5.501 101 HG2 LYS 16 2HG LYS 16 -6.436 -9.189 -5.038 102 HG3 LYS 16 3HG LYS 16 -5.573 -9.520 -3.556 103 HD2 LYS 16 2HD LYS 16 -6.000 -7.202 -2.762 104 HD3 LYS 16 3HD LYS 16 -6.817 -6.814 -4.277 105 HE2 LYS 16 2HE LYS 16 -7.685 -8.973 -2.292 106 HE3 LYS 16 3HE LYS 16 -8.359 -7.344 -2.357 107 HZ1 LYS 16 3HZ LYS 16 -9.074 -7.810 -4.621 108 HZ2 LYS 16 1HZ LYS 16 -8.485 -9.348 -4.512 109 HZ3 LYS 16 2HZ LYS 16 -9.726 -8.878 -3.545 110 H CYS 17 H CYS 17 -1.673 -6.241 -5.165 111 HA CYS 17 HA CYS 17 -1.936 -3.977 -3.532 112 HB2 CYS 17 2HB CYS 17 0.038 -4.711 -4.788 113 HB3 CYS 17 3HB CYS 17 -0.767 -4.091 -6.254 114 H THR 18 H THR 18 -3.418 -2.619 -3.529 115 HA THR 18 HA THR 18 -5.481 -2.492 -5.605 116 HB THR 18 HB THR 18 -6.521 -0.795 -4.069 117 HG1 THR 18 1HG THR 18 -5.590 -0.561 -2.055 118 HG21 THR 18 1HG2 THR 18 -7.048 -3.237 -3.930 119 HG22 THR 18 2HG2 THR 18 -5.731 -3.439 -2.758 120 HG23 THR 18 3HG2 THR 18 -7.144 -2.445 -2.346 121 H ILE 19 H ILE 19 -2.730 -0.514 -4.593 122 HA ILE 19 HA ILE 19 -3.521 1.819 -6.073 123 HB ILE 19 HB ILE 19 -0.904 0.811 -4.855 124 HG12 ILE 19 2HG1 ILE 19 -1.616 3.090 -3.517 125 HG13 ILE 19 3HG1 ILE 19 -3.215 2.501 -3.906 126 HG21 ILE 19 1HG2 ILE 19 -0.335 2.254 -6.697 127 HG22 ILE 19 2HG2 ILE 19 -1.490 3.491 -6.136 128 HG23 ILE 19 3HG2 ILE 19 -0.039 3.094 -5.174 129 HD11 ILE 19 3HD1 ILE 19 -2.256 1.779 -1.684 130 HD12 ILE 19 1HD1 ILE 19 -2.768 0.423 -2.707 131 HD13 ILE 19 2HD1 ILE 19 -1.040 0.834 -2.549 132 H CYS 20 H CYS 20 -1.667 -1.138 -6.713 133 HA CYS 20 HA CYS 20 -0.940 -0.246 -9.461 134 HB2 CYS 20 2HB CYS 20 -0.597 -2.881 -8.087 135 HB3 CYS 20 3HB CYS 20 -0.002 -2.457 -9.689 136 H LEU 21 H LEU 21 -3.855 -1.033 -8.152 137 HA LEU 21 HA LEU 21 -5.596 -2.381 -8.590 138 HB2 LEU 21 2HB LEU 21 -5.110 -1.010 -11.168 139 HB3 LEU 21 3HB LEU 21 -6.425 -2.179 -10.973 140 HG LEU 21 HG LEU 21 -6.991 -0.892 -8.795 141 HD11 LEU 21 1HD1 LEU 21 -6.582 1.512 -8.916 142 HD12 LEU 21 2HD1 LEU 21 -5.044 0.643 -8.916 143 HD13 LEU 21 3HD1 LEU 21 -5.666 1.315 -10.434 144 HD21 LEU 21 3HD2 LEU 21 -8.553 0.526 -10.092 145 HD22 LEU 21 1HD2 LEU 21 -7.619 0.193 -11.572 146 HD23 LEU 21 2HD2 LEU 21 -8.470 -1.125 -10.732 147 H SER 22 H SER 22 -3.403 -4.026 -8.362 148 HA SER 22 HA SER 22 -4.291 -6.335 -9.849 149 HB2 SER 22 2HB SER 22 -2.903 -5.076 -11.572 150 HB3 SER 22 3HB SER 22 -1.495 -5.344 -10.527 151 HG SER 22 HG SER 22 -1.766 -6.965 -12.137 152 H ILE 23 H ILE 23 -2.716 -8.215 -9.464 153 HA ILE 23 HA ILE 23 -2.256 -8.586 -6.706 154 HB ILE 23 HB ILE 23 -1.106 -10.647 -7.431 155 HG12 ILE 23 2HG1 ILE 23 -1.752 -11.244 -9.905 156 HG13 ILE 23 3HG1 ILE 23 -1.524 -9.541 -10.235 157 HG21 ILE 23 1HG2 ILE 23 -3.148 -11.707 -8.270 158 HG22 ILE 23 2HG2 ILE 23 -3.452 -10.626 -6.921 159 HG23 ILE 23 3HG2 ILE 23 -3.858 -10.105 -8.579 160 HD11 ILE 23 3HD1 ILE 23 0.487 -11.381 -8.913 161 HD12 ILE 23 1HD1 ILE 23 0.527 -10.839 -10.609 162 HD13 ILE 23 2HD1 ILE 23 0.741 -9.658 -9.299 163 H LEU 24 H LEU 24 -0.343 -8.868 -5.503 164 HA LEU 24 HA LEU 24 1.821 -7.084 -6.157 165 HB2 LEU 24 2HB LEU 24 1.153 -9.109 -3.984 166 HB3 LEU 24 3HB LEU 24 2.810 -8.595 -4.188 167 HG LEU 24 HG LEU 24 0.479 -6.738 -3.714 168 HD11 LEU 24 1HD1 LEU 24 1.445 -6.402 -1.459 169 HD12 LEU 24 2HD1 LEU 24 1.006 -8.099 -1.711 170 HD13 LEU 24 3HD1 LEU 24 2.708 -7.603 -1.818 171 HD21 LEU 24 3HD2 LEU 24 3.471 -6.225 -3.872 172 HD22 LEU 24 1HD2 LEU 24 2.184 -5.532 -4.887 173 HD23 LEU 24 2HD2 LEU 24 2.305 -5.065 -3.196 174 H GLU 25 H GLU 25 4.018 -7.888 -6.202 175 HA GLU 25 HA GLU 25 4.399 -10.452 -7.579 176 HB2 GLU 25 2HB GLU 25 5.669 -9.334 -9.411 177 HB3 GLU 25 3HB GLU 25 3.921 -9.029 -9.458 178 HG2 GLU 25 2HG GLU 25 4.209 -6.848 -8.431 179 HG3 GLU 25 3HG GLU 25 5.929 -7.153 -8.164 180 H GLU 26 H GLU 26 6.654 -11.136 -7.456 181 HA GLU 26 HA GLU 26 8.183 -9.907 -5.341 182 HB2 GLU 26 2HB GLU 26 8.704 -12.260 -7.204 183 HB3 GLU 26 3HB GLU 26 9.784 -11.753 -5.887 184 HG2 GLU 26 2HG GLU 26 7.946 -12.090 -4.251 185 HG3 GLU 26 3HG GLU 26 6.880 -12.634 -5.554 186 H GLY 27 H GLY 27 8.143 -7.818 -6.596 187 HA2 GLY 27 2HA GLY 27 9.982 -7.711 -8.930 188 HA3 GLY 27 3HA GLY 27 8.942 -6.403 -8.337 189 H GLU 28 H GLU 28 9.553 -5.758 -5.865 190 HA GLU 28 HA GLU 28 12.401 -5.954 -5.345 191 HB2 GLU 28 2HB GLU 28 11.552 -3.787 -6.690 192 HB3 GLU 28 3HB GLU 28 11.016 -3.295 -5.091 193 HG2 GLU 28 2HG GLU 28 13.603 -4.321 -4.661 194 HG3 GLU 28 3HG GLU 28 13.747 -3.559 -6.242 195 H ASP 29 H ASP 29 12.140 -4.070 -3.202 196 HA ASP 29 HA ASP 29 11.004 -5.936 -1.227 197 HB2 ASP 29 2HB ASP 29 13.216 -4.783 -0.876 198 HB3 ASP 29 3HB ASP 29 12.352 -3.242 -0.773 199 H VAL 30 H VAL 30 9.320 -5.299 0.245 200 HA VAL 30 HA VAL 30 7.445 -3.388 -1.014 201 HB VAL 30 HB VAL 30 5.710 -4.750 0.097 202 HG11 VAL 30 1HG1 VAL 30 5.668 -6.395 -1.625 203 HG12 VAL 30 2HG1 VAL 30 6.393 -4.912 -2.271 204 HG13 VAL 30 3HG1 VAL 30 7.440 -6.277 -1.854 205 HG21 VAL 30 3HG2 VAL 30 6.187 -6.970 0.863 206 HG22 VAL 30 1HG2 VAL 30 7.912 -6.786 0.473 207 HG23 VAL 30 2HG2 VAL 30 7.188 -5.819 1.782 208 H ARG 31 H ARG 31 5.691 -2.722 0.768 209 HA ARG 31 HA ARG 31 6.828 -2.342 3.353 210 HB2 ARG 31 2HB ARG 31 7.747 -0.426 1.543 211 HB3 ARG 31 3HB ARG 31 6.365 0.366 2.265 212 HG2 ARG 31 2HG ARG 31 8.394 0.926 3.519 213 HG3 ARG 31 3HG ARG 31 7.413 -0.143 4.561 214 HD2 ARG 31 2HD ARG 31 8.729 -2.079 3.895 215 HD3 ARG 31 3HD ARG 31 9.525 -1.128 2.612 216 HE ARG 31 HE ARG 31 10.172 -0.057 5.165 217 HH11 ARG 31 2HH2 ARG 31 10.544 -2.872 3.011 218 HH12 ARG 31 1HH2 ARG 31 12.173 -3.170 3.333 219 HH21 ARG 31 2HH1 ARG 31 12.402 -0.595 5.869 220 HH22 ARG 31 1HH1 ARG 31 13.210 -1.950 5.147 221 H ARG 32 H ARG 32 5.363 -1.566 4.928 222 HA ARG 32 HA ARG 32 2.635 -1.464 3.875 223 HB2 ARG 32 2HB ARG 32 1.953 -2.375 6.007 224 HB3 ARG 32 3HB ARG 32 3.288 -3.350 5.407 225 HG2 ARG 32 2HG ARG 32 4.791 -1.809 6.932 226 HG3 ARG 32 3HG ARG 32 3.245 -1.374 7.704 227 HD2 ARG 32 2HD ARG 32 2.784 -3.857 7.900 228 HD3 ARG 32 3HD ARG 32 4.423 -4.147 7.316 229 HE ARG 32 HE ARG 32 4.036 -2.490 9.782 230 HH11 ARG 32 2HH2 ARG 32 4.750 -5.724 8.480 231 HH12 ARG 32 1HH2 ARG 32 5.620 -6.191 9.919 232 HH21 ARG 32 2HH1 ARG 32 4.985 -3.241 11.680 233 HH22 ARG 32 1HH1 ARG 32 5.526 -4.901 11.782 234 H LEU 33 H LEU 33 1.129 -0.054 4.824 235 HA LEU 33 HA LEU 33 2.374 2.542 5.526 236 HB2 LEU 33 2HB LEU 33 -0.570 1.878 5.832 237 HB3 LEU 33 3HB LEU 33 0.219 3.445 5.697 238 HG LEU 33 HG LEU 33 0.897 2.508 3.349 239 HD11 LEU 33 1HD1 LEU 33 -1.311 1.407 2.434 240 HD12 LEU 33 2HD1 LEU 33 -0.126 0.368 3.240 241 HD13 LEU 33 3HD1 LEU 33 -1.579 0.914 4.105 242 HD21 LEU 33 3HD2 LEU 33 -1.062 3.687 2.405 243 HD22 LEU 33 1HD2 LEU 33 -1.818 3.675 4.016 244 HD23 LEU 33 2HD2 LEU 33 -0.302 4.574 3.728 245 HA PRO 34 HA PRO 34 2.263 1.397 9.882 246 HB2 PRO 34 2HB PRO 34 2.114 3.890 11.084 247 HB3 PRO 34 3HB PRO 34 3.587 3.156 10.391 248 HG2 PRO 34 2HG PRO 34 1.756 5.194 9.138 249 HG3 PRO 34 3HG PRO 34 3.540 5.147 9.130 250 HD2 PRO 34 2HD PRO 34 2.026 4.273 7.014 251 HD3 PRO 34 3HD PRO 34 3.594 3.526 7.437 252 H CYS 35 H CYS 35 -0.357 2.226 8.160 253 HA CYS 35 HA CYS 35 -2.560 2.377 10.086 254 HB2 CYS 35 2HB CYS 35 -2.891 2.898 7.748 255 HB3 CYS 35 3HB CYS 35 -2.223 1.320 7.299 256 H MET 36 H MET 36 -0.849 -0.247 8.338 257 HA MET 36 HA MET 36 -0.730 -2.444 9.699 258 HB2 MET 36 2HB MET 36 -2.744 -2.319 10.966 259 HB3 MET 36 3HB MET 36 -3.713 -1.882 9.541 260 HG2 MET 36 2HG MET 36 -3.432 -4.143 8.647 261 HG3 MET 36 3HG MET 36 -2.382 -4.570 10.008 262 HE1 MET 36 3HE MET 36 -5.669 -6.649 10.624 263 HE2 MET 36 1HE MET 36 -5.070 -6.181 9.019 264 HE3 MET 36 2HE MET 36 -3.923 -6.709 10.275 265 H HIS 37 H HIS 37 -2.871 -1.288 7.020 266 HA HIS 37 HA HIS 37 -2.562 -3.769 5.609 267 HB2 HIS 37 1HB HIS 37 -3.216 -1.062 4.447 268 HB3 HIS 37 2HB HIS 37 -3.519 -2.597 3.696 269 HD2 HIS 37 2HD HIS 37 -5.353 -4.222 4.655 270 HE1 HIS 37 1HE HIS 37 -7.562 -1.368 6.912 271 HE2 HIS 37 2HE HIS 37 -7.549 -3.779 6.021 272 H LEU 38 H LEU 38 -1.198 -4.363 4.001 273 HA LEU 38 HA LEU 38 1.291 -2.784 3.705 274 HB2 LEU 38 2HB LEU 38 1.608 -4.920 4.686 275 HB3 LEU 38 3HB LEU 38 0.789 -5.726 3.343 276 HG LEU 38 HG LEU 38 3.237 -4.087 2.803 277 HD11 LEU 38 1HD1 LEU 38 3.334 -6.917 3.885 278 HD12 LEU 38 2HD1 LEU 38 4.715 -5.994 3.255 279 HD13 LEU 38 3HD1 LEU 38 3.888 -5.479 4.739 280 HD21 LEU 38 3HD2 LEU 38 2.591 -6.845 1.689 281 HD22 LEU 38 1HD2 LEU 38 1.853 -5.425 0.965 282 HD23 LEU 38 2HD2 LEU 38 3.616 -5.591 0.987 283 H PHE 39 H PHE 39 2.412 -2.649 1.662 284 HA PHE 39 HA PHE 39 1.046 -3.559 -0.744 285 HB2 PHE 39 2HB PHE 39 1.411 -0.604 -0.093 286 HB3 PHE 39 3HB PHE 39 1.265 -1.149 -1.755 287 HD1 PHE 39 1HD PHE 39 -0.668 -3.069 -2.023 288 HD2 PHE 39 2HD PHE 39 -0.606 0.114 0.843 289 HE1 PHE 39 1HE PHE 39 -3.135 -3.305 -1.724 290 HE2 PHE 39 2HE PHE 39 -3.073 -0.086 1.123 291 HZ PHE 39 HZ PHE 39 -4.337 -1.746 -0.301 292 H HIS 40 H HIS 40 2.526 -2.365 -2.731 293 HA HIS 40 HA HIS 40 5.245 -3.256 -2.281 294 HB2 HIS 40 1HB HIS 40 4.149 -1.323 -4.347 295 HB3 HIS 40 2HB HIS 40 5.787 -1.874 -4.286 296 HD2 HIS 40 2HD HIS 40 6.313 -4.455 -4.930 297 HE1 HIS 40 1HE HIS 40 2.999 -4.572 -7.610 298 HE2 HIS 40 2HE HIS 40 5.217 -5.666 -6.978 299 H GLN 41 H GLN 41 7.040 -1.915 -1.954 300 HA GLN 41 HA GLN 41 6.817 0.339 -0.257 301 HB2 GLN 41 2HB GLN 41 8.809 -1.220 -0.475 302 HB3 GLN 41 3HB GLN 41 8.976 -0.690 -2.149 303 HG2 GLN 41 2HG GLN 41 9.396 1.678 -1.124 304 HG3 GLN 41 3HG GLN 41 9.665 0.804 0.386 305 HE21 GLN 41 1HE2 GLN 41 10.751 -1.531 -1.709 306 HE22 GLN 41 2HE2 GLN 41 12.324 -0.952 -2.071 307 H VAL 42 H VAL 42 7.809 0.085 -3.655 308 HA VAL 42 HA VAL 42 7.900 2.870 -4.080 309 HB VAL 42 HB VAL 42 8.575 0.672 -5.486 310 HG11 VAL 42 1HG1 VAL 42 6.279 1.760 -7.142 311 HG12 VAL 42 2HG1 VAL 42 7.440 0.505 -7.601 312 HG13 VAL 42 3HG1 VAL 42 6.288 0.192 -6.293 313 HG21 VAL 42 3HG2 VAL 42 9.243 2.198 -7.317 314 HG22 VAL 42 1HG2 VAL 42 8.163 3.451 -6.658 315 HG23 VAL 42 2HG2 VAL 42 9.573 2.898 -5.725 316 H CYS 43 H CYS 43 5.174 0.821 -3.786 317 HA CYS 43 HA CYS 43 3.260 2.655 -5.266 318 HB2 CYS 43 2HB CYS 43 2.927 0.227 -3.510 319 HB3 CYS 43 3HB CYS 43 1.625 1.249 -4.063 320 H VAL 44 H VAL 44 4.243 1.825 -1.845 321 HA VAL 44 HA VAL 44 2.146 3.298 -0.684 322 HB VAL 44 HB VAL 44 4.098 1.563 0.136 323 HG11 VAL 44 1HG1 VAL 44 5.510 2.568 1.800 324 HG12 VAL 44 2HG1 VAL 44 5.843 3.295 0.223 325 HG13 VAL 44 3HG1 VAL 44 4.889 4.190 1.431 326 HG21 VAL 44 3HG2 VAL 44 3.210 1.908 2.393 327 HG22 VAL 44 1HG2 VAL 44 2.487 3.453 1.865 328 HG23 VAL 44 2HG2 VAL 44 1.931 1.909 1.162 329 H ASP 45 H ASP 45 5.136 4.136 -2.101 330 HA ASP 45 HA ASP 45 5.410 6.840 -0.994 331 HB2 ASP 45 2HB ASP 45 7.404 5.788 -1.855 332 HB3 ASP 45 3HB ASP 45 6.640 5.444 -3.408 333 H GLN 46 H GLN 46 4.762 5.946 -4.442 334 HA GLN 46 HA GLN 46 3.768 8.508 -5.048 335 HB2 GLN 46 2HB GLN 46 3.178 5.837 -6.398 336 HB3 GLN 46 3HB GLN 46 2.790 7.431 -7.079 337 HG2 GLN 46 2HG GLN 46 5.200 8.063 -6.944 338 HG3 GLN 46 3HG GLN 46 5.583 6.448 -6.333 339 HE21 GLN 46 1HE2 GLN 46 6.998 6.085 -8.157 340 HE22 GLN 46 2HE2 GLN 46 6.297 5.740 -9.740 341 H TRP 47 H TRP 47 2.165 5.863 -3.453 342 HA TRP 47 HA TRP 47 -0.508 6.825 -3.816 343 HB2 TRP 47 2HB TRP 47 0.070 4.514 -3.085 344 HB3 TRP 47 3HB TRP 47 0.621 5.155 -1.534 345 HD1 TRP 47 HD1 TRP 47 -1.214 4.863 0.227 346 HE1 TRP 47 HE1 TRP 47 -3.798 4.880 0.265 347 HE3 TRP 47 HE3 TRP 47 -2.159 5.991 -4.704 348 HZ2 TRP 47 HZ2 TRP 47 -5.894 4.946 -1.624 349 HZ3 TRP 47 HZ3 TRP 47 -4.438 6.237 -5.489 350 HH2 TRP 47 HH2 TRP 47 -6.372 5.637 -4.001 351 H LEU 48 H LEU 48 1.739 7.072 -0.999 352 HA LEU 48 HA LEU 48 0.377 8.914 0.509 353 HB2 LEU 48 2HB LEU 48 3.203 8.082 0.077 354 HB3 LEU 48 3HB LEU 48 3.047 9.654 0.756 355 HG LEU 48 HG LEU 48 1.725 7.140 1.874 356 HD11 LEU 48 1HD1 LEU 48 4.186 7.090 2.006 357 HD12 LEU 48 2HD1 LEU 48 4.185 8.680 2.801 358 HD13 LEU 48 3HD1 LEU 48 3.467 7.269 3.616 359 HD21 LEU 48 3HD2 LEU 48 0.463 9.093 2.615 360 HD22 LEU 48 1HD2 LEU 48 1.473 8.556 3.955 361 HD23 LEU 48 2HD2 LEU 48 1.961 9.971 2.993 362 H ILE 49 H ILE 49 2.416 9.608 -2.372 363 HA ILE 49 HA ILE 49 2.242 12.420 -2.254 364 HB ILE 49 HB ILE 49 2.588 10.500 -4.555 365 HG12 ILE 49 2HG1 ILE 49 4.334 10.390 -2.786 366 HG13 ILE 49 3HG1 ILE 49 4.888 10.821 -4.392 367 HG21 ILE 49 1HG2 ILE 49 3.603 12.448 -5.756 368 HG22 ILE 49 2HG2 ILE 49 1.845 12.508 -5.567 369 HG23 ILE 49 3HG2 ILE 49 2.869 13.501 -4.514 370 HD11 ILE 49 3HD1 ILE 49 4.348 12.788 -2.157 371 HD12 ILE 49 1HD1 ILE 49 5.947 12.178 -2.642 372 HD13 ILE 49 2HD1 ILE 49 5.002 13.170 -3.772 373 H THR 50 H THR 50 -0.057 10.000 -3.647 374 HA THR 50 HA THR 50 -1.694 12.217 -4.728 375 HB THR 50 HB THR 50 -3.080 10.301 -5.617 376 HG1 THR 50 1HG THR 50 -0.822 8.718 -4.999 377 HG21 THR 50 1HG2 THR 50 -1.412 11.459 -7.015 378 HG22 THR 50 2HG2 THR 50 -0.136 10.371 -6.426 379 HG23 THR 50 3HG2 THR 50 -1.476 9.728 -7.401 380 H ASN 51 H ASN 51 -2.505 9.222 -2.861 381 HA ASN 51 HA ASN 51 -4.526 10.807 -1.347 382 HB2 ASN 51 2HB ASN 51 -4.218 7.870 -2.052 383 HB3 ASN 51 3HB ASN 51 -5.287 8.420 -0.777 384 HD21 ASN 51 1HD2 ASN 51 -4.685 8.550 -4.275 385 HD22 ASN 51 2HD2 ASN 51 -6.309 9.094 -4.692 386 H LYS 52 H LYS 52 -3.446 11.559 0.471 387 HA LYS 52 HA LYS 52 -1.445 9.972 1.824 388 HB2 LYS 52 2HB LYS 52 -1.759 12.564 1.736 389 HB3 LYS 52 3HB LYS 52 -2.964 12.314 3.006 390 HG2 LYS 52 2HG LYS 52 -1.009 10.966 4.186 391 HG3 LYS 52 3HG LYS 52 0.035 11.815 3.052 392 HD2 LYS 52 2HD LYS 52 -0.697 13.978 3.883 393 HD3 LYS 52 3HD LYS 52 -1.965 13.238 4.872 394 HE2 LYS 52 2HE LYS 52 1.030 12.828 5.257 395 HE3 LYS 52 3HE LYS 52 0.001 13.904 6.218 396 HZ1 LYS 52 3HZ LYS 52 -1.280 11.948 6.900 397 HZ2 LYS 52 1HZ LYS 52 -0.269 10.963 6.060 398 HZ3 LYS 52 2HZ LYS 52 0.249 11.821 7.364 399 H LYS 53 H LYS 53 -3.973 8.426 1.569 400 HA LYS 53 HA LYS 53 -4.802 8.128 4.374 401 HB2 LYS 53 2HB LYS 53 -6.773 8.393 2.045 402 HB3 LYS 53 3HB LYS 53 -7.142 8.115 3.740 403 HG2 LYS 53 2HG LYS 53 -6.150 10.274 4.371 404 HG3 LYS 53 3HG LYS 53 -5.715 10.602 2.699 405 HD2 LYS 53 2HD LYS 53 -7.537 11.905 2.992 406 HD3 LYS 53 3HD LYS 53 -8.201 10.508 2.140 407 HE2 LYS 53 2HE LYS 53 -9.637 10.080 3.861 408 HE3 LYS 53 3HE LYS 53 -8.302 10.089 5.031 409 HZ1 LYS 53 3HZ LYS 53 -9.545 12.571 4.048 410 HZ2 LYS 53 1HZ LYS 53 -9.921 11.810 5.480 411 HZ3 LYS 53 2HZ LYS 53 -8.418 12.368 5.252 412 H CYS 54 H CYS 54 -5.802 6.037 4.676 413 HA CYS 54 HA CYS 54 -4.243 3.944 3.278 414 HB2 CYS 54 2HB CYS 54 -4.973 3.826 5.633 415 HB3 CYS 54 3HB CYS 54 -6.661 3.830 5.074 416 HA PRO 55 HA PRO 55 -7.231 3.832 -0.076 417 HB2 PRO 55 2HB PRO 55 -6.411 1.145 -0.817 418 HB3 PRO 55 3HB PRO 55 -6.149 2.643 -1.720 419 HG2 PRO 55 2HG PRO 55 -4.227 1.086 -0.402 420 HG3 PRO 55 3HG PRO 55 -4.022 2.759 -0.918 421 HD2 PRO 55 2HD PRO 55 -4.542 1.688 1.812 422 HD3 PRO 55 3HD PRO 55 -3.743 3.206 1.341 423 H ILE 56 H ILE 56 -6.712 0.963 2.061 424 HA ILE 56 HA ILE 56 -9.291 -0.182 1.441 425 HB ILE 56 HB ILE 56 -7.472 -0.803 3.798 426 HG12 ILE 56 2HG1 ILE 56 -7.004 -2.873 2.320 427 HG13 ILE 56 3HG1 ILE 56 -7.495 -1.875 0.955 428 HG21 ILE 56 1HG2 ILE 56 -8.721 -2.948 3.772 429 HG22 ILE 56 2HG2 ILE 56 -9.799 -1.580 4.061 430 HG23 ILE 56 3HG2 ILE 56 -9.735 -2.329 2.453 431 HD11 ILE 56 3HD1 ILE 56 -5.430 -0.813 2.912 432 HD12 ILE 56 1HD1 ILE 56 -4.968 -2.057 1.756 433 HD13 ILE 56 2HD1 ILE 56 -5.600 -0.497 1.172 434 H CYS 57 H CYS 57 -7.884 1.191 4.453 435 HA CYS 57 HA CYS 57 -10.561 1.282 5.675 436 HB2 CYS 57 2HB CYS 57 -9.277 1.798 7.681 437 HB3 CYS 57 3HB CYS 57 -8.837 0.304 6.921 438 H ARG 58 H ARG 58 -8.706 3.516 3.802 439 HA ARG 58 HA ARG 58 -9.334 5.511 3.005 440 HB2 ARG 58 2HB ARG 58 -11.542 3.981 3.255 441 HB3 ARG 58 3HB ARG 58 -12.043 5.313 4.290 442 HG2 ARG 58 2HG ARG 58 -11.133 5.514 1.373 443 HG3 ARG 58 3HG ARG 58 -12.807 5.494 1.945 444 HD2 ARG 58 2HD ARG 58 -12.242 7.544 3.337 445 HD3 ARG 58 3HD ARG 58 -10.720 7.633 2.444 446 HE ARG 58 HE ARG 58 -13.494 7.831 1.339 447 HH11 ARG 58 2HH2 ARG 58 -10.062 8.571 0.902 448 HH12 ARG 58 1HH2 ARG 58 -10.303 9.675 -0.404 449 HH21 ARG 58 2HH1 ARG 58 -13.839 9.274 -0.412 450 HH22 ARG 58 1HH1 ARG 58 -12.513 10.077 -1.165 451 H VAL 59 H VAL 59 -8.175 5.424 5.809 452 HA VAL 59 HA VAL 59 -9.066 8.174 6.564 453 HB VAL 59 HB VAL 59 -8.751 7.762 8.769 454 HG11 VAL 59 1HG1 VAL 59 -10.719 6.566 7.691 455 HG12 VAL 59 2HG1 VAL 59 -9.748 5.076 7.839 456 HG13 VAL 59 3HG1 VAL 59 -10.252 5.954 9.301 457 HG21 VAL 59 3HG2 VAL 59 -6.651 6.687 8.920 458 HG22 VAL 59 1HG2 VAL 59 -7.813 5.657 9.762 459 HG23 VAL 59 2HG2 VAL 59 -7.261 5.202 8.131 460 H ASP 60 H ASP 60 -7.374 9.600 7.428 461 HA ASP 60 HA ASP 60 -4.909 9.217 6.037 462 HB2 ASP 60 2HB ASP 60 -5.419 11.129 8.366 463 HB3 ASP 60 3HB ASP 60 -4.291 11.289 7.051 464 H ILE 61 H ILE 61 -3.461 7.800 6.746 465 HA ILE 61 HA ILE 61 -3.559 6.220 8.849 466 HB ILE 61 HB ILE 61 -0.983 7.258 7.645 467 HG12 ILE 61 2HG1 ILE 61 -1.537 4.949 6.313 468 HG13 ILE 61 3HG1 ILE 61 -3.181 5.500 6.539 469 HG21 ILE 61 1HG2 ILE 61 -1.793 4.666 8.982 470 HG22 ILE 61 2HG2 ILE 61 -0.254 4.916 8.112 471 HG23 ILE 61 3HG2 ILE 61 -0.617 5.852 9.576 472 HD11 ILE 61 3HD1 ILE 61 -2.723 7.483 5.212 473 HD12 ILE 61 1HD1 ILE 61 -0.976 7.271 5.400 474 HD13 ILE 61 2HD1 ILE 61 -1.924 6.165 4.380 475 H GLU 62 H GLU 62 -2.295 9.485 8.829 476 HA GLU 62 HA GLU 62 -2.822 10.141 11.315 477 HB2 GLU 62 2HB GLU 62 -0.396 8.533 11.491 478 HB3 GLU 62 3HB GLU 62 0.029 10.205 11.832 479 HG2 GLU 62 2HG GLU 62 -2.005 10.313 13.366 480 HG3 GLU 62 3HG GLU 62 -2.126 8.559 13.204 481 H ALA 63 H ALA 63 -1.311 12.219 11.993 482 HA ALA 63 HA ALA 63 0.165 13.327 9.781 483 HB1 ALA 63 1HB ALA 63 -1.052 15.491 9.768 484 HB2 ALA 63 2HB ALA 63 -2.102 14.169 9.218 485 HB3 ALA 63 3HB ALA 63 -2.274 14.814 10.867 486 H GLN 64 H GLN 64 1.453 15.180 10.570 487 HA GLN 64 HA GLN 64 1.450 15.667 13.456 488 HB2 GLN 64 2HB GLN 64 3.887 14.709 11.876 489 HB3 GLN 64 3HB GLN 64 3.967 15.464 13.474 490 HG2 GLN 64 2HG GLN 64 2.579 13.634 14.421 491 HG3 GLN 64 3HG GLN 64 2.535 12.850 12.836 492 HE21 GLN 64 1HE2 GLN 64 4.586 13.559 15.662 493 HE22 GLN 64 2HE2 GLN 64 5.906 12.538 15.107 494 H LEU 65 H LEU 65 3.076 17.589 13.769 495 HA LEU 65 HA LEU 65 2.158 19.749 12.257 496 HB2 LEU 65 2HB LEU 65 3.987 21.029 13.325 497 HB3 LEU 65 3HB LEU 65 3.003 20.098 14.436 498 HG LEU 65 HG LEU 65 5.237 18.419 13.697 499 HD11 LEU 65 1HD1 LEU 65 7.116 19.779 14.492 500 HD12 LEU 65 2HD1 LEU 65 6.403 20.508 13.044 501 HD13 LEU 65 3HD1 LEU 65 6.058 21.200 14.647 502 HD21 LEU 65 3HD2 LEU 65 3.967 18.325 15.810 503 HD22 LEU 65 1HD2 LEU 65 5.706 18.513 16.089 504 HD23 LEU 65 2HD2 LEU 65 4.625 19.909 16.274 505 HA PRO 66 HA PRO 66 4.812 19.002 8.684 506 HB2 PRO 66 2HB PRO 66 3.504 20.505 6.842 507 HB3 PRO 66 3HB PRO 66 2.762 19.012 7.503 508 HG2 PRO 66 2HG PRO 66 2.290 21.875 8.407 509 HG3 PRO 66 3HG PRO 66 1.063 20.634 7.991 510 HD2 PRO 66 2HD PRO 66 1.884 21.129 10.569 511 HD3 PRO 66 3HD PRO 66 1.392 19.499 10.016 512 H SER 67 H SER 67 6.179 20.427 7.250 513 HA SER 67 HA SER 67 6.608 23.183 8.148 514 HB2 SER 67 2HB SER 67 7.684 21.987 9.958 515 HB3 SER 67 3HB SER 67 8.488 20.887 8.828 516 HG SER 67 HG SER 67 9.672 22.620 8.043 517 H GLU 68 H GLU 68 6.128 23.447 5.800 518 HA GLU 68 HA GLU 68 8.503 22.909 4.124 519 HB2 GLU 68 2HB GLU 68 5.593 22.281 3.464 520 HB3 GLU 68 3HB GLU 68 6.873 22.419 2.247 521 HG2 GLU 68 2HG GLU 68 8.108 20.567 3.249 522 HG3 GLU 68 3HG GLU 68 6.948 20.455 4.580 523 H SER 69 H SER 69 9.046 24.724 2.985 524 HA SER 69 HA SER 69 7.205 26.762 2.176 525 HB2 SER 69 2HB SER 69 9.306 27.267 4.323 526 HB3 SER 69 3HB SER 69 8.770 28.534 3.203 527 HG SER 69 HG SER 69 7.510 28.635 5.052 Start of MODEL 23 1 H1 MET 1 H1 MET 1 -6.894 -21.203 -5.797 2 H2 MET 1 H2 MET 1 -5.935 -21.027 -7.140 3 H3 MET 1 H3 MET 1 -6.263 -19.739 -6.144 4 HA MET 1 HA MET 1 -7.535 -19.585 -8.152 5 HB2 MET 1 2HB MET 1 -8.082 -22.409 -7.461 6 HB3 MET 1 3HB MET 1 -9.544 -21.508 -7.879 7 HG2 MET 1 2HG MET 1 -8.480 -22.470 -9.885 8 HG3 MET 1 3HG MET 1 -8.557 -20.706 -9.940 9 HE1 MET 1 3HE MET 1 -6.783 -20.304 -11.805 10 HE2 MET 1 1HE MET 1 -5.312 -21.291 -11.942 11 HE3 MET 1 2HE MET 1 -6.911 -22.067 -12.013 12 H LYS 2 H LYS 2 -10.330 -19.563 -7.771 13 HA LYS 2 HA LYS 2 -10.595 -17.856 -5.417 14 HB2 LYS 2 2HB LYS 2 -12.914 -17.670 -6.049 15 HB3 LYS 2 3HB LYS 2 -11.941 -17.465 -7.493 16 HG2 LYS 2 2HG LYS 2 -12.759 -20.294 -7.089 17 HG3 LYS 2 3HG LYS 2 -14.129 -19.186 -7.137 18 HD2 LYS 2 2HD LYS 2 -13.337 -18.282 -9.300 19 HD3 LYS 2 3HD LYS 2 -11.976 -19.432 -9.277 20 HE2 LYS 2 2HE LYS 2 -13.537 -21.330 -9.220 21 HE3 LYS 2 3HE LYS 2 -14.916 -20.229 -9.094 22 HZ1 LYS 2 3HZ LYS 2 -14.633 -21.020 -11.332 23 HZ2 LYS 2 1HZ LYS 2 -14.389 -19.396 -11.287 24 HZ3 LYS 2 2HZ LYS 2 -13.105 -20.422 -11.418 25 H GLN 3 H GLN 3 -12.549 -18.462 -3.936 26 HA GLN 3 HA GLN 3 -13.470 -19.791 -2.357 27 HB2 GLN 3 2HB GLN 3 -13.407 -21.550 -4.488 28 HB3 GLN 3 3HB GLN 3 -12.471 -22.430 -3.278 29 HG2 GLN 3 2HG GLN 3 -14.345 -22.456 -1.769 30 HG3 GLN 3 3HG GLN 3 -15.176 -21.171 -2.662 31 HE21 GLN 3 1HE2 GLN 3 -16.767 -21.804 -4.129 32 HE22 GLN 3 2HE2 GLN 3 -16.836 -23.440 -4.776 33 H ASP 4 H ASP 4 -12.568 -21.637 -0.716 34 HA ASP 4 HA ASP 4 -11.315 -21.557 1.184 35 HB2 ASP 4 2HB ASP 4 -9.545 -22.717 -0.981 36 HB3 ASP 4 3HB ASP 4 -9.385 -23.015 0.760 37 H GLY 5 H GLY 5 -11.164 -19.157 1.341 38 HA2 GLY 5 2HA GLY 5 -8.606 -17.934 0.610 39 HA3 GLY 5 3HA GLY 5 -9.947 -17.161 1.467 40 H GLU 6 H GLU 6 -10.307 -18.021 3.760 41 HA GLU 6 HA GLU 6 -9.663 -18.480 5.864 42 HB2 GLU 6 2HB GLU 6 -8.168 -20.309 4.739 43 HB3 GLU 6 3HB GLU 6 -6.831 -19.203 5.123 44 HG2 GLU 6 2HG GLU 6 -7.679 -19.143 7.507 45 HG3 GLU 6 3HG GLU 6 -8.872 -20.368 7.063 46 H GLU 7 H GLU 7 -6.896 -16.991 4.112 47 HA GLU 7 HA GLU 7 -6.342 -15.111 6.229 48 HB2 GLU 7 2HB GLU 7 -4.725 -14.189 4.672 49 HB3 GLU 7 3HB GLU 7 -4.657 -15.955 4.643 50 HG2 GLU 7 2HG GLU 7 -6.196 -15.836 2.570 51 HG3 GLU 7 3HG GLU 7 -5.876 -14.101 2.556 52 H GLY 8 H GLY 8 -6.274 -12.685 5.664 53 HA2 GLY 8 2HA GLY 8 -7.256 -10.773 4.710 54 HA3 GLY 8 3HA GLY 8 -8.550 -11.765 4.027 55 H THR 9 H THR 9 -7.262 -10.717 7.297 56 HA THR 9 HA THR 9 -9.888 -9.871 8.065 57 HB THR 9 HB THR 9 -10.239 -12.220 8.432 58 HG1 THR 9 1HG THR 9 -10.519 -12.075 10.766 59 HG21 THR 9 1HG2 THR 9 -7.749 -12.071 10.159 60 HG22 THR 9 2HG2 THR 9 -8.851 -13.470 10.056 61 HG23 THR 9 3HG2 THR 9 -7.932 -12.957 8.630 62 H GLU 10 H GLU 10 -9.800 -9.001 10.323 63 HA GLU 10 HA GLU 10 -9.017 -7.414 11.671 64 HB2 GLU 10 2HB GLU 10 -7.698 -9.824 12.153 65 HB3 GLU 10 3HB GLU 10 -6.377 -8.668 12.139 66 HG2 GLU 10 2HG GLU 10 -7.157 -8.767 14.387 67 HG3 GLU 10 3HG GLU 10 -7.778 -7.240 13.753 68 H GLU 11 H GLU 11 -6.222 -6.580 12.210 69 HA GLU 11 HA GLU 11 -6.059 -4.640 10.019 70 HB2 GLU 11 2HB GLU 11 -5.468 -4.458 12.738 71 HB3 GLU 11 3HB GLU 11 -3.871 -4.718 12.006 72 HG2 GLU 11 2HG GLU 11 -4.256 -2.344 12.137 73 HG3 GLU 11 3HG GLU 11 -4.307 -2.836 10.439 74 H ASP 12 H ASP 12 -4.057 -4.283 8.954 75 HA ASP 12 HA ASP 12 -2.581 -4.872 7.466 76 HB2 ASP 12 2HB ASP 12 -1.255 -5.886 9.397 77 HB3 ASP 12 3HB ASP 12 -1.779 -7.451 8.757 78 H THR 13 H THR 13 -2.513 -6.009 5.600 79 HA THR 13 HA THR 13 -4.635 -7.948 4.934 80 HB THR 13 HB THR 13 -5.793 -5.771 4.945 81 HG1 THR 13 1HG THR 13 -5.314 -6.876 2.388 82 HG21 THR 13 1HG2 THR 13 -3.494 -4.630 4.092 83 HG22 THR 13 2HG2 THR 13 -4.314 -4.790 2.538 84 HG23 THR 13 3HG2 THR 13 -5.097 -3.895 3.850 85 H GLU 14 H GLU 14 -2.052 -8.502 5.015 86 HA GLU 14 HA GLU 14 -0.498 -7.258 3.080 87 HB2 GLU 14 2HB GLU 14 0.177 -8.564 5.247 88 HB3 GLU 14 3HB GLU 14 0.139 -10.030 4.257 89 HG2 GLU 14 2HG GLU 14 1.676 -8.703 2.608 90 HG3 GLU 14 3HG GLU 14 1.739 -7.519 3.923 91 H GLU 15 H GLU 15 -1.486 -7.482 0.929 92 HA GLU 15 HA GLU 15 -1.633 -10.143 -0.241 93 HB2 GLU 15 2HB GLU 15 -3.784 -8.920 1.185 94 HB3 GLU 15 3HB GLU 15 -4.180 -8.719 -0.508 95 HG2 GLU 15 2HG GLU 15 -3.736 -11.206 -0.804 96 HG3 GLU 15 3HG GLU 15 -3.541 -11.314 0.955 97 H LYS 16 H LYS 16 -3.286 -9.460 -2.328 98 HA LYS 16 HA LYS 16 -1.640 -8.378 -4.232 99 HB2 LYS 16 2HB LYS 16 -3.667 -7.982 -5.616 100 HB3 LYS 16 3HB LYS 16 -3.553 -9.605 -4.898 101 HG2 LYS 16 2HG LYS 16 -5.141 -9.093 -3.211 102 HG3 LYS 16 3HG LYS 16 -5.114 -7.366 -3.609 103 HD2 LYS 16 2HD LYS 16 -6.061 -7.833 -5.832 104 HD3 LYS 16 3HD LYS 16 -6.141 -9.572 -5.444 105 HE2 LYS 16 2HE LYS 16 -7.719 -9.198 -3.670 106 HE3 LYS 16 3HE LYS 16 -7.425 -7.453 -3.681 107 HZ1 LYS 16 3HZ LYS 16 -8.435 -7.324 -5.842 108 HZ2 LYS 16 1HZ LYS 16 -8.712 -8.950 -5.871 109 HZ3 LYS 16 2HZ LYS 16 -9.486 -7.998 -4.771 110 H CYS 17 H CYS 17 -1.237 -6.317 -5.212 111 HA CYS 17 HA CYS 17 -1.529 -4.107 -3.444 112 HB2 CYS 17 2HB CYS 17 0.468 -4.415 -4.765 113 HB3 CYS 17 3HB CYS 17 -0.484 -4.365 -6.246 114 H THR 18 H THR 18 -2.730 -2.301 -3.859 115 HA THR 18 HA THR 18 -5.116 -2.726 -5.619 116 HB THR 18 HB THR 18 -5.244 -3.048 -3.014 117 HG1 THR 18 1HG THR 18 -7.207 -1.804 -4.638 118 HG21 THR 18 1HG2 THR 18 -6.068 -0.157 -3.437 119 HG22 THR 18 2HG2 THR 18 -6.262 -1.113 -1.950 120 HG23 THR 18 3HG2 THR 18 -4.635 -0.687 -2.528 121 H ILE 19 H ILE 19 -2.625 -0.471 -4.590 122 HA ILE 19 HA ILE 19 -3.910 1.821 -5.757 123 HB ILE 19 HB ILE 19 -1.069 1.050 -4.917 124 HG12 ILE 19 2HG1 ILE 19 -1.758 3.196 -3.431 125 HG13 ILE 19 3HG1 ILE 19 -3.369 2.574 -3.681 126 HG21 ILE 19 1HG2 ILE 19 -1.989 3.724 -6.006 127 HG22 ILE 19 2HG2 ILE 19 -0.416 3.391 -5.232 128 HG23 ILE 19 3HG2 ILE 19 -0.820 2.607 -6.756 129 HD11 ILE 19 3HD1 ILE 19 -2.768 0.516 -2.549 130 HD12 ILE 19 1HD1 ILE 19 -1.032 0.924 -2.616 131 HD13 ILE 19 2HD1 ILE 19 -2.127 1.858 -1.587 132 H CYS 20 H CYS 20 -1.865 -0.861 -6.845 133 HA CYS 20 HA CYS 20 -1.942 0.231 -9.663 134 HB2 CYS 20 2HB CYS 20 -0.395 -1.703 -10.050 135 HB3 CYS 20 3HB CYS 20 0.241 -0.345 -9.108 136 H LEU 21 H LEU 21 -4.135 -1.065 -7.880 137 HA LEU 21 HA LEU 21 -5.715 -2.804 -8.047 138 HB2 LEU 21 2HB LEU 21 -5.630 -1.153 -10.458 139 HB3 LEU 21 3HB LEU 21 -6.617 -2.604 -10.508 140 HG LEU 21 HG LEU 21 -7.250 -1.555 -7.999 141 HD11 LEU 21 1HD1 LEU 21 -7.160 0.691 -10.045 142 HD12 LEU 21 2HD1 LEU 21 -7.918 0.749 -8.433 143 HD13 LEU 21 3HD1 LEU 21 -6.160 0.549 -8.576 144 HD21 LEU 21 3HD2 LEU 21 -8.698 -2.712 -9.551 145 HD22 LEU 21 1HD2 LEU 21 -9.430 -1.176 -9.046 146 HD23 LEU 21 2HD2 LEU 21 -8.688 -1.316 -10.660 147 H SER 22 H SER 22 -3.234 -4.126 -8.127 148 HA SER 22 HA SER 22 -4.018 -6.518 -9.628 149 HB2 SER 22 2HB SER 22 -1.737 -4.743 -10.530 150 HB3 SER 22 3HB SER 22 -1.628 -6.500 -10.744 151 HG SER 22 HG SER 22 -3.834 -4.954 -11.612 152 H ILE 23 H ILE 23 -2.574 -8.372 -9.232 153 HA ILE 23 HA ILE 23 -1.713 -8.667 -6.599 154 HB ILE 23 HB ILE 23 -0.593 -10.686 -7.428 155 HG12 ILE 23 2HG1 ILE 23 -1.510 -11.345 -9.799 156 HG13 ILE 23 3HG1 ILE 23 -1.399 -9.632 -10.168 157 HG21 ILE 23 1HG2 ILE 23 -2.699 -11.809 -8.006 158 HG22 ILE 23 2HG2 ILE 23 -2.836 -10.736 -6.622 159 HG23 ILE 23 3HG2 ILE 23 -3.487 -10.225 -8.201 160 HD11 ILE 23 3HD1 ILE 23 0.843 -11.346 -9.056 161 HD12 ILE 23 1HD1 ILE 23 0.646 -10.889 -10.767 162 HD13 ILE 23 2HD1 ILE 23 0.966 -9.638 -9.549 163 H LEU 24 H LEU 24 0.369 -8.840 -5.656 164 HA LEU 24 HA LEU 24 2.254 -6.878 -6.564 165 HB2 LEU 24 2HB LEU 24 2.016 -8.913 -4.316 166 HB3 LEU 24 3HB LEU 24 3.587 -8.245 -4.684 167 HG LEU 24 HG LEU 24 1.141 -6.600 -4.011 168 HD11 LEU 24 1HD1 LEU 24 2.552 -6.150 -1.872 169 HD12 LEU 24 2HD1 LEU 24 1.730 -7.709 -2.000 170 HD13 LEU 24 3HD1 LEU 24 3.471 -7.598 -2.336 171 HD21 LEU 24 3HD2 LEU 24 2.809 -4.763 -3.691 172 HD22 LEU 24 1HD2 LEU 24 4.063 -5.828 -4.367 173 HD23 LEU 24 2HD2 LEU 24 2.682 -5.302 -5.359 174 H GLU 25 H GLU 25 4.502 -7.450 -6.800 175 HA GLU 25 HA GLU 25 4.883 -9.850 -8.502 176 HB2 GLU 25 2HB GLU 25 6.454 -8.278 -9.819 177 HB3 GLU 25 3HB GLU 25 4.704 -8.204 -10.100 178 HG2 GLU 25 2HG GLU 25 4.479 -6.291 -8.613 179 HG3 GLU 25 3HG GLU 25 6.203 -6.340 -8.227 180 H GLU 26 H GLU 26 6.017 -11.098 -7.114 181 HA GLU 26 HA GLU 26 7.731 -10.063 -5.107 182 HB2 GLU 26 2HB GLU 26 6.598 -12.583 -5.878 183 HB3 GLU 26 3HB GLU 26 8.340 -12.833 -5.736 184 HG2 GLU 26 2HG GLU 26 8.364 -12.060 -3.468 185 HG3 GLU 26 3HG GLU 26 6.744 -11.361 -3.608 186 H GLY 27 H GLY 27 9.376 -8.787 -5.802 187 HA2 GLY 27 2HA GLY 27 11.605 -9.915 -7.290 188 HA3 GLY 27 3HA GLY 27 10.569 -8.887 -8.292 189 H GLU 28 H GLU 28 9.865 -6.787 -6.493 190 HA GLU 28 HA GLU 28 12.514 -5.602 -5.928 191 HB2 GLU 28 2HB GLU 28 10.597 -4.487 -7.386 192 HB3 GLU 28 3HB GLU 28 9.875 -4.111 -5.833 193 HG2 GLU 28 2HG GLU 28 12.694 -3.419 -5.762 194 HG3 GLU 28 3HG GLU 28 12.034 -2.815 -7.270 195 H ASP 29 H ASP 29 11.701 -3.821 -4.029 196 HA ASP 29 HA ASP 29 11.131 -5.584 -1.701 197 HB2 ASP 29 2HB ASP 29 12.777 -3.138 -2.099 198 HB3 ASP 29 3HB ASP 29 11.730 -3.085 -0.678 199 H VAL 30 H VAL 30 9.403 -5.051 -0.313 200 HA VAL 30 HA VAL 30 7.429 -3.151 -1.446 201 HB VAL 30 HB VAL 30 5.804 -4.514 -0.133 202 HG11 VAL 30 1HG1 VAL 30 5.803 -6.419 -1.765 203 HG12 VAL 30 2HG1 VAL 30 5.865 -4.791 -2.444 204 HG13 VAL 30 3HG1 VAL 30 7.350 -5.774 -2.389 205 HG21 VAL 30 3HG2 VAL 30 7.998 -6.590 -0.073 206 HG22 VAL 30 1HG2 VAL 30 7.566 -5.578 1.333 207 HG23 VAL 30 2HG2 VAL 30 6.371 -6.696 0.633 208 H ARG 31 H ARG 31 5.851 -2.502 0.516 209 HA ARG 31 HA ARG 31 7.382 -1.976 2.891 210 HB2 ARG 31 2HB ARG 31 7.897 -0.166 0.941 211 HB3 ARG 31 3HB ARG 31 6.474 0.566 1.661 212 HG2 ARG 31 2HG ARG 31 8.411 1.491 2.729 213 HG3 ARG 31 3HG ARG 31 7.707 0.370 3.916 214 HD2 ARG 31 2HD ARG 31 9.352 -1.352 3.312 215 HD3 ARG 31 3HD ARG 31 9.872 -0.430 1.915 216 HE ARG 31 