NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
518639 | 2l6m | 17315 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.284 -3.647 9.866 2 HA MET 1 HA MET 1 1.482 -5.592 8.536 3 HB2 MET 1 HB2 MET 1 -1.332 -4.913 7.648 4 HB3 MET 1 HB3 MET 1 -0.314 -6.128 6.886 5 HG2 MET 1 HG2 MET 1 -0.257 -7.404 8.954 6 HG3 MET 1 HG3 MET 1 -1.236 -6.175 9.751 7 HE1 MET 1 HE1 MET 1 -2.931 -8.125 10.521 8 HE2 MET 1 HE2 MET 1 -1.936 -9.317 9.683 9 HE3 MET 1 HE3 MET 1 -3.674 -9.258 9.392 10 H LYS 2 H LYS 2 1.400 -5.478 5.887 11 HA LYS 2 HA LYS 2 1.945 -2.666 5.191 12 HB2 LYS 2 HB2 LYS 2 4.078 -3.744 5.706 13 HB3 LYS 2 HB3 LYS 2 3.722 -5.033 4.564 14 HG2 LYS 2 HG2 LYS 2 3.642 -3.277 2.765 15 HG3 LYS 2 HG3 LYS 2 4.271 -2.137 3.955 16 HD2 LYS 2 HD2 LYS 2 5.621 -4.710 3.140 17 HD3 LYS 2 HD3 LYS 2 6.024 -3.114 2.507 18 HE2 LYS 2 HE2 LYS 2 6.607 -2.375 4.774 19 HE3 LYS 2 HE3 LYS 2 6.221 -3.982 5.391 20 HZ1 LYS 2 HZ1 LYS 2 7.988 -4.908 4.065 21 HZ2 LYS 2 HZ2 LYS 2 8.612 -3.657 5.022 22 HZ3 LYS 2 HZ3 LYS 2 8.323 -3.396 3.371 23 H GLY 3 H GLY 3 0.668 -2.107 3.529 24 HA2 GLY 3 HA2 GLY 3 0.532 -1.973 1.201 25 HA3 GLY 3 HA3 GLY 3 1.176 -3.596 1.084 26 H ASP 4 H ASP 4 -0.148 -5.112 0.461 27 HA ASP 4 HA ASP 4 -2.549 -4.425 -0.719 28 HB2 ASP 4 HB2 ASP 4 -2.859 -6.989 -0.877 29 HB3 ASP 4 HB3 ASP 4 -1.504 -6.231 -1.697 30 H ILE 5 H ILE 5 -4.389 -3.867 0.180 31 HA ILE 5 HA ILE 5 -5.080 -4.605 2.837 32 HB ILE 5 HB ILE 5 -5.814 -2.463 1.648 33 HG12 ILE 5 HG12 ILE 5 -7.821 -2.290 2.944 34 HG13 ILE 5 HG13 ILE 5 -8.048 -4.036 2.934 35 HG21 ILE 5 HG21 ILE 5 -7.886 -4.353 0.534 36 HG22 ILE 5 HG22 ILE 5 -6.679 -3.461 -0.396 37 HG23 ILE 5 HG23 ILE 5 -7.962 -2.595 0.447 38 HD11 ILE 5 HD11 ILE 5 -5.803 -2.581 4.304 39 HD12 ILE 5 HD12 ILE 5 -6.113 -4.320 4.341 40 HD13 ILE 5 HD13 ILE 5 -7.263 -3.203 5.075 41 H GLU 6 H GLU 6 -5.924 -5.810 -0.343 42 HA GLU 6 HA GLU 6 -8.243 -7.221 0.338 43 HB2 GLU 6 HB2 GLU 6 -6.241 -8.078 -1.755 44 HB3 GLU 6 HB3 GLU 6 -7.954 -8.467 -1.698 45 HG2 GLU 6 HG2 GLU 6 -7.977 -6.818 -3.254 46 HG3 GLU 6 HG3 GLU 6 -8.208 -5.851 -1.796 47 H HIS 7 H HIS 7 -4.854 -8.236 0.290 48 HA HIS 7 HA HIS 7 -5.306 -10.875 1.118 49 HB2 HIS 7 HB2 HIS 7 -2.910 -9.069 1.316 50 HB3 HIS 7 HB3 HIS 7 -2.891 -10.689 2.006 51 HD1 HIS 7 HD1 HIS 7 -1.234 -9.533 -0.585 52 HD2 HIS 7 HD2 HIS 7 -4.493 -12.123 -0.541 53 HE1 HIS 7 HE1 HIS 7 -1.117 -10.866 -2.728 54 H LYS 8 H LYS 8 -4.812 -7.889 2.988 55 HA LYS 8 HA LYS 8 -4.703 -9.117 5.528 56 HB2 LYS 8 HB2 LYS 8 -6.052 -6.459 5.182 57 HB3 LYS 8 HB3 LYS 8 -5.026 -7.010 6.492 58 HG2 LYS 8 HG2 LYS 8 -4.214 -6.082 3.763 59 HG3 LYS 8 HG3 LYS 8 -3.824 -5.362 5.323 60 HD2 LYS 8 HD2 LYS 8 -2.505 -7.391 5.866 61 HD3 LYS 8 HD3 LYS 8 -2.826 -7.988 4.234 62 HE2 LYS 8 HE2 LYS 8 -1.895 -5.668 3.508 63 HE3 LYS 8 HE3 LYS 8 -1.162 -5.669 5.114 64 HZ1 LYS 8 HZ1 LYS 8 -0.697 -7.535 2.863 65 HZ2 LYS 8 HZ2 LYS 8 -0.280 -7.959 4.455 66 HZ3 LYS 8 HZ3 LYS 8 0.440 -6.608 3.719 67 H VAL 9 H VAL 9 -7.425 -7.680 3.739 68 HA VAL 9 HA VAL 9 -9.489 -8.235 5.494 69 HB VAL 9 HB VAL 9 -9.615 -8.457 2.480 70 HG11 VAL 9 HG11 VAL 9 -11.561 -9.441 3.538 71 HG12 VAL 9 HG12 VAL 9 -11.999 -7.913 2.775 72 HG13 VAL 9 HG13 VAL 9 -11.785 -7.997 4.523 73 HG21 VAL 9 HG21 VAL 9 -8.704 -6.308 3.280 74 HG22 VAL 9 HG22 VAL 9 -10.172 -6.070 4.228 75 HG23 VAL 9 HG23 VAL 9 -10.259 -6.140 2.468 76 H TYR 10 H TYR 10 -8.145 -10.329 2.960 77 HA TYR 10 HA TYR 10 -9.928 -12.475 3.383 78 HB2 TYR 10 HB2 TYR 10 -7.101 -12.614 2.324 79 HB3 TYR 10 HB3 TYR 10 -8.329 -13.852 2.142 80 HD1 TYR 10 HD2 TYR 10 -10.405 -11.326 1.634 81 HD2 TYR 10 HD1 TYR 10 -6.856 -12.848 -0.159 82 HE1 TYR 10 HE2 TYR 10 -11.073 -10.340 -0.519 83 HE2 TYR 10 HE1 TYR 10 -7.513 -11.863 -2.310 84 HH TYR 10 HH TYR 10 -9.669 -11.192 -3.433 85 H GLN 11 H GLN 11 -6.691 -11.771 4.626 86 HA GLN 11 HA GLN 11 -6.045 -14.143 5.814 87 HB2 GLN 11 HB2 GLN 11 -5.379 -11.327 6.583 88 HB3 GLN 11 HB3 GLN 11 -4.739 -12.695 7.487 89 HG2 GLN 11 HG2 GLN 11 -4.338 -12.159 4.554 90 HG3 GLN 11 HG3 GLN 11 -3.151 -11.900 5.830 91 HE21 GLN 11 HE21 GLN 11 -3.862 -14.319 7.271 92 HE22 GLN 11 HE22 GLN 11 -3.221 -15.637 6.352 93 H LEU 12 H LEU 12 -7.943 -11.546 7.280 94 HA LEU 12 HA LEU 12 -8.249 -13.196 9.664 95 HB2 LEU 12 HB2 LEU 12 -9.651 -10.986 10.272 96 HB3 LEU 12 HB3 LEU 12 -7.937 -11.169 10.551 97 HG LEU 12 HG LEU 12 -7.684 -10.091 8.198 98 HD11 LEU 12 HD11 LEU 12 -9.989 -10.148 7.526 99 HD12 LEU 12 HD12 LEU 12 -9.477 -8.469 7.713 100 HD13 LEU 12 HD13 LEU 12 -10.467 -9.231 8.957 101 HD21 LEU 12 HD21 LEU 12 -6.946 -9.075 10.278 102 HD22 LEU 12 HD22 LEU 12 -8.582 -8.496 10.592 103 HD23 LEU 12 HD23 LEU 12 -7.675 -7.872 9.213 104 H LEU 13 H LEU 13 -10.282 -11.751 7.135 105 HA LEU 13 HA LEU 13 -12.729 -12.474 8.320 106 HB2 LEU 13 HB2 LEU 13 -12.000 -11.931 5.463 107 HB3 LEU 13 HB3 LEU 13 -13.640 -12.306 5.965 108 HG LEU 13 HG LEU 13 -11.986 -9.895 6.654 109 HD11 LEU 13 HD11 LEU 13 -14.701 -10.296 5.415 110 HD12 LEU 13 HD12 LEU 13 -13.222 -9.818 4.583 111 HD13 LEU 13 HD13 LEU 13 -13.957 -8.736 5.765 112 HD21 LEU 13 HD21 LEU 13 -12.981 -10.682 8.723 113 HD22 LEU 13 HD22 LEU 13 -14.556 -10.802 7.940 114 HD23 LEU 13 HD23 LEU 13 -13.802 -9.223 8.161 115 H LYS 14 H LYS 14 -10.802 -14.198 5.875 116 HA LYS 14 HA LYS 14 -12.639 -16.346 5.599 117 HB2 LYS 14 HB2 LYS 14 -10.951 -17.499 4.395 118 HB3 LYS 14 HB3 LYS 14 -10.719 -15.796 4.025 119 HG2 LYS 14 HG2 LYS 14 -8.920 -15.702 5.695 120 HG3 LYS 14 HG3 LYS 14 -9.135 -17.426 5.992 121 HD2 LYS 14 HD2 LYS 14 -8.581 -17.885 3.646 122 HD3 LYS 14 HD3 LYS 14 -8.335 -16.156 3.376 123 HE2 LYS 14 HE2 LYS 14 -6.211 -17.319 3.740 124 HE3 LYS 14 HE3 LYS 14 -6.532 -16.138 5.009 125 HZ1 LYS 14 HZ1 LYS 14 -5.681 -18.317 5.810 126 HZ2 LYS 14 HZ2 LYS 14 -7.121 -19.037 5.279 127 HZ3 LYS 14 HZ3 LYS 14 -7.159 -17.864 6.505 128 H ASP 15 H ASP 15 -10.340 -15.518 7.991 129 HA ASP 15 HA ASP 15 -10.216 -18.174 9.136 130 HB2 ASP 15 HB2 ASP 15 -8.806 -15.594 9.510 131 HB3 ASP 15 HB3 ASP 15 -8.892 -16.656 10.904 132 H GLN 16 H GLN 16 -12.044 -15.293 9.478 133 HA GLN 16 HA GLN 16 -13.069 -15.920 12.103 134 HB2 GLN 16 HB2 GLN 16 -14.293 -14.095 10.018 135 HB3 GLN 16 HB3 GLN 16 -14.667 -14.136 11.734 136 HG2 GLN 16 HG2 GLN 16 -12.059 -13.648 11.845 137 HG3 GLN 16 HG3 GLN 16 -12.423 -12.927 10.286 138 HE21 GLN 16 HE21 GLN 16 -12.142 -10.855 10.917 139 HE22 GLN 16 HE22 GLN 16 -13.185 -10.023 12.016 140 H GLY 17 H GLY 17 -13.427 -17.178 9.080 141 HA2 GLY 17 HA2 GLY 17 -14.841 -18.979 8.526 142 HA3 GLY 17 HA3 GLY 17 -15.940 -18.467 9.801 143 H CYS 18 H CYS 18 -14.571 -16.276 7.423 144 HA CYS 18 HA CYS 18 -17.236 -16.193 6.138 145 HB2 CYS 18 HB2 CYS 18 -16.342 -14.119 7.427 146 HB3 CYS 18 HB3 CYS 18 -15.289 -13.908 6.028 147 H GLU 19 H GLU 19 -17.329 -16.457 3.927 148 HA GLU 19 HA GLU 19 -14.776 -16.131 2.460 149 HB2 GLU 19 HB2 GLU 19 -15.326 -17.927 0.982 150 HB3 GLU 19 HB3 GLU 19 -15.536 -18.523 2.623 151 HG2 GLU 19 HG2 GLU 19 -17.791 -17.539 0.900 152 HG3 GLU 19 HG3 GLU 19 -17.303 -19.224 1.020 153 H ASP 20 H ASP 20 -17.779 -14.915 2.942 154 HA ASP 20 HA ASP 20 -18.368 -14.274 0.179 155 HB2 ASP 20 HB2 ASP 20 -20.181 -15.123 1.636 156 HB3 ASP 20 HB3 ASP 20 -19.974 -13.720 2.680 157 H PHE 21 H PHE 21 -16.622 -12.844 -0.097 158 HA PHE 21 HA PHE 21 -17.369 -10.118 0.252 159 HB2 PHE 21 HB2 PHE 21 -15.164 -9.492 1.413 160 HB3 PHE 21 HB3 PHE 21 -16.443 -10.169 2.413 161 HD1 PHE 21 HD1 PHE 21 -13.190 -10.875 0.816 162 HD2 PHE 21 HD2 PHE 21 -16.171 -12.221 3.536 163 HE1 PHE 21 HE1 PHE 21 -11.646 -12.596 1.660 164 HE2 PHE 21 HE2 PHE 21 -14.644 -13.941 4.375 165 HZ PHE 21 HZ PHE 21 -12.360 -14.130 3.449 166 H GLY 22 H GLY 22 -15.889 -8.641 -0.841 167 HA2 GLY 22 HA2 GLY 22 -13.573 -9.265 -2.190 168 HA3 GLY 22 HA3 GLY 22 -14.871 -9.784 -3.257 169 H THR 23 H THR 23 -13.238 -7.848 -4.207 170 HA THR 23 HA THR 23 -14.491 -5.272 -3.622 171 HB THR 23 HB THR 23 -12.765 -4.330 -5.160 172 HG1 THR 23 HG1 THR 23 -12.125 -7.069 -5.390 173 HG21 THR 23 HG21 THR 23 -11.697 -6.024 -2.906 174 HG22 THR 23 HG22 THR 23 -12.383 -4.407 -2.754 175 HG23 THR 23 HG23 THR 23 -10.878 -4.645 -3.641 176 H LYS 24 H LYS 24 -15.565 -4.028 -5.129 177 HA LYS 24 HA LYS 24 -16.139 -5.345 -7.698 178 HB2 LYS 24 HB2 LYS 24 -18.302 -4.337 -7.764 179 HB3 LYS 24 HB3 LYS 24 -18.137 -5.106 -6.198 180 HG2 LYS 24 HG2 LYS 24 -19.085 -3.150 -5.554 181 HG3 LYS 24 HG3 LYS 24 -17.395 -2.660 -5.485 182 HD2 LYS 24 HD2 LYS 24 -17.539 -1.500 -7.528 183 HD3 LYS 24 HD3 LYS 24 -19.060 -2.283 -7.959 184 HE2 LYS 24 HE2 LYS 24 -18.752 -0.437 -5.600 185 HE3 LYS 24 HE3 LYS 24 -19.246 0.112 -7.201 186 HZ1 LYS 24 HZ1 LYS 24 -21.245 -0.995 -7.062 187 HZ2 LYS 24 HZ2 LYS 24 -21.041 -0.484 -5.460 188 HZ3 LYS 24 HZ3 LYS 24 -20.701 -2.088 -5.893 189 H CYS 25 H CYS 25 -15.998 -4.098 -9.556 190 HA CYS 25 HA CYS 25 -14.894 -1.403 -9.188 191 HB2 CYS 25 HB2 CYS 25 -13.821 -3.336 -11.243 192 HB3 CYS 25 HB3 CYS 25 -13.136 -1.797 -10.742 193 HG CYS 25 HG CYS 25 -12.822 -2.954 -8.024 194 H VAL 26 H VAL 26 -16.821 -0.457 -9.799 195 HA VAL 26 HA VAL 26 -17.685 -0.982 -12.565 196 HB VAL 26 HB VAL 26 -19.433 -1.464 -10.892 197 HG11 VAL 26 HG11 VAL 26 -19.213 1.457 -10.172 198 HG12 VAL 26 HG12 VAL 26 -18.752 0.095 -9.150 199 HG13 VAL 26 HG13 VAL 26 -20.444 0.338 -9.587 200 HG21 VAL 26 HG21 VAL 26 -21.219 -0.108 -11.879 201 HG22 VAL 26 HG22 VAL 26 -20.102 -0.711 -13.103 202 HG23 VAL 26 HG23 VAL 26 -20.010 0.971 -12.578 203 H ILE 27 H ILE 27 -17.922 0.765 -13.960 204 HA ILE 27 HA ILE 27 -16.501 3.152 -13.127 205 HB ILE 27 HB ILE 27 -17.571 2.280 -15.803 206 HG12 ILE 27 HG12 ILE 27 -14.762 2.745 -14.772 207 HG13 ILE 27 HG13 ILE 27 -15.520 1.169 -14.988 208 HG21 ILE 27 HG21 ILE 27 -16.556 4.285 -16.747 209 HG22 ILE 27 HG22 ILE 27 -16.105 4.827 -15.129 210 HG23 ILE 27 HG23 ILE 27 -17.808 4.707 -15.575 211 HD11 ILE 27 HD11 ILE 27 -14.921 3.147 -17.170 212 HD12 ILE 27 HD12 ILE 27 -15.661 1.560 -17.385 213 HD13 ILE 27 HD13 ILE 27 -13.999 1.689 -16.808 214 H GLU 28 H GLU 28 -17.410 4.911 -12.458 215 HA GLU 28 HA GLU 28 -20.246 5.379 -13.072 216 HB2 GLU 28 HB2 GLU 28 -18.570 6.374 -10.762 217 HB3 GLU 28 HB3 GLU 28 -20.221 6.897 -11.087 218 HG2 GLU 28 HG2 GLU 28 -20.814 4.405 -10.969 219 HG3 GLU 28 HG3 GLU 28 -19.234 4.208 -10.214 220 H GLU 29 H GLU 29 -20.003 6.374 -14.992 221 HA GLU 29 HA GLU 29 -18.062 8.426 -15.426 222 HB2 GLU 29 HB2 GLU 29 -19.031 8.651 -17.638 223 HB3 GLU 29 HB3 GLU 29 -18.816 6.951 -17.254 224 HG2 GLU 29 HG2 GLU 29 -21.429 8.438 -17.058 225 HG3 GLU 29 HG3 GLU 29 -20.928 7.462 -18.434 226 H VAL 30 H VAL 30 -18.283 10.589 -15.282 227 HA VAL 30 HA VAL 30 -20.756 11.593 -14.132 228 HB VAL 30 HB VAL 30 -18.114 12.968 -14.649 229 HG11 VAL 30 HG11 VAL 30 -18.999 14.817 -13.318 230 HG12 VAL 30 HG12 VAL 30 -20.566 14.011 -13.235 231 HG13 VAL 30 HG13 VAL 30 -19.945 14.575 -14.787 232 HG21 VAL 30 HG21 VAL 30 -17.941 12.941 -12.191 233 HG22 VAL 30 HG22 VAL 30 -17.997 11.321 -12.884 234 HG23 VAL 30 HG23 VAL 30 -19.433 12.001 -12.117 235 H LYS 31 H LYS 31 -22.305 11.922 -15.560 236 HA LYS 31 HA LYS 31 -21.664 12.633 -18.274 237 HB2 LYS 31 HB2 LYS 31 -24.118 12.432 -18.680 238 HB3 LYS 31 HB3 LYS 31 -23.367 10.980 -18.046 239 HG2 LYS 31 HG2 LYS 31 -24.829 12.928 -16.286 240 HG3 LYS 31 HG3 LYS 31 -25.644 11.610 -17.124 241 HD2 LYS 31 HD2 LYS 31 -23.386 11.322 -15.141 242 HD3 LYS 31 HD3 LYS 31 -25.090 11.000 -14.820 243 HE2 LYS 31 HE2 LYS 31 -25.082 9.202 -16.450 244 HE3 LYS 31 HE3 LYS 31 -23.407 9.563 -16.869 245 HZ1 LYS 31 HZ1 LYS 31 -22.781 9.019 -14.580 246 HZ2 LYS 31 HZ2 LYS 31 -23.492 7.700 -15.372 247 HZ3 LYS 31 HZ3 LYS 31 -24.388 8.594 -14.237 248 H SER 32 H SER 32 -20.839 14.671 -18.127 249 HA SER 32 HA SER 32 -22.609 16.823 -17.259 250 HB2 SER 32 HB2 SER 32 -20.151 16.848 -16.721 251 HB3 SER 32 HB3 SER 32 -19.824 16.990 -18.446 252 HG SER 32 HG SER 32 -21.557 18.868 -17.919 253 H SER 33 H SER 33 -22.402 14.913 -19.809 254 HA SER 33 HA SER 33 -22.560 16.878 -21.931 255 HB2 SER 33 HB2 SER 33 -22.938 13.889 -22.138 256 HB3 SER 33 HB3 SER 33 -22.460 15.013 -23.412 257 HG SER 33 HG SER 33 -20.539 14.289 -22.836 258 H HIS 34 H HIS 34 -24.419 17.674 -22.668 259 HA HIS 34 HA HIS 34 -26.946 16.600 -21.715 260 HB2 HIS 34 HB2 HIS 34 -26.471 18.949 -23.570 261 HB3 HIS 34 HB3 HIS 34 -27.956 18.572 -22.704 262 HD1 HIS 34 HD1 HIS 34 -27.808 18.869 -20.001 263 HD2 HIS 34 HD2 HIS 34 -24.700 20.500 -22.239 264 HE1 HIS 34 HE1 HIS 34 -26.626 20.521 -18.492 265 H LYS 35 H LYS 35 -25.522 17.443 -24.850 266 HA LYS 35 HA LYS 35 -26.742 15.043 -26.007 267 HB2 LYS 35 HB2 LYS 35 -26.695 17.809 -27.234 268 HB3 LYS 35 HB3 LYS 35 -27.080 16.348 -28.131 269 HG2 LYS 35 HG2 LYS 35 -29.015 15.965 -26.698 270 HG3 LYS 35 HG3 LYS 35 -28.621 17.415 -25.772 271 HD2 LYS 35 HD2 LYS 35 -28.971 18.799 -27.729 272 HD3 LYS 35 HD3 LYS 35 -29.245 17.368 -28.724 273 HE2 LYS 35 HE2 LYS 35 -31.362 18.379 -28.163 274 HE3 LYS 35 HE3 LYS 35 -31.216 16.822 -27.351 275 HZ1 LYS 35 HZ1 LYS 35 -30.575 18.012 -25.319 276 HZ2 LYS 35 HZ2 LYS 35 -32.120 18.455 -25.857 277 HZ3 LYS 35 HZ3 LYS 35 -30.805 19.495 -26.114 278 H THR 36 H THR 36 -25.595 14.512 -28.165 279 HA THR 36 HA THR 36 -22.842 15.452 -28.213 280 HB THR 36 HB THR 36 -22.834 13.514 -26.671 281 HG1 THR 36 HG1 THR 36 -20.931 13.008 -27.456 282 HG21 THR 36 HG21 THR 36 -23.218 11.267 -27.535 283 HG22 THR 36 HG22 THR 36 -23.676 11.934 -29.103 284 HG23 THR 36 HG23 THR 36 -24.678 12.242 -27.684 285 H LEU 37 H LEU 37 -21.640 14.227 -30.080 286 HA LEU 37 HA LEU 37 -23.433 14.559 -32.381 287 HB2 LEU 37 HB2 LEU 37 -20.446 14.913 -32.223 288 HB3 LEU 37 HB3 LEU 37 -21.421 15.162 -33.657 289 HG LEU 37 HG LEU 37 -21.602 16.776 -31.110 290 HD11 LEU 37 HD11 LEU 37 -20.507 17.488 -33.826 291 HD12 LEU 37 HD12 LEU 37 -19.561 17.215 -32.363 292 HD13 LEU 37 HD13 LEU 37 -20.667 18.585 -32.454 293 HD21 LEU 37 HD21 LEU 37 -23.130 18.208 -32.337 294 HD22 LEU 37 HD22 LEU 37 -23.761 16.562 -32.270 295 HD23 LEU 37 HD23 LEU 37 -23.011 17.161 -33.750 296 H LEU 38 H LEU 38 -21.919 12.136 -30.728 297 HA LEU 38 HA LEU 38 -21.963 10.467 -33.142 298 HB2 LEU 38 HB2 LEU 38 -20.086 9.197 -32.502 299 HB3 LEU 38 HB3 LEU 38 -19.618 10.868 -32.315 300 HG LEU 38 HG LEU 38 -20.251 8.909 -30.091 301 HD11 LEU 38 HD11 LEU 38 -18.083 8.620 -31.172 302 HD12 LEU 38 HD12 LEU 38 -17.928 9.191 -29.511 303 HD13 LEU 38 HD13 LEU 38 -17.704 10.314 -30.854 304 HD21 LEU 38 HD21 LEU 38 -19.510 11.823 -29.916 305 HD22 LEU 38 HD22 LEU 38 -19.609 10.696 -28.563 306 HD23 LEU 38 HD23 LEU 38 -21.061 11.109 -29.473 307 H ASN 39 H ASN 39 -21.830 7.988 -32.155 308 HA ASN 39 HA ASN 39 -24.394 7.367 -31.392 309 HB2 ASN 39 HB2 ASN 39 -22.759 5.728 -32.232 310 HB3 ASN 39 HB3 ASN 39 -21.868 5.854 -30.715 311 HD21 ASN 39 HD21 ASN 39 -22.677 4.855 -28.875 312 HD22 ASN 39 HD22 ASN 39 -23.975 3.706 -28.932 313 H THR 40 H THR 40 -21.621 7.105 -29.216 314 HA THR 40 HA THR 40 -23.186 8.318 -27.057 315 HB THR 40 HB THR 40 -21.823 6.576 -25.594 316 HG1 THR 40 HG1 THR 40 -21.480 4.652 -26.601 317 HG21 THR 40 HG21 THR 40 -24.398 5.872 -27.016 318 HG22 THR 40 HG22 THR 40 -24.259 6.842 -25.550 319 HG23 THR 40 HG23 THR 40 -23.813 5.135 -25.524 320 H GLU 41 H GLU 41 -21.749 9.084 -25.297 321 HA GLU 41 HA GLU 41 -19.581 10.550 -26.207 322 HB2 GLU 41 HB2 GLU 41 -20.325 9.626 -23.437 323 HB3 GLU 41 HB3 GLU 41 -18.950 10.678 -23.742 324 HG2 GLU 41 HG2 GLU 41 -21.789 11.307 -24.516 325 HG3 GLU 41 HG3 GLU 41 -20.988 11.888 -23.056 326 H LEU 42 H LEU 42 -18.170 9.421 -27.366 327 HA LEU 42 HA LEU 42 -16.977 7.084 -27.256 328 HB2 LEU 42 HB2 LEU 42 -16.320 8.797 -28.838 329 HB3 LEU 42 HB3 LEU 42 -15.519 9.705 -27.571 330 HG LEU 42 HG LEU 42 -13.904 7.841 -27.303 331 HD11 LEU 42 HD11 LEU 42 -13.784 6.113 -29.017 332 HD12 LEU 42 HD12 LEU 42 -15.263 6.731 -29.753 333 HD13 LEU 42 HD13 LEU 42 -15.309 6.031 -28.135 334 HD21 LEU 42 HD21 LEU 42 -12.666 8.292 -29.360 335 HD22 LEU 42 HD22 LEU 42 -13.359 9.766 -28.683 336 HD23 LEU 42 HD23 LEU 42 -14.114 8.995 -30.079 337 H HIS 43 H HIS 43 -15.492 9.785 -25.473 338 HA HIS 43 HA HIS 43 -15.169 8.077 -23.148 339 HB2 HIS 43 HB2 HIS 43 -13.043 7.806 -24.386 340 HB3 HIS 43 HB3 HIS 43 -12.825 9.553 -24.378 341 HD1 HIS 43 HD1 HIS 43 -12.126 10.651 -22.094 342 HD2 HIS 43 HD2 HIS 43 -12.451 6.502 -22.010 343 HE1 HIS 43 HE1 HIS 43 -11.029 9.896 -19.950 344 H LEU 44 H LEU 44 -16.441 9.274 -21.874 345 HA LEU 44 HA LEU 44 -15.958 12.150 -21.694 346 HB2 LEU 44 HB2 LEU 44 -18.014 12.386 -20.619 347 HB3 LEU 44 HB3 LEU 44 -18.306 11.200 -21.871 348 HG LEU 44 HG LEU 44 -17.819 10.482 -18.979 349 HD11 LEU 44 HD11 LEU 44 -19.815 11.859 -19.191 350 HD12 LEU 44 HD12 LEU 44 -20.236 10.184 -18.827 351 HD13 LEU 44 HD13 LEU 44 -20.418 10.803 -20.469 352 HD21 LEU 44 HD21 LEU 44 -18.896 8.352 -19.670 353 HD22 LEU 44 HD22 LEU 44 -17.355 8.645 -20.471 354 HD23 LEU 44 HD23 LEU 44 -18.866 8.916 -21.342 355 H THR 45 H THR 45 -16.398 12.809 -19.166 356 HA THR 45 HA THR 45 -14.054 11.844 -17.841 357 HB THR 45 HB THR 45 -16.202 13.554 -16.624 358 HG1 THR 45 HG1 THR 45 -14.695 14.085 -18.793 359 HG21 THR 45 HG21 THR 45 -13.223 13.395 -16.166 360 HG22 THR 45 HG22 THR 45 -14.468 12.748 -15.099 361 HG23 THR 45 HG23 THR 45 -14.333 14.490 -15.341 362 H LYS 46 H LYS 46 -14.244 9.767 -17.309 363 HA LYS 46 HA LYS 46 -16.546 8.929 -15.715 364 HB2 LYS 46 HB2 LYS 46 -16.498 6.933 -16.755 365 HB3 LYS 46 HB3 LYS 46 -15.535 7.780 -17.957 366 HG2 LYS 46 HG2 LYS 46 -14.298 6.346 -15.628 367 HG3 LYS 46 HG3 LYS 46 -14.670 5.540 -17.151 368 HD2 LYS 46 HD2 LYS 46 -13.095 6.796 -18.331 369 HD3 LYS 46 HD3 LYS 46 -13.023 8.046 -17.081 370 HE2 LYS 46 HE2 LYS 46 -11.843 6.637 -15.607 371 HE3 LYS 46 HE3 LYS 46 -12.159 5.213 -16.593 372 HZ1 LYS 46 HZ1 LYS 46 -9.866 6.116 -16.781 373 HZ2 LYS 46 HZ2 LYS 46 -10.506 7.502 -17.517 374 HZ3 LYS 46 HZ3 LYS 46 -10.681 5.989 -18.260 375 H TYR 47 H TYR 47 -16.180 7.504 -13.906 376 HA TYR 47 HA TYR 47 -13.509 7.779 -12.730 377 HB2 TYR 47 HB2 TYR 47 -16.164 8.381 -11.419 378 HB3 TYR 47 HB3 TYR 47 -14.685 8.115 -10.502 379 HD1 TYR 47 HD2 TYR 47 -16.357 10.370 -12.913 380 HD2 TYR 47 HD1 TYR 47 -13.017 9.805 -10.340 381 HE1 TYR 47 HE2 TYR 47 -15.745 12.728 -13.192 382 HE2 TYR 47 HE1 TYR 47 -12.401 12.164 -10.614 383 HH TYR 47 HH TYR 47 -14.471 14.469 -11.943 384 H TYR 48 H TYR 48 -12.780 6.054 -11.592 385 HA TYR 48 HA TYR 48 -14.209 3.567 -11.944 386 HB2 TYR 48 HB2 TYR 48 -11.489 4.319 -10.918 387 HB3 TYR 48 HB3 TYR 48 -12.127 2.706 -10.624 388 HD1 TYR 48 HD2 TYR 48 -13.141 4.270 -13.721 389 HD2 TYR 48 HD1 TYR 48 -10.137 1.887 -11.887 390 HE1 TYR 48 HE2 TYR 48 -12.369 3.543 -15.940 391 HE2 TYR 48 HE1 TYR 48 -9.361 1.151 -14.095 392 HH TYR 48 HH TYR 48 -10.308 0.918 -16.390 393 H GLY 49 H GLY 49 -15.841 3.194 -10.605 394 HA2 GLY 49 HA2 GLY 49 -15.814 4.146 -7.870 395 HA3 GLY 49 HA3 GLY 49 -17.107 3.251 -8.660 396 H PHE 50 H PHE 50 -13.855 2.907 -7.324 397 HA PHE 50 HA PHE 50 -14.015 0.070 -7.051 398 HB2 PHE 50 HB2 PHE 50 -12.117 2.203 -6.235 399 HB3 PHE 50 HB3 PHE 50 -12.101 0.728 -5.276 400 HD1 PHE 50 HD2 PHE 50 -11.602 -1.432 -6.350 401 HD2 PHE 50 HD1 PHE 50 -11.167 2.258 -8.432 402 HE1 PHE 50 HE2 PHE 50 -10.175 -2.537 -8.019 403 HE2 PHE 50 HE1 PHE 50 -9.754 1.159 -10.087 404 HZ PHE 50 HZ PHE 50 -9.234 -1.235 -9.877 405 H SER 51 H SER 51 -14.836 -1.108 -5.422 406 HA SER 51 HA SER 51 -15.303 0.116 -2.825 407 HB2 SER 51 HB2 SER 51 -17.569 -1.253 -4.282 408 HB3 SER 51 HB3 SER 51 -17.642 -0.397 -2.741 409 HG SER 51 HG SER 51 -16.655 1.260 -4.565 410 H PHE 52 H PHE 52 -15.616 -1.424 -1.153 411 HA PHE 52 HA PHE 52 -14.991 -4.182 -1.966 412 HB2 PHE 52 HB2 PHE 52 -13.342 -3.043 -0.409 413 HB3 PHE 52 HB3 PHE 52 -14.622 -3.024 0.802 414 HD1 PHE 52 HD2 PHE 52 -15.479 -5.126 1.745 415 HD2 PHE 52 HD1 PHE 52 -12.206 -5.071 -0.974 416 HE1 PHE 52 HE2 PHE 52 -14.918 -7.435 2.377 417 HE2 PHE 52 HE1 PHE 52 -11.643 -7.380 -0.350 418 HZ PHE 52 HZ PHE 52 -12.999 -8.563 1.327 419 H PHE 53 H PHE 53 -16.487 -5.635 -1.734 420 HA PHE 53 HA PHE 53 -18.926 -4.999 -0.248 421 HB2 PHE 53 HB2 PHE 53 -18.275 -6.596 -2.635 422 HB3 PHE 53 HB3 PHE 53 -19.456 -7.326 -1.554 423 HD1 PHE 53 HD2 PHE 53 -18.724 -4.323 -3.578 424 HD2 PHE 53 HD1 PHE 53 -21.643 -6.549 -1.439 425 HE1 PHE 53 HE2 PHE 53 -20.498 -2.899 -4.523 426 HE2 PHE 53 HE1 PHE 53 -23.419 -5.130 -2.376 427 HZ PHE 53 HZ PHE 53 -22.848 -3.301 -3.919 428 H ARG 54 H ARG 54 -19.604 -6.164 1.428 429 HA ARG 54 HA ARG 54 -18.402 -8.751 2.028 430 HB2 ARG 54 HB2 ARG 54 -17.233 -6.670 3.204 431 HB3 ARG 54 HB3 ARG 54 -18.607 -6.803 4.289 432 HG2 ARG 54 HG2 ARG 54 -16.999 -9.238 3.699 433 HG3 ARG 54 HG3 ARG 54 -16.351 -8.025 4.802 434 HD2 ARG 54 HD2 ARG 54 -18.345 -8.211 6.187 435 HD3 ARG 54 HD3 ARG 54 -19.019 -9.400 5.074 436 HE ARG 54 HE ARG 54 -16.988 -10.772 5.683 437 HH11 ARG 54 1HH1 ARG 54 -18.345 -8.428 7.876 438 HH12 ARG 54 2HH1 ARG 54 -17.805 -9.249 9.307 439 HH21 ARG 54 1HH2 ARG 54 -16.264 -11.867 7.591 440 HH22 ARG 54 2HH2 ARG 54 -16.634 -11.194 9.147 441 H HIS 55 H HIS 55 -20.242 -9.912 1.923 442 HA HIS 55 HA HIS 55 -22.366 -10.631 2.235 443 HB2 HIS 55 HB2 HIS 55 -21.946 -9.013 4.706 444 HB3 HIS 55 HB3 HIS 55 -23.565 -9.602 4.342 445 HD1 HIS 55 HD1 HIS 55 -24.064 -11.925 5.122 446 HD2 HIS 55 HD2 HIS 55 -19.983 -11.172 4.782 447 HE1 HIS 55 HE1 HIS 55 -22.869 -14.007 5.975 448 H GLY 56 H GLY 56 -21.937 -8.470 0.469 449 HA2 GLY 56 HA2 GLY 56 -23.351 -7.250 -0.899 450 HA3 GLY 56 HA3 GLY 56 -24.667 -7.596 0.213 451 H ASN 57 H ASN 57 -22.342 -6.421 2.156 452 HA ASN 57 HA ASN 57 -23.472 -3.730 2.056 453 HB2 ASN 57 HB2 ASN 57 -21.540 -4.839 4.103 454 HB3 ASN 57 HB3 ASN 57 -22.478 -3.357 4.222 455 HD21 ASN 57 HD21 ASN 57 -22.444 -6.736 4.543 456 HD22 ASN 57 HD22 ASN 57 -24.023 -6.930 5.230 457 H ILE 58 H ILE 58 -21.884 -1.959 2.567 458 HA ILE 58 HA ILE 58 -19.526 -2.290 0.843 459 HB ILE 58 HB ILE 58 -21.165 0.163 1.453 460 HG12 ILE 58 HG12 ILE 58 -21.886 -1.381 -0.362 461 HG13 ILE 58 HG13 ILE 58 -21.481 0.231 -0.948 462 HG21 ILE 58 HG21 ILE 58 -18.489 0.038 0.057 463 HG22 ILE 58 HG22 ILE 58 -18.812 0.794 1.617 464 HG23 ILE 58 HG23 ILE 58 -19.531 1.460 0.150 465 HD11 ILE 58 HD11 ILE 58 -20.627 -1.491 -2.431 466 HD12 ILE 58 HD12 ILE 58 -19.727 -2.210 -1.095 467 HD13 ILE 58 HD13 ILE 58 -19.301 -0.602 -1.680 468 H VAL 59 H VAL 59 -17.800 -2.622 1.941 469 HA VAL 59 HA VAL 59 -17.459 -1.484 4.606 470 HB VAL 59 HB VAL 59 -15.675 -3.360 3.041 471 HG11 VAL 59 HG11 VAL 59 -15.547 -2.500 5.924 472 HG12 VAL 59 HG12 VAL 59 -14.424 -2.031 4.647 473 HG13 VAL 59 HG13 VAL 59 -14.521 -3.713 5.162 474 HG21 VAL 59 HG21 VAL 59 -17.759 -4.429 3.610 475 HG22 VAL 59 HG22 VAL 59 -17.627 -3.877 5.280 476 HG23 VAL 59 HG23 VAL 59 -16.479 -5.059 4.648 477 H ALA 60 H ALA 60 -16.139 -1.302 1.360 478 HA ALA 60 HA ALA 60 -14.702 1.136 2.165 479 HB1 ALA 60 1HB ALA 60 -13.556 -1.040 0.416 480 HB2 ALA 60 HB2 ALA 60 -13.066 -0.678 2.073 481 HB3 ALA 60 HB3 ALA 60 -12.789 0.504 0.793 482 H TYR 61 H TYR 61 -14.714 2.761 0.680 483 HA TYR 61 HA TYR 61 -15.629 2.197 -2.033 484 HB2 TYR 61 HB2 TYR 61 -17.634 2.887 -0.697 485 HB3 TYR 61 HB3 TYR 61 -16.831 4.419 -0.363 486 HD1 TYR 61 HD1 TYR 61 -18.399 2.355 -2.964 487 HD2 TYR 61 HD2 TYR 61 -16.681 6.140 -2.062 488 HE1 TYR 61 HE1 TYR 61 -19.279 3.247 -5.074 489 HE2 TYR 61 HE2 TYR 61 -17.556 7.042 -4.174 490 HH TYR 61 HH TYR 61 -19.840 5.371 -6.095 491 H GLY 62 H GLY 62 -14.523 3.319 -3.512 492 HA2 GLY 62 HA2 GLY 62 -13.283 5.854 -2.858 493 HA3 GLY 62 HA3 GLY 62 -12.158 4.531 -3.146 494 H LYS 63 H LYS 63 -14.405 6.745 -4.565 495 HA LYS 63 HA LYS 63 -13.988 5.609 -7.212 496 HB2 LYS 63 HB2 LYS 63 -16.255 6.109 -6.713 497 HB3 LYS 63 HB3 LYS 63 -15.841 7.706 -6.109 498 HG2 LYS 63 HG2 LYS 63 -15.377 8.504 -8.290 499 HG3 LYS 63 HG3 LYS 63 -15.463 6.875 -8.969 500 HD2 LYS 63 HD2 LYS 63 -17.495 8.224 -9.394 501 HD3 LYS 63 HD3 LYS 63 -17.801 6.742 -8.484 502 HE2 LYS 63 HE2 LYS 63 -17.805 8.053 -6.399 503 HE3 LYS 63 HE3 LYS 63 -17.574 9.523 -7.347 504 HZ1 LYS 63 HZ1 LYS 63 -19.857 7.712 -7.834 505 HZ2 LYS 63 HZ2 LYS 63 -19.687 9.346 -8.274 506 HZ3 LYS 63 HZ3 LYS 63 -19.926 8.926 -6.649 507 H SER 64 H SER 64 -12.517 6.411 -8.542 508 HA SER 64 HA SER 64 -11.895 9.240 -8.519 509 HB2 SER 64 HB2 SER 64 -9.745 7.164 -8.036 510 HB3 SER 64 HB3 SER 64 -9.454 8.875 -8.353 511 HG SER 64 HG SER 64 -11.238 8.399 -6.322 512 H ARG 65 H ARG 65 -10.545 9.855 -10.365 513 HA ARG 65 HA ARG 65 -11.417 8.476 -12.729 514 HB2 ARG 65 HB2 ARG 65 -11.070 11.001 -12.409 515 HB3 ARG 65 HB3 ARG 65 -9.353 10.674 -12.596 516 HG2 ARG 65 HG2 ARG 65 -9.790 9.731 -14.819 517 HG3 ARG 65 HG3 ARG 65 -11.504 10.113 -14.627 518 HD2 ARG 65 HD2 ARG 65 -9.192 12.038 -14.746 519 HD3 ARG 65 HD3 ARG 65 -10.500 11.858 -15.915 520 HE ARG 65 HE ARG 65 -11.817 12.498 -13.651 521 HH11 ARG 65 1HH1 ARG 65 -9.083 13.949 -15.303 522 HH12 ARG 65 2HH1 ARG 65 -9.426 15.553 -14.709 523 HH21 ARG 65 1HH2 ARG 65 -12.257 14.619 -12.868 524 HH22 ARG 65 2HH2 ARG 65 -11.214 15.929 -13.346 525 H LYS 66 H LYS 66 -8.611 8.608 -10.745 526 HA LYS 66 HA LYS 66 -7.013 7.021 -12.610 527 HB2 LYS 66 HB2 LYS 66 -5.969 8.944 -11.453 528 HB3 LYS 66 HB3 LYS 66 -6.329 8.198 -9.905 529 HG2 LYS 66 HG2 LYS 66 -4.880 6.278 -10.580 530 HG3 LYS 66 HG3 LYS 66 -4.421 7.207 -12.009 531 HD2 LYS 66 HD2 LYS 66 -4.030 8.064 -9.143 532 HD3 LYS 66 HD3 LYS 66 -2.771 7.448 -10.213 533 HE2 LYS 66 HE2 LYS 66 -4.406 9.883 -10.869 534 HE3 LYS 66 HE3 LYS 66 -2.915 9.970 -9.936 535 HZ1 LYS 66 HZ1 LYS 66 -3.122 8.815 -12.665 536 HZ2 LYS 66 HZ2 LYS 66 -1.702 9.058 -11.770 537 HZ3 LYS 66 HZ3 LYS 66 -2.595 10.388 -12.320 538 H VAL 67 H VAL 67 -6.955 4.865 -12.438 539 HA VAL 67 HA VAL 67 -8.543 3.406 -10.674 540 HB VAL 67 HB VAL 67 -7.703 2.501 -12.803 541 HG11 VAL 67 HG11 VAL 67 -5.437 1.632 -12.986 542 HG12 VAL 67 HG12 VAL 67 -5.062 2.284 -11.391 543 HG13 VAL 67 HG13 VAL 67 -5.441 3.377 -12.723 544 HG21 VAL 67 HG21 VAL 67 -8.531 0.851 -11.352 545 HG22 VAL 67 HG22 VAL 67 -7.102 0.919 -10.324 546 HG23 VAL 67 HG23 VAL 67 -6.994 0.226 -11.942 547 H ALA 68 H ALA 68 -5.123 4.258 -10.443 548 HA ALA 68 HA ALA 68 -4.488 2.731 -8.180 549 HB1 ALA 68 1HB ALA 68 -3.269 5.313 -9.145 550 HB2 ALA 68 HB2 ALA 68 -2.780 3.684 -9.609 551 HB3 ALA 68 HB3 ALA 68 -2.558 4.231 -7.948 552 H ASN 69 H ASN 69 -5.653 6.076 -8.464 553 HA ASN 69 HA ASN 69 -5.461 6.651 -5.684 554 HB2 ASN 69 HB2 ASN 69 -5.625 8.323 -7.629 555 HB3 ASN 69 HB3 ASN 69 -7.351 8.007 -7.612 556 HD21 ASN 69 HD21 ASN 69 -7.514 7.763 -4.697 557 HD22 ASN 69 HD22 ASN 69 -7.334 9.370 -4.082 558 H ALA 70 H ALA 70 -8.076 5.597 -7.811 559 HA ALA 70 HA ALA 70 -10.177 5.587 -5.987 560 HB1 ALA 70 1HB ALA 70 -10.417 5.277 -8.418 561 HB2 ALA 70 HB2 ALA 70 -11.265 4.034 -7.494 562 HB3 ALA 70 HB3 ALA 70 -9.721 3.662 -8.263 563 H LYS 71 H LYS 71 -7.935 2.955 -6.838 564 HA LYS 71 HA LYS 71 -8.867 1.067 -4.986 565 HB2 LYS 71 HB2 LYS 71 -6.098 1.478 -6.118 566 HB3 LYS 71 HB3 LYS 71 -6.572 0.082 -5.164 567 HG2 LYS 71 HG2 LYS 71 -8.208 -0.512 -6.825 568 HG3 LYS 71 HG3 LYS 71 -7.769 0.906 -7.774 569 HD2 LYS 71 HD2 LYS 71 -5.939 -1.390 -7.083 570 HD3 LYS 71 HD3 LYS 71 -6.711 -1.127 -8.647 571 HE2 LYS 71 HE2 LYS 71 -5.506 0.979 -8.895 572 HE3 LYS 71 HE3 LYS 71 -4.750 0.739 -7.321 573 HZ1 LYS 71 HZ1 LYS 71 -3.281 0.104 -9.135 574 HZ2 LYS 71 HZ2 LYS 71 -4.413 -1.037 -9.681 575 HZ3 LYS 71 HZ3 LYS 71 -3.664 -1.237 -8.172 576 H TYR 72 H TYR 72 -6.460 3.614 -4.719 577 HA TYR 72 HA TYR 72 -5.308 2.898 -2.328 578 HB2 TYR 72 HB2 TYR 72 -4.182 4.596 -3.432 579 HB3 TYR 72 HB3 TYR 72 -5.659 5.491 -3.775 580 HD1 TYR 72 HD2 TYR 72 -3.327 4.596 -1.005 581 HD2 TYR 72 HD1 TYR 72 -6.287 7.292 -2.444 582 HE1 TYR 72 HE2 TYR 72 -2.878 6.099 0.893 583 HE2 TYR 72 HE1 TYR 72 -5.848 8.799 -0.557 584 HH TYR 72 HH TYR 72 -4.930 8.723 1.684 585 H ILE 73 H ILE 73 -8.109 4.973 -2.882 586 HA ILE 73 HA ILE 73 -8.528 5.789 -0.236 587 HB ILE 73 HB ILE 73 -10.534 5.453 -2.467 588 HG12 ILE 73 HG12 ILE 73 -9.262 8.025 -1.581 589 HG13 ILE 73 HG13 ILE 73 -8.433 6.966 -2.719 590 HG21 ILE 73 HG21 ILE 73 -11.623 5.610 -0.280 591 HG22 ILE 73 HG22 ILE 73 -11.907 7.061 -1.243 592 HG23 ILE 73 HG23 ILE 73 -10.723 7.088 0.064 593 HD11 ILE 73 HD11 ILE 73 -11.157 8.176 -3.098 594 HD12 ILE 73 HD12 ILE 73 -10.321 7.115 -4.235 595 HD13 ILE 73 HD13 ILE 73 -9.659 8.707 -3.866 596 H MET 74 H MET 74 -10.118 3.174 -2.080 597 HA MET 74 HA MET 74 -11.719 2.312 0.071 598 HB2 MET 74 HB2 MET 74 -12.122 0.278 -1.214 599 HB3 MET 74 HB3 MET 74 -12.225 1.696 -2.250 600 HG2 MET 74 HG2 MET 74 -10.237 1.201 -3.327 601 HG3 MET 74 HG3 MET 74 -9.692 0.134 -2.034 602 HE1 MET 74 HE1 MET 74 -9.998 -2.949 -3.960 603 HE2 MET 74 HE2 MET 74 -9.573 -2.264 -2.391 604 HE3 MET 74 HE3 MET 74 -8.936 -1.541 -3.869 605 H LYS 75 H LYS 75 -8.479 1.337 -0.995 606 HA LYS 75 HA LYS 75 -8.120 -0.864 0.674 607 HB2 LYS 75 HB2 LYS 75 -6.172 1.163 -0.404 608 HB3 LYS 75 HB3 LYS 75 -5.651 -0.206 0.565 609 HG2 LYS 75 HG2 LYS 75 -6.347 -1.759 -1.067 610 HG3 LYS 75 HG3 LYS 75 -7.270 -0.535 -1.942 611 HD2 LYS 75 HD2 LYS 75 -5.227 0.612 -2.550 612 HD3 LYS 75 HD3 LYS 75 -4.273 -0.539 -1.616 613 HE2 LYS 75 HE2 LYS 75 -6.033 -1.349 -3.918 614 HE3 LYS 75 HE3 LYS 75 -4.344 -0.893 -4.123 615 HZ1 LYS 75 HZ1 LYS 75 -5.363 -3.159 -2.480 616 HZ2 LYS 75 HZ2 LYS 75 -3.734 -2.689 -2.597 617 HZ3 LYS 75 HZ3 LYS 75 -4.551 -3.268 -3.966 618 H GLN 76 H GLN 76 -7.466 2.562 1.298 619 HA GLN 76 HA GLN 76 -6.456 2.153 3.919 620 HB2 GLN 76 HB2 GLN 76 -7.550 4.614 2.559 621 HB3 GLN 76 HB3 GLN 76 -6.779 4.628 4.136 622 HG2 GLN 76 HG2 GLN 76 -5.519 3.835 1.521 623 HG3 GLN 76 HG3 GLN 76 -5.208 5.305 2.438 624 HE21 GLN 76 HE21 GLN 76 -4.649 1.890 2.218 625 HE22 GLN 76 HE22 GLN 76 -3.389 1.803 3.399 626 H ARG 77 H ARG 77 -9.637 2.143 2.688 627 HA ARG 77 HA ARG 77 -11.005 3.030 5.019 628 HB2 ARG 77 HB2 ARG 77 -11.922 1.235 2.771 629 HB3 ARG 77 HB3 ARG 77 -12.974 1.872 4.028 630 HG2 ARG 77 HG2 ARG 77 -11.376 3.593 2.149 631 HG3 ARG 77 HG3 ARG 77 -13.049 3.108 1.869 632 HD2 ARG 77 HD2 ARG 77 -12.078 4.636 4.281 633 HD3 ARG 77 HD3 ARG 77 -12.825 5.370 2.862 634 HE ARG 77 HE ARG 77 -14.195 3.487 4.690 635 HH11 ARG 77 1HH1 ARG 77 -14.220 6.235 2.509 636 HH12 ARG 77 2HH1 ARG 77 -15.928 6.518 2.677 637 HH21 ARG 77 1HH2 ARG 77 -16.424 3.874 4.942 638 HH22 ARG 77 2HH2 ARG 77 -17.184 5.163 4.053 639 H LEU 78 H LEU 78 -10.764 -0.312 3.708 640 HA LEU 78 HA LEU 78 -11.510 -1.536 6.159 641 HB2 LEU 78 HB2 LEU 78 -9.679 -3.026 4.361 642 HB3 LEU 78 HB3 LEU 78 -11.136 -3.559 5.181 643 HG LEU 78 HG LEU 78 -12.231 -1.885 3.381 644 HD11 LEU 78 HD11 LEU 78 -11.111 -2.185 1.234 645 HD12 LEU 78 HD12 LEU 78 -9.788 -3.036 2.033 646 HD13 LEU 78 HD13 LEU 78 -10.068 -1.327 2.369 647 HD21 LEU 78 HD21 LEU 78 -12.798 -4.229 3.820 648 HD22 LEU 78 HD22 LEU 78 -11.406 -4.729 2.858 649 HD23 LEU 78 HD23 LEU 78 -12.743 -3.871 2.094 650 H LEU 79 H LEU 79 -8.449 -0.476 4.869 651 HA LEU 79 HA LEU 79 -6.640 -1.762 6.515 652 HB2 LEU 79 HB2 LEU 79 -6.063 -0.298 4.612 653 HB3 LEU 79 HB3 LEU 79 -6.559 1.099 5.538 654 HG LEU 79 HG LEU 79 -4.047 0.584 5.300 655 HD11 LEU 79 HD11 LEU 79 -4.930 2.299 6.777 656 HD12 LEU 79 HD12 LEU 79 -3.569 1.459 7.522 657 HD13 LEU 79 HD13 LEU 79 -5.217 1.089 8.029 658 HD21 LEU 79 HD21 LEU 79 -4.111 -1.767 5.851 659 HD22 LEU 79 HD22 LEU 79 -4.790 -1.406 7.438 660 HD23 LEU 79 HD23 LEU 79 -3.147 -0.900 7.047 661 H LYS 80 H LYS 80 -8.417 1.246 7.111 662 HA LYS 80 HA LYS 80 -7.395 1.636 9.720 663 HB2 LYS 80 HB2 LYS 80 -9.377 2.889 8.007 664 HB3 LYS 80 HB3 LYS 80 -9.896 2.847 9.684 665 HG2 LYS 80 HG2 LYS 80 -7.310 3.994 8.664 666 HG3 LYS 80 HG3 LYS 80 -8.725 4.913 9.175 667 HD2 LYS 80 HD2 LYS 80 -7.057 3.096 10.915 668 HD3 LYS 80 HD3 LYS 80 -7.032 4.860 10.930 669 HE2 LYS 80 HE2 LYS 80 -9.416 3.134 11.586 670 HE3 LYS 80 HE3 LYS 80 -8.370 3.916 12.770 671 HZ1 LYS 80 HZ1 LYS 80 -9.007 6.073 11.742 672 HZ2 LYS 80 HZ2 LYS 80 -10.295 5.256 12.480 673 HZ3 LYS 80 HZ3 LYS 80 -10.145 5.244 10.790 674 H LEU 81 H LEU 81 -9.952 -0.315 8.433 675 HA LEU 81 HA LEU 81 -11.410 -0.517 10.882 676 HB2 LEU 81 HB2 LEU 81 -11.550 -2.227 8.405 677 HB3 LEU 81 HB3 LEU 81 -12.702 -2.255 9.727 678 HG LEU 81 HG LEU 81 -12.176 0.068 7.875 679 HD11 LEU 81 HD11 LEU 81 -14.600 -1.681 8.199 680 HD12 LEU 81 HD12 LEU 81 -13.439 -1.774 6.875 681 HD13 LEU 81 HD13 LEU 81 -14.423 -0.325 7.085 682 HD21 LEU 81 HD21 LEU 81 -14.007 1.182 9.024 683 HD22 LEU 81 HD22 LEU 81 -12.690 0.826 10.141 684 HD23 LEU 81 HD23 LEU 81 -14.143 -0.173 10.144 685 H LEU 82 H LEU 82 -9.011 -2.573 9.244 686 HA LEU 82 HA LEU 82 -9.191 -4.571 11.311 687 HB2 LEU 82 HB2 LEU 82 -7.153 -5.535 10.218 688 HB3 LEU 82 HB3 LEU 82 -8.568 -5.395 9.197 689 HG LEU 82 HG LEU 82 -7.181 -3.042 8.716 690 HD11 LEU 82 HD11 LEU 82 -5.193 -3.822 9.823 691 HD12 LEU 82 HD12 LEU 82 -4.920 -3.865 8.077 692 HD13 LEU 82 HD13 LEU 82 -5.261 -5.356 8.956 693 HD21 LEU 82 HD21 LEU 82 -8.369 -4.294 7.063 694 HD22 LEU 82 HD22 LEU 82 -7.263 -5.658 7.233 695 HD23 LEU 82 HD23 LEU 82 -6.690 -4.139 6.549 696 H GLU 83 H GLU 83 -7.328 -1.696 10.774 697 HA GLU 83 HA GLU 83 -5.351 -2.244 12.774 698 HB2 GLU 83 HB2 GLU 83 -6.218 0.257 11.337 699 HB3 GLU 83 HB3 GLU 83 -5.011 0.296 12.614 700 HG2 GLU 83 HG2 GLU 83 -4.792 -1.351 10.106 701 HG3 GLU 83 HG3 GLU 83 -4.061 0.238 10.337 702 H ASP 84 H ASP 84 -8.382 -0.462 12.667 703 HA ASP 84 HA ASP 84 -8.120 0.414 15.428 704 HB2 ASP 84 HB2 ASP 84 -9.004 1.895 13.612 705 HB3 ASP 84 HB3 ASP 84 -10.394 0.825 13.478 706 H LYS 85 H LYS 85 -9.426 -2.161 13.688 707 HA LYS 85 HA LYS 85 -10.664 -3.966 14.209 708 HB2 LYS 85 HB2 LYS 85 -10.273 -2.965 17.026 709 HB3 LYS 85 HB3 LYS 85 -11.022 -4.506 16.621 710 HG2 LYS 85 HG2 LYS 85 -8.226 -3.671 15.883 711 HG3 LYS 85 HG3 LYS 85 -8.661 -4.756 17.215 712 HD2 LYS 85 HD2 LYS 85 -9.093 -5.222 14.263 713 HD3 LYS 85 HD3 LYS 85 -7.955 -6.064 15.310 714 HE2 LYS 85 HE2 LYS 85 -10.969 -6.179 15.444 715 HE3 LYS 85 HE3 LYS 85 -9.887 -7.462 14.911 716 HZ1 LYS 85 HZ1 LYS 85 -8.912 -7.302 17.246 717 HZ2 LYS 85 HZ2 LYS 85 -10.439 -8.018 17.086 718 HZ3 LYS 85 HZ3 LYS 85 -10.310 -6.427 17.648 719 H SER 86 H SER 86 -11.966 -1.756 13.298 720 HA SER 86 HA SER 86 -14.400 -1.411 14.808 721 HB2 SER 86 HB2 SER 86 -13.854 -0.635 11.934 722 HB3 SER 86 HB3 SER 86 -15.075 0.036 13.014 723 HG SER 86 HG SER 86 -12.888 0.439 14.303 724 H ASN 87 H ASN 87 -16.211 -2.607 14.585 725 HA ASN 87 HA ASN 87 -15.915 -5.169 13.414 726 HB2 ASN 87 HB2 ASN 87 -18.053 -5.710 14.268 727 HB3 ASN 87 HB3 ASN 87 -17.273 -4.687 15.463 728 HD21 ASN 87 HD21 ASN 87 -17.800 -2.170 14.243 729 HD22 ASN 87 HD22 ASN 87 -19.509 -1.902 14.317 730 H LEU 88 H LEU 88 -16.546 -2.425 11.790 731 HA LEU 88 HA LEU 88 -18.811 -3.066 10.253 732 HB2 LEU 88 HB2 LEU 88 -16.468 -1.293 9.581 733 HB3 LEU 88 HB3 LEU 88 -17.936 -1.389 8.629 734 HG LEU 88 HG LEU 88 -18.249 0.518 9.901 735 HD11 LEU 88 HD11 LEU 88 -19.519 -1.689 11.512 736 HD12 LEU 88 HD12 LEU 88 -20.179 -0.953 10.049 737 HD13 LEU 88 HD13 LEU 88 -20.001 0.009 11.516 738 HD21 LEU 88 HD21 LEU 88 -17.766 0.720 12.277 739 HD22 LEU 88 HD22 LEU 88 -16.326 0.255 11.371 740 HD23 LEU 88 HD23 LEU 88 -17.203 -0.952 12.312 741 H LEU 89 H LEU 89 -15.405 -3.849 9.841 742 HA LEU 89 HA LEU 89 -16.132 -5.398 7.445 743 HB2 LEU 89 HB2 LEU 89 -14.310 -3.982 6.957 744 HB3 LEU 89 HB3 LEU 89 -13.481 -4.363 8.447 745 HG LEU 89 HG LEU 89 -13.298 -6.740 7.526 746 HD11 LEU 89 HD11 LEU 89 -14.961 -6.406 5.733 747 HD12 LEU 89 HD12 LEU 89 -13.417 -7.038 5.167 748 HD13 LEU 89 HD13 LEU 89 -13.813 -5.343 4.925 749 HD21 LEU 89 HD21 LEU 89 -11.286 -6.175 6.276 750 HD22 LEU 89 HD22 LEU 89 -11.423 -5.222 7.753 751 HD23 LEU 89 HD23 LEU 89 -11.813 -4.494 6.195 752 H LEU 90 H LEU 90 -15.265 -5.664 10.724 753 HA LEU 90 HA LEU 90 -14.149 -8.355 10.378 754 HB2 LEU 90 HB2 LEU 90 -13.926 -6.527 12.756 755 HB3 LEU 90 HB3 LEU 90 -12.973 -7.964 12.425 756 HG LEU 90 HG LEU 90 -12.910 -5.579 10.600 757 HD11 LEU 90 HD11 LEU 90 -12.359 -4.780 12.806 758 HD12 LEU 90 HD12 LEU 90 -10.910 -4.848 11.804 759 HD13 LEU 90 HD13 LEU 90 -11.199 -6.091 13.023 760 HD21 LEU 90 HD21 LEU 90 -10.953 -7.811 11.136 761 HD22 LEU 90 HD22 LEU 90 -10.737 -6.491 9.984 762 HD23 LEU 90 HD23 LEU 90 -12.017 -7.680 9.736 763 H TYR 91 H TYR 91 -17.135 -7.389 10.907 764 HA TYR 91 HA TYR 91 -17.736 -8.480 13.464 765 HB2 TYR 91 HB2 TYR 91 -20.078 -8.290 12.847 766 HB3 TYR 91 HB3 TYR 91 -19.213 -6.831 12.391 767 HD1 TYR 91 HD2 TYR 91 -20.586 -10.024 11.023 768 HD2 TYR 91 HD1 TYR 91 -19.289 -6.043 10.190 769 HE1 TYR 91 HE2 TYR 91 -21.464 -10.207 8.740 770 HE2 TYR 91 HE1 TYR 91 -20.164 -6.230 7.906 771 HH TYR 91 HH TYR 91 -22.300 -8.563 6.940 772 H SER 92 H SER 92 -19.115 -10.294 13.878 773 HA SER 92 HA SER 92 -18.229 -12.645 12.438 774 HB2 SER 92 HB2 SER 92 -20.083 -12.487 14.828 775 HB3 SER 92 HB3 SER 92 -19.157 -13.885 14.279 776 HG SER 92 HG SER 92 -17.326 -12.165 14.612 777 H CYS 93 H CYS 93 -19.662 -14.160 11.528 778 HA CYS 93 HA CYS 93 -22.387 -13.304 10.925 779 HB2 CYS 93 HB2 CYS 93 -22.025 -13.475 8.537 780 HB3 CYS 93 HB3 CYS 93 -20.918 -12.283 9.221 781 H ASN 94 H ASN 94 -23.171 -15.061 9.101 782 HA ASN 94 HA ASN 94 -22.787 -17.622 10.492 783 HB2 ASN 94 HB2 ASN 94 -25.077 -16.407 8.989 784 HB3 ASN 94 HB3 ASN 94 -24.991 -18.148 9.208 785 HD21 ASN 94 HD21 ASN 94 -25.345 -19.020 11.206 786 HD22 ASN 94 HD22 ASN 94 -25.966 -18.099 12.537 787 H CYS 95 H CYS 95 -20.837 -16.920 8.379 788 HA CYS 95 HA CYS 95 -21.619 -18.607 6.195 789 HB2 CYS 95 HB2 CYS 95 -18.954 -17.411 6.936 790 HB3 CYS 95 HB3 CYS 95 -19.206 -18.419 5.511 791 H LYS 96 H LYS 96 -20.813 -19.182 9.315 792 HA LYS 96 HA LYS 96 -20.083 -21.942 8.698 793 HB2 LYS 96 HB2 LYS 96 -18.608 -21.945 10.748 794 HB3 LYS 96 HB3 LYS 96 -17.995 -21.043 9.374 795 HG2 LYS 96 HG2 LYS 96 -18.810 -18.962 10.442 796 HG3 LYS 96 HG3 LYS 96 -19.262 -19.916 11.853 797 HD2 LYS 96 HD2 LYS 96 -16.479 -19.805 10.715 798 HD3 LYS 96 HD3 LYS 96 -17.042 -18.778 12.032 799 HE2 LYS 96 HE2 LYS 96 -17.526 -20.805 13.349 800 HE3 LYS 96 HE3 LYS 96 -16.894 -21.789 12.029 801 HZ1 LYS 96 HZ1 LYS 96 -15.322 -19.715 13.458 802 HZ2 LYS 96 HZ2 LYS 96 -14.746 -20.828 12.314 803 HZ3 LYS 96 HZ3 LYS 96 -15.278 -21.370 13.833 804 H PHE 97 H PHE 97 -21.011 -19.818 11.433 805 HA PHE 97 HA PHE 97 -23.372 -21.363 11.921 806 HB2 PHE 97 HB2 PHE 97 -22.825 -22.338 14.003 807 HB3 PHE 97 HB3 PHE 97 -21.428 -22.680 12.990 808 HD1 PHE 97 HD2 PHE 97 -19.408 -21.086 13.205 809 HD2 PHE 97 HD1 PHE 97 -22.582 -21.292 16.032 810 HE1 PHE 97 HE2 PHE 97 -17.980 -20.012 14.893 811 HE2 PHE 97 HE1 PHE 97 -21.175 -20.207 17.709 812 HZ PHE 97 HZ PHE 97 -18.855 -19.573 17.156 813 H SER 98 H SER 98 -23.933 -20.598 14.485 814 HA SER 98 HA SER 98 -24.636 -17.860 14.218 815 HB2 SER 98 HB2 SER 98 -24.773 -19.661 16.640 816 HB3 SER 98 HB3 SER 98 -25.640 -18.140 16.426 817 HG SER 98 HG SER 98 -26.543 -20.459 15.812 818 H LYS 99 H LYS 99 -24.414 -16.875 16.738 819 HA LYS 99 HA LYS 99 -21.552 -16.307 16.925 820 HB2 LYS 99 HB2 LYS 99 -22.088 -13.917 16.864 821 HB3 LYS 99 HB3 LYS 99 -22.589 -14.710 15.388 822 HG2 LYS 99 HG2 LYS 99 -24.840 -14.905 16.896 823 HG3 LYS 99 HG3 LYS 99 -24.181 -13.361 17.437 824 HD2 LYS 99 HD2 LYS 99 -25.679 -13.000 15.587 825 HD3 LYS 99 HD3 LYS 99 -24.029 -12.639 15.083 826 HE2 LYS 99 HE2 LYS 99 -23.872 -14.795 13.985 827 HE3 LYS 99 HE3 LYS 99 -25.487 -15.221 14.550 828 HZ1 LYS 99 HZ1 LYS 99 -24.798 -13.039 12.649 829 HZ2 LYS 99 HZ2 LYS 99 -26.354 -13.332 13.257 830 HZ3 LYS 99 HZ3 LYS 99 -25.593 -14.495 12.283 831 H LYS 100 H LYS 100 -21.186 -14.797 18.893 832 HA LYS 100 HA LYS 100 -23.072 -15.315 21.062 833 HB2 LYS 100 HB2 LYS 100 -21.542 -17.235 21.077 834 HB3 LYS 100 HB3 LYS 100 -20.163 -16.149 21.136 835 HG2 LYS 100 HG2 LYS 100 -20.311 -16.704 23.329 836 HG3 LYS 100 HG3 LYS 100 -21.359 -15.288 23.315 837 HD2 LYS 100 HD2 LYS 100 -22.287 -18.157 23.123 838 HD3 LYS 100 HD3 LYS 100 -22.326 -17.166 24.580 839 HE2 LYS 100 HE2 LYS 100 -23.821 -15.576 23.387 840 HE3 LYS 100 HE3 LYS 100 -23.852 -16.694 22.024 841 HZ1 LYS 100 HZ1 LYS 100 -25.774 -17.112 23.294 842 HZ2 LYS 100 HZ2 LYS 100 -24.920 -17.131 24.754 843 HZ3 LYS 100 HZ3 LYS 100 -24.715 -18.395 23.639 844 H LYS 101 H LYS 101 -23.281 -13.563 22.302 845 HA LYS 101 HA LYS 101 -21.248 -11.466 22.121 846 HB2 LYS 101 HB2 LYS 101 -24.073 -11.448 23.196 847 HB3 LYS 101 HB3 LYS 101 -22.972 -10.089 23.361 848 HG2 LYS 101 HG2 LYS 101 -24.262 -9.542 21.510 849 HG3 LYS 101 HG3 LYS 101 -22.777 -10.182 20.808 850 HD2 LYS 101 HD2 LYS 101 -23.930 -12.397 20.606 851 HD3 LYS 101 HD3 LYS 101 -25.420 -11.595 21.108 852 HE2 LYS 101 HE2 LYS 101 -23.767 -10.946 18.671 853 HE3 LYS 101 HE3 LYS 101 -25.325 -11.772 18.688 854 HZ1 LYS 101 HZ1 LYS 101 -25.607 -9.467 18.103 855 HZ2 LYS 101 HZ2 LYS 101 -24.818 -8.963 19.517 856 HZ3 LYS 101 HZ3 LYS 101 -26.317 -9.746 19.622 Start of MODEL 2 1 H MET 1 H MET 1 2.474 -2.440 1.418 2 HA MET 1 HA MET 1 0.170 -2.708 2.089 3 HB2 MET 1 HB2 MET 1 0.627 0.010 3.334 4 HB3 MET 1 HB3 MET 1 -0.966 -0.664 3.027 5 HG2 MET 1 HG2 MET 1 -0.472 -1.026 5.309 6 HG3 MET 1 HG3 MET 1 -0.338 -2.586 4.501 7 HE1 MET 1 HE1 MET 1 2.379 -2.820 7.312 8 HE2 MET 1 HE2 MET 1 0.958 -3.578 6.595 9 HE3 MET 1 HE3 MET 1 0.807 -2.023 7.413 10 H LYS 2 H LYS 2 0.007 -2.823 -0.069 11 HA LYS 2 HA LYS 2 -0.776 -0.347 -1.414 12 HB2 LYS 2 HB2 LYS 2 1.641 -0.831 -1.995 13 HB3 LYS 2 HB3 LYS 2 1.099 -2.341 -2.714 14 HG2 LYS 2 HG2 LYS 2 -0.411 -0.939 -4.187 15 HG3 LYS 2 HG3 LYS 2 0.491 0.461 -3.609 16 HD2 LYS 2 HD2 LYS 2 1.644 -1.928 -5.046 17 HD3 LYS 2 HD3 LYS 2 1.369 -0.332 -5.742 18 HE2 LYS 2 HE2 LYS 2 3.247 -0.978 -3.472 19 HE3 LYS 2 HE3 LYS 2 3.714 -0.660 -5.141 20 HZ1 LYS 2 HZ1 LYS 2 4.047 1.347 -4.047 21 HZ2 LYS 2 HZ2 LYS 2 2.621 1.222 -3.142 22 HZ3 LYS 2 HZ3 LYS 2 2.545 1.567 -4.803 23 H GLY 3 H GLY 3 -0.125 -3.604 -2.639 24 HA2 GLY 3 HA2 GLY 3 -3.013 -3.883 -3.203 25 HA3 GLY 3 HA3 GLY 3 -1.733 -4.643 -4.142 26 H ASP 4 H ASP 4 -2.277 -4.426 -0.651 27 HA ASP 4 HA ASP 4 -2.427 -7.348 -0.550 28 HB2 ASP 4 HB2 ASP 4 -0.853 -7.365 1.354 29 HB3 ASP 4 HB3 ASP 4 -0.111 -6.819 -0.145 30 H ILE 5 H ILE 5 -4.009 -4.624 0.204 31 HA ILE 5 HA ILE 5 -4.745 -5.084 2.918 32 HB ILE 5 HB ILE 5 -5.166 -2.905 1.722 33 HG12 ILE 5 HG12 ILE 5 -7.250 -2.438 2.833 34 HG13 ILE 5 HG13 ILE 5 -7.701 -4.138 2.815 35 HG21 ILE 5 HG21 ILE 5 -7.465 -4.433 0.502 36 HG22 ILE 5 HG22 ILE 5 -6.001 -3.940 -0.364 37 HG23 ILE 5 HG23 ILE 5 -7.100 -2.715 0.279 38 HD11 ILE 5 HD11 ILE 5 -5.410 -2.977 4.373 39 HD12 ILE 5 HD12 ILE 5 -5.975 -4.651 4.407 40 HD13 ILE 5 HD13 ILE 5 -7.008 -3.358 5.016 41 H GLU 6 H GLU 6 -5.740 -6.296 -0.158 42 HA GLU 6 HA GLU 6 -8.221 -7.414 0.575 43 HB2 GLU 6 HB2 GLU 6 -6.277 -8.309 -1.572 44 HB3 GLU 6 HB3 GLU 6 -7.956 -8.806 -1.453 45 HG2 GLU 6 HG2 GLU 6 -7.908 -7.165 -3.120 46 HG3 GLU 6 HG3 GLU 6 -8.557 -6.360 -1.696 47 H HIS 7 H HIS 7 -4.918 -8.604 0.545 48 HA HIS 7 HA HIS 7 -5.385 -11.217 1.426 49 HB2 HIS 7 HB2 HIS 7 -3.204 -10.129 0.581 50 HB3 HIS 7 HB3 HIS 7 -2.990 -9.586 2.242 51 HD1 HIS 7 HD1 HIS 7 -1.466 -11.109 3.495 52 HD2 HIS 7 HD2 HIS 7 -3.737 -13.134 0.658 53 HE1 HIS 7 HE1 HIS 7 -0.753 -13.533 3.606 54 H LYS 8 H LYS 8 -4.948 -8.186 3.190 55 HA LYS 8 HA LYS 8 -4.928 -9.263 5.794 56 HB2 LYS 8 HB2 LYS 8 -6.113 -6.577 5.107 57 HB3 LYS 8 HB3 LYS 8 -5.325 -7.064 6.599 58 HG2 LYS 8 HG2 LYS 8 -4.044 -6.536 3.935 59 HG3 LYS 8 HG3 LYS 8 -3.867 -5.612 5.426 60 HD2 LYS 8 HD2 LYS 8 -2.774 -7.524 6.481 61 HD3 LYS 8 HD3 LYS 8 -2.950 -8.447 4.983 62 HE2 LYS 8 HE2 LYS 8 -1.654 -6.676 3.818 63 HE3 LYS 8 HE3 LYS 8 -1.367 -5.922 5.389 64 HZ1 LYS 8 HZ1 LYS 8 -0.518 -8.660 4.602 65 HZ2 LYS 8 HZ2 LYS 8 -0.248 -7.941 6.116 66 HZ3 LYS 8 HZ3 LYS 8 0.488 -7.305 4.729 67 H VAL 9 H VAL 9 -7.565 -7.896 3.823 68 HA VAL 9 HA VAL 9 -9.645 -8.297 5.615 69 HB VAL 9 HB VAL 9 -9.850 -8.678 2.623 70 HG11 VAL 9 HG11 VAL 9 -11.826 -9.389 3.847 71 HG12 VAL 9 HG12 VAL 9 -12.158 -7.910 2.946 72 HG13 VAL 9 HG13 VAL 9 -11.882 -7.841 4.686 73 HG21 VAL 9 HG21 VAL 9 -10.282 -6.327 2.449 74 HG22 VAL 9 HG22 VAL 9 -8.719 -6.567 3.232 75 HG23 VAL 9 HG23 VAL 9 -10.132 -6.127 4.194 76 H TYR 10 H TYR 10 -8.264 -10.534 3.240 77 HA TYR 10 HA TYR 10 -10.056 -12.661 3.669 78 HB2 TYR 10 HB2 TYR 10 -7.141 -12.849 2.876 79 HB3 TYR 10 HB3 TYR 10 -8.349 -14.102 2.666 80 HD1 TYR 10 HD2 TYR 10 -10.343 -11.582 1.798 81 HD2 TYR 10 HD1 TYR 10 -6.691 -13.294 0.443 82 HE1 TYR 10 HE2 TYR 10 -10.799 -10.754 -0.473 83 HE2 TYR 10 HE1 TYR 10 -7.134 -12.460 -1.821 84 HH TYR 10 HH TYR 10 -9.550 -10.185 -2.516 85 H GLN 11 H GLN 11 -6.892 -11.920 5.075 86 HA GLN 11 HA GLN 11 -6.332 -14.212 6.430 87 HB2 GLN 11 HB2 GLN 11 -5.692 -11.353 7.031 88 HB3 GLN 11 HB3 GLN 11 -5.131 -12.637 8.096 89 HG2 GLN 11 HG2 GLN 11 -4.536 -12.417 5.155 90 HG3 GLN 11 HG3 GLN 11 -3.443 -11.959 6.459 91 HE21 GLN 11 HE21 GLN 11 -4.206 -14.209 8.151 92 HE22 GLN 11 HE22 GLN 11 -3.458 -15.606 7.448 93 H LEU 12 H LEU 12 -8.321 -11.558 7.653 94 HA LEU 12 HA LEU 12 -8.718 -13.051 10.123 95 HB2 LEU 12 HB2 LEU 12 -10.199 -10.816 10.478 96 HB3 LEU 12 HB3 LEU 12 -8.519 -10.985 10.920 97 HG LEU 12 HG LEU 12 -8.064 -10.067 8.517 98 HD11 LEU 12 HD11 LEU 12 -10.362 -10.151 7.739 99 HD12 LEU 12 HD12 LEU 12 -9.768 -8.488 7.764 100 HD13 LEU 12 HD13 LEU 12 -10.853 -9.057 9.033 101 HD21 LEU 12 HD21 LEU 12 -9.086 -8.316 10.746 102 HD22 LEU 12 HD22 LEU 12 -8.076 -7.790 9.399 103 HD23 LEU 12 HD23 LEU 12 -7.445 -8.939 10.579 104 H LEU 13 H LEU 13 -10.613 -11.845 7.399 105 HA LEU 13 HA LEU 13 -13.119 -12.527 8.490 106 HB2 LEU 13 HB2 LEU 13 -12.232 -12.134 5.652 107 HB3 LEU 13 HB3 LEU 13 -13.893 -12.491 6.086 108 HG LEU 13 HG LEU 13 -12.294 -10.045 6.780 109 HD11 LEU 13 HD11 LEU 13 -13.400 -10.192 4.574 110 HD12 LEU 13 HD12 LEU 13 -14.026 -8.895 5.591 111 HD13 LEU 13 HD13 LEU 13 -14.945 -10.389 5.400 112 HD21 LEU 13 HD21 LEU 13 -14.252 -9.321 8.075 113 HD22 LEU 13 HD22 LEU 13 -13.469 -10.738 8.775 114 HD23 LEU 13 HD23 LEU 13 -14.966 -10.921 7.860 115 H LYS 14 H LYS 14 -11.005 -14.341 6.279 116 HA LYS 14 HA LYS 14 -12.753 -16.539 5.987 117 HB2 LYS 14 HB2 LYS 14 -10.878 -17.767 5.109 118 HB3 LYS 14 HB3 LYS 14 -10.773 -16.111 4.532 119 HG2 LYS 14 HG2 LYS 14 -8.585 -16.562 5.091 120 HG3 LYS 14 HG3 LYS 14 -9.175 -15.776 6.552 121 HD2 LYS 14 HD2 LYS 14 -9.571 -18.029 7.537 122 HD3 LYS 14 HD3 LYS 14 -8.809 -18.736 6.109 123 HE2 LYS 14 HE2 LYS 14 -6.728 -17.675 6.604 124 HE3 LYS 14 HE3 LYS 14 -7.461 -16.702 7.877 125 HZ1 LYS 14 HZ1 LYS 14 -7.245 -19.665 7.952 126 HZ2 LYS 14 HZ2 LYS 14 -7.778 -18.655 9.208 127 HZ3 LYS 14 HZ3 LYS 14 -6.160 -18.603 8.709 128 H ASP 15 H ASP 15 -10.656 -15.537 8.515 129 HA ASP 15 HA ASP 15 -10.462 -18.133 9.742 130 HB2 ASP 15 HB2 ASP 15 -8.779 -16.091 9.777 131 HB3 ASP 15 HB3 ASP 15 -9.731 -15.623 11.183 132 H GLN 16 H GLN 16 -12.449 -15.318 9.937 133 HA GLN 16 HA GLN 16 -13.782 -16.105 12.378 134 HB2 GLN 16 HB2 GLN 16 -14.831 -14.177 10.302 135 HB3 GLN 16 HB3 GLN 16 -15.257 -14.260 12.002 136 HG2 GLN 16 HG2 GLN 16 -12.607 -13.792 12.148 137 HG3 GLN 16 HG3 GLN 16 -13.015 -12.966 10.651 138 HE21 GLN 16 HE21 GLN 16 -12.767 -10.950 11.379 139 HE22 GLN 16 HE22 GLN 16 -13.771 -10.207 12.574 140 H GLY 17 H GLY 17 -13.729 -17.201 9.267 141 HA2 GLY 17 HA2 GLY 17 -14.951 -19.029 8.465 142 HA3 GLY 17 HA3 GLY 17 -16.186 -18.703 9.672 143 H CYS 18 H CYS 18 -14.865 -16.226 7.575 144 HA CYS 18 HA CYS 18 -17.454 -16.204 6.161 145 HB2 CYS 18 HB2 CYS 18 -16.607 -14.119 7.480 146 HB3 CYS 18 HB3 CYS 18 -15.515 -13.900 6.116 147 H GLU 19 H GLU 19 -17.491 -16.513 3.996 148 HA GLU 19 HA GLU 19 -14.942 -16.141 2.534 149 HB2 GLU 19 HB2 GLU 19 -15.522 -17.879 1.014 150 HB3 GLU 19 HB3 GLU 19 -15.784 -18.526 2.626 151 HG2 GLU 19 HG2 GLU 19 -17.965 -17.419 0.874 152 HG3 GLU 19 HG3 GLU 19 -17.537 -19.124 0.970 153 H ASP 20 H ASP 20 -17.992 -15.031 3.085 154 HA ASP 20 HA ASP 20 -18.671 -14.213 0.417 155 HB2 ASP 20 HB2 ASP 20 -20.355 -14.957 2.167 156 HB3 ASP 20 HB3 ASP 20 -20.053 -13.428 2.986 157 H PHE 21 H PHE 21 -16.772 -12.947 0.091 158 HA PHE 21 HA PHE 21 -17.317 -10.176 0.367 159 HB2 PHE 21 HB2 PHE 21 -15.121 -9.627 1.544 160 HB3 PHE 21 HB3 PHE 21 -16.410 -10.265 2.555 161 HD1 PHE 21 HD1 PHE 21 -13.134 -10.992 1.044 162 HD2 PHE 21 HD2 PHE 21 -16.234 -12.401 3.591 163 HE1 PHE 21 HE1 PHE 21 -11.644 -12.752 1.889 164 HE2 PHE 21 HE2 PHE 21 -14.757 -14.156 4.429 165 HZ PHE 21 HZ PHE 21 -12.447 -14.333 3.593 166 H GLY 22 H GLY 22 -15.809 -8.845 -0.831 167 HA2 GLY 22 HA2 GLY 22 -13.502 -9.710 -2.108 168 HA3 GLY 22 HA3 GLY 22 -14.834 -10.149 -3.168 169 H THR 23 H THR 23 -12.929 -8.378 -4.049 170 HA THR 23 HA THR 23 -13.990 -5.691 -3.636 171 HB THR 23 HB THR 23 -12.092 -5.006 -5.157 172 HG1 THR 23 HG1 THR 23 -10.845 -7.471 -4.698 173 HG21 THR 23 HG21 THR 23 -10.350 -5.344 -3.458 174 HG22 THR 23 HG22 THR 23 -11.373 -6.538 -2.660 175 HG23 THR 23 HG23 THR 23 -11.885 -4.853 -2.738 176 H LYS 24 H LYS 24 -14.740 -4.365 -5.347 177 HA LYS 24 HA LYS 24 -15.083 -5.690 -7.939 178 HB2 LYS 24 HB2 LYS 24 -17.332 -4.873 -8.212 179 HB3 LYS 24 HB3 LYS 24 -17.244 -5.798 -6.726 180 HG2 LYS 24 HG2 LYS 24 -18.493 -4.033 -6.019 181 HG3 LYS 24 HG3 LYS 24 -16.881 -3.420 -5.655 182 HD2 LYS 24 HD2 LYS 24 -16.871 -2.030 -7.567 183 HD3 LYS 24 HD3 LYS 24 -18.277 -2.843 -8.260 184 HE2 LYS 24 HE2 LYS 24 -19.723 -1.914 -6.618 185 HE3 LYS 24 HE3 LYS 24 -18.366 -1.325 -5.663 186 HZ1 LYS 24 HZ1 LYS 24 -19.152 -0.344 -8.351 187 HZ2 LYS 24 HZ2 LYS 24 -17.825 0.210 -7.462 188 HZ3 LYS 24 HZ3 LYS 24 -19.398 0.467 -6.891 189 H CYS 25 H CYS 25 -14.897 -4.392 -9.719 190 HA CYS 25 HA CYS 25 -14.395 -1.538 -9.244 191 HB2 CYS 25 HB2 CYS 25 -12.217 -2.690 -9.438 192 HB3 CYS 25 HB3 CYS 25 -12.707 -3.335 -11.001 193 HG CYS 25 HG CYS 25 -11.556 -0.290 -10.210 194 H VAL 26 H VAL 26 -16.324 -0.914 -10.103 195 HA VAL 26 HA VAL 26 -16.692 -1.512 -12.960 196 HB VAL 26 HB VAL 26 -18.470 -2.593 -11.662 197 HG11 VAL 26 HG11 VAL 26 -20.104 -1.267 -10.408 198 HG12 VAL 26 HG12 VAL 26 -19.121 0.173 -10.666 199 HG13 VAL 26 HG13 VAL 26 -18.491 -1.164 -9.704 200 HG21 VAL 26 HG21 VAL 26 -19.014 -1.763 -13.879 201 HG22 VAL 26 HG22 VAL 26 -19.453 -0.195 -13.199 202 HG23 VAL 26 HG23 VAL 26 -20.405 -1.626 -12.803 203 H ILE 27 H ILE 27 -16.977 0.215 -14.291 204 HA ILE 27 HA ILE 27 -16.224 2.763 -13.289 205 HB ILE 27 HB ILE 27 -17.259 1.920 -15.992 206 HG12 ILE 27 HG12 ILE 27 -14.516 2.748 -15.014 207 HG13 ILE 27 HG13 ILE 27 -15.026 1.096 -15.357 208 HG21 ILE 27 HG21 ILE 27 -16.651 4.127 -16.813 209 HG22 ILE 27 HG22 ILE 27 -16.181 4.622 -15.187 210 HG23 ILE 27 HG23 ILE 27 -17.871 4.259 -15.543 211 HD11 ILE 27 HD11 ILE 27 -14.805 3.339 -17.349 212 HD12 ILE 27 HD12 ILE 27 -15.345 1.700 -17.708 213 HD13 ILE 27 HD13 ILE 27 -13.690 1.984 -17.168 214 H GLU 28 H GLU 28 -17.380 4.346 -12.527 215 HA GLU 28 HA GLU 28 -20.283 4.328 -12.977 216 HB2 GLU 28 HB2 GLU 28 -18.704 5.449 -10.653 217 HB3 GLU 28 HB3 GLU 28 -20.448 5.599 -10.855 218 HG2 GLU 28 HG2 GLU 28 -20.593 3.124 -10.850 219 HG3 GLU 28 HG3 GLU 28 -18.874 3.066 -10.474 220 H GLU 29 H GLU 29 -20.490 5.582 -14.711 221 HA GLU 29 HA GLU 29 -18.717 7.817 -15.143 222 HB2 GLU 29 HB2 GLU 29 -19.962 8.079 -17.279 223 HB3 GLU 29 HB3 GLU 29 -19.252 6.489 -17.062 224 HG2 GLU 29 HG2 GLU 29 -22.129 7.042 -16.415 225 HG3 GLU 29 HG3 GLU 29 -21.592 6.620 -18.040 226 H VAL 30 H VAL 30 -19.336 9.963 -15.384 227 HA VAL 30 HA VAL 30 -21.847 10.672 -14.022 228 HB VAL 30 HB VAL 30 -19.221 12.187 -14.091 229 HG11 VAL 30 HG11 VAL 30 -21.115 13.724 -14.100 230 HG12 VAL 30 HG12 VAL 30 -20.280 13.762 -12.547 231 HG13 VAL 30 HG13 VAL 30 -21.807 12.896 -12.706 232 HG21 VAL 30 HG21 VAL 30 -20.640 10.812 -11.812 233 HG22 VAL 30 HG22 VAL 30 -19.147 11.744 -11.690 234 HG23 VAL 30 HG23 VAL 30 -19.177 10.245 -12.618 235 H LYS 31 H LYS 31 -23.180 12.151 -14.990 236 HA LYS 31 HA LYS 31 -22.808 12.619 -17.793 237 HB2 LYS 31 HB2 LYS 31 -24.989 13.854 -17.623 238 HB3 LYS 31 HB3 LYS 31 -25.045 12.188 -17.078 239 HG2 LYS 31 HG2 LYS 31 -24.619 14.378 -15.093 240 HG3 LYS 31 HG3 LYS 31 -26.236 14.053 -15.716 241 HD2 LYS 31 HD2 LYS 31 -24.469 11.949 -14.479 242 HD3 LYS 31 HD3 LYS 31 -25.655 12.883 -13.567 243 HE2 LYS 31 HE2 LYS 31 -26.308 11.192 -15.978 244 HE3 LYS 31 HE3 LYS 31 -26.463 10.642 -14.311 245 HZ1 LYS 31 HZ1 LYS 31 -28.083 12.342 -13.895 246 HZ2 LYS 31 HZ2 LYS 31 -28.564 11.455 -15.258 247 HZ3 LYS 31 HZ3 LYS 31 -27.880 12.995 -15.448 248 H SER 32 H SER 32 -20.697 13.765 -17.171 249 HA SER 32 HA SER 32 -21.070 16.540 -16.388 250 HB2 SER 32 HB2 SER 32 -18.554 16.575 -16.492 251 HB3 SER 32 HB3 SER 32 -19.225 15.399 -15.361 252 HG SER 32 HG SER 32 -17.469 14.811 -17.036 253 H SER 33 H SER 33 -19.499 14.808 -19.064 254 HA SER 33 HA SER 33 -19.229 17.227 -20.596 255 HB2 SER 33 HB2 SER 33 -18.645 14.403 -21.494 256 HB3 SER 33 HB3 SER 33 -17.931 15.900 -22.095 257 HG SER 33 HG SER 33 -16.461 15.661 -20.618 258 H HIS 34 H HIS 34 -21.964 16.539 -20.099 259 HA HIS 34 HA HIS 34 -22.996 15.410 -22.552 260 HB2 HIS 34 HB2 HIS 34 -24.157 15.026 -20.396 261 HB3 HIS 34 HB3 HIS 34 -24.499 16.748 -20.289 262 HD1 HIS 34 HD1 HIS 34 -25.234 13.879 -22.735 263 HD2 HIS 34 HD2 HIS 34 -26.891 17.417 -21.292 264 HE1 HIS 34 HE1 HIS 34 -27.522 14.080 -23.785 265 H LYS 35 H LYS 35 -21.587 17.151 -23.563 266 HA LYS 35 HA LYS 35 -23.303 19.455 -24.249 267 HB2 LYS 35 HB2 LYS 35 -20.284 19.351 -24.490 268 HB3 LYS 35 HB3 LYS 35 -21.319 20.762 -24.652 269 HG2 LYS 35 HG2 LYS 35 -20.915 19.225 -22.091 270 HG3 LYS 35 HG3 LYS 35 -20.050 20.695 -22.533 271 HD2 LYS 35 HD2 LYS 35 -22.965 20.917 -22.729 272 HD3 LYS 35 HD3 LYS 35 -22.376 20.601 -21.097 273 HE2 LYS 35 HE2 LYS 35 -22.572 23.004 -21.542 274 HE3 LYS 35 HE3 LYS 35 -20.903 22.533 -21.231 275 HZ1 LYS 35 HZ1 LYS 35 -22.074 22.942 -23.930 276 HZ2 LYS 35 HZ2 LYS 35 -20.453 22.591 -23.576 277 HZ3 LYS 35 HZ3 LYS 35 -21.118 24.074 -23.102 278 H THR 36 H THR 36 -23.192 16.718 -25.172 279 HA THR 36 HA THR 36 -21.597 16.583 -27.561 280 HB THR 36 HB THR 36 -22.820 14.253 -27.569 281 HG1 THR 36 HG1 THR 36 -23.520 13.685 -25.472 282 HG21 THR 36 HG21 THR 36 -21.134 13.407 -25.959 283 HG22 THR 36 HG22 THR 36 -20.772 15.074 -25.507 284 HG23 THR 36 HG23 THR 36 -20.450 14.516 -27.149 285 H LEU 37 H LEU 37 -22.337 16.189 -29.629 286 HA LEU 37 HA LEU 37 -25.156 16.849 -30.134 287 HB2 LEU 37 HB2 LEU 37 -22.741 17.063 -31.917 288 HB3 LEU 37 HB3 LEU 37 -24.383 17.328 -32.467 289 HG LEU 37 HG LEU 37 -22.940 18.966 -30.383 290 HD11 LEU 37 HD11 LEU 37 -23.716 19.595 -33.228 291 HD12 LEU 37 HD12 LEU 37 -22.078 19.351 -32.619 292 HD13 LEU 37 HD13 LEU 37 -23.025 20.736 -32.076 293 HD21 LEU 37 HD21 LEU 37 -24.895 20.450 -30.542 294 HD22 LEU 37 HD22 LEU 37 -25.315 18.856 -29.915 295 HD23 LEU 37 HD23 LEU 37 -25.690 19.274 -31.587 296 H LEU 38 H LEU 38 -23.027 14.310 -30.049 297 HA LEU 38 HA LEU 38 -24.304 12.820 -32.189 298 HB2 LEU 38 HB2 LEU 38 -22.654 11.162 -31.959 299 HB3 LEU 38 HB3 LEU 38 -21.818 12.687 -31.784 300 HG LEU 38 HG LEU 38 -22.598 10.980 -29.412 301 HD11 LEU 38 HD11 LEU 38 -21.142 9.697 -30.882 302 HD12 LEU 38 HD12 LEU 38 -20.298 10.183 -29.412 303 HD13 LEU 38 HD13 LEU 38 -19.995 11.035 -30.927 304 HD21 LEU 38 HD21 LEU 38 -20.576 13.185 -29.743 305 HD22 LEU 38 HD22 LEU 38 -20.905 12.269 -28.270 306 HD23 LEU 38 HD23 LEU 38 -22.138 13.323 -28.940 307 H ASN 39 H ASN 39 -24.321 10.281 -31.223 308 HA ASN 39 HA ASN 39 -26.812 9.964 -30.124 309 HB2 ASN 39 HB2 ASN 39 -25.557 8.177 -31.212 310 HB3 ASN 39 HB3 ASN 39 -24.399 8.162 -29.880 311 HD21 ASN 39 HD21 ASN 39 -24.751 6.066 -29.289 312 HD22 ASN 39 HD22 ASN 39 -26.233 5.501 -28.598 313 H THR 40 H THR 40 -24.074 8.823 -28.232 314 HA THR 40 HA THR 40 -25.259 10.012 -25.827 315 HB THR 40 HB THR 40 -23.348 8.364 -24.868 316 HG1 THR 40 HG1 THR 40 -22.937 6.720 -26.205 317 HG21 THR 40 HG21 THR 40 -25.125 6.719 -24.487 318 HG22 THR 40 HG22 THR 40 -26.120 7.507 -25.711 319 HG23 THR 40 HG23 THR 40 -25.712 8.361 -24.222 320 H GLU 41 H GLU 41 -23.059 10.008 -24.193 321 HA GLU 41 HA GLU 41 -21.465 12.136 -25.299 322 HB2 GLU 41 HB2 GLU 41 -21.293 10.683 -22.642 323 HB3 GLU 41 HB3 GLU 41 -20.284 12.048 -23.090 324 HG2 GLU 41 HG2 GLU 41 -22.055 12.792 -21.660 325 HG3 GLU 41 HG3 GLU 41 -22.298 13.447 -23.277 326 H LEU 42 H LEU 42 -20.183 11.433 -26.878 327 HA LEU 42 HA LEU 42 -18.840 9.199 -27.418 328 HB2 LEU 42 HB2 LEU 42 -18.694 11.537 -28.503 329 HB3 LEU 42 HB3 LEU 42 -17.344 11.811 -27.423 330 HG LEU 42 HG LEU 42 -17.411 9.519 -29.384 331 HD11 LEU 42 HD11 LEU 42 -16.033 10.900 -30.850 332 HD12 LEU 42 HD12 LEU 42 -16.231 12.268 -29.754 333 HD13 LEU 42 HD13 LEU 42 -17.627 11.615 -30.610 334 HD21 LEU 42 HD21 LEU 42 -15.809 9.307 -27.544 335 HD22 LEU 42 HD22 LEU 42 -15.139 10.888 -27.943 336 HD23 LEU 42 HD23 LEU 42 -14.989 9.553 -29.085 337 H HIS 43 H HIS 43 -17.494 11.677 -25.237 338 HA HIS 43 HA HIS 43 -16.656 9.598 -23.425 339 HB2 HIS 43 HB2 HIS 43 -14.336 10.684 -23.215 340 HB3 HIS 43 HB3 HIS 43 -14.620 9.603 -24.567 341 HD1 HIS 43 HD1 HIS 43 -12.701 10.699 -25.923 342 HD2 HIS 43 HD2 HIS 43 -15.767 13.315 -24.900 343 HE1 HIS 43 HE1 HIS 43 -12.342 12.788 -27.297 344 H LEU 44 H LEU 44 -16.956 10.199 -21.399 345 HA LEU 44 HA LEU 44 -17.054 13.064 -20.790 346 HB2 LEU 44 HB2 LEU 44 -18.853 12.452 -19.092 347 HB3 LEU 44 HB3 LEU 44 -19.315 12.528 -20.779 348 HG LEU 44 HG LEU 44 -19.135 10.022 -20.866 349 HD11 LEU 44 HD11 LEU 44 -18.946 10.285 -17.869 350 HD12 LEU 44 HD12 LEU 44 -17.668 9.699 -18.935 351 HD13 LEU 44 HD13 LEU 44 -19.169 8.786 -18.772 352 HD21 LEU 44 HD21 LEU 44 -21.264 9.667 -19.713 353 HD22 LEU 44 HD22 LEU 44 -21.262 11.161 -20.652 354 HD23 LEU 44 HD23 LEU 44 -21.072 11.220 -18.900 355 H THR 45 H THR 45 -17.204 13.210 -18.204 356 HA THR 45 HA THR 45 -14.764 12.044 -17.248 357 HB THR 45 HB THR 45 -16.803 13.498 -15.584 358 HG1 THR 45 HG1 THR 45 -14.853 14.524 -17.386 359 HG21 THR 45 HG21 THR 45 -13.803 13.235 -15.388 360 HG22 THR 45 HG22 THR 45 -14.992 12.466 -14.337 361 HG23 THR 45 HG23 THR 45 -14.807 14.220 -14.323 362 H LYS 46 H LYS 46 -14.869 9.925 -16.960 363 HA LYS 46 HA LYS 46 -17.122 8.803 -15.473 364 HB2 LYS 46 HB2 LYS 46 -16.929 6.907 -16.691 365 HB3 LYS 46 HB3 LYS 46 -16.076 7.957 -17.812 366 HG2 LYS 46 HG2 LYS 46 -14.733 6.291 -15.703 367 HG3 LYS 46 HG3 LYS 46 -14.956 5.792 -17.378 368 HD2 LYS 46 HD2 LYS 46 -13.501 7.433 -18.178 369 HD3 LYS 46 HD3 LYS 46 -13.583 8.361 -16.677 370 HE2 LYS 46 HE2 LYS 46 -12.422 6.564 -15.506 371 HE3 LYS 46 HE3 LYS 46 -12.325 5.645 -17.008 372 HZ1 LYS 46 HZ1 LYS 46 -11.085 7.611 -17.937 373 HZ2 LYS 46 HZ2 LYS 46 -10.262 6.709 -16.762 374 HZ3 LYS 46 HZ3 LYS 46 -10.965 8.198 -16.349 375 H TYR 47 H TYR 47 -16.655 7.230 -13.795 376 HA TYR 47 HA TYR 47 -14.038 7.706 -12.547 377 HB2 TYR 47 HB2 TYR 47 -16.767 7.690 -11.261 378 HB3 TYR 47 HB3 TYR 47 -15.279 7.515 -10.343 379 HD1 TYR 47 HD2 TYR 47 -17.020 9.840 -12.693 380 HD2 TYR 47 HD1 TYR 47 -14.141 9.391 -9.589 381 HE1 TYR 47 HE2 TYR 47 -16.803 12.281 -12.545 382 HE2 TYR 47 HE1 TYR 47 -13.928 11.833 -9.429 383 HH TYR 47 HH TYR 47 -16.117 13.965 -10.905 384 H TYR 48 H TYR 48 -13.149 6.021 -11.399 385 HA TYR 48 HA TYR 48 -14.171 3.377 -11.996 386 HB2 TYR 48 HB2 TYR 48 -11.638 4.494 -10.896 387 HB3 TYR 48 HB3 TYR 48 -12.065 2.846 -10.445 388 HD1 TYR 48 HD2 TYR 48 -12.824 4.420 -13.716 389 HD2 TYR 48 HD1 TYR 48 -10.347 1.702 -11.581 390 HE1 TYR 48 HE2 TYR 48 -11.916 3.581 -15.844 391 HE2 TYR 48 HE1 TYR 48 -9.440 0.850 -13.700 392 HH TYR 48 HH TYR 48 -9.926 0.735 -16.004 393 H GLY 49 H GLY 49 -15.773 2.668 -10.784 394 HA2 GLY 49 HA2 GLY 49 -16.145 3.598 -8.073 395 HA3 GLY 49 HA3 GLY 49 -17.190 2.495 -8.959 396 H PHE 50 H PHE 50 -14.025 2.689 -7.386 397 HA PHE 50 HA PHE 50 -13.785 -0.149 -7.065 398 HB2 PHE 50 HB2 PHE 50 -12.212 2.232 -6.356 399 HB3 PHE 50 HB3 PHE 50 -12.096 0.915 -5.194 400 HD1 PHE 50 HD2 PHE 50 -11.364 -1.339 -5.987 401 HD2 PHE 50 HD1 PHE 50 -11.066 2.150 -8.402 402 HE1 PHE 50 HE2 PHE 50 -9.701 -2.467 -7.400 403 HE2 PHE 50 HE1 PHE 50 -9.409 1.032 -9.815 404 HZ PHE 50 HZ PHE 50 -8.712 -1.273 -9.312 405 H SER 51 H SER 51 -14.439 -1.396 -5.409 406 HA SER 51 HA SER 51 -15.180 -0.212 -2.873 407 HB2 SER 51 HB2 SER 51 -17.272 -1.837 -4.312 408 HB3 SER 51 HB3 SER 51 -17.455 -0.834 -2.874 409 HG SER 51 HG SER 51 -16.629 0.837 -4.616 410 H PHE 52 H PHE 52 -15.326 -1.732 -1.205 411 HA PHE 52 HA PHE 52 -14.660 -4.483 -1.976 412 HB2 PHE 52 HB2 PHE 52 -13.126 -3.288 -0.323 413 HB3 PHE 52 HB3 PHE 52 -14.470 -3.353 0.819 414 HD1 PHE 52 HD2 PHE 52 -15.372 -5.552 1.536 415 HD2 PHE 52 HD1 PHE 52 -11.814 -5.197 -0.778 416 HE1 PHE 52 HE2 PHE 52 -14.785 -7.868 2.092 417 HE2 PHE 52 HE1 PHE 52 -11.229 -7.523 -0.233 418 HZ PHE 52 HZ PHE 52 -12.719 -8.858 1.198 419 H PHE 53 H PHE 53 -16.222 -5.895 -1.923 420 HA PHE 53 HA PHE 53 -18.766 -5.167 -0.707 421 HB2 PHE 53 HB2 PHE 53 -17.921 -6.859 -2.937 422 HB3 PHE 53 HB3 PHE 53 -19.160 -7.603 -1.929 423 HD1 PHE 53 HD2 PHE 53 -18.376 -4.816 -4.163 424 HD2 PHE 53 HD1 PHE 53 -21.367 -6.692 -1.799 425 HE1 PHE 53 HE2 PHE 53 -20.100 -3.453 -5.270 426 HE2 PHE 53 HE1 PHE 53 -23.096 -5.332 -2.898 427 HZ PHE 53 HZ PHE 53 -22.463 -3.708 -4.633 428 H ARG 54 H ARG 54 -19.851 -6.380 0.741 429 HA ARG 54 HA ARG 54 -18.587 -8.715 1.955 430 HB2 ARG 54 HB2 ARG 54 -17.572 -7.012 3.241 431 HB3 ARG 54 HB3 ARG 54 -19.048 -6.066 3.310 432 HG2 ARG 54 HG2 ARG 54 -18.625 -7.020 5.454 433 HG3 ARG 54 HG3 ARG 54 -20.045 -7.798 4.754 434 HD2 ARG 54 HD2 ARG 54 -18.828 -9.760 4.242 435 HD3 ARG 54 HD3 ARG 54 -17.282 -8.969 4.570 436 HE ARG 54 HE ARG 54 -19.199 -9.951 6.534 437 HH11 ARG 54 1HH1 ARG 54 -16.309 -8.156 5.838 438 HH12 ARG 54 2HH1 ARG 54 -15.689 -8.234 7.458 439 HH21 ARG 54 1HH2 ARG 54 -18.385 -10.079 8.715 440 HH22 ARG 54 2HH2 ARG 54 -16.865 -9.337 9.084 441 H HIS 55 H HIS 55 -20.328 -10.077 1.663 442 HA HIS 55 HA HIS 55 -22.420 -10.954 1.844 443 HB2 HIS 55 HB2 HIS 55 -22.315 -9.067 4.155 444 HB3 HIS 55 HB3 HIS 55 -23.861 -9.798 3.741 445 HD1 HIS 55 HD1 HIS 55 -24.303 -12.002 4.792 446 HD2 HIS 55 HD2 HIS 55 -20.234 -11.137 4.613 447 HE1 HIS 55 HE1 HIS 55 -23.120 -13.871 6.025 448 H GLY 56 H GLY 56 -21.941 -8.608 0.076 449 HA2 GLY 56 HA2 GLY 56 -23.416 -7.701 -1.520 450 HA3 GLY 56 HA3 GLY 56 -24.751 -7.978 -0.409 451 H ASN 57 H ASN 57 -22.746 -6.694 1.639 452 HA ASN 57 HA ASN 57 -23.744 -3.978 1.251 453 HB2 ASN 57 HB2 ASN 57 -22.033 -4.927 3.550 454 HB3 ASN 57 HB3 ASN 57 -23.119 -3.543 3.505 455 HD21 ASN 57 HD21 ASN 57 -22.816 -6.933 3.940 456 HD22 ASN 57 HD22 ASN 57 -24.442 -7.233 4.485 457 H ILE 58 H ILE 58 -22.032 -2.280 2.096 458 HA ILE 58 HA ILE 58 -19.548 -2.759 0.582 459 HB ILE 58 HB ILE 58 -21.185 -0.253 0.893 460 HG12 ILE 58 HG12 ILE 58 -21.717 -1.873 -0.928 461 HG13 ILE 58 HG13 ILE 58 -21.240 -0.284 -1.523 462 HG21 ILE 58 HG21 ILE 58 -18.375 -0.444 -0.189 463 HG22 ILE 58 HG22 ILE 58 -18.859 0.351 1.310 464 HG23 ILE 58 HG23 ILE 58 -19.410 0.984 -0.241 465 HD11 ILE 58 HD11 ILE 58 -20.256 -2.074 -2.838 466 HD12 ILE 58 HD12 ILE 58 -19.490 -2.727 -1.389 467 HD13 ILE 58 HD13 ILE 58 -19.014 -1.145 -2.001 468 H VAL 59 H VAL 59 -17.832 -2.900 1.797 469 HA VAL 59 HA VAL 59 -17.812 -1.658 4.451 470 HB VAL 59 HB VAL 59 -15.955 -3.684 3.188 471 HG11 VAL 59 HG11 VAL 59 -14.938 -3.788 5.495 472 HG12 VAL 59 HG12 VAL 59 -15.763 -2.267 5.839 473 HG13 VAL 59 HG13 VAL 59 -14.553 -2.345 4.557 474 HG21 VAL 59 HG21 VAL 59 -18.101 -4.572 3.921 475 HG22 VAL 59 HG22 VAL 59 -17.866 -3.853 5.515 476 HG23 VAL 59 HG23 VAL 59 -16.799 -5.147 4.965 477 H ALA 60 H ALA 60 -16.078 -1.660 1.387 478 HA ALA 60 HA ALA 60 -14.845 0.882 2.215 479 HB1 ALA 60 1HB ALA 60 -13.133 -0.871 2.299 480 HB2 ALA 60 HB2 ALA 60 -12.797 0.317 1.037 481 HB3 ALA 60 HB3 ALA 60 -13.457 -1.263 0.608 482 H TYR 61 H TYR 61 -14.836 2.480 0.699 483 HA TYR 61 HA TYR 61 -15.579 1.803 -2.039 484 HB2 TYR 61 HB2 TYR 61 -17.685 2.405 -0.822 485 HB3 TYR 61 HB3 TYR 61 -16.989 3.989 -0.485 486 HD1 TYR 61 HD1 TYR 61 -17.569 1.724 -3.369 487 HD2 TYR 61 HD2 TYR 61 -17.549 5.721 -1.937 488 HE1 TYR 61 HE1 TYR 61 -18.335 2.491 -5.563 489 HE2 TYR 61 HE2 TYR 61 -18.323 6.515 -4.138 490 HH TYR 61 HH TYR 61 -19.222 4.245 -6.697 491 H GLY 62 H GLY 62 -14.757 3.177 -3.569 492 HA2 GLY 62 HA2 GLY 62 -13.669 5.747 -2.827 493 HA3 GLY 62 HA3 GLY 62 -12.466 4.551 -3.294 494 H LYS 63 H LYS 63 -14.911 6.721 -4.389 495 HA LYS 63 HA LYS 63 -14.696 5.734 -7.132 496 HB2 LYS 63 HB2 LYS 63 -16.917 6.477 -6.197 497 HB3 LYS 63 HB3 LYS 63 -16.276 8.116 -6.127 498 HG2 LYS 63 HG2 LYS 63 -15.756 7.755 -8.632 499 HG3 LYS 63 HG3 LYS 63 -16.926 6.444 -8.515 500 HD2 LYS 63 HD2 LYS 63 -17.861 8.947 -7.337 501 HD3 LYS 63 HD3 LYS 63 -17.491 9.080 -9.054 502 HE2 LYS 63 HE2 LYS 63 -19.741 8.482 -9.008 503 HE3 LYS 63 HE3 LYS 63 -18.904 6.968 -9.337 504 HZ1 LYS 63 HZ1 LYS 63 -20.650 6.714 -7.684 505 HZ2 LYS 63 HZ2 LYS 63 -19.888 7.841 -6.672 506 HZ3 LYS 63 HZ3 LYS 63 -19.133 6.361 -7.021 507 H SER 64 H SER 64 -13.040 6.423 -8.334 508 HA SER 64 HA SER 64 -12.302 9.247 -8.212 509 HB2 SER 64 HB2 SER 64 -10.308 6.987 -7.965 510 HB3 SER 64 HB3 SER 64 -9.893 8.688 -8.178 511 HG SER 64 HG SER 64 -11.626 8.416 -6.147 512 H ARG 65 H ARG 65 -10.944 9.901 -10.046 513 HA ARG 65 HA ARG 65 -11.897 8.703 -12.489 514 HB2 ARG 65 HB2 ARG 65 -9.936 10.957 -12.000 515 HB3 ARG 65 HB3 ARG 65 -10.562 10.495 -13.576 516 HG2 ARG 65 HG2 ARG 65 -12.752 11.183 -13.012 517 HG3 ARG 65 HG3 ARG 65 -12.331 11.351 -11.308 518 HD2 ARG 65 HD2 ARG 65 -12.466 13.528 -12.387 519 HD3 ARG 65 HD3 ARG 65 -10.819 13.187 -11.856 520 HE ARG 65 HE ARG 65 -11.759 13.051 -14.650 521 HH11 ARG 65 1HH1 ARG 65 -9.190 13.397 -12.295 522 HH12 ARG 65 2HH1 ARG 65 -8.013 13.915 -13.467 523 HH21 ARG 65 1HH2 ARG 65 -10.211 13.699 -16.197 524 HH22 ARG 65 2HH2 ARG 65 -8.589 14.085 -15.682 525 H LYS 66 H LYS 66 -9.162 8.450 -10.461 526 HA LYS 66 HA LYS 66 -7.692 6.990 -12.541 527 HB2 LYS 66 HB2 LYS 66 -6.703 9.017 -11.163 528 HB3 LYS 66 HB3 LYS 66 -6.432 7.773 -9.949 529 HG2 LYS 66 HG2 LYS 66 -4.458 8.081 -11.321 530 HG3 LYS 66 HG3 LYS 66 -5.144 6.473 -11.571 531 HD2 LYS 66 HD2 LYS 66 -6.295 7.327 -13.595 532 HD3 LYS 66 HD3 LYS 66 -5.481 8.874 -13.365 533 HE2 LYS 66 HE2 LYS 66 -3.322 7.805 -13.632 534 HE3 LYS 66 HE3 LYS 66 -4.100 6.230 -13.783 535 HZ1 LYS 66 HZ1 LYS 66 -4.462 8.514 -15.651 536 HZ2 LYS 66 HZ2 LYS 66 -5.183 6.989 -15.801 537 HZ3 LYS 66 HZ3 LYS 66 -3.500 7.147 -15.941 538 H VAL 67 H VAL 67 -7.305 4.898 -12.309 539 HA VAL 67 HA VAL 67 -8.834 3.274 -10.686 540 HB VAL 67 HB VAL 67 -7.803 2.480 -12.743 541 HG11 VAL 67 HG11 VAL 67 -5.434 1.922 -12.872 542 HG12 VAL 67 HG12 VAL 67 -5.186 2.611 -11.269 543 HG13 VAL 67 HG13 VAL 67 -5.681 3.649 -12.608 544 HG21 VAL 67 HG21 VAL 67 -6.836 0.306 -11.916 545 HG22 VAL 67 HG22 VAL 67 -8.440 0.712 -11.317 546 HG23 VAL 67 HG23 VAL 67 -7.030 0.939 -10.281 547 H ALA 68 H ALA 68 -5.556 4.463 -10.134 548 HA ALA 68 HA ALA 68 -5.094 2.703 -7.922 549 HB1 ALA 68 1HB ALA 68 -3.508 5.080 -8.860 550 HB2 ALA 68 HB2 ALA 68 -3.299 3.412 -9.404 551 HB3 ALA 68 HB3 ALA 68 -2.965 3.841 -7.725 552 H ASN 69 H ASN 69 -6.083 6.073 -8.286 553 HA ASN 69 HA ASN 69 -5.760 6.745 -5.535 554 HB2 ASN 69 HB2 ASN 69 -5.993 8.410 -7.427 555 HB3 ASN 69 HB3 ASN 69 -7.706 8.016 -7.472 556 HD21 ASN 69 HD21 ASN 69 -9.053 8.726 -5.832 557 HD22 ASN 69 HD22 ASN 69 -8.548 9.900 -4.659 558 H ALA 70 H ALA 70 -8.444 5.629 -7.515 559 HA ALA 70 HA ALA 70 -10.450 5.548 -5.591 560 HB1 ALA 70 1HB ALA 70 -10.840 5.224 -7.982 561 HB2 ALA 70 HB2 ALA 70 -11.509 3.883 -7.051 562 HB3 ALA 70 HB3 ALA 70 -9.984 3.682 -7.919 563 H LYS 71 H LYS 71 -8.071 3.079 -6.500 564 HA LYS 71 HA LYS 71 -8.712 1.076 -4.687 565 HB2 LYS 71 HB2 LYS 71 -6.061 2.008 -5.762 566 HB3 LYS 71 HB3 LYS 71 -6.202 0.618 -4.702 567 HG2 LYS 71 HG2 LYS 71 -7.598 -0.496 -6.306 568 HG3 LYS 71 HG3 LYS 71 -7.532 0.916 -7.365 569 HD2 LYS 71 HD2 LYS 71 -5.109 0.667 -7.549 570 HD3 LYS 71 HD3 LYS 71 -5.169 -0.735 -6.478 571 HE2 LYS 71 HE2 LYS 71 -6.688 -0.599 -9.064 572 HE3 LYS 71 HE3 LYS 71 -5.031 -1.192 -8.967 573 HZ1 LYS 71 HZ1 LYS 71 -6.906 -2.897 -8.827 574 HZ2 LYS 71 HZ2 LYS 71 -7.163 -2.321 -7.253 575 HZ3 LYS 71 HZ3 LYS 71 -5.672 -3.002 -7.671 576 H TYR 72 H TYR 72 -6.567 3.848 -4.307 577 HA TYR 72 HA TYR 72 -5.495 3.238 -1.853 578 HB2 TYR 72 HB2 TYR 72 -4.489 4.990 -3.055 579 HB3 TYR 72 HB3 TYR 72 -6.016 5.835 -3.273 580 HD1 TYR 72 HD2 TYR 72 -3.333 5.071 -0.848 581 HD2 TYR 72 HD1 TYR 72 -6.791 7.408 -1.685 582 HE1 TYR 72 HE2 TYR 72 -2.802 6.524 1.064 583 HE2 TYR 72 HE1 TYR 72 -6.269 8.875 0.224 584 HH TYR 72 HH TYR 72 -5.010 8.784 2.333 585 H ILE 73 H ILE 73 -8.405 5.087 -2.582 586 HA ILE 73 HA ILE 73 -9.025 5.905 0.024 587 HB ILE 73 HB ILE 73 -10.895 5.374 -2.286 588 HG12 ILE 73 HG12 ILE 73 -9.751 8.029 -1.447 589 HG13 ILE 73 HG13 ILE 73 -8.891 6.974 -2.563 590 HG21 ILE 73 HG21 ILE 73 -12.114 5.542 -0.200 591 HG22 ILE 73 HG22 ILE 73 -12.374 6.999 -1.163 592 HG23 ILE 73 HG23 ILE 73 -11.264 7.035 0.208 593 HD11 ILE 73 HD11 ILE 73 -10.795 7.031 -4.077 594 HD12 ILE 73 HD12 ILE 73 -10.149 8.642 -3.760 595 HD13 ILE 73 HD13 ILE 73 -11.638 8.114 -2.969 596 H MET 74 H MET 74 -10.358 3.174 -1.859 597 HA MET 74 HA MET 74 -11.987 2.241 0.249 598 HB2 MET 74 HB2 MET 74 -12.312 0.230 -1.066 599 HB3 MET 74 HB3 MET 74 -12.372 1.634 -2.121 600 HG2 MET 74 HG2 MET 74 -10.297 1.157 -3.054 601 HG3 MET 74 HG3 MET 74 -9.867 0.053 -1.749 602 HE1 MET 74 HE1 MET 74 -9.047 -1.434 -3.935 603 HE2 MET 74 HE2 MET 74 -10.024 -2.903 -3.882 604 HE3 MET 74 HE3 MET 74 -9.481 -2.149 -2.379 605 H LYS 75 H LYS 75 -8.704 1.358 -0.780 606 HA LYS 75 HA LYS 75 -8.346 -0.864 0.875 607 HB2 LYS 75 HB2 LYS 75 -6.380 1.152 -0.201 608 HB3 LYS 75 HB3 LYS 75 -5.886 -0.276 0.697 609 HG2 LYS 75 HG2 LYS 75 -6.679 -1.729 -0.979 610 HG3 LYS 75 HG3 LYS 75 -7.574 -0.434 -1.779 611 HD2 LYS 75 HD2 LYS 75 -5.480 0.666 -2.355 612 HD3 LYS 75 HD3 LYS 75 -4.574 -0.607 -1.536 613 HE2 LYS 75 HE2 LYS 75 -6.452 -1.131 -3.829 614 HE3 LYS 75 HE3 LYS 75 -4.737 -0.792 -4.050 615 HZ1 LYS 75 HZ1 LYS 75 -5.979 -3.127 -2.698 616 HZ2 LYS 75 HZ2 LYS 75 -4.343 -2.724 -2.505 617 HZ3 LYS 75 HZ3 LYS 75 -4.939 -3.108 -4.041 618 H GLN 76 H GLN 76 -7.682 2.566 1.491 619 HA GLN 76 HA GLN 76 -6.598 2.212 4.071 620 HB2 GLN 76 HB2 GLN 76 -7.873 4.572 2.703 621 HB3 GLN 76 HB3 GLN 76 -7.226 4.668 4.333 622 HG2 GLN 76 HG2 GLN 76 -5.668 3.916 1.870 623 HG3 GLN 76 HG3 GLN 76 -5.640 5.486 2.671 624 HE21 GLN 76 HE21 GLN 76 -3.475 3.594 2.177 625 HE22 GLN 76 HE22 GLN 76 -2.797 3.220 3.725 626 H ARG 77 H ARG 77 -9.868 2.205 2.928 627 HA ARG 77 HA ARG 77 -11.168 2.878 5.341 628 HB2 ARG 77 HB2 ARG 77 -12.114 1.118 3.079 629 HB3 ARG 77 HB3 ARG 77 -13.129 1.678 4.402 630 HG2 ARG 77 HG2 ARG 77 -11.797 3.353 2.292 631 HG3 ARG 77 HG3 ARG 77 -13.521 3.055 2.506 632 HD2 ARG 77 HD2 ARG 77 -11.709 4.553 4.394 633 HD3 ARG 77 HD3 ARG 77 -12.934 5.260 3.344 634 HE ARG 77 HE ARG 77 -14.576 3.929 4.717 635 HH11 ARG 77 1HH1 ARG 77 -11.489 4.920 6.031 636 HH12 ARG 77 2HH1 ARG 77 -12.053 4.998 7.673 637 HH21 ARG 77 1HH2 ARG 77 -15.344 4.056 6.876 638 HH22 ARG 77 2HH2 ARG 77 -14.256 4.521 8.148 639 H LEU 78 H LEU 78 -10.911 -0.414 3.918 640 HA LEU 78 HA LEU 78 -11.522 -1.660 6.396 641 HB2 LEU 78 HB2 LEU 78 -9.866 -3.362 4.756 642 HB3 LEU 78 HB3 LEU 78 -11.532 -3.565 5.261 643 HG LEU 78 HG LEU 78 -12.062 -1.906 3.328 644 HD11 LEU 78 HD11 LEU 78 -10.503 -1.996 1.482 645 HD12 LEU 78 HD12 LEU 78 -9.391 -2.979 2.434 646 HD13 LEU 78 HD13 LEU 78 -9.706 -1.306 2.897 647 HD21 LEU 78 HD21 LEU 78 -12.625 -4.321 3.465 648 HD22 LEU 78 HD22 LEU 78 -11.077 -4.668 2.688 649 HD23 LEU 78 HD23 LEU 78 -12.309 -3.748 1.826 650 H LEU 79 H LEU 79 -8.496 -0.629 4.971 651 HA LEU 79 HA LEU 79 -6.659 -1.965 6.555 652 HB2 LEU 79 HB2 LEU 79 -6.117 -0.496 4.637 653 HB3 LEU 79 HB3 LEU 79 -6.537 0.903 5.597 654 HG LEU 79 HG LEU 79 -4.055 0.317 5.258 655 HD11 LEU 79 HD11 LEU 79 -4.875 2.028 6.796 656 HD12 LEU 79 HD12 LEU 79 -3.462 1.183 7.434 657 HD13 LEU 79 HD13 LEU 79 -5.070 0.801 8.050 658 HD21 LEU 79 HD21 LEU 79 -4.174 -2.039 5.796 659 HD22 LEU 79 HD22 LEU 79 -4.761 -1.664 7.417 660 HD23 LEU 79 HD23 LEU 79 -3.123 -1.208 6.942 661 H LYS 80 H LYS 80 -8.291 1.125 7.210 662 HA LYS 80 HA LYS 80 -7.196 1.439 9.801 663 HB2 LYS 80 HB2 LYS 80 -9.243 2.778 8.182 664 HB3 LYS 80 HB3 LYS 80 -9.566 2.816 9.910 665 HG2 LYS 80 HG2 LYS 80 -7.023 3.749 8.593 666 HG3 LYS 80 HG3 LYS 80 -8.335 4.789 9.151 667 HD2 LYS 80 HD2 LYS 80 -6.628 2.983 10.871 668 HD3 LYS 80 HD3 LYS 80 -6.536 4.742 10.791 669 HE2 LYS 80 HE2 LYS 80 -8.861 4.865 11.614 670 HE3 LYS 80 HE3 LYS 80 -8.878 3.109 11.762 671 HZ1 LYS 80 HZ1 LYS 80 -7.043 3.278 13.351 672 HZ2 LYS 80 HZ2 LYS 80 -8.406 4.134 13.882 673 HZ3 LYS 80 HZ3 LYS 80 -7.084 4.971 13.230 674 H LEU 81 H LEU 81 -9.926 -0.341 8.576 675 HA LEU 81 HA LEU 81 -11.293 -0.558 11.067 676 HB2 LEU 81 HB2 LEU 81 -11.518 -2.214 8.562 677 HB3 LEU 81 HB3 LEU 81 -12.597 -2.340 9.939 678 HG LEU 81 HG LEU 81 -12.238 0.108 8.208 679 HD11 LEU 81 HD11 LEU 81 -14.547 -1.814 8.424 680 HD12 LEU 81 HD12 LEU 81 -13.422 -1.699 7.070 681 HD13 LEU 81 HD13 LEU 81 -14.497 -0.350 7.440 682 HD21 LEU 81 HD21 LEU 81 -14.130 1.015 9.462 683 HD22 LEU 81 HD22 LEU 81 -12.748 0.700 10.511 684 HD23 LEU 81 HD23 LEU 81 -14.119 -0.409 10.504 685 H LEU 82 H LEU 82 -8.910 -2.572 9.408 686 HA LEU 82 HA LEU 82 -9.106 -4.628 11.434 687 HB2 LEU 82 HB2 LEU 82 -7.199 -5.664 10.214 688 HB3 LEU 82 HB3 LEU 82 -8.635 -5.396 9.247 689 HG LEU 82 HG LEU 82 -7.221 -3.127 8.725 690 HD11 LEU 82 HD11 LEU 82 -5.258 -3.830 9.932 691 HD12 LEU 82 HD12 LEU 82 -4.920 -3.862 8.198 692 HD13 LEU 82 HD13 LEU 82 -5.232 -5.366 9.066 693 HD21 LEU 82 HD21 LEU 82 -6.657 -4.225 6.604 694 HD22 LEU 82 HD22 LEU 82 -8.330 -4.493 7.090 695 HD23 LEU 82 HD23 LEU 82 -7.133 -5.774 7.297 696 H GLU 83 H GLU 83 -7.455 -1.695 11.106 697 HA GLU 83 HA GLU 83 -5.365 -2.399 13.016 698 HB2 GLU 83 HB2 GLU 83 -6.055 0.220 11.668 699 HB3 GLU 83 HB3 GLU 83 -4.688 -0.018 12.745 700 HG2 GLU 83 HG2 GLU 83 -5.052 -1.599 10.220 701 HG3 GLU 83 HG3 GLU 83 -4.216 -0.049 10.265 702 H ASP 84 H ASP 84 -8.260 -0.392 12.798 703 HA ASP 84 HA ASP 84 -8.046 0.541 15.529 704 HB2 ASP 84 HB2 ASP 84 -9.003 1.856 13.551 705 HB3 ASP 84 HB3 ASP 84 -10.419 0.825 13.682 706 H LYS 85 H LYS 85 -9.382 -2.073 13.842 707 HA LYS 85 HA LYS 85 -10.483 -3.936 14.445 708 HB2 LYS 85 HB2 LYS 85 -10.046 -2.957 17.273 709 HB3 LYS 85 HB3 LYS 85 -10.572 -4.576 16.821 710 HG2 LYS 85 HG2 LYS 85 -7.923 -3.284 16.190 711 HG3 LYS 85 HG3 LYS 85 -8.220 -4.637 17.288 712 HD2 LYS 85 HD2 LYS 85 -8.803 -4.708 14.326 713 HD3 LYS 85 HD3 LYS 85 -7.295 -5.276 15.042 714 HE2 LYS 85 HE2 LYS 85 -9.984 -6.320 15.889 715 HE3 LYS 85 HE3 LYS 85 -9.068 -7.029 14.559 716 HZ1 LYS 85 HZ1 LYS 85 -8.629 -8.229 16.578 717 HZ2 LYS 85 HZ2 LYS 85 -8.180 -6.810 17.387 718 HZ3 LYS 85 HZ3 LYS 85 -7.226 -7.395 16.118 719 H SER 86 H SER 86 -11.963 -1.853 13.587 720 HA SER 86 HA SER 86 -14.303 -1.593 15.269 721 HB2 SER 86 HB2 SER 86 -13.864 -0.716 12.403 722 HB3 SER 86 HB3 SER 86 -15.170 -0.198 13.470 723 HG SER 86 HG SER 86 -12.857 0.243 14.713 724 H ASN 87 H ASN 87 -16.265 -2.576 14.921 725 HA ASN 87 HA ASN 87 -16.143 -5.208 13.881 726 HB2 ASN 87 HB2 ASN 87 -18.477 -5.390 14.548 727 HB3 ASN 87 HB3 ASN 87 -17.548 -4.590 15.809 728 HD21 ASN 87 HD21 ASN 87 -20.430 -4.540 15.112 729 HD22 ASN 87 HD22 ASN 87 -20.822 -2.866 14.941 730 H LEU 88 H LEU 88 -16.647 -2.317 12.274 731 HA LEU 88 HA LEU 88 -18.767 -2.849 10.554 732 HB2 LEU 88 HB2 LEU 88 -16.294 -1.193 10.093 733 HB3 LEU 88 HB3 LEU 88 -17.650 -1.235 8.985 734 HG LEU 88 HG LEU 88 -18.012 0.699 10.219 735 HD11 LEU 88 HD11 LEU 88 -19.575 -1.444 11.648 736 HD12 LEU 88 HD12 LEU 88 -20.020 -0.667 10.126 737 HD13 LEU 88 HD13 LEU 88 -19.969 0.276 11.616 738 HD21 LEU 88 HD21 LEU 88 -16.307 0.387 11.912 739 HD22 LEU 88 HD22 LEU 88 -17.303 -0.825 12.718 740 HD23 LEU 88 HD23 LEU 88 -17.835 0.856 12.660 741 H LEU 89 H LEU 89 -15.364 -3.773 10.261 742 HA LEU 89 HA LEU 89 -16.095 -5.329 7.864 743 HB2 LEU 89 HB2 LEU 89 -14.285 -3.881 7.360 744 HB3 LEU 89 HB3 LEU 89 -13.439 -4.285 8.837 745 HG LEU 89 HG LEU 89 -13.479 -6.704 7.747 746 HD11 LEU 89 HD11 LEU 89 -14.755 -5.942 5.790 747 HD12 LEU 89 HD12 LEU 89 -13.198 -6.663 5.380 748 HD13 LEU 89 HD13 LEU 89 -13.392 -4.912 5.346 749 HD21 LEU 89 HD21 LEU 89 -11.227 -6.254 6.940 750 HD22 LEU 89 HD22 LEU 89 -11.528 -5.479 8.498 751 HD23 LEU 89 HD23 LEU 89 -11.550 -4.521 7.017 752 H LEU 90 H LEU 90 -15.469 -5.585 11.136 753 HA LEU 90 HA LEU 90 -14.369 -8.299 10.882 754 HB2 LEU 90 HB2 LEU 90 -14.169 -6.448 13.245 755 HB3 LEU 90 HB3 LEU 90 -13.280 -7.940 12.982 756 HG LEU 90 HG LEU 90 -12.997 -5.583 11.134 757 HD11 LEU 90 HD11 LEU 90 -12.434 -4.724 13.272 758 HD12 LEU 90 HD12 LEU 90 -10.927 -5.069 12.419 759 HD13 LEU 90 HD13 LEU 90 -11.501 -6.167 13.675 760 HD21 LEU 90 HD21 LEU 90 -10.879 -6.626 10.582 761 HD22 LEU 90 HD22 LEU 90 -12.207 -7.764 10.332 762 HD23 LEU 90 HD23 LEU 90 -11.180 -7.907 11.758 763 H TYR 91 H TYR 91 -17.313 -7.338 11.100 764 HA TYR 91 HA TYR 91 -18.170 -8.197 13.679 765 HB2 TYR 91 HB2 TYR 91 -20.430 -7.975 12.850 766 HB3 TYR 91 HB3 TYR 91 -19.479 -6.605 12.298 767 HD1 TYR 91 HD2 TYR 91 -20.925 -9.860 11.214 768 HD2 TYR 91 HD1 TYR 91 -19.302 -6.109 10.003 769 HE1 TYR 91 HE2 TYR 91 -21.646 -10.293 8.913 770 HE2 TYR 91 HE1 TYR 91 -20.022 -6.543 7.694 771 HH TYR 91 HH TYR 91 -22.240 -8.899 6.872 772 H SER 92 H SER 92 -19.584 -10.000 14.111 773 HA SER 92 HA SER 92 -18.636 -12.429 12.880 774 HB2 SER 92 HB2 SER 92 -20.696 -12.036 15.066 775 HB3 SER 92 HB3 SER 92 -19.928 -13.560 14.617 776 HG SER 92 HG SER 92 -18.032 -11.722 15.092 777 H CYS 93 H CYS 93 -19.858 -13.862 11.682 778 HA CYS 93 HA CYS 93 -22.563 -13.070 10.885 779 HB2 CYS 93 HB2 CYS 93 -22.072 -13.017 8.595 780 HB3 CYS 93 HB3 CYS 93 -20.735 -12.132 9.333 781 H ASN 94 H ASN 94 -23.429 -14.790 9.277 782 HA ASN 94 HA ASN 94 -22.674 -17.422 10.350 783 HB2 ASN 94 HB2 ASN 94 -24.991 -16.684 10.789 784 HB3 ASN 94 HB3 ASN 94 -25.267 -16.556 9.056 785 HD21 ASN 94 HD21 ASN 94 -23.421 -19.098 10.630 786 HD22 ASN 94 HD22 ASN 94 -24.525 -20.381 10.259 787 H CYS 95 H CYS 95 -20.846 -17.163 8.542 788 HA CYS 95 HA CYS 95 -21.975 -18.407 6.154 789 HB2 CYS 95 HB2 CYS 95 -19.210 -17.401 6.774 790 HB3 CYS 95 HB3 CYS 95 -19.570 -18.364 5.339 791 H LYS 96 H LYS 96 -21.055 -19.338 9.139 792 HA LYS 96 HA LYS 96 -20.898 -22.097 8.304 793 HB2 LYS 96 HB2 LYS 96 -18.929 -22.594 9.725 794 HB3 LYS 96 HB3 LYS 96 -18.536 -21.571 8.356 795 HG2 LYS 96 HG2 LYS 96 -18.549 -19.611 9.837 796 HG3 LYS 96 HG3 LYS 96 -18.893 -20.670 11.207 797 HD2 LYS 96 HD2 LYS 96 -16.447 -20.820 9.441 798 HD3 LYS 96 HD3 LYS 96 -16.503 -20.109 11.054 799 HE2 LYS 96 HE2 LYS 96 -17.053 -22.257 12.020 800 HE3 LYS 96 HE3 LYS 96 -17.136 -22.989 10.417 801 HZ1 LYS 96 HZ1 LYS 96 -14.705 -21.837 11.689 802 HZ2 LYS 96 HZ2 LYS 96 -14.779 -22.497 10.128 803 HZ3 LYS 96 HZ3 LYS 96 -15.039 -23.488 11.477 804 H PHE 97 H PHE 97 -20.686 -19.882 11.075 805 HA PHE 97 HA PHE 97 -23.100 -20.959 12.200 806 HB2 PHE 97 HB2 PHE 97 -22.192 -21.638 14.339 807 HB3 PHE 97 HB3 PHE 97 -21.339 -22.530 13.086 808 HD1 PHE 97 HD1 PHE 97 -21.071 -19.703 15.457 809 HD2 PHE 97 HD2 PHE 97 -19.006 -22.320 12.810 810 HE1 PHE 97 HE1 PHE 97 -18.927 -18.918 16.361 811 HE2 PHE 97 HE2 PHE 97 -16.859 -21.534 13.705 812 HZ PHE 97 HZ PHE 97 -16.814 -19.834 15.485 813 H SER 98 H SER 98 -23.706 -19.654 14.165 814 HA SER 98 HA SER 98 -22.163 -17.500 15.093 815 HB2 SER 98 HB2 SER 98 -23.488 -15.613 14.131 816 HB3 SER 98 HB3 SER 98 -22.524 -16.475 12.930 817 HG SER 98 HG SER 98 -24.818 -17.708 12.985 818 H LYS 99 H LYS 99 -23.647 -15.837 16.196 819 HA LYS 99 HA LYS 99 -25.578 -17.382 17.760 820 HB2 LYS 99 HB2 LYS 99 -24.420 -14.688 18.437 821 HB3 LYS 99 HB3 LYS 99 -25.064 -15.909 19.533 822 HG2 LYS 99 HG2 LYS 99 -23.188 -17.292 19.280 823 HG3 LYS 99 HG3 LYS 99 -22.637 -16.423 17.850 824 HD2 LYS 99 HD2 LYS 99 -22.613 -15.456 20.697 825 HD3 LYS 99 HD3 LYS 99 -21.232 -15.856 19.676 826 HE2 LYS 99 HE2 LYS 99 -21.738 -13.996 18.208 827 HE3 LYS 99 HE3 LYS 99 -23.176 -13.613 19.154 828 HZ1 LYS 99 HZ1 LYS 99 -21.763 -13.148 21.058 829 HZ2 LYS 99 HZ2 LYS 99 -21.334 -12.169 19.740 830 HZ3 LYS 99 HZ3 LYS 99 -20.379 -13.509 20.150 831 H LYS 100 H LYS 100 -27.688 -16.911 17.684 832 HA LYS 100 HA LYS 100 -28.611 -14.893 15.854 833 HB2 LYS 100 HB2 LYS 100 -29.733 -17.088 16.058 834 HB3 LYS 100 HB3 LYS 100 -30.182 -16.691 17.711 835 HG2 LYS 100 HG2 LYS 100 -32.071 -16.318 16.304 836 HG3 LYS 100 HG3 LYS 100 -31.462 -14.750 16.836 837 HD2 LYS 100 HD2 LYS 100 -30.135 -14.761 14.626 838 HD3 LYS 100 HD3 LYS 100 -31.245 -16.046 14.141 839 HE2 LYS 100 HE2 LYS 100 -33.136 -14.506 14.697 840 HE3 LYS 100 HE3 LYS 100 -31.942 -13.230 14.953 841 HZ1 LYS 100 HZ1 LYS 100 -32.556 -14.649 12.423 842 HZ2 LYS 100 HZ2 LYS 100 -31.192 -13.664 12.621 843 HZ3 LYS 100 HZ3 LYS 100 -32.742 -12.995 12.759 844 H LYS 101 H LYS 101 -29.537 -12.965 16.328 845 HA LYS 101 HA LYS 101 -29.050 -11.909 18.966 846 HB2 LYS 101 HB2 LYS 101 -30.068 -10.667 16.413 847 HB3 LYS 101 HB3 LYS 101 -29.985 -9.777 17.926 848 HG2 LYS 101 HG2 LYS 101 -28.050 -9.240 16.653 849 HG3 LYS 101 HG3 LYS 101 -27.538 -10.263 17.993 850 HD2 LYS 101 HD2 LYS 101 -27.554 -12.206 16.469 851 HD3 LYS 101 HD3 LYS 101 -27.975 -11.130 15.136 852 HE2 LYS 101 HE2 LYS 101 -25.480 -10.931 16.823 853 HE3 LYS 101 HE3 LYS 101 -25.561 -11.651 15.217 854 HZ1 LYS 101 HZ1 LYS 101 -26.253 -9.497 14.339 855 HZ2 LYS 101 HZ2 LYS 101 -24.743 -9.393 15.108 856 HZ3 LYS 101 HZ3 LYS 101 -26.132 -8.810 15.887 Start of MODEL 3 1 H MET 1 H MET 1 5.164 0.681 2.032 2 HA MET 1 HA MET 1 4.758 -1.651 2.298 3 HB2 MET 1 HB2 MET 1 4.206 -0.065 4.815 4 HB3 MET 1 HB3 MET 1 4.683 -1.757 4.779 5 HG2 MET 1 HG2 MET 1 6.314 0.571 3.795 6 HG3 MET 1 HG3 MET 1 6.577 -0.336 5.281 7 HE1 MET 1 HE1 MET 1 6.044 -3.336 4.362 8 HE2 MET 1 HE2 MET 1 7.391 -2.827 5.380 9 HE3 MET 1 HE3 MET 1 7.688 -3.830 3.959 10 H LYS 2 H LYS 2 2.042 0.308 3.506 11 HA LYS 2 HA LYS 2 0.308 -2.009 3.655 12 HB2 LYS 2 HB2 LYS 2 -0.448 0.921 3.750 13 HB3 LYS 2 HB3 LYS 2 -1.429 -0.435 4.279 14 HG2 LYS 2 HG2 LYS 2 1.191 0.319 5.550 15 HG3 LYS 2 HG3 LYS 2 -0.373 0.916 6.100 16 HD2 LYS 2 HD2 LYS 2 -1.088 -1.438 6.456 17 HD3 LYS 2 HD3 LYS 2 0.543 -1.961 6.025 18 HE2 LYS 2 HE2 LYS 2 1.453 -0.670 7.887 19 HE3 LYS 2 HE3 LYS 2 -0.164 -0.109 8.300 20 HZ1 LYS 2 HZ1 LYS 2 -0.798 -2.385 8.801 21 HZ2 LYS 2 HZ2 LYS 2 0.548 -1.929 9.722 22 HZ3 LYS 2 HZ3 LYS 2 0.749 -2.941 8.376 23 H GLY 3 H GLY 3 0.061 -2.895 1.620 24 HA2 GLY 3 HA2 GLY 3 -1.011 -1.075 -0.444 25 HA3 GLY 3 HA3 GLY 3 0.180 -2.306 -0.826 26 H ASP 4 H ASP 4 -0.567 -4.590 0.009 27 HA ASP 4 HA ASP 4 -2.969 -5.116 -1.493 28 HB2 ASP 4 HB2 ASP 4 -1.195 -7.020 0.049 29 HB3 ASP 4 HB3 ASP 4 -2.497 -7.492 -1.038 30 H ILE 5 H ILE 5 -4.280 -3.827 -0.027 31 HA ILE 5 HA ILE 5 -4.871 -4.636 2.605 32 HB ILE 5 HB ILE 5 -5.505 -2.487 1.057 33 HG12 ILE 5 HG12 ILE 5 -5.424 -2.550 3.512 34 HG13 ILE 5 HG13 ILE 5 -6.839 -1.685 2.926 35 HG21 ILE 5 HG21 ILE 5 -7.225 -3.580 -0.199 36 HG22 ILE 5 HG22 ILE 5 -7.975 -2.400 0.875 37 HG23 ILE 5 HG23 ILE 5 -8.029 -4.113 1.278 38 HD11 ILE 5 HD11 ILE 5 -7.440 -3.042 4.795 39 HD12 ILE 5 HD12 ILE 5 -6.761 -4.476 4.026 40 HD13 ILE 5 HD13 ILE 5 -8.191 -3.700 3.341 41 H GLU 6 H GLU 6 -6.058 -5.588 -0.534 42 HA GLU 6 HA GLU 6 -8.375 -6.944 0.161 43 HB2 GLU 6 HB2 GLU 6 -6.406 -7.705 -2.006 44 HB3 GLU 6 HB3 GLU 6 -8.089 -8.203 -1.918 45 HG2 GLU 6 HG2 GLU 6 -8.202 -6.490 -3.434 46 HG3 GLU 6 HG3 GLU 6 -8.570 -5.646 -1.931 47 H HIS 7 H HIS 7 -5.028 -8.117 0.049 48 HA HIS 7 HA HIS 7 -5.553 -10.768 0.772 49 HB2 HIS 7 HB2 HIS 7 -3.117 -9.041 1.224 50 HB3 HIS 7 HB3 HIS 7 -3.174 -10.745 1.664 51 HD1 HIS 7 HD1 HIS 7 -1.205 -9.596 -0.523 52 HD2 HIS 7 HD2 HIS 7 -4.864 -11.431 -1.262 53 HE1 HIS 7 HE1 HIS 7 -1.085 -10.493 -2.881 54 H LYS 8 H LYS 8 -4.994 -7.890 2.748 55 HA LYS 8 HA LYS 8 -4.846 -9.168 5.250 56 HB2 LYS 8 HB2 LYS 8 -6.084 -6.451 4.908 57 HB3 LYS 8 HB3 LYS 8 -5.082 -7.041 6.223 58 HG2 LYS 8 HG2 LYS 8 -4.175 -6.361 3.436 59 HG3 LYS 8 HG3 LYS 8 -3.861 -5.443 4.908 60 HD2 LYS 8 HD2 LYS 8 -2.558 -7.298 5.798 61 HD3 LYS 8 HD3 LYS 8 -2.894 -8.241 4.343 62 HE2 LYS 8 HE2 LYS 8 -1.759 -6.537 2.991 63 HE3 LYS 8 HE3 LYS 8 -1.412 -5.620 4.457 64 HZ1 LYS 8 HZ1 LYS 8 0.374 -7.186 3.476 65 HZ2 LYS 8 HZ2 LYS 8 -0.509 -8.419 4.233 66 HZ3 LYS 8 HZ3 LYS 8 0.140 -7.148 5.154 67 H VAL 9 H VAL 9 -7.622 -7.709 3.576 68 HA VAL 9 HA VAL 9 -9.548 -8.158 5.544 69 HB VAL 9 HB VAL 9 -9.988 -8.172 2.551 70 HG11 VAL 9 HG11 VAL 9 -12.257 -7.424 3.101 71 HG12 VAL 9 HG12 VAL 9 -11.889 -7.593 4.818 72 HG13 VAL 9 HG13 VAL 9 -11.907 -9.015 3.774 73 HG21 VAL 9 HG21 VAL 9 -10.447 -5.787 2.773 74 HG22 VAL 9 HG22 VAL 9 -8.798 -6.167 3.268 75 HG23 VAL 9 HG23 VAL 9 -10.036 -5.860 4.487 76 H TYR 10 H TYR 10 -8.399 -10.274 2.947 77 HA TYR 10 HA TYR 10 -10.306 -12.326 3.430 78 HB2 TYR 10 HB2 TYR 10 -7.708 -12.212 1.936 79 HB3 TYR 10 HB3 TYR 10 -8.497 -13.758 2.219 80 HD1 TYR 10 HD2 TYR 10 -9.137 -10.375 0.794 81 HD2 TYR 10 HD1 TYR 10 -10.139 -14.507 0.749 82 HE1 TYR 10 HE2 TYR 10 -10.553 -10.000 -1.176 83 HE2 TYR 10 HE1 TYR 10 -11.562 -14.146 -1.227 84 HH TYR 10 HH TYR 10 -11.421 -11.355 -3.091 85 H GLN 11 H GLN 11 -7.073 -11.663 4.637 86 HA GLN 11 HA GLN 11 -6.410 -14.108 5.718 87 HB2 GLN 11 HB2 GLN 11 -5.740 -11.338 6.673 88 HB3 GLN 11 HB3 GLN 11 -5.017 -12.789 7.359 89 HG2 GLN 11 HG2 GLN 11 -4.782 -11.788 4.534 90 HG3 GLN 11 HG3 GLN 11 -3.514 -11.848 5.753 91 HE21 GLN 11 HE21 GLN 11 -5.421 -13.672 3.508 92 HE22 GLN 11 HE22 GLN 11 -4.472 -15.122 3.552 93 H LEU 12 H LEU 12 -8.303 -11.529 7.244 94 HA LEU 12 HA LEU 12 -8.587 -13.201 9.622 95 HB2 LEU 12 HB2 LEU 12 -9.908 -10.960 10.290 96 HB3 LEU 12 HB3 LEU 12 -8.197 -11.204 10.534 97 HG LEU 12 HG LEU 12 -7.920 -10.090 8.221 98 HD11 LEU 12 HD11 LEU 12 -9.681 -8.463 7.685 99 HD12 LEU 12 HD12 LEU 12 -10.702 -9.179 8.933 100 HD13 LEU 12 HD13 LEU 12 -10.231 -10.130 7.524 101 HD21 LEU 12 HD21 LEU 12 -8.853 -8.490 10.605 102 HD22 LEU 12 HD22 LEU 12 -7.892 -7.880 9.256 103 HD23 LEU 12 HD23 LEU 12 -7.219 -9.099 10.339 104 H LEU 13 H LEU 13 -10.635 -11.683 7.166 105 HA LEU 13 HA LEU 13 -13.072 -12.286 8.427 106 HB2 LEU 13 HB2 LEU 13 -12.381 -11.791 5.557 107 HB3 LEU 13 HB3 LEU 13 -14.023 -12.130 6.072 108 HG LEU 13 HG LEU 13 -12.315 -9.769 6.814 109 HD11 LEU 13 HD11 LEU 13 -13.462 -9.718 4.652 110 HD12 LEU 13 HD12 LEU 13 -14.112 -8.520 5.774 111 HD13 LEU 13 HD13 LEU 13 -14.996 -10.016 5.467 112 HD21 LEU 13 HD21 LEU 13 -13.451 -10.528 8.812 113 HD22 LEU 13 HD22 LEU 13 -14.979 -10.624 7.937 114 HD23 LEU 13 HD23 LEU 13 -14.214 -9.056 8.212 115 H LYS 14 H LYS 14 -11.220 -14.128 6.040 116 HA LYS 14 HA LYS 14 -13.108 -16.213 5.755 117 HB2 LYS 14 HB2 LYS 14 -11.417 -17.459 4.665 118 HB3 LYS 14 HB3 LYS 14 -11.049 -15.778 4.295 119 HG2 LYS 14 HG2 LYS 14 -9.284 -15.736 5.891 120 HG3 LYS 14 HG3 LYS 14 -9.743 -17.317 6.517 121 HD2 LYS 14 HD2 LYS 14 -9.192 -18.314 4.337 122 HD3 LYS 14 HD3 LYS 14 -8.678 -16.727 3.761 123 HE2 LYS 14 HE2 LYS 14 -6.751 -18.023 4.441 124 HE3 LYS 14 HE3 LYS 14 -6.974 -16.659 5.535 125 HZ1 LYS 14 HZ1 LYS 14 -7.898 -19.429 6.110 126 HZ2 LYS 14 HZ2 LYS 14 -7.903 -18.112 7.181 127 HZ3 LYS 14 HZ3 LYS 14 -6.433 -18.776 6.659 128 H ASP 15 H ASP 15 -10.746 -15.477 8.180 129 HA ASP 15 HA ASP 15 -10.782 -18.096 9.384 130 HB2 ASP 15 HB2 ASP 15 -9.226 -15.669 9.641 131 HB3 ASP 15 HB3 ASP 15 -9.675 -16.306 11.220 132 H GLN 16 H GLN 16 -12.549 -15.153 9.694 133 HA GLN 16 HA GLN 16 -13.754 -15.921 12.215 134 HB2 GLN 16 HB2 GLN 16 -14.804 -13.814 10.331 135 HB3 GLN 16 HB3 GLN 16 -15.039 -13.934 12.069 136 HG2 GLN 16 HG2 GLN 16 -12.346 -13.762 11.884 137 HG3 GLN 16 HG3 GLN 16 -12.860 -12.792 10.511 138 HE21 GLN 16 HE21 GLN 16 -12.299 -10.872 11.319 139 HE22 GLN 16 HE22 GLN 16 -13.051 -10.123 12.683 140 H GLY 17 H GLY 17 -13.978 -16.982 9.148 141 HA2 GLY 17 HA2 GLY 17 -15.375 -18.729 8.457 142 HA3 GLY 17 HA3 GLY 17 -16.522 -18.279 9.713 143 H CYS 18 H CYS 18 -15.134 -15.951 7.496 144 HA CYS 18 HA CYS 18 -17.772 -15.795 6.184 145 HB2 CYS 18 HB2 CYS 18 -16.830 -13.775 7.532 146 HB3 CYS 18 HB3 CYS 18 -15.765 -13.552 6.145 147 H GLU 19 H GLU 19 -17.874 -15.997 3.988 148 HA GLU 19 HA GLU 19 -15.319 -15.783 2.500 149 HB2 GLU 19 HB2 GLU 19 -15.986 -17.506 1.003 150 HB3 GLU 19 HB3 GLU 19 -16.299 -18.128 2.617 151 HG2 GLU 19 HG2 GLU 19 -18.386 -16.889 0.840 152 HG3 GLU 19 HG3 GLU 19 -18.084 -18.617 0.960 153 H ASP 20 H ASP 20 -18.190 -14.354 3.097 154 HA ASP 20 HA ASP 20 -18.828 -13.590 0.373 155 HB2 ASP 20 HB2 ASP 20 -20.599 -14.285 2.052 156 HB3 ASP 20 HB3 ASP 20 -20.270 -12.777 2.898 157 H PHE 21 H PHE 21 -16.939 -12.344 0.062 158 HA PHE 21 HA PHE 21 -17.386 -9.576 0.435 159 HB2 PHE 21 HB2 PHE 21 -15.177 -9.134 1.636 160 HB3 PHE 21 HB3 PHE 21 -16.495 -9.751 2.621 161 HD1 PHE 21 HD2 PHE 21 -16.423 -11.972 3.542 162 HD2 PHE 21 HD1 PHE 21 -13.202 -10.485 1.196 163 HE1 PHE 21 HE2 PHE 21 -15.002 -13.786 4.362 164 HE2 PHE 21 HE1 PHE 21 -11.762 -12.303 2.021 165 HZ PHE 21 HZ PHE 21 -12.658 -13.963 3.614 166 H GLY 22 H GLY 22 -16.048 -8.300 -0.861 167 HA2 GLY 22 HA2 GLY 22 -13.726 -9.194 -2.179 168 HA3 GLY 22 HA3 GLY 22 -15.114 -9.508 -3.215 169 H THR 23 H THR 23 -13.546 -7.866 -4.422 170 HA THR 23 HA THR 23 -14.409 -5.139 -3.709 171 HB THR 23 HB THR 23 -12.521 -4.356 -5.140 172 HG1 THR 23 HG1 THR 23 -11.951 -7.153 -5.209 173 HG21 THR 23 HG21 THR 23 -10.755 -4.861 -3.535 174 HG22 THR 23 HG22 THR 23 -11.722 -6.179 -2.872 175 HG23 THR 23 HG23 THR 23 -12.275 -4.512 -2.711 176 H LYS 24 H LYS 24 -15.246 -3.779 -5.284 177 HA LYS 24 HA LYS 24 -15.861 -5.060 -7.865 178 HB2 LYS 24 HB2 LYS 24 -17.756 -3.679 -8.110 179 HB3 LYS 24 HB3 LYS 24 -17.801 -4.193 -6.430 180 HG2 LYS 24 HG2 LYS 24 -17.125 -2.083 -5.654 181 HG3 LYS 24 HG3 LYS 24 -16.585 -1.577 -7.256 182 HD2 LYS 24 HD2 LYS 24 -18.988 -1.770 -7.996 183 HD3 LYS 24 HD3 LYS 24 -19.412 -1.964 -6.297 184 HE2 LYS 24 HE2 LYS 24 -18.455 0.206 -5.783 185 HE3 LYS 24 HE3 LYS 24 -17.934 0.396 -7.456 186 HZ1 LYS 24 HZ1 LYS 24 -20.714 0.358 -6.416 187 HZ2 LYS 24 HZ2 LYS 24 -20.350 0.219 -8.062 188 HZ3 LYS 24 HZ3 LYS 24 -19.916 1.625 -7.222 189 H CYS 25 H CYS 25 -15.230 -4.058 -9.742 190 HA CYS 25 HA CYS 25 -13.895 -1.459 -9.479 191 HB2 CYS 25 HB2 CYS 25 -12.234 -2.280 -11.218 192 HB3 CYS 25 HB3 CYS 25 -12.068 -2.977 -9.610 193 HG CYS 25 HG CYS 25 -11.966 -4.623 -12.248 194 H VAL 26 H VAL 26 -16.237 -1.082 -10.134 195 HA VAL 26 HA VAL 26 -16.631 -1.486 -13.021 196 HB VAL 26 HB VAL 26 -18.411 -2.411 -11.598 197 HG11 VAL 26 HG11 VAL 26 -19.890 -0.902 -10.329 198 HG12 VAL 26 HG12 VAL 26 -18.781 0.429 -10.661 199 HG13 VAL 26 HG13 VAL 26 -18.247 -0.944 -9.690 200 HG21 VAL 26 HG21 VAL 26 -19.302 0.003 -13.171 201 HG22 VAL 26 HG22 VAL 26 -20.333 -1.343 -12.682 202 HG23 VAL 26 HG23 VAL 26 -19.008 -1.611 -13.816 203 H ILE 27 H ILE 27 -17.054 0.266 -14.361 204 HA ILE 27 HA ILE 27 -16.130 2.800 -13.382 205 HB ILE 27 HB ILE 27 -17.205 1.969 -16.070 206 HG12 ILE 27 HG12 ILE 27 -14.455 2.781 -15.100 207 HG13 ILE 27 HG13 ILE 27 -14.970 1.140 -15.479 208 HG21 ILE 27 HG21 ILE 27 -17.821 4.299 -15.625 209 HG22 ILE 27 HG22 ILE 27 -16.587 4.186 -16.882 210 HG23 ILE 27 HG23 ILE 27 -16.139 4.671 -15.246 211 HD11 ILE 27 HD11 ILE 27 -14.757 3.426 -17.419 212 HD12 ILE 27 HD12 ILE 27 -15.296 1.793 -17.809 213 HD13 ILE 27 HD13 ILE 27 -13.639 2.070 -17.271 214 H GLU 28 H GLU 28 -17.247 4.338 -12.542 215 HA GLU 28 HA GLU 28 -20.152 4.416 -12.971 216 HB2 GLU 28 HB2 GLU 28 -18.583 5.298 -10.543 217 HB3 GLU 28 HB3 GLU 28 -20.324 5.470 -10.739 218 HG2 GLU 28 HG2 GLU 28 -20.416 2.967 -11.004 219 HG3 GLU 28 HG3 GLU 28 -18.734 2.933 -10.488 220 H GLU 29 H GLU 29 -20.334 5.851 -14.560 221 HA GLU 29 HA GLU 29 -18.478 8.027 -14.844 222 HB2 GLU 29 HB2 GLU 29 -19.714 8.561 -16.880 223 HB3 GLU 29 HB3 GLU 29 -19.318 6.852 -16.819 224 HG2 GLU 29 HG2 GLU 29 -21.991 7.852 -15.917 225 HG3 GLU 29 HG3 GLU 29 -21.651 7.552 -17.618 226 H VAL 30 H VAL 30 -19.166 10.250 -15.138 227 HA VAL 30 HA VAL 30 -21.523 10.928 -13.513 228 HB VAL 30 HB VAL 30 -18.945 12.502 -13.734 229 HG11 VAL 30 HG11 VAL 30 -21.448 13.077 -12.153 230 HG12 VAL 30 HG12 VAL 30 -20.881 13.968 -13.565 231 HG13 VAL 30 HG13 VAL 30 -19.946 13.996 -12.070 232 HG21 VAL 30 HG21 VAL 30 -18.685 10.555 -12.315 233 HG22 VAL 30 HG22 VAL 30 -20.143 10.982 -11.421 234 HG23 VAL 30 HG23 VAL 30 -18.717 12.018 -11.329 235 H LYS 31 H LYS 31 -23.058 11.613 -14.800 236 HA LYS 31 HA LYS 31 -22.820 12.212 -17.483 237 HB2 LYS 31 HB2 LYS 31 -24.889 12.233 -15.523 238 HB3 LYS 31 HB3 LYS 31 -25.016 13.704 -16.477 239 HG2 LYS 31 HG2 LYS 31 -24.879 10.924 -17.628 240 HG3 LYS 31 HG3 LYS 31 -26.367 11.835 -17.361 241 HD2 LYS 31 HD2 LYS 31 -25.486 13.610 -18.854 242 HD3 LYS 31 HD3 LYS 31 -24.083 12.592 -19.182 243 HE2 LYS 31 HE2 LYS 31 -26.921 11.721 -19.683 244 HE3 LYS 31 HE3 LYS 31 -25.923 12.508 -20.901 245 HZ1 LYS 31 HZ1 LYS 31 -24.419 10.710 -20.905 246 HZ2 LYS 31 HZ2 LYS 31 -25.971 10.027 -20.988 247 HZ3 LYS 31 HZ3 LYS 31 -25.115 10.005 -19.524 248 H SER 32 H SER 32 -21.522 13.688 -18.284 249 HA SER 32 HA SER 32 -21.061 16.220 -17.007 250 HB2 SER 32 HB2 SER 32 -20.215 15.283 -19.758 251 HB3 SER 32 HB3 SER 32 -19.507 16.600 -18.821 252 HG SER 32 HG SER 32 -19.554 14.261 -17.427 253 H SER 33 H SER 33 -22.244 18.001 -17.307 254 HA SER 33 HA SER 33 -24.435 17.870 -19.202 255 HB2 SER 33 HB2 SER 33 -24.734 18.602 -16.801 256 HB3 SER 33 HB3 SER 33 -23.837 20.064 -17.207 257 HG SER 33 HG SER 33 -26.437 19.415 -17.712 258 H HIS 34 H HIS 34 -23.431 18.145 -21.175 259 HA HIS 34 HA HIS 34 -23.207 20.863 -21.994 260 HB2 HIS 34 HB2 HIS 34 -20.932 20.841 -22.841 261 HB3 HIS 34 HB3 HIS 34 -20.906 20.516 -21.115 262 HD1 HIS 34 HD1 HIS 34 -19.541 18.508 -20.415 263 HD2 HIS 34 HD2 HIS 34 -20.590 18.418 -24.443 264 HE1 HIS 34 HE1 HIS 34 -18.340 16.526 -21.426 265 H LYS 35 H LYS 35 -22.579 20.884 -24.435 266 HA LYS 35 HA LYS 35 -23.907 18.601 -25.699 267 HB2 LYS 35 HB2 LYS 35 -23.250 21.356 -26.757 268 HB3 LYS 35 HB3 LYS 35 -23.952 20.074 -27.731 269 HG2 LYS 35 HG2 LYS 35 -25.880 20.024 -26.154 270 HG3 LYS 35 HG3 LYS 35 -25.189 21.440 -25.357 271 HD2 LYS 35 HD2 LYS 35 -25.312 22.693 -27.443 272 HD3 LYS 35 HD3 LYS 35 -25.965 21.276 -28.268 273 HE2 LYS 35 HE2 LYS 35 -27.762 22.786 -27.720 274 HE3 LYS 35 HE3 LYS 35 -27.903 21.327 -26.742 275 HZ1 LYS 35 HZ1 LYS 35 -26.947 22.496 -24.878 276 HZ2 LYS 35 HZ2 LYS 35 -28.286 23.357 -25.455 277 HZ3 LYS 35 HZ3 LYS 35 -26.718 23.891 -25.813 278 H THR 36 H THR 36 -22.503 17.020 -26.145 279 HA THR 36 HA THR 36 -19.804 17.579 -26.975 280 HB THR 36 HB THR 36 -20.361 15.548 -25.668 281 HG1 THR 36 HG1 THR 36 -18.701 14.628 -26.598 282 HG21 THR 36 HG21 THR 36 -21.437 13.643 -26.774 283 HG22 THR 36 HG22 THR 36 -21.738 14.640 -28.197 284 HG23 THR 36 HG23 THR 36 -22.526 15.027 -26.668 285 H LEU 37 H LEU 37 -18.977 16.628 -29.076 286 HA LEU 37 HA LEU 37 -20.688 17.772 -31.129 287 HB2 LEU 37 HB2 LEU 37 -17.770 17.131 -30.977 288 HB3 LEU 37 HB3 LEU 37 -18.528 17.440 -32.525 289 HG LEU 37 HG LEU 37 -17.512 19.472 -31.799 290 HD11 LEU 37 HD11 LEU 37 -19.693 19.691 -32.873 291 HD12 LEU 37 HD12 LEU 37 -19.407 20.986 -31.712 292 HD13 LEU 37 HD13 LEU 37 -20.477 19.648 -31.294 293 HD21 LEU 37 HD21 LEU 37 -17.297 19.000 -29.427 294 HD22 LEU 37 HD22 LEU 37 -19.040 19.159 -29.217 295 HD23 LEU 37 HD23 LEU 37 -18.077 20.564 -29.674 296 H LEU 38 H LEU 38 -20.844 14.868 -29.987 297 HA LEU 38 HA LEU 38 -21.398 13.781 -32.631 298 HB2 LEU 38 HB2 LEU 38 -20.286 11.747 -32.377 299 HB3 LEU 38 HB3 LEU 38 -19.128 12.949 -31.859 300 HG LEU 38 HG LEU 38 -20.681 11.045 -30.089 301 HD11 LEU 38 HD11 LEU 38 -18.458 10.217 -29.534 302 HD12 LEU 38 HD12 LEU 38 -17.757 11.326 -30.714 303 HD13 LEU 38 HD13 LEU 38 -18.834 10.034 -31.247 304 HD21 LEU 38 HD21 LEU 38 -20.408 13.329 -29.106 305 HD22 LEU 38 HD22 LEU 38 -18.662 13.077 -29.190 306 HD23 LEU 38 HD23 LEU 38 -19.668 12.012 -28.205 307 H ASN 39 H ASN 39 -22.477 11.546 -32.317 308 HA ASN 39 HA ASN 39 -25.010 11.823 -31.349 309 HB2 ASN 39 HB2 ASN 39 -24.000 10.005 -32.821 310 HB3 ASN 39 HB3 ASN 39 -23.492 9.225 -31.317 311 HD21 ASN 39 HD21 ASN 39 -25.009 8.212 -30.046 312 HD22 ASN 39 HD22 ASN 39 -26.637 7.937 -30.568 313 H THR 40 H THR 40 -22.841 9.521 -29.821 314 HA THR 40 HA THR 40 -24.035 10.121 -27.195 315 HB THR 40 HB THR 40 -22.385 7.692 -27.893 316 HG1 THR 40 HG1 THR 40 -25.235 7.785 -28.038 317 HG21 THR 40 HG21 THR 40 -23.659 6.672 -26.076 318 HG22 THR 40 HG22 THR 40 -24.567 8.170 -25.865 319 HG23 THR 40 HG23 THR 40 -22.836 8.130 -25.530 320 H GLU 41 H GLU 41 -22.637 10.578 -25.456 321 HA GLU 41 HA GLU 41 -20.246 11.878 -26.018 322 HB2 GLU 41 HB2 GLU 41 -19.780 11.687 -23.570 323 HB3 GLU 41 HB3 GLU 41 -21.346 12.373 -23.978 324 HG2 GLU 41 HG2 GLU 41 -21.218 9.461 -23.517 325 HG3 GLU 41 HG3 GLU 41 -21.016 10.519 -22.128 326 H LEU 42 H LEU 42 -18.776 10.853 -27.171 327 HA LEU 42 HA LEU 42 -18.040 8.278 -27.338 328 HB2 LEU 42 HB2 LEU 42 -17.134 10.092 -28.723 329 HB3 LEU 42 HB3 LEU 42 -16.142 10.622 -27.378 330 HG LEU 42 HG LEU 42 -14.969 8.417 -27.446 331 HD11 LEU 42 HD11 LEU 42 -15.216 7.029 -29.437 332 HD12 LEU 42 HD12 LEU 42 -16.521 8.069 -30.006 333 HD13 LEU 42 HD13 LEU 42 -16.728 7.122 -28.533 334 HD21 LEU 42 HD21 LEU 42 -13.628 8.944 -29.401 335 HD22 LEU 42 HD22 LEU 42 -14.036 10.411 -28.511 336 HD23 LEU 42 HD23 LEU 42 -14.894 10.015 -30.000 337 H HIS 43 H HIS 43 -16.534 10.616 -25.123 338 HA HIS 43 HA HIS 43 -16.167 8.541 -23.140 339 HB2 HIS 43 HB2 HIS 43 -14.113 8.557 -24.688 340 HB3 HIS 43 HB3 HIS 43 -13.751 10.135 -23.998 341 HD1 HIS 43 HD1 HIS 43 -13.143 6.597 -23.471 342 HD2 HIS 43 HD2 HIS 43 -13.404 9.990 -21.076 343 HE1 HIS 43 HE1 HIS 43 -12.013 6.016 -21.284 344 H LEU 44 H LEU 44 -17.505 9.689 -21.800 345 HA LEU 44 HA LEU 44 -17.045 12.518 -21.358 346 HB2 LEU 44 HB2 LEU 44 -19.074 12.582 -20.196 347 HB3 LEU 44 HB3 LEU 44 -19.350 11.485 -21.532 348 HG LEU 44 HG LEU 44 -18.721 10.552 -18.733 349 HD11 LEU 44 HD11 LEU 44 -21.395 10.921 -20.068 350 HD12 LEU 44 HD12 LEU 44 -20.764 11.854 -18.712 351 HD13 LEU 44 HD13 LEU 44 -21.123 10.138 -18.510 352 HD21 LEU 44 HD21 LEU 44 -19.764 8.452 -19.557 353 HD22 LEU 44 HD22 LEU 44 -18.265 8.867 -20.383 354 HD23 LEU 44 HD23 LEU 44 -19.815 9.156 -21.174 355 H THR 45 H THR 45 -17.434 13.078 -18.846 356 HA THR 45 HA THR 45 -15.102 12.252 -17.487 357 HB THR 45 HB THR 45 -17.501 13.430 -16.104 358 HG1 THR 45 HG1 THR 45 -17.336 14.880 -17.711 359 HG21 THR 45 HG21 THR 45 -15.606 12.849 -14.699 360 HG22 THR 45 HG22 THR 45 -15.762 14.602 -14.805 361 HG23 THR 45 HG23 THR 45 -14.522 13.769 -15.742 362 H LYS 46 H LYS 46 -14.837 10.234 -16.841 363 HA LYS 46 HA LYS 46 -17.043 8.950 -15.398 364 HB2 LYS 46 HB2 LYS 46 -17.014 7.122 -16.700 365 HB3 LYS 46 HB3 LYS 46 -16.156 8.126 -17.857 366 HG2 LYS 46 HG2 LYS 46 -14.730 6.499 -15.778 367 HG3 LYS 46 HG3 LYS 46 -15.185 5.844 -17.349 368 HD2 LYS 46 HD2 LYS 46 -13.734 7.271 -18.494 369 HD3 LYS 46 HD3 LYS 46 -13.600 8.381 -17.123 370 HE2 LYS 46 HE2 LYS 46 -12.235 6.913 -15.925 371 HE3 LYS 46 HE3 LYS 46 -12.655 5.544 -16.951 372 HZ1 LYS 46 HZ1 LYS 46 -11.357 6.391 -18.706 373 HZ2 LYS 46 HZ2 LYS 46 -10.390 6.521 -17.319 374 HZ3 LYS 46 HZ3 LYS 46 -11.151 7.899 -17.955 375 H TYR 47 H TYR 47 -16.422 7.477 -13.749 376 HA TYR 47 HA TYR 47 -13.644 7.780 -12.867 377 HB2 TYR 47 HB2 TYR 47 -16.120 8.067 -11.150 378 HB3 TYR 47 HB3 TYR 47 -14.480 7.976 -10.524 379 HD1 TYR 47 HD2 TYR 47 -16.782 10.038 -12.572 380 HD2 TYR 47 HD1 TYR 47 -13.099 9.897 -10.446 381 HE1 TYR 47 HE2 TYR 47 -16.568 12.472 -12.791 382 HE2 TYR 47 HE1 TYR 47 -12.880 12.338 -10.658 383 HH TYR 47 HH TYR 47 -15.472 14.323 -11.783 384 H TYR 48 H TYR 48 -12.784 6.032 -11.791 385 HA TYR 48 HA TYR 48 -14.088 3.509 -12.232 386 HB2 TYR 48 HB2 TYR 48 -11.464 4.282 -10.958 387 HB3 TYR 48 HB3 TYR 48 -12.051 2.624 -10.953 388 HD1 TYR 48 HD2 TYR 48 -13.025 4.356 -13.917 389 HD2 TYR 48 HD1 TYR 48 -9.778 2.291 -12.103 390 HE1 TYR 48 HE2 TYR 48 -12.026 3.991 -16.130 391 HE2 TYR 48 HE1 TYR 48 -8.773 1.918 -14.311 392 HH TYR 48 HH TYR 48 -9.336 1.871 -16.605 393 H GLY 49 H GLY 49 -15.641 2.833 -10.947 394 HA2 GLY 49 HA2 GLY 49 -15.888 3.790 -8.231 395 HA3 GLY 49 HA3 GLY 49 -16.997 2.716 -9.077 396 H PHE 50 H PHE 50 -13.873 2.882 -7.467 397 HA PHE 50 HA PHE 50 -13.790 0.012 -7.095 398 HB2 PHE 50 HB2 PHE 50 -11.979 2.288 -6.530 399 HB3 PHE 50 HB3 PHE 50 -11.874 0.919 -5.429 400 HD1 PHE 50 HD2 PHE 50 -11.542 -1.385 -6.452 401 HD2 PHE 50 HD1 PHE 50 -10.864 2.233 -8.580 402 HE1 PHE 50 HE2 PHE 50 -10.118 -2.593 -8.047 403 HE2 PHE 50 HE1 PHE 50 -9.446 1.038 -10.167 404 HZ PHE 50 HZ PHE 50 -9.047 -1.369 -9.895 405 H SER 51 H SER 51 -14.510 -1.053 -5.370 406 HA SER 51 HA SER 51 -15.024 0.280 -2.869 407 HB2 SER 51 HB2 SER 51 -16.993 0.794 -4.442 408 HB3 SER 51 HB3 SER 51 -17.396 -0.914 -4.301 409 HG SER 51 HG SER 51 -16.937 0.371 -1.904 410 H PHE 52 H PHE 52 -15.413 -1.202 -1.183 411 HA PHE 52 HA PHE 52 -14.916 -3.991 -1.941 412 HB2 PHE 52 HB2 PHE 52 -13.319 -2.878 -0.316 413 HB3 PHE 52 HB3 PHE 52 -14.654 -2.828 0.835 414 HD1 PHE 52 HD2 PHE 52 -15.586 -4.909 1.751 415 HD2 PHE 52 HD1 PHE 52 -12.217 -4.930 -0.850 416 HE1 PHE 52 HE2 PHE 52 -15.103 -7.229 2.400 417 HE2 PHE 52 HE1 PHE 52 -11.733 -7.256 -0.208 418 HZ PHE 52 HZ PHE 52 -13.180 -8.404 1.418 419 H PHE 53 H PHE 53 -16.474 -5.369 -1.820 420 HA PHE 53 HA PHE 53 -18.997 -4.612 -0.576 421 HB2 PHE 53 HB2 PHE 53 -18.186 -6.299 -2.826 422 HB3 PHE 53 HB3 PHE 53 -19.420 -7.036 -1.808 423 HD1 PHE 53 HD1 PHE 53 -21.596 -6.047 -1.584 424 HD2 PHE 53 HD2 PHE 53 -18.654 -4.313 -4.119 425 HE1 PHE 53 HE1 PHE 53 -23.339 -4.685 -2.669 426 HE2 PHE 53 HE2 PHE 53 -20.389 -2.949 -5.205 427 HZ PHE 53 HZ PHE 53 -22.734 -3.129 -4.476 428 H ARG 54 H ARG 54 -19.915 -5.671 1.040 429 HA ARG 54 HA ARG 54 -18.677 -8.107 2.108 430 HB2 ARG 54 HB2 ARG 54 -17.642 -6.443 3.435 431 HB3 ARG 54 HB3 ARG 54 -19.121 -5.505 3.554 432 HG2 ARG 54 HG2 ARG 54 -18.629 -6.561 5.657 433 HG3 ARG 54 HG3 ARG 54 -20.101 -7.243 4.970 434 HD2 ARG 54 HD2 ARG 54 -18.986 -9.227 4.320 435 HD3 ARG 54 HD3 ARG 54 -17.400 -8.522 4.649 436 HE ARG 54 HE ARG 54 -19.302 -9.542 6.607 437 HH11 ARG 54 1HH1 ARG 54 -16.375 -7.811 5.940 438 HH12 ARG 54 2HH1 ARG 54 -15.727 -7.972 7.542 439 HH21 ARG 54 1HH2 ARG 54 -18.465 -9.779 8.778 440 HH22 ARG 54 2HH2 ARG 54 -16.910 -9.116 9.149 441 H HIS 55 H HIS 55 -20.385 -9.459 1.789 442 HA HIS 55 HA HIS 55 -22.438 -10.407 1.994 443 HB2 HIS 55 HB2 HIS 55 -22.406 -8.508 4.284 444 HB3 HIS 55 HB3 HIS 55 -23.955 -9.205 3.824 445 HD1 HIS 55 HD1 HIS 55 -24.468 -11.438 4.793 446 HD2 HIS 55 HD2 HIS 55 -20.391 -10.593 4.836 447 HE1 HIS 55 HE1 HIS 55 -23.368 -13.295 6.112 448 H GLY 56 H GLY 56 -21.960 -8.115 0.186 449 HA2 GLY 56 HA2 GLY 56 -23.349 -7.167 -1.437 450 HA3 GLY 56 HA3 GLY 56 -24.746 -7.578 -0.451 451 H ASN 57 H ASN 57 -22.560 -6.143 1.545 452 HA ASN 57 HA ASN 57 -23.805 -3.500 1.191 453 HB2 ASN 57 HB2 ASN 57 -22.240 -4.403 3.610 454 HB3 ASN 57 HB3 ASN 57 -23.339 -3.035 3.482 455 HD21 ASN 57 HD21 ASN 57 -22.990 -6.363 4.063 456 HD22 ASN 57 HD22 ASN 57 -24.656 -6.716 4.426 457 H ILE 58 H ILE 58 -22.216 -1.726 2.084 458 HA ILE 58 HA ILE 58 -19.679 -2.144 0.652 459 HB ILE 58 HB ILE 58 -21.321 0.362 0.969 460 HG12 ILE 58 HG12 ILE 58 -21.943 -1.258 -0.806 461 HG13 ILE 58 HG13 ILE 58 -21.418 0.293 -1.457 462 HG21 ILE 58 HG21 ILE 58 -18.527 0.088 -0.145 463 HG22 ILE 58 HG22 ILE 58 -18.998 0.976 1.304 464 HG23 ILE 58 HG23 ILE 58 -19.539 1.527 -0.281 465 HD11 ILE 58 HD11 ILE 58 -19.691 -2.163 -1.255 466 HD12 ILE 58 HD12 ILE 58 -19.280 -0.639 -2.044 467 HD13 ILE 58 HD13 ILE 58 -20.561 -1.657 -2.703 468 H VAL 59 H VAL 59 -17.967 -2.230 1.847 469 HA VAL 59 HA VAL 59 -17.951 -0.960 4.498 470 HB VAL 59 HB VAL 59 -16.136 -3.056 3.290 471 HG11 VAL 59 HG11 VAL 59 -15.071 -3.138 5.554 472 HG12 VAL 59 HG12 VAL 59 -15.912 -1.635 5.939 473 HG13 VAL 59 HG13 VAL 59 -14.725 -1.671 4.633 474 HG21 VAL 59 HG21 VAL 59 -18.263 -3.935 4.039 475 HG22 VAL 59 HG22 VAL 59 -18.076 -3.134 5.599 476 HG23 VAL 59 HG23 VAL 59 -16.986 -4.447 5.146 477 H ALA 60 H ALA 60 -16.180 -1.099 1.444 478 HA ALA 60 HA ALA 60 -14.831 1.414 2.221 479 HB1 ALA 60 1HB ALA 60 -13.212 -0.415 2.326 480 HB2 ALA 60 HB2 ALA 60 -12.834 0.698 1.008 481 HB3 ALA 60 HB3 ALA 60 -13.596 -0.856 0.660 482 H TYR 61 H TYR 61 -14.732 2.982 0.641 483 HA TYR 61 HA TYR 61 -15.432 2.235 -2.087 484 HB2 TYR 61 HB2 TYR 61 -17.544 2.973 -0.954 485 HB3 TYR 61 HB3 TYR 61 -16.794 4.543 -0.683 486 HD1 TYR 61 HD1 TYR 61 -17.554 2.158 -3.433 487 HD2 TYR 61 HD2 TYR 61 -17.114 6.221 -2.274 488 HE1 TYR 61 HE1 TYR 61 -18.283 2.856 -5.669 489 HE2 TYR 61 HE2 TYR 61 -17.843 6.941 -4.512 490 HH TYR 61 HH TYR 61 -18.996 4.615 -6.914 491 H GLY 62 H GLY 62 -14.314 3.324 -3.586 492 HA2 GLY 62 HA2 GLY 62 -13.076 5.881 -2.930 493 HA3 GLY 62 HA3 GLY 62 -11.988 4.552 -3.319 494 H LYS 63 H LYS 63 -14.120 6.934 -4.550 495 HA LYS 63 HA LYS 63 -14.024 5.775 -7.234 496 HB2 LYS 63 HB2 LYS 63 -16.200 6.507 -6.363 497 HB3 LYS 63 HB3 LYS 63 -15.572 8.137 -6.166 498 HG2 LYS 63 HG2 LYS 63 -15.310 8.373 -8.543 499 HG3 LYS 63 HG3 LYS 63 -15.782 6.690 -8.794 500 HD2 LYS 63 HD2 LYS 63 -17.684 8.037 -9.257 501 HD3 LYS 63 HD3 LYS 63 -17.959 7.231 -7.711 502 HE2 LYS 63 HE2 LYS 63 -17.134 9.315 -6.587 503 HE3 LYS 63 HE3 LYS 63 -17.148 10.093 -8.170 504 HZ1 LYS 63 HZ1 LYS 63 -19.555 9.439 -8.295 505 HZ2 LYS 63 HZ2 LYS 63 -19.182 10.625 -7.142 506 HZ3 LYS 63 HZ3 LYS 63 -19.457 9.028 -6.650 507 H SER 64 H SER 64 -12.507 6.415 -8.592 508 HA SER 64 HA SER 64 -11.801 9.218 -8.805 509 HB2 SER 64 HB2 SER 64 -9.663 7.137 -8.254 510 HB3 SER 64 HB3 SER 64 -9.378 8.835 -8.631 511 HG SER 64 HG SER 64 -11.091 8.676 -6.587 512 H ARG 65 H ARG 65 -10.648 9.691 -10.807 513 HA ARG 65 HA ARG 65 -11.336 7.849 -12.911 514 HB2 ARG 65 HB2 ARG 65 -11.403 10.379 -13.119 515 HB3 ARG 65 HB3 ARG 65 -9.645 10.340 -13.169 516 HG2 ARG 65 HG2 ARG 65 -9.687 9.019 -15.185 517 HG3 ARG 65 HG3 ARG 65 -11.444 8.905 -15.111 518 HD2 ARG 65 HD2 ARG 65 -10.982 10.577 -16.701 519 HD3 ARG 65 HD3 ARG 65 -11.483 11.428 -15.241 520 HE ARG 65 HE ARG 65 -8.913 11.589 -14.886 521 HH11 ARG 65 1HH1 ARG 65 -10.615 11.752 -17.937 522 HH12 ARG 65 2HH1 ARG 65 -9.445 12.788 -18.699 523 HH21 ARG 65 1HH2 ARG 65 -7.354 12.972 -15.872 524 HH22 ARG 65 2HH2 ARG 65 -7.598 13.488 -17.511 525 H LYS 66 H LYS 66 -8.667 8.389 -10.874 526 HA LYS 66 HA LYS 66 -6.845 6.862 -12.570 527 HB2 LYS 66 HB2 LYS 66 -6.453 8.010 -9.798 528 HB3 LYS 66 HB3 LYS 66 -5.215 7.213 -10.753 529 HG2 LYS 66 HG2 LYS 66 -5.440 8.993 -12.451 530 HG3 LYS 66 HG3 LYS 66 -6.582 9.813 -11.384 531 HD2 LYS 66 HD2 LYS 66 -4.392 10.780 -11.090 532 HD3 LYS 66 HD3 LYS 66 -4.830 9.882 -9.634 533 HE2 LYS 66 HE2 LYS 66 -3.505 7.963 -10.499 534 HE3 LYS 66 HE3 LYS 66 -2.985 8.980 -11.842 535 HZ1 LYS 66 HZ1 LYS 66 -2.471 9.493 -8.962 536 HZ2 LYS 66 HZ2 LYS 66 -1.990 10.506 -10.234 537 HZ3 LYS 66 HZ3 LYS 66 -1.331 8.949 -10.093 538 H VAL 67 H VAL 67 -6.809 4.726 -12.460 539 HA VAL 67 HA VAL 67 -8.411 3.190 -10.766 540 HB VAL 67 HB VAL 67 -7.521 2.376 -12.914 541 HG11 VAL 67 HG11 VAL 67 -5.231 1.514 -13.059 542 HG12 VAL 67 HG12 VAL 67 -4.891 2.194 -11.467 543 HG13 VAL 67 HG13 VAL 67 -5.282 3.259 -12.817 544 HG21 VAL 67 HG21 VAL 67 -6.947 0.709 -10.483 545 HG22 VAL 67 HG22 VAL 67 -6.783 0.083 -12.122 546 HG23 VAL 67 HG23 VAL 67 -8.348 0.655 -11.553 547 H ALA 68 H ALA 68 -5.072 4.252 -10.412 548 HA ALA 68 HA ALA 68 -4.507 2.547 -8.177 549 HB1 ALA 68 1HB ALA 68 -3.015 4.977 -9.145 550 HB2 ALA 68 HB2 ALA 68 -2.757 3.325 -9.708 551 HB3 ALA 68 HB3 ALA 68 -2.416 3.749 -8.031 552 H ASN 69 H ASN 69 -5.842 5.727 -8.575 553 HA ASN 69 HA ASN 69 -5.374 6.506 -5.826 554 HB2 ASN 69 HB2 ASN 69 -5.534 8.134 -7.789 555 HB3 ASN 69 HB3 ASN 69 -7.269 7.846 -7.756 556 HD21 ASN 69 HD21 ASN 69 -8.502 8.704 -6.093 557 HD22 ASN 69 HD22 ASN 69 -7.859 9.840 -4.951 558 H ALA 70 H ALA 70 -8.080 5.516 -7.841 559 HA ALA 70 HA ALA 70 -10.139 5.632 -5.970 560 HB1 ALA 70 1HB ALA 70 -9.746 3.701 -8.260 561 HB2 ALA 70 HB2 ALA 70 -10.510 5.290 -8.357 562 HB3 ALA 70 HB3 ALA 70 -11.272 4.000 -7.426 563 H LYS 71 H LYS 71 -8.119 2.874 -6.892 564 HA LYS 71 HA LYS 71 -8.930 1.019 -5.010 565 HB2 LYS 71 HB2 LYS 71 -6.544 1.498 -6.660 566 HB3 LYS 71 HB3 LYS 71 -6.258 0.522 -5.239 567 HG2 LYS 71 HG2 LYS 71 -7.409 -1.227 -6.014 568 HG3 LYS 71 HG3 LYS 71 -8.579 -0.219 -6.870 569 HD2 LYS 71 HD2 LYS 71 -7.041 -1.570 -8.334 570 HD3 LYS 71 HD3 LYS 71 -7.075 0.162 -8.664 571 HE2 LYS 71 HE2 LYS 71 -4.819 -0.291 -8.702 572 HE3 LYS 71 HE3 LYS 71 -5.061 0.252 -7.042 573 HZ1 LYS 71 HZ1 LYS 71 -4.704 -2.519 -8.027 574 HZ2 LYS 71 HZ2 LYS 71 -5.304 -2.192 -6.478 575 HZ3 LYS 71 HZ3 LYS 71 -3.745 -1.683 -6.909 576 H TYR 72 H TYR 72 -6.511 3.574 -4.735 577 HA TYR 72 HA TYR 72 -5.371 2.868 -2.307 578 HB2 TYR 72 HB2 TYR 72 -4.251 4.516 -3.548 579 HB3 TYR 72 HB3 TYR 72 -5.707 5.483 -3.753 580 HD1 TYR 72 HD2 TYR 72 -3.231 4.390 -1.190 581 HD2 TYR 72 HD1 TYR 72 -6.155 7.267 -2.328 582 HE1 TYR 72 HE2 TYR 72 -2.579 5.800 0.717 583 HE2 TYR 72 HE1 TYR 72 -5.509 8.683 -0.423 584 HH TYR 72 HH TYR 72 -4.433 8.462 1.758 585 H ILE 73 H ILE 73 -8.105 5.017 -2.946 586 HA ILE 73 HA ILE 73 -8.533 5.914 -0.334 587 HB ILE 73 HB ILE 73 -10.554 5.539 -2.547 588 HG12 ILE 73 HG12 ILE 73 -9.177 8.103 -1.789 589 HG13 ILE 73 HG13 ILE 73 -8.427 6.971 -2.911 590 HG21 ILE 73 HG21 ILE 73 -10.660 7.225 -0.049 591 HG22 ILE 73 HG22 ILE 73 -11.658 5.815 -0.412 592 HG23 ILE 73 HG23 ILE 73 -11.830 7.289 -1.368 593 HD11 ILE 73 HD11 ILE 73 -9.600 8.695 -4.110 594 HD12 ILE 73 HD12 ILE 73 -11.094 8.311 -3.250 595 HD13 ILE 73 HD13 ILE 73 -10.385 7.136 -4.361 596 H MET 74 H MET 74 -10.223 3.303 -2.095 597 HA MET 74 HA MET 74 -11.827 2.544 0.082 598 HB2 MET 74 HB2 MET 74 -12.293 0.494 -1.153 599 HB3 MET 74 HB3 MET 74 -12.345 1.884 -2.229 600 HG2 MET 74 HG2 MET 74 -10.349 1.305 -3.260 601 HG3 MET 74 HG3 MET 74 -9.876 0.230 -1.947 602 HE1 MET 74 HE1 MET 74 -9.191 -1.438 -3.985 603 HE2 MET 74 HE2 MET 74 -10.258 -2.840 -3.866 604 HE3 MET 74 HE3 MET 74 -9.677 -2.045 -2.399 605 H LYS 75 H LYS 75 -8.616 1.471 -0.955 606 HA LYS 75 HA LYS 75 -8.316 -0.707 0.751 607 HB2 LYS 75 HB2 LYS 75 -6.318 1.241 -0.388 608 HB3 LYS 75 HB3 LYS 75 -5.821 -0.096 0.641 609 HG2 LYS 75 HG2 LYS 75 -6.505 -1.701 -0.919 610 HG3 LYS 75 HG3 LYS 75 -7.470 -0.532 -1.825 611 HD2 LYS 75 HD2 LYS 75 -5.427 0.634 -2.490 612 HD3 LYS 75 HD3 LYS 75 -4.462 -0.538 -1.592 613 HE2 LYS 75 HE2 LYS 75 -6.352 -1.378 -3.763 614 HE3 LYS 75 HE3 LYS 75 -4.706 -0.859 -4.123 615 HZ1 LYS 75 HZ1 LYS 75 -4.889 -3.265 -3.906 616 HZ2 LYS 75 HZ2 LYS 75 -5.440 -3.107 -2.316 617 HZ3 LYS 75 HZ3 LYS 75 -3.864 -2.619 -2.724 618 H GLN 76 H GLN 76 -7.453 2.694 1.297 619 HA GLN 76 HA GLN 76 -6.431 2.351 3.892 620 HB2 GLN 76 HB2 GLN 76 -7.616 4.763 2.521 621 HB3 GLN 76 HB3 GLN 76 -6.822 4.830 4.086 622 HG2 GLN 76 HG2 GLN 76 -5.574 3.967 1.490 623 HG3 GLN 76 HG3 GLN 76 -5.299 5.492 2.331 624 HE21 GLN 76 HE21 GLN 76 -3.453 3.330 1.562 625 HE22 GLN 76 HE22 GLN 76 -2.664 2.854 3.022 626 H ARG 77 H ARG 77 -9.685 2.447 2.760 627 HA ARG 77 HA ARG 77 -10.967 3.225 5.156 628 HB2 ARG 77 HB2 ARG 77 -11.981 1.398 2.972 629 HB3 ARG 77 HB3 ARG 77 -12.969 2.159 4.210 630 HG2 ARG 77 HG2 ARG 77 -11.305 3.848 2.399 631 HG3 ARG 77 HG3 ARG 77 -12.830 3.178 1.823 632 HD2 ARG 77 HD2 ARG 77 -13.160 5.417 2.685 633 HD3 ARG 77 HD3 ARG 77 -13.996 4.241 3.694 634 HE ARG 77 HE ARG 77 -11.483 4.704 4.824 635 HH11 ARG 77 1HH1 ARG 77 -14.386 6.512 4.103 636 HH12 ARG 77 2HH1 ARG 77 -14.274 7.514 5.522 637 HH21 ARG 77 1HH2 ARG 77 -11.284 6.048 6.659 638 HH22 ARG 77 2HH2 ARG 77 -12.491 7.271 6.965 639 H LEU 78 H LEU 78 -10.765 -0.105 3.775 640 HA LEU 78 HA LEU 78 -11.420 -1.290 6.287 641 HB2 LEU 78 HB2 LEU 78 -9.882 -3.007 4.498 642 HB3 LEU 78 HB3 LEU 78 -11.462 -3.250 5.215 643 HG LEU 78 HG LEU 78 -12.144 -1.460 3.361 644 HD11 LEU 78 HD11 LEU 78 -10.922 -1.880 1.298 645 HD12 LEU 78 HD12 LEU 78 -9.787 -2.912 2.170 646 HD13 LEU 78 HD13 LEU 78 -9.865 -1.186 2.528 647 HD21 LEU 78 HD21 LEU 78 -12.731 -3.367 1.920 648 HD22 LEU 78 HD22 LEU 78 -13.151 -3.629 3.612 649 HD23 LEU 78 HD23 LEU 78 -11.724 -4.406 2.927 650 H LEU 79 H LEU 79 -8.432 -0.333 4.797 651 HA LEU 79 HA LEU 79 -6.561 -1.837 6.165 652 HB2 LEU 79 HB2 LEU 79 -6.111 -0.227 4.322 653 HB3 LEU 79 HB3 LEU 79 -6.361 1.092 5.442 654 HG LEU 79 HG LEU 79 -3.954 0.378 4.813 655 HD11 LEU 79 HD11 LEU 79 -3.135 1.014 7.025 656 HD12 LEU 79 HD12 LEU 79 -4.760 0.799 7.680 657 HD13 LEU 79 HD13 LEU 79 -4.451 2.050 6.473 658 HD21 LEU 79 HD21 LEU 79 -4.181 -1.994 5.224 659 HD22 LEU 79 HD22 LEU 79 -4.613 -1.688 6.906 660 HD23 LEU 79 HD23 LEU 79 -2.992 -1.301 6.330 661 H LYS 80 H LYS 80 -8.069 1.210 7.166 662 HA LYS 80 HA LYS 80 -6.747 1.246 9.694 663 HB2 LYS 80 HB2 LYS 80 -8.720 2.916 8.303 664 HB3 LYS 80 HB3 LYS 80 -8.936 2.856 10.047 665 HG2 LYS 80 HG2 LYS 80 -6.398 3.624 8.618 666 HG3 LYS 80 HG3 LYS 80 -7.538 4.736 9.377 667 HD2 LYS 80 HD2 LYS 80 -5.892 2.613 10.756 668 HD3 LYS 80 HD3 LYS 80 -5.662 4.359 10.861 669 HE2 LYS 80 HE2 LYS 80 -7.907 4.553 11.883 670 HE3 LYS 80 HE3 LYS 80 -8.050 2.797 11.843 671 HZ1 LYS 80 HZ1 LYS 80 -6.078 4.389 13.390 672 HZ2 LYS 80 HZ2 LYS 80 -6.039 2.700 13.263 673 HZ3 LYS 80 HZ3 LYS 80 -7.355 3.465 14.012 674 H LEU 81 H LEU 81 -9.671 -0.175 8.485 675 HA LEU 81 HA LEU 81 -10.959 -0.484 11.000 676 HB2 LEU 81 HB2 LEU 81 -11.350 -1.955 8.401 677 HB3 LEU 81 HB3 LEU 81 -12.390 -2.126 9.803 678 HG LEU 81 HG LEU 81 -11.966 0.421 8.237 679 HD11 LEU 81 HD11 LEU 81 -14.289 0.113 7.539 680 HD12 LEU 81 HD12 LEU 81 -14.337 -1.433 8.386 681 HD13 LEU 81 HD13 LEU 81 -13.268 -1.220 7.000 682 HD21 LEU 81 HD21 LEU 81 -13.777 1.317 9.618 683 HD22 LEU 81 HD22 LEU 81 -12.376 0.868 10.591 684 HD23 LEU 81 HD23 LEU 81 -13.795 -0.177 10.556 685 H LEU 82 H LEU 82 -8.750 -2.519 9.146 686 HA LEU 82 HA LEU 82 -8.961 -4.626 11.120 687 HB2 LEU 82 HB2 LEU 82 -7.162 -5.726 9.765 688 HB3 LEU 82 HB3 LEU 82 -8.667 -5.418 8.924 689 HG LEU 82 HG LEU 82 -7.200 -3.181 8.307 690 HD11 LEU 82 HD11 LEU 82 -5.143 -3.982 9.229 691 HD12 LEU 82 HD12 LEU 82 -5.030 -4.095 7.468 692 HD13 LEU 82 HD13 LEU 82 -5.331 -5.543 8.430 693 HD21 LEU 82 HD21 LEU 82 -8.548 -4.370 6.752 694 HD22 LEU 82 HD22 LEU 82 -7.508 -5.793 6.850 695 HD23 LEU 82 HD23 LEU 82 -6.907 -4.308 6.114 696 H GLU 83 H GLU 83 -6.836 -1.953 10.414 697 HA GLU 83 HA GLU 83 -4.735 -2.740 12.166 698 HB2 GLU 83 HB2 GLU 83 -5.579 -0.077 11.038 699 HB3 GLU 83 HB3 GLU 83 -4.211 -0.239 12.127 700 HG2 GLU 83 HG2 GLU 83 -4.466 -1.694 9.507 701 HG3 GLU 83 HG3 GLU 83 -3.624 -0.161 9.716 702 H ASP 84 H ASP 84 -7.649 -0.778 12.556 703 HA ASP 84 HA ASP 84 -7.018 -0.192 15.334 704 HB2 ASP 84 HB2 ASP 84 -8.155 1.381 13.581 705 HB3 ASP 84 HB3 ASP 84 -9.617 0.501 14.003 706 H LYS 85 H LYS 85 -8.594 -2.565 13.569 707 HA LYS 85 HA LYS 85 -9.793 -4.403 14.098 708 HB2 LYS 85 HB2 LYS 85 -9.223 -3.652 16.970 709 HB3 LYS 85 HB3 LYS 85 -9.793 -5.215 16.401 710 HG2 LYS 85 HG2 LYS 85 -7.158 -3.963 15.657 711 HG3 LYS 85 HG3 LYS 85 -7.385 -5.191 16.906 712 HD2 LYS 85 HD2 LYS 85 -8.055 -5.540 13.983 713 HD3 LYS 85 HD3 LYS 85 -6.583 -6.123 14.758 714 HE2 LYS 85 HE2 LYS 85 -8.030 -7.462 16.302 715 HE3 LYS 85 HE3 LYS 85 -9.415 -6.988 15.321 716 HZ1 LYS 85 HZ1 LYS 85 -8.488 -9.184 14.736 717 HZ2 LYS 85 HZ2 LYS 85 -7.043 -8.433 14.270 718 HZ3 LYS 85 HZ3 LYS 85 -8.479 -8.095 13.443 719 H SER 86 H SER 86 -11.228 -2.238 13.435 720 HA SER 86 HA SER 86 -13.393 -1.889 15.339 721 HB2 SER 86 HB2 SER 86 -13.018 -0.774 12.549 722 HB3 SER 86 HB3 SER 86 -14.252 -0.274 13.707 723 HG SER 86 HG SER 86 -12.065 -0.045 15.041 724 H ASN 87 H ASN 87 -15.480 -2.638 15.068 725 HA ASN 87 HA ASN 87 -15.626 -5.182 13.785 726 HB2 ASN 87 HB2 ASN 87 -17.853 -5.360 14.711 727 HB3 ASN 87 HB3 ASN 87 -16.771 -4.692 15.926 728 HD21 ASN 87 HD21 ASN 87 -17.070 -2.602 16.636 729 HD22 ASN 87 HD22 ASN 87 -18.470 -1.665 16.223 730 H LEU 88 H LEU 88 -15.993 -2.182 12.465 731 HA LEU 88 HA LEU 88 -18.347 -2.439 10.953 732 HB2 LEU 88 HB2 LEU 88 -15.855 -0.826 10.448 733 HB3 LEU 88 HB3 LEU 88 -17.292 -0.716 9.451 734 HG LEU 88 HG LEU 88 -17.488 1.084 10.893 735 HD11 LEU 88 HD11 LEU 88 -19.016 -1.162 12.195 736 HD12 LEU 88 HD12 LEU 88 -19.536 -0.215 10.798 737 HD13 LEU 88 HD13 LEU 88 -19.362 0.561 12.373 738 HD21 LEU 88 HD21 LEU 88 -16.668 -0.707 13.172 739 HD22 LEU 88 HD22 LEU 88 -17.119 0.993 13.311 740 HD23 LEU 88 HD23 LEU 88 -15.674 0.534 12.409 741 H LEU 89 H LEU 89 -15.088 -3.560 10.404 742 HA LEU 89 HA LEU 89 -16.046 -4.845 7.926 743 HB2 LEU 89 HB2 LEU 89 -14.245 -3.411 7.390 744 HB3 LEU 89 HB3 LEU 89 -13.301 -3.943 8.763 745 HG LEU 89 HG LEU 89 -13.494 -6.267 7.500 746 HD11 LEU 89 HD11 LEU 89 -14.874 -5.390 5.707 747 HD12 LEU 89 HD12 LEU 89 -13.332 -6.013 5.116 748 HD13 LEU 89 HD13 LEU 89 -13.583 -4.274 5.268 749 HD21 LEU 89 HD21 LEU 89 -11.545 -4.088 6.801 750 HD22 LEU 89 HD22 LEU 89 -11.290 -5.818 6.572 751 HD23 LEU 89 HD23 LEU 89 -11.454 -5.159 8.201 752 H LEU 90 H LEU 90 -15.354 -5.379 11.095 753 HA LEU 90 HA LEU 90 -14.426 -8.134 10.622 754 HB2 LEU 90 HB2 LEU 90 -13.886 -6.495 13.085 755 HB3 LEU 90 HB3 LEU 90 -13.110 -7.988 12.591 756 HG LEU 90 HG LEU 90 -12.853 -5.430 11.021 757 HD11 LEU 90 HD11 LEU 90 -11.984 -4.976 13.196 758 HD12 LEU 90 HD12 LEU 90 -10.636 -5.211 12.083 759 HD13 LEU 90 HD13 LEU 90 -11.084 -6.494 13.208 760 HD21 LEU 90 HD21 LEU 90 -12.347 -7.486 9.804 761 HD22 LEU 90 HD22 LEU 90 -11.199 -7.949 11.061 762 HD23 LEU 90 HD23 LEU 90 -10.897 -6.518 10.074 763 H TYR 91 H TYR 91 -17.248 -7.012 11.050 764 HA TYR 91 HA TYR 91 -18.043 -7.850 13.650 765 HB2 TYR 91 HB2 TYR 91 -20.324 -7.502 12.910 766 HB3 TYR 91 HB3 TYR 91 -19.314 -6.175 12.356 767 HD1 TYR 91 HD2 TYR 91 -20.935 -9.338 11.237 768 HD2 TYR 91 HD1 TYR 91 -19.216 -5.612 10.093 769 HE1 TYR 91 HE2 TYR 91 -21.755 -9.669 8.947 770 HE2 TYR 91 HE1 TYR 91 -20.028 -5.934 7.800 771 HH TYR 91 HH TYR 91 -22.364 -8.145 6.961 772 H SER 92 H SER 92 -19.608 -9.545 14.104 773 HA SER 92 HA SER 92 -18.798 -12.040 12.886 774 HB2 SER 92 HB2 SER 92 -20.703 -11.484 15.174 775 HB3 SER 92 HB3 SER 92 -20.117 -13.077 14.688 776 HG SER 92 HG SER 92 -18.439 -10.924 15.502 777 H CYS 93 H CYS 93 -20.059 -13.377 11.711 778 HA CYS 93 HA CYS 93 -22.804 -12.586 11.045 779 HB2 CYS 93 HB2 CYS 93 -22.407 -12.674 8.716 780 HB3 CYS 93 HB3 CYS 93 -21.115 -11.671 9.380 781 H ASN 94 H ASN 94 -23.593 -14.385 9.342 782 HA ASN 94 HA ASN 94 -22.854 -16.979 10.535 783 HB2 ASN 94 HB2 ASN 94 -25.174 -16.103 11.041 784 HB3 ASN 94 HB3 ASN 94 -25.532 -16.260 9.325 785 HD21 ASN 94 HD21 ASN 94 -25.125 -17.872 12.321 786 HD22 ASN 94 HD22 ASN 94 -25.594 -19.452 11.782 787 H CYS 95 H CYS 95 -21.165 -16.665 8.581 788 HA CYS 95 HA CYS 95 -22.373 -17.868 6.222 789 HB2 CYS 95 HB2 CYS 95 -19.579 -16.941 6.831 790 HB3 CYS 95 HB3 CYS 95 -19.974 -17.856 5.375 791 H LYS 96 H LYS 96 -21.762 -19.015 9.088 792 HA LYS 96 HA LYS 96 -21.467 -21.710 8.208 793 HB2 LYS 96 HB2 LYS 96 -19.479 -22.215 9.619 794 HB3 LYS 96 HB3 LYS 96 -19.110 -21.197 8.240 795 HG2 LYS 96 HG2 LYS 96 -19.110 -19.232 9.711 796 HG3 LYS 96 HG3 LYS 96 -19.435 -20.284 11.089 797 HD2 LYS 96 HD2 LYS 96 -17.003 -20.380 9.307 798 HD3 LYS 96 HD3 LYS 96 -17.065 -19.739 10.950 799 HE2 LYS 96 HE2 LYS 96 -17.656 -21.955 11.795 800 HE3 LYS 96 HE3 LYS 96 -17.616 -22.594 10.151 801 HZ1 LYS 96 HZ1 LYS 96 -15.568 -23.109 11.239 802 HZ2 LYS 96 HZ2 LYS 96 -15.323 -21.490 11.684 803 HZ3 LYS 96 HZ3 LYS 96 -15.253 -21.940 10.050 804 H PHE 97 H PHE 97 -21.184 -19.551 10.986 805 HA PHE 97 HA PHE 97 -23.572 -20.502 12.203 806 HB2 PHE 97 HB2 PHE 97 -22.685 -21.484 14.197 807 HB3 PHE 97 HB3 PHE 97 -21.863 -22.290 12.867 808 HD1 PHE 97 HD1 PHE 97 -21.492 -19.816 15.572 809 HD2 PHE 97 HD2 PHE 97 -19.508 -22.064 12.555 810 HE1 PHE 97 HE1 PHE 97 -19.322 -19.236 16.572 811 HE2 PHE 97 HE2 PHE 97 -17.337 -21.480 13.543 812 HZ PHE 97 HZ PHE 97 -17.238 -20.066 15.556 813 H SER 98 H SER 98 -23.800 -19.303 14.397 814 HA SER 98 HA SER 98 -21.897 -17.369 15.124 815 HB2 SER 98 HB2 SER 98 -23.220 -15.332 14.566 816 HB3 SER 98 HB3 SER 98 -22.528 -16.155 13.168 817 HG SER 98 HG SER 98 -25.190 -15.824 13.906 818 H LYS 99 H LYS 99 -22.784 -15.744 16.607 819 HA LYS 99 HA LYS 99 -24.701 -17.011 18.411 820 HB2 LYS 99 HB2 LYS 99 -22.723 -14.780 18.928 821 HB3 LYS 99 HB3 LYS 99 -23.574 -15.752 20.132 822 HG2 LYS 99 HG2 LYS 99 -22.259 -17.594 19.787 823 HG3 LYS 99 HG3 LYS 99 -21.895 -17.146 18.119 824 HD2 LYS 99 HD2 LYS 99 -20.801 -15.718 20.534 825 HD3 LYS 99 HD3 LYS 99 -19.964 -17.005 19.670 826 HE2 LYS 99 HE2 LYS 99 -20.136 -15.621 17.600 827 HE3 LYS 99 HE3 LYS 99 -20.762 -14.309 18.597 828 HZ1 LYS 99 HZ1 LYS 99 -18.722 -14.227 19.810 829 HZ2 LYS 99 HZ2 LYS 99 -18.338 -14.182 18.156 830 HZ3 LYS 99 HZ3 LYS 99 -18.132 -15.617 19.034 831 H LYS 100 H LYS 100 -24.145 -14.312 16.378 832 HA LYS 100 HA LYS 100 -26.503 -12.898 17.348 833 HB2 LYS 100 HB2 LYS 100 -24.425 -11.626 16.796 834 HB3 LYS 100 HB3 LYS 100 -24.565 -12.165 15.131 835 HG2 LYS 100 HG2 LYS 100 -26.907 -10.778 16.279 836 HG3 LYS 100 HG3 LYS 100 -25.463 -9.807 15.989 837 HD2 LYS 100 HD2 LYS 100 -25.493 -10.251 13.686 838 HD3 LYS 100 HD3 LYS 100 -26.582 -11.626 13.877 839 HE2 LYS 100 HE2 LYS 100 -27.742 -9.711 12.920 840 HE3 LYS 100 HE3 LYS 100 -28.390 -10.127 14.507 841 HZ1 LYS 100 HZ1 LYS 100 -28.088 -7.722 14.137 842 HZ2 LYS 100 HZ2 LYS 100 -26.410 -7.957 14.032 843 HZ3 LYS 100 HZ3 LYS 100 -27.234 -8.302 15.478 844 H LYS 101 H LYS 101 -28.257 -12.428 15.878 845 HA LYS 101 HA LYS 101 -28.905 -14.746 14.311 846 HB2 LYS 101 HB2 LYS 101 -30.489 -12.262 14.946 847 HB3 LYS 101 HB3 LYS 101 -31.112 -13.599 13.992 848 HG2 LYS 101 HG2 LYS 101 -31.945 -13.981 16.130 849 HG3 LYS 101 HG3 LYS 101 -30.558 -15.064 16.011 850 HD2 LYS 101 HD2 LYS 101 -30.470 -14.013 18.151 851 HD3 LYS 101 HD3 LYS 101 -29.199 -13.297 17.152 852 HE2 LYS 101 HE2 LYS 101 -30.374 -11.579 18.401 853 HE3 LYS 101 HE3 LYS 101 -30.641 -11.400 16.667 854 HZ1 LYS 101 HZ1 LYS 101 -32.560 -12.784 18.462 855 HZ2 LYS 101 HZ2 LYS 101 -32.814 -12.278 16.863 856 HZ3 LYS 101 HZ3 LYS 101 -32.661 -11.129 18.101 Start of MODEL 4 1 H MET 1 H MET 1 2.366 0.631 -0.833 2 HA MET 1 HA MET 1 2.745 -0.996 1.609 3 HB2 MET 1 HB2 MET 1 0.312 -0.220 0.013 4 HB3 MET 1 HB3 MET 1 0.326 -1.658 1.021 5 HG2 MET 1 HG2 MET 1 0.818 -0.264 2.978 6 HG3 MET 1 HG3 MET 1 0.753 1.170 1.954 7 HE1 MET 1 HE1 MET 1 -1.031 2.069 3.834 8 HE2 MET 1 HE2 MET 1 -1.014 0.513 4.665 9 HE3 MET 1 HE3 MET 1 -2.547 1.240 4.185 10 H LYS 2 H LYS 2 4.153 -2.510 0.780 11 HA LYS 2 HA LYS 2 3.323 -3.959 -1.607 12 HB2 LYS 2 HB2 LYS 2 5.734 -3.502 -1.225 13 HB3 LYS 2 HB3 LYS 2 5.672 -4.488 0.229 14 HG2 LYS 2 HG2 LYS 2 5.264 -6.462 -1.027 15 HG3 LYS 2 HG3 LYS 2 4.992 -5.539 -2.507 16 HD2 LYS 2 HD2 LYS 2 7.604 -5.608 -1.002 17 HD3 LYS 2 HD3 LYS 2 7.229 -6.632 -2.389 18 HE2 LYS 2 HE2 LYS 2 7.180 -3.618 -2.424 19 HE3 LYS 2 HE3 LYS 2 8.541 -4.599 -2.963 20 HZ1 LYS 2 HZ1 LYS 2 7.165 -3.913 -4.821 21 HZ2 LYS 2 HZ2 LYS 2 5.802 -4.652 -4.128 22 HZ3 LYS 2 HZ3 LYS 2 7.112 -5.598 -4.639 23 H GLY 3 H GLY 3 1.340 -4.574 -0.750 24 HA2 GLY 3 HA2 GLY 3 0.859 -7.049 0.144 25 HA3 GLY 3 HA3 GLY 3 1.203 -6.191 1.646 26 H ASP 4 H ASP 4 -1.056 -6.724 -0.874 27 HA ASP 4 HA ASP 4 -2.536 -4.343 -0.733 28 HB2 ASP 4 HB2 ASP 4 -4.293 -5.626 -1.944 29 HB3 ASP 4 HB3 ASP 4 -2.700 -5.715 -2.684 30 H ILE 5 H ILE 5 -4.536 -3.888 0.046 31 HA ILE 5 HA ILE 5 -5.030 -4.694 2.717 32 HB ILE 5 HB ILE 5 -5.682 -2.518 1.174 33 HG12 ILE 5 HG12 ILE 5 -5.396 -2.559 3.619 34 HG13 ILE 5 HG13 ILE 5 -6.818 -1.643 3.135 35 HG21 ILE 5 HG21 ILE 5 -8.223 -4.072 1.616 36 HG22 ILE 5 HG22 ILE 5 -7.521 -3.576 0.076 37 HG23 ILE 5 HG23 ILE 5 -8.155 -2.363 1.186 38 HD11 ILE 5 HD11 ILE 5 -7.276 -2.973 5.091 39 HD12 ILE 5 HD12 ILE 5 -6.795 -4.440 4.240 40 HD13 ILE 5 HD13 ILE 5 -8.230 -3.553 3.725 41 H GLU 6 H GLU 6 -6.184 -5.656 -0.393 42 HA GLU 6 HA GLU 6 -8.571 -6.933 0.280 43 HB2 GLU 6 HB2 GLU 6 -6.581 -7.688 -1.879 44 HB3 GLU 6 HB3 GLU 6 -8.253 -8.228 -1.798 45 HG2 GLU 6 HG2 GLU 6 -8.396 -6.520 -3.319 46 HG3 GLU 6 HG3 GLU 6 -8.794 -5.677 -1.823 47 H HIS 7 H HIS 7 -5.233 -8.134 0.211 48 HA HIS 7 HA HIS 7 -5.697 -10.710 1.148 49 HB2 HIS 7 HB2 HIS 7 -3.409 -8.855 1.101 50 HB3 HIS 7 HB3 HIS 7 -3.346 -10.067 2.380 51 HD1 HIS 7 HD1 HIS 7 -2.666 -9.613 -1.189 52 HD2 HIS 7 HD2 HIS 7 -3.539 -12.776 1.370 53 HE1 HIS 7 HE1 HIS 7 -1.962 -11.726 -2.393 54 H LYS 8 H LYS 8 -5.064 -7.748 3.027 55 HA LYS 8 HA LYS 8 -5.071 -8.912 5.568 56 HB2 LYS 8 HB2 LYS 8 -6.285 -6.198 5.205 57 HB3 LYS 8 HB3 LYS 8 -5.213 -6.772 6.468 58 HG2 LYS 8 HG2 LYS 8 -4.440 -6.122 3.641 59 HG3 LYS 8 HG3 LYS 8 -4.123 -5.139 5.065 60 HD2 LYS 8 HD2 LYS 8 -2.777 -7.030 5.983 61 HD3 LYS 8 HD3 LYS 8 -2.981 -7.858 4.434 62 HE2 LYS 8 HE2 LYS 8 -1.939 -5.936 3.299 63 HE3 LYS 8 HE3 LYS 8 -1.693 -5.163 4.864 64 HZ1 LYS 8 HZ1 LYS 8 -0.286 -7.056 5.504 65 HZ2 LYS 8 HZ2 LYS 8 0.321 -6.236 4.153 66 HZ3 LYS 8 HZ3 LYS 8 -0.480 -7.719 3.956 67 H VAL 9 H VAL 9 -7.789 -7.442 3.801 68 HA VAL 9 HA VAL 9 -9.646 -7.808 5.894 69 HB VAL 9 HB VAL 9 -10.032 -6.161 4.169 70 HG11 VAL 9 HG11 VAL 9 -9.111 -7.266 2.237 71 HG12 VAL 9 HG12 VAL 9 -10.785 -6.807 1.917 72 HG13 VAL 9 HG13 VAL 9 -10.386 -8.484 2.292 73 HG21 VAL 9 HG21 VAL 9 -11.954 -7.043 5.384 74 HG22 VAL 9 HG22 VAL 9 -12.168 -8.283 4.149 75 HG23 VAL 9 HG23 VAL 9 -12.393 -6.583 3.740 76 H TYR 10 H TYR 10 -8.766 -9.835 3.132 77 HA TYR 10 HA TYR 10 -10.828 -11.745 3.551 78 HB2 TYR 10 HB2 TYR 10 -8.129 -12.049 2.219 79 HB3 TYR 10 HB3 TYR 10 -9.376 -13.283 2.213 80 HD1 TYR 10 HD2 TYR 10 -11.166 -10.343 1.991 81 HD2 TYR 10 HD1 TYR 10 -8.532 -12.735 -0.339 82 HE1 TYR 10 HE2 TYR 10 -12.113 -9.375 -0.060 83 HE2 TYR 10 HE1 TYR 10 -9.473 -11.773 -2.398 84 HH TYR 10 HH TYR 10 -11.343 -9.014 -2.456 85 H GLN 11 H GLN 11 -7.665 -11.211 4.900 86 HA GLN 11 HA GLN 11 -7.084 -13.767 5.864 87 HB2 GLN 11 HB2 GLN 11 -6.219 -11.052 6.806 88 HB3 GLN 11 HB3 GLN 11 -5.638 -12.529 7.560 89 HG2 GLN 11 HG2 GLN 11 -5.276 -11.743 4.680 90 HG3 GLN 11 HG3 GLN 11 -4.049 -11.673 5.942 91 HE21 GLN 11 HE21 GLN 11 -4.070 -13.127 3.419 92 HE22 GLN 11 HE22 GLN 11 -3.816 -14.790 3.825 93 H LEU 12 H LEU 12 -8.714 -11.081 7.484 94 HA LEU 12 HA LEU 12 -9.029 -12.709 9.879 95 HB2 LEU 12 HB2 LEU 12 -10.236 -10.398 10.527 96 HB3 LEU 12 HB3 LEU 12 -8.533 -10.719 10.735 97 HG LEU 12 HG LEU 12 -8.273 -9.670 8.377 98 HD11 LEU 12 HD11 LEU 12 -10.654 -9.602 7.840 99 HD12 LEU 12 HD12 LEU 12 -9.944 -7.987 7.843 100 HD13 LEU 12 HD13 LEU 12 -10.931 -8.519 9.205 101 HD21 LEU 12 HD21 LEU 12 -8.084 -7.446 9.373 102 HD22 LEU 12 HD22 LEU 12 -7.404 -8.689 10.422 103 HD23 LEU 12 HD23 LEU 12 -8.987 -8.001 10.783 104 H LEU 13 H LEU 13 -10.997 -11.351 7.337 105 HA LEU 13 HA LEU 13 -13.479 -11.794 8.613 106 HB2 LEU 13 HB2 LEU 13 -12.752 -11.544 5.712 107 HB3 LEU 13 HB3 LEU 13 -14.405 -11.730 6.268 108 HG LEU 13 HG LEU 13 -12.540 -9.431 6.765 109 HD11 LEU 13 HD11 LEU 13 -13.808 -9.453 4.671 110 HD12 LEU 13 HD12 LEU 13 -14.333 -8.153 5.743 111 HD13 LEU 13 HD13 LEU 13 -15.306 -9.616 5.589 112 HD21 LEU 13 HD21 LEU 13 -13.575 -9.967 8.877 113 HD22 LEU 13 HD22 LEU 13 -15.159 -10.065 8.108 114 HD23 LEU 13 HD23 LEU 13 -14.320 -8.515 8.207 115 H LYS 14 H LYS 14 -11.611 -13.779 6.369 116 HA LYS 14 HA LYS 14 -13.464 -15.902 6.226 117 HB2 LYS 14 HB2 LYS 14 -11.700 -17.197 5.262 118 HB3 LYS 14 HB3 LYS 14 -11.487 -15.540 4.702 119 HG2 LYS 14 HG2 LYS 14 -9.707 -15.171 6.241 120 HG3 LYS 14 HG3 LYS 14 -10.008 -16.712 7.035 121 HD2 LYS 14 HD2 LYS 14 -9.376 -17.879 4.960 122 HD3 LYS 14 HD3 LYS 14 -9.033 -16.317 4.210 123 HE2 LYS 14 HE2 LYS 14 -7.296 -15.879 5.837 124 HE3 LYS 14 HE3 LYS 14 -7.686 -17.368 6.695 125 HZ1 LYS 14 HZ1 LYS 14 -7.033 -18.614 4.713 126 HZ2 LYS 14 HZ2 LYS 14 -5.753 -17.674 5.314 127 HZ3 LYS 14 HZ3 LYS 14 -6.605 -17.168 3.935 128 H ASP 15 H ASP 15 -11.122 -14.981 8.607 129 HA ASP 15 HA ASP 15 -10.909 -17.409 10.048 130 HB2 ASP 15 HB2 ASP 15 -9.304 -15.633 10.384 131 HB3 ASP 15 HB3 ASP 15 -10.567 -14.527 10.895 132 H GLN 16 H GLN 16 -12.973 -14.584 10.371 133 HA GLN 16 HA GLN 16 -14.287 -15.496 12.740 134 HB2 GLN 16 HB2 GLN 16 -15.438 -13.419 10.907 135 HB3 GLN 16 HB3 GLN 16 -15.515 -13.516 12.659 136 HG2 GLN 16 HG2 GLN 16 -12.820 -13.311 12.113 137 HG3 GLN 16 HG3 GLN 16 -13.583 -12.251 10.931 138 HE21 GLN 16 HE21 GLN 16 -13.059 -10.351 11.769 139 HE22 GLN 16 HE22 GLN 16 -13.586 -9.765 13.307 140 H GLY 17 H GLY 17 -14.557 -16.463 9.585 141 HA2 GLY 17 HA2 GLY 17 -16.004 -18.210 8.908 142 HA3 GLY 17 HA3 GLY 17 -17.141 -17.711 10.154 143 H CYS 18 H CYS 18 -15.588 -15.564 7.838 144 HA CYS 18 HA CYS 18 -18.208 -15.274 6.509 145 HB2 CYS 18 HB2 CYS 18 -17.148 -13.297 7.896 146 HB3 CYS 18 HB3 CYS 18 -16.143 -13.096 6.462 147 H GLU 19 H GLU 19 -18.243 -15.603 4.324 148 HA GLU 19 HA GLU 19 -15.672 -15.285 2.901 149 HB2 GLU 19 HB2 GLU 19 -16.227 -17.043 1.390 150 HB3 GLU 19 HB3 GLU 19 -16.522 -17.666 3.006 151 HG2 GLU 19 HG2 GLU 19 -18.699 -16.536 1.280 152 HG3 GLU 19 HG3 GLU 19 -18.238 -18.238 1.267 153 H ASP 20 H ASP 20 -18.726 -14.115 3.379 154 HA ASP 20 HA ASP 20 -19.285 -13.322 0.668 155 HB2 ASP 20 HB2 ASP 20 -21.111 -14.011 2.205 156 HB3 ASP 20 HB3 ASP 20 -20.755 -12.606 3.207 157 H PHE 21 H PHE 21 -17.361 -12.110 0.423 158 HA PHE 21 HA PHE 21 -17.860 -9.312 0.743 159 HB2 PHE 21 HB2 PHE 21 -15.556 -8.909 1.813 160 HB3 PHE 21 HB3 PHE 21 -16.859 -9.438 2.867 161 HD1 PHE 21 HD1 PHE 21 -13.685 -10.406 1.286 162 HD2 PHE 21 HD2 PHE 21 -16.816 -11.586 3.905 163 HE1 PHE 21 HE1 PHE 21 -12.285 -12.249 2.123 164 HE2 PHE 21 HE2 PHE 21 -15.438 -13.426 4.734 165 HZ PHE 21 HZ PHE 21 -13.151 -13.768 3.862 166 H GLY 22 H GLY 22 -16.118 -8.020 -0.339 167 HA2 GLY 22 HA2 GLY 22 -14.035 -9.013 -1.833 168 HA3 GLY 22 HA3 GLY 22 -15.461 -9.257 -2.834 169 H THR 23 H THR 23 -13.751 -7.683 -3.999 170 HA THR 23 HA THR 23 -14.553 -4.931 -3.325 171 HB THR 23 HB THR 23 -12.507 -4.324 -4.763 172 HG1 THR 23 HG1 THR 23 -11.880 -6.197 -5.687 173 HG21 THR 23 HG21 THR 23 -10.985 -4.572 -2.869 174 HG22 THR 23 HG22 THR 23 -12.085 -5.734 -2.128 175 HG23 THR 23 HG23 THR 23 -12.581 -4.053 -2.327 176 H LYS 24 H LYS 24 -15.569 -3.697 -4.815 177 HA LYS 24 HA LYS 24 -15.992 -4.852 -7.474 178 HB2 LYS 24 HB2 LYS 24 -17.816 -3.383 -7.763 179 HB3 LYS 24 HB3 LYS 24 -17.938 -3.914 -6.095 180 HG2 LYS 24 HG2 LYS 24 -17.038 -1.826 -5.309 181 HG3 LYS 24 HG3 LYS 24 -16.736 -1.292 -6.968 182 HD2 LYS 24 HD2 LYS 24 -19.234 -1.577 -7.346 183 HD3 LYS 24 HD3 LYS 24 -19.376 -1.737 -5.595 184 HE2 LYS 24 HE2 LYS 24 -19.778 0.516 -5.912 185 HE3 LYS 24 HE3 LYS 24 -18.059 0.489 -5.536 186 HZ1 LYS 24 HZ1 LYS 24 -17.561 0.661 -7.881 187 HZ2 LYS 24 HZ2 LYS 24 -18.574 1.940 -7.418 188 HZ3 LYS 24 HZ3 LYS 24 -19.210 0.625 -8.267 189 H CYS 25 H CYS 25 -15.279 -3.848 -9.312 190 HA CYS 25 HA CYS 25 -13.649 -1.430 -8.980 191 HB2 CYS 25 HB2 CYS 25 -12.001 -2.464 -10.594 192 HB3 CYS 25 HB3 CYS 25 -12.047 -3.222 -9.006 193 HG CYS 25 HG CYS 25 -14.190 -4.850 -10.797 194 H VAL 26 H VAL 26 -16.214 -1.389 -9.789 195 HA VAL 26 HA VAL 26 -16.392 -1.880 -12.636 196 HB VAL 26 HB VAL 26 -18.268 -2.522 -11.254 197 HG11 VAL 26 HG11 VAL 26 -19.663 -0.862 -10.109 198 HG12 VAL 26 HG12 VAL 26 -18.497 0.393 -10.527 199 HG13 VAL 26 HG13 VAL 26 -18.027 -0.921 -9.449 200 HG21 VAL 26 HG21 VAL 26 -20.084 -1.393 -12.460 201 HG22 VAL 26 HG22 VAL 26 -18.760 -1.849 -13.532 202 HG23 VAL 26 HG23 VAL 26 -18.942 -0.171 -13.019 203 H ILE 27 H ILE 27 -16.246 -0.387 -14.204 204 HA ILE 27 HA ILE 27 -15.448 2.263 -13.529 205 HB ILE 27 HB ILE 27 -16.108 0.996 -16.181 206 HG12 ILE 27 HG12 ILE 27 -13.514 1.979 -14.960 207 HG13 ILE 27 HG13 ILE 27 -14.004 0.291 -15.103 208 HG21 ILE 27 HG21 ILE 27 -15.319 3.047 -17.234 209 HG22 ILE 27 HG22 ILE 27 -15.118 3.792 -15.645 210 HG23 ILE 27 HG23 ILE 27 -16.730 3.359 -16.219 211 HD11 ILE 27 HD11 ILE 27 -12.397 0.929 -16.823 212 HD12 ILE 27 HD12 ILE 27 -13.511 2.170 -17.400 213 HD13 ILE 27 HD13 ILE 27 -13.948 0.465 -17.522 214 H GLU 28 H GLU 28 -16.620 3.987 -13.236 215 HA GLU 28 HA GLU 28 -19.445 3.924 -14.041 216 HB2 GLU 28 HB2 GLU 28 -18.186 5.246 -11.630 217 HB3 GLU 28 HB3 GLU 28 -19.885 5.371 -12.081 218 HG2 GLU 28 HG2 GLU 28 -20.090 2.931 -11.862 219 HG3 GLU 28 HG3 GLU 28 -18.413 2.856 -11.329 220 H GLU 29 H GLU 29 -19.384 5.012 -15.905 221 HA GLU 29 HA GLU 29 -17.781 7.361 -16.258 222 HB2 GLU 29 HB2 GLU 29 -18.979 7.509 -18.463 223 HB3 GLU 29 HB3 GLU 29 -18.121 6.003 -18.183 224 HG2 GLU 29 HG2 GLU 29 -20.260 4.950 -17.532 225 HG3 GLU 29 HG3 GLU 29 -21.085 6.449 -17.963 226 H VAL 30 H VAL 30 -18.277 9.343 -15.703 227 HA VAL 30 HA VAL 30 -20.815 9.759 -14.364 228 HB VAL 30 HB VAL 30 -18.383 11.545 -14.555 229 HG11 VAL 30 HG11 VAL 30 -20.803 11.755 -12.767 230 HG12 VAL 30 HG12 VAL 30 -20.426 12.822 -14.120 231 HG13 VAL 30 HG13 VAL 30 -19.375 12.786 -12.702 232 HG21 VAL 30 HG21 VAL 30 -18.009 10.815 -12.218 233 HG22 VAL 30 HG22 VAL 30 -17.877 9.502 -13.387 234 HG23 VAL 30 HG23 VAL 30 -19.332 9.664 -12.402 235 H LYS 31 H LYS 31 -18.881 11.684 -16.664 236 HA LYS 31 HA LYS 31 -21.328 12.447 -18.031 237 HB2 LYS 31 HB2 LYS 31 -20.839 14.853 -17.857 238 HB3 LYS 31 HB3 LYS 31 -21.133 14.137 -16.281 239 HG2 LYS 31 HG2 LYS 31 -19.320 15.389 -15.764 240 HG3 LYS 31 HG3 LYS 31 -18.484 13.933 -16.304 241 HD2 LYS 31 HD2 LYS 31 -17.433 15.836 -17.325 242 HD3 LYS 31 HD3 LYS 31 -18.311 14.946 -18.573 243 HE2 LYS 31 HE2 LYS 31 -20.216 16.546 -18.227 244 HE3 LYS 31 HE3 LYS 31 -19.146 17.493 -17.194 245 HZ1 LYS 31 HZ1 LYS 31 -19.199 18.350 -19.452 246 HZ2 LYS 31 HZ2 LYS 31 -18.675 16.857 -20.057 247 HZ3 LYS 31 HZ3 LYS 31 -17.647 17.779 -19.072 248 H SER 32 H SER 32 -20.827 13.747 -20.010 249 HA SER 32 HA SER 32 -18.168 13.080 -21.075 250 HB2 SER 32 HB2 SER 32 -19.913 11.443 -21.861 251 HB3 SER 32 HB3 SER 32 -20.763 12.789 -22.619 252 HG SER 32 HG SER 32 -19.510 12.032 -24.226 253 H SER 33 H SER 33 -18.401 14.171 -23.544 254 HA SER 33 HA SER 33 -19.325 16.924 -23.123 255 HB2 SER 33 HB2 SER 33 -17.273 17.689 -24.389 256 HB3 SER 33 HB3 SER 33 -16.949 17.043 -22.780 257 HG SER 33 HG SER 33 -16.857 15.364 -25.043 258 H HIS 34 H HIS 34 -21.085 16.742 -24.406 259 HA HIS 34 HA HIS 34 -21.148 15.376 -26.881 260 HB2 HIS 34 HB2 HIS 34 -23.107 16.042 -25.346 261 HB3 HIS 34 HB3 HIS 34 -23.000 17.626 -26.103 262 HD1 HIS 34 HD1 HIS 34 -23.921 14.050 -26.870 263 HD2 HIS 34 HD2 HIS 34 -24.036 17.811 -28.641 264 HE1 HIS 34 HE1 HIS 34 -25.396 13.829 -28.911 265 H LYS 35 H LYS 35 -19.703 15.995 -28.383 266 HA LYS 35 HA LYS 35 -19.922 18.516 -29.690 267 HB2 LYS 35 HB2 LYS 35 -18.679 19.200 -27.646 268 HB3 LYS 35 HB3 LYS 35 -17.411 18.056 -28.059 269 HG2 LYS 35 HG2 LYS 35 -16.634 20.162 -28.751 270 HG3 LYS 35 HG3 LYS 35 -17.143 19.334 -30.225 271 HD2 LYS 35 HD2 LYS 35 -17.936 21.592 -30.328 272 HD3 LYS 35 HD3 LYS 35 -19.326 20.541 -30.053 273 HE2 LYS 35 HE2 LYS 35 -19.279 21.076 -27.677 274 HE3 LYS 35 HE3 LYS 35 -17.857 22.088 -27.920 275 HZ1 LYS 35 HZ1 LYS 35 -19.753 23.490 -27.831 276 HZ2 LYS 35 HZ2 LYS 35 -20.595 22.554 -28.967 277 HZ3 LYS 35 HZ3 LYS 35 -19.238 23.456 -29.447 278 H THR 36 H THR 36 -17.799 15.768 -28.986 279 HA THR 36 HA THR 36 -16.440 15.913 -31.478 280 HB THR 36 HB THR 36 -15.250 14.949 -29.662 281 HG1 THR 36 HG1 THR 36 -15.652 13.606 -31.938 282 HG21 THR 36 HG21 THR 36 -17.134 14.168 -28.324 283 HG22 THR 36 HG22 THR 36 -15.935 12.892 -28.534 284 HG23 THR 36 HG23 THR 36 -17.425 12.866 -29.478 285 H LEU 37 H LEU 37 -19.004 13.786 -30.230 286 HA LEU 37 HA LEU 37 -20.523 12.456 -31.246 287 HB2 LEU 37 HB2 LEU 37 -20.171 14.512 -33.413 288 HB3 LEU 37 HB3 LEU 37 -21.435 13.299 -33.415 289 HG LEU 37 HG LEU 37 -21.077 15.447 -31.326 290 HD11 LEU 37 HD11 LEU 37 -23.058 15.152 -33.576 291 HD12 LEU 37 HD12 LEU 37 -21.811 16.390 -33.419 292 HD13 LEU 37 HD13 LEU 37 -23.162 16.350 -32.287 293 HD21 LEU 37 HD21 LEU 37 -22.043 13.412 -30.398 294 HD22 LEU 37 HD22 LEU 37 -23.243 13.378 -31.690 295 HD23 LEU 37 HD23 LEU 37 -23.258 14.686 -30.507 296 H LEU 38 H LEU 38 -19.271 10.591 -31.389 297 HA LEU 38 HA LEU 38 -18.669 9.860 -34.152 298 HB2 LEU 38 HB2 LEU 38 -16.559 8.851 -33.626 299 HB3 LEU 38 HB3 LEU 38 -16.517 10.523 -33.115 300 HG LEU 38 HG LEU 38 -17.095 8.314 -31.156 301 HD11 LEU 38 HD11 LEU 38 -14.979 7.783 -32.287 302 HD12 LEU 38 HD12 LEU 38 -14.725 8.264 -30.609 303 HD13 LEU 38 HD13 LEU 38 -14.384 9.401 -31.914 304 HD21 LEU 38 HD21 LEU 38 -17.580 10.585 -30.439 305 HD22 LEU 38 HD22 LEU 38 -15.950 11.091 -30.887 306 HD23 LEU 38 HD23 LEU 38 -16.189 9.943 -29.569 307 H ASN 39 H ASN 39 -17.709 7.335 -33.719 308 HA ASN 39 HA ASN 39 -19.744 5.597 -33.374 309 HB2 ASN 39 HB2 ASN 39 -17.515 4.912 -34.054 310 HB3 ASN 39 HB3 ASN 39 -16.880 5.289 -32.454 311 HD21 ASN 39 HD21 ASN 39 -16.097 3.219 -32.177 312 HD22 ASN 39 HD22 ASN 39 -17.130 1.861 -31.875 313 H THR 40 H THR 40 -17.466 6.262 -30.737 314 HA THR 40 HA THR 40 -19.660 5.905 -28.816 315 HB THR 40 HB THR 40 -17.757 5.542 -27.160 316 HG1 THR 40 HG1 THR 40 -15.851 4.654 -28.573 317 HG21 THR 40 HG21 THR 40 -17.394 3.212 -27.830 318 HG22 THR 40 HG22 THR 40 -18.034 3.577 -29.433 319 HG23 THR 40 HG23 THR 40 -19.081 3.685 -28.019 320 H GLU 41 H GLU 41 -18.066 7.162 -26.677 321 HA GLU 41 HA GLU 41 -18.180 9.954 -27.549 322 HB2 GLU 41 HB2 GLU 41 -17.908 8.733 -24.793 323 HB3 GLU 41 HB3 GLU 41 -17.920 10.461 -25.115 324 HG2 GLU 41 HG2 GLU 41 -20.164 8.563 -25.744 325 HG3 GLU 41 HG3 GLU 41 -20.087 9.620 -24.335 326 H LEU 42 H LEU 42 -16.057 7.902 -28.189 327 HA LEU 42 HA LEU 42 -13.810 7.733 -28.409 328 HB2 LEU 42 HB2 LEU 42 -13.884 10.109 -28.998 329 HB3 LEU 42 HB3 LEU 42 -13.779 10.542 -27.303 330 HG LEU 42 HG LEU 42 -11.529 9.489 -27.214 331 HD11 LEU 42 HD11 LEU 42 -11.769 7.914 -29.049 332 HD12 LEU 42 HD12 LEU 42 -10.386 8.976 -29.316 333 HD13 LEU 42 HD13 LEU 42 -11.889 9.247 -30.197 334 HD21 LEU 42 HD21 LEU 42 -11.774 11.890 -27.538 335 HD22 LEU 42 HD22 LEU 42 -11.889 11.654 -29.283 336 HD23 LEU 42 HD23 LEU 42 -10.388 11.274 -28.438 337 H HIS 43 H HIS 43 -13.986 9.745 -25.490 338 HA HIS 43 HA HIS 43 -13.734 7.610 -23.658 339 HB2 HIS 43 HB2 HIS 43 -11.377 7.697 -24.649 340 HB3 HIS 43 HB3 HIS 43 -11.224 9.283 -23.902 341 HD1 HIS 43 HD1 HIS 43 -10.538 5.815 -23.241 342 HD2 HIS 43 HD2 HIS 43 -11.699 9.092 -20.956 343 HE1 HIS 43 HE1 HIS 43 -9.987 5.241 -20.841 344 H LEU 44 H LEU 44 -15.265 8.580 -22.450 345 HA LEU 44 HA LEU 44 -15.186 11.442 -22.014 346 HB2 LEU 44 HB2 LEU 44 -17.322 10.901 -20.693 347 HB3 LEU 44 HB3 LEU 44 -17.338 10.762 -22.438 348 HG LEU 44 HG LEU 44 -17.011 8.288 -22.175 349 HD11 LEU 44 HD11 LEU 44 -17.568 8.884 -19.274 350 HD12 LEU 44 HD12 LEU 44 -16.054 8.268 -19.937 351 HD13 LEU 44 HD13 LEU 44 -17.514 7.282 -20.011 352 HD21 LEU 44 HD21 LEU 44 -19.333 7.865 -21.562 353 HD22 LEU 44 HD22 LEU 44 -19.187 9.269 -22.621 354 HD23 LEU 44 HD23 LEU 44 -19.453 9.492 -20.893 355 H THR 45 H THR 45 -16.206 11.825 -19.546 356 HA THR 45 HA THR 45 -13.915 11.245 -17.887 357 HB THR 45 HB THR 45 -16.426 12.691 -17.092 358 HG1 THR 45 HG1 THR 45 -14.394 13.421 -18.808 359 HG21 THR 45 HG21 THR 45 -14.973 12.051 -15.241 360 HG22 THR 45 HG22 THR 45 -14.954 13.799 -15.472 361 HG23 THR 45 HG23 THR 45 -13.601 12.822 -16.041 362 H LYS 46 H LYS 46 -13.908 9.196 -17.316 363 HA LYS 46 HA LYS 46 -16.251 8.154 -15.903 364 HB2 LYS 46 HB2 LYS 46 -16.098 6.174 -16.977 365 HB3 LYS 46 HB3 LYS 46 -15.244 7.125 -18.184 366 HG2 LYS 46 HG2 LYS 46 -13.885 5.629 -15.964 367 HG3 LYS 46 HG3 LYS 46 -14.171 4.964 -17.570 368 HD2 LYS 46 HD2 LYS 46 -12.705 6.495 -18.581 369 HD3 LYS 46 HD3 LYS 46 -12.701 7.550 -17.161 370 HE2 LYS 46 HE2 LYS 46 -11.487 5.957 -15.886 371 HE3 LYS 46 HE3 LYS 46 -11.650 4.737 -17.148 372 HZ1 LYS 46 HZ1 LYS 46 -10.154 7.288 -17.464 373 HZ2 LYS 46 HZ2 LYS 46 -10.229 6.022 -18.578 374 HZ3 LYS 46 HZ3 LYS 46 -9.434 5.800 -17.098 375 H TYR 47 H TYR 47 -15.804 6.727 -14.121 376 HA TYR 47 HA TYR 47 -13.151 7.164 -12.943 377 HB2 TYR 47 HB2 TYR 47 -15.861 7.480 -11.652 378 HB3 TYR 47 HB3 TYR 47 -14.397 7.239 -10.706 379 HD1 TYR 47 HD2 TYR 47 -15.758 9.489 -13.382 380 HD2 TYR 47 HD1 TYR 47 -13.211 9.086 -9.996 381 HE1 TYR 47 HE2 TYR 47 -15.305 11.901 -13.440 382 HE2 TYR 47 HE1 TYR 47 -12.751 11.499 -10.051 383 HH TYR 47 HH TYR 47 -14.541 13.669 -12.050 384 H TYR 48 H TYR 48 -12.339 5.521 -11.707 385 HA TYR 48 HA TYR 48 -13.480 2.907 -12.155 386 HB2 TYR 48 HB2 TYR 48 -10.946 3.879 -10.843 387 HB3 TYR 48 HB3 TYR 48 -11.459 2.202 -10.705 388 HD1 TYR 48 HD2 TYR 48 -12.167 4.014 -13.788 389 HD2 TYR 48 HD1 TYR 48 -9.392 1.481 -11.801 390 HE1 TYR 48 HE2 TYR 48 -11.091 3.510 -15.940 391 HE2 TYR 48 HE1 TYR 48 -8.306 0.970 -13.946 392 HH TYR 48 HH TYR 48 -8.836 0.982 -16.340 393 H GLY 49 H GLY 49 -15.196 2.454 -10.969 394 HA2 GLY 49 HA2 GLY 49 -15.568 3.550 -8.334 395 HA3 GLY 49 HA3 GLY 49 -16.659 2.460 -9.179 396 H PHE 50 H PHE 50 -13.561 2.566 -7.464 397 HA PHE 50 HA PHE 50 -13.655 -0.237 -6.793 398 HB2 PHE 50 HB2 PHE 50 -11.824 2.042 -6.171 399 HB3 PHE 50 HB3 PHE 50 -11.794 0.634 -5.118 400 HD1 PHE 50 HD2 PHE 50 -11.042 -1.513 -5.938 401 HD2 PHE 50 HD1 PHE 50 -10.952 1.938 -8.427 402 HE1 PHE 50 HE2 PHE 50 -9.526 -2.671 -7.483 403 HE2 PHE 50 HE1 PHE 50 -9.448 0.787 -9.974 404 HZ PHE 50 HZ PHE 50 -8.718 -1.519 -9.499 405 H SER 51 H SER 51 -14.405 -1.132 -4.956 406 HA SER 51 HA SER 51 -14.852 0.340 -2.559 407 HB2 SER 51 HB2 SER 51 -16.767 1.116 -3.966 408 HB3 SER 51 HB3 SER 51 -17.308 -0.555 -4.084 409 HG SER 51 HG SER 51 -16.850 0.446 -1.528 410 H PHE 52 H PHE 52 -15.249 -1.051 -0.821 411 HA PHE 52 HA PHE 52 -15.042 -3.889 -1.502 412 HB2 PHE 52 HB2 PHE 52 -13.321 -2.901 0.043 413 HB3 PHE 52 HB3 PHE 52 -14.614 -2.641 1.211 414 HD1 PHE 52 HD2 PHE 52 -15.745 -4.543 2.263 415 HD2 PHE 52 HD1 PHE 52 -12.462 -5.078 -0.384 416 HE1 PHE 52 HE2 PHE 52 -15.501 -6.861 3.040 417 HE2 PHE 52 HE1 PHE 52 -12.212 -7.396 0.383 418 HZ PHE 52 HZ PHE 52 -13.737 -8.292 2.096 419 H PHE 53 H PHE 53 -16.722 -5.136 -1.333 420 HA PHE 53 HA PHE 53 -19.138 -4.148 -0.025 421 HB2 PHE 53 HB2 PHE 53 -18.556 -5.944 -2.261 422 HB3 PHE 53 HB3 PHE 53 -19.795 -6.566 -1.176 423 HD1 PHE 53 HD1 PHE 53 -21.815 -5.219 -0.727 424 HD2 PHE 53 HD2 PHE 53 -19.009 -4.148 -3.736 425 HE1 PHE 53 HE1 PHE 53 -23.498 -3.749 -1.766 426 HE2 PHE 53 HE2 PHE 53 -20.685 -2.678 -4.784 427 HZ PHE 53 HZ PHE 53 -22.932 -2.475 -3.793 428 H ARG 54 H ARG 54 -20.090 -5.092 1.653 429 HA ARG 54 HA ARG 54 -18.992 -7.587 2.738 430 HB2 ARG 54 HB2 ARG 54 -17.749 -5.916 3.913 431 HB3 ARG 54 HB3 ARG 54 -19.188 -4.944 4.182 432 HG2 ARG 54 HG2 ARG 54 -18.489 -6.074 6.211 433 HG3 ARG 54 HG3 ARG 54 -20.073 -6.642 5.678 434 HD2 ARG 54 HD2 ARG 54 -19.075 -8.633 4.730 435 HD3 ARG 54 HD3 ARG 54 -17.462 -8.047 5.147 436 HE ARG 54 HE ARG 54 -19.427 -9.190 6.948 437 HH11 ARG 54 1HH1 ARG 54 -16.533 -7.316 6.587 438 HH12 ARG 54 2HH1 ARG 54 -15.925 -7.661 8.176 439 HH21 ARG 54 1HH2 ARG 54 -18.657 -9.670 9.084 440 HH22 ARG 54 2HH2 ARG 54 -17.141 -9.012 9.601 441 H HIS 55 H HIS 55 -20.838 -8.812 2.606 442 HA HIS 55 HA HIS 55 -22.996 -9.499 2.864 443 HB2 HIS 55 HB2 HIS 55 -22.544 -7.775 5.254 444 HB3 HIS 55 HB3 HIS 55 -24.191 -8.299 4.915 445 HD1 HIS 55 HD1 HIS 55 -24.811 -10.521 5.855 446 HD2 HIS 55 HD2 HIS 55 -20.695 -10.060 5.451 447 HE1 HIS 55 HE1 HIS 55 -23.753 -12.606 6.830 448 H GLY 56 H GLY 56 -22.497 -7.294 1.059 449 HA2 GLY 56 HA2 GLY 56 -23.983 -6.195 -0.383 450 HA3 GLY 56 HA3 GLY 56 -25.242 -6.338 0.834 451 H ASN 57 H ASN 57 -22.982 -5.231 2.717 452 HA ASN 57 HA ASN 57 -23.746 -2.445 2.317 453 HB2 ASN 57 HB2 ASN 57 -21.990 -3.546 4.519 454 HB3 ASN 57 HB3 ASN 57 -22.836 -2.004 4.494 455 HD21 ASN 57 HD21 ASN 57 -23.045 -5.368 5.028 456 HD22 ASN 57 HD22 ASN 57 -24.648 -5.398 5.695 457 H ILE 58 H ILE 58 -21.910 -0.855 2.845 458 HA ILE 58 HA ILE 58 -19.546 -1.636 1.275 459 HB ILE 58 HB ILE 58 -20.949 1.030 1.424 460 HG12 ILE 58 HG12 ILE 58 -21.793 -0.702 -0.165 461 HG13 ILE 58 HG13 ILE 58 -21.214 0.757 -0.965 462 HG21 ILE 58 HG21 ILE 58 -19.159 1.943 0.033 463 HG22 ILE 58 HG22 ILE 58 -18.278 0.420 0.162 464 HG23 ILE 58 HG23 ILE 58 -18.544 1.408 1.597 465 HD11 ILE 58 HD11 ILE 58 -20.523 -1.231 -2.165 466 HD12 ILE 58 HD12 ILE 58 -19.731 -1.851 -0.716 467 HD13 ILE 58 HD13 ILE 58 -19.119 -0.394 -1.501 468 H VAL 59 H VAL 59 -17.863 -1.884 2.480 469 HA VAL 59 HA VAL 59 -17.597 -0.419 5.002 470 HB VAL 59 HB VAL 59 -15.954 -2.695 3.864 471 HG11 VAL 59 HG11 VAL 59 -15.723 -1.223 6.486 472 HG12 VAL 59 HG12 VAL 59 -14.497 -1.379 5.229 473 HG13 VAL 59 HG13 VAL 59 -14.972 -2.791 6.179 474 HG21 VAL 59 HG21 VAL 59 -18.151 -3.419 4.560 475 HG22 VAL 59 HG22 VAL 59 -17.969 -2.593 6.108 476 HG23 VAL 59 HG23 VAL 59 -16.951 -3.983 5.726 477 H ALA 60 H ALA 60 -16.044 -0.865 1.888 478 HA ALA 60 HA ALA 60 -14.429 1.538 2.441 479 HB1 ALA 60 1HB ALA 60 -13.017 -0.490 2.506 480 HB2 ALA 60 HB2 ALA 60 -12.584 0.603 1.189 481 HB3 ALA 60 HB3 ALA 60 -13.514 -0.860 0.855 482 H TYR 61 H TYR 61 -14.429 3.052 0.813 483 HA TYR 61 HA TYR 61 -15.365 2.223 -1.823 484 HB2 TYR 61 HB2 TYR 61 -17.252 3.212 -0.289 485 HB3 TYR 61 HB3 TYR 61 -16.491 4.754 -0.674 486 HD1 TYR 61 HD2 TYR 61 -16.004 5.038 -3.318 487 HD2 TYR 61 HD1 TYR 61 -18.989 2.537 -1.613 488 HE1 TYR 61 HE2 TYR 61 -17.241 5.072 -5.445 489 HE2 TYR 61 HE1 TYR 61 -20.232 2.562 -3.732 490 HH TYR 61 HH TYR 61 -20.439 3.976 -5.736 491 H GLY 62 H GLY 62 -14.087 3.018 -3.320 492 HA2 GLY 62 HA2 GLY 62 -12.754 5.589 -2.862 493 HA3 GLY 62 HA3 GLY 62 -11.767 4.176 -3.226 494 H LYS 63 H LYS 63 -13.971 6.529 -4.487 495 HA LYS 63 HA LYS 63 -13.760 5.368 -7.150 496 HB2 LYS 63 HB2 LYS 63 -15.981 5.974 -6.466 497 HB3 LYS 63 HB3 LYS 63 -15.450 7.584 -6.004 498 HG2 LYS 63 HG2 LYS 63 -15.131 8.222 -8.261 499 HG3 LYS 63 HG3 LYS 63 -15.321 6.557 -8.821 500 HD2 LYS 63 HD2 LYS 63 -17.342 7.853 -9.231 501 HD3 LYS 63 HD3 LYS 63 -17.627 6.556 -8.070 502 HE2 LYS 63 HE2 LYS 63 -18.730 8.648 -7.399 503 HE3 LYS 63 HE3 LYS 63 -17.520 8.128 -6.229 504 HZ1 LYS 63 HZ1 LYS 63 -16.009 9.769 -7.016 505 HZ2 LYS 63 HZ2 LYS 63 -17.491 10.546 -6.754 506 HZ3 LYS 63 HZ3 LYS 63 -17.007 10.162 -8.332 507 H SER 64 H SER 64 -12.293 6.090 -8.531 508 HA SER 64 HA SER 64 -11.619 8.900 -8.649 509 HB2 SER 64 HB2 SER 64 -9.470 6.834 -8.104 510 HB3 SER 64 HB3 SER 64 -9.186 8.532 -8.483 511 HG SER 64 HG SER 64 -10.932 8.268 -6.433 512 H ARG 65 H ARG 65 -10.351 9.408 -10.579 513 HA ARG 65 HA ARG 65 -11.114 7.770 -12.806 514 HB2 ARG 65 HB2 ARG 65 -10.897 10.312 -12.786 515 HB3 ARG 65 HB3 ARG 65 -9.158 10.075 -12.829 516 HG2 ARG 65 HG2 ARG 65 -9.310 8.982 -14.969 517 HG3 ARG 65 HG3 ARG 65 -11.072 9.044 -14.914 518 HD2 ARG 65 HD2 ARG 65 -10.921 11.526 -14.853 519 HD3 ARG 65 HD3 ARG 65 -9.177 11.385 -15.064 520 HE ARG 65 HE ARG 65 -9.938 10.055 -17.180 521 HH11 ARG 65 1HH1 ARG 65 -11.365 12.977 -15.862 522 HH12 ARG 65 2HH1 ARG 65 -11.920 13.548 -17.406 523 HH21 ARG 65 1HH2 ARG 65 -10.683 10.809 -19.211 524 HH22 ARG 65 2HH2 ARG 65 -11.568 12.303 -19.304 525 H LYS 66 H LYS 66 -8.463 7.981 -10.687 526 HA LYS 66 HA LYS 66 -6.744 6.341 -12.401 527 HB2 LYS 66 HB2 LYS 66 -6.154 7.630 -9.726 528 HB3 LYS 66 HB3 LYS 66 -4.992 6.816 -10.766 529 HG2 LYS 66 HG2 LYS 66 -5.130 8.528 -12.404 530 HG3 LYS 66 HG3 LYS 66 -6.521 9.267 -11.604 531 HD2 LYS 66 HD2 LYS 66 -5.096 9.753 -9.648 532 HD3 LYS 66 HD3 LYS 66 -3.713 9.079 -10.513 533 HE2 LYS 66 HE2 LYS 66 -3.848 10.788 -12.186 534 HE3 LYS 66 HE3 LYS 66 -5.363 11.393 -11.519 535 HZ1 LYS 66 HZ1 LYS 66 -2.774 11.406 -10.061 536 HZ2 LYS 66 HZ2 LYS 66 -4.224 12.124 -9.563 537 HZ3 LYS 66 HZ3 LYS 66 -3.401 12.735 -10.910 538 H VAL 67 H VAL 67 -6.629 4.213 -12.073 539 HA VAL 67 HA VAL 67 -8.270 2.798 -10.335 540 HB VAL 67 HB VAL 67 -7.382 1.695 -12.265 541 HG11 VAL 67 HG11 VAL 67 -5.288 2.901 -12.461 542 HG12 VAL 67 HG12 VAL 67 -5.013 1.160 -12.524 543 HG13 VAL 67 HG13 VAL 67 -4.657 2.057 -11.047 544 HG21 VAL 67 HG21 VAL 67 -7.830 0.183 -10.438 545 HG22 VAL 67 HG22 VAL 67 -6.226 0.463 -9.767 546 HG23 VAL 67 HG23 VAL 67 -6.404 -0.370 -11.311 547 H ALA 68 H ALA 68 -4.832 3.577 -9.985 548 HA ALA 68 HA ALA 68 -4.414 2.203 -7.581 549 HB1 ALA 68 1HB ALA 68 -2.935 4.606 -8.646 550 HB2 ALA 68 HB2 ALA 68 -2.600 2.925 -9.058 551 HB3 ALA 68 HB3 ALA 68 -2.356 3.494 -7.406 552 H ASN 69 H ASN 69 -5.442 5.528 -8.218 553 HA ASN 69 HA ASN 69 -5.224 6.407 -5.519 554 HB2 ASN 69 HB2 ASN 69 -5.332 7.883 -7.597 555 HB3 ASN 69 HB3 ASN 69 -7.065 7.588 -7.598 556 HD21 ASN 69 HD21 ASN 69 -8.351 8.536 -6.029 557 HD22 ASN 69 HD22 ASN 69 -7.762 9.789 -4.986 558 H ALA 70 H ALA 70 -7.912 5.288 -7.515 559 HA ALA 70 HA ALA 70 -9.980 5.497 -5.645 560 HB1 ALA 70 1HB ALA 70 -9.588 3.462 -7.844 561 HB2 ALA 70 HB2 ALA 70 -10.319 5.058 -8.030 562 HB3 ALA 70 HB3 ALA 70 -11.116 3.834 -7.042 563 H LYS 71 H LYS 71 -7.811 2.869 -6.425 564 HA LYS 71 HA LYS 71 -8.756 0.949 -4.608 565 HB2 LYS 71 HB2 LYS 71 -7.108 0.962 -6.688 566 HB3 LYS 71 HB3 LYS 71 -5.904 1.090 -5.427 567 HG2 LYS 71 HG2 LYS 71 -6.350 -1.013 -4.607 568 HG3 LYS 71 HG3 LYS 71 -7.953 -1.068 -5.352 569 HD2 LYS 71 HD2 LYS 71 -6.261 -2.475 -6.528 570 HD3 LYS 71 HD3 LYS 71 -6.997 -1.234 -7.545 571 HE2 LYS 71 HE2 LYS 71 -5.073 0.180 -7.305 572 HE3 LYS 71 HE3 LYS 71 -4.331 -0.956 -6.177 573 HZ1 LYS 71 HZ1 LYS 71 -3.537 -1.043 -8.561 574 HZ2 LYS 71 HZ2 LYS 71 -5.044 -1.725 -8.945 575 HZ3 LYS 71 HZ3 LYS 71 -4.005 -2.520 -7.872 576 H TYR 72 H TYR 72 -6.291 3.446 -4.405 577 HA TYR 72 HA TYR 72 -5.147 2.869 -1.932 578 HB2 TYR 72 HB2 TYR 72 -4.021 4.530 -3.090 579 HB3 TYR 72 HB3 TYR 72 -5.503 5.341 -3.578 580 HD1 TYR 72 HD2 TYR 72 -3.184 4.835 -0.714 581 HD2 TYR 72 HD1 TYR 72 -6.367 7.144 -2.343 582 HE1 TYR 72 HE2 TYR 72 -2.894 6.499 1.077 583 HE2 TYR 72 HE1 TYR 72 -6.084 8.809 -0.561 584 HH TYR 72 HH TYR 72 -3.387 8.902 1.475 585 H ILE 73 H ILE 73 -7.932 4.928 -2.686 586 HA ILE 73 HA ILE 73 -8.427 5.863 -0.104 587 HB ILE 73 HB ILE 73 -10.386 5.429 -2.354 588 HG12 ILE 73 HG12 ILE 73 -9.122 8.034 -1.565 589 HG13 ILE 73 HG13 ILE 73 -8.265 6.918 -2.624 590 HG21 ILE 73 HG21 ILE 73 -11.744 7.132 -1.221 591 HG22 ILE 73 HG22 ILE 73 -10.598 7.143 0.119 592 HG23 ILE 73 HG23 ILE 73 -11.535 5.688 -0.228 593 HD11 ILE 73 HD11 ILE 73 -10.163 6.978 -4.172 594 HD12 ILE 73 HD12 ILE 73 -9.420 8.559 -3.932 595 HD13 ILE 73 HD13 ILE 73 -10.947 8.170 -3.134 596 H MET 74 H MET 74 -9.989 3.166 -1.840 597 HA MET 74 HA MET 74 -11.662 2.420 0.280 598 HB2 MET 74 HB2 MET 74 -11.983 0.305 -0.884 599 HB3 MET 74 HB3 MET 74 -12.005 1.637 -2.032 600 HG2 MET 74 HG2 MET 74 -9.904 1.089 -2.877 601 HG3 MET 74 HG3 MET 74 -9.523 0.060 -1.498 602 HE1 MET 74 HE1 MET 74 -8.660 -1.716 -3.318 603 HE2 MET 74 HE2 MET 74 -9.753 -3.104 -3.243 604 HE3 MET 74 HE3 MET 74 -9.334 -2.228 -1.766 605 H LYS 75 H LYS 75 -8.356 1.420 -0.543 606 HA LYS 75 HA LYS 75 -8.010 -0.607 1.321 607 HB2 LYS 75 HB2 LYS 75 -6.148 1.406 0.107 608 HB3 LYS 75 HB3 LYS 75 -5.563 0.303 1.345 609 HG2 LYS 75 HG2 LYS 75 -5.945 -1.580 0.006 610 HG3 LYS 75 HG3 LYS 75 -6.963 -0.674 -1.119 611 HD2 LYS 75 HD2 LYS 75 -5.121 0.478 -2.016 612 HD3 LYS 75 HD3 LYS 75 -4.065 -0.017 -0.691 613 HE2 LYS 75 HE2 LYS 75 -3.684 -1.231 -2.847 614 HE3 LYS 75 HE3 LYS 75 -4.020 -2.266 -1.462 615 HZ1 LYS 75 HZ1 LYS 75 -5.196 -2.758 -3.656 616 HZ2 LYS 75 HZ2 LYS 75 -6.186 -1.436 -3.280 617 HZ3 LYS 75 HZ3 LYS 75 -6.126 -2.775 -2.238 618 H GLN 76 H GLN 76 -7.546 2.884 1.725 619 HA GLN 76 HA GLN 76 -6.547 2.843 4.340 620 HB2 GLN 76 HB2 GLN 76 -8.163 5.015 2.999 621 HB3 GLN 76 HB3 GLN 76 -7.142 5.212 4.417 622 HG2 GLN 76 HG2 GLN 76 -6.202 4.430 1.668 623 HG3 GLN 76 HG3 GLN 76 -6.060 6.026 2.398 624 HE21 GLN 76 HE21 GLN 76 -4.037 4.108 1.426 625 HE22 GLN 76 HE22 GLN 76 -2.949 3.885 2.751 626 H ARG 77 H ARG 77 -9.775 2.536 3.126 627 HA ARG 77 HA ARG 77 -11.163 3.228 5.495 628 HB2 ARG 77 HB2 ARG 77 -11.990 1.423 3.217 629 HB3 ARG 77 HB3 ARG 77 -13.068 2.015 4.473 630 HG2 ARG 77 HG2 ARG 77 -11.543 3.805 2.593 631 HG3 ARG 77 HG3 ARG 77 -13.197 3.255 2.316 632 HD2 ARG 77 HD2 ARG 77 -12.317 4.758 4.773 633 HD3 ARG 77 HD3 ARG 77 -12.993 5.534 3.343 634 HE ARG 77 HE ARG 77 -14.958 3.924 3.808 635 HH11 ARG 77 1HH1 ARG 77 -12.988 5.438 6.270 636 HH12 ARG 77 2HH1 ARG 77 -14.279 5.527 7.422 637 HH21 ARG 77 1HH2 ARG 77 -16.663 4.041 5.314 638 HH22 ARG 77 2HH2 ARG 77 -16.367 4.748 6.880 639 H LEU 78 H LEU 78 -10.795 -0.080 4.105 640 HA LEU 78 HA LEU 78 -11.585 -1.308 6.526 641 HB2 LEU 78 HB2 LEU 78 -9.747 -2.841 4.786 642 HB3 LEU 78 HB3 LEU 78 -11.223 -3.343 5.593 643 HG LEU 78 HG LEU 78 -12.300 -1.724 3.760 644 HD11 LEU 78 HD11 LEU 78 -11.145 -1.983 1.631 645 HD12 LEU 78 HD12 LEU 78 -9.808 -2.793 2.445 646 HD13 LEU 78 HD13 LEU 78 -10.144 -1.096 2.780 647 HD21 LEU 78 HD21 LEU 78 -12.848 -4.062 4.150 648 HD22 LEU 78 HD22 LEU 78 -11.398 -4.553 3.273 649 HD23 LEU 78 HD23 LEU 78 -12.702 -3.719 2.427 650 H LEU 79 H LEU 79 -8.461 -0.357 5.277 651 HA LEU 79 HA LEU 79 -6.684 -1.608 6.938 652 HB2 LEU 79 HB2 LEU 79 -5.806 -0.100 5.346 653 HB3 LEU 79 HB3 LEU 79 -6.775 1.233 5.953 654 HG LEU 79 HG LEU 79 -5.404 0.894 8.138 655 HD11 LEU 79 HD11 LEU 79 -3.583 -0.372 6.117 656 HD12 LEU 79 HD12 LEU 79 -4.348 -1.168 7.492 657 HD13 LEU 79 HD13 LEU 79 -3.146 0.092 7.762 658 HD21 LEU 79 HD21 LEU 79 -4.274 2.143 5.651 659 HD22 LEU 79 HD22 LEU 79 -3.656 2.407 7.282 660 HD23 LEU 79 HD23 LEU 79 -5.298 2.902 6.872 661 H LYS 80 H LYS 80 -8.408 1.401 7.605 662 HA LYS 80 HA LYS 80 -7.388 1.772 10.167 663 HB2 LYS 80 HB2 LYS 80 -9.550 2.928 8.565 664 HB3 LYS 80 HB3 LYS 80 -9.856 2.974 10.296 665 HG2 LYS 80 HG2 LYS 80 -7.398 4.059 8.935 666 HG3 LYS 80 HG3 LYS 80 -8.778 5.014 9.479 667 HD2 LYS 80 HD2 LYS 80 -6.890 3.403 11.203 668 HD3 LYS 80 HD3 LYS 80 -7.022 5.161 11.131 669 HE2 LYS 80 HE2 LYS 80 -9.418 4.884 11.893 670 HE3 LYS 80 HE3 LYS 80 -9.029 3.191 12.202 671 HZ1 LYS 80 HZ1 LYS 80 -7.714 5.536 13.466 672 HZ2 LYS 80 HZ2 LYS 80 -7.302 3.917 13.746 673 HZ3 LYS 80 HZ3 LYS 80 -8.829 4.498 14.206 674 H LEU 81 H LEU 81 -10.170 -0.107 9.041 675 HA LEU 81 HA LEU 81 -11.257 -0.531 11.630 676 HB2 LEU 81 HB2 LEU 81 -11.540 -2.076 9.071 677 HB3 LEU 81 HB3 LEU 81 -12.321 -2.579 10.554 678 HG LEU 81 HG LEU 81 -14.053 -1.408 9.746 679 HD11 LEU 81 HD11 LEU 81 -13.523 -0.077 11.642 680 HD12 LEU 81 HD12 LEU 81 -14.059 0.995 10.350 681 HD13 LEU 81 HD13 LEU 81 -12.341 0.853 10.725 682 HD21 LEU 81 HD21 LEU 81 -12.120 0.212 8.123 683 HD22 LEU 81 HD22 LEU 81 -13.873 0.398 8.083 684 HD23 LEU 81 HD23 LEU 81 -13.138 -1.118 7.565 685 H LEU 82 H LEU 82 -8.923 -2.363 9.681 686 HA LEU 82 HA LEU 82 -8.725 -4.403 11.703 687 HB2 LEU 82 HB2 LEU 82 -6.857 -5.273 10.269 688 HB3 LEU 82 HB3 LEU 82 -8.436 -5.194 9.518 689 HG LEU 82 HG LEU 82 -7.339 -2.793 8.776 690 HD11 LEU 82 HD11 LEU 82 -5.151 -3.388 9.667 691 HD12 LEU 82 HD12 LEU 82 -5.111 -3.308 7.902 692 HD13 LEU 82 HD13 LEU 82 -5.153 -4.874 8.718 693 HD21 LEU 82 HD21 LEU 82 -8.573 -4.185 7.303 694 HD22 LEU 82 HD22 LEU 82 -7.364 -5.467 7.399 695 HD23 LEU 82 HD23 LEU 82 -6.976 -3.950 6.590 696 H GLU 83 H GLU 83 -7.069 -1.432 10.964 697 HA GLU 83 HA GLU 83 -4.804 -1.921 12.641 698 HB2 GLU 83 HB2 GLU 83 -6.056 0.594 11.546 699 HB3 GLU 83 HB3 GLU 83 -4.641 0.626 12.588 700 HG2 GLU 83 HG2 GLU 83 -4.718 -0.969 10.052 701 HG3 GLU 83 HG3 GLU 83 -4.254 0.731 10.085 702 H ASP 84 H ASP 84 -7.878 -0.218 13.103 703 HA ASP 84 HA ASP 84 -7.208 0.411 15.855 704 HB2 ASP 84 HB2 ASP 84 -8.537 1.857 14.094 705 HB3 ASP 84 HB3 ASP 84 -9.906 0.914 14.669 706 H LYS 85 H LYS 85 -8.577 -2.088 14.154 707 HA LYS 85 HA LYS 85 -9.708 -3.968 14.661 708 HB2 LYS 85 HB2 LYS 85 -8.927 -3.217 17.482 709 HB3 LYS 85 HB3 LYS 85 -9.614 -4.769 17.014 710 HG2 LYS 85 HG2 LYS 85 -7.031 -3.632 15.962 711 HG3 LYS 85 HG3 LYS 85 -7.163 -4.838 17.252 712 HD2 LYS 85 HD2 LYS 85 -8.409 -6.290 15.607 713 HD3 LYS 85 HD3 LYS 85 -7.964 -5.127 14.358 714 HE2 LYS 85 HE2 LYS 85 -6.068 -6.732 16.072 715 HE3 LYS 85 HE3 LYS 85 -6.428 -7.013 14.370 716 HZ1 LYS 85 HZ1 LYS 85 -4.373 -5.853 14.519 717 HZ2 LYS 85 HZ2 LYS 85 -5.027 -4.670 15.544 718 HZ3 LYS 85 HZ3 LYS 85 -5.525 -4.757 13.925 719 H SER 86 H SER 86 -11.296 -1.997 14.040 720 HA SER 86 HA SER 86 -13.375 -1.731 16.085 721 HB2 SER 86 HB2 SER 86 -13.256 -0.460 13.345 722 HB3 SER 86 HB3 SER 86 -14.274 0.021 14.703 723 HG SER 86 HG SER 86 -11.733 0.013 15.507 724 H ASN 87 H ASN 87 -15.508 -2.422 15.749 725 HA ASN 87 HA ASN 87 -15.630 -4.925 14.374 726 HB2 ASN 87 HB2 ASN 87 -17.850 -5.150 15.290 727 HB3 ASN 87 HB3 ASN 87 -16.783 -4.502 16.528 728 HD21 ASN 87 HD21 ASN 87 -19.493 -3.867 14.454 729 HD22 ASN 87 HD22 ASN 87 -19.974 -2.384 15.208 730 H LEU 88 H LEU 88 -15.918 -1.924 13.105 731 HA LEU 88 HA LEU 88 -18.275 -2.101 11.567 732 HB2 LEU 88 HB2 LEU 88 -15.746 -0.531 11.112 733 HB3 LEU 88 HB3 LEU 88 -17.177 -0.375 10.112 734 HG LEU 88 HG LEU 88 -17.356 1.411 11.578 735 HD11 LEU 88 HD11 LEU 88 -18.890 -0.813 12.913 736 HD12 LEU 88 HD12 LEU 88 -19.422 0.112 11.507 737 HD13 LEU 88 HD13 LEU 88 -19.220 0.915 13.065 738 HD21 LEU 88 HD21 LEU 88 -16.514 -0.418 13.820 739 HD22 LEU 88 HD22 LEU 88 -16.977 1.274 14.004 740 HD23 LEU 88 HD23 LEU 88 -15.537 0.848 13.077 741 H LEU 89 H LEU 89 -14.987 -3.229 10.984 742 HA LEU 89 HA LEU 89 -16.052 -4.565 8.586 743 HB2 LEU 89 HB2 LEU 89 -14.213 -3.187 7.956 744 HB3 LEU 89 HB3 LEU 89 -13.214 -3.804 9.254 745 HG LEU 89 HG LEU 89 -13.606 -6.089 8.044 746 HD11 LEU 89 HD11 LEU 89 -15.182 -5.124 6.413 747 HD12 LEU 89 HD12 LEU 89 -13.815 -5.969 5.689 748 HD13 LEU 89 HD13 LEU 89 -13.839 -4.208 5.728 749 HD21 LEU 89 HD21 LEU 89 -11.523 -5.745 6.848 750 HD22 LEU 89 HD22 LEU 89 -11.469 -5.023 8.457 751 HD23 LEU 89 HD23 LEU 89 -11.697 -4.000 7.038 752 H LEU 90 H LEU 90 -15.097 -5.037 11.740 753 HA LEU 90 HA LEU 90 -14.237 -7.805 11.262 754 HB2 LEU 90 HB2 LEU 90 -13.744 -6.073 13.673 755 HB3 LEU 90 HB3 LEU 90 -13.017 -7.634 13.328 756 HG LEU 90 HG LEU 90 -12.630 -5.276 11.501 757 HD11 LEU 90 HD11 LEU 90 -11.874 -4.548 13.655 758 HD12 LEU 90 HD12 LEU 90 -10.467 -4.940 12.664 759 HD13 LEU 90 HD13 LEU 90 -11.005 -6.062 13.916 760 HD21 LEU 90 HD21 LEU 90 -10.620 -6.518 10.857 761 HD22 LEU 90 HD22 LEU 90 -12.085 -7.462 10.589 762 HD23 LEU 90 HD23 LEU 90 -11.056 -7.805 11.981 763 H TYR 91 H TYR 91 -17.087 -6.778 11.653 764 HA TYR 91 HA TYR 91 -17.866 -7.745 14.230 765 HB2 TYR 91 HB2 TYR 91 -20.149 -7.376 13.521 766 HB3 TYR 91 HB3 TYR 91 -19.162 -6.004 13.042 767 HD1 TYR 91 HD2 TYR 91 -20.749 -9.123 11.743 768 HD2 TYR 91 HD1 TYR 91 -19.094 -5.303 10.809 769 HE1 TYR 91 HE2 TYR 91 -21.591 -9.315 9.446 770 HE2 TYR 91 HE1 TYR 91 -19.930 -5.500 8.508 771 HH TYR 91 HH TYR 91 -22.258 -7.596 7.578 772 H SER 92 H SER 92 -19.533 -9.440 14.488 773 HA SER 92 HA SER 92 -18.681 -11.844 13.074 774 HB2 SER 92 HB2 SER 92 -20.421 -11.531 15.532 775 HB3 SER 92 HB3 SER 92 -19.794 -13.052 14.894 776 HG SER 92 HG SER 92 -18.505 -11.034 16.313 777 H CYS 93 H CYS 93 -20.140 -13.289 12.151 778 HA CYS 93 HA CYS 93 -22.914 -12.489 11.733 779 HB2 CYS 93 HB2 CYS 93 -22.762 -12.568 9.348 780 HB3 CYS 93 HB3 CYS 93 -21.485 -11.492 9.905 781 H ASN 94 H ASN 94 -23.841 -14.340 10.076 782 HA ASN 94 HA ASN 94 -22.698 -16.904 10.980 783 HB2 ASN 94 HB2 ASN 94 -24.944 -16.271 11.993 784 HB3 ASN 94 HB3 ASN 94 -25.620 -16.442 10.378 785 HD21 ASN 94 HD21 ASN 94 -24.398 -18.060 13.157 786 HD22 ASN 94 HD22 ASN 94 -24.800 -19.668 12.656 787 H CYS 95 H CYS 95 -21.469 -16.378 8.835 788 HA CYS 95 HA CYS 95 -22.946 -17.112 6.463 789 HB2 CYS 95 HB2 CYS 95 -20.066 -16.527 7.031 790 HB3 CYS 95 HB3 CYS 95 -20.503 -17.356 5.540 791 H LYS 96 H LYS 96 -21.597 -18.733 9.054 792 HA LYS 96 HA LYS 96 -22.052 -21.296 7.795 793 HB2 LYS 96 HB2 LYS 96 -19.841 -22.179 8.612 794 HB3 LYS 96 HB3 LYS 96 -19.735 -21.066 7.258 795 HG2 LYS 96 HG2 LYS 96 -19.145 -19.257 8.840 796 HG3 LYS 96 HG3 LYS 96 -19.148 -20.443 10.147 797 HD2 LYS 96 HD2 LYS 96 -17.368 -20.477 7.708 798 HD3 LYS 96 HD3 LYS 96 -16.879 -20.044 9.348 799 HE2 LYS 96 HE2 LYS 96 -17.378 -22.292 10.113 800 HE3 LYS 96 HE3 LYS 96 -17.955 -22.734 8.507 801 HZ1 LYS 96 HZ1 LYS 96 -15.180 -22.071 9.313 802 HZ2 LYS 96 HZ2 LYS 96 -15.670 -22.194 7.695 803 HZ3 LYS 96 HZ3 LYS 96 -15.765 -23.547 8.714 804 H PHE 97 H PHE 97 -20.869 -19.602 10.652 805 HA PHE 97 HA PHE 97 -22.943 -20.695 12.291 806 HB2 PHE 97 HB2 PHE 97 -21.545 -21.839 13.895 807 HB3 PHE 97 HB3 PHE 97 -21.184 -22.513 12.311 808 HD1 PHE 97 HD1 PHE 97 -19.987 -20.188 14.895 809 HD2 PHE 97 HD2 PHE 97 -18.984 -22.435 11.437 810 HE1 PHE 97 HE1 PHE 97 -17.641 -19.661 15.270 811 HE2 PHE 97 HE2 PHE 97 -16.603 -21.928 11.800 812 HZ PHE 97 HZ PHE 97 -15.920 -20.539 13.715 813 H SER 98 H SER 98 -22.280 -19.917 14.713 814 HA SER 98 HA SER 98 -20.902 -17.327 14.498 815 HB2 SER 98 HB2 SER 98 -23.395 -17.885 16.089 816 HB3 SER 98 HB3 SER 98 -22.517 -16.358 16.034 817 HG SER 98 HG SER 98 -22.943 -16.384 13.719 818 H LYS 99 H LYS 99 -20.450 -16.465 16.766 819 HA LYS 99 HA LYS 99 -19.419 -16.608 18.762 820 HB2 LYS 99 HB2 LYS 99 -20.376 -19.474 18.839 821 HB3 LYS 99 HB3 LYS 99 -19.697 -18.573 20.190 822 HG2 LYS 99 HG2 LYS 99 -22.318 -18.138 18.806 823 HG3 LYS 99 HG3 LYS 99 -22.009 -18.497 20.510 824 HD2 LYS 99 HD2 LYS 99 -20.843 -16.319 20.706 825 HD3 LYS 99 HD3 LYS 99 -21.297 -15.966 19.036 826 HE2 LYS 99 HE2 LYS 99 -23.670 -16.204 19.686 827 HE3 LYS 99 HE3 LYS 99 -23.155 -16.417 21.359 828 HZ1 LYS 99 HZ1 LYS 99 -22.569 -14.016 19.709 829 HZ2 LYS 99 HZ2 LYS 99 -22.214 -14.220 21.354 830 HZ3 LYS 99 HZ3 LYS 99 -23.828 -14.120 20.842 831 H LYS 100 H LYS 100 -17.950 -16.775 16.535 832 HA LYS 100 HA LYS 100 -15.887 -18.752 16.800 833 HB2 LYS 100 HB2 LYS 100 -16.398 -17.475 14.683 834 HB3 LYS 100 HB3 LYS 100 -15.759 -16.035 15.459 835 HG2 LYS 100 HG2 LYS 100 -14.066 -18.471 15.285 836 HG3 LYS 100 HG3 LYS 100 -14.281 -17.464 13.861 837 HD2 LYS 100 HD2 LYS 100 -13.213 -16.558 16.533 838 HD3 LYS 100 HD3 LYS 100 -12.251 -16.869 15.088 839 HE2 LYS 100 HE2 LYS 100 -13.776 -15.116 13.970 840 HE3 LYS 100 HE3 LYS 100 -14.203 -14.659 15.620 841 HZ1 LYS 100 HZ1 LYS 100 -11.855 -14.264 16.066 842 HZ2 LYS 100 HZ2 LYS 100 -12.396 -13.312 14.781 843 HZ3 LYS 100 HZ3 LYS 100 -11.459 -14.692 14.470 844 H LYS 101 H LYS 101 -15.946 -15.257 17.311 845 HA LYS 101 HA LYS 101 -13.850 -15.018 19.078 846 HB2 LYS 101 HB2 LYS 101 -15.043 -13.129 17.993 847 HB3 LYS 101 HB3 LYS 101 -16.422 -13.424 19.044 848 HG2 LYS 101 HG2 LYS 101 -15.022 -11.567 19.817 849 HG3 LYS 101 HG3 LYS 101 -15.101 -12.887 20.991 850 HD2 LYS 101 HD2 LYS 101 -12.964 -13.746 19.950 851 HD3 LYS 101 HD3 LYS 101 -12.859 -12.198 19.114 852 HE2 LYS 101 HE2 LYS 101 -12.845 -11.022 21.246 853 HE3 LYS 101 HE3 LYS 101 -13.017 -12.550 22.107 854 HZ1 LYS 101 HZ1 LYS 101 -10.738 -11.894 22.151 855 HZ2 LYS 101 HZ2 LYS 101 -10.703 -11.676 20.472 856 HZ3 LYS 101 HZ3 LYS 101 -10.871 -13.236 21.118 Start of MODEL 5 1 H MET 1 H MET 1 0.242 1.282 3.109 2 HA MET 1 HA MET 1 2.319 0.492 3.949 3 HB2 MET 1 HB2 MET 1 -0.022 -1.343 4.509 4 HB3 MET 1 HB3 MET 1 1.471 -1.374 5.434 5 HG2 MET 1 HG2 MET 1 -0.114 -0.108 6.657 6 HG3 MET 1 HG3 MET 1 1.088 1.010 6.019 7 HE1 MET 1 HE1 MET 1 -2.052 3.265 5.937 8 HE2 MET 1 HE2 MET 1 -0.345 3.146 6.363 9 HE3 MET 1 HE3 MET 1 -1.531 2.132 7.186 10 H LYS 2 H LYS 2 3.302 -1.843 4.606 11 HA LYS 2 HA LYS 2 3.989 -3.057 2.074 12 HB2 LYS 2 HB2 LYS 2 5.562 -4.435 3.440 13 HB3 LYS 2 HB3 LYS 2 5.814 -2.703 3.575 14 HG2 LYS 2 HG2 LYS 2 4.635 -2.715 5.729 15 HG3 LYS 2 HG3 LYS 2 4.441 -4.464 5.593 16 HD2 LYS 2 HD2 LYS 2 6.342 -4.017 6.997 17 HD3 LYS 2 HD3 LYS 2 6.920 -4.667 5.461 18 HE2 LYS 2 HE2 LYS 2 7.256 -2.273 4.718 19 HE3 LYS 2 HE3 LYS 2 6.958 -1.803 6.392 20 HZ1 LYS 2 HZ1 LYS 2 8.814 -3.391 6.981 21 HZ2 LYS 2 HZ2 LYS 2 9.275 -1.973 6.174 22 HZ3 LYS 2 HZ3 LYS 2 9.184 -3.438 5.326 23 H GLY 3 H GLY 3 2.778 -4.565 1.212 24 HA2 GLY 3 HA2 GLY 3 1.680 -6.700 1.272 25 HA3 GLY 3 HA3 GLY 3 1.350 -6.439 2.983 26 H ASP 4 H ASP 4 -0.279 -6.803 0.319 27 HA ASP 4 HA ASP 4 -1.727 -4.344 0.102 28 HB2 ASP 4 HB2 ASP 4 -1.440 -5.925 -1.807 29 HB3 ASP 4 HB3 ASP 4 -2.543 -7.037 -0.994 30 H ILE 5 H ILE 5 -3.758 -3.853 0.683 31 HA ILE 5 HA ILE 5 -4.549 -4.659 3.241 32 HB ILE 5 HB ILE 5 -5.050 -2.512 1.670 33 HG12 ILE 5 HG12 ILE 5 -5.122 -2.577 4.114 34 HG13 ILE 5 HG13 ILE 5 -6.509 -1.715 3.460 35 HG21 ILE 5 HG21 ILE 5 -7.591 -4.129 1.671 36 HG22 ILE 5 HG22 ILE 5 -6.704 -3.511 0.276 37 HG23 ILE 5 HG23 ILE 5 -7.529 -2.396 1.363 38 HD11 ILE 5 HD11 ILE 5 -7.179 -3.100 5.300 39 HD12 ILE 5 HD12 ILE 5 -6.484 -4.524 4.526 40 HD13 ILE 5 HD13 ILE 5 -7.880 -3.721 3.805 41 H GLU 6 H GLU 6 -5.545 -5.753 0.054 42 HA GLU 6 HA GLU 6 -8.019 -6.877 0.905 43 HB2 GLU 6 HB2 GLU 6 -6.336 -7.296 -1.564 44 HB3 GLU 6 HB3 GLU 6 -7.889 -8.091 -1.317 45 HG2 GLU 6 HG2 GLU 6 -9.041 -6.017 -1.281 46 HG3 GLU 6 HG3 GLU 6 -7.533 -5.109 -1.217 47 H HIS 7 H HIS 7 -4.731 -8.055 0.663 48 HA HIS 7 HA HIS 7 -5.285 -10.771 1.178 49 HB2 HIS 7 HB2 HIS 7 -3.066 -9.845 0.408 50 HB3 HIS 7 HB3 HIS 7 -2.815 -9.268 2.053 51 HD1 HIS 7 HD1 HIS 7 -1.417 -10.834 3.400 52 HD2 HIS 7 HD2 HIS 7 -3.654 -12.809 0.502 53 HE1 HIS 7 HE1 HIS 7 -0.828 -13.286 3.591 54 H LYS 8 H LYS 8 -4.767 -7.977 3.260 55 HA LYS 8 HA LYS 8 -4.779 -9.338 5.738 56 HB2 LYS 8 HB2 LYS 8 -5.988 -6.606 5.427 57 HB3 LYS 8 HB3 LYS 8 -5.029 -7.239 6.752 58 HG2 LYS 8 HG2 LYS 8 -4.009 -6.480 4.026 59 HG3 LYS 8 HG3 LYS 8 -3.816 -5.550 5.509 60 HD2 LYS 8 HD2 LYS 8 -2.566 -7.486 6.471 61 HD3 LYS 8 HD3 LYS 8 -2.644 -8.250 4.876 62 HE2 LYS 8 HE2 LYS 8 -1.412 -6.430 3.889 63 HE3 LYS 8 HE3 LYS 8 -1.446 -5.528 5.404 64 HZ1 LYS 8 HZ1 LYS 8 -0.040 -8.104 4.931 65 HZ2 LYS 8 HZ2 LYS 8 -0.108 -7.293 6.417 66 HZ3 LYS 8 HZ3 LYS 8 0.687 -6.584 5.103 67 H VAL 9 H VAL 9 -7.387 -7.770 3.903 68 HA VAL 9 HA VAL 9 -9.503 -8.228 5.642 69 HB VAL 9 HB VAL 9 -9.637 -8.290 2.618 70 HG11 VAL 9 HG11 VAL 9 -11.670 -9.137 3.623 71 HG12 VAL 9 HG12 VAL 9 -11.964 -7.537 2.947 72 HG13 VAL 9 HG13 VAL 9 -11.762 -7.734 4.688 73 HG21 VAL 9 HG21 VAL 9 -9.943 -5.951 4.494 74 HG22 VAL 9 HG22 VAL 9 -10.104 -5.919 2.738 75 HG23 VAL 9 HG23 VAL 9 -8.541 -6.269 3.474 76 H TYR 10 H TYR 10 -8.340 -10.302 2.992 77 HA TYR 10 HA TYR 10 -10.283 -12.311 3.345 78 HB2 TYR 10 HB2 TYR 10 -7.482 -12.690 2.266 79 HB3 TYR 10 HB3 TYR 10 -8.868 -13.732 1.980 80 HD1 TYR 10 HD2 TYR 10 -10.687 -11.073 1.644 81 HD2 TYR 10 HD1 TYR 10 -7.148 -12.586 -0.170 82 HE1 TYR 10 HE2 TYR 10 -11.196 -9.800 -0.398 83 HE2 TYR 10 HE1 TYR 10 -7.644 -11.313 -2.213 84 HH TYR 10 HH TYR 10 -9.932 -8.844 -2.338 85 H GLN 11 H GLN 11 -7.072 -11.838 4.693 86 HA GLN 11 HA GLN 11 -6.593 -14.314 5.771 87 HB2 GLN 11 HB2 GLN 11 -5.662 -11.586 6.461 88 HB3 GLN 11 HB3 GLN 11 -5.289 -12.904 7.563 89 HG2 GLN 11 HG2 GLN 11 -4.474 -12.608 4.691 90 HG3 GLN 11 HG3 GLN 11 -3.441 -12.671 6.120 91 HE21 GLN 11 HE21 GLN 11 -3.276 -14.680 7.254 92 HE22 GLN 11 HE22 GLN 11 -3.515 -16.174 6.417 93 H LEU 12 H LEU 12 -8.272 -11.623 7.319 94 HA LEU 12 HA LEU 12 -8.597 -13.259 9.694 95 HB2 LEU 12 HB2 LEU 12 -9.795 -10.989 10.408 96 HB3 LEU 12 HB3 LEU 12 -8.076 -11.255 10.538 97 HG LEU 12 HG LEU 12 -7.935 -10.157 8.205 98 HD11 LEU 12 HD11 LEU 12 -9.703 -8.516 7.772 99 HD12 LEU 12 HD12 LEU 12 -10.641 -9.179 9.111 100 HD13 LEU 12 HD13 LEU 12 -10.303 -10.172 7.689 101 HD21 LEU 12 HD21 LEU 12 -8.674 -8.543 10.645 102 HD22 LEU 12 HD22 LEU 12 -7.818 -7.940 9.226 103 HD23 LEU 12 HD23 LEU 12 -7.069 -9.162 10.255 104 H LEU 13 H LEU 13 -10.564 -11.782 7.186 105 HA LEU 13 HA LEU 13 -13.053 -12.264 8.419 106 HB2 LEU 13 HB2 LEU 13 -12.301 -11.914 5.538 107 HB3 LEU 13 HB3 LEU 13 -13.960 -12.132 6.063 108 HG LEU 13 HG LEU 13 -12.118 -9.838 6.669 109 HD11 LEU 13 HD11 LEU 13 -13.908 -8.546 5.637 110 HD12 LEU 13 HD12 LEU 13 -14.833 -10.025 5.378 111 HD13 LEU 13 HD13 LEU 13 -13.298 -9.786 4.541 112 HD21 LEU 13 HD21 LEU 13 -13.258 -10.466 8.731 113 HD22 LEU 13 HD22 LEU 13 -14.809 -10.441 7.890 114 HD23 LEU 13 HD23 LEU 13 -13.890 -8.949 8.094 115 H LYS 14 H LYS 14 -11.220 -14.209 6.078 116 HA LYS 14 HA LYS 14 -13.158 -16.244 5.856 117 HB2 LYS 14 HB2 LYS 14 -11.516 -17.556 4.767 118 HB3 LYS 14 HB3 LYS 14 -11.165 -15.892 4.337 119 HG2 LYS 14 HG2 LYS 14 -9.073 -16.755 4.737 120 HG3 LYS 14 HG3 LYS 14 -9.464 -15.996 6.280 121 HD2 LYS 14 HD2 LYS 14 -10.032 -18.116 7.249 122 HD3 LYS 14 HD3 LYS 14 -9.883 -18.925 5.688 123 HE2 LYS 14 HE2 LYS 14 -7.579 -17.481 6.970 124 HE3 LYS 14 HE3 LYS 14 -7.946 -19.169 7.329 125 HZ1 LYS 14 HZ1 LYS 14 -6.292 -18.942 5.577 126 HZ2 LYS 14 HZ2 LYS 14 -7.388 -18.072 4.622 127 HZ3 LYS 14 HZ3 LYS 14 -7.693 -19.697 4.995 128 H ASP 15 H ASP 15 -10.886 -15.461 8.280 129 HA ASP 15 HA ASP 15 -10.780 -18.030 9.547 130 HB2 ASP 15 HB2 ASP 15 -8.936 -16.434 9.706 131 HB3 ASP 15 HB3 ASP 15 -9.980 -15.283 10.520 132 H GLN 16 H GLN 16 -12.449 -14.970 10.139 133 HA GLN 16 HA GLN 16 -13.734 -15.757 12.547 134 HB2 GLN 16 HB2 GLN 16 -14.912 -13.747 10.641 135 HB3 GLN 16 HB3 GLN 16 -15.006 -13.785 12.395 136 HG2 GLN 16 HG2 GLN 16 -12.329 -13.595 11.911 137 HG3 GLN 16 HG3 GLN 16 -13.036 -12.620 10.628 138 HE21 GLN 16 HE21 GLN 16 -12.480 -10.680 11.360 139 HE22 GLN 16 HE22 GLN 16 -13.078 -9.967 12.816 140 H GLY 17 H GLY 17 -14.305 -16.494 9.284 141 HA2 GLY 17 HA2 GLY 17 -15.766 -18.362 8.809 142 HA3 GLY 17 HA3 GLY 17 -16.874 -17.730 10.018 143 H CYS 18 H CYS 18 -15.189 -15.855 7.540 144 HA CYS 18 HA CYS 18 -17.775 -15.639 6.126 145 HB2 CYS 18 HB2 CYS 18 -16.831 -13.546 7.416 146 HB3 CYS 18 HB3 CYS 18 -15.764 -13.414 6.018 147 H GLU 19 H GLU 19 -17.719 -16.165 3.994 148 HA GLU 19 HA GLU 19 -15.100 -15.904 2.639 149 HB2 GLU 19 HB2 GLU 19 -15.613 -17.738 1.209 150 HB3 GLU 19 HB3 GLU 19 -15.942 -18.278 2.849 151 HG2 GLU 19 HG2 GLU 19 -18.046 -17.278 0.949 152 HG3 GLU 19 HG3 GLU 19 -17.633 -18.972 1.161 153 H ASP 20 H ASP 20 -17.796 -14.338 3.052 154 HA ASP 20 HA ASP 20 -18.498 -13.937 0.247 155 HB2 ASP 20 HB2 ASP 20 -20.233 -14.628 2.016 156 HB3 ASP 20 HB3 ASP 20 -20.103 -12.974 2.608 157 H PHE 21 H PHE 21 -16.700 -12.544 -0.110 158 HA PHE 21 HA PHE 21 -17.314 -9.784 0.180 159 HB2 PHE 21 HB2 PHE 21 -15.088 -9.251 1.367 160 HB3 PHE 21 HB3 PHE 21 -16.428 -9.818 2.355 161 HD1 PHE 21 HD1 PHE 21 -13.181 -10.767 0.876 162 HD2 PHE 21 HD2 PHE 21 -16.324 -11.869 3.520 163 HE1 PHE 21 HE1 PHE 21 -11.779 -12.571 1.794 164 HE2 PHE 21 HE2 PHE 21 -14.934 -13.664 4.435 165 HZ PHE 21 HZ PHE 21 -12.659 -14.023 3.582 166 H GLY 22 H GLY 22 -15.880 -8.434 -1.054 167 HA2 GLY 22 HA2 GLY 22 -13.588 -9.394 -2.385 168 HA3 GLY 22 HA3 GLY 22 -14.987 -9.622 -3.426 169 H THR 23 H THR 23 -12.876 -7.961 -4.137 170 HA THR 23 HA THR 23 -13.754 -5.230 -3.615 171 HB THR 23 HB THR 23 -11.670 -4.895 -5.255 172 HG1 THR 23 HG1 THR 23 -10.175 -6.710 -4.362 173 HG21 THR 23 HG21 THR 23 -10.262 -4.677 -3.287 174 HG22 THR 23 HG22 THR 23 -11.396 -5.646 -2.349 175 HG23 THR 23 HG23 THR 23 -11.881 -4.061 -2.949 176 H LYS 24 H LYS 24 -14.391 -3.793 -5.235 177 HA LYS 24 HA LYS 24 -14.459 -4.807 -7.974 178 HB2 LYS 24 HB2 LYS 24 -16.713 -4.003 -8.380 179 HB3 LYS 24 HB3 LYS 24 -16.721 -5.187 -7.088 180 HG2 LYS 24 HG2 LYS 24 -18.179 -3.604 -6.284 181 HG3 LYS 24 HG3 LYS 24 -16.669 -3.104 -5.530 182 HD2 LYS 24 HD2 LYS 24 -16.399 -1.299 -7.011 183 HD3 LYS 24 HD3 LYS 24 -17.594 -1.940 -8.142 184 HE2 LYS 24 HE2 LYS 24 -19.388 -1.414 -6.686 185 HE3 LYS 24 HE3 LYS 24 -18.297 -1.103 -5.340 186 HZ1 LYS 24 HZ1 LYS 24 -19.253 0.908 -6.459 187 HZ2 LYS 24 HZ2 LYS 24 -18.302 0.532 -7.809 188 HZ3 LYS 24 HZ3 LYS 24 -17.562 0.886 -6.330 189 H CYS 25 H CYS 25 -14.188 -3.257 -9.551 190 HA CYS 25 HA CYS 25 -14.078 -0.469 -8.657 191 HB2 CYS 25 HB2 CYS 25 -12.100 -0.116 -10.166 192 HB3 CYS 25 HB3 CYS 25 -11.770 -1.085 -8.735 193 HG CYS 25 HG CYS 25 -10.361 -1.993 -11.065 194 H VAL 26 H VAL 26 -16.134 -0.275 -9.565 195 HA VAL 26 HA VAL 26 -16.373 -0.705 -12.440 196 HB VAL 26 HB VAL 26 -18.234 -1.472 -11.001 197 HG11 VAL 26 HG11 VAL 26 -18.578 1.452 -10.362 198 HG12 VAL 26 HG12 VAL 26 -18.124 0.172 -9.237 199 HG13 VAL 26 HG13 VAL 26 -19.733 0.180 -9.961 200 HG21 VAL 26 HG21 VAL 26 -20.054 -0.505 -12.300 201 HG22 VAL 26 HG22 VAL 26 -18.664 -0.855 -13.328 202 HG23 VAL 26 HG23 VAL 26 -18.997 0.804 -12.829 203 H ILE 27 H ILE 27 -16.573 0.943 -13.903 204 HA ILE 27 HA ILE 27 -15.544 3.469 -13.070 205 HB ILE 27 HB ILE 27 -16.610 2.531 -15.723 206 HG12 ILE 27 HG12 ILE 27 -13.828 3.249 -14.766 207 HG13 ILE 27 HG13 ILE 27 -14.440 1.610 -14.980 208 HG21 ILE 27 HG21 ILE 27 -15.345 5.190 -15.080 209 HG22 ILE 27 HG22 ILE 27 -17.063 4.935 -15.379 210 HG23 ILE 27 HG23 ILE 27 -15.889 4.640 -16.668 211 HD11 ILE 27 HD11 ILE 27 -13.020 2.304 -16.833 212 HD12 ILE 27 HD12 ILE 27 -14.103 3.658 -17.158 213 HD13 ILE 27 HD13 ILE 27 -14.674 2.002 -17.368 214 H GLU 28 H GLU 28 -16.548 5.128 -12.367 215 HA GLU 28 HA GLU 28 -19.450 5.299 -12.619 216 HB2 GLU 28 HB2 GLU 28 -17.515 6.800 -10.842 217 HB3 GLU 28 HB3 GLU 28 -19.264 7.027 -10.849 218 HG2 GLU 28 HG2 GLU 28 -19.489 4.610 -10.301 219 HG3 GLU 28 HG3 GLU 28 -17.743 4.554 -10.085 220 H GLU 29 H GLU 29 -19.471 5.896 -14.751 221 HA GLU 29 HA GLU 29 -18.049 8.227 -15.659 222 HB2 GLU 29 HB2 GLU 29 -19.249 7.797 -17.811 223 HB3 GLU 29 HB3 GLU 29 -18.335 6.415 -17.223 224 HG2 GLU 29 HG2 GLU 29 -20.506 5.571 -16.227 225 HG3 GLU 29 HG3 GLU 29 -21.307 6.819 -17.179 226 H VAL 30 H VAL 30 -18.710 10.214 -15.349 227 HA VAL 30 HA VAL 30 -21.320 10.697 -14.226 228 HB VAL 30 HB VAL 30 -19.166 12.705 -14.911 229 HG11 VAL 30 HG11 VAL 30 -21.498 12.862 -13.014 230 HG12 VAL 30 HG12 VAL 30 -21.343 13.716 -14.550 231 HG13 VAL 30 HG13 VAL 30 -20.252 14.091 -13.215 232 HG21 VAL 30 HG21 VAL 30 -18.473 12.528 -12.578 233 HG22 VAL 30 HG22 VAL 30 -18.298 10.985 -13.414 234 HG23 VAL 30 HG23 VAL 30 -19.655 11.247 -12.319 235 H LYS 31 H LYS 31 -22.721 10.250 -15.893 236 HA LYS 31 HA LYS 31 -22.438 11.491 -18.465 237 HB2 LYS 31 HB2 LYS 31 -23.435 9.240 -18.174 238 HB3 LYS 31 HB3 LYS 31 -24.786 9.967 -17.316 239 HG2 LYS 31 HG2 LYS 31 -25.490 11.130 -19.286 240 HG3 LYS 31 HG3 LYS 31 -24.047 10.615 -20.160 241 HD2 LYS 31 HD2 LYS 31 -25.949 9.258 -20.813 242 HD3 LYS 31 HD3 LYS 31 -24.767 8.275 -19.948 243 HE2 LYS 31 HE2 LYS 31 -26.105 8.474 -17.906 244 HE3 LYS 31 HE3 LYS 31 -27.291 9.446 -18.776 245 HZ1 LYS 31 HZ1 LYS 31 -28.061 7.201 -18.664 246 HZ2 LYS 31 HZ2 LYS 31 -26.601 6.603 -19.287 247 HZ3 LYS 31 HZ3 LYS 31 -27.624 7.523 -20.273 248 H SER 32 H SER 32 -22.393 13.681 -17.930 249 HA SER 32 HA SER 32 -25.008 14.897 -17.763 250 HB2 SER 32 HB2 SER 32 -24.276 14.556 -15.376 251 HB3 SER 32 HB3 SER 32 -22.898 15.603 -15.708 252 HG SER 32 HG SER 32 -24.348 17.002 -14.957 253 H SER 33 H SER 33 -25.030 16.996 -18.555 254 HA SER 33 HA SER 33 -24.383 18.755 -19.837 255 HB2 SER 33 HB2 SER 33 -21.681 18.342 -18.538 256 HB3 SER 33 HB3 SER 33 -22.271 19.824 -19.290 257 HG SER 33 HG SER 33 -24.083 19.151 -17.520 258 H HIS 34 H HIS 34 -24.277 16.183 -21.023 259 HA HIS 34 HA HIS 34 -21.871 16.276 -22.675 260 HB2 HIS 34 HB2 HIS 34 -22.493 13.974 -23.390 261 HB3 HIS 34 HB3 HIS 34 -22.219 14.117 -21.662 262 HD1 HIS 34 HD1 HIS 34 -24.707 12.990 -24.116 263 HD2 HIS 34 HD2 HIS 34 -24.666 14.082 -20.107 264 HE1 HIS 34 HE1 HIS 34 -26.842 12.088 -23.112 265 H LYS 35 H LYS 35 -22.649 18.115 -23.841 266 HA LYS 35 HA LYS 35 -24.728 17.551 -25.801 267 HB2 LYS 35 HB2 LYS 35 -24.177 19.853 -26.639 268 HB3 LYS 35 HB3 LYS 35 -24.764 19.794 -24.984 269 HG2 LYS 35 HG2 LYS 35 -22.464 19.999 -24.166 270 HG3 LYS 35 HG3 LYS 35 -21.888 20.079 -25.833 271 HD2 LYS 35 HD2 LYS 35 -23.285 22.100 -26.167 272 HD3 LYS 35 HD3 LYS 35 -23.725 22.036 -24.459 273 HE2 LYS 35 HE2 LYS 35 -21.402 22.306 -23.824 274 HE3 LYS 35 HE3 LYS 35 -20.914 22.290 -25.518 275 HZ1 LYS 35 HZ1 LYS 35 -20.989 24.532 -24.829 276 HZ2 LYS 35 HZ2 LYS 35 -22.514 24.356 -24.115 277 HZ3 LYS 35 HZ3 LYS 35 -22.357 24.294 -25.804 278 H THR 36 H THR 36 -24.252 16.539 -27.629 279 HA THR 36 HA THR 36 -21.597 16.696 -28.767 280 HB THR 36 HB THR 36 -21.312 15.171 -26.859 281 HG1 THR 36 HG1 THR 36 -19.951 14.128 -28.043 282 HG21 THR 36 HG21 THR 36 -22.393 12.982 -26.850 283 HG22 THR 36 HG22 THR 36 -23.334 13.439 -28.271 284 HG23 THR 36 HG23 THR 36 -23.575 14.289 -26.743 285 H LEU 37 H LEU 37 -21.613 14.371 -30.258 286 HA LEU 37 HA LEU 37 -23.981 14.782 -31.957 287 HB2 LEU 37 HB2 LEU 37 -21.135 14.260 -32.800 288 HB3 LEU 37 HB3 LEU 37 -22.502 14.333 -33.893 289 HG LEU 37 HG LEU 37 -21.539 16.628 -32.184 290 HD11 LEU 37 HD11 LEU 37 -21.211 16.119 -35.133 291 HD12 LEU 37 HD12 LEU 37 -19.932 16.065 -33.919 292 HD13 LEU 37 HD13 LEU 37 -20.745 17.588 -34.277 293 HD21 LEU 37 HD21 LEU 37 -23.053 17.969 -33.565 294 HD22 LEU 37 HD22 LEU 37 -23.924 16.740 -32.648 295 HD23 LEU 37 HD23 LEU 37 -23.616 16.503 -34.368 296 H LEU 38 H LEU 38 -22.671 12.585 -29.967 297 HA LEU 38 HA LEU 38 -23.864 10.404 -31.504 298 HB2 LEU 38 HB2 LEU 38 -22.158 8.833 -30.992 299 HB3 LEU 38 HB3 LEU 38 -21.380 10.232 -31.686 300 HG LEU 38 HG LEU 38 -21.402 9.572 -28.728 301 HD11 LEU 38 HD11 LEU 38 -20.133 7.941 -30.027 302 HD12 LEU 38 HD12 LEU 38 -19.072 8.965 -29.060 303 HD13 LEU 38 HD13 LEU 38 -19.232 9.249 -30.793 304 HD21 LEU 38 HD21 LEU 38 -21.186 11.948 -29.164 305 HD22 LEU 38 HD22 LEU 38 -19.871 11.633 -30.297 306 HD23 LEU 38 HD23 LEU 38 -19.671 11.266 -28.584 307 H ASN 39 H ASN 39 -23.781 8.371 -29.812 308 HA ASN 39 HA ASN 39 -25.887 8.558 -28.139 309 HB2 ASN 39 HB2 ASN 39 -24.712 6.474 -28.689 310 HB3 ASN 39 HB3 ASN 39 -23.368 6.962 -27.655 311 HD21 ASN 39 HD21 ASN 39 -23.546 6.705 -25.445 312 HD22 ASN 39 HD22 ASN 39 -24.870 5.880 -24.696 313 H THR 40 H THR 40 -22.585 8.607 -26.868 314 HA THR 40 HA THR 40 -23.346 10.707 -24.978 315 HB THR 40 HB THR 40 -21.672 9.444 -23.389 316 HG1 THR 40 HG1 THR 40 -21.770 7.198 -23.601 317 HG21 THR 40 HG21 THR 40 -24.533 8.538 -23.734 318 HG22 THR 40 HG22 THR 40 -24.000 9.956 -22.831 319 HG23 THR 40 HG23 THR 40 -23.561 8.339 -22.277 320 H GLU 41 H GLU 41 -21.319 11.721 -24.036 321 HA GLU 41 HA GLU 41 -19.402 12.355 -25.945 322 HB2 GLU 41 HB2 GLU 41 -19.438 12.487 -22.949 323 HB3 GLU 41 HB3 GLU 41 -17.967 12.874 -23.831 324 HG2 GLU 41 HG2 GLU 41 -20.606 14.201 -24.372 325 HG3 GLU 41 HG3 GLU 41 -19.422 14.822 -23.222 326 H LEU 42 H LEU 42 -18.543 10.677 -27.007 327 HA LEU 42 HA LEU 42 -17.612 8.285 -26.452 328 HB2 LEU 42 HB2 LEU 42 -17.200 9.496 -28.566 329 HB3 LEU 42 HB3 LEU 42 -15.882 10.361 -27.798 330 HG LEU 42 HG LEU 42 -14.684 8.219 -27.478 331 HD11 LEU 42 HD11 LEU 42 -16.589 6.716 -27.379 332 HD12 LEU 42 HD12 LEU 42 -15.483 6.217 -28.659 333 HD13 LEU 42 HD13 LEU 42 -16.978 7.063 -29.062 334 HD21 LEU 42 HD21 LEU 42 -14.210 9.579 -29.433 335 HD22 LEU 42 HD22 LEU 42 -15.528 8.807 -30.314 336 HD23 LEU 42 HD23 LEU 42 -14.114 7.865 -29.842 337 H HIS 43 H HIS 43 -15.658 11.158 -25.588 338 HA HIS 43 HA HIS 43 -14.408 9.507 -23.499 339 HB2 HIS 43 HB2 HIS 43 -12.878 10.688 -25.133 340 HB3 HIS 43 HB3 HIS 43 -13.457 12.211 -24.468 341 HD1 HIS 43 HD1 HIS 43 -12.140 13.097 -22.506 342 HD2 HIS 43 HD2 HIS 43 -11.600 9.011 -23.079 343 HE1 HIS 43 HE1 HIS 43 -10.379 12.371 -20.845 344 H LEU 44 H LEU 44 -16.075 9.623 -22.021 345 HA LEU 44 HA LEU 44 -17.168 12.218 -21.288 346 HB2 LEU 44 HB2 LEU 44 -18.649 10.267 -21.648 347 HB3 LEU 44 HB3 LEU 44 -17.854 9.434 -20.330 348 HG LEU 44 HG LEU 44 -18.671 11.209 -18.781 349 HD11 LEU 44 HD11 LEU 44 -20.445 12.699 -19.525 350 HD12 LEU 44 HD12 LEU 44 -20.280 12.096 -21.174 351 HD13 LEU 44 HD13 LEU 44 -18.960 12.998 -20.428 352 HD21 LEU 44 HD21 LEU 44 -19.843 9.093 -18.996 353 HD22 LEU 44 HD22 LEU 44 -20.772 9.725 -20.355 354 HD23 LEU 44 HD23 LEU 44 -20.986 10.411 -18.744 355 H THR 45 H THR 45 -17.202 12.944 -19.071 356 HA THR 45 HA THR 45 -14.813 12.546 -17.617 357 HB THR 45 HB THR 45 -17.387 13.554 -16.425 358 HG1 THR 45 HG1 THR 45 -17.290 14.962 -18.052 359 HG21 THR 45 HG21 THR 45 -15.541 13.258 -14.878 360 HG22 THR 45 HG22 THR 45 -15.865 14.975 -15.111 361 HG23 THR 45 HG23 THR 45 -14.488 14.221 -15.916 362 H LYS 46 H LYS 46 -14.435 10.494 -17.041 363 HA LYS 46 HA LYS 46 -16.515 9.117 -15.511 364 HB2 LYS 46 HB2 LYS 46 -16.289 7.265 -16.753 365 HB3 LYS 46 HB3 LYS 46 -15.526 8.328 -17.920 366 HG2 LYS 46 HG2 LYS 46 -14.069 6.702 -15.855 367 HG3 LYS 46 HG3 LYS 46 -14.298 6.239 -17.540 368 HD2 LYS 46 HD2 LYS 46 -12.958 8.035 -18.305 369 HD3 LYS 46 HD3 LYS 46 -12.950 8.795 -16.707 370 HE2 LYS 46 HE2 LYS 46 -10.890 7.753 -16.768 371 HE3 LYS 46 HE3 LYS 46 -11.907 6.578 -15.926 372 HZ1 LYS 46 HZ1 LYS 46 -10.621 5.419 -17.562 373 HZ2 LYS 46 HZ2 LYS 46 -11.066 6.504 -18.782 374 HZ3 LYS 46 HZ3 LYS 46 -12.225 5.462 -18.118 375 H TYR 47 H TYR 47 -15.850 7.774 -13.792 376 HA TYR 47 HA TYR 47 -13.173 8.394 -12.759 377 HB2 TYR 47 HB2 TYR 47 -15.819 8.543 -11.304 378 HB3 TYR 47 HB3 TYR 47 -14.267 8.517 -10.475 379 HD1 TYR 47 HD2 TYR 47 -16.507 10.527 -12.621 380 HD2 TYR 47 HD1 TYR 47 -12.821 10.428 -10.485 381 HE1 TYR 47 HE2 TYR 47 -16.308 12.961 -12.850 382 HE2 TYR 47 HE1 TYR 47 -12.621 12.866 -10.709 383 HH TYR 47 HH TYR 47 -15.222 14.825 -11.917 384 H TYR 48 H TYR 48 -12.288 6.824 -11.342 385 HA TYR 48 HA TYR 48 -13.317 4.154 -11.829 386 HB2 TYR 48 HB2 TYR 48 -10.747 5.297 -10.873 387 HB3 TYR 48 HB3 TYR 48 -11.169 3.688 -10.296 388 HD1 TYR 48 HD2 TYR 48 -12.055 5.037 -13.629 389 HD2 TYR 48 HD1 TYR 48 -9.489 2.454 -11.428 390 HE1 TYR 48 HE2 TYR 48 -11.242 4.059 -15.733 391 HE2 TYR 48 HE1 TYR 48 -8.675 1.461 -13.525 392 HH TYR 48 HH TYR 48 -9.281 2.849 -16.573 393 H GLY 49 H GLY 49 -14.923 3.520 -10.548 394 HA2 GLY 49 HA2 GLY 49 -15.094 4.529 -7.822 395 HA3 GLY 49 HA3 GLY 49 -16.324 3.602 -8.671 396 H PHE 50 H PHE 50 -13.134 3.346 -7.161 397 HA PHE 50 HA PHE 50 -13.208 0.499 -6.916 398 HB2 PHE 50 HB2 PHE 50 -11.429 2.685 -5.994 399 HB3 PHE 50 HB3 PHE 50 -11.415 1.210 -5.033 400 HD1 PHE 50 HD1 PHE 50 -10.620 2.682 -8.303 401 HD2 PHE 50 HD2 PHE 50 -10.546 -0.839 -5.913 402 HE1 PHE 50 HE1 PHE 50 -9.102 1.635 -9.900 403 HE2 PHE 50 HE2 PHE 50 -9.008 -1.894 -7.514 404 HZ PHE 50 HZ PHE 50 -8.274 -0.650 -9.504 405 H SER 51 H SER 51 -13.917 -0.752 -5.265 406 HA SER 51 HA SER 51 -14.670 0.396 -2.720 407 HB2 SER 51 HB2 SER 51 -16.841 -0.981 -4.290 408 HB3 SER 51 HB3 SER 51 -16.993 -0.015 -2.825 409 HG SER 51 HG SER 51 -15.971 1.644 -4.480 410 H PHE 52 H PHE 52 -15.124 -1.209 -1.132 411 HA PHE 52 HA PHE 52 -14.492 -3.953 -1.987 412 HB2 PHE 52 HB2 PHE 52 -12.913 -2.899 -0.301 413 HB3 PHE 52 HB3 PHE 52 -14.259 -2.892 0.838 414 HD1 PHE 52 HD2 PHE 52 -15.300 -5.068 1.518 415 HD2 PHE 52 HD1 PHE 52 -11.689 -4.858 -0.725 416 HE1 PHE 52 HE2 PHE 52 -14.812 -7.412 2.083 417 HE2 PHE 52 HE1 PHE 52 -11.202 -7.200 -0.170 418 HZ PHE 52 HZ PHE 52 -12.765 -8.478 1.232 419 H PHE 53 H PHE 53 -16.062 -5.366 -1.922 420 HA PHE 53 HA PHE 53 -18.593 -4.623 -0.676 421 HB2 PHE 53 HB2 PHE 53 -17.785 -6.319 -2.930 422 HB3 PHE 53 HB3 PHE 53 -19.080 -6.992 -1.942 423 HD1 PHE 53 HD1 PHE 53 -21.194 -5.831 -1.712 424 HD2 PHE 53 HD2 PHE 53 -18.130 -4.375 -4.271 425 HE1 PHE 53 HE1 PHE 53 -22.831 -4.369 -2.829 426 HE2 PHE 53 HE2 PHE 53 -19.757 -2.913 -5.398 427 HZ PHE 53 HZ PHE 53 -22.113 -2.905 -4.672 428 H ARG 54 H ARG 54 -19.605 -5.737 0.862 429 HA ARG 54 HA ARG 54 -18.465 -8.232 1.887 430 HB2 ARG 54 HB2 ARG 54 -17.342 -6.662 3.257 431 HB3 ARG 54 HB3 ARG 54 -18.773 -5.657 3.416 432 HG2 ARG 54 HG2 ARG 54 -18.326 -6.796 5.482 433 HG3 ARG 54 HG3 ARG 54 -19.828 -7.393 4.781 434 HD2 ARG 54 HD2 ARG 54 -18.746 -9.390 4.011 435 HD3 ARG 54 HD3 ARG 54 -17.165 -8.768 4.492 436 HE ARG 54 HE ARG 54 -19.214 -9.860 6.233 437 HH11 ARG 54 1HH1 ARG 54 -16.258 -8.084 5.928 438 HH12 ARG 54 2HH1 ARG 54 -15.776 -8.299 7.582 439 HH21 ARG 54 1HH2 ARG 54 -18.609 -10.161 8.463 440 HH22 ARG 54 2HH2 ARG 54 -17.104 -9.509 9.016 441 H HIS 55 H HIS 55 -20.243 -9.509 1.614 442 HA HIS 55 HA HIS 55 -22.365 -10.322 1.752 443 HB2 HIS 55 HB2 HIS 55 -22.266 -8.469 4.086 444 HB3 HIS 55 HB3 HIS 55 -23.833 -9.101 3.596 445 HD1 HIS 55 HD1 HIS 55 -24.435 -11.327 4.573 446 HD2 HIS 55 HD2 HIS 55 -20.345 -10.595 4.651 447 HE1 HIS 55 HE1 HIS 55 -23.392 -13.232 5.880 448 H GLY 56 H GLY 56 -21.751 -8.105 -0.039 449 HA2 GLY 56 HA2 GLY 56 -23.048 -7.007 -1.630 450 HA3 GLY 56 HA3 GLY 56 -24.475 -7.340 -0.659 451 H ASN 57 H ASN 57 -22.343 -6.092 1.474 