HE ARG 31 11.218 0.866 3.204 217 HH11 ARG 31 2HH2 ARG 31 9.121 -0.990 5.333 218 HH12 ARG 31 1HH2 ARG 31 9.865 -0.483 6.809 219 HH21 ARG 31 2HH1 ARG 31 12.262 1.567 5.155 220 HH22 ARG 31 1HH1 ARG 31 11.724 0.996 6.690 221 H ARG 32 H ARG 32 6.132 -1.651 4.659 222 HA ARG 32 HA ARG 32 3.269 -1.904 4.215 223 HB2 ARG 32 2HB ARG 32 4.864 -3.206 5.875 224 HB3 ARG 32 3HB ARG 32 4.634 -1.797 6.920 225 HG2 ARG 32 2HG ARG 32 2.275 -2.181 7.028 226 HG3 ARG 32 3HG ARG 32 2.317 -3.353 5.699 227 HD2 ARG 32 2HD ARG 32 3.679 -3.768 8.349 228 HD3 ARG 32 3HD ARG 32 2.081 -4.414 7.936 229 HE ARG 32 HE ARG 32 3.584 -5.422 5.935 230 HH11 ARG 32 2HH2 ARG 32 3.404 -5.628 9.412 231 HH12 ARG 32 1HH2 ARG 32 4.162 -7.179 9.546 232 HH21 ARG 32 2HH1 ARG 32 4.424 -7.600 6.042 233 HH22 ARG 32 1HH1 ARG 32 4.705 -8.339 7.547 234 H LEU 33 H LEU 33 1.718 -0.263 4.742 235 HA LEU 33 HA LEU 33 2.871 2.417 4.844 236 HB2 LEU 33 2HB LEU 33 -0.016 2.040 5.541 237 HB3 LEU 33 3HB LEU 33 0.810 3.325 4.696 238 HG LEU 33 HG LEU 33 1.154 1.439 2.897 239 HD11 LEU 33 1HD1 LEU 33 -0.137 -0.382 3.189 240 HD12 LEU 33 2HD1 LEU 33 -0.845 0.305 4.656 241 HD13 LEU 33 3HD1 LEU 33 -1.587 0.645 3.095 242 HD21 LEU 33 3HD2 LEU 33 0.207 3.650 2.511 243 HD22 LEU 33 1HD2 LEU 33 -0.773 2.423 1.695 244 HD23 LEU 33 2HD2 LEU 33 -1.339 3.137 3.227 245 HA PRO 34 HA PRO 34 3.270 2.495 9.164 246 HB2 PRO 34 2HB PRO 34 2.207 5.129 9.738 247 HB3 PRO 34 3HB PRO 34 3.898 4.605 9.602 248 HG2 PRO 34 2HG PRO 34 2.429 6.209 7.712 249 HG3 PRO 34 3HG PRO 34 4.092 5.590 7.563 250 HD2 PRO 34 2HD PRO 34 1.657 4.643 6.255 251 HD3 PRO 34 3HD PRO 34 3.360 4.210 5.920 252 H CYS 35 H CYS 35 0.035 2.758 7.874 253 HA CYS 35 HA CYS 35 -1.372 2.869 10.427 254 HB2 CYS 35 2HB CYS 35 -3.287 2.262 9.232 255 HB3 CYS 35 3HB CYS 35 -2.448 3.488 8.298 256 H MET 36 H MET 36 -0.295 0.214 8.295 257 HA MET 36 HA MET 36 0.437 -1.758 9.844 258 HB2 MET 36 2HB MET 36 -2.486 -1.426 10.348 259 HB3 MET 36 3HB MET 36 -1.981 -3.038 9.903 260 HG2 MET 36 2HG MET 36 -0.495 -1.488 12.036 261 HG3 MET 36 3HG MET 36 -1.903 -2.486 12.407 262 HE1 MET 36 3HE MET 36 0.006 -3.295 14.155 263 HE2 MET 36 1HE MET 36 1.333 -4.397 13.714 264 HE3 MET 36 2HE MET 36 1.449 -2.665 13.323 265 H HIS 37 H HIS 37 -2.070 -1.169 7.310 266 HA HIS 37 HA HIS 37 -1.821 -3.713 6.097 267 HB2 HIS 37 1HB HIS 37 -2.666 -1.041 4.964 268 HB3 HIS 37 2HB HIS 37 -3.073 -2.561 4.273 269 HD2 HIS 37 2HD HIS 37 -4.446 -4.313 6.134 270 HE1 HIS 37 1HE HIS 37 -6.544 -1.201 8.067 271 HE2 HIS 37 2HE HIS 37 -6.425 -3.701 7.745 272 H LEU 38 H LEU 38 -0.865 -4.309 3.970 273 HA LEU 38 HA LEU 38 1.754 -2.931 3.645 274 HB2 LEU 38 2HB LEU 38 1.879 -5.164 4.441 275 HB3 LEU 38 3HB LEU 38 0.854 -5.714 3.123 276 HG LEU 38 HG LEU 38 3.234 -6.419 3.027 277 HD11 LEU 38 1HD1 LEU 38 2.809 -4.948 0.490 278 HD12 LEU 38 2HD1 LEU 38 3.303 -6.598 0.808 279 HD13 LEU 38 3HD1 LEU 38 1.604 -6.156 0.997 280 HD21 LEU 38 3HD2 LEU 38 4.517 -4.697 3.786 281 HD22 LEU 38 1HD2 LEU 38 4.869 -4.796 2.054 282 HD23 LEU 38 2HD2 LEU 38 3.805 -3.526 2.676 283 H PHE 39 H PHE 39 2.653 -2.676 1.527 284 HA PHE 39 HA PHE 39 1.137 -3.384 -0.812 285 HB2 PHE 39 2HB PHE 39 1.454 -0.468 -0.004 286 HB3 PHE 39 3HB PHE 39 1.340 -0.897 -1.699 287 HD1 PHE 39 1HD PHE 39 -0.501 -2.719 -2.247 288 HD2 PHE 39 2HD PHE 39 -0.611 0.005 1.046 289 HE1 PHE 39 1HE PHE 39 -2.972 -3.134 -1.989 290 HE2 PHE 39 2HE PHE 39 -3.042 -0.393 1.310 291 HZ PHE 39 HZ PHE 39 -4.240 -1.879 -0.346 292 H HIS 40 H HIS 40 2.336 -2.272 -2.771 293 HA HIS 40 HA HIS 40 5.119 -3.017 -2.984 294 HB2 HIS 40 1HB HIS 40 3.118 -1.406 -4.450 295 HB3 HIS 40 2HB HIS 40 4.805 -0.980 -4.755 296 HD2 HIS 40 2HD HIS 40 6.224 -3.573 -5.443 297 HE1 HIS 40 1HE HIS 40 3.274 -3.707 -8.489 298 HE2 HIS 40 2HE HIS 40 5.570 -4.407 -7.855 299 H GLN 41 H GLN 41 6.923 -1.809 -2.527 300 HA GLN 41 HA GLN 41 6.811 0.432 -0.777 301 HB2 GLN 41 2HB GLN 41 8.773 -1.087 -0.952 302 HB3 GLN 41 3HB GLN 41 8.986 -0.675 -2.637 303 HG2 GLN 41 2HG GLN 41 9.142 1.538 -0.595 304 HG3 GLN 41 3HG GLN 41 10.474 0.385 -0.693 305 HE21 GLN 41 1HE2 GLN 41 11.043 -0.129 -3.360 306 HE22 GLN 41 2HE2 GLN 41 11.298 1.389 -4.141 307 H VAL 42 H VAL 42 7.751 0.283 -4.187 308 HA VAL 42 HA VAL 42 7.806 3.075 -4.507 309 HB VAL 42 HB VAL 42 8.382 0.939 -6.057 310 HG11 VAL 42 1HG1 VAL 42 7.148 0.911 -8.122 311 HG12 VAL 42 2HG1 VAL 42 6.048 0.549 -6.784 312 HG13 VAL 42 3HG1 VAL 42 6.036 2.164 -7.544 313 HG21 VAL 42 3HG2 VAL 42 8.990 2.555 -7.832 314 HG22 VAL 42 1HG2 VAL 42 7.968 3.786 -7.051 315 HG23 VAL 42 2HG2 VAL 42 9.409 3.157 -6.219 316 H CYS 43 H CYS 43 5.061 1.037 -4.215 317 HA CYS 43 HA CYS 43 3.138 2.976 -5.554 318 HB2 CYS 43 2HB CYS 43 2.784 0.510 -3.889 319 HB3 CYS 43 3HB CYS 43 1.497 1.540 -4.438 320 H VAL 44 H VAL 44 4.282 2.031 -2.201 321 HA VAL 44 HA VAL 44 2.169 3.393 -0.913 322 HB VAL 44 HB VAL 44 4.225 1.725 -0.200 323 HG11 VAL 44 1HG1 VAL 44 5.659 2.793 1.425 324 HG12 VAL 44 2HG1 VAL 44 5.909 3.514 -0.172 325 HG13 VAL 44 3HG1 VAL 44 4.969 4.385 1.066 326 HG21 VAL 44 3HG2 VAL 44 3.401 2.007 2.084 327 HG22 VAL 44 1HG2 VAL 44 2.612 3.538 1.614 328 HG23 VAL 44 2HG2 VAL 44 2.084 1.994 0.891 329 H ASP 45 H ASP 45 5.074 4.340 -2.470 330 HA ASP 45 HA ASP 45 5.262 7.016 -1.286 331 HB2 ASP 45 2HB ASP 45 7.263 5.937 -2.218 332 HB3 ASP 45 3HB ASP 45 6.518 5.873 -3.822 333 H GLN 46 H GLN 46 4.525 6.093 -4.730 334 HA GLN 46 HA GLN 46 3.403 8.627 -5.317 335 HB2 GLN 46 2HB GLN 46 2.781 5.914 -6.571 336 HB3 GLN 46 3HB GLN 46 2.249 7.474 -7.207 337 HG2 GLN 46 2HG GLN 46 4.968 7.913 -6.866 338 HG3 GLN 46 3HG GLN 46 4.929 6.208 -7.323 339 HE21 GLN 46 1HE2 GLN 46 4.936 9.405 -8.537 340 HE22 GLN 46 2HE2 GLN 46 4.341 9.023 -10.148 341 H TRP 47 H TRP 47 1.987 5.959 -3.572 342 HA TRP 47 HA TRP 47 -0.731 6.836 -3.782 343 HB2 TRP 47 2HB TRP 47 -0.067 4.548 -3.082 344 HB3 TRP 47 3HB TRP 47 0.590 5.201 -1.578 345 HD1 TRP 47 HD1 TRP 47 -1.096 4.873 0.322 346 HE1 TRP 47 HE1 TRP 47 -3.669 4.855 0.559 347 HE3 TRP 47 HE3 TRP 47 -2.434 5.952 -4.523 348 HZ2 TRP 47 HZ2 TRP 47 -5.905 4.894 -1.149 349 HZ3 TRP 47 HZ3 TRP 47 -4.784 6.114 -5.146 350 HH2 TRP 47 HH2 TRP 47 -6.581 5.516 -3.498 351 H LEU 48 H LEU 48 1.707 7.165 -1.135 352 HA LEU 48 HA LEU 48 0.344 8.969 0.442 353 HB2 LEU 48 2HB LEU 48 3.193 8.229 -0.113 354 HB3 LEU 48 3HB LEU 48 2.973 9.766 0.632 355 HG LEU 48 HG LEU 48 1.921 7.105 1.706 356 HD11 LEU 48 1HD1 LEU 48 3.592 7.483 3.480 357 HD12 LEU 48 2HD1 LEU 48 4.370 7.456 1.887 358 HD13 LEU 48 3HD1 LEU 48 4.088 9.007 2.704 359 HD21 LEU 48 3HD2 LEU 48 1.621 9.953 2.705 360 HD22 LEU 48 1HD2 LEU 48 0.346 8.723 2.499 361 HD23 LEU 48 2HD2 LEU 48 1.510 8.556 3.807 362 H ILE 49 H ILE 49 2.142 9.683 -2.593 363 HA ILE 49 HA ILE 49 1.881 12.502 -2.425 364 HB ILE 49 HB ILE 49 2.139 10.627 -4.778 365 HG12 ILE 49 2HG1 ILE 49 4.007 10.533 -3.135 366 HG13 ILE 49 3HG1 ILE 49 4.431 11.023 -4.761 367 HG21 ILE 49 1HG2 ILE 49 1.261 12.637 -5.675 368 HG22 ILE 49 2HG2 ILE 49 2.327 13.634 -4.670 369 HG23 ILE 49 3HG2 ILE 49 3.003 12.641 -5.990 370 HD11 ILE 49 3HD1 ILE 49 3.989 12.908 -2.437 371 HD12 ILE 49 1HD1 ILE 49 5.567 12.365 -3.048 372 HD13 ILE 49 2HD1 ILE 49 4.517 13.359 -4.081 373 H THR 50 H THR 50 -0.372 9.973 -3.678 374 HA THR 50 HA THR 50 -2.227 12.069 -4.613 375 HB THR 50 HB THR 50 -3.597 10.031 -5.288 376 HG1 THR 50 1HG THR 50 -1.159 8.650 -4.942 377 HG21 THR 50 1HG2 THR 50 -2.176 9.541 -7.244 378 HG22 THR 50 2HG2 THR 50 -2.210 11.281 -6.897 379 HG23 THR 50 3HG2 THR 50 -0.787 10.315 -6.448 380 H ASN 51 H ASN 51 -2.752 9.104 -2.599 381 HA ASN 51 HA ASN 51 -4.676 10.697 -0.966 382 HB2 ASN 51 2HB ASN 51 -4.453 7.805 -1.745 383 HB3 ASN 51 3HB ASN 51 -5.209 8.212 -0.213 384 HD21 ASN 51 1HD2 ASN 51 -5.591 8.240 -3.659 385 HD22 ASN 51 2HD2 ASN 51 -7.193 8.965 -3.685 386 H LYS 52 H LYS 52 -3.630 11.547 0.727 387 HA LYS 52 HA LYS 52 -1.605 10.165 2.266 388 HB2 LYS 52 2HB LYS 52 -3.027 12.760 2.276 389 HB3 LYS 52 3HB LYS 52 -2.709 12.194 3.898 390 HG2 LYS 52 2HG LYS 52 -0.515 12.182 1.797 391 HG3 LYS 52 3HG LYS 52 -0.929 13.640 2.693 392 HD2 LYS 52 2HD LYS 52 -0.577 12.368 4.848 393 HD3 LYS 52 3HD LYS 52 0.011 11.003 3.906 394 HE2 LYS 52 2HE LYS 52 1.842 12.352 2.981 395 HE3 LYS 52 3HE LYS 52 1.164 13.827 3.672 396 HZ1 LYS 52 3HZ LYS 52 1.578 12.849 5.889 397 HZ2 LYS 52 1HZ LYS 52 2.369 11.596 5.181 398 HZ3 LYS 52 2HZ LYS 52 2.944 13.136 5.059 399 H LYS 53 H LYS 53 -4.261 8.619 1.917 400 HA LYS 53 HA LYS 53 -4.715 8.091 4.779 401 HB2 LYS 53 2HB LYS 53 -6.965 8.267 2.708 402 HB3 LYS 53 3HB LYS 53 -7.090 7.724 4.364 403 HG2 LYS 53 2HG LYS 53 -7.680 9.845 4.857 404 HG3 LYS 53 3HG LYS 53 -5.941 10.140 4.813 405 HD2 LYS 53 2HD LYS 53 -6.978 11.856 3.539 406 HD3 LYS 53 3HD LYS 53 -6.190 10.775 2.369 407 HE2 LYS 53 2HE LYS 53 -8.380 9.612 2.020 408 HE3 LYS 53 3HE LYS 53 -9.130 10.713 3.189 409 HZ1 LYS 53 3HZ LYS 53 -9.528 11.464 0.965 410 HZ2 LYS 53 1HZ LYS 53 -8.524 12.539 1.703 411 HZ3 LYS 53 2HZ LYS 53 -7.928 11.460 0.595 412 H CYS 54 H CYS 54 -5.703 5.966 5.031 413 HA CYS 54 HA CYS 54 -4.040 3.991 3.572 414 HB2 CYS 54 2HB CYS 54 -4.694 3.875 5.957 415 HB3 CYS 54 3HB CYS 54 -6.385 3.706 5.434 416 HA PRO 55 HA PRO 55 -7.190 3.590 0.394 417 HB2 PRO 55 2HB PRO 55 -6.198 1.080 -0.570 418 HB3 PRO 55 3HB PRO 55 -5.970 2.664 -1.302 419 HG2 PRO 55 2HG PRO 55 -4.056 1.017 -0.023 420 HG3 PRO 55 3HG PRO 55 -3.825 2.675 -0.563 421 HD2 PRO 55 2HD PRO 55 -4.271 1.651 2.176 422 HD3 PRO 55 3HD PRO 55 -3.573 3.206 1.664 423 H ILE 56 H ILE 56 -6.385 0.925 2.688 424 HA ILE 56 HA ILE 56 -8.944 -0.407 2.140 425 HB ILE 56 HB ILE 56 -6.785 -1.009 4.206 426 HG12 ILE 56 2HG1 ILE 56 -6.772 -3.143 2.597 427 HG13 ILE 56 3HG1 ILE 56 -7.357 -1.998 1.400 428 HG21 ILE 56 1HG2 ILE 56 -8.010 -3.152 4.473 429 HG22 ILE 56 2HG2 ILE 56 -8.982 -1.775 4.984 430 HG23 ILE 56 3HG2 ILE 56 -9.293 -2.533 3.406 431 HD11 ILE 56 3HD1 ILE 56 -4.906 -1.379 3.106 432 HD12 ILE 56 1HD1 ILE 56 -4.802 -2.396 1.674 433 HD13 ILE 56 2HD1 ILE 56 -5.361 -0.709 1.520 434 H CYS 57 H CYS 57 -7.372 0.746 5.179 435 HA CYS 57 HA CYS 57 -9.921 0.833 6.531 436 HB2 CYS 57 2HB CYS 57 -8.589 1.798 8.360 437 HB3 CYS 57 3HB CYS 57 -8.068 0.238 7.797 438 H ARG 58 H ARG 58 -8.391 3.147 4.419 439 HA ARG 58 HA ARG 58 -9.163 5.124 3.639 440 HB2 ARG 58 2HB ARG 58 -11.283 3.460 3.838 441 HB3 ARG 58 3HB ARG 58 -11.862 4.753 4.879 442 HG2 ARG 58 2HG ARG 58 -10.946 4.980 1.972 443 HG3 ARG 58 3HG ARG 58 -12.612 4.992 2.557 444 HD2 ARG 58 2HD ARG 58 -11.987 7.096 3.896 445 HD3 ARG 58 3HD ARG 58 -10.485 7.120 2.975 446 HE ARG 58 HE ARG 58 -11.643 7.675 1.034 447 HH11 ARG 58 2HH2 ARG 58 -13.905 7.035 3.669 448 HH12 ARG 58 1HH2 ARG 58 -15.271 7.773 2.914 449 HH21 ARG 58 2HH1 ARG 58 -13.469 8.684 -0.022 450 HH22 ARG 58 1HH1 ARG 58 -15.005 8.729 0.762 451 H VAL 59 H VAL 59 -7.822 5.149 6.270 452 HA VAL 59 HA VAL 59 -8.922 7.770 7.132 453 HB VAL 59 HB VAL 59 -8.548 7.334 9.327 454 HG11 VAL 59 1HG1 VAL 59 -10.463 6.029 8.296 455 HG12 VAL 59 2HG1 VAL 59 -9.388 4.605 8.375 456 HG13 VAL 59 3HG1 VAL 59 -9.902 5.412 9.872 457 HG21 VAL 59 3HG2 VAL 59 -7.456 5.272 10.265 458 HG22 VAL 59 1HG2 VAL 59 -6.909 4.891 8.614 459 HG23 VAL 59 2HG2 VAL 59 -6.383 6.396 9.422 460 H ASP 60 H ASP 60 -7.318 9.266 7.942 461 HA ASP 60 HA ASP 60 -4.890 9.110 6.481 462 HB2 ASP 60 2HB ASP 60 -5.473 10.897 8.895 463 HB3 ASP 60 3HB ASP 60 -4.386 11.192 7.566 464 H ILE 61 H ILE 61 -3.177 7.931 7.074 465 HA ILE 61 HA ILE 61 -3.031 6.273 9.122 466 HB ILE 61 HB ILE 61 -0.651 7.662 7.875 467 HG12 ILE 61 2HG1 ILE 61 -1.094 5.199 6.614 468 HG13 ILE 61 3HG1 ILE 61 -2.725 5.796 6.822 469 HG21 ILE 61 1HG2 ILE 61 0.341 5.363 8.315 470 HG22 ILE 61 2HG2 ILE 61 0.055 6.370 9.748 471 HG23 ILE 61 3HG2 ILE 61 -1.072 5.064 9.358 472 HD11 ILE 61 3HD1 ILE 61 -1.916 6.598 4.702 473 HD12 ILE 61 1HD1 ILE 61 -1.884 8.004 5.792 474 HD13 ILE 61 2HD1 ILE 61 -0.383 7.146 5.424 475 H GLU 62 H GLU 62 -2.157 9.664 9.281 476 HA GLU 62 HA GLU 62 -2.758 10.152 11.783 477 HB2 GLU 62 2HB GLU 62 -0.205 8.728 11.981 478 HB3 GLU 62 3HB GLU 62 -0.020 10.392 12.519 479 HG2 GLU 62 2HG GLU 62 -2.055 10.166 13.944 480 HG3 GLU 62 3HG GLU 62 -2.150 8.460 13.514 481 H ALA 63 H ALA 63 -3.199 12.212 11.327 482 HA ALA 63 HA ALA 63 -3.088 14.309 10.501 483 HB1 ALA 63 1HB ALA 63 -1.157 15.605 11.253 484 HB2 ALA 63 2HB ALA 63 -1.572 14.402 12.476 485 HB3 ALA 63 3HB ALA 63 -0.187 14.118 11.409 486 H GLN 64 H GLN 64 -0.760 15.698 9.297 487 HA GLN 64 HA GLN 64 -0.126 14.116 6.939 488 HB2 GLN 64 2HB GLN 64 -2.431 15.156 6.579 489 HB3 GLN 64 3HB GLN 64 -1.654 16.736 6.546 490 HG2 GLN 64 2HG GLN 64 -0.497 14.569 4.819 491 HG3 GLN 64 3HG GLN 64 -2.100 15.133 4.366 492 HE21 GLN 64 1HE2 GLN 64 -2.174 17.769 4.432 493 HE22 GLN 64 2HE2 GLN 64 -0.846 18.453 3.504 494 H LEU 65 H LEU 65 1.726 14.631 8.600 495 HA LEU 65 HA LEU 65 2.957 17.253 7.992 496 HB2 LEU 65 2HB LEU 65 4.582 16.752 9.692 497 HB3 LEU 65 3HB LEU 65 2.971 16.640 10.349 498 HG LEU 65 HG LEU 65 4.307 14.084 9.429 499 HD11 LEU 65 1HD1 LEU 65 5.463 13.920 11.620 500 HD12 LEU 65 2HD1 LEU 65 6.096 15.248 10.639 501 HD13 LEU 65 3HD1 LEU 65 4.991 15.595 11.990 502 HD21 LEU 65 3HD2 LEU 65 2.576 14.829 11.841 503 HD22 LEU 65 1HD2 LEU 65 2.010 13.970 10.394 504 HD23 LEU 65 2HD2 LEU 65 3.176 13.205 11.468 505 HA PRO 66 HA PRO 66 5.823 15.209 5.197 506 HB2 PRO 66 2HB PRO 66 7.864 16.999 5.099 507 HB3 PRO 66 3HB PRO 66 6.235 17.437 4.496 508 HG2 PRO 66 2HG PRO 66 7.423 18.031 7.231 509 HG3 PRO 66 3HG PRO 66 6.644 19.181 6.096 510 HD2 PRO 66 2HD PRO 66 5.287 18.000 8.147 511 HD3 PRO 66 3HD PRO 66 4.496 18.352 6.583 512 H SER 67 H SER 67 8.277 14.618 5.173 513 HA SER 67 HA SER 67 9.563 14.174 7.724 514 HB2 SER 67 2HB SER 67 7.923 12.408 7.869 515 HB3 SER 67 3HB SER 67 8.138 11.970 6.170 516 HG SER 67 HG SER 67 10.007 10.993 6.620 517 H GLU 68 H GLU 68 11.511 12.614 7.123 518 HA GLU 68 HA GLU 68 12.826 13.324 4.622 519 HB2 GLU 68 2HB GLU 68 14.245 11.320 5.158 520 HB3 GLU 68 3HB GLU 68 14.250 12.576 6.399 521 HG2 GLU 68 2HG GLU 68 12.763 11.295 7.825 522 HG3 GLU 68 3HG GLU 68 12.472 10.103 6.554 523 H SER 69 H SER 69 13.024 11.900 2.771 524 HA SER 69 HA SER 69 11.389 9.563 2.429 525 HB2 SER 69 2HB SER 69 10.867 12.131 0.852 526 HB3 SER 69 3HB SER 69 10.263 10.525 0.405 527 HG SER 69 HG SER 69 9.737 11.293 3.004 Start of MODEL 24 1 H1 MET 1 H1 MET 1 6.849 -23.803 -3.871 2 H2 MET 1 H2 MET 1 7.482 -23.815 -5.392 3 H3 MET 1 H3 MET 1 6.588 -25.095 -4.858 4 HA MET 1 HA MET 1 8.893 -25.650 -4.873 5 HB2 MET 1 2HB MET 1 9.077 -23.143 -3.213 6 HB3 MET 1 3HB MET 1 10.276 -24.440 -3.024 7 HG2 MET 1 2HG MET 1 11.224 -24.077 -5.024 8 HG3 MET 1 3HG MET 1 9.693 -23.874 -5.855 9 HE1 MET 1 3HE MET 1 9.141 -20.187 -6.220 10 HE2 MET 1 1HE MET 1 8.793 -21.839 -6.760 11 HE3 MET 1 2HE MET 1 8.226 -21.281 -5.162 12 H LYS 2 H LYS 2 7.976 -24.523 -1.589 13 HA LYS 2 HA LYS 2 7.203 -25.639 0.235 14 HB2 LYS 2 2HB LYS 2 7.470 -28.301 -1.248 15 HB3 LYS 2 3HB LYS 2 7.130 -28.081 0.439 16 HG2 LYS 2 2HG LYS 2 4.983 -28.160 -0.095 17 HG3 LYS 2 3HG LYS 2 5.180 -26.468 -0.531 18 HD2 LYS 2 2HD LYS 2 3.954 -27.630 -2.251 19 HD3 LYS 2 3HD LYS 2 5.526 -27.179 -2.923 20 HE2 LYS 2 2HE LYS 2 6.373 -29.442 -2.636 21 HE3 LYS 2 3HE LYS 2 4.955 -29.902 -1.676 22 HZ1 LYS 2 3HZ LYS 2 4.787 -30.714 -3.915 23 HZ2 LYS 2 1HZ LYS 2 3.598 -29.615 -3.639 24 HZ3 LYS 2 2HZ LYS 2 4.917 -29.200 -4.540 25 H GLN 3 H GLN 3 8.788 -25.159 1.611 26 HA GLN 3 HA GLN 3 11.097 -26.818 1.915 27 HB2 GLN 3 2HB GLN 3 11.465 -24.779 0.049 28 HB3 GLN 3 3HB GLN 3 11.940 -23.987 1.553 29 HG2 GLN 3 2HG GLN 3 13.488 -25.956 2.002 30 HG3 GLN 3 3HG GLN 3 12.999 -26.634 0.447 31 HE21 GLN 3 1HE2 GLN 3 14.703 -23.913 2.023 32 HE22 GLN 3 2HE2 GLN 3 15.576 -23.422 0.574 33 H ASP 4 H ASP 4 12.486 -25.252 3.587 34 HA ASP 4 HA ASP 4 10.907 -24.852 5.949 35 HB2 ASP 4 2HB ASP 4 12.937 -23.734 6.790 36 HB3 ASP 4 3HB ASP 4 13.302 -25.300 6.064 37 H GLY 5 H GLY 5 9.875 -23.021 6.699 38 HA2 GLY 5 2HA GLY 5 10.274 -20.369 6.122 39 HA3 GLY 5 3HA GLY 5 9.195 -20.960 4.834 40 H GLU 6 H GLU 6 8.357 -19.051 6.890 41 HA GLU 6 HA GLU 6 5.985 -20.384 7.710 42 HB2 GLU 6 2HB GLU 6 7.872 -20.713 9.609 43 HB3 GLU 6 3HB GLU 6 7.450 -19.035 9.985 44 HG2 GLU 6 2HG GLU 6 4.999 -19.822 10.042 45 HG3 GLU 6 3HG GLU 6 5.614 -21.471 9.928 46 H GLU 7 H GLU 7 4.415 -18.564 8.539 47 HA GLU 7 HA GLU 7 5.379 -15.852 8.381 48 HB2 GLU 7 2HB GLU 7 4.662 -16.862 5.906 49 HB3 GLU 7 3HB GLU 7 3.097 -16.324 6.505 50 HG2 GLU 7 2HG GLU 7 3.989 -14.462 5.348 51 HG3 GLU 7 3HG GLU 7 4.222 -14.078 7.054 52 H GLY 8 H GLY 8 3.396 -14.369 8.911 53 HA2 GLY 8 2HA GLY 8 1.096 -15.812 10.052 54 HA3 GLY 8 3HA GLY 8 2.105 -14.891 11.186 55 H THR 9 H THR 9 -0.745 -14.491 10.110 56 HA THR 9 HA THR 9 -0.476 -11.864 8.820 57 HB THR 9 HB THR 9 -1.902 -13.453 7.728 58 HG1 THR 9 1HG THR 9 -3.579 -12.032 7.461 59 HG21 THR 9 1HG2 THR 9 -3.788 -13.226 10.076 60 HG22 THR 9 2HG2 THR 9 -3.964 -14.232 8.623 61 HG23 THR 9 3HG2 THR 9 -2.713 -14.616 9.825 62 H GLU 10 H GLU 10 -0.127 -10.227 10.288 63 HA GLU 10 HA GLU 10 -2.180 -9.647 12.146 64 HB2 GLU 10 2HB GLU 10 0.011 -11.217 13.217 65 HB3 GLU 10 3HB GLU 10 0.169 -9.584 13.850 66 HG2 GLU 10 2HG GLU 10 -2.389 -11.242 13.981 67 HG3 GLU 10 3HG GLU 10 -1.200 -11.111 15.275 68 H GLU 11 H GLU 11 -2.042 -7.439 12.619 69 HA GLU 11 HA GLU 11 -1.757 -5.301 11.905 70 HB2 GLU 11 2HB GLU 11 -0.001 -5.883 13.718 71 HB3 GLU 11 3HB GLU 11 1.176 -5.676 12.406 72 HG2 GLU 11 2HG GLU 11 0.383 -3.345 12.066 73 HG3 GLU 11 3HG GLU 11 -0.916 -3.600 13.229 74 H ASP 12 H ASP 12 -1.065 -7.479 9.744 75 HA ASP 12 HA ASP 12 -0.420 -5.681 7.532 76 HB2 ASP 12 2HB ASP 12 1.809 -6.330 8.598 77 HB3 ASP 12 3HB ASP 12 1.410 -8.019 8.268 78 H THR 13 H THR 13 -2.193 -6.234 6.558 79 HA THR 13 HA THR 13 -2.865 -9.132 6.211 80 HB THR 13 HB THR 13 -4.627 -7.902 7.324 81 HG1 THR 13 1HG THR 13 -5.200 -8.629 4.652 82 HG21 THR 13 1HG2 THR 13 -4.200 -5.658 6.336 83 HG22 THR 13 2HG2 THR 13 -4.856 -6.237 4.795 84 HG23 THR 13 3HG2 THR 13 -5.904 -6.167 6.211 85 H GLU 14 H GLU 14 -0.685 -8.177 4.794 86 HA GLU 14 HA GLU 14 -1.073 -6.995 2.402 87 HB2 GLU 14 2HB GLU 14 0.735 -8.465 1.510 88 HB3 GLU 14 3HB GLU 14 1.123 -7.721 3.043 89 HG2 GLU 14 2HG GLU 14 1.279 -9.626 4.209 90 HG3 GLU 14 3HG GLU 14 0.002 -10.452 3.358 91 H GLU 15 H GLU 15 -2.640 -7.346 0.776 92 HA GLU 15 HA GLU 15 -2.889 -10.038 -0.245 93 HB2 GLU 15 2HB GLU 15 -4.571 -9.930 1.624 94 HB3 GLU 15 3HB GLU 15 -5.384 -8.611 0.772 95 HG2 GLU 15 2HG GLU 15 -5.620 -10.168 -1.229 96 HG3 GLU 15 3HG GLU 15 -4.904 -11.452 -0.258 97 H LYS 16 H LYS 16 -1.789 -8.937 -1.895 98 HA LYS 16 HA LYS 16 -1.652 -8.166 -4.008 99 HB2 LYS 16 2HB LYS 16 -3.259 -9.102 -5.113 100 HB3 LYS 16 3HB LYS 16 -4.299 -9.137 -3.754 101 HG2 LYS 16 2HG LYS 16 -4.118 -6.698 -5.569 102 HG3 LYS 16 3HG LYS 16 -5.166 -8.080 -5.852 103 HD2 LYS 16 2HD LYS 16 -6.111 -7.808 -3.544 104 HD3 LYS 16 3HD LYS 16 -5.209 -6.289 -3.394 105 HE2 LYS 16 2HE LYS 16 -6.428 -5.282 -5.193 106 HE3 LYS 16 3HE LYS 16 -7.156 -6.831 -5.655 107 HZ1 LYS 16 3HZ LYS 16 -8.682 -5.474 -4.338 108 HZ2 LYS 16 1HZ LYS 16 -8.319 -6.890 -3.580 109 HZ3 LYS 16 2HZ LYS 16 -7.628 -5.503 -3.060 110 H CYS 17 H CYS 17 -1.507 -6.137 -5.290 111 HA CYS 17 HA CYS 17 -1.419 -3.875 -3.539 112 HB2 CYS 17 2HB CYS 17 0.183 -4.509 -5.467 113 HB3 CYS 17 3HB CYS 17 -1.066 -3.818 -6.500 114 H THR 18 H THR 18 -2.770 -2.091 -3.697 115 HA THR 18 HA THR 18 -5.226 -2.469 -5.365 116 HB THR 18 HB THR 18 -5.105 -2.407 -2.645 117 HG1 THR 18 1HG THR 18 -6.768 -3.065 -4.101 118 HG21 THR 18 1HG2 THR 18 -6.178 -0.361 -1.924 119 HG22 THR 18 2HG2 THR 18 -4.595 0.012 -2.656 120 HG23 THR 18 3HG2 THR 18 -6.101 0.298 -3.573 121 H ILE 19 H ILE 19 -2.546 -0.315 -4.566 122 HA ILE 19 HA ILE 19 -3.658 1.874 -6.069 123 HB ILE 19 HB ILE 19 -0.900 1.123 -5.006 124 HG12 ILE 19 2HG1 ILE 19 -1.701 3.493 -3.877 125 HG13 ILE 19 3HG1 ILE 19 -3.260 2.733 -4.033 126 HG21 ILE 19 1HG2 ILE 19 -1.731 3.639 -6.486 127 HG22 ILE 19 2HG2 ILE 19 -0.195 3.411 -5.606 128 HG23 ILE 19 3HG2 ILE 19 -0.547 2.421 -7.023 129 HD11 ILE 19 3HD1 ILE 19 -2.411 0.796 -2.718 130 HD12 ILE 19 1HD1 ILE 19 -0.801 1.554 -2.646 131 HD13 ILE 19 2HD1 ILE 19 -2.183 2.331 -1.850 132 H CYS 20 H CYS 20 -1.636 -1.017 -6.726 133 HA CYS 20 HA CYS 20 -1.479 -0.268 -9.623 134 HB2 CYS 20 2HB CYS 20 -0.561 -2.785 -8.301 135 HB3 CYS 20 3HB CYS 20 -0.260 -2.255 -9.942 136 H LEU 21 H LEU 21 -4.073 -1.155 -7.857 137 HA LEU 21 HA LEU 21 -5.824 -2.697 -8.071 138 HB2 LEU 21 2HB LEU 21 -5.445 -1.149 -10.533 139 HB3 LEU 21 3HB LEU 21 -6.637 -2.441 -10.531 140 HG LEU 21 HG LEU 21 -7.035 -1.093 -8.063 141 HD11 LEU 21 1HD1 LEU 21 -6.889 0.841 -10.404 142 HD12 LEU 21 2HD1 LEU 21 -7.578 1.175 -8.795 143 HD13 LEU 21 3HD1 LEU 21 -5.844 0.836 -8.958 144 HD21 LEU 21 3HD2 LEU 21 -9.242 -0.700 -9.036 145 HD22 LEU 21 1HD2 LEU 21 -8.613 -1.087 -10.656 146 HD23 LEU 21 2HD2 LEU 21 -8.648 -2.338 -9.385 147 H SER 22 H SER 22 -3.565 -4.309 -7.967 148 HA SER 22 HA SER 22 -4.490 -6.676 -9.267 149 HB2 SER 22 2HB SER 22 -2.456 -5.029 -10.728 150 HB3 SER 22 3HB SER 22 -2.084 -6.753 -10.576 151 HG SER 22 HG SER 22 -4.518 -5.674 -11.541 152 H ILE 23 H ILE 23 -2.747 -8.467 -9.089 153 HA ILE 23 HA ILE 23 -1.803 -8.654 -6.432 154 HB ILE 23 HB ILE 23 -0.476 -10.578 -7.587 155 HG12 ILE 23 2HG1 ILE 23 -1.150 -9.395 -9.915 156 HG13 ILE 23 3HG1 ILE 23 -0.776 -11.068 -9.680 157 HG21 ILE 23 1HG2 ILE 23 -3.493 -10.535 -7.313 158 HG22 ILE 23 2HG2 ILE 23 -2.481 -12.000 -7.456 159 HG23 ILE 23 3HG2 ILE 23 -2.289 -10.939 -6.071 160 HD11 ILE 23 3HD1 ILE 23 -2.828 -10.736 -11.037 161 HD12 ILE 23 1HD1 ILE 23 -3.052 -11.746 -9.598 162 HD13 ILE 23 2HD1 ILE 23 -3.631 -10.068 -9.599 163 H LEU 24 H LEU 24 0.278 -8.639 -5.596 164 HA LEU 24 HA LEU 24 2.058 -6.676 -6.664 165 HB2 LEU 24 2HB LEU 24 1.990 -8.687 -4.384 166 HB3 LEU 24 3HB LEU 24 3.512 -7.942 -4.797 167 HG LEU 24 HG LEU 24 0.996 -6.402 -4.123 168 HD11 LEU 24 1HD1 LEU 24 2.236 -5.900 -1.959 169 HD12 LEU 24 2HD1 LEU 24 1.680 -7.574 -2.132 170 HD13 LEU 24 3HD1 LEU 24 3.383 -7.181 -2.410 171 HD21 LEU 24 3HD2 LEU 24 3.903 -5.524 -4.403 172 HD22 LEU 24 1HD2 LEU 24 2.567 -5.083 -5.484 173 HD23 LEU 24 2HD2 LEU 24 2.573 -4.494 -3.824 174 H GLU 25 H GLU 25 4.435 -7.425 -6.710 175 HA GLU 25 HA GLU 25 4.737 -9.706 -8.564 176 HB2 GLU 25 2HB GLU 25 6.352 -8.055 -9.790 177 HB3 GLU 25 3HB GLU 25 4.611 -8.009 -10.125 178 HG2 GLU 25 2HG GLU 25 4.270 -6.123 -8.671 179 HG3 GLU 25 3HG GLU 25 5.922 -6.219 -8.059 180 H GLU 26 H GLU 26 5.583 -10.839 -6.759 181 HA GLU 26 HA GLU 26 7.531 -9.886 -5.006 182 HB2 GLU 26 2HB GLU 26 7.099 -12.730 -6.032 183 HB3 GLU 26 3HB GLU 26 8.196 -12.282 -4.724 184 HG2 GLU 26 2HG GLU 26 6.400 -12.804 -3.449 185 HG3 GLU 26 3HG GLU 26 6.042 -11.097 -3.706 186 H GLY 27 H GLY 27 9.312 -8.847 -5.624 187 HA2 GLY 27 2HA GLY 27 11.446 -10.154 -7.072 188 HA3 GLY 27 3HA GLY 27 10.578 -8.963 -8.069 189 H GLU 28 H GLU 28 10.019 -6.827 -6.662 190 HA GLU 28 HA GLU 28 12.573 -5.879 -5.592 191 HB2 GLU 28 2HB GLU 28 10.408 -4.709 -7.061 192 HB3 GLU 28 3HB GLU 28 10.317 -4.001 -5.470 193 HG2 GLU 28 2HG GLU 28 11.743 -2.593 -6.735 194 HG3 GLU 28 3HG GLU 28 12.805 -3.494 -5.647 195 H ASP 29 H ASP 29 11.875 -4.181 -3.841 196 HA ASP 29 HA ASP 29 10.992 -5.739 -1.470 197 HB2 ASP 29 2HB ASP 29 12.619 -3.274 -1.890 198 HB3 ASP 29 3HB ASP 29 11.486 -3.180 -0.541 199 H VAL 30 H VAL 30 9.139 -5.289 -0.304 200 HA VAL 30 HA VAL 30 7.283 -3.312 -1.464 201 HB VAL 30 HB VAL 30 5.534 -4.698 -0.408 202 HG11 VAL 30 1HG1 VAL 30 7.258 -5.994 -2.523 203 HG12 VAL 30 2HG1 VAL 30 5.542 -6.363 -2.193 204 HG13 VAL 30 3HG1 VAL 30 6.010 -4.748 -2.753 205 HG21 VAL 30 3HG2 VAL 30 7.682 -6.816 -0.227 206 HG22 VAL 30 1HG2 VAL 30 7.074 -5.888 1.171 207 HG23 VAL 30 2HG2 VAL 30 5.976 -6.948 0.255 208 H ARG 31 H ARG 31 5.574 -2.706 0.417 209 HA ARG 31 HA ARG 31 6.801 -2.503 2.989 210 HB2 ARG 31 2HB ARG 31 7.726 -0.553 1.238 211 HB3 ARG 31 3HB ARG 31 6.404 0.264 2.040 212 HG2 ARG 31 2HG ARG 31 8.405 0.732 3.260 213 HG3 ARG 31 3HG ARG 31 7.500 -0.425 4.258 214 HD2 ARG 31 2HD ARG 31 8.907 -2.269 3.427 215 HD3 ARG 31 3HD ARG 31 9.664 -1.211 2.249 216 HE ARG 31 HE ARG 31 11.020 -0.307 3.854 217 HH11 ARG 31 2HH2 ARG 31 8.685 -2.467 5.355 218 HH12 ARG 31 1HH2 ARG 31 9.450 -2.510 6.906 219 HH21 ARG 31 2HH1 ARG 31 12.090 -0.343 5.913 220 HH22 ARG 31 1HH1 ARG 31 11.448 -1.261 7.223 221 H ARG 32 H ARG 32 5.297 -1.971 4.622 222 HA ARG 32 HA ARG 32 2.586 -1.565 3.621 223 HB2 ARG 32 2HB ARG 32 1.917 -2.095 5.976 224 HB3 ARG 32 3HB ARG 32 2.855 -3.381 5.241 225 HG2 ARG 32 2HG ARG 32 4.643 -1.542 6.626 226 HG3 ARG 32 3HG ARG 32 3.340 -2.064 7.707 227 HD2 ARG 32 2HD ARG 32 3.813 -4.385 7.327 228 HD3 ARG 32 3HD ARG 32 4.909 -4.008 5.981 229 HE ARG 32 HE ARG 32 5.721 -2.809 8.487 230 HH11 ARG 32 2HH2 ARG 32 5.573 -5.887 6.798 231 HH12 ARG 32 1HH2 ARG 32 7.128 -6.462 7.284 232 HH21 ARG 32 2HH1 ARG 32 7.729 -3.613 9.376 233 HH22 ARG 32 1HH1 ARG 32 8.356 -5.145 8.882 234 H LEU 33 H LEU 33 1.128 -0.084 4.721 235 HA LEU 33 HA LEU 33 2.495 2.522 5.045 236 HB2 LEU 33 2HB LEU 33 -0.417 2.215 5.688 237 HB3 LEU 33 3HB LEU 33 0.478 3.565 5.029 238 HG LEU 33 HG LEU 33 0.748 1.929 2.991 239 HD11 LEU 33 1HD1 LEU 33 -1.400 0.693 4.559 240 HD12 LEU 33 2HD1 LEU 33 -1.971 1.186 2.966 241 HD13 LEU 33 3HD1 LEU 33 -0.576 0.103 3.109 242 HD21 LEU 33 3HD2 LEU 33 -1.673 3.664 3.525 243 HD22 LEU 33 1HD2 LEU 33 -0.095 4.192 2.887 244 HD23 LEU 33 2HD2 LEU 33 -1.118 3.119 1.921 245 HA PRO 34 HA PRO 34 2.715 1.945 9.457 246 HB2 PRO 34 2HB PRO 34 1.996 4.545 10.366 247 HB3 PRO 34 3HB PRO 34 3.624 3.910 10.025 248 HG2 PRO 34 2HG PRO 34 1.998 5.771 8.415 249 HG3 PRO 34 3HG PRO 34 3.739 5.429 8.318 250 HD2 PRO 34 2HD PRO 34 1.718 4.525 6.542 251 HD3 PRO 34 3HD PRO 34 3.415 3.970 6.589 252 H CYS 35 H CYS 35 -0.211 2.534 7.905 253 HA CYS 35 HA CYS 35 -2.234 2.545 9.970 254 HB2 CYS 35 2HB CYS 35 -2.746 3.015 7.676 255 HB3 CYS 35 3HB CYS 35 -2.056 1.459 7.180 256 H MET 36 H MET 36 -0.626 -0.123 8.191 257 HA MET 36 HA MET 36 -0.504 -2.301 9.621 258 HB2 MET 36 2HB MET 36 -2.394 -2.125 10.966 259 HB3 MET 36 3HB MET 36 -3.443 -1.560 9.653 260 HG2 MET 36 2HG MET 36 -2.333 -4.317 9.405 261 HG3 MET 36 3HG MET 36 -3.495 -4.018 10.695 262 HE1 MET 36 3HE MET 36 -5.333 -5.517 10.085 263 HE2 MET 36 1HE MET 36 -5.905 -5.807 8.433 264 HE3 MET 36 2HE MET 36 -4.227 -6.211 8.878 265 H HIS 37 H HIS 37 -2.836 -1.229 7.051 266 HA HIS 37 HA HIS 37 -2.588 -3.687 5.634 267 HB2 HIS 37 1HB HIS 37 -3.206 -0.969 4.465 268 HB3 HIS 37 2HB HIS 37 -3.552 -2.493 3.717 269 HD2 HIS 37 2HD HIS 37 -5.336 -4.133 4.798 270 HE1 HIS 37 1HE HIS 37 -7.489 -1.247 7.053 271 HE2 HIS 37 2HE HIS 37 -7.490 -3.667 6.213 272 H LEU 38 H LEU 38 -1.325 -4.325 3.847 273 HA LEU 38 HA LEU 38 1.192 -2.801 3.592 274 HB2 LEU 38 2HB LEU 38 1.517 -4.945 4.467 275 HB3 LEU 38 3HB LEU 38 0.587 -5.682 3.163 276 HG LEU 38 HG LEU 38 3.070 -4.161 2.499 277 HD11 LEU 38 1HD1 LEU 38 3.134 -6.934 3.680 278 HD12 LEU 38 2HD1 LEU 38 4.459 -6.200 2.748 279 HD13 LEU 38 3HD1 LEU 38 3.924 -5.476 4.277 280 HD21 LEU 38 3HD2 LEU 38 2.437 -6.856 1.329 281 HD22 LEU 38 1HD2 LEU 38 1.361 -5.542 0.862 282 HD23 LEU 38 2HD2 LEU 38 3.106 -5.429 0.547 283 H PHE 39 H PHE 39 2.338 -2.615 1.527 284 HA PHE 39 HA PHE 39 0.873 -3.251 -0.878 285 HB2 PHE 39 2HB PHE 39 1.356 -0.387 0.070 286 HB3 PHE 39 3HB PHE 39 1.202 -0.730 -1.645 287 HD1 PHE 39 2HD PHE 39 -0.797 -2.677 -1.959 288 HD2 PHE 39 1HD PHE 39 -0.682 0.562 0.852 289 HE1 PHE 39 2HE PHE 39 -3.242 -2.852 -1.700 290 HE2 PHE 39 1HE PHE 39 -3.148 0.433 1.082 291 HZ PHE 39 HZ PHE 39 -4.443 -1.214 -0.293 292 H HIS 40 H HIS 40 2.293 -1.985 -2.734 293 HA HIS 40 HA HIS 40 5.013 -3.000 -2.706 294 HB2 HIS 40 1HB HIS 40 3.266 -1.281 -4.351 295 HB3 HIS 40 2HB HIS 40 4.978 -0.883 -4.480 296 HD2 HIS 40 2HD HIS 40 6.444 -3.399 -5.186 297 HE1 HIS 40 1HE HIS 40 3.651 -3.491 -8.382 298 HE2 HIS 40 2HE HIS 40 5.929 -4.197 -7.641 299 H GLN 41 H GLN 41 6.924 -1.767 -2.313 300 HA GLN 41 HA GLN 41 6.708 0.396 -0.463 301 HB2 GLN 41 2HB GLN 41 8.705 -1.191 -0.680 302 HB3 GLN 41 3HB GLN 41 9.092 -0.443 -2.214 303 HG2 GLN 41 2HG GLN 41 8.776 1.570 -0.072 304 HG3 GLN 41 3HG GLN 41 9.963 0.340 0.356 305 HE21 GLN 41 1HE2 GLN 41 9.795 3.377 -1.030 306 HE22 GLN 41 2HE2 GLN 41 11.223 3.209 -2.040 307 H VAL 42 H VAL 42 7.769 0.308 -3.864 308 HA VAL 42 HA VAL 42 7.946 3.116 -4.091 309 HB VAL 42 HB VAL 42 8.513 1.002 -5.696 310 HG11 VAL 42 1HG1 VAL 42 7.402 1.192 -7.833 311 HG12 VAL 42 2HG1 VAL 42 6.205 0.804 -6.589 312 HG13 VAL 42 3HG1 VAL 42 6.331 2.464 -7.226 313 HG21 VAL 42 3HG2 VAL 42 9.687 3.139 -5.669 314 HG22 VAL 42 1HG2 VAL 42 9.302 2.688 -7.337 315 HG23 VAL 42 2HG2 VAL 42 8.332 3.928 -6.508 316 H CYS 43 H CYS 43 5.158 1.102 -3.983 317 HA CYS 43 HA CYS 43 3.304 3.068 -5.341 318 HB2 CYS 43 2HB CYS 43 2.874 0.589 -3.707 319 HB3 CYS 43 3HB CYS 43 1.612 1.639 -4.274 320 H VAL 44 H VAL 44 4.298 2.062 -1.932 321 HA VAL 44 HA VAL 44 2.160 3.486 -0.759 322 HB VAL 44 HB VAL 44 4.142 1.783 0.074 323 HG11 VAL 44 1HG1 VAL 44 5.525 2.816 1.745 324 HG12 VAL 44 2HG1 VAL 44 5.857 3.534 0.162 325 HG13 VAL 44 3HG1 VAL 44 4.885 4.427 1.359 326 HG21 VAL 44 3HG2 VAL 44 3.218 2.126 2.322 327 HG22 VAL 44 1HG2 VAL 44 2.447 3.636 1.763 328 HG23 VAL 44 2HG2 VAL 44 1.971 2.067 1.058 329 H ASP 45 H ASP 45 5.158 4.358 -2.155 330 HA ASP 45 HA ASP 45 5.411 6.984 -0.903 331 HB2 ASP 45 2HB ASP 45 7.318 5.539 -1.764 332 HB3 ASP 45 3HB ASP 45 6.831 5.961 -3.407 333 H GLN 46 H GLN 46 4.930 6.113 -4.387 334 HA GLN 46 HA GLN 46 4.009 8.660 -5.220 335 HB2 GLN 46 2HB GLN 46 3.479 5.828 -6.189 336 HB3 GLN 46 3HB GLN 46 2.728 7.209 -6.982 337 HG2 GLN 46 2HG GLN 46 5.654 7.541 -6.576 338 HG3 GLN 46 3HG GLN 46 5.224 6.160 -7.586 339 HE21 GLN 46 1HE2 GLN 46 5.889 9.493 -7.749 340 HE22 GLN 46 2HE2 GLN 46 5.063 9.769 -9.280 341 H TRP 47 H TRP 47 2.252 6.017 -3.645 342 HA TRP 47 HA TRP 47 -0.338 7.069 -4.042 343 HB2 TRP 47 2HB TRP 47 0.098 4.755 -3.345 344 HB3 TRP 47 3HB TRP 47 0.696 5.320 -1.773 345 HD1 TRP 47 HD1 TRP 47 -1.098 4.998 0.004 346 HE1 TRP 47 HE1 TRP 47 -3.675 5.168 0.105 347 HE3 TRP 47 HE3 TRP 47 -2.103 6.293 -4.865 348 HZ2 TRP 47 HZ2 TRP 47 -5.796 5.391 -1.678 349 HZ3 TRP 47 HZ3 TRP 47 -4.428 6.642 -5.588 350 HH2 TRP 47 HH2 TRP 47 -6.323 6.154 -4.046 351 H LEU 48 H LEU 48 1.868 7.344 -1.207 352 HA LEU 48 HA LEU 48 0.379 9.140 0.282 353 HB2 LEU 48 2HB LEU 48 3.209 8.265 0.058 354 HB3 LEU 48 3HB LEU 48 3.050 9.856 0.708 355 HG LEU 48 HG LEU 48 1.545 7.422 1.756 356 HD11 LEU 48 1HD1 LEU 48 4.047 8.808 2.812 357 HD12 LEU 48 2HD1 LEU 48 3.177 7.481 3.618 358 HD13 LEU 48 3HD1 LEU 48 3.975 7.199 2.058 359 HD21 LEU 48 3HD2 LEU 48 0.392 9.523 2.351 360 HD22 LEU 48 1HD2 LEU 48 1.189 8.865 3.780 361 HD23 LEU 48 2HD2 LEU 48 1.922 10.230 2.909 362 H ILE 49 H ILE 49 2.381 9.885 -2.643 363 HA ILE 49 HA ILE 49 2.176 12.704 -2.345 364 HB ILE 49 HB ILE 49 2.405 10.983 -4.814 365 HG12 ILE 49 2HG1 ILE 49 4.237 10.580 -3.257 366 HG13 ILE 49 3HG1 ILE 49 4.727 11.352 -4.738 367 HG21 ILE 49 1HG2 ILE 49 3.372 13.037 -5.837 368 HG22 ILE 49 2HG2 ILE 49 1.624 13.063 -5.554 369 HG23 ILE 49 3HG2 ILE 49 2.701 13.949 -4.456 370 HD11 ILE 49 3HD1 ILE 49 4.309 12.700 -2.058 371 HD12 ILE 49 1HD1 ILE 49 5.861 12.374 -2.855 372 HD13 ILE 49 2HD1 ILE 49 4.734 13.549 -3.567 373 H THR 50 H THR 50 -0.016 10.262 -3.874 374 HA THR 50 HA THR 50 -1.940 12.356 -4.561 375 HB THR 50 HB THR 50 -3.371 10.221 -5.084 376 HG1 THR 50 1HG THR 50 -1.591 8.863 -4.030 377 HG21 THR 50 1HG2 THR 50 -2.248 10.025 -7.261 378 HG22 THR 50 2HG2 THR 50 -2.355 11.730 -6.771 379 HG23 THR 50 3HG2 THR 50 -0.814 10.847 -6.615 380 H ASN 51 H ASN 51 -2.615 9.376 -2.598 381 HA ASN 51 HA ASN 51 -4.556 11.006 -1.076 382 HB2 ASN 51 2HB ASN 51 -4.124 8.063 -1.603 383 HB3 ASN 51 3HB ASN 51 -5.128 8.592 -0.262 384 HD21 ASN 51 1HD2 ASN 51 -7.161 7.890 -1.040 385 HD22 ASN 51 2HD2 ASN 51 -7.847 8.590 -2.502 386 H LYS 52 H LYS 52 -3.838 11.794 0.847 387 HA LYS 52 HA LYS 52 -1.685 10.570 2.372 388 HB2 LYS 52 2HB LYS 52 -3.405 12.986 2.547 389 HB3 LYS 52 3HB LYS 52 -3.122 12.255 4.109 390 HG2 LYS 52 2HG LYS 52 -1.375 13.742 3.929 391 HG3 LYS 52 3HG LYS 52 -0.623 12.199 3.522 392 HD2 LYS 52 2HD LYS 52 -0.794 12.791 1.094 393 HD3 LYS 52 3HD LYS 52 -1.557 14.336 1.548 394 HE2 LYS 52 2HE LYS 52 0.461 14.844 2.978 395 HE3 LYS 52 3HE LYS 52 1.225 13.370 2.362 396 HZ1 LYS 52 3HZ LYS 52 0.432 15.696 0.734 397 HZ2 LYS 52 1HZ LYS 52 1.966 15.296 1.183 398 HZ3 LYS 52 2HZ LYS 52 1.119 14.309 0.155 399 H LYS 53 H LYS 53 -4.311 8.875 1.788 400 HA LYS 53 HA LYS 53 -4.896 8.157 4.603 401 HB2 LYS 53 2HB LYS 53 -7.028 8.578 2.435 402 HB3 LYS 53 3HB LYS 53 -7.272 8.058 4.095 403 HG2 LYS 53 2HG LYS 53 -6.275 10.157 4.925 404 HG3 LYS 53 3HG LYS 53 -6.129 10.772 3.286 405 HD2 LYS 53 2HD LYS 53 -8.787 10.005 4.563 406 HD3 LYS 53 3HD LYS 53 -8.088 11.637 4.554 407 HE2 LYS 53 2HE LYS 53 -7.814 11.288 1.991 408 HE3 LYS 53 3HE LYS 53 -8.992 9.978 2.185 409 HZ1 LYS 53 3HZ LYS 53 -9.377 12.802 2.978 410 HZ2 LYS 53 1HZ LYS 53 -10.030 12.108 1.637 411 HZ3 LYS 53 2HZ LYS 53 -10.503 11.621 3.146 412 H CYS 54 H CYS 54 -6.043 6.102 4.675 413 HA CYS 54 HA CYS 54 -4.441 4.112 3.180 414 HB2 CYS 54 2HB CYS 54 -5.394 4.006 5.567 415 HB3 CYS 54 3HB CYS 54 -6.953 3.688 4.787 416 HA PRO 55 HA PRO 55 -7.434 4.047 -0.205 417 HB2 PRO 55 2HB PRO 55 -6.559 1.932 -1.615 418 HB3 PRO 55 3HB PRO 55 -5.555 3.356 -1.505 419 HG2 PRO 55 2HG PRO 55 -5.334 0.878 0.157 420 HG3 PRO 55 3HG PRO 55 -4.045 1.765 -0.733 421 HD2 PRO 55 2HD PRO 55 -4.569 2.131 1.935 422 HD3 PRO 55 3HD PRO 55 -3.944 3.427 0.925 423 H ILE 56 H ILE 56 -6.828 1.494 2.157 424 HA ILE 56 HA ILE 56 -9.235 -0.019 1.365 425 HB ILE 56 HB ILE 56 -7.004 -0.557 3.324 426 HG12 ILE 56 2HG1 ILE 56 -7.887 -2.316 1.028 427 HG13 ILE 56 3HG1 ILE 56 -6.987 -0.851 0.632 428 HG21 ILE 56 1HG2 ILE 56 -8.152 -2.819 3.568 429 HG22 ILE 56 2HG2 ILE 56 -9.020 -1.494 4.350 430 HG23 ILE 56 3HG2 ILE 56 -9.577 -2.116 2.785 431 HD11 ILE 56 3HD1 ILE 56 -6.055 -2.924 2.633 432 HD12 ILE 56 1HD1 ILE 56 -5.496 -2.794 0.959 433 HD13 ILE 56 2HD1 ILE 56 -5.177 -1.466 2.108 434 H CYS 57 H CYS 57 -7.880 0.995 4.560 435 HA CYS 57 HA CYS 57 -10.538 1.067 5.746 436 HB2 CYS 57 2HB CYS 57 -9.294 1.879 7.712 437 HB3 CYS 57 3HB CYS 57 -8.800 0.335 7.108 438 H ARG 58 H ARG 58 -8.853 3.406 3.817 439 HA ARG 58 HA ARG 58 -9.425 5.516 3.212 440 HB2 ARG 58 2HB ARG 58 -11.695 3.941 3.284 441 HB3 ARG 58 3HB ARG 58 -12.204 5.313 4.250 442 HG2 ARG 58 2HG ARG 58 -11.140 5.320 1.389 443 HG3 ARG 58 3HG ARG 58 -12.797 5.608 1.923 444 HD2 ARG 58 2HD ARG 58 -11.665 7.614 3.280 445 HD3 ARG 58 3HD ARG 58 -10.392 7.420 2.080 446 HE ARG 58 HE ARG 58 -11.850 8.166 0.412 447 HH11 ARG 58 2HH2 ARG 58 -13.586 7.685 3.456 448 HH12 ARG 58 1HH2 ARG 58 -15.018 8.518 2.974 449 HH21 ARG 58 2HH1 ARG 58 -13.776 9.315 -0.270 450 HH22 ARG 58 1HH1 ARG 58 -15.116 9.469 0.803 451 H VAL 59 H VAL 59 -8.169 5.295 5.837 452 HA VAL 59 HA VAL 59 -9.187 7.886 6.867 453 HB VAL 59 HB VAL 59 -8.860 7.293 9.034 454 HG11 VAL 59 1HG1 VAL 59 -10.293 5.390 9.439 455 HG12 VAL 59 2HG1 VAL 59 -10.820 6.154 7.915 456 HG13 VAL 59 3HG1 VAL 59 -9.815 4.677 7.883 457 HG21 VAL 59 3HG2 VAL 59 -7.311 4.838 8.173 458 HG22 VAL 59 1HG2 VAL 59 -6.739 6.262 9.090 459 HG23 VAL 59 2HG2 VAL 59 -7.866 5.127 9.840 460 H ASP 60 H ASP 60 -7.534 9.256 7.779 461 HA ASP 60 HA ASP 60 -5.079 9.069 6.366 462 HB2 ASP 60 2HB ASP 60 -5.592 10.810 8.828 463 HB3 ASP 60 3HB ASP 60 -4.544 11.100 7.469 464 H ILE 61 H ILE 61 -3.427 7.802 6.947 465 HA ILE 61 HA ILE 61 -3.356 6.179 9.103 466 HB ILE 61 HB ILE 61 -0.942 7.307 7.669 467 HG12 ILE 61 2HG1 ILE 61 -1.634 4.845 6.552 468 HG13 ILE 61 3HG1 ILE 61 -3.209 5.556 6.812 469 HG21 ILE 61 1HG2 ILE 61 -0.320 6.036 9.607 470 HG22 ILE 61 2HG2 ILE 61 -1.531 4.792 9.244 471 HG23 ILE 61 3HG2 ILE 61 -0.102 4.984 8.193 472 HD11 ILE 61 3HD1 ILE 61 -2.506 6.201 4.622 473 HD12 ILE 61 1HD1 ILE 61 -2.235 7.651 5.613 474 HD13 ILE 61 2HD1 ILE 61 -0.869 6.615 5.187 475 H GLU 62 H GLU 62 -2.449 9.497 8.987 476 HA GLU 62 HA GLU 62 -1.833 11.061 10.503 477 HB2 GLU 62 2HB GLU 62 -4.143 10.042 11.255 478 HB3 GLU 62 3HB GLU 62 -3.234 9.545 12.688 479 HG2 GLU 62 2HG GLU 62 -2.443 11.945 12.912 480 HG3 GLU 62 3HG GLU 62 -3.426 12.358 11.506 481 H ALA 63 H ALA 63 0.303 9.871 10.022 482 HA ALA 63 HA ALA 63 1.709 9.693 12.620 483 HB1 ALA 63 1HB ALA 63 1.186 7.341 11.992 484 HB2 ALA 63 2HB ALA 63 1.998 7.586 10.428 485 HB3 ALA 63 3HB ALA 63 2.932 7.659 11.939 486 H GLN 64 H GLN 64 4.050 9.862 12.342 487 HA GLN 64 HA GLN 64 5.886 10.980 11.694 488 HB2 GLN 64 2HB GLN 64 4.872 10.153 8.961 489 HB3 GLN 64 3HB GLN 64 6.374 11.050 9.157 490 HG2 GLN 64 2HG GLN 64 7.363 9.352 10.520 491 HG3 GLN 64 3HG GLN 64 5.827 8.499 10.710 492 HE21 GLN 64 1HE2 GLN 64 8.650 8.898 8.619 493 HE22 GLN 64 2HE2 GLN 64 8.088 7.724 7.438 494 H LEU 65 H LEU 65 6.626 12.862 10.035 495 HA LEU 65 HA LEU 65 5.192 15.192 10.951 496 HB2 LEU 65 2HB LEU 65 6.797 16.413 9.472 497 HB3 LEU 65 3HB LEU 65 7.569 15.373 10.650 498 HG LEU 65 HG LEU 65 7.101 13.969 8.087 499 HD11 LEU 65 1HD1 LEU 65 8.844 15.209 6.844 500 HD12 LEU 65 2HD1 LEU 65 7.393 16.197 7.122 501 HD13 LEU 65 3HD1 LEU 65 8.853 16.460 8.099 502 HD21 LEU 65 3HD2 LEU 65 9.453 13.390 8.355 503 HD22 LEU 65 1HD2 LEU 65 9.658 14.629 9.605 504 HD23 LEU 65 2HD2 LEU 65 8.647 13.204 9.925 505 HA PRO 66 HA PRO 66 2.180 15.330 7.807 506 HB2 PRO 66 2HB PRO 66 1.354 17.919 7.843 507 HB3 PRO 66 3HB PRO 66 1.286 16.904 9.311 508 HG2 PRO 66 2HG PRO 66 3.511 18.827 8.526 509 HG3 PRO 66 3HG PRO 66 2.578 18.798 10.060 510 HD2 PRO 66 2HD PRO 66 4.971 17.544 9.845 511 HD3 PRO 66 3HD PRO 66 3.629 16.799 10.768 512 H SER 67 H SER 67 4.169 14.811 6.302 513 HA SER 67 HA SER 67 4.851 14.898 4.150 514 HB2 SER 67 2HB SER 67 2.468 15.996 3.916 515 HB3 SER 67 3HB SER 67 3.380 17.484 3.621 516 HG SER 67 HG SER 67 4.382 16.456 1.871 517 H GLU 68 H GLU 68 6.538 16.097 2.823 518 HA GLU 68 HA GLU 68 7.446 18.611 3.935 519 HB2 GLU 68 2HB GLU 68 8.682 16.337 4.908 520 HB3 GLU 68 3HB GLU 68 9.702 16.709 3.519 521 HG2 GLU 68 2HG GLU 68 10.063 18.997 4.369 522 HG3 GLU 68 3HG GLU 68 8.879 18.735 5.653 523 H SER 69 H SER 69 9.605 19.070 2.376 524 HA SER 69 HA SER 69 8.439 19.098 -0.314 525 HB2 SER 69 2HB SER 69 11.048 20.254 0.747 526 HB3 SER 69 3HB SER 69 10.231 20.668 -0.774 527 HG SER 69 HG SER 69 9.802 22.182 0.934 Start of MODEL 25 1 H1 MET 1 H1 MET 1 6.545 -27.475 8.268 2 H2 MET 1 H2 MET 1 7.990 -27.458 7.456 3 H3 MET 1 H3 MET 1 7.511 -28.787 8.325 4 HA MET 1 HA MET 1 9.162 -27.634 9.597 5 HB2 MET 1 2HB MET 1 7.247 -25.319 9.103 6 HB3 MET 1 3HB MET 1 8.344 -25.322 10.494 7 HG2 MET 1 2HG MET 1 10.291 -25.533 9.041 8 HG3 MET 1 3HG MET 1 9.253 -25.674 7.619 9 HE1 MET 1 3HE MET 1 11.397 -23.270 9.681 10 HE2 MET 1 1HE MET 1 10.381 -21.826 9.870 11 HE3 MET 1 2HE MET 1 9.948 -23.329 10.717 12 H LYS 2 H LYS 2 8.851 -27.169 11.995 13 HA LYS 2 HA LYS 2 6.251 -28.235 12.942 14 HB2 LYS 2 2HB LYS 2 8.073 -29.810 13.396 15 HB3 LYS 2 3HB LYS 2 9.028 -28.538 14.161 16 HG2 LYS 2 2HG LYS 2 7.204 -28.258 15.868 17 HG3 LYS 2 3HG LYS 2 6.298 -29.559 15.094 18 HD2 LYS 2 2HD LYS 2 7.882 -31.180 15.767 19 HD3 LYS 2 3HD LYS 2 9.138 -29.953 16.100 20 HE2 LYS 2 2HE LYS 2 8.120 -29.173 18.035 21 HE3 LYS 2 3HE LYS 2 6.509 -29.670 17.519 22 HZ1 LYS 2 3HZ LYS 2 8.610 -31.532 18.435 23 HZ2 LYS 2 1HZ LYS 2 7.327 -31.018 19.330 24 HZ3 LYS 2 2HZ LYS 2 7.072 -31.937 17.993 25 H GLN 3 H GLN 3 8.575 -26.806 15.042 26 HA GLN 3 HA GLN 3 8.370 -25.135 16.523 27 HB2 GLN 3 2HB GLN 3 7.266 -23.678 14.116 28 HB3 GLN 3 3HB GLN 3 7.254 -22.926 15.714 29 HG2 GLN 3 2HG GLN 3 9.576 -22.928 15.920 30 HG3 GLN 3 3HG GLN 3 9.793 -24.248 14.766 31 HE21 GLN 3 1HE2 GLN 3 11.426 -23.037 13.608 32 HE22 GLN 3 2HE2 GLN 3 10.919 -21.696 12.589 33 H ASP 4 H ASP 4 6.508 -23.692 17.655 34 HA ASP 4 HA ASP 4 3.949 -25.052 17.653 35 HB2 ASP 4 2HB ASP 4 5.419 -26.556 19.040 36 HB3 ASP 4 3HB ASP 4 5.794 -25.180 20.087 37 H GLY 5 H GLY 5 2.449 -23.647 18.633 38 HA2 GLY 5 2HA GLY 5 1.983 -21.493 19.789 39 HA3 GLY 5 3HA GLY 5 3.502 -20.869 19.111 40 H GLU 6 H GLU 6 0.904 -19.641 18.680 41 HA GLU 6 HA GLU 6 0.975 -19.389 15.878 42 HB2 GLU 6 2HB GLU 6 -1.495 -19.997 15.550 43 HB3 GLU 6 3HB GLU 6 -0.337 -21.319 15.588 44 HG2 GLU 6 2HG GLU 6 -0.965 -21.920 17.864 45 HG3 GLU 6 3HG GLU 6 -2.016 -20.509 18.003 46 H GLU 7 H GLU 7 0.645 -17.174 15.684 47 HA GLU 7 HA GLU 7 -1.708 -16.035 16.910 48 HB2 GLU 7 2HB GLU 7 -0.388 -14.147 17.945 49 HB3 GLU 7 3HB GLU 7 -0.347 -15.663 18.824 50 HG2 GLU 7 2HG GLU 7 1.895 -15.243 16.865 51 HG3 GLU 7 3HG GLU 7 1.846 -14.149 18.239 52 H GLY 8 H GLY 8 -2.167 -13.909 15.997 53 HA2 GLY 8 2HA GLY 8 -0.927 -13.428 13.357 54 HA3 GLY 8 3HA GLY 8 -2.298 -12.559 14.085 55 H THR 9 H THR 9 1.216 -13.047 14.261 56 HA THR 9 HA THR 9 1.588 -10.741 16.002 57 HB THR 9 HB THR 9 2.995 -12.711 16.160 58 HG1 THR 9 1HG THR 9 4.963 -11.416 16.175 59 HG21 THR 9 1HG2 THR 9 4.690 -13.206 14.554 60 HG22 THR 9 2HG2 THR 9 3.174 -13.054 13.642 61 HG23 THR 9 3HG2 THR 9 4.338 -11.717 13.634 62 H GLU 10 H GLU 10 2.353 -8.732 15.394 63 HA GLU 10 HA GLU 10 2.258 -6.837 14.188 64 HB2 GLU 10 2HB GLU 10 3.710 -8.678 12.324 65 HB3 GLU 10 3HB GLU 10 3.159 -7.138 11.669 66 HG2 GLU 10 2HG GLU 10 4.505 -5.874 13.039 67 HG3 GLU 10 3HG GLU 10 4.484 -7.046 14.356 68 H GLU 11 H GLU 11 1.404 -5.908 11.883 69 HA GLU 11 HA GLU 11 -1.413 -6.877 11.697 70 HB2 GLU 11 2HB GLU 11 -0.024 -4.236 11.249 71 HB3 GLU 11 3HB GLU 11 -1.467 -4.598 10.310 72 HG2 GLU 11 2HG GLU 11 -1.367 -4.771 13.344 73 HG3 GLU 11 3HG GLU 11 -1.889 -3.341 12.448 74 H ASP 12 H ASP 12 0.122 -5.107 9.146 75 HA ASP 12 HA ASP 12 0.593 -5.632 6.978 76 HB2 ASP 12 2HB ASP 12 2.583 -6.470 8.352 77 HB3 ASP 12 3HB ASP 12 1.947 -8.106 8.137 78 H THR 13 H THR 13 -1.832 -6.001 7.124 79 HA THR 13 HA THR 13 -2.526 -8.758 6.311 80 HB THR 13 HB THR 13 -3.877 -7.221 7.854 81 HG1 THR 13 1HG THR 13 -4.723 -9.118 7.226 82 HG21 THR 13 1HG2 THR 13 -3.843 -5.368 6.087 83 HG22 THR 13 2HG2 THR 13 -5.153 -6.294 5.309 84 HG23 THR 13 3HG2 THR 13 -5.371 -5.678 6.965 85 H GLU 14 H GLU 14 -0.821 -8.519 4.710 86 HA GLU 14 HA GLU 14 -1.240 -6.863 2.401 87 HB2 GLU 14 2HB GLU 14 0.403 -8.148 1.242 88 HB3 GLU 14 3HB GLU 14 0.976 -7.768 2.859 89 HG2 GLU 14 2HG GLU 14 0.808 -10.017 3.598 90 HG3 GLU 14 3HG GLU 14 -0.079 -10.518 2.154 91 H GLU 15 H GLU 15 -2.933 -7.019 0.976 92 HA GLU 15 HA GLU 15 -3.445 -9.640 -0.114 93 HB2 GLU 15 2HB GLU 15 -5.555 -8.138 1.450 94 HB3 GLU 15 3HB GLU 15 -6.016 -9.024 0.001 95 HG2 GLU 15 2HG GLU 15 -4.596 -10.988 1.135 96 HG3 GLU 15 3HG GLU 15 -5.048 -10.118 2.613 97 H LYS 16 H LYS 16 -2.389 -8.755 -1.854 98 HA LYS 16 HA LYS 16 -2.432 -8.220 -4.049 99 HB2 LYS 16 2HB LYS 16 -5.431 -7.832 -3.652 100 HB3 LYS 16 3HB LYS 16 -4.591 -7.974 -5.181 101 HG2 LYS 16 2HG LYS 16 -5.628 -10.071 -4.726 102 HG3 LYS 16 3HG LYS 16 -3.880 -10.309 -4.557 103 HD2 LYS 16 2HD LYS 16 -3.981 -10.514 -2.254 104 HD3 LYS 16 3HD LYS 16 -5.572 -9.724 -2.137 105 HE2 LYS 16 2HE LYS 16 -5.508 -12.247 -3.717 106 HE3 LYS 16 3HE LYS 16 -5.122 -12.419 -1.996 107 HZ1 LYS 16 3HZ LYS 16 -7.585 -11.170 -3.031 108 HZ2 LYS 16 1HZ LYS 16 -7.449 -12.640 -2.270 109 HZ3 LYS 16 2HZ LYS 16 -7.144 -11.286 -1.451 110 H CYS 17 H CYS 17 -1.426 -6.380 -4.773 111 HA CYS 17 HA CYS 17 -1.818 -3.939 -3.480 112 HB2 CYS 17 2HB CYS 17 0.182 -4.679 -4.785 113 HB3 CYS 17 3HB CYS 17 -0.693 -4.224 -6.247 114 H THR 18 H THR 18 -2.973 -2.223 -3.897 115 HA THR 18 HA THR 18 -5.141 -2.481 -5.951 116 HB THR 18 HB THR 18 -5.617 -2.692 -3.389 117 HG1 THR 18 1HG THR 18 -7.175 -1.325 -5.329 118 HG21 THR 18 1HG2 THR 18 -6.031 0.261 -3.957 119 HG22 THR 18 2HG2 THR 18 -6.521 -0.618 -2.492 120 HG23 THR 18 3HG2 THR 18 -4.792 -0.402 -2.861 121 H ILE 19 H ILE 19 -2.588 -0.439 -4.685 122 HA ILE 19 HA ILE 19 -3.420 1.908 -6.140 123 HB ILE 19 HB ILE 19 -0.824 0.906 -4.889 124 HG12 ILE 19 2HG1 ILE 19 -1.592 3.195 -3.596 125 HG13 ILE 19 3HG1 ILE 19 -3.173 2.576 -3.981 126 HG21 ILE 19 1HG2 ILE 19 -0.218 2.339 -6.737 127 HG22 ILE 19 2HG2 ILE 19 -1.376 3.583 -6.200 128 HG23 ILE 19 3HG2 ILE 19 0.058 3.183 -5.214 129 HD11 ILE 19 3HD1 ILE 19 -2.658 0.501 -2.772 130 HD12 ILE 19 1HD1 ILE 19 -0.963 1.008 -2.564 131 HD13 ILE 19 2HD1 ILE 19 -2.257 1.901 -1.753 132 H CYS 20 H CYS 20 -1.527 -1.052 -6.753 133 HA CYS 20 HA CYS 20 -0.829 -0.223 -9.531 134 HB2 CYS 20 2HB CYS 20 -0.518 -2.821 -8.072 135 HB3 CYS 20 3HB CYS 20 0.059 -2.468 -9.701 136 H LEU 21 H LEU 21 -3.777 -0.913 -8.233 137 HA LEU 21 HA LEU 21 -5.516 -2.316 -8.637 138 HB2 LEU 21 2HB LEU 21 -4.989 -0.963 -11.215 139 HB3 LEU 21 3HB LEU 21 -6.280 -2.162 -11.060 140 HG LEU 21 HG LEU 21 -6.966 -0.885 -8.918 141 HD11 LEU 21 1HD1 LEU 21 -6.609 1.528 -9.030 142 HD12 LEU 21 2HD1 LEU 21 -5.047 0.698 -8.972 143 HD13 LEU 21 3HD1 LEU 21 -5.634 1.352 -10.512 144 HD21 LEU 21 3HD2 LEU 21 -7.499 0.167 -11.730 145 HD22 LEU 21 1HD2 LEU 21 -8.355 -1.163 -10.917 146 HD23 LEU 21 2HD2 LEU 21 -8.506 0.489 -10.297 147 H SER 22 H SER 22 -3.379 -3.989 -8.309 148 HA SER 22 HA SER 22 -4.168 -6.289 -9.798 149 HB2 SER 22 2HB SER 22 -2.757 -4.865 -11.517 150 HB3 SER 22 3HB SER 22 -1.367 -5.444 -10.582 151 HG SER 22 HG SER 22 -2.218 -6.754 -12.429 152 H ILE 23 H ILE 23 -2.887 -8.209 -9.220 153 HA ILE 23 HA ILE 23 -2.272 -8.316 -6.517 154 HB ILE 23 HB ILE 23 -1.441 -10.567 -7.020 155 HG12 ILE 23 2HG1 ILE 23 -2.187 -11.351 -9.385 156 HG13 ILE 23 3HG1 ILE 23 -1.843 -9.721 -9.933 157 HG21 ILE 23 1HG2 ILE 23 -3.579 -11.402 -7.505 158 HG22 ILE 23 2HG2 ILE 23 -3.844 -9.851 -6.680 159 HG23 ILE 23 3HG2 ILE 23 -4.043 -9.959 -8.438 160 HD11 ILE 23 3HD1 ILE 23 0.088 -11.529 -8.452 161 HD12 ILE 23 1HD1 ILE 23 0.068 -11.272 -10.216 162 HD13 ILE 23 2HD1 ILE 23 0.456 -9.921 -9.132 163 H LEU 24 H LEU 24 -0.325 -8.782 -5.369 164 HA LEU 24 HA LEU 24 1.886 -7.131 -6.193 165 HB2 LEU 24 2HB LEU 24 1.249 -9.012 -3.891 166 HB3 LEU 24 3HB LEU 24 2.903 -8.542 -4.171 167 HG LEU 24 HG LEU 24 0.615 -6.639 -3.719 168 HD11 LEU 24 1HD1 LEU 24 2.899 -6.764 -1.793 169 HD12 LEU 24 2HD1 LEU 24 1.180 -6.462 -1.505 170 HD13 LEU 24 3HD1 LEU 24 1.763 -8.123 -1.753 171 HD21 LEU 24 3HD2 LEU 24 2.444 -4.923 -3.391 172 HD22 LEU 24 1HD2 LEU 24 3.595 -6.113 -4.039 173 HD23 LEU 24 2HD2 LEU 24 2.275 -5.493 -5.050 174 H GLU 25 H GLU 25 4.068 -7.978 -6.226 175 HA GLU 25 HA GLU 25 4.381 -10.578 -7.563 176 HB2 GLU 25 2HB GLU 25 5.501 -9.564 -9.478 177 HB3 GLU 25 3HB GLU 25 3.848 -8.924 -9.346 178 HG2 GLU 25 2HG GLU 25 4.853 -7.013 -7.985 179 HG3 GLU 25 3HG GLU 25 6.444 -7.578 -8.494 180 H GLU 26 H GLU 26 6.607 -11.336 -7.369 181 HA GLU 26 HA GLU 26 8.196 -10.035 -5.341 182 HB2 GLU 26 2HB GLU 26 8.623 -12.480 -7.102 183 HB3 GLU 26 3HB GLU 26 9.805 -11.891 -5.913 184 HG2 GLU 26 2HG GLU 26 8.110 -12.110 -4.114 185 HG3 GLU 26 3HG GLU 26 6.941 -12.732 -5.286 186 H GLY 27 H GLY 27 8.283 -7.986 -6.503 187 HA2 GLY 27 2HA GLY 27 10.091 -7.929 -8.885 188 HA3 GLY 27 3HA GLY 27 9.048 -6.610 -8.324 189 H GLU 28 H GLU 28 9.603 -5.899 -5.885 190 HA GLU 28 HA GLU 28 12.419 -6.139 -5.229 191 HB2 GLU 28 2HB GLU 28 11.622 -4.017 -6.747 192 HB3 GLU 28 3HB GLU 28 11.188 -3.410 -5.159 193 HG2 GLU 28 2HG GLU 28 13.619 -4.276 -4.498 194 HG3 GLU 28 3HG GLU 28 13.889 -4.294 -6.236 195 H ASP 29 H ASP 29 12.179 -4.122 -3.241 196 HA ASP 29 HA ASP 29 10.973 -5.742 -1.170 197 HB2 ASP 29 2HB ASP 29 12.690 -3.332 -1.285 198 HB3 ASP 29 3HB ASP 29 11.487 -3.276 0.004 199 H VAL 30 H VAL 30 9.081 -5.455 -0.079 200 HA VAL 30 HA VAL 30 7.181 -3.519 -1.235 201 HB VAL 30 HB VAL 30 5.524 -4.767 0.047 202 HG11 VAL 30 1HG1 VAL 30 7.095 -6.147 -2.131 203 HG12 VAL 30 2HG1 VAL 30 5.499 -6.696 -1.547 204 HG13 VAL 30 3HG1 VAL 30 5.668 -5.093 -2.258 205 HG21 VAL 30 3HG2 VAL 30 6.005 -6.978 0.873 206 HG22 VAL 30 1HG2 VAL 30 7.679 -6.886 0.290 207 HG23 VAL 30 2HG2 VAL 30 7.145 -5.840 1.634 208 H ARG 31 H ARG 31 5.573 -2.734 0.682 209 HA ARG 31 HA ARG 31 6.835 -2.511 3.239 210 HB2 ARG 31 2HB ARG 31 7.636 -0.517 1.483 211 HB3 ARG 31 3HB ARG 31 6.305 0.245 2.332 212 HG2 ARG 31 2HG ARG 31 8.324 0.802 3.465 213 HG3 ARG 31 3HG ARG 31 7.469 -0.352 4.505 214 HD2 ARG 31 2HD ARG 31 8.915 -2.162 3.758 215 HD3 ARG 31 3HD ARG 31 9.641 -1.161 2.510 216 HE ARG 31 HE ARG 31 10.134 -1.126 5.414 217 HH11 ARG 31 2HH2 ARG 31 10.995 0.283 2.240 218 HH12 ARG 31 1HH2 ARG 31 12.205 1.290 2.843 219 HH21 ARG 31 2HH1 ARG 31 11.864 0.192 6.226 220 HH22 ARG 31 1HH1 ARG 31 12.757 1.202 5.145 221 H ARG 32 H ARG 32 5.351 -1.854 4.914 222 HA ARG 32 HA ARG 32 2.614 -1.551 3.915 223 HB2 ARG 32 2HB ARG 32 1.938 -2.383 6.134 224 HB3 ARG 32 3HB ARG 32 2.965 -3.523 5.286 225 HG2 ARG 32 2HG ARG 32 4.677 -1.882 6.918 226 HG3 ARG 32 3HG ARG 32 3.288 -2.383 7.895 227 HD2 ARG 32 2HD ARG 32 3.644 -4.734 7.158 228 HD3 ARG 32 3HD ARG 32 5.090 -4.231 6.271 229 HE ARG 32 HE ARG 32 5.289 -3.292 8.934 230 HH11 ARG 32 2HH2 ARG 32 5.265 -6.471 7.312 231 HH12 ARG 32 1HH2 ARG 32 6.161 -7.240 8.569 232 HH21 ARG 32 2HH1 ARG 32 6.471 -4.377 10.603 233 HH22 ARG 32 1HH1 ARG 32 6.741 -6.068 10.462 234 H LEU 33 H LEU 33 1.172 -0.117 4.827 235 HA LEU 33 HA LEU 33 2.470 2.434 5.497 236 HB2 LEU 33 2HB LEU 33 -0.480 2.061 5.886 237 HB3 LEU 33 3HB LEU 33 0.451 3.472 5.432 238 HG LEU 33 HG LEU 33 0.904 2.122 3.261 239 HD11 LEU 33 1HD1 LEU 33 -1.599 1.069 2.844 240 HD12 LEU 33 2HD1 LEU 33 -0.185 0.102 3.304 241 HD13 LEU 33 3HD1 LEU 33 -1.348 0.633 4.531 242 HD21 LEU 33 3HD2 LEU 33 -1.041 3.241 2.231 243 HD22 LEU 33 1HD2 LEU 33 -1.711 3.531 3.858 244 HD23 LEU 33 2HD2 LEU 33 -0.174 4.285 3.365 245 HA PRO 34 HA PRO 34 2.384 1.416 9.796 246 HB2 PRO 34 2HB PRO 34 2.095 3.944 10.978 247 HB3 PRO 34 3HB PRO 34 3.594 3.175 10.395 248 HG2 PRO 34 2HG PRO 34 1.955 5.294 9.076 249 HG3 PRO 34 3HG PRO 34 3.714 5.033 9.013 250 HD2 PRO 34 2HD PRO 34 1.939 4.296 6.995 251 HD3 PRO 34 3HD PRO 34 3.539 3.539 7.256 252 H CYS 35 H CYS 35 -0.443 2.308 8.211 253 HA CYS 35 HA CYS 35 -2.243 2.505 10.510 254 HB2 CYS 35 2HB CYS 35 -3.990 2.201 9.026 255 HB3 CYS 35 3HB CYS 35 -2.890 3.325 8.259 256 H MET 36 H MET 36 -1.266 -0.207 8.324 257 HA MET 36 HA MET 36 -1.099 -2.294 9.948 258 HB2 MET 36 2HB MET 36 -3.327 -3.346 9.678 259 HB3 MET 36 3HB MET 36 -3.274 -2.032 10.846 260 HG2 MET 36 2HG MET 36 -4.244 -0.541 9.022 261 HG3 MET 36 3HG MET 36 -4.456 -2.010 8.062 262 HE1 MET 36 3HE MET 36 -5.412 -4.175 10.017 263 HE2 MET 36 1HE MET 36 -7.171 -3.964 10.074 264 HE3 MET 36 2HE MET 36 -6.316 -3.862 8.517 265 H HIS 37 H HIS 37 -2.784 -1.203 6.970 266 HA HIS 37 HA HIS 37 -2.525 -3.731 5.654 267 HB2 HIS 37 1HB HIS 37 -3.116 -0.979 4.503 268 HB3 HIS 37 2HB HIS 37 -3.436 -2.502 3.719 269 HD2 HIS 37 2HD HIS 37 -5.317 -4.121 4.713 270 HE1 HIS 37 1HE HIS 37 -7.481 -1.156 6.866 271 HE2 HIS 37 2HE HIS 37 -7.532 -3.568 5.991 272 H LEU 38 H LEU 38 -1.309 -4.255 3.758 273 HA LEU 38 HA LEU 38 1.272 -2.803 3.580 274 HB2 LEU 38 2HB LEU 38 1.554 -4.952 4.449 275 HB3 LEU 38 3HB LEU 38 0.670 -5.686 3.111 276 HG LEU 38 HG LEU 38 3.103 -4.069 2.507 277 HD11 LEU 38 1HD1 LEU 38 3.920 -5.453 4.340 278 HD12 LEU 38 2HD1 LEU 38 3.414 -6.906 3.466 279 HD13 LEU 38 3HD1 LEU 38 4.672 -5.859 2.789 280 HD21 LEU 38 3HD2 LEU 38 1.604 -5.372 0.740 281 HD22 LEU 38 1HD2 LEU 38 3.367 -5.519 0.629 282 HD23 LEU 38 2HD2 LEU 38 2.417 -6.804 1.368 283 H PHE 39 H PHE 39 2.314 -2.555 1.537 284 HA PHE 39 HA PHE 39 0.923 -3.337 -0.893 285 HB2 PHE 39 2HB PHE 39 1.389 -0.435 -0.091 286 HB3 PHE 39 3HB PHE 39 1.233 -0.894 -1.779 287 HD1 PHE 39 2HD PHE 39 -0.746 -2.592 -2.254 288 HD2 PHE 39 1HD PHE 39 -0.627 0.160 1.014 289 HE1 PHE 39 2HE PHE 39 -3.245 -2.792 -2.008 290 HE2 PHE 39 1HE PHE 39 -3.097 -0.024 1.266 291 HZ PHE 39 HZ PHE 39 -4.403 -1.417 -0.375 292 H HIS 40 H HIS 40 2.512 -2.167 -2.798 293 HA HIS 40 HA HIS 40 5.216 -3.161 -2.321 294 HB2 HIS 40 1HB HIS 40 4.137 -1.216 -4.374 295 HB3 HIS 40 2HB HIS 40 5.792 -1.716 -4.301 296 HD2 HIS 40 2HD HIS 40 6.384 -4.281 -4.952 297 HE1 HIS 40 1HE HIS 40 3.187 -4.391 -7.757 298 HE2 HIS 40 2HE HIS 40 5.391 -5.427 -7.100 299 H GLN 41 H GLN 41 7.102 -1.847 -1.859 300 HA GLN 41 HA GLN 41 6.638 0.422 -0.242 301 HB2 GLN 41 2HB GLN 41 8.819 -0.991 -0.321 302 HB3 GLN 41 3HB GLN 41 9.154 -0.242 -1.871 303 HG2 GLN 41 2HG GLN 41 8.820 2.047 -0.509 304 HG3 GLN 41 3HG GLN 41 9.133 1.021 0.881 305 HE21 GLN 41 1HE2 GLN 41 10.482 1.955 -2.354 306 HE22 GLN 41 2HE2 GLN 41 12.143 1.713 -1.856 307 H VAL 42 H VAL 42 7.782 0.128 -3.601 308 HA VAL 42 HA VAL 42 7.927 2.940 -4.004 309 HB VAL 42 HB VAL 42 8.655 0.743 -5.405 310 HG11 VAL 42 1HG1 VAL 42 6.516 1.975 -7.171 311 HG12 VAL 42 2HG1 VAL 42 7.675 0.713 -7.611 312 HG13 VAL 42 3HG1 VAL 42 6.425 0.367 -6.405 313 HG21 VAL 42 3HG2 VAL 42 9.516 2.314 -7.107 314 HG22 VAL 42 1HG2 VAL 42 8.406 3.570 -6.511 315 HG23 VAL 42 2HG2 VAL 42 9.716 2.967 -5.475 316 H CYS 43 H CYS 43 5.194 0.888 -3.840 317 HA CYS 43 HA CYS 43 3.309 2.760 -5.289 318 HB2 CYS 43 2HB CYS 43 2.937 0.330 -3.547 319 HB3 CYS 43 3HB CYS 43 1.654 1.368 -4.110 320 H VAL 44 H VAL 44 4.323 1.919 -1.861 321 HA VAL 44 HA VAL 44 2.202 3.343 -0.689 322 HB VAL 44 HB VAL 44 4.211 1.669 0.126 323 HG11 VAL 44 1HG1 VAL 44 5.898 3.466 0.195 324 HG12 VAL 44 2HG1 VAL 44 4.925 4.322 1.414 325 HG13 VAL 44 3HG1 VAL 44 5.605 2.720 1.772 326 HG21 VAL 44 3HG2 VAL 44 3.327 2.012 2.393 327 HG22 VAL 44 1HG2 VAL 44 2.528 3.510 1.844 328 HG23 VAL 44 2HG2 VAL 44 2.051 1.931 1.163 329 H ASP 45 H ASP 45 5.145 4.254 -2.130 330 HA ASP 45 HA ASP 45 5.370 6.976 -1.048 331 HB2 ASP 45 2HB ASP 45 7.397 5.944 -1.881 332 HB3 ASP 45 3HB ASP 45 6.642 5.545 -3.423 333 H GLN 46 H GLN 46 4.845 6.111 -4.533 334 HA GLN 46 HA GLN 46 3.725 8.616 -5.106 335 HB2 GLN 46 2HB GLN 46 3.220 5.961 -6.517 336 HB3 GLN 46 3HB GLN 46 2.752 7.554 -7.133 337 HG2 GLN 46 2HG GLN 46 5.261 8.197 -6.799 338 HG3 GLN 46 3HG GLN 46 5.551 6.455 -6.726 339 HE21 GLN 46 1HE2 GLN 46 5.469 5.254 -8.730 340 HE22 GLN 46 2HE2 GLN 46 5.128 6.074 -10.253 341 H TRP 47 H TRP 47 2.201 5.895 -3.561 342 HA TRP 47 HA TRP 47 -0.498 6.760 -3.919 343 HB2 TRP 47 2HB TRP 47 0.129 4.479 -3.167 344 HB3 TRP 47 3HB TRP 47 0.686 5.145 -1.627 345 HD1 TRP 47 HD1 TRP 47 -1.122 4.820 0.160 346 HE1 TRP 47 HE1 TRP 47 -3.703 4.950 0.249 347 HE3 TRP 47 HE3 TRP 47 -2.145 5.888 -4.773 348 HZ2 TRP 47 HZ2 TRP 47 -5.816 5.046 -1.562 349 HZ3 TRP 47 HZ3 TRP 47 -4.445 6.177 -5.512 350 HH2 TRP 47 HH2 TRP 47 -6.352 5.706 -3.955 351 H LEU 48 H LEU 48 1.776 7.134 -1.143 352 HA LEU 48 HA LEU 48 0.232 8.862 0.382 353 HB2 LEU 48 2HB LEU 48 3.096 8.108 0.099 354 HB3 LEU 48 3HB LEU 48 2.886 9.678 0.755 355 HG LEU 48 HG LEU 48 1.575 7.133 1.828 356 HD11 LEU 48 1HD1 LEU 48 3.160 7.388 3.697 357 HD12 LEU 48 2HD1 LEU 48 4.018 7.225 2.154 358 HD13 LEU 48 3HD1 LEU 48 3.864 8.825 2.916 359 HD21 LEU 48 3HD2 LEU 48 1.516 10.009 2.837 360 HD22 LEU 48 1HD2 LEU 48 0.131 8.953 2.465 361 HD23 LEU 48 2HD2 LEU 48 1.131 8.611 3.868 362 H ILE 49 H ILE 49 2.322 9.638 -2.421 363 HA ILE 49 HA ILE 49 2.095 12.451 -2.280 364 HB ILE 49 HB ILE 49 2.513 10.566 -4.598 365 HG12 ILE 49 2HG1 ILE 49 4.232 10.442 -2.801 366 HG13 ILE 49 3HG1 ILE 49 4.805 10.912 -4.389 367 HG21 ILE 49 1HG2 ILE 49 2.770 13.568 -4.494 368 HG22 ILE 49 2HG2 ILE 49 3.521 12.542 -5.747 369 HG23 ILE 49 3HG2 ILE 49 1.761 12.591 -5.576 370 HD11 ILE 49 3HD1 ILE 49 4.207 12.837 -2.133 371 HD12 ILE 49 1HD1 ILE 49 5.819 12.243 -2.588 372 HD13 ILE 49 2HD1 ILE 49 4.897 13.246 -3.726 373 H THR 50 H THR 50 -0.100 9.974 -3.705 374 HA THR 50 HA THR 50 -1.817 12.096 -4.816 375 HB THR 50 HB THR 50 -3.143 10.139 -5.671 376 HG1 THR 50 1HG THR 50 -0.895 8.616 -4.889 377 HG21 THR 50 1HG2 THR 50 -1.456 9.455 -7.362 378 HG22 THR 50 2HG2 THR 50 -1.476 11.212 -7.108 379 HG23 THR 50 3HG2 THR 50 -0.179 10.226 -6.401 380 H ASN 51 H ASN 51 -2.624 9.162 -2.828 381 HA ASN 51 HA ASN 51 -4.679 10.804 -1.400 382 HB2 ASN 51 2HB ASN 51 -4.255 7.834 -1.859 383 HB3 ASN 51 3HB ASN 51 -5.210 8.398 -0.508 384 HD21 ASN 51 1HD2 ASN 51 -4.956 8.807 -4.050 385 HD22 ASN 51 2HD2 ASN 51 -6.688 8.932 -4.328 386 H LYS 52 H LYS 52 -3.693 11.704 0.471 387 HA LYS 52 HA LYS 52 -1.530 10.255 1.742 388 HB2 LYS 52 2HB LYS 52 -2.059 12.856 1.774 389 HB3 LYS 52 3HB LYS 52 -3.023 12.432 3.201 390 HG2 LYS 52 2HG LYS 52 -0.784 11.021 3.783 391 HG3 LYS 52 3HG LYS 52 -0.044 12.202 2.711 392 HD2 LYS 52 2HD LYS 52 -1.663 12.834 5.223 393 HD3 LYS 52 3HD LYS 52 0.103 12.751 5.118 394 HE2 LYS 52 2HE LYS 52 -0.079 14.541 3.266 395 HE3 LYS 52 3HE LYS 52 -1.751 14.769 3.811 396 HZ1 LYS 52 3HZ LYS 52 0.681 15.071 5.464 397 HZ2 LYS 52 1HZ LYS 52 -0.272 16.294 4.918 398 HZ3 LYS 52 2HZ LYS 52 -0.856 15.229 6.029 399 H LYS 53 H LYS 53 -3.999 8.589 1.568 400 HA LYS 53 HA LYS 53 -4.587 8.148 4.424 401 HB2 LYS 53 2HB LYS 53 -6.739 8.409 2.246 402 HB3 LYS 53 3HB LYS 53 -6.973 7.840 3.876 403 HG2 LYS 53 2HG LYS 53 -7.276 9.875 4.608 404 HG3 LYS 53 3HG LYS 53 -5.604 10.261 4.254 405 HD2 LYS 53 2HD LYS 53 -6.513 11.918 2.988 406 HD3 LYS 53 3HD LYS 53 -6.675 10.638 1.773 407 HE2 LYS 53 2HE LYS 53 -8.859 11.619 1.976 408 HE3 LYS 53 3HE LYS 53 -8.924 10.084 2.879 409 HZ1 LYS 53 3HZ LYS 53 -8.505 12.766 4.078 410 HZ2 LYS 53 1HZ LYS 53 -9.892 11.865 4.189 411 HZ3 LYS 53 2HZ LYS 53 -8.498 11.397 4.914 412 H CYS 54 H CYS 54 -5.865 6.120 4.596 413 HA CYS 54 HA CYS 54 -4.259 3.980 3.270 414 HB2 CYS 54 2HB CYS 54 -5.082 3.972 5.626 415 HB3 CYS 54 3HB CYS 54 -6.740 3.923 4.991 416 HA PRO 55 HA PRO 55 -7.209 3.895 -0.134 417 HB2 PRO 55 2HB PRO 55 -6.489 1.603 -1.378 418 HB3 PRO 55 3HB PRO 55 -5.403 2.980 -1.387 419 HG2 PRO 55 2HG PRO 55 -5.303 0.616 0.449 420 HG3 PRO 55 3HG PRO 55 -3.983 1.393 -0.495 421 HD2 PRO 55 2HD PRO 55 -4.456 1.952 2.141 422 HD3 PRO 55 3HD PRO 55 -3.804 3.157 1.032 423 H ILE 56 H ILE 56 -6.744 1.206 2.172 424 HA ILE 56 HA ILE 56 -9.319 -0.012 1.444 425 HB ILE 56 HB ILE 56 -7.128 -0.779 3.384 426 HG12 ILE 56 2HG1 ILE 56 -8.068 -2.589 1.201 427 HG13 ILE 56 3HG1 ILE 56 -7.360 -1.086 0.611 428 HG21 ILE 56 1HG2 ILE 56 -9.817 -2.123 2.835 429 HG22 ILE 56 2HG2 ILE 56 -8.445 -2.932 3.617 430 HG23 ILE 56 3HG2 ILE 56 -9.217 -1.545 4.402 431 HD11 ILE 56 3HD1 ILE 56 -5.658 -2.839 0.872 432 HD12 ILE 56 1HD1 ILE 56 -5.348 -1.450 1.949 433 HD13 ILE 56 2HD1 ILE 56 -6.040 -2.959 2.597 434 H CYS 57 H CYS 57 -7.820 0.997 4.585 435 HA CYS 57 HA CYS 57 -10.436 1.192 5.857 436 HB2 CYS 57 2HB CYS 57 -9.118 2.034 7.751 437 HB3 CYS 57 3HB CYS 57 -8.695 0.456 7.208 438 H ARG 58 H ARG 58 -8.697 3.402 3.811 439 HA ARG 58 HA ARG 58 -9.267 5.457 3.053 440 HB2 ARG 58 2HB ARG 58 -11.540 3.971 3.168 441 HB3 ARG 58 3HB ARG 58 -12.035 5.342 4.152 442 HG2 ARG 58 2HG ARG 58 -10.932 5.418 1.299 443 HG3 ARG 58 3HG ARG 58 -12.622 5.608 1.774 444 HD2 ARG 58 2HD ARG 58 -12.016 7.666 3.042 445 HD3 ARG 58 3HD ARG 58 -10.356 7.532 2.455 446 HE ARG 58 HE ARG 58 -12.758 8.332 0.995 447 HH11 ARG 58 2HH2 ARG 58 -9.385 7.322 0.609 448 HH12 ARG 58 1HH2 ARG 58 -9.093 8.208 -0.848 449 HH21 ARG 58 2HH1 ARG 58 -12.469 9.399 -1.027 450 HH22 ARG 58 1HH1 ARG 58 -10.949 9.326 -1.844 451 H VAL 59 H VAL 59 -8.113 5.322 5.824 452 HA VAL 59 HA VAL 59 -9.019 8.058 6.562 453 HB VAL 59 HB VAL 59 -8.813 7.653 8.769 454 HG11 VAL 59 1HG1 VAL 59 -10.312 5.821 9.264 455 HG12 VAL 59 2HG1 VAL 59 -10.734 6.436 7.643 456 HG13 VAL 59 3HG1 VAL 59 -9.755 4.953 