452 HA ASN 57 HA ASN 57 -23.418 -3.381 1.157 453 HB2 ASN 57 HB2 ASN 57 -21.806 -4.421 3.495 454 HB3 ASN 57 HB3 ASN 57 -22.790 -2.965 3.435 455 HD21 ASN 57 HD21 ASN 57 -22.706 -6.329 3.915 456 HD22 ASN 57 HD22 ASN 57 -24.364 -6.543 4.375 457 H ILE 58 H ILE 58 -21.760 -1.680 2.035 458 HA ILE 58 HA ILE 58 -19.237 -2.127 0.580 459 HB ILE 58 HB ILE 58 -20.856 0.390 0.918 460 HG12 ILE 58 HG12 ILE 58 -21.409 -1.186 -0.925 461 HG13 ILE 58 HG13 ILE 58 -20.891 0.398 -1.497 462 HG21 ILE 58 HG21 ILE 58 -18.531 0.963 1.350 463 HG22 ILE 58 HG22 ILE 58 -19.047 1.600 -0.212 464 HG23 ILE 58 HG23 ILE 58 -18.040 0.153 -0.138 465 HD11 ILE 58 HD11 ILE 58 -19.947 -1.405 -2.830 466 HD12 ILE 58 HD12 ILE 58 -19.191 -2.085 -1.388 467 HD13 ILE 58 HD13 ILE 58 -18.685 -0.506 -1.990 468 H VAL 59 H VAL 59 -17.610 -2.393 1.863 469 HA VAL 59 HA VAL 59 -17.581 -1.174 4.525 470 HB VAL 59 HB VAL 59 -15.781 -3.238 3.240 471 HG11 VAL 59 HG11 VAL 59 -15.609 -1.985 5.977 472 HG12 VAL 59 HG12 VAL 59 -14.401 -1.912 4.694 473 HG13 VAL 59 HG13 VAL 59 -14.747 -3.447 5.495 474 HG21 VAL 59 HG21 VAL 59 -16.714 -4.718 4.964 475 HG22 VAL 59 HG22 VAL 59 -17.967 -4.068 3.903 476 HG23 VAL 59 HG23 VAL 59 -17.748 -3.402 5.521 477 H ALA 60 H ALA 60 -15.834 -1.190 1.477 478 HA ALA 60 HA ALA 60 -14.502 1.297 2.333 479 HB1 ALA 60 1HB ALA 60 -12.843 -0.482 2.353 480 HB2 ALA 60 HB2 ALA 60 -12.515 0.650 1.040 481 HB3 ALA 60 HB3 ALA 60 -13.260 -0.912 0.693 482 H TYR 61 H TYR 61 -14.600 2.950 0.886 483 HA TYR 61 HA TYR 61 -15.318 2.350 -1.882 484 HB2 TYR 61 HB2 TYR 61 -17.375 2.886 -0.368 485 HB3 TYR 61 HB3 TYR 61 -16.787 4.543 -0.446 486 HD1 TYR 61 HD2 TYR 61 -16.525 5.611 -2.755 487 HD2 TYR 61 HD1 TYR 61 -18.637 1.973 -2.111 488 HE1 TYR 61 HE2 TYR 61 -17.660 5.892 -4.917 489 HE2 TYR 61 HE1 TYR 61 -19.776 2.243 -4.272 490 HH TYR 61 HH TYR 61 -18.795 4.566 -6.595 491 H GLY 62 H GLY 62 -14.189 3.558 -3.260 492 HA2 GLY 62 HA2 GLY 62 -13.302 6.219 -2.509 493 HA3 GLY 62 HA3 GLY 62 -12.024 5.031 -2.733 494 H LYS 63 H LYS 63 -14.375 7.038 -4.265 495 HA LYS 63 HA LYS 63 -13.675 6.053 -6.908 496 HB2 LYS 63 HB2 LYS 63 -15.952 6.489 -6.813 497 HB3 LYS 63 HB3 LYS 63 -15.742 7.902 -5.791 498 HG2 LYS 63 HG2 LYS 63 -15.025 9.225 -7.619 499 HG3 LYS 63 HG3 LYS 63 -14.883 7.813 -8.666 500 HD2 LYS 63 HD2 LYS 63 -16.900 9.116 -9.152 501 HD3 LYS 63 HD3 LYS 63 -17.270 7.488 -8.598 502 HE2 LYS 63 HE2 LYS 63 -17.186 9.648 -6.566 503 HE3 LYS 63 HE3 LYS 63 -18.553 9.620 -7.678 504 HZ1 LYS 63 HZ1 LYS 63 -19.143 8.354 -5.766 505 HZ2 LYS 63 HZ2 LYS 63 -17.710 7.459 -5.832 506 HZ3 LYS 63 HZ3 LYS 63 -18.885 7.253 -7.033 507 H SER 64 H SER 64 -12.159 6.972 -8.126 508 HA SER 64 HA SER 64 -11.484 9.777 -7.706 509 HB2 SER 64 HB2 SER 64 -9.898 8.469 -6.312 510 HB3 SER 64 HB3 SER 64 -9.382 7.599 -7.756 511 HG SER 64 HG SER 64 -9.304 10.417 -7.713 512 H ARG 65 H ARG 65 -10.118 10.625 -9.462 513 HA ARG 65 HA ARG 65 -11.130 9.841 -11.997 514 HB2 ARG 65 HB2 ARG 65 -10.477 12.176 -11.288 515 HB3 ARG 65 HB3 ARG 65 -8.798 11.682 -11.417 516 HG2 ARG 65 HG2 ARG 65 -10.607 11.359 -13.764 517 HG3 ARG 65 HG3 ARG 65 -9.957 12.950 -13.371 518 HD2 ARG 65 HD2 ARG 65 -7.697 12.100 -13.528 519 HD3 ARG 65 HD3 ARG 65 -8.302 10.466 -13.799 520 HE ARG 65 HE ARG 65 -8.580 12.711 -15.690 521 HH11 ARG 65 1HH1 ARG 65 -8.502 9.290 -14.966 522 HH12 ARG 65 2HH1 ARG 65 -8.496 8.795 -16.634 523 HH21 ARG 65 1HH2 ARG 65 -8.596 12.086 -17.900 524 HH22 ARG 65 2HH2 ARG 65 -8.579 10.391 -18.307 525 H LYS 66 H LYS 66 -8.311 8.998 -10.146 526 HA LYS 66 HA LYS 66 -7.348 7.411 -12.437 527 HB2 LYS 66 HB2 LYS 66 -5.719 8.685 -10.232 528 HB3 LYS 66 HB3 LYS 66 -5.075 7.576 -11.436 529 HG2 LYS 66 HG2 LYS 66 -5.725 9.154 -13.206 530 HG3 LYS 66 HG3 LYS 66 -6.299 10.274 -11.970 531 HD2 LYS 66 HD2 LYS 66 -4.071 10.894 -12.718 532 HD3 LYS 66 HD3 LYS 66 -4.039 10.382 -11.029 533 HE2 LYS 66 HE2 LYS 66 -2.152 9.454 -12.248 534 HE3 LYS 66 HE3 LYS 66 -3.242 8.176 -11.715 535 HZ1 LYS 66 HZ1 LYS 66 -4.202 8.164 -13.969 536 HZ2 LYS 66 HZ2 LYS 66 -2.558 7.764 -13.958 537 HZ3 LYS 66 HZ3 LYS 66 -3.050 9.307 -14.456 538 H VAL 67 H VAL 67 -6.508 5.351 -12.002 539 HA VAL 67 HA VAL 67 -8.011 3.839 -10.177 540 HB VAL 67 HB VAL 67 -7.197 2.803 -12.175 541 HG11 VAL 67 HG11 VAL 67 -5.192 4.122 -12.500 542 HG12 VAL 67 HG12 VAL 67 -4.838 2.398 -12.610 543 HG13 VAL 67 HG13 VAL 67 -4.416 3.294 -11.150 544 HG21 VAL 67 HG21 VAL 67 -7.436 1.258 -10.333 545 HG22 VAL 67 HG22 VAL 67 -5.803 1.613 -9.784 546 HG23 VAL 67 HG23 VAL 67 -6.057 0.787 -11.320 547 H ALA 68 H ALA 68 -4.676 5.006 -10.011 548 HA ALA 68 HA ALA 68 -3.801 3.550 -7.811 549 HB1 ALA 68 1HB ALA 68 -2.051 5.215 -7.591 550 HB2 ALA 68 HB2 ALA 68 -2.959 6.328 -8.615 551 HB3 ALA 68 HB3 ALA 68 -2.324 4.828 -9.291 552 H ASN 69 H ASN 69 -5.197 6.825 -7.880 553 HA ASN 69 HA ASN 69 -5.001 7.246 -5.094 554 HB2 ASN 69 HB2 ASN 69 -5.325 9.029 -6.870 555 HB3 ASN 69 HB3 ASN 69 -7.013 8.537 -6.940 556 HD21 ASN 69 HD21 ASN 69 -7.855 10.416 -6.189 557 HD22 ASN 69 HD22 ASN 69 -7.632 10.986 -4.571 558 H ALA 70 H ALA 70 -7.622 6.125 -7.176 559 HA ALA 70 HA ALA 70 -9.654 5.970 -5.281 560 HB1 ALA 70 1HB ALA 70 -10.742 4.437 -6.823 561 HB2 ALA 70 HB2 ALA 70 -9.215 4.179 -7.668 562 HB3 ALA 70 HB3 ALA 70 -9.988 5.764 -7.707 563 H LYS 71 H LYS 71 -7.359 3.444 -6.309 564 HA LYS 71 HA LYS 71 -8.169 1.415 -4.578 565 HB2 LYS 71 HB2 LYS 71 -5.422 2.115 -5.613 566 HB3 LYS 71 HB3 LYS 71 -5.774 0.641 -4.721 567 HG2 LYS 71 HG2 LYS 71 -7.344 -0.016 -6.446 568 HG3 LYS 71 HG3 LYS 71 -6.979 1.461 -7.335 569 HD2 LYS 71 HD2 LYS 71 -5.001 -0.712 -6.654 570 HD3 LYS 71 HD3 LYS 71 -5.751 -0.467 -8.232 571 HE2 LYS 71 HE2 LYS 71 -4.732 1.783 -8.322 572 HE3 LYS 71 HE3 LYS 71 -3.918 1.450 -6.794 573 HZ1 LYS 71 HZ1 LYS 71 -3.552 -0.090 -9.312 574 HZ2 LYS 71 HZ2 LYS 71 -2.750 -0.378 -7.847 575 HZ3 LYS 71 HZ3 LYS 71 -2.467 1.062 -8.697 576 H TYR 72 H TYR 72 -5.878 4.039 -4.125 577 HA TYR 72 HA TYR 72 -4.803 3.287 -1.709 578 HB2 TYR 72 HB2 TYR 72 -3.760 5.056 -2.872 579 HB3 TYR 72 HB3 TYR 72 -5.261 5.965 -3.001 580 HD1 TYR 72 HD2 TYR 72 -2.654 4.865 -0.598 581 HD2 TYR 72 HD1 TYR 72 -5.844 7.569 -1.407 582 HE1 TYR 72 HE2 TYR 72 -2.041 6.172 1.390 583 HE2 TYR 72 HE1 TYR 72 -5.232 8.888 0.579 584 HH TYR 72 HH TYR 72 -4.049 8.503 2.746 585 H ILE 73 H ILE 73 -7.616 5.322 -2.346 586 HA ILE 73 HA ILE 73 -8.240 6.057 0.275 587 HB ILE 73 HB ILE 73 -10.116 5.639 -2.056 588 HG12 ILE 73 HG12 ILE 73 -8.959 8.248 -1.108 589 HG13 ILE 73 HG13 ILE 73 -8.098 7.232 -2.261 590 HG21 ILE 73 HG21 ILE 73 -11.319 5.748 0.066 591 HG22 ILE 73 HG22 ILE 73 -11.601 7.201 -0.895 592 HG23 ILE 73 HG23 ILE 73 -10.484 7.249 0.470 593 HD11 ILE 73 HD11 ILE 73 -9.981 7.362 -3.785 594 HD12 ILE 73 HD12 ILE 73 -9.361 8.962 -3.381 595 HD13 ILE 73 HD13 ILE 73 -10.850 8.378 -2.634 596 H MET 74 H MET 74 -9.709 3.432 -1.674 597 HA MET 74 HA MET 74 -11.334 2.527 0.448 598 HB2 MET 74 HB2 MET 74 -11.794 0.572 -0.910 599 HB3 MET 74 HB3 MET 74 -11.830 2.020 -1.906 600 HG2 MET 74 HG2 MET 74 -9.839 1.484 -2.966 601 HG3 MET 74 HG3 MET 74 -9.371 0.338 -1.710 602 HE1 MET 74 HE1 MET 74 -8.705 -1.292 -3.753 603 HE2 MET 74 HE2 MET 74 -9.820 -2.662 -3.720 604 HE3 MET 74 HE3 MET 74 -9.252 -1.942 -2.207 605 H LYS 75 H LYS 75 -8.112 1.542 -0.644 606 HA LYS 75 HA LYS 75 -7.738 -0.713 0.927 607 HB2 LYS 75 HB2 LYS 75 -5.990 1.276 -0.356 608 HB3 LYS 75 HB3 LYS 75 -5.275 0.524 1.058 609 HG2 LYS 75 HG2 LYS 75 -4.573 -0.712 -0.837 610 HG3 LYS 75 HG3 LYS 75 -5.754 -1.699 0.020 611 HD2 LYS 75 HD2 LYS 75 -7.420 -1.290 -1.594 612 HD3 LYS 75 HD3 LYS 75 -6.517 0.053 -2.298 613 HE2 LYS 75 HE2 LYS 75 -6.321 -1.815 -3.778 614 HE3 LYS 75 HE3 LYS 75 -4.763 -1.579 -2.992 615 HZ1 LYS 75 HZ1 LYS 75 -5.986 -3.344 -1.360 616 HZ2 LYS 75 HZ2 LYS 75 -4.892 -3.754 -2.576 617 HZ3 LYS 75 HZ3 LYS 75 -6.562 -3.831 -2.879 618 H GLN 76 H GLN 76 -7.088 2.680 1.745 619 HA GLN 76 HA GLN 76 -6.150 2.233 4.358 620 HB2 GLN 76 HB2 GLN 76 -7.402 4.663 3.074 621 HB3 GLN 76 HB3 GLN 76 -6.710 4.675 4.685 622 HG2 GLN 76 HG2 GLN 76 -5.250 4.091 2.118 623 HG3 GLN 76 HG3 GLN 76 -5.136 5.561 3.083 624 HE21 GLN 76 HE21 GLN 76 -4.253 2.221 2.835 625 HE22 GLN 76 HE22 GLN 76 -3.055 2.230 4.080 626 H ARG 77 H ARG 77 -9.361 2.300 3.085 627 HA ARG 77 HA ARG 77 -10.750 3.032 5.428 628 HB2 ARG 77 HB2 ARG 77 -11.639 1.397 3.055 629 HB3 ARG 77 HB3 ARG 77 -12.714 1.967 4.325 630 HG2 ARG 77 HG2 ARG 77 -11.028 3.802 2.642 631 HG3 ARG 77 HG3 ARG 77 -12.678 3.338 2.230 632 HD2 ARG 77 HD2 ARG 77 -12.708 5.475 3.343 633 HD3 ARG 77 HD3 ARG 77 -13.439 4.266 4.393 634 HE ARG 77 HE ARG 77 -10.694 5.291 4.741 635 HH11 ARG 77 1HH1 ARG 77 -13.738 4.126 6.048 636 HH12 ARG 77 2HH1 ARG 77 -13.268 4.392 7.701 637 HH21 ARG 77 1HH2 ARG 77 -10.071 5.620 6.894 638 HH22 ARG 77 2HH2 ARG 77 -11.173 5.219 8.188 639 H LEU 78 H LEU 78 -10.522 -0.251 3.976 640 HA LEU 78 HA LEU 78 -11.392 -1.517 6.368 641 HB2 LEU 78 HB2 LEU 78 -9.580 -3.054 4.611 642 HB3 LEU 78 HB3 LEU 78 -11.121 -3.503 5.316 643 HG LEU 78 HG LEU 78 -11.933 -1.655 3.516 644 HD11 LEU 78 HD11 LEU 78 -10.742 -2.104 1.419 645 HD12 LEU 78 HD12 LEU 78 -9.543 -3.041 2.312 646 HD13 LEU 78 HD13 LEU 78 -9.712 -1.311 2.609 647 HD21 LEU 78 HD21 LEU 78 -12.547 -3.563 2.117 648 HD22 LEU 78 HD22 LEU 78 -12.862 -3.868 3.825 649 HD23 LEU 78 HD23 LEU 78 -11.452 -4.585 3.046 650 H LEU 79 H LEU 79 -8.273 -0.525 5.195 651 HA LEU 79 HA LEU 79 -6.544 -1.929 6.830 652 HB2 LEU 79 HB2 LEU 79 -5.876 -0.433 4.982 653 HB3 LEU 79 HB3 LEU 79 -6.349 0.954 5.936 654 HG LEU 79 HG LEU 79 -3.849 0.382 5.737 655 HD11 LEU 79 HD11 LEU 79 -4.748 2.059 7.266 656 HD12 LEU 79 HD12 LEU 79 -3.393 1.185 7.982 657 HD13 LEU 79 HD13 LEU 79 -5.044 0.804 8.471 658 HD21 LEU 79 HD21 LEU 79 -3.998 -1.990 6.206 659 HD22 LEU 79 HD22 LEU 79 -4.675 -1.655 7.799 660 HD23 LEU 79 HD23 LEU 79 -3.015 -1.188 7.432 661 H LYS 80 H LYS 80 -8.252 1.104 7.486 662 HA LYS 80 HA LYS 80 -7.238 1.416 10.112 663 HB2 LYS 80 HB2 LYS 80 -9.309 2.687 8.463 664 HB3 LYS 80 HB3 LYS 80 -9.636 2.720 10.191 665 HG2 LYS 80 HG2 LYS 80 -7.161 3.748 8.831 666 HG3 LYS 80 HG3 LYS 80 -8.477 4.721 9.488 667 HD2 LYS 80 HD2 LYS 80 -6.652 2.898 11.054 668 HD3 LYS 80 HD3 LYS 80 -6.586 4.661 11.024 669 HE2 LYS 80 HE2 LYS 80 -8.913 4.689 11.931 670 HE3 LYS 80 HE3 LYS 80 -8.814 2.936 12.106 671 HZ1 LYS 80 HZ1 LYS 80 -6.852 3.292 13.553 672 HZ2 LYS 80 HZ2 LYS 80 -8.277 3.953 14.188 673 HZ3 LYS 80 HZ3 LYS 80 -7.123 4.964 13.469 674 H LEU 81 H LEU 81 -9.951 -0.315 8.778 675 HA LEU 81 HA LEU 81 -11.354 -0.677 11.199 676 HB2 LEU 81 HB2 LEU 81 -11.489 -1.754 8.453 677 HB3 LEU 81 HB3 LEU 81 -12.193 -2.754 9.710 678 HG LEU 81 HG LEU 81 -13.767 -1.084 10.292 679 HD11 LEU 81 HD11 LEU 81 -12.350 0.870 10.215 680 HD12 LEU 81 HD12 LEU 81 -13.828 1.128 9.288 681 HD13 LEU 81 HD13 LEU 81 -12.311 0.788 8.455 682 HD21 LEU 81 HD21 LEU 81 -14.364 -2.328 8.316 683 HD22 LEU 81 HD22 LEU 81 -13.494 -1.176 7.302 684 HD23 LEU 81 HD23 LEU 81 -14.938 -0.668 8.179 685 H LEU 82 H LEU 82 -8.926 -2.651 9.518 686 HA LEU 82 HA LEU 82 -9.117 -4.709 11.533 687 HB2 LEU 82 HB2 LEU 82 -7.154 -5.694 10.315 688 HB3 LEU 82 HB3 LEU 82 -8.630 -5.508 9.390 689 HG LEU 82 HG LEU 82 -7.305 -3.178 8.818 690 HD11 LEU 82 HD11 LEU 82 -5.280 -3.940 9.950 691 HD12 LEU 82 HD12 LEU 82 -5.031 -3.812 8.206 692 HD13 LEU 82 HD13 LEU 82 -5.263 -5.395 8.950 693 HD21 LEU 82 HD21 LEU 82 -7.360 -5.833 7.403 694 HD22 LEU 82 HD22 LEU 82 -6.765 -4.345 6.669 695 HD23 LEU 82 HD23 LEU 82 -8.448 -4.459 7.185 696 H GLU 83 H GLU 83 -7.305 -1.815 11.110 697 HA GLU 83 HA GLU 83 -5.242 -2.512 12.997 698 HB2 GLU 83 HB2 GLU 83 -6.088 0.072 11.703 699 HB3 GLU 83 HB3 GLU 83 -4.844 0.021 12.942 700 HG2 GLU 83 HG2 GLU 83 -4.717 -1.558 10.387 701 HG3 GLU 83 HG3 GLU 83 -4.014 0.045 10.589 702 H ASP 84 H ASP 84 -8.178 -0.548 13.038 703 HA ASP 84 HA ASP 84 -7.837 0.124 15.845 704 HB2 ASP 84 HB2 ASP 84 -8.816 1.567 13.833 705 HB3 ASP 84 HB3 ASP 84 -10.315 0.784 14.311 706 H LYS 85 H LYS 85 -9.239 -2.284 13.989 707 HA LYS 85 HA LYS 85 -10.582 -4.042 14.378 708 HB2 LYS 85 HB2 LYS 85 -10.242 -3.269 17.279 709 HB3 LYS 85 HB3 LYS 85 -10.944 -4.779 16.709 710 HG2 LYS 85 HG2 LYS 85 -8.129 -3.845 16.172 711 HG3 LYS 85 HG3 LYS 85 -8.602 -5.053 17.376 712 HD2 LYS 85 HD2 LYS 85 -9.046 -5.284 14.393 713 HD3 LYS 85 HD3 LYS 85 -7.750 -6.073 15.290 714 HE2 LYS 85 HE2 LYS 85 -10.687 -6.505 15.830 715 HE3 LYS 85 HE3 LYS 85 -9.717 -7.539 14.782 716 HZ1 LYS 85 HZ1 LYS 85 -8.267 -7.984 16.701 717 HZ2 LYS 85 HZ2 LYS 85 -9.859 -8.502 16.959 718 HZ3 LYS 85 HZ3 LYS 85 -9.305 -7.079 17.692 719 H SER 86 H SER 86 -11.843 -2.029 13.410 720 HA SER 86 HA SER 86 -14.209 -1.394 14.964 721 HB2 SER 86 HB2 SER 86 -13.653 -0.774 12.056 722 HB3 SER 86 HB3 SER 86 -14.801 0.031 13.125 723 HG SER 86 HG SER 86 -12.809 0.541 14.420 724 H ASN 87 H ASN 87 -16.225 -2.285 14.639 725 HA ASN 87 HA ASN 87 -16.208 -4.952 13.626 726 HB2 ASN 87 HB2 ASN 87 -18.459 -5.120 14.423 727 HB3 ASN 87 HB3 ASN 87 -17.532 -4.211 15.611 728 HD21 ASN 87 HD21 ASN 87 -20.095 -4.151 13.306 729 HD22 ASN 87 HD22 ASN 87 -20.707 -2.579 13.703 730 H LEU 88 H LEU 88 -16.469 -2.140 11.957 731 HA LEU 88 HA LEU 88 -18.693 -2.600 10.290 732 HB2 LEU 88 HB2 LEU 88 -16.196 -0.985 9.795 733 HB3 LEU 88 HB3 LEU 88 -17.581 -0.995 8.722 734 HG LEU 88 HG LEU 88 -17.860 0.946 9.976 735 HD11 LEU 88 HD11 LEU 88 -19.456 -1.175 11.399 736 HD12 LEU 88 HD12 LEU 88 -19.905 -0.350 9.903 737 HD13 LEU 88 HD13 LEU 88 -19.797 0.556 11.412 738 HD21 LEU 88 HD21 LEU 88 -16.131 0.551 11.636 739 HD22 LEU 88 HD22 LEU 88 -17.164 -0.623 12.452 740 HD23 LEU 88 HD23 LEU 88 -17.628 1.078 12.406 741 H LEU 89 H LEU 89 -15.271 -3.500 9.983 742 HA LEU 89 HA LEU 89 -16.055 -5.162 7.677 743 HB2 LEU 89 HB2 LEU 89 -14.180 -3.751 7.208 744 HB3 LEU 89 HB3 LEU 89 -13.340 -4.271 8.654 745 HG LEU 89 HG LEU 89 -13.436 -6.615 7.576 746 HD11 LEU 89 HD11 LEU 89 -14.998 -5.954 5.797 747 HD12 LEU 89 HD12 LEU 89 -13.515 -6.695 5.198 748 HD13 LEU 89 HD13 LEU 89 -13.727 -4.948 5.100 749 HD21 LEU 89 HD21 LEU 89 -11.328 -6.185 6.431 750 HD22 LEU 89 HD22 LEU 89 -11.410 -5.351 7.983 751 HD23 LEU 89 HD23 LEU 89 -11.655 -4.452 6.485 752 H LEU 90 H LEU 90 -15.514 -5.364 10.961 753 HA LEU 90 HA LEU 90 -14.546 -8.138 10.791 754 HB2 LEU 90 HB2 LEU 90 -14.199 -6.222 13.084 755 HB3 LEU 90 HB3 LEU 90 -13.409 -7.773 12.864 756 HG LEU 90 HG LEU 90 -13.005 -5.509 10.930 757 HD11 LEU 90 HD11 LEU 90 -12.397 -4.670 13.093 758 HD12 LEU 90 HD12 LEU 90 -10.941 -5.010 12.157 759 HD13 LEU 90 HD13 LEU 90 -11.450 -6.121 13.430 760 HD21 LEU 90 HD21 LEU 90 -10.933 -6.712 10.447 761 HD22 LEU 90 HD22 LEU 90 -12.354 -7.716 10.159 762 HD23 LEU 90 HD23 LEU 90 -11.384 -7.955 11.614 763 H TYR 91 H TYR 91 -17.421 -7.131 10.924 764 HA TYR 91 HA TYR 91 -18.353 -7.935 13.507 765 HB2 TYR 91 HB2 TYR 91 -20.591 -7.714 12.606 766 HB3 TYR 91 HB3 TYR 91 -19.620 -6.338 12.108 767 HD1 TYR 91 HD2 TYR 91 -21.039 -9.573 10.934 768 HD2 TYR 91 HD1 TYR 91 -19.350 -5.818 9.827 769 HE1 TYR 91 HE2 TYR 91 -21.685 -9.971 8.599 770 HE2 TYR 91 HE1 TYR 91 -19.991 -6.217 7.486 771 HH TYR 91 HH TYR 91 -22.220 -8.383 6.541 772 H SER 92 H SER 92 -19.868 -9.730 13.857 773 HA SER 92 HA SER 92 -18.866 -12.154 12.601 774 HB2 SER 92 HB2 SER 92 -19.088 -12.031 15.073 775 HB3 SER 92 HB3 SER 92 -20.829 -11.830 14.888 776 HG SER 92 HG SER 92 -19.910 -14.047 15.283 777 H CYS 93 H CYS 93 -20.166 -13.639 11.554 778 HA CYS 93 HA CYS 93 -22.922 -12.969 10.859 779 HB2 CYS 93 HB2 CYS 93 -22.523 -12.909 8.511 780 HB3 CYS 93 HB3 CYS 93 -21.333 -11.818 9.226 781 H ASN 94 H ASN 94 -24.028 -14.810 9.897 782 HA ASN 94 HA ASN 94 -22.635 -17.329 10.354 783 HB2 ASN 94 HB2 ASN 94 -24.961 -17.062 11.181 784 HB3 ASN 94 HB3 ASN 94 -25.509 -16.860 9.520 785 HD21 ASN 94 HD21 ASN 94 -24.456 -19.081 11.932 786 HD22 ASN 94 HD22 ASN 94 -24.772 -20.529 11.040 787 H CYS 95 H CYS 95 -21.141 -16.755 8.412 788 HA CYS 95 HA CYS 95 -22.374 -17.730 5.966 789 HB2 CYS 95 HB2 CYS 95 -19.590 -16.896 6.703 790 HB3 CYS 95 HB3 CYS 95 -19.877 -17.836 5.239 791 H LYS 96 H LYS 96 -21.059 -18.942 8.813 792 HA LYS 96 HA LYS 96 -21.474 -21.639 7.948 793 HB2 LYS 96 HB2 LYS 96 -19.218 -22.420 8.710 794 HB3 LYS 96 HB3 LYS 96 -19.203 -21.486 7.225 795 HG2 LYS 96 HG2 LYS 96 -18.536 -19.497 8.568 796 HG3 LYS 96 HG3 LYS 96 -18.392 -20.560 9.968 797 HD2 LYS 96 HD2 LYS 96 -16.897 -21.014 7.392 798 HD3 LYS 96 HD3 LYS 96 -16.251 -20.059 8.721 799 HE2 LYS 96 HE2 LYS 96 -15.340 -22.237 8.929 800 HE3 LYS 96 HE3 LYS 96 -16.556 -22.069 10.191 801 HZ1 LYS 96 HZ1 LYS 96 -18.032 -23.448 9.050 802 HZ2 LYS 96 HZ2 LYS 96 -16.532 -24.219 8.876 803 HZ3 LYS 96 HZ3 LYS 96 -17.179 -23.326 7.588 804 H PHE 97 H PHE 97 -20.198 -19.532 10.513 805 HA PHE 97 HA PHE 97 -22.157 -20.623 12.345 806 HB2 PHE 97 HB2 PHE 97 -20.562 -21.179 14.097 807 HB3 PHE 97 HB3 PHE 97 -20.182 -22.109 12.652 808 HD1 PHE 97 HD1 PHE 97 -19.150 -19.225 14.714 809 HD2 PHE 97 HD2 PHE 97 -18.099 -21.879 11.558 810 HE1 PHE 97 HE1 PHE 97 -16.836 -18.399 14.794 811 HE2 PHE 97 HE2 PHE 97 -15.787 -21.054 11.630 812 HZ PHE 97 HZ PHE 97 -15.149 -19.312 13.252 813 H SER 98 H SER 98 -22.392 -19.323 14.261 814 HA SER 98 HA SER 98 -20.774 -17.189 14.999 815 HB2 SER 98 HB2 SER 98 -22.112 -15.242 14.291 816 HB3 SER 98 HB3 SER 98 -21.429 -16.105 12.916 817 HG SER 98 HG SER 98 -23.784 -17.194 13.376 818 H LYS 99 H LYS 99 -21.468 -16.203 16.867 819 HA LYS 99 HA LYS 99 -22.724 -15.663 18.667 820 HB2 LYS 99 HB2 LYS 99 -25.071 -16.684 17.065 821 HB3 LYS 99 HB3 LYS 99 -25.182 -15.804 18.583 822 HG2 LYS 99 HG2 LYS 99 -24.134 -14.771 15.958 823 HG3 LYS 99 HG3 LYS 99 -25.622 -14.298 16.780 824 HD2 LYS 99 HD2 LYS 99 -24.132 -13.558 18.708 825 HD3 LYS 99 HD3 LYS 99 -22.782 -13.737 17.582 826 HE2 LYS 99 HE2 LYS 99 -23.836 -12.147 16.059 827 HE3 LYS 99 HE3 LYS 99 -25.198 -11.982 17.166 828 HZ1 LYS 99 HZ1 LYS 99 -23.636 -11.130 18.844 829 HZ2 LYS 99 HZ2 LYS 99 -23.697 -10.153 17.460 830 HZ3 LYS 99 HZ3 LYS 99 -22.384 -11.197 17.702 831 H LYS 100 H LYS 100 -23.297 -18.874 17.344 832 HA LYS 100 HA LYS 100 -24.386 -20.016 19.681 833 HB2 LYS 100 HB2 LYS 100 -24.472 -20.970 17.335 834 HB3 LYS 100 HB3 LYS 100 -22.806 -21.481 17.562 835 HG2 LYS 100 HG2 LYS 100 -24.821 -22.286 19.589 836 HG3 LYS 100 HG3 LYS 100 -24.823 -23.103 18.026 837 HD2 LYS 100 HD2 LYS 100 -22.605 -23.879 18.337 838 HD3 LYS 100 HD3 LYS 100 -22.358 -22.813 19.724 839 HE2 LYS 100 HE2 LYS 100 -24.127 -24.069 20.933 840 HE3 LYS 100 HE3 LYS 100 -24.208 -25.190 19.574 841 HZ1 LYS 100 HZ1 LYS 100 -21.742 -24.661 21.140 842 HZ2 LYS 100 HZ2 LYS 100 -21.975 -25.876 19.973 843 HZ3 LYS 100 HZ3 LYS 100 -22.804 -25.946 21.449 844 H LYS 101 H LYS 101 -23.434 -21.325 21.251 845 HA LYS 101 HA LYS 101 -20.878 -20.324 22.072 846 HB2 LYS 101 HB2 LYS 101 -22.876 -22.163 23.369 847 HB3 LYS 101 HB3 LYS 101 -21.313 -21.815 24.098 848 HG2 LYS 101 HG2 LYS 101 -22.940 -20.372 25.075 849 HG3 LYS 101 HG3 LYS 101 -21.892 -19.397 24.044 850 HD2 LYS 101 HD2 LYS 101 -23.714 -19.835 22.241 851 HD3 LYS 101 HD3 LYS 101 -24.738 -20.223 23.624 852 HE2 LYS 101 HE2 LYS 101 -25.064 -17.922 23.111 853 HE3 LYS 101 HE3 LYS 101 -24.120 -18.012 24.595 854 HZ1 LYS 101 HZ1 LYS 101 -22.126 -17.537 23.345 855 HZ2 LYS 101 HZ2 LYS 101 -23.281 -16.331 23.051 856 HZ3 LYS 101 HZ3 LYS 101 -22.995 -17.526 21.888 Start of MODEL 6 1 H MET 1 H MET 1 -1.842 -0.974 8.266 2 HA MET 1 HA MET 1 -1.419 -1.222 5.882 3 HB2 MET 1 HB2 MET 1 0.742 -0.129 7.671 4 HB3 MET 1 HB3 MET 1 0.844 0.007 5.924 5 HG2 MET 1 HG2 MET 1 -1.441 1.060 7.565 6 HG3 MET 1 HG3 MET 1 -0.048 2.016 7.065 7 HE1 MET 1 HE1 MET 1 -2.731 3.498 4.713 8 HE2 MET 1 HE2 MET 1 -1.419 3.834 5.842 9 HE3 MET 1 HE3 MET 1 -2.894 3.053 6.412 10 H LYS 2 H LYS 2 0.650 -1.421 4.451 11 HA LYS 2 HA LYS 2 2.371 -2.561 3.561 12 HB2 LYS 2 HB2 LYS 2 2.551 -3.926 6.247 13 HB3 LYS 2 HB3 LYS 2 3.698 -4.161 4.931 14 HG2 LYS 2 HG2 LYS 2 3.127 -1.589 6.390 15 HG3 LYS 2 HG3 LYS 2 4.597 -2.562 6.483 16 HD2 LYS 2 HD2 LYS 2 5.165 -2.069 4.225 17 HD3 LYS 2 HD3 LYS 2 3.583 -1.350 3.920 18 HE2 LYS 2 HE2 LYS 2 4.107 0.456 5.485 19 HE3 LYS 2 HE3 LYS 2 5.690 -0.264 5.789 20 HZ1 LYS 2 HZ1 LYS 2 5.781 1.555 4.164 21 HZ2 LYS 2 HZ2 LYS 2 4.738 0.695 3.139 22 HZ3 LYS 2 HZ3 LYS 2 6.278 0.080 3.489 23 H GLY 3 H GLY 3 1.963 -3.805 1.970 24 HA2 GLY 3 HA2 GLY 3 1.611 -6.019 1.076 25 HA3 GLY 3 HA3 GLY 3 0.523 -6.334 2.423 26 H ASP 4 H ASP 4 -1.220 -6.895 1.136 27 HA ASP 4 HA ASP 4 -2.450 -4.610 -0.262 28 HB2 ASP 4 HB2 ASP 4 -1.652 -6.406 -1.835 29 HB3 ASP 4 HB3 ASP 4 -2.801 -7.500 -1.067 30 H ILE 5 H ILE 5 -4.544 -4.234 0.109 31 HA ILE 5 HA ILE 5 -5.514 -5.026 2.627 32 HB ILE 5 HB ILE 5 -6.004 -2.954 0.916 33 HG12 ILE 5 HG12 ILE 5 -6.149 -2.853 3.332 34 HG13 ILE 5 HG13 ILE 5 -7.608 -2.178 2.617 35 HG21 ILE 5 HG21 ILE 5 -8.497 -4.646 0.962 36 HG22 ILE 5 HG22 ILE 5 -7.551 -4.180 -0.454 37 HG23 ILE 5 HG23 ILE 5 -8.430 -2.956 0.462 38 HD11 ILE 5 HD11 ILE 5 -8.146 -3.511 4.545 39 HD12 ILE 5 HD12 ILE 5 -7.314 -4.902 3.850 40 HD13 ILE 5 HD13 ILE 5 -8.779 -4.279 3.089 41 H GLU 6 H GLU 6 -6.078 -6.288 -0.584 42 HA GLU 6 HA GLU 6 -8.581 -7.516 0.019 43 HB2 GLU 6 HB2 GLU 6 -6.595 -7.882 -2.215 44 HB3 GLU 6 HB3 GLU 6 -8.076 -8.829 -2.109 45 HG2 GLU 6 HG2 GLU 6 -9.396 -7.091 -2.683 46 HG3 GLU 6 HG3 GLU 6 -8.382 -5.909 -1.859 47 H HIS 7 H HIS 7 -5.240 -8.462 0.275 48 HA HIS 7 HA HIS 7 -5.665 -11.171 0.950 49 HB2 HIS 7 HB2 HIS 7 -3.439 -10.270 0.389 50 HB3 HIS 7 HB3 HIS 7 -3.472 -9.283 1.846 51 HD1 HIS 7 HD1 HIS 7 -2.075 -10.283 3.647 52 HD2 HIS 7 HD2 HIS 7 -3.801 -13.183 1.222 53 HE1 HIS 7 HE1 HIS 7 -1.262 -12.509 4.517 54 H LYS 8 H LYS 8 -5.543 -8.195 2.827 55 HA LYS 8 HA LYS 8 -5.592 -9.340 5.397 56 HB2 LYS 8 HB2 LYS 8 -6.824 -6.669 4.750 57 HB3 LYS 8 HB3 LYS 8 -5.992 -7.162 6.216 58 HG2 LYS 8 HG2 LYS 8 -4.724 -6.674 3.530 59 HG3 LYS 8 HG3 LYS 8 -4.648 -5.612 4.935 60 HD2 LYS 8 HD2 LYS 8 -3.472 -7.365 6.182 61 HD3 LYS 8 HD3 LYS 8 -3.539 -8.411 4.759 62 HE2 LYS 8 HE2 LYS 8 -2.136 -6.947 3.520 63 HE3 LYS 8 HE3 LYS 8 -2.260 -5.686 4.745 64 HZ1 LYS 8 HZ1 LYS 8 -0.919 -8.318 5.096 65 HZ2 LYS 8 HZ2 LYS 8 -1.054 -7.116 6.283 66 HZ3 LYS 8 HZ3 LYS 8 -0.145 -6.825 4.885 67 H VAL 9 H VAL 9 -8.203 -8.063 3.371 68 HA VAL 9 HA VAL 9 -10.225 -8.431 5.298 69 HB VAL 9 HB VAL 9 -10.504 -6.870 3.476 70 HG11 VAL 9 HG11 VAL 9 -9.363 -8.060 1.701 71 HG12 VAL 9 HG12 VAL 9 -10.992 -7.604 1.194 72 HG13 VAL 9 HG13 VAL 9 -10.648 -9.267 1.668 73 HG21 VAL 9 HG21 VAL 9 -12.519 -7.734 4.532 74 HG22 VAL 9 HG22 VAL 9 -12.564 -9.072 3.386 75 HG23 VAL 9 HG23 VAL 9 -12.808 -7.420 2.822 76 H TYR 10 H TYR 10 -9.124 -10.519 2.632 77 HA TYR 10 HA TYR 10 -11.145 -12.472 3.069 78 HB2 TYR 10 HB2 TYR 10 -8.410 -12.901 1.843 79 HB3 TYR 10 HB3 TYR 10 -9.788 -13.976 1.708 80 HD1 TYR 10 HD2 TYR 10 -11.671 -11.370 1.337 81 HD2 TYR 10 HD1 TYR 10 -8.233 -12.938 -0.613 82 HE1 TYR 10 HE2 TYR 10 -12.331 -10.222 -0.733 83 HE2 TYR 10 HE1 TYR 10 -8.881 -11.794 -2.691 84 HH TYR 10 HH TYR 10 -11.179 -9.365 -2.815 85 H GLN 11 H GLN 11 -7.993 -11.838 4.392 86 HA GLN 11 HA GLN 11 -7.272 -14.273 5.472 87 HB2 GLN 11 HB2 GLN 11 -6.676 -11.449 6.143 88 HB3 GLN 11 HB3 GLN 11 -6.274 -12.658 7.354 89 HG2 GLN 11 HG2 GLN 11 -5.350 -12.788 4.500 90 HG3 GLN 11 HG3 GLN 11 -4.426 -12.037 5.799 91 HE21 GLN 11 HE21 GLN 11 -5.556 -15.032 4.441 92 HE22 GLN 11 HE22 GLN 11 -4.583 -16.074 5.417 93 H LEU 12 H LEU 12 -9.077 -11.707 7.097 94 HA LEU 12 HA LEU 12 -9.461 -13.415 9.398 95 HB2 LEU 12 HB2 LEU 12 -10.850 -11.205 10.038 96 HB3 LEU 12 HB3 LEU 12 -9.137 -11.404 10.307 97 HG LEU 12 HG LEU 12 -8.862 -10.285 7.986 98 HD11 LEU 12 HD11 LEU 12 -11.208 -10.383 7.329 99 HD12 LEU 12 HD12 LEU 12 -10.643 -8.713 7.421 100 HD13 LEU 12 HD13 LEU 12 -11.645 -9.376 8.710 101 HD21 LEU 12 HD21 LEU 12 -8.920 -8.069 9.035 102 HD22 LEU 12 HD22 LEU 12 -8.156 -9.279 10.068 103 HD23 LEU 12 HD23 LEU 12 -9.805 -8.749 10.400 104 H LEU 13 H LEU 13 -11.417 -12.013 6.837 105 HA LEU 13 HA LEU 13 -13.916 -12.671 7.934 106 HB2 LEU 13 HB2 LEU 13 -13.058 -12.268 5.085 107 HB3 LEU 13 HB3 LEU 13 -14.723 -12.580 5.540 108 HG LEU 13 HG LEU 13 -13.044 -10.194 6.268 109 HD11 LEU 13 HD11 LEU 13 -15.616 -10.527 4.740 110 HD12 LEU 13 HD12 LEU 13 -14.035 -10.141 4.062 111 HD13 LEU 13 HD13 LEU 13 -14.846 -8.988 5.123 112 HD21 LEU 13 HD21 LEU 13 -14.298 -10.903 8.228 113 HD22 LEU 13 HD22 LEU 13 -15.782 -10.955 7.274 114 HD23 LEU 13 HD23 LEU 13 -14.966 -9.416 7.557 115 H LYS 14 H LYS 14 -11.872 -14.507 5.670 116 HA LYS 14 HA LYS 14 -13.703 -16.663 5.448 117 HB2 LYS 14 HB2 LYS 14 -11.987 -17.849 4.306 118 HB3 LYS 14 HB3 LYS 14 -11.807 -16.158 3.864 119 HG2 LYS 14 HG2 LYS 14 -9.632 -16.684 4.235 120 HG3 LYS 14 HG3 LYS 14 -10.082 -16.176 5.862 121 HD2 LYS 14 HD2 LYS 14 -10.413 -18.501 6.512 122 HD3 LYS 14 HD3 LYS 14 -10.020 -19.027 4.873 123 HE2 LYS 14 HE2 LYS 14 -7.784 -18.007 5.125 124 HE3 LYS 14 HE3 LYS 14 -8.187 -17.592 6.789 125 HZ1 LYS 14 HZ1 LYS 14 -6.872 -19.649 6.565 126 HZ2 LYS 14 HZ2 LYS 14 -8.162 -20.362 5.723 127 HZ3 LYS 14 HZ3 LYS 14 -8.360 -19.898 7.342 128 H ASP 15 H ASP 15 -11.352 -15.781 7.809 129 HA ASP 15 HA ASP 15 -11.167 -18.321 9.114 130 HB2 ASP 15 HB2 ASP 15 -9.434 -16.553 9.298 131 HB3 ASP 15 HB3 ASP 15 -10.572 -15.552 10.188 132 H GLN 16 H GLN 16 -12.986 -15.345 9.637 133 HA GLN 16 HA GLN 16 -14.421 -16.212 11.920 134 HB2 GLN 16 HB2 GLN 16 -15.422 -14.207 9.894 135 HB3 GLN 16 HB3 GLN 16 -15.847 -14.321 11.594 136 HG2 GLN 16 HG2 GLN 16 -13.171 -13.973 11.718 137 HG3 GLN 16 HG3 GLN 16 -13.576 -13.062 10.271 138 HE21 GLN 16 HE21 GLN 16 -13.218 -11.112 11.106 139 HE22 GLN 16 HE22 GLN 16 -14.174 -10.377 12.343 140 H GLY 17 H GLY 17 -14.590 -17.114 8.692 141 HA2 GLY 17 HA2 GLY 17 -15.862 -18.938 7.940 142 HA3 GLY 17 HA3 GLY 17 -17.002 -18.645 9.244 143 H CYS 18 H CYS 18 -15.866 -16.058 7.202 144 HA CYS 18 HA CYS 18 -18.572 -15.894 6.067 145 HB2 CYS 18 HB2 CYS 18 -17.338 -13.894 7.203 146 HB3 CYS 18 HB3 CYS 18 -16.446 -13.797 5.688 147 H GLU 19 H GLU 19 -18.944 -16.080 3.891 148 HA GLU 19 HA GLU 19 -16.581 -16.213 2.127 149 HB2 GLU 19 HB2 GLU 19 -17.538 -18.419 2.253 150 HB3 GLU 19 HB3 GLU 19 -19.155 -17.788 1.984 151 HG2 GLU 19 HG2 GLU 19 -18.561 -17.167 -0.283 152 HG3 GLU 19 HG3 GLU 19 -16.914 -17.737 -0.024 153 H ASP 20 H ASP 20 -19.427 -14.647 2.909 154 HA ASP 20 HA ASP 20 -20.120 -13.773 0.258 155 HB2 ASP 20 HB2 ASP 20 -21.807 -14.318 2.066 156 HB3 ASP 20 HB3 ASP 20 -21.282 -12.850 2.882 157 H PHE 21 H PHE 21 -18.109 -12.737 -0.145 158 HA PHE 21 HA PHE 21 -18.346 -9.923 0.126 159 HB2 PHE 21 HB2 PHE 21 -16.090 -9.576 1.222 160 HB3 PHE 21 HB3 PHE 21 -17.361 -10.154 2.290 161 HD1 PHE 21 HD2 PHE 21 -17.334 -12.429 3.129 162 HD2 PHE 21 HD1 PHE 21 -14.160 -10.941 0.726 163 HE1 PHE 21 HE2 PHE 21 -15.933 -14.289 3.850 164 HE2 PHE 21 HE1 PHE 21 -12.738 -12.812 1.449 165 HZ PHE 21 HZ PHE 21 -13.613 -14.490 3.019 166 H GLY 22 H GLY 22 -16.896 -8.793 -1.233 167 HA2 GLY 22 HA2 GLY 22 -14.751 -9.946 -2.630 168 HA3 GLY 22 HA3 GLY 22 -16.208 -10.164 -3.591 169 H THR 23 H THR 23 -13.971 -8.606 -4.374 170 HA THR 23 HA THR 23 -14.715 -5.837 -3.948 171 HB THR 23 HB THR 23 -12.728 -5.592 -5.670 172 HG1 THR 23 HG1 THR 23 -11.466 -7.354 -5.834 173 HG21 THR 23 HG21 THR 23 -12.312 -6.496 -2.819 174 HG22 THR 23 HG22 THR 23 -12.684 -4.851 -3.333 175 HG23 THR 23 HG23 THR 23 -11.153 -5.594 -3.797 176 H LYS 24 H LYS 24 -15.544 -4.467 -5.488 177 HA LYS 24 HA LYS 24 -16.177 -5.689 -8.089 178 HB2 LYS 24 HB2 LYS 24 -18.168 -4.429 -8.245 179 HB3 LYS 24 HB3 LYS 24 -18.153 -5.079 -6.618 180 HG2 LYS 24 HG2 LYS 24 -18.687 -3.005 -5.997 181 HG3 LYS 24 HG3 LYS 24 -16.978 -2.642 -6.249 182 HD2 LYS 24 HD2 LYS 24 -17.423 -1.853 -8.482 183 HD3 LYS 24 HD3 LYS 24 -19.103 -2.379 -8.379 184 HE2 LYS 24 HE2 LYS 24 -19.440 -0.764 -6.524 185 HE3 LYS 24 HE3 LYS 24 -17.791 -0.188 -6.771 186 HZ1 LYS 24 HZ1 LYS 24 -20.024 -0.068 -8.726 187 HZ2 LYS 24 HZ2 LYS 24 -18.427 0.384 -9.066 188 HZ3 LYS 24 HZ3 LYS 24 -19.319 1.244 -7.919 189 H CYS 25 H CYS 25 -15.452 -4.722 -9.865 190 HA CYS 25 HA CYS 25 -14.260 -2.051 -9.593 191 HB2 CYS 25 HB2 CYS 25 -12.462 -2.913 -11.213 192 HB3 CYS 25 HB3 CYS 25 -12.349 -3.420 -9.532 193 HG CYS 25 HG CYS 25 -14.119 -5.589 -11.301 194 H VAL 26 H VAL 26 -15.761 -0.943 -10.694 195 HA VAL 26 HA VAL 26 -16.029 -1.576 -13.539 196 HB VAL 26 HB VAL 26 -18.033 -2.510 -12.445 197 HG11 VAL 26 HG11 VAL 26 -19.669 -1.044 -11.366 198 HG12 VAL 26 HG12 VAL 26 -18.549 0.309 -11.508 199 HG13 VAL 26 HG13 VAL 26 -18.139 -1.070 -10.488 200 HG21 VAL 26 HG21 VAL 26 -19.715 -1.416 -13.814 201 HG22 VAL 26 HG22 VAL 26 -18.209 -1.597 -14.712 202 HG23 VAL 26 HG23 VAL 26 -18.653 -0.028 -14.040 203 H ILE 27 H ILE 27 -16.121 0.239 -14.845 204 HA ILE 27 HA ILE 27 -15.425 2.726 -13.558 205 HB ILE 27 HB ILE 27 -15.846 2.069 -16.473 206 HG12 ILE 27 HG12 ILE 27 -13.337 2.690 -14.912 207 HG13 ILE 27 HG13 ILE 27 -13.861 1.064 -15.353 208 HG21 ILE 27 HG21 ILE 27 -14.769 4.607 -15.248 209 HG22 ILE 27 HG22 ILE 27 -16.383 4.426 -15.942 210 HG23 ILE 27 HG23 ILE 27 -14.956 4.264 -16.970 211 HD11 ILE 27 HD11 ILE 27 -13.162 3.270 -17.274 212 HD12 ILE 27 HD12 ILE 27 -13.652 1.632 -17.710 213 HD13 ILE 27 HD13 ILE 27 -12.135 1.902 -16.849 214 H GLU 28 H GLU 28 -16.719 4.349 -13.121 215 HA GLU 28 HA GLU 28 -19.474 4.261 -14.139 216 HB2 GLU 28 HB2 GLU 28 -18.556 5.091 -11.380 217 HB3 GLU 28 HB3 GLU 28 -20.215 5.171 -11.967 218 HG2 GLU 28 HG2 GLU 28 -20.086 2.694 -12.347 219 HG3 GLU 28 HG3 GLU 28 -18.550 2.715 -11.487 220 H GLU 29 H GLU 29 -19.319 5.728 -15.693 221 HA GLU 29 HA GLU 29 -17.696 8.071 -15.448 222 HB2 GLU 29 HB2 GLU 29 -18.695 8.614 -17.707 223 HB3 GLU 29 HB3 GLU 29 -17.794 7.110 -17.602 224 HG2 GLU 29 HG2 GLU 29 -19.993 5.938 -17.286 225 HG3 GLU 29 HG3 GLU 29 -20.775 7.465 -17.694 226 H VAL 30 H VAL 30 -18.330 10.195 -15.342 227 HA VAL 30 HA VAL 30 -21.076 10.612 -14.349 228 HB VAL 30 HB VAL 30 -18.662 12.257 -13.585 229 HG11 VAL 30 HG11 VAL 30 -21.443 12.087 -12.437 230 HG12 VAL 30 HG12 VAL 30 -20.762 13.431 -13.354 231 HG13 VAL 30 HG13 VAL 30 -20.119 13.037 -11.760 232 HG21 VAL 30 HG21 VAL 30 -18.730 11.079 -11.427 233 HG22 VAL 30 HG22 VAL 30 -18.319 10.014 -12.770 234 HG23 VAL 30 HG23 VAL 30 -19.943 9.980 -12.083 235 H LYS 31 H LYS 31 -21.798 11.049 -16.410 236 HA LYS 31 HA LYS 31 -21.755 13.704 -17.305 237 HB2 LYS 31 HB2 LYS 31 -19.436 12.463 -18.052 238 HB3 LYS 31 HB3 LYS 31 -20.472 12.055 -19.409 239 HG2 LYS 31 HG2 LYS 31 -19.323 14.020 -20.008 240 HG3 LYS 31 HG3 LYS 31 -20.975 14.513 -19.623 241 HD2 LYS 31 HD2 LYS 31 -20.278 15.254 -17.426 242 HD3 LYS 31 HD3 LYS 31 -18.642 14.664 -17.716 243 HE2 LYS 31 HE2 LYS 31 -18.669 17.040 -18.035 244 HE3 LYS 31 HE3 LYS 31 -18.452 16.260 -19.601 245 HZ1 LYS 31 HZ1 LYS 31 -20.769 16.629 -20.097 246 HZ2 LYS 31 HZ2 LYS 31 -20.042 18.101 -19.673 247 HZ3 LYS 31 HZ3 LYS 31 -21.034 17.296 -18.559 248 H SER 32 H SER 32 -22.439 13.337 -19.971 249 HA SER 32 HA SER 32 -24.957 12.088 -19.897 250 HB2 SER 32 HB2 SER 32 -23.287 12.629 -22.363 251 HB3 SER 32 HB3 SER 32 -25.044 12.492 -22.274 252 HG SER 32 HG SER 32 -23.692 14.680 -22.126 253 H SER 33 H SER 33 -25.059 9.969 -19.382 254 HA SER 33 HA SER 33 -23.084 8.067 -20.163 255 HB2 SER 33 HB2 SER 33 -25.893 7.505 -19.192 256 HB3 SER 33 HB3 SER 33 -24.484 6.450 -19.066 257 HG SER 33 HG SER 33 -23.903 8.810 -17.950 258 H HIS 34 H HIS 34 -26.111 9.170 -21.462 259 HA HIS 34 HA HIS 34 -26.239 7.138 -23.518 260 HB2 HIS 34 HB2 HIS 34 -27.803 9.710 -23.205 261 HB3 HIS 34 HB3 HIS 34 -28.169 8.420 -24.343 262 HD1 HIS 34 HD1 HIS 34 -29.110 6.154 -23.284 263 HD2 HIS 34 HD2 HIS 34 -28.721 9.357 -20.658 264 HE1 HIS 34 HE1 HIS 34 -30.447 5.553 -21.224 265 H LYS 35 H LYS 35 -23.797 8.297 -23.570 266 HA LYS 35 HA LYS 35 -23.475 10.566 -25.174 267 HB2 LYS 35 HB2 LYS 35 -21.152 9.641 -25.559 268 HB3 LYS 35 HB3 LYS 35 -21.628 9.861 -23.882 269 HG2 LYS 35 HG2 LYS 35 -22.141 7.460 -23.732 270 HG3 LYS 35 HG3 LYS 35 -21.587 7.257 -25.395 271 HD2 LYS 35 HD2 LYS 35 -19.357 7.950 -24.784 272 HD3 LYS 35 HD3 LYS 35 -19.889 8.344 -23.148 273 HE2 LYS 35 HE2 LYS 35 -19.898 5.599 -24.397 274 HE3 LYS 35 HE3 LYS 35 -18.727 6.196 -23.222 275 HZ1 LYS 35 HZ1 LYS 35 -20.442 6.390 -21.584 276 HZ2 LYS 35 HZ2 LYS 35 -20.505 4.823 -22.237 277 HZ3 LYS 35 HZ3 LYS 35 -21.639 5.981 -22.712 278 H THR 36 H THR 36 -22.792 10.780 -27.340 279 HA THR 36 HA THR 36 -24.455 9.230 -29.054 280 HB THR 36 HB THR 36 -24.062 11.705 -29.258 281 HG1 THR 36 HG1 THR 36 -24.689 10.018 -31.039 282 HG21 THR 36 HG21 THR 36 -21.457 10.792 -30.481 283 HG22 THR 36 HG22 THR 36 -21.648 11.765 -29.022 284 HG23 THR 36 HG23 THR 36 -22.112 12.426 -30.589 285 H LEU 37 H LEU 37 -21.393 8.657 -27.934 286 HA LEU 37 HA LEU 37 -19.674 7.296 -28.514 287 HB2 LEU 37 HB2 LEU 37 -21.728 6.083 -30.361 288 HB3 LEU 37 HB3 LEU 37 -20.177 5.365 -29.971 289 HG LEU 37 HG LEU 37 -22.408 5.885 -28.001 290 HD11 LEU 37 HD11 LEU 37 -22.613 3.440 -27.954 291 HD12 LEU 37 HD12 LEU 37 -21.418 3.324 -29.245 292 HD13 LEU 37 HD13 LEU 37 -22.970 4.104 -29.547 293 HD21 LEU 37 HD21 LEU 37 -21.034 4.547 -26.461 294 HD22 LEU 37 HD22 LEU 37 -20.233 6.043 -26.939 295 HD23 LEU 37 HD23 LEU 37 -19.743 4.511 -27.662 296 H LEU 38 H LEU 38 -18.219 8.646 -29.430 297 HA LEU 38 HA LEU 38 -18.231 8.934 -32.328 298 HB2 LEU 38 HB2 LEU 38 -18.201 11.302 -32.334 299 HB3 LEU 38 HB3 LEU 38 -19.546 10.847 -31.307 300 HG LEU 38 HG LEU 38 -16.842 11.618 -30.215 301 HD11 LEU 38 HD11 LEU 38 -19.263 13.357 -30.654 302 HD12 LEU 38 HD12 LEU 38 -17.706 13.493 -31.475 303 HD13 LEU 38 HD13 LEU 38 -17.822 13.812 -29.744 304 HD21 LEU 38 HD21 LEU 38 -18.392 10.298 -28.790 305 HD22 LEU 38 HD22 LEU 38 -19.530 11.643 -28.881 306 HD23 LEU 38 HD23 LEU 38 -17.933 11.875 -28.140 307 H ASN 39 H ASN 39 -16.313 11.123 -32.134 308 HA ASN 39 HA ASN 39 -13.912 9.607 -31.651 309 HB2 ASN 39 HB2 ASN 39 -14.165 11.134 -33.572 310 HB3 ASN 39 HB3 ASN 39 -14.337 12.481 -32.445 311 HD21 ASN 39 HD21 ASN 39 -12.177 10.120 -33.786 312 HD22 ASN 39 HD22 ASN 39 -10.702 10.892 -33.302 313 H THR 40 H THR 40 -14.946 12.859 -30.583 314 HA THR 40 HA THR 40 -12.899 12.916 -28.589 315 HB THR 40 HB THR 40 -14.023 15.126 -27.969 316 HG1 THR 40 HG1 THR 40 -15.356 14.824 -30.454 317 HG21 THR 40 HG21 THR 40 -12.049 15.010 -29.393 318 HG22 THR 40 HG22 THR 40 -13.159 16.247 -29.986 319 HG23 THR 40 HG23 THR 40 -13.062 14.685 -30.799 320 H GLU 41 H GLU 41 -16.451 13.329 -28.225 321 HA GLU 41 HA GLU 41 -16.284 12.906 -25.427 322 HB2 GLU 41 HB2 GLU 41 -18.471 13.451 -27.318 323 HB3 GLU 41 HB3 GLU 41 -18.913 12.657 -25.815 324 HG2 GLU 41 HG2 GLU 41 -19.180 14.985 -25.504 325 HG3 GLU 41 HG3 GLU 41 -17.754 14.490 -24.593 326 H LEU 42 H LEU 42 -15.612 10.690 -27.464 327 HA LEU 42 HA LEU 42 -17.245 8.490 -26.811 328 HB2 LEU 42 HB2 LEU 42 -15.522 8.631 -28.660 329 HB3 LEU 42 HB3 LEU 42 -14.289 8.436 -27.434 330 HG LEU 42 HG LEU 42 -14.922 6.373 -28.781 331 HD11 LEU 42 HD11 LEU 42 -15.147 6.182 -25.783 332 HD12 LEU 42 HD12 LEU 42 -13.642 6.250 -26.700 333 HD13 LEU 42 HD13 LEU 42 -14.727 4.871 -26.886 334 HD21 LEU 42 HD21 LEU 42 -17.328 6.676 -28.776 335 HD22 LEU 42 HD22 LEU 42 -17.361 6.509 -27.021 336 HD23 LEU 42 HD23 LEU 42 -16.894 5.138 -28.028 337 H HIS 43 H HIS 43 -14.276 9.793 -25.425 338 HA HIS 43 HA HIS 43 -14.781 8.237 -22.987 339 HB2 HIS 43 HB2 HIS 43 -12.288 8.685 -22.528 340 HB3 HIS 43 HB3 HIS 43 -12.693 7.481 -23.743 341 HD1 HIS 43 HD1 HIS 43 -11.199 10.916 -23.373 342 HD2 HIS 43 HD2 HIS 43 -11.910 8.086 -26.333 343 HE1 HIS 43 HE1 HIS 43 -9.870 11.652 -25.391 344 H LEU 44 H LEU 44 -16.185 9.761 -22.182 345 HA LEU 44 HA LEU 44 -15.249 12.466 -21.722 346 HB2 LEU 44 HB2 LEU 44 -17.574 12.605 -20.567 347 HB3 LEU 44 HB3 LEU 44 -17.457 12.570 -22.313 348 HG LEU 44 HG LEU 44 -17.924 10.089 -22.192 349 HD11 LEU 44 HD11 LEU 44 -18.998 9.233 -20.187 350 HD12 LEU 44 HD12 LEU 44 -18.698 10.761 -19.359 351 HD13 LEU 44 HD13 LEU 44 -17.344 9.741 -19.846 352 HD21 LEU 44 HD21 LEU 44 -20.321 10.418 -21.917 353 HD22 LEU 44 HD22 LEU 44 -19.593 11.722 -22.854 354 HD23 LEU 44 HD23 LEU 44 -20.024 11.984 -21.164 355 H THR 45 H THR 45 -16.364 13.124 -19.309 356 HA THR 45 HA THR 45 -14.373 12.390 -17.501 357 HB THR 45 HB THR 45 -17.076 13.271 -16.544 358 HG1 THR 45 HG1 THR 45 -15.548 15.393 -17.166 359 HG21 THR 45 HG21 THR 45 -15.694 14.631 -15.020 360 HG22 THR 45 HG22 THR 45 -14.242 13.972 -15.773 361 HG23 THR 45 HG23 THR 45 -15.337 12.909 -14.889 362 H LYS 46 H LYS 46 -14.056 10.376 -16.843 363 HA LYS 46 HA LYS 46 -16.369 8.883 -15.842 364 HB2 LYS 46 HB2 LYS 46 -15.888 7.071 -17.080 365 HB3 LYS 46 HB3 LYS 46 -14.960 8.184 -18.070 366 HG2 LYS 46 HG2 LYS 46 -13.794 6.621 -15.780 367 HG3 LYS 46 HG3 LYS 46 -13.802 6.057 -17.450 368 HD2 LYS 46 HD2 LYS 46 -12.323 7.731 -18.142 369 HD3 LYS 46 HD3 LYS 46 -12.639 8.721 -16.711 370 HE2 LYS 46 HE2 LYS 46 -11.486 7.176 -15.308 371 HE3 LYS 46 HE3 LYS 46 -11.314 6.020 -16.626 372 HZ1 LYS 46 HZ1 LYS 46 -9.868 7.566 -17.773 373 HZ2 LYS 46 HZ2 LYS 46 -9.261 7.255 -16.220 374 HZ3 LYS 46 HZ3 LYS 46 -10.057 8.714 -16.539 375 H TYR 47 H TYR 47 -15.972 7.481 -14.076 376 HA TYR 47 HA TYR 47 -13.396 7.877 -12.733 377 HB2 TYR 47 HB2 TYR 47 -16.154 8.003 -11.497 378 HB3 TYR 47 HB3 TYR 47 -14.680 7.835 -10.552 379 HD1 TYR 47 HD2 TYR 47 -16.502 10.088 -12.858 380 HD2 TYR 47 HD1 TYR 47 -13.362 9.721 -10.021 381 HE1 TYR 47 HE2 TYR 47 -16.261 12.532 -12.821 382 HE2 TYR 47 HE1 TYR 47 -13.110 12.168 -9.972 383 HH TYR 47 HH TYR 47 -13.652 14.109 -11.682 384 H TYR 48 H TYR 48 -12.710 6.147 -11.447 385 HA TYR 48 HA TYR 48 -13.836 3.602 -12.276 386 HB2 TYR 48 HB2 TYR 48 -11.289 4.439 -10.945 387 HB3 TYR 48 HB3 TYR 48 -11.824 2.765 -10.827 388 HD1 TYR 48 HD2 TYR 48 -10.953 5.432 -13.275 389 HD2 TYR 48 HD1 TYR 48 -11.489 1.273 -12.592 390 HE1 TYR 48 HE2 TYR 48 -9.973 4.951 -15.476 391 HE2 TYR 48 HE1 TYR 48 -10.515 0.778 -14.790 392 HH TYR 48 HH TYR 48 -8.876 3.152 -16.657 393 H GLY 49 H GLY 49 -15.422 2.751 -11.137 394 HA2 GLY 49 HA2 GLY 49 -15.877 3.629 -8.403 395 HA3 GLY 49 HA3 GLY 49 -16.966 2.663 -9.388 396 H PHE 50 H PHE 50 -13.959 2.559 -7.557 397 HA PHE 50 HA PHE 50 -14.047 -0.319 -7.333 398 HB2 PHE 50 HB2 PHE 50 -12.232 1.848 -6.396 399 HB3 PHE 50 HB3 PHE 50 -12.236 0.340 -5.489 400 HD1 PHE 50 HD2 PHE 50 -11.725 -1.800 -6.696 401 HD2 PHE 50 HD1 PHE 50 -11.089 2.032 -8.442 402 HE1 PHE 50 HE2 PHE 50 -10.192 -2.804 -8.333 403 HE2 PHE 50 HE1 PHE 50 -9.563 1.032 -10.070 404 HZ PHE 50 HZ PHE 50 -9.104 -1.383 -10.025 405 H SER 51 H SER 51 -14.914 -1.467 -5.713 406 HA SER 51 HA SER 51 -15.466 -0.240 -3.155 407 HB2 SER 51 HB2 SER 51 -17.754 -1.425 -4.743 408 HB3 SER 51 HB3 SER 51 -17.837 -0.705 -3.137 409 HG SER 51 HG SER 51 -16.728 1.069 -4.764 410 H PHE 52 H PHE 52 -15.917 -1.775 -1.523 411 HA PHE 52 HA PHE 52 -15.437 -4.558 -2.350 412 HB2 PHE 52 HB2 PHE 52 -13.769 -3.536 -0.734 413 HB3 PHE 52 HB3 PHE 52 -15.080 -3.446 0.439 414 HD1 PHE 52 HD2 PHE 52 -16.146 -5.527 1.271 415 HD2 PHE 52 HD1 PHE 52 -12.682 -5.591 -1.202 416 HE1 PHE 52 HE2 PHE 52 -15.752 -7.875 1.886 417 HE2 PHE 52 HE1 PHE 52 -12.289 -7.938 -0.595 418 HZ PHE 52 HZ PHE 52 -13.827 -9.082 0.948 419 H PHE 53 H PHE 53 -17.073 -5.892 -2.231 420 HA PHE 53 HA PHE 53 -19.527 -4.992 -0.932 421 HB2 PHE 53 HB2 PHE 53 -18.874 -6.817 -3.151 422 HB3 PHE 53 HB3 PHE 53 -20.205 -7.340 -2.121 423 HD1 PHE 53 HD1 PHE 53 -22.217 -6.005 -1.920 424 HD2 PHE 53 HD2 PHE 53 -19.087 -4.899 -4.573 425 HE1 PHE 53 HE1 PHE 53 -23.753 -4.464 -3.075 426 HE2 PHE 53 HE2 PHE 53 -20.611 -3.356 -5.738 427 HZ PHE 53 HZ PHE 53 -22.948 -3.134 -4.985 428 H ARG 54 H ARG 54 -20.559 -6.049 0.640 429 HA ARG 54 HA ARG 54 -19.410 -8.492 1.777 430 HB2 ARG 54 HB2 ARG 54 -18.228 -6.854 3.002 431 HB3 ARG 54 HB3 ARG 54 -19.638 -5.814 3.120 432 HG2 ARG 54 HG2 ARG 54 -19.172 -6.795 5.256 433 HG3 ARG 54 HG3 ARG 54 -20.689 -7.435 4.628 434 HD2 ARG 54 HD2 ARG 54 -19.674 -9.501 4.047 435 HD3 ARG 54 HD3 ARG 54 -18.054 -8.860 4.335 436 HE ARG 54 HE ARG 54 -19.994 -9.686 6.350 437 HH11 ARG 54 1HH1 ARG 54 -16.971 -8.164 5.576 438 HH12 ARG 54 2HH1 ARG 54 -16.321 -8.296 7.180 439 HH21 ARG 54 1HH2 ARG 54 -19.148 -9.878 8.510 440 HH22 ARG 54 2HH2 ARG 54 -17.556 -9.280 8.842 441 H HIS 55 H HIS 55 -21.256 -9.729 1.558 442 HA HIS 55 HA HIS 55 -23.367 -10.496 1.898 443 HB2 HIS 55 HB2 HIS 55 -23.021 -8.595 4.167 444 HB3 HIS 55 HB3 HIS 55 -24.635 -9.217 3.847 445 HD1 HIS 55 HD1 HIS 55 -25.173 -11.417 4.890 446 HD2 HIS 55 HD2 HIS 55 -21.072 -10.766 4.600 447 HE1 HIS 55 HE1 HIS 55 -24.056 -13.326 6.121 448 H GLY 56 H GLY 56 -22.851 -8.206 0.072 449 HA2 GLY 56 HA2 GLY 56 -24.322 -7.225 -1.474 450 HA3 GLY 56 HA3 GLY 56 -25.642 -7.467 -0.337 451 H ASN 57 H ASN 57 -23.283 -6.235 1.497 452 HA ASN 57 HA ASN 57 -24.264 -3.494 1.159 453 HB2 ASN 57 HB2 ASN 57 -22.586 -4.520 3.452 454 HB3 ASN 57 HB3 ASN 57 -23.548 -3.048 3.388 455 HD21 ASN 57 HD21 ASN 57 -23.518 -6.416 3.947 456 HD22 ASN 57 HD22 ASN 57 -25.161 -6.571 4.482 457 H ILE 58 H ILE 58 -22.444 -1.875 1.930 458 HA ILE 58 HA ILE 58 -20.047 -2.499 0.332 459 HB ILE 58 HB ILE 58 -21.555 0.093 0.616 460 HG12 ILE 58 HG12 ILE 58 -22.165 -1.604 -1.162 461 HG13 ILE 58 HG13 ILE 58 -21.772 0.007 -1.754 462 HG21 ILE 58 HG21 ILE 58 -18.781 -0.284 -0.505 463 HG22 ILE 58 HG22 ILE 58 -19.214 0.622 0.945 464 HG23 ILE 58 HG23 ILE 58 -19.747 1.188 -0.638 465 HD11 ILE 58 HD11 ILE 58 -20.827 -1.802 -3.124 466 HD12 ILE 58 HD12 ILE 58 -19.874 -2.329 -1.736 467 HD13 ILE 58 HD13 ILE 58 -19.593 -0.739 -2.450 468 H VAL 59 H VAL 59 -18.410 -2.834 1.620 469 HA VAL 59 HA VAL 59 -18.215 -1.458 4.184 470 HB VAL 59 HB VAL 59 -16.508 -3.617 2.932 471 HG11 VAL 59 HG11 VAL 59 -15.052 -2.265 4.287 472 HG12 VAL 59 HG12 VAL 59 -15.409 -3.756 5.161 473 HG13 VAL 59 HG13 VAL 59 -16.220 -2.255 5.608 474 HG21 VAL 59 HG21 VAL 59 -17.417 -5.003 4.732 475 HG22 VAL 59 HG22 VAL 59 -18.695 -4.350 3.700 476 HG23 VAL 59 HG23 VAL 59 -18.392 -3.639 5.284 477 H ALA 60 H ALA 60 -16.645 -1.628 1.056 478 HA ALA 60 HA ALA 60 -15.143 0.799 1.787 479 HB1 ALA 60 1HB ALA 60 -13.292 0.067 0.382 480 HB2 ALA 60 HB2 ALA 60 -14.139 -1.444 0.042 481 HB3 ALA 60 HB3 ALA 60 -13.597 -1.087 1.682 482 H TYR 61 H TYR 61 -15.297 2.444 0.403 483 HA TYR 61 HA TYR 61 -16.127 1.894 -2.340 484 HB2 TYR 61 HB2 TYR 61 -18.160 2.579 -1.116 485 HB3 TYR 61 HB3 TYR 61 -17.354 4.069 -0.629 486 HD1 TYR 61 HD1 TYR 61 -18.433 2.152 -3.612 487 HD2 TYR 61 HD2 TYR 61 -17.424 5.964 -2.026 488 HE1 TYR 61 HE1 TYR 61 -19.141 3.197 -5.715 489 HE2 TYR 61 HE2 TYR 61 -18.134 7.030 -4.127 490 HH TYR 61 HH TYR 61 -19.861 5.322 -6.572 491 H GLY 62 H GLY 62 -14.898 2.903 -3.761 492 HA2 GLY 62 HA2 GLY 62 -13.595 5.418 -3.044 493 HA3 GLY 62 HA3 GLY 62 -12.555 4.060 -3.453 494 H LYS 63 H LYS 63 -14.847 6.383 -4.643 495 HA LYS 63 HA LYS 63 -14.383 5.494 -7.392 496 HB2 LYS 63 HB2 LYS 63 -16.696 5.910 -6.749 497 HB3 LYS 63 HB3 LYS 63 -16.279 7.538 -6.234 498 HG2 LYS 63 HG2 LYS 63 -15.632 8.049 -8.573 499 HG3 LYS 63 HG3 LYS 63 -16.244 6.459 -9.040 500 HD2 LYS 63 HD2 LYS 63 -17.945 8.110 -9.437 501 HD3 LYS 63 HD3 LYS 63 -18.435 7.076 -8.093 502 HE2 LYS 63 HE2 LYS 63 -17.581 8.807 -6.526 503 HE3 LYS 63 HE3 LYS 63 -17.268 9.849 -7.911 504 HZ1 LYS 63 HZ1 LYS 63 -19.697 9.621 -8.437 505 HZ2 LYS 63 HZ2 LYS 63 -19.333 10.488 -7.029 506 HZ3 LYS 63 HZ3 LYS 63 -19.889 8.892 -6.915 507 H SER 64 H SER 64 -12.741 6.429 -8.462 508 HA SER 64 HA SER 64 -12.240 9.267 -8.055 509 HB2 SER 64 HB2 SER 64 -10.764 8.080 -6.449 510 HB3 SER 64 HB3 SER 64 -10.042 7.202 -7.796 511 HG SER 64 HG SER 64 -9.831 9.923 -7.106 512 H ARG 65 H ARG 65 -10.661 10.113 -9.647 513 HA ARG 65 HA ARG 65 -11.437 9.306 -12.259 514 HB2 ARG 65 HB2 ARG 65 -11.023 11.634 -11.787 515 HB3 ARG 65 HB3 ARG 65 -9.383 11.287 -11.267 516 HG2 ARG 65 HG2 ARG 65 -8.746 10.711 -13.522 517 HG3 ARG 65 HG3 ARG 65 -10.410 10.921 -14.071 518 HD2 ARG 65 HD2 ARG 65 -10.348 13.252 -13.672 519 HD3 ARG 65 HD3 ARG 65 -8.846 13.127 -12.757 520 HE ARG 65 HE ARG 65 -7.827 12.421 -14.958 521 HH11 ARG 65 1HH1 ARG 65 -10.644 14.485 -14.808 522 HH12 ARG 65 2HH1 ARG 65 -10.276 15.329 -16.283 523 HH21 ARG 65 1HH2 ARG 65 -7.318 13.515 -16.885 524 HH22 ARG 65 2HH2 ARG 65 -8.372 14.760 -17.483 525 H LYS 66 H LYS 66 -8.687 8.708 -10.224 526 HA LYS 66 HA LYS 66 -7.345 7.265 -12.394 527 HB2 LYS 66 HB2 LYS 66 -6.324 8.039 -9.653 528 HB3 LYS 66 HB3 LYS 66 -5.393 7.205 -10.890 529 HG2 LYS 66 HG2 LYS 66 -5.699 9.173 -12.369 530 HG3 LYS 66 HG3 LYS 66 -6.488 10.006 -11.029 531 HD2 LYS 66 HD2 LYS 66 -4.164 10.672 -11.148 532 HD3 LYS 66 HD3 LYS 66 -4.441 9.723 -9.686 533 HE2 LYS 66 HE2 LYS 66 -3.493 7.759 -10.732 534 HE3 LYS 66 HE3 LYS 66 -3.321 8.621 -12.260 535 HZ1 LYS 66 HZ1 LYS 66 -1.232 8.482 -11.028 536 HZ2 LYS 66 HZ2 LYS 66 -1.925 9.333 -9.738 537 HZ3 LYS 66 HZ3 LYS 66 -1.725 10.091 -11.239 538 H VAL 67 H VAL 67 -7.131 5.110 -12.367 539 HA VAL 67 HA VAL 67 -8.998 3.579 -10.950 540 HB VAL 67 HB VAL 67 -8.143 2.895 -13.122 541 HG11 VAL 67 HG11 VAL 67 -5.839 3.626 -12.909 542 HG12 VAL 67 HG12 VAL 67 -5.923 1.935 -13.403 543 HG13 VAL 67 HG13 VAL 67 -5.535 2.348 -11.731 544 HG21 VAL 67 HG21 VAL 67 -9.087 1.128 -11.862 545 HG22 VAL 67 HG22 VAL 67 -7.609 0.924 -10.921 546 HG23 VAL 67 HG23 VAL 67 -7.630 0.500 -12.632 547 H ALA 68 H ALA 68 -5.510 3.936 -10.453 548 HA ALA 68 HA ALA 68 -5.335 2.129 -8.291 549 HB1 ALA 68 1HB ALA 68 -3.495 4.405 -9.004 550 HB2 ALA 68 HB2 ALA 68 -3.407 2.766 -9.650 551 HB3 ALA 68 HB3 ALA 68 -3.122 3.054 -7.933 552 H ASN 69 H ASN 69 -6.013 5.581 -8.484 553 HA ASN 69 HA ASN 69 -5.620 6.067 -5.696 554 HB2 ASN 69 HB2 ASN 69 -5.595 7.843 -7.517 555 HB3 ASN 69 HB3 ASN 69 -7.351 7.714 -7.542 556 HD21 ASN 69 HD21 ASN 69 -7.791 9.731 -6.777 557 HD22 ASN 69 HD22 ASN 69 -7.394 10.260 -5.174 558 H ALA 70 H ALA 70 -8.442 5.550 -7.757 559 HA ALA 70 HA ALA 70 -10.487 5.589 -5.887 560 HB1 ALA 70 1HB ALA 70 -11.677 4.121 -7.442 561 HB2 ALA 70 HB2 ALA 70 -10.155 3.745 -8.257 562 HB3 ALA 70 HB3 ALA 70 -10.808 5.385 -8.312 563 H LYS 71 H LYS 71 -8.444 2.966 -6.925 564 HA LYS 71 HA LYS 71 -9.427 0.893 -5.334 565 HB2 LYS 71 HB2 LYS 71 -7.870 0.952 -7.377 566 HB3 LYS 71 HB3 LYS 71 -6.588 1.262 -6.223 567 HG2 LYS 71 HG2 LYS 71 -6.910 -0.855 -5.201 568 HG3 LYS 71 HG3 LYS 71 -8.347 -1.168 -6.182 569 HD2 LYS 71 HD2 LYS 71 -6.281 -2.285 -7.040 570 HD3 LYS 71 HD3 LYS 71 -7.035 -1.181 -8.200 571 HE2 LYS 71 HE2 LYS 71 -5.452 0.536 -7.684 572 HE3 LYS 71 HE3 LYS 71 -4.740 -0.441 -6.398 573 HZ1 LYS 71 HZ1 LYS 71 -3.375 -0.555 -8.355 574 HZ2 LYS 71 HZ2 LYS 71 -4.687 -1.039 -9.306 575 HZ3 LYS 71 HZ3 LYS 71 -4.088 -2.073 -8.099 576 H TYR 72 H TYR 72 -6.793 3.215 -4.846 577 HA TYR 72 HA TYR 72 -5.812 2.372 -2.388 578 HB2 TYR 72 HB2 TYR 72 -4.603 4.050 -3.537 579 HB3 TYR 72 HB3 TYR 72 -6.019 5.082 -3.690 580 HD1 TYR 72 HD2 TYR 72 -3.438 3.864 -1.344 581 HD2 TYR 72 HD1 TYR 72 -6.614 6.627 -1.980 582 HE1 TYR 72 HE2 TYR 72 -2.755 5.105 0.668 583 HE2 TYR 72 HE1 TYR 72 -5.936 7.876 0.028 584 HH TYR 72 HH TYR 72 -4.704 7.409 2.162 585 H ILE 73 H ILE 73 -8.436 4.628 -3.097 586 HA ILE 73 HA ILE 73 -9.027 5.432 -0.500 587 HB ILE 73 HB ILE 73 -10.891 5.136 -2.853 588 HG12 ILE 73 HG12 ILE 73 -9.700 7.692 -1.831 589 HG13 ILE 73 HG13 ILE 73 -8.773 6.656 -2.913 590 HG21 ILE 73 HG21 ILE 73 -12.147 5.254 -0.768 591 HG22 ILE 73 HG22 ILE 73 -12.327 6.748 -1.690 592 HG23 ILE 73 HG23 ILE 73 -11.249 6.698 -0.295 593 HD11 ILE 73 HD11 ILE 73 -10.550 6.811 -4.571 594 HD12 ILE 73 HD12 ILE 73 -9.908 8.396 -4.143 595 HD13 ILE 73 HD13 ILE 73 -11.462 7.867 -3.493 596 H MET 74 H MET 74 -10.606 2.863 -2.423 597 HA MET 74 HA MET 74 -12.301 2.040 -0.326 598 HB2 MET 74 HB2 MET 74 -12.766 0.056 -1.641 599 HB3 MET 74 HB3 MET 74 -12.720 1.462 -2.694 600 HG2 MET 74 HG2 MET 74 -10.745 0.822 -3.675 601 HG3 MET 74 HG3 MET 74 -10.293 -0.220 -2.327 602 HE1 MET 74 HE1 MET 74 -9.569 -1.817 -4.395 603 HE2 MET 74 HE2 MET 74 -10.590 -3.258 -4.353 604 HE3 MET 74 HE3 MET 74 -10.032 -2.526 -2.844 605 H LYS 75 H LYS 75 -9.061 0.964 -1.316 606 HA LYS 75 HA LYS 75 -8.860 -1.232 0.389 607 HB2 LYS 75 HB2 LYS 75 -6.814 0.656 -0.746 608 HB3 LYS 75 HB3 LYS 75 -6.344 -0.651 0.334 609 HG2 LYS 75 HG2 LYS 75 -7.118 -2.303 -1.172 610 HG3 LYS 75 HG3 LYS 75 -7.948 -1.106 -2.166 611 HD2 LYS 75 HD2 LYS 75 -5.867 -0.181 -2.899 612 HD3 LYS 75 HD3 LYS 75 -4.962 -1.196 -1.769 613 HE2 LYS 75 HE2 LYS 75 -6.643 -2.213 -4.061 614 HE3 LYS 75 HE3 LYS 75 -4.890 -2.040 -4.094 615 HZ1 LYS 75 HZ1 LYS 75 -6.115 -4.295 -3.466 616 HZ2 LYS 75 HZ2 LYS 75 -6.005 -3.616 -1.920 617 HZ3 LYS 75 HZ3 LYS 75 -4.600 -3.870 -2.830 618 H GLN 76 H GLN 76 -8.030 2.172 1.002 619 HA GLN 76 HA GLN 76 -7.100 1.843 3.632 620 HB2 GLN 76 HB2 GLN 76 -8.387 4.202 2.257 621 HB3 GLN 76 HB3 GLN 76 -7.730 4.283 3.887 622 HG2 GLN 76 HG2 GLN 76 -6.181 3.563 1.410 623 HG3 GLN 76 HG3 GLN 76 -6.164 5.130 2.220 624 HE21 GLN 76 HE21 GLN 76 -4.004 3.223 1.711 625 HE22 GLN 76 HE22 GLN 76 -3.319 2.864 3.254 626 H ARG 77 H ARG 77 -10.325 1.893 2.373 627 HA ARG 77 HA ARG 77 -11.720 2.631 4.701 628 HB2 ARG 77 HB2 ARG 77 -12.617 0.831 2.449 629 HB3 ARG 77 HB3 ARG 77 -13.671 1.566 3.648 630 HG2 ARG 77 HG2 ARG 77 -11.938 3.179 1.797 631 HG3 ARG 77 HG3 ARG 77 -13.577 2.680 1.388 632 HD2 ARG 77 HD2 ARG 77 -13.668 4.908 2.242 633 HD3 ARG 77 HD3 ARG 77 -14.378 3.833 3.440 634 HE ARG 77 HE ARG 77 -11.648 4.931 3.657 635 HH11 ARG 77 1HH1 ARG 77 -14.656 3.859 5.077 636 HH12 ARG 77 2HH1 ARG 77 -14.262 4.432 6.676 637 HH21 ARG 77 1HH2 ARG 77 -11.108 5.680 5.774 638 HH22 ARG 77 2HH2 ARG 77 -12.250 5.476 7.063 639 H LEU 78 H LEU 78 -11.293 -0.679 3.351 640 HA LEU 78 HA LEU 78 -12.141 -1.882 5.809 641 HB2 LEU 78 HB2 LEU 78 -10.361 -3.424 4.000 642 HB3 LEU 78 HB3 LEU 78 -11.799 -3.932 4.866 643 HG LEU 78 HG LEU 78 -12.921 -2.264 3.072 644 HD11 LEU 78 HD11 LEU 78 -11.867 -2.642 0.894 645 HD12 LEU 78 HD12 LEU 78 -10.520 -3.462 1.687 646 HD13 LEU 78 HD13 LEU 78 -10.803 -1.746 1.976 647 HD21 LEU 78 HD21 LEU 78 -13.601 -4.534 3.520 648 HD22 LEU 78 HD22 LEU 78 -12.182 -5.155 2.678 649 HD23 LEU 78 HD23 LEU 78 -13.432 -4.293 1.782 650 H LEU 79 H LEU 79 -9.060 -0.940 4.469 651 HA LEU 79 HA LEU 79 -7.273 -2.330 6.050 652 HB2 LEU 79 HB2 LEU 79 -6.709 -0.846 4.135 653 HB3 LEU 79 HB3 LEU 79 -7.057 0.546 5.134 654 HG LEU 79 HG LEU 79 -4.598 -0.129 4.742 655 HD11 LEU 79 HD11 LEU 79 -3.950 0.686 6.927 656 HD12 LEU 79 HD12 LEU 79 -5.559 0.337 7.559 657 HD13 LEU 79 HD13 LEU 79 -5.346 1.586 6.330 658 HD21 LEU 79 HD21 LEU 79 -4.818 -2.492 5.241 659 HD22 LEU 79 HD22 LEU 79 -5.358 -2.114 6.877 660 HD23 LEU 79 HD23 LEU 79 -3.711 -1.725 6.381 661 H LYS 80 H LYS 80 -8.774 0.815 6.713 662 HA LYS 80 HA LYS 80 -7.656 1.081 9.286 663 HB2 LYS 80 HB2 LYS 80 -9.752 2.443 7.718 664 HB3 LYS 80 HB3 LYS 80 -9.872 2.603 9.465 665 HG2 LYS 80 HG2 LYS 80 -7.463 3.285 7.801 666 HG3 LYS 80 HG3 LYS 80 -8.612 4.437 8.484 667 HD2 LYS 80 HD2 LYS 80 -6.792 2.570 10.002 668 HD3 LYS 80 HD3 LYS 80 -6.659 4.329 9.897 669 HE2 LYS 80 HE2 LYS 80 -8.946 4.443 10.950 670 HE3 LYS 80 HE3 LYS 80 -8.815 2.706 11.241 671 HZ1 LYS 80 HZ1 LYS 80 -6.868 4.711 12.238 672 HZ2 LYS 80 HZ2 LYS 80 -6.921 3.066 12.632 673 HZ3 LYS 80 HZ3 LYS 80 -8.152 4.109 13.157 674 H LEU 81 H LEU 81 -10.566 -0.464 8.112 675 HA LEU 81 HA LEU 81 -11.865 -0.713 10.584 676 HB2 LEU 81 HB2 LEU 81 -12.131 -1.846 7.882 677 HB3 LEU 81 HB3 LEU 81 -12.755 -2.861 9.169 678 HG LEU 81 HG LEU 81 -14.332 -1.229 9.825 679 HD11 LEU 81 HD11 LEU 81 -14.466 0.995 8.855 680 HD12 LEU 81 HD12 LEU 81 -12.992 0.682 7.938 681 HD13 LEU 81 HD13 LEU 81 -12.939 0.744 9.701 682 HD21 LEU 81 HD21 LEU 81 -15.606 -0.822 7.772 683 HD22 LEU 81 HD22 LEU 81 -14.986 -2.471 7.860 684 HD23 LEU 81 HD23 LEU 81 -14.193 -1.286 6.823 685 H LEU 82 H LEU 82 -9.610 -2.881 8.886 686 HA LEU 82 HA LEU 82 -9.818 -4.867 10.957 687 HB2 LEU 82 HB2 LEU 82 -7.848 -5.900 9.736 688 HB3 LEU 82 HB3 LEU 82 -9.361 -5.768 8.865 689 HG LEU 82 HG LEU 82 -8.075 -3.445 8.163 690 HD11 LEU 82 HD11 LEU 82 -5.992 -4.155 9.194 691 HD12 LEU 82 HD12 LEU 82 -5.843 -4.117 7.435 692 HD13 LEU 82 HD13 LEU 82 -6.034 -5.660 8.269 693 HD21 LEU 82 HD21 LEU 82 -9.329 -4.830 6.674 694 HD22 LEU 82 HD22 LEU 82 -8.136 -6.123 6.798 695 HD23 LEU 82 HD23 LEU 82 -7.710 -4.602 6.014 696 H GLU 83 H GLU 83 -7.649 -2.197 10.255 697 HA GLU 83 HA GLU 83 -5.663 -2.940 12.176 698 HB2 GLU 83 HB2 GLU 83 -6.284 -0.286 10.874 699 HB3 GLU 83 HB3 GLU 83 -4.899 -0.566 11.920 700 HG2 GLU 83 HG2 GLU 83 -5.439 -2.059 9.369 701 HG3 GLU 83 HG3 GLU 83 -4.391 -0.649 9.500 702 H ASP 84 H ASP 84 -8.417 -0.741 12.208 703 HA ASP 84 HA ASP 84 -7.961 0.064 14.953 704 HB2 ASP 84 HB2 ASP 84 -8.866 1.643 13.279 705 HB3 ASP 84 HB3 ASP 84 -10.281 0.621 13.089 706 H LYS 85 H LYS 85 -9.560 -2.403 13.283 707 HA LYS 85 HA LYS 85 -10.870 -4.125 13.872 708 HB2 LYS 85 HB2 LYS 85 -10.184 -3.193 16.655 709 HB3 LYS 85 HB3 LYS 85 -11.100 -4.658 16.313 710 HG2 LYS 85 HG2 LYS 85 -8.325 -4.078 15.294 711 HG3 LYS 85 HG3 LYS 85 -8.706 -5.105 16.690 712 HD2 LYS 85 HD2 LYS 85 -10.155 -6.460 15.111 713 HD3 LYS 85 HD3 LYS 85 -9.419 -5.549 13.797 714 HE2 LYS 85 HE2 LYS 85 -7.886 -7.187 15.810 715 HE3 LYS 85 HE3 LYS 85 -8.356 -7.757 14.211 716 HZ1 LYS 85 HZ1 LYS 85 -6.447 -5.599 14.895 717 HZ2 LYS 85 HZ2 LYS 85 -7.086 -5.770 13.335 718 HZ3 LYS 85 HZ3 LYS 85 -6.156 -7.019 14.011 719 H SER 86 H SER 86 -12.046 -1.891 13.010 720 HA SER 86 HA SER 86 -14.353 -1.236 14.589 721 HB2 SER 86 HB2 SER 86 -13.980 -0.808 11.620 722 HB3 SER 86 HB3 SER 86 -14.999 0.112 12.728 723 HG SER 86 HG SER 86 -12.616 0.306 13.740 724 H ASN 87 H ASN 87 -16.351 -2.138 14.483 725 HA ASN 87 HA ASN 87 -16.506 -4.833 13.594 726 HB2 ASN 87 HB2 ASN 87 -18.744 -4.840 14.491 727 HB3 ASN 87 HB3 ASN 87 -17.696 -3.955 15.590 728 HD21 ASN 87 HD21 ASN 87 -17.876 -1.687 15.695 729 HD22 ASN 87 HD22 ASN 87 -19.322 -0.887 15.182 730 H LEU 88 H LEU 88 -16.756 -2.111 11.769 731 HA LEU 88 HA LEU 88 -19.118 -2.565 10.300 732 HB2 LEU 88 HB2 LEU 88 -16.611 -1.060 9.579 733 HB3 LEU 88 HB3 LEU 88 -18.039 -1.096 8.565 734 HG LEU 88 HG LEU 88 -18.215 0.921 9.715 735 HD11 LEU 88 HD11 LEU 88 -20.124 0.663 11.210 736 HD12 LEU 88 HD12 LEU 88 -19.806 -1.070 11.321 737 HD13 LEU 88 HD13 LEU 88 -20.284 -0.356 9.779 738 HD21 LEU 88 HD21 LEU 88 -16.436 0.561 11.337 739 HD22 LEU 88 HD22 LEU 88 -17.477 -0.526 12.256 740 HD23 LEU 88 HD23 LEU 88 -17.886 1.184 12.124 741 H LEU 89 H LEU 89 -15.761 -3.626 9.769 742 HA LEU 89 HA LEU 89 -16.777 -5.329 7.586 743 HB2 LEU 89 HB2 LEU 89 -14.910 -4.006 6.910 744 HB3 LEU 89 HB3 LEU 89 -13.977 -4.476 8.314 745 HG LEU 89 HG LEU 89 -14.144 -6.853 7.387 746 HD11 LEU 89 HD11 LEU 89 -15.909 -6.265 5.744 747 HD12 LEU 89 HD12 LEU 89 -14.526 -7.135 5.080 748 HD13 LEU 89 HD13 LEU 89 -14.675 -5.398 4.826 749 HD21 LEU 89 HD21 LEU 89 -12.173 -6.518 6.041 750 HD22 LEU 89 HD22 LEU 89 -12.120 -5.487 7.471 751 HD23 LEU 89 HD23 LEU 89 -12.537 -4.799 5.900 752 H LEU 90 H LEU 90 -16.020 -5.440 10.810 753 HA LEU 90 HA LEU 90 -15.128 -8.242 10.702 754 HB2 LEU 90 HB2 LEU 90 -14.649 -6.272 12.922 755 HB3 LEU 90 HB3 LEU 90 -13.878 -7.833 12.687 756 HG LEU 90 HG LEU 90 -13.567 -5.564 10.733 757 HD11 LEU 90 HD11 LEU 90 -11.891 -6.259 13.129 758 HD12 LEU 90 HD12 LEU 90 -12.762 -4.754 12.816 759 HD13 LEU 90 HD13 LEU 90 -11.374 -5.194 11.821 760 HD21 LEU 90 HD21 LEU 90 -11.593 -6.798 10.035 761 HD22 LEU 90 HD22 LEU 90 -13.041 -7.797 9.893 762 HD23 LEU 90 HD23 LEU 90 -11.929 -8.044 11.240 763 H TYR 91 H TYR 91 -17.951 -7.028 10.974 764 HA TYR 91 HA TYR 91 -18.825 -7.774 13.575 765 HB2 TYR 91 HB2 TYR 91 -21.078 -7.497 12.742 766 HB3 TYR 91 HB3 TYR 91 -20.079 -6.184 12.140 767 HD1 TYR 91 HD2 TYR 91 -21.720 -9.371 11.195 768 HD2 TYR 91 HD1 TYR 91 -19.816 -5.820 9.813 769 HE1 TYR 91 HE2 TYR 91 -22.461 -9.867 8.911 770 HE2 TYR 91 HE1 TYR 91 -20.553 -6.311 7.522 771 HH TYR 91 HH TYR 91 -22.939 -8.399 6.764 772 H SER 92 H SER 92 -20.311 -9.523 14.053 773 HA SER 92 HA SER 92 -19.397 -12.000 12.868 774 HB2 SER 92 HB2 SER 92 -20.835 -13.032 14.676 775 HB3 SER 92 HB3 SER 92 -19.533 -11.997 15.259 776 HG SER 92 HG SER 92 -21.644 -10.445 14.895 777 H CYS 93 H CYS 93 -20.581 -13.350 11.628 778 HA CYS 93 HA CYS 93 -23.354 -12.630 10.993 779 HB2 CYS 93 HB2 CYS 93 -22.978 -12.698 8.666 780 HB3 CYS 93 HB3 CYS 93 -21.657 -11.724 9.307 781 H ASN 94 H ASN 94 -24.268 -14.448 9.482 782 HA ASN 94 HA ASN 94 -23.417 -16.996 10.689 783 HB2 ASN 94 HB2 ASN 94 -25.681 -16.132 11.342 784 HB3 ASN 94 HB3 ASN 94 -26.169 -16.288 9.659 785 HD21 ASN 94 HD21 ASN 94 -25.350 -17.972 12.576 786 HD22 ASN 94 HD22 ASN 94 -25.941 -19.525 12.083 787 H CYS 95 H CYS 95 -21.867 -16.697 8.629 788 HA CYS 95 HA CYS 95 -23.145 -17.880 6.306 789 HB2 CYS 95 HB2 CYS 95 -20.320 -17.043 6.904 790 HB3 CYS 95 HB3 CYS 95 -20.694 -18.038 5.503 791 H LYS 96 H LYS 96 -22.244 -19.028 9.220 792 HA LYS 96 HA LYS 96 -22.213 -21.746 8.323 793 HB2 LYS 96 HB2 LYS 96 -20.086 -22.350 9.431 794 HB3 LYS 96 HB3 LYS 96 -19.851 -21.287 8.054 795 HG2 LYS 96 HG2 LYS 96 -19.617 -19.382 9.601 796 HG3 LYS 96 HG3 LYS 96 -19.779 -20.495 10.960 797 HD2 LYS 96 HD2 LYS 96 -17.613 -20.565 8.860 798 HD3 LYS 96 HD3 LYS 96 -17.436 -19.963 10.508 799 HE2 LYS 96 HE2 LYS 96 -17.980 -22.204 11.359 800 HE3 LYS 96 HE3 LYS 96 -18.084 -22.792 9.699 801 HZ1 LYS 96 HZ1 LYS 96 -15.659 -21.602 10.938 802 HZ2 LYS 96 HZ2 LYS 96 -15.769 -22.248 9.374 803 HZ3 LYS 96 HZ3 LYS 96 -15.932 -23.262 10.724 804 H PHE 97 H PHE 97 -21.608 -19.566 11.062 805 HA PHE 97 HA PHE 97 -23.814 -20.642 12.516 806 HB2 PHE 97 HB2 PHE 97 -22.637 -21.494 14.445 807 HB3 PHE 97 HB3 PHE 97 -22.031 -22.339 13.027 808 HD1 PHE 97 HD1 PHE 97 -21.252 -19.663 15.468 809 HD2 PHE 97 HD2 PHE 97 -19.749 -22.269 12.456 810 HE1 PHE 97 HE1 PHE 97 -18.955 -19.066 16.103 811 HE2 PHE 97 HE2 PHE 97 -17.449 -21.669 13.085 812 HZ PHE 97 HZ PHE 97 -17.048 -20.070 14.909 813 H SER 98 H SER 98 -24.139 -19.456 14.549 814 HA SER 98 HA SER 98 -22.408 -17.481 15.498 815 HB2 SER 98 HB2 SER 98 -23.698 -15.443 14.851 816 HB3 SER 98 HB3 SER 98 -22.863 -16.214 13.502 817 HG SER 98 HG SER 98 -25.503 -15.731 13.807 818 H LYS 99 H LYS 99 -23.671 -15.884 16.959 819 HA LYS 99 HA LYS 99 -25.613 -17.498 18.439 820 HB2 LYS 99 HB2 LYS 99 -24.489 -14.857 19.349 821 HB3 LYS 99 HB3 LYS 99 -25.068 -16.206 20.318 822 HG2 LYS 99 HG2 LYS 99 -22.571 -16.229 18.661 823 HG3 LYS 99 HG3 LYS 99 -22.642 -15.981 20.408 824 HD2 LYS 99 HD2 LYS 99 -23.336 -18.180 20.806 825 HD3 LYS 99 HD3 LYS 99 -23.835 -18.421 19.126 826 HE2 LYS 99 HE2 LYS 99 -21.531 -18.342 18.410 827 HE3 LYS 99 HE3 LYS 99 -21.010 -18.012 20.060 828 HZ1 LYS 99 HZ1 LYS 99 -22.412 -20.490 19.214 829 HZ2 LYS 99 HZ2 LYS 99 -21.750 -20.170 20.742 830 HZ3 LYS 99 HZ3 LYS 99 -20.730 -20.355 19.399 831 H LYS 100 H LYS 100 -25.250 -14.530 16.655 832 HA LYS 100 HA LYS 100 -28.045 -13.843 17.129 833 HB2 LYS 100 HB2 LYS 100 -26.362 -12.035 17.291 834 HB3 LYS 100 HB3 LYS 100 -25.904 -12.330 15.621 835 HG2 LYS 100 HG2 LYS 100 -27.297 -10.540 15.377 836 HG3 LYS 100 HG3 LYS 100 -28.430 -11.869 15.146 837 HD2 LYS 100 HD2 LYS 100 -27.998 -10.343 17.717 838 HD3 LYS 100 HD3 LYS 100 -29.344 -10.120 16.603 839 HE2 LYS 100 HE2 LYS 100 -29.999 -12.485 17.001 840 HE3 LYS 100 HE3 LYS 100 -28.714 -12.598 18.205 841 HZ1 LYS 100 HZ1 LYS 100 -31.073 -10.799 18.301 842 HZ2 LYS 100 HZ2 LYS 100 -29.796 -10.775 19.420 843 HZ3 LYS 100 HZ3 LYS 100 -30.784 -12.150 19.290 844 H LYS 101 H LYS 101 -29.563 -14.372 15.738 845 HA LYS 101 HA LYS 101 -28.768 -15.152 13.012 846 HB2 LYS 101 HB2 LYS 101 -31.043 -16.192 14.713 847 HB3 LYS 101 HB3 LYS 101 -30.830 -16.575 13.013 848 HG2 LYS 101 HG2 LYS 101 -29.978 -18.426 14.133 849 HG3 LYS 101 HG3 LYS 101 -28.545 -17.500 13.690 850 HD2 LYS 101 HD2 LYS 101 -28.385 -18.333 15.980 851 HD3 LYS 101 HD3 LYS 101 -28.443 -16.568 15.948 852 HE2 LYS 101 HE2 LYS 101 -30.808 -16.621 16.522 853 HE3 LYS 101 HE3 LYS 101 -30.792 -18.383 16.500 854 HZ1 LYS 101 HZ1 LYS 101 -29.129 -16.738 18.331 855 HZ2 LYS 101 HZ2 LYS 101 -29.345 -18.420 18.377 856 HZ3 LYS 101 HZ3 LYS 101 -30.638 -17.388 18.749 Start of MODEL 7 1 H MET 1 H MET 1 2.523 -5.124 7.798 2 HA MET 1 HA MET 1 1.667 -3.174 8.958 3 HB2 MET 1 HB2 MET 1 3.839 -2.145 9.458 4 HB3 MET 1 HB3 MET 1 4.107 -1.852 7.745 5 HG2 MET 1 HG2 MET 1 2.159 -0.355 7.718 6 HG3 MET 1 HG3 MET 1 1.952 -0.623 9.448 7 HE1 MET 1 HE1 MET 1 4.254 0.863 6.647 8 HE2 MET 1 HE2 MET 1 5.354 -0.250 7.461 9 HE3 MET 1 HE3 MET 1 5.611 1.492 7.581 10 H LYS 2 H LYS 2 3.348 -3.124 5.803 11 HA LYS 2 HA LYS 2 1.013 -1.839 4.608 12 HB2 LYS 2 HB2 LYS 2 2.403 -1.543 2.633 13 HB3 LYS 2 HB3 LYS 2 3.239 -0.956 4.062 14 HG2 LYS 2 HG2 LYS 2 4.655 -2.874 4.109 15 HG3 LYS 2 HG3 LYS 2 3.717 -3.664 2.839 16 HD2 LYS 2 HD2 LYS 2 5.271 -1.095 2.529 17 HD3 LYS 2 HD3 LYS 2 5.810 -2.686 1.985 18 HE2 LYS 2 HE2 LYS 2 3.948 -2.833 0.451 19 HE3 LYS 2 HE3 LYS 2 3.291 -1.311 1.052 20 HZ1 LYS 2 HZ1 LYS 2 5.884 -1.647 -0.363 21 HZ2 LYS 2 HZ2 LYS 2 5.267 -0.183 0.232 22 HZ3 LYS 2 HZ3 LYS 2 4.464 -0.989 -1.024 23 H GLY 3 H GLY 3 0.761 -2.684 2.172 24 HA2 GLY 3 HA2 GLY 3 0.984 -4.935 0.985 25 HA3 GLY 3 HA3 GLY 3 0.180 -5.559 2.421 26 H ASP 4 H ASP 4 -1.052 -6.088 0.137 27 HA ASP 4 HA ASP 4 -2.930 -4.005 -0.566 28 HB2 ASP 4 HB2 ASP 4 -2.043 -5.794 -2.159 29 HB3 ASP 4 HB3 ASP 4 -3.103 -6.927 -1.325 30 H ILE 5 H ILE 5 -5.095 -3.900 0.010 31 HA ILE 5 HA ILE 5 -5.673 -4.939 2.596 32 HB ILE 5 HB ILE 5 -6.507 -2.709 1.527 33 HG12 ILE 5 HG12 ILE 5 -8.355 -2.635 3.086 34 HG13 ILE 5 HG13 ILE 5 -8.460 -4.392 3.107 35 HG21 ILE 5 HG21 ILE 5 -8.635 -4.651 0.625 36 HG22 ILE 5 HG22 ILE 5 -7.635 -3.622 -0.399 37 HG23 ILE 5 HG23 ILE 5 -8.838 -2.903 0.670 38 HD11 ILE 5 HD11 ILE 5 -6.106 -2.813 4.093 39 HD12 ILE 5 HD12 ILE 5 -6.362 -4.551 4.245 40 HD13 ILE 5 HD13 ILE 5 -7.411 -3.423 5.106 41 H GLU 6 H GLU 6 -6.356 -5.995 -0.638 42 HA GLU 6 HA GLU 6 -8.676 -7.514 -0.051 43 HB2 GLU 6 HB2 GLU 6 -6.708 -7.506 -2.301 44 HB3 GLU 6 HB3 GLU 6 -7.772 -8.893 -2.129 45 HG2 GLU 6 HG2 GLU 6 -9.033 -7.625 -3.525 46 HG3 GLU 6 HG3 GLU 6 -9.626 -7.030 -1.978 47 H HIS 7 H HIS 7 -5.254 -8.125 0.207 48 HA HIS 7 HA HIS 7 -5.428 -10.876 0.854 49 HB2 HIS 7 HB2 HIS 7 -3.321 -9.547 0.261 50 HB3 HIS 7 HB3 HIS 7 -3.365 -8.945 1.916 51 HD1 HIS 7 HD1 HIS 7 -2.567 -12.012 -0.085 52 HD2 HIS 7 HD2 HIS 7 -2.669 -10.772 3.886 53 HE1 HIS 7 HE1 HIS 7 -1.340 -13.780 1.248 54 H LYS 8 H LYS 8 -5.269 -7.931 2.812 55 HA LYS 8 HA LYS 8 -5.210 -9.149 5.332 56 HB2 LYS 8 HB2 LYS 8 -6.564 -6.507 4.915 57 HB3 LYS 8 HB3 LYS 8 -5.540 -7.028 6.241 58 HG2 LYS 8 HG2 LYS 8 -4.611 -6.388 3.455 59 HG3 LYS 8 HG3 LYS 8 -4.465 -5.344 4.865 60 HD2 LYS 8 HD2 LYS 8 -3.082 -7.081 5.956 61 HD3 LYS 8 HD3 LYS 8 -3.159 -8.028 4.466 62 HE2 LYS 8 HE2 LYS 8 -2.063 -6.268 3.236 63 HE3 LYS 8 HE3 LYS 8 -2.094 -5.219 4.655 64 HZ1 LYS 8 HZ1 LYS 8 -0.568 -7.761 4.399 65 HZ2 LYS 8 HZ2 LYS 8 -0.644 -6.803 5.796 66 HZ3 LYS 8 HZ3 LYS 8 0.085 -6.196 4.393 67 H VAL 9 H VAL 9 -7.953 -7.787 3.528 68 HA VAL 9 HA VAL 9 -9.860 -8.246 5.539 69 HB VAL 9 HB VAL 9 -10.246 -6.667 3.724 70 HG11 VAL 9 HG11 VAL 9 -9.277 -7.850 1.859 71 HG12 VAL 9 HG12 VAL 9 -10.955 -7.440 1.500 72 HG13 VAL 9 HG13 VAL 9 -10.527 -9.089 1.960 73 HG21 VAL 9 HG21 VAL 9 -12.318 -8.850 3.810 74 HG22 VAL 9 HG22 VAL 9 -12.591 -7.182 3.305 75 HG23 VAL 9 HG23 VAL 9 -12.148 -7.539 4.974 76 H TYR 10 H TYR 10 -8.804 -10.274 2.833 77 HA TYR 10 HA TYR 10 -10.773 -12.276 3.284 78 HB2 TYR 10 HB2 TYR 10 -8.071 -12.515 1.951 79 HB3 TYR 10 HB3 TYR 10 -9.312 -13.752 1.927 80 HD1 TYR 10 HD2 TYR 10 -11.254 -10.995 1.717 81 HD2 TYR 10 HD1 TYR 10 -8.313 -13.011 -0.597 82 HE1 TYR 10 HE2 TYR 10 -12.197 -10.007 -0.324 83 HE2 TYR 10 HE1 TYR 10 -9.245 -12.026 -2.650 84 HH TYR 10 HH TYR 10 -11.443 -9.456 -2.614 85 H GLN 11 H GLN 11 -7.634 -11.554 4.613 86 HA GLN 11 HA GLN 11 -6.910 -14.061 5.586 87 HB2 GLN 11 HB2 GLN 11 -6.206 -11.295 6.515 88 HB3 GLN 11 HB3 GLN 11 -5.569 -12.725 7.316 89 HG2 GLN 11 HG2 GLN 11 -5.056 -11.720 4.550 90 HG3 GLN 11 HG3 GLN 11 -3.904 -12.100 5.828 91 HE21 GLN 11 HE21 GLN 11 -5.822 -13.326 3.250 92 HE22 GLN 11 HE22 GLN 11 -5.172 -14.928 3.235 93 H LEU 12 H LEU 12 -8.652 -11.480 7.269 94 HA LEU 12 HA LEU 12 -8.980 -13.206 9.575 95 HB2 LEU 12 HB2 LEU 12 -10.362 -11.020 10.269 96 HB3 LEU 12 HB3 LEU 12 -8.639 -11.201 10.489 97 HG LEU 12 HG LEU 12 -8.404 -10.043 8.205 98 HD11 LEU 12 HD11 LEU 12 -10.743 -10.240 7.524 99 HD12 LEU 12 HD12 LEU 12 -10.229 -8.553 7.598 100 HD13 LEU 12 HD13 LEU 12 -11.225 -9.229 8.887 101 HD21 LEU 12 HD21 LEU 12 -8.580 -7.826 9.261 102 HD22 LEU 12 HD22 LEU 12 -7.771 -9.002 10.296 103 HD23 LEU 12 HD23 LEU 12 -9.447 -8.555 10.615 104 H LEU 13 H LEU 13 -11.016 -11.766 7.074 105 HA LEU 13 HA LEU 13 -13.471 -12.459 8.239 106 HB2 LEU 13 HB2 LEU 13 -12.705 -12.038 5.370 107 HB3 LEU 13 HB3 LEU 13 -14.349 -12.394 5.867 108 HG LEU 13 HG LEU 13 -12.715 -9.953 6.518 109 HD11 LEU 13 HD11 LEU 13 -13.854 -9.952 4.381 110 HD12 LEU 13 HD12 LEU 13 -14.632 -8.819 5.488 111 HD13 LEU 13 HD13 LEU 13 -15.370 -10.387 5.166 112 HD21 LEU 13 HD21 LEU 13 -13.822 -10.672 8.564 113 HD22 LEU 13 HD22 LEU 13 -15.354 -10.812 7.703 114 HD23 LEU 13 HD23 LEU 13 -14.604 -9.230 7.916 115 H LYS 14 H LYS 14 -11.488 -14.262 5.913 116 HA LYS 14 HA LYS 14 -13.241 -16.473 5.723 117 HB2 LYS 14 HB2 LYS 14 -11.464 -17.651 4.662 118 HB3 LYS 14 HB3 LYS 14 -11.291 -15.967 4.175 119 HG2 LYS 14 HG2 LYS 14 -9.517 -15.650 5.781 120 HG3 LYS 14 HG3 LYS 14 -9.736 -17.289 6.382 121 HD2 LYS 14 HD2 LYS 14 -9.041 -18.191 4.227 122 HD3 LYS 14 HD3 LYS 14 -8.889 -16.555 3.580 123 HE2 LYS 14 HE2 LYS 14 -7.133 -16.058 5.184 124 HE3 LYS 14 HE3 LYS 14 -7.311 -17.655 5.905 125 HZ1 LYS 14 HZ1 LYS 14 -5.424 -17.539 4.392 126 HZ2 LYS 14 HZ2 LYS 14 -6.451 -17.121 3.111 127 HZ3 LYS 14 HZ3 LYS 14 -6.580 -18.648 3.839 128 H ASP 15 H ASP 15 -10.826 -15.539 8.046 129 HA ASP 15 HA ASP 15 -10.550 -18.044 9.366 130 HB2 ASP 15 HB2 ASP 15 -8.861 -16.316 9.595 131 HB3 ASP 15 HB3 ASP 15 -10.028 -15.224 10.318 132 H GLN 16 H GLN 16 -12.518 -15.182 9.922 133 HA GLN 16 HA GLN 16 -13.817 -16.097 12.263 134 HB2 GLN 16 HB2 GLN 16 -15.100 -14.246 10.261 135 HB3 GLN 16 HB3 GLN 16 -15.318 -14.287 12.004 136 HG2 GLN 16 HG2 GLN 16 -12.724 -13.733 11.911 137 HG3 GLN 16 HG3 GLN 16 -13.207 -13.061 10.361 138 HE21 GLN 16 HE21 GLN 16 -12.942 -10.981 10.874 139 HE22 GLN 16 HE22 GLN 16 -13.902 -10.126 12.028 140 H GLY 17 H GLY 17 -13.948 -17.295 9.185 141 HA2 GLY 17 HA2 GLY 17 -15.211 -19.131 8.488 142 HA3 GLY 17 HA3 GLY 17 -16.348 -18.816 9.795 143 H CYS 18 H CYS 18 -15.230 -16.352 7.558 144 HA CYS 18 HA CYS 18 -17.982 -16.236 6.513 145 HB2 CYS 18 HB2 CYS 18 -16.917 -14.210 7.673 146 HB3 CYS 18 HB3 CYS 18 -15.910 -14.063 6.234 147 H GLU 19 H GLU 19 -18.348 -16.764 4.424 148 HA GLU 19 HA GLU 19 -16.243 -16.055 2.514 149 HB2 GLU 19 HB2 GLU 19 -16.294 -18.531 2.707 150 HB3 GLU 19 HB3 GLU 19 -17.993 -18.512 2.245 151 HG2 GLU 19 HG2 GLU 19 -17.415 -17.548 0.089 152 HG3 GLU 19 HG3 GLU 19 -15.715 -17.513 0.544 153 H ASP 20 H ASP 20 -17.647 -14.115 2.741 154 HA ASP 20 HA ASP 20 -19.385 -14.003 0.463 155 HB2 ASP 20 HB2 ASP 20 -20.874 -14.794 2.373 156 HB3 ASP 20 HB3 ASP 20 -20.587 -13.232 3.131 157 H PHE 21 H PHE 21 -17.569 -12.661 -0.053 158 HA PHE 21 HA PHE 21 -17.964 -9.909 0.414 159 HB2 PHE 21 HB2 PHE 21 -15.724 -9.514 1.573 160 HB3 PHE 21 HB3 PHE 21 -17.021 -10.146 2.574 161 HD1 PHE 21 HD1 PHE 21 -13.799 -10.927 0.977 162 HD2 PHE 21 HD2 PHE 21 -16.880 -12.333 3.546 163 HE1 PHE 21 HE1 PHE 21 -12.323 -12.733 1.757 164 HE2 PHE 21 HE2 PHE 21 -15.416 -14.142 4.322 165 HZ PHE 21 HZ PHE 21 -13.119 -14.349 3.442 166 H GLY 22 H GLY 22 -16.693 -8.622 -0.921 167 HA2 GLY 22 HA2 GLY 22 -14.396 -9.522 -2.311 168 HA3 GLY 22 HA3 GLY 22 -15.821 -9.750 -3.316 169 H THR 23 H THR 23 -13.877 -8.063 -4.209 170 HA THR 23 HA THR 23 -14.749 -5.357 -3.522 171 HB THR 23 HB THR 23 -12.794 -4.713 -5.059 172 HG1 THR 23 HG1 THR 23 -11.212 -6.648 -4.883 173 HG21 THR 23 HG21 THR 23 -12.248 -6.223 -2.504 174 HG22 THR 23 HG22 THR 23 -12.677 -4.517 -2.638 175 HG23 THR 23 HG23 THR 23 -11.139 -5.094 -3.281 176 H LYS 24 H LYS 24 -15.859 -4.078 -4.901 177 HA LYS 24 HA LYS 24 -16.415 -5.190 -7.566 178 HB2 LYS 24 HB2 LYS 24 -18.521 -4.121 -7.578 179 HB3 LYS 24 HB3 LYS 24 -18.375 -4.825 -5.978 180 HG2 LYS 24 HG2 LYS 24 -19.089 -2.823 -5.282 181 HG3 LYS 24 HG3 LYS 24 -17.420 -2.317 -5.539 182 HD2 LYS 24 HD2 LYS 24 -17.982 -1.537 -7.778 183 HD3 LYS 24 HD3 LYS 24 -19.642 -2.096 -7.571 184 HE2 LYS 24 HE2 LYS 24 -19.916 -0.530 -5.697 185 HE3 LYS 24 HE3 LYS 24 -18.272 0.049 -5.954 186 HZ1 LYS 24 HZ1 LYS 24 -19.807 1.540 -6.995 187 HZ2 LYS 24 HZ2 LYS 24 -20.548 0.276 -7.844 188 HZ3 LYS 24 HZ3 LYS 24 -18.958 0.721 -8.208 189 H CYS 25 H CYS 25 -15.738 -4.126 -9.298 190 HA CYS 25 HA CYS 25 -14.859 -1.348 -8.944 191 HB2 CYS 25 HB2 CYS 25 -13.016 -1.920 -10.620 192 HB3 CYS 25 HB3 CYS 25 -12.820 -2.520 -8.978 193 HG CYS 25 HG CYS 25 -14.389 -4.832 -10.652 194 H VAL 26 H VAL 26 -16.234 -0.184 -10.052 195 HA VAL 26 HA VAL 26 -16.658 -0.841 -12.871 196 HB VAL 26 HB VAL 26 -18.639 -1.707 -11.699 197 HG11 VAL 26 HG11 VAL 26 -19.006 1.125 -10.741 198 HG12 VAL 26 HG12 VAL 26 -18.627 -0.278 -9.743 199 HG13 VAL 26 HG13 VAL 26 -20.185 -0.175 -10.565 200 HG21 VAL 26 HG21 VAL 26 -20.357 -0.493 -12.967 201 HG22 VAL 26 HG22 VAL 26 -18.931 -0.843 -13.942 202 HG23 VAL 26 HG23 VAL 26 -19.187 0.782 -13.308 203 H ILE 27 H ILE 27 -16.882 0.965 -14.186 204 HA ILE 27 HA ILE 27 -15.901 3.416 -13.007 205 HB ILE 27 HB ILE 27 -16.537 2.664 -15.852 206 HG12 ILE 27 HG12 ILE 27 -13.927 3.216 -14.435 207 HG13 ILE 27 HG13 ILE 27 -14.535 1.623 -14.880 208 HG21 ILE 27 HG21 ILE 27 -15.591 4.790 -16.526 209 HG22 ILE 27 HG22 ILE 27 -15.352 5.236 -14.836 210 HG23 ILE 27 HG23 ILE 27 -16.987 5.045 -15.475 211 HD11 ILE 27 HD11 ILE 27 -12.831 2.431 -16.428 212 HD12 ILE 27 HD12 ILE 27 -13.840 3.827 -16.808 213 HD13 ILE 27 HD13 ILE 27 -14.386 2.204 -17.230 214 H GLU 28 H GLU 28 -17.023 5.169 -12.539 215 HA GLU 28 HA GLU 28 -19.838 5.322 -13.379 216 HB2 GLU 28 HB2 GLU 28 -18.502 6.475 -10.923 217 HB3 GLU 28 HB3 GLU 28 -20.182 6.752 -11.373 218 HG2 GLU 28 HG2 GLU 28 -20.451 4.234 -11.281 219 HG3 GLU 28 HG3 GLU 28 -18.875 4.201 -10.495 220 H GLU 29 H GLU 29 -19.767 6.517 -15.163 221 HA GLU 29 HA GLU 29 -17.907 8.653 -15.544 222 HB2 GLU 29 HB2 GLU 29 -18.938 8.966 -17.682 223 HB3 GLU 29 HB3 GLU 29 -18.811 7.241 -17.397 224 HG2 GLU 29 HG2 GLU 29 -21.290 8.940 -17.216 225 HG3 GLU 29 HG3 GLU 29 -20.916 7.721 -18.429 226 H VAL 30 H VAL 30 -18.162 10.798 -15.243 227 HA VAL 30 HA VAL 30 -20.594 11.590 -13.831 228 HB VAL 30 HB VAL 30 -17.985 13.097 -14.109 229 HG11 VAL 30 HG11 VAL 30 -20.351 13.595 -12.300 230 HG12 VAL 30 HG12 VAL 30 -19.900 14.564 -13.703 231 HG13 VAL 30 HG13 VAL 30 -18.835 14.499 -12.297 232 HG21 VAL 30 HG21 VAL 30 -17.604 12.439 -11.770 233 HG22 VAL 30 HG22 VAL 30 -17.669 11.049 -12.854 234 HG23 VAL 30 HG23 VAL 30 -19.053 11.436 -11.831 235 H LYS 31 H LYS 31 -21.961 11.744 -15.650 236 HA LYS 31 HA LYS 31 -21.286 13.636 -17.715 237 HB2 LYS 31 HB2 LYS 31 -23.855 13.227 -18.252 238 HB3 LYS 31 HB3 LYS 31 -22.608 12.089 -18.722 239 HG2 LYS 31 HG2 LYS 31 -23.137 10.661 -16.848 240 HG3 LYS 31 HG3 LYS 31 -24.310 11.839 -16.247 241 HD2 LYS 31 HD2 LYS 31 -25.710 11.523 -18.165 242 HD3 LYS 31 HD3 LYS 31 -24.485 10.539 -18.963 243 HE2 LYS 31 HE2 LYS 31 -25.787 9.757 -16.363 244 HE3 LYS 31 HE3 LYS 31 -26.429 9.286 -17.936 245 HZ1 LYS 31 HZ1 LYS 31 -24.164 8.298 -18.369 246 HZ2 LYS 31 HZ2 LYS 31 -25.103 7.504 -17.207 247 HZ3 LYS 31 HZ3 LYS 31 -23.835 8.512 -16.719 248 H SER 32 H SER 32 -20.870 15.364 -16.288 249 HA SER 32 HA SER 32 -23.221 16.697 -15.157 250 HB2 SER 32 HB2 SER 32 -21.168 16.424 -13.759 251 HB3 SER 32 HB3 SER 32 -20.284 17.411 -14.921 252 HG SER 32 HG SER 32 -22.016 19.034 -14.450 253 H SER 33 H SER 33 -21.980 16.459 -18.057 254 HA SER 33 HA SER 33 -22.056 19.327 -18.686 255 HB2 SER 33 HB2 SER 33 -19.954 18.050 -19.258 256 HB3 SER 33 HB3 SER 33 -20.915 17.093 -20.384 257 HG SER 33 HG SER 33 -19.735 19.365 -20.880 258 H HIS 34 H HIS 34 -22.570 19.205 -21.363 259 HA HIS 34 HA HIS 34 -25.381 18.658 -21.389 260 HB2 HIS 34 HB2 HIS 34 -25.052 19.295 -23.905 261 HB3 HIS 34 HB3 HIS 34 -24.914 20.529 -22.660 262 HD1 HIS 34 HD1 HIS 34 -22.870 18.658 -25.194 263 HD2 HIS 34 HD2 HIS 34 -22.389 21.602 -22.300 264 HE1 HIS 34 HE1 HIS 34 -20.588 19.674 -25.584 265 H LYS 35 H LYS 35 -26.398 17.394 -23.168 266 HA LYS 35 HA LYS 35 -25.638 14.712 -22.754 267 HB2 LYS 35 HB2 LYS 35 -27.624 15.904 -24.685 268 HB3 LYS 35 HB3 LYS 35 -27.460 14.186 -24.355 269 HG2 LYS 35 HG2 LYS 35 -28.158 14.475 -22.096 270 HG3 LYS 35 HG3 LYS 35 -28.102 16.232 -22.247 271 HD2 LYS 35 HD2 LYS 35 -29.922 16.181 -23.847 272 HD3 LYS 35 HD3 LYS 35 -29.936 14.416 -23.809 273 HE2 LYS 35 HE2 LYS 35 -31.725 15.420 -22.440 274 HE3 LYS 35 HE3 LYS 35 -30.614 14.429 -21.498 275 HZ1 LYS 35 HZ1 LYS 35 -31.207 16.553 -20.427 276 HZ2 LYS 35 HZ2 LYS 35 -30.453 17.389 -21.694 277 HZ3 LYS 35 HZ3 LYS 35 -29.539 16.385 -20.676 278 H THR 36 H THR 36 -25.038 13.121 -24.243 279 HA THR 36 HA THR 36 -23.310 14.091 -26.364 280 HB THR 36 HB THR 36 -22.865 11.513 -26.513 281 HG1 THR 36 HG1 THR 36 -23.267 11.246 -23.864 282 HG21 THR 36 HG21 THR 36 -21.985 13.267 -24.230 283 HG22 THR 36 HG22 THR 36 -21.209 13.094 -25.808 284 HG23 THR 36 HG23 THR 36 -21.214 11.743 -24.672 285 H LEU 37 H LEU 37 -23.787 14.002 -28.445 286 HA LEU 37 HA LEU 37 -26.021 12.298 -29.320 287 HB2 LEU 37 HB2 LEU 37 -26.691 14.714 -29.021 288 HB3 LEU 37 HB3 LEU 37 -25.548 15.115 -30.285 289 HG LEU 37 HG LEU 37 -26.831 13.748 -31.883 290 HD11 LEU 37 HD11 LEU 37 -27.764 12.129 -30.315 291 HD12 LEU 37 HD12 LEU 37 -29.034 12.901 -31.262 292 HD13 LEU 37 HD13 LEU 37 -28.760 13.392 -29.591 293 HD21 LEU 37 HD21 LEU 37 -27.298 16.123 -31.689 294 HD22 LEU 37 HD22 LEU 37 -28.456 15.807 -30.396 295 HD23 LEU 37 HD23 LEU 37 -28.779 15.228 -32.030 296 H LEU 38 H LEU 38 -23.593 11.364 -29.515 297 HA LEU 38 HA LEU 38 -22.881 11.725 -32.339 298 HB2 LEU 38 HB2 LEU 38 -20.558 11.308 -31.860 299 HB3 LEU 38 HB3 LEU 38 -21.109 12.634 -30.859 300 HG LEU 38 HG LEU 38 -20.924 9.838 -29.740 301 HD11 LEU 38 HD11 LEU 38 -18.750 10.386 -30.712 302 HD12 LEU 38 HD12 LEU 38 -18.700 10.380 -28.948 303 HD13 LEU 38 HD13 LEU 38 -18.743 11.910 -29.824 304 HD21 LEU 38 HD21 LEU 38 -22.148 11.733 -28.588 305 HD22 LEU 38 HD22 LEU 38 -20.566 12.485 -28.385 306 HD23 LEU 38 HD23 LEU 38 -20.897 10.905 -27.672 307 H ASN 39 H ASN 39 -21.118 9.588 -32.511 308 HA ASN 39 HA ASN 39 -22.571 7.381 -33.119 309 HB2 ASN 39 HB2 ASN 39 -20.194 7.643 -33.626 310 HB3 ASN 39 HB3 ASN 39 -19.801 7.480 -31.914 311 HD21 ASN 39 HD21 ASN 39 -22.186 5.569 -33.669 312 HD22 ASN 39 HD22 ASN 39 -21.344 4.063 -33.535 313 H THR 40 H THR 40 -20.581 7.385 -30.209 314 HA THR 40 HA THR 40 -22.715 5.989 -28.733 315 HB THR 40 HB THR 40 -20.263 5.611 -27.400 316 HG1 THR 40 HG1 THR 40 -19.951 4.925 -30.147 317 HG21 THR 40 HG21 THR 40 -22.093 3.983 -27.547 318 HG22 THR 40 HG22 THR 40 -20.560 3.259 -28.032 319 HG23 THR 40 HG23 THR 40 -21.736 3.734 -29.256 320 H GLU 41 H GLU 41 -21.314 6.375 -26.181 321 HA GLU 41 HA GLU 41 -21.439 9.268 -25.950 322 HB2 GLU 41 HB2 GLU 41 -21.166 8.959 -23.553 323 HB3 GLU 41 HB3 GLU 41 -22.508 8.007 -24.164 324 HG2 GLU 41 HG2 GLU 41 -19.830 6.755 -23.885 325 HG3 GLU 41 HG3 GLU 41 -20.834 7.013 -22.465 326 H LEU 42 H LEU 42 -19.738 10.363 -26.435 327 HA LEU 42 HA LEU 42 -17.209 9.478 -26.971 328 HB2 LEU 42 HB2 LEU 42 -16.474 11.852 -26.612 329 HB3 LEU 42 HB3 LEU 42 -17.814 11.628 -27.715 330 HG LEU 42 HG LEU 42 -19.317 12.205 -25.698 331 HD11 LEU 42 HD11 LEU 42 -16.701 13.342 -24.722 332 HD12 LEU 42 HD12 LEU 42 -17.623 12.048 -23.958 333 HD13 LEU 42 HD13 LEU 42 -18.291 13.677 -24.040 334 HD21 LEU 42 HD21 LEU 42 -19.061 13.640 -27.625 335 HD22 LEU 42 HD22 LEU 42 -17.544 14.274 -26.986 336 HD23 LEU 42 HD23 LEU 42 -19.062 14.606 -26.151 337 H HIS 43 H HIS 43 -15.147 10.113 -25.817 338 HA HIS 43 HA HIS 43 -15.098 8.820 -23.294 339 HB2 HIS 43 HB2 HIS 43 -12.950 10.434 -24.686 340 HB3 HIS 43 HB3 HIS 43 -12.696 9.432 -23.261 341 HD1 HIS 43 HD1 HIS 43 -12.024 7.047 -23.727 342 HD2 HIS 43 HD2 HIS 43 -13.865 8.863 -26.984 343 HE1 HIS 43 HE1 HIS 43 -11.925 5.378 -25.622 344 H LEU 44 H LEU 44 -16.146 9.751 -21.708 345 HA LEU 44 HA LEU 44 -16.028 12.641 -21.318 346 HB2 LEU 44 HB2 LEU 44 -18.211 11.519 -21.466 347 HB3 LEU 44 HB3 LEU 44 -17.787 10.506 -20.104 348 HG LEU 44 HG LEU 44 -17.675 12.581 -18.696 349 HD11 LEU 44 HD11 LEU 44 -18.800 14.584 -19.539 350 HD12 LEU 44 HD12 LEU 44 -18.942 13.834 -21.129 351 HD13 LEU 44 HD13 LEU 44 -17.350 14.215 -20.473 352 HD21 LEU 44 HD21 LEU 44 -19.591 11.081 -18.674 353 HD22 LEU 44 HD22 LEU 44 -20.295 11.946 -20.041 354 HD23 LEU 44 HD23 LEU 44 -20.104 12.759 -18.487 355 H THR 45 H THR 45 -15.943 13.411 -19.019 356 HA THR 45 HA THR 45 -13.761 12.415 -17.551 357 HB THR 45 HB THR 45 -16.059 14.035 -16.456 358 HG1 THR 45 HG1 THR 45 -14.223 14.667 -18.364 359 HG21 THR 45 HG21 THR 45 -14.363 14.924 -14.918 360 HG22 THR 45 HG22 THR 45 -13.157 13.860 -15.642 361 HG23 THR 45 HG23 THR 45 -14.524 13.174 -14.764 362 H LYS 46 H LYS 46 -13.719 10.477 -16.618 363 HA LYS 46 HA LYS 46 -16.188 9.478 -15.405 364 HB2 LYS 46 HB2 LYS 46 -16.073 7.516 -16.514 365 HB3 LYS 46 HB3 LYS 46 -15.109 8.438 -17.654 366 HG2 LYS 46 HG2 LYS 46 -13.977 6.789 -15.406 367 HG3 LYS 46 HG3 LYS 46 -14.160 6.233 -17.067 368 HD2 LYS 46 HD2 LYS 46 -12.512 7.695 -17.856 369 HD3 LYS 46 HD3 LYS 46 -12.604 8.715 -16.413 370 HE2 LYS 46 HE2 LYS 46 -11.696 6.901 -15.067 371 HE3 LYS 46 HE3 LYS 46 -11.588 5.880 -16.501 372 HZ1 LYS 46 HZ1 LYS 46 -10.004 7.439 -17.459 373 HZ2 LYS 46 HZ2 LYS 46 -9.452 6.880 -15.954 374 HZ3 LYS 46 HZ3 LYS 46 -10.121 8.426 -16.088 375 H TYR 47 H TYR 47 -15.959 8.080 -13.616 376 HA TYR 47 HA TYR 47 -13.359 8.257 -12.253 377 HB2 TYR 47 HB2 TYR 47 -16.132 8.751 -11.184 378 HB3 TYR 47 HB3 TYR 47 -14.814 8.285 -10.117 379 HD1 TYR 47 HD2 TYR 47 -15.544 10.807 -12.787 380 HD2 TYR 47 HD1 TYR 47 -13.628 9.959 -9.088 381 HE1 TYR 47 HE2 TYR 47 -14.842 13.155 -12.621 382 HE2 TYR 47 HE1 TYR 47 -12.920 12.303 -8.909 383 HH TYR 47 HH TYR 47 -14.147 14.763 -10.960 384 H TYR 48 H TYR 48 -12.757 6.452 -11.059 385 HA TYR 48 HA TYR 48 -14.210 4.023 -11.702 386 HB2 TYR 48 HB2 TYR 48 -11.513 4.624 -10.572 387 HB3 TYR 48 HB3 TYR 48 -12.227 3.044 -10.268 388 HD1 TYR 48 HD2 TYR 48 -11.532 5.379 -13.112 389 HD2 TYR 48 HD1 TYR 48 -11.868 1.355 -11.794 390 HE1 TYR 48 HE2 TYR 48 -10.740 4.602 -15.299 391 HE2 TYR 48 HE1 TYR 48 -11.083 0.564 -13.978 392 HH TYR 48 HH TYR 48 -10.944 1.344 -16.281 393 H GLY 49 H GLY 49 -15.757 3.310 -10.452 394 HA2 GLY 49 HA2 GLY 49 -15.996 4.288 -7.712 395 HA3 GLY 49 HA3 GLY 49 -17.221 3.414 -8.623 396 H PHE 50 H PHE 50 -14.228 3.109 -6.827 397 HA PHE 50 HA PHE 50 -14.397 0.222 -6.737 398 HB2 PHE 50 HB2 PHE 50 -12.451 2.274 -5.912 399 HB3 PHE 50 HB3 PHE 50 -12.556 0.886 -4.835 400 HD1 PHE 50 HD1 PHE 50 -11.697 2.006 -8.218 401 HD2 PHE 50 HD2 PHE 50 -11.841 -1.274 -5.520 402 HE1 PHE 50 HE1 PHE 50 -10.272 0.711 -9.715 403 HE2 PHE 50 HE2 PHE 50 -10.403 -2.579 -7.016 404 HZ PHE 50 HZ PHE 50 -9.608 -1.582 -9.132 405 H SER 51 H SER 51 -15.172 -0.989 -5.109 406 HA SER 51 HA SER 51 -15.656 0.171 -2.501 407 HB2 SER 51 HB2 SER 51 -17.972 -1.067 -4.007 408 HB3 SER 51 HB3 SER 51 -18.013 -0.296 -2.422 409 HG SER 51 HG SER 51 -17.004 1.474 -4.069 410 H PHE 52 H PHE 52 -15.904 -1.394 -0.886 411 HA PHE 52 HA PHE 52 -15.417 -4.152 -1.779 412 HB2 PHE 52 HB2 PHE 52 -13.708 -3.217 -0.219 413 HB3 PHE 52 HB3 PHE 52 -14.977 -2.999 0.982 414 HD1 PHE 52 HD1 PHE 52 -12.982 -5.459 -0.855 415 HD2 PHE 52 HD2 PHE 52 -15.899 -4.862 2.181 416 HE1 PHE 52 HE1 PHE 52 -12.692 -7.788 -0.126 417 HE2 PHE 52 HE2 PHE 52 -15.614 -7.189 2.918 418 HZ PHE 52 HZ PHE 52 -14.011 -8.653 1.760 419 H PHE 53 H PHE 53 -17.012 -5.519 -1.649 420 HA PHE 53 HA PHE 53 -19.397 -4.831 -0.106 421 HB2 PHE 53 HB2 PHE 53 -18.844 -6.474 -2.498 422 HB3 PHE 53 HB3 PHE 53 -20.081 -7.099 -1.415 423 HD1 PHE 53 HD1 PHE 53 -22.117 -5.883 -1.023 424 HD2 PHE 53 HD2 PHE 53 -19.196 -4.468 -3.768 425 HE1 PHE 53 HE1 PHE 53 -23.784 -4.348 -1.995 426 HE2 PHE 53 HE2 PHE 53 -20.852 -2.928 -4.750 427 HZ PHE 53 HZ PHE 53 -23.148 -2.868 -3.859 428 H ARG 54 H ARG 54 -20.031 -5.915 1.622 429 HA ARG 54 HA ARG 54 -18.932 -8.565 2.161 430 HB2 ARG 54 HB2 ARG 54 -17.600 -6.626 3.300 431 HB3 ARG 54 HB3 ARG 54 -18.984 -6.539 4.379 432 HG2 ARG 54 HG2 ARG 54 -17.720 -9.190 3.948 433 HG3 ARG 54 HG3 ARG 54 -16.862 -8.003 4.930 434 HD2 ARG 54 HD2 ARG 54 -18.792 -7.791 6.382 435 HD3 ARG 54 HD3 ARG 54 -19.689 -8.934 5.383 436 HE ARG 54 HE ARG 54 -17.875 -10.567 6.041 437 HH11 ARG 54 1HH1 ARG 54 -18.712 -7.853 8.060 438 HH12 ARG 54 2HH1 ARG 54 -18.306 -8.651 9.543 439 HH21 ARG 54 1HH2 ARG 54 -17.320 -11.636 8.031 440 HH22 ARG 54 2HH2 ARG 54 -17.521 -10.793 9.533 441 H HIS 55 H HIS 55 -20.772 -9.683 2.135 442 HA HIS 55 HA HIS 55 -22.871 -10.402 2.553 443 HB2 HIS 55 HB2 HIS 55 -22.296 -8.786 4.978 444 HB3 HIS 55 HB3 HIS 55 -23.969 -9.263 4.692 445 HD1 HIS 55 HD1 HIS 55 -24.588 -11.504 5.580 446 HD2 HIS 55 HD2 HIS 55 -20.498 -11.152 4.886 447 HE1 HIS 55 HE1 HIS 55 -23.540 -13.682 6.340 448 H GLY 56 H GLY 56 -22.360 -7.944 0.949 449 HA2 GLY 56 HA2 GLY 56 -23.918 -6.905 -0.476 450 HA3 GLY 56 HA3 GLY 56 -25.173 -7.198 0.719 451 H ASN 57 H ASN 57 -22.844 -6.050 2.589 452 HA ASN 57 HA ASN 57 -23.840 -3.314 2.397 453 HB2 ASN 57 HB2 ASN 57 -21.908 -4.389 4.458 454 HB3 ASN 57 HB3 ASN 57 -22.874 -2.923 4.553 455 HD21 ASN 57 HD21 ASN 57 -22.805 -6.324 4.873 456 HD22 ASN 57 HD22 ASN 57 -24.354 -6.515 5.626 457 H ILE 58 H ILE 58 -22.177 -1.590 2.803 458 HA ILE 58 HA ILE 58 -19.847 -2.120 1.086 459 HB ILE 58 HB ILE 58 -21.357 0.443 1.564 460 HG12 ILE 58 HG12 ILE 58 -22.163 -1.216 -0.143 461 HG13 ILE 58 HG13 ILE 58 -21.770 0.371 -0.801 462 HG21 ILE 58 HG21 ILE 58 -18.702 0.069 0.174 463 HG22 ILE 58 HG22 ILE 58 -18.996 0.985 1.652 464 HG23 ILE 58 HG23 ILE 58 -19.674 1.541 0.121 465 HD11 ILE 58 HD11 ILE 58 -19.660 -0.476 -1.628 466 HD12 ILE 58 HD12 ILE 58 -20.992 -1.469 -2.223 467 HD13 ILE 58 HD13 ILE 58 -19.981 -2.049 -0.899 468 H VAL 59 H VAL 59 -18.223 -2.589 2.317 469 HA VAL 59 HA VAL 59 -17.801 -1.294 4.876 470 HB VAL 59 HB VAL 59 -16.150 -3.341 3.384 471 HG11 VAL 59 HG11 VAL 59 -15.815 -2.268 6.180 472 HG12 VAL 59 HG12 VAL 59 -14.717 -2.020 4.822 473 HG13 VAL 59 HG13 VAL 59 -14.933 -3.633 5.501 474 HG21 VAL 59 HG21 VAL 59 -18.298 -4.195 4.138 475 HG22 VAL 59 HG22 VAL 59 -17.972 -3.613 5.770 476 HG23 VAL 59 HG23 VAL 59 -16.984 -4.903 5.081 477 H ALA 60 H ALA 60 -16.466 -1.305 1.632 478 HA ALA 60 HA ALA 60 -14.869 1.058 2.377 479 HB1 ALA 60 1HB ALA 60 -13.398 -0.889 2.142 480 HB2 ALA 60 HB2 ALA 60 -13.085 0.337 0.911 481 HB3 ALA 60 HB3 ALA 60 -13.987 -1.121 0.495 482 H TYR 61 H TYR 61 -15.035 2.753 1.040 483 HA TYR 61 HA TYR 61 -15.945 2.275 -1.693 484 HB2 TYR 61 HB2 TYR 61 -17.903 3.050 -0.343 485 HB3 TYR 61 HB3 TYR 61 -17.020 4.533 0.015 486 HD1 TYR 61 HD1 TYR 61 -18.644 2.576 -2.635 487 HD2 TYR 61 HD2 TYR 61 -16.792 6.273 -1.646 488 HE1 TYR 61 HE1 TYR 61 -19.434 3.528 -4.752 489 HE2 TYR 61 HE2 TYR 61 -17.583 7.240 -3.766 490 HH TYR 61 HH TYR 61 -19.951 5.826 -5.670 491 H GLY 62 H GLY 62 -14.744 3.310 -3.146 492 HA2 GLY 62 HA2 GLY 62 -13.328 5.741 -2.415 493 HA3 GLY 62 HA3 GLY 62 -12.322 4.347 -2.786 494 H LYS 63 H LYS 63 -14.430 6.781 -4.059 495 HA LYS 63 HA LYS 63 -13.980 5.793 -6.767 496 HB2 LYS 63 HB2 LYS 63 -16.254 6.410 -6.261 497 HB3 LYS 63 HB3 LYS 63 -15.739 7.987 -5.677 498 HG2 LYS 63 HG2 LYS 63 -15.399 8.811 -7.781 499 HG3 LYS 63 HG3 LYS 63 -15.109 7.214 -8.477 500 HD2 LYS 63 HD2 LYS 63 -17.238 8.048 -9.230 501 HD3 LYS 63 HD3 LYS 63 -17.475 6.676 -8.146 502 HE2 LYS 63 HE2 LYS 63 -17.968 8.216 -6.311 503 HE3 LYS 63 HE3 LYS 63 -17.754 9.583 -7.407 504 HZ1 LYS 63 HZ1 LYS 63 -19.621 8.924 -8.667 505 HZ2 LYS 63 HZ2 LYS 63 -20.109 8.859 -7.041 506 HZ3 LYS 63 HZ3 LYS 63 -19.733 7.427 -7.877 507 H SER 64 H SER 64 -12.611 6.769 -8.156 508 HA SER 64 HA SER 64 -11.627 9.442 -7.584 509 HB2 SER 64 HB2 SER 64 -9.774 7.064 -7.788 510 HB3 SER 64 HB3 SER 64 -9.264 8.751 -7.723 511 HG SER 64 HG SER 64 -10.941 8.224 -5.698 512 H ARG 65 H ARG 65 -10.216 10.254 -9.315 513 HA ARG 65 HA ARG 65 -11.268 9.829 -11.888 514 HB2 ARG 65 HB2 ARG 65 -10.147 11.908 -11.155 515 HB3 ARG 65 HB3 ARG 65 -8.617 11.046 -11.070 516 HG2 ARG 65 HG2 ARG 65 -8.663 12.315 -13.089 517 HG3 ARG 65 HG3 ARG 65 -8.803 10.606 -13.510 518 HD2 ARG 65 HD2 ARG 65 -11.171 10.828 -13.838 519 HD3 ARG 65 HD3 ARG 65 -11.140 12.489 -13.247 520 HE ARG 65 HE ARG 65 -10.014 11.557 -15.807 521 HH11 ARG 65 1HH1 ARG 65 -11.066 14.149 -13.698 522 HH12 ARG 65 2HH1 ARG 65 -11.053 15.345 -14.966 523 HH21 ARG 65 1HH2 ARG 65 -10.002 13.114 -17.460 524 HH22 ARG 65 2HH2 ARG 65 -10.495 14.747 -17.113 525 H LYS 66 H LYS 66 -8.620 8.393 -10.140 526 HA LYS 66 HA LYS 66 -7.944 6.792 -12.513 527 HB2 LYS 66 HB2 LYS 66 -6.115 7.659 -10.270 528 HB3 LYS 66 HB3 LYS 66 -5.651 6.652 -11.636 529 HG2 LYS 66 HG2 LYS 66 -6.234 8.524 -13.151 530 HG3 LYS 66 HG3 LYS 66 -6.552 9.525 -11.736 531 HD2 LYS 66 HD2 LYS 66 -4.351 10.034 -12.499 532 HD3 LYS 66 HD3 LYS 66 -4.191 9.097 -11.013 533 HE2 LYS 66 HE2 LYS 66 -3.693 7.102 -12.270 534 HE3 LYS 66 HE3 LYS 66 -4.005 7.941 -13.790 535 HZ1 LYS 66 HZ1 LYS 66 -2.122 9.380 -13.359 536 HZ2 LYS 66 HZ2 LYS 66 -1.635 7.759 -13.325 537 HZ3 LYS 66 HZ3 LYS 66 -1.832 8.611 -11.872 538 H VAL 67 H VAL 67 -7.472 4.624 -12.219 539 HA VAL 67 HA VAL 67 -9.265 3.321 -10.501 540 HB VAL 67 HB VAL 67 -8.629 2.402 -12.660 541 HG11 VAL 67 HG11 VAL 67 -6.467 1.341 -13.022 542 HG12 VAL 67 HG12 VAL 67 -5.924 1.925 -11.449 543 HG13 VAL 67 HG13 VAL 67 -6.311 3.074 -12.730 544 HG21 VAL 67 HG21 VAL 67 -7.971 0.041 -11.885 545 HG22 VAL 67 HG22 VAL 67 -9.498 0.722 -11.343 546 HG23 VAL 67 HG23 VAL 67 -8.106 0.704 -10.254 547 H ALA 68 H ALA 68 -5.773 3.825 -10.241 548 HA ALA 68 HA ALA 68 -5.473 1.968 -8.077 549 HB1 ALA 68 1HB ALA 68 -3.577 4.081 -9.076 550 HB2 ALA 68 HB2 ALA 68 -3.648 2.401 -9.616 551 HB3 ALA 68 HB3 ALA 68 -3.178 2.776 -7.957 552 H ASN 69 H ASN 69 -6.084 5.407 -8.314 553 HA ASN 69 HA ASN 69 -5.460 5.975 -5.571 554 HB2 ASN 69 HB2 ASN 69 -5.580 7.675 -7.474 555 HB3 ASN 69 HB3 ASN 69 -7.328 7.567 -7.334 556 HD21 ASN 69 HD21 ASN 69 -8.349 8.423 -5.504 557 HD22 ASN 69 HD22 ASN 69 -7.525 9.500 -4.422 558 H ALA 70 H ALA 70 -8.330 5.256 -7.442 559 HA ALA 70 HA ALA 70 -10.259 5.431 -5.446 560 HB1 ALA 70 1HB ALA 70 -11.618 4.043 -6.895 561 HB2 ALA 70 HB2 ALA 70 -10.185 3.508 -7.774 562 HB3 ALA 70 HB3 ALA 70 -10.703 5.193 -7.872 563 H LYS 71 H LYS 71 -8.244 2.706 -6.469 564 HA LYS 71 HA LYS 71 -9.064 0.762 -4.670 565 HB2 LYS 71 HB2 LYS 71 -6.375 1.410 -5.844 566 HB3 LYS 71 HB3 LYS 71 -6.597 0.056 -4.752 567 HG2 LYS 71 HG2 LYS 71 -8.215 -0.909 -6.264 568 HG3 LYS 71 HG3 LYS 71 -7.986 0.449 -7.372 569 HD2 LYS 71 HD2 LYS 71 -5.527 -0.152 -7.400 570 HD3 LYS 71 HD3 LYS 71 -5.972 -1.639 -6.562 571 HE2 LYS 71 HE2 LYS 71 -7.481 -2.195 -8.433 572 HE3 LYS 71 HE3 LYS 71 -6.938 -0.738 -9.270 573 HZ1 LYS 71 HZ1 LYS 71 -5.769 -2.713 -10.041 574 HZ2 LYS 71 HZ2 LYS 71 -5.196 -3.013 -8.474 575 HZ3 LYS 71 HZ3 LYS 71 -4.700 -1.621 -9.306 576 H TYR 72 H TYR 72 -6.638 3.293 -4.315 577 HA TYR 72 HA TYR 72 -5.563 2.528 -1.904 578 HB2 TYR 72 HB2 TYR 72 -4.434 4.202 -3.131 579 HB3 TYR 72 HB3 TYR 72 -5.866 5.216 -3.227 580 HD1 TYR 72 HD2 TYR 72 -3.192 4.024 -0.963 581 HD2 TYR 72 HD1 TYR 72 -6.366 6.798 -1.552 582 HE1 TYR 72 HE2 TYR 72 -2.427 5.305 0.991 583 HE2 TYR 72 HE1 TYR 72 -5.606 8.087 0.402 584 HH TYR 72 HH TYR 72 -4.292 7.694 2.472 585 H ILE 73 H ILE 73 -8.231 4.776 -2.491 586 HA ILE 73 HA ILE 73 -8.765 5.425 0.190 587 HB ILE 73 HB ILE 73 -10.630 5.387 -2.184 588 HG12 ILE 73 HG12 ILE 73 -9.247 7.801 -1.046 589 HG13 ILE 73 HG13 ILE 73 -8.407 6.752 -2.184 590 HG21 ILE 73 HG21 ILE 73 -11.941 7.038 -0.924 591 HG22 ILE 73 HG22 ILE 73 -10.865 6.829 0.459 592 HG23 ILE 73 HG23 ILE 73 -11.869 5.484 -0.091 593 HD11 ILE 73 HD11 ILE 73 -10.156 7.135 -3.832 594 HD12 ILE 73 HD12 ILE 73 -9.408 8.645 -3.311 595 HD13 ILE 73 HD13 ILE 73 -10.999 8.189 -2.694 596 H MET 74 H MET 74 -10.304 3.067 -1.969 597 HA MET 74 HA MET 74 -12.105 1.883 -0.234 598 HB2 MET 74 HB2 MET 74 -12.079 1.349 -2.585 599 HB3 MET 74 HB3 MET 74 -10.455 0.695 -2.475 600 HG2 MET 74 HG2 MET 74 -11.359 -1.073 -0.976 601 HG3 MET 74 HG3 MET 74 -12.974 -0.469 -1.339 602 HE1 MET 74 HE1 MET 74 -9.671 -1.192 -3.437 603 HE2 MET 74 HE2 MET 74 -10.137 -2.767 -4.083 604 HE3 MET 74 HE3 MET 74 -9.994 -2.533 -2.339 605 H LYS 75 H LYS 75 -8.723 1.001 -0.832 606 HA LYS 75 HA LYS 75 -8.668 -1.174 0.933 607 HB2 LYS 75 HB2 LYS 75 -6.442 0.541 -0.169 608 HB3 LYS 75 HB3 LYS 75 -6.193 -0.974 0.696 609 HG2 LYS 75 HG2 LYS 75 -7.342 -2.213 -0.991 610 HG3 LYS 75 HG3 LYS 75 -7.862 -0.734 -1.797 611 HD2 LYS 75 HD2 LYS 75 -5.537 -0.206 -2.316 612 HD3 LYS 75 HD3 LYS 75 -5.018 -1.703 -1.528 613 HE2 LYS 75 HE2 LYS 75 -6.859 -1.507 -3.910 614 HE3 LYS 75 HE3 LYS 75 -5.149 -1.927 -3.976 615 HZ1 LYS 75 HZ1 LYS 75 -7.282 -3.501 -2.612 616 HZ2 LYS 75 HZ2 LYS 75 -5.640 -3.913 -2.660 617 HZ3 LYS 75 HZ3 LYS 75 -6.545 -3.888 -4.084 618 H GLN 76 H GLN 76 -7.809 2.233 1.408 619 HA GLN 76 HA GLN 76 -6.771 1.969 4.017 620 HB2 GLN 76 HB2 GLN 76 -8.095 4.303 2.636 621 HB3 GLN 76 HB3 GLN 76 -7.373 4.412 4.235 622 HG2 GLN 76 HG2 GLN 76 -5.956 3.710 1.677 623 HG3 GLN 76 HG3 GLN 76 -5.852 5.236 2.555 624 HE21 GLN 76 HE21 GLN 76 -4.900 1.900 2.487 625 HE22 GLN 76 HE22 GLN 76 -3.698 2.009 3.721 626 H ARG 77 H ARG 77 -10.055 2.140 2.831 627 HA ARG 77 HA ARG 77 -11.408 2.743 5.196 628 HB2 ARG 77 HB2 ARG 77 -12.180 1.017 2.853 629 HB3 ARG 77 HB3 ARG 77 -13.270 1.323 4.197 630 HG2 ARG 77 HG2 ARG 77 -12.021 3.513 2.574 631 HG3 ARG 77 HG3 ARG 77 -13.572 2.772 2.176 632 HD2 ARG 77 HD2 ARG 77 -12.883 4.162 4.763 633 HD3 ARG 77 HD3 ARG 77 -13.867 4.833 3.464 634 HE ARG 77 HE ARG 77 -14.643 2.467 5.058 635 HH11 ARG 77 1HH1 ARG 77 -15.463 5.384 3.288 636 HH12 ARG 77 2HH1 ARG 77 -17.154 5.298 3.706 637 HH21 ARG 77 1HH2 ARG 77 -16.875 2.364 5.597 638 HH22 ARG 77 2HH2 ARG 77 -17.944 3.602 4.994 639 H LEU 78 H LEU 78 -10.975 -0.539 3.834 640 HA LEU 78 HA LEU 78 -11.719 -1.783 6.287 641 HB2 LEU 78 HB2 LEU 78 -9.925 -3.233 4.396 642 HB3 LEU 78 HB3 LEU 78 -11.260 -3.836 5.363 643 HG LEU 78 HG LEU 78 -12.658 -2.314 3.673 644 HD11 LEU 78 HD11 LEU 78 -11.745 -2.495 1.422 645 HD12 LEU 78 HD12 LEU 78 -10.269 -3.214 2.064 646 HD13 LEU 78 HD13 LEU 78 -10.667 -1.542 2.438 647 HD21 LEU 78 HD21 LEU 78 -12.985 -4.674 4.119 648 HD22 LEU 78 HD22 LEU 78 -11.585 -5.070 3.121 649 HD23 LEU 78 HD23 LEU 78 -13.024 -4.363 2.384 650 H LEU 79 H LEU 79 -8.666 -0.744 4.962 651 HA LEU 79 HA LEU 79 -6.843 -2.144 6.484 652 HB2 LEU 79 HB2 LEU 79 -6.271 -0.668 4.618 653 HB3 LEU 79 HB3 LEU 79 -6.709 0.732 5.565 654 HG LEU 79 HG LEU 79 -4.217 0.173 5.242 655 HD11 LEU 79 HD11 LEU 79 -3.654 1.035 7.450 656 HD12 LEU 79 HD12 LEU 79 -5.289 0.679 8.012 657 HD13 LEU 79 HD13 LEU 79 -5.032 1.891 6.754 658 HD21 LEU 79 HD21 LEU 79 -4.349 -2.198 5.796 659 HD22 LEU 79 HD22 LEU 79 -4.883 -1.794 7.428 660 HD23 LEU 79 HD23 LEU 79 -3.261 -1.350 6.895 661 H LYS 80 H LYS 80 -8.430 0.927 7.331 662 HA LYS 80 HA LYS 80 -7.202 1.065 9.893 663 HB2 LYS 80 HB2 LYS 80 -9.145 2.621 8.386 664 HB3 LYS 80 HB3 LYS 80 -9.536 2.542 10.098 665 HG2 LYS 80 HG2 LYS 80 -6.918 3.451 8.927 666 HG3 LYS 80 HG3 LYS 80 -8.183 4.492 9.580 667 HD2 LYS 80 HD2 LYS 80 -6.551 2.455 11.099 668 HD3 LYS 80 HD3 LYS 80 -6.436 4.212 11.226 669 HE2 LYS 80 HE2 LYS 80 -8.816 4.230 11.995 670 HE3 LYS 80 HE3 LYS 80 -8.756 2.467 12.026 671 HZ1 LYS 80 HZ1 LYS 80 -8.341 3.325 14.216 672 HZ2 LYS 80 HZ2 LYS 80 -7.092 4.321 13.644 673 HZ3 LYS 80 HZ3 LYS 80 -6.910 2.637 13.620 674 H LEU 81 H LEU 81 -10.116 -0.413 8.664 675 HA LEU 81 HA LEU 81 -11.449 -0.748 11.116 676 HB2 LEU 81 HB2 LEU 81 -11.691 -1.793 8.375 677 HB3 LEU 81 HB3 LEU 81 -12.375 -2.807 9.632 678 HG LEU 81 HG LEU 81 -13.909 -1.128 10.290 679 HD11 LEU 81 HD11 LEU 81 -12.454 0.809 10.224 680 HD12 LEU 81 HD12 LEU 81 -13.952 