7.816 457 HG21 VAL 59 3HG2 VAL 59 -7.286 5.096 8.217 458 HG22 VAL 59 1HG2 VAL 59 -6.717 6.593 9.011 459 HG23 VAL 59 2HG2 VAL 59 -7.902 5.564 9.823 460 H ASP 60 H ASP 60 -7.400 9.461 7.379 461 HA ASP 60 HA ASP 60 -4.888 9.164 6.098 462 HB2 ASP 60 2HB ASP 60 -5.550 11.085 8.381 463 HB3 ASP 60 3HB ASP 60 -4.386 11.260 7.104 464 H ILE 61 H ILE 61 -3.303 7.901 6.868 465 HA ILE 61 HA ILE 61 -3.432 6.277 8.942 466 HB ILE 61 HB ILE 61 -0.852 7.469 7.907 467 HG12 ILE 61 2HG1 ILE 61 -1.346 5.075 6.574 468 HG13 ILE 61 3HG1 ILE 61 -2.954 5.761 6.648 469 HG21 ILE 61 1HG2 ILE 61 -0.110 5.068 8.397 470 HG22 ILE 61 2HG2 ILE 61 -0.404 6.124 9.799 471 HG23 ILE 61 3HG2 ILE 61 -1.614 4.918 9.335 472 HD11 ILE 61 3HD1 ILE 61 -1.863 6.515 4.612 473 HD12 ILE 61 1HD1 ILE 61 -1.928 7.919 5.703 474 HD13 ILE 61 2HD1 ILE 61 -0.418 7.022 5.519 475 H GLU 62 H GLU 62 -2.548 9.581 9.157 476 HA GLU 62 HA GLU 62 -2.025 11.021 10.840 477 HB2 GLU 62 2HB GLU 62 -4.291 9.499 11.649 478 HB3 GLU 62 3HB GLU 62 -3.328 9.807 13.097 479 HG2 GLU 62 2HG GLU 62 -3.189 12.214 12.492 480 HG3 GLU 62 3HG GLU 62 -4.145 11.900 11.039 481 H ALA 63 H ALA 63 0.121 10.451 10.522 482 HA ALA 63 HA ALA 63 1.375 9.433 13.022 483 HB1 ALA 63 1HB ALA 63 1.379 7.561 11.407 484 HB2 ALA 63 2HB ALA 63 2.208 8.588 10.211 485 HB3 ALA 63 3HB ALA 63 3.023 8.135 11.725 486 H GLN 64 H GLN 64 3.888 9.877 12.778 487 HA GLN 64 HA GLN 64 4.135 12.672 12.908 488 HB2 GLN 64 2HB GLN 64 5.551 10.823 13.989 489 HB3 GLN 64 3HB GLN 64 6.432 10.724 12.457 490 HG2 GLN 64 2HG GLN 64 7.103 13.088 12.675 491 HG3 GLN 64 3HG GLN 64 6.103 13.262 14.127 492 HE21 GLN 64 1HE2 GLN 64 6.717 11.933 16.096 493 HE22 GLN 64 2HE2 GLN 64 8.416 11.505 16.243 494 H LEU 65 H LEU 65 4.624 14.226 11.419 495 HA LEU 65 HA LEU 65 4.078 13.603 8.719 496 HB2 LEU 65 2HB LEU 65 5.209 16.094 10.047 497 HB3 LEU 65 3HB LEU 65 4.745 16.037 8.348 498 HG LEU 65 HG LEU 65 2.627 14.977 10.131 499 HD11 LEU 65 1HD1 LEU 65 3.410 17.906 10.391 500 HD12 LEU 65 2HD1 LEU 65 1.934 17.151 11.034 501 HD13 LEU 65 3HD1 LEU 65 3.515 16.674 11.668 502 HD21 LEU 65 3HD2 LEU 65 1.211 16.412 8.761 503 HD22 LEU 65 1HD2 LEU 65 2.637 17.223 8.076 504 HD23 LEU 65 2HD2 LEU 65 2.334 15.504 7.724 505 HA PRO 66 HA PRO 66 8.211 12.501 7.476 506 HB2 PRO 66 2HB PRO 66 7.875 12.288 4.771 507 HB3 PRO 66 3HB PRO 66 7.099 11.144 5.912 508 HG2 PRO 66 2HG PRO 66 5.876 13.624 4.652 509 HG3 PRO 66 3HG PRO 66 5.199 11.961 4.694 510 HD2 PRO 66 2HD PRO 66 4.484 13.868 6.516 511 HD3 PRO 66 3HD PRO 66 4.657 12.146 6.990 512 H SER 67 H SER 67 9.930 13.296 5.985 513 HA SER 67 HA SER 67 9.757 16.136 5.224 514 HB2 SER 67 2HB SER 67 10.213 16.090 7.681 515 HB3 SER 67 3HB SER 67 11.680 15.147 7.376 516 HG SER 67 HG SER 67 12.509 16.905 6.221 517 H GLU 68 H GLU 68 11.952 13.254 5.759 518 HA GLU 68 HA GLU 68 12.980 13.633 3.037 519 HB2 GLU 68 2HB GLU 68 15.282 13.185 3.970 520 HB3 GLU 68 3HB GLU 68 14.619 14.784 4.319 521 HG2 GLU 68 2HG GLU 68 13.995 14.056 6.608 522 HG3 GLU 68 3HG GLU 68 14.653 12.447 6.281 523 H SER 69 H SER 69 13.624 11.642 2.093 524 HA SER 69 HA SER 69 13.690 9.138 3.455 525 HB2 SER 69 2HB SER 69 11.303 9.887 1.699 526 HB3 SER 69 3HB SER 69 11.826 8.211 1.950 527 HG SER 69 HG SER 69 11.577 9.687 4.261 Start of MODEL 26 1 H1 MET 1 H1 MET 1 7.688 -9.406 12.550 2 H2 MET 1 H2 MET 1 6.586 -8.820 11.466 3 H3 MET 1 H3 MET 1 6.952 -10.426 11.491 4 HA MET 1 HA MET 1 8.031 -9.464 9.646 5 HB2 MET 1 2HB MET 1 9.893 -7.773 10.160 6 HB3 MET 1 3HB MET 1 8.236 -7.168 10.197 7 HG2 MET 1 2HG MET 1 8.166 -7.190 12.598 8 HG3 MET 1 3HG MET 1 9.709 -8.028 12.720 9 HE1 MET 1 3HE MET 1 12.387 -5.434 12.187 10 HE2 MET 1 1HE MET 1 11.938 -7.105 12.587 11 HE3 MET 1 2HE MET 1 11.823 -6.531 10.907 12 H LYS 2 H LYS 2 8.856 -11.441 9.303 13 HA LYS 2 HA LYS 2 11.467 -12.071 9.989 14 HB2 LYS 2 2HB LYS 2 10.461 -12.466 12.293 15 HB3 LYS 2 3HB LYS 2 9.314 -13.561 11.549 16 HG2 LYS 2 2HG LYS 2 11.738 -14.648 10.708 17 HG3 LYS 2 3HG LYS 2 12.244 -13.878 12.194 18 HD2 LYS 2 2HD LYS 2 10.944 -15.252 13.529 19 HD3 LYS 2 3HD LYS 2 9.696 -15.485 12.290 20 HE2 LYS 2 2HE LYS 2 11.019 -16.968 11.010 21 HE3 LYS 2 3HE LYS 2 12.485 -16.629 11.952 22 HZ1 LYS 2 3HZ LYS 2 11.538 -17.822 13.796 23 HZ2 LYS 2 1HZ LYS 2 10.060 -17.929 13.045 24 HZ3 LYS 2 2HZ LYS 2 11.234 -18.760 12.450 25 H GLN 3 H GLN 3 9.912 -14.994 10.033 26 HA GLN 3 HA GLN 3 8.651 -15.151 7.471 27 HB2 GLN 3 2HB GLN 3 10.397 -16.943 6.747 28 HB3 GLN 3 3HB GLN 3 10.755 -15.248 6.425 29 HG2 GLN 3 2HG GLN 3 12.376 -15.097 8.121 30 HG3 GLN 3 3HG GLN 3 11.787 -16.518 8.979 31 HE21 GLN 3 1HE2 GLN 3 12.868 -18.441 8.660 32 HE22 GLN 3 2HE2 GLN 3 13.991 -18.679 7.329 33 H ASP 4 H ASP 4 6.998 -15.976 8.899 34 HA ASP 4 HA ASP 4 6.943 -18.706 9.363 35 HB2 ASP 4 2HB ASP 4 8.283 -17.236 11.546 36 HB3 ASP 4 3HB ASP 4 6.787 -17.942 12.117 37 H GLY 5 H GLY 5 4.970 -19.176 10.925 38 HA2 GLY 5 2HA GLY 5 3.212 -16.879 11.385 39 HA3 GLY 5 3HA GLY 5 2.605 -18.068 10.214 40 H GLU 6 H GLU 6 3.208 -17.406 13.595 41 HA GLU 6 HA GLU 6 2.695 -20.087 14.520 42 HB2 GLU 6 2HB GLU 6 3.031 -17.355 15.769 43 HB3 GLU 6 3HB GLU 6 2.329 -18.650 16.740 44 HG2 GLU 6 2HG GLU 6 4.963 -19.045 15.283 45 HG3 GLU 6 3HG GLU 6 4.877 -18.264 16.865 46 H GLU 7 H GLU 7 0.790 -17.208 15.566 47 HA GLU 7 HA GLU 7 -1.655 -18.544 14.570 48 HB2 GLU 7 2HB GLU 7 -1.017 -19.460 16.819 49 HB3 GLU 7 3HB GLU 7 -1.242 -17.845 17.504 50 HG2 GLU 7 2HG GLU 7 -3.608 -17.863 16.845 51 HG3 GLU 7 3HG GLU 7 -3.368 -19.335 15.898 52 H GLY 8 H GLY 8 -1.562 -16.695 13.127 53 HA2 GLY 8 2HA GLY 8 -2.576 -14.724 12.475 54 HA3 GLY 8 3HA GLY 8 -3.279 -14.589 14.099 55 H THR 9 H THR 9 -2.851 -12.400 14.202 56 HA THR 9 HA THR 9 -0.805 -11.409 15.536 57 HB THR 9 HB THR 9 0.839 -11.880 13.854 58 HG1 THR 9 1HG THR 9 0.289 -9.191 14.433 59 HG21 THR 9 1HG2 THR 9 -0.731 -9.980 12.096 60 HG22 THR 9 2HG2 THR 9 0.840 -10.710 11.711 61 HG23 THR 9 3HG2 THR 9 -0.600 -11.738 11.874 62 H GLU 10 H GLU 10 -3.279 -10.770 13.182 63 HA GLU 10 HA GLU 10 -4.843 -9.161 13.036 64 HB2 GLU 10 2HB GLU 10 -4.733 -9.679 15.652 65 HB3 GLU 10 3HB GLU 10 -4.162 -8.016 15.728 66 HG2 GLU 10 2HG GLU 10 -6.447 -7.684 15.905 67 HG3 GLU 10 3HG GLU 10 -6.278 -7.559 14.150 68 H GLU 11 H GLU 11 -2.209 -8.612 11.993 69 HA GLU 11 HA GLU 11 -2.453 -5.754 11.610 70 HB2 GLU 11 2HB GLU 11 -0.754 -6.186 13.535 71 HB3 GLU 11 3HB GLU 11 0.268 -6.941 12.309 72 HG2 GLU 11 2HG GLU 11 0.114 -4.691 11.032 73 HG3 GLU 11 3HG GLU 11 -0.655 -4.037 12.470 74 H ASP 12 H ASP 12 -0.853 -5.265 9.575 75 HA ASP 12 HA ASP 12 -0.159 -5.728 7.512 76 HB2 ASP 12 2HB ASP 12 1.571 -6.703 9.053 77 HB3 ASP 12 3HB ASP 12 0.901 -8.304 8.719 78 H THR 13 H THR 13 -2.453 -5.879 6.929 79 HA THR 13 HA THR 13 -3.190 -8.534 5.863 80 HB THR 13 HB THR 13 -4.763 -6.668 6.862 81 HG1 THR 13 1HG THR 13 -5.423 -8.688 6.127 82 HG21 THR 13 1HG2 THR 13 -4.067 -5.053 4.966 83 HG22 THR 13 2HG2 THR 13 -5.117 -6.052 3.939 84 HG23 THR 13 3HG2 THR 13 -5.818 -5.227 5.336 85 H GLU 14 H GLU 14 -0.934 -8.408 4.921 86 HA GLU 14 HA GLU 14 -0.671 -6.853 2.506 87 HB2 GLU 14 2HB GLU 14 1.119 -8.343 1.850 88 HB3 GLU 14 3HB GLU 14 1.300 -7.895 3.549 89 HG2 GLU 14 2HG GLU 14 0.364 -10.118 4.206 90 HG3 GLU 14 3HG GLU 14 0.341 -10.573 2.491 91 H GLU 15 H GLU 15 -1.707 -7.184 0.520 92 HA GLU 15 HA GLU 15 -2.635 -9.798 -0.203 93 HB2 GLU 15 2HB GLU 15 -4.348 -8.438 1.417 94 HB3 GLU 15 3HB GLU 15 -4.839 -7.724 -0.103 95 HG2 GLU 15 2HG GLU 15 -4.607 -10.738 0.037 96 HG3 GLU 15 3HG GLU 15 -5.882 -9.992 0.991 97 H LYS 16 H LYS 16 -4.214 -9.135 -2.307 98 HA LYS 16 HA LYS 16 -2.808 -8.264 -4.429 99 HB2 LYS 16 2HB LYS 16 -4.966 -9.260 -4.602 100 HB3 LYS 16 3HB LYS 16 -5.721 -8.033 -3.606 101 HG2 LYS 16 2HG LYS 16 -4.536 -7.037 -6.161 102 HG3 LYS 16 3HG LYS 16 -5.927 -8.125 -6.304 103 HD2 LYS 16 2HD LYS 16 -7.236 -6.719 -4.753 104 HD3 LYS 16 3HD LYS 16 -5.871 -5.601 -4.601 105 HE2 LYS 16 2HE LYS 16 -5.943 -5.277 -7.098 106 HE3 LYS 16 3HE LYS 16 -7.440 -6.238 -7.124 107 HZ1 LYS 16 3HZ LYS 16 -8.378 -4.599 -5.569 108 HZ2 LYS 16 1HZ LYS 16 -7.007 -3.719 -5.646 109 HZ3 LYS 16 2HZ LYS 16 -7.934 -3.892 -6.992 110 H CYS 17 H CYS 17 -1.856 -6.329 -5.145 111 HA CYS 17 HA CYS 17 -1.935 -4.038 -3.486 112 HB2 CYS 17 2HB CYS 17 -0.090 -4.815 -5.072 113 HB3 CYS 17 3HB CYS 17 -1.057 -4.077 -6.350 114 H THR 18 H THR 18 -3.059 -2.168 -3.847 115 HA THR 18 HA THR 18 -5.197 -2.282 -5.947 116 HB THR 18 HB THR 18 -5.757 -2.667 -3.417 117 HG1 THR 18 1HG THR 18 -7.452 -1.087 -5.004 118 HG21 THR 18 1HG2 THR 18 -6.743 -0.648 -2.451 119 HG22 THR 18 2HG2 THR 18 -4.997 -0.417 -2.720 120 HG23 THR 18 3HG2 THR 18 -6.176 0.311 -3.838 121 H ILE 19 H ILE 19 -2.577 -0.425 -4.632 122 HA ILE 19 HA ILE 19 -3.340 1.974 -6.061 123 HB ILE 19 HB ILE 19 -0.741 0.845 -4.921 124 HG12 ILE 19 2HG1 ILE 19 -1.260 3.074 -3.491 125 HG13 ILE 19 3HG1 ILE 19 -2.913 2.731 -3.927 126 HG21 ILE 19 1HG2 ILE 19 0.225 3.040 -5.241 127 HG22 ILE 19 2HG2 ILE 19 -0.208 2.304 -6.785 128 HG23 ILE 19 3HG2 ILE 19 -1.246 3.585 -6.095 129 HD11 ILE 19 3HD1 ILE 19 -1.111 0.586 -2.749 130 HD12 ILE 19 1HD1 ILE 19 -1.860 1.817 -1.728 131 HD13 ILE 19 2HD1 ILE 19 -2.893 0.721 -2.673 132 H CYS 20 H CYS 20 -1.554 -1.071 -6.684 133 HA CYS 20 HA CYS 20 -1.014 -0.286 -9.528 134 HB2 CYS 20 2HB CYS 20 -0.547 -2.888 -8.132 135 HB3 CYS 20 3HB CYS 20 0.024 -2.402 -9.720 136 H LEU 21 H LEU 21 -3.871 -0.820 -8.165 137 HA LEU 21 HA LEU 21 -5.675 -2.194 -8.423 138 HB2 LEU 21 2HB LEU 21 -5.065 -0.754 -10.876 139 HB3 LEU 21 3HB LEU 21 -6.196 -2.084 -11.064 140 HG LEU 21 HG LEU 21 -7.278 -1.083 -8.860 141 HD11 LEU 21 1HD1 LEU 21 -7.269 1.366 -8.900 142 HD12 LEU 21 2HD1 LEU 21 -5.601 0.783 -8.741 143 HD13 LEU 21 3HD1 LEU 21 -6.180 1.374 -10.306 144 HD21 LEU 21 3HD2 LEU 21 -7.740 -0.024 -11.678 145 HD22 LEU 21 1HD2 LEU 21 -8.442 -1.500 -10.979 146 HD23 LEU 21 2HD2 LEU 21 -8.892 0.085 -10.325 147 H SER 22 H SER 22 -3.505 -3.975 -8.168 148 HA SER 22 HA SER 22 -4.514 -6.310 -9.568 149 HB2 SER 22 2HB SER 22 -3.212 -5.012 -11.364 150 HB3 SER 22 3HB SER 22 -1.751 -5.358 -10.414 151 HG SER 22 HG SER 22 -2.199 -6.933 -12.038 152 H ILE 23 H ILE 23 -3.097 -8.264 -9.117 153 HA ILE 23 HA ILE 23 -2.451 -8.421 -6.414 154 HB ILE 23 HB ILE 23 -1.448 -10.590 -6.990 155 HG12 ILE 23 2HG1 ILE 23 -2.331 -11.390 -9.331 156 HG13 ILE 23 3HG1 ILE 23 -2.053 -9.741 -9.852 157 HG21 ILE 23 1HG2 ILE 23 -4.245 -10.021 -8.007 158 HG22 ILE 23 2HG2 ILE 23 -3.594 -11.592 -7.481 159 HG23 ILE 23 3HG2 ILE 23 -3.762 -10.282 -6.311 160 HD11 ILE 23 3HD1 ILE 23 0.278 -9.884 -9.099 161 HD12 ILE 23 1HD1 ILE 23 -0.017 -11.537 -8.499 162 HD13 ILE 23 2HD1 ILE 23 -0.097 -11.190 -10.244 163 H LEU 24 H LEU 24 -0.486 -8.686 -5.271 164 HA LEU 24 HA LEU 24 1.657 -6.983 -6.076 165 HB2 LEU 24 2HB LEU 24 1.048 -8.951 -3.847 166 HB3 LEU 24 3HB LEU 24 2.720 -8.543 -4.142 167 HG LEU 24 HG LEU 24 0.526 -6.552 -3.554 168 HD11 LEU 24 1HD1 LEU 24 1.145 -7.929 -1.582 169 HD12 LEU 24 2HD1 LEU 24 2.859 -7.521 -1.831 170 HD13 LEU 24 3HD1 LEU 24 1.690 -6.260 -1.379 171 HD21 LEU 24 3HD2 LEU 24 2.142 -5.402 -4.847 172 HD22 LEU 24 1HD2 LEU 24 2.553 -5.011 -3.182 173 HD23 LEU 24 2HD2 LEU 24 3.504 -6.231 -4.054 174 H GLU 25 H GLU 25 3.875 -7.775 -6.232 175 HA GLU 25 HA GLU 25 4.161 -10.371 -7.560 176 HB2 GLU 25 2HB GLU 25 5.380 -9.354 -9.455 177 HB3 GLU 25 3HB GLU 25 3.654 -8.943 -9.432 178 HG2 GLU 25 2HG GLU 25 4.133 -6.767 -8.446 179 HG3 GLU 25 3HG GLU 25 5.844 -7.175 -8.287 180 H GLU 26 H GLU 26 6.345 -11.119 -7.507 181 HA GLU 26 HA GLU 26 8.037 -10.100 -5.416 182 HB2 GLU 26 2HB GLU 26 8.257 -12.292 -7.516 183 HB3 GLU 26 3HB GLU 26 9.511 -11.990 -6.309 184 HG2 GLU 26 2HG GLU 26 6.723 -12.332 -5.244 185 HG3 GLU 26 3HG GLU 26 7.452 -13.752 -5.990 186 H GLY 27 H GLY 27 8.068 -7.902 -6.533 187 HA2 GLY 27 2HA GLY 27 9.791 -7.769 -8.964 188 HA3 GLY 27 3HA GLY 27 8.766 -6.475 -8.323 189 H GLU 28 H GLU 28 9.446 -5.817 -5.895 190 HA GLU 28 HA GLU 28 12.302 -6.019 -5.422 191 HB2 GLU 28 2HB GLU 28 11.374 -3.859 -6.803 192 HB3 GLU 28 3HB GLU 28 11.013 -3.326 -5.169 193 HG2 GLU 28 2HG GLU 28 13.509 -4.199 -4.709 194 HG3 GLU 28 3HG GLU 28 13.667 -4.037 -6.453 195 H ASP 29 H ASP 29 12.156 -4.089 -3.344 196 HA ASP 29 HA ASP 29 11.036 -5.817 -1.289 197 HB2 ASP 29 2HB ASP 29 12.973 -3.666 -1.385 198 HB3 ASP 29 3HB ASP 29 11.734 -3.244 -0.203 199 H VAL 30 H VAL 30 9.190 -5.511 -0.088 200 HA VAL 30 HA VAL 30 7.351 -3.423 -1.038 201 HB VAL 30 HB VAL 30 5.688 -4.661 0.247 202 HG11 VAL 30 1HG1 VAL 30 5.202 -5.351 -1.761 203 HG12 VAL 30 2HG1 VAL 30 6.910 -5.212 -2.270 204 HG13 VAL 30 3HG1 VAL 30 6.315 -6.730 -1.583 205 HG21 VAL 30 3HG2 VAL 30 7.295 -5.855 1.725 206 HG22 VAL 30 1HG2 VAL 30 6.093 -6.912 0.944 207 HG23 VAL 30 2HG2 VAL 30 7.759 -6.862 0.327 208 H ARG 31 H ARG 31 5.797 -2.671 0.891 209 HA ARG 31 HA ARG 31 7.298 -2.274 3.328 210 HB2 ARG 31 2HB ARG 31 7.672 -0.370 1.380 211 HB3 ARG 31 3HB ARG 31 6.330 0.309 2.267 212 HG2 ARG 31 2HG ARG 31 8.338 1.202 3.207 213 HG3 ARG 31 3HG ARG 31 7.784 -0.007 4.385 214 HD2 ARG 31 2HD ARG 31 9.377 -1.644 3.493 215 HD3 ARG 31 3HD ARG 31 9.784 -0.570 2.152 216 HE ARG 31 HE ARG 31 10.278 0.596 4.762 217 HH11 ARG 31 2HH2 ARG 31 11.687 -1.188 2.056 218 HH12 ARG 31 1HH2 ARG 31 13.277 -1.268 2.688 219 HH21 ARG 31 2HH1 ARG 31 12.479 0.801 5.493 220 HH22 ARG 31 1HH1 ARG 31 13.758 0.044 4.610 221 H ARG 32 H ARG 32 6.006 -1.597 5.118 222 HA ARG 32 HA ARG 32 3.120 -1.893 4.655 223 HB2 ARG 32 2HB ARG 32 4.941 -2.082 7.032 224 HB3 ARG 32 3HB ARG 32 3.277 -1.509 7.319 225 HG2 ARG 32 2HG ARG 32 2.293 -3.394 6.309 226 HG3 ARG 32 3HG ARG 32 3.821 -3.918 5.581 227 HD2 ARG 32 2HD ARG 32 3.372 -3.848 8.574 228 HD3 ARG 32 3HD ARG 32 2.915 -5.196 7.561 229 HE ARG 32 HE ARG 32 5.063 -5.749 7.057 230 HH11 ARG 32 2HH2 ARG 32 4.912 -3.307 9.571 231 HH12 ARG 32 1HH2 ARG 32 6.612 -3.157 9.828 232 HH21 ARG 32 2HH1 ARG 32 7.412 -5.529 7.282 233 HH22 ARG 32 1HH1 ARG 32 8.074 -4.518 8.523 234 H LEU 33 H LEU 33 1.628 -0.277 5.114 235 HA LEU 33 HA LEU 33 2.768 2.457 5.084 236 HB2 LEU 33 2HB LEU 33 -0.154 2.004 5.603 237 HB3 LEU 33 3HB LEU 33 0.680 3.309 4.787 238 HG LEU 33 HG LEU 33 1.222 1.335 3.087 239 HD11 LEU 33 1HD1 LEU 33 -0.841 0.204 4.714 240 HD12 LEU 33 2HD1 LEU 33 -1.600 0.632 3.184 241 HD13 LEU 33 3HD1 LEU 33 -0.182 -0.443 3.214 242 HD21 LEU 33 3HD2 LEU 33 -1.266 3.064 3.070 243 HD22 LEU 33 1HD2 LEU 33 0.357 3.531 2.514 244 HD23 LEU 33 2HD2 LEU 33 -0.535 2.274 1.650 245 HA PRO 34 HA PRO 34 2.882 2.577 9.507 246 HB2 PRO 34 2HB PRO 34 1.696 5.203 9.850 247 HB3 PRO 34 3HB PRO 34 3.400 4.711 9.973 248 HG2 PRO 34 2HG PRO 34 2.151 6.201 7.836 249 HG3 PRO 34 3HG PRO 34 3.846 5.676 7.958 250 HD2 PRO 34 2HD PRO 34 1.753 4.603 6.269 251 HD3 PRO 34 3HD PRO 34 3.475 4.137 6.340 252 H CYS 35 H CYS 35 -0.082 2.819 7.824 253 HA CYS 35 HA CYS 35 -2.146 2.952 9.784 254 HB2 CYS 35 2HB CYS 35 -2.449 3.120 7.372 255 HB3 CYS 35 3HB CYS 35 -1.933 1.430 7.211 256 H MET 36 H MET 36 -0.403 0.075 8.503 257 HA MET 36 HA MET 36 -0.402 -1.845 10.301 258 HB2 MET 36 2HB MET 36 -2.516 -1.531 11.318 259 HB3 MET 36 3HB MET 36 -3.341 -1.256 9.765 260 HG2 MET 36 2HG MET 36 -3.090 -3.605 9.183 261 HG3 MET 36 3HG MET 36 -2.137 -3.887 10.639 262 HE1 MET 36 3HE MET 36 -4.613 -3.907 13.496 263 HE2 MET 36 1HE MET 36 -2.948 -3.619 12.962 264 HE3 MET 36 2HE MET 36 -4.116 -2.276 12.988 265 H HIS 37 H HIS 37 -2.398 -1.220 7.390 266 HA HIS 37 HA HIS 37 -2.072 -3.783 6.281 267 HB2 HIS 37 1HB HIS 37 -2.914 -1.126 5.046 268 HB3 HIS 37 2HB HIS 37 -3.325 -2.721 4.446 269 HD2 HIS 37 2HD HIS 37 -4.296 -4.268 6.904 270 HE1 HIS 37 1HE HIS 37 -6.970 -1.165 7.923 271 HE2 HIS 37 2HE HIS 37 -6.464 -3.651 8.176 272 H LEU 38 H LEU 38 -1.054 -4.234 3.977 273 HA LEU 38 HA LEU 38 1.577 -2.843 3.875 274 HB2 LEU 38 2HB LEU 38 1.775 -5.002 4.786 275 HB3 LEU 38 3HB LEU 38 0.888 -5.738 3.459 276 HG LEU 38 HG LEU 38 3.444 -4.247 2.961 277 HD11 LEU 38 1HD1 LEU 38 3.885 -5.924 4.820 278 HD12 LEU 38 2HD1 LEU 38 3.392 -7.193 3.731 279 HD13 LEU 38 3HD1 LEU 38 4.807 -6.209 3.326 280 HD21 LEU 38 3HD2 LEU 38 3.575 -5.403 0.955 281 HD22 LEU 38 1HD2 LEU 38 2.803 -6.849 1.598 282 HD23 LEU 38 2HD2 LEU 38 1.809 -5.480 1.136 283 H PHE 39 H PHE 39 2.572 -2.713 1.767 284 HA PHE 39 HA PHE 39 1.127 -3.529 -0.622 285 HB2 PHE 39 2HB PHE 39 1.415 -0.593 0.106 286 HB3 PHE 39 3HB PHE 39 1.336 -1.078 -1.569 287 HD1 PHE 39 1HD PHE 39 -0.611 -2.944 -2.046 288 HD2 PHE 39 2HD PHE 39 -0.636 0.020 1.055 289 HE1 PHE 39 1HE PHE 39 -3.108 -3.108 -1.900 290 HE2 PHE 39 2HE PHE 39 -3.092 -0.181 1.237 291 HZ PHE 39 HZ PHE 39 -4.342 -1.661 -0.377 292 H HIS 40 H HIS 40 2.540 -2.340 -2.606 293 HA HIS 40 HA HIS 40 5.302 -3.264 -2.329 294 HB2 HIS 40 1HB HIS 40 3.927 -1.419 -4.286 295 HB3 HIS 40 2HB HIS 40 5.636 -1.728 -4.362 296 HD2 HIS 40 2HD HIS 40 6.319 -4.412 -4.878 297 HE1 HIS 40 1HE HIS 40 3.095 -4.601 -7.655 298 HE2 HIS 40 2HE HIS 40 5.317 -5.653 -6.951 299 H GLN 41 H GLN 41 7.150 -1.919 -1.952 300 HA GLN 41 HA GLN 41 6.772 0.409 -0.389 301 HB2 GLN 41 2HB GLN 41 8.857 -1.056 -0.385 302 HB3 GLN 41 3HB GLN 41 9.212 -0.486 -2.013 303 HG2 GLN 41 2HG GLN 41 9.320 1.881 -1.103 304 HG3 GLN 41 3HG GLN 41 9.132 1.208 0.520 305 HE21 GLN 41 1HE2 GLN 41 11.341 1.722 -2.172 306 HE22 GLN 41 2HE2 GLN 41 12.690 0.872 -1.455 307 H VAL 42 H VAL 42 7.894 -0.038 -3.743 308 HA VAL 42 HA VAL 42 8.064 2.724 -4.294 309 HB VAL 42 HB VAL 42 8.676 0.426 -5.607 310 HG11 VAL 42 1HG1 VAL 42 7.657 0.367 -7.796 311 HG12 VAL 42 2HG1 VAL 42 6.409 0.132 -6.561 312 HG13 VAL 42 3HG1 VAL 42 6.573 1.705 -7.386 313 HG21 VAL 42 3HG2 VAL 42 9.861 2.562 -5.776 314 HG22 VAL 42 1HG2 VAL 42 9.564 1.899 -7.390 315 HG23 VAL 42 2HG2 VAL 42 8.556 3.233 -6.778 316 H CYS 43 H CYS 43 5.274 0.748 -3.978 317 HA CYS 43 HA CYS 43 3.424 2.601 -5.498 318 HB2 CYS 43 2HB CYS 43 2.987 0.297 -3.609 319 HB3 CYS 43 3HB CYS 43 1.742 1.348 -4.212 320 H VAL 44 H VAL 44 4.424 1.869 -2.038 321 HA VAL 44 HA VAL 44 2.382 3.444 -0.931 322 HB VAL 44 HB VAL 44 4.308 1.717 -0.043 323 HG11 VAL 44 1HG1 VAL 44 6.081 3.431 -0.060 324 HG12 VAL 44 2HG1 VAL 44 5.160 4.381 1.128 325 HG13 VAL 44 3HG1 VAL 44 5.765 2.763 1.545 326 HG21 VAL 44 3HG2 VAL 44 2.164 2.142 0.985 327 HG22 VAL 44 1HG2 VAL 44 3.457 2.178 2.203 328 HG23 VAL 44 2HG2 VAL 44 2.747 3.706 1.620 329 H ASP 45 H ASP 45 5.378 4.160 -2.384 330 HA ASP 45 HA ASP 45 5.690 6.941 -1.493 331 HB2 ASP 45 2HB ASP 45 7.688 5.789 -2.224 332 HB3 ASP 45 3HB ASP 45 6.929 5.273 -3.726 333 H GLN 46 H GLN 46 5.150 5.787 -4.888 334 HA GLN 46 HA GLN 46 4.199 8.272 -5.747 335 HB2 GLN 46 2HB GLN 46 3.649 5.488 -6.846 336 HB3 GLN 46 3HB GLN 46 3.128 6.979 -7.632 337 HG2 GLN 46 2HG GLN 46 5.788 7.558 -7.111 338 HG3 GLN 46 3HG GLN 46 5.866 5.817 -7.365 339 HE21 GLN 46 1HE2 GLN 46 7.036 6.018 -9.383 340 HE22 GLN 46 2HE2 GLN 46 6.249 6.719 -10.797 341 H TRP 47 H TRP 47 2.473 5.868 -3.953 342 HA TRP 47 HA TRP 47 -0.130 6.894 -4.415 343 HB2 TRP 47 2HB TRP 47 0.406 4.613 -3.603 344 HB3 TRP 47 3HB TRP 47 1.053 5.285 -2.104 345 HD1 TRP 47 HD1 TRP 47 -0.594 4.576 -0.320 346 HE1 TRP 47 HE1 TRP 47 -3.134 4.844 0.026 347 HE3 TRP 47 HE3 TRP 47 -1.968 6.342 -4.943 348 HZ2 TRP 47 HZ2 TRP 47 -5.401 5.253 -1.532 349 HZ3 TRP 47 HZ3 TRP 47 -4.316 6.901 -5.389 350 HH2 TRP 47 HH2 TRP 47 -6.099 6.293 -3.746 351 H LEU 48 H LEU 48 2.183 7.292 -1.662 352 HA LEU 48 HA LEU 48 0.737 9.225 -0.228 353 HB2 LEU 48 2HB LEU 48 3.533 8.192 -0.381 354 HB3 LEU 48 3HB LEU 48 3.361 9.739 0.350 355 HG LEU 48 HG LEU 48 1.750 7.283 1.161 356 HD11 LEU 48 1HD1 LEU 48 4.181 8.540 2.499 357 HD12 LEU 48 2HD1 LEU 48 3.242 7.165 3.120 358 HD13 LEU 48 3HD1 LEU 48 4.160 7.000 1.612 359 HD21 LEU 48 3HD2 LEU 48 2.105 9.974 2.563 360 HD22 LEU 48 1HD2 LEU 48 0.599 9.391 1.838 361 HD23 LEU 48 2HD2 LEU 48 1.269 8.566 3.246 362 H ILE 49 H ILE 49 2.552 9.688 -3.229 363 HA ILE 49 HA ILE 49 2.886 12.464 -3.082 364 HB ILE 49 HB ILE 49 2.267 10.617 -5.377 365 HG12 ILE 49 2HG1 ILE 49 4.380 10.177 -4.134 366 HG13 ILE 49 3HG1 ILE 49 4.559 10.552 -5.841 367 HG21 ILE 49 1HG2 ILE 49 3.253 12.356 -6.860 368 HG22 ILE 49 2HG2 ILE 49 1.640 12.711 -6.235 369 HG23 ILE 49 3HG2 ILE 49 3.052 13.514 -5.514 370 HD11 ILE 49 3HD1 ILE 49 6.241 11.673 -4.429 371 HD12 ILE 49 1HD1 ILE 49 5.233 12.817 -5.340 372 HD13 ILE 49 2HD1 ILE 49 4.935 12.551 -3.602 373 H THR 50 H THR 50 -0.212 10.687 -3.297 374 HA THR 50 HA THR 50 -1.572 13.308 -3.499 375 HB THR 50 HB THR 50 -1.331 11.167 -5.469 376 HG1 THR 50 1HG THR 50 -1.008 13.449 -5.651 377 HG21 THR 50 1HG2 THR 50 -4.118 12.011 -4.667 378 HG22 THR 50 2HG2 THR 50 -3.679 11.223 -6.208 379 HG23 THR 50 3HG2 THR 50 -3.407 10.361 -4.678 380 H ASN 51 H ASN 51 -2.052 9.761 -2.790 381 HA ASN 51 HA ASN 51 -4.352 10.105 -1.261 382 HB2 ASN 51 2HB ASN 51 -4.107 7.917 -0.908 383 HB3 ASN 51 3HB ASN 51 -2.616 7.992 -1.837 384 HD21 ASN 51 1HD2 ASN 51 -0.630 7.648 -0.703 385 HD22 ASN 51 2HD2 ASN 51 -0.578 7.370 1.032 386 H LYS 52 H LYS 52 -4.772 10.453 0.876 387 HA LYS 52 HA LYS 52 -2.493 10.814 2.733 388 HB2 LYS 52 2HB LYS 52 -4.844 12.710 2.416 389 HB3 LYS 52 3HB LYS 52 -4.006 12.537 3.965 390 HG2 LYS 52 2HG LYS 52 -1.855 13.078 2.923 391 HG3 LYS 52 3HG LYS 52 -2.626 13.306 1.351 392 HD2 LYS 52 2HD LYS 52 -3.858 14.864 3.583 393 HD3 LYS 52 3HD LYS 52 -2.182 15.278 3.243 394 HE2 LYS 52 2HE LYS 52 -3.792 16.686 1.991 395 HE3 LYS 52 3HE LYS 52 -2.642 15.825 0.959 396 HZ1 LYS 52 3HZ LYS 52 -5.403 14.928 1.464 397 HZ2 LYS 52 1HZ LYS 52 -4.911 15.753 0.125 398 HZ3 LYS 52 2HZ LYS 52 -4.319 14.250 0.412 399 H LYS 53 H LYS 53 -4.853 8.718 1.924 400 HA LYS 53 HA LYS 53 -5.480 8.024 4.653 401 HB2 LYS 53 2HB LYS 53 -7.635 8.467 2.508 402 HB3 LYS 53 3HB LYS 53 -7.858 7.711 4.085 403 HG2 LYS 53 2HG LYS 53 -6.824 9.933 5.016 404 HG3 LYS 53 3HG LYS 53 -7.274 10.629 3.462 405 HD2 LYS 53 2HD LYS 53 -9.192 9.050 5.214 406 HD3 LYS 53 3HD LYS 53 -8.957 10.783 5.426 407 HE2 LYS 53 2HE LYS 53 -9.666 9.658 2.726 408 HE3 LYS 53 3HE LYS 53 -10.915 9.973 3.950 409 HZ1 LYS 53 3HZ LYS 53 -10.569 11.909 2.536 410 HZ2 LYS 53 1HZ LYS 53 -10.162 12.232 4.102 411 HZ3 LYS 53 2HZ LYS 53 -8.981 11.986 3.001 412 H CYS 54 H CYS 54 -6.293 5.910 4.752 413 HA CYS 54 HA CYS 54 -4.522 4.145 3.273 414 HB2 CYS 54 2HB CYS 54 -5.450 3.864 5.593 415 HB3 CYS 54 3HB CYS 54 -7.010 3.487 4.848 416 HA PRO 55 HA PRO 55 -7.250 3.563 -0.259 417 HB2 PRO 55 2HB PRO 55 -5.966 1.591 -1.572 418 HB3 PRO 55 3HB PRO 55 -5.190 3.165 -1.393 419 HG2 PRO 55 2HG PRO 55 -4.833 0.736 0.328 420 HG3 PRO 55 3HG PRO 55 -3.549 1.731 -0.438 421 HD2 PRO 55 2HD PRO 55 -4.325 2.078 2.141 422 HD3 PRO 55 3HD PRO 55 -3.813 3.445 1.159 423 H ILE 56 H ILE 56 -6.577 1.305 2.313 424 HA ILE 56 HA ILE 56 -8.712 -0.558 1.471 425 HB ILE 56 HB ILE 56 -6.569 -0.762 3.593 426 HG12 ILE 56 2HG1 ILE 56 -7.232 -2.569 1.231 427 HG13 ILE 56 3HG1 ILE 56 -6.191 -1.160 1.026 428 HG21 ILE 56 1HG2 ILE 56 -7.576 -3.035 4.013 429 HG22 ILE 56 2HG2 ILE 56 -8.672 -1.745 4.488 430 HG23 ILE 56 3HG2 ILE 56 -8.933 -2.600 2.957 431 HD11 ILE 56 3HD1 ILE 56 -4.613 -1.950 2.634 432 HD12 ILE 56 1HD1 ILE 56 -5.647 -3.335 3.064 433 HD13 ILE 56 2HD1 ILE 56 -4.921 -3.243 1.450 434 H CYS 57 H CYS 57 -7.671 0.743 4.659 435 HA CYS 57 HA CYS 57 -10.381 0.667 5.654 436 HB2 CYS 57 2HB CYS 57 -9.321 1.584 7.683 437 HB3 CYS 57 3HB CYS 57 -8.663 0.068 7.111 438 H ARG 58 H ARG 58 -8.860 3.104 3.769 439 HA ARG 58 HA ARG 58 -9.572 5.116 3.100 440 HB2 ARG 58 2HB ARG 58 -11.742 3.498 3.224 441 HB3 ARG 58 3HB ARG 58 -12.300 4.795 4.274 442 HG2 ARG 58 2HG ARG 58 -11.298 5.051 1.399 443 HG3 ARG 58 3HG ARG 58 -12.984 5.082 1.926 444 HD2 ARG 58 2HD ARG 58 -12.441 7.108 3.327 445 HD3 ARG 58 3HD ARG 58 -10.853 7.166 2.550 446 HE ARG 58 HE ARG 58 -13.425 7.970 1.507 447 HH11 ARG 58 2HH2 ARG 58 -10.286 6.733 0.469 448 HH12 ARG 58 1HH2 ARG 58 -10.375 7.371 -1.133 449 HH21 ARG 58 2HH1 ARG 58 -13.585 8.832 -0.637 450 HH22 ARG 58 1HH1 ARG 58 -12.309 8.600 -1.771 451 H VAL 59 H VAL 59 -8.451 4.924 5.939 452 HA VAL 59 HA VAL 59 -9.541 7.544 6.870 453 HB VAL 59 HB VAL 59 -9.236 6.981 9.047 454 HG11 VAL 59 1HG1 VAL 59 -10.638 5.056 9.396 455 HG12 VAL 59 2HG1 VAL 59 -11.116 5.777 7.837 456 HG13 VAL 59 3HG1 VAL 59 -10.072 4.332 7.875 457 HG21 VAL 59 3HG2 VAL 59 -7.580 4.583 8.216 458 HG22 VAL 59 1HG2 VAL 59 -7.076 6.016 9.153 459 HG23 VAL 59 2HG2 VAL 59 -8.187 4.843 9.869 460 H ASP 60 H ASP 60 -7.942 8.999 7.938 461 HA ASP 60 HA ASP 60 -5.542 8.968 6.415 462 HB2 ASP 60 2HB ASP 60 -6.020 10.550 8.986 463 HB3 ASP 60 3HB ASP 60 -5.014 10.962 7.619 464 H ILE 61 H ILE 61 -3.780 7.827 6.829 465 HA ILE 61 HA ILE 61 -3.471 5.957 8.683 466 HB ILE 61 HB ILE 61 -1.269 7.648 7.470 467 HG12 ILE 61 2HG1 ILE 61 -1.586 5.233 6.061 468 HG13 ILE 61 3HG1 ILE 61 -3.240 5.706 6.373 469 HG21 ILE 61 1HG2 ILE 61 -0.344 6.307 9.197 470 HG22 ILE 61 2HG2 ILE 61 -1.388 4.942 8.783 471 HG23 ILE 61 3HG2 ILE 61 -0.051 5.409 7.694 472 HD11 ILE 61 3HD1 ILE 61 -2.562 6.677 4.272 473 HD12 ILE 61 1HD1 ILE 61 -2.613 8.016 5.442 474 HD13 ILE 61 2HD1 ILE 61 -1.057 7.309 4.983 475 H GLU 62 H GLU 62 -2.686 9.359 9.088 476 HA GLU 62 HA GLU 62 -3.415 9.617 11.594 477 HB2 GLU 62 2HB GLU 62 -0.643 8.538 11.640 478 HB3 GLU 62 3HB GLU 62 -0.743 10.106 12.408 479 HG2 GLU 62 2HG GLU 62 -2.940 9.028 13.542 480 HG3 GLU 62 3HG GLU 62 -2.049 7.538 13.240 481 H ALA 63 H ALA 63 -1.966 11.789 12.522 482 HA ALA 63 HA ALA 63 -1.622 13.547 10.149 483 HB1 ALA 63 1HB ALA 63 -3.800 14.023 11.288 484 HB2 ALA 63 2HB ALA 63 -2.915 14.351 12.794 485 HB3 ALA 63 3HB ALA 63 -2.679 15.386 11.361 486 H GLN 64 H GLN 64 -0.693 15.744 11.739 487 HA GLN 64 HA GLN 64 1.364 16.547 12.336 488 HB2 GLN 64 2HB GLN 64 0.999 14.390 14.453 489 HB3 GLN 64 3HB GLN 64 2.149 15.724 14.534 490 HG2 GLN 64 2HG GLN 64 -0.353 16.939 13.960 491 HG3 GLN 64 3HG GLN 64 -0.705 15.695 15.163 492 HE21 GLN 64 1HE2 GLN 64 -0.525 18.822 15.258 493 HE22 GLN 64 2HE2 GLN 64 0.551 19.063 16.629 494 H LEU 65 H LEU 65 1.917 15.215 10.153 495 HA LEU 65 HA LEU 65 3.929 13.133 10.634 496 HB2 LEU 65 2HB LEU 65 3.095 14.592 8.091 497 HB3 LEU 65 3HB LEU 65 4.216 13.235 8.171 498 HG LEU 65 HG LEU 65 1.841 12.449 9.604 499 HD11 LEU 65 1HD1 LEU 65 0.666 14.239 8.342 500 HD12 LEU 65 2HD1 LEU 65 1.253 13.535 6.817 501 HD13 LEU 65 3HD1 LEU 65 0.136 12.620 7.854 502 HD21 LEU 65 3HD2 LEU 65 1.729 10.706 7.890 503 HD22 LEU 65 1HD2 LEU 65 2.871 11.606 6.868 504 HD23 LEU 65 2HD2 LEU 65 3.397 10.942 8.435 505 HA PRO 66 HA PRO 66 6.911 16.556 10.984 506 HB2 PRO 66 2HB PRO 66 8.976 15.247 12.140 507 HB3 PRO 66 3HB PRO 66 7.444 15.499 13.029 508 HG2 PRO 66 2HG PRO 66 8.292 13.014 11.492 509 HG3 PRO 66 3HG PRO 66 7.683 13.117 13.175 510 HD2 PRO 66 2HD PRO 66 6.053 12.554 11.034 511 HD3 PRO 66 3HD PRO 66 5.488 13.475 12.460 512 H SER 67 H SER 67 6.673 16.379 8.558 513 HA SER 67 HA SER 67 7.643 16.323 6.488 514 HB2 SER 67 2HB SER 67 9.188 17.794 7.718 515 HB3 SER 67 3HB SER 67 10.193 16.400 8.145 516 HG SER 67 HG SER 67 10.528 16.034 5.942 517 H GLU 68 H GLU 68 6.701 13.973 6.660 518 HA GLU 68 HA GLU 68 8.411 11.710 6.682 519 HB2 GLU 68 2HB GLU 68 5.725 12.452 5.579 520 HB3 GLU 68 3HB GLU 68 6.515 11.124 4.741 521 HG2 GLU 68 2HG GLU 68 6.148 11.159 7.759 522 HG3 GLU 68 3HG GLU 68 4.963 10.492 6.628 523 H SER 69 H SER 69 9.991 11.012 5.277 524 HA SER 69 HA SER 69 9.944 11.356 2.532 525 HB2 SER 69 2HB SER 69 11.750 12.923 2.112 526 HB3 SER 69 3HB SER 69 10.465 13.767 2.988 527 HG SER 69 HG SER 69 12.785 12.620 4.110 Start of MODEL 27 1 H1 MET 1 H1 MET 1 9.339 -23.008 11.104 2 H2 MET 1 H2 MET 1 10.376 -22.989 12.366 3 H3 MET 1 H3 MET 1 9.903 -21.593 11.655 4 HA MET 1 HA MET 1 12.150 -22.104 11.004 5 HB2 MET 1 2HB MET 1 10.888 -24.700 10.093 6 HB3 MET 1 3HB MET 1 12.375 -24.073 9.360 7 HG2 MET 1 2HG MET 1 13.506 -24.033 11.507 8 HG3 MET 1 3HG MET 1 12.039 -24.582 12.332 9 HE1 MET 1 3HE MET 1 14.946 -26.004 12.628 10 HE2 MET 1 1HE MET 1 13.457 -26.432 13.506 11 HE3 MET 1 2HE MET 1 14.384 -27.690 12.660 12 H LYS 2 H LYS 2 9.710 -23.332 8.556 13 HA LYS 2 HA LYS 2 9.778 -20.692 7.333 14 HB2 LYS 2 2HB LYS 2 10.131 -21.502 5.109 15 HB3 LYS 2 3HB LYS 2 11.538 -21.917 6.071 16 HG2 LYS 2 2HG LYS 2 9.313 -23.929 5.457 17 HG3 LYS 2 3HG LYS 2 10.654 -23.621 4.370 18 HD2 LYS 2 2HD LYS 2 12.274 -24.277 6.114 19 HD3 LYS 2 3HD LYS 2 10.925 -24.669 7.210 20 HE2 LYS 2 2HE LYS 2 10.058 -26.318 5.617 21 HE3 LYS 2 3HE LYS 2 11.315 -25.892 4.447 22 HZ1 LYS 2 3HZ LYS 2 11.870 -27.883 5.662 23 HZ2 LYS 2 1HZ LYS 2 12.963 -26.705 5.997 24 HZ3 LYS 2 2HZ LYS 2 11.802 -27.095 7.102 25 H GLN 3 H GLN 3 7.813 -20.368 6.119 26 HA GLN 3 HA GLN 3 5.565 -20.316 6.215 27 HB2 GLN 3 2HB GLN 3 5.987 -23.163 5.248 28 HB3 GLN 3 3HB GLN 3 4.462 -22.278 5.130 29 HG2 GLN 3 2HG GLN 3 7.058 -21.314 3.843 30 HG3 GLN 3 3HG GLN 3 5.879 -22.341 3.030 31 HE21 GLN 3 1HE2 GLN 3 5.126 -20.883 1.414 32 HE22 GLN 3 2HE2 GLN 3 4.337 -19.380 1.868 33 H ASP 4 H ASP 4 5.363 -19.948 8.438 34 HA ASP 4 HA ASP 4 4.503 -22.181 10.134 35 HB2 ASP 4 2HB ASP 4 7.077 -21.957 9.900 36 HB3 ASP 4 3HB ASP 4 6.919 -20.395 10.700 37 H GLY 5 H GLY 5 3.359 -21.288 11.986 38 HA2 GLY 5 2HA GLY 5 2.742 -19.120 13.180 39 HA3 GLY 5 3HA GLY 5 2.558 -18.415 11.571 40 H GLU 6 H GLU 6 1.021 -20.410 14.019 41 HA GLU 6 HA GLU 6 -1.053 -21.352 12.281 42 HB2 GLU 6 2HB GLU 6 -0.080 -22.346 14.515 43 HB3 GLU 6 3HB GLU 6 -1.273 -21.293 15.293 44 HG2 GLU 6 2HG GLU 6 -3.057 -22.368 13.863 45 HG3 GLU 6 3HG GLU 6 -1.821 -23.420 13.167 46 H GLU 7 H GLU 7 -0.547 -18.383 14.075 47 HA GLU 7 HA GLU 7 -3.270 -17.521 13.406 48 HB2 GLU 7 2HB GLU 7 -3.744 -16.650 15.570 49 HB3 GLU 7 3HB GLU 7 -3.247 -18.310 15.782 50 HG2 GLU 7 2HG GLU 7 -2.012 -17.437 17.459 51 HG3 GLU 7 3HG GLU 7 -0.826 -17.224 16.178 52 H GLY 8 H GLY 8 -3.332 -15.046 13.766 53 HA2 GLY 8 2HA GLY 8 -1.016 -13.515 13.823 54 HA3 GLY 8 3HA GLY 8 -1.419 -13.747 12.103 55 H THR 9 H THR 9 -2.966 -12.881 15.271 56 HA THR 9 HA THR 9 -5.241 -11.638 13.969 57 HB THR 9 HB THR 9 -5.771 -10.882 16.238 58 HG1 THR 9 1HG THR 9 -3.544 -10.702 16.921 59 HG21 THR 9 1HG2 THR 9 -6.112 -13.100 17.225 60 HG22 THR 9 2HG2 THR 9 -6.437 -13.152 15.477 61 HG23 THR 9 3HG2 THR 9 -4.915 -13.806 16.128 62 H GLU 10 H GLU 10 -4.102 -10.158 12.427 63 HA GLU 10 HA GLU 10 -3.313 -7.641 13.779 64 HB2 GLU 10 2HB GLU 10 -1.397 -9.343 12.957 65 HB3 GLU 10 3HB GLU 10 -1.778 -8.653 11.381 66 HG2 GLU 10 2HG GLU 10 0.064 -7.426 12.362 67 HG3 GLU 10 3HG GLU 10 -1.346 -6.366 12.330 68 H GLU 11 H GLU 11 -3.315 -5.802 12.258 69 HA GLU 11 HA GLU 11 -5.687 -5.858 10.556 70 HB2 GLU 11 2HB GLU 11 -5.131 -4.080 12.237 71 HB3 GLU 11 3HB GLU 11 -3.689 -3.726 11.312 72 HG2 GLU 11 2HG GLU 11 -5.309 -2.017 10.879 73 HG3 GLU 11 3HG GLU 11 -5.050 -2.924 9.412 74 H ASP 12 H ASP 12 -2.272 -6.138 10.132 75 HA ASP 12 HA ASP 12 -1.777 -4.999 7.647 76 HB2 ASP 12 2HB ASP 12 -0.528 -7.453 8.941 77 HB3 ASP 12 3HB ASP 12 0.093 -6.662 7.488 78 H THR 13 H THR 13 -3.652 -5.417 6.381 79 HA THR 13 HA THR 13 -4.311 -7.990 5.332 80 HB THR 13 HB THR 13 -5.817 -6.033 5.453 81 HG1 THR 13 1HG THR 13 -5.441 -7.145 2.880 82 HG21 THR 13 1HG2 THR 13 -3.924 -4.510 4.324 83 HG22 THR 13 2HG2 THR 13 -4.759 -4.983 2.844 84 HG23 THR 13 3HG2 THR 13 -5.676 -4.178 4.109 85 H GLU 14 H GLU 14 -1.644 -8.175 5.051 86 HA GLU 14 HA GLU 14 -0.651 -6.860 2.741 87 HB2 GLU 14 2HB GLU 14 1.316 -8.354 3.000 88 HB3 GLU 14 3HB GLU 14 0.851 -7.535 4.496 89 HG2 GLU 14 2HG GLU 14 -0.189 -9.632 5.321 90 HG3 GLU 14 3HG GLU 14 0.392 -10.472 3.874 91 H GLU 15 H GLU 15 -1.581 -7.245 0.724 92 HA GLU 15 HA GLU 15 -1.846 -9.953 -0.263 93 HB2 GLU 15 2HB GLU 15 -3.880 -9.109 1.352 94 HB3 GLU 15 3HB GLU 15 -4.406 -8.412 -0.175 95 HG2 GLU 15 2HG GLU 15 -3.811 -10.859 -1.105 96 HG3 GLU 15 3HG GLU 15 -3.918 -11.314 0.592 97 H LYS 16 H LYS 16 -3.812 -9.236 -2.138 98 HA LYS 16 HA LYS 16 -2.410 -8.355 -4.334 99 HB2 LYS 16 2HB LYS 16 -4.506 -9.501 -4.512 100 HB3 LYS 16 3HB LYS 16 -5.365 -8.294 -3.564 101 HG2 LYS 16 2HG LYS 16 -4.119 -7.361 -6.115 102 HG3 LYS 16 3HG LYS 16 -5.503 -8.447 -6.253 103 HD2 LYS 16 2HD LYS 16 -6.925 -6.941 -4.982 104 HD3 LYS 16 3HD LYS 16 -5.553 -5.916 -4.566 105 HE2 LYS 16 2HE LYS 16 -6.613 -4.769 -6.325 106 HE3 LYS 16 3HE LYS 16 -5.166 -5.507 -7.010 107 HZ1 LYS 16 3HZ LYS 16 -7.932 -6.494 -7.295 108 HZ2 LYS 16 1HZ LYS 16 -6.986 -5.832 -8.475 109 HZ3 LYS 16 2HZ LYS 16 -6.599 -7.295 -7.848 110 H CYS 17 H CYS 17 -1.712 -6.340 -5.137 111 HA CYS 17 HA CYS 17 -1.780 -4.096 -3.403 112 HB2 CYS 17 2HB CYS 17 -0.054 -4.857 -5.241 113 HB3 CYS 17 3HB CYS 17 -1.152 -3.957 -6.300 114 H THR 18 H THR 18 -3.137 -2.369 -3.499 115 HA THR 18 HA THR 18 -5.478 -2.576 -5.320 116 HB THR 18 HB THR 18 -6.431 -0.848 -3.824 117 HG1 THR 18 1HG THR 18 -4.795 0.126 -2.845 118 HG21 THR 18 1HG2 THR 18 -6.880 -3.267 -3.451 119 HG22 THR 18 2HG2 THR 18 -5.447 -3.373 -2.404 120 HG23 THR 18 3HG2 THR 18 -6.833 -2.375 -1.917 121 H ILE 19 H ILE 19 -2.649 -0.594 -4.565 122 HA ILE 19 HA ILE 19 -3.517 1.701 -6.054 123 HB ILE 19 HB ILE 19 -0.861 0.722 -4.917 124 HG12 ILE 19 2HG1 ILE 19 -1.597 3.076 -3.670 125 HG13 ILE 19 3HG1 ILE 19 -3.171 2.377 -3.934 126 HG21 ILE 19 1HG2 ILE 19 0.002 2.989 -5.337 127 HG22 ILE 19 2HG2 ILE 19 -0.348 2.103 -6.827 128 HG23 ILE 19 3HG2 ILE 19 -1.477 3.365 -6.268 129 HD11 ILE 19 3HD1 ILE 19 -2.154 1.793 -1.742 130 HD12 ILE 19 1HD1 ILE 19 -2.469 0.344 -2.721 131 HD13 ILE 19 2HD1 ILE 19 -0.815 0.984 -2.573 132 H CYS 20 H CYS 20 -1.694 -1.270 -6.695 133 HA CYS 20 HA CYS 20 -1.264 -0.492 -9.561 134 HB2 CYS 20 2HB CYS 20 -0.551 -3.054 -8.201 135 HB3 CYS 20 3HB CYS 20 -0.042 -2.483 -9.780 136 H LEU 21 H LEU 21 -3.970 -1.193 -8.028 137 HA LEU 21 HA LEU 21 -5.700 -2.604 -8.086 138 HB2 LEU 21 2HB LEU 21 -5.393 -1.423 -10.753 139 HB3 LEU 21 3HB LEU 21 -6.570 -2.723 -10.576 140 HG LEU 21 HG LEU 21 -7.244 -1.407 -8.382 141 HD11 LEU 21 1HD1 LEU 21 -5.526 0.372 -8.781 142 HD12 LEU 21 2HD1 LEU 21 -6.370 0.819 -10.276 143 HD13 LEU 21 3HD1 LEU 21 -7.180 1.004 -8.700 144 HD21 LEU 21 3HD2 LEU 21 -8.760 -2.036 -10.195 145 HD22 LEU 21 1HD2 LEU 21 -9.060 -0.361 -9.698 146 HD23 LEU 21 2HD2 LEU 21 -8.159 -0.694 -11.197 147 H SER 22 H SER 22 -3.272 -4.187 -8.224 148 HA SER 22 HA SER 22 -4.356 -6.678 -9.393 149 HB2 SER 22 2HB SER 22 -3.286 -5.384 -11.285 150 HB3 SER 22 3HB SER 22 -1.733 -5.551 -10.434 151 HG SER 22 HG SER 22 -2.074 -7.240 -11.932 152 H ILE 23 H ILE 23 -2.591 -8.488 -9.180 153 HA ILE 23 HA ILE 23 -2.106 -8.712 -6.379 154 HB ILE 23 HB ILE 23 -0.792 -10.775 -7.299 155 HG12 ILE 23 2HG1 ILE 23 -1.072 -9.661 -9.730 156 HG13 ILE 23 3HG1 ILE 23 -0.916 -11.350 -9.392 157 HG21 ILE 23 1HG2 ILE 23 -2.810 -10.859 -5.985 158 HG22 ILE 23 2HG2 ILE 23 -3.806 -10.481 -7.402 159 HG23 ILE 23 3HG2 ILE 23 -2.900 -12.017 -7.309 160 HD11 ILE 23 3HD1 ILE 23 -2.752 -10.890 -10.986 161 HD12 ILE 23 1HD1 ILE 23 -3.256 -11.768 -9.531 162 HD13 ILE 23 2HD1 ILE 23 -3.626 -10.038 -9.692 163 H LEU 24 H LEU 24 -0.089 -8.859 -5.284 164 HA LEU 24 HA LEU 24 1.939 -7.052 -6.184 165 HB2 LEU 24 2HB LEU 24 1.577 -9.076 -3.947 166 HB3 LEU 24 3HB LEU 24 3.166 -8.428 -4.268 167 HG LEU 24 HG LEU 24 0.726 -6.755 -3.686 168 HD11 LEU 24 1HD1 LEU 24 3.095 -7.454 -1.887 169 HD12 LEU 24 2HD1 LEU 24 1.754 -6.362 -1.465 170 HD13 LEU 24 3HD1 LEU 24 1.439 -8.082 -1.711 171 HD21 LEU 24 3HD2 LEU 24 2.287 -5.429 -4.934 172 HD22 LEU 24 1HD2 LEU 24 2.425 -4.947 -3.251 173 HD23 LEU 24 2HD2 LEU 24 3.661 -6.009 -3.958 174 H GLU 25 H GLU 25 4.208 -7.789 -6.301 175 HA GLU 25 HA GLU 25 4.593 -10.329 -7.716 176 HB2 GLU 25 2HB GLU 25 5.776 -9.185 -9.584 177 HB3 GLU 25 3HB GLU 25 4.024 -8.911 -9.568 178 HG2 GLU 25 2HG GLU 25 4.307 -6.731 -8.558 179 HG3 GLU 25 3HG GLU 25 6.042 -7.000 -8.349 180 H GLU 26 H GLU 26 6.817 -11.010 -7.635 181 HA GLU 26 HA GLU 26 8.448 -9.759 -5.608 182 HB2 GLU 26 2HB GLU 26 8.767 -12.184 -7.419 183 HB3 GLU 26 3HB GLU 26 10.003 -11.659 -6.253 184 HG2 GLU 26 2HG GLU 26 8.465 -11.944 -4.391 185 HG3 GLU 26 3HG GLU 26 7.118 -12.283 -5.483 186 H GLY 27 H GLY 27 8.415 -7.698 -6.868 187 HA2 GLY 27 2HA GLY 27 10.144 -7.671 -9.300 188 HA3 GLY 27 3HA GLY 27 9.092 -6.363 -8.735 189 H GLU 28 H GLU 28 9.752 -5.529 -6.373 190 HA GLU 28 HA GLU 28 12.610 -5.680 -5.855 191 HB2 GLU 28 2HB GLU 28 11.763 -3.560 -7.242 192 HB3 GLU 28 3HB GLU 28 11.159 -3.052 -5.670 193 HG2 GLU 28 2HG GLU 28 13.736 -3.992 -5.098 194 HG3 GLU 28 3HG GLU 28 13.946 -3.321 -6.709 195 H ASP 29 H ASP 29 12.243 -3.736 -3.739 196 HA ASP 29 HA ASP 29 11.259 -5.683 -1.788 197 HB2 ASP 29 2HB ASP 29 13.299 -3.942 -1.641 198 HB3 ASP 29 3HB ASP 29 12.046 -2.910 -0.949 199 H VAL 30 H VAL 30 9.715 -4.932 -0.012 200 HA VAL 30 HA VAL 30 7.587 -3.270 -1.173 201 HB VAL 30 HB VAL 30 6.039 -4.762 -0.054 202 HG11 VAL 30 1HG1 VAL 30 7.853 -6.114 -2.055 203 HG12 VAL 30 2HG1 VAL 30 6.125 -6.471 -1.754 204 HG13 VAL 30 3HG1 VAL 30 6.613 -4.896 -2.416 205 HG21 VAL 30 3HG2 VAL 30 8.431 -6.595 0.270 206 HG22 VAL 30 1HG2 VAL 30 7.638 -5.718 1.599 207 HG23 VAL 30 2HG2 VAL 30 6.742 -6.963 0.693 208 H ARG 31 H ARG 31 5.897 -2.744 0.632 209 HA ARG 31 HA ARG 31 7.220 -2.077 3.104 210 HB2 ARG 31 2HB ARG 31 7.864 -0.361 1.128 211 HB3 ARG 31 3HB ARG 31 6.318 0.339 1.622 212 HG2 ARG 31 2HG ARG 31 8.023 1.472 2.809 213 HG3 ARG 31 3HG ARG 31 7.306 0.365 4.002 214 HD2 ARG 31 2HD ARG 31 9.147 -1.225 3.673 215 HD3 ARG 31 3HD ARG 31 9.705 -0.360 2.254 216 HE ARG 31 HE ARG 31 10.652 1.334 3.586 217 HH11 ARG 31 2HH2 ARG 31 8.797 -0.889 5.645 218 HH12 ARG 31 1HH2 ARG 31 8.971 0.168 7.037 219 HH21 ARG 31 2HH1 ARG 31 11.006 2.487 5.455 220 HH22 ARG 31 1HH1 ARG 31 10.297 1.965 6.988 221 H ARG 32 H ARG 32 5.689 -1.343 4.734 222 HA ARG 32 HA ARG 32 2.934 -1.456 3.761 223 HB2 ARG 32 2HB ARG 32 2.341 -2.351 5.946 224 HB3 ARG 32 3HB ARG 32 3.535 -3.382 5.161 225 HG2 ARG 32 2HG ARG 32 5.294 -2.120 6.582 226 HG3 ARG 32 3HG ARG 32 3.913 -1.513 7.515 227 HD2 ARG 32 2HD ARG 32 3.159 -3.844 7.904 228 HD3 ARG 32 3HD ARG 32 4.518 -4.464 6.969 229 HE ARG 32 HE ARG 32 4.489 -3.607 9.692 230 HH11 ARG 32 2HH2 ARG 32 6.582 -3.995 6.891 231 HH12 ARG 32 1HH2 ARG 32 8.081 -3.834 7.745 232 HH21 ARG 32 2HH1 ARG 32 6.485 -3.348 10.884 233 HH22 ARG 32 1HH1 ARG 32 8.014 -3.460 10.088 234 H LEU 33 H LEU 33 1.471 -0.104 4.750 235 HA LEU 33 HA LEU 33 2.473 2.600 5.117 236 HB2 LEU 33 2HB LEU 33 -0.202 1.214 5.571 237 HB3 LEU 33 3HB LEU 33 0.020 2.962 5.748 238 HG LEU 33 HG LEU 33 0.822 1.663 3.205 239 HD11 LEU 33 1HD1 LEU 33 -1.536 1.983 2.365 240 HD12 LEU 33 2HD1 LEU 33 -1.320 0.657 3.528 241 HD13 LEU 33 3HD1 LEU 33 -2.003 2.203 4.070 242 HD21 LEU 33 3HD2 LEU 33 1.204 4.112 3.634 243 HD22 LEU 33 1HD2 LEU 33 0.130 3.818 2.254 244 HD23 LEU 33 2HD2 LEU 33 -0.551 4.318 3.817 245 HA PRO 34 HA PRO 34 3.316 1.972 9.451 246 HB2 PRO 34 2HB PRO 34 2.952 4.551 10.435 247 HB3 PRO 34 3HB PRO 34 4.415 3.942 9.609 248 HG2 PRO 34 2HG PRO 34 2.214 5.645 8.495 249 HG3 PRO 34 3HG PRO 34 3.950 5.664 8.118 250 HD2 PRO 34 2HD PRO 34 1.996 4.460 6.536 251 HD3 PRO 34 3HD PRO 34 3.714 3.985 6.526 252 H CYS 35 H CYS 35 0.308 2.936 8.188 253 HA CYS 35 HA CYS 35 -1.615 2.725 10.286 254 HB2 CYS 35 2HB CYS 35 -2.083 3.266 7.955 255 HB3 CYS 35 3HB CYS 35 -1.547 1.645 7.491 256 H MET 36 H MET 36 -0.300 0.055 8.259 257 HA MET 36 HA MET 36 0.316 -2.012 9.747 258 HB2 MET 36 2HB MET 36 -2.620 -1.465 10.152 259 HB3 MET 36 3HB MET 36 -2.122 -3.111 9.830 260 HG2 MET 36 2HG MET 36 -1.048 -3.383 11.820 261 HG3 MET 36 3HG MET 36 -0.463 -1.734 11.878 262 HE1 MET 36 3HE MET 36 -1.217 -3.187 14.485 263 HE2 MET 36 1HE MET 36 -2.919 -3.142 15.003 264 HE3 MET 36 2HE MET 36 -2.422 -4.218 13.684 265 H HIS 37 H HIS 37 -2.347 -1.178 7.420 266 HA HIS 37 HA HIS 37 -2.228 -3.499 5.909 267 HB2 HIS 37 1HB HIS 37 -2.801 -0.694 4.939 268 HB3 HIS 37 2HB HIS 37 -3.358 -2.162 4.220 269 HD2 HIS 37 2HD HIS 37 -4.752 -3.840 6.158 270 HE1 HIS 37 1HE HIS 37 -6.937 -0.667 7.822 271 HE2 HIS 37 2HE HIS 37 -6.812 -3.144 7.560 272 H LEU 38 H LEU 38 -1.146 -4.071 3.885 273 HA LEU 38 HA LEU 38 1.486 -2.696 3.660 274 HB2 LEU 38 2HB LEU 38 1.697 -4.790 4.745 275 HB3 LEU 38 3HB LEU 38 0.827 -5.608 3.448 276 HG LEU 38 HG LEU 38 3.387 -4.197 2.830 277 HD11 LEU 38 1HD1 LEU 38 3.214 -6.989 4.039 278 HD12 LEU 38 2HD1 LEU 38 4.667 -6.243 3.355 279 HD13 LEU 38 3HD1 LEU 38 3.923 -5.572 4.816 280 HD21 LEU 38 3HD2 LEU 38 3.632 -5.790 1.073 281 HD22 LEU 38 1HD2 LEU 38 2.486 -6.918 1.800 282 HD23 LEU 38 2HD2 LEU 38 1.896 -5.461 1.027 283 H PHE 39 H PHE 39 2.626 -2.739 1.598 284 HA PHE 39 HA PHE 39 1.157 -3.536 -0.784 285 HB2 PHE 39 2HB PHE 39 1.635 -0.612 -0.057 286 HB3 PHE 39 3HB PHE 39 1.415 -1.101 -1.730 287 HD1 PHE 39 2HD PHE 39 -0.563 -2.958 -1.986 288 HD2 PHE 39 1HD PHE 39 -0.377 0.189 0.943 289 HE1 PHE 39 2HE PHE 39 -3.025 -3.131 -1.647 290 HE2 PHE 39 1HE PHE 39 -2.843 0.067 1.213 291 HZ PHE 39 HZ PHE 39 -4.161 -1.572 -0.171 292 H HIS 40 H HIS 40 2.609 -2.297 -2.783 293 HA HIS 40 HA HIS 40 5.317 -3.324 -2.502 294 HB2 HIS 40 1HB HIS 40 4.123 -1.341 -4.471 295 HB3 HIS 40 2HB HIS 40 5.784 -1.818 -4.483 296 HD2 HIS 40 2HD HIS 40 6.397 -4.352 -5.184 297 HE1 HIS 40 1HE HIS 40 3.037 -4.546 -7.797 298 HE2 HIS 40 2HE HIS 40 5.320 -5.555 -7.231 299 H GLN 41 H GLN 41 7.181 -1.967 -2.344 300 HA GLN 41 HA GLN 41 6.952 0.273 -0.560 301 HB2 GLN 41 2HB GLN 41 9.026 -1.166 -0.736 302 HB3 GLN 41 3HB GLN 41 9.150 -0.735 -2.427 303 HG2 GLN 41 2HG GLN 41 9.281 1.766 -1.169 304 HG3 GLN 41 3HG GLN 41 10.140 0.705 -0.053 305 HE21 GLN 41 1HE2 GLN 41 11.617 -1.011 -1.369 306 HE22 GLN 41 2HE2 GLN 41 12.442 -0.412 -2.768 307 H VAL 42 H VAL 42 7.899 0.112 -3.954 308 HA VAL 42 HA VAL 42 7.878 2.901 -4.288 309 HB VAL 42 HB VAL 42 8.523 0.760 -5.820 310 HG11 VAL 42 1HG1 VAL 42 7.334 0.741 -7.918 311 HG12 VAL 42 2HG1 VAL 42 6.211 0.352 -6.606 312 HG13 VAL 42 3HG1 VAL 42 6.197 1.973 -7.349 313 HG21 VAL 42 3HG2 VAL 42 8.116 3.609 -6.806 314 HG22 VAL 42 1HG2 VAL 42 9.538 2.980 -5.941 315 HG23 VAL 42 2HG2 VAL 42 9.165 2.387 -7.569 316 H CYS 43 H CYS 43 5.196 0.784 -4.008 317 HA CYS 43 HA CYS 43 3.183 2.594 -5.348 318 HB2 CYS 43 2HB CYS 43 2.980 0.171 -3.574 319 HB3 CYS 43 3HB CYS 43 1.635 1.183 -4.016 320 H VAL 44 H VAL 44 4.299 1.749 -1.951 321 HA VAL 44 HA VAL 44 2.214 3.172 -0.733 322 HB VAL 44 HB VAL 44 4.216 1.489 0.052 323 HG11 VAL 44 1HG1 VAL 44 5.024 4.155 1.267 324 HG12 VAL 44 2HG1 VAL 44 5.650 2.558 1.689 325 HG13 VAL 44 3HG1 VAL 44 5.953 3.214 0.074 326 HG21 VAL 44 3HG2 VAL 44 2.639 3.378 1.812 327 HG22 VAL 44 1HG2 VAL 44 2.068 1.831 1.125 328 HG23 VAL 44 2HG2 VAL 44 3.377 1.838 2.325 329 H ASP 45 H ASP 45 5.183 4.098 -2.172 330 HA ASP 45 HA ASP 45 5.371 6.776 -0.991 331 HB2 ASP 45 2HB ASP 45 7.391 5.719 -1.907 332 HB3 ASP 45 3HB ASP 45 6.650 5.587 -3.501 333 H GLN 46 H GLN 46 4.795 5.985 -4.485 334 HA GLN 46 HA GLN 46 3.788 8.522 -5.065 335 HB2 GLN 46 2HB GLN 46 2.839 7.524 -7.110 336 HB3 GLN 46 3HB GLN 46 4.483 6.950 -6.796 337 HG2 GLN 46 2HG GLN 46 3.600 4.836 -5.890 338 HG3 GLN 46 3HG GLN 46 1.946 5.405 -6.095 339 HE21 GLN 46 1HE2 GLN 46 1.477 3.543 -7.463 340 HE22 GLN 46 2HE2 GLN 46 2.076 3.550 -9.116 341 H TRP 47 H TRP 47 2.160 5.822 -3.560 342 HA TRP 47 HA TRP 47 -0.505 6.786 -3.873 343 HB2 TRP 47 2HB TRP 47 0.109 4.453 -3.240 344 HB3 TRP 47 3HB TRP 47 0.670 5.033 -1.669 345 HD1 TRP 47 HD1 TRP 47 -1.117 4.509 0.089 346 HE1 TRP 47 HE1 TRP 47 -3.720 4.545 0.178 347 HE3 TRP 47 HE3 TRP 47 -2.197 5.969 -4.727 348 HZ2 TRP 47 HZ2 TRP 47 -5.815 4.816 -1.540 349 HZ3 TRP 47 HZ3 TRP 47 -4.506 6.280 -5.421 350 HH2 TRP 47 HH2 TRP 47 -6.399 5.623 -3.889 351 H LEU 48 H LEU 48 1.735 6.933 -1.046 352 HA LEU 48 HA LEU 48 0.284 8.642 0.540 353 HB2 LEU 48 2HB LEU 48 3.155 7.883 0.162 354 HB3 LEU 48 3HB LEU 48 2.913 9.337 1.031 355 HG LEU 48 HG LEU 48 1.622 6.663 1.735 356 HD11 LEU 48 1HD1 LEU 48 3.932 8.181 3.022 357 HD12 LEU 48 2HD1 LEU 48 3.237 6.650 3.603 358 HD13 LEU 48 3HD1 LEU 48 4.071 6.707 2.043 359 HD21 LEU 48 3HD2 LEU 48 1.187 7.829 3.960 360 HD22 LEU 48 1HD2 LEU 48 1.595 9.361 3.161 361 HD23 LEU 48 2HD2 LEU 48 0.192 8.405 2.627 362 H ILE 49 H ILE 49 2.345 9.554 -2.265 363 HA ILE 49 HA ILE 49 2.184 12.349 -1.875 364 HB ILE 49 HB ILE 49 2.347 10.689 -4.390 365 HG12 ILE 49 2HG1 ILE 49 4.201 10.268 -2.837 366 HG13 ILE 49 3HG1 ILE 49 4.672 11.003 -4.347 367 HG21 ILE 49 1HG2 ILE 49 3.331 12.755 -5.395 368 HG22 ILE 49 2HG2 ILE 49 1.595 12.838 -5.062 369 HG23 ILE 49 3HG2 ILE 49 2.733 13.653 -3.974 370 HD11 ILE 49 3HD1 ILE 49 4.310 12.456 -1.716 371 HD12 ILE 49 1HD1 ILE 49 5.858 11.986 -2.452 372 HD13 ILE 49 2HD1 ILE 49 4.830 13.194 -3.254 373 H THR 50 H THR 50 -0.115 10.040 -3.561 374 HA THR 50 HA THR 50 -1.825 12.236 -4.364 375 HB THR 50 HB THR 50 -1.198 9.425 -5.073 376 HG1 THR 50 1HG THR 50 -1.214 10.313 -6.981 377 HG21 THR 50 1HG2 THR 50 -3.335 9.137 -6.313 378 HG22 THR 50 2HG2 THR 50 -3.353 8.825 -4.580 379 HG23 THR 50 3HG2 THR 50 -4.051 10.353 -5.217 380 H ASN 51 H ASN 51 -2.514 9.094 -2.670 381 HA ASN 51 HA ASN 51 -4.621 10.505 -1.110 382 HB2 ASN 51 2HB ASN 51 -4.310 7.770 -2.200 383 HB3 ASN 51 3HB ASN 51 -4.787 7.797 -0.507 384 HD21 ASN 51 1HD2 ASN 51 -5.962 8.149 -3.716 385 HD22 ASN 51 2HD2 ASN 51 -7.547 8.770 -3.267 386 H LYS 52 H LYS 52 -3.738 11.313 0.698 387 HA LYS 52 HA LYS 52 -1.500 9.949 2.020 388 HB2 LYS 52 2HB LYS 52 -2.214 12.550 1.780 389 HB3 LYS 52 3HB LYS 52 -2.983 12.229 3.321 390 HG2 LYS 52 2HG LYS 52 -0.922 11.666 4.364 391 HG3 LYS 52 3HG LYS 52 -0.080 11.411 2.827 392 HD2 LYS 52 2HD LYS 52 -1.227 14.141 3.377 393 HD3 LYS 52 3HD LYS 52 0.231 13.647 4.233 394 HE2 LYS 52 2HE LYS 52 0.770 14.893 2.168 395 HE3 LYS 52 3HE LYS 52 1.452 13.263 2.197 396 HZ1 LYS 52 3HZ LYS 52 -0.296 12.540 0.730 397 HZ2 LYS 52 1HZ LYS 52 -0.960 14.048 0.674 398 HZ3 LYS 52 2HZ LYS 52 0.524 13.743 0.040 399 H LYS 53 H LYS 53 -3.981 8.395 1.781 400 HA LYS 53 HA LYS 53 -4.773 7.981 4.562 401 HB2 LYS 53 2HB LYS 53 -6.778 8.229 2.226 402 HB3 LYS 53 3HB LYS 53 -7.156 8.020 3.914 403 HG2 LYS 53 2HG LYS 53 -6.300 10.223 4.476 404 HG3 LYS 53 3HG LYS 53 -5.733 10.496 2.835 405 HD2 LYS 53 2HD LYS 53 -7.637 11.748 3.004 406 HD3 LYS 53 3HD LYS 53 -8.094 10.336 2.029 407 HE2 LYS 53 2HE LYS 53 -9.310 9.369 3.880 408 HE3 LYS 53 3HE LYS 53 -8.564 10.498 5.032 409 HZ1 LYS 53 3HZ LYS 53 -10.353 11.358 2.864 410 HZ2 LYS 53 1HZ LYS 53 -10.824 11.120 4.431 411 HZ3 LYS 53 2HZ LYS 53 -9.715 12.279 4.077 412 H CYS 54 H CYS 54 -5.601 5.822 4.821 413 HA CYS 54 HA CYS 54 -4.050 4.204 2.753 414 HB2 CYS 54 2HB CYS 54 -4.137 2.329 4.030 415 HB3 CYS 54 3HB CYS 54 -3.706 3.677 5.100 416 HA PRO 55 HA PRO 55 -7.500 3.477 0.326 417 HB2 PRO 55 2HB PRO 55 -6.810 1.285 -1.143 418 HB3 PRO 55 3HB PRO 55 -5.985 2.812 -1.306 419 HG2 PRO 55 2HG PRO 55 -5.128 0.375 0.149 420 HG3 PRO 55 3HG PRO 55 -4.134 1.534 -0.780 421 HD2 PRO 55 2HD PRO 55 -4.466 1.484 2.004 422 HD3 PRO 55 3HD PRO 55 -3.832 2.849 1.100 423 H ILE 56 H ILE 56 -6.705 0.949 2.659 424 HA ILE 56 HA ILE 56 -9.243 -0.479 2.171 425 HB ILE 56 HB ILE 56 -6.970 -0.940 4.148 426 HG12 ILE 56 2HG1 ILE 56 -7.290 -3.213 2.602 427 HG13 ILE 56 3HG1 ILE 56 -7.698 -1.964 1.428 428 HG21 ILE 56 1HG2 ILE 56 -8.140 -3.047 4.711 429 HG22 ILE 56 2HG2 ILE 56 -9.083 -1.641 5.196 430 HG23 ILE 56 3HG2 ILE 56 -9.530 -2.535 3.724 431 HD11 ILE 56 3HD1 ILE 56 -5.534 -0.841 1.896 432 HD12 ILE 56 1HD1 ILE 56 -5.188 -2.041 3.141 433 HD13 ILE 56 2HD1 ILE 56 -5.280 -2.552 1.451 434 H CYS 57 H CYS 57 -7.631 0.978 5.026 435 HA CYS 57 HA CYS 57 -10.038 1.291 6.604 436 HB2 CYS 57 2HB CYS 57 -8.469 2.697 7.969 437 HB3 CYS 57 3HB CYS 57 -7.982 1.058 7.703 438 H ARG 58 H ARG 58 -8.299 3.476 4.291 439 HA ARG 58 HA ARG 58 -9.216 5.167 3.033 440 HB2 ARG 58 2HB ARG 58 -11.343 3.529 3.482 441 HB3 ARG 58 3HB ARG 58 -11.930 4.975 4.299 442 HG2 ARG 58 2HG ARG 58 -10.989 4.763 1.399 443 HG3 ARG 58 3HG ARG 58 -12.665 4.768 1.965 444 HD2 ARG 58 2HD ARG 58 -12.041 7.045 3.086 445 HD3 ARG 58 3HD ARG 58 -10.652 7.024 2.002 446 HE ARG 58 HE ARG 58 -12.092 7.354 0.179 447 HH11 ARG 58 2HH2 ARG 58 -13.952 6.716 3.116 448 HH12 ARG 58 1HH2 ARG 58 -15.479 7.188 2.467 449 HH21 ARG 58 2HH1 ARG 58 -14.158 7.971 -0.745 450 HH22 ARG 58 1HH1 ARG 58 -15.591 7.905 0.213 451 H VAL 59 H VAL 59 -7.994 5.462 5.721 452 HA VAL 59 HA VAL 59 -9.041 8.187 6.314 453 HB VAL 59 HB VAL 59 -8.867 7.853 8.569 454 HG11 VAL 59 1HG1 VAL 59 -9.892 5.186 7.614 455 HG12 VAL 59 2HG1 VAL 59 -10.457 6.073 9.047 456 HG13 VAL 59 3HG1 VAL 59 -10.818 6.697 7.415 457 HG21 VAL 59 3HG2 VAL 59 -6.834 6.706 8.911 458 HG22 VAL 59 1HG2 VAL 59 -8.091 5.740 9.685 459 HG23 VAL 59 2HG2 VAL 59 -7.436 5.228 8.110 460 H ASP 60 H ASP 60 -7.406 9.623 7.359 461 HA ASP 60 HA ASP 60 -4.873 9.156 6.131 462 HB2 ASP 60 2HB ASP 60 -5.570 11.129 8.389 463 HB3 ASP 60 3HB ASP 60 -4.270 11.241 7.245 464 H ILE 61 H ILE 61 -3.344 7.904 6.986 465 HA ILE 61 HA ILE 61 -3.467 6.280 9.012 466 HB ILE 61 HB ILE 61 -0.916 7.751 8.306 467 HG12 ILE 61 2HG1 ILE 61 -0.830 5.497 6.827 468 HG13 ILE 61 3HG1 ILE 61 -2.570 5.686 6.812 469 HG21 ILE 61 1HG2 ILE 61 0.066 5.524 8.825 470 HG22 ILE 61 2HG2 ILE 61 -0.661 6.315 10.228 471 HG23 ILE 61 3HG2 ILE 61 -1.537 5.006 9.407 472 HD11 ILE 61 3HD1 ILE 61 -1.014 6.714 4.938 473 HD12 ILE 61 1HD1 ILE 61 -2.387 7.659 5.503 474 HD13 ILE 61 2HD1 ILE 61 -0.754 8.012 6.122 475 H GLU 62 H GLU 62 -2.506 9.637 9.417 476 HA GLU 62 HA GLU 62 -3.709 9.929 11.778 477 HB2 GLU 62 2HB GLU 62 -1.262 8.598 12.387 478 HB3 GLU 62 3HB GLU 62 -0.993 10.258 12.883 479 HG2 GLU 62 2HG GLU 62 -3.294 10.190 13.988 480 HG3 GLU 62 3HG GLU 62 -3.313 8.457 13.667 481 H ALA 63 H ALA 63 -3.242 11.306 9.295 482 HA ALA 63 HA ALA 63 -2.371 13.115 8.271 483 HB1 ALA 63 1HB ALA 63 -2.851 15.266 9.357 484 HB2 ALA 63 2HB ALA 63 -4.193 14.126 9.537 485 HB3 ALA 63 3HB ALA 63 -3.118 14.428 10.912 486 H GLN 64 H GLN 64 -1.120 15.036 10.663 487 HA GLN 64 HA GLN 64 1.008 15.895 10.794 488 HB2 GLN 64 2HB GLN 64 0.238 14.381 12.741 489 HB3 GLN 64 3HB GLN 64 1.490 13.258 12.187 490 HG2 GLN 64 2HG GLN 64 3.120 15.258 12.309 491 HG3 GLN 64 3HG GLN 64 1.822 16.164 13.085 492 HE21 GLN 64 1HE2 GLN 64 0.829 13.751 14.677 493 HE22 GLN 64 2HE2 GLN 64 2.084 13.562 15.888 494 H LEU 65 H LEU 65 1.175 15.272 8.279 495 HA LEU 65 HA LEU 65 2.575 15.017 6.581 496 HB2 LEU 65 2HB LEU 65 4.654 14.930 8.784 497 HB3 LEU 65 3HB LEU 65 5.091 14.534 7.145 498 HG LEU 65 HG LEU 65 3.937 16.746 6.448 499 HD11 LEU 65 1HD1 LEU 65 4.384 17.297 9.414 500 HD12 LEU 65 2HD1 LEU 65 4.015 18.521 8.181 501 HD13 LEU 65 3HD1 LEU 65 2.817 17.283 8.576 502 HD21 LEU 65 3HD2 LEU 65 6.367 16.348 6.366 503 HD22 LEU 65 1HD2 LEU 65 6.021 18.001 6.900 504 HD23 LEU 65 2HD2 LEU 65 6.507 16.768 8.087 505 HA PRO 66 HA PRO 66 2.580 10.772 5.613 506 HB2 PRO 66 2HB PRO 66 4.244 10.606 3.439 507 HB3 PRO 66 3HB PRO 66 2.676 11.475 3.368 508 HG2 PRO 66 2HG PRO 66 5.426 12.658 3.873 509 HG3 PRO 66 3HG PRO 66 4.202 13.190 2.672 510 HD2 PRO 66 2HD PRO 66 4.423 14.395 5.088 511 HD3 PRO 66 3HD PRO 66 2.812 14.101 4.369 512 H SER 67 H SER 67 3.866 8.789 5.775 513 HA SER 67 HA SER 67 6.592 9.104 6.810 514 HB2 SER 67 2HB SER 67 5.081 9.536 8.726 515 HB3 SER 67 3HB SER 67 4.261 7.996 8.439 516 HG SER 67 HG SER 67 6.146 6.915 9.001 517 H GLU 68 H GLU 68 7.671 7.169 6.884 518 HA GLU 68 HA GLU 68 8.322 5.110 6.469 519 HB2 GLU 68 2HB GLU 68 5.862 4.477 7.231 520 HB3 GLU 68 3HB GLU 68 5.656 4.113 5.508 521 HG2 GLU 68 2HG GLU 68 6.314 2.092 6.636 522 HG3 GLU 68 3HG GLU 68 7.672 2.623 5.639 523 H SER 69 H SER 69 9.591 4.614 4.766 524 HA SER 69 HA SER 69 8.590 4.552 2.069 525 HB2 SER 69 2HB SER 69 10.872 6.457 2.745 526 HB3 SER 69 3HB SER 69 10.119 6.176 1.164 527 HG SER 69 HG SER 69 8.114 6.866 2.520 Start of MODEL 28 1 H1 MET 1 H1 MET 1 11.513 -14.819 11.091 2 H2 MET 1 H2 MET 1 11.937 -16.208 10.300 3 H3 MET 1 H3 MET 1 11.468 -14.872 9.461 4 HA MET 1 HA MET 1 9.669 -16.419 9.461 5 HB2 MET 1 2HB MET 1 10.077 -16.297 12.471 6 HB3 MET 1 3HB MET 1 8.550 -16.815 11.738 7 HG2 MET 1 2HG MET 1 9.610 -18.653 10.596 8 HG3 MET 1 3HG MET 1 11.215 -18.108 11.090 9 HE1 MET 1 3HE MET 1 8.087 -19.959 13.988 10 HE2 MET 1 1HE MET 1 7.907 -18.295 13.405 11 HE3 MET 1 2HE MET 1 7.794 -19.658 12.262 12 H LYS 2 H LYS 2 7.494 -15.652 9.495 13 HA LYS 2 HA LYS 2 6.042 -14.056 8.936 14 HB2 LYS 2 2HB LYS 2 7.270 -12.212 10.995 15 HB3 LYS 2 3HB LYS 2 5.765 -12.015 10.138 16 HG2 LYS 2 2HG LYS 2 4.894 -12.826 12.054 17 HG3 LYS 2 3HG LYS 2 5.133 -14.343 11.200 18 HD2 LYS 2 2HD LYS 2 5.805 -14.656 13.438 19 HD3 LYS 2 3HD LYS 2 7.298 -14.641 12.524 20 HE2 LYS 2 2HE LYS 2 6.202 -12.141 13.885 21 HE3 LYS 2 3HE LYS 2 7.113 -13.354 14.785 22 HZ1 LYS 2 3HZ LYS 2 8.624 -11.720 14.107 23 HZ2 LYS 2 1HZ LYS 2 8.927 -13.019 13.128 24 HZ3 LYS 2 2HZ LYS 2 8.126 -11.730 12.548 25 H GLN 3 H GLN 3 7.534 -14.322 7.006 26 HA GLN 3 HA GLN 3 8.407 -11.702 6.073 27 HB2 GLN 3 2HB GLN 3 10.288 -14.095 6.195 28 HB3 GLN 3 3HB GLN 3 10.589 -12.600 5.294 29 HG2 GLN 3 2HG GLN 3 10.669 -11.302 7.371 30 HG3 GLN 3 3HG GLN 3 10.279 -12.747 8.320 31 HE21 GLN 3 1HE2 GLN 3 12.753 -11.529 5.998 32 HE22 GLN 3 2HE2 GLN 3 14.053 -12.458 6.718 33 H ASP 4 H ASP 4 6.203 -12.875 5.319 34 HA ASP 4 HA ASP 4 6.604 -13.681 2.573 35 HB2 ASP 4 2HB ASP 4 6.685 -15.822 4.167 36 HB3 ASP 4 3HB ASP 4 4.938 -15.578 4.256 37 H GLY 5 H GLY 5 4.284 -13.680 1.550 38 HA2 GLY 5 2HA GLY 5 2.777 -11.464 2.818 39 HA3 GLY 5 3HA GLY 5 2.520 -12.149 1.204 40 H GLU 6 H GLU 6 2.475 -13.457 4.608 41 HA GLU 6 HA GLU 6 -0.290 -14.096 4.426 42 HB2 GLU 6 2HB GLU 6 1.062 -15.998 3.118 43 HB3 GLU 6 3HB GLU 6 1.476 -16.542 4.748 44 HG2 GLU 6 2HG GLU 6 -1.030 -16.532 5.262 45 HG3 GLU 6 3HG GLU 6 -1.313 -16.160 3.562 46 H GLU 7 H GLU 7 -1.040 -14.803 6.514 47 HA GLU 7 HA GLU 7 -1.144 -15.071 8.729 48 HB2 GLU 7 2HB GLU 7 0.847 -16.545 8.553 49 HB3 GLU 7 3HB GLU 7 1.886 -15.149 8.908 50 HG2 GLU 7 2HG GLU 7 0.683 -14.801 11.053 51 HG3 GLU 7 3HG GLU 7 -0.350 -16.185 10.694 52 H GLY 8 H GLY 8 -1.996 -13.351 9.780 53 HA2 GLY 8 2HA GLY 8 -0.287 -10.953 10.196 54 HA3 GLY 8 3HA GLY 8 -1.973 -10.833 9.654 55 H THR 9 H THR 9 -0.498 -10.089 12.258 56 HA THR 9 HA THR 9 -2.052 -11.674 14.191 57 HB THR 9 HB THR 9 0.309 -11.508 14.615 58 HG1 THR 9 1HG THR 9 -1.451 -10.212 16.397 59 HG21 THR 9 1HG2 THR 9 1.259 -9.315 15.328 60 HG22 THR 9 2HG2 THR 9 0.843 -9.389 13.605 61 HG23 THR 9 3HG2 THR 9 -0.222 -8.524 14.739 62 H GLU 10 H GLU 10 -2.492 -8.874 12.374 63 HA GLU 10 HA GLU 10 -4.754 -8.111 13.855 64 HB2 GLU 10 2HB GLU 10 -2.658 -6.886 15.009 65 HB3 GLU 10 3HB GLU 10 -2.749 -5.842 13.598 66 HG2 GLU 10 2HG GLU 10 -4.017 -4.833 15.384 67 HG3 GLU 10 3HG GLU 10 -5.186 -5.395 14.193 68 H GLU 11 H GLU 11 -4.722 -5.395 12.354 69 HA GLU 11 HA GLU 11 -5.573 -6.504 9.863 70 HB2 GLU 11 2HB GLU 11 -6.067 -4.243 9.235 71 HB3 GLU 11 3HB GLU 11 -6.580 -4.544 10.887 72 HG2 GLU 11 2HG GLU 11 -4.347 -3.415 11.603 73 HG3 GLU 11 3HG GLU 11 -4.256 -2.817 9.934 74 H ASP 12 H ASP 12 -4.302 -7.213 8.268 75 HA ASP 12 HA ASP 12 -1.717 -5.889 7.701 76 HB2 ASP 12 2HB ASP 12 -0.921 -8.080 7.096 77 HB3 ASP 12 3HB ASP 12 -1.688 -8.231 8.685 78 H THR 13 H THR 13 -4.447 -7.652 6.247 79 HA THR 13 HA THR 13 -4.808 -8.260 4.132 80 HB THR 13 HB THR 13 -6.291 -6.418 4.781 81 HG1 THR 13 1HG THR 13 -6.942 -5.968 2.580 82 HG21 THR 13 1HG2 THR 13 -4.337 -4.690 4.589 83 HG22 THR 13 2HG2 THR 13 -4.811 -4.602 2.899 84 HG23 THR 13 3HG2 THR 13 -5.996 -4.217 4.180 85 H GLU 14 H GLU 14 -2.204 -8.553 4.271 86 HA GLU 14 HA GLU 14 -0.908 -6.754 2.382 87 HB2 GLU 14 2HB GLU 14 1.148 -7.804 2.954 88 HB3 GLU 14 3HB GLU 14 0.220 -7.326 4.376 89 HG2 GLU 14 2HG GLU 14 -0.331 -9.729 4.767 90 HG3 GLU 14 3HG GLU 14 0.748 -10.154 3.430 91 H GLU 15 H GLU 15 -2.693 -7.638 0.872 92 HA GLU 15 HA GLU 15 -2.100 -10.134 -0.511 93 HB2 GLU 15 2HB GLU 15 -4.437 -8.803 0.550 94 HB3 GLU 15 3HB GLU 15 -4.665 -8.925 -1.168 95 HG2 GLU 15 2HG GLU 15 -3.822 -11.292 0.575 96 HG3 GLU 15 3HG GLU 15 -5.507 -10.833 0.347 97 H LYS 16 H LYS 16 -3.442 -9.540 -2.861 98 HA LYS 16 HA LYS 16 -1.605 -8.341 -4.507 99 HB2 LYS 16 2HB LYS 16 -3.340 -8.126 -6.191 100 HB3 LYS 16 3HB LYS 16 -3.445 -9.682 -5.335 101 HG2 LYS 16 2HG LYS 16 -5.245 -8.768 -3.929 102 HG3 LYS 16 3HG LYS 16 -5.127 -7.220 -4.795 103 HD2 LYS 16 2HD LYS 16 -5.660 -8.348 -6.926 104 HD3 LYS 16 3HD LYS 16 -5.831 -9.898 -6.064 105 HE2 LYS 16 2HE LYS 16 -7.667 -8.990 -4.724 106 HE3 LYS 16 3HE LYS 16 -7.446 -7.386 -5.444 107 HZ1 LYS 16 3HZ LYS 16 -9.256 -8.586 -6.477 108 HZ2 LYS 16 1HZ LYS 16 -8.058 -8.310 -7.573 109 HZ3 LYS 16 2HZ LYS 16 -8.250 -9.812 -6.919 110 H CYS 17 H CYS 17 -1.162 -6.283 -5.316 111 HA CYS 17 HA CYS 17 -1.616 -4.095 -3.558 112 HB2 CYS 17 2HB CYS 17 0.417 -4.397 -4.846 113 HB3 CYS 17 3HB CYS 17 -0.514 -4.317 -6.344 114 H THR 18 H THR 18 -2.843 -2.325 -3.954 115 HA THR 18 HA THR 18 -5.228 -2.795 -5.699 116 HB THR 18 HB THR 18 -5.093 -2.814 -2.960 117 HG1 THR 18 1HG THR 18 -6.711 -3.720 -4.089 118 HG21 THR 18 1HG2 THR 18 -4.828 -0.377 -2.875 119 HG22 THR 18 2HG2 THR 18 -6.339 -0.188 -3.811 120 HG23 THR 18 3HG2 THR 18 -6.380 -0.901 -2.184 121 H ILE 19 H ILE 19 -2.738 -0.493 -4.712 122 HA ILE 19 HA ILE 19 -4.017 1.746 -5.960 123 HB ILE 19 HB ILE 19 -1.185 1.076 -5.005 124 HG12 ILE 19 2HG1 ILE 19 -2.030 3.193 -3.540 125 HG13 ILE 19 3HG1 ILE 19 -3.592 2.461 -3.807 126 HG21 ILE 19 1HG2 ILE 19 -2.185 3.718 -6.106 127 HG22 ILE 19 2HG2 ILE 19 -0.615 3.445 -5.302 128 HG23 ILE 19 3HG2 ILE 19 -0.955 2.656 -6.836 129 HD11 ILE 19 3HD1 ILE 19 -2.703 0.355 -2.785 130 HD12 ILE 19 1HD1 ILE 19 -1.114 1.133 -2.597 131 HD13 ILE 19 2HD1 ILE 19 -2.518 1.759 -1.713 132 H CYS 20 H CYS 20 -1.814 -0.855 -6.970 133 HA CYS 20 HA CYS 20 -1.850 0.273 -9.770 134 HB2 CYS 20 2HB CYS 20 -0.227 -1.542 -10.190 135 HB3 CYS 20 3HB CYS 20 0.348 -0.262 -9.099 136 H LEU 21 H LEU 21 -4.039 -1.181 -8.069 137 HA LEU 21 HA LEU 21 -5.551 -2.988 -8.370 138 HB2 LEU 21 2HB LEU 21 -5.345 -1.385 -10.835 139 HB3 LEU 21 3HB LEU 21 -6.389 -2.802 -10.795 140 HG LEU 21 HG LEU 21 -6.901 -1.496 -8.345 141 HD11 LEU 21 1HD1 LEU 21 -7.664 0.724 -9.052 142 HD12 LEU 21 2HD1 LEU 21 -5.906 0.556 -9.206 143 HD13 LEU 21 3HD1 LEU 21 -6.938 0.478 -10.660 144 HD21 LEU 21 3HD2 LEU 21 -8.477 -1.600 -10.937 145 HD22 LEU 21 1HD2 LEU 21 -8.397 -2.862 -9.678 146 HD23 LEU 21 2HD2 LEU 21 -9.141 -1.291 -9.313 147 H SER 22 H SER 22 -2.972 -4.176 -8.325 148 HA SER 22 HA SER 22 -3.596 -6.531 -9.955 149 HB2 SER 22 2HB SER 22 -2.357 -4.932 -11.492 150 HB3 SER 22 3HB SER 22 -0.944 -5.128 -10.433 151 HG SER 22 HG SER 22 -0.976 -6.606 -12.198 152 H ILE 23 H ILE 23 -1.740 -8.229 -9.683 153 HA ILE 23 HA ILE 23 -1.352 -8.649 -6.845 154 HB ILE 23 HB ILE 23 0.069 -10.573 -7.865 155 HG12 ILE 23 2HG1 ILE 23 -0.150 -9.301 -10.217 156 HG13 ILE 23 3HG1 ILE 23 0.066 -11.002 -9.996 157 HG21 ILE 23 1HG2 ILE 23 -2.947 -10.415 -8.078 158 HG22 ILE 23 2HG2 ILE 23 -1.979 -11.917 -8.096 159 HG23 ILE 23 3HG2 ILE 23 -1.980 -10.890 -6.668 160 HD11 ILE 23 3HD1 ILE 23 -2.240 -11.511 -10.291 161 HD12 ILE 23 1HD1 ILE 23 -2.685 -9.792 -10.332 162 HD13 ILE 23 2HD1 ILE 23 -1.712 -10.495 -11.645 163 H LEU 24 H LEU 24 0.623 -8.695 -5.727 164 HA LEU 24 HA LEU 24 2.580 -6.762 -6.511 165 HB2 LEU 24 2HB LEU 24 2.277 -8.916 -4.375 166 HB3 LEU 24 3HB LEU 24 3.794 -8.073 -4.563 167 HG LEU 24 HG LEU 24 1.151 -6.713 -4.115 168 HD11 LEU 24 1HD1 LEU 24 1.879 -6.345 -1.790 169 HD12 LEU 24 2HD1 LEU 24 1.860 -8.076 -2.137 170 HD13 LEU 24 3HD1 