1.117 9.345 681 HD13 LEU 81 HD13 LEU 81 -12.466 0.769 8.459 682 HD21 LEU 81 HD21 LEU 81 -13.727 -1.098 7.290 683 HD22 LEU 81 HD22 LEU 81 -15.149 -0.671 8.241 684 HD23 LEU 81 HD23 LEU 81 -14.533 -2.323 8.268 685 H LEU 82 H LEU 82 -9.140 -2.818 9.401 686 HA LEU 82 HA LEU 82 -9.435 -4.911 11.356 687 HB2 LEU 82 HB2 LEU 82 -7.496 -5.942 10.119 688 HB3 LEU 82 HB3 LEU 82 -8.961 -5.675 9.196 689 HG LEU 82 HG LEU 82 -7.578 -3.380 8.680 690 HD11 LEU 82 HD11 LEU 82 -5.566 -5.624 8.849 691 HD12 LEU 82 HD12 LEU 82 -5.573 -4.148 9.814 692 HD13 LEU 82 HD13 LEU 82 -5.296 -4.063 8.072 693 HD21 LEU 82 HD21 LEU 82 -8.705 -4.594 7.003 694 HD22 LEU 82 HD22 LEU 82 -7.673 -6.008 7.228 695 HD23 LEU 82 HD23 LEU 82 -7.009 -4.535 6.524 696 H GLU 83 H GLU 83 -7.413 -2.131 10.993 697 HA GLU 83 HA GLU 83 -5.441 -3.037 12.903 698 HB2 GLU 83 HB2 GLU 83 -5.984 -0.324 11.687 699 HB3 GLU 83 HB3 GLU 83 -4.661 -0.654 12.796 700 HG2 GLU 83 HG2 GLU 83 -5.044 -2.036 10.152 701 HG3 GLU 83 HG3 GLU 83 -4.017 -0.625 10.408 702 H ASP 84 H ASP 84 -8.289 -1.002 12.869 703 HA ASP 84 HA ASP 84 -7.932 -0.166 15.632 704 HB2 ASP 84 HB2 ASP 84 -8.830 1.260 13.649 705 HB3 ASP 84 HB3 ASP 84 -10.339 0.399 13.919 706 H LYS 85 H LYS 85 -9.414 -2.636 13.876 707 HA LYS 85 HA LYS 85 -10.713 -4.400 14.401 708 HB2 LYS 85 HB2 LYS 85 -10.313 -3.437 17.237 709 HB3 LYS 85 HB3 LYS 85 -11.085 -4.958 16.803 710 HG2 LYS 85 HG2 LYS 85 -8.258 -4.163 16.150 711 HG3 LYS 85 HG3 LYS 85 -8.754 -5.285 17.426 712 HD2 LYS 85 HD2 LYS 85 -9.854 -6.655 15.580 713 HD3 LYS 85 HD3 LYS 85 -8.982 -5.628 14.441 714 HE2 LYS 85 HE2 LYS 85 -7.708 -7.623 14.801 715 HE3 LYS 85 HE3 LYS 85 -6.865 -6.274 15.561 716 HZ1 LYS 85 HZ1 LYS 85 -7.809 -6.965 17.700 717 HZ2 LYS 85 HZ2 LYS 85 -6.870 -8.192 17.006 718 HZ3 LYS 85 HZ3 LYS 85 -8.560 -8.288 16.948 719 H SER 86 H SER 86 -11.893 -2.165 13.478 720 HA SER 86 HA SER 86 -14.217 -1.472 15.002 721 HB2 SER 86 HB2 SER 86 -13.702 -0.999 12.060 722 HB3 SER 86 HB3 SER 86 -14.778 -0.090 13.122 723 HG SER 86 HG SER 86 -13.007 0.732 14.194 724 H ASN 87 H ASN 87 -16.177 -2.401 14.934 725 HA ASN 87 HA ASN 87 -16.510 -4.987 13.879 726 HB2 ASN 87 HB2 ASN 87 -18.810 -4.828 14.652 727 HB3 ASN 87 HB3 ASN 87 -17.730 -4.129 15.852 728 HD21 ASN 87 HD21 ASN 87 -20.603 -3.710 15.247 729 HD22 ASN 87 HD22 ASN 87 -20.774 -1.999 15.041 730 H LEU 88 H LEU 88 -16.643 -2.059 12.281 731 HA LEU 88 HA LEU 88 -18.862 -2.327 10.609 732 HB2 LEU 88 HB2 LEU 88 -16.232 -0.942 10.133 733 HB3 LEU 88 HB3 LEU 88 -17.582 -0.843 9.021 734 HG LEU 88 HG LEU 88 -17.755 1.118 10.246 735 HD11 LEU 88 HD11 LEU 88 -19.879 -0.063 10.174 736 HD12 LEU 88 HD12 LEU 88 -19.735 0.901 11.645 737 HD13 LEU 88 HD13 LEU 88 -19.505 -0.847 11.710 738 HD21 LEU 88 HD21 LEU 88 -17.189 -0.448 12.759 739 HD22 LEU 88 HD22 LEU 88 -17.523 1.281 12.672 740 HD23 LEU 88 HD23 LEU 88 -16.066 0.626 11.924 741 H LEU 89 H LEU 89 -15.503 -3.451 10.110 742 HA LEU 89 HA LEU 89 -16.486 -5.010 7.818 743 HB2 LEU 89 HB2 LEU 89 -14.514 -3.830 7.268 744 HB3 LEU 89 HB3 LEU 89 -13.705 -4.301 8.744 745 HG LEU 89 HG LEU 89 -13.778 -6.668 7.889 746 HD11 LEU 89 HD11 LEU 89 -15.546 -6.279 6.219 747 HD12 LEU 89 HD12 LEU 89 -14.109 -7.053 5.558 748 HD13 LEU 89 HD13 LEU 89 -14.395 -5.341 5.270 749 HD21 LEU 89 HD21 LEU 89 -12.220 -4.664 6.282 750 HD22 LEU 89 HD22 LEU 89 -11.813 -6.363 6.523 751 HD23 LEU 89 HD23 LEU 89 -11.785 -5.248 7.888 752 H LEU 90 H LEU 90 -15.590 -5.323 11.085 753 HA LEU 90 HA LEU 90 -14.919 -8.163 10.771 754 HB2 LEU 90 HB2 LEU 90 -14.326 -6.392 13.127 755 HB3 LEU 90 HB3 LEU 90 -13.610 -7.947 12.741 756 HG LEU 90 HG LEU 90 -13.264 -5.610 10.892 757 HD11 LEU 90 HD11 LEU 90 -12.554 -4.784 13.017 758 HD12 LEU 90 HD12 LEU 90 -11.131 -5.157 12.041 759 HD13 LEU 90 HD13 LEU 90 -11.629 -6.254 13.332 760 HD21 LEU 90 HD21 LEU 90 -11.231 -6.796 10.277 761 HD22 LEU 90 HD22 LEU 90 -12.649 -7.826 10.075 762 HD23 LEU 90 HD23 LEU 90 -11.590 -8.048 11.469 763 H TYR 91 H TYR 91 -17.726 -6.984 11.140 764 HA TYR 91 HA TYR 91 -18.500 -7.812 13.756 765 HB2 TYR 91 HB2 TYR 91 -20.800 -7.547 13.009 766 HB3 TYR 91 HB3 TYR 91 -19.834 -6.168 12.511 767 HD1 TYR 91 HD2 TYR 91 -21.237 -9.394 11.251 768 HD2 TYR 91 HD1 TYR 91 -19.837 -5.482 10.287 769 HE1 TYR 91 HE2 TYR 91 -22.026 -9.676 8.943 770 HE2 TYR 91 HE1 TYR 91 -20.617 -5.767 7.978 771 HH TYR 91 HH TYR 91 -22.749 -8.156 7.046 772 H SER 92 H SER 92 -20.043 -9.540 14.186 773 HA SER 92 HA SER 92 -19.057 -12.007 13.043 774 HB2 SER 92 HB2 SER 92 -19.339 -11.762 15.493 775 HB3 SER 92 HB3 SER 92 -21.073 -11.540 15.260 776 HG SER 92 HG SER 92 -21.307 -13.618 14.785 777 H CYS 93 H CYS 93 -20.226 -13.443 11.885 778 HA CYS 93 HA CYS 93 -23.012 -12.852 11.186 779 HB2 CYS 93 HB2 CYS 93 -22.610 -13.024 8.858 780 HB3 CYS 93 HB3 CYS 93 -21.342 -11.953 9.456 781 H ASN 94 H ASN 94 -23.937 -14.790 9.909 782 HA ASN 94 HA ASN 94 -22.854 -17.245 11.129 783 HB2 ASN 94 HB2 ASN 94 -25.215 -16.471 11.717 784 HB3 ASN 94 HB3 ASN 94 -25.654 -16.888 10.065 785 HD21 ASN 94 HD21 ASN 94 -25.440 -19.109 9.410 786 HD22 ASN 94 HD22 ASN 94 -25.569 -20.368 10.591 787 H CYS 95 H CYS 95 -21.344 -16.960 9.061 788 HA CYS 95 HA CYS 95 -22.565 -18.179 6.736 789 HB2 CYS 95 HB2 CYS 95 -19.777 -17.330 7.416 790 HB3 CYS 95 HB3 CYS 95 -20.052 -18.423 6.066 791 H LYS 96 H LYS 96 -20.870 -19.176 9.585 792 HA LYS 96 HA LYS 96 -21.193 -21.966 8.732 793 HB2 LYS 96 HB2 LYS 96 -19.198 -22.554 10.088 794 HB3 LYS 96 HB3 LYS 96 -18.820 -21.517 8.723 795 HG2 LYS 96 HG2 LYS 96 -18.721 -19.586 10.232 796 HG3 LYS 96 HG3 LYS 96 -19.063 -20.652 11.597 797 HD2 LYS 96 HD2 LYS 96 -16.675 -20.876 9.760 798 HD3 LYS 96 HD3 LYS 96 -16.657 -20.155 11.369 799 HE2 LYS 96 HE2 LYS 96 -17.278 -22.289 12.357 800 HE3 LYS 96 HE3 LYS 96 -17.380 -23.022 10.755 801 HZ1 LYS 96 HZ1 LYS 96 -14.921 -21.923 12.025 802 HZ2 LYS 96 HZ2 LYS 96 -15.004 -22.584 10.465 803 HZ3 LYS 96 HZ3 LYS 96 -15.293 -23.566 11.814 804 H PHE 97 H PHE 97 -21.051 -19.688 11.420 805 HA PHE 97 HA PHE 97 -23.357 -20.745 12.659 806 HB2 PHE 97 HB2 PHE 97 -22.450 -21.716 14.656 807 HB3 PHE 97 HB3 PHE 97 -21.603 -22.484 13.319 808 HD1 PHE 97 HD1 PHE 97 -21.314 -19.954 15.988 809 HD2 PHE 97 HD2 PHE 97 -19.250 -22.264 13.068 810 HE1 PHE 97 HE1 PHE 97 -19.180 -19.286 16.985 811 HE2 PHE 97 HE2 PHE 97 -17.101 -21.603 14.063 812 HZ PHE 97 HZ PHE 97 -17.060 -20.114 16.024 813 H SER 98 H SER 98 -23.547 -19.666 14.945 814 HA SER 98 HA SER 98 -21.675 -17.548 15.493 815 HB2 SER 98 HB2 SER 98 -24.583 -16.916 14.993 816 HB3 SER 98 HB3 SER 98 -23.426 -15.816 15.739 817 HG SER 98 HG SER 98 -22.512 -16.817 13.378 818 H LYS 99 H LYS 99 -21.879 -16.735 17.621 819 HA LYS 99 HA LYS 99 -22.506 -16.611 19.781 820 HB2 LYS 99 HB2 LYS 99 -25.214 -17.519 18.807 821 HB3 LYS 99 HB3 LYS 99 -24.862 -16.618 20.277 822 HG2 LYS 99 HG2 LYS 99 -24.582 -15.650 17.442 823 HG3 LYS 99 HG3 LYS 99 -25.749 -15.110 18.649 824 HD2 LYS 99 HD2 LYS 99 -22.807 -14.869 19.157 825 HD3 LYS 99 HD3 LYS 99 -23.648 -13.666 18.181 826 HE2 LYS 99 HE2 LYS 99 -23.566 -12.878 20.428 827 HE3 LYS 99 HE3 LYS 99 -25.226 -13.331 20.060 828 HZ1 LYS 99 HZ1 LYS 99 -23.330 -15.090 21.532 829 HZ2 LYS 99 HZ2 LYS 99 -25.003 -15.309 21.336 830 HZ3 LYS 99 HZ3 LYS 99 -24.420 -14.037 22.288 831 H LYS 100 H LYS 100 -21.159 -18.906 19.301 832 HA LYS 100 HA LYS 100 -22.332 -21.177 20.466 833 HB2 LYS 100 HB2 LYS 100 -20.129 -21.323 19.450 834 HB3 LYS 100 HB3 LYS 100 -19.483 -20.151 20.592 835 HG2 LYS 100 HG2 LYS 100 -20.709 -22.513 21.809 836 HG3 LYS 100 HG3 LYS 100 -19.266 -22.834 20.848 837 HD2 LYS 100 HD2 LYS 100 -17.925 -21.482 22.205 838 HD3 LYS 100 HD3 LYS 100 -19.315 -20.641 22.895 839 HE2 LYS 100 HE2 LYS 100 -18.260 -22.232 24.471 840 HE3 LYS 100 HE3 LYS 100 -19.951 -22.603 24.137 841 HZ1 LYS 100 HZ1 LYS 100 -19.196 -24.287 22.544 842 HZ2 LYS 100 HZ2 LYS 100 -18.651 -24.604 24.114 843 HZ3 LYS 100 HZ3 LYS 100 -17.582 -23.966 22.962 844 H LYS 101 H LYS 101 -20.540 -18.497 21.882 845 HA LYS 101 HA LYS 101 -21.728 -18.955 24.453 846 HB2 LYS 101 HB2 LYS 101 -19.345 -18.326 24.333 847 HB3 LYS 101 HB3 LYS 101 -19.782 -16.827 23.520 848 HG2 LYS 101 HG2 LYS 101 -19.308 -16.541 25.926 849 HG3 LYS 101 HG3 LYS 101 -20.946 -16.048 25.473 850 HD2 LYS 101 HD2 LYS 101 -21.511 -18.527 26.051 851 HD3 LYS 101 HD3 LYS 101 -20.035 -18.431 27.008 852 HE2 LYS 101 HE2 LYS 101 -21.950 -17.895 28.394 853 HE3 LYS 101 HE3 LYS 101 -20.944 -16.465 28.177 854 HZ1 LYS 101 HZ1 LYS 101 -23.357 -16.044 27.951 855 HZ2 LYS 101 HZ2 LYS 101 -23.379 -17.036 26.573 856 HZ3 LYS 101 HZ3 LYS 101 -22.473 -15.608 26.573 Start of MODEL 8 1 H MET 1 H MET 1 3.024 -9.738 -0.566 2 HA MET 1 HA MET 1 5.527 -9.335 0.954 3 HB2 MET 1 HB2 MET 1 6.722 -9.308 -1.147 4 HB3 MET 1 HB3 MET 1 5.885 -10.845 -0.982 5 HG2 MET 1 HG2 MET 1 4.149 -10.089 -2.493 6 HG3 MET 1 HG3 MET 1 4.921 -8.509 -2.618 7 HE1 MET 1 HE1 MET 1 7.987 -9.266 -2.708 8 HE2 MET 1 HE2 MET 1 7.268 -8.092 -3.810 9 HE3 MET 1 HE3 MET 1 8.275 -9.394 -4.443 10 H LYS 2 H LYS 2 2.707 -7.985 -0.157 11 HA LYS 2 HA LYS 2 4.038 -5.401 -0.650 12 HB2 LYS 2 HB2 LYS 2 2.245 -4.785 -2.145 13 HB3 LYS 2 HB3 LYS 2 2.920 -6.323 -2.663 14 HG2 LYS 2 HG2 LYS 2 1.048 -7.503 -1.640 15 HG3 LYS 2 HG3 LYS 2 0.378 -5.969 -1.085 16 HD2 LYS 2 HD2 LYS 2 -0.806 -6.560 -3.051 17 HD3 LYS 2 HD3 LYS 2 0.296 -5.258 -3.499 18 HE2 LYS 2 HE2 LYS 2 1.870 -6.916 -4.392 19 HE3 LYS 2 HE3 LYS 2 0.747 -8.204 -3.960 20 HZ1 LYS 2 HZ1 LYS 2 -0.902 -7.064 -5.437 21 HZ2 LYS 2 HZ2 LYS 2 0.428 -7.746 -6.236 22 HZ3 LYS 2 HZ3 LYS 2 0.360 -6.068 -5.982 23 H GLY 3 H GLY 3 2.079 -7.097 1.455 24 HA2 GLY 3 HA2 GLY 3 0.888 -6.437 3.313 25 HA3 GLY 3 HA3 GLY 3 1.454 -4.797 3.017 26 H ASP 4 H ASP 4 -0.446 -6.933 0.943 27 HA ASP 4 HA ASP 4 -2.145 -4.788 0.161 28 HB2 ASP 4 HB2 ASP 4 -1.624 -6.543 -1.418 29 HB3 ASP 4 HB3 ASP 4 -2.353 -7.753 -0.363 30 H ILE 5 H ILE 5 -4.271 -4.450 0.520 31 HA ILE 5 HA ILE 5 -5.057 -4.986 3.215 32 HB ILE 5 HB ILE 5 -5.451 -2.913 1.467 33 HG12 ILE 5 HG12 ILE 5 -5.440 -2.772 3.909 34 HG13 ILE 5 HG13 ILE 5 -6.811 -1.907 3.224 35 HG21 ILE 5 HG21 ILE 5 -8.103 -4.310 1.758 36 HG22 ILE 5 HG22 ILE 5 -7.203 -4.052 0.259 37 HG23 ILE 5 HG23 ILE 5 -7.863 -2.675 1.142 38 HD11 ILE 5 HD11 ILE 5 -7.442 -3.122 5.215 39 HD12 ILE 5 HD12 ILE 5 -6.895 -4.632 4.485 40 HD13 ILE 5 HD13 ILE 5 -8.272 -3.769 3.799 41 H GLU 6 H GLU 6 -5.960 -6.215 0.057 42 HA GLU 6 HA GLU 6 -8.455 -7.336 0.870 43 HB2 GLU 6 HB2 GLU 6 -6.659 -7.834 -1.490 44 HB3 GLU 6 HB3 GLU 6 -8.039 -8.877 -1.181 45 HG2 GLU 6 HG2 GLU 6 -9.041 -7.406 -2.563 46 HG3 GLU 6 HG3 GLU 6 -9.286 -6.534 -1.053 47 H HIS 7 H HIS 7 -5.158 -8.459 0.695 48 HA HIS 7 HA HIS 7 -5.460 -11.105 1.490 49 HB2 HIS 7 HB2 HIS 7 -3.334 -9.698 0.837 50 HB3 HIS 7 HB3 HIS 7 -3.239 -9.382 2.563 51 HD1 HIS 7 HD1 HIS 7 -1.770 -11.508 0.205 52 HD2 HIS 7 HD2 HIS 7 -3.428 -12.111 3.971 53 HE1 HIS 7 HE1 HIS 7 -0.790 -13.670 1.075 54 H LYS 8 H LYS 8 -5.279 -8.124 3.385 55 HA LYS 8 HA LYS 8 -5.273 -9.298 5.951 56 HB2 LYS 8 HB2 LYS 8 -6.499 -6.622 5.280 57 HB3 LYS 8 HB3 LYS 8 -5.771 -7.122 6.799 58 HG2 LYS 8 HG2 LYS 8 -4.362 -6.593 4.200 59 HG3 LYS 8 HG3 LYS 8 -4.284 -5.632 5.678 60 HD2 LYS 8 HD2 LYS 8 -3.214 -7.469 6.842 61 HD3 LYS 8 HD3 LYS 8 -3.352 -8.483 5.400 62 HE2 LYS 8 HE2 LYS 8 -1.863 -7.071 4.183 63 HE3 LYS 8 HE3 LYS 8 -1.855 -5.875 5.485 64 HZ1 LYS 8 HZ1 LYS 8 -0.814 -8.654 5.716 65 HZ2 LYS 8 HZ2 LYS 8 -0.771 -7.464 6.922 66 HZ3 LYS 8 HZ3 LYS 8 0.143 -7.266 5.514 67 H VAL 9 H VAL 9 -7.926 -7.932 4.024 68 HA VAL 9 HA VAL 9 -10.013 -8.358 5.801 69 HB VAL 9 HB VAL 9 -10.144 -8.580 2.786 70 HG11 VAL 9 HG11 VAL 9 -12.507 -7.916 3.089 71 HG12 VAL 9 HG12 VAL 9 -12.293 -8.051 4.834 72 HG13 VAL 9 HG13 VAL 9 -12.133 -9.479 3.814 73 HG21 VAL 9 HG21 VAL 9 -9.148 -6.468 3.524 74 HG22 VAL 9 HG22 VAL 9 -10.543 -6.173 4.562 75 HG23 VAL 9 HG23 VAL 9 -10.741 -6.216 2.810 76 H TYR 10 H TYR 10 -8.609 -10.550 3.417 77 HA TYR 10 HA TYR 10 -10.433 -12.668 3.836 78 HB2 TYR 10 HB2 TYR 10 -7.611 -12.617 2.771 79 HB3 TYR 10 HB3 TYR 10 -8.560 -14.091 2.873 80 HD1 TYR 10 HD2 TYR 10 -10.289 -10.991 2.030 81 HD2 TYR 10 HD1 TYR 10 -8.268 -14.382 0.462 82 HE1 TYR 10 HE2 TYR 10 -11.271 -10.543 -0.177 83 HE2 TYR 10 HE1 TYR 10 -9.245 -13.948 -1.752 84 HH TYR 10 HH TYR 10 -11.337 -12.760 -2.639 85 H GLN 11 H GLN 11 -7.231 -11.959 5.166 86 HA GLN 11 HA GLN 11 -6.688 -14.294 6.482 87 HB2 GLN 11 HB2 GLN 11 -5.962 -11.464 7.151 88 HB3 GLN 11 HB3 GLN 11 -5.349 -12.827 8.080 89 HG2 GLN 11 HG2 GLN 11 -4.908 -12.275 5.159 90 HG3 GLN 11 HG3 GLN 11 -3.722 -12.153 6.455 91 HE21 GLN 11 HE21 GLN 11 -5.460 -14.259 4.352 92 HE22 GLN 11 HE22 GLN 11 -4.570 -15.700 4.701 93 H LEU 12 H LEU 12 -8.587 -11.584 7.763 94 HA LEU 12 HA LEU 12 -8.876 -13.049 10.270 95 HB2 LEU 12 HB2 LEU 12 -10.179 -10.750 10.754 96 HB3 LEU 12 HB3 LEU 12 -8.469 -10.989 11.013 97 HG LEU 12 HG LEU 12 -8.190 -10.076 8.611 98 HD11 LEU 12 HD11 LEU 12 -9.928 -8.488 7.939 99 HD12 LEU 12 HD12 LEU 12 -10.946 -9.049 9.266 100 HD13 LEU 12 HD13 LEU 12 -10.520 -10.150 7.954 101 HD21 LEU 12 HD21 LEU 12 -8.135 -7.785 9.460 102 HD22 LEU 12 HD22 LEU 12 -7.449 -8.922 10.621 103 HD23 LEU 12 HD23 LEU 12 -9.074 -8.284 10.867 104 H LEU 13 H LEU 13 -10.885 -11.750 7.665 105 HA LEU 13 HA LEU 13 -13.336 -12.259 8.974 106 HB2 LEU 13 HB2 LEU 13 -12.694 -11.945 6.058 107 HB3 LEU 13 HB3 LEU 13 -14.325 -12.138 6.670 108 HG LEU 13 HG LEU 13 -12.443 -9.841 7.133 109 HD11 LEU 13 HD11 LEU 13 -15.230 -10.024 6.010 110 HD12 LEU 13 HD12 LEU 13 -13.750 -9.857 5.067 111 HD13 LEU 13 HD13 LEU 13 -14.257 -8.560 6.150 112 HD21 LEU 13 HD21 LEU 13 -13.490 -10.434 9.261 113 HD22 LEU 13 HD22 LEU 13 -15.076 -10.392 8.490 114 HD23 LEU 13 HD23 LEU 13 -14.126 -8.912 8.634 115 H LYS 14 H LYS 14 -11.467 -14.190 6.667 116 HA LYS 14 HA LYS 14 -13.369 -16.272 6.459 117 HB2 LYS 14 HB2 LYS 14 -11.675 -17.572 5.413 118 HB3 LYS 14 HB3 LYS 14 -11.400 -15.904 4.925 119 HG2 LYS 14 HG2 LYS 14 -9.565 -15.685 6.405 120 HG3 LYS 14 HG3 LYS 14 -9.935 -17.220 7.186 121 HD2 LYS 14 HD2 LYS 14 -9.432 -18.396 5.096 122 HD3 LYS 14 HD3 LYS 14 -9.049 -16.851 4.330 123 HE2 LYS 14 HE2 LYS 14 -7.216 -16.500 5.861 124 HE3 LYS 14 HE3 LYS 14 -7.641 -17.956 6.759 125 HZ1 LYS 14 HZ1 LYS 14 -5.790 -18.346 5.270 126 HZ2 LYS 14 HZ2 LYS 14 -6.722 -17.868 3.935 127 HZ3 LYS 14 HZ3 LYS 14 -7.131 -19.271 4.797 128 H ASP 15 H ASP 15 -11.022 -15.488 8.891 129 HA ASP 15 HA ASP 15 -10.983 -18.033 10.193 130 HB2 ASP 15 HB2 ASP 15 -9.185 -16.409 10.538 131 HB3 ASP 15 HB3 ASP 15 -10.323 -15.276 11.254 132 H GLN 16 H GLN 16 -12.710 -15.002 10.693 133 HA GLN 16 HA GLN 16 -14.093 -15.737 13.035 134 HB2 GLN 16 HB2 GLN 16 -15.218 -13.841 10.980 135 HB3 GLN 16 HB3 GLN 16 -15.433 -13.813 12.721 136 HG2 GLN 16 HG2 GLN 16 -12.719 -13.554 12.383 137 HG3 GLN 16 HG3 GLN 16 -13.402 -12.625 11.055 138 HE21 GLN 16 HE21 GLN 16 -12.947 -10.663 11.786 139 HE22 GLN 16 HE22 GLN 16 -13.641 -9.955 13.199 140 H GLY 17 H GLY 17 -14.563 -16.480 9.727 141 HA2 GLY 17 HA2 GLY 17 -15.923 -18.449 9.252 142 HA3 GLY 17 HA3 GLY 17 -17.089 -17.825 10.412 143 H CYS 18 H CYS 18 -15.378 -15.929 7.974 144 HA CYS 18 HA CYS 18 -17.951 -15.741 6.531 145 HB2 CYS 18 HB2 CYS 18 -17.085 -13.662 7.864 146 HB3 CYS 18 HB3 CYS 18 -15.984 -13.481 6.499 147 H GLU 19 H GLU 19 -17.891 -16.191 4.422 148 HA GLU 19 HA GLU 19 -15.288 -15.953 3.031 149 HB2 GLU 19 HB2 GLU 19 -15.870 -17.749 1.609 150 HB3 GLU 19 HB3 GLU 19 -16.325 -18.286 3.218 151 HG2 GLU 19 HG2 GLU 19 -18.257 -17.105 1.232 152 HG3 GLU 19 HG3 GLU 19 -17.961 -18.829 1.414 153 H ASP 20 H ASP 20 -18.234 -14.587 3.471 154 HA ASP 20 HA ASP 20 -18.820 -13.947 0.712 155 HB2 ASP 20 HB2 ASP 20 -20.597 -14.650 2.364 156 HB3 ASP 20 HB3 ASP 20 -20.353 -13.102 3.169 157 H PHE 21 H PHE 21 -16.961 -12.659 0.399 158 HA PHE 21 HA PHE 21 -17.569 -9.887 0.614 159 HB2 PHE 21 HB2 PHE 21 -15.309 -9.328 1.726 160 HB3 PHE 21 HB3 PHE 21 -16.631 -9.843 2.763 161 HD1 PHE 21 HD1 PHE 21 -13.405 -10.842 1.286 162 HD2 PHE 21 HD2 PHE 21 -16.521 -11.867 3.987 163 HE1 PHE 21 HE1 PHE 21 -11.979 -12.592 2.268 164 HE2 PHE 21 HE2 PHE 21 -15.119 -13.615 4.959 165 HZ PHE 21 HZ PHE 21 -12.827 -13.984 4.119 166 H GLY 22 H GLY 22 -16.131 -8.565 -0.654 167 HA2 GLY 22 HA2 GLY 22 -13.872 -9.539 -2.020 168 HA3 GLY 22 HA3 GLY 22 -15.287 -9.790 -3.036 169 H THR 23 H THR 23 -13.599 -8.214 -4.197 170 HA THR 23 HA THR 23 -14.300 -5.447 -3.500 171 HB THR 23 HB THR 23 -12.373 -4.922 -5.133 172 HG1 THR 23 HG1 THR 23 -10.813 -6.825 -4.966 173 HG21 THR 23 HG21 THR 23 -10.695 -5.190 -3.385 174 HG22 THR 23 HG22 THR 23 -11.747 -6.321 -2.533 175 HG23 THR 23 HG23 THR 23 -12.222 -4.631 -2.700 176 H LYS 24 H LYS 24 -15.095 -4.034 -5.071 177 HA LYS 24 HA LYS 24 -15.576 -5.204 -7.724 178 HB2 LYS 24 HB2 LYS 24 -17.748 -4.282 -7.891 179 HB3 LYS 24 HB3 LYS 24 -17.692 -5.071 -6.325 180 HG2 LYS 24 HG2 LYS 24 -17.731 -3.077 -5.168 181 HG3 LYS 24 HG3 LYS 24 -17.082 -2.156 -6.528 182 HD2 LYS 24 HD2 LYS 24 -19.189 -2.483 -7.739 183 HD3 LYS 24 HD3 LYS 24 -19.839 -3.371 -6.363 184 HE2 LYS 24 HE2 LYS 24 -19.643 -1.378 -4.969 185 HE3 LYS 24 HE3 LYS 24 -18.944 -0.490 -6.323 186 HZ1 LYS 24 HZ1 LYS 24 -21.015 -0.768 -7.535 187 HZ2 LYS 24 HZ2 LYS 24 -21.298 0.002 -6.050 188 HZ3 LYS 24 HZ3 LYS 24 -21.688 -1.640 -6.247 189 H CYS 25 H CYS 25 -15.243 -3.892 -9.434 190 HA CYS 25 HA CYS 25 -14.454 -1.110 -8.867 191 HB2 CYS 25 HB2 CYS 25 -12.533 -2.426 -9.633 192 HB3 CYS 25 HB3 CYS 25 -13.442 -2.969 -11.039 193 HG CYS 25 HG CYS 25 -12.594 -1.110 -12.565 194 H VAL 26 H VAL 26 -16.494 -0.241 -9.191 195 HA VAL 26 HA VAL 26 -17.747 -0.786 -11.781 196 HB VAL 26 HB VAL 26 -19.262 -1.074 -9.920 197 HG11 VAL 26 HG11 VAL 26 -18.688 1.795 -9.205 198 HG12 VAL 26 HG12 VAL 26 -18.213 0.372 -8.278 199 HG13 VAL 26 HG13 VAL 26 -19.920 0.775 -8.463 200 HG21 VAL 26 HG21 VAL 26 -21.053 0.472 -10.599 201 HG22 VAL 26 HG22 VAL 26 -20.214 -0.246 -11.974 202 HG23 VAL 26 HG23 VAL 26 -19.868 1.417 -11.501 203 H ILE 27 H ILE 27 -17.022 0.479 -13.318 204 HA ILE 27 HA ILE 27 -15.926 3.045 -12.891 205 HB ILE 27 HB ILE 27 -16.890 1.681 -15.396 206 HG12 ILE 27 HG12 ILE 27 -14.126 2.382 -14.374 207 HG13 ILE 27 HG13 ILE 27 -14.859 0.779 -14.321 208 HG21 ILE 27 HG21 ILE 27 -15.867 3.500 -16.660 209 HG22 ILE 27 HG22 ILE 27 -15.493 4.343 -15.155 210 HG23 ILE 27 HG23 ILE 27 -17.175 4.098 -15.634 211 HD11 ILE 27 HD11 ILE 27 -14.147 2.339 -16.793 212 HD12 ILE 27 HD12 ILE 27 -14.936 0.762 -16.775 213 HD13 ILE 27 HD13 ILE 27 -13.296 0.934 -16.152 214 H GLU 28 H GLU 28 -16.851 4.908 -12.634 215 HA GLU 28 HA GLU 28 -19.637 5.243 -13.497 216 HB2 GLU 28 HB2 GLU 28 -18.151 6.352 -11.134 217 HB3 GLU 28 HB3 GLU 28 -19.554 7.195 -11.784 218 HG2 GLU 28 HG2 GLU 28 -20.781 4.982 -11.533 219 HG3 GLU 28 HG3 GLU 28 -19.410 4.471 -10.549 220 H GLU 29 H GLU 29 -19.414 6.074 -15.474 221 HA GLU 29 HA GLU 29 -17.495 8.117 -16.068 222 HB2 GLU 29 HB2 GLU 29 -18.775 8.288 -18.248 223 HB3 GLU 29 HB3 GLU 29 -18.066 6.722 -17.899 224 HG2 GLU 29 HG2 GLU 29 -20.945 7.348 -17.323 225 HG3 GLU 29 HG3 GLU 29 -20.397 6.752 -18.887 226 H VAL 30 H VAL 30 -17.683 10.059 -15.226 227 HA VAL 30 HA VAL 30 -20.084 11.020 -14.081 228 HB VAL 30 HB VAL 30 -17.518 12.498 -14.704 229 HG11 VAL 30 HG11 VAL 30 -19.860 13.321 -12.988 230 HG12 VAL 30 HG12 VAL 30 -19.348 14.079 -14.497 231 HG13 VAL 30 HG13 VAL 30 -18.313 14.162 -13.071 232 HG21 VAL 30 HG21 VAL 30 -17.066 12.209 -12.311 233 HG22 VAL 30 HG22 VAL 30 -17.228 10.659 -13.137 234 HG23 VAL 30 HG23 VAL 30 -18.552 11.273 -12.148 235 H LYS 31 H LYS 31 -21.760 11.538 -15.236 236 HA LYS 31 HA LYS 31 -21.582 12.406 -17.946 237 HB2 LYS 31 HB2 LYS 31 -23.408 10.988 -17.285 238 HB3 LYS 31 HB3 LYS 31 -23.909 12.122 -16.042 239 HG2 LYS 31 HG2 LYS 31 -24.674 13.683 -17.664 240 HG3 LYS 31 HG3 LYS 31 -23.951 12.755 -18.979 241 HD2 LYS 31 HD2 LYS 31 -26.443 12.492 -18.702 242 HD3 LYS 31 HD3 LYS 31 -25.515 10.993 -18.720 243 HE2 LYS 31 HE2 LYS 31 -27.236 10.962 -16.979 244 HE3 LYS 31 HE3 LYS 31 -25.617 10.879 -16.291 245 HZ1 LYS 31 HZ1 LYS 31 -25.742 13.159 -15.659 246 HZ2 LYS 31 HZ2 LYS 31 -27.151 12.400 -15.108 247 HZ3 LYS 31 HZ3 LYS 31 -27.204 13.382 -16.492 248 H SER 32 H SER 32 -20.270 14.268 -17.631 249 HA SER 32 HA SER 32 -21.495 16.589 -16.411 250 HB2 SER 32 HB2 SER 32 -19.034 16.201 -16.276 251 HB3 SER 32 HB3 SER 32 -18.937 16.385 -18.026 252 HG SER 32 HG SER 32 -19.067 18.477 -17.807 253 H SER 33 H SER 33 -22.684 18.041 -17.461 254 HA SER 33 HA SER 33 -23.300 17.616 -20.234 255 HB2 SER 33 HB2 SER 33 -24.217 19.801 -18.348 256 HB3 SER 33 HB3 SER 33 -24.920 19.430 -19.925 257 HG SER 33 HG SER 33 -25.479 18.332 -17.557 258 H HIS 34 H HIS 34 -23.458 19.664 -21.644 259 HA HIS 34 HA HIS 34 -22.459 21.342 -22.803 260 HB2 HIS 34 HB2 HIS 34 -20.820 21.734 -20.284 261 HB3 HIS 34 HB3 HIS 34 -20.733 22.782 -21.696 262 HD1 HIS 34 HD1 HIS 34 -22.545 24.564 -21.940 263 HD2 HIS 34 HD2 HIS 34 -23.266 21.876 -18.850 264 HE1 HIS 34 HE1 HIS 34 -24.493 25.495 -20.622 265 H LYS 35 H LYS 35 -21.649 18.586 -22.803 266 HA LYS 35 HA LYS 35 -18.802 18.671 -23.393 267 HB2 LYS 35 HB2 LYS 35 -19.117 16.199 -23.789 268 HB3 LYS 35 HB3 LYS 35 -19.463 16.747 -22.156 269 HG2 LYS 35 HG2 LYS 35 -21.892 16.812 -22.808 270 HG3 LYS 35 HG3 LYS 35 -21.429 15.994 -24.301 271 HD2 LYS 35 HD2 LYS 35 -20.543 14.121 -23.037 272 HD3 LYS 35 HD3 LYS 35 -20.881 14.955 -21.520 273 HE2 LYS 35 HE2 LYS 35 -23.289 14.941 -22.100 274 HE3 LYS 35 HE3 LYS 35 -22.906 13.997 -23.538 275 HZ1 LYS 35 HZ1 LYS 35 -21.970 12.271 -22.076 276 HZ2 LYS 35 HZ2 LYS 35 -23.617 12.542 -21.782 277 HZ3 LYS 35 HZ3 LYS 35 -22.461 13.170 -20.726 278 H THR 36 H THR 36 -18.231 17.279 -25.438 279 HA THR 36 HA THR 36 -19.208 18.829 -27.623 280 HB THR 36 HB THR 36 -16.843 18.156 -27.437 281 HG1 THR 36 HG1 THR 36 -16.695 18.172 -29.556 282 HG21 THR 36 HG21 THR 36 -17.123 15.901 -26.549 283 HG22 THR 36 HG22 THR 36 -16.171 15.867 -28.033 284 HG23 THR 36 HG23 THR 36 -17.867 15.384 -28.061 285 H LEU 37 H LEU 37 -20.340 18.187 -29.422 286 HA LEU 37 HA LEU 37 -21.728 15.598 -29.225 287 HB2 LEU 37 HB2 LEU 37 -22.709 18.166 -30.476 288 HB3 LEU 37 HB3 LEU 37 -23.579 16.644 -30.475 289 HG LEU 37 HG LEU 37 -22.873 18.241 -28.010 290 HD11 LEU 37 HD11 LEU 37 -25.514 17.882 -29.416 291 HD12 LEU 37 HD12 LEU 37 -24.549 19.358 -29.388 292 HD13 LEU 37 HD13 LEU 37 -25.254 18.737 -27.895 293 HD21 LEU 37 HD21 LEU 37 -24.569 15.768 -28.351 294 HD22 LEU 37 HD22 LEU 37 -24.361 16.680 -26.855 295 HD23 LEU 37 HD23 LEU 37 -22.987 15.844 -27.576 296 H LEU 38 H LEU 38 -21.320 14.206 -30.804 297 HA LEU 38 HA LEU 38 -20.447 15.174 -33.413 298 HB2 LEU 38 HB2 LEU 38 -18.588 13.485 -33.433 299 HB3 LEU 38 HB3 LEU 38 -18.338 14.859 -32.380 300 HG LEU 38 HG LEU 38 -19.293 12.182 -31.324 301 HD11 LEU 38 HD11 LEU 38 -17.201 11.823 -32.479 302 HD12 LEU 38 HD12 LEU 38 -16.971 11.733 -30.733 303 HD13 LEU 38 HD13 LEU 38 -16.469 13.176 -31.617 304 HD21 LEU 38 HD21 LEU 38 -17.827 14.425 -29.950 305 HD22 LEU 38 HD22 LEU 38 -18.547 12.992 -29.215 306 HD23 LEU 38 HD23 LEU 38 -19.578 14.230 -29.923 307 H ASN 39 H ASN 39 -20.548 12.050 -31.769 308 HA ASN 39 HA ASN 39 -22.799 11.177 -33.406 309 HB2 ASN 39 HB2 ASN 39 -20.864 10.453 -34.704 310 HB3 ASN 39 HB3 ASN 39 -20.120 9.767 -33.264 311 HD21 ASN 39 HD21 ASN 39 -22.673 9.427 -35.606 312 HD22 ASN 39 HD22 ASN 39 -22.989 7.753 -35.309 313 H THR 40 H THR 40 -20.513 9.278 -31.519 314 HA THR 40 HA THR 40 -22.361 9.304 -29.248 315 HB THR 40 HB THR 40 -20.555 7.689 -28.306 316 HG1 THR 40 HG1 THR 40 -19.532 6.522 -30.129 317 HG21 THR 40 HG21 THR 40 -22.279 6.810 -30.631 318 HG22 THR 40 HG22 THR 40 -22.810 6.967 -28.956 319 HG23 THR 40 HG23 THR 40 -21.603 5.757 -29.391 320 H GLU 41 H GLU 41 -21.416 9.920 -27.136 321 HA GLU 41 HA GLU 41 -19.652 12.120 -27.330 322 HB2 GLU 41 HB2 GLU 41 -19.539 11.904 -24.806 323 HB3 GLU 41 HB3 GLU 41 -21.135 12.151 -25.497 324 HG2 GLU 41 HG2 GLU 41 -21.430 9.653 -25.376 325 HG3 GLU 41 HG3 GLU 41 -19.966 9.625 -24.392 326 H LEU 42 H LEU 42 -17.803 11.754 -28.195 327 HA LEU 42 HA LEU 42 -16.218 9.810 -28.711 328 HB2 LEU 42 HB2 LEU 42 -15.768 12.329 -28.896 329 HB3 LEU 42 HB3 LEU 42 -14.930 12.170 -27.367 330 HG LEU 42 HG LEU 42 -13.500 12.141 -29.465 331 HD11 LEU 42 HD11 LEU 42 -12.610 11.416 -27.331 332 HD12 LEU 42 HD12 LEU 42 -12.007 10.381 -28.626 333 HD13 LEU 42 HD13 LEU 42 -13.295 9.809 -27.566 334 HD21 LEU 42 HD21 LEU 42 -14.671 9.375 -29.709 335 HD22 LEU 42 HD22 LEU 42 -13.329 10.017 -30.658 336 HD23 LEU 42 HD23 LEU 42 -14.940 10.718 -30.817 337 H HIS 43 H HIS 43 -15.279 11.433 -25.669 338 HA HIS 43 HA HIS 43 -15.221 8.867 -24.314 339 HB2 HIS 43 HB2 HIS 43 -12.945 9.186 -25.374 340 HB3 HIS 43 HB3 HIS 43 -12.741 10.600 -24.345 341 HD1 HIS 43 HD1 HIS 43 -11.935 10.165 -21.949 342 HD2 HIS 43 HD2 HIS 43 -13.135 6.716 -23.944 343 HE1 HIS 43 HE1 HIS 43 -11.297 8.223 -20.464 344 H LEU 44 H LEU 44 -16.554 9.373 -22.718 345 HA LEU 44 HA LEU 44 -16.596 11.963 -21.486 346 HB2 LEU 44 HB2 LEU 44 -18.608 10.507 -21.744 347 HB3 LEU 44 HB3 LEU 44 -17.905 9.389 -20.593 348 HG LEU 44 HG LEU 44 -17.993 11.148 -18.856 349 HD11 LEU 44 HD11 LEU 44 -17.866 13.104 -20.306 350 HD12 LEU 44 HD12 LEU 44 -19.291 13.178 -19.268 351 HD13 LEU 44 HD13 LEU 44 -19.457 12.730 -20.967 352 HD21 LEU 44 HD21 LEU 44 -20.624 10.584 -20.222 353 HD22 LEU 44 HD22 LEU 44 -20.418 11.097 -18.546 354 HD23 LEU 44 HD23 LEU 44 -19.805 9.528 -19.071 355 H THR 45 H THR 45 -15.779 12.541 -19.484 356 HA THR 45 HA THR 45 -13.520 11.177 -18.501 357 HB THR 45 HB THR 45 -15.173 13.173 -16.967 358 HG1 THR 45 HG1 THR 45 -13.191 13.580 -18.987 359 HG21 THR 45 HG21 THR 45 -13.422 12.104 -15.668 360 HG22 THR 45 HG22 THR 45 -12.994 13.785 -15.985 361 HG23 THR 45 HG23 THR 45 -12.234 12.491 -16.912 362 H LYS 46 H LYS 46 -13.693 9.211 -17.659 363 HA LYS 46 HA LYS 46 -15.961 8.633 -15.912 364 HB2 LYS 46 HB2 LYS 46 -16.112 6.575 -16.801 365 HB3 LYS 46 HB3 LYS 46 -15.202 7.283 -18.123 366 HG2 LYS 46 HG2 LYS 46 -13.976 5.789 -15.821 367 HG3 LYS 46 HG3 LYS 46 -14.378 5.079 -17.382 368 HD2 LYS 46 HD2 LYS 46 -12.735 6.354 -18.495 369 HD3 LYS 46 HD3 LYS 46 -12.550 7.451 -17.118 370 HE2 LYS 46 HE2 LYS 46 -11.667 5.649 -15.777 371 HE3 LYS 46 HE3 LYS 46 -11.867 4.522 -17.119 372 HZ1 LYS 46 HZ1 LYS 46 -10.024 6.853 -17.009 373 HZ2 LYS 46 HZ2 LYS 46 -10.277 5.902 -18.394 374 HZ3 LYS 46 HZ3 LYS 46 -9.594 5.213 -17.006 375 H TYR 47 H TYR 47 -15.643 7.437 -14.004 376 HA TYR 47 HA TYR 47 -12.922 7.618 -12.910 377 HB2 TYR 47 HB2 TYR 47 -15.545 8.394 -11.635 378 HB3 TYR 47 HB3 TYR 47 -14.107 8.061 -10.679 379 HD1 TYR 47 HD2 TYR 47 -15.214 10.199 -13.551 380 HD2 TYR 47 HD1 TYR 47 -12.714 9.812 -10.134 381 HE1 TYR 47 HE2 TYR 47 -14.466 12.523 -13.844 382 HE2 TYR 47 HE1 TYR 47 -11.958 12.134 -10.418 383 HH TYR 47 HH TYR 47 -13.516 14.353 -12.388 384 H TYR 48 H TYR 48 -12.307 5.993 -11.498 385 HA TYR 48 HA TYR 48 -13.788 3.520 -11.746 386 HB2 TYR 48 HB2 TYR 48 -11.089 4.250 -10.653 387 HB3 TYR 48 HB3 TYR 48 -11.802 2.683 -10.290 388 HD1 TYR 48 HD2 TYR 48 -12.409 4.310 -13.516 389 HD2 TYR 48 HD1 TYR 48 -10.024 1.485 -11.421 390 HE1 TYR 48 HE2 TYR 48 -11.582 3.424 -15.654 391 HE2 TYR 48 HE1 TYR 48 -9.192 0.593 -13.555 392 HH TYR 48 HH TYR 48 -9.969 0.500 -15.945 393 H GLY 49 H GLY 49 -15.469 3.277 -10.466 394 HA2 GLY 49 HA2 GLY 49 -15.469 4.331 -7.756 395 HA3 GLY 49 HA3 GLY 49 -16.800 3.512 -8.569 396 H PHE 50 H PHE 50 -13.623 2.961 -7.098 397 HA PHE 50 HA PHE 50 -13.976 0.133 -6.900 398 HB2 PHE 50 HB2 PHE 50 -11.982 2.115 -5.965 399 HB3 PHE 50 HB3 PHE 50 -12.109 0.637 -5.018 400 HD1 PHE 50 HD2 PHE 50 -11.647 -1.539 -6.048 401 HD2 PHE 50 HD1 PHE 50 -11.003 2.105 -8.156 402 HE1 PHE 50 HE2 PHE 50 -10.237 -2.727 -7.672 403 HE2 PHE 50 HE1 PHE 50 -9.615 0.926 -9.772 404 HZ PHE 50 HZ PHE 50 -9.208 -1.488 -9.532 405 H SER 51 H SER 51 -14.986 -1.026 -5.369 406 HA SER 51 HA SER 51 -15.478 0.200 -2.760 407 HB2 SER 51 HB2 SER 51 -17.691 -1.220 -4.232 408 HB3 SER 51 HB3 SER 51 -17.806 -0.235 -2.775 409 HG SER 51 HG SER 51 -16.747 1.269 -4.677 410 H PHE 52 H PHE 52 -15.630 -1.298 -1.078 411 HA PHE 52 HA PHE 52 -15.058 -4.071 -1.865 412 HB2 PHE 52 HB2 PHE 52 -13.452 -2.896 -0.277 413 HB3 PHE 52 HB3 PHE 52 -14.749 -2.936 0.917 414 HD1 PHE 52 HD2 PHE 52 -15.651 -5.138 1.674 415 HD2 PHE 52 HD1 PHE 52 -12.167 -4.814 -0.745 416 HE1 PHE 52 HE2 PHE 52 -15.033 -7.444 2.259 417 HE2 PHE 52 HE1 PHE 52 -11.545 -7.121 -0.167 418 HZ PHE 52 HZ PHE 52 -12.980 -8.437 1.337 419 H PHE 53 H PHE 53 -16.561 -5.526 -1.662 420 HA PHE 53 HA PHE 53 -19.064 -4.800 -0.339 421 HB2 PHE 53 HB2 PHE 53 -18.334 -6.401 -2.669 422 HB3 PHE 53 HB3 PHE 53 -19.496 -7.206 -1.620 423 HD1 PHE 53 HD2 PHE 53 -18.904 -4.348 -3.819 424 HD2 PHE 53 HD1 PHE 53 -21.696 -6.331 -1.302 425 HE1 PHE 53 HE2 PHE 53 -20.721 -2.995 -4.775 426 HE2 PHE 53 HE1 PHE 53 -23.522 -4.982 -2.254 427 HZ PHE 53 HZ PHE 53 -23.035 -3.310 -3.990 428 H ARG 54 H ARG 54 -19.920 -5.910 1.296 429 HA ARG 54 HA ARG 54 -18.797 -8.475 2.102 430 HB2 ARG 54 HB2 ARG 54 -17.732 -6.294 3.255 431 HB3 ARG 54 HB3 ARG 54 -19.151 -6.465 4.273 432 HG2 ARG 54 HG2 ARG 54 -17.314 -8.775 3.800 433 HG3 ARG 54 HG3 ARG 54 -16.945 -7.548 5.010 434 HD2 ARG 54 HD2 ARG 54 -19.092 -7.991 6.100 435 HD3 ARG 54 HD3 ARG 54 -19.440 -9.235 4.899 436 HE ARG 54 HE ARG 54 -17.493 -10.443 5.780 437 HH11 ARG 54 1HH1 ARG 54 -18.921 -7.960 7.765 438 HH12 ARG 54 2HH1 ARG 54 -18.353 -8.637 9.258 439 HH21 ARG 54 1HH2 ARG 54 -16.733 -11.342 7.769 440 HH22 ARG 54 2HH2 ARG 54 -17.117 -10.552 9.263 441 H HIS 55 H HIS 55 -20.610 -9.664 2.029 442 HA HIS 55 HA HIS 55 -22.749 -10.367 2.289 443 HB2 HIS 55 HB2 HIS 55 -22.457 -8.516 4.600 444 HB3 HIS 55 HB3 HIS 55 -24.066 -9.111 4.201 445 HD1 HIS 55 HD1 HIS 55 -24.659 -11.355 5.130 446 HD2 HIS 55 HD2 HIS 55 -20.557 -10.676 5.061 447 HE1 HIS 55 HE1 HIS 55 -23.583 -13.333 6.302 448 H GLY 56 H GLY 56 -22.123 -8.085 0.512 449 HA2 GLY 56 HA2 GLY 56 -23.466 -6.997 -1.049 450 HA3 GLY 56 HA3 GLY 56 -24.870 -7.376 -0.061 451 H ASN 57 H ASN 57 -22.654 -6.112 1.991 452 HA ASN 57 HA ASN 57 -23.774 -3.417 1.730 453 HB2 ASN 57 HB2 ASN 57 -22.050 -4.450 3.991 454 HB3 ASN 57 HB3 ASN 57 -23.036 -2.993 3.977 455 HD21 ASN 57 HD21 ASN 57 -22.957 -6.377 4.367 456 HD22 ASN 57 HD22 ASN 57 -24.589 -6.590 4.915 457 H ILE 58 H ILE 58 -22.144 -1.681 2.378 458 HA ILE 58 HA ILE 58 -19.696 -2.143 0.820 459 HB ILE 58 HB ILE 58 -21.303 0.369 1.253 460 HG12 ILE 58 HG12 ILE 58 -21.947 -1.206 -0.561 461 HG13 ILE 58 HG13 ILE 58 -21.464 0.379 -1.160 462 HG21 ILE 58 HG21 ILE 58 -18.547 0.155 0.045 463 HG22 ILE 58 HG22 ILE 58 -18.962 0.958 1.559 464 HG23 ILE 58 HG23 ILE 58 -19.567 1.595 0.030 465 HD11 ILE 58 HD11 ILE 58 -20.568 -1.372 -2.557 466 HD12 ILE 58 HD12 ILE 58 -19.793 -2.124 -1.162 467 HD13 ILE 58 HD13 ILE 58 -19.260 -0.538 -1.719 468 H VAL 59 H VAL 59 -17.999 -2.414 1.989 469 HA VAL 59 HA VAL 59 -17.810 -1.203 4.645 470 HB VAL 59 HB VAL 59 -16.096 -3.289 3.290 471 HG11 VAL 59 HG11 VAL 59 -14.696 -1.975 4.744 472 HG12 VAL 59 HG12 VAL 59 -15.010 -3.539 5.499 473 HG13 VAL 59 HG13 VAL 59 -15.872 -2.104 6.050 474 HG21 VAL 59 HG21 VAL 59 -18.237 -4.167 3.958 475 HG22 VAL 59 HG22 VAL 59 -18.066 -3.456 5.563 476 HG23 VAL 59 HG23 VAL 59 -16.998 -4.768 5.061 477 H ALA 60 H ALA 60 -16.255 -1.244 1.495 478 HA ALA 60 HA ALA 60 -14.775 1.170 2.304 479 HB1 ALA 60 1HB ALA 60 -13.664 -1.052 0.592 480 HB2 ALA 60 HB2 ALA 60 -13.212 -0.712 2.264 481 HB3 ALA 60 HB3 ALA 60 -12.849 0.460 0.994 482 H TYR 61 H TYR 61 -14.529 2.739 0.732 483 HA TYR 61 HA TYR 61 -15.522 2.238 -1.949 484 HB2 TYR 61 HB2 TYR 61 -17.459 3.019 -0.459 485 HB3 TYR 61 HB3 TYR 61 -16.622 4.563 -0.364 486 HD1 TYR 61 HD2 TYR 61 -16.408 5.983 -2.370 487 HD2 TYR 61 HD1 TYR 61 -18.593 2.339 -2.451 488 HE1 TYR 61 HE2 TYR 61 -17.458 6.666 -4.487 489 HE2 TYR 61 HE1 TYR 61 -19.652 3.011 -4.562 490 HH TYR 61 HH TYR 61 -20.111 4.884 -5.871 491 H GLY 62 H GLY 62 -14.395 3.397 -3.423 492 HA2 GLY 62 HA2 GLY 62 -13.025 5.842 -2.683 493 HA3 GLY 62 HA3 GLY 62 -11.966 4.476 -3.012 494 H LYS 63 H LYS 63 -13.808 6.997 -4.350 495 HA LYS 63 HA LYS 63 -13.633 5.835 -7.041 496 HB2 LYS 63 HB2 LYS 63 -15.836 6.648 -6.292 497 HB3 LYS 63 HB3 LYS 63 -15.153 8.248 -6.046 498 HG2 LYS 63 HG2 LYS 63 -14.714 8.458 -8.419 499 HG3 LYS 63 HG3 LYS 63 -15.321 6.820 -8.692 500 HD2 LYS 63 HD2 LYS 63 -16.910 9.114 -7.553 501 HD3 LYS 63 HD3 LYS 63 -17.012 8.521 -9.215 502 HE2 LYS 63 HE2 LYS 63 -17.876 6.427 -8.500 503 HE3 LYS 63 HE3 LYS 63 -17.507 6.777 -6.814 504 HZ1 LYS 63 HZ1 LYS 63 -19.159 8.599 -6.937 505 HZ2 LYS 63 HZ2 LYS 63 -19.825 7.057 -7.158 506 HZ3 LYS 63 HZ3 LYS 63 -19.587 8.065 -8.495 507 H SER 64 H SER 64 -12.032 6.451 -8.307 508 HA SER 64 HA SER 64 -11.125 9.217 -8.264 509 HB2 SER 64 HB2 SER 64 -9.215 6.888 -7.978 510 HB3 SER 64 HB3 SER 64 -8.756 8.580 -8.182 511 HG SER 64 HG SER 64 -10.490 8.355 -6.148 512 H ARG 65 H ARG 65 -9.861 9.775 -10.149 513 HA ARG 65 HA ARG 65 -10.824 8.474 -12.511 514 HB2 ARG 65 HB2 ARG 65 -10.532 10.882 -12.474 515 HB3 ARG 65 HB3 ARG 65 -8.825 10.709 -12.100 516 HG2 ARG 65 HG2 ARG 65 -8.308 9.976 -14.256 517 HG3 ARG 65 HG3 ARG 65 -9.993 9.611 -14.629 518 HD2 ARG 65 HD2 ARG 65 -9.093 11.688 -15.707 519 HD3 ARG 65 HD3 ARG 65 -10.556 11.913 -14.751 520 HE ARG 65 HE ARG 65 -8.462 12.451 -13.043 521 HH11 ARG 65 1HH1 ARG 65 -9.599 13.697 -16.101 522 HH12 ARG 65 2HH1 ARG 65 -9.086 15.325 -15.792 523 HH21 ARG 65 1HH2 ARG 65 -7.815 14.588 -12.590 524 HH22 ARG 65 2HH2 ARG 65 -8.039 15.831 -13.788 525 H LYS 66 H LYS 66 -8.117 8.123 -10.477 526 HA LYS 66 HA LYS 66 -6.778 6.414 -12.462 527 HB2 LYS 66 HB2 LYS 66 -5.666 7.631 -9.922 528 HB3 LYS 66 HB3 LYS 66 -4.769 6.634 -11.060 529 HG2 LYS 66 HG2 LYS 66 -6.004 9.306 -11.698 530 HG3 LYS 66 HG3 LYS 66 -4.302 9.031 -11.326 531 HD2 LYS 66 HD2 LYS 66 -5.753 7.694 -13.603 532 HD3 LYS 66 HD3 LYS 66 -4.847 9.198 -13.771 533 HE2 LYS 66 HE2 LYS 66 -3.700 6.581 -12.805 534 HE3 LYS 66 HE3 LYS 66 -3.544 7.215 -14.443 535 HZ1 LYS 66 HZ1 LYS 66 -1.579 7.699 -13.131 536 HZ2 LYS 66 HZ2 LYS 66 -2.511 8.517 -11.976 537 HZ3 LYS 66 HZ3 LYS 66 -2.376 9.136 -13.549 538 H VAL 67 H VAL 67 -6.834 4.295 -12.165 539 HA VAL 67 HA VAL 67 -8.396 3.004 -10.284 540 HB VAL 67 HB VAL 67 -7.787 1.850 -12.284 541 HG11 VAL 67 HG11 VAL 67 -4.942 2.018 -11.351 542 HG12 VAL 67 HG12 VAL 67 -5.659 2.865 -12.721 543 HG13 VAL 67 HG13 VAL 67 -5.503 1.109 -12.753 544 HG21 VAL 67 HG21 VAL 67 -6.753 -0.281 -11.407 545 HG22 VAL 67 HG22 VAL 67 -8.199 0.275 -10.580 546 HG23 VAL 67 HG23 VAL 67 -6.619 0.532 -9.847 547 H ALA 68 H ALA 68 -4.928 3.665 -10.178 548 HA ALA 68 HA ALA 68 -4.277 2.191 -7.903 549 HB1 ALA 68 1HB ALA 68 -2.623 3.151 -9.421 550 HB2 ALA 68 HB2 ALA 68 -2.309 3.618 -7.749 551 HB3 ALA 68 HB3 ALA 68 -3.047 4.769 -8.864 552 H ASN 69 H ASN 69 -5.257 5.612 -8.158 553 HA ASN 69 HA ASN 69 -5.043 6.127 -5.375 554 HB2 ASN 69 HB2 ASN 69 -5.075 7.846 -7.283 555 HB3 ASN 69 HB3 ASN 69 -6.823 7.658 -7.273 556 HD21 ASN 69 HD21 ASN 69 -8.018 8.496 -5.587 557 HD22 ASN 69 HD22 ASN 69 -7.335 9.557 -4.396 558 H ALA 70 H ALA 70 -7.711 5.200 -7.486 559 HA ALA 70 HA ALA 70 -9.812 5.394 -5.651 560 HB1 ALA 70 1HB ALA 70 -10.105 5.063 -8.075 561 HB2 ALA 70 HB2 ALA 70 -11.024 3.898 -7.121 562 HB3 ALA 70 HB3 ALA 70 -9.521 3.406 -7.902 563 H LYS 71 H LYS 71 -7.727 2.629 -6.453 564 HA LYS 71 HA LYS 71 -8.806 0.813 -4.598 565 HB2 LYS 71 HB2 LYS 71 -5.999 1.024 -5.695 566 HB3 LYS 71 HB3 LYS 71 -6.609 -0.349 -4.782 567 HG2 LYS 71 HG2 LYS 71 -8.291 -0.708 -6.506 568 HG3 LYS 71 HG3 LYS 71 -7.617 0.639 -7.418 569 HD2 LYS 71 HD2 LYS 71 -6.146 -1.883 -6.667 570 HD3 LYS 71 HD3 LYS 71 -6.820 -1.528 -8.257 571 HE2 LYS 71 HE2 LYS 71 -5.342 0.407 -8.452 572 HE3 LYS 71 HE3 LYS 71 -4.667 0.056 -6.861 573 HZ1 LYS 71 HZ1 LYS 71 -4.529 -1.759 -9.214 574 HZ2 LYS 71 HZ2 LYS 71 -3.832 -2.040 -7.693 575 HZ3 LYS 71 HZ3 LYS 71 -3.263 -0.773 -8.667 576 H TYR 72 H TYR 72 -6.301 3.244 -4.366 577 HA TYR 72 HA TYR 72 -5.204 2.540 -1.938 578 HB2 TYR 72 HB2 TYR 72 -3.968 4.146 -3.044 579 HB3 TYR 72 HB3 TYR 72 -5.395 5.054 -3.529 580 HD1 TYR 72 HD2 TYR 72 -3.456 4.206 -0.431 581 HD2 TYR 72 HD1 TYR 72 -5.812 7.063 -2.527 582 HE1 TYR 72 HE2 TYR 72 -3.045 5.852 1.355 583 HE2 TYR 72 HE1 TYR 72 -5.410 8.709 -0.755 584 HH TYR 72 HH TYR 72 -4.780 8.857 1.497 585 H ILE 73 H ILE 73 -7.860 4.771 -2.623 586 HA ILE 73 HA ILE 73 -8.358 5.619 -0.007 587 HB ILE 73 HB ILE 73 -10.267 5.372 -2.324 588 HG12 ILE 73 HG12 ILE 73 -8.955 7.883 -1.338 589 HG13 ILE 73 HG13 ILE 73 -8.103 6.806 -2.440 590 HG21 ILE 73 HG21 ILE 73 -11.639 7.020 -1.144 591 HG22 ILE 73 HG22 ILE 73 -10.528 6.964 0.224 592 HG23 ILE 73 HG23 ILE 73 -11.469 5.534 -0.205 593 HD11 ILE 73 HD11 ILE 73 -9.181 8.580 -3.652 594 HD12 ILE 73 HD12 ILE 73 -10.742 8.144 -2.952 595 HD13 ILE 73 HD13 ILE 73 -9.919 7.029 -4.046 596 H MET 74 H MET 74 -10.034 3.089 -1.898 597 HA MET 74 HA MET 74 -11.780 2.352 0.177 598 HB2 MET 74 HB2 MET 74 -12.275 0.356 -1.103 599 HB3 MET 74 HB3 MET 74 -12.156 1.733 -2.188 600 HG2 MET 74 HG2 MET 74 -10.144 1.014 -3.071 601 HG3 MET 74 HG3 MET 74 -9.819 -0.054 -1.706 602 HE1 MET 74 HE1 MET 74 -9.089 -1.736 -3.726 603 HE2 MET 74 HE2 MET 74 -10.202 -3.105 -3.678 604 HE3 MET 74 HE3 MET 74 -9.662 -2.347 -2.175 605 H LYS 75 H LYS 75 -8.549 1.154 -0.685 606 HA LYS 75 HA LYS 75 -8.504 -1.021 1.070 607 HB2 LYS 75 HB2 LYS 75 -6.319 0.715 -0.048 608 HB3 LYS 75 HB3 LYS 75 -5.980 -0.666 0.988 609 HG2 LYS 75 HG2 LYS 75 -6.903 -2.184 -0.583 610 HG3 LYS 75 HG3 LYS 75 -7.582 -0.872 -1.548 611 HD2 LYS 75 HD2 LYS 75 -5.312 -0.094 -2.050 612 HD3 LYS 75 HD3 LYS 75 -4.654 -1.451 -1.129 613 HE2 LYS 75 HE2 LYS 75 -6.454 -1.723 -3.530 614 HE3 LYS 75 HE3 LYS 75 -4.698 -1.814 -3.600 615 HZ1 LYS 75 HZ1 LYS 75 -6.478 -3.656 -2.073 616 HZ2 LYS 75 HZ2 LYS 75 -4.785 -3.763 -2.155 617 HZ3 LYS 75 HZ3 LYS 75 -5.718 -4.001 -3.545 618 H GLN 76 H GLN 76 -7.542 2.358 1.592 619 HA GLN 76 HA GLN 76 -6.596 2.045 4.225 620 HB2 GLN 76 HB2 GLN 76 -7.845 4.469 2.923 621 HB3 GLN 76 HB3 GLN 76 -6.961 4.484 4.442 622 HG2 GLN 76 HG2 GLN 76 -5.859 3.780 1.734 623 HG3 GLN 76 HG3 GLN 76 -5.557 5.257 2.642 624 HE21 GLN 76 HE21 GLN 76 -4.204 5.185 4.450 625 HE22 GLN 76 HE22 GLN 76 -3.129 3.863 4.734 626 H ARG 77 H ARG 77 -9.812 2.232 2.945 627 HA ARG 77 HA ARG 77 -11.198 3.011 5.264 628 HB2 ARG 77 HB2 ARG 77 -12.106 1.233 3.003 629 HB3 ARG 77 HB3 ARG 77 -13.165 1.942 4.212 630 HG2 ARG 77 HG2 ARG 77 -11.431 3.608 2.413 631 HG3 ARG 77 HG3 ARG 77 -13.053 3.090 1.955 632 HD2 ARG 77 HD2 ARG 77 -13.174 5.308 2.861 633 HD3 ARG 77 HD3 ARG 77 -13.925 4.194 3.996 634 HE ARG 77 HE ARG 77 -11.214 4.579 4.682 635 HH11 ARG 77 1HH1 ARG 77 -14.294 6.213 4.692 636 HH12 ARG 77 2HH1 ARG 77 -13.894 7.259 6.020 637 HH21 ARG 77 1HH2 ARG 77 -10.680 5.929 6.487 638 HH22 ARG 77 2HH2 ARG 77 -11.856 7.067 7.064 639 H LEU 78 H LEU 78 -10.893 -0.316 3.922 640 HA LEU 78 HA LEU 78 -11.770 -1.536 6.334 641 HB2 LEU 78 HB2 LEU 78 -9.916 -3.025 4.554 642 HB3 LEU 78 HB3 LEU 78 -11.375 -3.568 5.364 643 HG LEU 78 HG LEU 78 -12.360 -1.761 3.551 644 HD11 LEU 78 HD11 LEU 78 -10.192 -1.514 2.474 645 HD12 LEU 78 HD12 LEU 78 -11.328 -2.340 1.407 646 HD13 LEU 78 HD13 LEU 78 -10.087 -3.262 2.257 647 HD21 LEU 78 HD21 LEU 78 -11.941 -4.724 3.219 648 HD22 LEU 78 HD22 LEU 78 -13.114 -3.740 2.343 649 HD23 LEU 78 HD23 LEU 78 -13.267 -3.949 4.086 650 H LEU 79 H LEU 79 -8.632 -0.617 5.106 651 HA LEU 79 HA LEU 79 -6.914 -1.955 6.796 652 HB2 LEU 79 HB2 LEU 79 -6.268 -0.515 4.886 653 HB3 LEU 79 HB3 LEU 79 -6.683 0.901 5.823 654 HG LEU 79 HG LEU 79 -4.205 0.259 5.581 655 HD11 LEU 79 HD11 LEU 79 -3.679 1.102 7.791 656 HD12 LEU 79 HD12 LEU 79 -5.323 0.757 8.332 657 HD13 LEU 79 HD13 LEU 79 -5.040 1.986 7.096 658 HD21 LEU 79 HD21 LEU 79 -4.395 -2.096 6.100 659 HD22 LEU 79 HD22 LEU 79 -5.039 -1.717 7.698 660 HD23 LEU 79 HD23 LEU 79 -3.375 -1.294 7.295 661 H LYS 80 H LYS 80 -8.490 1.185 7.365 662 HA LYS 80 HA LYS 80 -7.462 1.479 9.988 663 HB2 LYS 80 HB2 LYS 80 -9.436 2.880 8.320 664 HB3 LYS 80 HB3 LYS 80 -9.738 2.972 10.050 665 HG2 LYS 80 HG2 LYS 80 -7.214 3.798 8.631 666 HG3 LYS 80 HG3 LYS 80 -8.435 4.866 9.328 667 HD2 LYS 80 HD2 LYS 80 -6.677 2.925 10.832 668 HD3 LYS 80 HD3 LYS 80 -6.527 4.682 10.826 669 HE2 LYS 80 HE2 LYS 80 -8.806 4.815 11.828 670 HE3 LYS 80 HE3 LYS 80 -8.813 3.053 11.942 671 HZ1 LYS 80 HZ1 LYS 80 -6.962 4.930 13.316 672 HZ2 LYS 80 HZ2 LYS 80 -6.766 3.245 13.313 673 HZ3 LYS 80 HZ3 LYS 80 -8.137 3.934 14.038 674 H LEU 81 H LEU 81 -10.193 -0.218 8.694 675 HA LEU 81 HA LEU 81 -11.597 -0.413 11.166 676 HB2 LEU 81 HB2 LEU 81 -11.832 -2.086 8.667 677 HB3 LEU 81 HB3 LEU 81 -12.956 -2.113 10.013 678 HG LEU 81 HG LEU 81 -12.415 0.249 8.214 679 HD11 LEU 81 HD11 LEU 81 -14.687 -0.106 7.428 680 HD12 LEU 81 HD12 LEU 81 -14.829 -1.532 8.457 681 HD13 LEU 81 HD13 LEU 81 -13.680 -1.519 7.120 682 HD21 LEU 81 HD21 LEU 81 -14.280 1.308 9.399 683 HD22 LEU 81 HD22 LEU 81 -12.925 0.969 10.476 684 HD23 LEU 81 HD23 LEU 81 -14.353 -0.065 10.501 685 H LEU 82 H LEU 82 -9.278 -2.496 9.477 686 HA LEU 82 HA LEU 82 -9.512 -4.515 11.530 687 HB2 LEU 82 HB2 LEU 82 -7.632 -5.612 10.300 688 HB3 LEU 82 HB3 LEU 82 -9.103 -5.364 9.382 689 HG LEU 82 HG LEU 82 -7.690 -3.121 8.748 690 HD11 LEU 82 HD11 LEU 82 -5.714 -5.374 9.044 691 HD12 LEU 82 HD12 LEU 82 -5.684 -3.817 9.874 692 HD13 LEU 82 HD13 LEU 82 -5.432 -3.893 8.129 693 HD21 LEU 82 HD21 LEU 82 -7.205 -4.322 6.629 694 HD22 LEU 82 HD22 LEU 82 -8.877 -4.443 7.170 695 HD23 LEU 82 HD23 LEU 82 -7.777 -5.805 7.394 696 H GLU 83 H GLU 83 -7.474 -1.772 10.897 697 HA GLU 83 HA GLU 83 -5.449 -2.466 12.798 698 HB2 GLU 83 HB2 GLU 83 -6.269 0.159 11.554 699 HB3 GLU 83 HB3 GLU 83 -4.945 0.021 12.700 700 HG2 GLU 83 HG2 GLU 83 -5.084 -1.475 10.097 701 HG3 GLU 83 HG3 GLU 83 -4.260 0.067 10.315 702 H ASP 84 H ASP 84 -8.337 -0.425 12.869 703 HA ASP 84 HA ASP 84 -7.953 0.292 15.645 704 HB2 ASP 84 HB2 ASP 84 -9.166 1.548 13.580 705 HB3 ASP 84 HB3 ASP 84 -10.560 0.770 14.313 706 H LYS 85 H LYS 85 -9.324 -2.237 13.915 707 HA LYS 85 HA LYS 85 -10.629 -4.013 14.390 708 HB2 LYS 85 HB2 LYS 85 -10.183 -3.221 17.276 709 HB3 LYS 85 HB3 LYS 85 -10.784 -4.776 16.714 710 HG2 LYS 85 HG2 LYS 85 -8.080 -3.636 16.039 711 HG3 LYS 85 HG3 LYS 85 -8.389 -4.813 17.321 712 HD2 LYS 85 HD2 LYS 85 -9.363 -5.457 14.589 713 HD3 LYS 85 HD3 LYS 85 -7.625 -5.527 14.867 714 HE2 LYS 85 HE2 LYS 85 -8.619 -7.711 15.197 715 HE3 LYS 85 HE3 LYS 85 -7.995 -7.090 16.721 716 HZ1 LYS 85 HZ1 LYS 85 -10.221 -8.184 16.825 717 HZ2 LYS 85 HZ2 LYS 85 -10.853 -6.878 15.946 718 HZ3 LYS 85 HZ3 LYS 85 -10.166 -6.620 17.474 719 H SER 86 H SER 86 -12.059 -2.249 13.411 720 HA SER 86 HA SER 86 -14.289 -1.586 15.203 721 HB2 SER 86 HB2 SER 86 -13.724 -0.579 12.404 722 HB3 SER 86 HB3 SER 86 -14.924 0.053 13.534 723 HG SER 86 HG SER 86 -12.393 -0.047 14.581 724 H ASN 87 H ASN 87 -16.415 -2.164 14.675 725 HA ASN 87 HA ASN 87 -16.571 -4.822 13.683 726 HB2 ASN 87 HB2 ASN 87 -18.881 -4.773 14.295 727 HB3 ASN 87 HB3 ASN 87 -17.987 -3.897 15.531 728 HD21 ASN 87 HD21 ASN 87 -20.812 -3.821 14.576 729 HD22 ASN 87 HD22 ASN 87 -21.131 -2.155 14.231 730 H LEU 88 H LEU 88 -16.709 -1.897 12.034 731 HA LEU 88 HA LEU 88 -18.843 -2.203 10.285 732 HB2 LEU 88 HB2 LEU 88 -16.200 -0.829 9.852 733 HB3 LEU 88 HB3 LEU 88 -17.531 -0.737 8.717 734 HG LEU 88 HG LEU 88 -17.702 1.239 9.928 735 HD11 LEU 88 HD11 LEU 88 -19.522 -0.698 11.349 736 HD12 LEU 88 HD12 LEU 88 -19.841 0.078 9.796 737 HD13 LEU 88 HD13 LEU 88 -19.731 1.053 11.263 738 HD21 LEU 88 HD21 LEU 88 -17.552 1.402 12.363 739 HD22 LEU 88 HD22 LEU 88 -16.077 0.736 11.662 740 HD23 LEU 88 HD23 LEU 88 -17.234 -0.330 12.457 741 H LEU 89 H LEU 89 -15.567 -3.492 10.043 742 HA LEU 89 HA LEU 89 -16.418 -4.966 7.641 743 HB2 LEU 89 HB2 LEU 89 -14.439 -3.732 7.192 744 HB3 LEU 89 HB3 LEU 89 -13.684 -4.242 8.683 745 HG LEU 89 HG LEU 89 -13.746 -6.593 7.743 746 HD11 LEU 89 HD11 LEU 89 -15.385 -6.141 5.975 747 HD12 LEU 89 HD12 LEU 89 -13.898 -6.865 5.367 748 HD13 LEU 89 HD13 LEU 89 -14.189 -5.142 5.153 749 HD21 LEU 89 HD21 LEU 89 -11.699 -6.249 6.470 750 HD22 LEU 89 HD22 LEU 89 -11.719 -5.274 7.941 751 HD23 LEU 89 HD23 LEU 89 -12.048 -4.522 6.379 752 H LEU 90 H LEU 90 -15.541 -5.264 10.928 753 HA LEU 90 HA LEU 90 -14.773 -8.073 10.614 754 HB2 LEU 90 HB2 LEU 90 -14.345 -6.326 13.020 755 HB3 LEU 90 HB3 LEU 90 -13.514 -7.813 12.599 756 HG LEU 90 HG LEU 90 -13.294 -5.366 10.872 757 HD11 LEU 90 HD11 LEU 90 -11.643 -6.077 13.285 758 HD12 LEU 90 HD12 LEU 90 -12.641 -4.637 13.049 759 HD13 LEU 90 HD13 LEU 90 -11.191 -4.878 12.073 760 HD21 LEU 90 HD21 LEU 90 -11.190 -6.407 10.205 761 HD22 LEU 90 HD22 LEU 90 -12.560 -7.479 9.910 762 HD23 LEU 90 HD23 LEU 90 -11.505 -7.756 11.298 763 H TYR 91 H TYR 91 -17.639 -6.864 11.002 764 HA TYR 91 HA TYR 91 -18.428 -7.718 13.592 765 HB2 TYR 91 HB2 TYR 91 -20.712 -7.427 12.864 766 HB3 TYR 91 HB3 TYR 91 -19.745 -6.085 12.272 767 HD1 TYR 91 HD2 TYR 91 -21.239 -9.349 11.214 768 HD2 TYR 91 HD1 TYR 91 -19.759 -5.533 10.010 769 HE1 TYR 91 HE2 TYR 91 -22.080 -9.737 8.941 770 HE2 TYR 91 HE1 TYR 91 -20.594 -5.926 7.738 771 HH TYR 91 HH TYR 91 -22.815 -8.284 6.968 772 H SER 92 H SER 92 -19.876 -9.458 14.087 773 HA SER 92 HA SER 92 -18.985 -11.917 12.845 774 HB2 SER 92 HB2 SER 92 -19.278 -11.411 15.400 775 HB3 SER 92 HB3 SER 92 -20.975 -11.777 15.093 776 HG SER 92 HG SER 92 -18.710 -13.452 14.839 777 H CYS 93 H CYS 93 -20.330 -13.402 11.897 778 HA CYS 93 HA CYS 93 -23.091 -12.677 11.262 779 HB2 CYS 93 HB2 CYS 93 -22.738 -12.841 8.907 780 HB3 CYS 93 HB3 CYS 93 -21.512 -11.730 9.521 781 H ASN 94 H ASN 94 -23.925 -14.538 9.698 782 HA ASN 94 HA ASN 94 -22.929 -17.077 10.815 783 HB2 ASN 94 HB2 ASN 94 -25.286 -16.405 11.422 784 HB3 ASN 94 HB3 ASN 94 -25.696 -16.539 9.717 785 HD21 ASN 94 HD21 ASN 94 -25.449 -18.644 8.722 786 HD22 ASN 94 HD22 ASN 94 -25.654 -20.076 9.671 787 H CYS 95 H CYS 95 -21.323 -16.719 8.872 788 HA CYS 95 HA CYS 95 -22.520 -17.907 6.493 789 HB2 CYS 95 HB2 CYS 95 -19.738 -16.948 7.113 790 HB3 CYS 95 HB3 CYS 95 -20.096 -17.903 5.676 791 H LYS 96 H LYS 96 -21.708 -18.956 9.396 792 HA LYS 96 HA LYS 96 -21.483 -21.699 8.570 793 HB2 LYS 96 HB2 LYS 96 -19.491 -22.151 10.003 794 HB3 LYS 96 HB3 LYS 96 -19.121 -21.162 8.602 795 HG2 LYS 96 HG2 LYS 96 -19.158 -19.160 10.008 796 HG3 LYS 96 HG3 LYS 96 -19.506 -20.165 11.414 797 HD2 LYS 96 HD2 LYS 96 -17.040 -20.358 9.691 798 HD3 LYS 96 HD3 LYS 96 -17.132 -19.558 11.259 799 HE2 LYS 96 HE2 LYS 96 -17.890 -21.777 12.194 800 HE3 LYS 96 HE3 LYS 96 -17.429 -22.483 10.646 801 HZ1 LYS 96 HZ1 LYS 96 -15.616 -20.991 12.469 802 HZ2 LYS 96 HZ2 LYS 96 -15.172 -21.692 10.992 803 HZ3 LYS 96 HZ3 LYS 96 -15.658 -22.678 12.283 804 H PHE 97 H PHE 97 -21.340 -19.352 11.190 805 HA PHE 97 HA PHE 97 -23.755 -20.157 12.362 806 HB2 PHE 97 HB2 PHE 97 -23.023 -21.150 14.433 807 HB3 PHE 97 HB3 PHE 97 -22.239 -22.060 13.147 808 HD1 PHE 97 HD1 PHE 97 -21.711 -19.468 15.727 809 HD2 PHE 97 HD2 PHE 97 -19.876 -22.145 12.973 810 HE1 PHE 97 HE1 PHE 97 -19.529 -19.033 16.766 811 HE2 PHE 97 HE2 PHE 97 -17.688 -21.707 14.004 812 HZ PHE 97 HZ PHE 97 -17.509 -20.151 15.906 813 H SER 98 H SER 98 -23.962 -18.923 14.570 814 HA SER 98 HA SER 98 -21.918 -17.045 15.212 815 HB2 SER 98 HB2 SER 98 -23.274 -15.005 14.815 816 HB3 SER 98 HB3 SER 98 -22.795 -15.829 13.334 817 HG SER 98 HG SER 98 -24.992 -15.210 13.265 818 H LYS 99 H LYS 99 -22.999 -15.305 16.744 819 HA LYS 99 HA LYS 99 -24.262 -16.940 18.816 820 HB2 LYS 99 HB2 LYS 99 -22.693 -14.368 19.075 821 HB3 LYS 99 HB3 LYS 99 -23.175 -15.456 20.377 822 HG2 LYS 99 HG2 LYS 99 -21.562 -16.979 19.899 823 HG3 LYS 99 HG3 LYS 99 -21.565 -16.600 18.174 824 HD2 LYS 99 HD2 LYS 99 -20.480 -14.745 20.273 825 HD3 LYS 99 HD3 LYS 99 -19.502 -15.947 19.434 826 HE2 LYS 99 HE2 LYS 99 -21.106 -13.855 17.996 827 HE3 LYS 99 HE3 LYS 99 -19.434 -13.606 18.496 828 HZ1 LYS 99 HZ1 LYS 99 -18.820 -15.575 17.195 829 HZ2 LYS 99 HZ2 LYS 99 -19.497 -14.355 16.229 830 HZ3 LYS 99 HZ3 LYS 99 -20.416 -15.710 16.652 831 H LYS 100 H LYS 100 -26.015 -16.112 19.993 832 HA LYS 100 HA LYS 100 -27.424 -13.956 18.562 833 HB2 LYS 100 HB2 LYS 100 -29.522 -15.077 19.255 834 HB3 LYS 100 HB3 LYS 100 -28.527 -16.072 18.203 835 HG2 LYS 100 HG2 LYS 100 -27.873 -17.475 19.970 836 HG3 LYS 100 HG3 LYS 100 -28.460 -16.342 21.191 837 HD2 LYS 100 HD2 LYS 100 -30.265 -17.674 19.184 838 HD3 LYS 100 HD3 LYS 100 -29.910 -18.372 20.765 839 HE2 LYS 100 HE2 LYS 100 -31.003 -15.587 20.414 840 HE3 LYS 100 HE3 LYS 100 -32.039 -17.007 20.587 841 HZ1 LYS 100 HZ1 LYS 100 -31.827 -16.155 22.733 842 HZ2 LYS 100 HZ2 LYS 100 -30.170 -15.844 22.573 843 HZ3 LYS 100 HZ3 LYS 100 -30.723 -17.443 22.708 844 H LYS 101 H LYS 101 -29.501 -13.536 20.192 845 HA LYS 101 HA LYS 101 -28.250 -12.370 22.565 846 HB2 LYS 101 HB2 LYS 101 -30.889 -11.721 21.215 847 HB3 LYS 101 HB3 LYS 101 -30.246 -10.900 22.627 848 HG2 LYS 101 HG2 LYS 101 -29.815 -9.498 20.776 849 HG3 LYS 101 HG3 LYS 101 -28.272 -10.229 21.216 850 HD2 LYS 101 HD2 LYS 101 -28.730 -11.960 19.423 851 HD3 LYS 101 HD3 LYS 101 -30.070 -10.936 18.904 852 HE2 LYS 101 HE2 LYS 101 -27.255 -9.911 19.164 853 HE3 LYS 101 HE3 LYS 101 -27.862 -10.644 17.681 854 HZ1 LYS 101 HZ1 LYS 101 -29.186 -8.331 18.989 855 HZ2 LYS 101 HZ2 LYS 101 -29.441 -8.934 17.421 856 HZ3 LYS 101 HZ3 LYS 101 -27.984 -8.159 17.804 Start of MODEL 9 1 H MET 1 H MET 1 2.951 -0.076 1.149 2 HA MET 1 HA MET 1 3.829 -0.014 3.335 3 HB2 MET 1 HB2 MET 1 0.804 -0.161 3.387 4 HB3 MET 1 HB3 MET 1 1.804 0.609 4.611 5 HG2 MET 1 HG2 MET 1 2.583 2.234 2.989 6 HG3 MET 1 HG3 MET 1 1.654 1.437 1.721 7 HE1 MET 1 HE1 MET 1 -0.280 4.798 2.226 8 HE2 MET 1 HE2 MET 1 0.561 3.751 1.081 9 HE3 MET 1 HE3 MET 1 1.463 4.562 2.361 10 H LYS 2 H LYS 2 1.068 -2.285 3.393 11 HA LYS 2 HA LYS 2 2.686 -4.038 5.125 12 HB2 LYS 2 HB2 LYS 2 -0.258 -3.432 5.456 13 HB3 LYS 2 HB3 LYS 2 0.636 -4.632 6.376 14 HG2 LYS 2 HG2 LYS 2 2.117 -2.726 7.152 15 HG3 LYS 2 HG3 LYS 2 0.905 -1.643 6.464 16 HD2 LYS 2 HD2 LYS 2 -0.805 -2.670 7.900 17 HD3 LYS 2 HD3 LYS 2 0.426 -3.723 8.601 18 HE2 LYS 2 HE2 LYS 2 1.656 -1.610 9.261 19 HE3 LYS 2 HE3 LYS 2 0.197 -0.729 8.815 20 HZ1 LYS 2 HZ1 LYS 2 0.219 -1.177 11.169 21 HZ2 LYS 2 HZ2 LYS 2 0.405 -2.838 10.899 22 HZ3 LYS 2 HZ3 LYS 2 -1.037 -2.059 10.448 23 H GLY 3 H GLY 3 1.432 -3.771 2.203 24 HA2 GLY 3 HA2 GLY 3 1.398 -5.708 0.739 25 HA3 GLY 3 HA3 GLY 3 0.650 -6.612 2.053 26 H ASP 4 H ASP 4 -0.875 -7.057 0.153 27 HA ASP 4 HA ASP 4 -2.620 -4.878 -0.550 28 HB2 ASP 4 HB2 ASP 4 -2.477 -7.761 -1.293 29 HB3 ASP 4 HB3 ASP 4 -3.999 -6.905 -1.528 30 H ILE 5 H ILE 5 -4.504 -4.356 0.234 31 HA ILE 5 HA ILE 5 -5.197 -5.104 2.858 32 HB ILE 5 HB ILE 5 -5.745 -2.988 1.226 33 HG12 ILE 5 HG12 ILE 5 -5.668 -2.939 3.655 34 HG13 ILE 5 HG13 ILE 5 -7.104 -2.115 3.062 35 HG21 ILE 5 HG21 ILE 5 -8.303 -4.556 1.445 36 HG22 ILE 5 HG22 ILE 5 -7.486 -4.021 -0.026 37 HG23 ILE 5 HG23 ILE 5 -8.222 -2.839 1.054 38 HD11 ILE 5 HD11 ILE 5 -6.985 -4.877 4.244 39 HD12 ILE 5 HD12 ILE 5 -8.435 -4.104 3.602 40 HD13 ILE 5 HD13 ILE 5 -7.622 -3.422 5.011 41 H GLU 6 H GLU 6 -6.128 -6.250 -0.255 42 HA GLU 6 HA GLU 6 -8.575 -7.477 0.378 43 HB2 GLU 6 HB2 GLU 6 -6.561 -8.297 -1.726 44 HB3 GLU 6 HB3 GLU 6 -8.246 -8.795 -1.666 45 HG2 GLU 6 HG2 GLU 6 -8.341 -7.109 -3.200 46 HG3 GLU 6 HG3 GLU 6 -8.709 -6.231 -1.715 47 H HIS 7 H HIS 7 -5.242 -8.613 0.567 48 HA HIS 7 HA HIS 7 -5.879 -11.261 1.313 49 HB2 HIS 7 HB2 HIS 7 -3.421 -9.594 1.869 50 HB3 HIS 7 HB3 HIS 7 -3.555 -11.303 2.268 51 HD1 HIS 7 HD1 HIS 7 -3.321 -12.992 0.317 52 HD2 HIS 7 HD2 HIS 7 -3.203 -9.006 -0.855 53 HE1 HIS 7 HE1 HIS 7 -2.532 -12.979 -2.085 54 H LYS 8 H LYS 8 -5.347 -8.292 3.115 55 HA LYS 8 HA LYS 8 -5.318 -9.378 5.710 56 HB2 LYS 8 HB2 LYS 8 -6.464 -6.673 5.058 57 HB3 LYS 8 HB3 LYS 8 -5.607 -7.170 6.509 58 HG2 LYS 8 HG2 LYS 8 -4.438 -6.772 3.769 59 HG3 LYS 8 HG3 LYS 8 -4.211 -5.741 5.182 60 HD2 LYS 8 HD2 LYS 8 -3.106 -7.590 6.342 61 HD3 LYS 8 HD3 LYS 8 -3.331 -8.609 4.916 62 HE2 LYS 8 HE2 LYS 8 -1.933 -7.161 3.600 63 HE3 LYS 8 HE3 LYS 8 -1.796 -6.019 4.940 64 HZ1 LYS 8 HZ1 LYS 8 -0.688 -7.761 6.231 65 HZ2 LYS 8 HZ2 LYS 8 0.166 -7.379 4.818 66 HZ3 LYS 8 HZ3 LYS 8 -0.757 -8.801 4.892 67 H VAL 9 H VAL 9 -7.993 -7.982 3.835 68 HA VAL 9 HA VAL 9 -9.918 -8.303 5.865 69 HB VAL 9 HB VAL 9 -10.225 -6.751 4.023 70 HG11 VAL 9 HG11 VAL 9 -10.566 -9.198 2.311 71 HG12 VAL 9 HG12 VAL 9 -9.293 -7.983 2.187 72 HG13 VAL 9 HG13 VAL 9 -10.962 -7.552 1.814 73 HG21 VAL 9 HG21 VAL 9 -12.175 -7.548 5.268 74 HG22 VAL 9 HG22 VAL 9 -12.393 -8.838 4.087 75 HG23 VAL 9 HG23 VAL 9 -12.577 -7.154 3.597 76 H TYR 10 H TYR 10 -8.832 -10.438 3.285 77 HA TYR 10 HA TYR 10 -10.864 -12.386 3.643 78 HB2 TYR 10 HB2 TYR 10 -8.038 -12.728 2.615 79 HB3 TYR 10 HB3 TYR 10 -9.296 -13.948 2.520 80 HD1 TYR 10 HD2 TYR 10 -11.283 -11.355 1.915 81 HD2 TYR 10 HD1 TYR 10 -7.877 -13.169 0.124 82 HE1 TYR 10 HE2 TYR 10 -11.972 -10.480 -0.274 83 HE2 TYR 10 HE1 TYR 10 -8.559 -12.296 -2.066 84 HH TYR 10 HH TYR 10 -10.634 -11.575 -3.182 85 H GLN 11 H GLN 11 -7.792 -11.716 5.155 86 HA GLN 11 HA GLN 11 -7.240 -14.194 6.301 87 HB2 GLN 11 HB2 GLN 11 -6.489 -11.421 7.183 88 HB3 GLN 11 HB3 GLN 11 -5.913 -12.863 8.006 89 HG2 GLN 11 HG2 GLN 11 -5.388 -12.068 5.156 90 HG3 GLN 11 HG3 GLN 11 -4.236 -12.089 6.488 91 HE21 GLN 11 HE21 GLN 11 -5.992 -13.983 4.186 92 HE22 GLN 11 HE22 GLN 11 -5.121 -15.461 4.424 93 H LEU 12 H LEU 12 -8.925 -11.438 7.740 94 HA LEU 12 HA LEU 12 -9.366 -12.977 10.154 95 HB2 LEU 12 HB2 LEU 12 -10.658 -10.662 10.640 96 HB3 LEU 12 HB3 LEU 12 -8.966 -10.946 10.961 97 HG LEU 12 HG LEU 12 -8.537 -9.983 8.617 98 HD11 LEU 12 HD11 LEU 12 -10.211 -8.391 7.834 99 HD12 LEU 12 HD12 LEU 12 -11.321 -8.937 9.091 100 HD13 LEU 12 HD13 LEU 12 -10.829 -10.043 7.807 101 HD21 LEU 12 HD21 LEU 12 -8.512 -7.717 9.495 102 HD22 LEU 12 HD22 LEU 12 -7.965 -8.866 10.716 103 HD23 LEU 12 HD23 LEU 12 -9.594 -8.197 10.802 104 H LEU 13 H LEU 13 -11.276 -11.646 7.516 105 HA LEU 13 HA LEU 13 -13.784 -12.113 8.692 106 HB2 LEU 13 HB2 LEU 13 -12.940 -11.847 5.833 107 HB3 LEU 13 HB3 LEU 13 -14.610 -12.123 6.291 108 HG LEU 13 HG LEU 13 -12.902 -9.727 6.910 109 HD11 LEU 13 HD11 LEU 13 -14.706 -8.551 5.766 110 HD12 LEU 13 HD12 LEU 13 -15.552 -10.080 5.524 111 HD13 LEU 13 HD13 LEU 13 -14.000 -9.798 4.736 112 HD21 LEU 13 HD21 LEU 13 -14.070 -10.307 8.943 113 HD22 LEU 13 HD22 LEU 13 -15.581 -10.490 8.055 114 HD23 LEU 13 HD23 LEU 13 -14.835 -8.897 8.208 115 H LYS 14 H LYS 14 -11.847 -14.153 6.540 116 HA LYS 14 HA LYS 14 -13.701 -16.271 6.399 117 HB2 LYS 14 HB2 LYS 14 -11.932 -17.629 5.567 118 HB3 LYS 14 HB3 LYS 14 -11.637 -16.002 4.967 119 HG2 LYS 14 HG2 LYS 14 -9.919 -15.651 6.596 120 HG3 LYS 14 HG3 LYS 14 -10.287 -17.186 7.377 121 HD2 LYS 14 HD2 LYS 14 -9.607 -18.381 5.354 122 HD3 LYS 14 HD3 LYS 14 -9.249 -16.841 4.568 123 HE2 LYS 14 HE2 LYS 14 -7.533 -16.372 6.212 124 HE3 LYS 14 HE3 LYS 14 -7.925 -17.857 7.078 125 HZ1 LYS 14 HZ1 LYS 14 -5.969 -18.113 5.674 126 HZ2 LYS 14 HZ2 LYS 14 -6.879 -17.712 4.298 127 HZ3 LYS 14 HZ3 LYS 14 -7.220 -19.132 5.159 128 H ASP 15 H ASP 15 -11.358 -15.351 8.808 129 HA ASP 15 HA ASP 15 -11.406 -17.753 10.337 130 HB2 ASP 15 HB2 ASP 15 -9.587 -16.111 10.510 131 HB3 ASP 15 HB3 ASP 15 -10.708 -14.925 11.157 132 H GLN 16 H GLN 16 -13.179 -14.732 10.422 133 HA GLN 16 HA GLN 16 -14.646 -15.242 12.799 134 HB2 GLN 16 HB2 GLN 16 -15.629 -13.530 10.522 135 HB3 GLN 16 HB3 GLN 16 -15.991 -13.372 12.234 136 HG2 GLN 16 HG2 GLN 16 -13.279 -13.129 12.146 137 HG3 GLN 16 HG3 GLN 16 -13.794 -12.351 10.655 138 HE21 GLN 16 HE21 GLN 16 -13.386 -10.310 11.241 139 HE22 GLN 16 HE22 GLN 16 -14.240 -9.459 12.479 140 H GLY 17 H GLY 17 -14.783 -16.697 9.819 141 HA2 GLY 17 HA2 GLY 17 -16.192 -18.504 9.307 142 HA3 GLY 17 HA3 GLY 17 -17.362 -17.896 10.469 143 H CYS 18 H CYS 18 -15.785 -15.997 7.955 144 HA CYS 18 HA CYS 18 -18.395 -15.875 6.573 145 HB2 CYS 18 HB2 CYS 18 -17.342 -13.762 7.734 146 HB3 CYS 18 HB3 CYS 18 -16.340 -13.716 6.286 147 H GLU 19 H GLU 19 -18.456 -16.254 4.403 148 HA GLU 19 HA GLU 19 -15.873 -16.236 2.949 149 HB2 GLU 19 HB2 GLU 19 -16.602 -18.001 1.539 150 HB3 GLU 19 HB3 GLU 19 -16.981 -18.522 3.175 151 HG2 GLU 19 HG2 GLU 19 -18.956 -17.289 1.265 152 HG3 GLU 19 HG3 GLU 19 -18.764 -19.014 1.538 153 H ASP 20 H ASP 20 -18.431 -14.482 3.523 154 HA ASP 20 HA ASP 20 -19.259 -13.956 0.778 155 HB2 ASP 20 HB2 ASP 20 -20.956 -14.576 2.569 156 HB3 ASP 20 HB3 ASP 20 -20.615 -13.015 3.306 157 H PHE 21 H PHE 21 -17.425 -12.686 0.298 158 HA PHE 21 HA PHE 21 -17.805 -9.912 0.649 159 HB2 PHE 21 HB2 PHE 21 -15.567 -9.492 1.828 160 HB3 PHE 21 HB3 PHE 21 -16.908 -10.030 2.827 161 HD1 PHE 21 HD1 PHE 21 -13.676 -10.990 1.362 162 HD2 PHE 21 HD2 PHE 21 -16.862 -12.159 3.925 163 HE1 PHE 21 HE1 PHE 21 -12.282 -12.801 2.272 164 HE2 PHE 21 HE2 PHE 21 -15.478 -13.969 4.834 165 HZ PHE 21 HZ PHE 21 -13.177 -14.291 4.019 166 H GLY 22 H GLY 22 -16.438 -8.666 -0.646 167 HA2 GLY 22 HA2 GLY 22 -14.164 -9.661 -2.000 168 HA3 GLY 22 HA3 GLY 22 -15.585 -9.860 -3.019 169 H THR 23 H THR 23 -14.265 -8.337 -4.388 170 HA THR 23 HA THR 23 -14.831 -5.555 -3.577 171 HB THR 23 HB THR 23 -12.866 -4.919 -5.046 172 HG1 THR 23 HG1 THR 23 -11.672 -7.388 -4.656 173 HG21 THR 23 HG21 THR 23 -12.725 -4.869 -2.602 174 HG22 THR 23 HG22 THR 23 -11.192 -5.367 -3.318 175 HG23 THR 23 HG23 THR 23 -12.258 -6.570 -2.591 176 H LYS 24 H LYS 24 -15.659 -4.180 -5.145 177 HA LYS 24 HA LYS 24 -16.218 -5.420 -7.757 178 HB2 LYS 24 HB2 LYS 24 -18.080 -4.001 -8.051 179 HB3 LYS 24 HB3 LYS 24 -18.185 -4.513 -6.374 180 HG2 LYS 24 HG2 LYS 24 -17.595 -2.425 -5.566 181 HG3 LYS 24 HG3 LYS 24 -16.846 -1.937 -7.087 182 HD2 LYS 24 HD2 LYS 24 -19.134 -1.990 -8.120 183 HD3 LYS 24 HD3 LYS 24 -19.790 -2.236 -6.502 184 HE2 LYS 24 HE2 LYS 24 -18.862 -0.134 -5.761 185 HE3 LYS 24 HE3 LYS 24 -18.072 0.106 -7.317 186 HZ1 LYS 24 HZ1 LYS 24 -20.432 0.005 -8.265 187 HZ2 LYS 24 HZ2 LYS 24 -19.976 1.410 -7.437 188 HZ3 LYS 24 HZ3 LYS 24 -20.954 0.254 -6.671 189 H CYS 25 H CYS 25 -15.452 -4.483 -9.586 190 HA CYS 25 HA CYS 25 -14.112 -1.893 -9.322 191 HB2 CYS 25 HB2 CYS 25 -12.355 -2.799 -10.934 192 HB3 CYS 25 HB3 CYS 25 -12.279 -3.387 -9.278 193 HG CYS 25 HG CYS 25 -12.528 -5.087 -12.073 194 H VAL 26 H VAL 26 -16.051 -1.088 -10.209 195 HA VAL 26 HA VAL 26 -16.433 -1.706 -13.064 196 HB VAL 26 HB VAL 26 -18.332 -2.495 -11.752 197 HG11 VAL 26 HG11 VAL 26 -18.112 -1.051 -9.811 198 HG12 VAL 26 HG12 VAL 26 -19.741 -0.943 -10.477 199 HG13 VAL 26 HG13 VAL 26 -18.580 0.350 -10.775 200 HG21 VAL 26 HG21 VAL 26 -20.143 -1.254 -12.861 201 HG22 VAL 26 HG22 VAL 26 -18.820 -1.640 -13.961 202 HG23 VAL 26 HG23 VAL 26 -18.986 -0.005 -13.321 203 H ILE 27 H ILE 27 -16.460 -0.007 -14.469 204 HA ILE 27 HA ILE 27 -15.793 2.597 -13.405 205 HB ILE 27 HB ILE 27 -16.210 1.659 -16.237 206 HG12 ILE 27 HG12 ILE 27 -13.748 2.593 -14.754 207 HG13 ILE 27 HG13 ILE 27 -14.132 0.914 -15.136 208 HG21 ILE 27 HG21 ILE 27 -15.363 4.383 -15.272 209 HG22 ILE 27 HG22 ILE 27 -16.946 3.991 -15.948 210 HG23 ILE 27 HG23 ILE 27 -15.498 3.863 -16.954 211 HD11 ILE 27 HD11 ILE 27 -13.632 3.106 -17.136 212 HD12 ILE 27 HD12 ILE 27 -13.992 1.419 -17.513 213 HD13 ILE 27 HD13 ILE 27 -12.495 1.836 -16.678 214 H GLU 28 H GLU 28 -17.148 4.169 -13.010 215 HA GLU 28 HA GLU 28 -19.907 3.924 -13.987 216 HB2 GLU 28 HB2 GLU 28 -18.959 5.008 -11.331 217 HB3 GLU 28 HB3 GLU 28 -20.633 4.963 -11.879 218 HG2 GLU 28 HG2 GLU 28 -20.457 2.490 -12.017 219 HG3 GLU 28 HG3 GLU 28 -18.848 2.607 -11.309 220 H GLU 29 H GLU 29 -20.034 5.333 -15.570 221 HA GLU 29 HA GLU 29 -18.546 7.798 -15.569 222 HB2 GLU 29 HB2 GLU 29 -19.627 8.204 -17.751 223 HB3 GLU 29 HB3 GLU 29 -18.869 6.625 -17.673 224 HG2 GLU 29 HG2 GLU 29 -21.807 7.036 -17.205 225 HG3 GLU 29 HG3 GLU 29 -21.120 6.742 -18.800 226 H VAL 30 H VAL 30 -19.284 9.815 -15.113 227 HA VAL 30 HA VAL 30 -21.739 9.820 -13.553 228 HB VAL 30 HB VAL 30 -19.631 11.977 -13.756 229 HG11 VAL 30 HG11 VAL 30 -21.876 11.598 -11.777 230 HG12 VAL 30 HG12 VAL 30 -21.778 12.850 -13.017 231 HG13 VAL 30 HG13 VAL 30 -20.620 12.833 -11.686 232 HG21 VAL 30 HG21 VAL 30 -18.717 9.913 -12.847 233 HG22 VAL 30 HG22 VAL 30 -20.027 9.841 -11.668 234 HG23 VAL 30 HG23 VAL 30 -18.846 11.149 -11.597 235 H LYS 31 H LYS 31 -20.582 12.770 -15.042 236 HA LYS 31 HA LYS 31 -22.845 12.821 -16.874 237 HB2 LYS 31 HB2 LYS 31 -22.528 14.779 -14.592 238 HB3 LYS 31 HB3 LYS 31 -23.605 15.028 -15.957 239 HG2 LYS 31 HG2 LYS 31 -23.775 12.718 -14.039 240 HG3 LYS 31 HG3 LYS 31 -24.740 14.192 -13.936 241 HD2 LYS 31 HD2 LYS 31 -24.707 12.450 -16.388 242 HD3 LYS 31 HD3 LYS 31 -25.828 12.182 -15.053 243 HE2 LYS 31 HE2 LYS 31 -25.572 14.743 -16.625 244 HE3 LYS 31 HE3 LYS 31 -26.817 13.520 -16.872 245 HZ1 LYS 31 HZ1 LYS 31 -27.504 13.882 -14.545 246 HZ2 LYS 31 HZ2 LYS 31 -27.690 15.261 -15.513 247 HZ3 LYS 31 HZ3 LYS 31 -26.389 15.156 -14.432 248 H SER 32 H SER 32 -22.602 14.176 -18.559 249 HA SER 32 HA SER 32 -20.706 16.337 -18.559 250 HB2 SER 32 HB2 SER 32 -20.289 13.968 -20.418 251 HB3 SER 32 HB3 SER 32 -19.421 15.500 -20.510 252 HG SER 32 HG SER 32 -19.277 14.504 -18.012 253 H SER 33 H SER 33 -20.636 16.764 -21.325 254 HA SER 33 HA SER 33 -23.338 17.449 -21.943 255 HB2 SER 33 HB2 SER 33 -20.883 17.447 -23.717 256 HB3 SER 33 HB3 SER 33 -22.410 18.268 -24.058 257 HG SER 33 HG SER 33 -22.019 19.389 -21.987 258 H HIS 34 H HIS 34 -24.793 15.986 -22.524 259 HA HIS 34 HA HIS 34 -23.930 13.417 -23.580 260 HB2 HIS 34 HB2 HIS 34 -26.610 14.449 -22.643 261 HB3 HIS 34 HB3 HIS 34 -26.396 12.855 -23.354 262 HD1 HIS 34 HD1 HIS 34 -27.328 12.071 -20.918 263 HD2 HIS 34 HD2 HIS 34 -23.512 13.716 -21.037 264 HE1 HIS 34 HE1 HIS 34 -26.202 11.418 -18.746 265 H LYS 35 H LYS 35 -24.603 16.311 -24.916 266 HA LYS 35 HA LYS 35 -26.149 15.434 -27.188 267 HB2 LYS 35 HB2 LYS 35 -24.686 17.998 -26.576 268 HB3 LYS 35 HB3 LYS 35 -25.547 17.721 -28.083 269 HG2 LYS 35 HG2 LYS 35 -27.625 17.375 -26.799 270 HG3 LYS 35 HG3 LYS 35 -26.740 17.757 -25.319 271 HD2 LYS 35 HD2 LYS 35 -27.951 19.709 -26.129 272 HD3 LYS 35 HD3 LYS 35 -26.208 19.974 -26.213 273 HE2 LYS 35 HE2 LYS 35 -27.222 20.807 -28.227 274 HE3 LYS 35 HE3 LYS 35 -26.279 19.371 -28.616 275 HZ1 LYS 35 HZ1 LYS 35 -28.371 18.085 -28.556 276 HZ2 LYS 35 HZ2 LYS 35 -28.374 19.286 -29.750 277 HZ3 LYS 35 HZ3 LYS 35 -29.230 19.526 -28.309 278 H THR 36 H THR 36 -23.260 14.464 -26.420 279 HA THR 36 HA THR 36 -21.973 15.009 -28.985 280 HB THR 36 HB THR 36 -20.567 15.299 -27.000 281 HG1 THR 36 HG1 THR 36 -19.202 13.160 -27.826 282 HG21 THR 36 HG21 THR 36 -20.987 12.350 -26.524 283 HG22 THR 36 HG22 THR 36 -21.643 13.657 -25.536 284 HG23 THR 36 HG23 THR 36 -19.898 13.406 -25.623 285 H LEU 37 H LEU 37 -22.130 13.636 -30.598 286 HA LEU 37 HA LEU 37 -22.889 10.853 -30.010 287 HB2 LEU 37 HB2 LEU 37 -23.391 12.530 -32.466 288 HB3 LEU 37 HB3 LEU 37 -23.646 10.799 -32.420 289 HG LEU 37 HG LEU 37 -25.770 11.744 -32.132 290 HD11 LEU 37 HD11 LEU 37 -25.391 9.935 -30.602 291 HD12 LEU 37 HD12 LEU 37 -26.412 11.148 -29.830 292 HD13 LEU 37 HD13 LEU 37 -24.704 11.037 -29.409 293 HD21 LEU 37 HD21 LEU 37 -24.592 13.587 -30.059 294 HD22 LEU 37 HD22 LEU 37 -26.299 13.480 -30.488 295 HD23 LEU 37 HD23 LEU 37 -25.125 14.035 -31.681 296 H LEU 38 H LEU 38 -20.965 9.853 -29.825 297 HA LEU 38 HA LEU 38 -19.093 10.176 -32.060 298 HB2 LEU 38 HB2 LEU 38 -17.201 9.915 -30.581 299 HB3 LEU 38 HB3 LEU 38 -18.157 11.309 -30.143 300 HG LEU 38 HG LEU 38 -18.004 8.680 -28.627 301 HD11 LEU 38 HD11 LEU 38 -17.032 11.436 -27.914 302 HD12 LEU 38 HD12 LEU 38 -16.019 10.127 -28.522 303 HD13 LEU 38 HD13 LEU 38 -16.840 9.955 -26.964 304 HD21 LEU 38 HD21 LEU 38 -20.214 9.574 -28.290 305 HD22 LEU 38 HD22 LEU 38 -19.567 11.187 -27.997 306 HD23 LEU 38 HD23 LEU 38 -19.245 9.880 -26.847 307 H ASN 39 H ASN 39 -20.525 8.015 -29.752 308 HA ASN 39 HA ASN 39 -20.604 5.809 -31.404 309 HB2 ASN 39 HB2 ASN 39 -18.182 5.673 -31.312 310 HB3 ASN 39 HB3 ASN 39 -18.195 5.790 -29.558 311 HD21 ASN 39 HD21 ASN 39 -20.436 3.864 -31.459 312 HD22 ASN 39 HD22 ASN 39 -19.869 2.324 -30.898 313 H THR 40 H THR 40 -19.375 5.473 -28.143 314 HA THR 40 HA THR 40 -22.110 5.177 -27.115 315 HB THR 40 HB THR 40 -20.962 4.276 -25.068 316 HG1 THR 40 HG1 THR 40 -18.834 4.232 -24.960 317 HG21 THR 40 HG21 THR 40 -20.292 2.855 -27.648 318 HG22 THR 40 HG22 THR 40 -21.813 2.734 -26.762 319 HG23 THR 40 HG23 THR 40 -20.323 2.116 -26.047 320 H GLU 41 H GLU 41 -21.224 5.947 -24.378 321 HA GLU 41 HA GLU 41 -21.033 8.813 -24.809 322 HB2 GLU 41 HB2 GLU 41 -21.244 9.022 -22.383 323 HB3 GLU 41 HB3 GLU 41 -22.528 8.031 -23.060 324 HG2 GLU 41 HG2 GLU 41 -20.065 6.762 -21.989 325 HG3 GLU 41 HG3 GLU 41 -21.329 7.313 -20.898 326 H LEU 42 H LEU 42 -18.903 8.165 -25.942 327 HA LEU 42 HA LEU 42 -16.699 7.583 -24.234 328 HB2 LEU 42 HB2 LEU 42 -16.756 8.424 -27.105 329 HB3 LEU 42 HB3 LEU 42 -15.302 7.970 -26.242 330 HG LEU 42 HG LEU 42 -17.655 6.144 -26.744 331 HD11 LEU 42 HD11 LEU 42 -14.944 6.271 -28.059 332 HD12 LEU 42 HD12 LEU 42 -16.482 6.709 -28.803 333 HD13 LEU 42 HD13 LEU 42 -16.173 5.036 -28.339 334 HD21 LEU 42 HD21 LEU 42 -14.917 5.614 -25.589 335 HD22 LEU 42 HD22 LEU 42 -16.131 4.389 -25.961 336 HD23 LEU 42 HD23 LEU 42 -16.443 5.587 -24.704 337 H HIS 43 H HIS 43 -14.912 8.896 -23.760 338 HA HIS 43 HA HIS 43 -13.907 10.769 -22.993 339 HB2 HIS 43 HB2 HIS 43 -15.365 11.913 -25.361 340 HB3 HIS 43 HB3 HIS 43 -14.370 12.925 -24.318 341 HD1 HIS 43 HD1 HIS 43 -14.117 10.995 -27.330 342 HD2 HIS 43 HD2 HIS 43 -11.623 11.738 -24.088 343 HE1 HIS 43 HE1 HIS 43 -11.769 10.471 -28.106 344 H LEU 44 H LEU 44 -16.729 10.005 -22.125 345 HA LEU 44 HA LEU 44 -17.643 12.530 -20.997 346 HB2 LEU 44 HB2 LEU 44 -19.212 10.753 -21.883 347 HB3 LEU 44 HB3 LEU 44 -18.713 9.736 -20.549 348 HG LEU 44 HG LEU 44 -19.857 12.434 -19.953 349 HD11 LEU 44 HD11 LEU 44 -21.390 11.458 -21.581 350 HD12 LEU 44 HD12 LEU 44 -22.104 11.490 -19.969 351 HD13 LEU 44 HD13 LEU 44 -21.471 9.979 -20.624 352 HD21 LEU 44 HD21 LEU 44 -20.060 9.755 -18.577 353 HD22 LEU 44 HD22 LEU 44 -20.681 11.291 -17.974 354 HD23 LEU 44 HD23 LEU 44 -18.942 11.047 -18.139 355 H THR 45 H THR 45 -17.515 13.008 -18.774 356 HA THR 45 HA THR 45 -15.213 12.140 -17.437 357 HB THR 45 HB THR 45 -17.643 13.329 -16.109 358 HG1 THR 45 HG1 THR 45 -17.175 15.169 -17.066 359 HG21 THR 45 HG21 THR 45 -15.934 12.547 -14.555 360 HG22 THR 45 HG22 THR 45 -15.980 14.310 -14.574 361 HG23 THR 45 HG23 THR 45 -14.700 13.452 -15.433 362 H LYS 46 H LYS 46 -14.882 10.127 -16.793 363 HA LYS 46 HA LYS 46 -17.095 8.692 -15.504 364 HB2 LYS 46 HB2 LYS 46 -16.709 6.857 -16.741 365 HB3 LYS 46 HB3 LYS 46 -15.838 7.941 -17.811 366 HG2 LYS 46 HG2 LYS 46 -14.533 6.435 -15.565 367 HG3 LYS 46 HG3 LYS 46 -14.669 5.811 -17.207 368 HD2 LYS 46 HD2 LYS 46 -13.236 7.459 -18.066 369 HD3 LYS 46 HD3 LYS 46 -13.410 8.476 -16.631 370 HE2 LYS 46 HE2 LYS 46 -12.182 6.921 -15.301 371 HE3 LYS 46 HE3 LYS 46 -12.140 5.748 -16.617 372 HZ1 LYS 46 HZ1 LYS 46 -10.041 6.988 -16.345 373 HZ2 LYS 46 HZ2 LYS 46 -10.860 8.428 -16.718 374 HZ3 LYS 46 HZ3 LYS 46 -10.734 7.203 -17.877 375 H TYR 47 H TYR 47 -16.577 7.267 -13.785 376 HA TYR 47 HA TYR 47 -13.956 7.739 -12.539 377 HB2 TYR 47 HB2 TYR 47 -16.687 7.750 -11.245 378 HB3 TYR 47 HB3 TYR 47 -15.209 7.532 -10.320 379 HD1 TYR 47 HD2 TYR 47 -16.711 9.901 -12.794 380 HD2 TYR 47 HD1 TYR 47 -14.230 9.394 -9.381 381 HE1 TYR 47 HE2 TYR 47 -16.478 12.340 -12.613 382 HE2 TYR 47 HE1 TYR 47 -13.987 11.831 -9.185 383 HH TYR 47 HH TYR 47 -14.177 13.808 -10.499 384 H TYR 48 H TYR 48 -13.105 6.003 -11.375 385 HA TYR 48 HA TYR 48 -14.245 3.416 -12.036 386 HB2 TYR 48 HB2 TYR 48 -11.648 4.320 -10.830 387 HB3 TYR 48 HB3 TYR 48 -12.163 2.644 -10.672 388 HD1 TYR 48 HD2 TYR 48 -11.720 5.263 -13.303 389 HD2 TYR 48 HD1 TYR 48 -11.564 1.143 -12.300 390 HE1 TYR 48 HE2 TYR 48 -10.794 4.768 -15.523 391 HE2 TYR 48 HE1 TYR 48 -10.644 0.626 -14.518 392 HH TYR 48 HH TYR 48 -9.654 3.160 -16.730 393 H GLY 49 H GLY 49 -15.675 2.511 -10.772 394 HA2 GLY 49 HA2 GLY 49 -16.063 3.535 -8.067 395 HA3 GLY 49 HA3 GLY 49 -17.157 2.479 -8.953 396 H PHE 50 H PHE 50 -14.162 2.619 -7.133 397 HA PHE 50 HA PHE 50 -14.093 -0.276 -6.879 398 HB2 PHE 50 HB2 PHE 50 -12.265 1.952 -6.128 399 HB3 PHE 50 HB3 PHE 50 -12.168 0.457 -5.201 400 HD1 PHE 50 HD2 PHE 50 -11.583 -1.654 -6.320 401 HD2 PHE 50 HD1 PHE 50 -11.449 2.083 -8.352 402 HE1 PHE 50 HE2 PHE 50 -10.186 -2.664 -8.072 403 HE2 PHE 50 HE1 PHE 50 -10.066 1.082 -10.101 404 HZ PHE 50 HZ PHE 50 -9.423 -1.292 -9.970 405 H SER 51 H SER 51 -14.973 -1.360 -5.270 406 HA SER 51 HA SER 51 -15.406 -0.095 -2.695 407 HB2 SER 51 HB2 SER 51 -17.768 -1.277 -4.166 408 HB3 SER 51 HB3 SER 51 -17.774 -0.408 -2.634 409 HG SER 51 HG SER 51 -16.642 1.195 -4.367 410 H PHE 52 H PHE 52 -15.568 -1.559 -1.029 411 HA PHE 52 HA PHE 52 -15.172 -4.362 -1.782 412 HB2 PHE 52 HB2 PHE 52 -13.521 -3.297 -0.199 413 HB3 PHE 52 HB3 PHE 52 -14.833 -3.155 0.969 414 HD1 PHE 52 HD2 PHE 52 -15.836 -5.157 1.974 415 HD2 PHE 52 HD1 PHE 52 -12.516 -5.415 -0.676 416 HE1 PHE 52 HE2 PHE 52 -15.444 -7.473 2.700 417 HE2 PHE 52 HE1 PHE 52 -12.124 -7.733 0.041 418 HZ PHE 52 HZ PHE 52 -13.586 -8.765 1.730 419 H PHE 53 H PHE 53 -16.731 -5.729 -1.612 420 HA PHE 53 HA PHE 53 -19.201 -4.954 -0.263 421 HB2 PHE 53 HB2 PHE 53 -18.498 -6.709 -2.539 422 HB3 PHE 53 HB3 PHE 53 -19.839 -7.241 -1.531 423 HD1 PHE 53 HD2 PHE 53 -18.654 -4.631 -3.831 424 HD2 PHE 53 HD1 PHE 53 -21.877 -6.057 -1.451 425 HE1 PHE 53 HE2 PHE 53 -20.185 -3.090 -4.988 426 HE2 PHE 53 HE1 PHE 53 -23.417 -4.513 -2.603 427 HZ PHE 53 HZ PHE 53 -22.566 -3.026 -4.372 428 H ARG 54 H ARG 54 -19.992 -6.015 1.434 429 HA ARG 54 HA ARG 54 -18.937 -8.645 2.138 430 HB2 ARG 54 HB2 ARG 54 -17.700 -6.638 3.323 431 HB3 ARG 54 HB3 ARG 54 -19.146 -6.593 4.318 432 HG2 ARG 54 HG2 ARG 54 -17.897 -9.239 3.986 433 HG3 ARG 54 HG3 ARG 54 -16.966 -8.048 4.894 434 HD2 ARG 54 HD2 ARG 54 -18.833 -7.709 6.403 435 HD3 ARG 54 HD3 ARG 54 -19.821 -8.835 5.473 436 HE ARG 54 HE ARG 54 -18.029 -10.523 6.120 437 HH11 ARG 54 1HH1 ARG 54 -18.786 -7.761 8.115 438 HH12 ARG 54 2HH1 ARG 54 -18.420 -8.564 9.606 439 HH21 ARG 54 1HH2 ARG 54 -17.512 -11.581 8.127 440 HH22 ARG 54 2HH2 ARG 54 -17.710 -10.716 9.615 441 H HIS 55 H HIS 55 -20.797 -9.768 2.056 442 HA HIS 55 HA HIS 55 -22.942 -10.426 2.378 443 HB2 HIS 55 HB2 HIS 55 -22.647 -8.484 4.621 444 HB3 HIS 55 HB3 HIS 55 -24.260 -9.061 4.211 445 HD1 HIS 55 HD1 HIS 55 -24.932 -11.171 5.343 446 HD2 HIS 55 HD2 HIS 55 -20.800 -10.759 5.068 447 HE1 HIS 55 HE1 HIS 55 -23.928 -13.145 6.579 448 H GLY 56 H GLY 56 -22.175 -8.226 0.544 449 HA2 GLY 56 HA2 GLY 56 -23.425 -7.175 -1.116 450 HA3 GLY 56 HA3 GLY 56 -24.877 -7.473 -0.171 451 H ASN 57 H ASN 57 -22.925 -6.233 2.041 452 HA ASN 57 HA ASN 57 -23.908 -3.520 1.660 453 HB2 ASN 57 HB2 ASN 57 -22.227 -4.546 3.954 454 HB3 ASN 57 HB3 ASN 57 -23.170 -3.064 3.903 455 HD21 ASN 57 HD21 ASN 57 -23.168 -6.418 4.444 456 HD22 ASN 57 HD22 ASN 57 -24.810 -6.577 4.975 457 H ILE 58 H ILE 58 -22.237 -1.801 2.403 458 HA ILE 58 HA ILE 58 -19.775 -2.298 0.865 459 HB ILE 58 HB ILE 58 -21.346 0.256 1.184 460 HG12 ILE 58 HG12 ILE 58 -22.032 -1.382 -0.561 461 HG13 ILE 58 HG13 ILE 58 -21.512 0.163 -1.228 462 HG21 ILE 58 HG21 ILE 58 -18.597 -0.106 -0.013 463 HG22 ILE 58 HG22 ILE 58 -18.982 0.778 1.464 464 HG23 ILE 58 HG23 ILE 58 -19.565 1.367 -0.093 465 HD11 ILE 58 HD11 ILE 58 -19.868 -2.351 -1.097 466 HD12 ILE 58 HD12 ILE 58 -19.348 -0.812 -1.781 467 HD13 ILE 58 HD13 ILE 58 -20.672 -1.708 -2.528 468 H VAL 59 H VAL 59 -18.178 -2.623 2.159 469 HA VAL 59 HA VAL 59 -18.013 -1.250 4.729 470 HB VAL 59 HB VAL 59 -16.230 -3.359 3.499 471 HG11 VAL 59 HG11 VAL 59 -14.931 -1.943 4.971 472 HG12 VAL 59 HG12 VAL 59 -15.213 -3.505 5.740 473 HG13 VAL 59 HG13 VAL 59 -16.149 -2.097 6.237 474 HG21 VAL 59 HG21 VAL 59 -17.178 -4.811 5.249 475 HG22 VAL 59 HG22 VAL 59 -18.403 -4.232 4.118 476 HG23 VAL 59 HG23 VAL 59 -18.265 -3.503 5.718 477 H ALA 60 H ALA 60 -16.382 -1.466 1.627 478 HA ALA 60 HA ALA 60 -14.888 0.977 2.325 479 HB1 ALA 60 1HB ALA 60 -13.018 0.194 0.963 480 HB2 ALA 60 HB2 ALA 60 -13.874 -1.315 0.640 481 HB3 ALA 60 HB3 ALA 60 -13.353 -0.930 2.282 482 H TYR 61 H TYR 61 -15.223 2.630 0.949 483 HA TYR 61 HA TYR 61 -15.934 1.952 -1.816 484 HB2 TYR 61 HB2 TYR 61 -17.872 2.797 -0.232 485 HB3 TYR 61 HB3 TYR 61 -17.158 4.373 -0.558 486 HD1 TYR 61 HD2 TYR 61 -16.850 5.015 -3.058 487 HD2 TYR 61 HD1 TYR 61 -19.382 1.860 -1.735 488 HE1 TYR 61 HE2 TYR 61 -18.073 5.105 -5.193 489 HE2 TYR 61 HE1 TYR 61 -20.608 1.943 -3.867 490 HH TYR 61 HH TYR 61 -21.050 3.579 -5.672 491 H GLY 62 H GLY 62 -14.758 2.975 -3.272 492 HA2 GLY 62 HA2 GLY 62 -13.524 5.546 -2.587 493 HA3 GLY 62 HA3 GLY 62 -12.499 4.236 -3.164 494 H LYS 63 H LYS 63 -14.614 6.754 -4.028 495 HA LYS 63 HA LYS 63 -14.782 5.795 -6.802 496 HB2 LYS 63 HB2 LYS 63 -16.888 6.507 -5.718 497 HB3 LYS 63 HB3 LYS 63 -16.204 8.107 -5.463 498 HG2 LYS 63 HG2 LYS 63 -17.292 8.561 -7.377 499 HG3 LYS 63 HG3 LYS 63 -15.839 7.885 -8.105 500 HD2 LYS 63 HD2 LYS 63 -17.762 6.895 -9.156 501 HD3 LYS 63 HD3 LYS 63 -16.956 5.672 -8.170 502 HE2 LYS 63 HE2 LYS 63 -18.597 5.864 -6.451 503 HE3 LYS 63 HE3 LYS 63 -19.306 7.291 -7.204 504 HZ1 LYS 63 HZ1 LYS 63 -20.008 5.920 -9.065 505 HZ2 LYS 63 HZ2 LYS 63 -20.643 5.326 -7.610 506 HZ3 LYS 63 HZ3 LYS 63 -19.333 4.540 -8.340 507 H SER 64 H SER 64 -13.307 6.535 -8.162 508 HA SER 64 HA SER 64 -12.467 9.302 -8.083 509 HB2 SER 64 HB2 SER 64 -10.458 7.069 -7.722 510 HB3 SER 64 HB3 SER 64 -10.049 8.750 -8.059 511 HG SER 64 HG SER 64 -11.751 8.529 -5.956 512 H ARG 65 H ARG 65 -11.489 10.002 -9.984 513 HA ARG 65 HA ARG 65 -12.236 8.666 -12.367 514 HB2 ARG 65 HB2 ARG 65 -11.855 11.160 -11.988 515 HB3 ARG 65 HB3 ARG 65 -10.136 10.819 -12.077 516 HG2 ARG 65 HG2 ARG 65 -10.423 9.982 -14.357 517 HG3 ARG 65 HG3 ARG 65 -12.148 10.349 -14.266 518 HD2 ARG 65 HD2 ARG 65 -11.467 12.726 -13.728 519 HD3 ARG 65 HD3 ARG 65 -9.832 12.263 -14.191 520 HE ARG 65 HE ARG 65 -10.920 11.623 -16.403 521 HH11 ARG 65 1HH1 ARG 65 -12.065 14.195 -14.319 522 HH12 ARG 65 2HH1 ARG 65 -12.774 15.111 -15.620 523 HH21 ARG 65 1HH2 ARG 65 -11.823 12.856 -18.139 524 HH22 ARG 65 2HH2 ARG 65 -12.637 14.353 -17.771 525 H LYS 66 H LYS 66 -9.420 8.688 -10.365 526 HA LYS 66 HA LYS 66 -7.797 7.206 -12.270 527 HB2 LYS 66 HB2 LYS 66 -6.762 8.996 -10.940 528 HB3 LYS 66 HB3 LYS 66 -7.218 8.166 -9.460 529 HG2 LYS 66 HG2 LYS 66 -5.764 6.290 -10.080 530 HG3 LYS 66 HG3 LYS 66 -5.283 7.165 -11.536 531 HD2 LYS 66 HD2 LYS 66 -4.876 8.115 -8.700 532 HD3 LYS 66 HD3 LYS 66 -3.634 7.399 -9.730 533 HE2 LYS 66 HE2 LYS 66 -3.872 9.237 -11.314 534 HE3 LYS 66 HE3 LYS 66 -5.148 9.941 -10.320 535 HZ1 LYS 66 HZ1 LYS 66 -3.545 10.220 -8.529 536 HZ2 LYS 66 HZ2 LYS 66 -3.041 11.032 -9.927 537 HZ3 LYS 66 HZ3 LYS 66 -2.317 9.560 -9.497 538 H VAL 67 H VAL 67 -7.719 5.062 -12.285 539 HA VAL 67 HA VAL 67 -9.324 3.413 -10.712 540 HB VAL 67 HB VAL 67 -8.511 2.716 -12.899 541 HG11 VAL 67 HG11 VAL 67 -6.301 3.711 -12.834 542 HG12 VAL 67 HG12 VAL 67 -6.219 2.004 -13.269 543 HG13 VAL 67 HG13 VAL 67 -5.790 2.518 -11.638 544 HG21 VAL 67 HG21 VAL 67 -7.746 0.938 -10.607 545 HG22 VAL 67 HG22 VAL 67 -7.595 0.421 -12.285 546 HG23 VAL 67 HG23 VAL 67 -9.173 0.865 -11.645 547 H ALA 68 H ALA 68 -5.871 4.131 -10.420 548 HA ALA 68 HA ALA 68 -5.388 2.430 -8.220 549 HB1 ALA 68 1HB ALA 68 -3.637 3.231 -9.746 550 HB2 ALA 68 HB2 ALA 68 -3.252 3.544 -8.054 551 HB3 ALA 68 HB3 ALA 68 -3.826 4.855 -9.085 552 H ASN 69 H ASN 69 -6.350 5.824 -8.445 553 HA ASN 69 HA ASN 69 -5.843 6.426 -5.701 554 HB2 ASN 69 HB2 ASN 69 -6.082 8.133 -7.566 555 HB3 ASN 69 HB3 ASN 69 -7.817 7.851 -7.494 556 HD21 ASN 69 HD21 ASN 69 -8.997 8.639 -5.752 557 HD22 ASN 69 HD22 ASN 69 -8.318 9.742 -4.602 558 H ALA 70 H ALA 70 -8.722 5.593 -7.549 559 HA ALA 70 HA ALA 70 -10.641 5.632 -5.534 560 HB1 ALA 70 1HB ALA 70 -10.441 3.714 -7.858 561 HB2 ALA 70 HB2 ALA 70 -11.069 5.362 -7.965 562 HB3 ALA 70 HB3 ALA 70 -11.912 4.157 -6.986 563 H LYS 71 H LYS 71 -8.580 3.053 -6.669 564 HA LYS 71 HA LYS 71 -9.421 0.978 -4.994 565 HB2 LYS 71 HB2 LYS 71 -7.917 1.128 -7.136 566 HB3 LYS 71 HB3 LYS 71 -6.617 1.288 -5.975 567 HG2 LYS 71 HG2 LYS 71 -6.960 -0.869 -5.137 568 HG3 LYS 71 HG3 LYS 71 -8.534 -1.010 -5.933 569 HD2 LYS 71 HD2 LYS 71 -6.728 -2.245 -7.122 570 HD3 LYS 71 HD3 LYS 71 -7.495 -0.993 -8.108 571 HE2 LYS 71 HE2 LYS 71 -5.672 0.511 -7.717 572 HE3 LYS 71 HE3 LYS 71 -4.907 -0.636 -6.613 573 HZ1 LYS 71 HZ1 LYS 71 -4.480 -2.124 -8.387 574 HZ2 LYS 71 HZ2 LYS 71 -3.992 -0.592 -8.935 575 HZ3 LYS 71 HZ3 LYS 71 -5.463 -1.255 -9.459 576 H TYR 72 H TYR 72 -6.913 3.437 -4.679 577 HA TYR 72 HA TYR 72 -5.667 2.562 -2.340 578 HB2 TYR 72 HB2 TYR 72 -4.595 4.275 -3.557 579 HB3 TYR 72 HB3 TYR 72 -6.046 5.268 -3.601 580 HD1 TYR 72 HD2 TYR 72 -3.361 4.028 -1.353 581 HD2 TYR 72 HD1 TYR 72 -6.461 6.884 -1.958 582 HE1 TYR 72 HE2 TYR 72 -2.570 5.295 0.603 583 HE2 TYR 72 HE1 TYR 72 -5.676 8.155 -0.005 584 HH TYR 72 HH TYR 72 -2.678 7.567 1.495 585 H ILE 73 H ILE 73 -8.381 4.782 -2.788 586 HA ILE 73 HA ILE 73 -8.758 5.526 -0.133 587 HB ILE 73 HB ILE 73 -10.790 5.284 -2.349 588 HG12 ILE 73 HG12 ILE 73 -9.479 7.791 -1.337 589 HG13 ILE 73 HG13 ILE 73 -8.703 6.794 -2.564 590 HG21 ILE 73 HG21 ILE 73 -11.927 5.347 -0.213 591 HG22 ILE 73 HG22 ILE 73 -12.116 6.900 -1.030 592 HG23 ILE 73 HG23 ILE 73 -10.961 6.734 0.293 593 HD11 ILE 73 HD11 ILE 73 -10.689 7.041 -3.974 594 HD12 ILE 73 HD12 ILE 73 -9.907 8.580 -3.610 595 HD13 ILE 73 HD13 ILE 73 -11.389 8.119 -2.766 596 H MET 74 H MET 74 -10.478 2.998 -1.988 597 HA MET 74 HA MET 74 -12.036 2.129 0.181 598 HB2 MET 74 HB2 MET 74 -12.509 0.119 -1.115 599 HB3 MET 74 HB3 MET 74 -12.593 1.545 -2.140 600 HG2 MET 74 HG2 MET 74 -10.645 1.012 -3.252 601 HG3 MET 74 HG3 MET 74 -10.093 -0.065 -1.970 602 HE1 MET 74 HE1 MET 74 -9.878 -2.348 -2.428 603 HE2 MET 74 HE2 MET 74 -9.435 -1.700 -4.014 604 HE3 MET 74 HE3 MET 74 -10.473 -3.126 -3.897 605 H LYS 75 H LYS 75 -8.834 1.082 -0.958 606 HA LYS 75 HA LYS 75 -8.497 -1.104 0.740 607 HB2 LYS 75 HB2 LYS 75 -6.558 0.843 -0.476 608 HB3 LYS 75 HB3 LYS 75 -6.000 -0.434 0.598 609 HG2 LYS 75 HG2 LYS 75 -6.683 -2.124 -0.878 610 HG3 LYS 75 HG3 LYS 75 -7.690 -1.016 -1.814 611 HD2 LYS 75 HD2 LYS 75 -5.729 0.121 -2.644 612 HD3 LYS 75 HD3 LYS 75 -4.683 -0.873 -1.627 613 HE2 LYS 75 HE2 LYS 75 -6.509 -2.052 -3.696 614 HE3 LYS 75 HE3 LYS 75 -4.878 -1.514 -4.086 615 HZ1 LYS 75 HZ1 LYS 75 -5.640 -3.648 -2.155 616 HZ2 LYS 75 HZ2 LYS 75 -4.059 -3.062 -2.362 617 HZ3 LYS 75 HZ3 LYS 75 -4.845 -3.843 -3.639 618 H GLN 76 H GLN 76 -7.762 2.326 1.321 619 HA GLN 76 HA GLN 76 -6.724 1.940 3.936 620 HB2 GLN 76 HB2 GLN 76 -7.829 4.392 2.559 621 HB3 GLN 76 HB3 GLN 76 -7.088 4.423 4.154 622 HG2 GLN 76 HG2 GLN 76 -5.738 3.536 1.615 623 HG3 GLN 76 HG3 GLN 76 -5.536 5.102 2.397 624 HE21 GLN 76 HE21 GLN 76 -3.570 3.037 1.794 625 HE22 GLN 76 HE22 GLN 76 -2.839 2.610 3.298 626 H ARG 77 H ARG 77 -9.938 1.929 2.754 627 HA ARG 77 HA ARG 77 -11.270 2.824 5.096 628 HB2 ARG 77 HB2 ARG 77 -12.253 0.860 3.019 629 HB3 ARG 77 HB3 ARG 77 -13.249 1.679 4.210 630 HG2 ARG 77 HG2 ARG 77 -11.714 3.025 1.999 631 HG3 ARG 77 HG3 ARG 77 -13.438 2.662 1.977 632 HD2 ARG 77 HD2 ARG 77 -13.634 4.071 4.065 633 HD3 ARG 77 HD3 ARG 77 -11.970 4.579 3.772 634 HE ARG 77 HE ARG 77 -13.384 4.991 1.415 635 HH11 ARG 77 1HH1 ARG 77 -13.362 6.211 4.696 636 HH12 ARG 77 2HH1 ARG 77 -14.026 7.760 4.256 637 HH21 ARG 77 1HH2 ARG 77 -14.256 7.020 0.834 638 HH22 ARG 77 2HH2 ARG 77 -14.510 8.222 2.056 639 H LEU 78 H LEU 78 -10.909 -0.522 3.839 640 HA LEU 78 HA LEU 78 -11.629 -1.656 6.360 641 HB2 LEU 78 HB2 LEU 78 -9.968 -3.315 4.567 642 HB3 LEU 78 HB3 LEU 78 -11.446 -3.713 5.423 643 HG LEU 78 HG LEU 78 -12.489 -2.091 3.577 644 HD11 LEU 78 HD11 LEU 78 -11.401 -2.435 1.425 645 HD12 LEU 78 HD12 LEU 78 -10.087 -3.307 2.214 646 HD13 LEU 78 HD13 LEU 78 -10.320 -1.590 2.533 647 HD21 LEU 78 HD21 LEU 78 -11.725 -4.966 3.105 648 HD22 LEU 78 HD22 LEU 78 -13.030 -4.089 2.306 649 HD23 LEU 78 HD23 LEU 78 -13.115 -4.411 4.038 650 H LEU 79 H LEU 79 -8.613 -0.747 4.870 651 HA LEU 79 HA LEU 79 -6.763 -2.129 6.382 652 HB2 LEU 79 HB2 LEU 79 -6.273 -0.645 4.453 653 HB3 LEU 79 HB3 LEU 79 -6.590 0.746 5.463 654 HG LEU 79 HG LEU 79 -4.149 0.079 4.984 655 HD11 LEU 79 HD11 LEU 79 -4.862 1.774 6.613 656 HD12 LEU 79 HD12 LEU 79 -3.414 0.901 7.117 657 HD13 LEU 79 HD13 LEU 79 -4.975 0.514 7.844 658 HD21 LEU 79 HD21 LEU 79 -3.192 -1.521 6.570 659 HD22 LEU 79 HD22 LEU 79 -4.347 -2.285 5.478 660 HD23 LEU 79 HD23 LEU 79 -4.814 -1.917 7.138 661 H LYS 80 H LYS 80 -8.268 0.993 7.122 662 HA LYS 80 HA LYS 80 -7.040 1.244 9.663 663 HB2 LYS 80 HB2 LYS 80 -9.026 2.710 8.094 664 HB3 LYS 80 HB3 LYS 80 -9.310 2.785 9.829 665 HG2 LYS 80 HG2 LYS 80 -6.719 3.488 8.467 666 HG3 LYS 80 HG3 LYS 80 -7.936 4.647 9.011 667 HD2 LYS 80 HD2 LYS 80 -6.434 2.702 10.767 668 HD3 LYS 80 HD3 LYS 80 -6.118 4.434 10.640 669 HE2 LYS 80 HE2 LYS 80 -8.730 3.220 11.545 670 HE3 LYS 80 HE3 LYS 80 -7.472 3.812 12.632 671 HZ1 LYS 80 HZ1 LYS 80 -7.780 6.008 11.882 672 HZ2 LYS 80 HZ2 LYS 80 -9.343 5.400 12.144 673 HZ3 LYS 80 HZ3 LYS 80 -8.734 5.526 10.567 674 H LEU 81 H LEU 81 -9.943 -0.313 8.541 675 HA LEU 81 HA LEU 81 -11.202 -0.541 11.056 676 HB2 LEU 81 HB2 LEU 81 -11.600 -1.616 8.341 677 HB3 LEU 81 HB3 LEU 81 -12.257 -2.589 9.642 678 HG LEU 81 HG LEU 81 -13.700 -0.850 10.346 679 HD11 LEU 81 HD11 LEU 81 -12.191 1.030 10.165 680 HD12 LEU 81 HD12 LEU 81 -13.722 1.372 9.360 681 HD13 LEU 81 HD13 LEU 81 -12.296 0.961 8.406 682 HD21 LEU 81 HD21 LEU 81 -15.023 -0.389 8.347 683 HD22 LEU 81 HD22 LEU 81 -14.479 -2.064 8.399 684 HD23 LEU 81 HD23 LEU 81 -13.671 -0.908 7.339 685 H LEU 82 H LEU 82 -8.854 -2.566 9.362 686 HA LEU 82 HA LEU 82 -9.094 -4.612 11.410 687 HB2 LEU 82 HB2 LEU 82 -7.183 -5.684 10.149 688 HB3 LEU 82 HB3 LEU 82 -8.710 -5.534 9.306 689 HG LEU 82 HG LEU 82 -7.416 -3.247 8.541 690 HD11 LEU 82 HD11 LEU 82 -5.193 -4.005 7.767 691 HD12 LEU 82 HD12 LEU 82 -5.375 -5.450 8.764 692 HD13 LEU 82 HD13 LEU 82 -5.315 -3.858 9.522 693 HD21 LEU 82 HD21 LEU 82 -8.674 -4.617 7.075 694 HD22 LEU 82 HD22 LEU 82 -7.542 -5.959 7.261 695 HD23 LEU 82 HD23 LEU 82 -7.040 -4.491 6.426 696 H GLU 83 H GLU 83 -7.157 -1.832 10.774 697 HA GLU 83 HA GLU 83 -5.036 -2.464 12.594 698 HB2 GLU 83 HB2 GLU 83 -6.033 0.164 11.474 699 HB3 GLU 83 HB3 GLU 83 -4.610 0.019 12.494 700 HG2 GLU 83 HG2 GLU 83 -4.872 -1.517 9.935 701 HG3 GLU 83 HG3 GLU 83 -4.280 0.142 9.968 702 H ASP 84 H ASP 84 -7.990 -0.536 12.776 703 HA ASP 84 HA ASP 84 -7.612 0.013 15.606 704 HB2 ASP 84 HB2 ASP 84 -8.408 1.818 14.187 705 HB3 ASP 84 HB3 ASP 84 -9.752 0.835 13.631 706 H LYS 85 H LYS 85 -9.094 -2.294 13.650 707 HA LYS 85 HA LYS 85 -10.355 -4.120 14.055 708 HB2 LYS 85 HB2 LYS 85 -9.912 -3.394 16.956 709 HB3 LYS 85 HB3 LYS 85 -10.618 -4.905 16.393 710 HG2 LYS 85 HG2 LYS 85 -7.850 -3.924 15.730 711 HG3 LYS 85 HG3 LYS 85 -8.243 -5.139 16.953 712 HD2 LYS 85 HD2 LYS 85 -8.836 -5.372 13.999 713 HD3 LYS 85 HD3 LYS 85 -7.485 -6.145 14.829 714 HE2 LYS 85 HE2 LYS 85 -10.393 -6.605 15.484 715 HE3 LYS 85 HE3 LYS 85 -9.424 -7.652 14.449 716 HZ1 LYS 85 HZ1 LYS 85 -9.593 -8.444 16.752 717 HZ2 LYS 85 HZ2 LYS 85 -8.796 -7.048 17.289 718 HZ3 LYS 85 HZ3 LYS 85 -7.989 -8.149 16.284 719 H SER 86 H SER 86 -11.567 -1.674 13.489 720 HA SER 86 HA SER 86 -13.843 -1.161 15.090 721 HB2 SER 86 HB2 SER 86 -13.645 -0.647 12.126 722 HB3 SER 86 HB3 SER 86 -14.511 0.290 13.342 723 HG SER 86 HG SER 86 -12.209 0.533 14.241 724 H ASN 87 H ASN 87 -15.879 -2.020 15.025 725 HA ASN 87 HA ASN 87 -16.137 -4.656 13.980 726 HB2 ASN 87 HB2 ASN 87 -18.393 -4.631 14.882 727 HB3 ASN 87 HB3 ASN 87 -17.282 -3.925 16.048 728 HD21 ASN 87 HD21 ASN 87 -20.234 -3.650 15.424 729 HD22 ASN 87 HD22 ASN 87 -20.484 -1.939 15.354 730 H LEU 88 H LEU 88 -16.389 -1.748 12.436 731 HA LEU 88 HA LEU 88 -18.717 -1.994 10.908 732 HB2 LEU 88 HB2 LEU 88 -16.124 -0.596 10.285 733 HB3 LEU 88 HB3 LEU 88 -17.544 -0.485 9.265 734 HG LEU 88 HG LEU 88 -17.644 1.459 10.535 735 HD11 LEU 88 HD11 LEU 88 -19.762 0.228 10.581 736 HD12 LEU 88 HD12 LEU 88 -19.540 1.224 12.018 737 HD13 LEU 88 HD13 LEU 88 -19.284 -0.520 12.108 738 HD21 LEU 88 HD21 LEU 88 -15.851 0.939 12.098 739 HD22 LEU 88 HD22 LEU 88 -16.917 -0.158 12.975 740 HD23 LEU 88 HD23 LEU 88 -17.262 1.572 12.947 741 H LEU 89 H LEU 89 -15.395 -3.110 10.177 742 HA LEU 89 HA LEU 89 -16.478 -4.589 7.890 743 HB2 LEU 89 HB2 LEU 89 -14.421 -3.560 7.383 744 HB3 LEU 89 HB3 LEU 89 -13.683 -4.075 8.882 745 HG LEU 89 HG LEU 89 -13.893 -6.450 8.007 746 HD11 LEU 89 HD11 LEU 89 -14.109 -6.778 5.649 747 HD12 LEU 89 HD12 LEU 89 -14.260 -5.046 5.377 748 HD13 LEU 89 HD13 LEU 89 -15.530 -5.916 6.237 749 HD21 LEU 89 HD21 LEU 89 -11.843 -6.253 6.721 750 HD22 LEU 89 HD22 LEU 89 -11.798 -5.204 8.137 751 HD23 LEU 89 HD23 LEU 89 -12.111 -4.520 6.541 752 H LEU 90 H LEU 90 -15.549 -5.041 11.149 753 HA LEU 90 HA LEU 90 -14.980 -7.884 10.748 754 HB2 LEU 90 HB2 LEU 90 -14.345 -6.181 13.141 755 HB3 LEU 90 HB3 LEU 90 -13.652 -7.736 12.714 756 HG LEU 90 HG LEU 90 -13.297 -5.318 10.962 757 HD11 LEU 90 HD11 LEU 90 -12.467 -4.679 13.107 758 HD12 LEU 90 HD12 LEU 90 -11.105 -5.033 12.043 759 HD13 LEU 90 HD13 LEU 90 -11.591 -6.203 13.272 760 HD21 LEU 90 HD21 LEU 90 -11.358 -6.536 10.166 761 HD22 LEU 90 HD22 LEU 90 -12.821 -7.505 9.979 762 HD23 LEU 90 HD23 LEU 90 -11.697 -7.847 11.296 763 H TYR 91 H TYR 91 -17.753 -6.588 11.218 764 HA TYR 91 HA TYR 91 -18.545 -7.469 13.790 765 HB2 TYR 91 HB2 TYR 91 -20.835 -7.155 13.050 766 HB3 TYR 91 HB3 TYR 91 -19.843 -5.803 12.530 767 HD1 TYR 91 HD2 TYR 91 -21.345 -8.995 11.329 768 HD2 TYR 91 HD1 TYR 91 -19.817 -5.152 10.300 769 HE1 TYR 91 HE2 TYR 91 -22.169 -9.287 9.040 770 HE2 TYR 91 HE1 TYR 91 -20.630 -5.438 8.002 771 HH TYR 91 HH TYR 91 -21.362 -7.022 6.491 772 H SER 92 H SER 92 -20.067 -9.208 14.242 773 HA SER 92 HA SER 92 -19.080 -11.641 13.010 774 HB2 SER 92 HB2 SER 92 -20.850 -11.277 15.439 775 HB3 SER 92 HB3 SER 92 -20.080 -12.779 14.927 776 HG SER 92 HG SER 92 -18.835 -10.400 15.854 777 H CYS 93 H CYS 93 -20.224 -12.971 11.799 778 HA CYS 93 HA CYS 93 -23.119 -12.537 11.465 779 HB2 CYS 93 HB2 CYS 93 -22.935 -12.841 9.128 780 HB3 CYS 93 HB3 CYS 93 -21.654 -11.705 9.551 781 H ASN 94 H ASN 94 -23.961 -14.600 10.119 782 HA ASN 94 HA ASN 94 -22.605 -16.971 11.212 783 HB2 ASN 94 HB2 ASN 94 -24.783 -16.402 12.373 784 HB3 ASN 94 HB3 ASN 94 -25.595 -16.752 10.848 785 HD21 ASN 94 HD21 ASN 94 -23.828 -18.069 13.529 786 HD22 ASN 94 HD22 ASN 94 -24.222 -19.730 13.228 787 H CYS 95 H CYS 95 -21.557 -16.717 9.009 788 HA CYS 95 HA CYS 95 -23.143 -17.672 6.805 789 HB2 CYS 95 HB2 CYS 95 -20.243 -17.059 7.170 790 HB3 CYS 95 HB3 CYS 95 -20.771 -18.002 5.778 791 H LYS 96 H LYS 96 -20.536 -19.012 8.794 792 HA LYS 96 HA LYS 96 -21.565 -21.699 8.175 793 HB2 LYS 96 HB2 LYS 96 -19.208 -22.469 8.716 794 HB3 LYS 96 HB3 LYS 96 -19.388 -21.545 7.232 795 HG2 LYS 96 HG2 LYS 96 -18.664 -19.520 8.509 796 HG3 LYS 96 HG3 LYS 96 -18.283 -20.591 9.857 797 HD2 LYS 96 HD2 LYS 96 -17.124 -20.911 7.094 798 HD3 LYS 96 HD3 LYS 96 -16.342 -19.990 8.376 799 HE2 LYS 96 HE2 LYS 96 -16.329 -22.003 9.783 800 HE3 LYS 96 HE3 LYS 96 -17.046 -22.917 8.453 801 HZ1 LYS 96 HZ1 LYS 96 -14.739 -23.310 8.364 802 HZ2 LYS 96 HZ2 LYS 96 -14.361 -21.671 8.572 803 HZ3 LYS 96 HZ3 LYS 96 -15.050 -22.201 7.115 804 H PHE 97 H PHE 97 -20.231 -19.547 10.585 805 HA PHE 97 HA PHE 97 -21.875 -20.704 12.639 806 HB2 PHE 97 HB2 PHE 97 -20.064 -21.242 14.189 807 HB3 PHE 97 HB3 PHE 97 -19.844 -22.169 12.709 808 HD1 PHE 97 HD1 PHE 97 -18.709 -19.141 14.498 809 HD2 PHE 97 HD2 PHE 97 -17.837 -22.020 11.493 810 HE1 PHE 97 HE1 PHE 97 -16.461 -18.225 14.307 811 HE2 PHE 97 HE2 PHE 97 -15.558 -21.113 11.289 812 HZ PHE 97 HZ PHE 97 -14.861 -19.215 12.693 813 H SER 98 H SER 98 -21.069 -19.454 14.839 814 HA SER 98 HA SER 98 -19.976 -16.832 14.137 815 HB2 SER 98 HB2 SER 98 -22.335 -17.142 15.973 816 HB3 SER 98 HB3 SER 98 -21.561 -15.645 15.446 817 HG SER 98 HG SER 98 -22.156 -16.369 13.252 818 H LYS 99 H LYS 99 -20.298 -15.758 16.766 819 HA LYS 99 HA LYS 99 -17.955 -17.137 17.857 820 HB2 LYS 99 HB2 LYS 99 -18.858 -14.362 18.559 821 HB3 LYS 99 HB3 LYS 99 -17.258 -15.063 18.718 822 HG2 LYS 99 HG2 LYS 99 -18.598 -14.454 16.118 823 HG3 LYS 99 HG3 LYS 99 -17.413 -13.424 16.925 824 HD2 LYS 99 HD2 LYS 99 -15.828 -15.361 16.867 825 HD3 LYS 99 HD3 LYS 99 -17.003 -16.199 15.842 826 HE2 LYS 99 HE2 LYS 99 -15.475 -15.172 14.384 827 HE3 LYS 99 HE3 LYS 99 -16.946 -14.199 14.351 828 HZ1 LYS 99 HZ1 LYS 99 -14.382 -13.583 15.704 829 HZ2 LYS 99 HZ2 LYS 99 -15.821 -12.774 16.090 830 HZ3 LYS 99 HZ3 LYS 99 -15.189 -12.669 14.521 831 H LYS 100 H LYS 100 -17.852 -17.814 19.925 832 HA LYS 100 HA LYS 100 -19.769 -16.665 21.811 833 HB2 LYS 100 HB2 LYS 100 -19.850 -18.664 23.128 834 HB3 LYS 100 HB3 LYS 100 -20.243 -19.096 21.471 835 HG2 LYS 100 HG2 LYS 100 -17.473 -19.383 22.569 836 HG3 LYS 100 HG3 LYS 100 -18.701 -20.635 22.763 837 HD2 LYS 100 HD2 LYS 100 -18.608 -21.244 20.596 838 HD3 LYS 100 HD3 LYS 100 -18.354 -19.588 20.033 839 HE2 LYS 100 HE2 LYS 100 -16.066 -19.655 20.578 840 HE3 LYS 100 HE3 LYS 100 -16.250 -21.157 21.485 841 HZ1 LYS 100 HZ1 LYS 100 -16.694 -22.337 19.454 842 HZ2 LYS 100 HZ2 LYS 100 -15.241 -21.481 19.279 843 HZ3 LYS 100 HZ3 LYS 100 -16.659 -20.903 18.551 844 H LYS 101 H LYS 101 -16.664 -17.172 20.794 845 HA LYS 101 HA LYS 101 -15.579 -15.987 23.249 846 HB2 LYS 101 HB2 LYS 101 -14.269 -18.028 21.440 847 HB3 LYS 101 HB3 LYS 101 -13.450 -17.184 22.746 848 HG2 LYS 101 HG2 LYS 101 -15.711 -19.152 22.980 849 HG3 LYS 101 HG3 LYS 101 -14.039 -19.367 23.504 850 HD2 LYS 101 HD2 LYS 101 -14.350 -17.498 25.098 851 HD3 LYS 101 HD3 LYS 101 -16.045 -17.413 24.617 852 HE2 LYS 101 HE2 LYS 101 -16.319 -19.767 25.344 853 HE3 LYS 101 HE3 LYS 101 -14.654 -19.744 25.927 854 HZ1 LYS 101 HZ1 LYS 101 -15.280 -17.893 27.402 855 HZ2 LYS 101 HZ2 LYS 101 -16.145 -19.311 27.736 856 HZ3 LYS 101 HZ3 LYS 101 -16.891 -18.047 26.893 Start of MODEL 10 1 H MET 1 H MET 1 4.248 0.190 6.553 2 HA MET 1 HA MET 1 5.215 -1.897 6.113 3 HB2 MET 1 HB2 MET 1 3.920 -3.962 6.116 4 HB3 MET 1 HB3 MET 1 3.867 -3.215 7.706 5 HG2 MET 1 HG2 MET 1 1.640 -2.420 7.327 6 HG3 MET 1 HG3 MET 1 1.688 -2.959 5.649 7 HE1 MET 1 HE1 MET 1 1.707 -4.106 9.410 8 HE2 MET 1 HE2 MET 1 3.139 -4.893 8.746 9 HE3 MET 1 HE3 MET 1 1.749 -5.861 9.240 10 H LYS 2 H LYS 2 4.721 -3.291 4.110 11 HA LYS 2 HA LYS 2 3.018 -1.752 2.257 12 HB2 LYS 2 HB2 LYS 2 5.512 -1.518 1.904 13 HB3 LYS 2 HB3 LYS 2 5.549 -3.233 1.522 14 HG2 LYS 2 HG2 LYS 2 5.511 -1.944 -0.510 15 HG3 LYS 2 HG3 LYS 2 3.994 -2.829 -0.342 16 HD2 LYS 2 HD2 LYS 2 3.582 -0.551 -1.107 17 HD3 LYS 2 HD3 LYS 2 2.904 -0.801 0.500 18 HE2 LYS 2 HE2 LYS 2 3.988 1.349 0.418 19 HE3 LYS 2 HE3 LYS 2 4.899 0.274 1.478 20 HZ1 LYS 2 HZ1 LYS 2 6.361 1.537 0.045 21 HZ2 LYS 2 HZ2 LYS 2 5.588 0.934 -1.338 22 HZ3 LYS 2 HZ3 LYS 2 6.462 -0.113 -0.330 23 H GLY 3 H GLY 3 1.738 -2.921 0.850 24 HA2 GLY 3 HA2 GLY 3 1.860 -5.544 0.091 25 HA3 GLY 3 HA3 GLY 3 1.067 -5.589 1.663 26 H ASP 4 H ASP 4 -0.841 -6.391 0.550 27 HA ASP 4 HA ASP 4 -2.332 -4.142 -0.631 28 HB2 ASP 4 HB2 ASP 4 -1.755 -5.793 -2.384 29 HB3 ASP 4 HB3 ASP 4 -2.628 -7.029 -1.474 30 H ILE 5 H ILE 5 -4.325 -3.795 0.031 31 HA ILE 5 HA ILE 5 -5.016 -4.707 2.604 32 HB ILE 5 HB ILE 5 -5.671 -2.555 1.054 33 HG12 ILE 5 HG12 ILE 5 -5.540 -2.585 3.481 34 HG13 ILE 5 HG13 ILE 5 -7.041 -1.835 2.959 35 HG21 ILE 5 HG21 ILE 5 -8.161 -4.241 1.308 36 HG22 ILE 5 HG22 ILE 5 -7.382 -3.702 -0.183 37 HG23 ILE 5 HG23 ILE 5 -8.139 -2.528 0.890 38 HD11 ILE 5 HD11 ILE 5 -7.348 -3.287 4.888 39 HD12 ILE 5 HD12 ILE 5 -6.757 -4.659 3.949 40 HD13 ILE 5 HD13 ILE 5 -8.259 -3.854 3.488 41 H GLU 6 H GLU 6 -5.911 -5.864 -0.570 42 HA GLU 6 HA GLU 6 -8.392 -7.008 0.303 43 HB2 GLU 6 HB2 GLU 6 -6.799 -7.352 -2.230 44 HB3 GLU 6 HB3 GLU 6 -8.312 -8.201 -1.922 45 HG2 GLU 6 HG2 GLU 6 -9.519 -6.142 -1.787 46 HG3 GLU 6 HG3 GLU 6 -8.030 -5.204 -1.846 47 H HIS 7 H HIS 7 -5.086 -8.053 0.045 48 HA HIS 7 HA HIS 7 -5.534 -10.773 0.646 49 HB2 HIS 7 HB2 HIS 7 -3.185 -9.001 1.358 50 HB3 HIS 7 HB3 HIS 7 -3.204 -10.753 1.518 51 