LEU 24 3.406 -7.201 -2.114 171 HD21 LEU 24 3HD2 LEU 24 2.573 -4.757 -3.470 172 HD22 LEU 24 1HD2 LEU 24 3.995 -5.647 -4.059 173 HD23 LEU 24 2HD2 LEU 24 2.685 -5.188 -5.174 174 H GLU 25 H GLU 25 4.887 -7.378 -6.549 175 HA GLU 25 HA GLU 25 5.335 -9.793 -8.216 176 HB2 GLU 25 2HB GLU 25 6.974 -8.600 -9.518 177 HB3 GLU 25 3HB GLU 25 5.369 -7.862 -9.628 178 HG2 GLU 25 2HG GLU 25 6.194 -6.334 -7.690 179 HG3 GLU 25 3HG GLU 25 7.801 -6.858 -8.149 180 H GLU 26 H GLU 26 6.046 -11.155 -6.652 181 HA GLU 26 HA GLU 26 7.548 -10.251 -4.431 182 HB2 GLU 26 2HB GLU 26 6.002 -12.363 -4.791 183 HB3 GLU 26 3HB GLU 26 7.463 -13.142 -5.386 184 HG2 GLU 26 2HG GLU 26 7.267 -13.637 -3.036 185 HG3 GLU 26 3HG GLU 26 8.592 -12.473 -3.200 186 H GLY 27 H GLY 27 9.536 -9.288 -4.870 187 HA2 GLY 27 2HA GLY 27 11.807 -10.722 -5.727 188 HA3 GLY 27 3HA GLY 27 11.047 -10.049 -7.178 189 H GLU 28 H GLU 28 10.067 -7.526 -6.128 190 HA GLU 28 HA GLU 28 12.608 -6.129 -5.599 191 HB2 GLU 28 2HB GLU 28 10.153 -5.590 -7.094 192 HB3 GLU 28 3HB GLU 28 10.351 -4.377 -5.891 193 HG2 GLU 28 2HG GLU 28 12.488 -5.213 -7.914 194 HG3 GLU 28 3HG GLU 28 11.410 -3.824 -8.104 195 H ASP 29 H ASP 29 11.737 -4.084 -4.233 196 HA ASP 29 HA ASP 29 11.190 -5.333 -1.590 197 HB2 ASP 29 2HB ASP 29 12.743 -2.985 -2.478 198 HB3 ASP 29 3HB ASP 29 11.676 -2.632 -1.119 199 H VAL 30 H VAL 30 9.516 -4.649 -0.213 200 HA VAL 30 HA VAL 30 7.478 -2.881 -1.393 201 HB VAL 30 HB VAL 30 5.850 -4.382 -0.271 202 HG11 VAL 30 1HG1 VAL 30 7.613 -5.754 -2.299 203 HG12 VAL 30 2HG1 VAL 30 5.866 -6.027 -2.019 204 HG13 VAL 30 3HG1 VAL 30 6.447 -4.460 -2.643 205 HG21 VAL 30 3HG2 VAL 30 7.453 -5.430 1.336 206 HG22 VAL 30 1HG2 VAL 30 6.465 -6.597 0.426 207 HG23 VAL 30 2HG2 VAL 30 8.156 -6.327 -0.038 208 H ARG 31 H ARG 31 5.802 -2.354 0.462 209 HA ARG 31 HA ARG 31 7.264 -1.551 2.823 210 HB2 ARG 31 2HB ARG 31 8.002 -0.088 0.800 211 HB3 ARG 31 3HB ARG 31 6.406 0.646 0.986 212 HG2 ARG 31 2HG ARG 31 8.666 0.577 3.016 213 HG3 ARG 31 3HG ARG 31 8.096 1.980 2.087 214 HD2 ARG 31 2HD ARG 31 5.794 1.540 3.128 215 HD3 ARG 31 3HD ARG 31 6.613 0.445 4.240 216 HE ARG 31 HE ARG 31 6.539 3.326 4.247 217 HH11 ARG 31 2HH2 ARG 31 8.534 0.595 5.215 218 HH12 ARG 31 1HH2 ARG 31 9.310 1.401 6.537 219 HH21 ARG 31 2HH1 ARG 31 7.589 4.466 5.964 220 HH22 ARG 31 1HH1 ARG 31 8.744 3.673 6.972 221 H ARG 32 H ARG 32 5.676 -1.833 4.336 222 HA ARG 32 HA ARG 32 2.907 -1.539 3.546 223 HB2 ARG 32 2HB ARG 32 2.467 -1.940 6.021 224 HB3 ARG 32 3HB ARG 32 3.291 -3.254 5.198 225 HG2 ARG 32 2HG ARG 32 5.089 -1.237 6.478 226 HG3 ARG 32 3HG ARG 32 4.081 -2.182 7.576 227 HD2 ARG 32 2HD ARG 32 4.924 -4.288 6.681 228 HD3 ARG 32 3HD ARG 32 5.788 -3.461 5.395 229 HE ARG 32 HE ARG 32 7.520 -3.065 6.794 230 HH11 ARG 32 2HH2 ARG 32 4.713 -3.901 8.760 231 HH12 ARG 32 1HH2 ARG 32 5.547 -3.886 10.267 232 HH21 ARG 32 2HH1 ARG 32 8.684 -3.030 8.800 233 HH22 ARG 32 1HH1 ARG 32 7.870 -3.378 10.280 234 H LEU 33 H LEU 33 1.362 -0.172 4.698 235 HA LEU 33 HA LEU 33 2.240 2.597 4.590 236 HB2 LEU 33 2HB LEU 33 -0.302 1.153 5.452 237 HB3 LEU 33 3HB LEU 33 -0.153 2.918 5.460 238 HG LEU 33 HG LEU 33 0.444 1.405 2.975 239 HD11 LEU 33 1HD1 LEU 33 -1.954 1.633 2.315 240 HD12 LEU 33 2HD1 LEU 33 -1.695 0.470 3.633 241 HD13 LEU 33 3HD1 LEU 33 -2.330 2.093 3.989 242 HD21 LEU 33 3HD2 LEU 33 -0.268 3.458 1.893 243 HD22 LEU 33 1HD2 LEU 33 -0.883 4.112 3.429 244 HD23 LEU 33 2HD2 LEU 33 0.863 3.892 3.185 245 HA PRO 34 HA PRO 34 3.534 2.558 8.826 246 HB2 PRO 34 2HB PRO 34 2.986 5.227 9.556 247 HB3 PRO 34 3HB PRO 34 4.452 4.631 8.730 248 HG2 PRO 34 2HG PRO 34 2.077 6.024 7.539 249 HG3 PRO 34 3HG PRO 34 3.783 6.076 7.038 250 HD2 PRO 34 2HD PRO 34 1.808 4.580 5.779 251 HD3 PRO 34 3HD PRO 34 3.553 4.189 5.719 252 H CYS 35 H CYS 35 0.333 3.136 7.886 253 HA CYS 35 HA CYS 35 -1.277 2.922 10.264 254 HB2 CYS 35 2HB CYS 35 -2.223 3.373 8.141 255 HB3 CYS 35 3HB CYS 35 -1.411 1.976 7.426 256 H MET 36 H MET 36 -0.101 0.276 8.129 257 HA MET 36 HA MET 36 0.675 -1.700 9.726 258 HB2 MET 36 2HB MET 36 -2.187 -1.091 10.305 259 HB3 MET 36 3HB MET 36 -1.882 -2.754 9.874 260 HG2 MET 36 2HG MET 36 -0.466 -3.167 11.671 261 HG3 MET 36 3HG MET 36 -0.068 -1.468 11.888 262 HE1 MET 36 3HE MET 36 -1.776 -0.888 15.063 263 HE2 MET 36 1HE MET 36 -0.311 -1.750 14.530 264 HE3 MET 36 2HE MET 36 -0.765 -0.205 13.769 265 H HIS 37 H HIS 37 -2.260 -1.369 7.589 266 HA HIS 37 HA HIS 37 -1.974 -3.670 6.250 267 HB2 HIS 37 1HB HIS 37 -2.903 -1.074 5.018 268 HB3 HIS 37 2HB HIS 37 -3.389 -2.658 4.545 269 HD2 HIS 37 2HD HIS 37 -4.923 -4.069 6.461 270 HE1 HIS 37 1HE HIS 37 -6.921 -0.498 7.749 271 HE2 HIS 37 2HE HIS 37 -7.027 -3.070 7.723 272 H LEU 38 H LEU 38 -1.028 -4.312 4.146 273 HA LEU 38 HA LEU 38 1.463 -2.750 3.754 274 HB2 LEU 38 2HB LEU 38 1.730 -4.956 4.586 275 HB3 LEU 38 3HB LEU 38 0.878 -5.627 3.185 276 HG LEU 38 HG LEU 38 3.361 -4.041 2.726 277 HD11 LEU 38 1HD1 LEU 38 4.027 -5.453 4.605 278 HD12 LEU 38 2HD1 LEU 38 3.396 -6.884 3.780 279 HD13 LEU 38 3HD1 LEU 38 4.788 -6.019 3.104 280 HD21 LEU 38 3HD2 LEU 38 3.701 -5.538 0.870 281 HD22 LEU 38 1HD2 LEU 38 2.577 -6.734 1.526 282 HD23 LEU 38 2HD2 LEU 38 1.954 -5.241 0.845 283 H PHE 39 H PHE 39 2.582 -2.619 1.582 284 HA PHE 39 HA PHE 39 1.014 -3.327 -0.713 285 HB2 PHE 39 2HB PHE 39 1.411 -0.414 0.058 286 HB3 PHE 39 3HB PHE 39 1.290 -0.860 -1.631 287 HD1 PHE 39 2HD PHE 39 -0.632 -2.512 -2.279 288 HD2 PHE 39 1HD PHE 39 -0.632 -0.048 1.239 289 HE1 PHE 39 2HE PHE 39 -3.097 -2.815 -2.060 290 HE2 PHE 39 1HE PHE 39 -3.085 -0.297 1.415 291 HZ PHE 39 HZ PHE 39 -4.339 -1.591 -0.353 292 H HIS 40 H HIS 40 2.201 -2.344 -2.661 293 HA HIS 40 HA HIS 40 4.912 -3.174 -2.997 294 HB2 HIS 40 1HB HIS 40 2.854 -1.589 -4.390 295 HB3 HIS 40 2HB HIS 40 4.484 -1.006 -4.717 296 HD2 HIS 40 2HD HIS 40 6.045 -3.691 -5.320 297 HE1 HIS 40 1HE HIS 40 3.227 -3.789 -8.504 298 HE2 HIS 40 2HE HIS 40 5.475 -4.557 -7.740 299 H GLN 41 H GLN 41 6.878 -1.889 -2.860 300 HA GLN 41 HA GLN 41 6.713 0.331 -1.041 301 HB2 GLN 41 2HB GLN 41 8.795 -0.983 -1.169 302 HB3 GLN 41 3HB GLN 41 9.032 -0.509 -2.855 303 HG2 GLN 41 2HG GLN 41 9.573 1.708 -2.301 304 HG3 GLN 41 3HG GLN 41 8.699 1.652 -0.766 305 HE21 GLN 41 1HE2 GLN 41 10.195 1.977 0.884 306 HE22 GLN 41 2HE2 GLN 41 11.710 1.075 0.943 307 H VAL 42 H VAL 42 7.508 0.242 -4.481 308 HA VAL 42 HA VAL 42 7.575 3.049 -4.789 309 HB VAL 42 HB VAL 42 8.075 0.954 -6.398 310 HG11 VAL 42 1HG1 VAL 42 6.654 0.849 -8.342 311 HG12 VAL 42 2HG1 VAL 42 5.698 0.458 -6.905 312 HG13 VAL 42 3HG1 VAL 42 5.551 2.060 -7.675 313 HG21 VAL 42 3HG2 VAL 42 8.432 2.572 -8.242 314 HG22 VAL 42 1HG2 VAL 42 7.447 3.770 -7.370 315 HG23 VAL 42 2HG2 VAL 42 8.988 3.206 -6.684 316 H CYS 43 H CYS 43 4.869 0.984 -4.383 317 HA CYS 43 HA CYS 43 2.843 2.916 -5.521 318 HB2 CYS 43 2HB CYS 43 2.665 0.403 -3.897 319 HB3 CYS 43 3HB CYS 43 1.310 1.396 -4.387 320 H VAL 44 H VAL 44 4.149 1.895 -2.217 321 HA VAL 44 HA VAL 44 2.123 3.294 -0.844 322 HB VAL 44 HB VAL 44 4.214 1.638 -0.199 323 HG11 VAL 44 1HG1 VAL 44 5.895 3.407 -0.315 324 HG12 VAL 44 2HG1 VAL 44 5.023 4.343 0.927 325 HG13 VAL 44 3HG1 VAL 44 5.726 2.775 1.324 326 HG21 VAL 44 3HG2 VAL 44 2.693 3.497 1.648 327 HG22 VAL 44 1HG2 VAL 44 2.133 1.926 1.016 328 HG23 VAL 44 2HG2 VAL 44 3.511 1.986 2.128 329 H ASP 45 H ASP 45 4.963 4.216 -2.545 330 HA ASP 45 HA ASP 45 5.230 6.889 -1.361 331 HB2 ASP 45 2HB ASP 45 7.206 5.853 -2.369 332 HB3 ASP 45 3HB ASP 45 6.392 5.720 -3.927 333 H GLN 46 H GLN 46 4.453 6.083 -4.823 334 HA GLN 46 HA GLN 46 3.379 8.648 -5.250 335 HB2 GLN 46 2HB GLN 46 2.660 6.075 -6.728 336 HB3 GLN 46 3HB GLN 46 2.303 7.726 -7.265 337 HG2 GLN 46 2HG GLN 46 4.891 8.116 -6.949 338 HG3 GLN 46 3HG GLN 46 4.989 6.352 -7.050 339 HE21 GLN 46 1HE2 GLN 46 5.161 9.149 -8.897 340 HE22 GLN 46 2HE2 GLN 46 4.658 8.464 -10.438 341 H TRP 47 H TRP 47 1.857 5.853 -3.804 342 HA TRP 47 HA TRP 47 -0.820 6.820 -3.879 343 HB2 TRP 47 2HB TRP 47 -0.224 4.491 -3.257 344 HB3 TRP 47 3HB TRP 47 0.495 5.082 -1.751 345 HD1 TRP 47 HD1 TRP 47 -1.135 4.809 0.195 346 HE1 TRP 47 HE1 TRP 47 -3.712 4.935 0.509 347 HE3 TRP 47 HE3 TRP 47 -2.597 5.966 -4.584 348 HZ2 TRP 47 HZ2 TRP 47 -5.968 4.954 -1.089 349 HZ3 TRP 47 HZ3 TRP 47 -4.971 6.229 -5.111 350 HH2 TRP 47 HH2 TRP 47 -6.725 5.621 -3.428 351 H LEU 48 H LEU 48 1.692 7.067 -1.255 352 HA LEU 48 HA LEU 48 0.271 8.732 0.434 353 HB2 LEU 48 2HB LEU 48 3.109 8.033 -0.100 354 HB3 LEU 48 3HB LEU 48 2.929 9.588 0.621 355 HG LEU 48 HG LEU 48 1.605 7.069 1.700 356 HD11 LEU 48 1HD1 LEU 48 4.045 6.822 1.744 357 HD12 LEU 48 2HD1 LEU 48 4.211 8.391 2.560 358 HD13 LEU 48 3HD1 LEU 48 3.413 7.032 3.390 359 HD21 LEU 48 3HD2 LEU 48 1.398 8.371 3.803 360 HD22 LEU 48 1HD2 LEU 48 2.142 9.777 3.012 361 HD23 LEU 48 2HD2 LEU 48 0.554 9.195 2.487 362 H ILE 49 H ILE 49 2.133 9.680 -2.518 363 HA ILE 49 HA ILE 49 1.793 12.466 -2.199 364 HB ILE 49 HB ILE 49 2.073 10.777 -4.686 365 HG12 ILE 49 2HG1 ILE 49 3.918 10.322 -3.211 366 HG13 ILE 49 3HG1 ILE 49 4.415 11.251 -4.593 367 HG21 ILE 49 1HG2 ILE 49 2.413 13.745 -4.252 368 HG22 ILE 49 2HG2 ILE 49 3.050 12.864 -5.666 369 HG23 ILE 49 3HG2 ILE 49 1.306 12.926 -5.367 370 HD11 ILE 49 3HD1 ILE 49 4.356 13.312 -3.206 371 HD12 ILE 49 1HD1 ILE 49 3.909 12.306 -1.803 372 HD13 ILE 49 2HD1 ILE 49 5.488 12.088 -2.586 373 H THR 50 H THR 50 -0.471 9.958 -3.616 374 HA THR 50 HA THR 50 -2.313 12.014 -4.499 375 HB THR 50 HB THR 50 -1.721 9.092 -4.857 376 HG1 THR 50 1HG THR 50 -1.085 10.575 -6.340 377 HG21 THR 50 1HG2 THR 50 -4.514 10.165 -5.063 378 HG22 THR 50 2HG2 THR 50 -3.896 8.775 -6.006 379 HG23 THR 50 3HG2 THR 50 -3.870 8.704 -4.244 380 H ASN 51 H ASN 51 -2.746 9.027 -2.458 381 HA ASN 51 HA ASN 51 -4.775 10.494 -0.907 382 HB2 ASN 51 2HB ASN 51 -4.844 8.004 -2.028 383 HB3 ASN 51 3HB ASN 51 -4.211 7.593 -0.438 384 HD21 ASN 51 1HD2 ASN 51 -7.024 7.683 -2.027 385 HD22 ASN 51 2HD2 ASN 51 -8.101 8.211 -0.743 386 H LYS 52 H LYS 52 -4.131 11.377 1.013 387 HA LYS 52 HA LYS 52 -1.741 10.307 2.378 388 HB2 LYS 52 2HB LYS 52 -1.974 12.160 3.899 389 HB3 LYS 52 3HB LYS 52 -2.040 12.730 2.238 390 HG2 LYS 52 2HG LYS 52 -4.741 12.169 3.243 391 HG3 LYS 52 3HG LYS 52 -3.877 13.244 4.339 392 HD2 LYS 52 2HD LYS 52 -3.356 14.745 2.407 393 HD3 LYS 52 3HD LYS 52 -4.314 13.673 1.353 394 HE2 LYS 52 2HE LYS 52 -6.277 14.007 2.893 395 HE3 LYS 52 3HE LYS 52 -5.307 15.134 3.846 396 HZ1 LYS 52 3HZ LYS 52 -6.062 15.482 1.010 397 HZ2 LYS 52 1HZ LYS 52 -6.685 16.308 2.291 398 HZ3 LYS 52 2HZ LYS 52 -5.110 16.519 1.865 399 H LYS 53 H LYS 53 -4.425 8.721 2.121 400 HA LYS 53 HA LYS 53 -4.753 8.142 5.018 401 HB2 LYS 53 2HB LYS 53 -7.013 8.237 2.945 402 HB3 LYS 53 3HB LYS 53 -7.149 7.946 4.673 403 HG2 LYS 53 2HG LYS 53 -6.334 10.227 5.126 404 HG3 LYS 53 3HG LYS 53 -6.194 10.544 3.396 405 HD2 LYS 53 2HD LYS 53 -8.206 11.563 4.273 406 HD3 LYS 53 3HD LYS 53 -8.580 10.302 3.074 407 HE2 LYS 53 2HE LYS 53 -9.022 8.706 4.936 408 HE3 LYS 53 3HE LYS 53 -8.677 9.988 6.110 409 HZ1 LYS 53 3HZ LYS 53 -10.548 11.173 5.345 410 HZ2 LYS 53 1HZ LYS 53 -10.822 10.114 4.100 411 HZ3 LYS 53 2HZ LYS 53 -11.022 9.616 5.655 412 H CYS 54 H CYS 54 -5.843 6.042 5.287 413 HA CYS 54 HA CYS 54 -4.241 4.075 3.759 414 HB2 CYS 54 2HB CYS 54 -4.951 3.962 6.207 415 HB3 CYS 54 3HB CYS 54 -6.569 3.556 5.591 416 HA PRO 55 HA PRO 55 -7.412 3.608 0.597 417 HB2 PRO 55 2HB PRO 55 -6.485 1.401 -0.704 418 HB3 PRO 55 3HB PRO 55 -5.667 2.940 -0.839 419 HG2 PRO 55 2HG PRO 55 -4.993 0.647 0.909 420 HG3 PRO 55 3HG PRO 55 -3.883 1.662 -0.060 421 HD2 PRO 55 2HD PRO 55 -4.314 1.994 2.614 422 HD3 PRO 55 3HD PRO 55 -3.847 3.330 1.579 423 H ILE 56 H ILE 56 -6.570 1.156 3.043 424 HA ILE 56 HA ILE 56 -9.181 -0.184 2.632 425 HB ILE 56 HB ILE 56 -6.785 -0.953 4.315 426 HG12 ILE 56 2HG1 ILE 56 -7.440 -2.943 2.374 427 HG13 ILE 56 3HG1 ILE 56 -7.475 -1.412 1.501 428 HG21 ILE 56 1HG2 ILE 56 -9.429 -2.377 3.833 429 HG22 ILE 56 2HG2 ILE 56 -8.012 -3.097 4.633 430 HG23 ILE 56 3HG2 ILE 56 -8.838 -1.731 5.380 431 HD11 ILE 56 3HD1 ILE 56 -5.216 -0.872 2.344 432 HD12 ILE 56 1HD1 ILE 56 -5.202 -2.329 3.308 433 HD13 ILE 56 2HD1 ILE 56 -5.211 -2.469 1.542 434 H CYS 57 H CYS 57 -7.183 1.154 5.401 435 HA CYS 57 HA CYS 57 -9.360 1.094 7.247 436 HB2 CYS 57 2HB CYS 57 -7.510 3.351 7.490 437 HB3 CYS 57 3HB CYS 57 -8.191 2.330 8.700 438 H ARG 58 H ARG 58 -8.560 3.441 4.695 439 HA ARG 58 HA ARG 58 -9.454 5.340 3.928 440 HB2 ARG 58 2HB ARG 58 -11.911 4.107 5.139 441 HB3 ARG 58 3HB ARG 58 -11.984 5.802 4.704 442 HG2 ARG 58 2HG ARG 58 -12.755 4.307 2.912 443 HG3 ARG 58 3HG ARG 58 -11.429 5.367 2.409 444 HD2 ARG 58 2HD ARG 58 -9.868 3.638 2.321 445 HD3 ARG 58 3HD ARG 58 -10.747 2.656 3.483 446 HE ARG 58 HE ARG 58 -11.002 2.614 0.649 447 HH11 ARG 58 2HH2 ARG 58 -12.353 1.607 3.705 448 HH12 ARG 58 1HH2 ARG 58 -13.711 0.753 3.063 449 HH21 ARG 58 2HH1 ARG 58 -12.805 1.457 -0.320 450 HH22 ARG 58 1HH1 ARG 58 -13.890 0.560 0.683 451 H VAL 59 H VAL 59 -8.019 5.240 6.601 452 HA VAL 59 HA VAL 59 -8.936 7.934 7.464 453 HB VAL 59 HB VAL 59 -8.596 7.492 9.627 454 HG11 VAL 59 1HG1 VAL 59 -9.966 5.570 10.182 455 HG12 VAL 59 2HG1 VAL 59 -10.536 6.242 8.634 456 HG13 VAL 59 3HG1 VAL 59 -9.512 4.781 8.657 457 HG21 VAL 59 3HG2 VAL 59 -6.445 6.553 9.756 458 HG22 VAL 59 1HG2 VAL 59 -7.526 5.437 10.599 459 HG23 VAL 59 2HG2 VAL 59 -6.955 5.040 8.962 460 H ASP 60 H ASP 60 -7.324 9.382 8.186 461 HA ASP 60 HA ASP 60 -4.924 9.183 6.687 462 HB2 ASP 60 2HB ASP 60 -5.441 11.116 9.001 463 HB3 ASP 60 3HB ASP 60 -4.457 11.333 7.586 464 H ILE 61 H ILE 61 -3.173 8.050 7.354 465 HA ILE 61 HA ILE 61 -2.999 6.553 9.541 466 HB ILE 61 HB ILE 61 -0.592 7.849 8.245 467 HG12 ILE 61 2HG1 ILE 61 -0.991 5.363 7.086 468 HG13 ILE 61 3HG1 ILE 61 -2.647 5.900 7.263 469 HG21 ILE 61 1HG2 ILE 61 -1.099 5.262 9.744 470 HG22 ILE 61 2HG2 ILE 61 0.405 5.630 8.866 471 HG23 ILE 61 3HG2 ILE 61 -0.056 6.605 10.259 472 HD11 ILE 61 3HD1 ILE 61 -0.350 7.222 5.767 473 HD12 ILE 61 1HD1 ILE 61 -1.895 6.630 5.109 474 HD13 ILE 61 2HD1 ILE 61 -1.848 8.094 6.114 475 H GLU 62 H GLU 62 -2.251 9.955 9.460 476 HA GLU 62 HA GLU 62 -1.640 11.489 10.998 477 HB2 GLU 62 2HB GLU 62 -3.613 9.787 12.272 478 HB3 GLU 62 3HB GLU 62 -2.528 10.424 13.498 479 HG2 GLU 62 2HG GLU 62 -3.905 12.133 11.391 480 HG3 GLU 62 3HG GLU 62 -4.526 11.850 13.020 481 H ALA 63 H ALA 63 0.494 10.736 10.304 482 HA ALA 63 HA ALA 63 2.133 10.254 12.711 483 HB1 ALA 63 1HB ALA 63 3.435 8.443 11.616 484 HB2 ALA 63 2HB ALA 63 1.741 7.980 11.871 485 HB3 ALA 63 3HB ALA 63 2.293 8.458 10.250 486 H GLN 64 H GLN 64 4.272 10.986 12.518 487 HA GLN 64 HA GLN 64 4.611 13.125 10.545 488 HB2 GLN 64 2HB GLN 64 5.046 13.329 13.049 489 HB3 GLN 64 3HB GLN 64 6.393 12.215 12.854 490 HG2 GLN 64 2HG GLN 64 7.547 14.186 12.681 491 HG3 GLN 64 3HG GLN 64 7.134 14.008 10.976 492 HE21 GLN 64 1HE2 GLN 64 6.797 16.005 13.810 493 HE22 GLN 64 2HE2 GLN 64 5.648 17.128 13.098 494 H LEU 65 H LEU 65 5.270 12.254 8.507 495 HA LEU 65 HA LEU 65 8.031 11.358 8.512 496 HB2 LEU 65 2HB LEU 65 7.550 9.474 6.909 497 HB3 LEU 65 3HB LEU 65 7.172 9.167 8.594 498 HG LEU 65 HG LEU 65 4.831 10.239 7.126 499 HD11 LEU 65 1HD1 LEU 65 6.001 7.569 6.244 500 HD12 LEU 65 2HD1 LEU 65 4.401 8.224 5.807 501 HD13 LEU 65 3HD1 LEU 65 5.869 9.036 5.244 502 HD21 LEU 65 3HD2 LEU 65 3.728 8.370 8.217 503 HD22 LEU 65 1HD2 LEU 65 5.295 7.641 8.649 504 HD23 LEU 65 2HD2 LEU 65 4.791 9.177 9.380 505 HA PRO 66 HA PRO 66 7.454 13.867 4.793 506 HB2 PRO 66 2HB PRO 66 10.054 14.189 4.073 507 HB3 PRO 66 3HB PRO 66 9.425 14.945 5.567 508 HG2 PRO 66 2HG PRO 66 10.928 12.318 5.306 509 HG3 PRO 66 3HG PRO 66 11.269 13.678 6.426 510 HD2 PRO 66 2HD PRO 66 9.784 11.473 7.145 511 HD3 PRO 66 3HD PRO 66 9.464 13.104 7.817 512 H SER 67 H SER 67 8.206 13.627 2.420 513 HA SER 67 HA SER 67 8.979 11.118 1.444 514 HB2 SER 67 2HB SER 67 6.544 10.752 2.404 515 HB3 SER 67 3HB SER 67 6.019 11.633 0.972 516 HG SER 67 HG SER 67 6.988 9.971 -0.315 517 H GLU 68 H GLU 68 9.831 11.757 -0.525 518 HA GLU 68 HA GLU 68 8.447 13.810 -2.130 519 HB2 GLU 68 2HB GLU 68 10.781 14.904 -2.451 520 HB3 GLU 68 3HB GLU 68 9.765 15.365 -1.104 521 HG2 GLU 68 2HG GLU 68 11.756 13.174 -0.560 522 HG3 GLU 68 3HG GLU 68 12.389 14.785 -0.862 523 H SER 69 H SER 69 11.577 12.017 -2.093 524 HA SER 69 HA SER 69 12.646 10.824 -3.694 525 HB2 SER 69 2HB SER 69 9.819 10.261 -4.479 526 HB3 SER 69 3HB SER 69 11.028 10.102 -5.753 527 HG SER 69 HG SER 69 10.778 8.729 -3.326 Start of MODEL 29 1 H1 MET 1 H1 MET 1 11.097 2.720 10.839 2 H2 MET 1 H2 MET 1 11.423 3.624 9.499 3 H3 MET 1 H3 MET 1 10.480 2.277 9.381 4 HA MET 1 HA MET 1 12.635 1.807 8.507 5 HB2 MET 1 2HB MET 1 13.559 2.788 11.212 6 HB3 MET 1 3HB MET 1 14.526 1.672 10.220 7 HG2 MET 1 2HG MET 1 14.349 3.249 8.297 8 HG3 MET 1 3HG MET 1 13.491 4.389 9.336 9 HE1 MET 1 3HE MET 1 16.888 2.420 8.802 10 HE2 MET 1 1HE MET 1 16.662 3.769 7.662 11 HE3 MET 1 2HE MET 1 17.963 3.837 8.868 12 H LYS 2 H LYS 2 12.272 0.840 12.013 13 HA LYS 2 HA LYS 2 11.724 -1.873 10.943 14 HB2 LYS 2 2HB LYS 2 13.976 -1.271 12.293 15 HB3 LYS 2 3HB LYS 2 12.891 -1.396 13.680 16 HG2 LYS 2 2HG LYS 2 13.502 -3.615 13.563 17 HG3 LYS 2 3HG LYS 2 12.188 -3.677 12.388 18 HD2 LYS 2 2HD LYS 2 13.890 -4.720 11.191 19 HD3 LYS 2 3HD LYS 2 14.045 -3.051 10.638 20 HE2 LYS 2 2HE LYS 2 16.263 -3.693 11.138 21 HE3 LYS 2 3HE LYS 2 15.768 -2.748 12.551 22 HZ1 LYS 2 3HZ LYS 2 15.291 -4.864 13.670 23 HZ2 LYS 2 1HZ LYS 2 15.809 -5.699 12.354 24 HZ3 LYS 2 2HZ LYS 2 16.865 -4.774 13.205 25 H GLN 3 H GLN 3 10.335 -3.116 12.625 26 HA GLN 3 HA GLN 3 8.634 -1.487 14.341 27 HB2 GLN 3 2HB GLN 3 7.633 -3.337 12.123 28 HB3 GLN 3 3HB GLN 3 6.614 -2.681 13.399 29 HG2 GLN 3 2HG GLN 3 8.079 -0.926 11.370 30 HG3 GLN 3 3HG GLN 3 6.456 -1.557 11.140 31 HE21 GLN 3 1HE2 GLN 3 8.343 0.406 13.599 32 HE22 GLN 3 2HE2 GLN 3 6.901 1.318 14.044 33 H ASP 4 H ASP 4 7.480 -3.046 15.857 34 HA ASP 4 HA ASP 4 9.185 -5.300 16.515 35 HB2 ASP 4 2HB ASP 4 6.481 -4.337 17.515 36 HB3 ASP 4 3HB ASP 4 7.220 -5.856 18.051 37 H GLY 5 H GLY 5 8.897 -7.395 15.949 38 HA2 GLY 5 2HA GLY 5 6.567 -8.482 14.710 39 HA3 GLY 5 3HA GLY 5 7.875 -8.190 13.526 40 H GLU 6 H GLU 6 7.903 -10.634 13.477 41 HA GLU 6 HA GLU 6 9.007 -12.581 13.892 42 HB2 GLU 6 2HB GLU 6 10.961 -11.226 14.712 43 HB3 GLU 6 3HB GLU 6 10.331 -11.400 16.361 44 HG2 GLU 6 2HG GLU 6 10.372 -13.871 16.108 45 HG3 GLU 6 3HG GLU 6 11.088 -13.675 14.502 46 H GLU 7 H GLU 7 7.043 -13.584 14.192 47 HA GLU 7 HA GLU 7 5.418 -14.742 15.315 48 HB2 GLU 7 2HB GLU 7 7.570 -15.156 16.887 49 HB3 GLU 7 3HB GLU 7 6.560 -14.270 18.026 50 HG2 GLU 7 2HG GLU 7 4.869 -16.205 16.727 51 HG3 GLU 7 3HG GLU 7 6.384 -17.027 17.079 52 H GLY 8 H GLY 8 4.081 -14.374 17.574 53 HA2 GLY 8 2HA GLY 8 2.727 -12.908 18.792 54 HA3 GLY 8 3HA GLY 8 3.351 -11.534 17.860 55 H THR 9 H THR 9 2.449 -11.142 15.683 56 HA THR 9 HA THR 9 0.181 -12.699 14.833 57 HB THR 9 HB THR 9 -0.981 -11.477 16.523 58 HG1 THR 9 1HG THR 9 -1.612 -10.158 14.110 59 HG21 THR 9 1HG2 THR 9 0.077 -8.977 15.173 60 HG22 THR 9 2HG2 THR 9 -1.138 -9.024 16.476 61 HG23 THR 9 3HG2 THR 9 0.521 -9.580 16.784 62 H GLU 10 H GLU 10 -0.617 -11.916 12.735 63 HA GLU 10 HA GLU 10 1.347 -10.481 11.097 64 HB2 GLU 10 2HB GLU 10 -1.413 -11.668 10.726 65 HB3 GLU 10 3HB GLU 10 -0.819 -10.484 9.552 66 HG2 GLU 10 2HG GLU 10 0.838 -11.850 8.741 67 HG3 GLU 10 3HG GLU 10 1.096 -12.662 10.285 68 H GLU 11 H GLU 11 0.949 -8.412 10.249 69 HA GLU 11 HA GLU 11 -1.025 -6.685 11.652 70 HB2 GLU 11 2HB GLU 11 1.102 -6.464 12.849 71 HB3 GLU 11 3HB GLU 11 1.969 -6.158 11.336 72 HG2 GLU 11 2HG GLU 11 0.813 -4.054 11.014 73 HG3 GLU 11 3HG GLU 11 -0.323 -4.429 12.322 74 H ASP 12 H ASP 12 1.485 -6.876 9.246 75 HA ASP 12 HA ASP 12 0.109 -5.455 7.124 76 HB2 ASP 12 2HB ASP 12 1.850 -6.663 5.699 77 HB3 ASP 12 3HB ASP 12 2.352 -5.393 6.809 78 H THR 13 H THR 13 -1.944 -6.481 7.414 79 HA THR 13 HA THR 13 -2.357 -9.077 6.151 80 HB THR 13 HB THR 13 -3.965 -7.988 7.692 81 HG1 THR 13 1HG THR 13 -4.961 -8.527 5.090 82 HG21 THR 13 1HG2 THR 13 -5.149 -6.075 7.197 83 HG22 THR 13 2HG2 THR 13 -3.605 -5.711 6.365 84 HG23 THR 13 3HG2 THR 13 -4.994 -6.313 5.440 85 H GLU 14 H GLU 14 -0.674 -8.569 4.473 86 HA GLU 14 HA GLU 14 -1.309 -6.688 2.385 87 HB2 GLU 14 2HB GLU 14 0.389 -7.657 1.085 88 HB3 GLU 14 3HB GLU 14 0.954 -7.751 2.759 89 HG2 GLU 14 2HG GLU 14 0.493 -10.143 2.839 90 HG3 GLU 14 3HG GLU 14 -0.212 -10.093 1.209 91 H GLU 15 H GLU 15 -3.037 -6.843 0.905 92 HA GLU 15 HA GLU 15 -3.561 -9.542 -0.074 93 HB2 GLU 15 2HB GLU 15 -5.166 -8.836 1.821 94 HB3 GLU 15 3HB GLU 15 -5.933 -7.800 0.610 95 HG2 GLU 15 2HG GLU 15 -6.199 -9.825 -0.870 96 HG3 GLU 15 3HG GLU 15 -5.426 -10.812 0.372 97 H LYS 16 H LYS 16 -2.082 -8.342 -1.582 98 HA LYS 16 HA LYS 16 -1.780 -7.907 -3.840 99 HB2 LYS 16 2HB LYS 16 -4.767 -7.585 -4.206 100 HB3 LYS 16 3HB LYS 16 -3.556 -7.945 -5.409 101 HG2 LYS 16 2HG LYS 16 -4.566 -9.758 -3.189 102 HG3 LYS 16 3HG LYS 16 -4.790 -9.979 -4.907 103 HD2 LYS 16 2HD LYS 16 -2.702 -10.933 -5.201 104 HD3 LYS 16 3HD LYS 16 -1.937 -9.940 -3.960 105 HE2 LYS 16 2HE LYS 16 -3.301 -11.223 -2.230 106 HE3 LYS 16 3HE LYS 16 -3.695 -12.365 -3.522 107 HZ1 LYS 16 3HZ LYS 16 -0.972 -11.679 -2.570 108 HZ2 LYS 16 1HZ LYS 16 -1.776 -13.066 -2.253 109 HZ3 LYS 16 2HZ LYS 16 -1.303 -12.732 -3.793 110 H CYS 17 H CYS 17 -1.672 -5.970 -5.340 111 HA CYS 17 HA CYS 17 -1.617 -3.637 -3.653 112 HB2 CYS 17 2HB CYS 17 0.284 -4.368 -5.108 113 HB3 CYS 17 3HB CYS 17 -0.738 -4.022 -6.492 114 H THR 18 H THR 18 -2.755 -1.850 -4.187 115 HA THR 18 HA THR 18 -5.011 -2.164 -6.142 116 HB THR 18 HB THR 18 -5.290 -2.277 -3.482 117 HG1 THR 18 1HG THR 18 -7.436 -2.076 -3.979 118 HG21 THR 18 1HG2 THR 18 -4.704 0.116 -3.184 119 HG22 THR 18 2HG2 THR 18 -6.044 0.547 -4.280 120 HG23 THR 18 3HG2 THR 18 -6.384 -0.242 -2.724 121 H ILE 19 H ILE 19 -2.419 -0.112 -4.960 122 HA ILE 19 HA ILE 19 -3.364 2.283 -6.221 123 HB ILE 19 HB ILE 19 -0.713 1.251 -5.101 124 HG12 ILE 19 2HG1 ILE 19 -1.458 3.433 -3.648 125 HG13 ILE 19 3HG1 ILE 19 -3.049 2.846 -4.067 126 HG21 ILE 19 1HG2 ILE 19 0.154 3.544 -5.291 127 HG22 ILE 19 2HG2 ILE 19 -0.143 2.807 -6.864 128 HG23 ILE 19 3HG2 ILE 19 -1.297 4.007 -6.223 129 HD11 ILE 19 3HD1 ILE 19 -2.252 1.990 -1.906 130 HD12 ILE 19 1HD1 ILE 19 -2.441 0.642 -3.042 131 HD13 ILE 19 2HD1 ILE 19 -0.821 1.280 -2.679 132 H CYS 20 H CYS 20 -1.492 -0.565 -7.167 133 HA CYS 20 HA CYS 20 -1.228 0.565 -9.962 134 HB2 CYS 20 2HB CYS 20 0.203 -1.439 -10.288 135 HB3 CYS 20 3HB CYS 20 0.864 -0.178 -9.229 136 H LEU 21 H LEU 21 -3.677 -0.425 -8.503 137 HA LEU 21 HA LEU 21 -5.336 -1.975 -8.649 138 HB2 LEU 21 2HB LEU 21 -5.026 -0.318 -10.948 139 HB3 LEU 21 3HB LEU 21 -5.873 -1.794 -11.360 140 HG LEU 21 HG LEU 21 -7.124 -1.177 -9.002 141 HD11 LEU 21 1HD1 LEU 21 -6.633 1.462 -10.461 142 HD12 LEU 21 2HD1 LEU 21 -7.629 1.208 -9.007 143 HD13 LEU 21 3HD1 LEU 21 -5.869 1.004 -8.929 144 HD21 LEU 21 3HD2 LEU 21 -8.203 -1.841 -11.079 145 HD22 LEU 21 1HD2 LEU 21 -8.973 -0.385 -10.416 146 HD23 LEU 21 2HD2 LEU 21 -7.856 -0.249 -11.798 147 H SER 22 H SER 22 -3.013 -3.574 -8.560 148 HA SER 22 HA SER 22 -4.050 -5.914 -9.975 149 HB2 SER 22 2HB SER 22 -2.560 -4.490 -11.611 150 HB3 SER 22 3HB SER 22 -1.206 -5.151 -10.671 151 HG SER 22 HG SER 22 -3.084 -6.409 -12.321 152 H ILE 23 H ILE 23 -2.481 -7.862 -9.676 153 HA ILE 23 HA ILE 23 -2.068 -8.168 -6.871 154 HB ILE 23 HB ILE 23 -1.192 -10.349 -7.476 155 HG12 ILE 23 2HG1 ILE 23 -1.856 -11.011 -9.927 156 HG13 ILE 23 3HG1 ILE 23 -1.424 -9.363 -10.348 157 HG21 ILE 23 1HG2 ILE 23 -3.313 -11.210 -8.143 158 HG22 ILE 23 2HG2 ILE 23 -3.577 -9.797 -7.099 159 HG23 ILE 23 3HG2 ILE 23 -3.793 -9.653 -8.858 160 HD11 ILE 23 3HD1 ILE 23 0.346 -11.325 -8.856 161 HD12 ILE 23 1HD1 ILE 23 0.468 -10.935 -10.590 162 HD13 ILE 23 2HD1 ILE 23 0.800 -9.681 -9.376 163 H LEU 24 H LEU 24 -0.170 -8.539 -5.697 164 HA LEU 24 HA LEU 24 2.012 -6.844 -6.441 165 HB2 LEU 24 2HB LEU 24 1.392 -8.821 -4.216 166 HB3 LEU 24 3HB LEU 24 3.035 -8.271 -4.443 167 HG LEU 24 HG LEU 24 0.665 -6.440 -4.069 168 HD11 LEU 24 1HD1 LEU 24 1.488 -6.084 -1.766 169 HD12 LEU 24 2HD1 LEU 24 1.098 -7.792 -2.029 170 HD13 LEU 24 3HD1 LEU 24 2.788 -7.262 -2.042 171 HD21 LEU 24 3HD2 LEU 24 2.487 -5.279 -5.210 172 HD22 LEU 24 1HD2 LEU 24 2.411 -4.721 -3.540 173 HD23 LEU 24 2HD2 LEU 24 3.661 -5.889 -4.025 174 H GLU 25 H GLU 25 4.092 -7.483 -6.720 175 HA GLU 25 HA GLU 25 4.483 -10.032 -8.196 176 HB2 GLU 25 2HB GLU 25 6.388 -8.609 -9.280 177 HB3 GLU 25 3HB GLU 25 4.718 -8.457 -9.856 178 HG2 GLU 25 2HG GLU 25 4.349 -6.461 -8.529 179 HG3 GLU 25 3HG GLU 25 5.940 -6.618 -7.776 180 H GLU 26 H GLU 26 4.995 -11.142 -6.297 181 HA GLU 26 HA GLU 26 6.686 -10.135 -4.273 182 HB2 GLU 26 2HB GLU 26 5.072 -12.314 -4.528 183 HB3 GLU 26 3HB GLU 26 6.633 -13.098 -4.776 184 HG2 GLU 26 2HG GLU 26 5.770 -11.384 -2.403 185 HG3 GLU 26 3HG GLU 26 5.954 -13.139 -2.409 186 H GLY 27 H GLY 27 8.815 -9.754 -4.350 187 HA2 GLY 27 2HA GLY 27 10.875 -11.107 -5.619 188 HA3 GLY 27 3HA GLY 27 10.162 -10.135 -6.919 189 H GLU 28 H GLU 28 9.581 -7.682 -5.860 190 HA GLU 28 HA GLU 28 12.257 -6.694 -5.224 191 HB2 GLU 28 2HB GLU 28 10.139 -5.782 -6.839 192 HB3 GLU 28 3HB GLU 28 10.022 -4.753 -5.433 193 HG2 GLU 28 2HG GLU 28 11.452 -3.705 -7.067 194 HG3 GLU 28 3HG GLU 28 12.446 -4.187 -5.687 195 H ASP 29 H ASP 29 11.772 -4.563 -3.867 196 HA ASP 29 HA ASP 29 11.194 -5.646 -1.161 197 HB2 ASP 29 2HB ASP 29 13.168 -3.970 -1.848 198 HB3 ASP 29 3HB ASP 29 11.936 -2.751 -1.504 199 H VAL 30 H VAL 30 9.234 -5.343 -0.156 200 HA VAL 30 HA VAL 30 7.387 -3.332 -1.299 201 HB VAL 30 HB VAL 30 5.651 -4.703 -0.156 202 HG11 VAL 30 1HG1 VAL 30 6.098 -4.806 -2.531 203 HG12 VAL 30 2HG1 VAL 30 7.280 -6.109 -2.277 204 HG13 VAL 30 3HG1 VAL 30 5.551 -6.371 -1.901 205 HG21 VAL 30 3HG2 VAL 30 7.248 -5.862 1.395 206 HG22 VAL 30 1HG2 VAL 30 6.109 -6.932 0.545 207 HG23 VAL 30 2HG2 VAL 30 7.794 -6.826 -0.004 208 H ARG 31 H ARG 31 5.675 -2.721 0.585 209 HA ARG 31 HA ARG 31 7.007 -2.339 3.101 210 HB2 ARG 31 2HB ARG 31 7.752 -0.486 1.192 211 HB3 ARG 31 3HB ARG 31 6.399 0.324 1.952 212 HG2 ARG 31 2HG ARG 31 8.444 0.987 3.059 213 HG3 ARG 31 3HG ARG 31 7.601 -0.097 4.190 214 HD2 ARG 31 2HD ARG 31 9.013 -1.978 3.478 215 HD3 ARG 31 3HD ARG 31 9.740 -0.997 2.192 216 HE ARG 31 HE ARG 31 10.197 0.257 4.683 217 HH11 ARG 31 2HH2 ARG 31 11.248 -2.535 2.678 218 HH12 ARG 31 1HH2 ARG 31 12.625 -2.868 3.574 219 HH21 ARG 31 2HH1 ARG 31 12.158 -0.168 5.897 220 HH22 ARG 31 1HH1 ARG 31 13.202 -1.461 5.422 221 H ARG 32 H ARG 32 5.560 -1.766 4.798 222 HA ARG 32 HA ARG 32 2.790 -1.473 3.886 223 HB2 ARG 32 2HB ARG 32 2.202 -2.072 6.222 224 HB3 ARG 32 3HB ARG 32 3.004 -3.367 5.359 225 HG2 ARG 32 2HG ARG 32 4.785 -1.618 7.014 226 HG3 ARG 32 3HG ARG 32 3.566 -2.552 7.891 227 HD2 ARG 32 2HD ARG 32 4.334 -4.616 6.671 228 HD3 ARG 32 3HD ARG 32 5.689 -3.680 6.029 229 HE ARG 32 HE ARG 32 5.623 -3.307 8.821 230 HH11 ARG 32 2HH2 ARG 32 5.751 -6.227 6.844 231 HH12 ARG 32 1HH2 ARG 32 6.988 -6.984 7.720 232 HH21 ARG 32 2HH1 ARG 32 6.986 -4.505 10.262 233 HH22 ARG 32 1HH1 ARG 32 7.611 -6.042 9.788 234 H LEU 33 H LEU 33 1.404 0.008 4.886 235 HA LEU 33 HA LEU 33 2.821 2.543 5.461 236 HB2 LEU 33 2HB LEU 33 -0.104 2.506 5.921 237 HB3 LEU 33 3HB LEU 33 0.948 3.689 5.174 238 HG LEU 33 HG LEU 33 1.076 1.888 3.275 239 HD11 LEU 33 1HD1 LEU 33 -1.815 1.468 3.691 240 HD12 LEU 33 2HD1 LEU 33 -0.554 0.291 3.257 241 HD13 LEU 33 3HD1 LEU 33 -0.837 0.697 4.948 242 HD21 LEU 33 3HD2 LEU 33 -0.720 3.113 2.113 243 HD22 LEU 33 1HD2 LEU 33 -1.209 3.835 3.670 244 HD23 LEU 33 2HD2 LEU 33 0.398 4.181 2.985 245 HA PRO 34 HA PRO 34 2.794 1.648 9.805 246 HB2 PRO 34 2HB PRO 34 2.511 4.117 10.998 247 HB3 PRO 34 3HB PRO 34 4.001 3.555 10.179 248 HG2 PRO 34 2HG PRO 34 1.789 5.279 9.046 249 HG3 PRO 34 3HG PRO 34 3.557 5.557 8.956 250 HD2 PRO 34 2HD PRO 34 2.190 4.430 6.896 251 HD3 PRO 34 3HD PRO 34 3.829 3.853 7.326 252 H CYS 35 H CYS 35 -0.010 2.707 8.233 253 HA CYS 35 HA CYS 35 -2.121 2.638 10.179 254 HB2 CYS 35 2HB CYS 35 -2.529 3.137 7.868 255 HB3 CYS 35 3HB CYS 35 -1.836 1.574 7.390 256 H MET 36 H MET 36 -0.454 -0.023 8.442 257 HA MET 36 HA MET 36 -0.234 -2.161 9.912 258 HB2 MET 36 2HB MET 36 -3.228 -1.661 9.643 259 HB3 MET 36 3HB MET 36 -2.564 -3.268 9.476 260 HG2 MET 36 2HG MET 36 -1.349 -2.550 11.802 261 HG3 MET 36 3HG MET 36 -2.853 -1.652 11.936 262 HE1 MET 36 3HE MET 36 -4.999 -4.061 13.640 263 HE2 MET 36 1HE MET 36 -3.892 -2.694 13.912 264 HE3 MET 36 2HE MET 36 -5.110 -2.609 12.615 265 H HIS 37 H HIS 37 -2.495 -1.210 7.292 266 HA HIS 37 HA HIS 37 -2.239 -3.584 5.843 267 HB2 HIS 37 1HB HIS 37 -2.939 -0.811 4.809 268 HB3 HIS 37 2HB HIS 37 -3.214 -2.299 3.937 269 HD2 HIS 37 2HD HIS 37 -4.799 -4.173 5.121 270 HE1 HIS 37 1HE HIS 37 -7.145 -1.423 7.361 271 HE2 HIS 37 2HE HIS 37 -6.964 -3.851 6.568 272 H LEU 38 H LEU 38 -1.242 -4.046 3.730 273 HA LEU 38 HA LEU 38 1.435 -2.759 3.610 274 HB2 LEU 38 2HB LEU 38 1.559 -4.915 4.514 275 HB3 LEU 38 3HB LEU 38 0.744 -5.631 3.116 276 HG LEU 38 HG LEU 38 3.268 -4.051 2.735 277 HD11 LEU 38 1HD1 LEU 38 3.841 -5.532 4.609 278 HD12 LEU 38 2HD1 LEU 38 3.253 -6.935 3.698 279 HD13 LEU 38 3HD1 LEU 38 4.669 -6.038 3.128 280 HD21 LEU 38 3HD2 LEU 38 1.909 -5.223 0.789 281 HD22 LEU 38 1HD2 LEU 38 3.663 -5.465 0.860 282 HD23 LEU 38 2HD2 LEU 38 2.576 -6.716 1.446 283 H PHE 39 H PHE 39 2.459 -2.532 1.606 284 HA PHE 39 HA PHE 39 0.938 -3.178 -0.800 285 HB2 PHE 39 2HB PHE 39 1.470 -0.341 0.137 286 HB3 PHE 39 3HB PHE 39 1.410 -0.666 -1.581 287 HD1 PHE 39 1HD PHE 39 -0.570 -2.372 -2.262 288 HD2 PHE 39 2HD PHE 39 -0.610 0.373 1.037 289 HE1 PHE 39 1HE PHE 39 -3.068 -2.469 -2.218 290 HE2 PHE 39 2HE PHE 39 -3.075 0.297 1.078 291 HZ PHE 39 HZ PHE 39 -4.313 -1.057 -0.670 292 H HIS 40 H HIS 40 2.305 -2.057 -2.693 293 HA HIS 40 HA HIS 40 5.019 -3.101 -2.747 294 HB2 HIS 40 1HB HIS 40 3.211 -1.429 -4.385 295 HB3 HIS 40 2HB HIS 40 4.927 -1.070 -4.596 296 HD2 HIS 40 2HD HIS 40 6.257 -3.769 -5.105 297 HE1 HIS 40 1HE HIS 40 3.517 -3.833 -8.346 298 HE2 HIS 40 2HE HIS 40 5.742 -4.633 -7.526 299 H GLN 41 H GLN 41 6.912 -1.914 -2.314 300 HA GLN 41 HA GLN 41 6.765 0.310 -0.543 301 HB2 GLN 41 2HB GLN 41 8.719 -1.287 -0.704 302 HB3 GLN 41 3HB GLN 41 9.081 -0.670 -2.305 303 HG2 GLN 41 2HG GLN 41 8.915 1.471 -0.264 304 HG3 GLN 41 3HG GLN 41 10.124 0.244 0.116 305 HE21 GLN 41 1HE2 GLN 41 12.139 0.404 -0.891 306 HE22 GLN 41 2HE2 GLN 41 12.401 1.443 -2.284 307 H VAL 42 H VAL 42 7.813 0.138 -3.935 308 HA VAL 42 HA VAL 42 7.966 2.921 -4.239 309 HB VAL 42 HB VAL 42 8.485 0.760 -5.811 310 HG11 VAL 42 1HG1 VAL 42 7.376 0.960 -7.954 311 HG12 VAL 42 2HG1 VAL 42 6.173 0.607 -6.704 312 HG13 VAL 42 3HG1 VAL 42 6.335 2.259 -7.354 313 HG21 VAL 42 3HG2 VAL 42 9.332 2.396 -7.462 314 HG22 VAL 42 1HG2 VAL 42 8.370 3.673 -6.680 315 HG23 VAL 42 2HG2 VAL 42 9.698 2.884 -5.798 316 H CYS 43 H CYS 43 5.162 0.941 -4.038 317 HA CYS 43 HA CYS 43 3.322 2.830 -5.497 318 HB2 CYS 43 2HB CYS 43 2.899 0.466 -3.745 319 HB3 CYS 43 3HB CYS 43 1.626 1.520 -4.301 320 H VAL 44 H VAL 44 4.293 2.054 -2.057 321 HA VAL 44 HA VAL 44 2.238 3.591 -0.915 322 HB VAL 44 HB VAL 44 4.198 1.896 -0.061 323 HG11 VAL 44 1HG1 VAL 44 5.678 2.967 1.502 324 HG12 VAL 44 2HG1 VAL 44 5.956 3.621 -0.118 325 HG13 VAL 44 3HG1 VAL 44 5.053 4.577 1.082 326 HG21 VAL 44 3HG2 VAL 44 2.644 3.889 1.619 327 HG22 VAL 44 1HG2 VAL 44 2.061 2.318 1.009 328 HG23 VAL 44 2HG2 VAL 44 3.371 2.370 2.207 329 H ASP 45 H ASP 45 5.196 4.377 -2.439 330 HA ASP 45 HA ASP 45 5.446 7.120 -1.422 331 HB2 ASP 45 2HB ASP 45 7.453 5.981 -2.200 332 HB3 ASP 45 3HB ASP 45 6.756 5.747 -3.803 333 H GLN 46 H GLN 46 4.860 6.024 -4.818 334 HA GLN 46 HA GLN 46 3.874 8.500 -5.691 335 HB2 GLN 46 2HB GLN 46 2.865 7.293 -7.593 336 HB3 GLN 46 3HB GLN 46 4.525 6.774 -7.266 337 HG2 GLN 46 2HG GLN 46 3.709 4.803 -6.094 338 HG3 GLN 46 3HG GLN 46 2.026 5.275 -6.342 339 HE21 GLN 46 1HE2 GLN 46 1.152 5.223 -8.579 340 HE22 GLN 46 2HE2 GLN 46 1.968 4.184 -9.741 341 H TRP 47 H TRP 47 2.229 6.097 -3.786 342 HA TRP 47 HA TRP 47 -0.419 7.115 -4.170 343 HB2 TRP 47 2HB TRP 47 0.238 4.823 -3.351 344 HB3 TRP 47 3HB TRP 47 0.756 5.539 -1.833 345 HD1 TRP 47 HD1 TRP 47 -0.978 4.802 -0.149 346 HE1 TRP 47 HE1 TRP 47 -3.566 4.869 -0.004 347 HE3 TRP 47 HE3 TRP 47 -2.159 6.383 -4.900 348 HZ2 TRP 47 HZ2 TRP 47 -5.726 5.200 -1.655 349 HZ3 TRP 47 HZ3 TRP 47 -4.501 6.760 -5.507 350 HH2 TRP 47 HH2 TRP 47 -6.344 6.119 -3.946 351 H LEU 48 H LEU 48 1.826 7.371 -1.345 352 HA LEU 48 HA LEU 48 0.470 9.346 -0.009 353 HB2 LEU 48 2HB LEU 48 3.194 8.209 0.005 354 HB3 LEU 48 3HB LEU 48 3.186 9.859 0.492 355 HG LEU 48 HG LEU 48 1.440 7.681 1.718 356 HD11 LEU 48 1HD1 LEU 48 3.860 7.448 2.194 357 HD12 LEU 48 2HD1 LEU 48 3.908 9.125 2.781 358 HD13 LEU 48 3HD1 LEU 48 2.955 7.899 3.653 359 HD21 LEU 48 3HD2 LEU 48 1.819 10.626 2.441 360 HD22 LEU 48 1HD2 LEU 48 0.294 9.813 2.024 361 HD23 LEU 48 2HD2 LEU 48 1.106 9.429 3.542 362 H ILE 49 H ILE 49 2.329 9.891 -2.945 363 HA ILE 49 HA ILE 49 2.533 12.709 -2.730 364 HB ILE 49 HB ILE 49 1.976 10.866 -5.055 365 HG12 ILE 49 2HG1 ILE 49 4.128 10.495 -3.884 366 HG13 ILE 49 3HG1 ILE 49 4.253 10.953 -5.569 367 HG21 ILE 49 1HG2 ILE 49 1.193 12.993 -5.770 368 HG22 ILE 49 2HG2 ILE 49 2.611 13.815 -5.092 369 HG23 ILE 49 3HG2 ILE 49 2.782 12.726 -6.497 370 HD11 ILE 49 3HD1 ILE 49 4.803 13.242 -4.955 371 HD12 ILE 49 1HD1 ILE 49 4.583 12.848 -3.230 372 HD13 ILE 49 2HD1 ILE 49 5.906 12.103 -4.153 373 H THR 50 H THR 50 -0.206 10.713 -4.078 374 HA THR 50 HA THR 50 -1.850 13.158 -4.175 375 HB THR 50 HB THR 50 -3.455 11.594 -5.333 376 HG1 THR 50 1HG THR 50 -2.380 9.597 -6.039 377 HG21 THR 50 1HG2 THR 50 -0.651 11.582 -6.535 378 HG22 THR 50 2HG2 THR 50 -2.193 11.481 -7.409 379 HG23 THR 50 3HG2 THR 50 -1.751 12.979 -6.569 380 H ASN 51 H ASN 51 -2.347 9.794 -3.039 381 HA ASN 51 HA ASN 51 -4.643 10.323 -1.571 382 HB2 ASN 51 2HB ASN 51 -4.583 8.120 -1.076 383 HB3 ASN 51 3HB ASN 51 -3.229 8.091 -2.192 384 HD21 ASN 51 1HD2 ASN 51 -4.189 7.157 0.933 385 HD22 ASN 51 2HD2 ASN 51 -2.582 7.086 1.642 386 H LYS 52 H LYS 52 -5.095 10.433 0.620 387 HA LYS 52 HA LYS 52 -2.878 11.040 2.519 388 HB2 LYS 52 2HB LYS 52 -5.175 12.771 1.771 389 HB3 LYS 52 3HB LYS 52 -5.064 12.475 3.495 390 HG2 LYS 52 2HG LYS 52 -3.879 14.462 3.064 391 HG3 LYS 52 3HG LYS 52 -2.687 13.238 3.487 392 HD2 LYS 52 2HD LYS 52 -3.179 13.436 0.568 393 HD3 LYS 52 3HD LYS 52 -2.628 14.954 1.281 394 HE2 LYS 52 2HE LYS 52 -0.645 13.928 2.205 395 HE3 LYS 52 3HE LYS 52 -1.209 12.312 1.754 396 HZ1 LYS 52 3HZ LYS 52 0.411 13.172 0.193 397 HZ2 LYS 52 1HZ LYS 52 -0.995 12.827 -0.515 398 HZ3 LYS 52 2HZ LYS 52 -0.587 14.400 -0.250 399 H LYS 53 H LYS 53 -5.350 8.807 1.771 400 HA LYS 53 HA LYS 53 -5.675 8.125 4.592 401 HB2 LYS 53 2HB LYS 53 -8.027 8.460 2.658 402 HB3 LYS 53 3HB LYS 53 -8.088 7.876 4.319 403 HG2 LYS 53 2HG LYS 53 -7.113 10.061 5.082 404 HG3 LYS 53 3HG LYS 53 -7.285 10.688 3.443 405 HD2 LYS 53 2HD LYS 53 -9.585 9.642 5.145 406 HD3 LYS 53 3HD LYS 53 -9.109 11.343 4.991 407 HE2 LYS 53 2HE LYS 53 -9.206 10.418 2.341 408 HE3 LYS 53 3HE LYS 53 -10.591 9.623 3.101 409 HZ1 LYS 53 3HZ LYS 53 -10.013 12.523 3.142 410 HZ2 LYS 53 1HZ LYS 53 -11.159 11.804 2.207 411 HZ3 LYS 53 2HZ LYS 53 -11.309 11.820 3.854 412 H CYS 54 H CYS 54 -6.527 5.999 4.836 413 HA CYS 54 HA CYS 54 -4.746 4.254 3.312 414 HB2 CYS 54 2HB CYS 54 -5.332 4.030 5.706 415 HB3 CYS 54 3HB CYS 54 -7.005 3.691 5.234 416 HA PRO 55 HA PRO 55 -7.718 3.609 0.064 417 HB2 PRO 55 2HB PRO 55 -6.558 1.602 -1.341 418 HB3 PRO 55 3HB PRO 55 -5.830 3.198 -1.263 419 HG2 PRO 55 2HG PRO 55 -5.182 0.796 0.415 420 HG3 PRO 55 3HG PRO 55 -4.044 1.870 -0.486 421 HD2 PRO 55 2HD PRO 55 -4.584 2.152 2.178 422 HD3 PRO 55 3HD PRO 55 -4.225 3.542 1.179 423 H ILE 56 H ILE 56 -6.930 1.312 2.561 424 HA ILE 56 HA ILE 56 -9.129 -0.514 1.782 425 HB ILE 56 HB ILE 56 -6.777 -0.839 3.645 426 HG12 ILE 56 2HG1 ILE 56 -7.427 -2.713 1.388 427 HG13 ILE 56 3HG1 ILE 56 -6.903 -1.104 0.896 428 HG21 ILE 56 1HG2 ILE 56 -7.633 -3.203 3.873 429 HG22 ILE 56 2HG2 ILE 56 -8.670 -2.006 4.667 430 HG23 ILE 56 3HG2 ILE 56 -9.143 -2.689 3.100 431 HD11 ILE 56 3HD1 ILE 56 -4.989 -2.611 1.118 432 HD12 ILE 56 1HD1 ILE 56 -4.907 -1.265 2.282 433 HD13 ILE 56 2HD1 ILE 56 -5.402 -2.892 2.824 434 H CYS 57 H CYS 57 -7.736 0.755 4.888 435 HA CYS 57 HA CYS 57 -10.337 0.567 6.213 436 HB2 CYS 57 2HB CYS 57 -9.096 1.595 8.085 437 HB3 CYS 57 3HB CYS 57 -8.500 0.068 7.542 438 H ARG 58 H ARG 58 -8.973 3.031 4.174 439 HA ARG 58 HA ARG 58 -9.775 5.053 3.573 440 HB2 ARG 58 2HB ARG 58 -11.820 3.314 3.643 441 HB3 ARG 58 3HB ARG 58 -12.449 4.486 4.794 442 HG2 ARG 58 2HG ARG 58 -11.512 5.074 1.936 443 HG3 ARG 58 3HG ARG 58 -13.192 4.855 2.454 444 HD2 ARG 58 2HD ARG 58 -12.883 6.757 4.053 445 HD3 ARG 58 3HD ARG 58 -11.304 7.082 3.288 446 HE ARG 58 HE ARG 58 -12.989 7.048 1.165 447 HH11 ARG 58 2HH2 ARG 58 -13.106 8.702 4.270 448 HH12 ARG 58 1HH2 ARG 58 -14.096 10.019 3.739 449 HH21 ARG 58 2HH1 ARG 58 -14.253 8.847 0.375 450 HH22 ARG 58 1HH1 ARG 58 -14.711 10.129 1.429 451 H VAL 59 H VAL 59 -8.423 4.951 6.218 452 HA VAL 59 HA VAL 59 -9.531 7.533 7.186 453 HB VAL 59 HB VAL 59 -9.087 7.017 9.368 454 HG11 VAL 59 1HG1 VAL 59 -10.445 5.082 9.855 455 HG12 VAL 59 2HG1 VAL 59 -11.047 5.797 8.334 456 HG13 VAL 59 3HG1 VAL 59 -10.003 4.350 8.297 457 HG21 VAL 59 3HG2 VAL 59 -7.983 4.900 10.169 458 HG22 VAL 59 1HG2 VAL 59 -7.496 4.589 8.486 459 HG23 VAL 59 2HG2 VAL 59 -6.921 6.044 9.343 460 H ASP 60 H ASP 60 -7.860 8.994 8.098 461 HA ASP 60 HA ASP 60 -5.685 9.078 6.325 462 HB2 ASP 60 2HB ASP 60 -5.873 10.561 8.989 463 HB3 ASP 60 3HB ASP 60 -5.033 11.020 7.531 464 H ILE 61 H ILE 61 -3.656 8.247 6.461 465 HA ILE 61 HA ILE 61 -3.094 6.131 7.946 466 HB ILE 61 HB ILE 61 -0.999 8.096 7.011 467 HG12 ILE 61 2HG1 ILE 61 -1.313 6.100 5.073 468 HG13 ILE 61 3HG1 ILE 61 -2.974 6.403 5.541 469 HG21 ILE 61 1HG2 ILE 61 -1.004 5.085 7.374 470 HG22 ILE 61 2HG2 ILE 61 0.342 6.055 6.708 471 HG23 ILE 61 3HG2 ILE 61 -0.155 6.265 8.397 472 HD11 ILE 61 3HD1 ILE 61 -0.899 8.381 4.521 473 HD12 ILE 61 1HD1 ILE 61 -2.433 7.914 3.746 474 HD13 ILE 61 2HD1 ILE 61 -2.430 8.900 5.231 475 H GLU 62 H GLU 62 -2.651 9.434 8.960 476 HA GLU 62 HA GLU 62 -2.109 10.479 10.867 477 HB2 GLU 62 2HB GLU 62 -4.106 8.868 11.454 478 HB3 GLU 62 3HB GLU 62 -2.934 8.124 12.538 479 HG2 GLU 62 2HG GLU 62 -3.791 11.054 12.426 480 HG3 GLU 62 3HG GLU 62 -4.260 9.884 13.656 481 H ALA 63 H ALA 63 0.014 10.726 10.556 482 HA ALA 63 HA ALA 63 1.758 8.991 12.206 483 HB1 ALA 63 1HB ALA 63 1.991 8.083 9.935 484 HB2 ALA 63 2HB ALA 63 2.414 9.704 9.323 485 HB3 ALA 63 3HB ALA 63 3.484 8.882 10.487 486 H GLN 64 H GLN 64 3.291 10.042 13.261 487 HA GLN 64 HA GLN 64 3.122 12.969 13.237 488 HB2 GLN 64 2HB GLN 64 3.106 11.357 15.288 489 HB3 GLN 64 3HB GLN 64 4.856 11.298 15.098 490 HG2 GLN 64 2HG GLN 64 3.148 13.803 15.506 491 HG3 GLN 64 3HG GLN 64 4.097 12.989 16.752 492 HE21 GLN 64 1HE2 GLN 64 4.237 15.195 13.980 493 HE22 GLN 64 2HE2 GLN 64 5.978 15.377 14.010 494 H LEU 65 H LEU 65 4.141 13.522 11.290 495 HA LEU 65 HA LEU 65 6.592 12.457 10.403 496 HB2 LEU 65 2HB LEU 65 6.736 14.400 8.918 497 HB3 LEU 65 3HB LEU 65 5.145 13.663 8.912 498 HG LEU 65 HG LEU 65 5.064 15.727 10.919 499 HD11 LEU 65 1HD1 LEU 65 5.635 17.717 9.595 500 HD12 LEU 65 2HD1 LEU 65 7.068 16.708 9.837 501 HD13 LEU 65 3HD1 LEU 65 6.228 16.693 8.268 502 HD21 LEU 65 3HD2 LEU 65 3.180 14.930 9.557 503 HD22 LEU 65 1HD2 LEU 65 3.378 16.688 9.445 504 HD23 LEU 65 2HD2 LEU 65 3.920 15.650 8.106 505 HA PRO 66 HA PRO 66 9.427 14.630 13.148 506 HB2 PRO 66 2HB PRO 66 11.763 13.549 12.339 507 HB3 PRO 66 3HB PRO 66 10.488 12.522 13.033 508 HG2 PRO 66 2HG PRO 66 11.012 12.988 10.071 509 HG3 PRO 66 3HG PRO 66 10.884 11.424 10.936 510 HD2 PRO 66 2HD PRO 66 8.748 12.602 9.663 511 HD3 PRO 66 3HD PRO 66 8.555 11.625 11.154 512 H SER 67 H SER 67 11.961 14.801 10.882 513 HA SER 67 HA SER 67 11.146 17.332 9.685 514 HB2 SER 67 2HB SER 67 11.467 18.038 11.970 515 HB3 SER 67 3HB SER 67 12.953 17.095 12.123 516 HG SER 67 HG SER 67 13.926 18.443 10.608 517 H GLU 68 H GLU 68 11.801 16.256 7.761 518 HA GLU 68 HA GLU 68 14.691 16.012 7.365 519 HB2 GLU 68 2HB GLU 68 12.944 13.750 7.570 520 HB3 GLU 68 3HB GLU 68 13.246 13.965 5.850 521 HG2 GLU 68 2HG GLU 68 15.424 13.833 7.988 522 HG3 GLU 68 3HG GLU 68 14.845 12.437 7.078 523 H SER 69 H SER 69 15.072 16.214 4.933 524 HA SER 69 HA SER 69 13.299 18.410 4.071 525 HB2 SER 69 2HB SER 69 15.827 18.621 4.303 526 HB3 SER 69 3HB SER 69 15.969 17.512 2.921 527 HG SER 69 HG SER 69 14.525 19.032 1.837 Start of MODEL 30 1 H1 MET 1 H1 MET 1 -11.421 -8.878 15.814 2 H2 MET 1 H2 MET 1 -11.745 -10.275 15.006 3 H3 MET 1 H3 MET 1 -10.479 -10.202 16.068 4 HA MET 1 HA MET 1 -9.616 -10.122 13.866 5 HB2 MET 1 2HB MET 1 -10.200 -8.330 12.342 6 HB3 MET 1 3HB MET 1 -11.580 -9.350 12.709 7 HG2 MET 1 2HG MET 1 -11.106 -6.573 13.879 8 HG3 MET 1 3HG MET 1 -12.133 -6.959 12.520 9 HE1 MET 1 3HE MET 1 -13.938 -5.527 13.590 10 HE2 MET 1 1HE MET 1 -14.700 -5.834 15.167 11 HE3 MET 1 2HE MET 1 -13.028 -5.235 15.089 12 H LYS 2 H LYS 2 -8.175 -9.896 15.912 13 HA LYS 2 HA LYS 2 -6.624 -7.537 15.475 14 HB2 LYS 2 2HB LYS 2 -8.183 -7.892 18.046 15 HB3 LYS 2 3HB LYS 2 -6.488 -7.525 18.215 16 HG2 LYS 2 2HG LYS 2 -7.286 -5.437 18.262 17 HG3 LYS 2 3HG LYS 2 -6.894 -5.553 16.554 18 HD2 LYS 2 2HD LYS 2 -9.103 -5.299 15.941 19 HD3 LYS 2 3HD LYS 2 -9.683 -6.359 17.242 20 HE2 LYS 2 2HE LYS 2 -10.516 -4.177 17.700 21 HE3 LYS 2 3HE LYS 2 -9.203 -4.468 18.852 22 HZ1 LYS 2 3HZ LYS 2 -7.752 -3.205 17.349 23 HZ2 LYS 2 1HZ LYS 2 -9.025 -2.891 16.359 24 HZ3 LYS 2 2HZ LYS 2 -9.011 -2.290 17.892 25 H GLN 3 H GLN 3 -4.597 -7.894 17.029 26 HA GLN 3 HA GLN 3 -3.620 -10.530 16.461 27 HB2 GLN 3 2HB GLN 3 -1.563 -9.754 17.514 28 HB3 GLN 3 3HB GLN 3 -2.208 -8.574 16.375 29 HG2 GLN 3 2HG GLN 3 -3.293 -7.491 18.558 30 HG3 GLN 3 3HG GLN 3 -2.029 -8.406 19.386 31 HE21 GLN 3 1HE2 GLN 3 -2.537 -5.338 18.588 32 HE22 GLN 3 2HE2 GLN 3 -0.954 -4.933 17.927 33 H ASP 4 H ASP 4 -5.067 -11.961 17.453 34 HA ASP 4 HA ASP 4 -4.399 -12.545 20.222 35 HB2 ASP 4 2HB ASP 4 -6.659 -12.625 21.023 36 HB3 ASP 4 3HB ASP 4 -6.355 -11.006 20.412 37 H GLY 5 H GLY 5 -5.414 -14.747 20.783 38 HA2 GLY 5 2HA GLY 5 -5.893 -16.949 20.215 39 HA3 GLY 5 3HA GLY 5 -6.156 -16.438 18.543 40 H GLU 6 H GLU 6 -3.717 -17.333 20.926 41 HA GLU 6 HA GLU 6 -1.579 -18.098 20.765 42 HB2 GLU 6 2HB GLU 6 -3.452 -19.844 20.211 43 HB3 GLU 6 3HB GLU 6 -2.662 -19.940 18.639 44 HG2 GLU 6 2HG GLU 6 -0.526 -20.531 19.757 45 HG3 GLU 6 3HG GLU 6 -1.262 -20.252 21.340 46 H GLU 7 H GLU 7 -0.866 -15.998 19.828 47 HA GLU 7 HA GLU 7 0.337 -14.728 18.434 48 HB2 GLU 7 2HB GLU 7 1.548 -17.409 18.154 49 HB3 GLU 7 3HB GLU 7 1.909 -16.322 16.811 50 HG2 GLU 7 2HG GLU 7 2.631 -14.566 18.386 51 HG3 GLU 7 3HG GLU 7 2.289 -15.642 19.748 52 H GLY 8 H GLY 8 -2.107 -14.662 17.726 53 HA2 GLY 8 2HA GLY 8 -2.451 -15.047 14.860 54 HA3 GLY 8 3HA GLY 8 -3.479 -14.095 15.947 55 H THR 9 H THR 9 -1.085 -13.875 13.482 56 HA THR 9 HA THR 9 -0.295 -11.150 14.138 57 HB THR 9 HB THR 9 1.140 -12.635 12.866 58 HG1 THR 9 1HG THR 9 0.777 -10.415 11.206 59 HG21 THR 9 1HG2 THR 9 -0.704 -12.048 10.536 60 HG22 THR 9 2HG2 THR 9 0.806 -12.991 10.510 61 HG23 THR 9 3HG2 THR 9 -0.615 -13.602 11.391 62 H GLU 10 H GLU 10 -1.450 -9.338 13.699 63 HA GLU 10 HA GLU 10 -3.509 -9.233 11.616 64 HB2 GLU 10 2HB GLU 10 -4.111 -9.735 14.447 65 HB3 GLU 10 3HB GLU 10 -4.926 -8.290 13.883 66 HG2 GLU 10 2HG GLU 10 -5.110 -10.818 12.233 67 HG3 GLU 10 3HG GLU 10 -6.062 -10.649 13.700 68 H GLU 11 H GLU 11 -1.059 -8.059 11.622 69 HA GLU 11 HA GLU 11 -1.830 -5.237 12.139 70 HB2 GLU 11 2HB GLU 11 -0.070 -6.232 13.741 71 HB3 GLU 11 3HB GLU 11 1.037 -6.194 12.361 72 HG2 GLU 11 2HG GLU 11 0.678 -3.729 12.168 73 HG3 GLU 11 3HG GLU 11 -0.506 -3.803 13.479 74 H ASP 12 H ASP 12 -1.099 -7.587 9.823 75 HA ASP 12 HA ASP 12 -0.255 -5.719 7.720 76 HB2 ASP 12 2HB ASP 12 1.736 -7.150 7.410 77 HB3 ASP 12 3HB ASP 12 1.761 -6.352 8.972 78 H THR 13 H THR 13 -2.551 -6.487 7.223 79 HA THR 13 HA THR 13 -2.765 -9.199 6.139 80 HB THR 13 HB THR 13 -4.715 -8.185 7.106 81 HG1 THR 13 1HG THR 13 -4.954 -8.358 4.284 82 HG21 THR 13 1HG2 THR 13 -5.816 -6.267 5.886 83 HG22 THR 13 2HG2 THR 13 -4.353 -5.847 6.802 84 HG23 THR 13 3HG2 THR 13 -4.262 -6.021 5.043 85 H GLU 14 H GLU 14 -0.635 -8.622 4.969 86 HA GLU 14 HA GLU 14 -0.548 -7.005 2.672 87 HB2 GLU 14 2HB GLU 14 1.492 -7.974 3.493 88 HB3 GLU 14 3HB GLU 14 0.830 -9.608 3.492 89 HG2 GLU 14 2HG GLU 14 0.944 -9.789 1.100 90 HG3 GLU 14 3HG GLU 14 1.230 -8.057 0.913 91 H GLU 15 H GLU 15 -1.916 -7.047 0.968 92 HA GLU 15 HA GLU 15 -2.522 -9.627 -0.242 93 HB2 GLU 15 2HB GLU 15 -4.430 -7.759 1.020 94 HB3 GLU 15 3HB GLU 15 -4.833 -8.065 -0.661 95 HG2 GLU 15 2HG GLU 15 -4.553 -10.564 -0.165 96 HG3 GLU 15 3HG GLU 15 -4.527 -10.119 1.552 97 H LYS 16 H LYS 16 -3.870 -8.951 -2.372 98 HA LYS 16 HA LYS 16 -2.128 -8.084 -4.281 99 HB2 LYS 16 2HB LYS 16 -4.154 -7.643 -5.703 100 HB3 LYS 16 3HB LYS 16 -4.084 -9.235 -4.913 101 HG2 LYS 16 2HG LYS 16 -5.629 -8.588 -3.221 102 HG3 LYS 16 3HG LYS 16 -5.594 -6.895 -3.740 103 HD2 LYS 16 2HD LYS 16 -6.666 -7.470 -5.850 104 HD3 LYS 16 3HD LYS 16 -6.600 -9.208 -5.449 105 HE2 LYS 16 2HE LYS 16 -8.040 -8.859 -3.495 106 HE3 LYS 16 3HE LYS 16 -8.030 -7.110 -3.758 107 HZ1 LYS 16 3HZ LYS 16 -9.172 -7.463 -5.841 108 HZ2 LYS 16 1HZ LYS 16 -9.177 -9.097 -5.614 109 HZ3 LYS 16 2HZ LYS 16 -10.032 -8.122 -4.602 110 H CYS 17 H CYS 17 -1.513 -6.100 -5.320 111 HA CYS 17 HA CYS 17 -1.733 -3.789 -3.689 112 HB2 CYS 17 2HB CYS 17 0.154 -4.442 -5.257 113 HB3 CYS 17 3HB CYS 17 -0.891 -3.872 -6.565 114 H THR 18 H THR 18 -2.992 -2.054 -4.022 115 HA THR 18 HA THR 18 -5.258 -2.376 -5.958 116 HB THR 18 HB THR 18 -5.602 -2.550 -3.385 117 HG1 THR 18 1HG THR 18 -7.258 -1.194 -5.248 118 HG21 THR 18 1HG2 THR 18 -6.028 0.400 -3.946 119 HG22 THR 18 2HG2 THR 18 -6.443 -0.470 -2.453 120 HG23 THR 18 3HG2 THR 18 -4.735 -0.270 -2.918 121 H ILE 19 H ILE 19 -2.681 -0.272 -4.826 122 HA ILE 19 HA ILE 19 -3.621 2.020 -6.286 123 HB ILE 19 HB ILE 19 -0.934 1.126 -5.150 124 HG12 ILE 19 2HG1 ILE 19 -1.715 3.393 -3.821 125 HG13 ILE 19 3HG1 ILE 19 -3.292 2.712 -4.113 126 HG21 ILE 19 1HG2 ILE 19 -0.175 3.441 -5.537 127 HG22 ILE 19 2HG2 ILE 19 -0.491 2.562 -7.034 128 HG23 ILE 19 3HG2 ILE 19 -1.675 3.760 -6.453 129 HD11 ILE 19 3HD1 ILE 19 -0.933 1.258 -2.810 130 HD12 ILE 19 1HD1 ILE 19 -2.259 2.052 -1.947 131 HD13 ILE 19 2HD1 ILE 19 -2.593 0.634 -2.966 132 H CYS 20 H CYS 20 -1.657 -0.886 -6.933 133 HA CYS 20 HA CYS 20 -1.147 -0.039 -9.758 134 HB2 CYS 20 2HB CYS 20 -0.542 -2.621 -8.378 135 HB3 CYS 20 3HB CYS 20 -0.046 -2.144 -9.997 136 H LEU 21 H LEU 21 -3.966 -0.846 -8.348 137 HA LEU 21 HA LEU 21 -5.673 -2.332 -8.690 138 HB2 LEU 21 2HB LEU 21 -5.193 -0.798 -11.133 139 HB3 LEU 21 3HB LEU 21 -6.304 -2.156 -11.252 140 HG LEU 21 HG LEU 21 -7.278 -1.164 -8.983 141 HD11 LEU 21 1HD1 LEU 21 -7.340 1.265 -9.043 142 HD12 LEU 21 2HD1 LEU 21 -5.648 0.730 -9.009 143 HD13 LEU 21 3HD1 LEU 21 -6.361 1.299 -10.531 144 HD21 LEU 21 3HD2 LEU 21 -8.544 -1.681 -11.005 145 HD22 LEU 21 1HD2 LEU 21 -9.020 -0.099 -10.364 146 HD23 LEU 21 2HD2 LEU 21 -7.953 -0.198 -11.788 147 H SER 22 H SER 22 -3.461 -3.976 -8.441 148 HA SER 22 HA SER 22 -4.254 -6.334 -9.892 149 HB2 SER 22 2HB SER 22 -1.891 -4.749 -10.926 150 HB3 SER 22 3HB SER 22 -1.809 -6.517 -10.936 151 HG SER 22 HG SER 22 -3.919 -5.014 -12.072 152 H ILE 23 H ILE 23 -2.867 -8.225 -9.350 153 HA ILE 23 HA ILE 23 -2.111 -8.372 -6.686 154 HB ILE 23 HB ILE 23 -1.037 -10.478 -7.334 155 HG12 ILE 23 2HG1 ILE 23 -1.842 -11.257 -9.695 156 HG13 ILE 23 3HG1 ILE 23 -1.694 -9.576 -10.175 157 HG21 ILE 23 1HG2 ILE 23 -3.831 -10.054 -8.430 158 HG22 ILE 23 2HG2 ILE 23 -3.105 -11.575 -7.857 159 HG23 ILE 23 3HG2 ILE 23 -3.392 -10.263 -6.714 160 HD11 ILE 23 3HD1 ILE 23 0.354 -10.916 -10.604 161 HD12 ILE 23 1HD1 ILE 23 0.648 -9.566 -9.491 162 HD13 ILE 23 2HD1 ILE 23 0.486 -11.224 -8.855 163 H LEU 24 H LEU 24 -0.071 -8.590 -5.648 164 HA LEU 24 HA LEU 24 1.864 -6.668 -6.489 165 HB2 LEU 24 2HB LEU 24 1.565 -8.747 -4.292 166 HB3 LEU 24 3HB LEU 24 3.146 -8.067 -4.593 167 HG LEU 24 HG LEU 24 0.674 -6.430 -4.013 168 HD11 LEU 24 1HD1 LEU 24 1.658 -6.080 -1.754 169 HD12 LEU 24 2HD1 LEU 24 1.292 -7.782 -2.044 170 HD13 LEU 24 3HD1 LEU 24 2.969 -7.212 -2.154 171 HD21 LEU 24 3HD2 LEU 24 2.303 -4.605 -3.558 172 HD22 LEU 24 1HD2 LEU 24 3.625 -5.672 -4.084 173 HD23 LEU 24 2HD2 LEU 24 2.380 -5.147 -5.235 174 H GLU 25 H GLU 25 4.092 -7.181 -6.753 175 HA GLU 25 HA GLU 25 4.549 -9.615 -8.393 176 HB2 GLU 25 2HB GLU 25 6.223 -8.160 -9.642 177 HB3 GLU 25 3HB GLU 25 4.498 -7.913 -9.971 178 HG2 GLU 25 2HG GLU 25 4.431 -6.028 -8.416 179 HG3 GLU 25 3HG GLU 25 6.154 -6.218 -8.071 180 H GLU 26 H GLU 26 5.314 -10.809 -6.659 181 HA GLU 26 HA GLU 26 7.140 -9.869 -4.714 182 HB2 GLU 26 2HB GLU 26 6.486 -12.634 -5.798 183 HB3 GLU 26 3HB GLU 26 7.603 -12.360 -4.444 184 HG2 GLU 26 2HG GLU 26 5.847 -11.279 -3.139 185 HG3 GLU 26 3HG GLU 26 4.716 -11.375 -4.493 186 H GLY 27 H GLY 27 8.968 -8.858 -5.410 187 HA2 GLY 27 2HA GLY 27 11.065 -10.333 -6.765 188 HA3 GLY 27 3HA GLY 27 10.212 -9.237 -7.865 189 H GLU 28 H GLU 28 9.688 -6.997 -6.190 190 HA GLU 28 HA GLU 28 12.404 -6.101 -5.425 191 HB2 GLU 28 2HB GLU 28 10.321 -4.951 -7.061 192 HB3 GLU 28 3HB GLU 28 10.429 -3.980 -5.639 193 HG2 GLU 28 2HG GLU 28 12.805 -4.772 -7.405 194 HG3 GLU 28 3HG GLU 28 11.904 -3.264 -7.576 195 H ASP 29 H ASP 29 11.696 -4.079 -3.845 196 HA ASP 29 HA ASP 29 10.933 -5.602 -1.437 197 HB2 ASP 29 2HB ASP 29 12.693 -3.346 -1.984 198 HB3 ASP 29 3HB ASP 29 11.510 -2.887 -0.761 199 H VAL 30 H VAL 30 9.163 -5.180 -0.143 200 HA VAL 30 HA VAL 30 7.192 -3.264 -1.220 201 HB VAL 30 HB VAL 30 5.550 -4.648 -0.101 202 HG11 VAL 30 1HG1 VAL 30 7.197 -6.037 -2.213 203 HG12 VAL 30 2HG1 VAL 30 5.483 -6.363 -1.811 204 HG13 VAL 30 3HG1 VAL 30 5.962 -4.782 -2.453 205 HG21 VAL 30 3HG2 VAL 30 6.054 -6.892 0.609 206 HG22 VAL 30 1HG2 VAL 30 7.749 -6.713 0.105 207 HG23 VAL 30 2HG2 VAL 30 7.125 -5.769 1.484 208 H ARG 31 H ARG 31 5.594 -2.627 0.653 209 HA ARG 31 HA ARG 31 6.902 -2.311 3.194 210 HB2 ARG 31 2HB ARG 31 7.658 -0.452 1.293 211 HB3 ARG 31 3HB ARG 31 6.357 0.379 2.106 212 HG2 ARG 31 2HG ARG 31 8.409 1.000 3.174 213 HG3 ARG 31 3HG ARG 31 7.579 -0.087 4.303 214 HD2 ARG 31 2HD ARG 31 8.989 -1.950 3.614 215 HD3 ARG 31 3HD ARG 31 9.701 -1.022 2.301 216 HE ARG 31 HE ARG 31 10.325 -0.933 5.148 217 HH11 ARG 31 2HH2 ARG 31 10.902 0.585 1.969 218 HH12 ARG 31 1HH2 ARG 31 12.156 1.597 2.507 219 HH21 ARG 31 2HH1 ARG 31 12.103 0.352 5.856 220 HH22 ARG 31 1HH1 ARG 31 12.895 1.425 4.762 221 H ARG 32 H ARG 32 5.419 -1.741 4.865 222 HA ARG 32 HA ARG 32 2.661 -1.499 3.914 223 HB2 ARG 32 2HB ARG 32 2.083 -1.837 6.340 224 HB3 ARG 32 3HB ARG 32 2.860 -3.219 5.597 225 HG2 ARG 32 2HG ARG 32 4.703 -1.310 6.975 226 HG3 ARG 32 3HG ARG 32 3.552 -2.171 8.008 227 HD2 ARG 32 2HD ARG 32 4.266 -4.329 7.139 228 HD3 ARG 32 3HD ARG 32 5.390 -3.546 6.009 229 HE ARG 32 HE ARG 32 5.947 -2.676 8.652 230 HH11 ARG 32 2HH2 ARG 32 6.103 -5.653 6.757 231 HH12 ARG 32 1HH2 ARG 32 7.464 -6.312 7.584 232 HH21 ARG 32 2HH1 ARG 32 7.764 -3.546 9.809 233 HH22 ARG 32 1HH1 ARG 32 8.426 -5.078 9.373 234 H LEU 33 H LEU 33 1.208 0.007 4.915 235 HA LEU 33 HA LEU 33 2.569 2.625 5.231 236 HB2 LEU 33 2HB LEU 33 -0.304 2.589 5.867 237 HB3 LEU 33 3HB LEU 33 0.667 3.688 4.910 238 HG LEU 33 HG LEU 33 0.571 1.551 3.267 239 HD11 LEU 33 1HD1 LEU 33 -1.156 0.652 5.060 240 HD12 LEU 33 2HD1 LEU 33 -2.268 1.797 4.297 241 HD13 LEU 33 3HD1 LEU 33 -1.538 0.487 3.340 242 HD21 LEU 33 3HD2 LEU 33 -1.078 2.829 1.981 243 HD22 LEU 33 1HD2 LEU 33 -1.395 3.849 3.409 244 HD23 LEU 33 2HD2 LEU 33 0.208 3.863 2.641 245 HA PRO 34 HA PRO 34 2.797 2.067 9.614 246 HB2 PRO 34 2HB PRO 34 1.924 4.659 10.487 247 HB3 PRO 34 3HB PRO 34 3.584 4.055 10.271 248 HG2 PRO 34 2HG PRO 34 2.060 5.880 8.544 249 HG3 PRO 34 3HG PRO 34 3.795 5.501 8.514 250 HD2 PRO 34 2HD PRO 34 1.812 4.613 6.679 251 HD3 PRO 34 3HD PRO 34 3.499 4.034 6.791 252 H CYS 35 H CYS 35 -0.190 2.811 8.132 253 HA CYS 35 HA CYS 35 -2.204 2.669 10.141 254 HB2 CYS 35 2HB CYS 35 -2.703 3.133 7.842 255 HB3 CYS 35 3HB CYS 35 -1.997 1.581 7.356 256 H MET 36 H MET 36 -0.519 0.025 8.411 257 HA MET 36 HA MET 36 -0.286 -2.112 9.873 258 HB2 MET 36 2HB MET 36 -3.252 -1.516 9.784 259 HB3 MET 36 3HB MET 36 -2.715 -3.150 9.486 260 HG2 MET 36 2HG MET 36 -1.535 -3.275 11.570 261 HG3 MET 36 3HG MET 36 -1.876 -1.631 11.986 262 HE1 MET 36 3HE MET 36 -5.482 -1.555 13.144 263 HE2 MET 36 1HE MET 36 -3.861 -0.824 13.234 264 HE3 MET 36 2HE MET 36 -4.712 -0.901 11.676 265 H HIS 37 H HIS 37 -2.687 -1.305 7.310 266 HA HIS 37 HA HIS 37 -2.355 -3.707 5.927 267 HB2 HIS 37 1HB HIS 37 -3.105 -1.054 4.680 268 HB3 HIS 37 2HB HIS 37 -3.436 -2.622 4.021 269 HD2 HIS 37 2HD HIS 37 -5.233 -4.183 5.083 270 HE1 HIS 37 1HE HIS 37 -7.295 -1.307 7.416 271 HE2 HIS 37 2HE HIS 37 -7.327 -3.729 6.584 272 H LEU 38 H LEU 38 -1.167 -4.372 4.073 273 HA LEU 38 HA LEU 38 1.305 -2.777 3.759 274 HB2 LEU 38 2HB LEU 38 1.626 -4.900 4.766 275 HB3 LEU 38 3HB LEU 38 0.939 -5.731 3.372 276 HG LEU 38 HG LEU 38 3.280 -3.893 2.998 277 HD11 LEU 38 1HD1 LEU 38 3.963 -5.248 4.916 278 HD12 LEU 38 2HD1 LEU 38 3.477 -6.730 4.074 279 HD13 LEU 38 3HD1 LEU 38 4.836 -5.774 3.461 280 HD21 LEU 38 3HD2 LEU 38 3.854 -5.395 1.192 281 HD22 LEU 38 1HD2 LEU 38 2.765 -6.627 1.801 282 HD23 LEU 38 2HD2 LEU 38 2.102 -5.201 1.041 283 H PHE 39 H PHE 39 2.378 -2.581 1.731 284 HA PHE 39 HA PHE 39 0.893 -3.334 -0.670 285 HB2 PHE 39 2HB PHE 39 1.238 -0.457 0.238 286 HB3 PHE 39 3HB PHE 39 1.197 -0.813 -1.475 287 HD1 PHE 39 1HD PHE 39 -0.672 -2.535 -2.225 288 HD2 PHE 39 2HD PHE 39 -0.865 -0.044 1.265 289 HE1 PHE 39 1HE PHE 39 -3.164 -2.792 -2.177 290 HE2 PHE 39 2HE PHE 39 -3.333 -0.275 1.296 291 HZ PHE 39 HZ PHE 39 -4.485 -1.550 -0.562 292 H HIS 40 H HIS 40 2.237 -2.116 -2.573 293 HA HIS 40 HA HIS 40 4.985 -3.044 -2.614 294 HB2 HIS 40 1HB HIS 40 3.150 -1.362 -4.218 295 HB3 HIS 40 2HB HIS 40 4.858 -0.984 -4.422 296 HD2 HIS 40 2HD HIS 40 6.253 -3.594 -5.041 297 HE1 HIS 40 1HE HIS 40 3.479 -3.613 -8.254 298 HE2 HIS 40 2HE HIS 40 5.716 -4.377 -7.508 299 H GLN 41 H GLN 41 6.896 -1.788 -2.183 300 HA GLN 41 HA GLN 41 6.604 0.466 -0.457 301 HB2 GLN 41 2HB GLN 41 8.714 -1.039 -0.667 302 HB3 GLN 41 3HB GLN 41 9.062 -0.201 -2.172 303 HG2 GLN 41 2HG GLN 41 8.543 1.917 -0.367 304 HG3 GLN 41 3HG GLN 41 9.340 0.723 0.636 305 HE21 GLN 41 1HE2 GLN 41 9.741 2.396 -2.559 306 HE22 GLN 41 2HE2 GLN 41 11.486 2.467 -2.407 307 H VAL 42 H VAL 42 7.624 0.193 -3.857 308 HA VAL 42 HA VAL 42 7.801 3.006 -4.270 309 HB VAL 42 HB VAL 42 8.497 0.803 -5.640 310 HG11 VAL 42 1HG1 VAL 42 7.410 0.593 -7.776 311 HG12 VAL 42 2HG1 VAL 42 6.231 0.305 -6.487 312 HG13 VAL 42 3HG1 VAL 42 6.238 1.854 -7.369 313 HG21 VAL 42 3HG2 VAL 42 9.470 3.068 -5.894 314 HG22 VAL 42 1HG2 VAL 42 9.230 2.291 -7.467 315 HG23 VAL 42 2HG2 VAL 42 8.094 3.544 -6.914 316 H CYS 43 H CYS 43 5.053 1.026 -3.966 317 HA CYS 43 HA CYS 43 3.168 2.948 -5.358 318 HB2 CYS 43 2HB CYS 43 2.788 0.542 -3.630 319 HB3 CYS 43 3HB CYS 43 1.514 1.594 -4.191 320 H VAL 44 H VAL 44 4.196 2.008 -1.934 321 HA VAL 44 HA VAL 44 2.149 3.495 -0.737 322 HB VAL 44 HB VAL 44 4.105 1.774 0.066 323 HG11 VAL 44 1HG1 VAL 44 5.871 3.478 0.072 324 HG12 VAL 44 2HG1 VAL 44 4.970 4.406 1.296 325 HG13 VAL 44 3HG1 VAL 44 5.578 2.782 1.672 326 HG21 VAL 44 3HG2 VAL 44 1.968 2.157 1.143 327 HG22 VAL 44 1HG2 VAL 44 3.277 2.149 2.340 328 HG23 VAL 44 2HG2 VAL 44 2.561 3.698 1.822 329 H ASP 45 H ASP 45 5.113 4.345 -2.195 330 HA ASP 45 HA ASP 45 5.408 7.050 -1.111 331 HB2 ASP 45 2HB ASP 45 7.354 5.889 -1.987 332 HB3 ASP 45 3HB ASP 45 6.561 5.597 -3.538 333 H GLN 46 H GLN 46 4.768 6.243 -4.597 334 HA GLN 46 HA GLN 46 3.750 8.780 -5.185 335 HB2 GLN 46 2HB GLN 46 2.819 7.715 -7.215 336 HB3 GLN 46 3HB GLN 46 4.474 7.182 -6.879 337 HG2 GLN 46 2HG GLN 46 3.527 5.119 -5.778 338 HG3 GLN 46 3HG GLN 46 1.922 5.628 -6.268 339 HE21 GLN 46 1HE2 GLN 46 4.905 4.133 -7.253 340 HE22 GLN 46 2HE2 GLN 46 4.412 3.821 -8.925 341 H TRP 47 H TRP 47 2.149 6.063 -3.678 342 HA TRP 47 HA TRP 47 -0.528 6.982 -3.970 343 HB2 TRP 47 2HB TRP 47 0.066 4.660 -3.327 344 HB3 TRP 47 3HB TRP 47 0.683 5.248 -1.775 345 HD1 TRP 47 HD1 TRP 47 -1.051 4.898 0.072 346 HE1 TRP 47 HE1 TRP 47 -3.622 5.024 0.266 347 HE3 TRP 47 HE3 TRP 47 -2.241 6.072 -4.778 348 HZ2 TRP 47 HZ2 TRP 47 -5.807 5.140 -1.470 349 HZ3 TRP 47 HZ3 TRP 47 -4.586 6.384 -5.434 350 HH2 TRP 47 HH2 TRP 47 -6.430 5.852 -3.829 351 H LEU 48 H LEU 48 1.818 7.254 -1.224 352 HA LEU 48 HA LEU 48 0.320 8.918 0.406 353 HB2 LEU 48 2HB LEU 48 3.193 8.242 -0.033 354 HB3 LEU 48 3HB LEU 48 2.955 9.763 0.721 355 HG LEU 48 HG LEU 48 1.741 7.124 1.669 356 HD11 LEU 48 1HD1 LEU 48 3.370 7.259 3.494 357 HD12 LEU 48 2HD1 LEU 48 4.186 7.229 1.921 358 HD13 LEU 48 3HD1 LEU 48 4.036 8.764 2.811 359 HD21 LEU 48 3HD2 LEU 48 0.269 8.558 2.666 360 HD22 LEU 48 1HD2 LEU 48 1.578 8.763 3.833 361 HD23 LEU 48 2HD2 LEU 48 1.361 9.962 2.548 362 H ILE 49 H ILE 49 2.288 9.856 -2.485 363 HA ILE 49 HA ILE 49 1.901 12.638 -2.206 364 HB ILE 49 HB ILE 49 2.271 10.963 -4.688 365 HG12 ILE 49 2HG1 ILE 49 4.072 10.523 -3.123 366 HG13 ILE 49 3HG1 ILE 49 4.594 11.406 -4.530 367 HG21 ILE 49 1HG2 ILE 49 3.264 13.067 -5.610 368 HG22 ILE 49 2HG2 ILE 49 1.509 13.110 -5.366 369 HG23 ILE 49 3HG2 ILE 49 2.576 13.925 -4.209 370 HD11 ILE 49 3HD1 ILE 49 4.021 12.605 -1.811 371 HD12 ILE 49 1HD1 ILE 49 5.626 12.287 -2.503 372 HD13 ILE 49 2HD1 ILE 49 4.570 13.506 -3.249 373 H THR 50 H THR 50 -0.207 10.122 -3.709 374 HA THR 50 HA THR 50 -2.045 12.242 -4.596 375 HB THR 50 HB THR 50 -1.221 10.310 -6.025 376 HG1 THR 50 1HG THR 50 -2.634 11.817 -6.778 377 HG21 THR 50 1HG2 THR 50 -2.068 8.586 -4.488 378 HG22 THR 50 2HG2 THR 50 -3.722 9.208 -4.783 379 HG23 THR 50 3HG2 THR 50 -2.790 8.480 -6.118 380 H ASN 51 H ASN 51 -2.584 9.220 -2.644 381 HA ASN 51 HA ASN 51 -4.489 10.837 -1.028 382 HB2 ASN 51 2HB ASN 51 -4.640 8.064 -2.124 383 HB3 ASN 51 3HB ASN 51 -5.189 8.285 -0.470 384 HD21 ASN 51 1HD2 ASN 51 -6.024 8.759 -3.789 385 HD22 ASN 51 2HD2 ASN 51 -7.514 9.641 -3.496 386 H LYS 52 H LYS 52 -3.279 11.469 0.622 387 HA LYS 52 HA LYS 52 -1.383 9.903 2.079 388 HB2 LYS 52 2HB LYS 52 -1.537 11.728 3.702 389 HB3 LYS 52 3HB LYS 52 -1.489 12.358 2.054 390 HG2 LYS 52 2HG LYS 52 -4.110 12.409 2.203 391 HG3 LYS 52 3HG LYS 52 -3.882 12.210 3.942 392 HD2 LYS 52 2HD LYS 52 -2.601 14.408 2.271 393 HD3 LYS 52 3HD LYS 52 -4.132 14.589 3.147 394 HE2 LYS 52 2HE LYS 52 -3.108 14.279 5.272 395 HE3 LYS 52 3HE LYS 52 -1.600 13.687 4.558 396 HZ1 LYS 52 3HZ LYS 52 -1.189 15.857 3.667 397 HZ2 LYS 52 1HZ LYS 52 -2.612 16.440 4.260 398 HZ3 LYS 52 2HZ LYS 52 -1.413 15.977 5.291 399 H LYS 53 H LYS 53 -3.969 8.361 1.721 400 HA LYS 53 HA LYS 53 -4.726 7.967 4.539 401 HB2 LYS 53 2HB LYS 53 -6.712 8.191 2.228 402 HB3 LYS 53 3HB LYS 53 -7.088 7.778 3.882 403 HG2 LYS 53 2HG LYS 53 -6.587 9.922 4.728 404 HG3 LYS 53 3HG LYS 53 -5.771 10.446 3.257 405 HD2 LYS 53 2HD LYS 53 -8.754 9.936 3.525 406 HD3 LYS 53 3HD LYS 53 -7.924 11.509 3.430 407 HE2 LYS 53 2HE LYS 53 -6.814 10.226 1.279 408 HE3 LYS 53 3HE LYS 53 -8.392 9.446 1.289 409 HZ1 LYS 53 3HZ LYS 53 -8.267 