HD1 HIS 7 HD1 HIS 7 -1.393 -8.838 -0.444 52 HD2 HIS 7 HD2 HIS 7 -4.524 -11.383 -1.456 53 HE1 HIS 7 HE1 HIS 7 -1.076 -9.423 -2.884 54 H LYS 8 H LYS 8 -5.023 -7.912 2.652 55 HA LYS 8 HA LYS 8 -4.958 -9.124 5.168 56 HB2 LYS 8 HB2 LYS 8 -6.216 -6.433 4.668 57 HB3 LYS 8 HB3 LYS 8 -5.347 -6.974 6.095 58 HG2 LYS 8 HG2 LYS 8 -4.195 -6.348 3.393 59 HG3 LYS 8 HG3 LYS 8 -3.983 -5.436 4.886 60 HD2 LYS 8 HD2 LYS 8 -2.838 -7.383 5.874 61 HD3 LYS 8 HD3 LYS 8 -2.990 -8.227 4.328 62 HE2 LYS 8 HE2 LYS 8 -1.642 -6.552 3.233 63 HE3 LYS 8 HE3 LYS 8 -1.593 -5.585 4.711 64 HZ1 LYS 8 HZ1 LYS 8 -0.273 -7.197 5.780 65 HZ2 LYS 8 HZ2 LYS 8 0.435 -6.970 4.256 66 HZ3 LYS 8 HZ3 LYS 8 -0.517 -8.343 4.556 67 H VAL 9 H VAL 9 -7.722 -7.728 3.422 68 HA VAL 9 HA VAL 9 -9.585 -8.193 5.471 69 HB VAL 9 HB VAL 9 -9.957 -6.592 3.660 70 HG11 VAL 9 HG11 VAL 9 -9.108 -7.847 1.775 71 HG12 VAL 9 HG12 VAL 9 -10.770 -7.336 1.476 72 HG13 VAL 9 HG13 VAL 9 -10.431 -9.008 1.929 73 HG21 VAL 9 HG21 VAL 9 -12.347 -7.053 3.314 74 HG22 VAL 9 HG22 VAL 9 -11.845 -7.331 4.983 75 HG23 VAL 9 HG23 VAL 9 -12.098 -8.698 3.898 76 H TYR 10 H TYR 10 -8.482 -10.239 2.820 77 HA TYR 10 HA TYR 10 -10.466 -12.254 3.220 78 HB2 TYR 10 HB2 TYR 10 -7.684 -12.578 2.069 79 HB3 TYR 10 HB3 TYR 10 -8.985 -13.745 1.952 80 HD1 TYR 10 HD2 TYR 10 -10.996 -11.242 1.430 81 HD2 TYR 10 HD1 TYR 10 -7.459 -12.750 -0.379 82 HE1 TYR 10 HE2 TYR 10 -11.681 -10.256 -0.712 83 HE2 TYR 10 HE1 TYR 10 -8.128 -11.775 -2.529 84 HH TYR 10 HH TYR 10 -10.573 -9.488 -2.833 85 H GLN 11 H GLN 11 -7.346 -11.489 4.581 86 HA GLN 11 HA GLN 11 -6.650 -13.988 5.628 87 HB2 GLN 11 HB2 GLN 11 -5.914 -11.237 6.614 88 HB3 GLN 11 HB3 GLN 11 -5.183 -12.718 7.210 89 HG2 GLN 11 HG2 GLN 11 -4.967 -11.511 4.472 90 HG3 GLN 11 HG3 GLN 11 -3.687 -11.788 5.649 91 HE21 GLN 11 HE21 GLN 11 -5.686 -13.182 3.207 92 HE22 GLN 11 HE22 GLN 11 -4.840 -14.686 3.077 93 H LEU 12 H LEU 12 -8.457 -11.343 7.109 94 HA LEU 12 HA LEU 12 -8.670 -12.911 9.545 95 HB2 LEU 12 HB2 LEU 12 -9.991 -10.652 10.159 96 HB3 LEU 12 HB3 LEU 12 -8.271 -10.878 10.356 97 HG LEU 12 HG LEU 12 -8.078 -9.859 7.983 98 HD11 LEU 12 HD11 LEU 12 -10.420 -9.912 7.383 99 HD12 LEU 12 HD12 LEU 12 -9.859 -8.241 7.470 100 HD13 LEU 12 HD13 LEU 12 -10.828 -8.915 8.781 101 HD21 LEU 12 HD21 LEU 12 -8.020 -7.614 8.934 102 HD22 LEU 12 HD22 LEU 12 -7.285 -8.792 10.021 103 HD23 LEU 12 HD23 LEU 12 -8.908 -8.183 10.347 104 H LEU 13 H LEU 13 -10.805 -11.481 7.100 105 HA LEU 13 HA LEU 13 -13.204 -12.057 8.435 106 HB2 LEU 13 HB2 LEU 13 -12.584 -11.652 5.531 107 HB3 LEU 13 HB3 LEU 13 -14.209 -11.992 6.093 108 HG LEU 13 HG LEU 13 -12.518 -9.587 6.738 109 HD11 LEU 13 HD11 LEU 13 -15.193 -9.902 5.391 110 HD12 LEU 13 HD12 LEU 13 -13.660 -9.593 4.578 111 HD13 LEU 13 HD13 LEU 13 -14.337 -8.383 5.670 112 HD21 LEU 13 HD21 LEU 13 -13.665 -10.311 8.754 113 HD22 LEU 13 HD22 LEU 13 -15.191 -10.394 7.874 114 HD23 LEU 13 HD23 LEU 13 -14.397 -8.838 8.120 115 H LYS 14 H LYS 14 -11.426 -13.973 6.029 116 HA LYS 14 HA LYS 14 -13.314 -16.067 5.887 117 HB2 LYS 14 HB2 LYS 14 -11.677 -17.322 4.737 118 HB3 LYS 14 HB3 LYS 14 -11.343 -15.647 4.320 119 HG2 LYS 14 HG2 LYS 14 -9.543 -15.588 5.954 120 HG3 LYS 14 HG3 LYS 14 -9.884 -17.260 6.390 121 HD2 LYS 14 HD2 LYS 14 -9.336 -17.984 4.136 122 HD3 LYS 14 HD3 LYS 14 -9.050 -16.311 3.654 123 HE2 LYS 14 HE2 LYS 14 -7.219 -16.153 5.252 124 HE3 LYS 14 HE3 LYS 14 -7.520 -17.810 5.775 125 HZ1 LYS 14 HZ1 LYS 14 -5.683 -17.623 4.180 126 HZ2 LYS 14 HZ2 LYS 14 -6.758 -17.020 3.015 127 HZ3 LYS 14 HZ3 LYS 14 -6.940 -18.601 3.600 128 H ASP 15 H ASP 15 -10.875 -15.277 8.206 129 HA ASP 15 HA ASP 15 -10.741 -17.852 9.462 130 HB2 ASP 15 HB2 ASP 15 -8.942 -16.091 9.521 131 HB3 ASP 15 HB3 ASP 15 -9.963 -15.166 10.609 132 H GLN 16 H GLN 16 -12.571 -14.917 9.876 133 HA GLN 16 HA GLN 16 -13.757 -15.686 12.389 134 HB2 GLN 16 HB2 GLN 16 -14.950 -13.592 10.604 135 HB3 GLN 16 HB3 GLN 16 -14.880 -13.644 12.360 136 HG2 GLN 16 HG2 GLN 16 -12.297 -13.485 11.867 137 HG3 GLN 16 HG3 GLN 16 -12.883 -12.738 10.388 138 HE21 GLN 16 HE21 GLN 16 -12.248 -10.718 10.791 139 HE22 GLN 16 HE22 GLN 16 -12.867 -9.730 12.065 140 H GLY 17 H GLY 17 -14.186 -16.863 9.379 141 HA2 GLY 17 HA2 GLY 17 -15.787 -18.469 8.789 142 HA3 GLY 17 HA3 GLY 17 -16.832 -17.858 10.068 143 H CYS 18 H CYS 18 -15.256 -15.839 7.646 144 HA CYS 18 HA CYS 18 -17.885 -15.567 6.338 145 HB2 CYS 18 HB2 CYS 18 -16.895 -13.548 7.709 146 HB3 CYS 18 HB3 CYS 18 -15.894 -13.328 6.276 147 H GLU 19 H GLU 19 -17.893 -16.134 4.274 148 HA GLU 19 HA GLU 19 -15.396 -15.885 2.735 149 HB2 GLU 19 HB2 GLU 19 -16.439 -17.693 1.271 150 HB3 GLU 19 HB3 GLU 19 -15.879 -18.194 2.860 151 HG2 GLU 19 HG2 GLU 19 -18.700 -17.367 2.645 152 HG3 GLU 19 HG3 GLU 19 -18.247 -18.886 1.876 153 H ASP 20 H ASP 20 -18.105 -14.341 3.275 154 HA ASP 20 HA ASP 20 -18.892 -13.946 0.494 155 HB2 ASP 20 HB2 ASP 20 -20.716 -14.644 1.946 156 HB3 ASP 20 HB3 ASP 20 -20.376 -13.320 3.056 157 H PHE 21 H PHE 21 -17.166 -12.578 0.033 158 HA PHE 21 HA PHE 21 -17.780 -9.822 0.325 159 HB2 PHE 21 HB2 PHE 21 -15.440 -9.266 1.280 160 HB3 PHE 21 HB3 PHE 21 -16.706 -9.755 2.396 161 HD1 PHE 21 HD1 PHE 21 -13.602 -10.846 0.711 162 HD2 PHE 21 HD2 PHE 21 -16.528 -11.725 3.672 163 HE1 PHE 21 HE1 PHE 21 -12.144 -12.605 1.632 164 HE2 PHE 21 HE2 PHE 21 -15.082 -13.478 4.587 165 HZ PHE 21 HZ PHE 21 -12.879 -13.923 3.584 166 H GLY 22 H GLY 22 -16.104 -8.447 -0.797 167 HA2 GLY 22 HA2 GLY 22 -14.050 -9.399 -2.381 168 HA3 GLY 22 HA3 GLY 22 -15.515 -9.628 -3.327 169 H THR 23 H THR 23 -13.798 -8.022 -4.493 170 HA THR 23 HA THR 23 -14.665 -5.285 -3.814 171 HB THR 23 HB THR 23 -12.607 -4.637 -5.222 172 HG1 THR 23 HG1 THR 23 -10.987 -6.516 -4.785 173 HG21 THR 23 HG21 THR 23 -11.108 -4.864 -3.288 174 HG22 THR 23 HG22 THR 23 -12.244 -5.993 -2.550 175 HG23 THR 23 HG23 THR 23 -12.714 -4.313 -2.812 176 H LYS 24 H LYS 24 -15.620 -4.044 -5.353 177 HA LYS 24 HA LYS 24 -15.744 -5.168 -8.083 178 HB2 LYS 24 HB2 LYS 24 -17.896 -4.234 -8.410 179 HB3 LYS 24 HB3 LYS 24 -17.957 -5.014 -6.838 180 HG2 LYS 24 HG2 LYS 24 -17.966 -2.984 -5.694 181 HG3 LYS 24 HG3 LYS 24 -17.352 -2.092 -7.089 182 HD2 LYS 24 HD2 LYS 24 -19.477 -2.538 -8.266 183 HD3 LYS 24 HD3 LYS 24 -20.088 -3.335 -6.816 184 HE2 LYS 24 HE2 LYS 24 -19.834 -1.245 -5.566 185 HE3 LYS 24 HE3 LYS 24 -19.221 -0.452 -7.015 186 HZ1 LYS 24 HZ1 LYS 24 -21.948 -1.574 -6.638 187 HZ2 LYS 24 HZ2 LYS 24 -21.369 -0.924 -8.089 188 HZ3 LYS 24 HZ3 LYS 24 -21.533 0.068 -6.724 189 H CYS 25 H CYS 25 -15.717 -3.639 -9.825 190 HA CYS 25 HA CYS 25 -14.885 -0.921 -9.148 191 HB2 CYS 25 HB2 CYS 25 -13.087 -1.063 -10.920 192 HB3 CYS 25 HB3 CYS 25 -12.765 -1.972 -9.448 193 HG CYS 25 HG CYS 25 -12.559 -4.315 -10.516 194 H VAL 26 H VAL 26 -17.154 -0.701 -9.806 195 HA VAL 26 HA VAL 26 -17.634 -1.020 -12.672 196 HB VAL 26 HB VAL 26 -19.375 -1.838 -11.140 197 HG11 VAL 26 HG11 VAL 26 -19.662 1.042 -10.291 198 HG12 VAL 26 HG12 VAL 26 -19.064 -0.286 -9.296 199 HG13 VAL 26 HG13 VAL 26 -20.741 -0.280 -9.841 200 HG21 VAL 26 HG21 VAL 26 -20.218 0.547 -12.781 201 HG22 VAL 26 HG22 VAL 26 -21.298 -0.713 -12.182 202 HG23 VAL 26 HG23 VAL 26 -20.039 -1.112 -13.352 203 H ILE 27 H ILE 27 -17.842 0.696 -14.044 204 HA ILE 27 HA ILE 27 -16.783 3.184 -13.114 205 HB ILE 27 HB ILE 27 -17.815 2.324 -15.808 206 HG12 ILE 27 HG12 ILE 27 -15.048 2.951 -14.752 207 HG13 ILE 27 HG13 ILE 27 -15.678 1.347 -15.119 208 HG21 ILE 27 HG21 ILE 27 -16.942 4.455 -16.666 209 HG22 ILE 27 HG22 ILE 27 -16.608 4.968 -15.011 210 HG23 ILE 27 HG23 ILE 27 -18.272 4.692 -15.528 211 HD11 ILE 27 HD11 ILE 27 -15.210 3.564 -17.094 212 HD12 ILE 27 HD12 ILE 27 -15.859 1.969 -17.474 213 HD13 ILE 27 HD13 ILE 27 -14.209 2.129 -16.872 214 H GLU 28 H GLU 28 -17.813 4.858 -12.382 215 HA GLU 28 HA GLU 28 -20.650 5.195 -13.050 216 HB2 GLU 28 HB2 GLU 28 -19.080 6.001 -10.616 217 HB3 GLU 28 HB3 GLU 28 -20.592 6.802 -11.031 218 HG2 GLU 28 HG2 GLU 28 -21.558 4.410 -11.115 219 HG3 GLU 28 HG3 GLU 28 -20.116 3.971 -10.202 220 H GLU 29 H GLU 29 -20.578 6.360 -14.854 221 HA GLU 29 HA GLU 29 -18.795 8.480 -15.399 222 HB2 GLU 29 HB2 GLU 29 -20.385 9.037 -17.218 223 HB3 GLU 29 HB3 GLU 29 -19.997 7.321 -17.175 224 HG2 GLU 29 HG2 GLU 29 -22.085 6.836 -16.043 225 HG3 GLU 29 HG3 GLU 29 -22.484 8.550 -16.007 226 H VAL 30 H VAL 30 -18.873 10.606 -14.836 227 HA VAL 30 HA VAL 30 -20.913 11.345 -12.908 228 HB VAL 30 HB VAL 30 -18.467 12.885 -13.801 229 HG11 VAL 30 HG11 VAL 30 -20.337 13.365 -11.481 230 HG12 VAL 30 HG12 VAL 30 -20.216 14.358 -12.933 231 HG13 VAL 30 HG13 VAL 30 -18.854 14.260 -11.817 232 HG21 VAL 30 HG21 VAL 30 -17.521 12.190 -11.654 233 HG22 VAL 30 HG22 VAL 30 -17.907 10.801 -12.669 234 HG23 VAL 30 HG23 VAL 30 -18.967 11.235 -11.328 235 H LYS 31 H LYS 31 -22.673 11.447 -14.298 236 HA LYS 31 HA LYS 31 -22.739 13.446 -16.369 237 HB2 LYS 31 HB2 LYS 31 -25.182 12.833 -16.473 238 HB3 LYS 31 HB3 LYS 31 -24.063 11.516 -16.785 239 HG2 LYS 31 HG2 LYS 31 -24.382 10.738 -14.467 240 HG3 LYS 31 HG3 LYS 31 -25.567 12.022 -14.225 241 HD2 LYS 31 HD2 LYS 31 -26.704 9.949 -14.730 242 HD3 LYS 31 HD3 LYS 31 -26.912 11.080 -16.069 243 HE2 LYS 31 HE2 LYS 31 -25.134 9.958 -17.305 244 HE3 LYS 31 HE3 LYS 31 -24.891 8.844 -15.960 245 HZ1 LYS 31 HZ1 LYS 31 -26.230 7.816 -17.659 246 HZ2 LYS 31 HZ2 LYS 31 -27.348 9.092 -17.614 247 HZ3 LYS 31 HZ3 LYS 31 -27.178 8.065 -16.272 248 H SER 32 H SER 32 -22.550 15.441 -15.675 249 HA SER 32 HA SER 32 -24.307 16.336 -13.485 250 HB2 SER 32 HB2 SER 32 -21.838 16.202 -12.914 251 HB3 SER 32 HB3 SER 32 -21.571 17.464 -14.114 252 HG SER 32 HG SER 32 -23.564 18.021 -12.281 253 H SER 33 H SER 33 -23.044 16.837 -16.650 254 HA SER 33 HA SER 33 -24.855 19.101 -17.023 255 HB2 SER 33 HB2 SER 33 -22.594 20.026 -16.588 256 HB3 SER 33 HB3 SER 33 -21.959 19.071 -17.928 257 HG SER 33 HG SER 33 -22.894 21.479 -18.078 258 H HIS 34 H HIS 34 -24.555 19.637 -19.608 259 HA HIS 34 HA HIS 34 -25.633 17.338 -20.897 260 HB2 HIS 34 HB2 HIS 34 -24.727 19.977 -22.068 261 HB3 HIS 34 HB3 HIS 34 -25.634 18.748 -22.940 262 HD1 HIS 34 HD1 HIS 34 -26.113 21.751 -20.991 263 HD2 HIS 34 HD2 HIS 34 -28.256 18.256 -21.679 264 HE1 HIS 34 HE1 HIS 34 -28.504 22.242 -20.327 265 H LYS 35 H LYS 35 -24.385 15.659 -21.349 266 HA LYS 35 HA LYS 35 -21.637 16.078 -22.235 267 HB2 LYS 35 HB2 LYS 35 -21.393 13.652 -21.958 268 HB3 LYS 35 HB3 LYS 35 -22.018 14.397 -20.493 269 HG2 LYS 35 HG2 LYS 35 -24.205 13.594 -20.903 270 HG3 LYS 35 HG3 LYS 35 -23.789 13.102 -22.546 271 HD2 LYS 35 HD2 LYS 35 -22.234 11.430 -21.630 272 HD3 LYS 35 HD3 LYS 35 -22.705 11.905 -19.996 273 HE2 LYS 35 HE2 LYS 35 -24.945 11.161 -20.352 274 HE3 LYS 35 HE3 LYS 35 -24.641 10.899 -22.068 275 HZ1 LYS 35 HZ1 LYS 35 -23.498 9.364 -19.795 276 HZ2 LYS 35 HZ2 LYS 35 -22.989 9.190 -21.405 277 HZ3 LYS 35 HZ3 LYS 35 -24.586 8.805 -20.971 278 H THR 36 H THR 36 -20.929 14.464 -24.012 279 HA THR 36 HA THR 36 -22.465 14.922 -26.346 280 HB THR 36 HB THR 36 -20.034 14.720 -26.452 281 HG1 THR 36 HG1 THR 36 -21.677 13.795 -28.158 282 HG21 THR 36 HG21 THR 36 -19.692 13.028 -24.728 283 HG22 THR 36 HG22 THR 36 -18.934 12.542 -26.244 284 HG23 THR 36 HG23 THR 36 -20.464 11.815 -25.751 285 H LEU 37 H LEU 37 -23.842 13.642 -27.444 286 HA LEU 37 HA LEU 37 -24.672 11.143 -26.128 287 HB2 LEU 37 HB2 LEU 37 -26.440 12.770 -26.167 288 HB3 LEU 37 HB3 LEU 37 -26.188 13.079 -27.872 289 HG LEU 37 HG LEU 37 -26.966 10.771 -28.371 290 HD11 LEU 37 HD11 LEU 37 -27.645 10.705 -25.433 291 HD12 LEU 37 HD12 LEU 37 -26.400 9.741 -26.230 292 HD13 LEU 37 HD13 LEU 37 -28.099 9.494 -26.633 293 HD21 LEU 37 HD21 LEU 37 -28.893 12.466 -26.784 294 HD22 LEU 37 HD22 LEU 37 -29.332 11.218 -27.953 295 HD23 LEU 37 HD23 LEU 37 -28.494 12.676 -28.489 296 H LEU 38 H LEU 38 -23.852 9.411 -27.106 297 HA LEU 38 HA LEU 38 -24.320 9.054 -29.921 298 HB2 LEU 38 HB2 LEU 38 -22.075 8.640 -30.618 299 HB3 LEU 38 HB3 LEU 38 -22.147 10.233 -29.905 300 HG LEU 38 HG LEU 38 -20.993 7.779 -28.553 301 HD11 LEU 38 HD11 LEU 38 -19.667 8.524 -30.462 302 HD12 LEU 38 HD12 LEU 38 -18.844 8.836 -28.934 303 HD13 LEU 38 HD13 LEU 38 -19.629 10.158 -29.798 304 HD21 LEU 38 HD21 LEU 38 -19.996 9.759 -27.150 305 HD22 LEU 38 HD22 LEU 38 -21.566 9.062 -26.764 306 HD23 LEU 38 HD23 LEU 38 -21.469 10.576 -27.672 307 H ASN 39 H ASN 39 -22.914 6.875 -30.475 308 HA ASN 39 HA ASN 39 -24.268 4.710 -29.641 309 HB2 ASN 39 HB2 ASN 39 -22.578 4.678 -31.407 310 HB3 ASN 39 HB3 ASN 39 -21.302 4.850 -30.201 311 HD21 ASN 39 HD21 ASN 39 -20.673 3.054 -29.008 312 HD22 ASN 39 HD22 ASN 39 -21.216 1.452 -29.384 313 H THR 40 H THR 40 -21.066 5.385 -28.298 314 HA THR 40 HA THR 40 -21.939 4.241 -25.733 315 HB THR 40 HB THR 40 -19.259 3.984 -25.615 316 HG1 THR 40 HG1 THR 40 -18.359 3.990 -27.521 317 HG21 THR 40 HG21 THR 40 -19.576 1.625 -26.284 318 HG22 THR 40 HG22 THR 40 -21.167 2.042 -26.923 319 HG23 THR 40 HG23 THR 40 -20.843 2.190 -25.197 320 H GLU 41 H GLU 41 -19.557 5.109 -24.330 321 HA GLU 41 HA GLU 41 -20.123 7.970 -24.312 322 HB2 GLU 41 HB2 GLU 41 -18.567 6.279 -22.353 323 HB3 GLU 41 HB3 GLU 41 -18.880 8.003 -22.181 324 HG2 GLU 41 HG2 GLU 41 -20.903 5.790 -22.215 325 HG3 GLU 41 HG3 GLU 41 -20.443 6.795 -20.841 326 H LEU 42 H LEU 42 -19.067 8.839 -25.922 327 HA LEU 42 HA LEU 42 -16.620 8.342 -26.994 328 HB2 LEU 42 HB2 LEU 42 -18.145 10.001 -27.904 329 HB3 LEU 42 HB3 LEU 42 -17.903 11.031 -26.507 330 HG LEU 42 HG LEU 42 -15.528 11.318 -27.165 331 HD11 LEU 42 HD11 LEU 42 -15.218 9.254 -28.402 332 HD12 LEU 42 HD12 LEU 42 -14.837 10.646 -29.416 333 HD13 LEU 42 HD13 LEU 42 -16.367 9.794 -29.626 334 HD21 LEU 42 HD21 LEU 42 -17.572 12.057 -29.256 335 HD22 LEU 42 HD22 LEU 42 -15.971 12.780 -29.091 336 HD23 LEU 42 HD23 LEU 42 -17.168 12.982 -27.810 337 H HIS 43 H HIS 43 -17.204 10.829 -24.515 338 HA HIS 43 HA HIS 43 -15.103 9.983 -22.830 339 HB2 HIS 43 HB2 HIS 43 -13.779 11.029 -24.711 340 HB3 HIS 43 HB3 HIS 43 -14.541 12.564 -24.312 341 HD1 HIS 43 HD1 HIS 43 -11.488 10.869 -23.741 342 HD2 HIS 43 HD2 HIS 43 -14.048 13.097 -21.342 343 HE1 HIS 43 HE1 HIS 43 -10.123 11.617 -21.749 344 H LEU 44 H LEU 44 -16.562 10.217 -21.175 345 HA LEU 44 HA LEU 44 -17.171 13.012 -20.478 346 HB2 LEU 44 HB2 LEU 44 -19.217 11.702 -20.803 347 HB3 LEU 44 HB3 LEU 44 -18.635 10.484 -19.684 348 HG LEU 44 HG LEU 44 -18.678 12.220 -17.878 349 HD11 LEU 44 HD11 LEU 44 -20.001 14.244 -18.265 350 HD12 LEU 44 HD12 LEU 44 -20.110 13.840 -19.979 351 HD13 LEU 44 HD13 LEU 44 -18.543 14.208 -19.256 352 HD21 LEU 44 HD21 LEU 44 -21.093 12.145 -17.575 353 HD22 LEU 44 HD22 LEU 44 -20.477 10.592 -18.140 354 HD23 LEU 44 HD23 LEU 44 -21.300 11.677 -19.262 355 H THR 45 H THR 45 -16.712 13.622 -18.315 356 HA THR 45 HA THR 45 -14.545 12.391 -17.040 357 HB THR 45 HB THR 45 -16.611 14.031 -15.595 358 HG1 THR 45 HG1 THR 45 -14.504 14.972 -17.289 359 HG21 THR 45 HG21 THR 45 -14.653 14.854 -14.357 360 HG22 THR 45 HG22 THR 45 -13.610 13.816 -15.330 361 HG23 THR 45 HG23 THR 45 -14.801 13.100 -14.243 362 H LYS 46 H LYS 46 -14.678 10.322 -16.447 363 HA LYS 46 HA LYS 46 -17.030 9.473 -14.923 364 HB2 LYS 46 HB2 LYS 46 -17.398 7.697 -16.248 365 HB3 LYS 46 HB3 LYS 46 -16.475 8.609 -17.430 366 HG2 LYS 46 HG2 LYS 46 -15.291 6.565 -15.575 367 HG3 LYS 46 HG3 LYS 46 -15.832 6.226 -17.217 368 HD2 LYS 46 HD2 LYS 46 -14.151 7.596 -18.154 369 HD3 LYS 46 HD3 LYS 46 -13.774 8.328 -16.586 370 HE2 LYS 46 HE2 LYS 46 -12.979 6.211 -15.757 371 HE3 LYS 46 HE3 LYS 46 -13.418 5.421 -17.268 372 HZ1 LYS 46 HZ1 LYS 46 -11.276 7.432 -16.854 373 HZ2 LYS 46 HZ2 LYS 46 -11.789 6.923 -18.384 374 HZ3 LYS 46 HZ3 LYS 46 -11.095 5.813 -17.310 375 H TYR 47 H TYR 47 -16.695 7.821 -13.358 376 HA TYR 47 HA TYR 47 -13.930 7.809 -12.353 377 HB2 TYR 47 HB2 TYR 47 -16.526 8.247 -10.889 378 HB3 TYR 47 HB3 TYR 47 -15.079 7.710 -10.049 379 HD1 TYR 47 HD2 TYR 47 -15.722 10.317 -12.668 380 HD2 TYR 47 HD1 TYR 47 -14.189 9.415 -8.809 381 HE1 TYR 47 HE2 TYR 47 -15.001 12.651 -12.418 382 HE2 TYR 47 HE1 TYR 47 -13.465 11.748 -8.545 383 HH TYR 47 HH TYR 47 -13.006 13.683 -9.743 384 H TYR 48 H TYR 48 -13.210 5.952 -11.357 385 HA TYR 48 HA TYR 48 -14.702 3.532 -11.906 386 HB2 TYR 48 HB2 TYR 48 -12.035 3.931 -10.522 387 HB3 TYR 48 HB3 TYR 48 -12.738 2.372 -10.931 388 HD1 TYR 48 HD2 TYR 48 -13.722 4.115 -13.629 389 HD2 TYR 48 HD1 TYR 48 -10.098 2.822 -11.830 390 HE1 TYR 48 HE2 TYR 48 -12.610 4.210 -15.815 391 HE2 TYR 48 HE1 TYR 48 -8.972 2.910 -14.010 392 HH TYR 48 HH TYR 48 -9.684 2.784 -16.468 393 H GLY 49 H GLY 49 -16.280 2.980 -10.573 394 HA2 GLY 49 HA2 GLY 49 -16.325 3.847 -7.823 395 HA3 GLY 49 HA3 GLY 49 -17.520 2.833 -8.624 396 H PHE 50 H PHE 50 -14.258 2.822 -7.269 397 HA PHE 50 HA PHE 50 -14.150 -0.046 -7.057 398 HB2 PHE 50 HB2 PHE 50 -12.382 2.221 -6.342 399 HB3 PHE 50 HB3 PHE 50 -12.208 0.765 -5.373 400 HD1 PHE 50 HD2 PHE 50 -11.689 -1.395 -6.522 401 HD2 PHE 50 HD1 PHE 50 -11.443 2.358 -8.521 402 HE1 PHE 50 HE2 PHE 50 -10.265 -2.406 -8.251 403 HE2 PHE 50 HE1 PHE 50 -10.036 1.351 -10.243 404 HZ PHE 50 HZ PHE 50 -9.425 -1.025 -10.112 405 H SER 51 H SER 51 -15.345 -1.112 -5.653 406 HA SER 51 HA SER 51 -15.787 0.096 -3.004 407 HB2 SER 51 HB2 SER 51 -17.957 -1.502 -4.310 408 HB3 SER 51 HB3 SER 51 -18.078 -0.239 -3.086 409 HG SER 51 HG SER 51 -16.995 0.698 -5.384 410 H PHE 52 H PHE 52 -15.698 -1.298 -1.292 411 HA PHE 52 HA PHE 52 -15.187 -4.115 -1.938 412 HB2 PHE 52 HB2 PHE 52 -13.525 -2.932 -0.438 413 HB3 PHE 52 HB3 PHE 52 -14.814 -2.796 0.759 414 HD1 PHE 52 HD2 PHE 52 -15.768 -4.806 1.808 415 HD2 PHE 52 HD1 PHE 52 -12.437 -5.031 -0.834 416 HE1 PHE 52 HE2 PHE 52 -15.311 -7.095 2.582 417 HE2 PHE 52 HE1 PHE 52 -11.985 -7.322 -0.071 418 HZ PHE 52 HZ PHE 52 -13.421 -8.357 1.635 419 H PHE 53 H PHE 53 -16.725 -5.506 -1.710 420 HA PHE 53 HA PHE 53 -19.115 -4.802 -0.169 421 HB2 PHE 53 HB2 PHE 53 -18.545 -6.639 -2.445 422 HB3 PHE 53 HB3 PHE 53 -19.887 -7.024 -1.376 423 HD1 PHE 53 HD2 PHE 53 -18.580 -4.608 -3.803 424 HD2 PHE 53 HD1 PHE 53 -21.859 -5.741 -1.358 425 HE1 PHE 53 HE2 PHE 53 -20.027 -3.039 -5.027 426 HE2 PHE 53 HE1 PHE 53 -23.320 -4.177 -2.573 427 HZ PHE 53 HZ PHE 53 -22.401 -2.822 -4.409 428 H ARG 54 H ARG 54 -19.634 -5.782 1.651 429 HA ARG 54 HA ARG 54 -18.811 -8.577 1.978 430 HB2 ARG 54 HB2 ARG 54 -17.457 -7.243 3.569 431 HB3 ARG 54 HB3 ARG 54 -18.939 -6.586 4.262 432 HG2 ARG 54 HG2 ARG 54 -19.637 -8.878 4.857 433 HG3 ARG 54 HG3 ARG 54 -18.097 -9.478 4.246 434 HD2 ARG 54 HD2 ARG 54 -16.915 -8.164 5.932 435 HD3 ARG 54 HD3 ARG 54 -18.454 -7.538 6.533 436 HE ARG 54 HE ARG 54 -18.290 -10.409 6.491 437 HH11 ARG 54 1HH1 ARG 54 -17.589 -7.556 8.374 438 HH12 ARG 54 2HH1 ARG 54 -17.670 -8.382 9.898 439 HH21 ARG 54 1HH2 ARG 54 -18.389 -11.501 8.535 440 HH22 ARG 54 2HH2 ARG 54 -18.139 -10.597 9.996 441 H HIS 55 H HIS 55 -20.609 -9.779 1.975 442 HA HIS 55 HA HIS 55 -22.769 -10.461 2.192 443 HB2 HIS 55 HB2 HIS 55 -22.598 -8.463 4.414 444 HB3 HIS 55 HB3 HIS 55 -24.152 -9.181 3.998 445 HD1 HIS 55 HD1 HIS 55 -24.664 -11.343 5.109 446 HD2 HIS 55 HD2 HIS 55 -20.582 -10.538 5.017 447 HE1 HIS 55 HE1 HIS 55 -23.545 -13.175 6.435 448 H GLY 56 H GLY 56 -22.008 -8.186 0.398 449 HA2 GLY 56 HA2 GLY 56 -23.248 -7.083 -1.235 450 HA3 GLY 56 HA3 GLY 56 -24.712 -7.445 -0.332 451 H ASN 57 H ASN 57 -22.584 -6.201 1.848 452 HA ASN 57 HA ASN 57 -23.747 -3.525 1.608 453 HB2 ASN 57 HB2 ASN 57 -22.020 -4.597 3.847 454 HB3 ASN 57 HB3 ASN 57 -22.944 -3.100 3.851 455 HD21 ASN 57 HD21 ASN 57 -22.986 -6.473 4.213 456 HD22 ASN 57 HD22 ASN 57 -24.626 -6.633 4.768 457 H ILE 58 H ILE 58 -22.226 -1.731 2.249 458 HA ILE 58 HA ILE 58 -19.729 -2.085 0.737 459 HB ILE 58 HB ILE 58 -21.383 0.393 1.192 460 HG12 ILE 58 HG12 ILE 58 -22.040 -1.207 -0.602 461 HG13 ILE 58 HG13 ILE 58 -21.614 0.390 -1.210 462 HG21 ILE 58 HG21 ILE 58 -18.630 0.166 -0.030 463 HG22 ILE 58 HG22 ILE 58 -19.060 1.027 1.448 464 HG23 ILE 58 HG23 ILE 58 -19.657 1.598 -0.110 465 HD11 ILE 58 HD11 ILE 58 -19.845 -2.047 -1.243 466 HD12 ILE 58 HD12 ILE 58 -19.425 -0.452 -1.866 467 HD13 ILE 58 HD13 ILE 58 -20.722 -1.379 -2.621 468 H VAL 59 H VAL 59 -18.122 -2.438 2.016 469 HA VAL 59 HA VAL 59 -17.963 -1.145 4.625 470 HB VAL 59 HB VAL 59 -16.087 -3.122 3.308 471 HG11 VAL 59 HG11 VAL 59 -16.107 -1.930 6.070 472 HG12 VAL 59 HG12 VAL 59 -14.843 -1.800 4.846 473 HG13 VAL 59 HG13 VAL 59 -15.168 -3.351 5.620 474 HG21 VAL 59 HG21 VAL 59 -18.180 -3.494 5.453 475 HG22 VAL 59 HG22 VAL 59 -16.994 -4.714 4.983 476 HG23 VAL 59 HG23 VAL 59 -18.205 -4.164 3.821 477 H ALA 60 H ALA 60 -16.474 -1.111 1.459 478 HA ALA 60 HA ALA 60 -15.122 1.395 2.171 479 HB1 ALA 60 1HB ALA 60 -13.458 -0.407 2.357 480 HB2 ALA 60 HB2 ALA 60 -13.082 0.709 1.042 481 HB3 ALA 60 HB3 ALA 60 -13.787 -0.868 0.687 482 H TYR 61 H TYR 61 -15.185 2.918 0.590 483 HA TYR 61 HA TYR 61 -15.649 2.066 -2.163 484 HB2 TYR 61 HB2 TYR 61 -17.858 2.718 -1.010 485 HB3 TYR 61 HB3 TYR 61 -17.234 4.365 -1.018 486 HD1 TYR 61 HD2 TYR 61 -16.225 5.022 -3.472 487 HD2 TYR 61 HD1 TYR 61 -19.312 2.197 -2.716 488 HE1 TYR 61 HE2 TYR 61 -17.028 5.291 -5.772 489 HE2 TYR 61 HE1 TYR 61 -20.126 2.464 -5.025 490 HH TYR 61 HH TYR 61 -20.019 4.126 -6.865 491 H GLY 62 H GLY 62 -14.252 3.010 -3.449 492 HA2 GLY 62 HA2 GLY 62 -13.256 5.705 -2.751 493 HA3 GLY 62 HA3 GLY 62 -12.179 4.442 -3.338 494 H LYS 63 H LYS 63 -14.274 6.960 -4.191 495 HA LYS 63 HA LYS 63 -14.563 6.032 -6.950 496 HB2 LYS 63 HB2 LYS 63 -16.515 6.983 -5.745 497 HB3 LYS 63 HB3 LYS 63 -15.660 8.511 -5.618 498 HG2 LYS 63 HG2 LYS 63 -16.708 9.054 -7.501 499 HG3 LYS 63 HG3 LYS 63 -15.540 8.005 -8.299 500 HD2 LYS 63 HD2 LYS 63 -17.750 7.404 -9.036 501 HD3 LYS 63 HD3 LYS 63 -17.123 6.110 -8.010 502 HE2 LYS 63 HE2 LYS 63 -19.420 6.536 -7.421 503 HE3 LYS 63 HE3 LYS 63 -18.376 7.068 -6.104 504 HZ1 LYS 63 HZ1 LYS 63 -18.555 9.356 -7.175 505 HZ2 LYS 63 HZ2 LYS 63 -19.924 8.771 -6.372 506 HZ3 LYS 63 HZ3 LYS 63 -19.854 8.720 -8.064 507 H SER 64 H SER 64 -13.047 6.568 -8.378 508 HA SER 64 HA SER 64 -12.095 9.287 -8.545 509 HB2 SER 64 HB2 SER 64 -10.123 7.043 -8.051 510 HB3 SER 64 HB3 SER 64 -9.695 8.691 -8.504 511 HG SER 64 HG SER 64 -11.361 8.649 -6.364 512 H ARG 65 H ARG 65 -11.109 9.770 -10.550 513 HA ARG 65 HA ARG 65 -11.957 8.138 -12.742 514 HB2 ARG 65 HB2 ARG 65 -11.707 10.669 -12.758 515 HB3 ARG 65 HB3 ARG 65 -9.967 10.419 -12.810 516 HG2 ARG 65 HG2 ARG 65 -10.260 9.158 -14.921 517 HG3 ARG 65 HG3 ARG 65 -11.978 9.564 -14.878 518 HD2 ARG 65 HD2 ARG 65 -11.034 11.183 -16.279 519 HD3 ARG 65 HD3 ARG 65 -11.220 11.998 -14.728 520 HE ARG 65 HE ARG 65 -8.654 10.898 -15.704 521 HH11 ARG 65 1HH1 ARG 65 -10.488 13.295 -13.913 522 HH12 ARG 65 2HH1 ARG 65 -9.115 14.322 -13.648 523 HH21 ARG 65 1HH2 ARG 65 -6.863 12.267 -15.386 524 HH22 ARG 65 2HH2 ARG 65 -7.047 13.731 -14.456 525 H LYS 66 H LYS 66 -9.100 8.564 -10.864 526 HA LYS 66 HA LYS 66 -7.427 6.950 -12.610 527 HB2 LYS 66 HB2 LYS 66 -6.499 8.920 -11.423 528 HB3 LYS 66 HB3 LYS 66 -6.871 8.151 -9.886 529 HG2 LYS 66 HG2 LYS 66 -5.344 6.276 -10.572 530 HG3 LYS 66 HG3 LYS 66 -4.861 7.277 -11.944 531 HD2 LYS 66 HD2 LYS 66 -4.572 7.969 -9.021 532 HD3 LYS 66 HD3 LYS 66 -3.274 7.536 -10.134 533 HE2 LYS 66 HE2 LYS 66 -5.066 9.942 -10.418 534 HE3 LYS 66 HE3 LYS 66 -3.446 9.972 -9.730 535 HZ1 LYS 66 HZ1 LYS 66 -4.136 9.195 -12.516 536 HZ2 LYS 66 HZ2 LYS 66 -2.574 9.205 -11.854 537 HZ3 LYS 66 HZ3 LYS 66 -3.429 10.661 -12.035 538 H VAL 67 H VAL 67 -7.324 4.809 -12.435 539 HA VAL 67 HA VAL 67 -8.837 3.299 -10.643 540 HB VAL 67 HB VAL 67 -8.072 2.339 -12.723 541 HG11 VAL 67 HG11 VAL 67 -5.749 1.726 -13.109 542 HG12 VAL 67 HG12 VAL 67 -5.296 2.484 -11.584 543 HG13 VAL 67 HG13 VAL 67 -5.932 3.468 -12.901 544 HG21 VAL 67 HG21 VAL 67 -7.157 0.175 -11.939 545 HG22 VAL 67 HG22 VAL 67 -8.544 0.727 -11.004 546 HG23 VAL 67 HG23 VAL 67 -6.918 0.893 -10.346 547 H ALA 68 H ALA 68 -5.418 4.196 -10.502 548 HA ALA 68 HA ALA 68 -4.746 2.699 -8.222 549 HB1 ALA 68 1HB ALA 68 -3.463 5.234 -9.234 550 HB2 ALA 68 HB2 ALA 68 -3.091 3.603 -9.791 551 HB3 ALA 68 HB3 ALA 68 -2.741 4.066 -8.127 552 H ASN 69 H ASN 69 -6.035 5.957 -8.595 553 HA ASN 69 HA ASN 69 -5.666 6.686 -5.849 554 HB2 ASN 69 HB2 ASN 69 -5.922 8.267 -7.870 555 HB3 ASN 69 HB3 ASN 69 -7.647 7.963 -7.736 556 HD21 ASN 69 HD21 ASN 69 -8.796 8.856 -6.040 557 HD22 ASN 69 HD22 ASN 69 -8.116 10.057 -4.992 558 H ALA 70 H ALA 70 -8.364 5.559 -7.824 559 HA ALA 70 HA ALA 70 -10.371 5.641 -5.877 560 HB1 ALA 70 1HB ALA 70 -10.773 5.371 -8.291 561 HB2 ALA 70 HB2 ALA 70 -11.598 4.139 -7.335 562 HB3 ALA 70 HB3 ALA 70 -10.115 3.734 -8.200 563 H LYS 71 H LYS 71 -8.303 2.932 -6.906 564 HA LYS 71 HA LYS 71 -9.161 1.012 -5.083 565 HB2 LYS 71 HB2 LYS 71 -6.397 1.501 -6.199 566 HB3 LYS 71 HB3 LYS 71 -6.842 0.072 -5.280 567 HG2 LYS 71 HG2 LYS 71 -8.512 -0.460 -6.978 568 HG3 LYS 71 HG3 LYS 71 -7.966 0.934 -7.909 569 HD2 LYS 71 HD2 LYS 71 -6.250 -1.418 -7.117 570 HD3 LYS 71 HD3 LYS 71 -6.959 -1.164 -8.712 571 HE2 LYS 71 HE2 LYS 71 -5.666 0.867 -8.994 572 HE3 LYS 71 HE3 LYS 71 -5.015 0.707 -7.364 573 HZ1 LYS 71 HZ1 LYS 71 -3.531 -0.065 -9.210 574 HZ2 LYS 71 HZ2 LYS 71 -4.611 -1.349 -9.466 575 HZ3 LYS 71 HZ3 LYS 71 -3.802 -1.203 -7.979 576 H TYR 72 H TYR 72 -6.753 3.545 -4.771 577 HA TYR 72 HA TYR 72 -5.604 2.750 -2.392 578 HB2 TYR 72 HB2 TYR 72 -4.472 4.419 -3.595 579 HB3 TYR 72 HB3 TYR 72 -5.917 5.412 -3.751 580 HD1 TYR 72 HD2 TYR 72 -3.397 4.225 -1.280 581 HD2 TYR 72 HD1 TYR 72 -6.354 7.132 -2.247 582 HE1 TYR 72 HE2 TYR 72 -2.705 5.569 0.659 583 HE2 TYR 72 HE1 TYR 72 -5.667 8.481 -0.310 584 HH TYR 72 HH TYR 72 -4.565 8.151 1.852 585 H ILE 73 H ILE 73 -8.293 4.976 -2.945 586 HA ILE 73 HA ILE 73 -8.697 5.809 -0.321 587 HB ILE 73 HB ILE 73 -10.721 5.508 -2.534 588 HG12 ILE 73 HG12 ILE 73 -9.341 8.035 -1.667 589 HG13 ILE 73 HG13 ILE 73 -8.594 6.947 -2.835 590 HG21 ILE 73 HG21 ILE 73 -11.811 5.713 -0.370 591 HG22 ILE 73 HG22 ILE 73 -12.006 7.199 -1.301 592 HG23 ILE 73 HG23 ILE 73 -10.827 7.127 0.009 593 HD11 ILE 73 HD11 ILE 73 -11.264 8.291 -3.120 594 HD12 ILE 73 HD12 ILE 73 -10.541 7.174 -4.280 595 HD13 ILE 73 HD13 ILE 73 -9.770 8.726 -3.954 596 H MET 74 H MET 74 -10.453 3.248 -2.104 597 HA MET 74 HA MET 74 -12.030 2.486 0.098 598 HB2 MET 74 HB2 MET 74 -12.598 0.489 -1.164 599 HB3 MET 74 HB3 MET 74 -12.606 1.890 -2.226 600 HG2 MET 74 HG2 MET 74 -10.656 1.233 -3.298 601 HG3 MET 74 HG3 MET 74 -10.200 0.137 -1.994 602 HE1 MET 74 HE1 MET 74 -10.150 -2.190 -2.420 603 HE2 MET 74 HE2 MET 74 -9.608 -1.555 -3.975 604 HE3 MET 74 HE3 MET 74 -10.740 -2.909 -3.922 605 H LYS 75 H LYS 75 -8.880 1.348 -1.049 606 HA LYS 75 HA LYS 75 -8.686 -0.853 0.674 607 HB2 LYS 75 HB2 LYS 75 -6.610 0.836 -0.705 608 HB3 LYS 75 HB3 LYS 75 -6.185 -0.556 0.286 609 HG2 LYS 75 HG2 LYS 75 -7.339 -2.048 -1.148 610 HG3 LYS 75 HG3 LYS 75 -8.102 -0.721 -2.024 611 HD2 LYS 75 HD2 LYS 75 -5.950 -0.034 -2.894 612 HD3 LYS 75 HD3 LYS 75 -5.147 -1.309 -1.973 613 HE2 LYS 75 HE2 LYS 75 -7.230 -1.775 -4.109 614 HE3 LYS 75 HE3 LYS 75 -5.490 -1.878 -4.367 615 HZ1 LYS 75 HZ1 LYS 75 -6.781 -4.025 -3.906 616 HZ2 LYS 75 HZ2 LYS 75 -6.809 -3.511 -2.294 617 HZ3 LYS 75 HZ3 LYS 75 -5.326 -3.779 -3.067 618 H GLN 76 H GLN 76 -7.686 2.532 1.110 619 HA GLN 76 HA GLN 76 -6.492 2.225 3.644 620 HB2 GLN 76 HB2 GLN 76 -7.892 4.605 2.419 621 HB3 GLN 76 HB3 GLN 76 -6.982 4.667 3.922 622 HG2 GLN 76 HG2 GLN 76 -5.878 3.933 1.222 623 HG3 GLN 76 HG3 GLN 76 -5.677 5.480 2.041 624 HE21 GLN 76 HE21 GLN 76 -4.746 2.140 1.965 625 HE22 GLN 76 HE22 GLN 76 -3.403 2.281 3.039 626 H ARG 77 H ARG 77 -9.811 2.337 2.661 627 HA ARG 77 HA ARG 77 -11.005 3.079 5.096 628 HB2 ARG 77 HB2 ARG 77 -12.057 1.338 2.859 629 HB3 ARG 77 HB3 ARG 77 -13.033 1.928 4.197 630 HG2 ARG 77 HG2 ARG 77 -11.533 3.769 2.360 631 HG3 ARG 77 HG3 ARG 77 -13.179 3.221 2.034 632 HD2 ARG 77 HD2 ARG 77 -12.378 4.558 4.607 633 HD3 ARG 77 HD3 ARG 77 -12.954 5.455 3.203 634 HE ARG 77 HE ARG 77 -15.024 4.067 3.389 635 HH11 ARG 77 1HH1 ARG 77 -12.993 4.588 6.202 636 HH12 ARG 77 2HH1 ARG 77 -14.311 4.444 7.329 637 HH21 ARG 77 1HH2 ARG 77 -16.746 3.842 4.878 638 HH22 ARG 77 2HH2 ARG 77 -16.431 3.993 6.584 639 H LEU 78 H LEU 78 -10.884 -0.254 3.726 640 HA LEU 78 HA LEU 78 -11.481 -1.421 6.254 641 HB2 LEU 78 HB2 LEU 78 -9.929 -3.070 4.370 642 HB3 LEU 78 HB3 LEU 78 -11.395 -3.442 5.258 643 HG LEU 78 HG LEU 78 -12.396 -1.685 3.492 644 HD11 LEU 78 HD11 LEU 78 -11.409 -2.112 1.299 645 HD12 LEU 78 HD12 LEU 78 -10.122 -3.049 2.058 646 HD13 LEU 78 HD13 LEU 78 -10.259 -1.320 2.378 647 HD21 LEU 78 HD21 LEU 78 -11.889 -4.614 3.028 648 HD22 LEU 78 HD22 LEU 78 -13.105 -3.639 2.204 649 HD23 LEU 78 HD23 LEU 78 -13.224 -3.916 3.941 650 H LEU 79 H LEU 79 -8.485 -0.528 4.700 651 HA LEU 79 HA LEU 79 -6.621 -1.952 6.179 652 HB2 LEU 79 HB2 LEU 79 -6.120 -0.499 4.235 653 HB3 LEU 79 HB3 LEU 79 -6.431 0.913 5.218 654 HG LEU 79 HG LEU 79 -3.994 0.232 4.740 655 HD11 LEU 79 HD11 LEU 79 -4.651 1.982 6.300 656 HD12 LEU 79 HD12 LEU 79 -3.263 1.069 6.901 657 HD13 LEU 79 HD13 LEU 79 -4.870 0.776 7.569 658 HD21 LEU 79 HD21 LEU 79 -4.208 -2.124 5.301 659 HD22 LEU 79 HD22 LEU 79 -4.641 -1.703 6.958 660 HD23 LEU 79 HD23 LEU 79 -3.027 -1.336 6.346 661 H LYS 80 H LYS 80 -8.193 1.116 6.939 662 HA LYS 80 HA LYS 80 -6.898 1.359 9.477 663 HB2 LYS 80 HB2 LYS 80 -8.782 2.917 7.884 664 HB3 LYS 80 HB3 LYS 80 -9.112 2.988 9.611 665 HG2 LYS 80 HG2 LYS 80 -6.464 3.607 8.317 666 HG3 LYS 80 HG3 LYS 80 -7.642 4.801 8.867 667 HD2 LYS 80 HD2 LYS 80 -6.254 2.764 10.612 668 HD3 LYS 80 HD3 LYS 80 -5.844 4.477 10.505 669 HE2 LYS 80 HE2 LYS 80 -8.543 3.423 11.348 670 HE3 LYS 80 HE3 LYS 80 -7.263 3.884 12.470 671 HZ1 LYS 80 HZ1 LYS 80 -7.414 6.118 11.841 672 HZ2 LYS 80 HZ2 LYS 80 -9.029 5.612 11.961 673 HZ3 LYS 80 HZ3 LYS 80 -8.301 5.773 10.437 674 H LEU 81 H LEU 81 -9.770 -0.174 8.313 675 HA LEU 81 HA LEU 81 -11.096 -0.283 10.836 676 HB2 LEU 81 HB2 LEU 81 -11.530 -1.908 8.334 677 HB3 LEU 81 HB3 LEU 81 -12.585 -1.921 9.735 678 HG LEU 81 HG LEU 81 -12.037 0.460 7.963 679 HD11 LEU 81 HD11 LEU 81 -14.452 -1.313 8.252 680 HD12 LEU 81 HD12 LEU 81 -13.419 -1.143 6.832 681 HD13 LEU 81 HD13 LEU 81 -14.420 0.208 7.362 682 HD21 LEU 81 HD21 LEU 81 -13.772 1.584 9.253 683 HD22 LEU 81 HD22 LEU 81 -12.420 1.116 10.283 684 HD23 LEU 81 HD23 LEU 81 -13.912 0.176 10.306 685 H LEU 82 H LEU 82 -8.879 -2.428 9.122 686 HA LEU 82 HA LEU 82 -9.164 -4.457 11.161 687 HB2 LEU 82 HB2 LEU 82 -7.263 -5.568 9.950 688 HB3 LEU 82 HB3 LEU 82 -8.737 -5.340 9.037 689 HG LEU 82 HG LEU 82 -7.335 -3.108 8.339 690 HD11 LEU 82 HD11 LEU 82 -5.355 -5.351 8.689 691 HD12 LEU 82 HD12 LEU 82 -5.300 -3.755 9.442 692 HD13 LEU 82 HD13 LEU 82 -5.085 -3.920 7.695 693 HD21 LEU 82 HD21 LEU 82 -6.801 -4.429 6.269 694 HD22 LEU 82 HD22 LEU 82 -8.493 -4.414 6.769 695 HD23 LEU 82 HD23 LEU 82 -7.488 -5.830 7.091 696 H GLU 83 H GLU 83 -7.204 -1.685 10.626 697 HA GLU 83 HA GLU 83 -5.175 -2.450 12.536 698 HB2 GLU 83 HB2 GLU 83 -5.754 0.102 11.042 699 HB3 GLU 83 HB3 GLU 83 -4.510 0.008 12.281 700 HG2 GLU 83 HG2 GLU 83 -4.619 -1.682 9.796 701 HG3 GLU 83 HG3 GLU 83 -3.614 -0.250 10.018 702 H ASP 84 H ASP 84 -8.064 -0.436 12.484 703 HA ASP 84 HA ASP 84 -7.655 0.364 15.258 704 HB2 ASP 84 HB2 ASP 84 -8.497 1.999 13.588 705 HB3 ASP 84 HB3 ASP 84 -9.935 1.012 13.371 706 H LYS 85 H LYS 85 -9.050 -2.131 13.530 707 HA LYS 85 HA LYS 85 -10.246 -3.962 14.089 708 HB2 LYS 85 HB2 LYS 85 -9.774 -2.968 16.904 709 HB3 LYS 85 HB3 LYS 85 -10.433 -4.549 16.499 710 HG2 LYS 85 HG2 LYS 85 -7.721 -3.542 15.656 711 HG3 LYS 85 HG3 LYS 85 -8.029 -4.615 17.027 712 HD2 LYS 85 HD2 LYS 85 -8.713 -5.228 14.152 713 HD3 LYS 85 HD3 LYS 85 -7.290 -5.830 15.002 714 HE2 LYS 85 HE2 LYS 85 -10.142 -6.341 15.839 715 HE3 LYS 85 HE3 LYS 85 -9.154 -7.462 14.907 716 HZ1 LYS 85 HZ1 LYS 85 -8.463 -6.475 17.625 717 HZ2 LYS 85 HZ2 LYS 85 -7.637 -7.662 16.734 718 HZ3 LYS 85 HZ3 LYS 85 -9.210 -7.963 17.298 719 H SER 86 H SER 86 -11.588 -1.580 13.400 720 HA SER 86 HA SER 86 -13.876 -1.188 15.054 721 HB2 SER 86 HB2 SER 86 -13.573 -0.536 12.117 722 HB3 SER 86 HB3 SER 86 -14.679 0.212 13.270 723 HG SER 86 HG SER 86 -12.449 0.629 14.391 724 H ASN 87 H ASN 87 -15.862 -2.131 14.957 725 HA ASN 87 HA ASN 87 -16.015 -4.741 13.841 726 HB2 ASN 87 HB2 ASN 87 -18.208 -4.869 14.811 727 HB3 ASN 87 HB3 ASN 87 -17.146 -4.055 15.949 728 HD21 ASN 87 HD21 ASN 87 -17.400 -1.803 16.271 729 HD22 ASN 87 HD22 ASN 87 -18.889 -1.008 15.860 730 H LEU 88 H LEU 88 -16.325 -1.884 12.267 731 HA LEU 88 HA LEU 88 -18.694 -2.225 10.784 732 HB2 LEU 88 HB2 LEU 88 -16.183 -0.683 10.164 733 HB3 LEU 88 HB3 LEU 88 -17.607 -0.647 9.143 734 HG LEU 88 HG LEU 88 -17.828 1.275 10.415 735 HD11 LEU 88 HD11 LEU 88 -19.326 -0.837 11.957 736 HD12 LEU 88 HD12 LEU 88 -19.868 -0.046 10.474 737 HD13 LEU 88 HD13 LEU 88 -19.681 0.894 11.956 738 HD21 LEU 88 HD21 LEU 88 -17.461 1.383 12.850 739 HD22 LEU 88 HD22 LEU 88 -16.009 0.925 11.963 740 HD23 LEU 88 HD23 LEU 88 -16.938 -0.302 12.823 741 H LEU 89 H LEU 89 -15.369 -3.290 10.198 742 HA LEU 89 HA LEU 89 -16.342 -4.730 7.821 743 HB2 LEU 89 HB2 LEU 89 -14.428 -3.458 7.270 744 HB3 LEU 89 HB3 LEU 89 -13.570 -3.944 8.715 745 HG LEU 89 HG LEU 89 -13.636 -6.304 7.758 746 HD11 LEU 89 HD11 LEU 89 -15.346 -5.837 6.062 747 HD12 LEU 89 HD12 LEU 89 -13.880 -6.565 5.405 748 HD13 LEU 89 HD13 LEU 89 -14.174 -4.841 5.199 749 HD21 LEU 89 HD21 LEU 89 -11.654 -5.882 6.381 750 HD22 LEU 89 HD22 LEU 89 -11.619 -5.009 7.912 751 HD23 LEU 89 HD23 LEU 89 -12.019 -4.157 6.419 752 H LEU 90 H LEU 90 -15.635 -5.161 11.050 753 HA LEU 90 HA LEU 90 -14.779 -7.953 10.683 754 HB2 LEU 90 HB2 LEU 90 -14.248 -6.224 13.082 755 HB3 LEU 90 HB3 LEU 90 -13.462 -7.729 12.642 756 HG LEU 90 HG LEU 90 -13.221 -5.239 10.966 757 HD11 LEU 90 HD11 LEU 90 -12.392 -4.655 13.126 758 HD12 LEU 90 HD12 LEU 90 -11.021 -4.931 12.051 759 HD13 LEU 90 HD13 LEU 90 -11.474 -6.159 13.234 760 HD21 LEU 90 HD21 LEU 90 -11.232 -6.335 10.106 761 HD22 LEU 90 HD22 LEU 90 -12.659 -7.346 9.867 762 HD23 LEU 90 HD23 LEU 90 -11.521 -7.720 11.163 763 H TYR 91 H TYR 91 -17.606 -6.741 11.132 764 HA TYR 91 HA TYR 91 -18.413 -7.513 13.723 765 HB2 TYR 91 HB2 TYR 91 -20.705 -7.317 12.913 766 HB3 TYR 91 HB3 TYR 91 -19.732 -5.958 12.369 767 HD1 TYR 91 HD2 TYR 91 -21.095 -9.251 11.234 768 HD2 TYR 91 HD1 TYR 91 -19.674 -5.388 10.112 769 HE1 TYR 91 HE2 TYR 91 -21.817 -9.655 8.923 770 HE2 TYR 91 HE1 TYR 91 -20.390 -5.791 7.798 771 HH TYR 91 HH TYR 91 -22.483 -8.259 6.924 772 H SER 92 H SER 92 -20.029 -9.187 14.207 773 HA SER 92 HA SER 92 -19.091 -11.763 13.313 774 HB2 SER 92 HB2 SER 92 -21.290 -11.036 15.267 775 HB3 SER 92 HB3 SER 92 -20.631 -12.653 15.023 776 HG SER 92 HG SER 92 -19.663 -11.633 16.807 777 H CYS 93 H CYS 93 -20.159 -13.238 12.100 778 HA CYS 93 HA CYS 93 -22.931 -12.832 11.310 779 HB2 CYS 93 HB2 CYS 93 -22.563 -12.736 9.011 780 HB3 CYS 93 HB3 CYS 93 -21.248 -11.733 9.625 781 H ASN 94 H ASN 94 -23.755 -14.778 10.131 782 HA ASN 94 HA ASN 94 -22.125 -17.153 10.760 783 HB2 ASN 94 HB2 ASN 94 -24.317 -16.970 11.987 784 HB3 ASN 94 HB3 ASN 94 -25.130 -17.085 10.430 785 HD21 ASN 94 HD21 ASN 94 -25.262 -18.851 12.733 786 HD22 ASN 94 HD22 ASN 94 -24.790 -20.416 12.164 787 H CYS 95 H CYS 95 -21.044 -16.784 8.705 788 HA CYS 95 HA CYS 95 -22.566 -17.545 6.352 789 HB2 CYS 95 HB2 CYS 95 -19.692 -16.895 6.858 790 HB3 CYS 95 HB3 CYS 95 -20.128 -17.781 5.400 791 H LYS 96 H LYS 96 -21.323 -19.101 8.970 792 HA LYS 96 HA LYS 96 -21.623 -21.716 7.982 793 HB2 LYS 96 HB2 LYS 96 -19.184 -22.367 8.267 794 HB3 LYS 96 HB3 LYS 96 -19.567 -21.443 6.823 795 HG2 LYS 96 HG2 LYS 96 -18.813 -19.392 8.039 796 HG3 LYS 96 HG3 LYS 96 -18.246 -20.444 9.336 797 HD2 LYS 96 HD2 LYS 96 -17.357 -20.611 6.462 798 HD3 LYS 96 HD3 LYS 96 -16.464 -19.797 7.746 799 HE2 LYS 96 HE2 LYS 96 -16.242 -21.899 8.948 800 HE3 LYS 96 HE3 LYS 96 -17.190 -22.724 7.707 801 HZ1 LYS 96 HZ1 LYS 96 -14.522 -21.462 7.374 802 HZ2 LYS 96 HZ2 LYS 96 -15.454 -22.063 6.089 803 HZ3 LYS 96 HZ3 LYS 96 -14.888 -23.119 7.291 804 H PHE 97 H PHE 97 -20.086 -19.567 10.273 805 HA PHE 97 HA PHE 97 -21.485 -20.708 12.484 806 HB2 PHE 97 HB2 PHE 97 -19.581 -21.455 13.782 807 HB3 PHE 97 HB3 PHE 97 -19.516 -22.281 12.230 808 HD1 PHE 97 HD1 PHE 97 -18.052 -19.553 14.227 809 HD2 PHE 97 HD2 PHE 97 -17.665 -21.991 10.766 810 HE1 PHE 97 HE1 PHE 97 -15.774 -18.723 13.916 811 HE2 PHE 97 HE2 PHE 97 -15.369 -21.169 10.444 812 HZ PHE 97 HZ PHE 97 -14.416 -19.537 12.015 813 H SER 98 H SER 98 -20.319 -19.567 14.576 814 HA SER 98 HA SER 98 -19.031 -17.071 13.846 815 HB2 SER 98 HB2 SER 98 -21.373 -17.046 15.733 816 HB3 SER 98 HB3 SER 98 -20.455 -15.670 15.116 817 HG SER 98 HG SER 98 -21.235 -16.669 12.959 818 H LYS 99 H LYS 99 -18.557 -15.863 15.994 819 HA LYS 99 HA LYS 99 -16.666 -17.286 17.439 820 HB2 LYS 99 HB2 LYS 99 -18.176 -14.943 18.553 821 HB3 LYS 99 HB3 LYS 99 -16.477 -15.336 18.759 822 HG2 LYS 99 HG2 LYS 99 -17.670 -14.537 16.133 823 HG3 LYS 99 HG3 LYS 99 -16.994 -13.383 17.283 824 HD2 LYS 99 HD2 LYS 99 -14.849 -14.575 17.181 825 HD3 LYS 99 HD3 LYS 99 -15.540 -15.680 15.987 826 HE2 LYS 99 HE2 LYS 99 -15.781 -13.985 14.397 827 HE3 LYS 99 HE3 LYS 99 -15.545 -12.716 15.597 828 HZ1 LYS 99 HZ1 LYS 99 -13.490 -14.603 14.582 829 HZ2 LYS 99 HZ2 LYS 99 -13.240 -13.510 15.856 830 HZ3 LYS 99 HZ3 LYS 99 -13.571 -12.929 14.298 831 H LYS 100 H LYS 100 -19.657 -15.958 18.714 832 HA LYS 100 HA LYS 100 -20.788 -18.108 19.986 833 HB2 LYS 100 HB2 LYS 100 -20.040 -18.130 22.220 834 HB3 LYS 100 HB3 LYS 100 -18.551 -18.021 21.301 835 HG2 LYS 100 HG2 LYS 100 -19.934 -15.675 22.590 836 HG3 LYS 100 HG3 LYS 100 -18.608 -16.581 23.315 837 HD2 LYS 100 HD2 LYS 100 -18.416 -15.197 20.647 838 HD3 LYS 100 HD3 LYS 100 -17.963 -14.437 22.173 839 HE2 LYS 100 HE2 LYS 100 -16.785 -17.010 21.142 840 HE3 LYS 100 HE3 LYS 100 -16.067 -15.418 20.896 841 HZ1 LYS 100 HZ1 LYS 100 -16.000 -15.171 23.334 842 HZ2 LYS 100 HZ2 LYS 100 -15.033 -16.442 22.773 843 HZ3 LYS 100 HZ3 LYS 100 -16.529 -16.774 23.502 844 H LYS 101 H LYS 101 -19.940 -14.780 19.902 845 HA LYS 101 HA LYS 101 -22.394 -13.853 21.105 846 HB2 LYS 101 HB2 LYS 101 -19.814 -12.733 20.348 847 HB3 LYS 101 HB3 LYS 101 -21.150 -11.700 19.853 848 HG2 LYS 101 HG2 LYS 101 -20.417 -10.993 22.003 849 HG3 LYS 101 HG3 LYS 101 -21.987 -11.773 22.196 850 HD2 LYS 101 HD2 LYS 101 -20.888 -13.815 22.948 851 HD3 LYS 101 HD3 LYS 101 -19.309 -13.057 22.720 852 HE2 LYS 101 HE2 LYS 101 -21.456 -12.134 24.629 853 HE3 LYS 101 HE3 LYS 101 -19.993 -13.016 25.068 854 HZ1 LYS 101 HZ1 LYS 101 -18.653 -11.180 24.391 855 HZ2 LYS 101 HZ2 LYS 101 -19.855 -10.579 25.424 856 HZ3 LYS 101 HZ3 LYS 101 -19.986 -10.351 23.746 Start of MODEL 11 1 H MET 1 H MET 1 5.394 -7.650 5.470 2 HA MET 1 HA MET 1 5.820 -4.794 6.118 3 HB2 MET 1 HB2 MET 1 6.167 -6.212 3.465 4 HB3 MET 1 HB3 MET 1 6.402 -4.496 3.770 5 HG2 MET 1 HG2 MET 1 8.058 -6.764 4.848 6 HG3 MET 1 HG3 MET 1 8.530 -5.599 3.614 7 HE1 MET 1 HE1 MET 1 10.818 -4.657 6.660 8 HE2 MET 1 HE2 MET 1 10.779 -5.095 4.952 9 HE3 MET 1 HE3 MET 1 10.300 -6.272 6.176 10 H LYS 2 H LYS 2 4.270 -3.405 5.047 11 HA LYS 2 HA LYS 2 1.704 -4.684 4.724 12 HB2 LYS 2 HB2 LYS 2 0.728 -2.552 4.680 13 HB3 LYS 2 HB3 LYS 2 2.056 -2.408 5.812 14 HG2 LYS 2 HG2 LYS 2 2.091 -1.454 2.958 15 HG3 LYS 2 HG3 LYS 2 1.807 -0.446 4.372 16 HD2 LYS 2 HD2 LYS 2 4.082 -1.197 5.198 17 HD3 LYS 2 HD3 LYS 2 4.335 -1.882 3.593 18 HE2 LYS 2 HE2 LYS 2 3.900 1.006 4.327 19 HE3 LYS 2 HE3 LYS 2 5.329 0.279 3.595 20 HZ1 LYS 2 HZ1 LYS 2 3.942 -0.226 1.623 21 HZ2 LYS 2 HZ2 LYS 2 4.107 1.435 1.920 22 HZ3 LYS 2 HZ3 LYS 2 2.666 0.642 2.331 23 H GLY 3 H GLY 3 0.742 -5.262 2.882 24 HA2 GLY 3 HA2 GLY 3 2.155 -4.571 0.389 25 HA3 GLY 3 HA3 GLY 3 1.586 -6.199 0.727 26 H ASP 4 H ASP 4 -0.673 -6.609 0.748 27 HA ASP 4 HA ASP 4 -2.213 -4.560 -0.697 28 HB2 ASP 4 HB2 ASP 4 -3.303 -6.262 -2.004 29 HB3 ASP 4 HB3 ASP 4 -1.564 -6.467 -2.157 30 H ILE 5 H ILE 5 -4.208 -4.141 -0.071 31 HA ILE 5 HA ILE 5 -4.839 -4.742 2.631 32 HB ILE 5 HB ILE 5 -5.422 -2.694 0.931 33 HG12 ILE 5 HG12 ILE 5 -5.325 -2.472 3.326 34 HG13 ILE 5 HG13 ILE 5 -6.844 -1.797 2.753 35 HG21 ILE 5 HG21 ILE 5 -7.895 -2.569 0.764 36 HG22 ILE 5 HG22 ILE 5 -7.966 -4.271 1.224 37 HG23 ILE 5 HG23 ILE 5 -7.156 -3.791 -0.271 38 HD11 ILE 5 HD11 ILE 5 -7.064 -3.082 4.833 39 HD12 ILE 5 HD12 ILE 5 -6.531 -4.526 3.970 40 HD13 ILE 5 HD13 ILE 5 -8.040 -3.735 3.515 41 H GLU 6 H GLU 6 -5.696 -6.139 -0.391 42 HA GLU 6 HA GLU 6 -8.192 -7.255 0.372 43 HB2 GLU 6 HB2 GLU 6 -6.255 -7.978 -1.824 44 HB3 GLU 6 HB3 GLU 6 -7.809 -8.773 -1.609 45 HG2 GLU 6 HG2 GLU 6 -8.060 -7.121 -3.298 46 HG3 GLU 6 HG3 GLU 6 -8.906 -6.552 -1.862 47 H HIS 7 H HIS 7 -4.872 -8.489 0.298 48 HA HIS 7 HA HIS 7 -5.359 -11.059 1.261 49 HB2 HIS 7 HB2 HIS 7 -3.149 -10.101 0.434 50 HB3 HIS 7 HB3 HIS 7 -2.973 -9.368 2.024 51 HD1 HIS 7 HD1 HIS 7 -1.509 -10.740 3.517 52 HD2 HIS 7 HD2 HIS 7 -3.617 -13.074 0.794 53 HE1 HIS 7 HE1 HIS 7 -0.794 -13.130 3.923 54 H LYS 8 H LYS 8 -4.945 -7.990 2.957 55 HA LYS 8 HA LYS 8 -4.983 -8.979 5.588 56 HB2 LYS 8 HB2 LYS 8 -6.259 -6.377 4.760 57 HB3 LYS 8 HB3 LYS 8 -5.509 -6.770 6.300 58 HG2 LYS 8 HG2 LYS 8 -4.151 -6.323 3.661 59 HG3 LYS 8 HG3 LYS 8 -4.051 -5.327 5.111 60 HD2 LYS 8 HD2 LYS 8 -2.969 -7.192 6.294 61 HD3 LYS 8 HD3 LYS 8 -3.031 -8.147 4.808 62 HE2 LYS 8 HE2 LYS 8 -1.611 -6.565 3.679 63 HE3 LYS 8 HE3 LYS 8 -1.629 -5.497 5.087 64 HZ1 LYS 8 HZ1 LYS 8 0.400 -6.737 5.093 65 HZ2 LYS 8 HZ2 LYS 8 -0.422 -8.210 4.934 66 HZ3 LYS 8 HZ3 LYS 8 -0.561 -7.311 6.362 67 H VAL 9 H VAL 9 -7.679 -7.734 3.612 68 HA VAL 9 HA VAL 9 -9.744 -8.202 5.416 69 HB VAL 9 HB VAL 9 -9.931 -8.478 2.411 70 HG11 VAL 9 HG11 VAL 9 -11.895 -9.337 3.548 71 HG12 VAL 9 HG12 VAL 9 -12.284 -7.811 2.754 72 HG13 VAL 9 HG13 VAL 9 -12.021 -7.857 4.496 73 HG21 VAL 9 HG21 VAL 9 -10.525 -6.116 2.385 74 HG22 VAL 9 HG22 VAL 9 -8.909 -6.348 3.052 75 HG23 VAL 9 HG23 VAL 9 -10.268 -6.021 4.127 76 H TYR 10 H TYR 10 -8.336 -10.360 2.991 77 HA TYR 10 HA TYR 10 -10.102 -12.517 3.417 78 HB2 TYR 10 HB2 TYR 10 -7.231 -12.540 2.475 79 HB3 TYR 10 HB3 TYR 10 -8.312 -13.918 2.397 80 HD1 TYR 10 HD2 TYR 10 -10.446 -11.344 1.684 81 HD2 TYR 10 HD1 TYR 10 -7.096 -13.330 -0.027 82 HE1 TYR 10 HE2 TYR 10 -11.183 -10.647 -0.556 83 HE2 TYR 10 HE1 TYR 10 -7.823 -12.638 -2.269 84 HH TYR 10 HH TYR 10 -9.884 -11.979 -3.409 85 H GLN 11 H GLN 11 -6.951 -11.693 4.795 86 HA GLN 11 HA GLN 11 -6.371 -14.008 6.136 87 HB2 GLN 11 HB2 GLN 11 -5.671 -11.168 6.749 88 HB3 GLN 11 HB3 GLN 11 -5.099 -12.488 7.762 89 HG2 GLN 11 HG2 GLN 11 -4.487 -11.956 4.876 90 HG3 GLN 11 HG3 GLN 11 -3.371 -12.010 6.237 91 HE21 GLN 11 HE21 GLN 11 -5.173 -13.846 3.932 92 HE22 GLN 11 HE22 GLN 11 -4.439 -15.376 4.262 93 H LEU 12 H LEU 12 -8.256 -11.293 7.380 94 HA LEU 12 HA LEU 12 -8.585 -12.727 9.882 95 HB2 LEU 12 HB2 LEU 12 -10.046 -10.504 10.268 96 HB3 LEU 12 HB3 LEU 12 -8.338 -10.638 10.601 97 HG LEU 12 HG LEU 12 -8.041 -9.764 8.175 98 HD11 LEU 12 HD11 LEU 12 -10.823 -8.789 8.795 99 HD12 LEU 12 HD12 LEU 12 -10.381 -9.933 7.525 100 HD13 LEU 12 HD13 LEU 12 -9.812 -8.265 7.448 101 HD21 LEU 12 HD21 LEU 12 -8.099 -7.461 9.009 102 HD22 LEU 12 HD22 LEU 12 -7.348 -8.566 10.160 103 HD23 LEU 12 HD23 LEU 12 -8.999 -8.005 10.426 104 H LEU 13 H LEU 13 -10.629 -11.535 7.231 105 HA LEU 13 HA LEU 13 -13.064 -12.187 8.476 106 HB2 LEU 13 HB2 LEU 13 -12.332 -11.852 5.587 107 HB3 LEU 13 HB3 LEU 13 -13.964 -12.237 6.099 108 HG LEU 13 HG LEU 13 -12.395 -9.738 6.700 109 HD11 LEU 13 HD11 LEU 13 -13.494 -9.859 4.526 110 HD12 LEU 13 HD12 LEU 13 -14.272 -8.667 5.568 111 HD13 LEU 13 HD13 LEU 13 -15.024 -10.242 5.315 112 HD21 LEU 13 HD21 LEU 13 -13.547 -10.444 8.728 113 HD22 LEU 13 HD22 LEU 13 -15.050 -10.623 7.824 114 HD23 LEU 13 HD23 LEU 13 -14.330 -9.026 8.026 115 H LYS 14 H LYS 14 -11.085 -14.081 6.212 116 HA LYS 14 HA LYS 14 -12.860 -16.267 6.087 117 HB2 LYS 14 HB2 LYS 14 -11.119 -17.506 5.049 118 HB3 LYS 14 HB3 LYS 14 -10.926 -15.842 4.523 119 HG2 LYS 14 HG2 LYS 14 -8.755 -16.463 4.949 120 HG3 LYS 14 HG3 LYS 14 -9.211 -15.694 6.468 121 HD2 LYS 14 HD2 LYS 14 -9.707 -17.936 7.404 122 HD3 LYS 14 HD3 LYS 14 -9.130 -18.657 5.900 123 HE2 LYS 14 HE2 LYS 14 -6.923 -17.777 6.262 124 HE3 LYS 14 HE3 LYS 14 -7.473 -16.858 7.661 125 HZ1 LYS 14 HZ1 LYS 14 -7.802 -18.844 8.884 126 HZ2 LYS 14 HZ2 LYS 14 -6.268 -18.974 8.175 127 HZ3 LYS 14 HZ3 LYS 14 -7.583 -19.821 7.518 128 H ASP 15 H ASP 15 -10.556 -15.269 8.453 129 HA ASP 15 HA ASP 15 -10.318 -17.807 9.762 130 HB2 ASP 15 HB2 ASP 15 -8.624 -15.910 9.809 131 HB3 ASP 15 HB3 ASP 15 -9.696 -15.104 10.946 132 H GLN 16 H GLN 16 -12.266 -14.927 10.122 133 HA GLN 16 HA GLN 16 -13.580 -15.759 12.537 134 HB2 GLN 16 HB2 GLN 16 -14.801 -13.825 10.592 135 HB3 GLN 16 HB3 GLN 16 -14.884 -13.830 12.346 136 HG2 GLN 16 HG2 GLN 16 -12.299 -13.437 12.085 137 HG3 GLN 16 HG3 GLN 16 -12.801 -12.800 10.530 138 HE21 GLN 16 HE21 GLN 16 -12.338 -10.724 10.952 139 HE22 GLN 16 HE22 GLN 16 -13.189 -9.750 12.096 140 H GLY 17 H GLY 17 -13.643 -16.926 9.485 141 HA2 GLY 17 HA2 GLY 17 -14.983 -18.654 8.699 142 HA3 GLY 17 HA3 GLY 17 -16.154 -18.284 9.960 143 H CYS 18 H CYS 18 -14.717 -16.082 7.576 144 HA CYS 18 HA CYS 18 -17.381 -16.020 6.316 145 HB2 CYS 18 HB2 CYS 18 -16.538 -13.904 7.566 146 HB3 CYS 18 HB3 CYS 18 -15.490 -13.695 6.163 147 H GLU 19 H GLU 19 -17.473 -16.481 4.188 148 HA GLU 19 HA GLU 19 -14.998 -16.065 2.609 149 HB2 GLU 19 HB2 GLU 19 -15.559 -17.911 1.200 150 HB3 GLU 19 HB3 GLU 19 -15.706 -18.479 2.858 151 HG2 GLU 19 HG2 GLU 19 -18.025 -17.569 1.179 152 HG3 GLU 19 HG3 GLU 19 -17.518 -19.244 1.342 153 H ASP 20 H ASP 20 -17.960 -14.902 3.254 154 HA ASP 20 HA ASP 20 -18.770 -14.319 0.536 155 HB2 ASP 20 HB2 ASP 20 -20.490 -15.137 2.060 156 HB3 ASP 20 HB3 ASP 20 -20.155 -13.822 3.179 157 H PHE 21 H PHE 21 -17.028 -12.917 0.115 158 HA PHE 21 HA PHE 21 -17.728 -10.175 0.381 159 HB2 PHE 21 HB2 PHE 21 -15.511 -9.490 1.452 160 HB3 PHE 21 HB3 PHE 21 -16.727 -10.169 2.525 161 HD1 PHE 21 HD1 PHE 21 -13.479 -10.766 0.901 162 HD2 PHE 21 HD2 PHE 21 -16.389 -12.268 3.615 163 HE1 PHE 21 HE1 PHE 21 -11.856 -12.413 1.738 164 HE2 PHE 21 HE2 PHE 21 -14.782 -13.909 4.443 165 HZ PHE 21 HZ PHE 21 -12.502 -13.986 3.524 166 H GLY 22 H GLY 22 -16.206 -8.764 -0.801 167 HA2 GLY 22 HA2 GLY 22 -13.988 -9.643 -2.228 168 HA3 GLY 22 HA3 GLY 22 -15.392 -9.971 -3.233 169 H THR 23 H THR 23 -13.485 -8.256 -4.141 170 HA THR 23 HA THR 23 -14.434 -5.541 -3.631 171 HB THR 23 HB THR 23 -12.544 -4.980 -5.286 172 HG1 THR 23 HG1 THR 23 -11.589 -7.563 -4.581 173 HG21 THR 23 HG21 THR 23 -11.837 -6.312 -2.673 174 HG22 THR 23 HG22 THR 23 -12.376 -4.643 -2.863 175 HG23 THR 23 HG23 THR 23 -10.838 -5.158 -3.557 176 H LYS 24 H LYS 24 -15.291 -4.198 -5.239 177 HA LYS 24 HA LYS 24 -15.595 -5.375 -7.908 178 HB2 LYS 24 HB2 LYS 24 -17.848 -4.621 -8.159 179 HB3 LYS 24 HB3 LYS 24 -17.770 -5.528 -6.660 180 HG2 LYS 24 HG2 LYS 24 -19.047 -3.765 -5.993 181 HG3 LYS 24 HG3 LYS 24 -17.450 -3.116 -5.621 182 HD2 LYS 24 HD2 LYS 24 -17.485 -1.644 -7.380 183 HD3 LYS 24 HD3 LYS 24 -18.579 -2.644 -8.337 184 HE2 LYS 24 HE2 LYS 24 -19.408 -1.178 -5.837 185 HE3 LYS 24 HE3 LYS 24 -19.570 -0.512 -7.461 186 HZ1 LYS 24 HZ1 LYS 24 -21.004 -2.333 -8.062 187 HZ2 LYS 24 HZ2 LYS 24 -21.623 -1.563 -6.680 188 HZ3 LYS 24 HZ3 LYS 24 -20.814 -3.047 -6.538 189 H CYS 25 H CYS 25 -15.393 -3.956 -9.606 190 HA CYS 25 HA CYS 25 -14.883 -1.153 -8.919 191 HB2 CYS 25 HB2 CYS 25 -13.004 -1.154 -10.574 192 HB3 CYS 25 HB3 CYS 25 -12.692 -2.121 -9.137 193 HG CYS 25 HG CYS 25 -13.795 -3.503 -12.057 194 H VAL 26 H VAL 26 -16.771 -0.431 -9.749 195 HA VAL 26 HA VAL 26 -17.268 -0.973 -12.598 196 HB VAL 26 HB VAL 26 -19.097 -1.706 -11.103 197 HG11 VAL 26 HG11 VAL 26 -20.481 -0.015 -9.955 198 HG12 VAL 26 HG12 VAL 26 -19.273 1.208 -10.355 199 HG13 VAL 26 HG13 VAL 26 -18.850 -0.137 -9.294 200 HG21 VAL 26 HG21 VAL 26 -20.926 -0.627 -12.291 201 HG22 VAL 26 HG22 VAL 26 -19.595 -1.000 -13.387 202 HG23 VAL 26 HG23 VAL 26 -19.837 0.654 -12.825 203 H ILE 27 H ILE 27 -17.541 0.774 -13.989 204 HA ILE 27 HA ILE 27 -16.474 3.264 -13.011 205 HB ILE 27 HB ILE 27 -17.443 2.460 -15.752 206 HG12 ILE 27 HG12 ILE 27 -14.689 3.055 -14.642 207 HG13 ILE 27 HG13 ILE 27 -15.323 1.452 -15.014 208 HG21 ILE 27 HG21 ILE 27 -16.202 5.069 -14.874 209 HG22 ILE 27 HG22 ILE 27 -17.871 4.837 -15.396 210 HG23 ILE 27 HG23 ILE 27 -16.548 4.602 -16.541 211 HD11 ILE 27 HD11 ILE 27 -13.842 2.214 -16.762 212 HD12 ILE 27 HD12 ILE 27 -14.820 3.666 -16.984 213 HD13 ILE 27 HD13 ILE 27 -15.491 2.082 -17.371 214 H GLU 28 H GLU 28 -17.568 4.874 -12.260 215 HA GLU 28 HA GLU 28 -20.420 5.099 -12.929 216 HB2 GLU 28 HB2 GLU 28 -18.926 6.112 -10.505 217 HB3 GLU 28 HB3 GLU 28 -20.626 6.435 -10.838 218 HG2 GLU 28 HG2 GLU 28 -20.893 3.892 -10.916 219 HG3 GLU 28 HG3 GLU 28 -19.309 3.833 -10.151 220 H GLU 29 H GLU 29 -20.169 6.192 -14.794 221 HA GLU 29 HA GLU 29 -18.268 8.275 -15.139 222 HB2 GLU 29 HB2 GLU 29 -19.171 8.526 -17.354 223 HB3 GLU 29 HB3 GLU 29 -19.051 6.815 -16.982 224 HG2 GLU 29 HG2 GLU 29 -21.574 8.453 -16.871 225 HG3 GLU 29 HG3 GLU 29 -21.108 7.383 -18.189 226 H VAL 30 H VAL 30 -18.587 10.462 -15.462 227 HA VAL 30 HA VAL 30 -21.084 11.509 -14.326 228 HB VAL 30 HB VAL 30 -18.309 12.710 -14.316 229 HG11 VAL 30 HG11 VAL 30 -20.881 13.904 -13.298 230 HG12 VAL 30 HG12 VAL 30 -19.971 14.460 -14.703 231 HG13 VAL 30 HG13 VAL 30 -19.267 14.584 -13.089 232 HG21 VAL 30 HG21 VAL 30 -18.536 12.557 -11.889 233 HG22 VAL 30 HG22 VAL 30 -18.701 10.972 -12.644 234 HG23 VAL 30 HG23 VAL 30 -20.133 11.833 -12.079 235 H LYS 31 H LYS 31 -22.392 12.171 -15.823 236 HA LYS 31 HA LYS 31 -21.790 12.553 -18.515 237 HB2 LYS 31 HB2 LYS 31 -24.057 13.661 -18.600 238 HB3 LYS 31 HB3 LYS 31 -24.030 12.049 -17.891 239 HG2 LYS 31 HG2 LYS 31 -24.138 12.968 -15.672 240 HG3 LYS 31 HG3 LYS 31 -24.000 14.608 -16.303 241 HD2 LYS 31 HD2 LYS 31 -26.139 14.401 -17.407 242 HD3 LYS 31 HD3 LYS 31 -26.264 12.713 -16.909 243 HE2 LYS 31 HE2 LYS 31 -27.597 14.257 -15.501 244 HE3 LYS 31 HE3 LYS 31 -26.391 13.343 -14.595 245 HZ1 LYS 31 HZ1 LYS 31 -24.952 15.281 -14.609 246 HZ2 LYS 31 HZ2 LYS 31 -26.455 15.675 -13.932 247 HZ3 LYS 31 HZ3 LYS 31 -26.085 16.157 -15.518 248 H SER 32 H SER 32 -21.542 14.349 -19.807 249 HA SER 32 HA SER 32 -20.404 16.677 -18.567 250 HB2 SER 32 HB2 SER 32 -20.250 17.418 -21.023 251 HB3 SER 32 HB3 SER 32 -19.333 15.982 -20.560 252 HG SER 32 HG SER 32 -21.671 16.197 -22.112 253 H SER 33 H SER 33 -21.158 18.863 -18.970 254 HA SER 33 HA SER 33 -23.940 19.167 -18.526 255 HB2 SER 33 HB2 SER 33 -21.928 21.261 -19.370 256 HB3 SER 33 HB3 SER 33 -23.490 21.558 -18.606 257 HG SER 33 HG SER 33 -22.448 19.979 -16.940 258 H HIS 34 H HIS 34 -21.920 19.424 -21.387 259 HA HIS 34 HA HIS 34 -24.291 20.041 -23.001 260 HB2 HIS 34 HB2 HIS 34 -22.727 20.576 -24.812 261 HB3 HIS 34 HB3 HIS 34 -22.337 21.500 -23.365 262 HD1 HIS 34 HD1 HIS 34 -20.983 18.831 -25.621 263 HD2 HIS 34 HD2 HIS 34 -19.913 20.821 -22.128 264 HE1 HIS 34 HE1 HIS 34 -18.542 18.307 -25.220 265 H LYS 35 H LYS 35 -24.422 18.849 -25.124 266 HA LYS 35 HA LYS 35 -23.988 16.019 -24.642 267 HB2 LYS 35 HB2 LYS 35 -25.395 15.591 -26.515 268 HB3 LYS 35 HB3 LYS 35 -26.146 16.891 -25.604 269 HG2 LYS 35 HG2 LYS 35 -24.391 17.444 -27.972 270 HG3 LYS 35 HG3 LYS 35 -26.103 17.069 -28.150 271 HD2 LYS 35 HD2 LYS 35 -26.711 18.979 -26.816 272 HD3 LYS 35 HD3 LYS 35 -25.017 19.308 -26.448 273 HE2 LYS 35 HE2 LYS 35 -25.896 20.803 -28.187 274 HE3 LYS 35 HE3 LYS 35 -24.577 19.797 -28.780 275 HZ1 LYS 35 HZ1 LYS 35 -26.230 18.319 -29.790 276 HZ2 LYS 35 HZ2 LYS 35 -26.354 19.903 -30.391 277 HZ3 LYS 35 HZ3 LYS 35 -27.477 19.339 -29.256 278 H THR 36 H THR 36 -23.177 14.684 -26.532 279 HA THR 36 HA THR 36 -20.699 15.916 -27.462 280 HB THR 36 HB THR 36 -20.262 13.472 -28.205 281 HG1 THR 36 HG1 THR 36 -21.529 11.939 -27.320 282 HG21 THR 36 HG21 THR 36 -20.389 14.280 -25.304 283 HG22 THR 36 HG22 THR 36 -19.044 14.536 -26.419 284 HG23 THR 36 HG23 THR 36 -19.484 12.900 -25.929 285 H LEU 37 H LEU 37 -19.998 15.746 -29.637 286 HA LEU 37 HA LEU 37 -22.225 15.618 -31.545 287 HB2 LEU 37 HB2 LEU 37 -19.590 17.080 -31.691 288 HB3 LEU 37 HB3 LEU 37 -20.698 16.955 -33.038 289 HG LEU 37 HG LEU 37 -21.056 19.086 -32.117 290 HD11 LEU 37 HD11 LEU 37 -23.119 17.966 -32.657 291 HD12 LEU 37 HD12 LEU 37 -23.349 19.005 -31.251 292 HD13 LEU 37 HD13 LEU 37 -23.193 17.261 -31.042 293 HD21 LEU 37 HD21 LEU 37 -19.893 18.764 -30.000 294 HD22 LEU 37 HD22 LEU 37 -21.246 17.809 -29.392 295 HD23 LEU 37 HD23 LEU 37 -21.467 19.521 -29.754 296 H LEU 38 H LEU 38 -19.933 13.644 -30.448 297 HA LEU 38 HA LEU 38 -19.183 12.619 -33.096 298 HB2 LEU 38 HB2 LEU 38 -17.254 11.730 -32.216 299 HB3 LEU 38 HB3 LEU 38 -17.441 13.164 -31.228 300 HG LEU 38 HG LEU 38 -18.367 10.443 -30.310 301 HD11 LEU 38 HD11 LEU 38 -16.282 10.348 -29.022 302 HD12 LEU 38 HD12 LEU 38 -15.706 11.780 -29.877 303 HD13 LEU 38 HD13 LEU 38 -16.009 10.283 -30.763 304 HD21 LEU 38 HD21 LEU 38 -18.172 11.505 -28.101 305 HD22 LEU 38 HD22 LEU 38 -19.362 12.285 -29.140 306 HD23 LEU 38 HD23 LEU 38 -17.783 13.032 -28.893 307 H ASN 39 H ASN 39 -18.659 10.027 -32.583 308 HA ASN 39 HA ASN 39 -21.099 8.745 -32.724 309 HB2 ASN 39 HB2 ASN 39 -19.107 7.688 -33.532 310 HB3 ASN 39 HB3 ASN 39 -18.387 7.693 -31.926 311 HD21 ASN 39 HD21 ASN 39 -20.932 6.338 -33.896 312 HD22 ASN 39 HD22 ASN 39 -21.136 4.885 -32.964 313 H THR 40 H THR 40 -18.893 8.270 -29.949 314 HA THR 40 HA THR 40 -21.229 7.678 -28.308 315 HB THR 40 HB THR 40 -19.434 7.037 -26.595 316 HG1 THR 40 HG1 THR 40 -17.515 6.456 -28.334 317 HG21 THR 40 HG21 THR 40 -19.024 4.866 -27.659 318 HG22 THR 40 HG22 THR 40 -19.573 5.519 -29.203 319 HG23 THR 40 HG23 THR 40 -20.701 5.372 -27.854 320 H GLU 41 H GLU 41 -18.585 8.629 -26.488 321 HA GLU 41 HA GLU 41 -19.483 11.399 -26.235 322 HB2 GLU 41 HB2 GLU 41 -18.998 10.904 -23.656 323 HB3 GLU 41 HB3 GLU 41 -20.590 10.749 -24.379 324 HG2 GLU 41 HG2 GLU 41 -20.164 8.855 -23.002 325 HG3 GLU 41 HG3 GLU 41 -20.187 8.341 -24.681 326 H LEU 42 H LEU 42 -17.108 9.631 -27.170 327 HA LEU 42 HA LEU 42 -14.865 9.885 -27.426 328 HB2 LEU 42 HB2 LEU 42 -15.522 12.283 -27.693 329 HB3 LEU 42 HB3 LEU 42 -15.227 12.515 -25.983 330 HG LEU 42 HG LEU 42 -12.847 11.914 -26.342 331 HD11 LEU 42 HD11 LEU 42 -11.976 11.878 -28.635 332 HD12 LEU 42 HD12 LEU 42 -13.630 11.916 -29.250 333 HD13 LEU 42 HD13 LEU 42 -13.067 10.530 -28.313 334 HD21 LEU 42 HD21 LEU 42 -13.891 14.187 -28.026 335 HD22 LEU 42 HD22 LEU 42 -12.229 14.004 -27.463 336 HD23 LEU 42 HD23 LEU 42 -13.534 14.244 -26.300 337 H HIS 43 H HIS 43 -16.179 8.905 -24.852 338 HA HIS 43 HA HIS 43 -15.650 8.133 -22.809 339 HB2 HIS 43 HB2 HIS 43 -13.680 7.176 -24.032 340 HB3 HIS 43 HB3 HIS 43 -12.755 8.594 -23.550 341 HD1 HIS 43 HD1 HIS 43 -14.798 5.882 -21.783 342 HD2 HIS 43 HD2 HIS 43 -11.388 8.209 -21.290 343 HE1 HIS 43 HE1 HIS 43 -13.721 5.123 -19.621 344 H LEU 44 H LEU 44 -16.642 9.818 -21.794 345 HA LEU 44 HA LEU 44 -15.259 12.300 -21.326 346 HB2 LEU 44 HB2 LEU 44 -17.356 12.795 -19.944 347 HB3 LEU 44 HB3 LEU 44 -17.515 12.636 -21.679 348 HG LEU 44 HG LEU 44 -18.297 10.264 -21.289 349 HD11 LEU 44 HD11 LEU 44 -18.525 11.210 -18.437 350 HD12 LEU 44 HD12 LEU 44 -17.421 9.966 -19.022 351 HD13 LEU 44 HD13 LEU 44 -19.164 9.700 -19.085 352 HD21 LEU 44 HD21 LEU 44 -20.553 10.973 -20.697 353 HD22 LEU 44 HD22 LEU 44 -19.797 12.093 -21.830 354 HD23 LEU 44 HD23 LEU 44 -19.918 12.514 -20.122 355 H THR 45 H THR 45 -15.838 13.123 -18.872 356 HA THR 45 HA THR 45 -13.882 11.938 -17.255 357 HB THR 45 HB THR 45 -16.161 13.632 -16.251 358 HG1 THR 45 HG1 THR 45 -15.315 15.292 -17.272 359 HG21 THR 45 HG21 THR 45 -14.513 14.412 -14.623 360 HG22 THR 45 HG22 THR 45 -13.292 13.364 -15.345 361 HG23 THR 45 HG23 THR 45 -14.696 12.660 -14.540 362 H LYS 46 H LYS 46 -14.047 9.941 -16.569 363 HA LYS 46 HA LYS 46 -16.574 9.049 -15.383 364 HB2 LYS 46 HB2 LYS 46 -16.386 7.013 -16.377 365 HB3 LYS 46 HB3 LYS 46 -15.463 7.941 -17.548 366 HG2 LYS 46 HG2 LYS 46 -14.264 6.390 -15.263 367 HG3 LYS 46 HG3 LYS 46 -14.406 5.803 -16.918 368 HD2 LYS 46 HD2 LYS 46 -12.843 7.335 -17.721 369 HD3 LYS 46 HD3 LYS 46 -12.994 8.375 -16.301 370 HE2 LYS 46 HE2 LYS 46 -11.999 6.616 -14.926 371 HE3 LYS 46 HE3 LYS 46 -11.807 5.610 -16.360 372 HZ1 LYS 46 HZ1 LYS 46 -10.394 8.124 -15.689 373 HZ2 LYS 46 HZ2 LYS 46 -10.417 7.518 -17.268 374 HZ3 LYS 46 HZ3 LYS 46 -9.731 6.601 -16.016 375 H TYR 47 H TYR 47 -16.375 7.559 -13.580 376 HA TYR 47 HA TYR 47 -13.875 7.947 -12.092 377 HB2 TYR 47 HB2 TYR 47 -16.713 8.144 -11.075 378 HB3 TYR 47 HB3 TYR 47 -15.322 7.981 -10.012 379 HD1 TYR 47 HD2 TYR 47 -16.598 10.167 -12.773 380 HD2 TYR 47 HD1 TYR 47 -14.313 9.897 -9.189 381 HE1 TYR 47 HE2 TYR 47 -16.288 12.597 -12.796 382 HE2 TYR 47 HE1 TYR 47 -13.999 12.339 -9.209 383 HH TYR 47 HH TYR 47 -14.056 14.205 -10.769 384 H TYR 48 H TYR 48 -13.000 6.188 -11.281 385 HA TYR 48 HA TYR 48 -14.236 3.621 -11.701 386 HB2 TYR 48 HB2 TYR 48 -11.591 4.583 -10.705 387 HB3 TYR 48 HB3 TYR 48 -12.099 2.952 -10.283 388 HD1 TYR 48 HD2 TYR 48 -13.005 4.543 -13.480 389 HD2 TYR 48 HD1 TYR 48 -10.361 1.856 -11.517 390 HE1 TYR 48 HE2 TYR 48 -12.223 3.721 -15.663 391 HE2 TYR 48 HE1 TYR 48 -9.578 1.027 -13.690 392 HH TYR 48 HH TYR 48 -10.307 0.901 -15.989 393 H GLY 49 H GLY 49 -15.912 3.202 -10.423 394 HA2 GLY 49 HA2 GLY 49 -15.988 4.041 -7.664 395 HA3 GLY 49 HA3 GLY 49 -17.200 3.087 -8.511 396 H PHE 50 H PHE 50 -13.969 2.903 -7.077 397 HA PHE 50 HA PHE 50 -13.985 0.045 -6.911 398 HB2 PHE 50 HB2 PHE 50 -12.194 2.235 -6.029 399 HB3 PHE 50 HB3 PHE 50 -12.113 0.740 -5.104 400 HD1 PHE 50 HD2 PHE 50 -11.538 -1.379 -6.243 401 HD2 PHE 50 HD1 PHE 50 -11.237 2.388 -8.210 402 HE1 PHE 50 HE2 PHE 50 -10.079 -2.385 -7.951 403 HE2 PHE 50 HE1 PHE 50 -9.796 1.389 -9.904 404 HZ PHE 50 HZ PHE 50 -9.200 -0.994 -9.779 405 H SER 51 H SER 51 -15.090 -1.123 -5.533 406 HA SER 51 HA SER 51 -15.760 0.017 -2.907 407 HB2 SER 51 HB2 SER 51 -17.772 -1.621 -4.412 408 HB3 SER 51 HB3 SER 51 -18.032 -0.464 -3.108 409 HG SER 51 HG SER 51 -16.931 0.540 -5.453 410 H PHE 52 H PHE 52 -15.779 -1.465 -1.235 411 HA PHE 52 HA PHE 52 -15.175 -4.239 -1.997 412 HB2 PHE 52 HB2 PHE 52 -13.562 -3.023 -0.436 413 HB3 PHE 52 HB3 PHE 52 -14.846 -3.088 0.774 414 HD1 PHE 52 HD2 PHE 52 -15.720 -5.328 1.504 415 HD2 PHE 52 HD1 PHE 52 -12.234 -4.908 -0.899 416 HE1 PHE 52 HE2 PHE 52 -15.064 -7.633 2.052 417 HE2 PHE 52 HE1 PHE 52 -11.580 -7.213 -0.358 418 HZ PHE 52 HZ PHE 52 -12.994 -8.581 1.117 419 H PHE 53 H PHE 53 -16.677 -5.696 -1.775 420 HA PHE 53 HA PHE 53 -19.118 -5.032 -0.290 421 HB2 PHE 53 HB2 PHE 53 -18.471 -6.726 -2.625 422 HB3 PHE 53 HB3 PHE 53 -19.727 -7.328 -1.558 423 HD1 PHE 53 HD2 PHE 53 -18.749 -4.493 -3.713 424 HD2 PHE 53 HD1 PHE 53 -21.864 -6.422 -1.560 425 HE1 PHE 53 HE2 PHE 53 -20.405 -3.047 -4.826 426 HE2 PHE 53 HE1 PHE 53 -23.530 -4.981 -2.665 427 HZ PHE 53 HZ PHE 53 -22.800 -3.290 -4.297 428 H ARG 54 H ARG 54 -19.649 -6.048 1.521 429 HA ARG 54 HA ARG 54 -18.738 -8.817 1.846 430 HB2 ARG 54 HB2 ARG 54 -17.420 -7.394 3.420 431 HB3 ARG 54 HB3 ARG 54 -18.933 -6.888 4.172 432 HG2 ARG 54 HG2 ARG 54 -19.426 -9.267 4.665 433 HG3 ARG 54 HG3 ARG 54 -17.845 -9.691 4.019 434 HD2 ARG 54 HD2 ARG 54 -16.793 -8.292 5.755 435 HD3 ARG 54 HD3 ARG 54 -18.393 -7.954 6.422 436 HE ARG 54 HE ARG 54 -17.673 -10.754 6.157 437 HH11 ARG 54 1HH1 ARG 54 -17.871 -7.972 8.251 438 HH12 ARG 54 2HH1 ARG 54 -17.849 -8.903 9.716 439 HH21 ARG 54 1HH2 ARG 54 -17.634 -11.989 8.123 440 HH22 ARG 54 2HH2 ARG 54 -17.715 -11.167 9.644 441 H HIS 55 H HIS 55 -20.465 -10.089 1.908 442 HA HIS 55 HA HIS 55 -22.595 -10.842 2.123 443 HB2 HIS 55 HB2 HIS 55 -22.335 -9.005 4.463 444 HB3 HIS 55 HB3 HIS 55 -23.907 -9.710 4.094 445 HD1 HIS 55 HD1 HIS 55 -24.325 -11.961 5.071 446 HD2 HIS 55 HD2 HIS 55 -20.261 -11.102 4.754 447 HE1 HIS 55 HE1 HIS 55 -23.093 -13.919 6.094 448 H GLY 56 H GLY 56 -22.031 -8.309 0.519 449 HA2 GLY 56 HA2 GLY 56 -23.537 -7.437 -1.088 450 HA3 GLY 56 HA3 GLY 56 -24.860 -7.742 0.026 451 H ASN 57 H ASN 57 -22.615 -6.385 1.937 452 HA ASN 57 HA ASN 57 -23.767 -3.716 1.546 453 HB2 ASN 57 HB2 ASN 57 -22.089 -4.708 3.857 454 HB3 ASN 57 HB3 ASN 57 -22.950 -3.176 3.769 455 HD21 ASN 57 HD21 ASN 57 -23.145 -6.534 4.293 456 HD22 ASN 57 HD22 ASN 57 -24.789 -6.590 4.848 457 H ILE 58 H ILE 58 -22.216 -1.920 2.149 458 HA ILE 58 HA ILE 58 -19.742 -2.321 0.621 459 HB ILE 58 HB ILE 58 -21.348 0.174 1.146 460 HG12 ILE 58 HG12 ILE 58 -22.044 -1.386 -0.676 461 HG13 ILE 58 HG13 ILE 58 -21.618 0.226 -1.249 462 HG21 ILE 58 HG21 ILE 58 -18.995 0.746 1.380 463 HG22 ILE 58 HG22 ILE 58 -19.640 1.405 -0.125 464 HG23 ILE 58 HG23 ILE 58 -18.634 -0.044 -0.156 465 HD11 ILE 58 HD11 ILE 58 -20.741 -1.489 -2.722 466 HD12 ILE 58 HD12 ILE 58 -19.876 -2.230 -1.373 467 HD13 ILE 58 HD13 ILE 58 -19.426 -0.620 -1.933 468 H VAL 59 H VAL 59 -18.137 -2.743 1.878 469 HA VAL 59 HA VAL 59 -17.950 -1.595 4.543 470 HB VAL 59 HB VAL 59 -16.119 -3.501 3.075 471 HG11 VAL 59 HG11 VAL 59 -16.027 -2.488 5.908 472 HG12 VAL 59 HG12 VAL 59 -14.838 -2.193 4.640 473 HG13 VAL 59 HG13 VAL 59 -15.058 -3.818 5.284 474 HG21 VAL 59 HG21 VAL 59 -18.233 -4.533 3.636 475 HG22 VAL 59 HG22 VAL 59 -18.123 -3.935 5.291 476 HG23 VAL 59 HG23 VAL 59 -16.978 -5.150 4.717 477 H ALA 60 H ALA 60 -16.436 -1.387 1.390 478 HA ALA 60 HA ALA 60 -15.138 1.105 2.245 479 HB1 ALA 60 1HB ALA 60 -13.424 -0.649 2.284 480 HB2 ALA 60 HB2 ALA 60 -13.109 0.547 1.024 481 HB3 ALA 60 HB3 ALA 60 -13.781 -1.028 0.597 482 H TYR 61 H TYR 61 -15.314 2.727 0.800 483 HA TYR 61 HA TYR 61 -15.770 2.039 -1.994 484 HB2 TYR 61 HB2 TYR 61 -18.015 2.485 -1.040 485 HB3 TYR 61 HB3 TYR 61 -17.463 4.082 -0.534 486 HD1 TYR 61 HD1 TYR 61 -18.155 1.958 -3.475 487 HD2 TYR 61 HD2 TYR 61 -17.352 5.892 -2.084 488 HE1 TYR 61 HE1 TYR 61 -18.721 2.845 -5.690 489 HE2 TYR 61 HE2 TYR 61 -17.919 6.797 -4.295 490 HH TYR 61 HH TYR 61 -19.297 4.802 -6.819 491 H GLY 62 H GLY 62 -14.606 3.224 -3.323 492 HA2 GLY 62 HA2 GLY 62 -13.946 5.970 -2.678 493 HA3 GLY 62 HA3 GLY 62 -12.572 4.872 -2.767 494 H LYS 63 H LYS 63 -14.783 6.766 -4.546 495 HA LYS 63 HA LYS 63 -13.874 5.524 -7.035 496 HB2 LYS 63 HB2 LYS 63 -15.648 6.575 -8.175 497 HB3 LYS 63 HB3 LYS 63 -16.350 6.005 -6.668 498 HG2 LYS 63 HG2 LYS 63 -16.227 8.233 -5.743 499 HG3 LYS 63 HG3 LYS 63 -15.447 8.822 -7.204 500 HD2 LYS 63 HD2 LYS 63 -17.393 8.423 -8.512 501 HD3 LYS 63 HD3 LYS 63 -18.168 7.534 -7.199 502 HE2 LYS 63 HE2 LYS 63 -17.417 10.448 -7.037 503 HE3 LYS 63 HE3 LYS 63 -19.007 9.875 -7.542 504 HZ1 LYS 63 HZ1 LYS 63 -17.725 9.339 -4.912 505 HZ2 LYS 63 HZ2 LYS 63 -19.249 8.776 -5.402 506 HZ3 LYS 63 HZ3 LYS 63 -18.986 10.437 -5.197 507 H SER 64 H SER 64 -12.986 6.803 -8.670 508 HA SER 64 HA SER 64 -12.270 9.527 -8.275 509 HB2 SER 64 HB2 SER 64 -10.659 8.426 -6.725 510 HB3 SER 64 HB3 SER 64 -10.023 7.508 -8.089 511 HG SER 64 HG SER 64 -10.147 10.328 -8.194 512 H ARG 65 H ARG 65 -10.934 10.335 -10.094 513 HA ARG 65 HA ARG 65 -11.756 9.194 -12.560 514 HB2 ARG 65 HB2 ARG 65 -9.614 11.265 -12.033 515 HB3 ARG 65 HB3 ARG 65 -10.329 10.908 -13.598 516 HG2 ARG 65 HG2 ARG 65 -12.491 11.670 -12.812 517 HG3 ARG 65 HG3 ARG 65 -11.814 11.982 -11.213 518 HD2 ARG 65 HD2 ARG 65 -11.001 13.333 -13.784 519 HD3 ARG 65 HD3 ARG 65 -11.994 14.039 -12.509 520 HE ARG 65 HE ARG 65 -9.690 13.302 -11.239 521 HH11 ARG 65 1HH1 ARG 65 -10.471 15.343 -13.982 522 HH12 ARG 65 2HH1 ARG 65 -9.077 16.361 -13.779 523 HH21 ARG 65 1HH2 ARG 65 -7.880 14.654 -10.957 524 HH22 ARG 65 2HH2 ARG 65 -7.590 15.959 -12.069 525 H LYS 66 H LYS 66 -9.032 8.727 -10.505 526 HA LYS 66 HA LYS 66 -7.676 7.139 -12.578 527 HB2 LYS 66 HB2 LYS 66 -6.641 8.388 -10.035 528 HB3 LYS 66 HB3 LYS 66 -5.724 7.204 -10.954 529 HG2 LYS 66 HG2 LYS 66 -5.847 8.741 -12.913 530 HG3 LYS 66 HG3 LYS 66 -6.591 9.940 -11.852 531 HD2 LYS 66 HD2 LYS 66 -4.628 9.881 -10.399 532 HD3 LYS 66 HD3 LYS 66 -3.879 8.678 -11.449 533 HE2 LYS 66 HE2 LYS 66 -3.937 10.303 -13.301 534 HE3 LYS 66 HE3 LYS 66 -4.620 11.500 -12.200 535 HZ1 LYS 66 HZ1 LYS 66 -2.606 11.262 -10.821 536 HZ2 LYS 66 HZ2 LYS 66 -2.280 11.851 -12.376 537 HZ3 LYS 66 HZ3 LYS 66 -1.941 10.233 -11.996 538 H VAL 67 H VAL 67 -7.319 5.015 -12.294 539 HA VAL 67 HA VAL 67 -8.871 3.505 -10.527 540 HB VAL 67 HB VAL 67 -8.126 2.509 -12.570 541 HG11 VAL 67 HG11 VAL 67 -6.073 3.757 -12.871 542 HG12 VAL 67 HG12 VAL 67 -5.787 2.025 -13.049 543 HG13 VAL 67 HG13 VAL 67 -5.318 2.850 -11.563 544 HG21 VAL 67 HG21 VAL 67 -6.852 1.198 -10.176 545 HG22 VAL 67 HG22 VAL 67 -6.952 0.436 -11.762 546 HG23 VAL 67 HG23 VAL 67 -8.424 0.851 -10.893 547 H ALA 68 H ALA 68 -5.463 4.487 -10.351 548 HA ALA 68 HA ALA 68 -4.760 2.931 -8.121 549 HB1 ALA 68 1HB ALA 68 -3.570 5.559 -8.983 550 HB2 ALA 68 HB2 ALA 68 -3.129 3.974 -9.618 551 HB3 ALA 68 HB3 ALA 68 -2.821 4.361 -7.926 552 H ASN 69 H ASN 69 -5.984 6.244 -8.340 553 HA ASN 69 HA ASN 69 -5.710 6.805 -5.569 554 HB2 ASN 69 HB2 ASN 69 -5.939 8.532 -7.398 555 HB3 ASN 69 HB3 ASN 69 -7.648 8.114 -7.480 556 HD21 ASN 69 HD21 ASN 69 -8.482 10.003 -6.770 557 HD22 ASN 69 HD22 ASN 69 -8.222 10.642 -5.175 558 H ALA 70 H ALA 70 -8.452 5.839 -7.597 559 HA ALA 70 HA ALA 70 -10.424 5.760 -5.646 560 HB1 ALA 70 1HB ALA 70 -10.109 3.942 -8.033 561 HB2 ALA 70 HB2 ALA 70 -10.846 5.546 -8.051 562 HB3 ALA 70 HB3 ALA 70 -11.603 4.237 -7.141 563 H LYS 71 H LYS 71 -8.233 3.162 -6.719 564 HA LYS 71 HA LYS 71 -9.004 1.151 -4.956 565 HB2 LYS 71 HB2 LYS 71 -6.287 1.868 -6.054 566 HB3 LYS 71 HB3 LYS 71 -6.566 0.433 -5.082 567 HG2 LYS 71 HG2 LYS 71 -8.184 -0.336 -6.741 568 HG3 LYS 71 HG3 LYS 71 -7.805 1.074 -7.728 569 HD2 LYS 71 HD2 LYS 71 -5.829 -1.042 -6.875 570 HD3 LYS 71 HD3 LYS 71 -6.593 -0.947 -8.463 571 HE2 LYS 71 HE2 LYS 71 -5.559 1.253 -8.817 572 HE3 LYS 71 HE3 LYS 71 -4.783 1.137 -7.237 573 HZ1 LYS 71 HZ1 LYS 71 -4.340 -0.757 -9.484 574 HZ2 LYS 71 HZ2 LYS 71 -3.527 -0.752 -7.995 575 HZ3 LYS 71 HZ3 LYS 71 -3.305 0.527 -9.086 576 H TYR 72 H TYR 72 -6.714 3.781 -4.551 577 HA TYR 72 HA TYR 72 -5.587 3.009 -2.158 578 HB2 TYR 72 HB2 TYR 72 -4.521 4.727 -3.376 579 HB3 TYR 72 HB3 TYR 72 -5.989 5.690 -3.468 580 HD1 TYR 72 HD2 TYR 72 -3.277 4.581 -1.200 581 HD2 TYR 72 HD1 TYR 72 -6.522 7.268 -1.814 582 HE1 TYR 72 HE2 TYR 72 -2.544 5.898 0.744 583 HE2 TYR 72 HE1 TYR 72 -5.793 8.597 0.125 584 HH TYR 72 HH TYR 72 -4.499 8.332 2.155 585 H ILE 73 H ILE 73 -8.365 5.119 -2.741 586 HA ILE 73 HA ILE 73 -8.878 5.872 -0.107 587 HB ILE 73 HB ILE 73 -10.859 5.518 -2.354 588 HG12 ILE 73 HG12 ILE 73 -9.596 8.098 -1.475 589 HG13 ILE 73 HG13 ILE 73 -8.770 7.044 -2.619 590 HG21 ILE 73 HG21 ILE 73 -11.036 7.112 0.204 591 HG22 ILE 73 HG22 ILE 73 -11.976 5.674 -0.199 592 HG23 ILE 73 HG23 ILE 73 -12.207 7.167 -1.114 593 HD11 ILE 73 HD11 ILE 73 -11.486 8.277 -2.977 594 HD12 ILE 73 HD12 ILE 73 -10.694 7.185 -4.115 595 HD13 ILE 73 HD13 ILE 73 -9.991 8.768 -3.776 596 H MET 74 H MET 74 -10.410 3.242 -1.996 597 HA MET 74 HA MET 74 -12.046 2.404 0.146 598 HB2 MET 74 HB2 MET 74 -12.562 0.448 -1.169 599 HB3 MET 74 HB3 MET 74 -12.524 1.854 -2.223 600 HG2 MET 74 HG2 MET 74 -10.571 1.188 -3.248 601 HG3 MET 74 HG3 MET 74 -10.112 0.129 -1.915 602 HE1 MET 74 HE1 MET 74 -9.458 -1.557 -3.915 603 HE2 MET 74 HE2 MET 74 -10.545 -2.946 -3.833 604 HE3 MET 74 HE3 MET 74 -9.964 -2.188 -2.349 605 H LYS 75 H LYS 75 -8.834 1.359 -0.946 606 HA LYS 75 HA LYS 75 -8.598 -0.856 0.754 607 HB2 LYS 75 HB2 LYS 75 -6.513 0.993 -0.399 608 HB3 LYS 75 HB3 LYS 75 -6.115 -0.463 0.505 609 HG2 LYS 75 HG2 LYS 75 -7.100 -1.858 -1.128 610 HG3 LYS 75 HG3 LYS 75 -7.861 -0.488 -1.938 611 HD2 LYS 75 HD2 LYS 75 -5.618 0.378 -2.490 612 HD3 LYS 75 HD3 LYS 75 -4.910 -1.072 -1.775 613 HE2 LYS 75 HE2 LYS 75 -6.920 -1.142 -4.005 614 HE3 LYS 75 HE3 LYS 75 -5.182 -1.099 -4.285 615 HZ1 LYS 75 HZ1 LYS 75 -6.717 -3.225 -2.877 616 HZ2 LYS 75 HZ2 LYS 75 -5.024 -3.158 -2.957 617 HZ3 LYS 75 HZ3 LYS 75 -5.928 -3.346 -4.375 618 H GLN 76 H GLN 76 -7.716 2.550 1.268 619 HA GLN 76 HA GLN 76 -6.647 2.192 3.859 620 HB2 GLN 76 HB2 GLN 76 -7.863 4.613 2.527 621 HB3 GLN 76 HB3 GLN 76 -7.105 4.658 4.113 622 HG2 GLN 76 HG2 GLN 76 -5.756 3.874 1.537 623 HG3 GLN 76 HG3 GLN 76 -5.592 5.420 2.367 624 HE21 GLN 76 HE21 GLN 76 -4.713 2.070 2.355 625 HE22 GLN 76 HE22 GLN 76 -3.498 2.168 3.582 626 H ARG 77 H ARG 77 -9.896 2.236 2.720 627 HA ARG 77 HA ARG 77 -11.186 2.994 5.125 628 HB2 ARG 77 HB2 ARG 77 -12.168 1.253 2.861 629 HB3 ARG 77 HB3 ARG 77 -13.179 1.837 4.172 630 HG2 ARG 77 HG2 ARG 77 -11.748 3.540 2.147 631 HG3 ARG 77 HG3 ARG 77 -13.473 3.173 2.174 632 HD2 ARG 77 HD2 ARG 77 -13.568 4.240 4.435 633 HD3 ARG 77 HD3 ARG 77 -11.900 4.755 4.200 634 HE ARG 77 HE ARG 77 -13.434 5.597 2.005 635 HH11 ARG 77 1HH1 ARG 77 -12.984 6.285 5.414 636 HH12 ARG 77 2HH1 ARG 77 -13.576 7.914 5.294 637 HH21 ARG 77 1HH2 ARG 77 -14.225 7.735 1.838 638 HH22 ARG 77 2HH2 ARG 77 -14.284 8.737 3.262 639 H LEU 78 H LEU 78 -11.019 -0.308 3.704 640 HA LEU 78 HA LEU 78 -11.665 -1.584 6.128 641 HB2 LEU 78 HB2 LEU 78 -9.869 -3.053 4.288 642 HB3 LEU 78 HB3 LEU 78 -11.335 -3.579 5.097 643 HG LEU 78 HG LEU 78 -12.359 -1.804 3.326 644 HD11 LEU 78 HD11 LEU 78 -9.995 -3.102 1.974 645 HD12 LEU 78 HD12 LEU 78 -10.200 -1.376 2.286 646 HD13 LEU 78 HD13 LEU 78 -11.282 -2.205 1.167 647 HD21 LEU 78 HD21 LEU 78 -11.760 -4.708 2.799 648 HD22 LEU 78 HD22 LEU 78 -13.024 -3.743 2.038 649 HD23 LEU 78 HD23 LEU 78 -13.103 -4.095 3.763 650 H LEU 79 H LEU 79 -8.600 -0.566 4.763 651 HA LEU 79 HA LEU 79 -6.803 -1.836 6.433 652 HB2 LEU 79 HB2 LEU 79 -6.243 -0.393 4.493 653 HB3 LEU 79 HB3 LEU 79 -6.675 1.015 5.435 654 HG LEU 79 HG LEU 79 -4.185 0.422 5.135 655 HD11 LEU 79 HD11 LEU 79 -4.976 2.167 6.624 656 HD12 LEU 79 HD12 LEU 79 -3.637 1.282 7.355 657 HD13 LEU 79 HD13 LEU 79 -5.291 0.972 7.884 658 HD21 LEU 79 HD21 LEU 79 -4.339 -1.932 5.704 659 HD22 LEU 79 HD22 LEU 79 -4.920 -1.521 7.319 660 HD23 LEU 79 HD23 LEU 79 -3.280 -1.088 6.834 661 H LYS 80 H LYS 80 -8.487 1.249 6.984 662 HA LYS 80 HA LYS 80 -7.446 1.610 9.596 663 HB2 LYS 80 HB2 LYS 80 -9.344 2.972 7.864 664 HB3 LYS 80 HB3 LYS 80 -9.871 2.973 9.542 665 HG2 LYS 80 HG2 LYS 80 -7.215 3.957 8.523 666 HG3 LYS 80 HG3 LYS 80 -8.577 4.962 9.015 667 HD2 LYS 80 HD2 LYS 80 -7.015 3.078 10.786 668 HD3 LYS 80 HD3 LYS 80 -6.903 4.839 10.783 669 HE2 LYS 80 HE2 LYS 80 -9.283 4.958 11.432 670 HE3 LYS 80 HE3 LYS 80 -9.330 3.197 11.502 671 HZ1 LYS 80 HZ1 LYS 80 -7.555 3.321 13.209 672 HZ2 LYS 80 HZ2 LYS 80 -9.014 4.036 13.697 673 HZ3 LYS 80 HZ3 LYS 80 -7.711 5.009 13.210 674 H LEU 81 H LEU 81 -10.130 -0.176 8.316 675 HA LEU 81 HA LEU 81 -11.553 -0.389 10.776 676 HB2 LEU 81 HB2 LEU 81 -11.710 -2.080 8.285 677 HB3 LEU 81 HB3 LEU 81 -12.838 -2.155 9.627 678 HG LEU 81 HG LEU 81 -12.383 0.241 7.848 679 HD11 LEU 81 HD11 LEU 81 -14.643 -0.210 7.043 680 HD12 LEU 81 HD12 LEU 81 -14.698 -1.676 8.023 681 HD13 LEU 81 HD13 LEU 81 -13.545 -1.545 6.694 682 HD21 LEU 81 HD21 LEU 81 -14.301 1.208 9.011 683 HD22 LEU 81 HD22 LEU 81 -12.962 0.898 10.117 684 HD23 LEU 81 HD23 LEU 81 -14.352 -0.187 10.087 685 H LEU 82 H LEU 82 -9.158 -2.421 9.133 686 HA LEU 82 HA LEU 82 -9.273 -4.399 11.231 687 HB2 LEU 82 HB2 LEU 82 -7.250 -5.348 10.076 688 HB3 LEU 82 HB3 LEU 82 -8.719 -5.277 9.129 689 HG LEU 82 HG LEU 82 -7.499 -2.925 8.440 690 HD11 LEU 82 HD11 LEU 82 -5.357 -5.004 8.832 691 HD12 LEU 82 HD12 LEU 82 -5.442 -3.405 9.576 692 HD13 LEU 82 HD13 LEU 82 -5.183 -3.560 7.835 693 HD21 LEU 82 HD21 LEU 82 -8.554 -4.359 6.878 694 HD22 LEU 82 HD22 LEU 82 -7.378 -5.642 7.168 695 HD23 LEU 82 HD23 LEU 82 -6.879 -4.155 6.362 696 H GLU 83 H GLU 83 -7.480 -1.503 10.589 697 HA GLU 83 HA GLU 83 -5.428 -1.943 12.537 698 HB2 GLU 83 HB2 GLU 83 -6.463 0.489 11.101 699 HB3 GLU 83 HB3 GLU 83 -5.232 0.618 12.349 700 HG2 GLU 83 HG2 GLU 83 -4.856 -1.252 10.054 701 HG3 GLU 83 HG3 GLU 83 -4.532 0.471 9.866 702 H ASP 84 H ASP 84 -8.566 -0.365 12.532 703 HA ASP 84 HA ASP 84 -8.262 0.588 15.268 704 HB2 ASP 84 HB2 ASP 84 -9.462 1.741 13.199 705 HB3 ASP 84 HB3 ASP 84 -10.828 0.771 13.733 706 H LYS 85 H LYS 85 -9.565 -2.048 13.542 707 HA LYS 85 HA LYS 85 -10.758 -3.877 14.081 708 HB2 LYS 85 HB2 LYS 85 -10.230 -2.985 16.919 709 HB3 LYS 85 HB3 LYS 85 -10.956 -4.526 16.477 710 HG2 LYS 85 HG2 LYS 85 -8.208 -3.593 15.665 711 HG3 LYS 85 HG3 LYS 85 -8.563 -4.736 16.970 712 HD2 LYS 85 HD2 LYS 85 -9.691 -6.183 15.258 713 HD3 LYS 85 HD3 LYS 85 -9.074 -5.091 14.020 714 HE2 LYS 85 HE2 LYS 85 -7.436 -6.717 15.961 715 HE3 LYS 85 HE3 LYS 85 -7.623 -7.020 14.235 716 HZ1 LYS 85 HZ1 LYS 85 -6.618 -4.773 13.874 717 HZ2 LYS 85 HZ2 LYS 85 -5.565 -5.926 14.531 718 HZ3 LYS 85 HZ3 LYS 85 -6.243 -4.733 15.530 719 H SER 86 H SER 86 -12.210 -2.053 13.111 720 HA SER 86 HA SER 86 -14.458 -1.501 14.899 721 HB2 SER 86 HB2 SER 86 -13.869 -0.464 12.113 722 HB3 SER 86 HB3 SER 86 -15.217 0.042 13.133 723 HG SER 86 HG SER 86 -13.314 0.471 14.700 724 H ASN 87 H ASN 87 -16.564 -2.116 14.388 725 HA ASN 87 HA ASN 87 -16.731 -4.769 13.429 726 HB2 ASN 87 HB2 ASN 87 -19.107 -4.611 13.928 727 HB3 ASN 87 HB3 ASN 87 -18.161 -3.884 15.223 728 HD21 ASN 87 HD21 ASN 87 -20.955 -3.487 14.295 729 HD22 ASN 87 HD22 ASN 87 -21.107 -1.778 14.056 730 H LEU 88 H LEU 88 -16.779 -1.886 11.708 731 HA LEU 88 HA LEU 88 -18.833 -2.238 9.867 732 HB2 LEU 88 HB2 LEU 88 -16.169 -0.872 9.541 733 HB3 LEU 88 HB3 LEU 88 -17.436 -0.810 8.333 734 HG LEU 88 HG LEU 88 -17.669 1.195 9.489 735 HD11 LEU 88 HD11 LEU 88 -19.793 0.032 9.242 736 HD12 LEU 88 HD12 LEU 88 -19.780 1.022 10.701 737 HD13 LEU 88 HD13 LEU 88 -19.573 -0.727 10.820 738 HD21 LEU 88 HD21 LEU 88 -16.163 0.771 11.324 739 HD22 LEU 88 HD22 LEU 88 -17.316 -0.343 12.055 740 HD23 LEU 88 HD23 LEU 88 -17.698 1.375 11.949 741 H LEU 89 H LEU 89 -15.535 -3.510 9.807 742 HA LEU 89 HA LEU 89 -16.287 -5.082 7.433 743 HB2 LEU 89 HB2 LEU 89 -14.338 -3.810 6.967 744 HB3 LEU 89 HB3 LEU 89 -13.589 -4.245 8.487 745 HG LEU 89 HG LEU 89 -13.631 -6.649 7.601 746 HD11 LEU 89 HD11 LEU 89 -15.161 -6.208 5.738 747 HD12 LEU 89 HD12 LEU 89 -13.639 -6.937 5.227 748 HD13 LEU 89 HD13 LEU 89 -13.914 -5.217 4.981 749 HD21 LEU 89 HD21 LEU 89 -11.518 -6.298 6.420 750 HD22 LEU 89 HD22 LEU 89 -11.613 -5.356 7.907 751 HD23 LEU 89 HD23 LEU 89 -11.857 -4.569 6.347 752 H LEU 90 H LEU 90 -15.522 -5.259 10.753 753 HA LEU 90 HA LEU 90 -14.722 -8.079 10.554 754 HB2 LEU 90 HB2 LEU 90 -14.329 -6.255 12.903 755 HB3 LEU 90 HB3 LEU 90 -13.494 -7.755 12.541 756 HG LEU 90 HG LEU 90 -13.232 -5.386 10.721 757 HD11 LEU 90 HD11 LEU 90 -12.700 -4.548 12.903 758 HD12 LEU 90 HD12 LEU 90 -11.209 -4.771 11.982 759 HD13 LEU 90 HD13 LEU 90 -11.661 -5.939 13.226 760 HD21 LEU 90 HD21 LEU 90 -11.064 -6.430 10.237 761 HD22 LEU 90 HD22 LEU 90 -12.412 -7.516 9.894 762 HD23 LEU 90 HD23 LEU 90 -11.451 -7.736 11.357 763 H TYR 91 H TYR 91 -17.579 -6.861 10.850 764 HA TYR 91 HA TYR 91 -18.444 -7.559 13.455 765 HB2 TYR 91 HB2 TYR 91 -20.714 -7.361 12.607 766 HB3 TYR 91 HB3 TYR 91 -19.731 -6.034 12.006 767 HD1 TYR 91 HD2 TYR 91 -21.189 -9.321 11.047 768 HD2 TYR 91 HD1 TYR 91 -19.555 -5.624 9.705 769 HE1 TYR 91 HE2 TYR 91 -21.893 -9.844 8.763 770 HE2 TYR 91 HE1 TYR 91 -20.257 -6.143 7.408 771 HH TYR 91 HH TYR 91 -22.459 -8.558 6.666 772 H SER 92 H SER 92 -19.959 -9.271 13.998 773 HA SER 92 HA SER 92 -18.965 -11.818 13.126 774 HB2 SER 92 HB2 SER 92 -21.295 -11.254 14.979 775 HB3 SER 92 HB3 SER 92 -20.358 -12.744 14.865 776 HG SER 92 HG SER 92 -18.589 -10.918 15.338 777 H CYS 93 H CYS 93 -19.897 -13.206 11.746 778 HA CYS 93 HA CYS 93 -22.666 -12.749 10.875 779 HB2 CYS 93 HB2 CYS 93 -22.123 -12.851 8.602 780 HB3 CYS 93 HB3 CYS 93 -20.844 -11.832 9.273 781 H ASN 94 H ASN 94 -23.402 -14.705 9.513 782 HA ASN 94 HA ASN 94 -22.311 -17.118 10.797 783 HB2 ASN 94 HB2 ASN 94 -24.685 -16.504 11.349 784 HB3 ASN 94 HB3 ASN 94 -25.086 -16.766 9.654 785 HD21 ASN 94 HD21 ASN 94 -24.212 -18.247 12.653 786 HD22 ASN 94 HD22 ASN 94 -24.555 -19.882 12.188 787 H CYS 95 H CYS 95 -20.684 -16.909 8.854 788 HA CYS 95 HA CYS 95 -21.832 -18.377 6.622 789 HB2 CYS 95 HB2 CYS 95 -19.064 -17.302 7.138 790 HB3 CYS 95 HB3 CYS 95 -19.427 -18.356 5.770 791 H LYS 96 H LYS 96 -20.585 -18.984 9.664 792 HA LYS 96 HA LYS 96 -20.716 -21.835 9.154 793 HB2 LYS 96 HB2 LYS 96 -18.650 -22.285 10.486 794 HB3 LYS 96 HB3 LYS 96 -18.344 -21.514 8.940 795 HG2 LYS 96 HG2 LYS 96 -18.119 -19.346 10.115 796 HG3 LYS 96 HG3 LYS 96 -18.306 -20.202 11.647 797 HD2 LYS 96 HD2 LYS 96 -16.134 -20.725 9.613 798 HD3 LYS 96 HD3 LYS 96 -15.940 -19.773 11.084 799 HE2 LYS 96 HE2 LYS 96 -16.460 -21.731 12.436 800 HE3 LYS 96 HE3 LYS 96 -16.707 -22.688 10.973 801 HZ1 LYS 96 HZ1 LYS 96 -14.152 -21.444 11.856 802 HZ2 LYS 96 HZ2 LYS 96 -14.370 -22.274 10.394 803 HZ3 LYS 96 HZ3 LYS 96 -14.527 -23.100 11.869 804 H PHE 97 H PHE 97 -19.999 -19.434 11.690 805 HA PHE 97 HA PHE 97 -22.318 -20.309 13.191 806 HB2 PHE 97 HB2 PHE 97 -21.125 -20.721 15.257 807 HB3 PHE 97 HB3 PHE 97 -20.439 -21.761 14.015 808 HD1 PHE 97 HD1 PHE 97 -19.898 -18.630 15.918 809 HD2 PHE 97 HD2 PHE 97 -18.164 -21.637 13.459 810 HE1 PHE 97 HE1 PHE 97 -17.666 -17.743 16.422 811 HE2 PHE 97 HE2 PHE 97 -15.926 -20.753 13.954 812 HZ PHE 97 HZ PHE 97 -15.669 -18.808 15.436 813 H SER 98 H SER 98 -22.538 -18.828 15.191 814 HA SER 98 HA SER 98 -21.088 -16.459 15.488 815 HB2 SER 98 HB2 SER 98 -22.747 -14.843 14.500 816 HB3 SER 98 HB3 SER 98 -21.832 -15.777 13.318 817 HG SER 98 HG SER 98 -24.314 -16.773 14.190 818 H LYS 99 H LYS 99 -22.786 -14.672 16.360 819 HA LYS 99 HA LYS 99 -24.025 -16.003 18.641 820 HB2 LYS 99 HB2 LYS 99 -23.485 -13.053 18.309 821 HB3 LYS 99 HB3 LYS 99 -23.636 -13.980 19.804 822 HG2 LYS 99 HG2 LYS 99 -21.561 -15.054 19.468 823 HG3 LYS 99 HG3 LYS 99 -21.453 -14.483 17.806 824 HD2 LYS 99 HD2 LYS 99 -21.174 -12.878 20.330 825 HD3 LYS 99 HD3 LYS 99 -19.945 -13.233 19.115 826 HE2 LYS 99 HE2 LYS 99 -21.223 -11.926 17.467 827 HE3 LYS 99 HE3 LYS 99 -22.399 -11.525 18.720 828 HZ1 LYS 99 HZ1 LYS 99 -19.518 -10.785 18.709 829 HZ2 LYS 99 HZ2 LYS 99 -20.602 -10.457 19.972 830 HZ3 LYS 99 HZ3 LYS 99 -20.825 -9.734 18.454 831 H LYS 100 H LYS 100 -26.153 -16.201 18.700 832 HA LYS 100 HA LYS 100 -27.688 -14.890 16.586 833 HB2 LYS 100 HB2 LYS 100 -27.729 -17.364 16.807 834 HB3 LYS 100 HB3 LYS 100 -28.465 -17.183 18.390 835 HG2 LYS 100 HG2 LYS 100 -30.169 -17.720 16.804 836 HG3 LYS 100 HG3 LYS 100 -30.385 -16.044 17.314 837 HD2 LYS 100 HD2 LYS 100 -28.669 -16.352 14.968 838 HD3 LYS 100 HD3 LYS 100 -30.317 -16.932 14.721 839 HE2 LYS 100 HE2 LYS 100 -29.649 -14.222 15.857 840 HE3 LYS 100 HE3 LYS 100 -29.915 -14.517 14.137 841 HZ1 LYS 100 HZ1 LYS 100 -32.148 -15.399 14.756 842 HZ2 LYS 100 HZ2 LYS 100 -31.943 -13.749 15.074 843 HZ3 LYS 100 HZ3 LYS 100 -31.876 -14.868 16.343 844 H LYS 101 H LYS 101 -28.823 -13.172 17.036 845 HA LYS 101 HA LYS 101 -29.836 -12.750 19.749 846 HB2 LYS 101 HB2 LYS 101 -29.320 -10.966 17.412 847 HB3 LYS 101 HB3 LYS 101 -30.562 -10.496 18.564 848 HG2 LYS 101 HG2 LYS 101 -28.413 -9.475 19.083 849 HG3 LYS 101 HG3 LYS 101 -28.949 -10.556 20.369 850 HD2 LYS 101 HD2 LYS 101 -27.507 -12.336 19.250 851 HD3 LYS 101 HD3 LYS 101 -26.800 -11.013 18.320 852 HE2 LYS 101 HE2 LYS 101 -25.423 -11.456 20.250 853 HE3 LYS 101 HE3 LYS 101 -26.202 -9.885 20.428 854 HZ1 LYS 101 HZ1 LYS 101 -27.939 -11.114 21.778 855 HZ2 LYS 101 HZ2 LYS 101 -26.417 -10.926 22.496 856 HZ3 LYS 101 HZ3 LYS 101 -26.857 -12.418 21.818 Start of MODEL 12 1 H MET 1 H MET 1 5.234 -7.196 5.798 2 HA MET 1 HA MET 1 7.292 -5.581 4.424 3 HB2 MET 1 HB2 MET 1 6.313 -8.397 3.970 4 HB3 MET 1 HB3 MET 1 7.098 -7.465 2.703 5 HG2 MET 1 HG2 MET 1 8.304 -8.189 5.365 6 HG3 MET 1 HG3 MET 1 8.658 -8.960 3.819 7 HE1 MET 1 HE1 MET 1 11.956 -6.977 4.572 8 HE2 MET 1 HE2 MET 1 11.275 -8.545 4.137 9 HE3 MET 1 HE3 MET 1 10.920 -7.836 5.713 10 H LYS 2 H LYS 2 6.231 -6.317 1.880 11 HA LYS 2 HA LYS 2 4.218 -4.296 1.706 12 HB2 LYS 2 HB2 LYS 2 5.361 -6.163 -0.383 13 HB3 LYS 2 HB3 LYS 2 4.208 -4.887 -0.736 14 HG2 LYS 2 HG2 LYS 2 6.303 -4.010 -1.305 15 HG3 LYS 2 HG3 LYS 2 5.905 -3.274 0.246 16 HD2 LYS 2 HD2 LYS 2 7.331 -4.905 1.386 17 HD3 LYS 2 HD3 LYS 2 7.719 -5.651 -0.164 18 HE2 LYS 2 HE2 LYS 2 9.510 -4.171 0.559 19 HE3 LYS 2 HE3 LYS 2 8.754 -3.573 -0.917 20 HZ1 LYS 2 HZ1 LYS 2 7.653 -1.884 0.255 21 HZ2 LYS 2 HZ2 LYS 2 9.230 -1.887 0.887 22 HZ3 LYS 2 HZ3 LYS 2 7.964 -2.594 1.765 23 H GLY 3 H GLY 3 2.307 -4.844 2.612 24 HA2 GLY 3 HA2 GLY 3 1.045 -7.345 1.669 25 HA3 GLY 3 HA3 GLY 3 0.792 -6.678 3.275 26 H ASP 4 H ASP 4 -0.961 -7.274 0.835 27 HA ASP 4 HA ASP 4 -2.077 -4.632 0.323 28 HB2 ASP 4 HB2 ASP 4 -3.568 -5.852 -1.270 29 HB3 ASP 4 HB3 ASP 4 -1.853 -5.991 -1.633 30 H ILE 5 H ILE 5 -4.305 -4.226 0.503 31 HA ILE 5 HA ILE 5 -5.218 -4.839 3.120 32 HB ILE 5 HB ILE 5 -5.560 -2.746 1.437 33 HG12 ILE 5 HG12 ILE 5 -5.842 -2.722 3.872 34 HG13 ILE 5 HG13 ILE 5 -7.130 -1.840 3.064 35 HG21 ILE 5 HG21 ILE 5 -8.202 -4.193 1.378 36 HG22 ILE 5 HG22 ILE 5 -7.123 -3.937 0.004 37 HG23 ILE 5 HG23 ILE 5 -7.892 -2.557 0.790 38 HD11 ILE 5 HD11 ILE 5 -8.007 -3.128 4.895 39 HD12 ILE 5 HD12 ILE 5 -7.318 -4.606 4.223 40 HD13 ILE 5 HD13 ILE 5 -8.611 -3.766 3.366 41 H GLU 6 H GLU 6 -5.834 -6.155 -0.019 42 HA GLU 6 HA GLU 6 -8.410 -7.230 0.506 43 HB2 GLU 6 HB2 GLU 6 -6.320 -7.993 -1.537 44 HB3 GLU 6 HB3 GLU 6 -7.930 -8.695 -1.479 45 HG2 GLU 6 HG2 GLU 6 -8.000 -7.020 -3.129 46 HG3 GLU 6 HG3 GLU 6 -8.837 -6.359 -1.724 47 H HIS 7 H HIS 7 -5.125 -8.544 0.644 48 HA HIS 7 HA HIS 7 -5.682 -11.094 1.559 49 HB2 HIS 7 HB2 HIS 7 -3.413 -9.223 1.779 50 HB3 HIS 7 HB3 HIS 7 -3.469 -10.481 3.014 51 HD1 HIS 7 HD1 HIS 7 -2.548 -9.890 -0.500 52 HD2 HIS 7 HD2 HIS 7 -3.410 -13.149 1.938 53 HE1 HIS 7 HE1 HIS 7 -1.639 -11.934 -1.688 54 H LYS 8 H LYS 8 -5.360 -8.095 3.412 55 HA LYS 8 HA LYS 8 -5.559 -9.141 5.979 56 HB2 LYS 8 HB2 LYS 8 -6.839 -6.535 5.161 57 HB3 LYS 8 HB3 LYS 8 -6.162 -6.959 6.724 58 HG2 LYS 8 HG2 LYS 8 -4.675 -6.421 4.172 59 HG3 LYS 8 HG3 LYS 8 -4.677 -5.453 5.646 60 HD2 LYS 8 HD2 LYS 8 -3.613 -7.320 6.846 61 HD3 LYS 8 HD3 LYS 8 -3.575 -8.241 5.337 62 HE2 LYS 8 HE2 LYS 8 -1.425 -7.235 5.668 63 HE3 LYS 8 HE3 LYS 8 -2.237 -6.428 4.322 64 HZ1 LYS 8 HZ1 LYS 8 -2.608 -4.535 5.577 65 HZ2 LYS 8 HZ2 LYS 8 -1.054 -4.995 6.075 66 HZ3 LYS 8 HZ3 LYS 8 -2.392 -5.324 7.062 67 H VAL 9 H VAL 9 -8.211 -7.882 3.956 68 HA VAL 9 HA VAL 9 -10.312 -8.373 5.700 69 HB VAL 9 HB VAL 9 -10.414 -8.629 2.690 70 HG11 VAL 9 HG11 VAL 9 -12.400 -9.520 3.732 71 HG12 VAL 9 HG12 VAL 9 -12.781 -7.977 2.970 72 HG13 VAL 9 HG13 VAL 9 -12.572 -8.071 4.718 73 HG21 VAL 9 HG21 VAL 9 -10.860 -6.191 4.402 74 HG22 VAL 9 HG22 VAL 9 -11.009 -6.287 2.647 75 HG23 VAL 9 HG23 VAL 9 -9.435 -6.499 3.411 76 H TYR 10 H TYR 10 -8.802 -10.539 3.347 77 HA TYR 10 HA TYR 10 -10.706 -12.626 3.720 78 HB2 TYR 10 HB2 TYR 10 -7.885 -12.870 2.669 79 HB3 TYR 10 HB3 TYR 10 -9.176 -14.036 2.463 80 HD1 TYR 10 HD2 TYR 10 -11.160 -11.493 1.939 81 HD2 TYR 10 HD1 TYR 10 -7.575 -12.999 0.218 82 HE1 TYR 10 HE2 TYR 10 -11.767 -10.465 -0.209 83 HE2 TYR 10 HE1 TYR 10 -8.167 -11.970 -1.932 84 HH TYR 10 HH TYR 10 -10.127 -11.198 -3.122 85 H GLN 11 H GLN 11 -7.611 -11.784 5.141 86 HA GLN 11 HA GLN 11 -6.925 -14.204 6.297 87 HB2 GLN 11 HB2 GLN 11 -6.365 -11.411 7.266 88 HB3 GLN 11 HB3 GLN 11 -5.624 -12.850 7.953 89 HG2 GLN 11 HG2 GLN 11 -5.248 -11.652 5.237 90 HG3 GLN 11 HG3 GLN 11 -4.039 -11.993 6.471 91 HE21 GLN 11 HE21 GLN 11 -5.956 -13.258 3.905 92 HE22 GLN 11 HE22 GLN 11 -5.173 -14.796 3.778 93 H LEU 12 H LEU 12 -8.889 -11.599 7.651 94 HA LEU 12 HA LEU 12 -9.213 -13.153 10.084 95 HB2 LEU 12 HB2 LEU 12 -10.593 -10.895 10.598 96 HB3 LEU 12 HB3 LEU 12 -8.888 -11.112 10.912 97 HG LEU 12 HG LEU 12 -8.558 -10.119 8.535 98 HD11 LEU 12 HD11 LEU 12 -10.899 -10.196 7.862 99 HD12 LEU 12 HD12 LEU 12 -10.291 -8.540 7.872 100 HD13 LEU 12 HD13 LEU 12 -11.321 -9.109 9.187 101 HD21 LEU 12 HD21 LEU 12 -9.495 -8.433 10.848 102 HD22 LEU 12 HD22 LEU 12 -8.558 -7.858 9.470 103 HD23 LEU 12 HD23 LEU 12 -7.857 -9.030 10.586 104 H LEU 13 H LEU 13 -11.251 -11.726 7.549 105 HA LEU 13 HA LEU 13 -13.696 -12.330 8.804 106 HB2 LEU 13 HB2 LEU 13 -12.992 -11.820 5.933 107 HB3 LEU 13 HB3 LEU 13 -14.637 -12.148 6.446 108 HG LEU 13 HG LEU 13 -12.914 -9.809 7.230 109 HD11 LEU 13 HD11 LEU 13 -15.580 -9.964 5.841 110 HD12 LEU 13 HD12 LEU 13 -14.028 -9.756 5.029 111 HD13 LEU 13 HD13 LEU 13 -14.618 -8.514 6.136 112 HD21 LEU 13 HD21 LEU 13 -14.121 -10.593 9.182 113 HD22 LEU 13 HD22 LEU 13 -15.624 -10.628 8.260 114 HD23 LEU 13 HD23 LEU 13 -14.826 -9.089 8.590 115 H LYS 14 H LYS 14 -11.850 -14.151 6.388 116 HA LYS 14 HA LYS 14 -13.792 -16.188 6.086 117 HB2 LYS 14 HB2 LYS 14 -12.279 -17.258 4.715 118 HB3 LYS 14 HB3 LYS 14 -11.673 -15.610 4.643 119 HG2 LYS 14 HG2 LYS 14 -10.039 -16.197 6.419 120 HG3 LYS 14 HG3 LYS 14 -10.587 -17.865 6.301 121 HD2 LYS 14 HD2 LYS 14 -9.989 -17.785 3.862 122 HD3 LYS 14 HD3 LYS 14 -9.240 -16.217 4.175 123 HE2 LYS 14 HE2 LYS 14 -8.467 -18.905 5.279 124 HE3 LYS 14 HE3 LYS 14 -7.502 -17.818 4.280 125 HZ1 LYS 14 HZ1 LYS 14 -6.715 -17.618 6.486 126 HZ2 LYS 14 HZ2 LYS 14 -8.278 -17.469 7.121 127 HZ3 LYS 14 HZ3 LYS 14 -7.622 -16.217 6.190 128 H ASP 15 H ASP 15 -11.466 -15.507 8.505 129 HA ASP 15 HA ASP 15 -11.321 -18.202 9.538 130 HB2 ASP 15 HB2 ASP 15 -9.457 -16.464 9.656 131 HB3 ASP 15 HB3 ASP 15 -10.401 -15.683 10.917 132 H GLN 16 H GLN 16 -12.960 -15.189 10.304 133 HA GLN 16 HA GLN 16 -14.095 -16.025 12.766 134 HB2 GLN 16 HB2 GLN 16 -15.425 -14.088 10.878 135 HB3 GLN 16 HB3 GLN 16 -15.510 -14.129 12.631 136 HG2 GLN 16 HG2 GLN 16 -12.853 -13.790 12.147 137 HG3 GLN 16 HG3 GLN 16 -13.604 -12.865 10.856 138 HE21 GLN 16 HE21 GLN 16 -13.156 -10.901 11.571 139 HE22 GLN 16 HE22 GLN 16 -13.793 -10.212 13.021 140 H GLY 17 H GLY 17 -15.071 -16.285 9.425 141 HA2 GLY 17 HA2 GLY 17 -16.431 -18.401 9.070 142 HA3 GLY 17 HA3 GLY 17 -17.516 -17.699 10.261 143 H CYS 18 H CYS 18 -15.804 -15.918 7.737 144 HA CYS 18 HA CYS 18 -18.374 -15.747 6.285 145 HB2 CYS 18 HB2 CYS 18 -17.486 -13.620 7.558 146 HB3 CYS 18 HB3 CYS 18 -16.410 -13.492 6.167 147 H GLU 19 H GLU 19 -18.292 -16.287 4.190 148 HA GLU 19 HA GLU 19 -15.672 -16.083 2.826 149 HB2 GLU 19 HB2 GLU 19 -16.227 -17.954 1.460 150 HB3 GLU 19 HB3 GLU 19 -16.588 -18.432 3.112 151 HG2 GLU 19 HG2 GLU 19 -18.619 -17.468 1.110 152 HG3 GLU 19 HG3 GLU 19 -18.303 -19.150 1.501 153 H ASP 20 H ASP 20 -18.421 -14.538 3.214 154 HA ASP 20 HA ASP 20 -19.077 -14.162 0.401 155 HB2 ASP 20 HB2 ASP 20 -20.922 -14.903 1.820 156 HB3 ASP 20 HB3 ASP 20 -20.673 -13.530 2.890 157 H PHE 21 H PHE 21 -17.311 -12.758 0.048 158 HA PHE 21 HA PHE 21 -17.984 -10.010 0.265 159 HB2 PHE 21 HB2 PHE 21 -15.797 -9.391 1.473 160 HB3 PHE 21 HB3 PHE 21 -17.132 -9.973 2.458 161 HD1 PHE 21 HD1 PHE 21 -13.896 -10.967 0.935 162 HD2 PHE 21 HD2 PHE 21 -16.916 -11.877 3.783 163 HE1 PHE 21 HE1 PHE 21 -12.444 -12.694 1.924 164 HE2 PHE 21 HE2 PHE 21 -15.478 -13.598 4.768 165 HZ PHE 21 HZ PHE 21 -13.226 -14.008 3.857 166 H GLY 22 H GLY 22 -16.377 -8.623 -0.819 167 HA2 GLY 22 HA2 GLY 22 -14.062 -9.492 -2.078 168 HA3 GLY 22 HA3 GLY 22 -15.382 -9.864 -3.181 169 H THR 23 H THR 23 -13.556 -8.144 -4.110 170 HA THR 23 HA THR 23 -14.492 -5.436 -3.544 171 HB THR 23 HB THR 23 -12.611 -4.752 -5.079 172 HG1 THR 23 HG1 THR 23 -11.872 -7.505 -4.846 173 HG21 THR 23 HG21 THR 23 -11.864 -6.446 -2.696 174 HG22 THR 23 HG22 THR 23 -12.342 -4.750 -2.651 175 HG23 THR 23 HG23 THR 23 -10.843 -5.221 -3.452 176 H LYS 24 H LYS 24 -15.292 -4.047 -5.112 177 HA LYS 24 HA LYS 24 -15.697 -5.171 -7.791 178 HB2 LYS 24 HB2 LYS 24 -17.915 -4.289 -7.971 179 HB3 LYS 24 HB3 LYS 24 -17.849 -5.242 -6.501 180 HG2 LYS 24 HG2 LYS 24 -18.868 -3.492 -5.564 181 HG3 LYS 24 HG3 LYS 24 -17.269 -2.750 -5.560 182 HD2 LYS 24 HD2 LYS 24 -17.738 -1.600 -7.623 183 HD3 LYS 24 HD3 LYS 24 -19.268 -2.463 -7.805 184 HE2 LYS 24 HE2 LYS 24 -20.141 -1.389 -5.814 185 HE3 LYS 24 HE3 LYS 24 -18.598 -0.588 -5.539 186 HZ1 LYS 24 HZ1 LYS 24 -20.419 -0.143 -7.845 187 HZ2 LYS 24 HZ2 LYS 24 -18.917 0.614 -7.623 188 HZ3 LYS 24 HZ3 LYS 24 -20.183 0.909 -6.538 189 H CYS 25 H CYS 25 -15.072 -3.850 -9.385 190 HA CYS 25 HA CYS 25 -14.786 -1.002 -8.765 191 HB2 CYS 25 HB2 CYS 25 -12.721 -1.096 -10.324 192 HB3 CYS 25 HB3 CYS 25 -12.546 -1.633 -8.658 193 HG CYS 25 HG CYS 25 -12.194 -4.215 -9.128 194 H VAL 26 H VAL 26 -16.779 -0.787 -9.771 195 HA VAL 26 HA VAL 26 -16.805 -1.295 -12.666 196 HB VAL 26 HB VAL 26 -18.605 -2.423 -11.415 197 HG11 VAL 26 HG11 VAL 26 -18.833 -0.894 -9.550 198 HG12 VAL 26 HG12 VAL 26 -20.389 -1.117 -10.352 199 HG13 VAL 26 HG13 VAL 26 -19.459 0.357 -10.625 200 HG21 VAL 26 HG21 VAL 26 -20.499 -1.640 -12.748 201 HG22 VAL 26 HG22 VAL 26 -19.027 -1.730 -13.715 202 HG23 VAL 26 HG23 VAL 26 -19.613 -0.169 -13.146 203 H ILE 27 H ILE 27 -17.197 0.388 -14.066 204 HA ILE 27 HA ILE 27 -16.542 2.977 -13.132 205 HB ILE 27 HB ILE 27 -17.551 2.038 -15.809 206 HG12 ILE 27 HG12 ILE 27 -14.840 2.981 -14.845 207 HG13 ILE 27 HG13 ILE 27 -15.290 1.309 -15.168 208 HG21 ILE 27 HG21 ILE 27 -16.615 4.794 -15.019 209 HG22 ILE 27 HG22 ILE 27 -18.262 4.342 -15.460 210 HG23 ILE 27 HG23 ILE 27 -16.973 4.259 -16.663 211 HD11 ILE 27 HD11 ILE 27 -15.624 1.864 -17.521 212 HD12 ILE 27 HD12 ILE 27 -13.983 2.223 -16.984 213 HD13 ILE 27 HD13 ILE 27 -15.149 3.530 -17.191 214 H GLU 28 H GLU 28 -17.723 4.508 -12.368 215 HA GLU 28 HA GLU 28 -20.614 4.529 -12.900 216 HB2 GLU 28 HB2 GLU 28 -19.109 5.602 -10.504 217 HB3 GLU 28 HB3 GLU 28 -20.840 5.779 -10.772 218 HG2 GLU 28 HG2 GLU 28 -20.951 3.255 -10.831 219 HG3 GLU 28 HG3 GLU 28 -19.294 3.266 -10.226 220 H GLU 29 H GLU 29 -20.810 5.889 -14.568 221 HA GLU 29 HA GLU 29 -19.014 8.154 -14.797 222 HB2 GLU 29 HB2 GLU 29 -20.010 8.471 -17.032 223 HB3 GLU 29 HB3 GLU 29 -19.393 6.847 -16.804 224 HG2 GLU 29 HG2 GLU 29 -22.295 7.537 -16.462 225 HG3 GLU 29 HG3 GLU 29 -21.596 7.066 -18.008 226 H VAL 30 H VAL 30 -19.489 10.157 -14.267 227 HA VAL 30 HA VAL 30 -22.111 10.721 -13.161 228 HB VAL 30 HB VAL 30 -19.653 12.482 -13.293 229 HG11 VAL 30 HG11 VAL 30 -22.202 12.792 -11.709 230 HG12 VAL 30 HG12 VAL 30 -21.688 13.795 -13.066 231 HG13 VAL 30 HG13 VAL 30 -20.771 13.811 -11.559 232 HG21 VAL 30 HG21 VAL 30 -19.358 11.911 -10.937 233 HG22 VAL 30 HG22 VAL 30 -19.272 10.481 -11.966 234 HG23 VAL 30 HG23 VAL 30 -20.730 10.808 -11.031 235 H LYS 31 H LYS 31 -23.430 10.800 -14.937 236 HA LYS 31 HA LYS 31 -22.772 12.267 -17.277 237 HB2 LYS 31 HB2 LYS 31 -25.156 11.879 -17.902 238 HB3 LYS 31 HB3 LYS 31 -24.272 10.418 -17.494 239 HG2 LYS 31 HG2 LYS 31 -25.293 10.473 -15.246 240 HG3 LYS 31 HG3 LYS 31 -26.250 11.869 -15.750 241 HD2 LYS 31 HD2 LYS 31 -27.232 10.508 -17.557 242 HD3 LYS 31 HD3 LYS 31 -26.310 9.115 -16.987 243 HE2 LYS 31 HE2 LYS 31 -28.621 9.059 -16.179 244 HE3 LYS 31 HE3 LYS 31 -27.473 9.200 -14.847 245 HZ1 LYS 31 HZ1 LYS 31 -27.948 11.532 -14.682 246 HZ2 LYS 31 HZ2 LYS 31 -29.411 10.681 -14.626 247 HZ3 LYS 31 HZ3 LYS 31 -28.951 11.483 -16.050 248 H SER 32 H SER 32 -23.110 14.297 -17.793 249 HA SER 32 HA SER 32 -24.082 16.088 -15.728 250 HB2 SER 32 HB2 SER 32 -21.935 16.536 -16.922 251 HB3 SER 32 HB3 SER 32 -22.840 16.715 -18.424 252 HG SER 32 HG SER 32 -22.666 18.753 -17.695 253 H SER 33 H SER 33 -25.474 17.944 -16.445 254 HA SER 33 HA SER 33 -27.851 17.099 -17.687 255 HB2 SER 33 HB2 SER 33 -28.127 19.741 -17.828 256 HB3 SER 33 HB3 SER 33 -28.207 18.895 -16.281 257 HG SER 33 HG SER 33 -26.204 20.553 -17.321 258 H HIS 34 H HIS 34 -24.980 18.735 -18.863 259 HA HIS 34 HA HIS 34 -26.021 18.653 -21.592 260 HB2 HIS 34 HB2 HIS 34 -24.778 20.681 -20.899 261 HB3 HIS 34 HB3 HIS 34 -23.365 19.689 -20.556 262 HD1 HIS 34 HD1 HIS 34 -25.565 20.576 -23.549 263 HD2 HIS 34 HD2 HIS 34 -21.677 19.413 -22.633 264 HE1 HIS 34 HE1 HIS 34 -24.271 20.639 -25.722 265 H LYS 35 H LYS 35 -25.850 16.790 -22.594 266 HA LYS 35 HA LYS 35 -24.300 14.623 -21.677 267 HB2 LYS 35 HB2 LYS 35 -26.143 15.174 -23.879 268 HB3 LYS 35 HB3 LYS 35 -24.884 14.023 -24.305 269 HG2 LYS 35 HG2 LYS 35 -26.438 13.664 -21.779 270 HG3 LYS 35 HG3 LYS 35 -27.130 13.178 -23.329 271 HD2 LYS 35 HD2 LYS 35 -25.212 11.735 -23.749 272 HD3 LYS 35 HD3 LYS 35 -24.479 12.245 -22.227 273 HE2 LYS 35 HE2 LYS 35 -26.180 11.190 -20.957 274 HE3 LYS 35 HE3 LYS 35 -27.182 10.934 -22.385 275 HZ1 LYS 35 HZ1 LYS 35 -25.688 9.312 -23.193 