11.366 -0.103 410 HZ2 LYS 53 1HZ LYS 53 -9.385 11.629 1.097 411 HZ3 LYS 53 2HZ LYS 53 -7.898 12.350 1.165 412 H CYS 54 H CYS 54 -5.820 5.909 4.749 413 HA CYS 54 HA CYS 54 -4.269 3.815 3.353 414 HB2 CYS 54 2HB CYS 54 -5.111 3.790 5.719 415 HB3 CYS 54 3HB CYS 54 -6.752 3.653 5.058 416 HA PRO 55 HA PRO 55 -7.235 3.791 -0.061 417 HB2 PRO 55 2HB PRO 55 -6.336 1.671 -1.459 418 HB3 PRO 55 3HB PRO 55 -5.323 3.098 -1.332 419 HG2 PRO 55 2HG PRO 55 -5.169 0.639 0.365 420 HG3 PRO 55 3HG PRO 55 -3.845 1.468 -0.528 421 HD2 PRO 55 2HD PRO 55 -4.334 1.939 2.107 422 HD3 PRO 55 3HD PRO 55 -3.775 3.228 1.039 423 H ILE 56 H ILE 56 -6.600 1.196 2.249 424 HA ILE 56 HA ILE 56 -9.007 -0.316 1.501 425 HB ILE 56 HB ILE 56 -6.807 -0.785 3.510 426 HG12 ILE 56 2HG1 ILE 56 -7.684 -2.520 1.169 427 HG13 ILE 56 3HG1 ILE 56 -6.667 -1.114 0.863 428 HG21 ILE 56 1HG2 ILE 56 -8.876 -1.685 4.501 429 HG22 ILE 56 2HG2 ILE 56 -9.338 -2.407 2.947 430 HG23 ILE 56 3HG2 ILE 56 -7.937 -3.025 3.837 431 HD11 ILE 56 3HD1 ILE 56 -5.295 -3.100 1.163 432 HD12 ILE 56 1HD1 ILE 56 -4.997 -1.898 2.440 433 HD13 ILE 56 2HD1 ILE 56 -5.974 -3.350 2.783 434 H CYS 57 H CYS 57 -7.716 0.889 4.662 435 HA CYS 57 HA CYS 57 -10.401 0.983 5.780 436 HB2 CYS 57 2HB CYS 57 -9.229 1.763 7.780 437 HB3 CYS 57 3HB CYS 57 -8.702 0.221 7.174 438 H ARG 58 H ARG 58 -8.721 3.306 3.855 439 HA ARG 58 HA ARG 58 -9.353 5.394 3.197 440 HB2 ARG 58 2HB ARG 58 -11.820 3.903 3.830 441 HB3 ARG 58 3HB ARG 58 -12.068 5.626 3.982 442 HG2 ARG 58 2HG ARG 58 -12.560 4.782 1.733 443 HG3 ARG 58 3HG ARG 58 -11.278 6.010 1.710 444 HD2 ARG 58 2HD ARG 58 -9.588 4.418 1.249 445 HD3 ARG 58 3HD ARG 58 -10.515 3.108 1.966 446 HE ARG 58 HE ARG 58 -11.275 2.580 -0.034 447 HH11 ARG 58 2HH2 ARG 58 -10.295 5.932 -0.241 448 HH12 ARG 58 1HH2 ARG 58 -10.821 6.188 -1.874 449 HH21 ARG 58 2HH1 ARG 58 -12.135 2.892 -2.176 450 HH22 ARG 58 1HH1 ARG 58 -11.884 4.381 -3.013 451 H VAL 59 H VAL 59 -8.102 5.252 5.824 452 HA VAL 59 HA VAL 59 -9.075 7.936 6.685 453 HB VAL 59 HB VAL 59 -8.775 7.480 8.885 454 HG11 VAL 59 1HG1 VAL 59 -10.239 5.629 9.389 455 HG12 VAL 59 2HG1 VAL 59 -10.730 6.301 7.811 456 HG13 VAL 59 3HG1 VAL 59 -9.747 4.811 7.889 457 HG21 VAL 59 3HG2 VAL 59 -6.668 6.438 9.029 458 HG22 VAL 59 1HG2 VAL 59 -7.814 5.367 9.844 459 HG23 VAL 59 2HG2 VAL 59 -7.246 4.959 8.206 460 H ASP 60 H ASP 60 -7.411 9.372 7.535 461 HA ASP 60 HA ASP 60 -4.924 9.040 6.190 462 HB2 ASP 60 2HB ASP 60 -5.519 10.900 8.545 463 HB3 ASP 60 3HB ASP 60 -4.303 11.067 7.312 464 H ILE 61 H ILE 61 -3.338 7.725 6.905 465 HA ILE 61 HA ILE 61 -3.416 6.125 9.019 466 HB ILE 61 HB ILE 61 -0.917 7.347 7.822 467 HG12 ILE 61 2HG1 ILE 61 -1.412 4.839 6.674 468 HG13 ILE 61 3HG1 ILE 61 -3.021 5.520 6.770 469 HG21 ILE 61 1HG2 ILE 61 -0.346 6.129 9.793 470 HG22 ILE 61 2HG2 ILE 61 -1.499 4.840 9.402 471 HG23 ILE 61 3HG2 ILE 61 -0.019 5.059 8.425 472 HD11 ILE 61 3HD1 ILE 61 -2.066 6.142 4.649 473 HD12 ILE 61 1HD1 ILE 61 -2.039 7.615 5.646 474 HD13 ILE 61 2HD1 ILE 61 -0.554 6.682 5.419 475 H GLU 62 H GLU 62 -2.272 9.469 9.050 476 HA GLU 62 HA GLU 62 -2.621 9.933 11.690 477 HB2 GLU 62 2HB GLU 62 -0.283 10.119 12.523 478 HB3 GLU 62 3HB GLU 62 -0.729 8.460 12.139 479 HG2 GLU 62 2HG GLU 62 0.389 8.924 9.807 480 HG3 GLU 62 3HG GLU 62 1.135 10.301 10.622 481 H ALA 63 H ALA 63 -1.700 12.177 12.249 482 HA ALA 63 HA ALA 63 -1.917 13.886 9.882 483 HB1 ALA 63 1HB ALA 63 -2.941 14.579 12.026 484 HB2 ALA 63 2HB ALA 63 -1.339 14.549 12.807 485 HB3 ALA 63 3HB ALA 63 -1.680 15.724 11.517 486 H GLN 64 H GLN 64 -0.193 15.148 9.011 487 HA GLN 64 HA GLN 64 2.514 14.818 10.029 488 HB2 GLN 64 2HB GLN 64 3.337 13.663 8.019 489 HB3 GLN 64 3HB GLN 64 2.124 12.687 8.846 490 HG2 GLN 64 2HG GLN 64 0.441 13.866 7.132 491 HG3 GLN 64 3HG GLN 64 1.919 14.163 6.217 492 HE21 GLN 64 1HE2 GLN 64 -0.119 11.546 7.728 493 HE22 GLN 64 2HE2 GLN 64 0.450 10.334 6.603 494 H LEU 65 H LEU 65 3.960 16.305 8.934 495 HA LEU 65 HA LEU 65 2.612 18.649 7.914 496 HB2 LEU 65 2HB LEU 65 4.736 19.676 7.770 497 HB3 LEU 65 3HB LEU 65 4.698 18.799 9.276 498 HG LEU 65 HG LEU 65 5.967 17.412 6.898 499 HD11 LEU 65 1HD1 LEU 65 8.077 18.631 7.283 500 HD12 LEU 65 2HD1 LEU 65 6.802 19.690 6.667 501 HD13 LEU 65 3HD1 LEU 65 7.236 19.736 8.395 502 HD21 LEU 65 3HD2 LEU 65 6.730 17.683 9.843 503 HD22 LEU 65 1HD2 LEU 65 5.931 16.276 9.102 504 HD23 LEU 65 2HD2 LEU 65 7.576 16.699 8.634 505 HA PRO 66 HA PRO 66 2.843 17.499 3.635 506 HB2 PRO 66 2HB PRO 66 2.720 19.891 2.333 507 HB3 PRO 66 3HB PRO 66 1.341 19.320 3.329 508 HG2 PRO 66 2HG PRO 66 3.565 21.224 4.149 509 HG3 PRO 66 3HG PRO 66 1.796 21.462 4.324 510 HD2 PRO 66 2HD PRO 66 3.353 20.512 6.356 511 HD3 PRO 66 3HD PRO 66 1.678 19.927 6.117 512 H SER 67 H SER 67 4.198 17.446 1.817 513 HA SER 67 HA SER 67 6.695 18.909 1.782 514 HB2 SER 67 2HB SER 67 6.873 16.841 3.377 515 HB3 SER 67 3HB SER 67 6.726 15.865 1.911 516 HG SER 67 HG SER 67 8.730 17.764 2.587 517 H GLU 68 H GLU 68 7.165 19.114 -0.487 518 HA GLU 68 HA GLU 68 5.361 17.577 -2.288 519 HB2 GLU 68 2HB GLU 68 4.973 20.089 -2.024 520 HB3 GLU 68 3HB GLU 68 6.553 20.333 -2.789 521 HG2 GLU 68 2HG GLU 68 5.776 19.171 -4.814 522 HG3 GLU 68 3HG GLU 68 4.270 18.713 -4.007 523 H SER 69 H SER 69 6.410 16.528 -4.063 524 HA SER 69 HA SER 69 9.236 16.835 -4.566 525 HB2 SER 69 2HB SER 69 8.069 14.346 -3.229 526 HB3 SER 69 3HB SER 69 9.628 14.383 -4.073 527 HG SER 69 HG SER 69 9.259 16.369 -2.179 Start of MODEL 31 1 H1 MET 1 H1 MET 1 0.841 -18.011 -10.442 2 H2 MET 1 H2 MET 1 -0.761 -17.633 -10.580 3 H3 MET 1 H3 MET 1 0.151 -16.949 -9.389 4 HA MET 1 HA MET 1 -1.217 -18.681 -8.459 5 HB2 MET 1 2HB MET 1 0.367 -20.434 -10.397 6 HB3 MET 1 3HB MET 1 -0.729 -21.026 -9.137 7 HG2 MET 1 2HG MET 1 -2.641 -20.008 -10.246 8 HG3 MET 1 3HG MET 1 -1.591 -19.184 -11.406 9 HE1 MET 1 3HE MET 1 -3.222 -21.506 -13.931 10 HE2 MET 1 1HE MET 1 -3.951 -20.531 -12.632 11 HE3 MET 1 2HE MET 1 -2.603 -19.875 -13.592 12 H LYS 2 H LYS 2 -0.164 -18.112 -6.585 13 HA LYS 2 HA LYS 2 1.985 -19.480 -5.461 14 HB2 LYS 2 2HB LYS 2 3.678 -17.604 -5.433 15 HB3 LYS 2 3HB LYS 2 3.568 -18.470 -6.946 16 HG2 LYS 2 2HG LYS 2 1.762 -16.230 -7.151 17 HG3 LYS 2 3HG LYS 2 3.253 -15.632 -6.438 18 HD2 LYS 2 2HD LYS 2 3.131 -17.293 -8.992 19 HD3 LYS 2 3HD LYS 2 3.110 -15.521 -8.950 20 HE2 LYS 2 2HE LYS 2 5.290 -15.493 -7.803 21 HE3 LYS 2 3HE LYS 2 5.334 -17.263 -7.808 22 HZ1 LYS 2 3HZ LYS 2 5.370 -17.210 -10.205 23 HZ2 LYS 2 1HZ LYS 2 5.272 -15.562 -10.224 24 HZ3 LYS 2 2HZ LYS 2 6.607 -16.299 -9.617 25 H GLN 3 H GLN 3 1.102 -19.279 -3.326 26 HA GLN 3 HA GLN 3 0.345 -16.864 -2.120 27 HB2 GLN 3 2HB GLN 3 -2.152 -17.035 -2.343 28 HB3 GLN 3 3HB GLN 3 -1.343 -16.476 -3.780 29 HG2 GLN 3 2HG GLN 3 -1.465 -19.262 -4.200 30 HG3 GLN 3 3HG GLN 3 -2.959 -18.912 -3.350 31 HE21 GLN 3 1HE2 GLN 3 -4.480 -17.388 -4.328 32 HE22 GLN 3 2HE2 GLN 3 -4.403 -17.080 -6.055 33 H ASP 4 H ASP 4 1.327 -18.102 -0.413 34 HA ASP 4 HA ASP 4 -0.416 -19.853 1.089 35 HB2 ASP 4 2HB ASP 4 1.333 -21.723 0.963 36 HB3 ASP 4 3HB ASP 4 0.245 -21.553 -0.402 37 H GLY 5 H GLY 5 0.397 -19.999 3.275 38 HA2 GLY 5 2HA GLY 5 2.778 -19.324 4.404 39 HA3 GLY 5 3HA GLY 5 2.163 -17.748 3.882 40 H GLU 6 H GLU 6 1.463 -20.583 5.940 41 HA GLU 6 HA GLU 6 -0.804 -19.228 7.134 42 HB2 GLU 6 2HB GLU 6 0.428 -21.968 7.571 43 HB3 GLU 6 3HB GLU 6 -0.888 -21.316 8.560 44 HG2 GLU 6 2HG GLU 6 -1.978 -22.594 6.929 45 HG3 GLU 6 3HG GLU 6 -2.215 -20.921 6.438 46 H GLU 7 H GLU 7 0.773 -17.427 7.637 47 HA GLU 7 HA GLU 7 2.446 -17.789 10.001 48 HB2 GLU 7 2HB GLU 7 1.511 -15.371 8.404 49 HB3 GLU 7 3HB GLU 7 2.408 -15.204 9.915 50 HG2 GLU 7 2HG GLU 7 4.002 -15.085 8.152 51 HG3 GLU 7 3HG GLU 7 4.247 -16.598 9.022 52 H GLY 8 H GLY 8 2.025 -16.126 11.852 53 HA2 GLY 8 2HA GLY 8 -0.782 -16.564 12.819 54 HA3 GLY 8 3HA GLY 8 0.652 -16.756 13.830 55 H THR 9 H THR 9 1.397 -14.972 14.925 56 HA THR 9 HA THR 9 -0.301 -12.639 14.889 57 HB THR 9 HB THR 9 0.288 -13.523 16.962 58 HG1 THR 9 1HG THR 9 1.610 -11.068 16.504 59 HG21 THR 9 1HG2 THR 9 2.536 -14.457 16.371 60 HG22 THR 9 2HG2 THR 9 3.191 -12.815 16.480 61 HG23 THR 9 3HG2 THR 9 2.469 -13.577 17.908 62 H GLU 10 H GLU 10 0.186 -11.959 12.592 63 HA GLU 10 HA GLU 10 2.399 -10.001 12.641 64 HB2 GLU 10 2HB GLU 10 2.850 -12.426 11.541 65 HB3 GLU 10 3HB GLU 10 1.998 -11.723 10.179 66 HG2 GLU 10 2HG GLU 10 4.473 -10.600 11.586 67 HG3 GLU 10 3HG GLU 10 4.486 -11.506 10.071 68 H GLU 11 H GLU 11 1.658 -8.035 11.690 69 HA GLU 11 HA GLU 11 -1.027 -8.189 10.463 70 HB2 GLU 11 2HB GLU 11 -1.650 -6.220 11.415 71 HB3 GLU 11 3HB GLU 11 -0.886 -7.102 12.712 72 HG2 GLU 11 2HG GLU 11 0.269 -4.716 11.184 73 HG3 GLU 11 3HG GLU 11 -0.428 -4.701 12.779 74 H ASP 12 H ASP 12 -0.990 -7.969 8.397 75 HA ASP 12 HA ASP 12 0.477 -5.818 7.037 76 HB2 ASP 12 2HB ASP 12 1.287 -8.690 6.981 77 HB3 ASP 12 3HB ASP 12 0.935 -8.059 5.383 78 H THR 13 H THR 13 -1.363 -8.822 6.586 79 HA THR 13 HA THR 13 -3.018 -9.424 5.159 80 HB THR 13 HB THR 13 -4.250 -8.550 7.003 81 HG1 THR 13 1HG THR 13 -5.368 -7.835 4.508 82 HG21 THR 13 1HG2 THR 13 -3.547 -6.317 7.269 83 HG22 THR 13 2HG2 THR 13 -3.963 -5.905 5.603 84 HG23 THR 13 3HG2 THR 13 -5.260 -6.214 6.782 85 H GLU 14 H GLU 14 -1.030 -8.534 3.653 86 HA GLU 14 HA GLU 14 -1.756 -6.425 1.864 87 HB2 GLU 14 2HB GLU 14 0.106 -7.304 0.476 88 HB3 GLU 14 3HB GLU 14 0.540 -6.988 2.132 89 HG2 GLU 14 2HG GLU 14 0.990 -9.150 2.670 90 HG3 GLU 14 3HG GLU 14 -0.173 -9.836 1.560 91 H GLU 15 H GLU 15 -4.172 -7.613 1.515 92 HA GLU 15 HA GLU 15 -4.028 -9.854 -0.297 93 HB2 GLU 15 2HB GLU 15 -6.346 -8.136 0.629 94 HB3 GLU 15 3HB GLU 15 -6.498 -9.433 -0.577 95 HG2 GLU 15 2HG GLU 15 -5.402 -11.003 1.091 96 HG3 GLU 15 3HG GLU 15 -5.596 -9.734 2.310 97 H LYS 16 H LYS 16 -2.534 -8.868 -1.776 98 HA LYS 16 HA LYS 16 -1.944 -8.167 -3.793 99 HB2 LYS 16 2HB LYS 16 -3.246 -9.048 -5.169 100 HB3 LYS 16 3HB LYS 16 -4.568 -9.094 -4.065 101 HG2 LYS 16 2HG LYS 16 -4.046 -6.717 -5.897 102 HG3 LYS 16 3HG LYS 16 -5.068 -8.087 -6.268 103 HD2 LYS 16 2HD LYS 16 -6.389 -7.675 -4.184 104 HD3 LYS 16 3HD LYS 16 -5.512 -6.158 -3.956 105 HE2 LYS 16 2HE LYS 16 -6.936 -6.747 -6.563 106 HE3 LYS 16 3HE LYS 16 -7.856 -6.205 -5.146 107 HZ1 LYS 16 3HZ LYS 16 -5.608 -4.777 -6.384 108 HZ2 LYS 16 1HZ LYS 16 -7.178 -4.350 -6.516 109 HZ3 LYS 16 2HZ LYS 16 -6.417 -4.256 -5.054 110 H CYS 17 H CYS 17 -1.500 -6.210 -5.162 111 HA CYS 17 HA CYS 17 -1.526 -3.902 -3.498 112 HB2 CYS 17 2HB CYS 17 0.212 -4.499 -5.239 113 HB3 CYS 17 3HB CYS 17 -0.992 -4.054 -6.447 114 H THR 18 H THR 18 -2.806 -2.059 -3.856 115 HA THR 18 HA THR 18 -5.140 -2.459 -5.692 116 HB THR 18 HB THR 18 -5.163 -2.552 -2.955 117 HG1 THR 18 1HG THR 18 -7.473 -2.351 -3.380 118 HG21 THR 18 1HG2 THR 18 -6.439 -0.632 -2.198 119 HG22 THR 18 2HG2 THR 18 -4.850 -0.135 -2.825 120 HG23 THR 18 3HG2 THR 18 -6.319 0.112 -3.813 121 H ILE 19 H ILE 19 -2.593 -0.285 -4.614 122 HA ILE 19 HA ILE 19 -3.760 1.991 -5.916 123 HB ILE 19 HB ILE 19 -0.976 1.202 -4.917 124 HG12 ILE 19 2HG1 ILE 19 -1.761 3.413 -3.549 125 HG13 ILE 19 3HG1 ILE 19 -3.340 2.721 -3.812 126 HG21 ILE 19 1HG2 ILE 19 -0.288 3.544 -5.274 127 HG22 ILE 19 2HG2 ILE 19 -0.620 2.711 -6.784 128 HG23 ILE 19 3HG2 ILE 19 -1.824 3.851 -6.132 129 HD11 ILE 19 3HD1 ILE 19 -2.641 0.690 -2.620 130 HD12 ILE 19 1HD1 ILE 19 -0.952 1.262 -2.571 131 HD13 ILE 19 2HD1 ILE 19 -2.200 2.130 -1.667 132 H CYS 20 H CYS 20 -1.670 -0.727 -6.876 133 HA CYS 20 HA CYS 20 -1.640 0.428 -9.673 134 HB2 CYS 20 2HB CYS 20 -0.021 -1.364 -10.121 135 HB3 CYS 20 3HB CYS 20 0.547 -0.116 -9.003 136 H LEU 21 H LEU 21 -3.835 -0.965 -7.984 137 HA LEU 21 HA LEU 21 -5.580 -2.320 -8.288 138 HB2 LEU 21 2HB LEU 21 -4.819 -2.149 -11.163 139 HB3 LEU 21 3HB LEU 21 -6.297 -2.868 -10.548 140 HG LEU 21 HG LEU 21 -5.976 -0.319 -9.249 141 HD11 LEU 21 1HD1 LEU 21 -5.798 -0.169 -12.282 142 HD12 LEU 21 2HD1 LEU 21 -6.081 1.197 -11.175 143 HD13 LEU 21 3HD1 LEU 21 -4.540 0.324 -11.123 144 HD21 LEU 21 3HD2 LEU 21 -8.161 0.117 -10.277 145 HD22 LEU 21 1HD2 LEU 21 -7.938 -1.264 -11.376 146 HD23 LEU 21 2HD2 LEU 21 -8.081 -1.529 -9.620 147 H SER 22 H SER 22 -2.930 -3.804 -10.222 148 HA SER 22 HA SER 22 -4.096 -6.428 -10.040 149 HB2 SER 22 2HB SER 22 -2.679 -5.438 -11.931 150 HB3 SER 22 3HB SER 22 -1.267 -5.703 -10.886 151 HG SER 22 HG SER 22 -1.669 -7.467 -12.289 152 H ILE 23 H ILE 23 -2.284 -8.278 -9.517 153 HA ILE 23 HA ILE 23 -1.989 -8.154 -6.683 154 HB ILE 23 HB ILE 23 -1.096 -10.375 -6.901 155 HG12 ILE 23 2HG1 ILE 23 -1.518 -11.421 -9.251 156 HG13 ILE 23 3HG1 ILE 23 -1.135 -9.839 -9.906 157 HG21 ILE 23 1HG2 ILE 23 -3.462 -10.249 -8.745 158 HG22 ILE 23 2HG2 ILE 23 -3.114 -11.328 -7.364 159 HG23 ILE 23 3HG2 ILE 23 -3.591 -9.643 -7.097 160 HD11 ILE 23 3HD1 ILE 23 1.048 -9.890 -8.905 161 HD12 ILE 23 1HD1 ILE 23 0.637 -11.361 -7.971 162 HD13 ILE 23 2HD1 ILE 23 0.805 -11.437 -9.742 163 H LEU 24 H LEU 24 -0.049 -8.500 -5.475 164 HA LEU 24 HA LEU 24 2.059 -6.736 -6.265 165 HB2 LEU 24 2HB LEU 24 1.461 -8.623 -3.968 166 HB3 LEU 24 3HB LEU 24 3.125 -8.168 -4.224 167 HG LEU 24 HG LEU 24 0.840 -6.235 -3.848 168 HD11 LEU 24 1HD1 LEU 24 1.914 -5.766 -1.636 169 HD12 LEU 24 2HD1 LEU 24 1.385 -7.450 -1.772 170 HD13 LEU 24 3HD1 LEU 24 3.098 -7.053 -1.958 171 HD21 LEU 24 3HD2 LEU 24 2.513 -5.115 -5.152 172 HD22 LEU 24 1HD2 LEU 24 2.734 -4.574 -3.495 173 HD23 LEU 24 2HD2 LEU 24 3.832 -5.797 -4.169 174 H GLU 25 H GLU 25 4.244 -7.235 -6.553 175 HA GLU 25 HA GLU 25 4.705 -9.867 -7.840 176 HB2 GLU 25 2HB GLU 25 6.386 -8.853 -9.221 177 HB3 GLU 25 3HB GLU 25 4.796 -8.104 -9.439 178 HG2 GLU 25 2HG GLU 25 5.653 -6.405 -7.642 179 HG3 GLU 25 3HG GLU 25 7.241 -6.984 -8.078 180 H GLU 26 H GLU 26 5.277 -11.037 -6.067 181 HA GLU 26 HA GLU 26 6.924 -10.049 -3.987 182 HB2 GLU 26 2HB GLU 26 5.321 -12.116 -4.091 183 HB3 GLU 26 3HB GLU 26 6.716 -12.971 -4.764 184 HG2 GLU 26 2HG GLU 26 8.015 -12.008 -2.710 185 HG3 GLU 26 3HG GLU 26 6.420 -11.616 -2.055 186 H GLY 27 H GLY 27 8.935 -9.238 -4.526 187 HA2 GLY 27 2HA GLY 27 11.057 -10.884 -5.491 188 HA3 GLY 27 3HA GLY 27 10.323 -10.038 -6.864 189 H GLU 28 H GLU 28 9.657 -7.516 -5.676 190 HA GLU 28 HA GLU 28 12.380 -6.497 -5.130 191 HB2 GLU 28 2HB GLU 28 10.436 -5.636 -6.943 192 HB3 GLU 28 3HB GLU 28 10.255 -4.504 -5.611 193 HG2 GLU 28 2HG GLU 28 12.686 -4.005 -5.713 194 HG3 GLU 28 3HG GLU 28 12.895 -5.225 -6.975 195 H ASP 29 H ASP 29 11.868 -4.292 -3.931 196 HA ASP 29 HA ASP 29 11.250 -5.231 -1.189 197 HB2 ASP 29 2HB ASP 29 12.805 -2.974 -2.356 198 HB3 ASP 29 3HB ASP 29 11.818 -2.506 -0.978 199 H VAL 30 H VAL 30 9.351 -4.923 -0.212 200 HA VAL 30 HA VAL 30 7.442 -2.998 -1.392 201 HB VAL 30 HB VAL 30 5.753 -4.429 -0.213 202 HG11 VAL 30 1HG1 VAL 30 7.446 -5.756 -2.341 203 HG12 VAL 30 2HG1 VAL 30 5.756 -6.157 -1.924 204 HG13 VAL 30 3HG1 VAL 30 6.154 -4.562 -2.583 205 HG21 VAL 30 3HG2 VAL 30 6.314 -6.619 0.515 206 HG22 VAL 30 1HG2 VAL 30 7.987 -6.455 -0.055 207 HG23 VAL 30 2HG2 VAL 30 7.419 -5.496 1.341 208 H ARG 31 H ARG 31 5.678 -2.451 0.502 209 HA ARG 31 HA ARG 31 6.999 -1.922 2.980 210 HB2 ARG 31 2HB ARG 31 7.744 -0.105 1.090 211 HB3 ARG 31 3HB ARG 31 6.265 0.647 1.678 212 HG2 ARG 31 2HG ARG 31 8.163 1.524 2.891 213 HG3 ARG 31 3HG ARG 31 7.247 0.502 4.023 214 HD2 ARG 31 2HD ARG 31 8.809 -1.338 3.705 215 HD3 ARG 31 3HD ARG 31 9.582 -0.515 2.343 216 HE ARG 31 HE ARG 31 9.849 1.180 4.549 217 HH11 ARG 31 2HH2 ARG 31 10.876 -2.036 3.532 218 HH12 ARG 31 1HH2 ARG 31 12.314 -2.081 4.484 219 HH21 ARG 31 2HH1 ARG 31 11.792 1.187 5.840 220 HH22 ARG 31 1HH1 ARG 31 12.845 -0.181 5.838 221 H ARG 32 H ARG 32 5.589 -1.275 4.652 222 HA ARG 32 HA ARG 32 2.778 -1.245 3.826 223 HB2 ARG 32 2HB ARG 32 2.329 -2.287 6.004 224 HB3 ARG 32 3HB ARG 32 3.489 -3.223 5.069 225 HG2 ARG 32 2HG ARG 32 5.321 -2.065 6.454 226 HG3 ARG 32 3HG ARG 32 4.007 -1.525 7.521 227 HD2 ARG 32 2HD ARG 32 3.376 -3.862 7.968 228 HD3 ARG 32 3HD ARG 32 4.422 -4.410 6.659 229 HE ARG 32 HE ARG 32 6.129 -4.545 8.018 230 HH11 ARG 32 2HH2 ARG 32 3.753 -2.583 9.642 231 HH12 ARG 32 1HH2 ARG 32 4.729 -2.148 10.996 232 HH21 ARG 32 2HH1 ARG 32 7.550 -3.958 9.756 233 HH22 ARG 32 1HH1 ARG 32 6.984 -2.960 11.051 234 H LEU 33 H LEU 33 1.336 0.103 4.891 235 HA LEU 33 HA LEU 33 2.668 2.643 5.606 236 HB2 LEU 33 2HB LEU 33 -0.232 2.619 6.074 237 HB3 LEU 33 3HB LEU 33 0.820 3.767 5.265 238 HG LEU 33 HG LEU 33 0.890 1.943 3.410 239 HD11 LEU 33 1HD1 LEU 33 -1.966 1.459 4.106 240 HD12 LEU 33 2HD1 LEU 33 -0.757 0.336 3.441 241 HD13 LEU 33 3HD1 LEU 33 -0.801 0.667 5.175 242 HD21 LEU 33 3HD2 LEU 33 -1.448 3.815 3.854 243 HD22 LEU 33 1HD2 LEU 33 0.109 4.196 3.082 244 HD23 LEU 33 2HD2 LEU 33 -1.008 3.061 2.297 245 HA PRO 34 HA PRO 34 2.781 1.634 9.883 246 HB2 PRO 34 2HB PRO 34 2.367 4.082 11.147 247 HB3 PRO 34 3HB PRO 34 3.895 3.531 10.399 248 HG2 PRO 34 2HG PRO 34 1.801 5.360 9.251 249 HG3 PRO 34 3HG PRO 34 3.576 5.486 9.130 250 HD2 PRO 34 2HD PRO 34 2.018 4.486 7.105 251 HD3 PRO 34 3HD PRO 34 3.676 3.887 7.414 252 H CYS 35 H CYS 35 -0.103 2.654 8.455 253 HA CYS 35 HA CYS 35 -2.182 2.434 10.394 254 HB2 CYS 35 2HB CYS 35 -2.547 3.012 8.074 255 HB3 CYS 35 3HB CYS 35 -1.871 1.453 7.576 256 H MET 36 H MET 36 -0.494 -0.168 8.556 257 HA MET 36 HA MET 36 -0.426 -2.378 9.977 258 HB2 MET 36 2HB MET 36 -2.467 -2.267 11.140 259 HB3 MET 36 3HB MET 36 -3.367 -1.677 9.726 260 HG2 MET 36 2HG MET 36 -3.287 -3.865 8.699 261 HG3 MET 36 3HG MET 36 -2.229 -4.474 9.983 262 HE1 MET 36 3HE MET 36 -4.019 -6.485 9.986 263 HE2 MET 36 1HE MET 36 -5.713 -6.309 10.504 264 HE3 MET 36 2HE MET 36 -5.202 -5.673 8.929 265 H HIS 37 H HIS 37 -2.518 -1.243 7.273 266 HA HIS 37 HA HIS 37 -2.282 -3.697 5.842 267 HB2 HIS 37 1HB HIS 37 -2.916 -0.929 4.764 268 HB3 HIS 37 2HB HIS 37 -3.260 -2.437 3.967 269 HD2 HIS 37 2HD HIS 37 -4.994 -4.150 5.132 270 HE1 HIS 37 1HE HIS 37 -7.211 -1.233 7.290 271 HE2 HIS 37 2HE HIS 37 -7.163 -3.678 6.511 272 H LEU 38 H LEU 38 -1.094 -4.184 3.830 273 HA LEU 38 HA LEU 38 1.417 -2.591 3.642 274 HB2 LEU 38 2HB LEU 38 1.885 -4.637 4.665 275 HB3 LEU 38 3HB LEU 38 1.041 -5.548 3.456 276 HG LEU 38 HG LEU 38 3.380 -3.845 2.657 277 HD11 LEU 38 1HD1 LEU 38 4.953 -5.688 2.952 278 HD12 LEU 38 2HD1 LEU 38 4.267 -5.213 4.514 279 HD13 LEU 38 3HD1 LEU 38 3.687 -6.667 3.707 280 HD21 LEU 38 3HD2 LEU 38 1.912 -5.237 0.929 281 HD22 LEU 38 1HD2 LEU 38 3.675 -5.365 0.836 282 HD23 LEU 38 2HD2 LEU 38 2.733 -6.626 1.621 283 H PHE 39 H PHE 39 2.461 -2.425 1.608 284 HA PHE 39 HA PHE 39 0.954 -3.234 -0.759 285 HB2 PHE 39 2HB PHE 39 1.320 -0.346 0.123 286 HB3 PHE 39 3HB PHE 39 1.196 -0.721 -1.588 287 HD1 PHE 39 1HD PHE 39 -0.653 -2.463 -2.217 288 HD2 PHE 39 2HD PHE 39 -0.752 0.037 1.259 289 HE1 PHE 39 1HE PHE 39 -3.122 -2.850 -2.012 290 HE2 PHE 39 2HE PHE 39 -3.203 -0.300 1.441 291 HZ PHE 39 HZ PHE 39 -4.403 -1.627 -0.351 292 H HIS 40 H HIS 40 2.235 -2.011 -2.704 293 HA HIS 40 HA HIS 40 4.978 -2.934 -2.774 294 HB2 HIS 40 1HB HIS 40 3.150 -1.251 -4.375 295 HB3 HIS 40 2HB HIS 40 4.863 -0.891 -4.597 296 HD2 HIS 40 2HD HIS 40 6.227 -3.522 -5.205 297 HE1 HIS 40 1HE HIS 40 3.315 -3.735 -8.291 298 HE2 HIS 40 2HE HIS 40 5.588 -4.464 -7.580 299 H GLN 41 H GLN 41 6.850 -1.670 -2.497 300 HA GLN 41 HA GLN 41 6.735 0.560 -0.687 301 HB2 GLN 41 2HB GLN 41 8.720 -0.972 -0.932 302 HB3 GLN 41 3HB GLN 41 8.927 -0.409 -2.584 303 HG2 GLN 41 2HG GLN 41 8.926 1.907 -0.852 304 HG3 GLN 41 3HG GLN 41 9.971 0.690 -0.124 305 HE21 GLN 41 1HE2 GLN 41 11.251 -0.586 -2.209 306 HE22 GLN 41 2HE2 GLN 41 12.120 0.615 -3.147 307 H VAL 42 H VAL 42 7.636 0.400 -4.130 308 HA VAL 42 HA VAL 42 7.706 3.196 -4.469 309 HB VAL 42 HB VAL 42 8.272 1.015 -5.988 310 HG11 VAL 42 1HG1 VAL 42 6.031 2.356 -7.538 311 HG12 VAL 42 2HG1 VAL 42 7.107 1.068 -8.099 312 HG13 VAL 42 3HG1 VAL 42 5.948 0.732 -6.804 313 HG21 VAL 42 3HG2 VAL 42 8.014 3.893 -6.943 314 HG22 VAL 42 1HG2 VAL 42 9.403 3.179 -6.094 315 HG23 VAL 42 2HG2 VAL 42 8.994 2.632 -7.729 316 H CYS 43 H CYS 43 4.984 1.159 -4.098 317 HA CYS 43 HA CYS 43 3.023 3.079 -5.393 318 HB2 CYS 43 2HB CYS 43 2.728 0.612 -3.719 319 HB3 CYS 43 3HB CYS 43 1.425 1.641 -4.237 320 H VAL 44 H VAL 44 4.203 2.099 -2.025 321 HA VAL 44 HA VAL 44 2.150 3.541 -0.749 322 HB VAL 44 HB VAL 44 4.163 1.838 -0.010 323 HG11 VAL 44 1HG1 VAL 44 4.999 4.500 1.181 324 HG12 VAL 44 2HG1 VAL 44 5.635 2.898 1.586 325 HG13 VAL 44 3HG1 VAL 44 5.897 3.558 -0.036 326 HG21 VAL 44 3HG2 VAL 44 3.370 2.183 2.279 327 HG22 VAL 44 1HG2 VAL 44 2.603 3.717 1.783 328 HG23 VAL 44 2HG2 VAL 44 2.041 2.166 1.106 329 H ASP 45 H ASP 45 5.062 4.404 -2.306 330 HA ASP 45 HA ASP 45 5.359 7.124 -1.252 331 HB2 ASP 45 2HB ASP 45 7.333 6.081 -2.166 332 HB3 ASP 45 3HB ASP 45 6.503 5.635 -3.655 333 H GLN 46 H GLN 46 4.695 6.282 -4.706 334 HA GLN 46 HA GLN 46 3.620 8.796 -5.252 335 HB2 GLN 46 2HB GLN 46 2.988 6.127 -6.591 336 HB3 GLN 46 3HB GLN 46 2.541 7.713 -7.245 337 HG2 GLN 46 2HG GLN 46 4.955 8.373 -7.244 338 HG3 GLN 46 3HG GLN 46 5.383 6.739 -6.716 339 HE21 GLN 46 1HE2 GLN 46 5.108 4.952 -8.203 340 HE22 GLN 46 2HE2 GLN 46 4.854 5.277 -9.921 341 H TRP 47 H TRP 47 2.030 6.061 -3.763 342 HA TRP 47 HA TRP 47 -0.647 7.015 -3.967 343 HB2 TRP 47 2HB TRP 47 -0.056 4.707 -3.258 344 HB3 TRP 47 3HB TRP 47 0.605 5.341 -1.747 345 HD1 TRP 47 HD1 TRP 47 -1.086 5.036 0.148 346 HE1 TRP 47 HE1 TRP 47 -3.658 5.131 0.390 347 HE3 TRP 47 HE3 TRP 47 -2.393 6.136 -4.692 348 HZ2 TRP 47 HZ2 TRP 47 -5.883 5.164 -1.309 349 HZ3 TRP 47 HZ3 TRP 47 -4.746 6.361 -5.315 350 HH2 TRP 47 HH2 TRP 47 -6.555 5.766 -3.678 351 H LEU 48 H LEU 48 1.760 7.304 -1.262 352 HA LEU 48 HA LEU 48 0.255 9.014 0.312 353 HB2 LEU 48 2HB LEU 48 3.103 8.244 -0.009 354 HB3 LEU 48 3HB LEU 48 2.939 9.830 0.628 355 HG LEU 48 HG LEU 48 1.468 7.399 1.724 356 HD11 LEU 48 1HD1 LEU 48 4.025 8.722 2.726 357 HD12 LEU 48 2HD1 LEU 48 3.140 7.416 3.552 358 HD13 LEU 48 3HD1 LEU 48 3.895 7.117 1.973 359 HD21 LEU 48 3HD2 LEU 48 0.971 8.735 3.673 360 HD22 LEU 48 1HD2 LEU 48 2.011 10.063 3.110 361 HD23 LEU 48 2HD2 LEU 48 0.492 9.708 2.278 362 H ILE 49 H ILE 49 2.162 9.825 -2.619 363 HA ILE 49 HA ILE 49 1.902 12.635 -2.311 364 HB ILE 49 HB ILE 49 2.288 10.934 -4.779 365 HG12 ILE 49 2HG1 ILE 49 4.026 10.561 -3.073 366 HG13 ILE 49 3HG1 ILE 49 4.597 11.263 -4.559 367 HG21 ILE 49 1HG2 ILE 49 1.660 12.973 -5.659 368 HG22 ILE 49 2HG2 ILE 49 2.406 13.900 -4.343 369 HG23 ILE 49 3HG2 ILE 49 3.427 13.116 -5.575 370 HD11 ILE 49 3HD1 ILE 49 3.861 13.332 -2.641 371 HD12 ILE 49 1HD1 ILE 49 5.068 12.204 -1.988 372 HD13 ILE 49 2HD1 ILE 49 5.384 13.072 -3.511 373 H THR 50 H THR 50 -0.299 10.149 -3.805 374 HA THR 50 HA THR 50 -2.113 12.220 -4.749 375 HB THR 50 HB THR 50 -1.413 9.419 -5.284 376 HG1 THR 50 1HG THR 50 -1.761 10.132 -7.263 377 HG21 THR 50 1HG2 THR 50 -3.499 8.764 -4.498 378 HG22 THR 50 2HG2 THR 50 -4.331 10.168 -5.246 379 HG23 THR 50 3HG2 THR 50 -3.638 8.867 -6.252 380 H ASN 51 H ASN 51 -2.628 9.255 -2.677 381 HA ASN 51 HA ASN 51 -4.657 10.822 -1.182 382 HB2 ASN 51 2HB ASN 51 -4.598 8.139 -2.257 383 HB3 ASN 51 3HB ASN 51 -4.732 8.033 -0.511 384 HD21 ASN 51 1HD2 ASN 51 -6.609 8.063 -3.156 385 HD22 ASN 51 2HD2 ASN 51 -8.036 8.856 -2.507 386 H LYS 52 H LYS 52 -3.849 11.661 0.621 387 HA LYS 52 HA LYS 52 -1.770 10.322 2.208 388 HB2 LYS 52 2HB LYS 52 -3.464 12.820 2.531 389 HB3 LYS 52 3HB LYS 52 -2.363 12.269 3.812 390 HG2 LYS 52 2HG LYS 52 -0.458 12.758 2.634 391 HG3 LYS 52 3HG LYS 52 -1.182 12.342 1.089 392 HD2 LYS 52 2HD LYS 52 -0.673 14.618 0.992 393 HD3 LYS 52 3HD LYS 52 -2.425 14.497 1.062 394 HE2 LYS 52 2HE LYS 52 -0.603 15.109 3.443 395 HE3 LYS 52 3HE LYS 52 -1.386 16.338 2.441 396 HZ1 LYS 52 3HZ LYS 52 -2.669 15.955 4.394 397 HZ2 LYS 52 1HZ LYS 52 -3.525 15.413 3.103 398 HZ3 LYS 52 2HZ LYS 52 -2.783 14.343 4.111 399 H LYS 53 H LYS 53 -4.232 8.694 1.729 400 HA LYS 53 HA LYS 53 -4.975 8.199 4.513 401 HB2 LYS 53 2HB LYS 53 -7.005 8.469 2.228 402 HB3 LYS 53 3HB LYS 53 -7.345 7.783 3.790 403 HG2 LYS 53 2HG LYS 53 -7.276 9.758 4.933 404 HG3 LYS 53 3HG LYS 53 -6.171 10.548 3.814 405 HD2 LYS 53 2HD LYS 53 -9.098 9.975 3.267 406 HD3 LYS 53 3HD LYS 53 -8.405 11.526 3.802 407 HE2 LYS 53 2HE LYS 53 -6.742 10.732 1.690 408 HE3 LYS 53 3HE LYS 53 -8.329 10.246 1.121 409 HZ1 LYS 53 3HZ LYS 53 -7.796 12.485 0.477 410 HZ2 LYS 53 1HZ LYS 53 -9.062 12.542 1.536 411 HZ3 LYS 53 2HZ LYS 53 -7.554 12.943 2.046 412 H CYS 54 H CYS 54 -5.983 6.106 4.690 413 HA CYS 54 HA CYS 54 -4.240 4.131 3.323 414 HB2 CYS 54 2HB CYS 54 -5.355 4.091 5.696 415 HB3 CYS 54 3HB CYS 54 -6.773 3.513 4.807 416 HA PRO 55 HA PRO 55 -7.109 3.756 -0.141 417 HB2 PRO 55 2HB PRO 55 -6.101 1.634 -1.429 418 HB3 PRO 55 3HB PRO 55 -5.094 3.070 -1.279 419 HG2 PRO 55 2HG PRO 55 -5.064 0.667 0.530 420 HG3 PRO 55 3HG PRO 55 -3.687 1.421 -0.337 421 HD2 PRO 55 2HD PRO 55 -4.265 2.051 2.229 422 HD3 PRO 55 3HD PRO 55 -3.667 3.282 1.108 423 H ILE 56 H ILE 56 -6.575 1.384 2.387 424 HA ILE 56 HA ILE 56 -8.950 -0.198 1.587 425 HB ILE 56 HB ILE 56 -6.720 -0.694 3.557 426 HG12 ILE 56 2HG1 ILE 56 -7.717 -2.437 1.270 427 HG13 ILE 56 3HG1 ILE 56 -6.656 -1.072 0.920 428 HG21 ILE 56 1HG2 ILE 56 -7.921 -2.909 3.932 429 HG22 ILE 56 2HG2 ILE 56 -8.770 -1.529 4.631 430 HG23 ILE 56 3HG2 ILE 56 -9.328 -2.229 3.099 431 HD11 ILE 56 3HD1 ILE 56 -5.361 -3.123 1.227 432 HD12 ILE 56 1HD1 ILE 56 -4.974 -1.898 2.459 433 HD13 ILE 56 2HD1 ILE 56 -5.999 -3.296 2.871 434 H CYS 57 H CYS 57 -7.604 0.945 4.742 435 HA CYS 57 HA CYS 57 -10.264 1.074 5.888 436 HB2 CYS 57 2HB CYS 57 -9.058 1.899 7.857 437 HB3 CYS 57 3HB CYS 57 -8.532 0.362 7.266 438 H ARG 58 H ARG 58 -8.616 3.359 3.897 439 HA ARG 58 HA ARG 58 -9.318 5.338 3.083 440 HB2 ARG 58 2HB ARG 58 -11.498 3.691 3.438 441 HB3 ARG 58 3HB ARG 58 -12.033 5.127 4.298 442 HG2 ARG 58 2HG ARG 58 -11.051 4.972 1.406 443 HG3 ARG 58 3HG ARG 58 -12.735 5.076 1.945 444 HD2 ARG 58 2HD ARG 58 -12.105 7.271 3.087 445 HD3 ARG 58 3HD ARG 58 -10.571 7.185 2.191 446 HE ARG 58 HE ARG 58 -12.909 6.820 0.512 447 HH11 ARG 58 2HH2 ARG 58 -10.973 9.257 2.100 448 HH12 ARG 58 1HH2 ARG 58 -11.501 10.590 1.110 449 HH21 ARG 58 2HH1 ARG 58 -13.713 8.565 -0.798 450 HH22 ARG 58 1HH1 ARG 58 -13.100 10.162 -0.603 451 H VAL 59 H VAL 59 -8.176 5.356 5.892 452 HA VAL 59 HA VAL 59 -9.185 8.075 6.594 453 HB VAL 59 HB VAL 59 -8.944 7.673 8.829 454 HG11 VAL 59 1HG1 VAL 59 -10.443 5.851 9.313 455 HG12 VAL 59 2HG1 VAL 59 -10.869 6.462 7.691 456 HG13 VAL 59 3HG1 VAL 59 -9.889 4.982 7.867 457 HG21 VAL 59 3HG2 VAL 59 -6.841 6.610 9.056 458 HG22 VAL 59 1HG2 VAL 59 -8.023 5.555 9.838 459 HG23 VAL 59 2HG2 VAL 59 -7.406 5.132 8.223 460 H ASP 60 H ASP 60 -7.546 9.533 7.592 461 HA ASP 60 HA ASP 60 -5.094 9.205 6.197 462 HB2 ASP 60 2HB ASP 60 -5.651 11.151 8.478 463 HB3 ASP 60 3HB ASP 60 -4.489 11.286 7.192 464 H ILE 61 H ILE 61 -3.568 7.842 6.867 465 HA ILE 61 HA ILE 61 -3.496 6.359 9.056 466 HB ILE 61 HB ILE 61 -1.002 7.420 7.715 467 HG12 ILE 61 2HG1 ILE 61 -1.647 4.987 6.537 468 HG13 ILE 61 3HG1 ILE 61 -3.241 5.688 6.735 469 HG21 ILE 61 1HG2 ILE 61 -0.544 6.123 9.697 470 HG22 ILE 61 2HG2 ILE 61 -1.722 4.889 9.221 471 HG23 ILE 61 3HG2 ILE 61 -0.220 5.100 8.280 472 HD11 ILE 61 3HD1 ILE 61 -2.297 7.792 5.586 473 HD12 ILE 61 1HD1 ILE 61 -0.829 6.855 5.285 474 HD13 ILE 61 2HD1 ILE 61 -2.373 6.335 4.572 475 H GLU 62 H GLU 62 -2.393 9.664 8.832 476 HA GLU 62 HA GLU 62 -3.133 10.343 11.262 477 HB2 GLU 62 2HB GLU 62 -0.362 9.365 11.461 478 HB3 GLU 62 3HB GLU 62 -0.434 11.090 11.815 479 HG2 GLU 62 2HG GLU 62 -2.450 10.561 13.329 480 HG3 GLU 62 3HG GLU 62 -1.967 8.868 13.203 481 H ALA 63 H ALA 63 -2.045 12.756 11.686 482 HA ALA 63 HA ALA 63 -1.932 14.044 8.995 483 HB1 ALA 63 1HB ALA 63 -3.681 14.887 10.559 484 HB2 ALA 63 2HB ALA 63 -2.414 15.287 11.741 485 HB3 ALA 63 3HB ALA 63 -2.480 16.127 10.173 486 H GLN 64 H GLN 64 -0.462 16.273 9.590 487 HA GLN 64 HA GLN 64 1.635 17.075 9.824 488 HB2 GLN 64 2HB GLN 64 0.717 16.341 12.244 489 HB3 GLN 64 3HB GLN 64 2.139 15.314 12.214 490 HG2 GLN 64 2HG GLN 64 1.971 18.340 11.966 491 HG3 GLN 64 3HG GLN 64 2.696 17.413 13.280 492 HE21 GLN 64 1HE2 GLN 64 4.821 16.357 12.878 493 HE22 GLN 64 2HE2 GLN 64 5.771 16.899 11.502 494 H LEU 65 H LEU 65 1.926 15.679 7.750 495 HA LEU 65 HA LEU 65 3.337 13.250 7.885 496 HB2 LEU 65 2HB LEU 65 3.689 13.397 5.574 497 HB3 LEU 65 3HB LEU 65 2.126 14.128 5.854 498 HG LEU 65 HG LEU 65 4.665 15.814 5.525 499 HD11 LEU 65 1HD1 LEU 65 2.810 14.770 3.356 500 HD12 LEU 65 2HD1 LEU 65 4.089 15.992 3.144 501 HD13 LEU 65 3HD1 LEU 65 4.521 14.343 3.599 502 HD21 LEU 65 3HD2 LEU 65 1.701 16.384 5.063 503 HD22 LEU 65 1HD2 LEU 65 2.719 17.046 6.376 504 HD23 LEU 65 2HD2 LEU 65 3.037 17.496 4.703 505 HA PRO 66 HA PRO 66 7.502 14.567 8.716 506 HB2 PRO 66 2HB PRO 66 8.972 12.475 7.757 507 HB3 PRO 66 3HB PRO 66 7.869 12.273 9.157 508 HG2 PRO 66 2HG PRO 66 7.288 11.663 6.236 509 HG3 PRO 66 3HG PRO 66 7.058 10.582 7.650 510 HD2 PRO 66 2HD PRO 66 5.022 12.066 6.627 511 HD3 PRO 66 3HD PRO 66 5.174 11.808 8.392 512 H SER 67 H SER 67 9.665 14.866 7.526 513 HA SER 67 HA SER 67 9.504 15.281 4.666 514 HB2 SER 67 2HB SER 67 8.296 17.254 5.689 515 HB3 SER 67 3HB SER 67 9.787 17.652 6.563 516 HG SER 67 HG SER 67 9.618 18.794 4.580 517 H GLU 68 H GLU 68 11.654 16.581 4.157 518 HA GLU 68 HA GLU 68 13.874 16.134 3.844 519 HB2 GLU 68 2HB GLU 68 13.478 18.026 5.600 520 HB3 GLU 68 3HB GLU 68 14.091 16.872 6.775 521 HG2 GLU 68 2HG GLU 68 15.989 18.100 6.161 522 HG3 GLU 68 3HG GLU 68 16.154 16.648 5.170 523 H SER 69 H SER 69 12.864 13.661 3.964 524 HA SER 69 HA SER 69 14.960 12.082 5.100 525 HB2 SER 69 2HB SER 69 13.466 12.449 7.105 526 HB3 SER 69 3HB SER 69 12.123 11.753 6.176 527 HG SER 69 HG SER 69 13.624 9.913 5.878
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