276 HZ2 LYS 35 HZ2 LYS 35 -25.953 8.934 -21.562 277 HZ3 LYS 35 HZ3 LYS 35 -24.511 9.692 -22.037 278 H THR 36 H THR 36 -24.025 16.008 -24.922 279 HA THR 36 HA THR 36 -21.233 16.520 -24.735 280 HB THR 36 HB THR 36 -21.167 14.652 -26.812 281 HG1 THR 36 HG1 THR 36 -22.291 13.426 -24.496 282 HG21 THR 36 HG21 THR 36 -20.152 14.441 -23.976 283 HG22 THR 36 HG22 THR 36 -19.310 15.159 -25.352 284 HG23 THR 36 HG23 THR 36 -19.625 13.424 -25.318 285 H LEU 37 H LEU 37 -20.444 17.557 -26.625 286 HA LEU 37 HA LEU 37 -22.559 18.200 -28.573 287 HB2 LEU 37 HB2 LEU 37 -21.460 19.979 -26.908 288 HB3 LEU 37 HB3 LEU 37 -20.255 20.042 -28.177 289 HG LEU 37 HG LEU 37 -23.203 20.572 -28.576 290 HD11 LEU 37 HD11 LEU 37 -22.153 22.278 -27.190 291 HD12 LEU 37 HD12 LEU 37 -22.564 22.911 -28.785 292 HD13 LEU 37 HD13 LEU 37 -20.892 22.497 -28.404 293 HD21 LEU 37 HD21 LEU 37 -20.855 20.946 -30.437 294 HD22 LEU 37 HD22 LEU 37 -22.516 21.446 -30.760 295 HD23 LEU 37 HD23 LEU 37 -22.127 19.735 -30.594 296 H LEU 38 H LEU 38 -21.610 16.114 -29.465 297 HA LEU 38 HA LEU 38 -20.136 16.792 -31.778 298 HB2 LEU 38 HB2 LEU 38 -18.134 15.552 -31.520 299 HB3 LEU 38 HB3 LEU 38 -18.257 16.613 -30.135 300 HG LEU 38 HG LEU 38 -18.940 13.668 -30.049 301 HD11 LEU 38 HD11 LEU 38 -16.403 15.081 -29.258 302 HD12 LEU 38 HD12 LEU 38 -16.599 14.008 -30.644 303 HD13 LEU 38 HD13 LEU 38 -16.769 13.375 -29.006 304 HD21 LEU 38 HD21 LEU 38 -18.874 13.920 -27.684 305 HD22 LEU 38 HD22 LEU 38 -19.958 15.157 -28.328 306 HD23 LEU 38 HD23 LEU 38 -18.325 15.593 -27.822 307 H ASN 39 H ASN 39 -19.167 14.219 -32.385 308 HA ASN 39 HA ASN 39 -21.349 13.013 -33.582 309 HB2 ASN 39 HB2 ASN 39 -18.833 12.672 -33.971 310 HB3 ASN 39 HB3 ASN 39 -18.919 11.510 -32.642 311 HD21 ASN 39 HD21 ASN 39 -19.989 9.560 -32.957 312 HD22 ASN 39 HD22 ASN 39 -20.415 8.991 -34.542 313 H THR 40 H THR 40 -19.486 11.368 -31.090 314 HA THR 40 HA THR 40 -21.980 10.363 -29.879 315 HB THR 40 HB THR 40 -19.327 8.913 -29.809 316 HG1 THR 40 HG1 THR 40 -20.200 7.660 -31.598 317 HG21 THR 40 HG21 THR 40 -22.182 7.980 -29.547 318 HG22 THR 40 HG22 THR 40 -21.030 8.182 -28.228 319 HG23 THR 40 HG23 THR 40 -20.756 6.950 -29.460 320 H GLU 41 H GLU 41 -21.126 9.457 -27.496 321 HA GLU 41 HA GLU 41 -20.195 11.764 -26.111 322 HB2 GLU 41 HB2 GLU 41 -20.324 8.899 -25.126 323 HB3 GLU 41 HB3 GLU 41 -20.198 10.339 -24.125 324 HG2 GLU 41 HG2 GLU 41 -22.403 11.058 -24.850 325 HG3 GLU 41 HG3 GLU 41 -22.527 9.650 -25.903 326 H LEU 42 H LEU 42 -18.235 12.374 -26.902 327 HA LEU 42 HA LEU 42 -16.018 10.993 -27.599 328 HB2 LEU 42 HB2 LEU 42 -16.356 13.496 -27.560 329 HB3 LEU 42 HB3 LEU 42 -15.939 13.462 -25.861 330 HG LEU 42 HG LEU 42 -14.123 14.162 -27.519 331 HD11 LEU 42 HD11 LEU 42 -13.635 13.639 -25.194 332 HD12 LEU 42 HD12 LEU 42 -12.353 13.058 -26.256 333 HD13 LEU 42 HD13 LEU 42 -13.528 11.923 -25.591 334 HD21 LEU 42 HD21 LEU 42 -14.031 11.185 -27.983 335 HD22 LEU 42 HD22 LEU 42 -12.865 12.370 -28.571 336 HD23 LEU 42 HD23 LEU 42 -14.525 12.400 -29.163 337 H HIS 43 H HIS 43 -16.529 12.253 -24.328 338 HA HIS 43 HA HIS 43 -15.738 9.797 -23.090 339 HB2 HIS 43 HB2 HIS 43 -13.518 10.797 -23.607 340 HB3 HIS 43 HB3 HIS 43 -13.974 12.234 -22.701 341 HD1 HIS 43 HD1 HIS 43 -13.960 12.041 -20.079 342 HD2 HIS 43 HD2 HIS 43 -12.847 8.570 -22.093 343 HE1 HIS 43 HE1 HIS 43 -12.921 10.513 -18.353 344 H LEU 44 H LEU 44 -17.536 9.783 -21.846 345 HA LEU 44 HA LEU 44 -18.502 12.145 -20.539 346 HB2 LEU 44 HB2 LEU 44 -19.776 9.967 -21.289 347 HB3 LEU 44 HB3 LEU 44 -19.261 9.357 -19.731 348 HG LEU 44 HG LEU 44 -21.583 10.279 -19.780 349 HD11 LEU 44 HD11 LEU 44 -21.377 11.570 -17.700 350 HD12 LEU 44 HD12 LEU 44 -19.631 11.640 -17.937 351 HD13 LEU 44 HD13 LEU 44 -20.423 10.088 -17.673 352 HD21 LEU 44 HD21 LEU 44 -21.879 12.701 -19.796 353 HD22 LEU 44 HD22 LEU 44 -21.197 12.128 -21.319 354 HD23 LEU 44 HD23 LEU 44 -20.161 12.913 -20.128 355 H THR 45 H THR 45 -17.963 12.860 -18.543 356 HA THR 45 HA THR 45 -15.610 12.016 -17.312 357 HB THR 45 HB THR 45 -17.838 13.483 -15.920 358 HG1 THR 45 HG1 THR 45 -17.458 15.132 -17.228 359 HG21 THR 45 HG21 THR 45 -16.026 14.555 -14.690 360 HG22 THR 45 HG22 THR 45 -14.837 13.639 -15.616 361 HG23 THR 45 HG23 THR 45 -15.936 12.803 -14.518 362 H LYS 46 H LYS 46 -15.463 9.980 -16.710 363 HA LYS 46 HA LYS 46 -17.585 8.848 -15.052 364 HB2 LYS 46 HB2 LYS 46 -17.373 6.861 -16.123 365 HB3 LYS 46 HB3 LYS 46 -16.769 7.890 -17.409 366 HG2 LYS 46 HG2 LYS 46 -15.082 6.376 -15.433 367 HG3 LYS 46 HG3 LYS 46 -15.406 5.896 -17.096 368 HD2 LYS 46 HD2 LYS 46 -14.140 7.673 -17.967 369 HD3 LYS 46 HD3 LYS 46 -14.130 8.529 -16.419 370 HE2 LYS 46 HE2 LYS 46 -12.015 7.586 -16.506 371 HE3 LYS 46 HE3 LYS 46 -12.942 6.450 -15.519 372 HZ1 LYS 46 HZ1 LYS 46 -11.636 5.241 -17.117 373 HZ2 LYS 46 HZ2 LYS 46 -12.259 6.150 -18.400 374 HZ3 LYS 46 HZ3 LYS 46 -13.270 5.098 -17.546 375 H TYR 47 H TYR 47 -16.936 7.393 -13.365 376 HA TYR 47 HA TYR 47 -14.221 7.879 -12.376 377 HB2 TYR 47 HB2 TYR 47 -16.798 8.124 -10.814 378 HB3 TYR 47 HB3 TYR 47 -15.206 8.060 -10.071 379 HD1 TYR 47 HD2 TYR 47 -17.370 10.087 -12.321 380 HD2 TYR 47 HD1 TYR 47 -13.875 9.996 -9.892 381 HE1 TYR 47 HE2 TYR 47 -17.172 12.524 -12.521 382 HE2 TYR 47 HE1 TYR 47 -13.670 12.438 -10.090 383 HH TYR 47 HH TYR 47 -16.159 14.398 -11.223 384 H TYR 48 H TYR 48 -13.287 6.156 -11.372 385 HA TYR 48 HA TYR 48 -14.470 3.596 -11.781 386 HB2 TYR 48 HB2 TYR 48 -11.901 4.590 -10.625 387 HB3 TYR 48 HB3 TYR 48 -12.400 2.940 -10.269 388 HD1 TYR 48 HD2 TYR 48 -13.176 4.572 -13.475 389 HD2 TYR 48 HD1 TYR 48 -10.566 1.926 -11.410 390 HE1 TYR 48 HE2 TYR 48 -12.259 3.807 -15.624 391 HE2 TYR 48 HE1 TYR 48 -9.646 1.149 -13.551 392 HH TYR 48 HH TYR 48 -10.356 2.740 -16.536 393 H GLY 49 H GLY 49 -16.140 3.003 -10.559 394 HA2 GLY 49 HA2 GLY 49 -16.450 3.870 -7.836 395 HA3 GLY 49 HA3 GLY 49 -17.493 2.750 -8.704 396 H PHE 50 H PHE 50 -14.345 3.025 -7.129 397 HA PHE 50 HA PHE 50 -14.052 0.176 -6.848 398 HB2 PHE 50 HB2 PHE 50 -12.438 2.554 -6.312 399 HB3 PHE 50 HB3 PHE 50 -12.288 1.329 -5.057 400 HD1 PHE 50 HD1 PHE 50 -11.782 2.044 -8.631 401 HD2 PHE 50 HD2 PHE 50 -11.190 -0.729 -5.464 402 HE1 PHE 50 HE1 PHE 50 -10.221 0.772 -10.037 403 HE2 PHE 50 HE2 PHE 50 -9.631 -2.004 -6.851 404 HZ PHE 50 HZ PHE 50 -9.133 -1.254 -9.150 405 H SER 51 H SER 51 -14.873 -1.035 -5.296 406 HA SER 51 HA SER 51 -15.455 0.114 -2.690 407 HB2 SER 51 HB2 SER 51 -17.652 -1.331 -4.158 408 HB3 SER 51 HB3 SER 51 -17.768 -0.353 -2.697 409 HG SER 51 HG SER 51 -16.803 1.258 -4.473 410 H PHE 52 H PHE 52 -15.792 -1.460 -1.076 411 HA PHE 52 HA PHE 52 -15.194 -4.207 -1.935 412 HB2 PHE 52 HB2 PHE 52 -13.540 -3.122 -0.338 413 HB3 PHE 52 HB3 PHE 52 -14.829 -3.134 0.860 414 HD1 PHE 52 HD2 PHE 52 -15.816 -5.320 1.584 415 HD2 PHE 52 HD1 PHE 52 -12.308 -5.072 -0.814 416 HE1 PHE 52 HE2 PHE 52 -15.283 -7.654 2.128 417 HE2 PHE 52 HE1 PHE 52 -11.772 -7.411 -0.275 418 HZ PHE 52 HZ PHE 52 -13.261 -8.705 1.196 419 H PHE 53 H PHE 53 -16.739 -5.624 -1.732 420 HA PHE 53 HA PHE 53 -19.201 -4.854 -0.343 421 HB2 PHE 53 HB2 PHE 53 -18.548 -6.475 -2.712 422 HB3 PHE 53 HB3 PHE 53 -19.813 -7.140 -1.687 423 HD1 PHE 53 HD1 PHE 53 -21.915 -6.017 -1.424 424 HD2 PHE 53 HD2 PHE 53 -18.878 -4.412 -3.926 425 HE1 PHE 53 HE1 PHE 53 -23.569 -4.513 -2.462 426 HE2 PHE 53 HE2 PHE 53 -20.522 -2.909 -4.966 427 HZ PHE 53 HZ PHE 53 -22.870 -2.956 -4.239 428 H ARG 54 H ARG 54 -20.014 -5.974 1.300 429 HA ARG 54 HA ARG 54 -19.201 -8.746 1.682 430 HB2 ARG 54 HB2 ARG 54 -17.799 -7.478 3.273 431 HB3 ARG 54 HB3 ARG 54 -19.253 -6.770 3.975 432 HG2 ARG 54 HG2 ARG 54 -20.032 -9.029 4.571 433 HG3 ARG 54 HG3 ARG 54 -18.531 -9.691 3.934 434 HD2 ARG 54 HD2 ARG 54 -17.257 -8.501 5.610 435 HD3 ARG 54 HD3 ARG 54 -18.725 -7.724 6.211 436 HE ARG 54 HE ARG 54 -18.895 -10.575 6.224 437 HH11 ARG 54 1HH1 ARG 54 -17.650 -7.850 8.011 438 HH12 ARG 54 2HH1 ARG 54 -17.763 -8.643 9.550 439 HH21 ARG 54 1HH2 ARG 54 -19.040 -11.624 8.273 440 HH22 ARG 54 2HH2 ARG 54 -18.561 -10.771 9.705 441 H HIS 55 H HIS 55 -21.040 -9.879 1.648 442 HA HIS 55 HA HIS 55 -23.219 -10.496 1.878 443 HB2 HIS 55 HB2 HIS 55 -22.917 -8.590 4.164 444 HB3 HIS 55 HB3 HIS 55 -24.510 -9.223 3.766 445 HD1 HIS 55 HD1 HIS 55 -25.085 -11.427 4.779 446 HD2 HIS 55 HD2 HIS 55 -20.987 -10.725 4.727 447 HE1 HIS 55 HE1 HIS 55 -24.022 -13.308 6.086 448 H GLY 56 H GLY 56 -22.434 -8.140 0.157 449 HA2 GLY 56 HA2 GLY 56 -23.691 -6.915 -1.367 450 HA3 GLY 56 HA3 GLY 56 -25.138 -7.309 -0.452 451 H ASN 57 H ASN 57 -22.815 -6.169 1.652 452 HA ASN 57 HA ASN 57 -23.949 -3.459 1.549 453 HB2 ASN 57 HB2 ASN 57 -22.218 -4.631 3.733 454 HB3 ASN 57 HB3 ASN 57 -23.133 -3.132 3.792 455 HD21 ASN 57 HD21 ASN 57 -23.169 -6.502 4.159 456 HD22 ASN 57 HD22 ASN 57 -24.807 -6.659 4.723 457 H ILE 58 H ILE 58 -22.256 -1.791 2.363 458 HA ILE 58 HA ILE 58 -19.809 -2.218 0.785 459 HB ILE 58 HB ILE 58 -21.377 0.304 1.286 460 HG12 ILE 58 HG12 ILE 58 -22.027 -1.184 -0.586 461 HG13 ILE 58 HG13 ILE 58 -21.496 0.407 -1.127 462 HG21 ILE 58 HG21 ILE 58 -18.598 0.066 0.135 463 HG22 ILE 58 HG22 ILE 58 -19.045 0.857 1.646 464 HG23 ILE 58 HG23 ILE 58 -19.590 1.525 0.108 465 HD11 ILE 58 HD11 ILE 58 -20.645 -1.392 -2.545 466 HD12 ILE 58 HD12 ILE 58 -19.829 -2.101 -1.150 467 HD13 ILE 58 HD13 ILE 58 -19.340 -0.516 -1.747 468 H VAL 59 H VAL 59 -18.162 -2.594 2.001 469 HA VAL 59 HA VAL 59 -17.967 -1.405 4.665 470 HB VAL 59 HB VAL 59 -16.179 -3.417 3.274 471 HG11 VAL 59 HG11 VAL 59 -14.863 -2.110 4.806 472 HG12 VAL 59 HG12 VAL 59 -15.161 -3.695 5.519 473 HG13 VAL 59 HG13 VAL 59 -16.078 -2.295 6.070 474 HG21 VAL 59 HG21 VAL 59 -17.084 -4.982 4.975 475 HG22 VAL 59 HG22 VAL 59 -18.311 -4.385 3.852 476 HG23 VAL 59 HG23 VAL 59 -18.213 -3.723 5.483 477 H ALA 60 H ALA 60 -16.512 -1.323 1.497 478 HA ALA 60 HA ALA 60 -15.053 1.105 2.282 479 HB1 ALA 60 1HB ALA 60 -13.451 -0.752 2.185 480 HB2 ALA 60 HB2 ALA 60 -13.152 0.439 0.918 481 HB3 ALA 60 HB3 ALA 60 -13.948 -1.085 0.524 482 H TYR 61 H TYR 61 -15.304 2.767 0.883 483 HA TYR 61 HA TYR 61 -16.036 2.174 -1.875 484 HB2 TYR 61 HB2 TYR 61 -18.173 2.601 -0.690 485 HB3 TYR 61 HB3 TYR 61 -17.565 4.179 -0.193 486 HD1 TYR 61 HD1 TYR 61 -18.066 2.162 -3.288 487 HD2 TYR 61 HD2 TYR 61 -18.122 6.019 -1.507 488 HE1 TYR 61 HE1 TYR 61 -18.873 3.107 -5.401 489 HE2 TYR 61 HE2 TYR 61 -18.934 6.985 -3.621 490 HH TYR 61 HH TYR 61 -19.815 4.950 -6.368 491 H GLY 62 H GLY 62 -14.867 3.303 -3.231 492 HA2 GLY 62 HA2 GLY 62 -14.028 6.014 -2.548 493 HA3 GLY 62 HA3 GLY 62 -12.759 4.840 -2.885 494 H LYS 63 H LYS 63 -15.163 6.896 -4.212 495 HA LYS 63 HA LYS 63 -14.754 5.797 -6.887 496 HB2 LYS 63 HB2 LYS 63 -17.051 6.318 -6.192 497 HB3 LYS 63 HB3 LYS 63 -16.591 7.995 -5.923 498 HG2 LYS 63 HG2 LYS 63 -16.127 8.285 -8.268 499 HG3 LYS 63 HG3 LYS 63 -16.454 6.581 -8.573 500 HD2 LYS 63 HD2 LYS 63 -18.406 7.702 -9.227 501 HD3 LYS 63 HD3 LYS 63 -18.771 7.017 -7.644 502 HE2 LYS 63 HE2 LYS 63 -17.785 9.836 -7.929 503 HE3 LYS 63 HE3 LYS 63 -19.490 9.439 -8.130 504 HZ1 LYS 63 HZ1 LYS 63 -18.884 10.145 -5.856 505 HZ2 LYS 63 HZ2 LYS 63 -17.909 8.772 -5.708 506 HZ3 LYS 63 HZ3 LYS 63 -19.581 8.603 -5.914 507 H SER 64 H SER 64 -13.257 6.615 -8.182 508 HA SER 64 HA SER 64 -12.751 9.467 -8.201 509 HB2 SER 64 HB2 SER 64 -10.527 7.495 -7.622 510 HB3 SER 64 HB3 SER 64 -10.301 9.209 -7.973 511 HG SER 64 HG SER 64 -12.118 8.815 -5.995 512 H ARG 65 H ARG 65 -11.443 10.122 -10.053 513 HA ARG 65 HA ARG 65 -12.223 8.702 -12.389 514 HB2 ARG 65 HB2 ARG 65 -12.050 11.142 -12.345 515 HB3 ARG 65 HB3 ARG 65 -10.325 11.029 -12.035 516 HG2 ARG 65 HG2 ARG 65 -9.934 10.112 -14.216 517 HG3 ARG 65 HG3 ARG 65 -11.670 10.013 -14.529 518 HD2 ARG 65 HD2 ARG 65 -10.533 11.975 -15.591 519 HD3 ARG 65 HD3 ARG 65 -11.879 12.393 -14.531 520 HE ARG 65 HE ARG 65 -9.242 12.431 -13.316 521 HH11 ARG 65 1HH1 ARG 65 -11.733 14.294 -14.949 522 HH12 ARG 65 2HH1 ARG 65 -11.244 15.801 -14.225 523 HH21 ARG 65 1HH2 ARG 65 -8.588 14.429 -12.402 524 HH22 ARG 65 2HH2 ARG 65 -9.457 15.878 -12.812 525 H LYS 66 H LYS 66 -9.321 8.832 -10.454 526 HA LYS 66 HA LYS 66 -7.965 7.086 -12.388 527 HB2 LYS 66 HB2 LYS 66 -6.674 9.045 -11.748 528 HB3 LYS 66 HB3 LYS 66 -6.867 8.648 -10.045 529 HG2 LYS 66 HG2 LYS 66 -5.445 6.785 -10.205 530 HG3 LYS 66 HG3 LYS 66 -5.504 6.789 -11.967 531 HD2 LYS 66 HD2 LYS 66 -4.391 9.135 -10.472 532 HD3 LYS 66 HD3 LYS 66 -3.402 7.704 -10.758 533 HE2 LYS 66 HE2 LYS 66 -2.988 9.327 -12.493 534 HE3 LYS 66 HE3 LYS 66 -3.813 7.930 -13.180 535 HZ1 LYS 66 HZ1 LYS 66 -4.668 10.077 -13.991 536 HZ2 LYS 66 HZ2 LYS 66 -5.157 10.469 -12.414 537 HZ3 LYS 66 HZ3 LYS 66 -5.856 9.155 -13.217 538 H VAL 67 H VAL 67 -7.665 5.018 -11.975 539 HA VAL 67 HA VAL 67 -9.091 3.647 -10.057 540 HB VAL 67 HB VAL 67 -8.386 2.439 -11.956 541 HG11 VAL 67 HG11 VAL 67 -6.403 3.751 -12.501 542 HG12 VAL 67 HG12 VAL 67 -6.067 2.022 -12.549 543 HG13 VAL 67 HG13 VAL 67 -5.529 2.985 -11.173 544 HG21 VAL 67 HG21 VAL 67 -6.729 1.387 -9.669 545 HG22 VAL 67 HG22 VAL 67 -7.311 0.465 -11.057 546 HG23 VAL 67 HG23 VAL 67 -8.455 1.116 -9.885 547 H ALA 68 H ALA 68 -5.655 4.501 -9.962 548 HA ALA 68 HA ALA 68 -4.947 3.214 -7.619 549 HB1 ALA 68 1HB ALA 68 -3.329 4.174 -9.149 550 HB2 ALA 68 HB2 ALA 68 -3.078 4.809 -7.521 551 HB3 ALA 68 HB3 ALA 68 -3.877 5.800 -8.743 552 H ASN 69 H ASN 69 -6.407 6.446 -8.009 553 HA ASN 69 HA ASN 69 -6.102 7.124 -5.239 554 HB2 ASN 69 HB2 ASN 69 -6.371 8.796 -7.152 555 HB3 ASN 69 HB3 ASN 69 -8.079 8.377 -7.150 556 HD21 ASN 69 HD21 ASN 69 -9.394 9.089 -5.491 557 HD22 ASN 69 HD22 ASN 69 -8.865 10.236 -4.303 558 H ALA 70 H ALA 70 -8.782 6.066 -7.271 559 HA ALA 70 HA ALA 70 -10.823 5.971 -5.381 560 HB1 ALA 70 1HB ALA 70 -11.105 5.707 -7.823 561 HB2 ALA 70 HB2 ALA 70 -11.908 4.425 -6.914 562 HB3 ALA 70 HB3 ALA 70 -10.366 4.106 -7.715 563 H LYS 71 H LYS 71 -8.509 3.534 -6.355 564 HA LYS 71 HA LYS 71 -9.377 1.410 -4.735 565 HB2 LYS 71 HB2 LYS 71 -7.852 1.504 -6.794 566 HB3 LYS 71 HB3 LYS 71 -6.572 1.938 -5.680 567 HG2 LYS 71 HG2 LYS 71 -6.654 -0.166 -4.626 568 HG3 LYS 71 HG3 LYS 71 -8.166 -0.589 -5.442 569 HD2 LYS 71 HD2 LYS 71 -6.149 -1.640 -6.472 570 HD3 LYS 71 HD3 LYS 71 -7.074 -0.620 -7.579 571 HE2 LYS 71 HE2 LYS 71 -5.530 1.186 -7.300 572 HE3 LYS 71 HE3 LYS 71 -4.631 0.283 -6.078 573 HZ1 LYS 71 HZ1 LYS 71 -4.129 -1.385 -7.811 574 HZ2 LYS 71 HZ2 LYS 71 -3.485 0.142 -8.162 575 HZ3 LYS 71 HZ3 LYS 71 -4.875 -0.395 -8.966 576 H TYR 72 H TYR 72 -7.067 4.015 -4.292 577 HA TYR 72 HA TYR 72 -5.865 3.232 -1.896 578 HB2 TYR 72 HB2 TYR 72 -4.863 5.003 -3.074 579 HB3 TYR 72 HB3 TYR 72 -6.375 5.888 -3.215 580 HD1 TYR 72 HD2 TYR 72 -3.736 4.881 -0.802 581 HD2 TYR 72 HD1 TYR 72 -6.959 7.522 -1.653 582 HE1 TYR 72 HE2 TYR 72 -3.108 6.264 1.136 583 HE2 TYR 72 HE1 TYR 72 -6.342 8.909 0.274 584 HH TYR 72 HH TYR 72 -5.147 8.705 2.376 585 H ILE 73 H ILE 73 -8.690 5.304 -2.450 586 HA ILE 73 HA ILE 73 -9.319 5.848 0.220 587 HB ILE 73 HB ILE 73 -11.244 5.577 -2.091 588 HG12 ILE 73 HG12 ILE 73 -9.987 8.124 -1.103 589 HG13 ILE 73 HG13 ILE 73 -9.179 7.129 -2.309 590 HG21 ILE 73 HG21 ILE 73 -12.373 5.654 0.068 591 HG22 ILE 73 HG22 ILE 73 -12.621 7.166 -0.806 592 HG23 ILE 73 HG23 ILE 73 -11.453 7.093 0.513 593 HD11 ILE 73 HD11 ILE 73 -10.392 8.896 -3.377 594 HD12 ILE 73 HD12 ILE 73 -11.882 8.413 -2.563 595 HD13 ILE 73 HD13 ILE 73 -11.141 7.347 -3.761 596 H MET 74 H MET 74 -10.588 3.346 -1.953 597 HA MET 74 HA MET 74 -12.277 1.985 -0.247 598 HB2 MET 74 HB2 MET 74 -12.146 1.445 -2.598 599 HB3 MET 74 HB3 MET 74 -10.474 0.927 -2.434 600 HG2 MET 74 HG2 MET 74 -11.239 -0.899 -0.955 601 HG3 MET 74 HG3 MET 74 -12.904 -0.420 -1.283 602 HE1 MET 74 HE1 MET 74 -9.617 -0.895 -3.518 603 HE2 MET 74 HE2 MET 74 -9.961 -2.548 -4.033 604 HE3 MET 74 HE3 MET 74 -9.784 -2.178 -2.317 605 H LYS 75 H LYS 75 -8.830 1.355 -0.814 606 HA LYS 75 HA LYS 75 -8.591 -0.794 0.952 607 HB2 LYS 75 HB2 LYS 75 -6.588 1.171 -0.138 608 HB3 LYS 75 HB3 LYS 75 -6.120 -0.180 0.888 609 HG2 LYS 75 HG2 LYS 75 -6.826 -1.768 -0.692 610 HG3 LYS 75 HG3 LYS 75 -7.726 -0.564 -1.613 611 HD2 LYS 75 HD2 LYS 75 -5.730 0.443 -2.412 612 HD3 LYS 75 HD3 LYS 75 -4.734 -0.493 -1.288 613 HE2 LYS 75 HE2 LYS 75 -6.427 -1.698 -3.469 614 HE3 LYS 75 HE3 LYS 75 -4.709 -1.331 -3.650 615 HZ1 LYS 75 HZ1 LYS 75 -4.578 -2.775 -1.472 616 HZ2 LYS 75 HZ2 LYS 75 -4.590 -3.493 -3.004 617 HZ3 LYS 75 HZ3 LYS 75 -6.018 -3.438 -2.089 618 H GLN 76 H GLN 76 -7.901 2.666 1.475 619 HA GLN 76 HA GLN 76 -6.971 2.447 4.110 620 HB2 GLN 76 HB2 GLN 76 -8.313 4.698 2.628 621 HB3 GLN 76 HB3 GLN 76 -7.751 4.870 4.285 622 HG2 GLN 76 HG2 GLN 76 -5.997 4.076 1.973 623 HG3 GLN 76 HG3 GLN 76 -6.172 5.723 2.577 624 HE21 GLN 76 HE21 GLN 76 -3.809 4.013 2.448 625 HE22 GLN 76 HE22 GLN 76 -3.216 3.896 4.066 626 H ARG 77 H ARG 77 -10.219 2.369 2.849 627 HA ARG 77 HA ARG 77 -11.617 2.989 5.206 628 HB2 ARG 77 HB2 ARG 77 -12.396 1.240 2.876 629 HB3 ARG 77 HB3 ARG 77 -13.492 1.672 4.180 630 HG2 ARG 77 HG2 ARG 77 -12.114 3.697 2.437 631 HG3 ARG 77 HG3 ARG 77 -13.703 3.020 2.084 632 HD2 ARG 77 HD2 ARG 77 -14.008 5.122 3.188 633 HD3 ARG 77 HD3 ARG 77 -14.479 3.841 4.298 634 HE ARG 77 HE ARG 77 -11.828 5.128 4.455 635 HH11 ARG 77 1HH1 ARG 77 -14.861 4.167 5.945 636 HH12 ARG 77 2HH1 ARG 77 -14.373 4.651 7.542 637 HH21 ARG 77 1HH2 ARG 77 -11.167 5.701 6.563 638 HH22 ARG 77 2HH2 ARG 77 -12.262 5.489 7.900 639 H LEU 78 H LEU 78 -11.147 -0.290 3.798 640 HA LEU 78 HA LEU 78 -11.928 -1.516 6.261 641 HB2 LEU 78 HB2 LEU 78 -10.214 -3.146 4.519 642 HB3 LEU 78 HB3 LEU 78 -11.772 -3.510 5.236 643 HG LEU 78 HG LEU 78 -12.574 -1.761 3.377 644 HD11 LEU 78 HD11 LEU 78 -10.311 -1.370 2.527 645 HD12 LEU 78 HD12 LEU 78 -11.328 -2.136 1.308 646 HD13 LEU 78 HD13 LEU 78 -10.137 -3.093 2.190 647 HD21 LEU 78 HD21 LEU 78 -13.332 -4.084 3.757 648 HD22 LEU 78 HD22 LEU 78 -11.954 -4.651 2.812 649 HD23 LEU 78 HD23 LEU 78 -13.199 -3.662 2.050 650 H LEU 79 H LEU 79 -8.851 -0.593 4.881 651 HA LEU 79 HA LEU 79 -7.058 -1.955 6.472 652 HB2 LEU 79 HB2 LEU 79 -6.480 -0.447 4.585 653 HB3 LEU 79 HB3 LEU 79 -6.881 0.931 5.583 654 HG LEU 79 HG LEU 79 -4.408 0.298 5.230 655 HD11 LEU 79 HD11 LEU 79 -5.466 0.810 8.004 656 HD12 LEU 79 HD12 LEU 79 -5.168 2.023 6.757 657 HD13 LEU 79 HD13 LEU 79 -3.820 1.117 7.446 658 HD21 LEU 79 HD21 LEU 79 -4.599 -2.065 5.748 659 HD22 LEU 79 HD22 LEU 79 -5.147 -1.683 7.380 660 HD23 LEU 79 HD23 LEU 79 -3.506 -1.268 6.879 661 H LYS 80 H LYS 80 -8.718 1.090 7.146 662 HA LYS 80 HA LYS 80 -7.605 1.422 9.722 663 HB2 LYS 80 HB2 LYS 80 -9.801 2.664 8.170 664 HB3 LYS 80 HB3 LYS 80 -9.850 2.862 9.918 665 HG2 LYS 80 HG2 LYS 80 -7.552 3.606 8.123 666 HG3 LYS 80 HG3 LYS 80 -8.713 4.724 8.846 667 HD2 LYS 80 HD2 LYS 80 -6.738 2.962 10.293 668 HD3 LYS 80 HD3 LYS 80 -6.695 4.724 10.162 669 HE2 LYS 80 HE2 LYS 80 -8.858 4.813 11.374 670 HE3 LYS 80 HE3 LYS 80 -8.777 3.058 11.587 671 HZ1 LYS 80 HZ1 LYS 80 -6.825 5.053 12.624 672 HZ2 LYS 80 HZ2 LYS 80 -6.680 3.372 12.794 673 HZ3 LYS 80 HZ3 LYS 80 -7.964 4.197 13.544 674 H LEU 81 H LEU 81 -10.423 -0.246 8.525 675 HA LEU 81 HA LEU 81 -11.694 -0.541 11.020 676 HB2 LEU 81 HB2 LEU 81 -12.012 -1.654 8.296 677 HB3 LEU 81 HB3 LEU 81 -12.706 -2.590 9.605 678 HG LEU 81 HG LEU 81 -14.209 -0.873 10.185 679 HD11 LEU 81 HD11 LEU 81 -12.727 1.025 10.126 680 HD12 LEU 81 HD12 LEU 81 -14.187 1.355 9.193 681 HD13 LEU 81 HD13 LEU 81 -12.680 0.961 8.364 682 HD21 LEU 81 HD21 LEU 81 -15.413 -0.418 8.119 683 HD22 LEU 81 HD22 LEU 81 -14.839 -2.085 8.175 684 HD23 LEU 81 HD23 LEU 81 -13.995 -0.894 7.185 685 H LEU 82 H LEU 82 -9.316 -2.521 9.306 686 HA LEU 82 HA LEU 82 -9.529 -4.593 11.332 687 HB2 LEU 82 HB2 LEU 82 -7.638 -5.649 10.029 688 HB3 LEU 82 HB3 LEU 82 -9.177 -5.481 9.209 689 HG LEU 82 HG LEU 82 -7.857 -3.180 8.475 690 HD11 LEU 82 HD11 LEU 82 -5.754 -3.935 9.419 691 HD12 LEU 82 HD12 LEU 82 -5.665 -3.929 7.655 692 HD13 LEU 82 HD13 LEU 82 -5.871 -5.452 8.523 693 HD21 LEU 82 HD21 LEU 82 -9.197 -4.512 7.016 694 HD22 LEU 82 HD22 LEU 82 -8.055 -5.855 7.111 695 HD23 LEU 82 HD23 LEU 82 -7.590 -4.353 6.311 696 H GLU 83 H GLU 83 -7.599 -1.806 10.716 697 HA GLU 83 HA GLU 83 -5.493 -2.535 12.542 698 HB2 GLU 83 HB2 GLU 83 -6.265 0.077 11.234 699 HB3 GLU 83 HB3 GLU 83 -4.886 -0.088 12.312 700 HG2 GLU 83 HG2 GLU 83 -5.181 -1.791 9.864 701 HG3 GLU 83 HG3 GLU 83 -4.483 -0.175 9.792 702 H ASP 84 H ASP 84 -8.251 -0.311 12.601 703 HA ASP 84 HA ASP 84 -7.905 0.357 15.382 704 HB2 ASP 84 HB2 ASP 84 -8.839 2.042 13.930 705 HB3 ASP 84 HB3 ASP 84 -10.102 0.947 13.386 706 H LYS 85 H LYS 85 -9.449 -2.064 13.569 707 HA LYS 85 HA LYS 85 -10.631 -3.906 14.108 708 HB2 LYS 85 HB2 LYS 85 -10.229 -2.980 16.952 709 HB3 LYS 85 HB3 LYS 85 -10.912 -4.535 16.487 710 HG2 LYS 85 HG2 LYS 85 -8.168 -3.590 15.689 711 HG3 LYS 85 HG3 LYS 85 -8.500 -4.611 17.095 712 HD2 LYS 85 HD2 LYS 85 -9.174 -5.296 14.233 713 HD3 LYS 85 HD3 LYS 85 -7.790 -5.921 15.131 714 HE2 LYS 85 HE2 LYS 85 -10.700 -6.335 15.814 715 HE3 LYS 85 HE3 LYS 85 -9.613 -7.537 15.119 716 HZ1 LYS 85 HZ1 LYS 85 -9.901 -7.798 17.523 717 HZ2 LYS 85 HZ2 LYS 85 -9.247 -6.256 17.777 718 HZ3 LYS 85 HZ3 LYS 85 -8.290 -7.484 17.106 719 H SER 86 H SER 86 -11.864 -1.530 13.357 720 HA SER 86 HA SER 86 -14.237 -1.058 14.860 721 HB2 SER 86 HB2 SER 86 -13.835 -0.554 11.908 722 HB3 SER 86 HB3 SER 86 -14.908 0.302 13.013 723 HG SER 86 HG SER 86 -12.578 0.608 14.084 724 H ASN 87 H ASN 87 -16.098 -2.185 14.852 725 HA ASN 87 HA ASN 87 -16.142 -4.779 13.710 726 HB2 ASN 87 HB2 ASN 87 -18.376 -4.989 14.664 727 HB3 ASN 87 HB3 ASN 87 -17.269 -4.260 15.816 728 HD21 ASN 87 HD21 ASN 87 -17.583 -2.164 16.480 729 HD22 ASN 87 HD22 ASN 87 -19.019 -1.269 16.110 730 H LEU 88 H LEU 88 -16.572 -1.990 12.100 731 HA LEU 88 HA LEU 88 -18.955 -2.474 10.650 732 HB2 LEU 88 HB2 LEU 88 -16.554 -0.776 9.987 733 HB3 LEU 88 HB3 LEU 88 -17.998 -0.836 8.996 734 HG LEU 88 HG LEU 88 -18.302 1.081 10.264 735 HD11 LEU 88 HD11 LEU 88 -19.669 -1.103 11.826 736 HD12 LEU 88 HD12 LEU 88 -20.269 -0.346 10.348 737 HD13 LEU 88 HD13 LEU 88 -20.113 0.605 11.826 738 HD21 LEU 88 HD21 LEU 88 -16.436 0.803 11.795 739 HD22 LEU 88 HD22 LEU 88 -17.330 -0.426 12.689 740 HD23 LEU 88 HD23 LEU 88 -17.898 1.244 12.677 741 H LEU 89 H LEU 89 -15.552 -3.283 10.022 742 HA LEU 89 HA LEU 89 -16.393 -4.809 7.665 743 HB2 LEU 89 HB2 LEU 89 -14.398 -3.628 7.279 744 HB3 LEU 89 HB3 LEU 89 -13.706 -4.102 8.816 745 HG LEU 89 HG LEU 89 -13.771 -6.496 7.871 746 HD11 LEU 89 HD11 LEU 89 -15.205 -5.894 5.941 747 HD12 LEU 89 HD12 LEU 89 -13.724 -6.752 5.519 748 HD13 LEU 89 HD13 LEU 89 -13.832 -5.012 5.268 749 HD21 LEU 89 HD21 LEU 89 -11.597 -6.173 6.812 750 HD22 LEU 89 HD22 LEU 89 -11.744 -5.240 8.303 751 HD23 LEU 89 HD23 LEU 89 -11.894 -4.436 6.741 752 H LEU 90 H LEU 90 -15.889 -5.259 10.969 753 HA LEU 90 HA LEU 90 -15.048 -8.058 10.631 754 HB2 LEU 90 HB2 LEU 90 -14.707 -6.331 13.068 755 HB3 LEU 90 HB3 LEU 90 -13.922 -7.862 12.721 756 HG LEU 90 HG LEU 90 -13.476 -5.441 10.994 757 HD11 LEU 90 HD11 LEU 90 -12.019 -6.225 13.504 758 HD12 LEU 90 HD12 LEU 90 -12.895 -4.723 13.186 759 HD13 LEU 90 HD13 LEU 90 -11.409 -5.081 12.308 760 HD21 LEU 90 HD21 LEU 90 -12.804 -7.591 10.076 761 HD22 LEU 90 HD22 LEU 90 -11.849 -7.921 11.522 762 HD23 LEU 90 HD23 LEU 90 -11.397 -6.594 10.449 763 H TYR 91 H TYR 91 -17.923 -6.812 10.951 764 HA TYR 91 HA TYR 91 -18.854 -7.670 13.471 765 HB2 TYR 91 HB2 TYR 91 -21.094 -7.415 12.589 766 HB3 TYR 91 HB3 TYR 91 -20.092 -6.074 12.056 767 HD1 TYR 91 HD2 TYR 91 -21.514 -9.339 10.931 768 HD2 TYR 91 HD1 TYR 91 -19.915 -5.552 9.793 769 HE1 TYR 91 HE2 TYR 91 -22.194 -9.750 8.609 770 HE2 TYR 91 HE1 TYR 91 -20.583 -5.964 7.468 771 HH TYR 91 HH TYR 91 -22.767 -8.310 6.580 772 H SER 92 H SER 92 -20.443 -9.383 13.856 773 HA SER 92 HA SER 92 -19.461 -11.880 12.761 774 HB2 SER 92 HB2 SER 92 -21.497 -11.395 14.947 775 HB3 SER 92 HB3 SER 92 -20.723 -12.934 14.559 776 HG SER 92 HG SER 92 -18.797 -11.166 14.900 777 H CYS 93 H CYS 93 -20.685 -13.402 11.729 778 HA CYS 93 HA CYS 93 -23.474 -12.908 11.032 779 HB2 CYS 93 HB2 CYS 93 -23.134 -12.952 8.693 780 HB3 CYS 93 HB3 CYS 93 -21.919 -11.821 9.294 781 H ASN 94 H ASN 94 -24.412 -14.866 9.989 782 HA ASN 94 HA ASN 94 -22.913 -17.279 10.749 783 HB2 ASN 94 HB2 ASN 94 -25.236 -16.843 11.701 784 HB3 ASN 94 HB3 ASN 94 -25.856 -17.133 10.080 785 HD21 ASN 94 HD21 ASN 94 -25.624 -19.239 9.178 786 HD22 ASN 94 HD22 ASN 94 -25.420 -20.618 10.199 787 H CYS 95 H CYS 95 -21.665 -16.809 8.618 788 HA CYS 95 HA CYS 95 -23.045 -17.776 6.281 789 HB2 CYS 95 HB2 CYS 95 -20.219 -17.015 6.862 790 HB3 CYS 95 HB3 CYS 95 -20.578 -17.978 5.429 791 H LYS 96 H LYS 96 -20.649 -19.068 8.537 792 HA LYS 96 HA LYS 96 -21.420 -21.763 7.656 793 HB2 LYS 96 HB2 LYS 96 -19.239 -22.511 8.587 794 HB3 LYS 96 HB3 LYS 96 -19.072 -21.367 7.264 795 HG2 LYS 96 HG2 LYS 96 -18.698 -19.565 8.902 796 HG3 LYS 96 HG3 LYS 96 -18.774 -20.761 10.195 797 HD2 LYS 96 HD2 LYS 96 -16.800 -20.829 7.918 798 HD3 LYS 96 HD3 LYS 96 -16.462 -20.158 9.513 799 HE2 LYS 96 HE2 LYS 96 -16.915 -22.345 10.521 800 HE3 LYS 96 HE3 LYS 96 -17.223 -23.015 8.916 801 HZ1 LYS 96 HZ1 LYS 96 -14.660 -21.900 9.919 802 HZ2 LYS 96 HZ2 LYS 96 -14.930 -22.375 8.313 803 HZ3 LYS 96 HZ3 LYS 96 -14.986 -23.526 9.555 804 H PHE 97 H PHE 97 -20.765 -19.671 10.398 805 HA PHE 97 HA PHE 97 -22.857 -20.794 11.940 806 HB2 PHE 97 HB2 PHE 97 -21.602 -21.738 13.775 807 HB3 PHE 97 HB3 PHE 97 -21.029 -22.514 12.304 808 HD1 PHE 97 HD1 PHE 97 -20.233 -19.916 14.812 809 HD2 PHE 97 HD2 PHE 97 -18.762 -22.383 11.667 810 HE1 PHE 97 HE1 PHE 97 -17.948 -19.254 15.377 811 HE2 PHE 97 HE2 PHE 97 -16.461 -21.727 12.227 812 HZ PHE 97 HZ PHE 97 -16.044 -20.163 14.083 813 H SER 98 H SER 98 -22.505 -19.813 14.343 814 HA SER 98 HA SER 98 -20.818 -17.467 14.413 815 HB2 SER 98 HB2 SER 98 -23.775 -17.163 14.937 816 HB3 SER 98 HB3 SER 98 -22.539 -15.909 15.002 817 HG SER 98 HG SER 98 -22.317 -16.910 12.628 818 H LYS 99 H LYS 99 -21.158 -16.348 16.585 819 HA LYS 99 HA LYS 99 -21.284 -18.421 18.661 820 HB2 LYS 99 HB2 LYS 99 -20.108 -15.659 18.925 821 HB3 LYS 99 HB3 LYS 99 -19.749 -17.093 19.883 822 HG2 LYS 99 HG2 LYS 99 -18.404 -18.012 18.265 823 HG3 LYS 99 HG3 LYS 99 -19.193 -17.127 16.960 824 HD2 LYS 99 HD2 LYS 99 -17.213 -16.087 18.969 825 HD3 LYS 99 HD3 LYS 99 -17.035 -16.212 17.219 826 HE2 LYS 99 HE2 LYS 99 -18.902 -14.574 16.985 827 HE3 LYS 99 HE3 LYS 99 -18.858 -14.355 18.733 828 HZ1 LYS 99 HZ1 LYS 99 -16.507 -13.674 18.494 829 HZ2 LYS 99 HZ2 LYS 99 -17.591 -12.634 17.707 830 HZ3 LYS 99 HZ3 LYS 99 -16.683 -13.753 16.808 831 H LYS 100 H LYS 100 -22.934 -18.342 20.085 832 HA LYS 100 HA LYS 100 -24.877 -16.219 19.748 833 HB2 LYS 100 HB2 LYS 100 -25.587 -18.585 19.842 834 HB3 LYS 100 HB3 LYS 100 -24.999 -18.675 21.494 835 HG2 LYS 100 HG2 LYS 100 -26.991 -16.581 20.822 836 HG3 LYS 100 HG3 LYS 100 -27.537 -18.254 20.949 837 HD2 LYS 100 HD2 LYS 100 -26.603 -18.385 23.206 838 HD3 LYS 100 HD3 LYS 100 -26.039 -16.719 23.073 839 HE2 LYS 100 HE2 LYS 100 -28.102 -16.824 24.347 840 HE3 LYS 100 HE3 LYS 100 -28.351 -15.960 22.831 841 HZ1 LYS 100 HZ1 LYS 100 -30.023 -17.771 23.628 842 HZ2 LYS 100 HZ2 LYS 100 -28.911 -18.840 22.919 843 HZ3 LYS 100 HZ3 LYS 100 -29.636 -17.626 21.984 844 H LYS 101 H LYS 101 -24.479 -14.448 20.735 845 HA LYS 101 HA LYS 101 -24.046 -12.886 22.289 846 HB2 LYS 101 HB2 LYS 101 -24.865 -15.108 24.154 847 HB3 LYS 101 HB3 LYS 101 -24.548 -13.461 24.682 848 HG2 LYS 101 HG2 LYS 101 -26.682 -14.349 22.752 849 HG3 LYS 101 HG3 LYS 101 -26.919 -13.804 24.412 850 HD2 LYS 101 HD2 LYS 101 -25.662 -12.069 22.299 851 HD3 LYS 101 HD3 LYS 101 -27.401 -12.121 22.562 852 HE2 LYS 101 HE2 LYS 101 -26.525 -10.242 23.745 853 HE3 LYS 101 HE3 LYS 101 -26.996 -11.458 24.930 854 HZ1 LYS 101 HZ1 LYS 101 -24.721 -12.062 25.238 855 HZ2 LYS 101 HZ2 LYS 101 -24.828 -10.380 25.388 856 HZ3 LYS 101 HZ3 LYS 101 -24.209 -11.063 23.963 Start of MODEL 13 1 H MET 1 H MET 1 3.320 -0.763 -5.633 2 HA MET 1 HA MET 1 2.823 1.076 -3.369 3 HB2 MET 1 HB2 MET 1 1.426 1.482 -5.364 4 HB3 MET 1 HB3 MET 1 0.940 -0.208 -5.366 5 HG2 MET 1 HG2 MET 1 -0.050 0.144 -3.111 6 HG3 MET 1 HG3 MET 1 0.315 1.859 -3.274 7 HE1 MET 1 HE1 MET 1 -2.589 0.792 -2.624 8 HE2 MET 1 HE2 MET 1 -3.560 1.797 -3.701 9 HE3 MET 1 HE3 MET 1 -2.197 2.499 -2.832 10 H LYS 2 H LYS 2 3.211 -0.108 -1.581 11 HA LYS 2 HA LYS 2 2.335 -2.883 -1.504 12 HB2 LYS 2 HB2 LYS 2 3.389 -2.989 0.697 13 HB3 LYS 2 HB3 LYS 2 4.505 -2.355 -0.499 14 HG2 LYS 2 HG2 LYS 2 4.912 -0.975 1.287 15 HG3 LYS 2 HG3 LYS 2 3.717 -0.036 0.394 16 HD2 LYS 2 HD2 LYS 2 3.203 -0.028 2.776 17 HD3 LYS 2 HD3 LYS 2 1.953 -0.891 1.880 18 HE2 LYS 2 HE2 LYS 2 2.529 -2.077 3.929 19 HE3 LYS 2 HE3 LYS 2 2.972 -3.024 2.511 20 HZ1 LYS 2 HZ1 LYS 2 4.706 -3.077 4.184 21 HZ2 LYS 2 HZ2 LYS 2 4.837 -1.385 4.147 22 HZ3 LYS 2 HZ3 LYS 2 5.261 -2.299 2.784 23 H GLY 3 H GLY 3 0.874 -3.640 0.143 24 HA2 GLY 3 HA2 GLY 3 -0.652 -2.772 1.976 25 HA3 GLY 3 HA3 GLY 3 -1.115 -1.556 0.792 26 H ASP 4 H ASP 4 -0.654 -5.077 0.772 27 HA ASP 4 HA ASP 4 -2.925 -5.469 -0.925 28 HB2 ASP 4 HB2 ASP 4 -2.517 -7.916 -0.392 29 HB3 ASP 4 HB3 ASP 4 -1.206 -7.065 -1.200 30 H ILE 5 H ILE 5 -4.339 -4.268 0.406 31 HA ILE 5 HA ILE 5 -5.171 -4.968 2.978 32 HB ILE 5 HB ILE 5 -5.729 -2.982 1.152 33 HG12 ILE 5 HG12 ILE 5 -5.631 -2.673 3.551 34 HG13 ILE 5 HG13 ILE 5 -7.139 -2.014 2.931 35 HG21 ILE 5 HG21 ILE 5 -8.287 -4.505 1.601 36 HG22 ILE 5 HG22 ILE 5 -7.441 -4.309 0.066 37 HG23 ILE 5 HG23 ILE 5 -8.148 -2.908 0.869 38 HD11 ILE 5 HD11 ILE 5 -6.801 -4.650 4.335 39 HD12 ILE 5 HD12 ILE 5 -8.318 -4.003 3.705 40 HD13 ILE 5 HD13 ILE 5 -7.481 -3.172 5.018 41 H GLU 6 H GLU 6 -5.889 -6.268 -0.141 42 HA GLU 6 HA GLU 6 -8.372 -7.478 0.421 43 HB2 GLU 6 HB2 GLU 6 -6.270 -8.286 -1.600 44 HB3 GLU 6 HB3 GLU 6 -7.939 -8.834 -1.590 45 HG2 GLU 6 HG2 GLU 6 -7.844 -7.158 -3.218 46 HG3 GLU 6 HG3 GLU 6 -8.600 -6.403 -1.815 47 H HIS 7 H HIS 7 -5.031 -8.573 0.763 48 HA HIS 7 HA HIS 7 -5.714 -11.201 1.567 49 HB2 HIS 7 HB2 HIS 7 -3.235 -9.550 2.045 50 HB3 HIS 7 HB3 HIS 7 -3.404 -11.214 2.599 51 HD1 HIS 7 HD1 HIS 7 -1.595 -9.731 0.158 52 HD2 HIS 7 HD2 HIS 7 -4.586 -12.614 -0.036 53 HE1 HIS 7 HE1 HIS 7 -1.258 -10.961 -2.032 54 H LYS 8 H LYS 8 -5.167 -8.182 3.313 55 HA LYS 8 HA LYS 8 -5.187 -9.209 5.920 56 HB2 LYS 8 HB2 LYS 8 -6.406 -6.541 5.261 57 HB3 LYS 8 HB3 LYS 8 -5.502 -7.010 6.690 58 HG2 LYS 8 HG2 LYS 8 -4.406 -6.536 3.936 59 HG3 LYS 8 HG3 LYS 8 -4.196 -5.514 5.353 60 HD2 LYS 8 HD2 LYS 8 -2.998 -7.393 6.457 61 HD3 LYS 8 HD3 LYS 8 -3.112 -8.300 4.943 62 HE2 LYS 8 HE2 LYS 8 -1.911 -6.453 3.805 63 HE3 LYS 8 HE3 LYS 8 -1.723 -5.656 5.368 64 HZ1 LYS 8 HZ1 LYS 8 -0.700 -8.379 4.774 65 HZ2 LYS 8 HZ2 LYS 8 -0.365 -7.428 6.140 66 HZ3 LYS 8 HZ3 LYS 8 0.236 -6.971 4.624 67 H VAL 9 H VAL 9 -7.849 -7.931 3.942 68 HA VAL 9 HA VAL 9 -9.825 -8.290 5.922 69 HB VAL 9 HB VAL 9 -10.137 -6.750 4.061 70 HG11 VAL 9 HG11 VAL 9 -10.730 -7.537 1.826 71 HG12 VAL 9 HG12 VAL 9 -10.380 -9.191 2.329 72 HG13 VAL 9 HG13 VAL 9 -9.086 -7.995 2.275 73 HG21 VAL 9 HG21 VAL 9 -12.462 -7.260 3.536 74 HG22 VAL 9 HG22 VAL 9 -12.106 -7.587 5.233 75 HG23 VAL 9 HG23 VAL 9 -12.224 -8.919 4.084 76 H TYR 10 H TYR 10 -8.605 -10.416 3.376 77 HA TYR 10 HA TYR 10 -10.609 -12.408 3.753 78 HB2 TYR 10 HB2 TYR 10 -7.812 -12.714 2.642 79 HB3 TYR 10 HB3 TYR 10 -9.072 -13.930 2.552 80 HD1 TYR 10 HD2 TYR 10 -11.005 -11.245 2.085 81 HD2 TYR 10 HD1 TYR 10 -7.777 -13.184 0.111 82 HE1 TYR 10 HE2 TYR 10 -11.754 -10.298 -0.053 83 HE2 TYR 10 HE1 TYR 10 -8.516 -12.238 -2.036 84 HH TYR 10 HH TYR 10 -10.804 -9.738 -2.244 85 H GLN 11 H GLN 11 -7.588 -11.621 5.288 86 HA GLN 11 HA GLN 11 -6.909 -14.068 6.446 87 HB2 GLN 11 HB2 GLN 11 -6.405 -11.248 7.375 88 HB3 GLN 11 HB3 GLN 11 -5.753 -12.648 8.212 89 HG2 GLN 11 HG2 GLN 11 -5.185 -11.835 5.371 90 HG3 GLN 11 HG3 GLN 11 -4.099 -11.672 6.749 91 HE21 GLN 11 HE21 GLN 11 -5.518 -13.824 4.457 92 HE22 GLN 11 HE22 GLN 11 -4.500 -15.188 4.780 93 H LEU 12 H LEU 12 -8.628 -11.378 7.968 94 HA LEU 12 HA LEU 12 -9.123 -12.983 10.313 95 HB2 LEU 12 HB2 LEU 12 -10.454 -10.713 10.838 96 HB3 LEU 12 HB3 LEU 12 -8.748 -10.941 11.121 97 HG LEU 12 HG LEU 12 -8.384 -9.916 8.801 98 HD11 LEU 12 HD11 LEU 12 -11.226 -9.040 9.292 99 HD12 LEU 12 HD12 LEU 12 -10.668 -10.089 7.988 100 HD13 LEU 12 HD13 LEU 12 -10.155 -8.402 8.046 101 HD21 LEU 12 HD21 LEU 12 -8.491 -7.660 9.702 102 HD22 LEU 12 HD22 LEU 12 -7.861 -8.789 10.901 103 HD23 LEU 12 HD23 LEU 12 -9.527 -8.220 11.014 104 H LEU 13 H LEU 13 -11.005 -11.722 7.631 105 HA LEU 13 HA LEU 13 -13.530 -12.256 8.752 106 HB2 LEU 13 HB2 LEU 13 -12.641 -12.065 5.892 107 HB3 LEU 13 HB3 LEU 13 -14.313 -12.335 6.351 108 HG LEU 13 HG LEU 13 -12.620 -9.912 6.895 109 HD11 LEU 13 HD11 LEU 13 -14.412 -8.778 5.690 110 HD12 LEU 13 HD12 LEU 13 -15.250 -10.316 5.482 111 HD13 LEU 13 HD13 LEU 13 -13.686 -10.053 4.710 112 HD21 LEU 13 HD21 LEU 13 -13.824 -10.446 8.933 113 HD22 LEU 13 HD22 LEU 13 -15.327 -10.605 8.026 114 HD23 LEU 13 HD23 LEU 13 -14.537 -9.033 8.153 115 H LYS 14 H LYS 14 -11.518 -14.251 6.601 116 HA LYS 14 HA LYS 14 -13.310 -16.440 6.567 117 HB2 LYS 14 HB2 LYS 14 -11.591 -17.659 5.498 118 HB3 LYS 14 HB3 LYS 14 -11.365 -15.992 4.986 119 HG2 LYS 14 HG2 LYS 14 -9.211 -16.518 5.444 120 HG3 LYS 14 HG3 LYS 14 -9.699 -15.972 7.047 121 HD2 LYS 14 HD2 LYS 14 -10.082 -18.276 7.734 122 HD3 LYS 14 HD3 LYS 14 -9.657 -18.843 6.118 123 HE2 LYS 14 HE2 LYS 14 -7.745 -19.156 7.499 124 HE3 LYS 14 HE3 LYS 14 -7.410 -17.792 6.435 125 HZ1 LYS 14 HZ1 LYS 14 -8.038 -16.304 8.290 126 HZ2 LYS 14 HZ2 LYS 14 -6.687 -17.269 8.641 127 HZ3 LYS 14 HZ3 LYS 14 -8.199 -17.663 9.297 128 H ASP 15 H ASP 15 -11.031 -15.305 8.868 129 HA ASP 15 HA ASP 15 -10.739 -17.701 10.389 130 HB2 ASP 15 HB2 ASP 15 -9.077 -15.935 10.520 131 HB3 ASP 15 HB3 ASP 15 -10.282 -14.799 11.105 132 H GLN 16 H GLN 16 -12.691 -14.771 10.736 133 HA GLN 16 HA GLN 16 -14.070 -15.569 13.075 134 HB2 GLN 16 HB2 GLN 16 -15.210 -13.766 10.938 135 HB3 GLN 16 HB3 GLN 16 -15.589 -13.783 12.652 136 HG2 GLN 16 HG2 GLN 16 -12.892 -13.300 12.579 137 HG3 GLN 16 HG3 GLN 16 -13.511 -12.412 11.195 138 HE21 GLN 16 HE21 GLN 16 -13.302 -10.428 11.979 139 HE22 GLN 16 HE22 GLN 16 -14.191 -9.796 13.320 140 H GLY 17 H GLY 17 -14.562 -16.132 9.685 141 HA2 GLY 17 HA2 GLY 17 -15.705 -18.273 9.182 142 HA3 GLY 17 HA3 GLY 17 -16.919 -17.775 10.353 143 H CYS 18 H CYS 18 -15.402 -15.613 8.029 144 HA CYS 18 HA CYS 18 -18.005 -15.508 6.635 145 HB2 CYS 18 HB2 CYS 18 -16.924 -13.386 7.717 146 HB3 CYS 18 HB3 CYS 18 -15.899 -13.402 6.280 147 H GLU 19 H GLU 19 -18.114 -15.691 4.432 148 HA GLU 19 HA GLU 19 -15.627 -16.195 2.951 149 HB2 GLU 19 HB2 GLU 19 -16.624 -18.343 3.459 150 HB3 GLU 19 HB3 GLU 19 -18.189 -17.797 2.885 151 HG2 GLU 19 HG2 GLU 19 -17.393 -17.717 0.627 152 HG3 GLU 19 HG3 GLU 19 -15.753 -18.090 1.152 153 H ASP 20 H ASP 20 -18.287 -14.328 3.288 154 HA ASP 20 HA ASP 20 -18.793 -14.015 0.427 155 HB2 ASP 20 HB2 ASP 20 -20.730 -14.642 1.896 156 HB3 ASP 20 HB3 ASP 20 -20.533 -13.098 2.722 157 H PHE 21 H PHE 21 -17.062 -12.672 0.055 158 HA PHE 21 HA PHE 21 -17.585 -9.896 0.353 159 HB2 PHE 21 HB2 PHE 21 -15.316 -9.443 1.515 160 HB3 PHE 21 HB3 PHE 21 -16.675 -9.934 2.515 161 HD1 PHE 21 HD1 PHE 21 -13.446 -10.989 1.101 162 HD2 PHE 21 HD2 PHE 21 -16.668 -12.027 3.669 163 HE1 PHE 21 HE1 PHE 21 -12.101 -12.806 2.054 164 HE2 PHE 21 HE2 PHE 21 -15.334 -13.843 4.620 165 HZ PHE 21 HZ PHE 21 -13.037 -14.234 3.822 166 H GLY 22 H GLY 22 -16.306 -8.626 -1.007 167 HA2 GLY 22 HA2 GLY 22 -14.040 -9.666 -2.408 168 HA3 GLY 22 HA3 GLY 22 -15.497 -9.749 -3.390 169 H THR 23 H THR 23 -14.020 -8.263 -4.687 170 HA THR 23 HA THR 23 -14.525 -5.481 -3.846 171 HB THR 23 HB THR 23 -12.418 -4.912 -5.163 172 HG1 THR 23 HG1 THR 23 -12.428 -7.647 -5.395 173 HG21 THR 23 HG21 THR 23 -12.100 -6.554 -2.652 174 HG22 THR 23 HG22 THR 23 -12.503 -4.839 -2.720 175 HG23 THR 23 HG23 THR 23 -10.929 -5.397 -3.288 176 H LYS 24 H LYS 24 -15.169 -4.038 -5.455 177 HA LYS 24 HA LYS 24 -15.547 -5.225 -8.130 178 HB2 LYS 24 HB2 LYS 24 -17.444 -3.868 -8.504 179 HB3 LYS 24 HB3 LYS 24 -17.646 -4.488 -6.873 180 HG2 LYS 24 HG2 LYS 24 -17.201 -2.417 -5.900 181 HG3 LYS 24 HG3 LYS 24 -16.419 -1.794 -7.356 182 HD2 LYS 24 HD2 LYS 24 -18.674 -1.980 -8.488 183 HD3 LYS 24 HD3 LYS 24 -19.355 -2.283 -6.890 184 HE2 LYS 24 HE2 LYS 24 -18.542 -0.134 -6.111 185 HE3 LYS 24 HE3 LYS 24 -17.769 0.162 -7.667 186 HZ1 LYS 24 HZ1 LYS 24 -20.036 0.024 -8.674 187 HZ2 LYS 24 HZ2 LYS 24 -19.812 1.345 -7.638 188 HZ3 LYS 24 HZ3 LYS 24 -20.676 -0.006 -7.106 189 H CYS 25 H CYS 25 -14.657 -4.266 -9.847 190 HA CYS 25 HA CYS 25 -13.395 -1.630 -9.454 191 HB2 CYS 25 HB2 CYS 25 -11.763 -2.410 -11.255 192 HB3 CYS 25 HB3 CYS 25 -11.595 -3.151 -9.668 193 HG CYS 25 HG CYS 25 -13.629 -5.066 -11.289 194 H VAL 26 H VAL 26 -15.423 -0.770 -10.134 195 HA VAL 26 HA VAL 26 -16.213 -1.365 -12.903 196 HB VAL 26 HB VAL 26 -17.806 -0.052 -10.694 197 HG11 VAL 26 HG11 VAL 26 -18.656 -0.983 -13.432 198 HG12 VAL 26 HG12 VAL 26 -18.483 0.693 -12.906 199 HG13 VAL 26 HG13 VAL 26 -19.722 -0.336 -12.184 200 HG21 VAL 26 HG21 VAL 26 -17.382 -2.387 -10.199 201 HG22 VAL 26 HG22 VAL 26 -17.957 -2.851 -11.801 202 HG23 VAL 26 HG23 VAL 26 -19.075 -2.148 -10.631 203 H ILE 27 H ILE 27 -15.604 0.133 -14.379 204 HA ILE 27 HA ILE 27 -15.015 2.831 -13.603 205 HB ILE 27 HB ILE 27 -15.419 1.669 -16.360 206 HG12 ILE 27 HG12 ILE 27 -12.927 2.462 -14.836 207 HG13 ILE 27 HG13 ILE 27 -13.436 0.813 -15.206 208 HG21 ILE 27 HG21 ILE 27 -14.329 4.367 -15.572 209 HG22 ILE 27 HG22 ILE 27 -15.957 4.086 -16.196 210 HG23 ILE 27 HG23 ILE 27 -14.550 3.753 -17.212 211 HD11 ILE 27 HD11 ILE 27 -12.686 2.916 -17.223 212 HD12 ILE 27 HD12 ILE 27 -13.168 1.257 -17.583 213 HD13 ILE 27 HD13 ILE 27 -11.673 1.570 -16.699 214 H GLU 28 H GLU 28 -16.340 4.484 -13.456 215 HA GLU 28 HA GLU 28 -19.034 4.286 -14.596 216 HB2 GLU 28 HB2 GLU 28 -18.319 5.241 -11.818 217 HB3 GLU 28 HB3 GLU 28 -19.941 5.219 -12.508 218 HG2 GLU 28 HG2 GLU 28 -19.879 2.806 -12.646 219 HG3 GLU 28 HG3 GLU 28 -18.220 2.787 -12.061 220 H GLU 29 H GLU 29 -19.140 5.861 -16.039 221 HA GLU 29 HA GLU 29 -17.241 8.022 -15.938 222 HB2 GLU 29 HB2 GLU 29 -17.648 8.361 -18.172 223 HB3 GLU 29 HB3 GLU 29 -18.131 6.681 -18.022 224 HG2 GLU 29 HG2 GLU 29 -20.021 9.022 -17.986 225 HG3 GLU 29 HG3 GLU 29 -19.662 8.031 -19.395 226 H VAL 30 H VAL 30 -17.825 10.266 -16.249 227 HA VAL 30 HA VAL 30 -20.459 11.006 -15.165 228 HB VAL 30 HB VAL 30 -17.832 12.281 -14.355 229 HG11 VAL 30 HG11 VAL 30 -19.210 13.585 -12.789 230 HG12 VAL 30 HG12 VAL 30 -20.660 12.880 -13.505 231 HG13 VAL 30 HG13 VAL 30 -19.610 13.914 -14.475 232 HG21 VAL 30 HG21 VAL 30 -18.140 10.112 -13.289 233 HG22 VAL 30 HG22 VAL 30 -19.743 10.601 -12.737 234 HG23 VAL 30 HG23 VAL 30 -18.309 11.421 -12.119 235 H LYS 31 H LYS 31 -21.454 12.348 -16.530 236 HA LYS 31 HA LYS 31 -20.112 13.352 -18.835 237 HB2 LYS 31 HB2 LYS 31 -22.908 13.789 -17.787 238 HB3 LYS 31 HB3 LYS 31 -22.325 14.506 -19.280 239 HG2 LYS 31 HG2 LYS 31 -23.502 12.602 -19.942 240 HG3 LYS 31 HG3 LYS 31 -21.805 12.132 -20.034 241 HD2 LYS 31 HD2 LYS 31 -21.985 10.980 -17.902 242 HD3 LYS 31 HD3 LYS 31 -23.657 11.521 -17.730 243 HE2 LYS 31 HE2 LYS 31 -24.227 10.283 -19.796 244 HE3 LYS 31 HE3 LYS 31 -22.571 9.681 -19.862 245 HZ1 LYS 31 HZ1 LYS 31 -24.180 8.120 -18.839 246 HZ2 LYS 31 HZ2 LYS 31 -24.408 9.222 -17.575 247 HZ3 LYS 31 HZ3 LYS 31 -22.884 8.515 -17.819 248 H SER 32 H SER 32 -18.467 14.589 -17.762 249 HA SER 32 HA SER 32 -19.266 17.057 -16.464 250 HB2 SER 32 HB2 SER 32 -17.352 15.794 -15.573 251 HB3 SER 32 HB3 SER 32 -16.523 15.942 -17.121 252 HG SER 32 HG SER 32 -17.198 18.019 -15.298 253 H SER 33 H SER 33 -17.907 15.955 -19.504 254 HA SER 33 HA SER 33 -17.731 18.706 -20.470 255 HB2 SER 33 HB2 SER 33 -15.827 17.139 -20.885 256 HB3 SER 33 HB3 SER 33 -16.906 16.143 -21.860 257 HG SER 33 HG SER 33 -15.485 17.938 -22.847 258 H HIS 34 H HIS 34 -18.978 19.465 -22.143 259 HA HIS 34 HA HIS 34 -21.314 17.807 -22.800 260 HB2 HIS 34 HB2 HIS 34 -22.461 19.964 -23.287 261 HB3 HIS 34 HB3 HIS 34 -21.950 19.806 -21.612 262 HD1 HIS 34 HD1 HIS 34 -21.570 21.971 -24.593 263 HD2 HIS 34 HD2 HIS 34 -19.714 21.438 -20.908 264 HE1 HIS 34 HE1 HIS 34 -20.162 24.032 -24.196 265 H LYS 35 H LYS 35 -18.500 18.316 -24.104 266 HA LYS 35 HA LYS 35 -19.599 18.499 -26.822 267 HB2 LYS 35 HB2 LYS 35 -17.050 19.749 -25.803 268 HB3 LYS 35 HB3 LYS 35 -17.424 19.560 -27.510 269 HG2 LYS 35 HG2 LYS 35 -19.386 20.981 -27.250 270 HG3 LYS 35 HG3 LYS 35 -19.042 21.149 -25.528 271 HD2 LYS 35 HD2 LYS 35 -16.971 22.281 -25.999 272 HD3 LYS 35 HD3 LYS 35 -17.162 21.990 -27.729 273 HE2 LYS 35 HE2 LYS 35 -19.047 23.631 -26.041 274 HE3 LYS 35 HE3 LYS 35 -17.755 24.294 -27.040 275 HZ1 LYS 35 HZ1 LYS 35 -18.812 23.350 -28.993 276 HZ2 LYS 35 HZ2 LYS 35 -19.887 24.376 -28.175 277 HZ3 LYS 35 HZ3 LYS 35 -20.054 22.695 -28.041 278 H THR 36 H THR 36 -19.644 16.149 -26.599 279 HA THR 36 HA THR 36 -16.983 14.997 -27.080 280 HB THR 36 HB THR 36 -18.515 12.803 -26.780 281 HG1 THR 36 HG1 THR 36 -20.419 13.661 -26.160 282 HG21 THR 36 HG21 THR 36 -16.431 13.286 -25.612 283 HG22 THR 36 HG22 THR 36 -17.654 12.703 -24.482 284 HG23 THR 36 HG23 THR 36 -17.272 14.423 -24.557 285 H LEU 37 H LEU 37 -16.945 15.709 -29.225 286 HA LEU 37 HA LEU 37 -18.962 14.601 -31.035 287 HB2 LEU 37 HB2 LEU 37 -16.825 16.684 -31.439 288 HB3 LEU 37 HB3 LEU 37 -17.866 16.096 -32.720 289 HG LEU 37 HG LEU 37 -18.839 17.510 -30.234 290 HD11 LEU 37 HD11 LEU 37 -18.482 18.521 -33.052 291 HD12 LEU 37 HD12 LEU 37 -17.559 19.022 -31.636 292 HD13 LEU 37 HD13 LEU 37 -19.279 19.395 -31.743 293 HD21 LEU 37 HD21 LEU 37 -20.961 17.621 -31.421 294 HD22 LEU 37 HD22 LEU 37 -20.459 15.945 -31.196 295 HD23 LEU 37 HD23 LEU 37 -20.268 16.721 -32.769 296 H LEU 38 H LEU 38 -16.146 13.613 -29.757 297 HA LEU 38 HA LEU 38 -14.800 12.694 -32.112 298 HB2 LEU 38 HB2 LEU 38 -13.221 11.729 -30.720 299 HB3 LEU 38 HB3 LEU 38 -13.796 13.068 -29.745 300 HG LEU 38 HG LEU 38 -15.035 10.361 -29.387 301 HD11 LEU 38 HD11 LEU 38 -12.481 11.245 -28.065 302 HD12 LEU 38 HD12 LEU 38 -12.594 10.043 -29.353 303 HD13 LEU 38 HD13 LEU 38 -13.369 9.734 -27.792 304 HD21 LEU 38 HD21 LEU 38 -16.019 12.298 -28.269 305 HD22 LEU 38 HD22 LEU 38 -14.468 12.647 -27.503 306 HD23 LEU 38 HD23 LEU 38 -15.330 11.156 -27.112 307 H ASN 39 H ASN 39 -15.182 10.947 -33.254 308 HA ASN 39 HA ASN 39 -16.374 9.123 -34.022 309 HB2 ASN 39 HB2 ASN 39 -14.245 8.343 -33.006 310 HB3 ASN 39 HB3 ASN 39 -15.114 8.008 -31.515 311 HD21 ASN 39 HD21 ASN 39 -13.603 6.256 -33.303 312 HD22 ASN 39 HD22 ASN 39 -14.693 4.982 -33.742 313 H THR 40 H THR 40 -16.673 7.837 -30.823 314 HA THR 40 HA THR 40 -19.464 8.656 -30.630 315 HB THR 40 HB THR 40 -19.717 6.201 -29.659 316 HG1 THR 40 HG1 THR 40 -17.805 5.944 -31.770 317 HG21 THR 40 HG21 THR 40 -20.761 5.558 -31.781 318 HG22 THR 40 HG22 THR 40 -19.933 6.887 -32.591 319 HG23 THR 40 HG23 THR 40 -21.151 7.227 -31.361 320 H GLU 41 H GLU 41 -18.279 10.055 -29.104 321 HA GLU 41 HA GLU 41 -17.781 10.746 -26.991 322 HB2 GLU 41 HB2 GLU 41 -19.646 8.460 -26.355 323 HB3 GLU 41 HB3 GLU 41 -19.135 9.671 -25.188 324 HG2 GLU 41 HG2 GLU 41 -20.209 11.411 -26.466 325 HG3 GLU 41 HG3 GLU 41 -20.624 10.259 -27.735 326 H LEU 42 H LEU 42 -15.902 8.859 -28.129 327 HA LEU 42 HA LEU 42 -15.207 6.830 -26.370 328 HB2 LEU 42 HB2 LEU 42 -13.440 8.315 -28.278 329 HB3 LEU 42 HB3 LEU 42 -12.987 6.837 -27.450 330 HG LEU 42 HG LEU 42 -15.200 7.144 -29.481 331 HD11 LEU 42 HD11 LEU 42 -12.588 5.644 -29.581 332 HD12 LEU 42 HD12 LEU 42 -12.951 7.147 -30.430 333 HD13 LEU 42 HD13 LEU 42 -13.822 5.670 -30.841 334 HD21 LEU 42 HD21 LEU 42 -15.464 4.714 -29.277 335 HD22 LEU 42 HD22 LEU 42 -15.853 5.542 -27.770 336 HD23 LEU 42 HD23 LEU 42 -14.311 4.704 -27.943 337 H HIS 43 H HIS 43 -14.174 10.179 -26.395 338 HA HIS 43 HA HIS 43 -12.693 9.675 -23.916 339 HB2 HIS 43 HB2 HIS 43 -12.389 11.730 -26.063 340 HB3 HIS 43 HB3 HIS 43 -11.889 12.132 -24.425 341 HD1 HIS 43 HD1 HIS 43 -10.744 10.371 -27.447 342 HD2 HIS 43 HD2 HIS 43 -9.836 10.399 -23.391 343 HE1 HIS 43 HE1 HIS 43 -8.494 9.247 -27.217 344 H LEU 44 H LEU 44 -14.383 9.667 -22.507 345 HA LEU 44 HA LEU 44 -15.577 12.302 -22.006 346 HB2 LEU 44 HB2 LEU 44 -17.154 10.529 -22.977 347 HB3 LEU 44 HB3 LEU 44 -16.939 9.657 -21.475 348 HG LEU 44 HG LEU 44 -19.045 11.107 -21.781 349 HD11 LEU 44 HD11 LEU 44 -19.089 11.709 -19.412 350 HD12 LEU 44 HD12 LEU 44 -17.352 11.411 -19.310 351 HD13 LEU 44 HD13 LEU 44 -18.457 10.084 -19.668 352 HD21 LEU 44 HD21 LEU 44 -17.054 13.266 -21.094 353 HD22 LEU 44 HD22 LEU 44 -18.807 13.446 -21.107 354 HD23 LEU 44 HD23 LEU 44 -17.946 13.113 -22.609 355 H THR 45 H THR 45 -15.731 12.843 -19.795 356 HA THR 45 HA THR 45 -13.666 11.998 -18.146 357 HB THR 45 HB THR 45 -16.217 13.090 -16.998 358 HG1 THR 45 HG1 THR 45 -14.266 14.644 -18.401 359 HG21 THR 45 HG21 THR 45 -14.622 14.416 -15.646 360 HG22 THR 45 HG22 THR 45 -13.286 13.627 -16.485 361 HG23 THR 45 HG23 THR 45 -14.372 12.681 -15.467 362 H LYS 46 H LYS 46 -13.422 9.969 -17.466 363 HA LYS 46 HA LYS 46 -15.771 8.670 -16.277 364 HB2 LYS 46 HB2 LYS 46 -15.443 6.799 -17.464 365 HB3 LYS 46 HB3 LYS 46 -14.431 7.791 -18.499 366 HG2 LYS 46 HG2 LYS 46 -13.377 6.254 -16.142 367 HG3 LYS 46 HG3 LYS 46 -13.451 5.602 -17.777 368 HD2 LYS 46 HD2 LYS 46 -11.866 7.126 -18.575 369 HD3 LYS 46 HD3 LYS 46 -12.062 8.194 -17.178 370 HE2 LYS 46 HE2 LYS 46 -11.033 6.588 -15.733 371 HE3 LYS 46 HE3 LYS 46 -10.974 5.389 -17.025 372 HZ1 LYS 46 HZ1 LYS 46 -9.499 7.968 -16.990 373 HZ2 LYS 46 HZ2 LYS 46 -9.453 6.829 -18.244 374 HZ3 LYS 46 HZ3 LYS 46 -8.820 6.437 -16.721 375 H TYR 47 H TYR 47 -15.439 7.367 -14.454 376 HA TYR 47 HA TYR 47 -12.854 7.752 -13.117 377 HB2 TYR 47 HB2 TYR 47 -15.614 8.017 -11.902 378 HB3 TYR 47 HB3 TYR 47 -14.135 7.915 -10.958 379 HD1 TYR 47 HD2 TYR 47 -15.955 9.991 -13.431 380 HD2 TYR 47 HD1 TYR 47 -12.804 9.824 -10.581 381 HE1 TYR 47 HE2 TYR 47 -15.705 12.431 -13.576 382 HE2 TYR 47 HE1 TYR 47 -12.547 12.263 -10.715 383 HH TYR 47 HH TYR 47 -13.023 14.086 -12.203 384 H TYR 48 H TYR 48 -12.208 6.076 -11.762 385 HA TYR 48 HA TYR 48 -13.504 3.531 -12.256 386 HB2 TYR 48 HB2 TYR 48 -10.910 4.394 -11.048 387 HB3 TYR 48 HB3 TYR 48 -11.553 2.811 -10.626 388 HD1 TYR 48 HD2 TYR 48 -10.645 4.909 -13.583 389 HD2 TYR 48 HD1 TYR 48 -11.172 0.995 -12.012 390 HE1 TYR 48 HE2 TYR 48 -9.668 3.964 -15.627 391 HE2 TYR 48 HE1 TYR 48 -10.200 0.034 -14.053 392 HH TYR 48 HH TYR 48 -8.566 1.947 -16.389 393 H GLY 49 H GLY 49 -15.114 2.877 -10.992 394 HA2 GLY 49 HA2 GLY 49 -15.427 4.056 -8.329 395 HA3 GLY 49 HA3 GLY 49 -16.626 3.110 -9.203 396 H PHE 50 H PHE 50 -13.628 2.935 -7.375 397 HA PHE 50 HA PHE 50 -13.718 0.069 -7.151 398 HB2 PHE 50 HB2 PHE 50 -11.913 2.223 -6.283 399 HB3 PHE 50 HB3 PHE 50 -12.028 0.871 -5.160 400 HD1 PHE 50 HD1 PHE 50 -11.033 1.903 -8.530 401 HD2 PHE 50 HD2 PHE 50 -11.197 -1.293 -5.731 402 HE1 PHE 50 HE1 PHE 50 -9.502 0.606 -9.922 403 HE2 PHE 50 HE2 PHE 50 -9.653 -2.597 -7.118 404 HZ PHE 50 HZ PHE 50 -8.795 -1.645 -9.231 405 H SER 51 H SER 51 -14.475 -1.140 -5.480 406 HA SER 51 HA SER 51 -15.231 0.067 -2.990 407 HB2 SER 51 HB2 SER 51 -17.108 0.647 -4.590 408 HB3 SER 51 HB3 SER 51 -17.450 -1.078 -4.694 409 HG SER 51 HG SER 51 -17.241 0.000 -2.141 410 H PHE 52 H PHE 52 -15.382 -1.425 -1.381 411 HA PHE 52 HA PHE 52 -14.924 -4.217 -2.127 412 HB2 PHE 52 HB2 PHE 52 -13.336 -3.188 -0.512 413 HB3 PHE 52 HB3 PHE 52 -14.675 -2.916 0.595 414 HD1 PHE 52 HD2 PHE 52 -15.776 -4.800 1.710 415 HD2 PHE 52 HD1 PHE 52 -12.400 -5.368 -0.814 416 HE1 PHE 52 HE2 PHE 52 -15.480 -7.063 2.624 417 HE2 PHE 52 HE1 PHE 52 -12.100 -7.632 0.091 418 HZ PHE 52 HZ PHE 52 -13.643 -8.483 1.810 419 H PHE 53 H PHE 53 -16.468 -5.636 -1.986 420 HA PHE 53 HA PHE 53 -19.022 -4.861 -0.817 421 HB2 PHE 53 HB2 PHE 53 -18.169 -6.601 -3.020 422 HB3 PHE 53 HB3 PHE 53 -19.473 -7.263 -2.036 423 HD1 PHE 53 HD1 PHE 53 -21.575 -6.094 -1.815 424 HD2 PHE 53 HD2 PHE 53 -18.531 -4.696 -4.439 425 HE1 PHE 53 HE1 PHE 53 -23.220 -4.652 -2.946 426 HE2 PHE 53 HE2 PHE 53 -20.171 -3.254 -5.581 427 HZ PHE 53 HZ PHE 53 -22.517 -3.227 -4.823 428 H ARG 54 H ARG 54 -19.999 -5.888 0.777 429 HA ARG 54 HA ARG 54 -18.824 -8.319 1.918 430 HB2 ARG 54 HB2 ARG 54 -17.760 -6.657 3.221 431 HB3 ARG 54 HB3 ARG 54 -19.210 -5.670 3.298 432 HG2 ARG 54 HG2 ARG 54 -18.781 -6.681 5.433 433 HG3 ARG 54 HG3 ARG 54 -20.259 -7.348 4.742 434 HD2 ARG 54 HD2 ARG 54 -19.145 -9.370 4.127 435 HD3 ARG 54 HD3 ARG 54 -17.570 -8.691 4.543 436 HE ARG 54 HE ARG 54 -19.601 -9.657 6.388 437 HH11 ARG 54 1HH1 ARG 54 -16.616 -7.966 5.885 438 HH12 ARG 54 2HH1 ARG 54 -16.056 -8.151 7.519 439 HH21 ARG 54 1HH2 ARG 54 -18.890 -9.925 8.584 440 HH22 ARG 54 2HH2 ARG 54 -17.352 -9.279 9.051 441 H HIS 55 H HIS 55 -20.577 -9.658 1.649 442 HA HIS 55 HA HIS 55 -22.691 -10.498 1.801 443 HB2 HIS 55 HB2 HIS 55 -22.552 -8.647 4.138 444 HB3 HIS 55 HB3 HIS 55 -24.122 -9.309 3.702 445 HD1 HIS 55 HD1 HIS 55 -24.659 -11.485 4.773 446 HD2 HIS 55 HD2 HIS 55 -20.562 -10.808 4.545 447 HE1 HIS 55 HE1 HIS 55 -23.540 -13.409 5.998 448 H GLY 56 H GLY 56 -22.174 -8.292 -0.022 449 HA2 GLY 56 HA2 GLY 56 -23.526 -7.252 -1.604 450 HA3 GLY 56 HA3 GLY 56 -24.924 -7.585 -0.592 451 H ASN 57 H ASN 57 -22.819 -6.284 1.491 452 HA ASN 57 HA ASN 57 -23.899 -3.586 1.111 453 HB2 ASN 57 HB2 ASN 57 -22.286 -4.544 3.480 454 HB3 ASN 57 HB3 ASN 57 -23.329 -3.131 3.385 455 HD21 ASN 57 HD21 ASN 57 -23.103 -6.469 3.957 456 HD22 ASN 57 HD22 ASN 57 -24.764 -6.756 4.373 457 H ILE 58 H ILE 58 -22.223 -1.874 1.959 458 HA ILE 58 HA ILE 58 -19.730 -2.389 0.490 459 HB ILE 58 HB ILE 58 -21.334 0.154 0.684 460 HG12 ILE 58 HG12 ILE 58 -22.012 -1.495 -1.014 461 HG13 ILE 58 HG13 ILE 58 -21.381 -0.026 -1.754 462 HG21 ILE 58 HG21 ILE 58 -18.556 -0.212 -0.436 463 HG22 ILE 58 HG22 ILE 58 -18.991 0.723 0.994 464 HG23 ILE 58 HG23 ILE 58 -19.544 1.242 -0.598 465 HD11 ILE 58 HD11 ILE 58 -20.596 -2.017 -2.900 466 HD12 ILE 58 HD12 ILE 58 -19.891 -2.615 -1.397 467 HD13 ILE 58 HD13 ILE 58 -19.257 -1.149 -2.148 468 H VAL 59 H VAL 59 -18.022 -2.419 1.668 469 HA VAL 59 HA VAL 59 -17.991 -1.051 4.269 470 HB VAL 59 HB VAL 59 -16.174 -3.211 3.169 471 HG11 VAL 59 HG11 VAL 59 -14.871 -1.785 4.605 472 HG12 VAL 59 HG12 VAL 59 -15.234 -3.278 5.476 473 HG13 VAL 59 HG13 VAL 59 -16.132 -1.804 5.838 474 HG21 VAL 59 HG21 VAL 59 -18.268 -3.260 5.345 475 HG22 VAL 59 HG22 VAL 59 -17.170 -4.587 4.968 476 HG23 VAL 59 HG23 VAL 59 -18.362 -4.063 3.776 477 H ALA 60 H ALA 60 -16.257 -1.374 1.224 478 HA ALA 60 HA ALA 60 -14.778 1.092 1.890 479 HB1 ALA 60 1HB ALA 60 -13.280 -0.859 1.872 480 HB2 ALA 60 HB2 ALA 60 -12.900 0.275 0.576 481 HB3 ALA 60 HB3 ALA 60 -13.775 -1.213 0.217 482 H TYR 61 H TYR 61 -14.791 2.685 0.354 483 HA TYR 61 HA TYR 61 -15.546 2.019 -2.366 484 HB2 TYR 61 HB2 TYR 61 -17.685 2.575 -1.155 485 HB3 TYR 61 HB3 TYR 61 -17.036 4.187 -0.870 486 HD1 TYR 61 HD1 TYR 61 -18.056 1.813 -3.522 487 HD2 TYR 61 HD2 TYR 61 -17.135 5.859 -2.567 488 HE1 TYR 61 HE1 TYR 61 -18.889 2.514 -5.725 489 HE2 TYR 61 HE2 TYR 61 -17.969 6.568 -4.775 490 HH TYR 61 HH TYR 61 -19.688 4.393 -6.868 491 H GLY 62 H GLY 62 -14.492 3.262 -3.812 492 HA2 GLY 62 HA2 GLY 62 -13.438 5.861 -3.016 493 HA3 GLY 62 HA3 GLY 62 -12.252 4.631 -3.435 494 H LYS 63 H LYS 63 -14.401 6.982 -4.604 495 HA LYS 63 HA LYS 63 -14.235 6.026 -7.365 496 HB2 LYS 63 HB2 LYS 63 -16.364 6.965 -6.560 497 HB3 LYS 63 HB3 LYS 63 -15.559 8.484 -6.191 498 HG2 LYS 63 HG2 LYS 63 -16.243 9.125 -8.209 499 HG3 LYS 63 HG3 LYS 63 -14.924 8.128 -8.822 500 HD2 LYS 63 HD2 LYS 63 -16.896 7.519 -10.019 501 HD3 LYS 63 HD3 LYS 63 -16.536 6.205 -8.894 502 HE2 LYS 63 HE2 LYS 63 -18.208 7.028 -7.350 503 HE3 LYS 63 HE3 LYS 63 -18.522 8.414 -8.392 504 HZ1 LYS 63 HZ1 LYS 63 -20.179 6.641 -8.635 505 HZ2 LYS 63 HZ2 LYS 63 -18.973 5.577 -9.174 506 HZ3 LYS 63 HZ3 LYS 63 -19.361 6.956 -10.086 507 H SER 64 H SER 64 -12.558 6.617 -8.620 508 HA SER 64 HA SER 64 -11.476 9.297 -8.375 509 HB2 SER 64 HB2 SER 64 -9.727 6.864 -7.981 510 HB3 SER 64 HB3 SER 64 -9.139 8.512 -8.187 511 HG SER 64 HG SER 64 -11.023 8.415 -6.261 512 H ARG 65 H ARG 65 -10.200 9.965 -10.117 513 HA ARG 65 HA ARG 65 -10.842 8.851 -12.646 514 HB2 ARG 65 HB2 ARG 65 -9.164 10.507 -13.490 515 HB3 ARG 65 HB3 ARG 65 -10.404 11.202 -12.455 516 HG2 ARG 65 HG2 ARG 65 -8.749 10.981 -10.552 517 HG3 ARG 65 HG3 ARG 65 -7.533 10.632 -11.781 518 HD2 ARG 65 HD2 ARG 65 -7.905 12.777 -12.817 519 HD3 ARG 65 HD3 ARG 65 -9.239 13.114 -11.712 520 HE ARG 65 HE ARG 65 -6.450 12.787 -10.791 521 HH11 ARG 65 1HH1 ARG 65 -9.534 14.444 -10.766 522 HH12 ARG 65 2HH1 ARG 65 -9.055 15.599 -9.559 523 HH21 ARG 65 1HH2 ARG 65 -5.801 14.293 -9.207 524 HH22 ARG 65 2HH2 ARG 65 -6.917 15.519 -8.672 525 H LYS 66 H LYS 66 -8.337 8.277 -10.376 526 HA LYS 66 HA LYS 66 -6.798 6.708 -12.320 527 HB2 LYS 66 HB2 LYS 66 -6.093 7.928 -9.658 528 HB3 LYS 66 HB3 LYS 66 -5.100 6.673 -10.385 529 HG2 LYS 66 HG2 LYS 66 -5.791 9.220 -11.820 530 HG3 LYS 66 HG3 LYS 66 -4.374 9.059 -10.778 531 HD2 LYS 66 HD2 LYS 66 -3.596 7.174 -12.157 532 HD3 LYS 66 HD3 LYS 66 -4.993 7.384 -13.212 533 HE2 LYS 66 HE2 LYS 66 -2.972 9.556 -12.699 534 HE3 LYS 66 HE3 LYS 66 -2.830 8.400 -14.023 535 HZ1 LYS 66 HZ1 LYS 66 -5.052 9.161 -14.776 536 HZ2 LYS 66 HZ2 LYS 66 -3.856 10.358 -14.855 537 HZ3 LYS 66 HZ3 LYS 66 -4.996 10.386 -13.602 538 H VAL 67 H VAL 67 -6.910 4.577 -12.270 539 HA VAL 67 HA VAL 67 -8.635 3.115 -10.652 540 HB VAL 67 HB VAL 67 -7.870 2.301 -12.813 541 HG11 VAL 67 HG11 VAL 67 -5.595 3.076 -12.814 542 HG12 VAL 67 HG12 VAL 67 -5.631 1.336 -13.100 543 HG13 VAL 67 HG13 VAL 67 -5.181 1.961 -11.513 544 HG21 VAL 67 HG21 VAL 67 -7.311 0.543 -10.459 545 HG22 VAL 67 HG22 VAL 67 -7.141 -0.050 -12.110 546 HG23 VAL 67 HG23 VAL 67 -8.699 0.548 -11.547 547 H ALA 68 H ALA 68 -5.177 3.730 -10.284 548 HA ALA 68 HA ALA 68 -4.799 2.047 -8.041 549 HB1 ALA 68 1HB ALA 68 -3.180 4.442 -8.892 550 HB2 ALA 68 HB2 ALA 68 -2.960 2.794 -9.483 551 HB3 ALA 68 HB3 ALA 68 -2.666 3.168 -7.785 552 H ASN 69 H ASN 69 -5.524 5.505 -8.357 553 HA ASN 69 HA ASN 69 -5.240 6.152 -5.618 554 HB2 ASN 69 HB2 ASN 69 -5.336 7.794 -7.543 555 HB3 ASN 69 HB3 ASN 69 -7.073 7.540 -7.582 556 HD21 ASN 69 HD21 ASN 69 -8.354 8.379 -5.913 557 HD22 ASN 69 HD22 ASN 69 -7.731 9.543 -4.793 558 H ALA 70 H ALA 70 -8.049 5.322 -7.590 559 HA ALA 70 HA ALA 70 -10.037 5.469 -5.630 560 HB1 ALA 70 1HB ALA 70 -9.821 3.595 -7.990 561 HB2 ALA 70 HB2 ALA 70 -10.480 5.231 -8.033 562 HB3 ALA 70 HB3 ALA 70 -11.305 3.973 -7.110 563 H LYS 71 H LYS 71 -7.953 2.862 -6.647 564 HA LYS 71 HA LYS 71 -8.888 0.788 -5.020 565 HB2 LYS 71 HB2 LYS 71 -7.279 0.878 -7.054 566 HB3 LYS 71 HB3 LYS 71 -6.033 1.179 -5.860 567 HG2 LYS 71 HG2 LYS 71 -6.163 -0.949 -5.000 568 HG3 LYS 71 HG3 LYS 71 -7.801 -1.207 -5.620 569 HD2 LYS 71 HD2 LYS 71 -6.054 -2.438 -6.905 570 HD3 LYS 71 HD3 LYS 71 -6.990 -1.306 -7.883 571 HE2 LYS 71 HE2 LYS 71 -4.677 -1.118 -8.484 572 HE3 LYS 71 HE3 LYS 71 -5.183 0.350 -7.645 573 HZ1 LYS 71 HZ1 LYS 71 -3.807 -1.898 -6.274 574 HZ2 LYS 71 HZ2 LYS 71 -4.051 -0.321 -5.703 575 HZ3 LYS 71 HZ3 LYS 71 -2.967 -0.598 -6.973 576 H TYR 72 H TYR 72 -6.437 3.258 -4.570 577 HA TYR 72 HA TYR 72 -5.340 2.436 -2.135 578 HB2 TYR 72 HB2 TYR 72 -4.202 4.088 -3.397 579 HB3 TYR 72 HB3 TYR 72 -5.624 5.117 -3.482 580 HD1 TYR 72 HD2 TYR 72 -2.963 3.879 -1.220 581 HD2 TYR 72 HD1 TYR 72 -6.056 6.737 -1.836 582 HE1 TYR 72 HE2 TYR 72 -2.140 5.174 0.703 583 HE2 TYR 72 HE1 TYR 72 -5.245 8.041 0.083 584 HH TYR 72 HH TYR 72 -3.929 7.817 2.047 585 H ILE 73 H ILE 73 -7.988 4.696 -2.798 586 HA ILE 73 HA ILE 73 -8.617 5.363 -0.153 587 HB ILE 73 HB ILE 73 -10.469 5.204 -2.529 588 HG12 ILE 73 HG12 ILE 73 -9.072 7.651 -1.478 589 HG13 ILE 73 HG13 ILE 73 -8.307 6.598 -2.664 590 HG21 ILE 73 HG21 ILE 73 -11.707 5.356 -0.447 591 HG22 ILE 73 HG22 ILE 73 -11.797 6.886 -1.321 592 HG23 ILE 73 HG23 ILE 73 -10.715 6.726 0.063 593 HD11 ILE 73 HD11 ILE 73 -10.162 6.974 -4.189 594 HD12 ILE 73 HD12 ILE 73 -9.366 8.481 -3.734 595 HD13 ILE 73 HD13 ILE 73 -10.915 8.046 -3.007 596 H MET 74 H MET 74 -10.072 2.920 -2.283 597 HA MET 74 HA MET 74 -11.846 1.706 -0.559 598 HB2 MET 74 HB2 MET 74 -11.720 1.061 -2.878 599 HB3 MET 74 HB3 MET 74 -10.072 0.485 -2.679 600 HG2 MET 74 HG2 MET 74 -10.939 -1.241 -1.116 601 HG3 MET 74 HG3 MET 74 -12.574 -0.732 -1.543 602 HE1 MET 74 HE1 MET 74 -9.220 -1.312 -3.621 603 HE2 MET 74 HE2 MET 74 -9.542 -2.976 -4.119 604 HE3 MET 74 HE3 MET 74 -9.421 -2.574 -2.404 605 H LYS 75 H LYS 75 -8.418 0.906 -1.024 606 HA LYS 75 HA LYS 75 -8.258 -1.143 0.857 607 HB2 LYS 75 HB2 LYS 75 -6.205 0.754 -0.253 608 HB3 LYS 75 HB3 LYS 75 -5.779 -0.523 0.881 609 HG2 LYS 75 HG2 LYS 75 -6.307 -2.208 -0.621 610 HG3 LYS 75 HG3 LYS 75 -7.304 -1.142 -1.612 611 HD2 LYS 75 HD2 LYS 75 -5.360 0.002 -2.432 612 HD3 LYS 75 HD3 LYS 75 -4.314 -0.897 -1.325 613 HE2 LYS 75 HE2 LYS 75 -6.033 -2.230 -3.397 614 HE3 LYS 75 HE3 LYS 75 -4.385 -1.694 -3.739 615 HZ1 LYS 75 HZ1 LYS 75 -3.934 -3.104 -1.559 616 HZ2 LYS 75 HZ2 LYS 75 -3.954 -3.804 -3.095 617 HZ3 LYS 75 HZ3 LYS 75 -5.322 -3.929 -2.101 618 H GLN 76 H GLN 76 -7.538 2.322 1.241 619 HA GLN 76 HA GLN 76 -6.701 2.221 3.913 620 HB2 GLN 76 HB2 GLN 76 -7.972 4.438 2.309 621 HB3 GLN 76 HB3 GLN 76 -7.377 4.663 3.948 622 HG2 GLN 76 HG2 GLN 76 -5.715 3.757 1.604 623 HG3 GLN 76 HG3 GLN 76 -5.765 5.396 2.254 624 HE21 GLN 76 HE21 GLN 76 -3.536 3.501 2.019 625 HE22 GLN 76 HE22 GLN 76 -2.900 3.311 3.620 626 H ARG 77 H ARG 77 -9.903 2.205 2.541 627 HA ARG 77 HA ARG 77 -11.424 2.922 4.771 628 HB2 ARG 77 HB2 ARG 77 -11.998 1.012 2.511 629 HB3 ARG 77 HB3 ARG 77 -13.191 1.435 3.728 630 HG2 ARG 77 HG2 ARG 77 -11.810 3.505 2.050 631 HG3 ARG 77 HG3 ARG 77 -13.291 2.692 1.538 632 HD2 ARG 77 HD2 ARG 77 -12.929 4.300 4.061 633 HD3 ARG 77 HD3 ARG 77 -13.781 4.825 2.608 634 HE ARG 77 HE ARG 77 -14.957 2.446 3.398 635 HH11 ARG 77 1HH1 ARG 77 -14.502 5.640 4.722 636 HH12 ARG 77 2HH1 ARG 77 -15.970 5.613 5.649 637 HH21 ARG 77 1HH2 ARG 77 -16.894 2.390 4.584 638 HH22 ARG 77 2HH2 ARG 77 -17.353 3.759 5.556 639 H LEU 78 H LEU 78 -10.864 -0.441 3.642 640 HA LEU 78 HA LEU 78 -11.721 -1.537 6.146 641 HB2 LEU 78 HB2 LEU 78 -9.841 -3.131 4.479 642 HB3 LEU 78 HB3 LEU 78 -11.293 -3.626 5.330 643 HG LEU 78 HG LEU 78 -12.440 -2.155 3.413 644 HD11 LEU 78 HD11 LEU 78 -11.299 -2.482 1.292 645 HD12 LEU 78 HD12 LEU 78 -9.942 -3.249 2.115 646 HD13 LEU 78 HD13 LEU 78 -10.280 -1.541 2.379 647 HD21 LEU 78 HD21 LEU 78 -12.811 -4.242 2.224 648 HD22 LEU 78 HD22 LEU 78 -12.887 -4.495 3.968 649 HD23 LEU 78 HD23 LEU 78 -11.450 -4.980 3.069 650 H LEU 79 H LEU 79 -8.638 -0.536 4.864 651 HA LEU 79 HA LEU 79 -6.838 -1.789 6.529 652 HB2 LEU 79 HB2 LEU 79 -6.271 -0.347 4.598 653 HB3 LEU 79 HB3 LEU 79 -6.721 1.062 5.530 654 HG LEU 79 HG LEU 79 -4.221 0.480 5.242 655 HD11 LEU 79 HD11 LEU 79 -3.681 1.410 7.412 656 HD12 LEU 79 HD12 LEU 79 -5.305 1.044 7.996 657 HD13 LEU 79 HD13 LEU 79 -5.076 2.233 6.711 658 HD21 LEU 79 HD21 LEU 79 -4.951 -1.435 7.450 659 HD22 LEU 79 HD22 LEU 79 -3.312 -1.003 6.963 660 HD23 LEU 79 HD23 LEU 79 -4.367 -1.864 5.843 661 H LYS 80 H LYS 80 -8.580 1.255 7.146 662 HA LYS 80 HA LYS 80 -7.464 1.572 9.749 663 HB2 LYS 80 HB2 LYS 80 -9.451 2.982 8.118 664 HB3 LYS 80 HB3 LYS 80 -9.810 3.000 9.839 665 HG2 LYS 80 HG2 LYS 80 -7.258 3.929 8.542 666 HG3 LYS 80 HG3 LYS 80 -8.528 4.955 9.206 667 HD2 LYS 80 HD2 LYS 80 -6.786 3.027 10.746 668 HD3 LYS 80 HD3 LYS 80 -6.669 4.786 10.769 669 HE2 LYS 80 HE2 LYS 80 -9.018 4.828 11.658 670 HE3 LYS 80 HE3 LYS 80 -8.917 3.074 11.812 671 HZ1 LYS 80 HZ1 LYS 80 -7.374 5.137 13.273 672 HZ2 LYS 80 HZ2 LYS 80 -6.852 3.526 13.201 673 HZ3 LYS 80 HZ3 LYS 80 -8.347 3.900 13.914 674 H LEU 81 H LEU 81 -10.286 -0.060 8.479 675 HA LEU 81 HA LEU 81 -11.675 -0.327 10.910 676 HB2 LEU 81 HB2 LEU 81 -11.838 -1.434 8.200 677 HB3 LEU 81 HB3 LEU 81 -12.454 -2.497 9.454 678 HG LEU 81 HG LEU 81 -14.070 -0.910 10.134 679 HD11 LEU 81 HD11 LEU 81 -12.843 1.064 8.244 680 HD12 LEU 81 HD12 LEU 81 -12.710 1.100 10.003 681 HD13 LEU 81 HD13 LEU 81 -14.282 1.309 9.233 682 HD21 LEU 81 HD21 LEU 81 -14.733 -2.142 8.199 683 HD22 LEU 81 HD22 LEU 81 -13.917 -0.991 7.143 684 HD23 LEU 81 HD23 LEU 81 -15.338 -0.493 8.062 685 H LEU 82 H LEU 82 -9.312 -2.444 9.302 686 HA LEU 82 HA LEU 82 -9.526 -4.418 11.385 687 HB2 LEU 82 HB2 LEU 82 -7.544 -5.445 10.217 688 HB3 LEU 82 HB3 LEU 82 -9.012 -5.287 9.275 689 HG LEU 82 HG LEU 82 -7.693 -2.975 8.638 690 HD11 LEU 82 HD11 LEU 82 -5.660 -3.580 9.769 691 HD12 LEU 82 HD12 LEU 82 -5.401 -3.688 8.023 692 HD13 LEU 82 HD13 LEU 82 -5.641 -5.154 8.974 693 HD21 LEU 82 HD21 LEU 82 -8.804 -4.318 7.039 694 HD22 LEU 82 HD22 LEU 82 -7.702 -5.670 7.310 695 HD23 LEU 82 HD23 LEU 82 -7.117 -4.198 6.537 696 H GLU 83 H GLU 83 -7.693 -1.556 10.933 697 HA GLU 83 HA GLU 83 -5.670 -2.276 12.875 698 HB2 GLU 83 HB2 GLU 83 -6.317 0.281 11.421 699 HB3 GLU 83 HB3 GLU 83 -5.081 0.195 12.667 700 HG2 GLU 83 HG2 GLU 83 -5.124 -1.395 10.114 701 HG3 GLU 83 HG3 GLU 83 -4.131 0.025 10.440 702 H ASP 84 H ASP 84 -8.565 -0.290 12.731 703 HA ASP 84 HA ASP 84 -8.241 0.625 15.470 704 HB2 ASP 84 HB2 ASP 84 -9.245 1.876 13.355 705 HB3 ASP 84 HB3 ASP 84 -10.729 1.092 13.881 706 H LYS 85 H LYS 85 -9.562 -2.007 13.862 707 HA LYS 85 HA LYS 85 -10.751 -3.808 14.487 708 HB2 LYS 85 HB2 LYS 85 -10.284 -2.690 17.251 709 HB3 LYS 85 HB3 LYS 85 -10.951 -4.286 16.923 710 HG2 LYS 85 HG2 LYS 85 -8.240 -3.310 16.043 711 HG3 LYS 85 HG3 LYS 85 -8.556 -4.388 17.410 712 HD2 LYS 85 HD2 LYS 85 -9.502 -6.045 15.889 713 HD3 LYS 85 HD3 LYS 85 -9.240 -4.961 14.527 714 HE2 LYS 85 HE2 LYS 85 -7.512 -6.725 14.719 715 HE3 LYS 85 HE3 LYS 85 -6.858 -5.093 14.803 716 HZ1 LYS 85 HZ1 LYS 85 -5.931 -6.696 16.446 717 HZ2 LYS 85 HZ2 LYS 85 -7.448 -6.733 17.205 718 HZ3 LYS 85 HZ3 LYS 85 -6.570 -5.283 17.124 719 H SER 86 H SER 86 -12.139 -1.566 13.622 720 HA SER 86 HA SER 86 -14.507 -1.252 15.228 721 HB2 SER 86 HB2 SER 86 -13.948 -0.443 12.361 722 HB3 SER 86 HB3 SER 86 -15.314 0.096 13.339 723 HG SER 86 HG SER 86 -13.260 0.645 14.805 724 H ASN 87 H ASN 87 -16.448 -2.308 14.973 725 HA ASN 87 HA ASN 87 -16.232 -4.907 13.790 726 HB2 ASN 87 HB2 ASN 87 -18.421 -5.339 14.713 727 HB3 ASN 87 HB3 ASN 87 -17.428 -4.524 15.910 728 HD21 ASN 87 HD21 ASN 87 -20.216 -4.338 13.885 729 HD22 ASN 87 HD22 ASN 87 -20.858 -2.875 14.554 730 H LEU 88 H LEU 88 -16.746 -2.137 12.267 731 HA LEU 88 HA LEU 88 -19.074 -2.638 10.760 732 HB2 LEU 88 HB2 LEU 88 -16.687 -0.897 10.179 733 HB3 LEU 88 HB3 LEU 88 -18.099 -0.969 9.141 734 HG LEU 88 HG LEU 88 -18.510 0.917 10.436 735 HD11 LEU 88 HD11 LEU 88 -19.814 -1.318 11.986 736 HD12 LEU 88 HD12 LEU 88 -20.413 -0.633 10.472 737 HD13 LEU 88 HD13 LEU 88 -20.343 0.365 11.925 738 HD21 LEU 88 HD21 LEU 88 -17.539 -0.599 12.857 739 HD22 LEU 88 HD22 LEU 88 -18.143 1.058 12.851 740 HD23 LEU 88 HD23 LEU 88 -16.654 0.658 11.994 741 H LEU 89 H LEU 89 -15.625 -3.309 10.056 742 HA LEU 89 HA LEU 89 -16.567 -5.022 7.858 743 HB2 LEU 89 HB2 LEU 89 -14.768 -3.618 7.195 744 HB3 LEU 89 HB3 LEU 89 -13.812 -4.042 8.597 745 HG LEU 89 HG LEU 89 -13.925 -6.435 7.618 746 HD11 LEU 89 HD11 LEU 89 -15.563 -5.882 5.887 747 HD12 LEU 89 HD12 LEU 89 -14.076 -6.577 5.241 748 HD13 LEU 89 HD13 LEU 89 -14.362 -4.843 5.122 749 HD21 LEU 89 HD21 LEU 89 -11.880 -5.980 6.359 750 HD22 LEU 89 HD22 LEU 89 -11.912 -5.143 7.912 751 HD23 LEU 89 HD23 LEU 89 -12.244 -4.257 6.424 752 H LEU 90 H LEU 90 -15.708 -5.210 11.081 753 HA LEU 90 HA LEU 90 -14.669 -7.946 10.828 754 HB2 LEU 90 HB2 LEU 90 -14.380 -6.055 13.148 755 HB3 LEU 90 HB3 LEU 90 -13.509 -7.557 12.882 756 HG LEU 90 HG LEU 90 -13.291 -5.246 10.970 757 HD11 LEU 90 HD11 LEU 90 -11.666 -5.780 13.447 758 HD12 LEU 90 HD12 LEU 90 -12.638 -4.350 13.079 759 HD13 LEU 90 HD13 LEU 90 -11.179 -4.692 12.149 760 HD21 LEU 90 HD21 LEU 90 -11.161 -6.323 10.415 761 HD22 LEU 90 HD22 LEU 90 -12.533 -7.400 10.146 762 HD23 LEU 90 HD23 LEU 90 -11.512 -7.606 11.571 763 H TYR 91 H TYR 91 -17.588 -7.140 11.037 764 HA TYR 91 HA TYR 91 -18.394 -8.057 13.639 765 HB2 TYR 91 HB2 TYR 91 -20.654 -7.802 12.864 766 HB3 TYR 91 HB3 TYR 91 -19.722 -6.418 12.313 767 HD1 TYR 91 HD2 TYR 91 -21.235 -9.630 11.223 768 HD2 TYR 91 HD1 TYR 91 -19.551 -5.912 10.000 769 HE1 TYR 91 HE2 TYR 91 -22.008 -10.040 8.931 770 HE2 TYR 91 HE1 TYR 91 -20.321 -6.319 7.701 771 HH TYR 91 HH TYR 91 -22.594 -8.666 6.907 772 H SER 92 H SER 92 -19.747 -9.923 14.018 773 HA SER 92 HA SER 92 -18.911 -12.236 12.472 774 HB2 SER 92 HB2 SER 92 -20.104 -13.521 14.262 775 HB3 SER 92 HB3 SER 92 -18.827 -12.473 14.874 776 HG SER 92 HG SER 92 -20.407 -10.978 15.495 777 H CYS 93 H CYS 93 -20.347 -13.683 11.504 778 HA CYS 93 HA CYS 93 -23.063 -12.734 10.936 779 HB2 CYS 93 HB2 CYS 93 -22.731 -12.904 8.559 780 HB3 CYS 93 HB3 CYS 93 -21.470 -11.848 9.203 781 H ASN 94 H ASN 94 -23.904 -14.508 9.128 782 HA ASN 94 HA ASN 94 -23.332 -17.129 10.353 783 HB2 ASN 94 HB2 ASN 94 -25.638 -16.308 10.695 784 HB3 ASN 94 HB3 ASN 94 -25.849 -16.194 8.952 785 HD21 ASN 94 HD21 ASN 94 -24.173 -18.786 10.640 786 HD22 ASN 94 HD22 ASN 94 -25.301 -20.034 10.216 787 H CYS 95 H CYS 95 -21.454 -16.839 8.601 788 HA CYS 95 HA CYS 95 -22.378 -17.876 6.033 789 HB2 CYS 95 HB2 CYS 95 -19.704 -16.975 7.043 790 HB3 CYS 95 HB3 CYS 95 -19.785 -18.029 5.639 791 H LYS 96 H LYS 96 -21.702 -19.128 9.023 792 HA LYS 96 HA LYS 96 -21.572 -21.818 8.032 793 HB2 LYS 96 HB2 LYS 96 -19.487 -22.348 9.404 794 HB3 LYS 96 HB3 LYS 96 -19.238 -21.497 7.892 795 HG2 LYS 96 HG2 LYS 96 -19.038 -19.385 9.123 796 HG3 LYS 96 HG3 LYS 96 -19.234 -20.271 10.637 797 HD2 LYS 96 HD2 LYS 96 -17.076 -20.939 8.652 798 HD3 LYS 96 HD3 LYS 96 -16.850 -19.726 9.911 799 HE2 LYS 96 HE2 LYS 96 -17.325 -21.402 11.620 800 HE3 LYS 96 HE3 LYS 96 -17.580 -22.617 10.367 801 HZ1 LYS 96 HZ1 LYS 96 -15.303 -22.481 9.736 802 HZ2 LYS 96 HZ2 LYS 96 -15.350 -22.678 11.421 803 HZ3 LYS 96 HZ3 LYS 96 -15.026 -21.153 10.754 804 H PHE 97 H PHE 97 -21.225 -19.712 10.840 805 HA PHE 97 HA PHE 97 -23.303 -21.255 12.197 806 HB2 PHE 97 HB2 PHE 97 -22.064 -21.208 14.327 807 HB3 PHE 97 HB3 PHE 97 -21.165 -22.108 13.108 808 HD1 PHE 97 HD1 PHE 97 -21.388 -18.807 14.788 809 HD2 PHE 97 HD2 PHE 97 -18.986 -21.507 12.548 810 HE1 PHE 97 HE1 PHE 97 -19.444 -17.366 15.161 811 HE2 PHE 97 HE2 PHE 97 -17.026 -20.075 12.912 812 HZ PHE 97 HZ PHE 97 -17.246 -18.002 14.224 813 H SER 98 H SER 98 -23.790 -19.901 14.369 814 HA SER 98 HA SER 98 -23.055 -17.178 14.457 815 HB2 SER 98 HB2 SER 98 -25.330 -16.216 13.974 816 HB3 SER 98 HB3 SER 98 -24.465 -16.830 12.566 817 HG SER 98 HG SER 98 -25.728 -18.877 13.176 818 H LYS 99 H LYS 99 -23.681 -16.191 16.300 819 HA LYS 99 HA LYS 99 -24.382 -15.946 18.415 820 HB2 LYS 99 HB2 LYS 99 -26.677 -17.627 17.416 821 HB3 LYS 99 HB3 LYS 99 -26.636 -16.875 19.006 822 HG2 LYS 99 HG2 LYS 99 -26.643 -15.503 16.335 823 HG3 LYS 99 HG3 LYS 99 -27.898 -15.463 17.579 824 HD2 LYS 99 HD2 LYS 99 -26.142 -14.439 19.104 825 HD3 LYS 99 HD3 LYS 99 -25.155 -14.233 17.651 826 HE2 LYS 99 HE2 LYS 99 -26.836 -12.830 16.656 827 HE3 LYS 99 HE3 LYS 99 -27.946 -13.149 17.988 828 HZ1 LYS 99 HZ1 LYS 99 -26.382 -12.042 19.487 829 HZ2 LYS 99 HZ2 LYS 99 -26.905 -11.005 18.253 830 HZ3 LYS 99 HZ3 LYS 99 -25.361 -11.694 18.176 831 H LYS 100 H LYS 100 -22.463 -17.177 18.943 832 HA LYS 100 HA LYS 100 -23.085 -19.731 20.251 833 HB2 LYS 100 HB2 LYS 100 -21.010 -19.616 18.904 834 HB3 LYS 100 HB3 LYS 100 -20.444 -18.282 19.900 835 HG2 LYS 100 HG2 LYS 100 -20.599 -19.863 21.869 836 HG3 LYS 100 HG3 LYS 100 -20.814 -21.157 20.687 837 HD2 LYS 100 HD2 LYS 100 -18.478 -20.987 21.320 838 HD3 LYS 100 HD3 LYS 100 -18.680 -20.514 19.632 839 HE2 LYS 100 HE2 LYS 100 -18.665 -18.156 20.305 840 HE3 LYS 100 HE3 LYS 100 -18.434 -18.643 21.983 841 HZ1 LYS 100 HZ1 LYS 100 -16.365 -17.980 20.854 842 HZ2 LYS 100 HZ2 LYS 100 -16.548 -19.279 19.776 843 HZ3 LYS 100 HZ3 LYS 100 -16.314 -19.574 21.432 844 H LYS 101 H LYS 101 -21.585 -16.601 20.861 845 HA LYS 101 HA LYS 101 -22.932 -16.459 23.435 846 HB2 LYS 101 HB2 LYS 101 -20.213 -16.970 23.244 847 HB3 LYS 101 HB3 LYS 101 -20.285 -15.226 23.469 848 HG2 LYS 101 HG2 LYS 101 -20.085 -16.389 25.598 849 HG3 LYS 101 HG3 LYS 101 -21.626 -15.530 25.479 850 HD2 LYS 101 HD2 LYS 101 -22.692 -17.645 24.765 851 HD3 LYS 101 HD3 LYS 101 -21.160 -18.475 25.037 852 HE2 LYS 101 HE2 LYS 101 -21.227 -17.758 27.401 853 HE3 LYS 101 HE3 LYS 101 -22.799 -17.016 27.109 854 HZ1 LYS 101 HZ1 LYS 101 -22.987 -19.218 28.112 855 HZ2 LYS 101 HZ2 LYS 101 -22.188 -19.905 26.783 856 HZ3 LYS 101 HZ3 LYS 101 -23.703 -19.176 26.578 Start of MODEL 14 1 H MET 1 H MET 1 5.673 1.329 -5.699 2 HA MET 1 HA MET 1 4.133 0.821 -3.908 3 HB2 MET 1 HB2 MET 1 3.316 2.882 -5.950 4 HB3 MET 1 HB3 MET 1 2.474 2.716 -4.416 5 HG2 MET 1 HG2 MET 1 4.101 4.475 -4.264 6 HG3 MET 1 HG3 MET 1 4.582 3.132 -3.230 7 HE1 MET 1 HE1 MET 1 7.020 4.070 -3.005 8 HE2 MET 1 HE2 MET 1 6.571 5.460 -3.995 9 HE3 MET 1 HE3 MET 1 8.027 4.538 -4.375 10 H LYS 2 H LYS 2 3.018 -1.013 -3.696 11 HA LYS 2 HA LYS 2 0.389 -1.121 -4.994 12 HB2 LYS 2 HB2 LYS 2 2.319 -3.440 -4.758 13 HB3 LYS 2 HB3 LYS 2 0.626 -3.605 -5.199 14 HG2 LYS 2 HG2 LYS 2 2.681 -2.045 -6.760 15 HG3 LYS 2 HG3 LYS 2 2.132 -3.679 -7.141 16 HD2 LYS 2 HD2 LYS 2 -0.141 -2.849 -7.467 17 HD3 LYS 2 HD3 LYS 2 0.382 -1.220 -7.035 18 HE2 LYS 2 HE2 LYS 2 0.227 -1.413 -9.439 19 HE3 LYS 2 HE3 LYS 2 1.913 -1.226 -8.967 20 HZ1 LYS 2 HZ1 LYS 2 1.584 -2.930 -10.682 21 HZ2 LYS 2 HZ2 LYS 2 0.615 -3.820 -9.613 22 HZ3 LYS 2 HZ3 LYS 2 2.258 -3.574 -9.265 23 H GLY 3 H GLY 3 -1.028 -0.995 -3.368 24 HA2 GLY 3 HA2 GLY 3 -0.285 -1.863 -0.697 25 HA3 GLY 3 HA3 GLY 3 -1.759 -1.019 -1.148 26 H ASP 4 H ASP 4 -0.824 -3.730 0.214 27 HA ASP 4 HA ASP 4 -2.460 -5.603 -1.333 28 HB2 ASP 4 HB2 ASP 4 -0.678 -6.032 1.065 29 HB3 ASP 4 HB3 ASP 4 -1.570 -7.298 0.237 30 H ILE 5 H ILE 5 -3.978 -3.650 -0.094 31 HA ILE 5 HA ILE 5 -4.837 -4.299 2.497 32 HB ILE 5 HB ILE 5 -5.348 -2.270 0.765 33 HG12 ILE 5 HG12 ILE 5 -5.440 -2.047 3.163 34 HG13 ILE 5 HG13 ILE 5 -6.938 -1.427 2.485 35 HG21 ILE 5 HG21 ILE 5 -7.720 -2.206 0.269 36 HG22 ILE 5 HG22 ILE 5 -7.916 -3.824 0.947 37 HG23 ILE 5 HG23 ILE 5 -6.936 -3.586 -0.504 38 HD11 ILE 5 HD11 ILE 5 -7.309 -2.710 4.519 39 HD12 ILE 5 HD12 ILE 5 -6.584 -4.127 3.758 40 HD13 ILE 5 HD13 ILE 5 -8.089 -3.459 3.125 41 H GLU 6 H GLU 6 -5.741 -5.555 -0.661 42 HA GLU 6 HA GLU 6 -8.135 -6.839 0.117 43 HB2 GLU 6 HB2 GLU 6 -6.230 -7.546 -2.124 44 HB3 GLU 6 HB3 GLU 6 -7.839 -8.221 -1.924 45 HG2 GLU 6 HG2 GLU 6 -8.021 -6.545 -3.561 46 HG3 GLU 6 HG3 GLU 6 -8.728 -5.874 -2.090 47 H HIS 7 H HIS 7 -4.771 -7.766 0.216 48 HA HIS 7 HA HIS 7 -5.115 -10.478 0.896 49 HB2 HIS 7 HB2 HIS 7 -2.954 -9.242 0.230 50 HB3 HIS 7 HB3 HIS 7 -2.875 -8.726 1.909 51 HD1 HIS 7 HD1 HIS 7 -0.605 -10.463 0.788 52 HD2 HIS 7 HD2 HIS 7 -3.980 -11.982 2.690 53 HE1 HIS 7 HE1 HIS 7 0.023 -12.764 1.634 54 H LYS 8 H LYS 8 -4.877 -7.524 2.812 55 HA LYS 8 HA LYS 8 -4.775 -8.715 5.360 56 HB2 LYS 8 HB2 LYS 8 -6.091 -6.057 4.900 57 HB3 LYS 8 HB3 LYS 8 -5.095 -6.570 6.249 58 HG2 LYS 8 HG2 LYS 8 -4.135 -5.963 3.464 59 HG3 LYS 8 HG3 LYS 8 -3.954 -4.931 4.881 60 HD2 LYS 8 HD2 LYS 8 -2.619 -6.704 5.958 61 HD3 LYS 8 HD3 LYS 8 -2.752 -7.660 4.478 62 HE2 LYS 8 HE2 LYS 8 -1.614 -5.928 3.223 63 HE3 LYS 8 HE3 LYS 8 -1.534 -4.909 4.659 64 HZ1 LYS 8 HZ1 LYS 8 0.561 -5.993 4.320 65 HZ2 LYS 8 HZ2 LYS 8 -0.175 -7.520 4.265 66 HZ3 LYS 8 HZ3 LYS 8 -0.162 -6.635 5.717 67 H VAL 9 H VAL 9 -7.528 -7.325 3.578 68 HA VAL 9 HA VAL 9 -9.399 -7.756 5.622 69 HB VAL 9 HB VAL 9 -9.909 -6.168 3.934 70 HG11 VAL 9 HG11 VAL 9 -10.398 -6.798 1.606 71 HG12 VAL 9 HG12 VAL 9 -9.848 -8.437 1.959 72 HG13 VAL 9 HG13 VAL 9 -8.718 -7.085 2.058 73 HG21 VAL 9 HG21 VAL 9 -11.820 -8.460 3.536 74 HG22 VAL 9 HG22 VAL 9 -12.171 -6.740 3.378 75 HG23 VAL 9 HG23 VAL 9 -11.801 -7.423 4.962 76 H TYR 10 H TYR 10 -8.503 -9.821 2.864 77 HA TYR 10 HA TYR 10 -10.526 -11.755 3.436 78 HB2 TYR 10 HB2 TYR 10 -7.939 -12.146 1.900 79 HB3 TYR 10 HB3 TYR 10 -9.328 -13.221 1.877 80 HD1 TYR 10 HD2 TYR 10 -11.109 -10.447 1.885 81 HD2 TYR 10 HD1 TYR 10 -8.175 -12.247 -0.610 82 HE1 TYR 10 HE2 TYR 10 -12.007 -9.220 -0.046 83 HE2 TYR 10 HE1 TYR 10 -9.066 -11.025 -2.550 84 HH TYR 10 HH TYR 10 -11.321 -9.991 -3.199 85 H GLN 11 H GLN 11 -7.345 -11.111 4.620 86 HA GLN 11 HA GLN 11 -6.558 -13.620 5.550 87 HB2 GLN 11 HB2 GLN 11 -5.878 -10.829 6.346 88 HB3 GLN 11 HB3 GLN 11 -5.353 -12.152 7.377 89 HG2 GLN 11 HG2 GLN 11 -4.688 -11.810 4.462 90 HG3 GLN 11 HG3 GLN 11 -3.617 -11.476 5.822 91 HE21 GLN 11 HE21 GLN 11 -5.081 -13.925 3.856 92 HE22 GLN 11 HE22 GLN 11 -4.154 -15.261 4.468 93 H LEU 12 H LEU 12 -8.243 -11.051 7.284 94 HA LEU 12 HA LEU 12 -8.602 -12.780 9.579 95 HB2 LEU 12 HB2 LEU 12 -9.950 -10.538 10.250 96 HB3 LEU 12 HB3 LEU 12 -8.246 -10.797 10.534 97 HG LEU 12 HG LEU 12 -7.887 -9.655 8.250 98 HD11 LEU 12 HD11 LEU 12 -9.616 -8.061 7.620 99 HD12 LEU 12 HD12 LEU 12 -10.671 -8.699 8.880 100 HD13 LEU 12 HD13 LEU 12 -10.210 -9.719 7.517 101 HD21 LEU 12 HD21 LEU 12 -7.942 -7.440 9.298 102 HD22 LEU 12 HD22 LEU 12 -7.253 -8.660 10.370 103 HD23 LEU 12 HD23 LEU 12 -8.905 -8.098 10.621 104 H LEU 13 H LEU 13 -10.629 -11.212 7.133 105 HA LEU 13 HA LEU 13 -13.105 -11.820 8.095 106 HB2 LEU 13 HB2 LEU 13 -11.927 -11.199 5.531 107 HB3 LEU 13 HB3 LEU 13 -13.332 -12.243 5.379 108 HG LEU 13 HG LEU 13 -14.670 -10.684 6.587 109 HD11 LEU 13 HD11 LEU 13 -13.829 -8.533 7.308 110 HD12 LEU 13 HD12 LEU 13 -12.203 -9.035 6.838 111 HD13 LEU 13 HD13 LEU 13 -13.049 -9.880 8.136 112 HD21 LEU 13 HD21 LEU 13 -14.581 -8.746 5.051 113 HD22 LEU 13 HD22 LEU 13 -14.588 -10.315 4.246 114 HD23 LEU 13 HD23 LEU 13 -13.085 -9.413 4.401 115 H LYS 14 H LYS 14 -11.055 -13.931 6.117 116 HA LYS 14 HA LYS 14 -12.948 -16.026 5.974 117 HB2 LYS 14 HB2 LYS 14 -11.205 -17.362 5.066 118 HB3 LYS 14 HB3 LYS 14 -10.904 -15.720 4.503 119 HG2 LYS 14 HG2 LYS 14 -9.094 -15.432 5.918 120 HG3 LYS 14 HG3 LYS 14 -9.580 -16.764 6.961 121 HD2 LYS 14 HD2 LYS 14 -9.071 -18.344 5.137 122 HD3 LYS 14 HD3 LYS 14 -8.522 -16.988 4.148 123 HE2 LYS 14 HE2 LYS 14 -7.348 -17.851 6.788 124 HE3 LYS 14 HE3 LYS 14 -6.644 -18.133 5.197 125 HZ1 LYS 14 HZ1 LYS 14 -6.441 -15.759 4.885 126 HZ2 LYS 14 HZ2 LYS 14 -5.641 -16.230 6.306 127 HZ3 LYS 14 HZ3 LYS 14 -7.149 -15.468 6.398 128 H ASP 15 H ASP 15 -10.616 -15.058 8.365 129 HA ASP 15 HA ASP 15 -10.602 -17.501 9.872 130 HB2 ASP 15 HB2 ASP 15 -8.736 -15.978 10.069 131 HB3 ASP 15 HB3 ASP 15 -9.793 -14.673 10.576 132 H GLN 16 H GLN 16 -12.247 -14.416 10.090 133 HA GLN 16 HA GLN 16 -13.708 -14.875 12.459 134 HB2 GLN 16 HB2 GLN 16 -14.796 -13.225 10.195 135 HB3 GLN 16 HB3 GLN 16 -14.962 -12.966 11.925 136 HG2 GLN 16 HG2 GLN 16 -12.439 -12.581 11.883 137 HG3 GLN 16 HG3 GLN 16 -12.628 -12.447 10.147 138 HE21 GLN 16 HE21 GLN 16 -12.085 -10.349 10.045 139 HE22 GLN 16 HE22 GLN 16 -13.073 -9.067 10.643 140 H GLY 17 H GLY 17 -13.914 -16.376 9.504 141 HA2 GLY 17 HA2 GLY 17 -15.324 -18.179 9.025 142 HA3 GLY 17 HA3 GLY 17 -16.458 -17.582 10.230 143 H CYS 18 H CYS 18 -15.057 -15.499 7.770 144 HA CYS 18 HA CYS 18 -17.671 -15.584 6.399 145 HB2 CYS 18 HB2 CYS 18 -16.688 -13.401 7.501 146 HB3 CYS 18 HB3 CYS 18 -15.746 -13.333 6.011 147 H GLU 19 H GLU 19 -17.749 -16.104 4.272 148 HA GLU 19 HA GLU 19 -15.197 -15.978 2.770 149 HB2 GLU 19 HB2 GLU 19 -15.944 -17.761 1.355 150 HB3 GLU 19 HB3 GLU 19 -16.158 -18.287 3.017 151 HG2 GLU 19 HG2 GLU 19 -18.362 -17.177 1.295 152 HG3 GLU 19 HG3 GLU 19 -18.023 -18.892 1.495 153 H ASP 20 H ASP 20 -18.117 -14.545 3.232 154 HA ASP 20 HA ASP 20 -18.708 -13.940 0.465 155 HB2 ASP 20 HB2 ASP 20 -20.577 -14.609 1.872 156 HB3 ASP 20 HB3 ASP 20 -20.210 -13.315 3.010 157 H PHE 21 H PHE 21 -17.000 -12.610 0.006 158 HA PHE 21 HA PHE 21 -17.524 -9.839 0.388 159 HB2 PHE 21 HB2 PHE 21 -15.144 -9.406 1.326 160 HB3 PHE 21 HB3 PHE 21 -16.429 -9.863 2.434 161 HD1 PHE 21 HD1 PHE 21 -13.470 -11.176 0.608 162 HD2 PHE 21 HD2 PHE 21 -16.254 -11.758 3.767 163 HE1 PHE 21 HE1 PHE 21 -12.082 -13.001 1.498 164 HE2 PHE 21 HE2 PHE 21 -14.883 -13.569 4.656 165 HZ PHE 21 HZ PHE 21 -12.780 -14.206 3.534 166 H GLY 22 H GLY 22 -15.903 -8.461 -0.745 167 HA2 GLY 22 HA2 GLY 22 -13.822 -9.360 -2.323 168 HA3 GLY 22 HA3 GLY 22 -15.273 -9.587 -3.290 169 H THR 23 H THR 23 -13.698 -7.975 -4.504 170 HA THR 23 HA THR 23 -14.444 -5.230 -3.719 171 HB THR 23 HB THR 23 -12.519 -4.569 -5.254 172 HG1 THR 23 HG1 THR 23 -12.474 -6.935 -6.008 173 HG21 THR 23 HG21 THR 23 -12.383 -4.445 -2.815 174 HG22 THR 23 HG22 THR 23 -10.836 -4.920 -3.519 175 HG23 THR 23 HG23 THR 23 -11.868 -6.131 -2.757 176 H LYS 24 H LYS 24 -15.597 -4.004 -5.119 177 HA LYS 24 HA LYS 24 -16.246 -5.233 -7.712 178 HB2 LYS 24 HB2 LYS 24 -18.269 -4.015 -7.753 179 HB3 LYS 24 HB3 LYS 24 -18.125 -4.610 -6.106 180 HG2 LYS 24 HG2 LYS 24 -18.293 -2.552 -5.316 181 HG3 LYS 24 HG3 LYS 24 -16.906 -2.033 -6.277 182 HD2 LYS 24 HD2 LYS 24 -18.410 -1.701 -8.211 183 HD3 LYS 24 HD3 LYS 24 -19.782 -2.143 -7.193 184 HE2 LYS 24 HE2 LYS 24 -19.277 -0.250 -5.714 185 HE3 LYS 24 HE3 LYS 24 -17.929 0.198 -6.758 186 HZ1 LYS 24 HZ1 LYS 24 -19.778 1.561 -7.333 187 HZ2 LYS 24 HZ2 LYS 24 -20.816 0.222 -7.442 188 HZ3 LYS 24 HZ3 LYS 24 -19.585 0.434 -8.582 189 H CYS 25 H CYS 25 -16.158 -4.017 -9.609 190 HA CYS 25 HA CYS 25 -14.908 -1.387 -9.482 191 HB2 CYS 25 HB2 CYS 25 -13.232 -2.106 -11.230 192 HB3 CYS 25 HB3 CYS 25 -12.965 -2.770 -9.621 193 HG CYS 25 HG CYS 25 -14.740 -4.615 -11.843 194 H VAL 26 H VAL 26 -16.663 -0.427 -10.364 195 HA VAL 26 HA VAL 26 -17.162 -1.032 -13.183 196 HB VAL 26 HB VAL 26 -18.986 -2.109 -11.938 197 HG11 VAL 26 HG11 VAL 26 -18.993 -0.743 -9.932 198 HG12 VAL 26 HG12 VAL 26 -20.598 -0.771 -10.662 199 HG13 VAL 26 HG13 VAL 26 -19.565 0.645 -10.856 200 HG21 VAL 26 HG21 VAL 26 -20.876 -1.018 -13.069 201 HG22 VAL 26 HG22 VAL 26 -19.478 -1.210 -14.127 202 HG23 VAL 26 HG23 VAL 26 -19.842 0.366 -13.426 203 H ILE 27 H ILE 27 -17.599 0.784 -14.427 204 HA ILE 27 HA ILE 27 -16.734 3.271 -13.312 205 HB ILE 27 HB ILE 27 -17.830 2.589 -16.040 206 HG12 ILE 27 HG12 ILE 27 -15.047 3.286 -15.069 207 HG13 ILE 27 HG13 ILE 27 -15.607 1.678 -15.520 208 HG21 ILE 27 HG21 ILE 27 -17.148 4.836 -16.731 209 HG22 ILE 27 HG22 ILE 27 -16.709 5.217 -15.065 210 HG23 ILE 27 HG23 ILE 27 -18.393 4.899 -15.481 211 HD11 ILE 27 HD11 ILE 27 -15.939 2.437 -17.811 212 HD12 ILE 27 HD12 ILE 27 -14.275 2.681 -17.279 213 HD13 ILE 27 HD13 ILE 27 -15.387 4.049 -17.357 214 H GLU 28 H GLU 28 -17.880 4.794 -12.443 215 HA GLU 28 HA GLU 28 -20.783 4.834 -12.900 216 HB2 GLU 28 HB2 GLU 28 -19.267 5.631 -10.406 217 HB3 GLU 28 HB3 GLU 28 -21.015 5.737 -10.621 218 HG2 GLU 28 HG2 GLU 28 -21.059 3.282 -10.992 219 HG3 GLU 28 HG3 GLU 28 -19.345 3.230 -10.600 220 H GLU 29 H GLU 29 -20.868 6.270 -14.489 221 HA GLU 29 HA GLU 29 -18.988 8.456 -14.600 222 HB2 GLU 29 HB2 GLU 29 -19.968 8.913 -16.809 223 HB3 GLU 29 HB3 GLU 29 -19.468 7.238 -16.646 224 HG2 GLU 29 HG2 GLU 29 -22.309 8.127 -16.244 225 HG3 GLU 29 HG3 GLU 29 -21.664 7.680 -17.820 226 H VAL 30 H VAL 30 -19.411 10.591 -14.488 227 HA VAL 30 HA VAL 30 -21.948 11.336 -13.240 228 HB VAL 30 HB VAL 30 -19.396 12.927 -13.571 229 HG11 VAL 30 HG11 VAL 30 -21.849 13.504 -11.913 230 HG12 VAL 30 HG12 VAL 30 -21.367 14.358 -13.379 231 HG13 VAL 30 HG13 VAL 30 -20.365 14.456 -11.931 232 HG21 VAL 30 HG21 VAL 30 -19.086 10.996 -12.106 233 HG22 VAL 30 HG22 VAL 30 -20.490 11.484 -11.156 234 HG23 VAL 30 HG23 VAL 30 -19.048 12.499 -11.182 235 H LYS 31 H LYS 31 -23.474 12.349 -14.383 236 HA LYS 31 HA LYS 31 -23.064 12.655 -17.208 237 HB2 LYS 31 HB2 LYS 31 -25.489 13.202 -15.495 238 HB3 LYS 31 HB3 LYS 31 -25.472 13.228 -17.254 239 HG2 LYS 31 HG2 LYS 31 -24.776 10.820 -15.588 240 HG3 LYS 31 HG3 LYS 31 -26.370 11.134 -16.277 241 HD2 LYS 31 HD2 LYS 31 -25.495 11.022 -18.506 242 HD3 LYS 31 HD3 LYS 31 -23.839 10.935 -17.901 243 HE2 LYS 31 HE2 LYS 31 -24.221 8.773 -16.962 244 HE3 LYS 31 HE3 LYS 31 -25.948 8.872 -17.294 245 HZ1 LYS 31 HZ1 LYS 31 -25.572 8.669 -19.591 246 HZ2 LYS 31 HZ2 LYS 31 -24.599 7.487 -18.870 247 HZ3 LYS 31 HZ3 LYS 31 -23.904 8.931 -19.442 248 H SER 32 H SER 32 -21.357 14.382 -16.446 249 HA SER 32 HA SER 32 -22.449 17.044 -16.231 250 HB2 SER 32 HB2 SER 32 -20.263 16.485 -15.211 251 HB3 SER 32 HB3 SER 32 -19.616 16.124 -16.810 252 HG SER 32 HG SER 32 -20.658 18.643 -16.011 253 H SER 33 H SER 33 -20.874 15.055 -18.691 254 HA SER 33 HA SER 33 -21.740 16.945 -20.756 255 HB2 SER 33 HB2 SER 33 -19.823 14.609 -21.025 256 HB3 SER 33 HB3 SER 33 -20.135 15.861 -22.229 257 HG SER 33 HG SER 33 -18.188 16.162 -20.959 258 H HIS 34 H HIS 34 -23.930 16.313 -20.750 259 HA HIS 34 HA HIS 34 -24.503 13.521 -21.433 260 HB2 HIS 34 HB2 HIS 34 -25.800 14.662 -19.599 261 HB3 HIS 34 HB3 HIS 34 -26.475 15.732 -20.823 262 HD1 HIS 34 HD1 HIS 34 -28.437 14.829 -22.198 263 HD2 HIS 34 HD2 HIS 34 -26.618 11.954 -19.812 264 HE1 HIS 34 HE1 HIS 34 -29.920 12.785 -22.298 265 H LYS 35 H LYS 35 -24.926 16.826 -22.601 266 HA LYS 35 HA LYS 35 -25.881 15.822 -25.166 267 HB2 LYS 35 HB2 LYS 35 -25.375 18.658 -24.249 268 HB3 LYS 35 HB3 LYS 35 -26.007 18.206 -25.824 269 HG2 LYS 35 HG2 LYS 35 -27.944 18.713 -24.749 270 HG3 LYS 35 HG3 LYS 35 -27.839 16.992 -24.381 271 HD2 LYS 35 HD2 LYS 35 -28.423 18.218 -22.381 272 HD3 LYS 35 HD3 LYS 35 -26.797 17.554 -22.210 273 HE2 LYS 35 HE2 LYS 35 -26.879 19.845 -21.388 274 HE3 LYS 35 HE3 LYS 35 -25.845 19.728 -22.811 275 HZ1 LYS 35 HZ1 LYS 35 -27.224 21.662 -22.984 276 HZ2 LYS 35 HZ2 LYS 35 -28.631 20.753 -22.725 277 HZ3 LYS 35 HZ3 LYS 35 -27.738 20.540 -24.150 278 H THR 36 H THR 36 -24.528 15.292 -26.704 279 HA THR 36 HA THR 36 -21.848 16.464 -26.720 280 HB THR 36 HB THR 36 -21.698 14.352 -25.508 281 HG1 THR 36 HG1 THR 36 -19.913 13.807 -26.518 282 HG21 THR 36 HG21 THR 36 -22.263 12.228 -26.559 283 HG22 THR 36 HG22 THR 36 -22.843 13.080 -27.990 284 HG23 THR 36 HG23 THR 36 -23.683 13.274 -26.450 285 H LEU 37 H LEU 37 -20.693 15.567 -28.849 286 HA LEU 37 HA LEU 37 -22.548 16.415 -30.942 287 HB2 LEU 37 HB2 LEU 37 -19.551 16.442 -30.742 288 HB3 LEU 37 HB3 LEU 37 -20.377 16.728 -32.258 289 HG LEU 37 HG LEU 37 -19.826 18.852 -31.375 290 HD11 LEU 37 HD11 LEU 37 -22.008 19.897 -31.001 291 HD12 LEU 37 HD12 LEU 37 -22.727 18.302 -30.777 292 HD13 LEU 37 HD13 LEU 37 -22.043 18.750 -32.340 293 HD21 LEU 37 HD21 LEU 37 -19.377 18.211 -29.071 294 HD22 LEU 37 HD22 LEU 37 -21.104 18.000 -28.781 295 HD23 LEU 37 HD23 LEU 37 -20.459 19.603 -29.136 296 H LEU 38 H LEU 38 -22.139 13.557 -29.872 297 HA LEU 38 HA LEU 38 -22.277 12.437 -32.550 298 HB2 LEU 38 HB2 LEU 38 -20.779 10.683 -32.264 299 HB3 LEU 38 HB3 LEU 38 -19.933 12.079 -31.640 300 HG LEU 38 HG LEU 38 -21.194 9.866 -29.995 301 HD11 LEU 38 HD11 LEU 38 -18.914 9.354 -29.395 302 HD12 LEU 38 HD12 LEU 38 -18.328 10.658 -30.428 303 HD13 LEU 38 HD13 LEU 38 -19.132 9.260 -31.143 304 HD21 LEU 38 HD21 LEU 38 -21.347 12.132 -28.959 305 HD22 LEU 38 HD22 LEU 38 -19.583 12.199 -29.001 306 HD23 LEU 38 HD23 LEU 38 -20.403 10.951 -28.055 307 H ASN 39 H ASN 39 -22.806 9.909 -32.171 308 HA ASN 39 HA ASN 39 -25.483 9.854 -31.506 309 HB2 ASN 39 HB2 ASN 39 -24.348 8.187 -32.904 310 HB3 ASN 39 HB3 ASN 39 -23.496 7.587 -31.483 311 HD21 ASN 39 HD21 ASN 39 -24.538 6.210 -30.087 312 HD22 ASN 39 HD22 ASN 39 -26.135 5.591 -30.368 313 H THR 40 H THR 40 -23.103 7.976 -29.702 314 HA THR 40 HA THR 40 -24.669 8.438 -27.257 315 HB THR 40 HB THR 40 -23.103 6.296 -26.667 316 HG1 THR 40 HG1 THR 40 -22.391 6.285 -28.930 317 HG21 THR 40 HG21 THR 40 -25.095 4.908 -27.070 318 HG22 THR 40 HG22 THR 40 -25.805 6.211 -28.023 319 HG23 THR 40 HG23 THR 40 -25.516 6.437 -26.298 320 H GLU 41 H GLU 41 -23.296 8.314 -25.236 321 HA GLU 41 HA GLU 41 -21.304 10.275 -25.286 322 HB2 GLU 41 HB2 GLU 41 -21.693 8.080 -23.234 323 HB3 GLU 41 HB3 GLU 41 -20.805 9.576 -22.987 324 HG2 GLU 41 HG2 GLU 41 -22.713 10.846 -22.862 325 HG3 GLU 41 HG3 GLU 41 -23.670 9.691 -23.793 326 H LEU 42 H LEU 42 -19.729 9.842 -26.804 327 HA LEU 42 HA LEU 42 -18.125 7.683 -27.185 328 HB2 LEU 42 HB2 LEU 42 -17.874 9.834 -28.362 329 HB3 LEU 42 HB3 LEU 42 -17.192 10.542 -26.911 330 HG LEU 42 HG LEU 42 -15.283 8.977 -27.064 331 HD11 LEU 42 HD11 LEU 42 -14.938 7.680 -29.088 332 HD12 LEU 42 HD12 LEU 42 -16.508 8.194 -29.703 333 HD13 LEU 42 HD13 LEU 42 -16.416 7.175 -28.267 334 HD21 LEU 42 HD21 LEU 42 -15.784 10.634 -29.533 335 HD22 LEU 42 HD22 LEU 42 -14.213 10.051 -28.985 336 HD23 LEU 42 HD23 LEU 42 -15.114 11.214 -28.010 337 H HIS 43 H HIS 43 -17.355 10.289 -24.913 338 HA HIS 43 HA HIS 43 -17.119 8.534 -22.704 339 HB2 HIS 43 HB2 HIS 43 -14.798 8.796 -22.152 340 HB3 HIS 43 HB3 HIS 43 -14.867 8.192 -23.801 341 HD1 HIS 43 HD1 HIS 43 -13.728 9.629 -25.594 342 HD2 HIS 43 HD2 HIS 43 -14.020 11.504 -21.898 343 HE1 HIS 43 HE1 HIS 43 -12.332 11.731 -25.749 344 H LEU 44 H LEU 44 -16.626 9.827 -20.720 345 HA LEU 44 HA LEU 44 -16.831 12.689 -20.961 346 HB2 LEU 44 HB2 LEU 44 -18.916 12.982 -19.871 347 HB3 LEU 44 HB3 LEU 44 -19.186 11.893 -21.214 348 HG LEU 44 HG LEU 44 -18.821 10.913 -18.385 349 HD11 LEU 44 HD11 LEU 44 -20.714 12.448 -18.468 350 HD12 LEU 44 HD12 LEU 44 -21.249 10.781 -18.254 351 HD13 LEU 44 HD13 LEU 44 -21.383 11.555 -19.833 352 HD21 LEU 44 HD21 LEU 44 -19.990 8.930 -19.248 353 HD22 LEU 44 HD22 LEU 44 -18.484 9.233 -20.113 354 HD23 LEU 44 HD23 LEU 44 -20.027 9.660 -20.853 355 H THR 45 H THR 45 -17.487 13.402 -18.452 356 HA THR 45 HA THR 45 -15.249 12.655 -16.913 357 HB THR 45 HB THR 45 -17.699 13.821 -15.662 358 HG1 THR 45 HG1 THR 45 -15.969 15.596 -16.941 359 HG21 THR 45 HG21 THR 45 -15.670 13.436 -14.313 360 HG22 THR 45 HG22 THR 45 -16.068 15.151 -14.434 361 HG23 THR 45 HG23 THR 45 -14.762 14.477 -15.408 362 H LYS 46 H LYS 46 -15.143 10.519 -16.505 363 HA LYS 46 HA LYS 46 -17.427 9.297 -15.129 364 HB2 LYS 46 HB2 LYS 46 -17.250 7.439 -16.393 365 HB3 LYS 46 HB3 LYS 46 -16.398 8.502 -17.504 366 HG2 LYS 46 HG2 LYS 46 -14.987 6.887 -15.403 367 HG3 LYS 46 HG3 LYS 46 -15.335 6.264 -17.015 368 HD2 LYS 46 HD2 LYS 46 -13.883 7.756 -18.038 369 HD3 LYS 46 HD3 LYS 46 -13.910 8.869 -16.666 370 HE2 LYS 46 HE2 LYS 46 -12.606 7.393 -15.338 371 HE3 LYS 46 HE3 LYS 46 -12.754 6.098 -16.523 372 HZ1 LYS 46 HZ1 LYS 46 -11.296 8.660 -16.933 373 HZ2 LYS 46 HZ2 LYS 46 -11.452 7.423 -18.078 374 HZ3 LYS 46 HZ3 LYS 46 -10.581 7.149 -16.652 375 H TYR 47 H TYR 47 -16.960 7.772 -13.466 376 HA TYR 47 HA TYR 47 -14.273 8.035 -12.332 377 HB2 TYR 47 HB2 TYR 47 -16.910 8.430 -10.916 378 HB3 TYR 47 HB3 TYR 47 -15.410 8.110 -10.052 379 HD1 TYR 47 HD2 TYR 47 -17.106 10.537 -12.292 380 HD2 TYR 47 HD1 TYR 47 -13.826 9.816 -9.681 381 HE1 TYR 47 HE2 TYR 47 -16.522 12.926 -12.374 382 HE2 TYR 47 HE1 TYR 47 -13.230 12.197 -9.760 383 HH TYR 47 HH TYR 47 -15.290 14.583 -11.052 384 H TYR 48 H TYR 48 -13.395 6.208 -11.686 385 HA TYR 48 HA TYR 48 -14.726 3.724 -12.089 386 HB2 TYR 48 HB2 TYR 48 -12.054 4.515 -10.961 387 HB3 TYR 48 HB3 TYR 48 -12.612 2.851 -10.858 388 HD1 TYR 48 HD2 TYR 48 -13.567 4.792 -13.791 389 HD2 TYR 48 HD1 TYR 48 -10.647 2.164 -12.164 390 HE1 TYR 48 HE2 TYR 48 -12.705 4.354 -16.055 391 HE2 TYR 48 HE1 TYR 48 -9.780 1.718 -14.420 392 HH TYR 48 HH TYR 48 -10.378 1.835 -16.680 393 H GLY 49 H GLY 49 -16.307 3.121 -10.769 394 HA2 GLY 49 HA2 GLY 49 -16.400 3.946 -8.014 395 HA3 GLY 49 HA3 GLY 49 -17.550 2.902 -8.842 396 H PHE 50 H PHE 50 -14.396 3.003 -7.288 397 HA PHE 50 HA PHE 50 -14.318 0.114 -7.068 398 HB2 PHE 50 HB2 PHE 50 -12.456 2.343 -6.513 399 HB3 PHE 50 HB3 PHE 50 -12.324 0.953 -5.440 400 HD1 PHE 50 HD2 PHE 50 -11.857 -1.279 -6.382 401 HD2 PHE 50 HD1 PHE 50 -11.633 2.249 -8.753 402 HE1 PHE 50 HE2 PHE 50 -10.517 -2.487 -8.052 403 HE2 PHE 50 HE1 PHE 50 -10.310 1.049 -10.420 404 HZ PHE 50 HZ PHE 50 -9.728 -1.317 -10.065 405 H SER 51 H SER 51 -14.972 -1.028 -5.364 406 HA SER 51 HA SER 51 -15.390 0.226 -2.788 407 HB2 SER 51 HB2 SER 51 -17.728 -1.095 -4.178 408 HB3 SER 51 HB3 SER 51 -17.734 -0.258 -2.625 409 HG SER 51 HG SER 51 -16.784 1.450 -4.363 410 H PHE 52 H PHE 52 -15.653 -1.292 -1.109 411 HA PHE 52 HA PHE 52 -15.068 -4.058 -1.917 412 HB2 PHE 52 HB2 PHE 52 -13.399 -2.907 -0.392 413 HB3 PHE 52 HB3 PHE 52 -14.660 -2.894 0.840 414 HD1 PHE 52 HD2 PHE 52 -15.566 -5.058 1.698 415 HD2 PHE 52 HD1 PHE 52 -12.178 -4.872 -0.872 416 HE1 PHE 52 HE2 PHE 52 -14.978 -7.366 2.313 417 HE2 PHE 52 HE1 PHE 52 -11.593 -7.180 -0.268 418 HZ PHE 52 HZ PHE 52 -12.989 -8.430 1.328 419 H PHE 53 H PHE 53 -16.519 -5.560 -1.575 420 HA PHE 53 HA PHE 53 -18.983 -4.816 -0.183 421 HB2 PHE 53 HB2 PHE 53 -18.316 -6.652 -2.417 422 HB3 PHE 53 HB3 PHE 53 -19.653 -7.115 -1.367 423 HD1 PHE 53 HD1 PHE 53 -21.621 -5.755 -1.199 424 HD2 PHE 53 HD2 PHE 53 -18.491 -4.761 -3.890 425 HE1 PHE 53 HE1 PHE 53 -23.140 -4.222 -2.387 426 HE2 PHE 53 HE2 PHE 53 -19.999 -3.230 -5.089 427 HZ PHE 53 HZ PHE 53 -22.327 -2.956 -4.332 428 H ARG 54 H ARG 54 -19.687 -5.805 1.562 429 HA ARG 54 HA ARG 54 -18.562 -8.391 2.331 430 HB2 ARG 54 HB2 ARG 54 -17.621 -6.122 3.507 431 HB3 ARG 54 HB3 ARG 54 -18.976 -6.490 4.563 432 HG2 ARG 54 HG2 ARG 54 -17.179 -8.737 3.923 433 HG3 ARG 54 HG3 ARG 54 -16.500 -7.451 4.918 434 HD2 ARG 54 HD2 ARG 54 -18.304 -7.709 6.519 435 HD3 ARG 54 HD3 ARG 54 -19.055 -8.943 5.506 436 HE ARG 54 HE ARG 54 -16.827 -10.158 5.881 437 HH11 ARG 54 1HH1 ARG 54 -18.388 -8.129 8.269 438 HH12 ARG 54 2HH1 ARG 54 -17.676 -8.951 9.623 439 HH21 ARG 54 1HH2 ARG 54 -15.853 -11.210 7.691 440 HH22 ARG 54 2HH2 ARG 54 -16.239 -10.679 9.296 441 H HIS 55 H HIS 55 -20.362 -9.595 2.226 442 HA HIS 55 HA HIS 55 -22.501 -10.328 2.428 443 HB2 HIS 55 HB2 HIS 55 -22.328 -8.465 4.751 444 HB3 HIS 55 HB3 HIS 55 -23.900 -9.119 4.297 445 HD1 HIS 55 HD1 HIS 55 -24.454 -11.312 5.349 446 HD2 HIS 55 HD2 HIS 55 -20.357 -10.624 5.116 447 HE1 HIS 55 HE1 HIS 55 -23.321 -13.290 6.475 448 H GLY 56 H GLY 56 -21.901 -8.264 0.549 449 HA2 GLY 56 HA2 GLY 56 -23.165 -7.135 -1.026 450 HA3 GLY 56 HA3 GLY 56 -24.597 -7.465 -0.061 451 H ASN 57 H ASN 57 -22.611 -6.191 2.132 452 HA ASN 57 HA ASN 57 -23.687 -3.507 1.803 453 HB2 ASN 57 HB2 ASN 57 -21.878 -4.493 4.019 454 HB3 ASN 57 HB3 ASN 57 -22.847 -3.026 4.009 455 HD21 ASN 57 HD21 ASN 57 -22.763 -6.379 4.536 456 HD22 ASN 57 HD22 ASN 57 -24.378 -6.557 5.152 457 H ILE 58 H ILE 58 -22.069 -1.724 2.449 458 HA ILE 58 HA ILE 58 -19.656 -2.155 0.823 459 HB ILE 58 HB ILE 58 -21.281 0.337 1.270 460 HG12 ILE 58 HG12 ILE 58 -21.952 -1.245 -0.518 461 HG13 ILE 58 HG13 ILE 58 -21.460 0.323 -1.153 462 HG21 ILE 58 HG21 ILE 58 -18.539 0.136 0.030 463 HG22 ILE 58 HG22 ILE 58 -18.956 0.986 1.518 464 HG23 ILE 58 HG23 ILE 58 -19.581 1.557 -0.029 465 HD11 ILE 58 HD11 ILE 58 -20.620 -1.528 -2.498 466 HD12 ILE 58 HD12 ILE 58 -19.760 -2.162 -1.093 467 HD13 ILE 58 HD13 ILE 58 -19.305 -0.602 -1.776 468 H VAL 59 H VAL 59 -17.903 -2.359 1.913 469 HA VAL 59 HA VAL 59 -17.658 -1.138 4.560 470 HB VAL 59 HB VAL 59 -15.952 -3.187 3.137 471 HG11 VAL 59 HG11 VAL 59 -15.567 -1.949 5.857 472 HG12 VAL 59 HG12 VAL 59 -14.494 -1.800 4.465 473 HG13 VAL 59 HG13 VAL 59 -14.701 -3.361 5.258 474 HG21 VAL 59 HG21 VAL 59 -18.053 -4.062 3.982 475 HG22 VAL 59 HG22 VAL 59 -17.726 -3.364 5.569 476 HG23 VAL 59 HG23 VAL 59 -16.707 -4.666 4.953 477 H ALA 60 H ALA 60 -16.198 -1.158 1.366 478 HA ALA 60 HA ALA 60 -14.806 1.338 2.084 479 HB1 ALA 60 1HB ALA 60 -13.166 -0.482 1.926 480 HB2 ALA 60 HB2 ALA 60 -12.939 0.719 0.653 481 HB3 ALA 60 HB3 ALA 60 -13.711 -0.824 0.283 482 H TYR 61 H TYR 61 -14.887 2.952 0.585 483 HA TYR 61 HA TYR 61 -15.863 2.356 -2.088 484 HB2 TYR 61 HB2 TYR 61 -17.859 2.968 -0.645 485 HB3 TYR 61 HB3 TYR 61 -17.136 4.563 -0.455 486 HD1 TYR 61 HD2 TYR 61 -16.918 6.063 -2.428 487 HD2 TYR 61 HD1 TYR 61 -18.945 2.336 -2.672 488 HE1 TYR 61 HE2 TYR 61 -17.948 6.768 -4.547 489 HE2 TYR 61 HE1 TYR 61 -19.975 3.029 -4.794 490 HH TYR 61 HH TYR 61 -20.500 4.983 -6.039 491 H GLY 62 H GLY 62 -14.942 3.619 -3.603 492 HA2 GLY 62 HA2 GLY 62 -14.040 6.274 -3.057 493 HA3 GLY 62 HA3 GLY 62 -12.701 5.139 -3.178 494 H LYS 63 H LYS 63 -14.852 7.105 -4.901 495 HA LYS 63 HA LYS 63 -14.215 5.697 -7.391 496 HB2 LYS 63 HB2 LYS 63 -16.040 6.700 -8.426 497 HB3 LYS 63 HB3 LYS 63 -16.634 6.434 -6.795 498 HG2 LYS 63 HG2 LYS 63 -16.205 8.757 -6.247 499 HG3 LYS 63 HG3 LYS 63 -15.545 9.032 -7.851 500 HD2 LYS 63 HD2 LYS 63 -17.802 9.845 -7.820 501 HD3 LYS 63 HD3 LYS 63 -17.741 8.393 -8.816 502 HE2 LYS 63 HE2 LYS 63 -19.677 8.142 -7.530 503 HE3 LYS 63 HE3 LYS 63 -18.479 7.132 -6.726 504 HZ1 LYS 63 HZ1 LYS 63 -19.183 9.894 -5.890 505 HZ2 LYS 63 HZ2 LYS 63 -18.154 8.828 -5.071 506 HZ3 LYS 63 HZ3 LYS 63 -19.811 8.488 -5.184 507 H SER 64 H SER 64 -13.169 6.729 -9.044 508 HA SER 64 HA SER 64 -12.275 9.443 -8.835 509 HB2 SER 64 HB2 SER 64 -10.696 8.313 -7.292 510 HB3 SER 64 HB3 SER 64 -10.208 7.243 -8.609 511 HG SER 64 HG SER 64 -9.372 9.740 -8.045 512 H ARG 65 H ARG 65 -10.892 10.030 -10.729 513 HA ARG 65 HA ARG 65 -12.040 8.912 -13.086 514 HB2 ARG 65 HB2 ARG 65 -9.731 10.843 -12.810 515 HB3 ARG 65 HB3 ARG 65 -10.619 10.507 -14.291 516 HG2 ARG 65 HG2 ARG 65 -12.640 11.430 -13.314 517 HG3 ARG 65 HG3 ARG 65 -11.792 11.712 -11.792 518 HD2 ARG 65 HD2 ARG 65 -10.233 13.212 -13.002 519 HD3 ARG 65 HD3 ARG 65 -11.204 12.999 -14.456 520 HE ARG 65 HE ARG 65 -12.834 13.874 -12.312 521 HH11 ARG 65 1HH1 ARG 65 -10.386 15.022 -14.525 522 HH12 ARG 65 2HH1 ARG 65 -10.932 16.672 -14.488 523 HH21 ARG 65 1HH2 ARG 65 -13.568 16.044 -12.263 524 HH22 ARG 65 2HH2 ARG 65 -12.742 17.247 -13.201 525 H LYS 66 H LYS 66 -9.267 8.191 -11.221 526 HA LYS 66 HA LYS 66 -8.210 6.503 -13.389 527 HB2 LYS 66 HB2 LYS 66 -6.695 7.785 -11.110 528 HB3 LYS 66 HB3 LYS 66 -6.006 6.639 -12.248 529 HG2 LYS 66 HG2 LYS 66 -5.310 8.688 -13.059 530 HG3 LYS 66 HG3 LYS 66 -6.719 8.322 -14.056 531 HD2 LYS 66 HD2 LYS 66 -6.802 10.633 -13.360 532 HD3 LYS 66 HD3 LYS 66 -8.093 9.735 -12.562 533 HE2 LYS 66 HE2 LYS 66 -7.053 11.215 -10.970 534 HE3 LYS 66 HE3 LYS 66 -6.670 9.545 -10.553 535 HZ1 LYS 66 HZ1 LYS 66 -4.502 9.802 -11.541 536 HZ2 LYS 66 HZ2 LYS 66 -4.745 11.024 -10.389 537 HZ3 LYS 66 HZ3 LYS 66 -4.875 11.380 -12.043 538 H VAL 67 H VAL 67 -7.622 4.426 -12.915 539 HA VAL 67 HA VAL 67 -9.149 3.071 -10.999 540 HB VAL 67 HB VAL 67 -8.473 1.925 -12.987 541 HG11 VAL 67 HG11 VAL 67 -6.400 3.073 -13.433 542 HG12 VAL 67 HG12 VAL 67 -6.143 1.327 -13.445 543 HG13 VAL 67 HG13 VAL 67 -5.642 2.285 -12.051 544 HG21 VAL 67 HG21 VAL 67 -7.418 -0.132 -12.076 545 HG22 VAL 67 HG22 VAL 67 -8.786 0.446 -11.131 546 HG23 VAL 67 HG23 VAL 67 -7.143 0.731 -10.566 547 H ALA 68 H ALA 68 -5.699 3.955 -10.969 548 HA ALA 68 HA ALA 68 -5.039 2.559 -8.610 549 HB1 ALA 68 1HB ALA 68 -3.720 5.006 -9.771 550 HB2 ALA 68 HB2 ALA 68 -3.366 3.336 -10.213 551 HB3 ALA 68 HB3 ALA 68 -3.013 3.910 -8.582 552 H ASN 69 H ASN 69 -6.127 5.880 -9.151 553 HA ASN 69 HA ASN 69 -5.763 6.762 -6.481 554 HB2 ASN 69 HB2 ASN 69 -6.141 8.157 -8.633 555 HB3 ASN 69 HB3 ASN 69 -7.848 7.877 -8.347 556 HD21 ASN 69 HD21 ASN 69 -7.465 7.974 -5.398 557 HD22 ASN 69 HD22 ASN 69 -7.258 9.657 -5.023 558 H ALA 70 H ALA 70 -8.585 5.586 -8.273 559 HA ALA 70 HA ALA 70 -10.471 5.713 -6.233 560 HB1 ALA 70 1HB ALA 70 -10.285 3.700 -8.471 561 HB2 ALA 70 HB2 ALA 70 -11.009 5.304 -8.587 562 HB3 ALA 70 HB3 ALA 70 -11.733 4.084 -7.538 563 H LYS 71 H LYS 71 -8.404 2.962 -7.185 564 HA LYS 71 HA LYS 71 -9.205 1.149 -5.230 565 HB2 LYS 71 HB2 LYS 71 -6.506 1.538 -6.523 566 HB3 LYS 71 HB3 LYS 71 -6.895 0.172 -5.489 567 HG2 LYS 71 HG2 LYS 71 -8.697 -0.419 -7.032 568 HG3 LYS 71 HG3 LYS 71 -8.181 0.892 -8.087 569 HD2 LYS 71 HD2 LYS 71 -6.498 -1.476 -7.272 570 HD3 LYS 71 HD3 LYS 71 -7.305 -1.280 -8.827 571 HE2 LYS 71 HE2 LYS 71 -5.965 0.783 -9.192 572 HE3 LYS 71 HE3 LYS 71 -5.091 0.428 -7.703 573 HZ1 LYS 71 HZ1 LYS 71 -4.264 -1.594 -8.643 574 HZ2 LYS 71 HZ2 LYS 71 -3.948 -0.341 -9.745 575 HZ3 LYS 71 HZ3 LYS 71 -5.229 -1.418 -10.027 576 H TYR 72 H TYR 72 -6.758 3.667 -5.136 577 HA TYR 72 HA TYR 72 -5.559 3.035 -2.739 578 HB2 TYR 72 HB2 TYR 72 -4.488 4.653 -4.067 579 HB3 TYR 72 HB3 TYR 72 -5.947 5.623 -4.219 580 HD1 TYR 72 HD2 TYR 72 -3.254 4.638 -1.863 581 HD2 TYR 72 HD1 TYR 72 -6.417 7.362 -2.706 582 HE1 TYR 72 HE2 TYR 72 -2.488 6.090 -0.032 583 HE2 TYR 72 HE1 TYR 72 -5.651 8.818 -0.879 584 HH TYR 72 HH TYR 72 -4.322 8.580 1.246 585 H ILE 73 H ILE 73 -8.350 5.103 -3.360 586 HA ILE 73 HA ILE 73 -8.759 6.048 -0.757 587 HB ILE 73 HB ILE 73 -10.798 5.586 -2.933 588 HG12 ILE 73 HG12 ILE 73 -9.525 8.213 -2.222 589 HG13 ILE 73 HG13 ILE 73 -8.696 7.093 -3.298 590 HG21 ILE 73 HG21 ILE 73 -11.826 5.848 -0.724 591 HG22 ILE 73 HG22 ILE 73 -12.149 7.249 -1.750 592 HG23 ILE 73 HG23 ILE 73 -10.926 7.348 -0.482 593 HD11 ILE 73 HD11 ILE 73 -11.403 8.325 -3.731 594 HD12 ILE 73 HD12 ILE 73 -10.650 7.126 -4.782 595 HD13 ILE 73 HD13 ILE 73 -9.906 8.713 -4.584 596 H MET 74 H MET 74 -10.367 3.337 -2.449 597 HA MET 74 HA MET 74 -11.951 2.586 -0.241 598 HB2 MET 74 HB2 MET 74 -12.379 0.501 -1.418 599 HB3 MET 74 HB3 MET 74 -12.457 1.851 -2.540 600 HG2 MET 74 HG2 MET 74 -10.472 1.263 -3.571 601 HG3 MET 74 HG3 MET 74 -9.946 0.277 -2.209 602 HE1 MET 74 HE1 MET 74 -9.209 -1.443 -4.104 603 HE2 MET 74 HE2 MET 74 -10.225 -2.883 -3.995 604 HE3 MET 74 HE3 MET 74 -9.706 -2.052 -2.526 605 H LYS 75 H LYS 75 -8.719 1.587 -1.268 606 HA LYS 75 HA LYS 75 -8.342 -0.533 0.501 607 HB2 LYS 75 HB2 LYS 75 -6.398 1.463 -0.654 608 HB3 LYS 75 HB3 LYS 75 -5.884 0.108 0.340 609 HG2 LYS 75 HG2 LYS 75 -6.617 -1.468 -1.251 610 HG3 LYS 75 HG3 LYS 75 -7.523 -0.249 -2.151 611 HD2 LYS 75 HD2 LYS 75 -5.469 0.841 -2.802 612 HD3 LYS 75 HD3 LYS 75 -4.527 -0.291 -1.832 613 HE2 LYS 75 HE2 LYS 75 -6.274 -1.057 -4.165 614 HE3 LYS 75 HE3 LYS 75 -4.529 -0.823 -4.258 615 HZ1 LYS 75 HZ1 LYS 75 -4.933 -3.126 -4.020 616 HZ2 LYS 75 HZ2 LYS 75 -6.001 -2.900 -2.730 617 HZ3 LYS 75 HZ3 LYS 75 -4.341 -2.595 -2.526 618 H GLN 76 H GLN 76 -7.599 2.914 0.952 619 HA GLN 76 HA GLN 76 -6.581 2.722 3.556 620 HB2 GLN 76 HB2 GLN 76 -7.958 4.999 2.128 621 HB3 GLN 76 HB3 GLN 76 -7.208 5.168 3.711 622 HG2 GLN 76 HG2 GLN 76 -5.815 4.361 1.164 623 HG3 GLN 76 HG3 GLN 76 -5.736 5.944 1.936 624 HE21 GLN 76 HE21 GLN 76 -3.619 4.015 1.321 625 HE22 GLN 76 HE22 GLN 76 -2.826 3.681 2.824 626 H ARG 77 H ARG 77 -9.848 2.634 2.399 627 HA ARG 77 HA ARG 77 -11.205 3.381 4.749 628 HB2 ARG 77 HB2 ARG 77 -12.075 1.435 2.600 629 HB3 ARG 77 HB3 ARG 77 -13.124 2.131 3.825 630 HG2 ARG 77 HG2 ARG 77 -11.625 3.769 1.798 631 HG3 ARG 77 HG3 ARG 77 -13.270 3.179 1.562 632 HD2 ARG 77 HD2 ARG 77 -13.890 4.360 3.683 633 HD3 ARG 77 HD3 ARG 77 -12.285 5.086 3.675 634 HE ARG 77 HE ARG 77 -12.888 6.175 1.590 635 HH11 ARG 77 1HH1 ARG 77 -15.507 4.820 3.493 636 HH12 ARG 77 2HH1 ARG 77 -16.722 5.821 2.749 637 HH21 ARG 77 1HH2 ARG 77 -14.482 7.467 0.608 638 HH22 ARG 77 2HH2 ARG 77 -16.145 7.305 1.083 639 H LEU 78 H LEU 78 -10.787 0.023 3.503 640 HA LEU 78 HA LEU 78 -11.458 -1.133 6.027 641 HB2 LEU 78 HB2 LEU 78 -9.707 -2.685 4.207 642 HB3 LEU 78 HB3 LEU 78 -11.115 -3.192 5.119 643 HG LEU 78 HG LEU 78 -12.335 -1.648 3.304 644 HD11 LEU 78 HD11 LEU 78 -11.311 -1.971 1.119 645 HD12 LEU 78 HD12 LEU 78 -9.918 -2.747 1.873 646 HD13 LEU 78 HD13 LEU 78 -10.242 -1.041 2.169 647 HD21 LEU 78 HD21 LEU 78 -12.793 -3.997 3.840 648 HD22 LEU 78 HD22 LEU 78 -11.423 -4.480 2.837 649 HD23 LEU 78 HD23 LEU 78 -12.821 -3.694 2.103 650 H LEU 79 H LEU 79 -8.477 -0.108 4.539 651 HA LEU 79 HA LEU 79 -6.579 -1.455 6.011 652 HB2 LEU 79 HB2 LEU 79 -6.184 0.062 4.065 653 HB3 LEU 79 HB3 LEU 79 -6.439 1.431 5.123 654 HG LEU 79 HG LEU 79 -4.023 0.700 4.509 655 HD11 LEU 79 HD11 LEU 79 -3.203 1.499 6.659 656 HD12 LEU 79 HD12 LEU 79 -4.808 1.273 7.357 657 HD13 LEU 79 HD13 LEU 79 -4.562 2.465 6.078 658 HD21 LEU 79 HD21 LEU 79 -4.252 -1.647 5.075 659 HD22 LEU 79 HD22 LEU 79 -4.646 -1.226 6.742 660 HD23 LEU 79 HD23 LEU 79 -3.038 -0.881 6.101 661 H LYS 80 H LYS 80 -8.262 1.547 6.862 662 HA LYS 80 HA LYS 80 -6.942 1.738 9.392 663 HB2 LYS 80 HB2 LYS 80 -8.878 3.320 7.901 664 HB3 LYS 80 HB3 LYS 80 -9.243 3.255 9.620 665 HG2 LYS 80 HG2 LYS 80 -6.663 4.162 8.360 666 HG3 LYS 80 HG3 LYS 80 -7.867 5.174 9.161 667 HD2 LYS 80 HD2 LYS 80 -6.249 2.986 10.479 668 HD3 LYS 80 HD3 LYS 80 -5.935 4.715 10.614 669 HE2 LYS 80 HE2 LYS 80 -8.512 3.402 11.471 670 HE3 LYS 80 HE3 LYS 80 -7.158 3.706 12.557 671 HZ1 LYS 80 HZ1 LYS 80 -7.360 6.086 12.009 672 HZ2 LYS 80 HZ2 LYS 80 -8.743 5.464 12.767 673 HZ3 LYS 80 HZ3 LYS 80 -8.750 5.749 11.094 674 H LEU 81 H LEU 81 -9.849 0.237 8.216 675 HA LEU 81 HA LEU 81 -11.170 -0.011 10.708 676 HB2 LEU 81 HB2 LEU 81 -11.434 -1.691 8.219 677 HB3 LEU 81 HB3 LEU 81 -12.538 -1.725 9.580 678 HG LEU 81 HG LEU 81 -12.053 0.628 7.750 679 HD11 LEU 81 HD11 LEU 81 -14.359 0.247 7.046 680 HD12 LEU 81 HD12 LEU 81 -14.437 -1.184 8.074 681 HD13 LEU 81 HD13 LEU 81 -13.334 -1.145 6.697 682 HD21 LEU 81 HD21 LEU 81 -13.883 1.703 8.961 683 HD22 LEU 81 HD22 LEU 81 -12.519 1.361 10.026 684 HD23 LEU 81 HD23 LEU 81 -13.952 0.335 10.073 685 H LEU 82 H LEU 82 -8.896 -2.099 8.987 686 HA LEU 82 HA LEU 82 -9.117 -4.156 10.993 687 HB2 LEU 82 HB2 LEU 82 -7.174 -5.177 9.719 688 HB3 LEU 82 HB3 LEU 82 -8.693 -4.999 8.865 689 HG LEU 82 HG LEU 82 -7.416 -2.686 8.184 690 HD11 LEU 82 HD11 LEU 82 -5.329 -3.301 9.221 691 HD12 LEU 82 HD12 LEU 82 -5.161 -3.336 7.462 692 HD13 LEU 82 HD13 LEU 82 -5.328 -4.843 8.361 693 HD21 LEU 82 HD21 LEU 82 -8.612 -4.096 6.667 694 HD22 LEU 82 HD22 LEU 82 -7.381 -5.352 6.802 695 HD23 LEU 82 HD23 LEU 82 -6.988 -3.812 6.037 696 H GLU 83 H GLU 83 -7.149 -1.354 10.530 697 HA GLU 83 HA GLU 83 -5.121 -2.180 12.419 698 HB2 GLU 83 HB2 GLU 83 -5.741 0.478 11.131 699 HB3 GLU 83 HB3 GLU 83 -4.416 0.238 12.261 700 HG2 GLU 83 HG2 GLU 83 -4.758 -1.131 9.604 701 HG3 GLU 83 HG3 GLU 83 -3.632 0.176 9.970 702 H ASP 84 H ASP 84 -8.012 -0.213 12.412 703 HA ASP 84 HA ASP 84 -7.676 0.655 15.153 704 HB2 ASP 84 HB2 ASP 84 -8.725 2.162 13.526 705 HB3 ASP 84 HB3 ASP 84 -9.981 0.975 13.212 706 H LYS 85 H LYS 85 -8.982 -1.973 13.469 707 HA LYS 85 HA LYS 85 -10.207 -3.784 14.011 708 HB2 LYS 85 HB2 LYS 85 -9.721 -2.870 16.853 709 HB3 LYS 85 HB3 LYS 85 -10.376 -4.437 16.390 710 HG2 LYS 85 HG2 LYS 85 -7.653 -3.397 15.614 711 HG3 LYS 85 HG3 LYS 85 -7.975 -4.540 16.926 712 HD2 LYS 85 HD2 LYS 85 -8.991 -6.073 15.241 713 HD3 LYS 85 HD3 LYS 85 -8.476 -4.955 13.980 714 HE2 LYS 85 HE2 LYS 85 -6.666 -6.393 15.919 715 HE3 LYS 85 HE3 LYS 85 -6.913 -6.820 14.227 716 HZ1 LYS 85 HZ1 LYS 85 -4.898 -5.577 14.431 717 HZ2 LYS 85 HZ2 LYS 85 -5.677 -4.326 15.272 718 HZ3 LYS 85 HZ3 LYS 85 -6.036 -4.601 13.636 719 H SER 86 H SER 86 -11.515 -1.642 13.143 720 HA SER 86 HA SER 86 -13.791 -1.028 14.795 721 HB2 SER 86 HB2 SER 86 -13.567 -0.515 11.837 722 HB3 SER 86 HB3 SER 86 -14.442 0.419 13.050 723 HG SER 86 HG SER 86 -12.222 0.822 13.952 724 H ASN 87 H ASN 87 -15.768 -1.968 14.706 725 HA ASN 87 HA ASN 87 -15.970 -4.602 13.713 726 HB2 ASN 87 HB2 ASN 87 -18.251 -4.572 14.503 727 HB3 ASN 87 HB3 ASN 87 -17.231 -3.745 15.674 728 HD21 ASN 87 HD21 ASN 87 -20.123 -3.572 15.071 729 HD22 ASN 87 HD22 ASN 87 -20.428 -1.895 14.777 730 H LEU 88 H LEU 88 -16.297 -1.707 12.058 731 HA LEU 88 HA LEU 88 -18.522 -2.106 10.434 732 HB2 LEU 88 HB2 LEU 88 -15.953 -0.644 9.857 733 HB3 LEU 88 HB3 LEU 88 -17.338 -0.619 8.783 734 HG LEU 88 HG LEU 88 -17.534 1.367 9.977 735 HD11 LEU 88 HD11 LEU 88 -19.196 -0.602 11.536 736 HD12 LEU 88 HD12 LEU 88 -19.620 0.085 9.966 737 HD13 LEU 88 HD13 LEU 88 -19.492 1.131 11.381 738 HD21 LEU 88 HD21 LEU 88 -15.799 0.934 11.635 739 HD22 LEU 88 HD22 LEU 88 -16.896 -0.137 12.509 740 HD23 LEU 88 HD23 LEU 88 -17.256 1.585 12.386 741 H LEU 89 H LEU 89 -15.197 -3.241 10.008 742 HA LEU 89 HA LEU 89 -16.140 -4.794 7.693 743 HB2 LEU 89 HB2 LEU 89 -14.301 -3.477 7.036 744 HB3 LEU 89 HB3 LEU 89 -13.394 -3.840 8.484 745 HG LEU 89 HG LEU 89 -13.300 -6.232 7.670 746 HD11 LEU 89 HD11 LEU 89 -15.164 -5.945 6.044 747 HD12 LEU 89 HD12 LEU 89 -13.721 -6.730 5.404 748 HD13 LEU 89 HD13 LEU 89 -14.045 -5.041 5.024 749 HD21 LEU 89 HD21 LEU 89 -11.963 -4.131 5.986 750 HD22 LEU 89 HD22 LEU 89 -11.411 -5.789 6.224 751 HD23 LEU 89 HD23 LEU 89 -11.426 -4.659 7.579 752 H LEU 90 H LEU 90 -15.171 -4.997 10.914 753 HA LEU 90 HA LEU 90 -14.336 -7.801 10.659 754 HB2 LEU 90 HB2 LEU 90 -13.817 -5.987 12.995 755 HB3 LEU 90 HB3 LEU 90 -12.985 -7.471 12.565 756 HG LEU 90 HG LEU 90 -12.872 -5.054 10.784 757 HD11 LEU 90 HD11 LEU 90 -12.119 -4.260 12.893 758 HD12 LEU 90 HD12 LEU 90 -10.700 -4.553 11.884 759 HD13 LEU 90 HD13 LEU 90 -11.136 -5.702 13.150 760 HD21 LEU 90 HD21 LEU 90 -10.812 -6.074 10.012 761 HD22 LEU 90 HD22 LEU 90 -12.155 -7.211 9.860 762 HD23 LEU 90 HD23 LEU 90 -10.999 -7.383 11.181 763 H TYR 91 H TYR 91 -17.177 -6.705 11.009 764 HA TYR 91 HA TYR 91 -17.945 -7.455 13.650 765 HB2 TYR 91 HB2 TYR 91 -20.234 -7.236 12.899 766 HB3 TYR 91 HB3 TYR 91 -19.287 -5.886 12.292 767 HD1 TYR 91 HD2 TYR 91 -20.743 -9.176 11.297 768 HD2 TYR 91 HD1 TYR 91 -19.240 -5.398 10.006 769 HE1 TYR 91 HE2 TYR 91 -21.543 -9.635 9.024 770 HE2 TYR 91 HE1 TYR 91 -20.037 -5.856 7.728 771 HH TYR 91 HH TYR 91 -22.246 -8.229 6.999 772 H SER 92 H SER 92 -19.385 -9.198 14.182 773 HA SER 92 HA SER 92 -18.448 -11.686 13.062 774 HB2 SER 92 HB2 SER 92 -20.418 -11.205 15.313 775 HB3 SER 92 HB3 SER 92 -19.612 -12.727 14.934 776 HG SER 92 HG SER 92 -17.617 -11.210 15.190 777 H CYS 93 H CYS 93 -19.647 -13.170 11.992 778 HA CYS 93 HA CYS 93 -22.454 -12.638 11.362 779 HB2 CYS 93 HB2 CYS 93 -22.125 -12.626 9.039 780 HB3 CYS 93 HB3 CYS 93 -20.825 -11.601 9.646 781 H ASN 94 H ASN 94 -23.435 -14.565 10.240 782 HA ASN 94 HA ASN 94 -22.066 -16.997 11.179 783 HB2 ASN 94 HB2 ASN 94 -24.392 -16.387 12.054 784 HB3 ASN 94 HB3 ASN 94 -24.985 -16.800 10.449 785 HD21 ASN 94 HD21 ASN 94 -24.826 -18.972 9.746 786 HD22 ASN 94 HD22 ASN 94 -24.669 -20.268 10.880 787 H CYS 95 H CYS 95 -20.795 -16.603 8.993 788 HA CYS 95 HA CYS 95 -22.223 -17.805 6.786 789 HB2 CYS 95 HB2 CYS 95 -19.397 -16.884 7.147 790 HB3 CYS 95 HB3 CYS 95 -19.861 -17.871 5.762 791 H LYS 96 H LYS 96 -19.904 -18.769 9.236 792 HA LYS 96 HA LYS 96 -20.513 -21.554 8.521 793 HB2 LYS 96 HB2 LYS 96 -18.343 -22.200 9.543 794 HB3 LYS 96 HB3 LYS 96 -18.166 -21.186 8.122 795 HG2 LYS 96 HG2 LYS 96 -17.740 -19.251 9.539 796 HG3 LYS 96 HG3 LYS 96 -17.930 -20.260 10.974 797 HD2 LYS 96 HD2 LYS 96 -15.859 -20.701 8.823 798 HD3 LYS 96 HD3 LYS 96 -15.556 -19.875 10.351 799 HE2 LYS 96 HE2 LYS 96 -16.254 -21.935 11.541 800 HE3 LYS 96 HE3 LYS 96 -16.405 -22.746 9.985 801 HZ1 LYS 96 HZ1 LYS 96 -13.894 -21.532 11.012 802 HZ2 LYS 96 HZ2 LYS 96 -14.066 -22.453 9.598 803 HZ3 LYS 96 HZ3 LYS 96 -14.277 -23.180 11.116 804 H PHE 97 H PHE 97 -19.837 -19.289 11.147 805 HA PHE 97 HA PHE 97 -22.030 -20.250 12.663 806 HB2 PHE 97 HB2 PHE 97 -20.891 -21.126 14.604 807 HB3 PHE 97 HB3 PHE 97 -20.308 -22.016 13.204 808 HD1 PHE 97 HD1 PHE 97 -19.445 -19.378 15.646 809 HD2 PHE 97 HD2 PHE 97 -18.032 -21.977 12.590 810 HE1 PHE 97 HE1 PHE 97 -17.130 -18.832 16.259 811 HE2 PHE 97 HE2 PHE 97 -15.714 -21.432 13.190 812 HZ PHE 97 HZ PHE 97 -15.255 -19.858 15.033 813 H SER 98 H SER 98 -22.078 -19.078 14.840 814 HA SER 98 HA SER 98 -20.289 -17.057 15.510 815 HB2 SER 98 HB2 SER 98 -21.559 -15.040 14.888 816 HB3 SER 98 HB3 SER 98 -21.038 -15.945 13.470 817 HG SER 98 HG SER 98 -23.243 -16.956 13.685 818 H LYS 99 H LYS 99 -22.441 -15.196 16.398 819 HA LYS 99 HA LYS 99 -23.374 -16.867 18.625 820 HB2 LYS 99 HB2 LYS 99 -22.809 -13.896 18.665 821 HB3 LYS 99 HB3 LYS 99 -23.178 -14.926 20.043 822 HG2 LYS 99 HG2 LYS 99 -20.716 -15.072 18.334 823 HG3 LYS 99 HG3 LYS 99 -20.824 -14.445 19.983 824 HD2 LYS 99 HD2 LYS 99 -21.391 -16.614 20.832 825 HD3 LYS 99 HD3 LYS 99 -21.538 -17.263 19.196 826 HE2 LYS 99 HE2 LYS 99 -19.160 -16.813 18.828 827 HE3 LYS 99 HE3 LYS 99 -19.023 -16.237 20.490 828 HZ1 LYS 99 HZ1 LYS 99 -19.780 -18.983 19.638 829 HZ2 LYS 99 HZ2 LYS 99 -19.731 -18.446 21.245 830 HZ3 LYS 99 HZ3 LYS 99 -18.301 -18.525 20.332 831 H LYS 100 H LYS 100 -25.403 -16.293 19.584 832 HA LYS 100 HA LYS 100 -27.353 -15.652 17.557 833 HB2 LYS 100 HB2 LYS 100 -27.793 -17.511 19.038 834 HB3 LYS 100 HB3 LYS 100 -27.613 -16.484 20.448 835 HG2 LYS 100 HG2 LYS 100 -29.938 -16.972 20.073 836 HG3 LYS 100 HG3 LYS 100 -29.636 -15.259 19.802 837 HD2 LYS 100 HD2 LYS 100 -29.574 -17.141 17.480 838 HD3 LYS 100 HD3 LYS 100 -31.130 -16.636 18.142 839 HE2 LYS 100 HE2 LYS 100 -30.353 -14.261 17.890 840 HE3 LYS 100 HE3 LYS 100 -28.954 -14.882 17.015 841 HZ1 LYS 100 HZ1 LYS 100 -31.807 -15.129 16.229 842 HZ2 LYS 100 HZ2 LYS 100 -30.537 -15.932 15.438 843 HZ3 LYS 100 HZ3 LYS 100 -30.599 -14.235 15.437 844 H LYS 101 H LYS 101 -27.170 -14.540 20.925 845 HA LYS 101 HA LYS 101 -27.874 -11.848 19.970 846 HB2 LYS 101 HB2 LYS 101 -28.726 -13.266 22.492 847 HB3 LYS 101 HB3 LYS 101 -29.053 -11.575 22.149 848 HG2 LYS 101 HG2 LYS 101 -30.080 -13.958 20.629 849 HG3 LYS 101 HG3 LYS 101 -31.008 -12.902 21.696 850 HD2 LYS 101 HD2 LYS 101 -30.478 -11.006 20.174 851 HD3 LYS 101 HD3 LYS 101 -29.708 -12.158 19.080 852 HE2 LYS 101 HE2 LYS 101 -31.983 -11.673 18.359 853 HE3 LYS 101 HE3 LYS 101 -31.833 -13.359 18.857 854 HZ1 LYS 101 HZ1 LYS 101 -33.844 -12.465 19.748 855 HZ2 LYS 101 HZ2 LYS 101 -33.032 -11.135 20.422 856 HZ3 LYS 101 HZ3 LYS 101 -32.766 -12.692 21.036 Start of MODEL 15 1 H MET 1 H MET 1 5.073 -0.956 4.717 2 HA MET 1 HA MET 1 4.715 1.833 5.643 3 HB2 MET 1 HB2 MET 1 6.015 1.551 3.514 4 HB3 MET 1 HB3 MET 1 4.632 0.713 2.830 5 HG2 MET 1 HG2 MET 1 4.561 2.921 2.021 6 HG3 MET 1 HG3 MET 1 3.291 2.789 3.233 7 HE1 MET 1 HE1 MET 1 4.491 5.014 6.124 8 HE2 MET 1 HE2 MET 1 4.392 3.258 6.009 9 HE3 MET 1 HE3 MET 1 3.111 4.259 5.323 10 H LYS 2 H LYS 2 3.180 -0.346 3.299 11 HA LYS 2 HA LYS 2 1.031 -1.102 4.930 12 HB2 LYS 2 HB2 LYS 2 -0.832 0.070 3.835 13 HB3 LYS 2 HB3 LYS 2 0.223 1.184 4.683 14 HG2 LYS 2 HG2 LYS 2 0.887 0.838 1.855 15 HG3 LYS 2 HG3 LYS 2 -0.716 1.511 2.152 16 HD2 LYS 2 HD2 LYS 2 0.394 3.169 3.699 17 HD3 LYS 2 HD3 LYS 2 1.941 2.585 3.085 18 HE2 LYS 2 HE2 LYS 2 1.296 3.223 0.820 19 HE3 LYS 2 HE3 LYS 2 -0.272 3.773 1.412 20 HZ1 LYS 2 HZ1 LYS 2 1.041 5.333 2.888 21 HZ2 LYS 2 HZ2 LYS 2 1.041 5.689 1.233 22 HZ3 LYS 2 HZ3 LYS 2 2.395 4.958 1.937 23 H GLY 3 H GLY 3 -0.094 -2.776 4.011 24 HA2 GLY 3 HA2 GLY 3 1.046 -3.699 1.468 25 HA3 GLY 3 HA3 GLY 3 0.234 -4.701 2.660 26 H ASP 4 H ASP 4 -1.037 -5.612 1.014 27 HA ASP 4 HA ASP 4 -2.939 -3.839 -0.326 28 HB2 ASP 4 HB2 ASP 4 -1.908 -5.474 -1.764 29 HB3 ASP 4 HB3 ASP 4 -2.337 -6.781 -0.663 30 H ILE 5 H ILE 5 -5.095 -3.818 0.107 31 HA ILE 5 HA ILE 5 -5.760 -4.600 2.763 32 HB ILE 5 HB ILE 5 -6.582 -2.504 1.515 33 HG12 ILE 5 HG12 ILE 5 -8.533 -2.369 2.900 34 HG13 ILE 5 HG13 ILE 5 -8.706 -4.122 2.935 35 HG21 ILE 5 HG21 ILE 5 -8.627 -4.499 0.524 36 HG22 ILE 5 HG22 ILE 5 -7.466 -3.621 -0.473 37 HG23 ILE 5 HG23 ILE 5 -8.745 -2.746 0.371 38 HD11 ILE 5 HD11 ILE 5 -6.416 -2.600 4.154 39 HD12 ILE 5 HD12 ILE 5 -6.743 -4.331 4.292 40 HD13 ILE 5 HD13 ILE 5 -7.842 -3.163 5.023 41 H GLU 6 H GLU 6 -6.339 -6.000 -0.371 42 HA GLU 6 HA GLU 6 -8.660 -7.480 0.337 43 HB2 GLU 6 HB2 GLU 6 -6.611 -7.989 -1.830 44 HB3 GLU 6 HB3 GLU 6 -8.126 -8.867 -1.667 45 HG2 GLU 6 HG2 GLU 6 -9.327 -6.701 -1.916 46 HG3 GLU 6 HG3 GLU 6 -7.774 -5.939 -2.259 47 H HIS 7 H HIS 7 -5.215 -8.193 0.276 48 HA HIS 7 HA HIS 7 -5.298 -10.806 1.225 49 HB2 HIS 7 HB2 HIS 7 -3.270 -8.607 1.630 50 HB3 HIS 7 HB3 HIS 7 -3.016 -10.252 2.201 51 HD1 HIS 7 HD1 HIS 7 -3.619 -8.409 -1.097 52 HD2 HIS 7 HD2 HIS 7 -1.957 -11.922 0.391 53 HE1 HIS 7 HE1 HIS 7 -2.473 -9.540 -3.043 54 H LYS 8 H LYS 8 -5.320 -7.732 2.980 55 HA LYS 8 HA LYS 8 -5.193 -8.798 5.588 56 HB2 LYS 8 HB2 LYS 8 -6.697 -6.284 4.885 57 HB3 LYS 8 HB3 LYS 8 -5.829 -6.651 6.367 58 HG2 LYS 8 HG2 LYS 8 -4.635 -6.066 3.669 59 HG3 LYS 8 HG3 LYS 8 -4.603 -5.029 5.096 60 HD2 LYS 8 HD2 LYS 8 -3.259 -6.695 6.274 61 HD3 LYS 8 HD3 LYS 8 -3.314 -7.740 4.851 62 HE2 LYS 8 HE2 LYS 8 -2.132 -6.083 3.544 63 HE3 LYS 8 HE3 LYS 8 -2.138 -4.966 4.913 64 HZ1 LYS 8 HZ1 LYS 8 -0.826 -7.636 4.952 65 HZ2 LYS 8 HZ2 LYS 8 -0.723 -6.426 6.138 66 HZ3 LYS 8 HZ3 LYS 8 -0.013 -6.184 4.616 67 H VAL 9 H VAL 9 -7.962 -7.717 3.646 68 HA VAL 9 HA VAL 9 -10.043 -8.281 5.328 69 HB VAL 9 HB VAL 9 -9.892 -8.624 2.331 70 HG11 VAL 9 HG11 VAL 9 -11.722 -9.996 3.221 71 HG12 VAL 9 HG12 VAL 9 -12.331 -8.614 2.312 72 HG13 VAL 9 HG13 VAL 9 -12.355 -8.587 4.075 73 HG21 VAL 9 HG21 VAL 9 -11.067 -6.488 2.292 74 HG22 VAL 9 HG22 VAL 9 -9.537 -6.353 3.159 75 HG23 VAL 9 HG23 VAL 9 -11.056 -6.441 4.056 76 H TYR 10 H TYR 10 -8.579 -10.561 3.005 77 HA TYR 10 HA TYR 10 -10.201 -12.740 3.764 78 HB2 TYR 10 HB2 TYR 10 -7.542 -12.583 2.361 79 HB3 TYR 10 HB3 TYR 10 -8.325 -14.121 2.697 80 HD1 TYR 10 HD2 TYR 10 -9.019 -10.828 1.094 81 HD2 TYR 10 HD1 TYR 10 -9.761 -15.011 1.099 82 HE1 TYR 10 HE2 TYR 10 -10.308 -10.587 -0.974 83 HE2 TYR 10 HE1 TYR 10 -11.062 -14.785 -0.976 84 HH TYR 10 HH TYR 10 -11.122 -11.831 -2.803 85 H GLN 11 H GLN 11 -6.996 -11.666 4.820 86 HA GLN 11 HA GLN 11 -6.173 -13.887 6.210 87 HB2 GLN 11 HB2 GLN 11 -5.629 -10.971 6.590 88 HB3 GLN 11 HB3 GLN 11 -4.960 -12.145 7.715 89 HG2 GLN 11 HG2 GLN 11 -4.521 -12.174 4.737 90 HG3 GLN 11 HG3 GLN 11 -3.399 -11.500 5.916 91 HE21 GLN 11 HE21 GLN 11 -4.731 -14.379 4.548 92 HE22 GLN 11 HE22 GLN 11 -3.617 -15.490 5.265 93 H LEU 12 H LEU 12 -8.313 -11.331 7.380 94 HA LEU 12 HA LEU 12 -8.504 -12.782 9.918 95 HB2 LEU 12 HB2 LEU 12 -9.982 -10.571 10.354 96 HB3 LEU 12 HB3 LEU 12 -8.273 -10.709 10.693 97 HG LEU 12 HG LEU 12 -7.977 -9.785 8.274 98 HD11 LEU 12 HD11 LEU 12 -10.767 -8.857 8.922 99 HD12 LEU 12 HD12 LEU 12 -10.294 -9.926 7.598 100 HD13 LEU 12 HD13 LEU 12 -9.757 -8.246 7.612 101 HD21 LEU 12 HD21 LEU 12 -8.006 -7.503 9.143 102 HD22 LEU 12 HD22 LEU 12 -7.284 -8.625 10.296 103 HD23 LEU 12 HD23 LEU 12 -8.931 -8.045 10.543 104 H LEU 13 H LEU 13 -10.632 -11.482 7.363 105 HA LEU 13 HA LEU 13 -13.029 -12.136 8.661 106 HB2 LEU 13 HB2 LEU 13 -12.469 -11.920 5.713 107 HB3 LEU 13 HB3 LEU 13 -14.071 -12.074 6.405 108 HG LEU 13 HG LEU 13 -12.171 -9.755 6.655 109 HD11 LEU 13 HD11 LEU 13 -13.952 -8.534 5.625 110 HD12 LEU 13 HD12 LEU 13 -15.034 -9.921 5.740 111 HD13 LEU 13 HD13 LEU 13 -13.641 -9.975 4.657 112 HD21 LEU 13 HD21 LEU 13 -14.800 -10.089 8.085 113 HD22 LEU 13 HD22 LEU 13 -13.668 -8.739 8.214 114 HD23 LEU 13 HD23 LEU 13 -13.226 -10.325 8.853 115 H LYS 14 H LYS 14 -11.126 -14.037 6.346 116 HA LYS 14 HA LYS 14 -12.954 -16.198 6.204 117 HB2 LYS 14 HB2 LYS 14 -11.298 -17.377 5.021 118 HB3 LYS 14 HB3 LYS 14 -10.973 -15.692 4.638 119 HG2 LYS 14 HG2 LYS 14 -9.203 -15.675 6.345 120 HG3 LYS 14 HG3 LYS 14 -9.500 -17.390 6.629 121 HD2 LYS 14 HD2 LYS 14 -8.869 -17.920 4.363 122 HD3 LYS 14 HD3 LYS 14 -8.717 -16.206 3.969 123 HE2 LYS 14 HE2 LYS 14 -6.536 -17.259 4.354 124 HE3 LYS 14 HE3 LYS 14 -6.871 -15.986 5.526 125 HZ1 LYS 14 HZ1 LYS 14 -5.909 -18.017 6.510 126 HZ2 LYS 14 HZ2 LYS 14 -7.292 -18.881 6.039 127 HZ3 LYS 14 HZ3 LYS 14 -7.422 -17.619 7.167 128 H ASP 15 H ASP 15 -10.537 -15.276 8.479 129 HA ASP 15 HA ASP 15 -10.464 -17.852 9.798 130 HB2 ASP 15 HB2 ASP 15 -8.918 -15.352 9.863 131 HB3 ASP 15 HB3 ASP 15 -9.092 -16.137 11.426 132 H GLN 16 H GLN 16 -12.290 -14.986 9.950 133 HA GLN 16 HA GLN 16 -13.178 -15.345 12.676 134 HB2 GLN 16 HB2 GLN 16 -14.521 -13.745 10.489 135 HB3 GLN 16 HB3 GLN 16 -14.784 -13.599 12.221 136 HG2 GLN 16 HG2 GLN 16 -12.265 -13.019 12.250 137 HG3 GLN 16 HG3 GLN 16 -12.512 -12.689 10.545 138 HE21 GLN 16 HE21 GLN 16 -12.195 -10.534 10.703 139 HE22 GLN 16 HE22 GLN 16 -13.301 -9.455 11.479 140 H GLY 17 H GLY 17 -13.984 -16.436 9.530 141 HA2 GLY 17 HA2 GLY 17 -15.392 -18.431 9.364 142 HA3 GLY 17 HA3 GLY 17 -16.426 -17.703 10.588 143 H CYS 18 H CYS 18 -15.025 -15.755 8.060 144 HA CYS 18 HA CYS 18 -17.625 -15.844 6.643 145 HB2 CYS 18 HB2 CYS 18 -16.861 -13.639 7.845 146 HB3 CYS 18 HB3 CYS 18 -15.774 -13.477 6.468 147 H GLU 19 H GLU 19 -17.524 -16.459 4.524 148 HA GLU 19 HA GLU 19 -14.921 -16.075 3.165 149 HB2 GLU 19 HB2 GLU 19 -15.287 -18.010 1.830 150 HB3 GLU 19 HB3 GLU 19 -15.614 -18.485 3.491 151 HG2 GLU 19 HG2 GLU 19 -17.727 -17.745 1.484 152 HG3 GLU 19 HG3 GLU 19 -17.225 -19.392 1.849 153 H ASP 20 H ASP 20 -17.872 -14.860 3.456 154 HA ASP 20 HA ASP 20 -18.507 -14.573 0.643 155 HB2 ASP 20 HB2 ASP 20 -20.272 -15.267 2.266 156 HB3 ASP 20 HB3 ASP 20 -20.106 -13.706 3.063 157 H PHE 21 H PHE 21 -16.777 -13.157 0.179 158 HA PHE 21 HA PHE 21 -17.574 -10.417 0.275 159 HB2 PHE 21 HB2 PHE 21 -15.274 -9.691 1.248 160 HB3 PHE 21 HB3 PHE 21 -16.562 -10.157 2.349 161 HD1 PHE 21 HD1 PHE 21 -13.400 -11.299 0.791 162 HD2 PHE 21 HD2 PHE 21 -16.327 -11.970 3.806 163 HE1 PHE 21 HE1 PHE 21 -11.914 -12.939 1.866 164 HE2 PHE 21 HE2 PHE 21 -14.859 -13.616 4.870 165 HZ PHE 21 HZ PHE 21 -12.641 -14.102 3.923 166 H GLY 22 H GLY 22 -16.128 -9.005 -0.966 167 HA2 GLY 22 HA2 GLY 22 -13.959 -9.991 -2.480 168 HA3 GLY 22 HA3 GLY 22 -15.433 -10.122 -3.431 169 H THR 23 H THR 23 -13.868 -8.564 -4.687 170 HA THR 23 HA THR 23 -14.549 -5.809 -3.867 171 HB THR 23 HB THR 23 -12.423 -5.157 -5.137 172 HG1 THR 23 HG1 THR 23 -11.042 -7.377 -4.613 173 HG21 THR 23 HG21 THR 23 -12.575 -5.020 -2.711 174 HG22 THR 23 HG22 THR 23 -10.976 -5.588 -3.192 175 HG23 THR 23 HG23 THR 23 -12.169 -6.730 -2.570 176 H LYS 24 H LYS 24 -15.244 -4.402 -5.471 177 HA LYS 24 HA LYS 24 -15.409 -5.511 -8.194 178 HB2 LYS 24 HB2 LYS 24 -17.576 -4.534 -8.530 179 HB3 LYS 24 HB3 LYS 24 -17.642 -5.496 -7.062 180 HG2 LYS 24 HG2 LYS 24 -17.726 -3.605 -5.688 181 HG3 LYS 24 HG3 LYS 24 -17.159 -2.537 -6.974 182 HD2 LYS 24 HD2 LYS 24 -19.235 -2.830 -8.180 183 HD3 LYS 24 HD3 LYS 24 -19.803 -3.989 -6.978 184 HE2 LYS 24 HE2 LYS 24 -19.723 -2.208 -5.274 185 HE3 LYS 24 HE3 LYS 24 -19.230 -1.063 -6.519 186 HZ1 LYS 24 HZ1 LYS 24 -21.754 -2.615 -6.681 187 HZ2 LYS 24 HZ2 LYS 24 -21.309 -1.258 -7.594 188 HZ3 LYS 24 HZ3 LYS 24 -21.665 -1.093 -5.942 189 H CYS 25 H CYS 25 -15.200 -4.038 -9.895 190 HA CYS 25 HA CYS 25 -14.538 -1.279 -9.142 191 HB2 CYS 25 HB2 CYS 25 -12.904 -1.336 -11.120 192 HB3 CYS 25 HB3 CYS 25 -12.411 -2.149 -9.641 193 HG CYS 25 HG CYS 25 -13.740 -3.794 -12.339 194 H VAL 26 H VAL 26 -16.800 -0.986 -9.617 195 HA VAL 26 HA VAL 26 -17.612 -1.331 -12.389 196 HB VAL 26 HB VAL 26 -19.227 -1.952 -10.663 197 HG11 VAL 26 HG11 VAL 26 -20.258 -0.269 -9.218 198 HG12 VAL 26 HG12 VAL 26 -19.138 0.945 -9.834 199 HG13 VAL 26 HG13 VAL 26 -18.530 -0.424 -8.904 200 HG21 VAL 26 HG21 VAL 26 -21.160 -0.659 -11.462 201 HG22 VAL 26 HG22 VAL 26 -20.104 -1.161 -12.783 202 HG23 VAL 26 HG23 VAL 26 -20.061 0.503 -12.203 203 H ILE 27 H ILE 27 -17.711 0.279 -13.836 204 HA ILE 27 HA ILE 27 -16.536 2.792 -13.107 205 HB ILE 27 HB ILE 27 -17.587 1.757 -15.734 206 HG12 ILE 27 HG12 ILE 27 -14.796 2.373 -14.736 207 HG13 ILE 27 HG13 ILE 27 -15.487 0.763 -14.929 208 HG21 ILE 27 HG21 ILE 27 -16.261 4.403 -15.151 209 HG22 ILE 27 HG22 ILE 27 -17.942 4.167 -15.634 210 HG23 ILE 27 HG23 ILE 27 -16.637 3.774 -16.757 211 HD11 ILE 27 HD11 ILE 27 -14.983 2.738 -17.140 212 HD12 ILE 27 HD12 ILE 27 -15.643 1.113 -17.331 213 HD13 ILE 27 HD13 ILE 27 -13.989 1.333 -16.759 214 H GLU 28 H GLU 28 -17.532 4.545 -12.523 215 HA GLU 28 HA GLU 28 -20.346 4.904 -13.297 216 HB2 GLU 28 HB2 GLU 28 -18.890 5.838 -10.821 217 HB3 GLU 28 HB3 GLU 28 -20.425 6.529 -11.329 218 HG2 GLU 28 HG2 GLU 28 -21.265 4.089 -11.312 219 HG3 GLU 28 HG3 GLU 28 -19.835 3.775 -10.329 220 H GLU 29 H GLU 29 -20.219 6.062 -15.091 221 HA GLU 29 HA GLU 29 -18.152 8.033 -15.464 222 HB2 GLU 29 HB2 GLU 29 -19.182 8.394 -17.680 223 HB3 GLU 29 HB3 GLU 29 -18.824 6.702 -17.378 224 HG2 GLU 29 HG2 GLU 29 -21.560 7.838 -16.917 225 HG3 GLU 29 HG3 GLU 29 -21.036 7.288 -18.506 226 H VAL 30 H VAL 30 -18.284 10.140 -15.101 227 HA VAL 30 HA VAL 30 -20.835 11.250 -14.218 228 HB VAL 30 HB VAL 30 -18.077 12.504 -14.218 229 HG11 VAL 30 HG11 VAL 30 -20.641 13.440 -12.932 230 HG12 VAL 30 HG12 VAL 30 -19.853 14.173 -14.329 231 HG13 VAL 30 HG13 VAL 30 -19.058 14.198 -12.755 232 HG21 VAL 30 HG21 VAL 30 -18.112 12.121 -11.801 233 HG22 VAL 30 HG22 VAL 30 -18.216 10.604 -12.696 234 HG23 VAL 30 HG23 VAL 30 -19.661 11.291 -11.955 235 H LYS 31 H LYS 31 -22.044 11.671 -15.980 236 HA LYS 31 HA LYS 31 -20.869 12.616 -18.418 237 HB2 LYS 31 HB2 LYS 31 -22.998 12.464 -19.382 238 HB3 LYS 31 HB3 LYS 31 -22.982 11.164 -18.201 239 HG2 LYS 31 HG2 LYS 31 -24.325 12.431 -16.687 240 HG3 LYS 31 HG3 LYS 31 -24.190 13.872 -17.699 241 HD2 LYS 31 HD2 LYS 31 -25.242 12.360 -19.534 242 HD3 LYS 31 HD3 LYS 31 -25.757 11.366 -18.170 243 HE2 LYS 31 HE2 LYS 31 -27.485 12.973 -18.828 244 HE3 LYS 31 HE3 LYS 31 -26.902 13.277 -17.190 245 HZ1 LYS 31 HZ1 LYS 31 -25.991 14.735 -19.619 246 HZ2 LYS 31 HZ2 LYS 31 -25.532 15.059 -18.021 247 HZ3 LYS 31 HZ3 LYS 31 -27.131 15.319 -18.506 248 H SER 32 H SER 32 -21.579 14.639 -19.456 249 HA SER 32 HA SER 32 -21.527 16.762 -17.430 250 HB2 SER 32 HB2 SER 32 -19.552 16.551 -18.965 251 HB3 SER 32 HB3 SER 32 -20.623 16.901 -20.321 252 HG SER 32 HG SER 32 -19.349 18.668 -19.059 253 H SER 33 H SER 33 -22.168 18.898 -18.974 254 HA SER 33 HA SER 33 -24.818 18.315 -20.104 255 HB2 SER 33 HB2 SER 33 -24.831 19.336 -17.744 256 HB3 SER 33 HB3 SER 33 -24.190 20.795 -18.493 257 HG SER 33 HG SER 33 -26.547 20.655 -18.240 258 H HIS 34 H HIS 34 -22.065 18.732 -21.148 259 HA HIS 34 HA HIS 34 -21.804 21.285 -22.323 260 HB2 HIS 34 HB2 HIS 34 -20.665 18.600 -23.118 261 HB3 HIS 34 HB3 HIS 34 -20.235 20.108 -23.915 262 HD1 HIS 34 HD1 HIS 34 -18.153 18.310 -22.392 263 HD2 HIS 34 HD2 HIS 34 -20.066 21.662 -20.832 264 HE1 HIS 34 HE1 HIS 34 -16.668 19.184 -20.544 265 H LYS 35 H LYS 35 -22.074 21.899 -24.518 266 HA LYS 35 HA LYS 35 -24.302 20.597 -25.866 267 HB2 LYS 35 HB2 LYS 35 -22.703 23.027 -26.689 268 HB3 LYS 35 HB3 LYS 35 -24.186 22.456 -27.439 269 HG2 LYS 35 HG2 LYS 35 -25.455 22.988 -25.473 270 HG3 LYS 35 HG3 LYS 35 -23.984 23.393 -24.585 271 HD2 LYS 35 HD2 LYS 35 -24.966 24.827 -27.053 272 HD3 LYS 35 HD3 LYS 35 -25.196 25.391 -25.395 273 HE2 LYS 35 HE2 LYS 35 -22.800 25.543 -25.083 274 HE3 LYS 35 HE3 LYS 35 -22.522 24.878 -26.692 275 HZ1 LYS 35 HZ1 LYS 35 -22.295 27.312 -26.580 276 HZ2 LYS 35 HZ2 LYS 35 -23.933 27.440 -26.157 277 HZ3 LYS 35 HZ3 LYS 35 -23.494 26.818 -27.672 278 H THR 36 H THR 36 -23.504 18.706 -26.619 279 HA THR 36 HA THR 36 -20.863 18.504 -27.715 280 HB THR 36 HB THR 36 -21.881 16.688 -26.374 281 HG1 THR 36 HG1 THR 36 -21.365 14.983 -27.960 282 HG21 THR 36 HG21 THR 36 -23.601 15.278 -27.296 283 HG22 THR 36 HG22 THR 36 -23.636 16.232 -28.780 284 HG23 THR 36 HG23 THR 36 -24.181 16.948 -27.259 285 H LEU 37 H LEU 37 -20.555 17.358 -29.847 286 HA LEU 37 HA LEU 37 -22.192 18.763 -31.839 287 HB2 LEU 37 HB2 LEU 37 -19.405 17.635 -32.096 288 HB3 LEU 37 HB3 LEU 37 -20.259 18.545 -33.326 289 HG LEU 37 HG LEU 37 -19.385 19.617 -30.641 290 HD11 LEU 37 HD11 LEU 37 -18.319 20.114 -33.415 291 HD12 LEU 37 HD12 LEU 37 -17.499 19.248 -32.116 292 HD13 LEU 37 HD13 LEU 37 -17.824 20.973 -31.957 293 HD21 LEU 37 HD21 LEU 37 -20.104 21.779 -31.477 294 HD22 LEU 37 HD22 LEU 37 -21.455 20.645 -31.458 295 HD23 LEU 37 HD23 LEU 37 -20.653 21.034 -32.979 296 H LEU 38 H LEU 38 -22.132 15.849 -30.482 297 HA LEU 38 HA LEU 38 -23.106 14.558 -32.916 298 HB2 LEU 38 HB2 LEU 38 -21.896 12.534 -32.560 299 HB3 LEU 38 HB3 LEU 38 -20.744 13.848 -32.579 300 HG LEU 38 HG LEU 38 -21.757 12.690 -29.989 301 HD11 LEU 38 HD11 LEU 38 -19.364 11.805 -31.591 302 HD12 LEU 38 HD12 LEU 38 -20.832 10.866 -31.321 303 HD13 LEU 38 HD13 LEU 38 -19.781 11.270 -29.964 304 HD21 LEU 38 HD21 LEU 38 -20.578 14.887 -30.015 305 HD22 LEU 38 HD22 LEU 38 -19.160 14.053 -30.660 306 HD23 LEU 38 HD23 LEU 38 -19.786 13.633 -29.061 307 H ASN 39 H ASN 39 -23.591 12.062 -31.822 308 HA ASN 39 HA ASN 39 -26.072 12.164 -30.733 309 HB2 ASN 39 HB2 ASN 39 -24.968 10.124 -31.530 310 HB3 ASN 39 HB3 ASN 39 -23.913 10.140 -30.116 311 HD21 ASN 39 HD21 ASN 39 -27.136 9.616 -31.290 312 HD22 ASN 39 HD22 ASN 39 -27.732 8.780 -29.891 313 H THR 40 H THR 40 -23.271 11.370 -28.704 314 HA THR 40 HA THR 40 -24.438 12.964 -26.518 315 HB THR 40 HB THR 40 -23.265 11.274 -24.991 316 HG1 THR 40 HG1 THR 40 -22.098 9.918 -26.153 317 HG21 THR 40 HG21 THR 40 -25.155 9.678 -25.073 318 HG22 THR 40 HG22 THR 40 -25.650 10.379 -26.614 319 HG23 THR 40 HG23 THR 40 -25.683 11.359 -25.149 320 H GLU 41 H GLU 41 -22.435 13.093 -24.747 321 HA GLU 41 HA GLU 41 -20.194 14.215 -26.121 322 HB2 GLU 41 HB2 GLU 41 -20.388 13.333 -23.222 323 HB3 GLU 41 HB3 GLU 41 -19.126 14.344 -23.907 324 HG2 GLU 41 HG2 GLU 41 -20.438 15.922 -22.923 325 HG3 GLU 41 HG3 GLU 41 -21.143 15.893 -24.537 326 H LEU 42 H LEU 42 -19.352 12.752 -27.485 327 HA LEU 42 HA LEU 42 -18.956 10.151 -27.543 328 HB2 LEU 42 HB2 LEU 42 -18.014 11.937 -29.087 329 HB3 LEU 42 HB3 LEU 42 -16.619 11.988 -28.032 330 HG LEU 42 HG LEU 42 -17.480 9.427 -29.363 331 HD11 LEU 42 HD11 LEU 42 -15.889 9.922 -31.148 332 HD12 LEU 42 HD12 LEU 42 -15.607 11.522 -30.461 333 HD13 LEU 42 HD13 LEU 42 -17.194 11.107 -31.109 334 HD21 LEU 42 HD21 LEU 42 -15.129 8.834 -29.075 335 HD22 LEU 42 HD22 LEU 42 -15.864 9.252 -27.527 336 HD23 LEU 42 HD23 LEU 42 -14.811 10.407 -28.344 337 H HIS 43 H HIS 43 -16.558 12.187 -25.836 338 HA HIS 43 HA HIS 43 -16.121 9.910 -24.037 339 HB2 HIS 43 HB2 HIS 43 -13.765 10.436 -23.870 340 HB3 HIS 43 HB3 HIS 43 -14.175 10.219 -25.567 341 HD1 HIS 43 HD1 HIS 43 -12.323 12.416 -23.433 342 HD2 HIS 43 HD2 HIS 43 -14.672 12.901 -26.830 343 HE1 HIS 43 HE1 HIS 43 -11.683 14.653 -24.431 344 H LEU 44 H LEU 44 -16.171 10.355 -21.905 345 HA LEU 44 HA LEU 44 -16.106 13.152 -21.074 346 HB2 LEU 44 HB2 LEU 44 -17.985 12.596 -19.448 347 HB3 LEU 44 HB3 LEU 44 -18.407 12.867 -21.125 348 HG LEU 44 HG LEU 44 -18.496 10.374 -21.428 349 HD11 LEU 44 HD11 LEU 44 -18.737 8.987 -19.431 350 HD12 LEU 44 HD12 LEU 44 -18.329 10.371 -18.418 351 HD13 LEU 44 HD13 LEU 44 -17.127 9.702 -19.520 352 HD21 LEU 44 HD21 LEU 44 -20.678 10.177 -20.347 353 HD22 LEU 44 HD22 LEU 44 -20.478 11.740 -21.143 354 HD23 LEU 44 HD23 LEU 44 -20.323 11.617 -19.390 355 H THR 45 H THR 45 -16.242 13.121 -18.519 356 HA THR 45 HA THR 45 -13.922 11.613 -17.711 357 HB THR 45 HB THR 45 -15.605 13.426 -16.000 358 HG1 THR 45 HG1 THR 45 -13.807 14.004 -18.087 359 HG21 THR 45 HG21 THR 45 -13.441 13.832 -14.862 360 HG22 THR 45 HG22 THR 45 -12.683 12.650 -15.930 361 HG23 THR 45 HG23 THR 45 -13.933 12.140 -14.795 362 H LYS 46 H LYS 46 -14.310 9.548 -17.292 363 HA LYS 46 HA LYS 46 -16.613 8.879 -15.616 364 HB2 LYS 46 HB2 LYS 46 -16.958 7.034 -16.841 365 HB3 LYS 46 HB3 LYS 46 -15.909 7.801 -18.022 366 HG2 LYS 46 HG2 LYS 46 -14.869 5.978 -15.883 367 HG3 LYS 46 HG3 LYS 46 -15.424 5.397 -17.451 368 HD2 LYS 46 HD2 LYS 46 -13.734 6.606 -18.589 369 HD3 LYS 46 HD3 LYS 46 -13.308 7.506 -17.126 370 HE2 LYS 46 HE2 LYS 46 -12.433 5.590 -16.091 371 HE3 LYS 46 HE3 LYS 46 -13.091 4.522 -17.330 372 HZ1 LYS 46 HZ1 LYS 46 -10.944 6.539 -17.730 373 HZ2 LYS 46 HZ2 LYS 46 -11.590 5.549 -18.943 374 HZ3 LYS 46 HZ3 LYS 46 -10.723 4.859 -17.659 375 H TYR 47 H TYR 47 -16.305 7.316 -13.905 376 HA TYR 47 HA TYR 47 -13.571 7.457 -12.853 377 HB2 TYR 47 HB2 TYR 47 -16.162 8.096 -11.462 378 HB3 TYR 47 HB3 TYR 47 -14.698 7.698 -10.569 379 HD1 TYR 47 HD2 TYR 47 -16.208 10.143 -12.898 380 HD2 TYR 47 HD1 TYR 47 -12.954 9.273 -10.305 381 HE1 TYR 47 HE2 TYR 47 -15.454 12.475 -13.071 382 HE2 TYR 47 HE1 TYR 47 -12.187 11.601 -10.473 383 HH TYR 47 HH TYR 47 -14.105 14.080 -11.904 384 H TYR 48 H TYR 48 -12.878 5.843 -11.575 385 HA TYR 48 HA TYR 48 -14.181 3.293 -11.912 386 HB2 TYR 48 HB2 TYR 48 -11.514 4.241 -11.011 387 HB3 TYR 48 HB3 TYR 48 -12.075 2.710 -10.348 388 HD1 TYR 48 HD2 TYR 48 -13.011 3.789 -13.734 389 HD2 TYR 48 HD1 TYR 48 -10.337 1.445 -11.407 390 HE1 TYR 48 HE2 TYR 48 -12.283 2.612 -15.768 391 HE2 TYR 48 HE1 TYR 48 -9.604 0.259 -13.425 392 HH TYR 48 HH TYR 48 -10.561 1.274 -16.620 393 H GLY 49 H GLY 49 -15.845 2.894 -10.618 394 HA2 GLY 49 HA2 GLY 49 -15.865 3.819 -7.871 395 HA3 GLY 49 HA3 GLY 49 -17.137 2.913 -8.685 396 H PHE 50 H PHE 50 -13.822 2.559 -7.470 397 HA PHE 50 HA PHE 50 -13.969 -0.272 -7.214 398 HB2 PHE 50 HB2 PHE 50 -12.062 1.843 -6.492 399 HB3 PHE 50 HB3 PHE 50 -12.082 0.484 -5.375 400 HD1 PHE 50 HD2 PHE 50 -11.642 -1.810 -6.230 401 HD2 PHE 50 HD1 PHE 50 -11.074 1.662 -8.625 402 HE1 PHE 50 HE2 PHE 50 -10.221 -3.106 -7.766 403 HE2 PHE 50 HE1 PHE 50 -9.663 0.374 -10.158 404 HZ PHE 50 HZ PHE 50 -9.227 -2.011 -9.732 405 H SER 51 H SER 51 -15.073 -1.390 -5.755 406 HA SER 51 HA SER 51 -15.514 -0.190 -3.131 407 HB2 SER 51 HB2 SER 51 -17.431 0.339 -4.723 408 HB3 SER 51 HB3 SER 51 -17.800 -1.385 -4.692 409 HG SER 51 HG SER 51 -17.450 -0.152 -2.230 410 H PHE 52 H PHE 52 -15.698 -1.635 -1.483 411 HA PHE 52 HA PHE 52 -15.112 -4.414 -2.158 412 HB2 PHE 52 HB2 PHE 52 -13.646 -3.327 -0.488 413 HB3 PHE 52 HB3 PHE 52 -15.054 -3.022 0.530 414 HD1 PHE 52 HD1 PHE 52 -12.794 -5.591 -0.768 415 HD2 PHE 52 HD2 PHE 52 -16.119 -4.783 1.756 416 HE1 PHE 52 HE1 PHE 52 -12.564 -7.820 0.244 417 HE2 PHE 52 HE2 PHE 52 -15.895 -7.004 2.777 418 HZ PHE 52 HZ PHE 52 -14.121 -8.528 2.017 419 H PHE 53 H PHE 53 -16.561 -5.937 -2.016 420 HA PHE 53 HA PHE 53 -19.178 -5.348 -0.828 421 HB2 PHE 53 HB2 PHE 53 -18.265 -6.843 -3.154 422 HB3 PHE 53 HB3 PHE 53 -19.368 -7.775 -2.153 423 HD1 PHE 53 HD1 PHE 53 -21.620 -6.834 -1.638 424 HD2 PHE 53 HD2 PHE 53 -19.035 -5.131 -4.552 425 HE1 PHE 53 HE1 PHE 53 -23.538 -5.670 -2.651 426 HE2 PHE 53 HE2 PHE 53 -20.943 -3.965 -5.571 427 HZ PHE 53 HZ PHE 53 -23.199 -4.230 -4.620 428 H ARG 54 H ARG 54 -19.925 -6.449 0.837 429 HA ARG 54 HA ARG 54 -18.967 -9.135 1.373 430 HB2 ARG 54 HB2 ARG 54 -17.482 -7.876 2.798 431 HB3 ARG 54 HB3 ARG 54 -18.828 -6.946 3.451 432 HG2 ARG 54 HG2 ARG 54 -19.743 -8.922 4.489 433 HG3 ARG 54 HG3 ARG 54 -18.484 -9.919 3.762 434 HD2 ARG 54 HD2 ARG 54 -16.871 -9.168 5.202 435 HD3 ARG 54 HD3 ARG 54 -17.670 -7.614 5.454 436 HE ARG 54 HE ARG 54 -19.369 -8.964 6.722 437 HH11 ARG 54 1HH1 ARG 54 -16.115 -10.105 6.432 438 HH12 ARG 54 2HH1 ARG 54 -16.048 -10.751 8.038 439 HH21 ARG 54 1HH2 ARG 54 -19.330 -9.841 8.841 440 HH22 ARG 54 2HH2 ARG 54 -17.887 -10.605 9.419 441 H HIS 55 H HIS 55 -20.659 -10.405 1.891 442 HA HIS 55 HA HIS 55 -22.826 -11.051 2.072 443 HB2 HIS 55 HB2 HIS 55 -22.504 -9.018 4.229 444 HB3 HIS 55 HB3 HIS 55 -24.102 -9.698 3.929 445 HD1 HIS 55 HD1 HIS 55 -24.566 -11.951 4.956 446 HD2 HIS 55 HD2 HIS 55 -20.513 -11.031 4.838 447 HE1 HIS 55 HE1 HIS 55 -23.375 -13.810 6.196 448 H GLY 56 H GLY 56 -22.325 -9.123 0.004 449 HA2 GLY 56 HA2 GLY 56 -23.621 -8.067 -1.575 450 HA3 GLY 56 HA3 GLY 56 -25.030 -8.446 -0.597 451 H ASN 57 H ASN 57 -22.715 -6.843 1.246 452 HA ASN 57 HA ASN 57 -24.056 -4.261 0.766 453 HB2 ASN 57 HB2 ASN 57 -22.543 -4.991 3.278 454 HB3 ASN 57 HB3 ASN 57 -23.623 -3.626 3.026 455 HD21 ASN 57 HD21 ASN 57 -23.321 -6.890 3.876 456 HD22 ASN 57 HD22 ASN 57 -24.990 -7.203 4.219 457 H ILE 58 H ILE 58 -22.559 -2.419 1.548 458 HA ILE 58 HA ILE 58 -19.981 -2.813 0.195 459 HB ILE 58 HB ILE 58 -21.672 -0.335 0.512 460 HG12 ILE 58 HG12 ILE 58 -22.283 -1.984 -1.240 461 HG13 ILE 58 HG13 ILE 58 -21.822 -0.418 -1.901 462 HG21 ILE 58 HG21 ILE 58 -18.908 -0.560 -0.676 463 HG22 ILE 58 HG22 ILE 58 -19.327 0.265 0.826 464 HG23 ILE 58 HG23 ILE 58 -19.935 0.873 -0.715 465 HD11 ILE 58 HD11 ILE 58 -20.078 -2.867 -1.777 466 HD12 ILE 58 HD12 ILE 58 -19.634 -1.308 -2.479 467 HD13 ILE 58 HD13 ILE 58 -20.925 -2.270 -3.204 468 H VAL 59 H VAL 59 -18.342 -2.964 1.499 469 HA VAL 59 HA VAL 59 -18.439 -1.686 4.128 470 HB VAL 59 HB VAL 59 -16.324 -3.526 2.995 471 HG11 VAL 59 HG11 VAL 59 -15.325 -2.151 4.648 472 HG12 VAL 59 HG12 VAL 59 -15.657 -3.704 5.419 473 HG13 VAL 59 HG13 VAL 59 -16.708 -2.323 5.725 474 HG21 VAL 59 HG21 VAL 59 -18.397 -4.731 3.296 475 HG22 VAL 59 HG22 VAL 59 -18.577 -4.076 4.924 476 HG23 VAL 59 HG23 VAL 59 -17.259 -5.194 4.565 477 H ALA 60 H ALA 60 -16.665 -1.598 1.091 478 HA ALA 60 HA ALA 60 -15.464 0.958 1.957 479 HB1 ALA 60 1HB ALA 60 -13.727 -0.750 2.102 480 HB2 ALA 60 HB2 ALA 60 -13.383 0.397 0.804 481 HB3 ALA 60 HB3 ALA 60 -14.022 -1.204 0.422 482 H TYR 61 H TYR 61 -15.549 2.575 0.466 483 HA TYR 61 HA TYR 61 -15.868 1.809 -2.343 484 HB2 TYR 61 HB2 TYR 61 -18.116 2.416 -1.416 485 HB3 TYR 61 HB3 TYR 61 -17.492 4.027 -1.077 486 HD1 TYR 61 HD1 TYR 61 -18.412 1.662 -3.732 487 HD2 TYR 61 HD2 TYR 61 -17.163 5.628 -2.853 488 HE1 TYR 61 HE1 TYR 61 -18.940 2.326 -6.036 489 HE2 TYR 61 HE2 TYR 61 -17.691 6.310 -5.156 490 HH TYR 61 HH TYR 61 -19.502 4.415 -7.294 491 H GLY 62 H GLY 62 -14.633 2.944 -3.703 492 HA2 GLY 62 HA2 GLY 62 -13.605 5.563 -2.896 493 HA3 GLY 62 HA3 GLY 62 -12.439 4.299 -3.264 494 H LYS 63 H LYS 63 -14.247 6.803 -4.523 495 HA LYS 63 HA LYS 63 -14.213 5.712 -7.247 496 HB2 LYS 63 HB2 LYS 63 -16.351 6.611 -6.342 497 HB3 LYS 63 HB3 LYS 63 -15.584 8.184 -6.176 498 HG2 LYS 63 HG2 LYS 63 -15.189 8.164 -8.640 499 HG3 LYS 63 HG3 LYS 63 -16.167 6.696 -8.722 500 HD2 LYS 63 HD2 LYS 63 -17.071 9.371 -7.664 501 HD3 LYS 63 HD3 LYS 63 -17.501 8.682 -9.232 502 HE2 LYS 63 HE2 LYS 63 -18.659 6.857 -8.150 503 HE3 LYS 63 HE3 LYS 63 -18.139 7.425 -6.566 504 HZ1 LYS 63 HZ1 LYS 63 -20.384 8.091 -6.931 505 HZ2 LYS 63 HZ2 LYS 63 -20.009 8.796 -8.423 506 HZ3 LYS 63 HZ3 LYS 63 -19.418 9.483 -6.987 507 H SER 64 H SER 64 -12.540 6.278 -8.485 508 HA SER 64 HA SER 64 -11.590 9.017 -8.444 509 HB2 SER 64 HB2 SER 64 -10.175 7.932 -6.752 510 HB3 SER 64 HB3 SER 64 -9.703 6.706 -7.929 511 HG SER 64 HG SER 64 -8.451 8.907 -7.489 512 H ARG 65 H ARG 65 -9.895 9.335 -10.170 513 HA ARG 65 HA ARG 65 -10.832 8.055 -12.597 514 HB2 ARG 65 HB2 ARG 65 -9.412 9.749 -13.728 515 HB3 ARG 65 HB3 ARG 65 -10.586 10.458 -12.627 516 HG2 ARG 65 HG2 ARG 65 -8.707 10.507 -10.911 517 HG3 ARG 65 HG3 ARG 65 -7.623 10.171 -12.263 518 HD2 ARG 65 HD2 ARG 65 -7.733 12.559 -11.836 519 HD3 ARG 65 HD3 ARG 65 -8.446 12.185 -13.404 520 HE ARG 65 HE ARG 65 -10.587 12.645 -12.516 521 HH11 ARG 65 1HH1 ARG 65 -8.001 13.251 -10.231 522 HH12 ARG 65 2HH1 ARG 65 -8.980 14.224 -9.176 523 HH21 ARG 65 1HH2 ARG 65 -11.882 13.932 -11.135 524 HH22 ARG 65 2HH2 ARG 65 -11.185 14.609 -9.687 525 H LYS 66 H LYS 66 -8.428 7.562 -10.331 526 HA LYS 66 HA LYS 66 -6.722 6.114 -12.249 527 HB2 LYS 66 HB2 LYS 66 -6.101 6.702 -9.352 528 HB3 LYS 66 HB3 LYS 66 -4.994 6.128 -10.583 529 HG2 LYS 66 HG2 LYS 66 -6.298 8.831 -10.667 530 HG3 LYS 66 HG3 LYS 66 -4.737 8.519 -9.907 531 HD2 LYS 66 HD2 LYS 66 -4.392 7.365 -12.342 532 HD3 LYS 66 HD3 LYS 66 -5.454 8.718 -12.745 533 HE2 LYS 66 HE2 LYS 66 -2.811 8.859 -11.300 534 HE3 LYS 66 HE3 LYS 66 -3.142 9.405 -12.941 535 HZ1 LYS 66 HZ1 LYS 66 -4.556 11.120 -12.108 536 HZ2 LYS 66 HZ2 LYS 66 -3.084 11.204 -11.265 537 HZ3 LYS 66 HZ3 LYS 66 -4.445 10.529 -10.521 538 H VAL 67 H VAL 67 -6.837 3.931 -12.254 539 HA VAL 67 HA VAL 67 -8.622 2.434 -10.758 540 HB VAL 67 HB VAL 67 -7.608 1.597 -12.821 541 HG11 VAL 67 HG11 VAL 67 -5.347 2.441 -12.531 542 HG12 VAL 67 HG12 VAL 67 -5.336 0.711 -12.866 543 HG13 VAL 67 HG13 VAL 67 -5.076 1.289 -11.221 544 HG21 VAL 67 HG21 VAL 67 -8.558 -0.110 -11.510 545 HG22 VAL 67 HG22 VAL 67 -7.197 -0.115 -10.390 546 HG23 VAL 67 HG23 VAL 67 -6.988 -0.722 -12.033 547 H ALA 68 H ALA 68 -5.207 3.077 -10.151 548 HA ALA 68 HA ALA 68 -5.025 1.447 -7.831 549 HB1 ALA 68 1HB ALA 68 -2.821 2.426 -7.567 550 HB2 ALA 68 HB2 ALA 68 -3.204 3.650 -8.780 551 HB3 ALA 68 HB3 ALA 68 -3.097 1.951 -9.242 552 H ASN 69 H ASN 69 -5.724 4.869 -8.371 553 HA ASN 69 HA ASN 69 -5.370 5.608 -5.624 554 HB2 ASN 69 HB2 ASN 69 -5.167 7.287 -7.420 555 HB3 ASN 69 HB3 ASN 69 -6.867 7.068 -7.815 556 HD21 ASN 69 HD21 ASN 69 -5.610 7.102 -4.549 557 HD22 ASN 69 HD22 ASN 69 -6.347 8.590 -4.084 558 H ALA 70 H ALA 70 -8.166 4.983 -7.697 559 HA ALA 70 HA ALA 70 -10.202 5.279 -5.810 560 HB1 ALA 70 1HB ALA 70 -11.472 3.744 -7.278 561 HB2 ALA 70 HB2 ALA 70 -9.973 3.365 -8.134 562 HB3 ALA 70 HB3 ALA 70 -10.630 5.005 -8.181 563 H LYS 71 H LYS 71 -8.339 2.473 -6.756 564 HA LYS 71 HA LYS 71 -9.340 0.564 -4.996 565 HB2 LYS 71 HB2 LYS 71 -7.718 0.460 -7.027 566 HB3 LYS 71 HB3 LYS 71 -6.466 0.736 -5.832 567 HG2 LYS 71 HG2 LYS 71 -6.763 -1.330 -4.855 568 HG3 LYS 71 HG3 LYS 71 -8.401 -1.509 -5.498 569 HD2 LYS 71 HD2 LYS 71 -6.730 -2.927 -6.676 570 HD3 LYS 71 HD3 LYS 71 -7.556 -1.782 -7.735 571 HE2 LYS 71 HE2 LYS 71 -5.665 -0.291 -7.657 572 HE3 LYS 71 HE3 LYS 71 -4.828 -1.369 -6.537 573 HZ1 LYS 71 HZ1 LYS 71 -5.692 -2.224 -9.244 574 HZ2 LYS 71 HZ2 LYS 71 -4.608 -3.009 -8.203 575 HZ3 LYS 71 HZ3 LYS 71 -4.165 -1.551 -8.939 576 H TYR 72 H TYR 72 -6.725 2.903 -4.659 577 HA TYR 72 HA TYR 72 -5.736 2.179 -2.151 578 HB2 TYR 72 HB2 TYR 72 -4.492 3.707 -3.477 579 HB3 TYR 72 HB3 TYR 72 -5.857 4.806 -3.628 580 HD1 TYR 72 HD2 TYR 72 -3.258 3.552 -1.331 581 HD2 TYR 72 HD1 TYR 72 -6.294 6.468 -1.980 582 HE1 TYR 72 HE2 TYR 72 -2.425 4.838 0.589 583 HE2 TYR 72 HE1 TYR 72 -5.465 7.760 -0.061 584 HH TYR 72 HH TYR 72 -4.165 7.343 2.025 585 H ILE 73 H ILE 73 -8.272 4.503 -3.010 586 HA ILE 73 HA ILE 73 -8.826 5.464 -0.452 587 HB ILE 73 HB ILE 73 -10.695 5.153 -2.799 588 HG12 ILE 73 HG12 ILE 73 -9.366 7.691 -1.891 589 HG13 ILE 73 HG13 ILE 73 -8.503 6.554 -2.925 590 HG21 ILE 73 HG21 ILE 73 -10.982 6.826 -0.301 591 HG22 ILE 73 HG22 ILE 73 -11.957 5.420 -0.736 592 HG23 ILE 73 HG23 ILE 73 -12.049 6.893 -1.705 593 HD11 ILE 73 HD11 ILE 73 -10.291 6.730 -4.580 594 HD12 ILE 73 HD12 ILE 73 -9.527 8.284 -4.242 595 HD13 ILE 73 HD13 ILE 73 -11.108 7.910 -3.554 596 H MET 74 H MET 74 -10.518 2.880 -2.261 597 HA MET 74 HA MET 74 -12.209 2.159 -0.140 598 HB2 MET 74 HB2 MET 74 -12.632 0.082 -1.336 599 HB3 MET 74 HB3 MET 74 -12.618 1.436 -2.460 600 HG2 MET 74 HG2 MET 74 -10.612 0.799 -3.398 601 HG3 MET 74 HG3 MET 74 -10.156 -0.174 -2.002 602 HE1 MET 74 HE1 MET 74 -9.332 -1.937 -3.735 603 HE2 MET 74 HE2 MET 74 -10.380 -3.360 -3.737 604 HE3 MET 74 HE3 MET 74 -9.993 -2.548 -2.218 605 H LYS 75 H LYS 75 -8.930 1.089 -0.995 606 HA LYS 75 HA LYS 75 -8.654 -0.990 0.832 607 HB2 LYS 75 HB2 LYS 75 -6.698 1.006 -0.277 608 HB3 LYS 75 HB3 LYS 75 -6.192 -0.218 0.878 609 HG2 LYS 75 HG2 LYS 75 -6.762 -1.978 -0.600 610 HG3 LYS 75 HG3 LYS 75 -7.583 -0.871 -1.703 611 HD2 LYS 75 HD2 LYS 75 -5.564 0.111 -2.384 612 HD3 LYS 75 HD3 LYS 75 -4.661 -0.625 -1.056 613 HE2 LYS 75 HE2 LYS 75 -5.177 -2.857 -2.064 614 HE3 LYS 75 HE3 LYS 75 -5.858 -2.011 -3.452 615 HZ1 LYS 75 HZ1 LYS 75 -3.531 -2.718 -3.773 616 HZ2 LYS 75 HZ2 LYS 75 -3.059 -1.700 -2.499 617 HZ3 LYS 75 HZ3 LYS 75 -3.729 -1.038 -3.912 618 H GLN 76 H GLN 76 -7.987 2.473 1.294 619 HA GLN 76 HA GLN 76 -7.146 2.368 3.953 620 HB2 GLN 76 HB2 GLN 76 -8.484 4.528 2.340 621 HB3 GLN 76 HB3 GLN 76 -8.008 4.783 4.013 622 HG2 GLN 76 HG2 GLN 76 -6.125 3.938 1.827 623 HG3 GLN 76 HG3 GLN 76 -6.371 5.606 2.345 624 HE21 GLN 76 HE21 GLN 76 -3.970 3.932 2.426 625 HE22 GLN 76 HE22 GLN 76 -3.463 3.918 4.077 626 H ARG 77 H ARG 77 -10.357 2.247 2.601 627 HA ARG 77 HA ARG 77 -11.842 2.951 4.874 628 HB2 ARG 77 HB2 ARG 77 -12.616 0.961 2.736 629 HB3 ARG 77 HB3 ARG 77 -13.712 1.779 3.839 630 HG2 ARG 77 HG2 ARG 77 -12.070 3.048 1.662 631 HG3 ARG 77 HG3 ARG 77 -13.819 2.809 1.673 632 HD2 ARG 77 HD2 ARG 77 -13.936 4.258 3.686 633 HD3 ARG 77 HD3 ARG 77 -12.213 4.573 3.511 634 HE ARG 77 HE ARG 77 -13.642 5.171 1.119 635 HH11 ARG 77 1HH1 ARG 77 -12.860 6.357 4.312 636 HH12 ARG 77 2HH1 ARG 77 -13.104 8.028 3.897 637 HH21 ARG 77 1HH2 ARG 77 -13.972 7.375 0.549 638 HH22 ARG 77 2HH2 ARG 77 -13.730 8.606 1.759 639 H LEU 78 H LEU 78 -11.310 -0.381 3.636 640 HA LEU 78 HA LEU 78 -12.079 -1.570 6.106 641 HB2 LEU 78 HB2 LEU 78 -10.220 -3.018 4.291 642 HB3 LEU 78 HB3 LEU 78 -11.602 -3.613 5.193 643 HG LEU 78 HG LEU 78 -12.856 -2.008 3.419 644 HD11 LEU 78 HD11 LEU 78 -11.851 -2.375 1.224 645 HD12 LEU 78 HD12 LEU 78 -10.455 -3.138 1.987 646 HD13 LEU 78 HD13 LEU 78 -10.787 -1.428 2.263 647 HD21 LEU 78 HD21 LEU 78 -11.991 -4.853 2.996 648 HD22 LEU 78 HD22 LEU 78 -13.357 -4.058 2.211 649 HD23 LEU 78 HD23 LEU 78 -13.367 -4.320 3.954 650 H LEU 79 H LEU 79 -9.025 -0.486 4.803 651 HA LEU 79 HA LEU 79 -7.216 -1.783 6.451 652 HB2 LEU 79 HB2 LEU 79 -6.632 -0.362 4.512 653 HB3 LEU 79 HB3 LEU 79 -7.078 1.058 5.424 654 HG LEU 79 HG LEU 79 -4.585 0.500 5.161 655 HD11 LEU 79 HD11 LEU 79 -4.049 1.372 7.359 656 HD12 LEU 79 HD12 LEU 79 -5.676 0.990 7.922 657 HD13 LEU 79 HD13 LEU 79 -5.440 2.215 6.673 658 HD21 LEU 79 HD21 LEU 79 -4.753 -1.869 5.722 659 HD22 LEU 79 HD22 LEU 79 -5.288 -1.447 7.349 660 HD23 LEU 79 HD23 LEU 79 -3.661 -1.021 6.817 661 H LYS 80 H LYS 80 -8.838 1.334 7.006 662 HA LYS 80 HA LYS 80 -7.804 1.672 9.615 663 HB2 LYS 80 HB2 LYS 80 -9.732 3.029 7.918 664 HB3 LYS 80 HB3 LYS 80 -10.242 3.002 9.601 665 HG2 LYS 80 HG2 LYS 80 -7.618 4.052 8.556 666 HG3 LYS 80 HG3 LYS 80 -8.984 5.017 9.118 667 HD2 LYS 80 HD2 LYS 80 -7.272 3.150 10.763 668 HD3 LYS 80 HD3 LYS 80 -7.313 4.911 10.862 669 HE2 LYS 80 HE2 LYS 80 -9.714 4.739 11.541 670 HE3 LYS 80 HE3 LYS 80 -9.518 2.986 11.588 671 HZ1 LYS 80 HZ1 LYS 80 -9.231 3.766 13.785 672 HZ2 LYS 80 HZ2 LYS 80 -8.186 5.007 13.301 673 HZ3 LYS 80 HZ3 LYS 80 -7.672 3.392 13.224 674 H LEU 81 H LEU 81 -10.532 -0.086 8.348 675 HA LEU 81 HA LEU 81 -11.950 -0.304 10.801 676 HB2 LEU 81 HB2 LEU 81 -12.061 -2.010 8.319 677 HB3 LEU 81 HB3 LEU 81 -13.185 -2.131 9.660 678 HG LEU 81 HG LEU 81 -12.813 0.273 7.872 679 HD11 LEU 81 HD11 LEU 81 -15.060 -0.244 7.090 680 HD12 LEU 81 HD12 LEU 81 -15.093 -1.680 8.113 681 HD13 LEU 81 HD13 LEU 81 -13.951 -1.578 6.772 682 HD21 LEU 81 HD21 LEU 81 -14.733 1.205 9.056 683 HD22 LEU 81 HD22 LEU 81 -13.377 0.930 10.150 684 HD23 LEU 81 HD23 LEU 81 -14.744 -0.185 10.142 685 H LEU 82 H LEU 82 -9.504 -2.316 9.222 686 HA LEU 82 HA LEU 82 -9.709 -4.312 11.293 687 HB2 LEU 82 HB2 LEU 82 -7.701 -5.316 10.183 688 HB3 LEU 82 HB3 LEU 82 -9.133 -5.175 9.187 689 HG LEU 82 HG LEU 82 -7.800 -2.858 8.585 690 HD11 LEU 82 HD11 LEU 82 -5.812 -3.494 9.805 691 HD12 LEU 82 HD12 LEU 82 -5.489 -3.549 8.068 692 HD13 LEU 82 HD13 LEU 82 -5.758 -5.045 8.964 693 HD21 LEU 82 HD21 LEU 82 -8.879 -4.255 6.986 694 HD22 LEU 82 HD22 LEU 82 -7.728 -5.563 7.271 695 HD23 LEU 82 HD23 LEU 82 -7.194 -4.066 6.507 696 H GLU 83 H GLU 83 -7.573 -1.606 10.551 697 HA GLU 83 HA GLU 83 -5.654 -2.127 12.573 698 HB2 GLU 83 HB2 GLU 83 -6.490 0.475 11.277 699 HB3 GLU 83 HB3 GLU 83 -5.100 0.302 12.337 700 HG2 GLU 83 HG2 GLU 83 -5.429 -1.251 9.788 701 HG3 GLU 83 HG3 GLU 83 -4.620 0.313 9.878 702 H ASP 84 H ASP 84 -8.700 -0.417 12.528 703 HA ASP 84 HA ASP 84 -8.398 0.562 15.251 704 HB2 ASP 84 HB2 ASP 84 -9.472 1.829 13.297 705 HB3 ASP 84 HB3 ASP 84 -10.842 0.747 13.491 706 H LYS 85 H LYS 85 -9.605 -2.136 13.612 707 HA LYS 85 HA LYS 85 -10.775 -3.974 14.180 708 HB2 LYS 85 HB2 LYS 85 -10.233 -2.981 16.983 709 HB3 LYS 85 HB3 LYS 85 -10.929 -4.554 16.605 710 HG2 LYS 85 HG2 LYS 85 -8.227 -3.577 15.704 711 HG3 LYS 85 HG3 LYS 85 -8.525 -4.696 17.042 712 HD2 LYS 85 HD2 LYS 85 -9.629 -6.233 15.411 713 HD3 LYS 85 HD3 LYS 85 -9.127 -5.148 14.117 714 HE2 LYS 85 HE2 LYS 85 -7.305 -6.614 16.023 715 HE3 LYS 85 HE3 LYS 85 -7.592 -7.031 14.334 716 HZ1 LYS 85 HZ1 LYS 85 -6.694 -4.793 13.760 717 HZ2 LYS 85 HZ2 LYS 85 -5.559 -5.839 14.463 718 HZ3 LYS 85 HZ3 LYS 85 -6.254 -4.601 15.389 719 H SER 86 H SER 86 -12.242 -1.993 13.276 720 HA SER 86 HA SER 86 -14.514 -1.497 15.016 721 HB2 SER 86 HB2 SER 86 -14.168 -0.757 12.103 722 HB3 SER 86 HB3 SER 86 -15.295 -0.051 13.261 723 HG SER 86 HG SER 86 -13.097 0.356 14.431 724 H ASN 87 H ASN 87 -16.609 -2.264 14.633 725 HA ASN 87 HA ASN 87 -16.636 -4.951 13.594 726 HB2 ASN 87 HB2 ASN 87 -18.902 -5.081 14.465 727 HB3 ASN 87 HB3 ASN 87 -17.823 -4.376 15.655 728 HD21 ASN 87 HD21 ASN 87 -20.425 -3.752 13.431 729 HD22 ASN 87 HD22 ASN 87 -20.897 -2.229 14.104 730 H LEU 88 H LEU 88 -16.760 -2.257 11.910 731 HA LEU 88 HA LEU 88 -19.127 -2.566 10.375 732 HB2 LEU 88 HB2 LEU 88 -16.579 -1.069 9.797 733 HB3 LEU 88 HB3 LEU 88 -17.979 -1.039 8.744 734 HG LEU 88 HG LEU 88 -18.189 0.916 9.971 735 HD11 LEU 88 HD11 LEU 88 -19.781 -1.127 11.506 736 HD12 LEU 88 HD12 LEU 88 -20.253 -0.379 9.979 737 HD13 LEU 88 HD13 LEU 88 -20.107 0.607 11.436 738 HD21 LEU 88 HD21 LEU 88 -17.467 -0.616 12.462 739 HD22 LEU 88 HD22 LEU 88 -17.861 1.101 12.380 740 HD23 LEU 88 HD23 LEU 88 -16.413 0.490 11.582 741 H LEU 89 H LEU 89 -15.805 -3.698 9.974 742 HA LEU 89 HA LEU 89 -16.715 -5.246 7.639 743 HB2 LEU 89 HB2 LEU 89 -14.865 -3.885 7.040 744 HB3 LEU 89 HB3 LEU 89 -13.966 -4.328 8.471 745 HG LEU 89 HG LEU 89 -14.034 -6.719 7.480 746 HD11 LEU 89 HD11 LEU 89 -15.625 -6.327 5.728 747 HD12 LEU 89 HD12 LEU 89 -14.063 -6.778 5.043 748 HD13 LEU 89 HD13 LEU 89 -14.578 -5.098 5.024 749 HD21 LEU 89 HD21 LEU 89 -12.346 -4.554 6.262 750 HD22 LEU 89 HD22 LEU 89 -11.973 -6.278 6.266 751 HD23 LEU 89 HD23 LEU 89 -12.032 -5.382 7.786 752 H LEU 90 H LEU 90 -15.603 -5.411 10.858 753 HA LEU 90 HA LEU 90 -14.821 -8.228 10.624 754 HB2 LEU 90 HB2 LEU 90 -14.330 -6.442 12.984 755 HB3 LEU 90 HB3 LEU 90 -13.449 -7.879 12.496 756 HG LEU 90 HG LEU 90 -13.445 -5.410 10.783 757 HD11 LEU 90 HD11 LEU 90 -11.366 -4.743 11.883 758 HD12 LEU 90 HD12 LEU 90 -11.581 -6.033 13.069 759 HD13 LEU 90 HD13 LEU 90 -12.740 -4.704 12.986 760 HD21 LEU 90 HD21 LEU 90 -11.313 -6.309 10.019 761 HD22 LEU 90 HD22 LEU 90 -12.622 -7.466 9.775 762 HD23 LEU 90 HD23 LEU 90 -11.490 -7.681 11.112 763 H TYR 91 H TYR 91 -17.658 -7.194 10.920 764 HA TYR 91 HA TYR 91 -18.468 -7.799 13.590 765 HB2 TYR 91 HB2 TYR 91 -20.759 -7.628 12.742 766 HB3 TYR 91 HB3 TYR 91 -19.781 -6.269 12.205 767 HD1 TYR 91 HD2 TYR 91 -21.365 -9.437 11.137 768 HD2 TYR 91 HD1 TYR 91 -19.391 -5.873 9.894 769 HE1 TYR 91 HE2 TYR 91 -22.001 -9.899 8.810 770 HE2 TYR 91 HE1 TYR 91 -20.018 -6.333 7.563 771 HH TYR 91 HH TYR 91 -22.361 -8.389 6.655 772 H SER 92 H SER 92 -20.120 -9.465 14.074 773 HA SER 92 HA SER 92 -19.178 -12.042 13.149 774 HB2 SER 92 HB2 SER 92 -21.288 -11.384 15.219 775 HB3 SER 92 HB3 SER 92 -20.529 -12.955 14.961 776 HG SER 92 HG SER 92 -18.526 -11.355 15.299 777 H CYS 93 H CYS 93 -20.272 -13.397 11.870 778 HA CYS 93 HA CYS 93 -23.006 -12.729 11.037 779 HB2 CYS 93 HB2 CYS 93 -22.478 -12.873 8.743 780 HB3 CYS 93 HB3 CYS 93 -21.219 -11.851 9.437 781 H ASN 94 H ASN 94 -23.749 -14.610 9.451 782 HA ASN 94 HA ASN 94 -22.835 -17.130 10.671 783 HB2 ASN 94 HB2 ASN 94 -25.190 -16.578 11.170 784 HB3 ASN 94 HB3 ASN 94 -25.535 -16.533 9.445 785 HD21 ASN 94 HD21 ASN 94 -24.777 -18.569 12.162 786 HD22 ASN 94 HD22 ASN 94 -25.230 -20.063 11.419 787 H CYS 95 H CYS 95 -21.082 -16.882 8.901 788 HA CYS 95 HA CYS 95 -22.082 -18.246 6.524 789 HB2 CYS 95 HB2 CYS 95 -19.368 -17.175 7.264 790 HB3 CYS 95 HB3 CYS 95 -19.616 -18.222 5.866 791 H LYS 96 H LYS 96 -21.331 -18.991 9.595 792 HA LYS 96 HA LYS 96 -21.268 -21.778 9.082 793 HB2 LYS 96 HB2 LYS 96 -19.130 -22.205 10.335 794 HB3 LYS 96 HB3 LYS 96 -18.928 -21.517 8.732 795 HG2 LYS 96 HG2 LYS 96 -18.651 -19.289 9.801 796 HG3 LYS 96 HG3 LYS 96 -18.685 -20.093 11.370 797 HD2 LYS 96 HD2 LYS 96 -16.696 -20.603 9.159 798 HD3 LYS 96 HD3 LYS 96 -16.393 -19.682 10.631 799 HE2 LYS 96 HE2 LYS 96 -16.966 -21.750 11.924 800 HE3 LYS 96 HE3 LYS 96 -16.987 -22.619 10.392 801 HZ1 LYS 96 HZ1 LYS 96 -14.666 -21.181 11.561 802 HZ2 LYS 96 HZ2 LYS 96 -14.675 -21.927 10.039 803 HZ3 LYS 96 HZ3 LYS 96 -14.856 -22.863 11.443 804 H PHE 97 H PHE 97 -20.342 -19.445 11.649 805 HA PHE 97 HA PHE 97 -22.674 -20.000 13.175 806 HB2 PHE 97 HB2 PHE 97 -21.703 -21.093 15.091 807 HB3 PHE 97 HB3 PHE 97 -21.313 -22.053 13.670 808 HD1 PHE 97 HD1 PHE 97 -19.960 -19.699 16.164 809 HD2 PHE 97 HD2 PHE 97 -19.061 -22.406 13.003 810 HE1 PHE 97 HE1 PHE 97 -17.584 -19.622 16.783 811 HE2 PHE 97 HE2 PHE 97 -16.678 -22.330 13.616 812 HZ PHE 97 HZ PHE 97 -15.937 -20.935 15.506 813 H SER 98 H SER 98 -22.670 -18.795 15.239 814 HA SER 98 HA SER 98 -20.632 -17.215 16.240 815 HB2 SER 98 HB2 SER 98 -21.272 -14.948 15.457 816 HB3 SER 98 HB3 SER 98 -20.656 -15.955 14.147 817 HG SER 98 HG SER 98 -22.475 -15.663 13.172 818 H LYS 99 H LYS 99 -21.618 -15.251 17.486 819 HA LYS 99 HA LYS 99 -23.812 -16.426 19.018 820 HB2 LYS 99 HB2 LYS 99 -22.125 -14.068 19.805 821 HB3 LYS 99 HB3 LYS 99 -22.961 -15.216 20.848 822 HG2 LYS 99 HG2 LYS 99 -21.407 -16.924 20.388 823 HG3 LYS 99 HG3 LYS 99 -20.709 -16.030 19.040 824 HD2 LYS 99 HD2 LYS 99 -20.490 -15.380 21.967 825 HD3 LYS 99 HD3 LYS 99 -19.217 -15.941 20.882 826 HE2 LYS 99 HE2 LYS 99 -19.309 -13.893 19.622 827 HE3 LYS 99 HE3 LYS 99 -20.691 -13.333 20.560 828 HZ1 LYS 99 HZ1 LYS 99 -18.451 -12.405 21.189 829 HZ2 LYS 99 HZ2 LYS 99 -18.080 -13.936 21.819 830 HZ3 LYS 99 HZ3 LYS 99 -19.374 -13.046 22.457 831 H LYS 100 H LYS 100 -23.681 -14.438 16.514 832 HA LYS 100 HA LYS 100 -25.343 -12.295 17.580 833 HB2 LYS 100 HB2 LYS 100 -23.501 -11.756 16.021 834 HB3 LYS 100 HB3 LYS 100 -24.276 -12.733 14.787 835 HG2 LYS 100 HG2 LYS 100 -24.797 -10.512 14.248 836 HG3 LYS 100 HG3 LYS 100 -26.260 -11.164 14.982 837 HD2 LYS 100 HD2 LYS 100 -24.285 -9.756 16.717 838 HD3 LYS 100 HD3 LYS 100 -25.322 -8.797 15.665 839 HE2 LYS 100 HE2 LYS 100 -26.343 -10.846 17.621 840 HE3 LYS 100 HE3 LYS 100 -26.189 -9.130 17.987 841 HZ1 LYS 100 HZ1 LYS 100 -27.857 -10.274 15.801 842 HZ2 LYS 100 HZ2 LYS 100 -27.730 -8.630 16.211 843 HZ3 LYS 100 HZ3 LYS 100 -28.440 -9.721 17.295 844 H LYS 101 H LYS 101 -27.484 -12.411 17.534 845 HA LYS 101 HA LYS 101 -28.756 -14.196 15.577 846 HB2 LYS 101 HB2 LYS 101 -29.692 -13.066 18.205 847 HB3 LYS 101 HB3 LYS 101 -30.837 -13.700 17.028 848 HG2 LYS 101 HG2 LYS 101 -30.353 -15.416 18.608 849 HG3 LYS 101 HG3 LYS 101 -29.599 -15.852 17.073 850 HD2 LYS 101 HD2 LYS 101 -27.495 -14.717 18.041 851 HD3 LYS 101 HD3 LYS 101 -28.314 -14.872 19.598 852 HE2 LYS 101 HE2 LYS 101 -26.881 -16.765 19.292 853 HE3 LYS 101 HE3 LYS 101 -28.555 -17.294 19.166 854 HZ1 LYS 101 HZ1 LYS 101 -27.001 -18.223 17.466 855 HZ2 LYS 101 HZ2 LYS 101 -26.888 -16.667 16.802 856 HZ3 LYS 101 HZ3 LYS 101 -28.383 -17.466 16.833 Start of MODEL 16 1 H MET 1 H MET 1 -1.188 -1.854 9.286 2 HA MET 1 HA MET 1 -1.537 -0.442 7.413 3 HB2 MET 1 HB2 MET 1 -0.138 0.410 9.225 4 HB3 MET 1 HB3 MET 1 1.288 -0.297 8.480 5 HG2 MET 1 HG2 MET 1 1.044 1.192 6.572 6 HG3 MET 1 HG3 MET 1 -0.405 1.889 7.294 7 HE1 MET 1 HE1 MET 1 3.811 2.298 9.146 8 HE2 MET 1 HE2 MET 1 3.497 1.453 7.629 9 HE3 MET 1 HE3 MET 1 2.891 0.793 9.149 10 H LYS 2 H LYS 2 1.171 -2.669 6.967 11 HA LYS 2 HA LYS 2 1.557 -1.629 4.246 12 HB2 LYS 2 HB2 LYS 2 3.267 -3.597 5.776 13 HB3 LYS 2 HB3 LYS 2 3.669 -2.832 4.245 14 HG2 LYS 2 HG2 LYS 2 3.302 -1.391 6.864 15 HG3 LYS 2 HG3 LYS 2 4.849 -1.832 6.146 16 HD2 LYS 2 HD2 LYS 2 2.812 -0.051 4.815 17 HD3 LYS 2 HD3 LYS 2 4.170 0.545 5.770 18 HE2 LYS 2 HE2 LYS 2 5.683 -0.722 4.212 19 HE3 LYS 2 HE3 LYS 2 4.268 -1.030 3.207 20 HZ1 LYS 2 HZ1 LYS 2 5.287 1.663 3.941 21 HZ2 LYS 2 HZ2 LYS 2 3.975 1.340 2.912 22 HZ3 LYS 2 HZ3 LYS 2 5.548 0.900 2.449 23 H GLY 3 H GLY 3 1.101 -2.792 2.463 24 HA2 GLY 3 HA2 GLY 3 1.272 -5.045 1.436 25 HA3 GLY 3 HA3 GLY 3 0.358 -5.628 2.818 26 H ASP 4 H ASP 4 -0.682 -6.377 0.574 27 HA ASP 4 HA ASP 4 -2.567 -4.492 -0.512 28 HB2 ASP 4 HB2 ASP 4 -1.857 -6.162 -2.039 29 HB3 ASP 4 HB3 ASP 4 -2.152 -7.458 -0.882 30 H ILE 5 H ILE 5 -4.631 -4.181 0.077 31 HA ILE 5 HA ILE 5 -5.306 -4.935 2.719 32 HB ILE 5 HB ILE 5 -5.980 -2.771 1.538 33 HG12 ILE 5 HG12 ILE 5 -7.988 -2.527 2.851 34 HG13 ILE 5 HG13 ILE 5 -8.229 -4.272 2.893 35 HG21 ILE 5 HG21 ILE 5 -8.178 -4.548 0.487 36 HG22 ILE 5 HG22 ILE 5 -6.912 -3.792 -0.485 37 HG23 ILE 5 HG23 ILE 5 -8.109 -2.791 0.341 38 HD11 ILE 5 HD11 ILE 5 -5.958 -2.784 4.177 39 HD12 ILE 5 HD12 ILE 5 -6.241 -4.525 4.248 40 HD13 ILE 5 HD13 ILE 5 -7.389 -3.412 4.994 41 H GLU 6 H GLU 6 -6.183 -6.234 -0.418 42 HA GLU 6 HA GLU 6 -8.557 -7.535 0.403 43 HB2 GLU 6 HB2 GLU 6 -6.674 -8.132 -1.879 44 HB3 GLU 6 HB3 GLU 6 -8.175 -9.006 -1.611 45 HG2 GLU 6 HG2 GLU 6 -9.367 -6.808 -1.749 46 HG3 GLU 6 HG3 GLU 6 -7.839 -6.093 -2.264 47 H HIS 7 H HIS 7 -5.203 -8.627 0.105 48 HA HIS 7 HA HIS 7 -5.499 -11.202 1.087 49 HB2 HIS 7 HB2 HIS 7 -3.247 -9.218 1.293 50 HB3 HIS 7 HB3 HIS 7 -3.124 -10.812 2.028 51 HD1 HIS 7 HD1 HIS 7 -3.648 -9.249 -1.418 52 HD2 HIS 7 HD2 HIS 7 -2.360 -12.791 0.354 53 HE1 HIS 7 HE1 HIS 7 -2.725 -10.692 -3.281 54 H LYS 8 H LYS 8 -5.082 -8.160 2.880 55 HA LYS 8 HA LYS 8 -4.933 -9.277 5.461 56 HB2 LYS 8 HB2 LYS 8 -6.226 -6.611 4.897 57 HB3 LYS 8 HB3 LYS 8 -5.306 -7.094 6.313 58 HG2 LYS 8 HG2 LYS 8 -4.253 -6.518 3.559 59 HG3 LYS 8 HG3 LYS 8 -4.000 -5.574 5.028 60 HD2 LYS 8 HD2 LYS 8 -2.756 -7.431 6.007 61 HD3 LYS 8 HD3 LYS 8 -3.028 -8.385 4.546 62 HE2 LYS 8 HE2 LYS 8 -1.838 -6.656 3.244 63 HE3 LYS 8 HE3 LYS 8 -1.501 -5.799 4.751 64 HZ1 LYS 8 HZ1 LYS 8 0.366 -7.203 4.000 65 HZ2 LYS 8 HZ2 LYS 8 -0.613 -8.579 4.160 66 HZ3 LYS 8 HZ3 LYS 8 -0.214 -7.661 5.527 67 H VAL 9 H VAL 9 -7.697 -7.853 3.728 68 HA VAL 9 HA VAL 9 -9.670 -8.295 5.614 69 HB VAL 9 HB VAL 9 -9.977 -8.508 2.611 70 HG11 VAL 9 HG11 VAL 9 -11.914 -9.386 3.780 71 HG12 VAL 9 HG12 VAL 9 -12.309 -7.836 3.037 72 HG13 VAL 9 HG13 VAL 9 -12.003 -7.929 4.771 73 HG21 VAL 9 HG21 VAL 9 -10.353 -6.093 4.371 74 HG22 VAL 9 HG22 VAL 9 -10.454 -6.166 2.610 75 HG23 VAL 9 HG23 VAL 9 -8.906 -6.410 3.417 76 H TYR 10 H TYR 10 -8.482 -10.499 3.103 77 HA TYR 10 HA TYR 10 -10.356 -12.551 3.637 78 HB2 TYR 10 HB2 TYR 10 -7.582 -12.836 2.462 79 HB3 TYR 10 HB3 TYR 10 -8.868 -14.026 2.371 80 HD1 TYR 10 HD2 TYR 10 -10.812 -11.361 1.911 81 HD2 TYR 10 HD1 TYR 10 -7.519 -13.217 -0.047 82 HE1 TYR 10 HE2 TYR 10 -11.536 -10.384 -0.227 83 HE2 TYR 10 HE1 TYR 10 -8.234 -12.240 -2.186 84 HH TYR 10 HH TYR 10 -10.399 -9.744 -2.440 85 H GLN 11 H GLN 11 -7.065 -11.918 4.758 86 HA GLN 11 HA GLN 11 -6.452 -14.281 5.982 87 HB2 GLN 11 HB2 GLN 11 -5.693 -11.481 6.727 88 HB3 GLN 11 HB3 GLN 11 -5.039 -12.879 7.569 89 HG2 GLN 11 HG2 GLN 11 -4.658 -12.085 4.701 90 HG3 GLN 11 HG3 GLN 11 -3.440 -12.253 5.963 91 HE21 GLN 11 HE21 GLN 11 -5.413 -13.893 3.651 92 HE22 GLN 11 HE22 GLN 11 -4.648 -15.437 3.776 93 H LEU 12 H LEU 12 -8.028 -11.529 7.534 94 HA LEU 12 HA LEU 12 -8.315 -13.048 9.980 95 HB2 LEU 12 HB2 LEU 12 -9.594 -10.776 10.560 96 HB3 LEU 12 HB3 LEU 12 -7.863 -10.969 10.681 97 HG LEU 12 HG LEU 12 -7.799 -10.027 8.277 98 HD11 LEU 12 HD11 LEU 12 -10.197 -10.182 7.839 99 HD12 LEU 12 HD12 LEU 12 -9.629 -8.516 7.727 100 HD13 LEU 12 HD13 LEU 12 -10.515 -9.050 9.155 101 HD21 LEU 12 HD21 LEU 12 -8.546 -8.297 10.630 102 HD22 LEU 12 HD22 LEU 12 -7.769 -7.738 9.149 103 HD23 LEU 12 HD23 LEU 12 -6.927 -8.863 10.214 104 H LEU 13 H LEU 13 -10.436 -11.761 7.462 105 HA LEU 13 HA LEU 13 -12.836 -12.319 8.829 106 HB2 LEU 13 HB2 LEU 13 -12.228 -11.995 5.915 107 HB3 LEU 13 HB3 LEU 13 -13.847 -12.341 6.495 108 HG LEU 13 HG LEU 13 -12.187 -9.898 7.069 109 HD11 LEU 13 HD11 LEU 13 -14.882 -10.244 5.772 110 HD12 LEU 13 HD12 LEU 13 -13.364 -10.020 4.904 111 HD13 LEU 13 HD13 LEU 13 -13.979 -8.740 5.951 112 HD21 LEU 13 HD21 LEU 13 -13.310 -10.573 9.111 113 HD22 LEU 13 HD22 LEU 13 -14.835 -10.734 8.241 114 HD23 LEU 13 HD23 LEU 13 -14.093 -9.145 8.431 115 H LYS 14 H LYS 14 -11.063 -14.251 6.424 116 HA LYS 14 HA LYS 14 -12.956 -16.374 6.473 117 HB2 LYS 14 HB2 LYS 14 -11.447 -17.594 5.120 118 HB3 LYS 14 HB3 LYS 14 -11.250 -15.913 4.648 119 HG2 LYS 14 HG2 LYS 14 -9.220 -15.763 5.980 120 HG3 LYS 14 HG3 LYS 14 -9.430 -17.435 6.485 121 HD2 LYS 14 HD2 LYS 14 -9.237 -18.167 4.160 122 HD3 LYS 14 HD3 LYS 14 -9.036 -16.490 3.651 123 HE2 LYS 14 HE2 LYS 14 -6.882 -17.617 3.767 124 HE3 LYS 14 HE3 LYS 14 -6.981 -16.335 4.974 125 HZ1 LYS 14 HZ1 LYS 14 -7.384 -17.957 6.676 126 HZ2 LYS 14 HZ2 LYS 14 -5.993 -18.416 5.825 127 HZ3 LYS 14 HZ3 LYS 14 -7.465 -19.213 5.542 128 H ASP 15 H ASP 15 -10.494 -15.381 8.580 129 HA ASP 15 HA ASP 15 -10.064 -17.886 9.914 130 HB2 ASP 15 HB2 ASP 15 -8.371 -16.131 9.994 131 HB3 ASP 15 HB3 ASP 15 -9.500 -15.042 10.785 132 H GLN 16 H GLN 16 -11.912 -14.946 10.595 133 HA GLN 16 HA GLN 16 -13.035 -15.771 13.043 134 HB2 GLN 16 HB2 GLN 16 -14.530 -14.010 11.117 135 HB3 GLN 16 HB3 GLN 16 -14.486 -13.938 12.872 136 HG2 GLN 16 HG2 GLN 16 -11.981 -13.370 12.475 137 HG3 GLN 16 HG3 GLN 16 -12.540 -12.947 10.867 138 HE21 GLN 16 HE21 GLN 16 -12.190 -10.813 11.062 139 HE22 GLN 16 HE22 GLN 16 -13.096 -9.774 12.099 140 H GLY 17 H GLY 17 -13.847 -16.407 9.750 141 HA2 GLY 17 HA2 GLY 17 -15.111 -18.483 9.351 142 HA3 GLY 17 HA3 GLY 17 -16.194 -17.956 10.634 143 H CYS 18 H CYS 18 -14.822 -15.830 8.184 144 HA CYS 18 HA CYS 18 -17.517 -15.700 6.967 145 HB2 CYS 18 HB2 CYS 18 -16.608 -13.612 8.201 146 HB3 CYS 18 HB3 CYS 18 -15.512 -13.449 6.830 147 H GLU 19 H GLU 19 -17.568 -16.458 4.905 148 HA GLU 19 HA GLU 19 -15.416 -15.509 3.174 149 HB2 GLU 19 HB2 GLU 19 -15.093 -17.954 3.611 150 HB3 GLU 19 HB3 GLU 19 -16.656 -18.245 2.856 151 HG2 GLU 19 HG2 GLU 19 -15.877 -17.437 0.755 152 HG3 GLU 19 HG3 GLU 19 -14.372 -16.863 1.471 153 H ASP 20 H ASP 20 -17.121 -13.866 3.124 154 HA ASP 20 HA ASP 20 -18.555 -14.166 0.645 155 HB2 ASP 20 HB2 ASP 20 -20.245 -14.836 2.392 156 HB3 ASP 20 HB3 ASP 20 -20.074 -13.233 3.099 157 H PHE 21 H PHE 21 -16.879 -12.775 0.068 158 HA PHE 21 HA PHE 21 -17.467 -10.014 0.325 159 HB2 PHE 21 HB2 PHE 21 -15.082 -9.523 1.270 160 HB3 PHE 21 HB3 PHE 21 -16.396 -9.891 2.377 161 HD1 PHE 21 HD1 PHE 21 -13.455 -11.403 0.663 162 HD2 PHE 21 HD2 PHE 21 -16.216 -11.642 3.888 163 HE1 PHE 21 HE1 PHE 21 -12.093 -13.177 1.697 164 HE2 PHE 21 HE2 PHE 21 -14.869 -13.414 4.920 165 HZ PHE 21 HZ PHE 21 -12.793 -14.191 3.842 166 H GLY 22 H GLY 22 -15.927 -8.679 -0.905 167 HA2 GLY 22 HA2 GLY 22 -13.868 -9.704 -2.493 168 HA3 GLY 22 HA3 GLY 22 -15.365 -9.868 -3.405 169 H THR 23 H THR 23 -13.991 -8.342 -4.797 170 HA THR 23 HA THR 23 -14.601 -5.576 -3.979 171 HB THR 23 HB THR 23 -12.583 -4.986 -5.500 172 HG1 THR 23 HG1 THR 23 -11.189 -7.172 -4.764 173 HG21 THR 23 HG21 THR 23 -11.028 -5.168 -3.615 174 HG22 THR 23 HG22 THR 23 -12.141 -6.268 -2.804 175 HG23 THR 23 HG23 THR 23 -12.612 -4.593 -3.092 176 H LYS 24 H LYS 24 -15.499 -4.247 -5.512 177 HA LYS 24 HA LYS 24 -15.527 -5.270 -8.260 178 HB2 LYS 24 HB2 LYS 24 -17.779 -4.504 -8.649 179 HB3 LYS 24 HB3 LYS 24 -17.772 -5.601 -7.280 180 HG2 LYS 24 HG2 LYS 24 -19.111 -4.033 -6.391 181 HG3 LYS 24 HG3 LYS 24 -17.583 -3.241 -5.996 182 HD2 LYS 24 HD2 LYS 24 -17.738 -1.809 -7.888 183 HD3 LYS 24 HD3 LYS 24 -19.071 -2.743 -8.569 184 HE2 LYS 24 HE2 LYS 24 -19.266 -1.316 -5.929 185 HE3 LYS 24 HE3 LYS 24 -19.667 -0.541 -7.460 186 HZ1 LYS 24 HZ1 LYS 24 -21.441 -1.994 -7.812 187 HZ2 LYS 24 HZ2 LYS 24 -21.554 -1.588 -6.169 188 HZ3 LYS 24 HZ3 LYS 24 -20.918 -3.091 -6.631 189 H CYS 25 H CYS 25 -14.593 -3.976 -9.619 190 HA CYS 25 HA CYS 25 -14.264 -1.161 -8.919 191 HB2 CYS 25 HB2 CYS 25 -12.698 -1.171 -10.920 192 HB3 CYS 25 HB3 CYS 25 -12.199 -2.148 -9.545 193 HG CYS 25 HG CYS 25 -13.013 -4.578 -10.715 194 H VAL 26 H VAL 26 -16.424 -0.577 -9.304 195 HA VAL 26 HA VAL 26 -17.513 -0.925 -11.972 196 HB VAL 26 HB VAL 26 -18.925 -1.073 -9.882 197 HG11 VAL 26 HG11 VAL 26 -19.701 1.032 -8.875 198 HG12 VAL 26 HG12 VAL 26 -18.513 1.910 -9.840 199 HG13 VAL 26 HG13 VAL 26 -17.977 0.750 -8.624 200 HG21 VAL 26 HG21 VAL 26 -19.973 -0.802 -12.037 201 HG22 VAL 26 HG22 VAL 26 -19.739 0.944 -11.968 202 HG23 VAL 26 HG23 VAL 26 -20.840 0.158 -10.837 203 H ILE 27 H ILE 27 -18.286 1.023 -13.185 204 HA ILE 27 HA ILE 27 -16.492 3.295 -12.704 205 HB ILE 27 HB ILE 27 -17.710 2.287 -15.267 206 HG12 ILE 27 HG12 ILE 27 -14.842 2.839 -14.465 207 HG13 ILE 27 HG13 ILE 27 -15.599 1.246 -14.456 208 HG21 ILE 27 HG21 ILE 27 -16.716 4.240 -16.366 209 HG22 ILE 27 HG22 ILE 27 -16.249 4.879 -14.787 210 HG23 ILE 27 HG23 ILE 27 -17.956 4.707 -15.198 211 HD11 ILE 27 HD11 ILE 27 -15.203 2.988 -16.874 212 HD12 ILE 27 HD12 ILE 27 -15.934 1.384 -16.859 213 HD13 ILE 27 HD13 ILE 27 -14.233 1.580 -16.439 214 H GLU 28 H GLU 28 -17.322 5.161 -12.192 215 HA GLU 28 HA GLU 28 -20.160 5.660 -12.766 216 HB2 GLU 28 HB2 GLU 28 -18.519 6.448 -10.356 217 HB3 GLU 28 HB3 GLU 28 -20.047 7.227 -10.757 218 HG2 GLU 28 HG2 GLU 28 -21.086 4.932 -10.710 219 HG3 GLU 28 HG3 GLU 28 -19.570 4.359 -10.016 220 H GLU 29 H GLU 29 -20.120 6.913 -14.502 221 HA GLU 29 HA GLU 29 -17.937 8.714 -14.996 222 HB2 GLU 29 HB2 GLU 29 -18.949 9.143 -17.124 223 HB3 GLU 29 HB3 GLU 29 -19.053 7.420 -16.814 224 HG2 GLU 29 HG2 GLU 29 -21.313 9.368 -16.420 225 HG3 GLU 29 HG3 GLU 29 -21.072 8.383 -17.858 226 H VAL 30 H VAL 30 -17.875 10.869 -14.751 227 HA VAL 30 HA VAL 30 -20.001 12.080 -13.214 228 HB VAL 30 HB VAL 30 -17.353 13.202 -14.157 229 HG11 VAL 30 HG11 VAL 30 -19.392 14.398 -12.283 230 HG12 VAL 30 HG12 VAL 30 -18.961 15.005 -13.882 231 HG13 VAL 30 HG13 VAL 30 -17.774 15.035 -12.578 232 HG21 VAL 30 HG21 VAL 30 -18.275 12.275 -11.438 233 HG22 VAL 30 HG22 VAL 30 -16.699 12.970 -11.816 234 HG23 VAL 30 HG23 VAL 30 -17.163 11.412 -12.501 235 H LYS 31 H LYS 31 -21.699 12.274 -14.495 236 HA LYS 31 HA LYS 31 -21.770 12.976 -17.185 237 HB2 LYS 31 HB2 LYS 31 -23.907 13.492 -15.105 238 HB3 LYS 31 HB3 LYS 31 -24.148 13.321 -16.840 239 HG2 LYS 31 HG2 LYS 31 -23.654 11.019 -16.789 240 HG3 LYS 31 HG3 LYS 31 -22.985 11.122 -15.159 241 HD2 LYS 31 HD2 LYS 31 -25.259 11.750 -14.348 242 HD3 LYS 31 HD3 LYS 31 -25.872 11.435 -15.972 243 HE2 LYS 31 HE2 LYS 31 -26.199 9.530 -14.431 244 HE3 LYS 31 HE3 LYS 31 -25.204 9.122 -15.827 245 HZ1 LYS 31 HZ1 LYS 31 -24.506 8.450 -13.396 246 HZ2 LYS 31 HZ2 LYS 31 -23.837 10.009 -13.390 247 HZ3 LYS 31 HZ3 LYS 31 -23.348 8.875 -14.557 248 H SER 32 H SER 32 -21.102 14.789 -18.080 249 HA SER 32 HA SER 32 -20.904 17.230 -16.531 250 HB2 SER 32 HB2 SER 32 -20.135 16.722 -19.419 251 HB3 SER 32 HB3 SER 32 -19.631 18.082 -18.414 252 HG SER 32 HG SER 32 -19.093 15.607 -17.330 253 H SER 33 H SER 33 -21.330 19.230 -18.254 254 HA SER 33 HA SER 33 -24.098 19.578 -18.365 255 HB2 SER 33 HB2 SER 33 -23.462 21.492 -19.951 256 HB3 SER 33 HB3 SER 33 -22.726 21.517 -18.347 257 HG SER 33 HG SER 33 -21.270 21.873 -20.198 258 H HIS 34 H HIS 34 -21.879 19.246 -21.129 259 HA HIS 34 HA HIS 34 -23.961 18.516 -22.941 260 HB2 HIS 34 HB2 HIS 34 -20.966 18.173 -23.252 261 HB3 HIS 34 HB3 HIS 34 -22.158 18.121 -24.545 262 HD1 HIS 34 HD1 HIS 34 -23.430 20.498 -24.988 263 HD2 HIS 34 HD2 HIS 34 -19.945 20.610 -22.723 264 HE1 HIS 34 HE1 HIS 34 -22.650 22.904 -24.997 265 H LYS 35 H LYS 35 -24.897 16.592 -23.076 266 HA LYS 35 HA LYS 35 -23.376 14.236 -22.154 267 HB2 LYS 35 HB2 LYS 35 -26.361 14.685 -21.983 268 HB3 LYS 35 HB3 LYS 35 -25.503 13.249 -21.445 269 HG2 LYS 35 HG2 LYS 35 -24.336 14.571 -19.757 270 HG3 LYS 35 HG3 LYS 35 -25.182 16.020 -20.306 271 HD2 LYS 35 HD2 LYS 35 -27.331 14.911 -19.747 272 HD3 LYS 35 HD3 LYS 35 -26.417 13.552 -19.087 273 HE2 LYS 35 HE2 LYS 35 -27.116 15.058 -17.312 274 HE3 LYS 35 HE3 LYS 35 -25.360 15.056 -17.470 275 HZ1 LYS 35 HZ1 LYS 35 -25.458 17.131 -18.641 276 HZ2 LYS 35 HZ2 LYS 35 -26.315 17.296 -17.187 277 HZ3 LYS 35 HZ3 LYS 35 -27.154 17.112 -18.649 278 H THR 36 H THR 36 -23.294 12.501 -23.463 279 HA THR 36 HA THR 36 -25.250 11.990 -25.472 280 HB THR 36 HB THR 36 -23.950 13.701 -26.670 281 HG1 THR 36 HG1 THR 36 -24.452 12.473 -28.308 282 HG21 THR 36 HG21 THR 36 -21.601 11.832 -26.350 283 HG22 THR 36 HG22 THR 36 -21.801 13.375 -25.517 284 HG23 THR 36 HG23 THR 36 -21.621 13.335 -27.273 285 H LEU 37 H LEU 37 -25.331 9.844 -25.852 286 HA LEU 37 HA LEU 37 -23.171 8.242 -24.678 287 HB2 LEU 37 HB2 LEU 37 -24.853 6.391 -24.649 288 HB3 LEU 37 HB3 LEU 37 -25.232 7.751 -23.615 289 HG LEU 37 HG LEU 37 -26.677 8.489 -25.723 290 HD11 LEU 37 HD11 LEU 37 -26.039 6.667 -27.170 291 HD12 LEU 37 HD12 LEU 37 -27.746 6.523 -26.751 292 HD13 LEU 37 HD13 LEU 37 -26.554 5.487 -25.964 293 HD21 LEU 37 HD21 LEU 37 -28.601 7.427 -24.662 294 HD22 LEU 37 HD22 LEU 37 -27.516 8.137 -23.467 295 HD23 LEU 37 HD23 LEU 37 -27.520 6.393 -23.728 296 H LEU 38 H LEU 38 -21.942 6.964 -25.885 297 HA LEU 38 HA LEU 38 -22.794 5.745 -28.287 298 HB2 LEU 38 HB2 LEU 38 -21.478 6.859 -29.930 299 HB3 LEU 38 HB3 LEU 38 -22.450 8.076 -29.131 300 HG LEU 38 HG LEU 38 -19.592 7.613 -28.305 301 HD11 LEU 38 HD11 LEU 38 -18.922 9.370 -29.852 302 HD12 LEU 38 HD12 LEU 38 -20.559 9.432 -30.507 303 HD13 LEU 38 HD13 LEU 38 -19.577 7.982 -30.720 304 HD21 LEU 38 HD21 LEU 38 -21.389 10.025 -28.219 305 HD22 LEU 38 HD22 LEU 38 -19.742 9.917 -27.597 306 HD23 LEU 38 HD23 LEU 38 -21.027 8.961 -26.860 307 H ASN 39 H ASN 39 -20.542 5.211 -29.545 308 HA ASN 39 HA ASN 39 -19.324 3.126 -28.441 309 HB2 ASN 39 HB2 ASN 39 -18.910 3.857 -30.714 310 HB3 ASN 39 HB3 ASN 39 -18.015 5.260 -30.128 311 HD21 ASN 39 HD21 ASN 39 -17.963 1.819 -30.620 312 HD22 ASN 39 HD22 ASN 39 -16.256 1.612 -30.395 313 H THR 40 H THR 40 -17.956 6.401 -28.128 314 HA THR 40 HA THR 40 -16.169 5.402 -26.021 315 HB THR 40 HB THR 40 -15.122 7.732 -26.429 316 HG1 THR 40 HG1 THR 40 -15.607 8.642 -28.423 317 HG21 THR 40 HG21 THR 40 -14.018 5.640 -27.038 318 HG22 THR 40 HG22 THR 40 -13.777 6.851 -28.297 319 HG23 THR 40 HG23 THR 40 -14.959 5.562 -28.528 320 H GLU 41 H GLU 41 -19.059 7.000 -26.327 321 HA GLU 41 HA GLU 41 -20.282 8.488 -25.111 322 HB2 GLU 41 HB2 GLU 41 -18.302 7.921 -22.892 323 HB3 GLU 41 HB3 GLU 41 -19.940 8.545 -22.714 324 HG2 GLU 41 HG2 GLU 41 -20.863 6.474 -23.509 325 HG3 GLU 41 HG3 GLU 41 -19.247 5.851 -23.842 326 H LEU 42 H LEU 42 -17.905 9.260 -26.657 327 HA LEU 42 HA LEU 42 -16.775 11.116 -27.268 328 HB2 LEU 42 HB2 LEU 42 -18.997 12.187 -26.745 329 HB3 LEU 42 HB3 LEU 42 -18.370 12.570 -25.154 330 HG LEU 42 HG LEU 42 -16.596 13.940 -26.215 331 HD11 LEU 42 HD11 LEU 42 -18.121 13.360 -28.749 332 HD12 LEU 42 HD12 LEU 42 -16.491 12.808 -28.363 333 HD13 LEU 42 HD13 LEU 42 -16.811 14.529 -28.580 334 HD21 LEU 42 HD21 LEU 42 -18.638 14.987 -25.415 335 HD22 LEU 42 HD22 LEU 42 -19.422 14.673 -26.963 336 HD23 LEU 42 HD23 LEU 42 -18.058 15.787 -26.876 337 H HIS 43 H HIS 43 -15.982 9.375 -24.980 338 HA HIS 43 HA HIS 43 -14.487 9.185 -23.299 339 HB2 HIS 43 HB2 HIS 43 -13.321 11.194 -25.086 340 HB3 HIS 43 HB3 HIS 43 -12.752 11.328 -23.424 341 HD1 HIS 43 HD1 HIS 43 -12.032 9.570 -26.497 342 HD2 HIS 43 HD2 HIS 43 -11.766 8.717 -22.434 343 HE1 HIS 43 HE1 HIS 43 -10.432 7.622 -26.276 344 H LEU 44 H LEU 44 -16.295 9.624 -21.932 345 HA LEU 44 HA LEU 44 -16.571 12.307 -20.863 346 HB2 LEU 44 HB2 LEU 44 -18.527 10.815 -21.346 347 HB3 LEU 44 HB3 LEU 44 -17.975 9.747 -20.071 348 HG LEU 44 HG LEU 44 -18.322 11.537 -18.419 349 HD11 LEU 44 HD11 LEU 44 -17.933 13.451 -19.894 350 HD12 LEU 44 HD12 LEU 44 -19.474 13.583 -19.049 351 HD13 LEU 44 HD13 LEU 44 -19.439 13.099 -20.744 352 HD21 LEU 44 HD21 LEU 44 -20.116 9.953 -18.865 353 HD22 LEU 44 HD22 LEU 44 -20.715 10.977 -20.169 354 HD23 LEU 44 HD23 LEU 44 -20.771 11.549 -18.500 355 H THR 45 H THR 45 -15.772 12.975 -18.943 356 HA THR 45 HA THR 45 -13.695 11.599 -17.678 357 HB THR 45 HB THR 45 -15.439 13.691 -16.386 358 HG1 THR 45 HG1 THR 45 -14.576 14.304 -18.509 359 HG21 THR 45 HG21 THR 45 -13.869 12.567 -14.878 360 HG22 THR 45 HG22 THR 45 -13.410 14.250 -15.138 361 HG23 THR 45 HG23 THR 45 -12.540 12.960 -15.969 362 H LYS 46 H LYS 46 -14.006 9.662 -16.869 363 HA LYS 46 HA LYS 46 -16.343 9.196 -15.162 364 HB2 LYS 46 HB2 LYS 46 -16.631 7.136 -16.064 365 HB3 LYS 46 HB3 LYS 46 -15.787 7.863 -17.423 366 HG2 LYS 46 HG2 LYS 46 -14.427 6.284 -15.258 367 HG3 LYS 46 HG3 LYS 46 -15.009 5.584 -16.767 368 HD2 LYS 46 HD2 LYS 46 -13.413 6.681 -18.036 369 HD3 LYS 46 HD3 LYS 46 -13.150 7.928 -16.810 370 HE2 LYS 46 HE2 LYS 46 -12.033 6.381 -15.379 371 HE3 LYS 46 HE3 LYS 46 -12.447 5.028 -16.429 372 HZ1 LYS 46 HZ1 LYS 46 -11.026 5.912 -18.133 373 HZ2 LYS 46 HZ2 LYS 46 -10.141 5.772 -16.690 374 HZ3 LYS 46 HZ3 LYS 46 -10.691 7.293 -17.204 375 H TYR 47 H TYR 47 -16.038 7.786 -13.337 376 HA TYR 47 HA TYR 47 -13.270 7.794 -12.355 377 HB2 TYR 47 HB2 TYR 47 -15.806 8.587 -10.933 378 HB3 TYR 47 HB3 TYR 47 -14.374 8.086 -10.045 379 HD1 TYR 47 HD2 TYR 47 -15.341 10.499 -12.748 380 HD2 TYR 47 HD1 TYR 47 -12.926 9.718 -9.336 381 HE1 TYR 47 HE2 TYR 47 -14.450 12.782 -12.861 382 HE2 TYR 47 HE1 TYR 47 -12.035 12.004 -9.436 383 HH TYR 47 HH TYR 47 -13.394 14.433 -11.409 384 H TYR 48 H TYR 48 -12.555 6.005 -11.404 385 HA TYR 48 HA TYR 48 -14.078 3.594 -11.609 386 HB2 TYR 48 HB2 TYR 48 -11.329 4.306 -10.654 387 HB3 TYR 48 HB3 TYR 48 -12.004 2.738 -10.231 388 HD1 TYR 48 HD2 TYR 48 -13.028 4.099 -13.422 389 HD2 TYR 48 HD1 TYR 48 -10.063 1.776 -11.456 390 HE1 TYR 48 HE2 TYR 48 -12.313 3.183 -15.589 391 HE2 TYR 48 HE1 TYR 48 -9.342 0.853 -13.612 392 HH TYR 48 HH TYR 48 -10.456 0.468 -15.909 393 H GLY 49 H GLY 49 -15.688 3.260 -10.262 394 HA2 GLY 49 HA2 GLY 49 -15.602 4.202 -7.521 395 HA3 GLY 49 HA3 GLY 49 -16.928 3.336 -8.296 396 H PHE 50 H PHE 50 -13.589 2.876 -7.195 397 HA PHE 50 HA PHE 50 -13.758 0.059 -6.970 398 HB2 PHE 50 HB2 PHE 50 -11.853 2.155 -6.202 399 HB3 PHE 50 HB3 PHE 50 -11.878 0.782 -5.101 400 HD1 PHE 50 HD2 PHE 50 -11.409 -1.491 -5.967 401 HD2 PHE 50 HD1 PHE 50 -10.855 1.992 -8.345 402 HE1 PHE 50 HE2 PHE 50 -9.970 -2.768 -7.496 403 HE2 PHE 50 HE1 PHE 50 -9.428 0.724 -9.871 404 HZ PHE 50 HZ PHE 50 -8.967 -1.655 -9.448 405 H SER 51 H SER 51 -14.421 -1.226 -5.320 406 HA SER 51 HA SER 51 -14.994 -0.119 -2.732 407 HB2 SER 51 HB2 SER 51 -17.435 -0.907 -2.905 408 HB3 SER 51 HB3 SER 51 -17.007 0.611 -3.692 409 HG SER 51 HG SER 51 -16.702 -0.718 -5.634 410 H PHE 52 H PHE 52 -15.351 -1.649 -1.155 411 HA PHE 52 HA PHE 52 -14.826 -4.412 -1.989 412 HB2 PHE 52 HB2 PHE 52 -13.192 -3.318 -0.378 413 HB3 PHE 52 HB3 PHE 52 -14.501 -3.303 0.804 414 HD1 PHE 52 HD2 PHE 52 -15.349 -5.364 1.757 415 HD2 PHE 52 HD1 PHE 52 -12.151 -5.379 -1.046 416 HE1 PHE 52 HE2 PHE 52 -14.858 -7.696 2.338 417 HE2 PHE 52 HE1 PHE 52 -11.651 -7.715 -0.471 418 HZ PHE 52 HZ PHE 52 -13.009 -8.877 1.220 419 H PHE 53 H PHE 53 -16.409 -5.792 -1.880 420 HA PHE 53 HA PHE 53 -18.896 -5.006 -0.583 421 HB2 PHE 53 HB2 PHE 53 -18.162 -6.715 -2.839 422 HB3 PHE 53 HB3 PHE 53 -19.370 -7.444 -1.783 423 HD1 PHE 53 HD1 PHE 53 -21.546 -6.429 -1.496 424 HD2 PHE 53 HD2 PHE 53 -18.659 -4.751 -4.128 425 HE1 PHE 53 HE1 PHE 53 -23.302 -5.062 -2.538 426 HE2 PHE 53 HE2 PHE 53 -20.409 -3.380 -5.177 427 HZ PHE 53 HZ PHE 53 -22.732 -3.530 -4.382 428 H ARG 54 H ARG 54 -19.933 -6.168 0.932 429 HA ARG 54 HA ARG 54 -18.679 -8.530 2.093 430 HB2 ARG 54 HB2 ARG 54 -17.551 -6.872 3.333 431 HB3 ARG 54 HB3 ARG 54 -18.985 -5.867 3.450 432 HG2 ARG 54 HG2 ARG 54 -18.507 -6.828 5.587 433 HG3 ARG 54 HG3 ARG 54 -19.996 -7.531 4.956 434 HD2 ARG 54 HD2 ARG 54 -18.900 -9.559 4.396 435 HD3 ARG 54 HD3 ARG 54 -17.307 -8.848 4.674 436 HE ARG 54 HE ARG 54 -19.190 -9.765 6.692 437 HH11 ARG 54 1HH1 ARG 54 -16.280 -8.042 5.921 438 HH12 ARG 54 2HH1 ARG 54 -15.645 -8.084 7.539 439 HH21 ARG 54 1HH2 ARG 54 -18.369 -9.836 8.873 440 HH22 ARG 54 2HH2 ARG 54 -16.827 -9.123 9.210 441 H HIS 55 H HIS 55 -20.426 -9.847 1.888 442 HA HIS 55 HA HIS 55 -22.498 -10.730 2.182 443 HB2 HIS 55 HB2 HIS 55 -22.250 -8.867 4.491 444 HB3 HIS 55 HB3 HIS 55 -23.839 -9.538 4.149 445 HD1 HIS 55 HD1 HIS 55 -24.303 -11.773 5.146 446 HD2 HIS 55 HD2 HIS 55 -20.230 -10.955 4.903 447 HE1 HIS 55 HE1 HIS 55 -23.127 -13.659 6.348 448 H GLY 56 H GLY 56 -22.128 -8.483 0.342 449 HA2 GLY 56 HA2 GLY 56 -23.640 -7.554 -1.185 450 HA3 GLY 56 HA3 GLY 56 -24.942 -7.841 -0.039 451 H ASN 57 H ASN 57 -22.646 -6.468 1.786 452 HA ASN 57 HA ASN 57 -23.741 -3.772 1.373 453 HB2 ASN 57 HB2 ASN 57 -22.068 -4.655 3.726 454 HB3 ASN 57 HB3 ASN 57 -23.097 -3.236 3.606 455 HD21 ASN 57 HD21 ASN 57 -22.889 -6.557 4.292 456 HD22 ASN 57 HD22 ASN 57 -24.522 -6.788 4.827 457 H ILE 58 H ILE 58 -22.064 -2.043 2.082 458 HA ILE 58 HA ILE 58 -19.553 -2.594 0.645 459 HB ILE 58 HB ILE 58 -21.157 -0.059 0.890 460 HG12 ILE 58 HG12 ILE 58 -21.728 -1.714 -0.876 461 HG13 ILE 58 HG13 ILE 58 -21.224 -0.155 -1.522 462 HG21 ILE 58 HG21 ILE 58 -18.356 -0.338 -0.194 463 HG22 ILE 58 HG22 ILE 58 -18.823 0.522 1.273 464 HG23 ILE 58 HG23 ILE 58 -19.362 1.106 -0.301 465 HD11 ILE 58 HD11 ILE 58 -20.276 -1.984 -2.798 466 HD12 ILE 58 HD12 ILE 58 -19.531 -2.638 -1.339 467 HD13 ILE 58 HD13 ILE 58 -19.006 -1.079 -1.975 468 H VAL 59 H VAL 59 -17.863 -2.744 1.900 469 HA VAL 59 HA VAL 59 -17.833 -1.390 4.496 470 HB VAL 59 HB VAL 59 -15.944 -3.456 3.330 471 HG11 VAL 59 HG11 VAL 59 -15.898 -2.065 6.009 472 HG12 VAL 59 HG12 VAL 59 -14.648 -2.033 4.765 473 HG13 VAL 59 HG13 VAL 59 -14.985 -3.530 5.642 474 HG21 VAL 59 HG21 VAL 59 -17.953 -3.615 5.576 475 HG22 VAL 59 HG22 VAL 59 -16.857 -4.907 5.082 476 HG23 VAL 59 HG23 VAL 59 -18.116 -4.343 3.979 477 H ALA 60 H ALA 60 -16.130 -1.513 1.422 478 HA ALA 60 HA ALA 60 -14.818 1.023 2.163 479 HB1 ALA 60 1HB ALA 60 -12.830 0.350 0.903 480 HB2 ALA 60 HB2 ALA 60 -13.558 -1.227 0.592 481 HB3 ALA 60 HB3 ALA 60 -13.148 -0.755 2.242 482 H TYR 61 H TYR 61 -14.861 2.601 0.632 483 HA TYR 61 HA TYR 61 -15.383 1.894 -2.138 484 HB2 TYR 61 HB2 TYR 61 -17.635 2.325 -1.135 485 HB3 TYR 61 HB3 TYR 61 -17.095 3.946 -0.707 486 HD1 TYR 61 HD2 TYR 61 -16.609 5.596 -2.492 487 HD2 TYR 61 HD1 TYR 61 -18.298 1.799 -3.383 488 HE1 TYR 61 HE2 TYR 61 -17.255 6.412 -4.714 489 HE2 TYR 61 HE1 TYR 61 -18.941 2.599 -5.619 490 HH TYR 61 HH TYR 61 -19.377 4.731 -6.785 491 H GLY 62 H GLY 62 -14.290 3.164 -3.516 492 HA2 GLY 62 HA2 GLY 62 -13.467 5.843 -2.710 493 HA3 GLY 62 HA3 GLY 62 -12.178 4.688 -3.030 494 H LYS 63 H LYS 63 -14.615 6.716 -4.401 495 HA LYS 63 HA LYS 63 -14.212 5.720 -7.085 496 HB2 LYS 63 HB2 LYS 63 -16.420 6.372 -6.585 497 HB3 LYS 63 HB3 LYS 63 -15.896 7.873 -5.840 498 HG2 LYS 63 HG2 LYS 63 -15.460 8.876 -7.898 499 HG3 LYS 63 HG3 LYS 63 -15.485 7.330 -8.749 500 HD2 LYS 63 HD2 LYS 63 -17.508 8.719 -9.107 501 HD3 LYS 63 HD3 LYS 63 -17.836 7.120 -8.437 502 HE2 LYS 63 HE2 LYS 63 -18.002 8.117 -6.190 503 HE3 LYS 63 HE3 LYS 63 -17.736 9.712 -6.891 504 HZ1 LYS 63 HZ1 LYS 63 -20.001 7.934 -7.636 505 HZ2 LYS 63 HZ2 LYS 63 -19.779 9.555 -8.082 506 HZ3 LYS 63 HZ3 LYS 63 -20.103 9.160 -6.468 507 H SER 64 H SER 64 -12.518 6.313 -8.249 508 HA SER 64 HA SER 64 -11.618 9.080 -8.200 509 HB2 SER 64 HB2 SER 64 -10.288 7.978 -6.447 510 HB3 SER 64 HB3 SER 64 -9.766 6.759 -7.609 511 HG SER 64 HG SER 64 -9.258 9.557 -7.786 512 H ARG 65 H ARG 65 -10.316 9.649 -10.028 513 HA ARG 65 HA ARG 65 -11.058 8.271 -12.413 514 HB2 ARG 65 HB2 ARG 65 -9.824 9.979 -13.589 515 HB3 ARG 65 HB3 ARG 65 -10.697 10.743 -12.267 516 HG2 ARG 65 HG2 ARG 65 -8.625 10.720 -10.929 517 HG3 ARG 65 HG3 ARG 65 -7.766 10.049 -12.314 518 HD2 ARG 65 HD2 ARG 65 -8.378 12.056 -13.619 519 HD3 ARG 65 HD3 ARG 65 -9.155 12.721 -12.182 520 HE ARG 65 HE ARG 65 -6.373 11.976 -11.851 521 HH11 ARG 65 1HH1 ARG 65 -8.671 14.538 -12.526 522 HH12 ARG 65 2HH1 ARG 65 -7.521 15.811 -12.230 523 HH21 ARG 65 1HH2 ARG 65 -4.864 13.655 -11.452 524 HH22 ARG 65 2HH2 ARG 65 -5.378 15.309 -11.594 525 H LYS 66 H LYS 66 -8.318 8.253 -10.318 526 HA LYS 66 HA LYS 66 -6.676 6.736 -12.194 527 HB2 LYS 66 HB2 LYS 66 -5.722 8.590 -10.801 528 HB3 LYS 66 HB3 LYS 66 -6.079 7.641 -9.366 529 HG2 LYS 66 HG2 LYS 66 -4.602 5.849 -10.319 530 HG3 LYS 66 HG3 LYS 66 -4.109 7.020 -11.543 531 HD2 LYS 66 HD2 LYS 66 -3.441 8.556 -9.686 532 HD3 LYS 66 HD3 LYS 66 -3.769 7.241 -8.557 533 HE2 LYS 66 HE2 LYS 66 -1.436 7.207 -8.978 534 HE3 LYS 66 HE3 LYS 66 -2.132 5.851 -9.864 535 HZ1 LYS 66 HZ1 LYS 66 -0.522 7.044 -11.204 536 HZ2 LYS 66 HZ2 LYS 66 -1.395 8.485 -11.022 537 HZ3 LYS 66 HZ3 LYS 66 -2.068 7.188 -11.883 538 H VAL 67 H VAL 67 -6.753 4.563 -12.194 539 HA VAL 67 HA VAL 67 -8.379 3.046 -10.525 540 HB VAL 67 HB VAL 67 -7.548 2.253 -12.710 541 HG11 VAL 67 HG11 VAL 67 -5.334 1.242 -12.906 542 HG12 VAL 67 HG12 VAL 67 -4.938 1.814 -11.285 543 HG13 VAL 67 HG13 VAL 67 -5.244 2.972 -12.579 544 HG21 VAL 67 HG21 VAL 67 -8.499 0.564 -11.411 545 HG22 VAL 67 HG22 VAL 67 -7.117 0.498 -10.320 546 HG23 VAL 67 HG23 VAL 67 -6.970 -0.111 -11.969 547 H ALA 68 H ALA 68 -4.942 3.818 -10.226 548 HA ALA 68 HA ALA 68 -4.441 2.163 -7.983 549 HB1 ALA 68 1HB ALA 68 -2.968 4.624 -8.906 550 HB2 ALA 68 HB2 ALA 68 -2.659 2.970 -9.435 551 HB3 ALA 68 HB3 ALA 68 -2.368 3.429 -7.757 552 H ASN 69 H ASN 69 -5.588 5.478 -8.305 553 HA ASN 69 HA ASN 69 -5.182 6.096 -5.523 554 HB2 ASN 69 HB2 ASN 69 -5.130 7.828 -7.339 555 HB3 ASN 69 HB3 ASN 69 -6.865 7.610 -7.528 556 HD21 ASN 69 HD21 ASN 69 -8.224 8.613 -6.153 557 HD22 ASN 69 HD22 ASN 69 -7.713 9.640 -4.852 558 H ALA 70 H ALA 70 -7.920 5.275 -7.595 559 HA ALA 70 HA ALA 70 -9.952 5.357 -5.688 560 HB1 ALA 70 1HB ALA 70 -9.656 3.438 -7.997 561 HB2 ALA 70 HB2 ALA 70 -10.334 5.064 -8.095 562 HB3 ALA 70 HB3 ALA 70 -11.155 3.822 -7.149 563 H LYS 71 H LYS 71 -7.829 2.664 -6.630 564 HA LYS 71 HA LYS 71 -8.660 0.760 -4.777 565 HB2 LYS 71 HB2 LYS 71 -5.926 1.338 -5.912 566 HB3 LYS 71 HB3 LYS 71 -6.246 -0.036 -4.868 567 HG2 LYS 71 HG2 LYS 71 -7.896 -0.836 -6.481 568 HG3 LYS 71 HG3 LYS 71 -7.474 0.508 -7.540 569 HD2 LYS 71 HD2 LYS 71 -5.591 -1.657 -6.603 570 HD3 LYS 71 HD3 LYS 71 -6.326 -1.556 -8.203 571 HE2 LYS 71 HE2 LYS 71 -5.150 0.474 -8.681 572 HE3 LYS 71 HE3 LYS 71 -4.536 0.564 -7.032 573 HZ1 LYS 71 HZ1 LYS 71 -2.879 -0.275 -8.613 574 HZ2 LYS 71 HZ2 LYS 71 -3.881 -1.598 -8.968 575 HZ3 LYS 71 HZ3 LYS 71 -3.240 -1.410 -7.407 576 H TYR 72 H TYR 72 -6.284 3.334 -4.484 577 HA TYR 72 HA TYR 72 -5.208 2.663 -2.040 578 HB2 TYR 72 HB2 TYR 72 -4.086 4.294 -3.312 579 HB3 TYR 72 HB3 TYR 72 -5.533 5.277 -3.489 580 HD1 TYR 72 HD2 TYR 72 -2.946 4.204 -1.054 581 HD2 TYR 72 HD1 TYR 72 -6.013 7.008 -1.978 582 HE1 TYR 72 HE2 TYR 72 -2.209 5.618 0.817 583 HE2 TYR 72 HE1 TYR 72 -5.277 8.434 -0.113 584 HH TYR 72 HH TYR 72 -4.038 8.251 1.987 585 H ILE 73 H ILE 73 -7.938 4.794 -2.745 586 HA ILE 73 HA ILE 73 -8.484 5.652 -0.143 587 HB ILE 73 HB ILE 73 -10.412 5.255 -2.431 588 HG12 ILE 73 HG12 ILE 73 -9.178 7.856 -1.574 589 HG13 ILE 73 HG13 ILE 73 -8.298 6.770 -2.643 590 HG21 ILE 73 HG21 ILE 73 -11.830 6.873 -1.278 591 HG22 ILE 73 HG22 ILE 73 -10.671 6.957 0.050 592 HG23 ILE 73 HG23 ILE 73 -11.546 5.457 -0.262 593 HD11 ILE 73 HD11 ILE 73 -10.179 6.855 -4.222 594 HD12 ILE 73 HD12 ILE 73 -9.439 8.429 -3.937 595 HD13 ILE 73 HD13 ILE 73 -10.977 8.026 -3.171 596 H MET 74 H MET 74 -10.063 3.016 -1.985 597 HA MET 74 HA MET 74 -11.701 2.193 0.146 598 HB2 MET 74 HB2 MET 74 -12.105 0.148 -1.124 599 HB3 MET 74 HB3 MET 74 -12.161 1.548 -2.188 600 HG2 MET 74 HG2 MET 74 -10.148 1.016 -3.191 601 HG3 MET 74 HG3 MET 74 -9.654 -0.037 -1.868 602 HE1 MET 74 HE1 MET 74 -9.892 -3.105 -3.824 603 HE2 MET 74 HE2 MET 74 -9.521 -2.446 -2.229 604 HE3 MET 74 HE3 MET 74 -8.845 -1.690 -3.672 605 H LYS 75 H LYS 75 -8.458 1.177 -0.855 606 HA LYS 75 HA LYS 75 -8.111 -1.015 0.828 607 HB2 LYS 75 HB2 LYS 75 -6.159 1.061 -0.168 608 HB3 LYS 75 HB3 LYS 75 -5.653 -0.306 0.812 609 HG2 LYS 75 HG2 LYS 75 -6.197 -1.853 -0.866 610 HG3 LYS 75 HG3 LYS 75 -7.157 -0.671 -1.764 611 HD2 LYS 75 HD2 LYS 75 -5.165 0.590 -2.289 612 HD3 LYS 75 HD3 LYS 75 -4.180 -0.500 -1.316 613 HE2 LYS 75 HE2 LYS 75 -5.762 -1.364 -3.729 614 HE3 LYS 75 HE3 LYS 75 -4.068 -0.881 -3.790 615 HZ1 LYS 75 HZ1 LYS 75 -5.230 -3.197 -2.346 616 HZ2 LYS 75 HZ2 LYS 75 -3.629 -2.677 -2.141 617 HZ3 LYS 75 HZ3 LYS 75 -4.158 -3.231 -3.658 618 H GLN 76 H GLN 76 -7.417 2.412 1.442 619 HA GLN 76 HA GLN 76 -6.446 2.065 4.060 620 HB2 GLN 76 HB2 GLN 76 -7.617 4.470 2.668 621 HB3 GLN 76 HB3 GLN 76 -6.915 4.538 4.277 622 HG2 GLN 76 HG2 GLN 76 -5.477 3.702 1.770 623 HG3 GLN 76 HG3 GLN 76 -5.345 5.270 2.563 624 HE21 GLN 76 HE21 GLN 76 -3.298 3.257 2.006 625 HE22 GLN 76 HE22 GLN 76 -2.584 2.871 3.531 626 H ARG 77 H ARG 77 -9.651 2.076 2.829 627 HA ARG 77 HA ARG 77 -11.027 2.868 5.171 628 HB2 ARG 77 HB2 ARG 77 -11.900 1.124 2.867 629 HB3 ARG 77 HB3 ARG 77 -12.977 1.712 4.127 630 HG2 ARG 77 HG2 ARG 77 -11.365 3.499 2.322 631 HG3 ARG 77 HG3 ARG 77 -13.039 3.027 2.017 632 HD2 ARG 77 HD2 ARG 77 -13.776 4.108 4.017 633 HD3 ARG 77 HD3 ARG 77 -12.117 4.395 4.534 634 HE ARG 77 HE ARG 77 -11.908 6.022 2.777 635 HH11 ARG 77 1HH1 ARG 77 -15.161 4.850 3.328 636 HH12 ARG 77 2HH1 ARG 77 -15.922 6.293 2.726 637 HH21 ARG 77 1HH2 ARG 77 -12.885 7.912 1.990 638 HH22 ARG 77 2HH2 ARG 77 -14.615 8.051 1.959 639 H LEU 78 H LEU 78 -10.798 -0.453 3.798 640 HA LEU 78 HA LEU 78 -11.531 -1.659 6.261 641 HB2 LEU 78 HB2 LEU 78 -9.819 -3.221 4.421 642 HB3 LEU 78 HB3 LEU 78 -11.294 -3.679 5.252 643 HG LEU 78 HG LEU 78 -12.320 -1.929 3.490 644 HD11 LEU 78 HD11 LEU 78 -11.257 -2.226 1.329 645 HD12 LEU 78 HD12 LEU 78 -9.976 -3.186 2.071 646 HD13 LEU 78 HD13 LEU 78 -10.135 -1.473 2.462 647 HD21 LEU 78 HD21 LEU 78 -11.647 -4.810 2.975 648 HD22 LEU 78 HD22 LEU 78 -12.880 -3.880 2.128 649 HD23 LEU 78 HD23 LEU 78 -13.052 -4.211 3.851 650 H LEU 79 H LEU 79 -8.470 -0.683 4.913 651 HA LEU 79 HA LEU 79 -6.691 -2.102 6.494 652 HB2 LEU 79 HB2 LEU 79 -6.102 -0.662 4.569 653 HB3 LEU 79 HB3 LEU 79 -6.450 0.752 5.531 654 HG LEU 79 HG LEU 79 -3.995 0.055 5.162 655 HD11 LEU 79 HD11 LEU 79 -4.689 1.815 6.698 656 HD12 LEU 79 HD12 LEU 79 -3.341 0.882 7.349 657 HD13 LEU 79 HD13 LEU 79 -4.976 0.612 7.956 658 HD21 LEU 79 HD21 LEU 79 -4.732 -1.857 7.375 659 HD22 LEU 79 HD22 LEU 79 -3.101 -1.523 6.790 660 HD23 LEU 79 HD23 LEU 79 -4.275 -2.305 5.731 661 H LYS 80 H LYS 80 -8.216 1.039 7.162 662 HA LYS 80 HA LYS 80 -7.078 1.334 9.728 663 HB2 LYS 80 HB2 LYS 80 -9.141 2.681 8.148 664 HB3 LYS 80 HB3 LYS 80 -9.438 2.724 9.881 665 HG2 LYS 80 HG2 LYS 80 -6.883 3.600 8.558 666 HG3 LYS 80 HG3 LYS 80 -8.189 4.680 9.043 667 HD2 LYS 80 HD2 LYS 80 -6.528 2.928 10.856 668 HD3 LYS 80 HD3 LYS 80 -6.451 4.687 10.729 669 HE2 LYS 80 HE2 LYS 80 -8.879 4.719 11.421 670 HE3 LYS 80 HE3 LYS 80 -8.712 3.000 11.782 671 HZ1 LYS 80 HZ1 LYS 80 -7.067 5.151 13.014 672 HZ2 LYS 80 HZ2 LYS 80 -7.045 3.505 13.421 673 HZ3 LYS 80 HZ3 LYS 80 -8.423 4.439 13.737 674 H LEU 81 H LEU 81 -9.869 -0.397 8.575 675 HA LEU 81 HA LEU 81 -11.140 -0.692 11.087 676 HB2 LEU 81 HB2 LEU 81 -11.454 -1.808 8.371 677 HB3 LEU 81 HB3 LEU 81 -12.089 -2.783 9.683 678 HG LEU 81 HG LEU 81 -13.606 -1.088 10.339 679 HD11 LEU 81 HD11 LEU 81 -12.146 0.834 10.135 680 HD12 LEU 81 HD12 LEU 81 -13.695 1.115 9.341 681 HD13 LEU 81 HD13 LEU 81 -12.265 0.743 8.378 682 HD21 LEU 81 HD21 LEU 81 -14.882 -0.657 8.266 683 HD22 LEU 81 HD22 LEU 81 -14.378 -2.336 8.445 684 HD23 LEU 81 HD23 LEU 81 -13.511 -1.269 7.340 685 H LEU 82 H LEU 82 -8.716 -2.601 9.361 686 HA LEU 82 HA LEU 82 -8.815 -4.644 11.414 687 HB2 LEU 82 HB2 LEU 82 -6.929 -5.666 10.128 688 HB3 LEU 82 HB3 LEU 82 -8.434 -5.483 9.252 689 HG LEU 82 HG LEU 82 -7.117 -3.182 8.577 690 HD11 LEU 82 HD11 LEU 82 -4.858 -3.856 7.897 691 HD12 LEU 82 HD12 LEU 82 -5.068 -5.390 8.742 692 HD13 LEU 82 HD13 LEU 82 -5.053 -3.878 9.652 693 HD21 LEU 82 HD21 LEU 82 -8.330 -4.556 7.050 694 HD22 LEU 82 HD22 LEU 82 -7.159 -5.866 7.218 695 HD23 LEU 82 HD23 LEU 82 -6.687 -4.355 6.442 696 H GLU 83 H GLU 83 -7.005 -1.770 10.755 697 HA GLU 83 HA GLU 83 -4.837 -2.398 12.541 698 HB2 GLU 83 HB2 GLU 83 -5.770 0.243 11.400 699 HB3 GLU 83 HB3 GLU 83 -4.299 0.024 12.334 700 HG2 GLU 83 HG2 GLU 83 -4.836 -1.444 9.773 701 HG3 GLU 83 HG3 GLU 83 -4.043 0.126 9.833 702 H ASP 84 H ASP 84 -7.864 -0.625 12.716 703 HA ASP 84 HA ASP 84 -7.390 0.151 15.485 704 HB2 ASP 84 HB2 ASP 84 -8.383 1.723 13.787 705 HB3 ASP 84 HB3 ASP 84 -9.808 0.690 13.755 706 H LYS 85 H LYS 85 -8.839 -2.322 13.712 707 HA LYS 85 HA LYS 85 -10.099 -4.115 14.201 708 HB2 LYS 85 HB2 LYS 85 -9.457 -3.323 17.042 709 HB3 LYS 85 HB3 LYS 85 -10.267 -4.820 16.593 710 HG2 LYS 85 HG2 LYS 85 -7.516 -3.974 15.706 711 HG3 LYS 85 HG3 LYS 85 -7.880 -5.178 16.955 712 HD2 LYS 85 HD2 LYS 85 -9.069 -6.520 15.257 713 HD3 LYS 85 HD3 LYS 85 -8.618 -5.338 14.031 714 HE2 LYS 85 HE2 LYS 85 -7.093 -7.172 13.886 715 HE3 LYS 85 HE3 LYS 85 -6.228 -5.796 14.567 716 HZ1 LYS 85 HZ1 LYS 85 -6.518 -6.756 16.770 717 HZ2 LYS 85 HZ2 LYS 85 -5.706 -7.829 15.740 718 HZ3 LYS 85 HZ3 LYS 85 -7.345 -8.080 16.104 719 H SER 86 H SER 86 -11.408 -1.878 13.498 720 HA SER 86 HA SER 86 -13.666 -1.418 15.221 721 HB2 SER 86 HB2 SER 86 -13.308 -0.654 12.313 722 HB3 SER 86 HB3 SER 86 -14.446 0.050 13.462 723 HG SER 86 HG SER 86 -12.329 0.483 14.690 724 H ASN 87 H ASN 87 -15.661 -2.343 15.083 725 HA ASN 87 HA ASN 87 -15.773 -4.956 14.008 726 HB2 ASN 87 HB2 ASN 87 -18.000 -5.073 14.903 727 HB3 ASN 87 HB3 ASN 87 -16.983 -4.212 16.050 728 HD21 ASN 87 HD21 ASN 87 -19.665 -4.020 13.883 729 HD22 ASN 87 HD22 ASN 87 -20.176 -2.424 14.321 730 H LEU 88 H LEU 88 -16.113 -2.131 12.340 731 HA LEU 88 HA LEU 88 -18.452 -2.575 10.849 732 HB2 LEU 88 HB2 LEU 88 -15.983 -0.976 10.201 733 HB3 LEU 88 HB3 LEU 88 -17.408 -1.005 9.179 734 HG LEU 88 HG LEU 88 -17.662 0.946 10.424 735 HD11 LEU 88 HD11 LEU 88 -19.168 -1.203 11.905 736 HD12 LEU 88 HD12 LEU 88 -19.690 -0.374 10.438 737 HD13 LEU 88 HD13 LEU 88 -19.539 0.521 11.952 738 HD21 LEU 88 HD21 LEU 88 -15.856 0.570 12.018 739 HD22 LEU 88 HD22 LEU 88 -16.857 -0.589 12.892 740 HD23 LEU 88 HD23 LEU 88 -17.320 1.112 12.838 741 H LEU 89 H LEU 89 -15.066 -3.513 10.231 742 HA LEU 89 HA LEU 89 -16.065 -5.136 7.985 743 HB2 LEU 89 HB2 LEU 89 -14.181 -3.809 7.378 744 HB3 LEU 89 HB3 LEU 89 -13.271 -4.326 8.781 745 HG LEU 89 HG LEU 89 -13.532 -6.688 7.724 746 HD11 LEU 89 HD11 LEU 89 -13.568 -6.685 5.309 747 HD12 LEU 89 HD12 LEU 89 -13.852 -4.946 5.311 748 HD13 LEU 89 HD13 LEU 89 -15.065 -6.038 5.978 749 HD21 LEU 89 HD21 LEU 89 -11.418 -6.380 6.591 750 HD22 LEU 89 HD22 LEU 89 -11.447 -5.490 8.115 751 HD23 LEU 89 HD23 LEU 89 -11.662 -4.633 6.588 752 H LEU 90 H LEU 90 -15.333 -5.389 11.219 753 HA LEU 90 HA LEU 90 -14.446 -8.183 10.982 754 HB2 LEU 90 HB2 LEU 90 -14.006 -6.331 13.310 755 HB3 LEU 90 HB3 LEU 90 -13.233 -7.880 13.013 756 HG LEU 90 HG LEU 90 -12.893 -5.545 11.149 757 HD11 LEU 90 HD11 LEU 90 -12.180 -4.788 13.304 758 HD12 LEU 90 HD12 LEU 90 -10.768 -5.108 12.297 759 HD13 LEU 90 HD13 LEU 90 -11.233 -6.257 13.554 760 HD21 LEU 90 HD21 LEU 90 -10.869 -6.727 10.489 761 HD22 LEU 90 HD22 LEU 90 -12.296 -7.743 10.274 762 HD23 LEU 90 HD23 LEU 90 -11.226 -8.007 11.650 763 H TYR 91 H TYR 91 -17.293 -7.003 11.278 764 HA TYR 91 HA TYR 91 -18.194 -7.812 13.843 765 HB2 TYR 91 HB2 TYR 91 -20.441 -7.565 12.980 766 HB3 TYR 91 HB3 TYR 91 -19.449 -6.228 12.415 767 HD1 TYR 91 HD2 TYR 91 -20.921 -9.488 11.367 768 HD2 TYR 91 HD1 TYR 91 -19.246 -5.769 10.124 769 HE1 TYR 91 HE2 TYR 91 -21.609 -9.951 9.062 770 HE2 TYR 91 HE1 TYR 91 -19.928 -6.233 7.809 771 HH TYR 91 HH TYR 91 -22.160 -8.552 6.983 772 H SER 92 H SER 92 -19.697 -9.551 14.292 773 HA SER 92 HA SER 92 -18.829 -12.050 13.132 774 HB2 SER 92 HB2 SER 92 -20.903 -11.577 15.286 775 HB3 SER 92 HB3 SER 92 -20.061 -13.087 14.934 776 HG SER 92 HG SER 92 -18.116 -11.491 15.339 777 H CYS 93 H CYS 93 -20.207 -13.550 12.125 778 HA CYS 93 HA CYS 93 -22.849 -12.689 11.226 779 HB2 CYS 93 HB2 CYS 93 -22.330 -12.785 8.919 780 HB3 CYS 93 HB3 CYS 93 -21.039 -11.820 9.640 781 H ASN 94 H ASN 94 -23.627 -14.472 9.547 782 HA ASN 94 HA ASN 94 -22.922 -17.088 10.699 783 HB2 ASN 94 HB2 ASN 94 -25.280 -16.453 10.981 784 HB3 ASN 94 HB3 ASN 94 -25.440 -16.239 9.241 785 HD21 ASN 94 HD21 ASN 94 -25.121 -18.518 11.835 786 HD22 ASN 94 HD22 ASN 94 -25.580 -19.923 10.927 787 H CYS 95 H CYS 95 -20.983 -16.911 9.146 788 HA CYS 95 HA CYS 95 -21.825 -18.047 6.571 789 HB2 CYS 95 HB2 CYS 95 -19.190 -17.023 7.563 790 HB3 CYS 95 HB3 CYS 95 -19.259 -18.108 6.181 791 H LYS 96 H LYS 96 -20.509 -18.948 9.640 792 HA LYS 96 HA LYS 96 -20.412 -21.729 8.707 793 HB2 LYS 96 HB2 LYS 96 -18.565 -22.158 10.305 794 HB3 LYS 96 HB3 LYS 96 -18.121 -21.045 9.023 795 HG2 LYS 96 HG2 LYS 96 -18.396 -19.163 10.554 796 HG3 LYS 96 HG3 LYS 96 -18.856 -20.280 11.841 797 HD2 LYS 96 HD2 LYS 96 -16.197 -20.265 10.404 798 HD3 LYS 96 HD3 LYS 96 -16.495 -19.586 12.004 799 HE2 LYS 96 HE2 LYS 96 -17.130 -21.808 12.822 800 HE3 LYS 96 HE3 LYS 96 -16.815 -22.484 11.222 801 HZ1 LYS 96 HZ1 LYS 96 -14.847 -21.301 13.106 802 HZ2 LYS 96 HZ2 LYS 96 -14.486 -21.644 11.488 803 HZ3 LYS 96 HZ3 LYS 96 -14.911 -22.898 12.541 804 H PHE 97 H PHE 97 -20.818 -19.579 11.485 805 HA PHE 97 HA PHE 97 -23.110 -21.058 12.360 806 HB2 PHE 97 HB2 PHE 97 -22.311 -21.616 14.587 807 HB3 PHE 97 HB3 PHE 97 -21.255 -22.372 13.402 808 HD1 PHE 97 HD1 PHE 97 -21.532 -19.456 15.686 809 HD2 PHE 97 HD2 PHE 97 -18.949 -21.979 13.439 810 HE1 PHE 97 HE1 PHE 97 -19.590 -18.413 16.763 811 HE2 PHE 97 HE2 PHE 97 -16.997 -20.939 14.510 812 HZ PHE 97 HZ PHE 97 -17.309 -19.158 16.175 813 H SER 98 H SER 98 -23.779 -19.987 14.633 814 HA SER 98 HA SER 98 -22.715 -17.466 15.284 815 HB2 SER 98 HB2 SER 98 -24.774 -16.118 14.640 816 HB3 SER 98 HB3 SER 98 -23.691 -16.573 13.323 817 HG SER 98 HG SER 98 -25.600 -18.465 13.791 818 H LYS 99 H LYS 99 -24.223 -16.246 16.754 819 HA LYS 99 HA LYS 99 -25.384 -18.181 18.623 820 HB2 LYS 99 HB2 LYS 99 -24.597 -15.318 19.170 821 HB3 LYS 99 HB3 LYS 99 -24.777 -16.636 20.327 822 HG2 LYS 99 HG2 LYS 99 -22.778 -17.630 19.706 823 HG3 LYS 99 HG3 LYS 99 -22.741 -16.810 18.146 824 HD2 LYS 99 HD2 LYS 99 -22.232 -15.593 20.855 825 HD3 LYS 99 HD3 LYS 99 -21.060 -15.875 19.567 826 HE2 LYS 99 HE2 LYS 99 -22.386 -14.316 18.129 827 HE3 LYS 99 HE3 LYS 99 -23.365 -13.934 19.545 828 HZ1 LYS 99 HZ1 LYS 99 -20.479 -13.389 19.128 829 HZ2 LYS 99 HZ2 LYS 99 -21.214 -13.287 20.651 830 HZ3 LYS 99 HZ3 LYS 99 -21.726 -12.271 19.402 831 H LYS 100 H LYS 100 -27.288 -17.325 19.921 832 HA LYS 100 HA LYS 100 -29.212 -16.182 18.098 833 HB2 LYS 100 HB2 LYS 100 -30.874 -16.607 19.776 834 HB3 LYS 100 HB3 LYS 100 -29.824 -18.008 19.677 835 HG2 LYS 100 HG2 LYS 100 -29.979 -17.845 21.924 836 HG3 LYS 100 HG3 LYS 100 -28.609 -16.764 21.683 837 HD2 LYS 100 HD2 LYS 100 -30.370 -15.865 23.214 838 HD3 LYS 100 HD3 LYS 100 -30.018 -14.831 21.829 839 HE2 LYS 100 HE2 LYS 100 -31.999 -15.487 20.713 840 HE3 LYS 100 HE3 LYS 100 -32.278 -16.816 21.837 841 HZ1 LYS 100 HZ1 LYS 100 -33.694 -14.787 22.145 842 HZ2 LYS 100 HZ2 LYS 100 -32.307 -13.971 22.679 843 HZ3 LYS 100 HZ3 LYS 100 -32.880 -15.321 23.532 844 H LYS 101 H LYS 101 -27.067 -15.070 20.458 845 HA LYS 101 HA LYS 101 -27.450 -12.384 19.822 846 HB2 LYS 101 HB2 LYS 101 -29.306 -13.193 21.700 847 HB3 LYS 101 HB3 LYS 101 -28.005 -12.550 22.697 848 HG2 LYS 101 HG2 LYS 101 -29.662 -10.838 22.171 849 HG3 LYS 101 HG3 LYS 101 -28.089 -10.446 21.467 850 HD2 LYS 101 HD2 LYS 101 -28.907 -11.538 19.346 851 HD3 LYS 101 HD3 LYS 101 -30.508 -11.571 20.080 852 HE2 LYS 101 HE2 LYS 101 -28.865 -9.082 19.634 853 HE3 LYS 101 HE3 LYS 101 -30.172 -9.629 18.587 854 HZ1 LYS 101 HZ1 LYS 101 -31.013 -7.974 20.055 855 HZ2 LYS 101 HZ2 LYS 101 -30.390 -8.766 21.421 856 HZ3 LYS 101 HZ3 LYS 101 -31.661 -9.465 20.544 Start of MODEL 17 1 H MET 1 H MET 1 -3.155 1.411 1.247 2 HA MET 1 HA MET 1 -1.140 0.701 0.182 3 HB2 MET 1 HB2 MET 1 0.223 2.645 0.684 4 HB3 MET 1 HB3 MET 1 -1.478 3.081 0.641 5 HG2 MET 1 HG2 MET 1 -1.544 3.085 3.078 6 HG3 MET 1 HG3 MET 1 0.159 2.628 3.128 7 HE1 MET 1 HE1 MET 1 0.206 6.362 4.335 8 HE2 MET 1 HE2 MET 1 0.722 4.715 4.701 9 HE3 MET 1 HE3 MET 1 -0.995 5.119 4.688 10 H LYS 2 H LYS 2 -1.407 -0.625 3.132 11 HA LYS 2 HA LYS 2 1.486 -1.177 3.314 12 HB2 LYS 2 HB2 LYS 2 -0.686 -1.626 5.375 13 HB3 LYS 2 HB3 LYS 2 1.001 -2.075 5.577 14 HG2 LYS 2 HG2 LYS 2 1.564 0.360 5.252 15 HG3 LYS 2 HG3 LYS 2 -0.164 0.688 5.378 16 HD2 LYS 2 HD2 LYS 2 1.490 -0.722 7.474 17 HD3 LYS 2 HD3 LYS 2 1.048 0.984 7.524 18 HE2 LYS 2 HE2 LYS 2 -1.298 0.409 7.657 19 HE3 LYS 2 HE3 LYS 2 -0.921 -1.303 7.463 20 HZ1 LYS 2 HZ1 LYS 2 -1.338 -0.669 9.794 21 HZ2 LYS 2 HZ2 LYS 2 -0.001 0.377 9.739 22 HZ3 LYS 2 HZ3 LYS 2 0.223 -1.293 9.562 23 H GLY 3 H GLY 3 1.607 -2.712 1.669 24 HA2 GLY 3 HA2 GLY 3 1.528 -4.854 0.811 25 HA3 GLY 3 HA3 GLY 3 0.753 -5.370 2.305 26 H ASP 4 H ASP 4 -0.619 -6.714 0.924 27 HA ASP 4 HA ASP 4 -2.526 -5.221 -0.711 28 HB2 ASP 4 HB2 ASP 4 -1.996 -8.178 -0.437 29 HB3 ASP 4 HB3 ASP 4 -3.341 -7.523 -1.366 30 H ILE 5 H ILE 5 -4.313 -4.531 0.134 31 HA ILE 5 HA ILE 5 -5.139 -5.192 2.765 32 HB ILE 5 HB ILE 5 -5.634 -3.115 1.030 33 HG12 ILE 5 HG12 ILE 5 -5.539 -2.898 3.426 34 HG13 ILE 5 HG13 ILE 5 -7.050 -2.207 2.851 35 HG21 ILE 5 HG21 ILE 5 -8.208 -4.654 1.331 36 HG22 ILE 5 HG22 ILE 5 -7.390 -4.210 -0.170 37 HG23 ILE 5 HG23 ILE 5 -8.107 -2.961 0.847 38 HD11 ILE 5 HD11 ILE 5 -6.732 -4.922 4.103 39 HD12 ILE 5 HD12 ILE 5 -8.245 -4.191 3.567 40 HD13 ILE 5 HD13 ILE 5 -7.345 -3.476 4.906 41 H GLU 6 H GLU 6 -5.952 -6.363 -0.389 42 HA GLU 6 HA GLU 6 -8.419 -7.578 0.191 43 HB2 GLU 6 HB2 GLU 6 -6.305 -8.262 -1.860 44 HB3 GLU 6 HB3 GLU 6 -7.887 -9.026 -1.799 45 HG2 GLU 6 HG2 GLU 6 -8.002 -7.348 -3.454 46 HG3 GLU 6 HG3 GLU 6 -8.900 -6.751 -2.062 47 H HIS 7 H HIS 7 -5.093 -8.651 0.565 48 HA HIS 7 HA HIS 7 -5.735 -11.315 1.299 49 HB2 HIS 7 HB2 HIS 7 -3.295 -9.639 1.913 50 HB3 HIS 7 HB3 HIS 7 -3.434 -11.355 2.281 51 HD1 HIS 7 HD1 HIS 7 -1.385 -9.948 0.207 52 HD2 HIS 7 HD2 HIS 7 -4.829 -12.095 -0.702 53 HE1 HIS 7 HE1 HIS 7 -1.082 -10.821 -2.148 54 H LYS 8 H LYS 8 -5.319 -8.315 3.096 55 HA LYS 8 HA LYS 8 -5.359 -9.418 5.690 56 HB2 LYS 8 HB2 LYS 8 -6.515 -6.716 5.027 57 HB3 LYS 8 HB3 LYS 8 -5.700 -7.219 6.499 58 HG2 LYS 8 HG2 LYS 8 -4.452 -6.734 3.811 59 HG3 LYS 8 HG3 LYS 8 -4.273 -5.753 5.264 60 HD2 LYS 8 HD2 LYS 8 -3.160 -7.622 6.383 61 HD3 LYS 8 HD3 LYS 8 -3.343 -8.602 4.924 62 HE2 LYS 8 HE2 LYS 8 -2.013 -6.953 3.680 63 HE3 LYS 8 HE3 LYS 8 -1.786 -6.036 5.171 64 HZ1 LYS 8 HZ1 LYS 8 -0.637 -7.922 6.134 65 HZ2 LYS 8 HZ2 LYS 8 0.115 -7.463 4.683 66 HZ3 LYS 8 HZ3 LYS 8 -0.887 -8.834 4.725 67 H VAL 9 H VAL 9 -7.972 -8.085 3.678 68 HA VAL 9 HA VAL 9 -9.992 -8.435 5.608 69 HB VAL 9 HB VAL 9 -10.227 -6.921 3.714 70 HG11 VAL 9 HG11 VAL 9 -9.205 -8.222 1.962 71 HG12 VAL 9 HG12 VAL 9 -10.837 -7.739 1.499 72 HG13 VAL 9 HG13 VAL 9 -10.524 -9.391 2.035 73 HG21 VAL 9 HG21 VAL 9 -12.566 -7.381 3.189 74 HG22 VAL 9 HG22 VAL 9 -12.220 -7.662 4.895 75 HG23 VAL 9 HG23 VAL 9 -12.375 -9.027 3.792 76 H TYR 10 H TYR 10 -8.762 -10.589 3.080 77 HA TYR 10 HA TYR 10 -10.725 -12.597 3.442 78 HB2 TYR 10 HB2 TYR 10 -7.841 -12.956 2.598 79 HB3 TYR 10 HB3 TYR 10 -9.119 -14.142 2.408 80 HD1 TYR 10 HD2 TYR 10 -11.063 -11.639 1.579 81 HD2 TYR 10 HD1 TYR 10 -7.396 -13.285 0.183 82 HE1 TYR 10 HE2 TYR 10 -11.521 -10.748 -0.666 83 HE2 TYR 10 HE1 TYR 10 -7.846 -12.397 -2.061 84 HH TYR 10 HH TYR 10 -10.280 -10.115 -2.677 85 H GLN 11 H GLN 11 -7.714 -11.823 5.051 86 HA GLN 11 HA GLN 11 -7.157 -14.284 6.239 87 HB2 GLN 11 HB2 GLN 11 -6.400 -11.475 6.946 88 HB3 GLN 11 HB3 GLN 11 -5.917 -12.813 7.978 89 HG2 GLN 11 HG2 GLN 11 -5.285 -12.608 5.044 90 HG3 GLN 11 HG3 GLN 11 -4.194 -12.119 6.340 91 HE21 GLN 11 HE21 GLN 11 -4.959 -14.320 8.088 92 HE22 GLN 11 HE22 GLN 11 -4.218 -15.738 7.430 93 H LEU 12 H LEU 12 -8.919 -11.539 7.610 94 HA LEU 12 HA LEU 12 -9.371 -13.052 10.047 95 HB2 LEU 12 HB2 LEU 12 -10.746 -10.763 10.452 96 HB3 LEU 12 HB3 LEU 12 -9.059 -10.999 10.834 97 HG LEU 12 HG LEU 12 -8.613 -10.078 8.452 98 HD11 LEU 12 HD11 LEU 12 -10.292 -8.500 7.661 99 HD12 LEU 12 HD12 LEU 12 -11.384 -8.999 8.952 100 HD13 LEU 12 HD13 LEU 12 -10.937 -10.143 7.685 101 HD21 LEU 12 HD21 LEU 12 -8.606 -7.796 9.325 102 HD22 LEU 12 HD22 LEU 12 -7.988 -8.945 10.512 103 HD23 LEU 12 HD23 LEU 12 -9.624 -8.305 10.671 104 H LEU 13 H LEU 13 -11.221 -11.870 7.317 105 HA LEU 13 HA LEU 13 -13.760 -12.396 8.418 106 HB2 LEU 13 HB2 LEU 13 -12.846 -12.247 5.562 107 HB3 LEU 13 HB3 LEU 13 -14.526 -12.456 6.026 108 HG LEU 13 HG LEU 13 -12.752 -10.085 6.526 109 HD11 LEU 13 HD11 LEU 13 -14.509 -8.905 5.326 110 HD12 LEU 13 HD12 LEU 13 -15.403 -10.415 5.141 111 HD13 LEU 13 HD13 LEU 13 -13.836 -10.215 4.356 112 HD21 LEU 13 HD21 LEU 13 -13.955 -10.563 8.582 113 HD22 LEU 13 HD22 LEU 13 -15.472 -10.657 7.688 114 HD23 LEU 13 HD23 LEU 13 -14.609 -9.122 7.801 115 H LYS 14 H LYS 14 -11.654 -14.391 6.376 116 HA LYS 14 HA LYS 14 -13.496 -16.556 6.261 117 HB2 LYS 14 HB2 LYS 14 -11.787 -17.792 5.183 118 HB3 LYS 14 HB3 LYS 14 -11.599 -16.128 4.651 119 HG2 LYS 14 HG2 LYS 14 -9.433 -16.589 5.054 120 HG3 LYS 14 HG3 LYS 14 -9.885 -16.091 6.683 121 HD2 LYS 14 HD2 LYS 14 -10.083 -18.360 7.401 122 HD3 LYS 14 HD3 LYS 14 -9.924 -18.955 5.746 123 HE2 LYS 14 HE2 LYS 14 -7.788 -17.451 7.253 124 HE3 LYS 14 HE3 LYS 14 -7.851 -19.205 7.079 125 HZ1 LYS 14 HZ1 LYS 14 -6.373 -18.004 5.467 126 HZ2 LYS 14 HZ2 LYS 14 -7.773 -17.363 4.753 127 HZ3 LYS 14 HZ3 LYS 14 -7.517 -19.036 4.763 128 H ASP 15 H ASP 15 -11.243 -15.477 8.607 129 HA ASP 15 HA ASP 15 -11.013 -17.898 10.103 130 HB2 ASP 15 HB2 ASP 15 -9.377 -16.110 10.379 131 HB3 ASP 15 HB3 ASP 15 -10.631 -15.014 10.936 132 H GLN 16 H GLN 16 -13.016 -15.000 10.357 133 HA GLN 16 HA GLN 16 -14.526 -15.840 12.608 134 HB2 GLN 16 HB2 GLN 16 -15.609 -14.001 10.482 135 HB3 GLN 16 HB3 GLN 16 -15.945 -13.999 12.206 136 HG2 GLN 16 HG2 GLN 16 -13.267 -13.532 12.132 137 HG3 GLN 16 HG3 GLN 16 -13.831 -12.721 10.678 138 HE21 GLN 16 HE21 GLN 16 -13.569 -10.696 11.355 139 HE22 GLN 16 HE22 GLN 16 -14.486 -9.957 12.624 140 H GLY 17 H GLY 17 -14.605 -16.623 9.284 141 HA2 GLY 17 HA2 GLY 17 -15.717 -18.629 8.592 142 HA3 GLY 17 HA3 GLY 17 -16.970 -18.286 9.774 143 H CYS 18 H CYS 18 -15.620 -15.902 7.568 144 HA CYS 18 HA CYS 18 -18.216 -15.949 6.151 145 HB2 CYS 18 HB2 CYS 18 -17.291 -13.790 7.299 146 HB3 CYS 18 HB3 CYS 18 -16.223 -13.705 5.898 147 H GLU 19 H GLU 19 -18.273 -16.408 4.005 148 HA GLU 19 HA GLU 19 -15.678 -16.414 2.560 149 HB2 GLU 19 HB2 GLU 19 -16.370 -18.265 1.262 150 HB3 GLU 19 HB3 GLU 19 -16.803 -18.680 2.913 151 HG2 GLU 19 HG2 GLU 19 -18.728 -17.544 0.897 152 HG3 GLU 19 HG3 GLU 19 -18.516 -19.262 1.203 153 H ASP 20 H ASP 20 -18.344 -14.667 2.941 154 HA ASP 20 HA ASP 20 -18.948 -14.280 0.108 155 HB2 ASP 20 HB2 ASP 20 -20.816 -14.981 1.597 156 HB3 ASP 20 HB3 ASP 20 -20.602 -13.491 2.512 157 H PHE 21 H PHE 21 -17.167 -12.910 -0.230 158 HA PHE 21 HA PHE 21 -17.773 -10.151 0.061 159 HB2 PHE 21 HB2 PHE 21 -15.515 -9.633 1.209 160 HB3 PHE 21 HB3 PHE 21 -16.858 -10.160 2.212 161 HD1 PHE 21 HD1 PHE 21 -13.630 -11.163 0.744 162 HD2 PHE 21 HD2 PHE 21 -16.783 -12.213 3.398 163 HE1 PHE 21 HE1 PHE 21 -12.237 -12.949 1.697 164 HE2 PHE 21 HE2 PHE 21 -15.398 -13.995 4.347 165 HZ PHE 21 HZ PHE 21 -13.118 -14.363 3.509 166 H GLY 22 H GLY 22 -16.447 -8.808 -1.236 167 HA2 GLY 22 HA2 GLY 22 -14.184 -9.802 -2.661 168 HA3 GLY 22 HA3 GLY 22 -15.634 -9.892 -3.651 169 H THR 23 H THR 23 -13.862 -8.355 -4.753 170 HA THR 23 HA THR 23 -14.316 -5.598 -3.839 171 HB THR 23 HB THR 23 -12.391 -5.098 -5.461 172 HG1 THR 23 HG1 THR 23 -11.170 -6.810 -6.132 173 HG21 THR 23 HG21 THR 23 -12.142 -5.068 -3.028 174 HG22 THR 23 HG22 THR 23 -10.699 -5.726 -3.802 175 HG23 THR 23 HG23 THR 23 -11.859 -6.809 -3.029 176 H LYS 24 H LYS 24 -14.893 -3.972 -5.341 177 HA LYS 24 HA LYS 24 -15.707 -4.906 -8.012 178 HB2 LYS 24 HB2 LYS 24 -17.784 -3.732 -7.916 179 HB3 LYS 24 HB3 LYS 24 -17.695 -4.720 -6.464 180 HG2 LYS 24 HG2 LYS 24 -17.099 -2.803 -5.135 181 HG3 LYS 24 HG3 LYS 24 -17.011 -1.788 -6.574 182 HD2 LYS 24 HD2 LYS 24 -19.488 -3.162 -5.550 183 HD3 LYS 24 HD3 LYS 24 -19.098 -1.460 -5.321 184 HE2 LYS 24 HE2 LYS 24 -19.174 -1.080 -7.704 185 HE3 LYS 24 HE3 LYS 24 -19.439 -2.796 -8.000 186 HZ1 LYS 24 HZ1 LYS 24 -21.580 -2.686 -7.064 187 HZ2 LYS 24 HZ2 LYS 24 -21.467 -1.318 -8.062 188 HZ3 LYS 24 HZ3 LYS 24 -21.305 -1.157 -6.382 189 H CYS 25 H CYS 25 -15.688 -3.293 -9.633 190 HA CYS 25 HA CYS 25 -14.772 -0.631 -8.841 191 HB2 CYS 25 HB2 CYS 25 -13.203 -0.617 -10.817 192 HB3 CYS 25 HB3 CYS 25 -12.712 -1.657 -9.485 193 HG CYS 25 HG CYS 25 -14.446 -3.005 -12.073 194 H VAL 26 H VAL 26 -16.821 0.144 -9.245 195 HA VAL 26 HA VAL 26 -17.911 -0.226 -11.938 196 HB VAL 26 HB VAL 26 -19.466 -0.615 -10.083 197 HG11 VAL 26 HG11 VAL 26 -18.502 0.882 -8.423 198 HG12 VAL 26 HG12 VAL 26 -20.221 1.207 -8.644 199 HG13 VAL 26 HG13 VAL 26 -19.022 2.281 -9.365 200 HG21 VAL 26 HG21 VAL 26 -21.295 0.848 -10.824 201 HG22 VAL 26 HG22 VAL 26 -20.377 0.192 -12.179 202 HG23 VAL 26 HG23 VAL 26 -20.128 1.863 -11.672 203 H ILE 27 H ILE 27 -18.045 1.422 -13.399 204 HA ILE 27 HA ILE 27 -16.580 3.832 -12.713 205 HB ILE 27 HB ILE 27 -17.655 2.798 -15.326 206 HG12 ILE 27 HG12 ILE 27 -14.852 3.432 -14.367 207 HG13 ILE 27 HG13 ILE 27 -15.555 1.818 -14.433 208 HG21 ILE 27 HG21 ILE 27 -16.245 5.421 -14.844 209 HG22 ILE 27 HG22 ILE 27 -17.965 5.240 -15.190 210 HG23 ILE 27 HG23 ILE 27 -16.768 4.780 -16.405 211 HD11 ILE 27 HD11 ILE 27 -14.070 2.252 -16.317 212 HD12 ILE 27 HD12 ILE 27 -15.084 3.613 -16.800 213 HD13 ILE 27 HD13 ILE 27 -15.729 1.972 -16.846 214 H GLU 28 H GLU 28 -17.445 5.704 -12.266 215 HA GLU 28 HA GLU 28 -20.303 6.116 -12.789 216 HB2 GLU 28 HB2 GLU 28 -18.491 7.113 -10.602 217 HB3 GLU 28 HB3 GLU 28 -19.988 7.958 -10.992 218 HG2 GLU 28 HG2 GLU 28 -21.139 5.715 -10.669 219 HG3 GLU 28 HG3 GLU 28 -19.626 5.173 -9.948 220 H GLU 29 H GLU 29 -20.379 7.084 -14.704 221 HA GLU 29 HA GLU 29 -18.344 8.972 -15.501 222 HB2 GLU 29 HB2 GLU 29 -19.497 9.013 -17.672 223 HB3 GLU 29 HB3 GLU 29 -19.136 7.375 -17.157 224 HG2 GLU 29 HG2 GLU 29 -21.832 8.662 -16.822 225 HG3 GLU 29 HG3 GLU 29 -21.370 7.716 -18.232 226 H VAL 30 H VAL 30 -18.439 11.064 -15.226 227 HA VAL 30 HA VAL 30 -20.894 12.233 -14.147 228 HB VAL 30 HB VAL 30 -18.100 13.401 -14.241 229 HG11 VAL 30 HG11 VAL 30 -19.866 15.076 -13.993 230 HG12 VAL 30 HG12 VAL 30 -18.905 14.928 -12.520 231 HG13 VAL 30 HG13 VAL 30 -20.507 14.195 -12.606 232 HG21 VAL 30 HG21 VAL 30 -17.894 12.737 -11.909 233 HG22 VAL 30 HG22 VAL 30 -18.168 11.327 -12.932 234 HG23 VAL 30 HG23 VAL 30 -19.488 11.986 -11.967 235 H LYS 31 H LYS 31 -21.666 14.272 -14.937 236 HA LYS 31 HA LYS 31 -22.280 15.787 -16.510 237 HB2 LYS 31 HB2 LYS 31 -19.803 16.226 -16.696 238 HB3 LYS 31 HB3 LYS 31 -19.751 15.063 -18.013 239 HG2 LYS 31 HG2 LYS 31 -19.830 17.299 -18.902 240 HG3 LYS 31 HG3 LYS 31 -21.336 16.459 -19.278 241 HD2 LYS 31 HD2 LYS 31 -21.943 18.643 -18.574 242 HD3 LYS 31 HD3 LYS 31 -22.323 17.560 -17.233 243 HE2 LYS 31 HE2 LYS 31 -21.269 19.478 -16.303 244 HE3 LYS 31 HE3 LYS 31 -20.099 18.160 -16.241 245 HZ1 LYS 31 HZ1 LYS 31 -19.058 20.185 -16.997 246 HZ2 LYS 31 HZ2 LYS 31 -20.177 20.336 -18.258 247 HZ3 LYS 31 HZ3 LYS 31 -19.073 19.053 -18.261 248 H SER 32 H SER 32 -22.731 12.820 -16.611 249 HA SER 32 HA SER 32 -23.147 12.335 -19.442 250 HB2 SER 32 HB2 SER 32 -22.391 10.521 -17.877 251 HB3 SER 32 HB3 SER 32 -23.970 10.609 -17.098 252 HG SER 32 HG SER 32 -23.294 9.697 -19.670 253 H SER 33 H SER 33 -24.731 13.612 -20.211 254 HA SER 33 HA SER 33 -27.362 13.387 -18.897 255 HB2 SER 33 HB2 SER 33 -26.232 15.787 -20.359 256 HB3 SER 33 HB3 SER 33 -27.862 15.668 -19.697 257 HG SER 33 HG SER 33 -26.904 15.385 -17.623 258 H HIS 34 H HIS 34 -25.508 12.988 -21.732 259 HA HIS 34 HA HIS 34 -27.971 12.544 -23.293 260 HB2 HIS 34 HB2 HIS 34 -25.233 13.285 -24.352 261 HB3 HIS 34 HB3 HIS 34 -26.681 13.025 -25.319 262 HD1 HIS 34 HD1 HIS 34 -24.752 15.727 -24.347 263 HD2 HIS 34 HD2 HIS 34 -28.818 14.925 -24.030 264 HE1 HIS 34 HE1 HIS 34 -25.902 17.967 -24.092 265 H LYS 35 H LYS 35 -27.687 10.862 -25.035 266 HA LYS 35 HA LYS 35 -25.778 8.775 -24.219 267 HB2 LYS 35 HB2 LYS 35 -28.664 8.300 -25.003 268 HB3 LYS 35 HB3 LYS 35 -27.474 7.046 -24.693 269 HG2 LYS 35 HG2 LYS 35 -28.578 7.080 -22.694 270 HG3 LYS 35 HG3 LYS 35 -27.286 8.235 -22.360 271 HD2 LYS 35 HD2 LYS 35 -28.868 10.063 -23.021 272 HD3 LYS 35 HD3 LYS 35 -30.146 8.847 -23.107 273 HE2 LYS 35 HE2 LYS 35 -29.680 8.276 -20.735 274 HE3 LYS 35 HE3 LYS 35 -28.520 9.602 -20.680 275 HZ1 LYS 35 HZ1 LYS 35 -30.453 11.053 -21.407 276 HZ2 LYS 35 HZ2 LYS 35 -30.478 10.475 -19.812 277 HZ3 LYS 35 HZ3 LYS 35 -31.455 9.744 -20.995 278 H THR 36 H THR 36 -24.548 8.105 -25.839 279 HA THR 36 HA THR 36 -25.567 8.376 -28.587 280 HB THR 36 HB THR 36 -23.790 10.003 -28.213 281 HG1 THR 36 HG1 THR 36 -22.804 9.574 -30.067 282 HG21 THR 36 HG21 THR 36 -21.534 9.361 -27.627 283 HG22 THR 36 HG22 THR 36 -22.021 7.671 -27.515 284 HG23 THR 36 HG23 THR 36 -22.656 8.849 -26.366 285 H LEU 37 H LEU 37 -23.519 6.912 -29.853 286 HA LEU 37 HA LEU 37 -24.738 4.345 -29.378 287 HB2 LEU 37 HB2 LEU 37 -22.860 5.340 -31.502 288 HB3 LEU 37 HB3 LEU 37 -23.415 3.682 -31.431 289 HG LEU 37 HG LEU 37 -25.787 4.644 -31.565 290 HD11 LEU 37 HD11 LEU 37 -25.983 6.823 -32.654 291 HD12 LEU 37 HD12 LEU 37 -24.243 7.059 -32.494 292 HD13 LEU 37 HD13 LEU 37 -25.255 6.959 -31.053 293 HD21 LEU 37 HD21 LEU 37 -23.892 4.906 -33.894 294 HD22 LEU 37 HD22 LEU 37 -25.650 4.835 -34.012 295 HD23 LEU 37 HD23 LEU 37 -24.753 3.449 -33.393 296 H LEU 38 H LEU 38 -23.589 4.220 -27.223 297 HA LEU 38 HA LEU 38 -22.007 1.947 -27.371 298 HB2 LEU 38 HB2 LEU 38 -19.854 2.585 -26.598 299 HB3 LEU 38 HB3 LEU 38 -20.198 3.551 -28.016 300 HG LEU 38 HG LEU 38 -20.514 4.607 -25.205 301 HD11 LEU 38 HD11 LEU 38 -18.332 5.629 -25.478 302 HD12 LEU 38 HD12 LEU 38 -18.139 4.842 -27.044 303 HD13 LEU 38 HD13 LEU 38 -18.209 3.874 -25.570 304 HD21 LEU 38 HD21 LEU 38 -20.538 6.743 -26.223 305 HD22 LEU 38 HD22 LEU 38 -21.685 5.743 -27.112 306 HD23 LEU 38 HD23 LEU 38 -20.093 6.076 -27.793 307 H ASN 39 H ASN 39 -20.600 2.207 -24.917 308 HA ASN 39 HA ASN 39 -22.413 1.516 -23.001 309 HB2 ASN 39 HB2 ASN 39 -19.855 1.484 -22.880 310 HB3 ASN 39 HB3 ASN 39 -19.971 3.164 -22.359 311 HD21 ASN 39 HD21 ASN 39 -20.800 3.630 -20.317 312 HD22 ASN 39 HD22 ASN 39 -21.006 2.409 -19.107 313 H THR 40 H THR 40 -21.022 4.776 -23.374 314 HA THR 40 HA THR 40 -23.527 5.918 -22.400 315 HB THR 40 HB THR 40 -21.123 7.191 -21.265 316 HG1 THR 40 HG1 THR 40 -22.011 5.010 -19.763 317 HG21 THR 40 HG21 THR 40 -23.429 7.914 -20.793 318 HG22 THR 40 HG22 THR 40 -22.580 7.413 -19.330 319 HG23 THR 40 HG23 THR 40 -23.761 6.337 -20.076 320 H GLU 41 H GLU 41 -20.327 7.330 -22.674 321 HA GLU 41 HA GLU 41 -20.829 8.623 -25.143 322 HB2 GLU 41 HB2 GLU 41 -22.025 10.085 -23.563 323 HB3 GLU 41 HB3 GLU 41 -20.572 10.202 -22.572 324 HG2 GLU 41 HG2 GLU 41 -19.410 11.348 -24.241 325 HG3 GLU 41 HG3 GLU 41 -20.648 10.992 -25.434 326 H LEU 42 H LEU 42 -19.031 7.702 -25.845 327 HA LEU 42 HA LEU 42 -16.668 7.058 -24.812 328 HB2 LEU 42 HB2 LEU 42 -17.283 6.773 -27.171 329 HB3 LEU 42 HB3 LEU 42 -17.014 8.481 -27.451 330 HG LEU 42 HG LEU 42 -14.612 8.156 -26.877 331 HD11 LEU 42 HD11 LEU 42 -13.722 5.876 -26.806 332 HD12 LEU 42 HD12 LEU 42 -15.364 5.235 -26.859 333 HD13 LEU 42 HD13 LEU 42 -14.832 6.182 -25.470 334 HD21 LEU 42 HD21 LEU 42 -15.641 6.398 -29.101 335 HD22 LEU 42 HD22 LEU 42 -14.013 7.062 -28.964 336 HD23 LEU 42 HD23 LEU 42 -15.389 8.139 -29.202 337 H HIS 43 H HIS 43 -15.076 7.946 -23.753 338 HA HIS 43 HA HIS 43 -13.461 9.363 -23.063 339 HB2 HIS 43 HB2 HIS 43 -14.292 10.932 -25.501 340 HB3 HIS 43 HB3 HIS 43 -12.963 11.416 -24.449 341 HD1 HIS 43 HD1 HIS 43 -13.058 10.190 -27.591 342 HD2 HIS 43 HD2 HIS 43 -11.485 8.551 -24.100 343 HE1 HIS 43 HE1 HIS 43 -11.299 8.523 -28.311 344 H LEU 44 H LEU 44 -16.309 9.633 -22.190 345 HA LEU 44 HA LEU 44 -16.610 12.402 -21.461 346 HB2 LEU 44 HB2 LEU 44 -18.529 10.844 -21.733 347 HB3 LEU 44 HB3 LEU 44 -17.960 9.932 -20.350 348 HG LEU 44 HG LEU 44 -18.317 11.938 -18.930 349 HD11 LEU 44 HD11 LEU 44 -18.110 13.652 -20.637 350 HD12 LEU 44 HD12 LEU 44 -19.667 13.779 -19.820 351 HD13 LEU 44 HD13 LEU 44 -19.571 13.065 -21.431 352 HD21 LEU 44 HD21 LEU 44 -19.999 10.201 -19.037 353 HD22 LEU 44 HD22 LEU 44 -20.704 10.938 -20.474 354 HD23 LEU 44 HD23 LEU 44 -20.772 11.783 -18.927 355 H THR 45 H THR 45 -16.539 13.159 -19.211 356 HA THR 45 HA THR 45 -14.223 12.249 -17.820 357 HB THR 45 HB THR 45 -16.359 14.064 -16.720 358 HG1 THR 45 HG1 THR 45 -14.060 14.905 -18.165 359 HG21 THR 45 HG21 THR 45 -14.465 15.048 -15.478 360 HG22 THR 45 HG22 THR 45 -13.393 13.841 -16.190 361 HG23 THR 45 HG23 THR 45 -14.687 13.340 -15.101 362 H LYS 46 H LYS 46 -14.322 10.288 -16.954 363 HA LYS 46 HA LYS 46 -16.667 9.627 -15.329 364 HB2 LYS 46 HB2 LYS 46 -16.807 7.542 -16.223 365 HB3 LYS 46 HB3 LYS 46 -16.055 8.351 -17.591 366 HG2 LYS 46 HG2 LYS 46 -14.560 6.813 -15.482 367 HG3 LYS 46 HG3 LYS 46 -15.048 6.163 -17.045 368 HD2 LYS 46 HD2 LYS 46 -13.571 7.554 -18.208 369 HD3 LYS 46 HD3 LYS 46 -13.376 8.642 -16.828 370 HE2 LYS 46 HE2 LYS 46 -12.205 6.957 -15.596 371 HE3 LYS 46 HE3 LYS 46 -12.479 5.775 -16.874 372 HZ1 LYS 46 HZ1 LYS 46 -10.782 8.206 -17.032 373 HZ2 LYS 46 HZ2 LYS 46 -11.155 7.230 -18.365 374 HZ3 LYS 46 HZ3 LYS 46 -10.265 6.593 -17.071 375 H TYR 47 H TYR 47 -16.288 8.233 -13.522 376 HA TYR 47 HA TYR 47 -13.575 8.504 -12.425 377 HB2 TYR 47 HB2 TYR 47 -16.250 8.978 -11.120 378 HB3 TYR 47 HB3 TYR 47 -14.818 8.620 -10.166 379 HD1 TYR 47 HD2 TYR 47 -15.831 10.959 -12.931 380 HD2 TYR 47 HD1 TYR 47 -13.681 10.403 -9.301 381 HE1 TYR 47 HE2 TYR 47 -15.218 13.337 -12.936 382 HE2 TYR 47 HE1 TYR 47 -13.067 12.779 -9.293 383 HH TYR 47 HH TYR 47 -12.883 14.646 -10.714 384 H TYR 48 H TYR 48 -12.752 6.797 -11.341 385 HA TYR 48 HA TYR 48 -14.105 4.262 -11.637 386 HB2 TYR 48 HB2 TYR 48 -11.368 5.089 -10.717 387 HB3 TYR 48 HB3 TYR 48 -11.961 3.466 -10.376 388 HD1 TYR 48 HD2 TYR 48 -13.025 5.121 -13.446 389 HD2 TYR 48 HD1 TYR 48 -10.144 2.515 -11.715 390 HE1 TYR 48 HE2 TYR 48 -12.352 4.387 -15.685 391 HE2 TYR 48 HE1 TYR 48 -9.459 1.776 -13.957 392 HH TYR 48 HH TYR 48 -10.502 1.665 -16.266 393 H GLY 49 H GLY 49 -15.736 3.982 -10.266 394 HA2 GLY 49 HA2 GLY 49 -15.519 4.827 -7.498 395 HA3 GLY 49 HA3 GLY 49 -16.927 4.103 -8.268 396 H PHE 50 H PHE 50 -13.695 3.410 -7.027 397 HA PHE 50 HA PHE 50 -13.991 0.579 -7.024 398 HB2 PHE 50 HB2 PHE 50 -12.031 2.524 -5.933 399 HB3 PHE 50 HB3 PHE 50 -12.101 0.952 -5.144 400 HD1 PHE 50 HD2 PHE 50 -11.638 -1.092 -6.431 401 HD2 PHE 50 HD1 PHE 50 -11.057 2.780 -8.089 402 HE1 PHE 50 HE2 PHE 50 -10.234 -2.066 -8.198 403 HE2 PHE 50 HE1 PHE 50 -9.666 1.819 -9.853 404 HZ PHE 50 HZ PHE 50 -9.242 -0.604 -9.915 405 H SER 51 H SER 51 -14.625 -0.798 -5.408 406 HA SER 51 HA SER 51 -15.286 0.219 -2.784 407 HB2 SER 51 HB2 SER 51 -17.498 -1.064 -4.390 408 HB3 SER 51 HB3 SER 51 -17.612 -0.271 -2.823 409 HG SER 51 HG SER 51 -16.611 1.481 -4.536 410 H PHE 52 H PHE 52 -15.828 -1.481 -1.281 411 HA PHE 52 HA PHE 52 -15.134 -4.177 -2.255 412 HB2 PHE 52 HB2 PHE 52 -13.493 -3.197 -0.602 413 HB3 PHE 52 HB3 PHE 52 -14.801 -3.158 0.577 414 HD1 PHE 52 HD2 PHE 52 -15.758 -5.254 1.442 415 HD2 PHE 52 HD1 PHE 52 -12.396 -5.236 -1.172 416 HE1 PHE 52 HE2 PHE 52 -15.275 -7.584 2.054 417 HE2 PHE 52 HE1 PHE 52 -11.914 -7.573 -0.567 418 HZ PHE 52 HZ PHE 52 -13.354 -8.748 1.050 419 H PHE 53 H PHE 53 -16.596 -5.677 -2.081 420 HA PHE 53 HA PHE 53 -19.177 -4.964 -0.927 421 HB2 PHE 53 HB2 PHE 53 -18.271 -6.587 -3.147 422 HB3 PHE 53 HB3 PHE 53 -19.402 -7.471 -2.127 423 HD1 PHE 53 HD1 PHE 53 -21.554 -6.174 -1.466 424 HD2 PHE 53 HD2 PHE 53 -19.085 -5.202 -4.787 425 HE1 PHE 53 HE1 PHE 53 -23.440 -4.995 -2.509 426 HE2 PHE 53 HE2 PHE 53 -20.980 -4.026 -5.845 427 HZ PHE 53 HZ PHE 53 -23.150 -3.911 -4.696 428 H ARG 54 H ARG 54 -20.233 -6.097 0.572 429 HA ARG 54 HA ARG 54 -19.041 -8.477 1.778 430 HB2 ARG 54 HB2 ARG 54 -17.998 -6.814 3.093 431 HB3 ARG 54 HB3 ARG 54 -19.445 -5.823 3.135 432 HG2 ARG 54 HG2 ARG 54 -19.125 -6.781 5.286 433 HG3 ARG 54 HG3 ARG 54 -20.525 -7.551 4.541 434 HD2 ARG 54 HD2 ARG 54 -19.339 -9.535 4.117 435 HD3 ARG 54 HD3 ARG 54 -17.780 -8.757 4.403 436 HE ARG 54 HE ARG 54 -19.697 -9.630 6.430 437 HH11 ARG 54 1HH1 ARG 54 -16.715 -8.042 5.608 438 HH12 ARG 54 2HH1 ARG 54 -16.071 -8.093 7.220 439 HH21 ARG 54 1HH2 ARG 54 -18.845 -9.715 8.602 440 HH22 ARG 54 2HH2 ARG 54 -17.268 -9.066 8.907 441 H HIS 55 H HIS 55 -20.795 -9.817 1.540 442 HA HIS 55 HA HIS 55 -22.906 -10.657 1.734 443 HB2 HIS 55 HB2 HIS 55 -22.747 -8.739 4.004 444 HB3 HIS 55 HB3 HIS 55 -24.333 -9.379 3.587 445 HD1 HIS 55 HD1 HIS 55 -24.906 -11.568 4.642 446 HD2 HIS 55 HD2 HIS 55 -20.803 -10.892 4.506 447 HE1 HIS 55 HE1 HIS 55 -23.820 -13.453 5.956 448 H GLY 56 H GLY 56 -22.418 -8.423 -0.142 449 HA2 GLY 56 HA2 GLY 56 -23.858 -7.493 -1.738 450 HA3 GLY 56 HA3 GLY 56 -25.213 -7.814 -0.665 451 H ASN 57 H ASN 57 -23.020 -6.397 1.266 452 HA ASN 57 HA ASN 57 -24.097 -3.707 0.750 453 HB2 ASN 57 HB2 ASN 57 -22.624 -4.505 3.253 454 HB3 ASN 57 HB3 ASN 57 -23.734 -3.162 3.018 455 HD21 ASN 57 HD21 ASN 57 -23.370 -6.471 3.751 456 HD22 ASN 57 HD22 ASN 57 -25.025 -6.803 4.154 457 H ILE 58 H ILE 58 -22.476 -1.970 1.536 458 HA ILE 58 HA ILE 58 -19.886 -2.576 0.273 459 HB ILE 58 HB ILE 58 -21.426 0.006 0.508 460 HG12 ILE 58 HG12 ILE 58 -21.934 -1.686 -1.327 461 HG13 ILE 58 HG13 ILE 58 -21.547 -0.053 -1.863 462 HG21 ILE 58 HG21 ILE 58 -19.080 0.476 0.969 463 HG22 ILE 58 HG22 ILE 58 -19.559 1.125 -0.600 464 HG23 ILE 58 HG23 ILE 58 -18.614 -0.362 -0.512 465 HD11 ILE 58 HD11 ILE 58 -19.601 -2.346 -1.803 466 HD12 ILE 58 HD12 ILE 58 -19.327 -0.735 -2.470 467 HD13 ILE 58 HD13 ILE 58 -20.499 -1.813 -3.226 468 H VAL 59 H VAL 59 -18.164 -2.622 1.529 469 HA VAL 59 HA VAL 59 -18.291 -1.372 4.189 470 HB VAL 59 HB VAL 59 -16.380 -3.445 3.089 471 HG11 VAL 59 HG11 VAL 59 -15.095 -2.034 4.528 472 HG12 VAL 59 HG12 VAL 59 -15.473 -3.509 5.427 473 HG13 VAL 59 HG13 VAL 59 -16.370 -2.022 5.745 474 HG21 VAL 59 HG21 VAL 59 -18.572 -4.317 3.698 475 HG22 VAL 59 HG22 VAL 59 -18.432 -3.583 5.296 476 HG23 VAL 59 HG23 VAL 59 -17.335 -4.882 4.821 477 H ALA 60 H ALA 60 -16.268 -1.593 1.289 478 HA ALA 60 HA ALA 60 -14.946 0.894 2.176 479 HB1 ALA 60 1HB ALA 60 -13.390 -1.004 2.041 480 HB2 ALA 60 HB2 ALA 60 -12.994 0.268 0.883 481 HB3 ALA 60 HB3 ALA 60 -13.799 -1.204 0.334 482 H TYR 61 H TYR 61 -14.874 2.593 0.797 483 HA TYR 61 HA TYR 61 -15.700 2.208 -1.964 484 HB2 TYR 61 HB2 TYR 61 -17.779 2.755 -0.721 485 HB3 TYR 61 HB3 TYR 61 -17.028 4.238 -0.145 486 HD1 TYR 61 HD1 TYR 61 -18.311 2.487 -3.113 487 HD2 TYR 61 HD2 TYR 61 -16.902 6.177 -1.554 488 HE1 TYR 61 HE1 TYR 61 -19.092 3.624 -5.141 489 HE2 TYR 61 HE2 TYR 61 -17.677 7.336 -3.578 490 HH TYR 61 HH TYR 61 -19.626 5.749 -5.996 491 H GLY 62 H GLY 62 -14.613 3.496 -3.327 492 HA2 GLY 62 HA2 GLY 62 -13.412 5.971 -2.413 493 HA3 GLY 62 HA3 GLY 62 -12.272 4.695 -2.824 494 H LYS 63 H LYS 63 -14.495 7.037 -4.028 495 HA LYS 63 HA LYS 63 -14.052 6.175 -6.771 496 HB2 LYS 63 HB2 LYS 63 -16.334 6.701 -6.184 497 HB3 LYS 63 HB3 LYS 63 -15.855 8.274 -5.568 498 HG2 LYS 63 HG2 LYS 63 -15.458 9.119 -7.709 499 HG3 LYS 63 HG3 LYS 63 -15.433 7.507 -8.433 500 HD2 LYS 63 HD2 LYS 63 -17.519 8.602 -8.956 501 HD3 LYS 63 HD3 LYS 63 -17.803 7.242 -7.867 502 HE2 LYS 63 HE2 LYS 63 -17.590 9.085 -6.016 503 HE3 LYS 63 HE3 LYS 63 -18.004 10.170 -7.346 504 HZ1 LYS 63 HZ1 LYS 63 -20.012 9.523 -6.264 505 HZ2 LYS 63 HZ2 LYS 63 -19.598 7.882 -6.333 506 HZ3 LYS 63 HZ3 LYS 63 -19.971 8.716 -7.759 507 H SER 64 H SER 64 -12.522 7.069 -7.981 508 HA SER 64 HA SER 64 -11.822 9.868 -7.621 509 HB2 SER 64 HB2 SER 64 -10.259 8.675 -6.125 510 HB3 SER 64 HB3 SER 64 -9.746 7.665 -7.476 511 HG SER 64 HG SER 64 -9.567 10.491 -7.560 512 H ARG 65 H ARG 65 -10.448 10.655 -9.409 513 HA ARG 65 HA ARG 65 -11.306 9.594 -11.919 514 HB2 ARG 65 HB2 ARG 65 -10.014 11.411 -12.903 515 HB3 ARG 65 HB3 ARG 65 -10.951 12.009 -11.543 516 HG2 ARG 65 HG2 ARG 65 -8.858 11.748 -10.151 517 HG3 ARG 65 HG3 ARG 65 -7.998 11.492 -11.669 518 HD2 ARG 65 HD2 ARG 65 -9.617 13.927 -10.932 519 HD3 ARG 65 HD3 ARG 65 -7.858 13.824 -10.963 520 HE ARG 65 HE ARG 65 -8.109 13.399 -13.411 521 HH11 ARG 65 1HH1 ARG 65 -10.605 15.092 -11.628 522 HH12 ARG 65 2HH1 ARG 65 -11.159 15.993 -13.009 523 HH21 ARG 65 1HH2 ARG 65 -8.821 14.593 -15.228 524 HH22 ARG 65 2HH2 ARG 65 -10.150 15.715 -15.056 525 H LYS 66 H LYS 66 -8.748 8.898 -9.818 526 HA LYS 66 HA LYS 66 -7.273 7.556 -11.979 527 HB2 LYS 66 HB2 LYS 66 -5.919 9.251 -10.880 528 HB3 LYS 66 HB3 LYS 66 -6.278 8.554 -9.307 529 HG2 LYS 66 HG2 LYS 66 -4.982 6.635 -9.750 530 HG3 LYS 66 HG3 LYS 66 -4.868 7.020 -11.467 531 HD2 LYS 66 HD2 LYS 66 -3.668 8.651 -9.234 532 HD3 LYS 66 HD3 LYS 66 -2.784 7.510 -10.250 533 HE2 LYS 66 HE2 LYS 66 -4.229 9.983 -11.195 534 HE3 LYS 66 HE3 LYS 66 -2.484 9.810 -11.022 535 HZ1 LYS 66 HZ1 LYS 66 -4.179 8.186 -12.850 536 HZ2 LYS 66 HZ2 LYS 66 -2.487 8.123 -12.726 537 HZ3 LYS 66 HZ3 LYS 66 -3.246 9.521 -13.317 538 H VAL 67 H VAL 67 -7.156 5.417 -11.948 539 HA VAL 67 HA VAL 67 -8.742 3.824 -10.318 540 HB VAL 67 HB VAL 67 -8.018 3.029 -12.467 541 HG11 VAL 67 HG11 VAL 67 -5.866 4.105 -12.611 542 HG12 VAL 67 HG12 VAL 67 -5.696 2.376 -12.918 543 HG13 VAL 67 HG13 VAL 67 -5.225 3.046 -11.356 544 HG21 VAL 67 HG21 VAL 67 -7.020 1.375 -10.169 545 HG22 VAL 67 HG22 VAL 67 -6.978 0.791 -11.830 546 HG23 VAL 67 HG23 VAL 67 -8.519 1.203 -11.085 547 H ALA 68 H ALA 68 -5.257 4.432 -10.107 548 HA ALA 68 HA ALA 68 -4.698 2.746 -7.949 549 HB1 ALA 68 1HB ALA 68 -2.981 3.662 -9.426 550 HB2 ALA 68 HB2 ALA 68 -2.624 4.008 -7.733 551 HB3 ALA 68 HB3 ALA 68 -3.277 5.274 -8.773 552 H ASN 69 H ASN 69 -5.683 6.149 -8.027 553 HA ASN 69 HA ASN 69 -5.273 6.598 -5.243 554 HB2 ASN 69 HB2 ASN 69 -5.389 8.407 -7.007 555 HB3 ASN 69 HB3 ASN 69 -7.128 8.143 -7.063 556 HD21 ASN 69 HD21 ASN 69 -7.634 10.178 -6.340 557 HD22 ASN 69 HD22 ASN 69 -7.349 10.699 -4.715 558 H ALA 70 H ALA 70 -8.152 6.039 -7.222 559 HA ALA 70 HA ALA 70 -10.119 5.981 -5.272 560 HB1 ALA 70 1HB ALA 70 -11.371 4.577 -6.840 561 HB2 ALA 70 HB2 ALA 70 -9.886 4.260 -7.741 562 HB3 ALA 70 HB3 ALA 70 -10.551 5.895 -7.680 563 H LYS 71 H LYS 71 -8.083 3.394 -6.468 564 HA LYS 71 HA LYS 71 -9.110 1.284 -4.936 565 HB2 LYS 71 HB2 LYS 71 -7.445 1.529 -7.000 566 HB3 LYS 71 HB3 LYS 71 -6.252 1.384 -5.725 567 HG2 LYS 71 HG2 LYS 71 -6.973 -0.776 -5.164 568 HG3 LYS 71 HG3 LYS 71 -8.441 -0.620 -6.134 569 HD2 LYS 71 HD2 LYS 71 -6.573 -1.968 -7.187 570 HD3 LYS 71 HD3 LYS 71 -7.214 -0.643 -8.164 571 HE2 LYS 71 HE2 LYS 71 -5.372 0.774 -7.536 572 HE3 LYS 71 HE3 LYS 71 -4.732 -0.473 -6.462 573 HZ1 LYS 71 HZ1 LYS 71 -4.980 -0.673 -9.422 574 HZ2 LYS 71 HZ2 LYS 71 -4.401 -1.900 -8.408 575 HZ3 LYS 71 HZ3 LYS 71 -3.540 -0.442 -8.556 576 H TYR 72 H TYR 72 -6.451 3.553 -4.415 577 HA TYR 72 HA TYR 72 -5.403 2.573 -2.030 578 HB2 TYR 72 HB2 TYR 72 -4.219 4.318 -3.106 579 HB3 TYR 72 HB3 TYR 72 -5.644 5.349 -3.178 580 HD1 TYR 72 HD2 TYR 72 -3.008 4.029 -0.943 581 HD2 TYR 72 HD1 TYR 72 -6.217 6.797 -1.371 582 HE1 TYR 72 HE2 TYR 72 -2.290 5.175 1.109 583 HE2 TYR 72 HE1 TYR 72 -5.502 7.950 0.680 584 HH TYR 72 HH TYR 72 -2.502 7.470 2.112 585 H ILE 73 H ILE 73 -8.034 4.864 -2.572 586 HA ILE 73 HA ILE 73 -8.596 5.534 0.064 587 HB ILE 73 HB ILE 73 -10.496 5.343 -2.274 588 HG12 ILE 73 HG12 ILE 73 -9.172 7.820 -1.186 589 HG13 ILE 73 HG13 ILE 73 -8.375 6.813 -2.390 590 HG21 ILE 73 HG21 ILE 73 -11.701 5.415 -0.151 591 HG22 ILE 73 HG22 ILE 73 -11.893 6.928 -1.039 592 HG23 ILE 73 HG23 ILE 73 -10.784 6.844 0.330 593 HD11 ILE 73 HD11 ILE 73 -9.495 8.662 -3.438 594 HD12 ILE 73 HD12 ILE 73 -11.025 8.189 -2.699 595 HD13 ILE 73 HD13 ILE 73 -10.261 7.143 -3.897 596 H MET 74 H MET 74 -10.254 3.077 -1.945 597 HA MET 74 HA MET 74 -11.919 2.154 0.117 598 HB2 MET 74 HB2 MET 74 -12.361 0.207 -1.280 599 HB3 MET 74 HB3 MET 74 -12.352 1.668 -2.259 600 HG2 MET 74 HG2 MET 74 -10.328 1.134 -3.249 601 HG3 MET 74 HG3 MET 74 -9.912 -0.025 -1.989 602 HE1 MET 74 HE1 MET 74 -9.145 -1.544 -4.054 603 HE2 MET 74 HE2 MET 74 -10.219 -2.945 -4.133 604 HE3 MET 74 HE3 MET 74 -9.733 -2.291 -2.564 605 H LYS 75 H LYS 75 -8.682 1.091 -0.897 606 HA LYS 75 HA LYS 75 -8.508 -1.184 0.737 607 HB2 LYS 75 HB2 LYS 75 -6.433 0.687 -0.384 608 HB3 LYS 75 HB3 LYS 75 -5.987 -0.690 0.614 609 HG2 LYS 75 HG2 LYS 75 -6.790 -2.235 -0.961 610 HG3 LYS 75 HG3 LYS 75 -7.689 -0.995 -1.839 611 HD2 LYS 75 HD2 LYS 75 -5.601 0.042 -2.537 612 HD3 LYS 75 HD3 LYS 75 -4.684 -1.165 -1.630 613 HE2 LYS 75 HE2 LYS 75 -6.623 -1.923 -3.787 614 HE3 LYS 75 HE3 LYS 75 -4.950 -1.506 -4.152 615 HZ1 LYS 75 HZ1 LYS 75 -5.034 -3.822 -3.964 616 HZ2 LYS 75 HZ2 LYS 75 -5.974 -3.788 -2.558 617 HZ3 LYS 75 HZ3 LYS 75 -4.345 -3.305 -2.507 618 H GLN 76 H GLN 76 -7.600 2.187 1.361 619 HA GLN 76 HA GLN 76 -6.582 1.834 3.949 620 HB2 GLN 76 HB2 GLN 76 -7.944 4.233 2.724 621 HB3 GLN 76 HB3 GLN 76 -7.048 4.257 4.236 622 HG2 GLN 76 HG2 GLN 76 -5.855 3.464 1.594 623 HG3 GLN 76 HG3 GLN 76 -5.799 5.094 2.257 624 HE21 GLN 76 HE21 GLN 76 -4.489 5.538 3.974 625 HE22 GLN 76 HE22 GLN 76 -3.271 4.455 4.545 626 H ARG 77 H ARG 77 -9.824 1.857 2.766 627 HA ARG 77 HA ARG 77 -11.157 2.624 5.141 628 HB2 ARG 77 HB2 ARG 77 -12.137 0.955 2.827 629 HB3 ARG 77 HB3 ARG 77 -13.160 1.615 4.099 630 HG2 ARG 77 HG2 ARG 77 -11.491 3.219 2.179 631 HG3 ARG 77 HG3 ARG 77 -13.235 2.974 2.082 632 HD2 ARG 77 HD2 ARG 77 -13.647 4.265 3.971 633 HD3 ARG 77 HD3 ARG 77 -11.992 4.103 4.555 634 HE ARG 77 HE ARG 77 -11.485 5.508 2.436 635 HH11 ARG 77 1HH1 ARG 77 -14.271 5.819 4.510 636 HH12 ARG 77 2HH1 ARG 77 -14.430 7.535 4.280 637 HH21 ARG 77 1HH2 ARG 77 -11.676 7.751 2.099 638 HH22 ARG 77 2HH2 ARG 77 -12.941 8.644 2.891 639 H LEU 78 H LEU 78 -11.002 -0.657 3.681 640 HA LEU 78 HA LEU 78 -11.843 -1.910 6.067 641 HB2 LEU 78 HB2 LEU 78 -9.997 -3.438 4.318 642 HB3 LEU 78 HB3 LEU 78 -11.471 -3.945 5.122 643 HG LEU 78 HG LEU 78 -12.555 -2.313 3.306 644 HD11 LEU 78 HD11 LEU 78 -11.402 -2.564 1.168 645 HD12 LEU 78 HD12 LEU 78 -10.051 -3.350 1.984 646 HD13 LEU 78 HD13 LEU 78 -10.417 -1.658 2.317 647 HD21 LEU 78 HD21 LEU 78 -12.959 -4.295 1.956 648 HD22 LEU 78 HD22 LEU 78 -13.083 -4.669 3.675 649 HD23 LEU 78 HD23 LEU 78 -11.640 -5.132 2.773 650 H LEU 79 H LEU 79 -8.667 -0.992 4.889 651 HA LEU 79 HA LEU 79 -7.019 -2.366 6.642 652 HB2 LEU 79 HB2 LEU 79 -5.959 -1.052 4.987 653 HB3 LEU 79 HB3 LEU 79 -6.788 0.410 5.503 654 HG LEU 79 HG LEU 79 -5.526 0.029 7.743 655 HD11 LEU 79 HD11 LEU 79 -3.785 -1.535 5.859 656 HD12 LEU 79 HD12 LEU 79 -4.678 -2.171 7.241 657 HD13 LEU 79 HD13 LEU 79 -3.355 -1.035 7.495 658 HD21 LEU 79 HD21 LEU 79 -4.172 1.016 5.252 659 HD22 LEU 79 HD22 LEU 79 -3.601 1.304 6.896 660 HD23 LEU 79 HD23 LEU 79 -5.162 1.944 6.382 661 H LYS 80 H LYS 80 -8.324 0.902 7.096 662 HA LYS 80 HA LYS 80 -7.379 1.223 9.697 663 HB2 LYS 80 HB2 LYS 80 -9.165 2.651 7.919 664 HB3 LYS 80 HB3 LYS 80 -9.749 2.703 9.575 665 HG2 LYS 80 HG2 LYS 80 -7.008 3.541 8.652 666 HG3 LYS 80 HG3 LYS 80 -8.342 4.620 9.057 667 HD2 LYS 80 HD2 LYS 80 -6.909 2.732 10.929 668 HD3 LYS 80 HD3 LYS 80 -6.802 4.492 10.922 669 HE2 LYS 80 HE2 LYS 80 -9.259 4.559 11.404 670 HE3 LYS 80 HE3 LYS 80 -9.209 2.807 11.597 671 HZ1 LYS 80 HZ1 LYS 80 -8.990 3.615 13.751 672 HZ2 LYS 80 HZ2 LYS 80 -7.973 4.888 13.290 673 HZ3 LYS 80 HZ3 LYS 80 -7.380 3.297 13.308 674 H LEU 81 H LEU 81 -10.186 -0.410 8.457 675 HA LEU 81 HA LEU 81 -11.581 -0.571 10.934 676 HB2 LEU 81 HB2 LEU 81 -11.819 -2.261 8.447 677 HB3 LEU 81 HB3 LEU 81 -12.931 -2.310 9.803 678 HG LEU 81 HG LEU 81 -12.436 0.069 8.012 679 HD11 LEU 81 HD11 LEU 81 -14.683 -0.311 7.208 680 HD12 LEU 81 HD12 LEU 81 -14.851 -1.711 8.266 681 HD13 LEU 81 HD13 LEU 81 -13.691 -1.743 6.938 682 HD21 LEU 81 HD21 LEU 81 -14.264 1.125 9.215 683 HD22 LEU 81 HD22 LEU 81 -12.943 0.724 10.313 684 HD23 LEU 81 HD23 LEU 81 -14.395 -0.277 10.276 685 H LEU 82 H LEU 82 -9.280 -2.705 9.267 686 HA LEU 82 HA LEU 82 -9.474 -4.682 11.361 687 HB2 LEU 82 HB2 LEU 82 -7.555 -5.767 10.161 688 HB3 LEU 82 HB3 LEU 82 -9.034 -5.585 9.244 689 HG LEU 82 HG LEU 82 -7.647 -3.326 8.542 690 HD11 LEU 82 HD11 LEU 82 -5.402 -4.135 7.886 691 HD12 LEU 82 HD12 LEU 82 -5.673 -5.585 8.856 692 HD13 LEU 82 HD13 LEU 82 -5.612 -4.002 9.633 693 HD21 LEU 82 HD21 LEU 82 -7.207 -4.564 6.436 694 HD22 LEU 82 HD22 LEU 82 -8.867 -4.694 7.015 695 HD23 LEU 82 HD23 LEU 82 -7.745 -6.039 7.241 696 H GLU 83 H GLU 83 -7.531 -1.883 10.712 697 HA GLU 83 HA GLU 83 -5.529 -2.493 12.688 698 HB2 GLU 83 HB2 GLU 83 -6.301 0.110 11.357 699 HB3 GLU 83 HB3 GLU 83 -4.912 -0.093 12.416 700 HG2 GLU 83 HG2 GLU 83 -5.273 -1.727 9.928 701 HG3 GLU 83 HG3 GLU 83 -4.501 -0.144 9.909 702 H ASP 84 H ASP 84 -8.552 -0.713 12.593 703 HA ASP 84 HA ASP 84 -8.239 0.307 15.300 704 HB2 ASP 84 HB2 ASP 84 -9.306 1.549 13.302 705 HB3 ASP 84 HB3 ASP 84 -10.704 0.517 13.570 706 H LYS 85 H LYS 85 -9.549 -2.377 13.692 707 HA LYS 85 HA LYS 85 -10.745 -4.190 14.315 708 HB2 LYS 85 HB2 LYS 85 -10.243 -3.157 17.115 709 HB3 LYS 85 HB3 LYS 85 -10.908 -4.740 16.730 710 HG2 LYS 85 HG2 LYS 85 -8.201 -3.763 15.841 711 HG3 LYS 85 HG3 LYS 85 -8.487 -4.773 17.261 712 HD2 LYS 85 HD2 LYS 85 -9.534 -5.673 14.614 713 HD3 LYS 85 HD3 LYS 85 -7.809 -5.831 14.940 714 HE2 LYS 85 HE2 LYS 85 -8.890 -7.890 15.525 715 HE3 LYS 85 HE3 LYS 85 -8.360 -7.093 17.002 716 HZ1 LYS 85 HZ1 LYS 85 -10.655 -6.294 17.304 717 HZ2 LYS 85 HZ2 LYS 85 -10.557 -7.983 17.296 718 HZ3 LYS 85 HZ3 LYS 85 -11.133 -7.167 15.931 719 H SER 86 H SER 86 -12.046 -1.849 13.543 720 HA SER 86 HA SER 86 -14.347 -1.398 15.188 721 HB2 SER 86 HB2 SER 86 -13.895 -0.683 12.278 722 HB3 SER 86 HB3 SER 86 -15.121 0.001 13.344 723 HG SER 86 HG SER 86 -12.907 0.399 14.619 724 H ASN 87 H ASN 87 -16.494 -2.066 14.745 725 HA ASN 87 HA ASN 87 -16.578 -4.803 13.881 726 HB2 ASN 87 HB2 ASN 87 -18.865 -4.809 14.654 727 HB3 ASN 87 HB3 ASN 87 -17.865 -3.970 15.831 728 HD21 ASN 87 HD21 ASN 87 -20.380 -3.656 13.451 729 HD22 ASN 87 HD22 ASN 87 -20.862 -2.044 13.878 730 H LEU 88 H LEU 88 -16.662 -2.070 12.090 731 HA LEU 88 HA LEU 88 -18.965 -2.426 10.498 732 HB2 LEU 88 HB2 LEU 88 -16.394 -0.964 9.939 733 HB3 LEU 88 HB3 LEU 88 -17.766 -0.954 8.847 734 HG LEU 88 HG LEU 88 -17.972 1.038 10.023 735 HD11 LEU 88 HD11 LEU 88 -19.678 -0.959 11.501 736 HD12 LEU 88 HD12 LEU 88 -20.068 -0.190 9.961 737 HD13 LEU 88 HD13 LEU 88 -19.956 0.783 11.429 738 HD21 LEU 88 HD21 LEU 88 -16.286 0.646 11.718 739 HD22 LEU 88 HD22 LEU 88 -17.362 -0.471 12.558 740 HD23 LEU 88 HD23 LEU 88 -17.772 1.241 12.459 741 H LEU 89 H LEU 89 -15.639 -3.605 10.133 742 HA LEU 89 HA LEU 89 -16.581 -5.159 7.809 743 HB2 LEU 89 HB2 LEU 89 -14.728 -3.777 7.191 744 HB3 LEU 89 HB3 LEU 89 -13.794 -4.289 8.580 745 HG LEU 89 HG LEU 89 -14.068 -6.655 7.493 746 HD11 LEU 89 HD11 LEU 89 -15.563 -5.883 5.719 747 HD12 LEU 89 HD12 LEU 89 -14.092 -6.631 5.097 748 HD13 LEU 89 HD13 LEU 89 -14.261 -4.877 5.089 749 HD21 LEU 89 HD21 LEU 89 -11.931 -6.320 6.395 750 HD22 LEU 89 HD22 LEU 89 -11.980 -5.507 7.961 751 HD23 LEU 89 HD23 LEU 89 -12.159 -4.574 6.474 752 H LEU 90 H LEU 90 -15.684 -5.364 11.031 753 HA LEU 90 HA LEU 90 -14.775 -8.143 10.774 754 HB2 LEU 90 HB2 LEU 90 -14.403 -6.289 13.110 755 HB3 LEU 90 HB3 LEU 90 -13.581 -7.812 12.812 756 HG LEU 90 HG LEU 90 -13.310 -5.458 10.961 757 HD11 LEU 90 HD11 LEU 90 -11.654 -6.152 13.374 758 HD12 LEU 90 HD12 LEU 90 -12.602 -4.685 13.103 759 HD13 LEU 90 HD13 LEU 90 -11.175 -5.011 12.119 760 HD21 LEU 90 HD21 LEU 90 -11.265 -6.582 10.284 761 HD22 LEU 90 HD22 LEU 90 -12.662 -7.638 10.072 762 HD23 LEU 90 HD23 LEU 90 -11.576 -7.878 11.441 763 H TYR 91 H TYR 91 -17.641 -6.906 11.178 764 HA TYR 91 HA TYR 91 -18.516 -7.865 13.696 765 HB2 TYR 91 HB2 TYR 91 -20.765 -7.557 12.871 766 HB3 TYR 91 HB3 TYR 91 -19.780 -6.208 12.319 767 HD1 TYR 91 HD2 TYR 91 -21.383 -9.376 11.260 768 HD2 TYR 91 HD1 TYR 91 -19.501 -5.769 10.001 769 HE1 TYR 91 HE2 TYR 91 -22.093 -9.815 8.960 770 HE2 TYR 91 HE1 TYR 91 -20.211 -6.203 7.689 771 HH TYR 91 HH TYR 91 -22.527 -8.553 6.890 772 H SER 92 H SER 92 -19.881 -9.695 14.112 773 HA SER 92 HA SER 92 -19.027 -12.059 12.683 774 HB2 SER 92 HB2 SER 92 -20.936 -11.811 15.020 775 HB3 SER 92 HB3 SER 92 -20.172 -13.291 14.441 776 HG SER 92 HG SER 92 -18.221 -11.590 14.864 777 H CYS 93 H CYS 93 -20.297 -13.348 11.435 778 HA CYS 93 HA CYS 93 -23.032 -12.449 10.816 779 HB2 CYS 93 HB2 CYS 93 -22.640 -12.554 8.495 780 HB3 CYS 93 HB3 CYS 93 -21.247 -11.684 9.142 781 H ASN 94 H ASN 94 -24.014 -14.206 9.234 782 HA ASN 94 HA ASN 94 -23.450 -16.800 10.507 783 HB2 ASN 94 HB2 ASN 94 -25.697 -15.794 10.899 784 HB3 ASN 94 HB3 ASN 94 -25.999 -15.877 9.168 785 HD21 ASN 94 HD21 ASN 94 -24.323 -18.301 11.089 786 HD22 ASN 94 HD22 ASN 94 -25.510 -19.549 10.877 787 H CYS 95 H CYS 95 -21.644 -16.706 8.595 788 HA CYS 95 HA CYS 95 -22.873 -18.028 6.310 789 HB2 CYS 95 HB2 CYS 95 -20.059 -17.134 6.857 790 HB3 CYS 95 HB3 CYS 95 -20.476 -18.157 5.483 791 H LYS 96 H LYS 96 -21.929 -18.906 9.334 792 HA LYS 96 HA LYS 96 -21.902 -21.701 8.622 793 HB2 LYS 96 HB2 LYS 96 -19.849 -22.195 9.944 794 HB3 LYS 96 HB3 LYS 96 -19.536 -21.291 8.473 795 HG2 LYS 96 HG2 LYS 96 -19.370 -19.229 9.796 796 HG3 LYS 96 HG3 LYS 96 -19.643 -20.165 11.265 797 HD2 LYS 96 HD2 LYS 96 -17.341 -20.555 9.352 798 HD3 LYS 96 HD3 LYS 96 -17.261 -19.674 10.878 799 HE2 LYS 96 HE2 LYS 96 -17.900 -21.726 12.069 800 HE3 LYS 96 HE3 LYS 96 -17.886 -22.599 10.535 801 HZ1 LYS 96 HZ1 LYS 96 -15.817 -22.896 11.748 802 HZ2 LYS 96 HZ2 LYS 96 -15.556 -21.221 11.763 803 HZ3 LYS 96 HZ3 LYS 96 -15.539 -22.064 10.295 804 H PHE 97 H PHE 97 -21.423 -19.364 11.230 805 HA PHE 97 HA PHE 97 -23.736 -20.403 12.623 806 HB2 PHE 97 HB2 PHE 97 -22.589 -20.614 14.782 807 HB3 PHE 97 HB3 PHE 97 -21.866 -21.715 13.615 808 HD1 PHE 97 HD1 PHE 97 -21.398 -18.446 15.299 809 HD2 PHE 97 HD2 PHE 97 -19.585 -21.608 13.114 810 HE1 PHE 97 HE1 PHE 97 -19.188 -17.490 15.767 811 HE2 PHE 97 HE2 PHE 97 -17.365 -20.659 13.580 812 HZ PHE 97 HZ PHE 97 -17.162 -18.598 14.906 813 H SER 98 H SER 98 -23.866 -18.836 14.761 814 HA SER 98 HA SER 98 -22.467 -16.416 14.764 815 HB2 SER 98 HB2 SER 98 -24.247 -14.848 14.013 816 HB3 SER 98 HB3 SER 98 -23.617 -15.850 12.705 817 HG SER 98 HG SER 98 -25.540 -17.266 13.496 818 H LYS 99 H LYS 99 -23.570 -14.746 16.099 819 HA LYS 99 HA LYS 99 -24.802 -16.098 18.368 820 HB2 LYS 99 HB2 LYS 99 -23.654 -13.311 18.241 821 HB3 LYS 99 HB3 LYS 99 -23.913 -14.314 19.668 822 HG2 LYS 99 HG2 LYS 99 -22.121 -15.699 19.186 823 HG3 LYS 99 HG3 LYS 99 -22.105 -15.244 17.482 824 HD2 LYS 99 HD2 LYS 99 -21.277 -13.506 19.796 825 HD3 LYS 99 HD3 LYS 99 -20.207 -14.317 18.651 826 HE2 LYS 99 HE2 LYS 99 -21.118 -13.004 16.829 827 HE3 LYS 99 HE3 LYS 99 -22.246 -12.218 17.935 828 HZ1 LYS 99 HZ1 LYS 99 -19.294 -12.059 18.189 829 HZ2 LYS 99 HZ2 LYS 99 -20.445 -11.181 19.070 830 HZ3 LYS 99 HZ3 LYS 99 -20.241 -10.888 17.412 831 H LYS 100 H LYS 100 -26.865 -16.205 17.437 832 HA LYS 100 HA LYS 100 -28.201 -13.732 16.674 833 HB2 LYS 100 HB2 LYS 100 -28.470 -15.682 15.232 834 HB3 LYS 100 HB3 LYS 100 -29.080 -16.624 16.583 835 HG2 LYS 100 HG2 LYS 100 -31.017 -15.097 16.728 836 HG3 LYS 100 HG3 LYS 100 -30.419 -14.256 15.296 837 HD2 LYS 100 HD2 LYS 100 -32.147 -15.883 14.718 838 HD3 LYS 100 HD3 LYS 100 -30.594 -16.320 14.001 839 HE2 LYS 100 HE2 LYS 100 -30.218 -17.879 15.894 840 HE3 LYS 100 HE3 LYS 100 -31.833 -17.499 16.490 841 HZ1 LYS 100 HZ1 LYS 100 -31.254 -18.654 13.817 842 HZ2 LYS 100 HZ2 LYS 100 -32.786 -18.406 14.503 843 HZ3 LYS 100 HZ3 LYS 100 -31.732 -19.554 15.173 844 H LYS 101 H LYS 101 -28.558 -16.391 18.985 845 HA LYS 101 HA LYS 101 -30.586 -14.927 20.415 846 HB2 LYS 101 HB2 LYS 101 -30.596 -17.472 19.947 847 HB3 LYS 101 HB3 LYS 101 -29.407 -17.569 21.240 848 HG2 LYS 101 HG2 LYS 101 -31.692 -18.011 22.013 849 HG3 LYS 101 HG3 LYS 101 -30.966 -16.605 22.804 850 HD2 LYS 101 HD2 LYS 101 -32.111 -15.168 21.117 851 HD3 LYS 101 HD3 LYS 101 -32.943 -16.606 20.532 852 HE2 LYS 101 HE2 LYS 101 -34.037 -16.910 22.638 853 HE3 LYS 101 HE3 LYS 101 -33.059 -15.652 23.387 854 HZ1 LYS 101 HZ1 LYS 101 -34.105 -14.059 21.815 855 HZ2 LYS 101 HZ2 LYS 101 -35.182 -14.747 22.926 856 HZ3 LYS 101 HZ3 LYS 101 -35.155 -15.296 21.324 Start of MODEL 18 1 H MET 1 H MET 1 2.630 1.006 -0.197 2 HA MET 1 HA MET 1 3.756 2.203 1.533 3 HB2 MET 1 HB2 MET 1 2.312 4.153 1.655 4 HB3 MET 1 HB3 MET 1 0.974 3.166 2.230 5 HG2 MET 1 HG2 MET 1 2.282 2.642 4.259 6 HG3 MET 1 HG3 MET 1 3.548 3.728 3.690 7 HE1 MET 1 HE1 MET 1 1.902 5.676 6.686 8 HE2 MET 1 HE2 MET 1 3.385 4.962 6.054 9 HE3 MET 1 HE3 MET 1 2.053 3.924 6.560 10 H LYS 2 H LYS 2 0.454 1.096 2.329 11 HA LYS 2 HA LYS 2 1.517 -0.614 4.415 12 HB2 LYS 2 HB2 LYS 2 -0.578 0.646 4.773 13 HB3 LYS 2 HB3 LYS 2 -1.329 -0.238 3.453 14 HG2 LYS 2 HG2 LYS 2 -2.085 -1.228 5.462 15 HG3 LYS 2 HG3 LYS 2 -0.918 -2.345 4.754 16 HD2 LYS 2 HD2 LYS 2 -0.463 -2.232 7.092 17 HD3 LYS 2 HD3 LYS 2 0.816 -1.338 6.267 18 HE2 LYS 2 HE2 LYS 2 -0.331 0.764 6.765 19 HE3 LYS 2 HE3 LYS 2 -1.618 -0.123 7.579 20 HZ1 LYS 2 HZ1 LYS 2 -0.173 0.683 9.234 21 HZ2 LYS 2 HZ2 LYS 2 1.212 0.149 8.420 22 HZ3 LYS 2 HZ3 LYS 2 0.150 -0.979 9.116 23 H GLY 3 H GLY 3 -0.068 -0.959 1.279 24 HA2 GLY 3 HA2 GLY 3 0.889 -2.896 -0.011 25 HA3 GLY 3 HA3 GLY 3 0.496 -3.850 1.413 26 H ASP 4 H ASP 4 -0.840 -5.199 0.162 27 HA ASP 4 HA ASP 4 -3.147 -4.021 -1.151 28 HB2 ASP 4 HB2 ASP 4 -2.253 -6.896 -0.875 29 HB3 ASP 4 HB3 ASP 4 -3.684 -6.381 -1.761 30 H ILE 5 H ILE 5 -4.843 -3.489 0.014 31 HA ILE 5 HA ILE 5 -5.374 -4.473 2.621 32 HB ILE 5 HB ILE 5 -6.148 -2.232 1.626 33 HG12 ILE 5 HG12 ILE 5 -8.112 -2.142 3.037 34 HG13 ILE 5 HG13 ILE 5 -8.270 -3.895 2.993 35 HG21 ILE 5 HG21 ILE 5 -8.345 -3.997 0.540 36 HG22 ILE 5 HG22 ILE 5 -7.158 -3.108 -0.418 37 HG23 ILE 5 HG23 ILE 5 -8.350 -2.231 0.543 38 HD11 ILE 5 HD11 ILE 5 -5.922 -2.451 4.173 39 HD12 ILE 5 HD12 ILE 5 -6.297 -4.176 4.277 40 HD13 ILE 5 HD13 ILE 5 -7.328 -2.995 5.087 41 H GLU 6 H GLU 6 -6.200 -5.462 -0.564 42 HA GLU 6 HA GLU 6 -8.514 -6.960 -0.047 43 HB2 GLU 6 HB2 GLU 6 -6.410 -7.552 -2.138 44 HB3 GLU 6 HB3 GLU 6 -8.089 -8.072 -2.161 45 HG2 GLU 6 HG2 GLU 6 -8.242 -6.310 -3.568 46 HG3 GLU 6 HG3 GLU 6 -8.520 -5.467 -2.044 47 H HIS 7 H HIS 7 -5.091 -7.794 0.045 48 HA HIS 7 HA HIS 7 -5.383 -10.486 0.767 49 HB2 HIS 7 HB2 HIS 7 -3.214 -8.454 1.145 50 HB3 HIS 7 HB3 HIS 7 -3.104 -9.997 1.985 51 HD1 HIS 7 HD1 HIS 7 -2.896 -8.492 -1.448 52 HD2 HIS 7 HD2 HIS 7 -2.624 -12.209 0.389 53 HE1 HIS 7 HE1 HIS 7 -1.928 -10.063 -3.170 54 H LYS 8 H LYS 8 -5.102 -7.562 2.754 55 HA LYS 8 HA LYS 8 -5.037 -8.821 5.252 56 HB2 LYS 8 HB2 LYS 8 -6.373 -6.159 4.826 57 HB3 LYS 8 HB3 LYS 8 -5.431 -6.704 6.203 58 HG2 LYS 8 HG2 LYS 8 -4.383 -6.003 3.475 59 HG3 LYS 8 HG3 LYS 8 -4.207 -5.059 4.955 60 HD2 LYS 8 HD2 LYS 8 -2.909 -6.887 5.948 61 HD3 LYS 8 HD3 LYS 8 -3.070 -7.804 4.446 62 HE2 LYS 8 HE2 LYS 8 -1.928 -5.989 3.244 63 HE3 LYS 8 HE3 LYS 8 -1.721 -5.132 4.774 64 HZ1 LYS 8 HZ1 LYS 8 -0.611 -7.823 4.167 65 HZ2 LYS 8 HZ2 LYS 8 -0.367 -6.940 5.593 66 HZ3 LYS 8 HZ3 LYS 8 0.272 -6.374 4.129 67 H VAL 9 H VAL 9 -7.805 -7.457 3.475 68 HA VAL 9 HA VAL 9 -9.687 -8.036 5.476 69 HB VAL 9 HB VAL 9 -10.171 -6.402 3.775 70 HG11 VAL 9 HG11 VAL 9 -10.813 -7.072 1.488 71 HG12 VAL 9 HG12 VAL 9 -10.232 -8.700 1.842 72 HG13 VAL 9 HG13 VAL 9 -9.106 -7.340 1.845 73 HG21 VAL 9 HG21 VAL 9 -12.048 -7.475 4.899 74 HG22 VAL 9 HG22 VAL 9 -12.103 -8.706 3.639 75 HG23 VAL 9 HG23 VAL 9 -12.470 -7.028 3.245 76 H TYR 10 H TYR 10 -8.621 -9.959 2.671 77 HA TYR 10 HA TYR 10 -10.557 -12.012 3.076 78 HB2 TYR 10 HB2 TYR 10 -7.852 -12.279 1.746 79 HB3 TYR 10 HB3 TYR 10 -9.194 -13.399 1.600 80 HD1 TYR 10 HD2 TYR 10 -11.127 -10.761 1.449 81 HD2 TYR 10 HD1 TYR 10 -7.809 -12.278 -0.740 82 HE1 TYR 10 HE2 TYR 10 -11.890 -9.537 -0.542 83 HE2 TYR 10 HE1 TYR 10 -8.561 -11.056 -2.737 84 HH TYR 10 HH TYR 10 -10.886 -8.617 -2.630 85 H GLN 11 H GLN 11 -7.426 -11.287 4.407 86 HA GLN 11 HA GLN 11 -6.656 -13.818 5.298 87 HB2 GLN 11 HB2 GLN 11 -5.991 -11.072 6.296 88 HB3 GLN 11 HB3 GLN 11 -5.355 -12.509 7.080 89 HG2 GLN 11 HG2 GLN 11 -4.926 -11.716 4.210 90 HG3 GLN 11 HG3 GLN 11 -3.755 -11.587 5.521 91 HE21 GLN 11 HE21 GLN 11 -5.352 -13.716 3.303 92 HE22 GLN 11 HE22 GLN 11 -4.372 -15.110 3.619 93 H LEU 12 H LEU 12 -8.475 -11.313 7.008 94 HA LEU 12 HA LEU 12 -8.751 -13.101 9.281 95 HB2 LEU 12 HB2 LEU 12 -10.170 -10.919 10.008 96 HB3 LEU 12 HB3 LEU 12 -8.462 -11.147 10.296 97 HG LEU 12 HG LEU 12 -8.142 -9.937 8.026 98 HD11 LEU 12 HD11 LEU 12 -10.484 -9.982 7.341 99 HD12 LEU 12 HD12 LEU 12 -9.895 -8.326 7.499 100 HD13 LEU 12 HD13 LEU 12 -10.922 -9.020 8.754 101 HD21 LEU 12 HD21 LEU 12 -8.183 -7.767 9.162 102 HD22 LEU 12 HD22 LEU 12 -7.461 -9.023 10.169 103 HD23 LEU 12 HD23 LEU 12 -9.110 -8.481 10.481 104 H LEU 13 H LEU 13 -10.837 -11.546 6.880 105 HA LEU 13 HA LEU 13 -13.267 -12.299 8.047 106 HB2 LEU 13 HB2 LEU 13 -12.560 -11.742 5.187 107 HB3 LEU 13 HB3 LEU 13 -14.196 -12.098 5.704 108 HG LEU 13 HG LEU 13 -12.512 -9.710 6.396 109 HD11 LEU 13 HD11 LEU 13 -14.420 -8.505 5.482 110 HD12 LEU 13 HD12 LEU 13 -15.247 -10.035 5.181 111 HD13 LEU 13 HD13 LEU 13 -13.761 -9.652 4.312 112 HD21 LEU 13 HD21 LEU 13 -15.118 -10.549 7.660 113 HD22 LEU 13 HD22 LEU 13 -14.280 -9.019 7.922 114 HD23 LEU 13 HD23 LEU 13 -13.545 -10.533 8.455 115 H LYS 14 H LYS 14 -11.344 -14.014 5.594 116 HA LYS 14 HA LYS 14 -13.222 -16.138 5.362 117 HB2 LYS 14 HB2 LYS 14 -11.727 -17.173 3.919 118 HB3 LYS 14 HB3 LYS 14 -11.328 -15.474 3.727 119 HG2 LYS 14 HG2 LYS 14 -9.423 -15.766 5.246 120 HG3 LYS 14 HG3 LYS 14 -9.812 -17.485 5.377 121 HD2 LYS 14 HD2 LYS 14 -9.511 -17.733 2.963 122 HD3 LYS 14 HD3 LYS 14 -9.117 -16.018 2.835 123 HE2 LYS 14 HE2 LYS 14 -7.089 -17.324 2.830 124 HE3 LYS 14 HE3 LYS 14 -7.185 -16.381 4.314 125 HZ1 LYS 14 HZ1 LYS 14 -7.736 -18.281 5.558 126 HZ2 LYS 14 HZ2 LYS 14 -6.465 -18.764 4.542 127 HZ3 LYS 14 HZ3 LYS 14 -8.057 -19.206 4.173 128 H ASP 15 H ASP 15 -10.708 -15.402 7.585 129 HA ASP 15 HA ASP 15 -10.400 -18.026 8.692 130 HB2 ASP 15 HB2 ASP 15 -8.731 -16.120 8.819 131 HB3 ASP 15 HB3 ASP 15 -9.781 -15.388 10.022 132 H GLN 16 H GLN 16 -12.351 -15.191 9.351 133 HA GLN 16 HA GLN 16 -13.518 -16.146 11.778 134 HB2 GLN 16 HB2 GLN 16 -14.751 -14.138 9.886 135 HB3 GLN 16 HB3 GLN 16 -15.046 -14.308 11.608 136 HG2 GLN 16 HG2 GLN 16 -12.423 -13.824 11.640 137 HG3 GLN 16 HG3 GLN 16 -12.861 -12.990 10.156 138 HE21 GLN 16 HE21 GLN 16 -12.569 -10.980 10.878 139 HE22 GLN 16 HE22 GLN 16 -13.540 -10.221 12.088 140 H GLY 17 H GLY 17 -13.858 -17.096 8.605 141 HA2 GLY 17 HA2 GLY 17 -15.187 -18.935 7.955 142 HA3 GLY 17 HA3 GLY 17 -16.293 -18.564 9.272 143 H CYS 18 H CYS 18 -15.168 -16.003 7.205 144 HA CYS 18 HA CYS 18 -17.821 -16.000 5.902 145 HB2 CYS 18 HB2 CYS 18 -16.944 -13.945 7.227 146 HB3 CYS 18 HB3 CYS 18 -15.892 -13.682 5.836 147 H GLU 19 H GLU 19 -17.983 -16.167 3.697 148 HA GLU 19 HA GLU 19 -15.447 -15.960 2.176 149 HB2 GLU 19 HB2 GLU 19 -16.122 -17.715 0.709 150 HB3 GLU 19 HB3 GLU 19 -16.325 -18.304 2.352 151 HG2 GLU 19 HG2 GLU 19 -18.560 -17.208 0.667 152 HG3 GLU 19 HG3 GLU 19 -18.167 -18.917 0.806 153 H ASP 20 H ASP 20 -18.335 -14.532 2.713 154 HA ASP 20 HA ASP 20 -18.910 -13.899 -0.066 155 HB2 ASP 20 HB2 ASP 20 -20.761 -14.679 1.395 156 HB3 ASP 20 HB3 ASP 20 -20.522 -13.258 2.406 157 H PHE 21 H PHE 21 -17.145 -12.511 -0.357 158 HA PHE 21 HA PHE 21 -17.802 -9.772 0.018 159 HB2 PHE 21 HB2 PHE 21 -15.590 -9.215 1.200 160 HB3 PHE 21 HB3 PHE 21 -16.895 -9.861 2.187 161 HD1 PHE 21 HD1 PHE 21 -13.645 -10.631 0.629 162 HD2 PHE 21 HD2 PHE 21 -16.700 -11.949 3.275 163 HE1 PHE 21 HE1 PHE 21 -12.157 -12.405 1.461 164 HE2 PHE 21 HE2 PHE 21 -15.229 -13.720 4.108 165 HZ PHE 21 HZ PHE 21 -12.945 -13.955 3.208 166 H GLY 22 H GLY 22 -15.933 -8.353 -0.824 167 HA2 GLY 22 HA2 GLY 22 -13.732 -9.144 -2.199 168 HA3 GLY 22 HA3 GLY 22 -15.037 -9.502 -3.321 169 H THR 23 H THR 23 -13.076 -7.687 -4.005 170 HA THR 23 HA THR 23 -14.195 -5.031 -3.504 171 HB THR 23 HB THR 23 -12.172 -4.279 -4.858 172 HG1 THR 23 HG1 THR 23 -11.939 -6.878 -5.257 173 HG21 THR 23 HG21 THR 23 -11.674 -5.766 -2.285 174 HG22 THR 23 HG22 THR 23 -12.282 -4.114 -2.423 175 HG23 THR 23 HG23 THR 23 -10.649 -4.504 -2.967 176 H LYS 24 H LYS 24 -15.218 -3.839 -5.017 177 HA LYS 24 HA LYS 24 -15.357 -4.985 -7.720 178 HB2 LYS 24 HB2 LYS 24 -17.533 -4.070 -8.001 179 HB3 LYS 24 HB3 LYS 24 -17.529 -4.879 -6.447 180 HG2 LYS 24 HG2 LYS 24 -18.657 -2.965 -5.933 181 HG3 LYS 24 HG3 LYS 24 -17.009 -2.473 -5.539 182 HD2 LYS 24 HD2 LYS 24 -16.796 -1.222 -7.516 183 HD3 LYS 24 HD3 LYS 24 -18.195 -1.997 -8.259 184 HE2 LYS 24 HE2 LYS 24 -18.294 -0.152 -5.872 185 HE3 LYS 24 HE3 LYS 24 -18.642 0.323 -7.530 186 HZ1 LYS 24 HZ1 LYS 24 -20.440 -1.346 -7.540 187 HZ2 LYS 24 HZ2 LYS 24 -20.687 -0.114 -6.397 188 HZ3 LYS 24 HZ3 LYS 24 -20.150 -1.638 -5.897 189 H CYS 25 H CYS 25 -15.072 -3.624 -9.470 190 HA CYS 25 HA CYS 25 -14.330 -0.860 -8.922 191 HB2 CYS 25 HB2 CYS 25 -12.297 -1.147 -10.413 192 HB3 CYS 25 HB3 CYS 25 -12.185 -1.870 -8.811 193 HG CYS 25 HG CYS 25 -12.993 -4.456 -9.941 194 H VAL 26 H VAL 26 -16.504 -0.829 -9.911 195 HA VAL 26 HA VAL 26 -16.563 -1.380 -12.767 196 HB VAL 26 HB VAL 26 -18.520 -2.053 -11.483 197 HG11 VAL 26 HG11 VAL 26 -20.011 -0.388 -10.458 198 HG12 VAL 26 HG12 VAL 26 -18.813 0.863 -10.781 199 HG13 VAL 26 HG13 VAL 26 -18.434 -0.455 -9.674 200 HG21 VAL 26 HG21 VAL 26 -18.860 -1.388 -13.802 201 HG22 VAL 26 HG22 VAL 26 -19.129 0.280 -13.296 202 HG23 VAL 26 HG23 VAL 26 -20.266 -0.981 -12.818 203 H ILE 27 H ILE 27 -16.146 0.117 -14.243 204 HA ILE 27 HA ILE 27 -15.550 2.792 -13.520 205 HB ILE 27 HB ILE 27 -15.991 1.550 -16.234 206 HG12 ILE 27 HG12 ILE 27 -13.491 2.438 -14.772 207 HG13 ILE 27 HG13 ILE 27 -14.006 0.768 -14.997 208 HG21 ILE 27 HG21 ILE 27 -15.093 3.596 -17.185 209 HG22 ILE 27 HG22 ILE 27 -14.946 4.302 -15.575 210 HG23 ILE 27 HG23 ILE 27 -16.542 3.950 -16.238 211 HD11 ILE 27 HD11 ILE 27 -13.205 2.696 -17.157 212 HD12 ILE 27 HD12 ILE 27 -13.777 1.050 -17.422 213 HD13 ILE 27 HD13 ILE 27 -12.262 1.330 -16.561 214 H GLU 28 H GLU 28 -16.840 4.425 -13.249 215 HA GLU 28 HA GLU 28 -19.545 4.306 -14.373 216 HB2 GLU 28 HB2 GLU 28 -18.541 5.474 -11.789 217 HB3 GLU 28 HB3 GLU 28 -20.067 5.997 -12.501 218 HG2 GLU 28 HG2 GLU 28 -20.574 3.441 -12.560 219 HG3 GLU 28 HG3 GLU 28 -19.313 3.362 -11.330 220 H GLU 29 H GLU 29 -19.501 5.429 -16.152 221 HA GLU 29 HA GLU 29 -17.710 7.666 -16.463 222 HB2 GLU 29 HB2 GLU 29 -18.445 7.710 -18.781 223 HB3 GLU 29 HB3 GLU 29 -17.980 6.088 -18.314 224 HG2 GLU 29 HG2 GLU 29 -20.824 7.071 -18.478 225 HG3 GLU 29 HG3 GLU 29 -19.990 6.190 -19.754 226 H VAL 30 H VAL 30 -18.212 9.604 -15.832 227 HA VAL 30 HA VAL 30 -20.965 10.376 -15.372 228 HB VAL 30 HB VAL 30 -18.392 11.940 -15.049 229 HG11 VAL 30 HG11 VAL 30 -20.252 13.452 -15.393 230 HG12 VAL 30 HG12 VAL 30 -19.732 13.501 -13.708 231 HG13 VAL 30 HG13 VAL 30 -21.189 12.615 -14.155 232 HG21 VAL 30 HG21 VAL 30 -18.510 10.057 -13.533 233 HG22 VAL 30 HG22 VAL 30 -20.128 10.542 -13.021 234 HG23 VAL 30 HG23 VAL 30 -18.741 11.564 -12.647 235 H LYS 31 H LYS 31 -22.183 11.485 -16.766 236 HA LYS 31 HA LYS 31 -21.377 11.652 -19.454 237 HB2 LYS 31 HB2 LYS 31 -23.710 13.123 -18.219 238 HB3 LYS 31 HB3 LYS 31 -23.534 12.612 -19.894 239 HG2 LYS 31 HG2 LYS 31 -23.875 10.820 -17.496 240 HG3 LYS 31 HG3 LYS 31 -25.073 11.149 -18.749 241 HD2 LYS 31 HD2 LYS 31 -23.802 9.994 -20.389 242 HD3 LYS 31 HD3 LYS 31 -22.388 9.920 -19.336 243 HE2 LYS 31 HE2 LYS 31 -23.590 8.434 -17.817 244 HE3 LYS 31 HE3 LYS 31 -25.018 8.520 -18.847 245 HZ1 LYS 31 HZ1 LYS 31 -22.401 7.516 -19.810 246 HZ2 LYS 31 HZ2 LYS 31 -23.910 7.361 -20.563 247 HZ3 LYS 31 HZ3 LYS 31 -23.579 6.502 -19.142 248 H SER 32 H SER 32 -19.841 12.953 -20.094 249 HA SER 32 HA SER 32 -19.265 15.427 -18.750 250 HB2 SER 32 HB2 SER 32 -17.468 13.913 -19.497 251 HB3 SER 32 HB3 SER 32 -17.981 14.127 -21.167 252 HG SER 32 HG SER 32 -17.330 16.407 -19.646 253 H SER 33 H SER 33 -19.519 17.457 -19.511 254 HA SER 33 HA SER 33 -21.496 18.021 -21.431 255 HB2 SER 33 HB2 SER 33 -20.845 19.542 -19.564 256 HB3 SER 33 HB3 SER 33 -19.319 19.858 -20.386 257 HG SER 33 HG SER 33 -20.476 21.449 -21.180 258 H HIS 34 H HIS 34 -18.018 17.714 -21.606 259 HA HIS 34 HA HIS 34 -17.910 18.534 -24.386 260 HB2 HIS 34 HB2 HIS 34 -16.028 19.053 -22.877 261 HB3 HIS 34 HB3 HIS 34 -15.780 17.335 -22.590 262 HD1 HIS 34 HD1 HIS 34 -14.297 16.103 -24.241 263 HD2 HIS 34 HD2 HIS 34 -15.410 19.890 -25.552 264 HE1 HIS 34 HE1 HIS 34 -12.954 16.558 -26.336 265 H LYS 35 H LYS 35 -18.785 17.141 -25.807 266 HA LYS 35 HA LYS 35 -17.888 14.371 -25.770 267 HB2 LYS 35 HB2 LYS 35 -20.178 13.495 -25.993 268 HB3 LYS 35 HB3 LYS 35 -19.936 14.304 -24.451 269 HG2 LYS 35 HG2 LYS 35 -21.083 16.284 -25.301 270 HG3 LYS 35 HG3 LYS 35 -21.311 15.487 -26.857 271 HD2 LYS 35 HD2 LYS 35 -22.436 14.562 -24.212 272 HD3 LYS 35 HD3 LYS 35 -23.340 15.364 -25.497 273 HE2 LYS 35 HE2 LYS 35 -22.809 13.484 -27.004 274 HE3 LYS 35 HE3 LYS 35 -21.974 12.679 -25.676 275 HZ1 LYS 35 HZ1 LYS 35 -24.124 12.760 -24.441 276 HZ2 LYS 35 HZ2 LYS 35 -24.146 11.778 -25.822 277 HZ3 LYS 35 HZ3 LYS 35 -24.869 13.309 -25.864 278 H THR 36 H THR 36 -18.196 13.278 -27.766 279 HA THR 36 HA THR 36 -18.604 15.071 -30.044 280 HB THR 36 HB THR 36 -16.463 13.947 -30.079 281 HG1 THR 36 HG1 THR 36 -16.989 14.024 -32.154 282 HG21 THR 36 HG21 THR 36 -16.303 11.484 -30.222 283 HG22 THR 36 HG22 THR 36 -18.031 11.381 -29.886 284 HG23 THR 36 HG23 THR 36 -16.935 12.047 -28.678 285 H LEU 37 H LEU 37 -19.494 13.638 -32.033 286 HA LEU 37 HA LEU 37 -22.134 12.870 -31.055 287 HB2 LEU 37 HB2 LEU 37 -22.922 13.240 -33.347 288 HB3 LEU 37 HB3 LEU 37 -22.154 14.656 -32.665 289 HG LEU 37 HG LEU 37 -20.648 12.809 -34.501 290 HD11 LEU 37 HD11 LEU 37 -21.272 14.289 -36.350 291 HD12 LEU 37 HD12 LEU 37 -22.368 15.164 -35.280 292 HD13 LEU 37 HD13 LEU 37 -22.679 13.473 -35.671 293 HD21 LEU 37 HD21 LEU 37 -19.326 14.807 -34.926 294 HD22 LEU 37 HD22 LEU 37 -19.364 14.449 -33.201 295 HD23 LEU 37 HD23 LEU 37 -20.366 15.745 -33.855 296 H LEU 38 H LEU 38 -22.285 10.804 -30.623 297 HA LEU 38 HA LEU 38 -22.516 8.991 -32.772 298 HB2 LEU 38 HB2 LEU 38 -20.906 7.320 -32.205 299 HB3 LEU 38 HB3 LEU 38 -20.063 8.828 -32.457 300 HG LEU 38 HG LEU 38 -20.629 7.584 -29.746 301 HD11 LEU 38 HD11 LEU 38 -19.014 6.317 -31.047 302 HD12 LEU 38 HD12 LEU 38 -18.238 7.157 -29.704 303 HD13 LEU 38 HD13 LEU 38 -18.089 7.786 -31.345 304 HD21 LEU 38 HD21 LEU 38 -19.073 10.026 -30.547 305 HD22 LEU 38 HD22 LEU 38 -19.055 9.287 -28.949 306 HD23 LEU 38 HD23 LEU 38 -20.546 9.974 -29.581 307 H ASN 39 H ASN 39 -22.493 6.606 -31.340 308 HA ASN 39 HA ASN 39 -24.999 6.523 -30.207 309 HB2 ASN 39 HB2 ASN 39 -23.751 4.525 -30.893 310 HB3 ASN 39 HB3 ASN 39 -22.615 4.783 -29.565 311 HD21 ASN 39 HD21 ASN 39 -23.036 2.855 -28.527 312 HD22 ASN 39 HD22 ASN 39 -24.544 2.522 -27.741 313 H THR 40 H THR 40 -22.072 6.068 -28.271 314 HA THR 40 HA THR 40 -23.420 7.346 -25.994 315 HB THR 40 HB THR 40 -21.534 6.259 -24.678 316 HG1 THR 40 HG1 THR 40 -20.812 4.280 -26.056 317 HG21 THR 40 HG21 THR 40 -23.810 5.328 -24.743 318 HG22 THR 40 HG22 THR 40 -22.588 4.059 -24.657 319 HG23 THR 40 HG23 THR 40 -23.386 4.411 -26.190 320 H GLU 41 H GLU 41 -21.131 7.953 -24.500 321 HA GLU 41 HA GLU 41 -19.828 9.979 -26.150 322 HB2 GLU 41 HB2 GLU 41 -19.690 9.511 -23.162 323 HB3 GLU 41 HB3 GLU 41 -18.886 10.815 -24.018 324 HG2 GLU 41 HG2 GLU 41 -20.821 11.729 -23.015 325 HG3 GLU 41 HG3 GLU 41 -21.141 11.615 -24.744 326 H LEU 42 H LEU 42 -18.442 8.839 -27.362 327 HA LEU 42 HA LEU 42 -17.017 6.598 -26.851 328 HB2 LEU 42 HB2 LEU 42 -17.148 8.017 -28.986 329 HB3 LEU 42 HB3 LEU 42 -15.782 8.902 -28.342 330 HG LEU 42 HG LEU 42 -15.240 7.121 -30.039 331 HD11 LEU 42 HD11 LEU 42 -13.966 6.833 -27.324 332 HD12 LEU 42 HD12 LEU 42 -13.521 8.000 -28.571 333 HD13 LEU 42 HD13 LEU 42 -13.284 6.276 -28.852 334 HD21 LEU 42 HD21 LEU 42 -16.833 5.442 -29.300 335 HD22 LEU 42 HD22 LEU 42 -15.973 5.280 -27.769 336 HD23 LEU 42 HD23 LEU 42 -15.190 4.801 -29.276 337 H HIS 43 H HIS 43 -15.914 9.917 -26.231 338 HA HIS 43 HA HIS 43 -14.110 8.857 -24.175 339 HB2 HIS 43 HB2 HIS 43 -12.478 10.625 -24.733 340 HB3 HIS 43 HB3 HIS 43 -12.736 9.524 -26.079 341 HD1 HIS 43 HD1 HIS 43 -12.654 13.063 -25.262 342 HD2 HIS 43 HD2 HIS 43 -14.519 10.676 -28.113 343 HE1 HIS 43 HE1 HIS 43 -13.396 14.614 -27.120 344 H LEU 44 H LEU 44 -14.608 9.609 -22.232 345 HA LEU 44 HA LEU 44 -15.464 12.352 -21.885 346 HB2 LEU 44 HB2 LEU 44 -17.571 11.966 -20.964 347 HB3 LEU 44 HB3 LEU 44 -17.532 10.984 -22.410 348 HG LEU 44 HG LEU 44 -17.085 9.914 -19.624 349 HD11 LEU 44 HD11 LEU 44 -19.324 10.763 -19.817 350 HD12 LEU 44 HD12 LEU 44 -19.362 9.001 -19.861 351 HD13 LEU 44 HD13 LEU 44 -19.549 9.924 -21.351 352 HD21 LEU 44 HD21 LEU 44 -16.049 8.534 -21.331 353 HD22 LEU 44 HD22 LEU 44 -17.546 8.523 -22.261 354 HD23 LEU 44 HD23 LEU 44 -17.481 7.729 -20.689 355 H THR 45 H THR 45 -16.199 12.491 -19.397 356 HA THR 45 HA THR 45 -13.847 11.782 -17.908 357 HB THR 45 HB THR 45 -16.375 13.016 -16.843 358 HG1 THR 45 HG1 THR 45 -14.746 13.976 -18.753 359 HG21 THR 45 HG21 THR 45 -14.707 12.334 -15.174 360 HG22 THR 45 HG22 THR 45 -14.854 14.091 -15.249 361 HG23 THR 45 HG23 THR 45 -13.482 13.286 -16.011 362 H LYS 46 H LYS 46 -13.649 9.757 -17.190 363 HA LYS 46 HA LYS 46 -16.054 8.463 -16.111 364 HB2 LYS 46 HB2 LYS 46 -15.630 6.561 -17.235 365 HB3 LYS 46 HB3 LYS 46 -14.637 7.586 -18.257 366 HG2 LYS 46 HG2 LYS 46 -13.566 6.106 -15.872 367 HG3 LYS 46 HG3 LYS 46 -13.587 5.442 -17.506 368 HD2 LYS 46 HD2 LYS 46 -12.058 7.035 -18.286 369 HD3 LYS 46 HD3 LYS 46 -12.316 8.091 -16.893 370 HE2 LYS 46 HE2 LYS 46 -11.269 6.480 -15.435 371 HE3 LYS 46 HE3 LYS 46 -11.079 5.350 -16.772 372 HZ1 LYS 46 HZ1 LYS 46 -9.650 7.057 -17.860 373 HZ2 LYS 46 HZ2 LYS 46 -9.004 6.405 -16.436 374 HZ3 LYS 46 HZ3 LYS 46 -9.697 7.950 -16.419 375 H TYR 47 H TYR 47 -15.767 7.045 -14.326 376 HA TYR 47 HA TYR 47 -13.358 7.632 -12.749 377 HB2 TYR 47 HB2 TYR 47 -16.241 7.634 -11.849 378 HB3 TYR 47 HB3 TYR 47 -14.889 7.556 -10.729 379 HD1 TYR 47 HD2 TYR 47 -16.395 9.676 -13.394 380 HD2 TYR 47 HD1 TYR 47 -13.845 9.505 -9.993 381 HE1 TYR 47 HE2 TYR 47 -16.273 12.126 -13.372 382 HE2 TYR 47 HE1 TYR 47 -13.726 11.960 -9.953 383 HH TYR 47 HH TYR 47 -15.848 13.907 -11.547 384 H TYR 48 H TYR 48 -12.519 5.976 -11.588 385 HA TYR 48 HA TYR 48 -13.567 3.324 -12.068 386 HB2 TYR 48 HB2 TYR 48 -11.115 4.391 -10.687 387 HB3 TYR 48 HB3 TYR 48 -11.597 2.711 -10.486 388 HD1 TYR 48 HD2 TYR 48 -12.168 4.451 -13.650 389 HD2 TYR 48 HD1 TYR 48 -9.552 1.884 -11.497 390 HE1 TYR 48 HE2 TYR 48 -11.019 3.875 -15.742 391 HE2 TYR 48 HE1 TYR 48 -8.395 1.300 -13.588 392 HH TYR 48 HH TYR 48 -8.918 1.270 -16.041 393 H GLY 49 H GLY 49 -15.356 2.891 -10.952 394 HA2 GLY 49 HA2 GLY 49 -15.799 3.930 -8.303 395 HA3 GLY 49 HA3 GLY 49 -16.850 2.826 -9.180 396 H PHE 50 H PHE 50 -13.803 3.005 -7.392 397 HA PHE 50 HA PHE 50 -13.718 0.172 -6.915 398 HB2 PHE 50 HB2 PHE 50 -12.030 2.509 -6.259 399 HB3 PHE 50 HB3 PHE 50 -11.992 1.196 -5.088 400 HD1 PHE 50 HD2 PHE 50 -11.218 -1.026 -5.744 401 HD2 PHE 50 HD1 PHE 50 -10.996 2.285 -8.414 402 HE1 PHE 50 HE2 PHE 50 -9.618 -2.257 -7.140 403 HE2 PHE 50 HE1 PHE 50 -9.413 1.054 -9.812 404 HZ PHE 50 HZ PHE 50 -8.701 -1.211 -9.167 405 H SER 51 H SER 51 -14.390 -0.922 -5.157 406 HA SER 51 HA SER 51 -15.142 0.372 -2.718 407 HB2 SER 51 HB2 SER 51 -17.078 0.929 -4.174 408 HB3 SER 51 HB3 SER 51 -17.332 -0.791 -4.455 409 HG SER 51 HG SER 51 -17.274 0.279 -1.849 410 H PHE 52 H PHE 52 -15.689 -1.160 -1.072 411 HA PHE 52 HA PHE 52 -15.073 -3.931 -1.834 412 HB2 PHE 52 HB2 PHE 52 -13.483 -2.880 -0.189 413 HB3 PHE 52 HB3 PHE 52 -14.835 -2.761 0.939 414 HD1 PHE 52 HD1 PHE 52 -12.543 -5.023 -0.761 415 HD2 PHE 52 HD2 PHE 52 -15.793 -4.759 1.964 416 HE1 PHE 52 HE1 PHE 52 -12.163 -7.355 -0.107 417 HE2 PHE 52 HE2 PHE 52 -15.420 -7.098 2.637 418 HZ PHE 52 HZ PHE 52 -13.605 -8.400 1.598 419 H PHE 53 H PHE 53 -16.597 -5.358 -1.680 420 HA PHE 53 HA PHE 53 -19.066 -4.687 -0.235 421 HB2 PHE 53 HB2 PHE 53 -18.437 -6.312 -2.638 422 HB3 PHE 53 HB3 PHE 53 -19.748 -6.882 -1.617 423 HD1 PHE 53 HD1 PHE 53 -21.750 -5.556 -1.316 424 HD2 PHE 53 HD2 PHE 53 -18.666 -4.338 -3.976 425 HE1 PHE 53 HE1 PHE 53 -23.310 -3.981 -2.392 426 HE2 PHE 53 HE2 PHE 53 -20.214 -2.759 -5.058 427 HZ PHE 53 HZ PHE 53 -22.541 -2.576 -4.261 428 H ARG 54 H ARG 54 -19.680 -5.811 1.483 429 HA ARG 54 HA ARG 54 -18.850 -8.611 1.715 430 HB2 ARG 54 HB2 ARG 54 -17.411 -7.446 3.321 431 HB3 ARG 54 HB3 ARG 54 -18.817 -6.660 4.039 432 HG2 ARG 54 HG2 ARG 54 -19.709 -8.953 4.546 433 HG3 ARG 54 HG3 ARG 54 -18.145 -9.588 4.048 434 HD2 ARG 54 HD2 ARG 54 -17.043 -8.618 5.865 435 HD3 ARG 54 HD3 ARG 54 -18.369 -7.495 6.187 436 HE ARG 54 HE ARG 54 -19.539 -9.890 6.527 437 HH11 ARG 54 1HH1 ARG 54 -16.616 -8.519 7.892 438 HH12 ARG 54 2HH1 ARG 54 -16.746 -9.431 9.362 439 HH21 ARG 54 1HH2 ARG 54 -19.695 -11.058 8.486 440 HH22 ARG 54 2HH2 ARG 54 -18.493 -10.835 9.721 441 H HIS 55 H HIS 55 -20.707 -9.763 1.683 442 HA HIS 55 HA HIS 55 -22.881 -10.371 1.931 443 HB2 HIS 55 HB2 HIS 55 -22.472 -8.668 4.356 444 HB3 HIS 55 HB3 HIS 55 -24.087 -9.254 3.974 445 HD1 HIS 55 HD1 HIS 55 -24.644 -11.496 4.915 446 HD2 HIS 55 HD2 HIS 55 -20.538 -10.885 4.564 447 HE1 HIS 55 HE1 HIS 55 -23.518 -13.529 5.956 448 H GLY 56 H GLY 56 -22.182 -8.042 0.274 449 HA2 GLY 56 HA2 GLY 56 -23.465 -6.725 -1.138 450 HA3 GLY 56 HA3 GLY 56 -24.876 -7.101 -0.159 451 H ASN 57 H ASN 57 -22.537 -6.103 1.949 452 HA ASN 57 HA ASN 57 -23.615 -3.385 1.999 453 HB2 ASN 57 HB2 ASN 57 -21.697 -4.648 3.970 454 HB3 ASN 57 HB3 ASN 57 -22.562 -3.130 4.168 455 HD21 ASN 57 HD21 ASN 57 -22.726 -6.534 4.245 456 HD22 ASN 57 HD22 ASN 57 -24.286 -6.678 4.986 457 H ILE 58 H ILE 58 -22.055 -1.649 2.488 458 HA ILE 58 HA ILE 58 -19.656 -2.000 0.830 459 HB ILE 58 HB ILE 58 -21.277 0.485 1.353 460 HG12 ILE 58 HG12 ILE 58 -22.105 -1.106 -0.345 461 HG13 ILE 58 HG13 ILE 58 -21.626 0.434 -1.056 462 HG21 ILE 58 HG21 ILE 58 -18.644 0.219 -0.108 463 HG22 ILE 58 HG22 ILE 58 -18.903 1.055 1.423 464 HG23 ILE 58 HG23 ILE 58 -19.646 1.673 -0.053 465 HD11 ILE 58 HD11 ILE 58 -19.537 -0.555 -1.793 466 HD12 ILE 58 HD12 ILE 58 -20.912 -1.477 -2.401 467 HD13 ILE 58 HD13 ILE 58 -19.975 -2.083 -1.034 468 H VAL 59 H VAL 59 -18.014 -2.368 2.041 469 HA VAL 59 HA VAL 59 -17.745 -1.135 4.664 470 HB VAL 59 HB VAL 59 -15.924 -3.068 3.215 471 HG11 VAL 59 HG11 VAL 59 -15.836 -1.968 6.017 472 HG12 VAL 59 HG12 VAL 59 -14.614 -1.800 4.756 473 HG13 VAL 59 HG13 VAL 59 -14.918 -3.375 5.488 474 HG21 VAL 59 HG21 VAL 59 -16.779 -4.711 4.866 475 HG22 VAL 59 HG22 VAL 59 -18.027 -4.118 3.768 476 HG23 VAL 59 HG23 VAL 59 -17.940 -3.502 5.418 477 H ALA 60 H ALA 60 -16.363 -1.003 1.448 478 HA ALA 60 HA ALA 60 -14.986 1.480 2.222 479 HB1 ALA 60 1HB ALA 60 -13.305 -0.292 2.272 480 HB2 ALA 60 HB2 ALA 60 -13.000 0.835 0.950 481 HB3 ALA 60 HB3 ALA 60 -13.722 -0.741 0.618 482 H TYR 61 H TYR 61 -14.926 3.045 0.616 483 HA TYR 61 HA TYR 61 -15.631 2.310 -2.102 484 HB2 TYR 61 HB2 TYR 61 -17.776 2.920 -0.786 485 HB3 TYR 61 HB3 TYR 61 -17.163 4.570 -0.816 486 HD1 TYR 61 HD2 TYR 61 -16.698 5.625 -3.107 487 HD2 TYR 61 HD1 TYR 61 -18.930 2.036 -2.622 488 HE1 TYR 61 HE2 TYR 61 -17.649 5.917 -5.354 489 HE2 TYR 61 HE1 TYR 61 -19.887 2.323 -4.867 490 HH TYR 61 HH TYR 61 -20.282 4.021 -6.493 491 H GLY 62 H GLY 62 -14.411 3.382 -3.482 492 HA2 GLY 62 HA2 GLY 62 -13.498 6.082 -2.855 493 HA3 GLY 62 HA3 GLY 62 -12.260 4.853 -3.078 494 H LYS 63 H LYS 63 -14.279 7.087 -4.610 495 HA LYS 63 HA LYS 63 -13.900 5.794 -7.219 496 HB2 LYS 63 HB2 LYS 63 -16.211 6.258 -6.681 497 HB3 LYS 63 HB3 LYS 63 -15.828 7.932 -6.311 498 HG2 LYS 63 HG2 LYS 63 -15.349 8.393 -8.608 499 HG3 LYS 63 HG3 LYS 63 -15.521 6.688 -9.031 500 HD2 LYS 63 HD2 LYS 63 -17.736 8.333 -7.827 501 HD3 LYS 63 HD3 LYS 63 -17.507 8.133 -9.567 502 HE2 LYS 63 HE2 LYS 63 -17.818 5.764 -9.400 503 HE3 LYS 63 HE3 LYS 63 -17.832 5.842 -7.639 504 HZ1 LYS 63 HZ1 LYS 63 -19.910 6.881 -7.631 505 HZ2 LYS 63 HZ2 LYS 63 -20.056 5.650 -8.795 506 HZ3 LYS 63 HZ3 LYS 63 -19.840 7.262 -9.283 507 H SER 64 H SER 64 -12.421 6.580 -8.542 508 HA SER 64 HA SER 64 -11.873 9.422 -8.650 509 HB2 SER 64 HB2 SER 64 -9.698 7.421 -8.006 510 HB3 SER 64 HB3 SER 64 -9.431 9.118 -8.408 511 HG SER 64 HG SER 64 -11.268 8.742 -6.409 512 H ARG 65 H ARG 65 -10.345 9.916 -10.499 513 HA ARG 65 HA ARG 65 -11.156 8.474 -12.828 514 HB2 ARG 65 HB2 ARG 65 -8.993 10.564 -12.477 515 HB3 ARG 65 HB3 ARG 65 -9.512 9.926 -14.026 516 HG2 ARG 65 HG2 ARG 65 -10.584 11.980 -13.836 517 HG3 ARG 65 HG3 ARG 65 -11.825 10.798 -13.425 518 HD2 ARG 65 HD2 ARG 65 -11.770 12.797 -11.932 519 HD3 ARG 65 HD3 ARG 65 -11.594 11.258 -11.094 520 HE ARG 65 HE ARG 65 -9.263 11.740 -10.801 521 HH11 ARG 65 1HH1 ARG 65 -11.072 14.393 -12.178 522 HH12 ARG 65 2HH1 ARG 65 -10.018 15.617 -11.529 523 HH21 ARG 65 1HH2 ARG 65 -7.876 13.338 -9.943 524 HH22 ARG 65 2HH2 ARG 65 -8.186 15.016 -10.275 525 H LYS 66 H LYS 66 -8.363 8.534 -10.762 526 HA LYS 66 HA LYS 66 -6.924 6.673 -12.504 527 HB2 LYS 66 HB2 LYS 66 -5.723 8.697 -11.782 528 HB3 LYS 66 HB3 LYS 66 -5.992 8.260 -10.101 529 HG2 LYS 66 HG2 LYS 66 -4.626 6.261 -10.394 530 HG3 LYS 66 HG3 LYS 66 -4.363 6.689 -12.087 531 HD2 LYS 66 HD2 LYS 66 -3.567 8.392 -9.727 532 HD3 LYS 66 HD3 LYS 66 -2.475 7.329 -10.618 533 HE2 LYS 66 HE2 LYS 66 -2.814 8.613 -12.637 534 HE3 LYS 66 HE3 LYS 66 -4.018 9.620 -11.833 535 HZ1 LYS 66 HZ1 LYS 66 -2.313 10.457 -10.363 536 HZ2 LYS 66 HZ2 LYS 66 -1.849 10.701 -11.977 537 HZ3 LYS 66 HZ3 LYS 66 -1.147 9.448 -11.076 538 H VAL 67 H VAL 67 -6.641 4.618 -11.959 539 HA VAL 67 HA VAL 67 -8.201 3.360 -10.034 540 HB VAL 67 HB VAL 67 -7.430 2.085 -11.880 541 HG11 VAL 67 HG11 VAL 67 -5.398 3.291 -12.382 542 HG12 VAL 67 HG12 VAL 67 -5.077 1.560 -12.282 543 HG13 VAL 67 HG13 VAL 67 -4.626 2.620 -10.947 544 HG21 VAL 67 HG21 VAL 67 -5.928 1.046 -9.488 545 HG22 VAL 67 HG22 VAL 67 -6.492 0.109 -10.870 546 HG23 VAL 67 HG23 VAL 67 -7.654 0.833 -9.763 547 H ALA 68 H ALA 68 -4.811 4.361 -9.873 548 HA ALA 68 HA ALA 68 -4.110 3.124 -7.476 549 HB1 ALA 68 1HB ALA 68 -3.085 5.732 -8.579 550 HB2 ALA 68 HB2 ALA 68 -2.493 4.124 -8.998 551 HB3 ALA 68 HB3 ALA 68 -2.295 4.738 -7.355 552 H ASN 69 H ASN 69 -5.641 6.269 -8.031 553 HA ASN 69 HA ASN 69 -5.480 7.057 -5.274 554 HB2 ASN 69 HB2 ASN 69 -5.649 8.625 -7.300 555 HB3 ASN 69 HB3 ASN 69 -7.359 8.222 -7.327 556 HD21 ASN 69 HD21 ASN 69 -8.713 9.027 -5.744 557 HD22 ASN 69 HD22 ASN 69 -8.203 10.241 -4.619 558 H ALA 70 H ALA 70 -8.026 5.890 -7.429 559 HA ALA 70 HA ALA 70 -10.165 5.897 -5.660 560 HB1 ALA 70 1HB ALA 70 -10.302 5.503 -8.102 561 HB2 ALA 70 HB2 ALA 70 -11.204 4.312 -7.160 562 HB3 ALA 70 HB3 ALA 70 -9.636 3.889 -7.849 563 H LYS 71 H LYS 71 -7.837 3.281 -6.337 564 HA LYS 71 HA LYS 71 -8.791 1.399 -4.501 565 HB2 LYS 71 HB2 LYS 71 -6.002 1.955 -5.490 566 HB3 LYS 71 HB3 LYS 71 -6.381 0.605 -4.436 567 HG2 LYS 71 HG2 LYS 71 -7.904 -0.261 -6.116 568 HG3 LYS 71 HG3 LYS 71 -7.478 1.083 -7.175 569 HD2 LYS 71 HD2 LYS 71 -5.630 -1.071 -6.152 570 HD3 LYS 71 HD3 LYS 71 -6.190 -0.859 -7.814 571 HE2 LYS 71 HE2 LYS 71 -5.061 1.314 -7.906 572 HE3 LYS 71 HE3 LYS 71 -4.482 1.079 -6.257 573 HZ1 LYS 71 HZ1 LYS 71 -2.748 0.502 -7.758 574 HZ2 LYS 71 HZ2 LYS 71 -3.758 -0.519 -8.654 575 HZ3 LYS 71 HZ3 LYS 71 -3.313 -0.940 -7.073 576 H TYR 72 H TYR 72 -6.454 4.006 -4.128 577 HA TYR 72 HA TYR 72 -5.475 3.400 -1.644 578 HB2 TYR 72 HB2 TYR 72 -4.368 5.109 -2.793 579 HB3 TYR 72 HB3 TYR 72 -5.858 5.985 -3.119 580 HD1 TYR 72 HD2 TYR 72 -3.450 5.119 -0.429 581 HD2 TYR 72 HD1 TYR 72 -6.594 7.691 -1.694 582 HE1 TYR 72 HE2 TYR 72 -3.019 6.583 1.501 583 HE2 TYR 72 HE1 TYR 72 -6.173 9.164 0.229 584 HH TYR 72 HH TYR 72 -5.138 8.853 2.599 585 H ILE 73 H ILE 73 -8.288 5.368 -2.451 586 HA ILE 73 HA ILE 73 -8.957 6.234 0.120 587 HB ILE 73 HB ILE 73 -10.811 5.695 -2.202 588 HG12 ILE 73 HG12 ILE 73 -9.620 8.350 -1.455 589 HG13 ILE 73 HG13 ILE 73 -8.736 7.230 -2.485 590 HG21 ILE 73 HG21 ILE 73 -12.225 7.426 -1.144 591 HG22 ILE 73 HG22 ILE 73 -11.127 7.446 0.237 592 HG23 ILE 73 HG23 ILE 73 -12.043 5.986 -0.140 593 HD11 ILE 73 HD11 ILE 73 -10.641 7.229 -4.044 594 HD12 ILE 73 HD12 ILE 73 -9.893 8.815 -3.843 595 HD13 ILE 73 HD13 ILE 73 -11.422 8.451 -3.039 596 H MET 74 H MET 74 -10.251 3.469 -1.733 597 HA MET 74 HA MET 74 -11.947 2.601 0.360 598 HB2 MET 74 HB2 MET 74 -12.285 0.572 -0.925 599 HB3 MET 74 HB3 MET 74 -12.326 1.965 -1.995 600 HG2 MET 74 HG2 MET 74 -10.275 1.451 -2.940 601 HG3 MET 74 HG3 MET 74 -9.818 0.399 -1.602 602 HE1 MET 74 HE1 MET 74 -8.956 -1.229 -3.467 603 HE2 MET 74 HE2 MET 74 -9.981 -2.665 -3.568 604 HE3 MET 74 HE3 MET 74 -9.602 -1.957 -1.996 605 H LYS 75 H LYS 75 -8.642 1.689 -0.575 606 HA LYS 75 HA LYS 75 -8.314 -0.507 1.115 607 HB2 LYS 75 HB2 LYS 75 -6.353 1.555 0.120 608 HB3 LYS 75 HB3 LYS 75 -5.857 0.168 1.077 609 HG2 LYS 75 HG2 LYS 75 -6.489 -1.350 -0.614 610 HG3 LYS 75 HG3 LYS 75 -7.377 -0.108 -1.501 611 HD2 LYS 75 HD2 LYS 75 -5.310 1.051 -1.993 612 HD3 LYS 75 HD3 LYS 75 -4.395 -0.117 -1.041 613 HE2 LYS 75 HE2 LYS 75 -6.059 -0.908 -3.418 614 HE3 LYS 75 HE3 LYS 75 -4.376 -0.409 -3.570 615 HZ1 LYS 75 HZ1 LYS 75 -4.466 -2.771 -3.459 616 HZ2 LYS 75 HZ2 LYS 75 -5.419 -2.750 -2.061 617 HZ3 LYS 75 HZ3 LYS 75 -3.806 -2.218 -2.001 618 H GLN 76 H GLN 76 -7.774 2.937 1.749 619 HA GLN 76 HA GLN 76 -6.767 2.720 4.351 620 HB2 GLN 76 HB2 GLN 76 -8.367 4.916 3.033 621 HB3 GLN 76 HB3 GLN 76 -7.611 5.079 4.610 622 HG2 GLN 76 HG2 GLN 76 -6.176 4.520 2.026 623 HG3 GLN 76 HG3 GLN 76 -6.258 6.077 2.848 624 HE21 GLN 76 HE21 GLN 76 -3.955 4.397 2.153 625 HE22 GLN 76 HE22 GLN 76 -3.126 4.101 3.637 626 H ARG 77 H ARG 77 -10.040 2.633 3.138 627 HA ARG 77 HA ARG 77 -11.436 3.078 5.526 628 HB2 ARG 77 HB2 ARG 77 -12.200 1.411 3.128 629 HB3 ARG 77 HB3 ARG 77 -13.306 1.867 4.416 630 HG2 ARG 77 HG2 ARG 77 -11.841 3.794 2.632 631 HG3 ARG 77 HG3 ARG 77 -13.516 3.283 2.427 632 HD2 ARG 77 HD2 ARG 77 -12.383 4.727 4.818 633 HD3 ARG 77 HD3 ARG 77 -13.377 5.447 3.550 634 HE ARG 77 HE ARG 77 -14.316 3.378 5.437 635 HH11 ARG 77 1HH1 ARG 77 -14.886 6.167 3.388 636 HH12 ARG 77 2HH1 ARG 77 -16.562 6.306 3.840 637 HH21 ARG 77 1HH2 ARG 77 -16.500 3.563 6.034 638 HH22 ARG 77 2HH2 ARG 77 -17.492 4.812 5.337 639 H LEU 78 H LEU 78 -11.002 -0.135 3.959 640 HA LEU 78 HA LEU 78 -11.780 -1.532 6.286 641 HB2 LEU 78 HB2 LEU 78 -9.847 -2.825 4.421 642 HB3 LEU 78 HB3 LEU 78 -11.222 -3.511 5.267 643 HG LEU 78 HG LEU 78 -12.541 -1.918 3.570 644 HD11 LEU 78 HD11 LEU 78 -10.492 -1.056 2.520 645 HD12 LEU 78 HD12 LEU 78 -11.481 -1.968 1.383 646 HD13 LEU 78 HD13 LEU 78 -10.039 -2.702 2.083 647 HD21 LEU 78 HD21 LEU 78 -12.863 -4.303 3.876 648 HD22 LEU 78 HD22 LEU 78 -11.398 -4.633 2.954 649 HD23 LEU 78 HD23 LEU 78 -12.796 -3.906 2.160 650 H LEU 79 H LEU 79 -8.657 -0.418 5.131 651 HA LEU 79 HA LEU 79 -6.915 -1.841 6.704 652 HB2 LEU 79 HB2 LEU 79 -6.003 -0.318 5.144 653 HB3 LEU 79 HB3 LEU 79 -6.846 1.046 5.864 654 HG LEU 79 HG LEU 79 -5.450 0.497 7.971 655 HD11 LEU 79 HD11 LEU 79 -4.593 -1.624 7.284 656 HD12 LEU 79 HD12 LEU 79 -3.262 -0.484 7.477 657 HD13 LEU 79 HD13 LEU 79 -3.837 -0.904 5.862 658 HD21 LEU 79 HD21 LEU 79 -4.290 1.737 5.495 659 HD22 LEU 79 HD22 LEU 79 -3.551 1.841 7.093 660 HD23 LEU 79 HD23 LEU 79 -5.148 2.535 6.817 661 H LYS 80 H LYS 80 -8.320 1.293 7.536 662 HA LYS 80 HA LYS 80 -7.279 1.361 10.123 663 HB2 LYS 80 HB2 LYS 80 -9.263 2.886 8.597 664 HB3 LYS 80 HB3 LYS 80 -9.553 2.875 10.332 665 HG2 LYS 80 HG2 LYS 80 -6.980 3.688 8.999 666 HG3 LYS 80 HG3 LYS 80 -8.208 4.790 9.626 667 HD2 LYS 80 HD2 LYS 80 -6.542 2.825 11.206 668 HD3 LYS 80 HD3 LYS 80 -6.444 4.587 11.259 669 HE2 LYS 80 HE2 LYS 80 -8.839 4.579 12.046 670 HE3 LYS 80 HE3 LYS 80 -8.699 2.829 12.212 671 HZ1 LYS 80 HZ1 LYS 80 -8.315 4.001 14.302 672 HZ2 LYS 80 HZ2 LYS 80 -6.994 4.815 13.623 673 HZ3 LYS 80 HZ3 LYS 80 -6.941 3.133 13.821 674 H LEU 81 H LEU 81 -10.067 -0.229 8.815 675 HA LEU 81 HA LEU 81 -11.415 -0.623 11.299 676 HB2 LEU 81 HB2 LEU 81 -11.660 -2.092 8.677 677 HB3 LEU 81 HB3 LEU 81 -12.743 -2.296 10.043 678 HG LEU 81 HG LEU 81 -12.352 0.259 8.479 679 HD11 LEU 81 HD11 LEU 81 -14.619 -0.125 7.685 680 HD12 LEU 81 HD12 LEU 81 -14.671 -1.658 8.554 681 HD13 LEU 81 HD13 LEU 81 -13.549 -1.445 7.211 682 HD21 LEU 81 HD21 LEU 81 -14.262 1.074 9.782 683 HD22 LEU 81 HD22 LEU 81 -12.864 0.721 10.796 684 HD23 LEU 81 HD23 LEU 81 -14.223 -0.403 10.746 685 H LEU 82 H LEU 82 -9.088 -2.496 9.415 686 HA LEU 82 HA LEU 82 -9.197 -4.665 11.332 687 HB2 LEU 82 HB2 LEU 82 -7.425 -5.691 9.945 688 HB3 LEU 82 HB3 LEU 82 -8.893 -5.314 9.068 689 HG LEU 82 HG LEU 82 -7.427 -3.078 8.592 690 HD11 LEU 82 HD11 LEU 82 -5.483 -5.381 8.705 691 HD12 LEU 82 HD12 LEU 82 -5.443 -3.925 9.701 692 HD13 LEU 82 HD13 LEU 82 -5.167 -3.813 7.961 693 HD21 LEU 82 HD21 LEU 82 -8.590 -4.195 6.887 694 HD22 LEU 82 HD22 LEU 82 -7.637 -5.666 7.089 695 HD23 LEU 82 HD23 LEU 82 -6.894 -4.220 6.408 696 H GLU 83 H GLU 83 -7.212 -1.859 10.694 697 HA GLU 83 HA GLU 83 -5.058 -2.528 12.415 698 HB2 GLU 83 HB2 GLU 83 -6.201 0.158 11.625 699 HB3 GLU 83 HB3 GLU 83 -4.708 -0.043 12.528 700 HG2 GLU 83 HG2 GLU 83 -5.179 -1.185 9.788 701 HG3 GLU 83 HG3 GLU 83 -4.421 0.375 10.093 702 H ASP 84 H ASP 84 -8.064 -0.725 12.929 703 HA ASP 84 HA ASP 84 -7.489 -0.375 15.752 704 HB2 ASP 84 HB2 ASP 84 -8.591 1.373 14.243 705 HB3 ASP 84 HB3 ASP 84 -10.036 0.374 14.322 706 H LYS 85 H LYS 85 -8.986 -2.626 13.772 707 HA LYS 85 HA LYS 85 -10.195 -4.500 14.119 708 HB2 LYS 85 HB2 LYS 85 -9.610 -4.008 17.047 709 HB3 LYS 85 HB3 LYS 85 -10.222 -5.508 16.358 710 HG2 LYS 85 HG2 LYS 85 -7.568 -4.243 15.688 711 HG3 LYS 85 HG3 LYS 85 -7.807 -5.599 16.802 712 HD2 LYS 85 HD2 LYS 85 -8.712 -5.684 13.932 713 HD3 LYS 85 HD3 LYS 85 -7.086 -6.164 14.419 714 HE2 LYS 85 HE2 LYS 85 -9.611 -7.354 15.556 715 HE3 LYS 85 HE3 LYS 85 -8.720 -8.045 14.199 716 HZ1 LYS 85 HZ1 LYS 85 -7.762 -7.689 16.987 717 HZ2 LYS 85 HZ2 LYS 85 -6.753 -8.132 15.698 718 HZ3 LYS 85 HZ3 LYS 85 -8.026 -9.149 16.165 719 H SER 86 H SER 86 -11.579 -2.287 13.627 720 HA SER 86 HA SER 86 -13.827 -2.117 15.454 721 HB2 SER 86 HB2 SER 86 -13.436 -0.841 12.733 722 HB3 SER 86 HB3 SER 86 -14.650 -0.403 13.938 723 HG SER 86 HG SER 86 -12.516 -0.187 15.280 724 H ASN 87 H ASN 87 -15.802 -3.025 15.134 725 HA ASN 87 HA ASN 87 -15.793 -5.441 13.636 726 HB2 ASN 87 HB2 ASN 87 -17.984 -5.838 14.575 727 HB3 ASN 87 HB3 ASN 87 -16.921 -5.196 15.819 728 HD21 ASN 87 HD21 ASN 87 -17.257 -3.111 16.590 729 HD22 ASN 87 HD22 ASN 87 -18.750 -2.265 16.318 730 H LEU 88 H LEU 88 -16.284 -2.429 12.459 731 HA LEU 88 HA LEU 88 -18.658 -2.682 10.974 732 HB2 LEU 88 HB2 LEU 88 -16.197 -1.040 10.408 733 HB3 LEU 88 HB3 LEU 88 -17.688 -0.917 9.496 734 HG LEU 88 HG LEU 88 -17.847 0.852 10.972 735 HD11 LEU 88 HD11 LEU 88 -19.199 -1.428 12.409 736 HD12 LEU 88 HD12 LEU 88 -19.864 -0.511 11.055 737 HD13 LEU 88 HD13 LEU 88 -19.572 0.287 12.600 738 HD21 LEU 88 HD21 LEU 88 -15.893 0.341 12.324 739 HD22 LEU 88 HD22 LEU 88 -16.790 -0.927 13.160 740 HD23 LEU 88 HD23 LEU 88 -17.270 0.760 13.344 741 H LEU 89 H LEU 89 -15.350 -3.669 10.272 742 HA LEU 89 HA LEU 89 -16.336 -4.930 7.796 743 HB2 LEU 89 HB2 LEU 89 -14.468 -3.606 7.255 744 HB3 LEU 89 HB3 LEU 89 -13.574 -4.109 8.671 745 HG LEU 89 HG LEU 89 -13.537 -6.426 7.645 746 HD11 LEU 89 HD11 LEU 89 -15.338 -5.906 5.994 747 HD12 LEU 89 HD12 LEU 89 -13.905 -6.698 5.341 748 HD13 LEU 89 HD13 LEU 89 -14.142 -4.969 5.100 749 HD21 LEU 89 HD21 LEU 89 -11.594 -5.014 7.777 750 HD22 LEU 89 HD22 LEU 89 -12.089 -4.157 6.316 751 HD23 LEU 89 HD23 LEU 89 -11.619 -5.855 6.226 752 H LEU 90 H LEU 90 -15.535 -5.547 10.967 753 HA LEU 90 HA LEU 90 -14.585 -8.277 10.412 754 HB2 LEU 90 HB2 LEU 90 -14.089 -6.671 12.904 755 HB3 LEU 90 HB3 LEU 90 -13.263 -8.127 12.381 756 HG LEU 90 HG LEU 90 -13.110 -5.533 10.858 757 HD11 LEU 90 HD11 LEU 90 -12.247 -5.105 13.049 758 HD12 LEU 90 HD12 LEU 90 -10.904 -5.245 11.914 759 HD13 LEU 90 HD13 LEU 90 -11.281 -6.581 13.002 760 HD21 LEU 90 HD21 LEU 90 -11.103 -6.555 9.905 761 HD22 LEU 90 HD22 LEU 90 -12.545 -7.523 9.584 762 HD23 LEU 90 HD23 LEU 90 -11.409 -8.020 10.839 763 H TYR 91 H TYR 91 -17.433 -7.170 10.985 764 HA TYR 91 HA TYR 91 -18.137 -8.103 13.568 765 HB2 TYR 91 HB2 TYR 91 -20.455 -7.806 12.872 766 HB3 TYR 91 HB3 TYR 91 -19.479 -6.422 12.407 767 HD1 TYR 91 HD2 TYR 91 -21.175 -9.459 11.130 768 HD2 TYR 91 HD1 TYR 91 -19.277 -5.778 10.129 769 HE1 TYR 91 HE2 TYR 91 -22.016 -9.648 8.830 770 HE2 TYR 91 HE1 TYR 91 -20.115 -5.965 7.824 771 HH TYR 91 HH TYR 91 -22.550 -8.009 6.920 772 H SER 92 H SER 92 -19.888 -9.762 13.889 773 HA SER 92 HA SER 92 -18.912 -12.246 12.725 774 HB2 SER 92 HB2 SER 92 -20.821 -11.768 15.025 775 HB3 SER 92 HB3 SER 92 -20.127 -13.324 14.562 776 HG SER 92 HG SER 92 -18.035 -11.995 14.832 777 H CYS 93 H CYS 93 -20.031 -13.482 11.387 778 HA CYS 93 HA CYS 93 -22.870 -12.910 10.861 779 HB2 CYS 93 HB2 CYS 93 -22.534 -12.976 8.521 780 HB3 CYS 93 HB3 CYS 93 -21.263 -11.918 9.138 781 H ASN 94 H ASN 94 -23.761 -14.758 9.396 782 HA ASN 94 HA ASN 94 -22.665 -17.298 10.419 783 HB2 ASN 94 HB2 ASN 94 -25.009 -16.654 11.104 784 HB3 ASN 94 HB3 ASN 94 -25.475 -16.807 9.415 785 HD21 ASN 94 HD21 ASN 94 -26.520 -18.279 11.626 786 HD22 ASN 94 HD22 ASN 94 -26.176 -19.951 11.318 787 H CYS 95 H CYS 95 -21.131 -16.923 8.392 788 HA CYS 95 HA CYS 95 -22.409 -18.118 6.075 789 HB2 CYS 95 HB2 CYS 95 -19.608 -17.177 6.615 790 HB3 CYS 95 HB3 CYS 95 -20.008 -18.125 5.181 791 H LYS 96 H LYS 96 -21.410 -19.218 8.964 792 HA LYS 96 HA LYS 96 -21.309 -21.940 8.067 793 HB2 LYS 96 HB2 LYS 96 -19.181 -22.484 9.200 794 HB3 LYS 96 HB3 LYS 96 -18.960 -21.412 7.831 795 HG2 LYS 96 HG2 LYS 96 -18.679 -19.517 9.302 796 HG3 LYS 96 HG3 LYS 96 -19.026 -20.527 10.707 797 HD2 LYS 96 HD2 LYS 96 -16.691 -20.882 8.827 798 HD3 LYS 96 HD3 LYS 96 -16.615 -20.144 10.429 799 HE2 LYS 96 HE2 LYS 96 -17.365 -22.244 11.428 800 HE3 LYS 96 HE3 LYS 96 -17.443 -22.980 9.827 801 HZ1 LYS 96 HZ1 LYS 96 -15.021 -22.027 11.249 802 HZ2 LYS 96 HZ2 LYS 96 -15.024 -22.511 9.623 803 HZ3 LYS 96 HZ3 LYS 96 -15.415 -23.624 10.839 804 H PHE 97 H PHE 97 -21.075 -19.613 10.672 805 HA PHE 97 HA PHE 97 -23.231 -20.815 12.082 806 HB2 PHE 97 HB2 PHE 97 -22.074 -21.326 14.172 807 HB3 PHE 97 HB3 PHE 97 -21.365 -22.274 12.871 808 HD1 PHE 97 HD1 PHE 97 -20.869 -19.201 14.897 809 HD2 PHE 97 HD2 PHE 97 -19.078 -22.179 12.441 810 HE1 PHE 97 HE1 PHE 97 -18.654 -18.332 15.476 811 HE2 PHE 97 HE2 PHE 97 -16.851 -21.313 13.020 812 HZ PHE 97 HZ PHE 97 -16.633 -19.392 14.536 813 H SER 98 H SER 98 -23.512 -19.487 14.253 814 HA SER 98 HA SER 98 -21.952 -17.152 14.587 815 HB2 SER 98 HB2 SER 98 -23.713 -15.464 14.158 816 HB3 SER 98 HB3 SER 98 -23.190 -16.296 12.694 817 HG SER 98 HG SER 98 -25.101 -17.746 13.261 818 H LYS 99 H LYS 99 -22.447 -16.009 16.458 819 HA LYS 99 HA LYS 99 -23.126 -15.730 18.590 820 HB2 LYS 99 HB2 LYS 99 -25.734 -16.828 17.526 821 HB3 LYS 99 HB3 LYS 99 -25.527 -16.016 19.073 822 HG2 LYS 99 HG2 LYS 99 -25.212 -14.837 16.337 823 HG3 LYS 99 HG3 LYS 99 -26.414 -14.434 17.568 824 HD2 LYS 99 HD2 LYS 99 -24.138 -14.017 18.951 825 HD3 LYS 99 HD3 LYS 99 -23.601 -13.606 17.320 826 HE2 LYS 99 HE2 LYS 99 -24.399 -11.613 18.341 827 HE3 LYS 99 HE3 LYS 99 -25.580 -12.116 17.135 828 HZ1 LYS 99 HZ1 LYS 99 -26.480 -11.377 19.356 829 HZ2 LYS 99 HZ2 LYS 99 -25.855 -12.820 19.998 830 HZ3 LYS 99 HZ3 LYS 99 -27.040 -12.872 18.789 831 H LYS 100 H LYS 100 -21.843 -18.207 17.869 832 HA LYS 100 HA LYS 100 -22.963 -20.399 19.203 833 HB2 LYS 100 HB2 LYS 100 -20.534 -21.169 19.378 834 HB3 LYS 100 HB3 LYS 100 -21.155 -20.865 17.764 835 HG2 LYS 100 HG2 LYS 100 -19.229 -19.743 17.516 836 HG3 LYS 100 HG3 LYS 100 -20.107 -18.450 18.332 837 HD2 LYS 100 HD2 LYS 100 -17.966 -18.681 19.372 838 HD3 LYS 100 HD3 LYS 100 -19.189 -19.287 20.492 839 HE2 LYS 100 HE2 LYS 100 -18.661 -21.568 19.896 840 HE3 LYS 100 HE3 LYS 100 -17.533 -21.017 18.657 841 HZ1 LYS 100 HZ1 LYS 100 -16.198 -19.992 20.417 842 HZ2 LYS 100 HZ2 LYS 100 -16.344 -21.667 20.627 843 HZ3 LYS 100 HZ3 LYS 100 -17.256 -20.613 21.587 844 H LYS 101 H LYS 101 -20.749 -17.881 20.326 845 HA LYS 101 HA LYS 101 -21.883 -18.157 22.985 846 HB2 LYS 101 HB2 LYS 101 -19.218 -19.008 22.353 847 HB3 LYS 101 HB3 LYS 101 -19.129 -17.580 23.376 848 HG2 LYS 101 HG2 LYS 101 -19.132 -19.368 24.872 849 HG3 LYS 101 HG3 LYS 101 -20.796 -18.778 24.894 850 HD2 LYS 101 HD2 LYS 101 -21.286 -20.543 23.140 851 HD3 LYS 101 HD3 LYS 101 -19.701 -21.218 23.520 852 HE2 LYS 101 HE2 LYS 101 -21.256 -22.422 24.824 853 HE3 LYS 101 HE3 LYS 101 -20.451 -21.307 25.926 854 HZ1 LYS 101 HZ1 LYS 101 -22.366 -19.802 25.695 855 HZ2 LYS 101 HZ2 LYS 101 -22.808 -21.308 26.340 856 HZ3 LYS 101 HZ3 LYS 101 -23.141 -20.954 24.717 Start of MODEL 19 1 H MET 1 H MET 1 3.731 0.487 -2.805 2 HA MET 1 HA MET 1 2.229 0.704 -0.939 3 HB2 MET 1 HB2 MET 1 0.213 -0.586 -0.800 4 HB3 MET 1 HB3 MET 1 0.161 0.304 -2.314 5 HG2 MET 1 HG2 MET 1 0.847 -1.703 -3.523 6 HG3 MET 1 HG3 MET 1 0.906 -2.599 -2.006 7 HE1 MET 1 HE1 MET 1 -1.708 0.095 -3.244 8 HE2 MET 1 HE2 MET 1 -2.934 -0.953 -3.958 9 HE3 MET 1 HE3 MET 1 -1.326 -0.859 -4.678 10 H LYS 2 H LYS 2 2.146 -0.938 0.774 11 HA LYS 2 HA LYS 2 3.547 -3.434 0.135 12 HB2 LYS 2 HB2 LYS 2 4.828 -3.195 2.295 13 HB3 LYS 2 HB3 LYS 2 5.316 -2.097 1.012 14 HG2 LYS 2 HG2 LYS 2 4.140 -0.275 2.053 15 HG3 LYS 2 HG3 LYS 2 3.465 -1.357 3.271 16 HD2 LYS 2 HD2 LYS 2 5.643 -1.758 4.199 17 HD3 LYS 2 HD3 LYS 2 6.411 -0.852 2.893 18 HE2 LYS 2 HE2 LYS 2 4.451 0.325 4.856 19 HE3 LYS 2 HE3 LYS 2 6.204 0.413 5.030 20 HZ1 LYS 2 HZ1 LYS 2 5.056 2.387 3.968 21 HZ2 LYS 2 HZ2 LYS 2 4.826 1.404 2.604 22 HZ3 LYS 2 HZ3 LYS 2 6.392 1.752 3.142 23 H GLY 3 H GLY 3 2.546 -5.143 0.942 24 HA2 GLY 3 HA2 GLY 3 1.179 -6.411 2.321 25 HA3 GLY 3 HA3 GLY 3 1.026 -5.026 3.394 26 H ASP 4 H ASP 4 -0.125 -6.444 0.397 27 HA ASP 4 HA ASP 4 -2.058 -4.558 -0.295 28 HB2 ASP 4 HB2 ASP 4 -1.352 -6.281 -1.830 29 HB3 ASP 4 HB3 ASP 4 -1.991 -7.535 -0.772 30 H ILE 5 H ILE 5 -4.096 -4.184 0.236 31 HA ILE 5 HA ILE 5 -4.894 -4.924 2.855 32 HB ILE 5 HB ILE 5 -5.381 -2.801 1.184 33 HG12 ILE 5 HG12 ILE 5 -5.292 -2.693 3.610 34 HG13 ILE 5 HG13 ILE 5 -6.756 -1.915 3.024 35 HG21 ILE 5 HG21 ILE 5 -7.949 -4.335 1.475 36 HG22 ILE 5 HG22 ILE 5 -7.115 -3.915 -0.024 37 HG23 ILE 5 HG23 ILE 5 -7.831 -2.648 0.973 38 HD11 ILE 5 HD11 ILE 5 -7.170 -3.227 5.019 39 HD12 ILE 5 HD12 ILE 5 -6.591 -4.677 4.196 40 HD13 ILE 5 HD13 ILE 5 -8.055 -3.868 3.634 41 H GLU 6 H GLU 6 -5.757 -6.074 -0.346 42 HA GLU 6 HA GLU 6 -8.208 -7.299 0.383 43 HB2 GLU 6 HB2 GLU 6 -6.308 -7.798 -1.900 44 HB3 GLU 6 HB3 GLU 6 -7.727 -8.805 -1.649 45 HG2 GLU 6 HG2 GLU 6 -8.500 -7.275 -3.167 46 HG3 GLU 6 HG3 GLU 6 -9.008 -6.547 -1.646 47 H HIS 7 H HIS 7 -4.870 -8.256 0.541 48 HA HIS 7 HA HIS 7 -5.255 -10.932 1.321 49 HB2 HIS 7 HB2 HIS 7 -3.059 -8.947 1.911 50 HB3 HIS 7 HB3 HIS 7 -3.004 -10.613 2.475 51 HD1 HIS 7 HD1 HIS 7 -3.346 -8.781 -0.882 52 HD2 HIS 7 HD2 HIS 7 -1.822 -12.287 0.765 53 HE1 HIS 7 HE1 HIS 7 -2.123 -9.976 -2.742 54 H LYS 8 H LYS 8 -5.017 -7.926 3.180 55 HA LYS 8 HA LYS 8 -5.075 -9.046 5.750 56 HB2 LYS 8 HB2 LYS 8 -6.380 -6.407 5.144 57 HB3 LYS 8 HB3 LYS 8 -5.485 -6.889 6.577 58 HG2 LYS 8 HG2 LYS 8 -4.333 -6.341 3.857 59 HG3 LYS 8 HG3 LYS 8 -4.231 -5.295 5.273 60 HD2 LYS 8 HD2 LYS 8 -3.000 -7.102 6.450 61 HD3 LYS 8 HD3 LYS 8 -3.012 -8.036 4.948 62 HE2 LYS 8 HE2 LYS 8 -1.752 -6.325 3.817 63 HE3 LYS 8 HE3 LYS 8 -1.857 -5.267 5.227 64 HZ1 LYS 8 HZ1 LYS 8 -0.611 -7.008 6.478 65 HZ2 LYS 8 HZ2 LYS 8 0.281 -6.260 5.246 66 HZ3 LYS 8 HZ3 LYS 8 -0.350 -7.820 5.010 67 H VAL 9 H VAL 9 -7.734 -7.796 3.754 68 HA VAL 9 HA VAL 9 -9.732 -8.190 5.702 69 HB VAL 9 HB VAL 9 -10.051 -6.657 3.853 70 HG11 VAL 9 HG11 VAL 9 -10.136 -9.096 2.100 71 HG12 VAL 9 HG12 VAL 9 -8.923 -7.815 2.078 72 HG13 VAL 9 HG13 VAL 9 -10.583 -7.468 1.593 73 HG21 VAL 9 HG21 VAL 9 -12.080 -8.883 3.822 74 HG22 VAL 9 HG22 VAL 9 -12.351 -7.240 3.245 75 HG23 VAL 9 HG23 VAL 9 -12.032 -7.533 4.954 76 H TYR 10 H TYR 10 -8.445 -10.311 3.199 77 HA TYR 10 HA TYR 10 -10.428 -12.335 3.557 78 HB2 TYR 10 HB2 TYR 10 -7.628 -12.552 2.442 79 HB3 TYR 10 HB3 TYR 10 -8.833 -13.825 2.378 80 HD1 TYR 10 HD2 TYR 10 -10.779 -11.070 1.893 81 HD2 TYR 10 HD1 TYR 10 -7.696 -13.221 -0.097 82 HE1 TYR 10 HE2 TYR 10 -11.578 -10.205 -0.264 83 HE2 TYR 10 HE1 TYR 10 -8.486 -12.360 -2.259 84 HH TYR 10 HH TYR 10 -10.620 -9.786 -2.545 85 H GLN 11 H GLN 11 -7.448 -11.477 5.124 86 HA GLN 11 HA GLN 11 -6.725 -13.946 6.235 87 HB2 GLN 11 HB2 GLN 11 -6.200 -11.134 7.161 88 HB3 GLN 11 HB3 GLN 11 -5.538 -12.538 7.981 89 HG2 GLN 11 HG2 GLN 11 -5.031 -11.758 5.120 90 HG3 GLN 11 HG3 GLN 11 -3.925 -11.531 6.473 91 HE21 GLN 11 HE21 GLN 11 -5.326 -13.803 4.265 92 HE22 GLN 11 HE22 GLN 11 -4.271 -15.124 4.633 93 H LEU 12 H LEU 12 -8.649 -11.325 7.628 94 HA LEU 12 HA LEU 12 -9.050 -12.916 10.023 95 HB2 LEU 12 HB2 LEU 12 -10.404 -10.671 10.566 96 HB3 LEU 12 HB3 LEU 12 -8.694 -10.876 10.850 97 HG LEU 12 HG LEU 12 -8.365 -9.844 8.517 98 HD11 LEU 12 HD11 LEU 12 -10.667 -10.001 7.754 99 HD12 LEU 12 HD12 LEU 12 -10.134 -8.320 7.799 100 HD13 LEU 12 HD13 LEU 12 -11.188 -8.944 9.067 101 HD21 LEU 12 HD21 LEU 12 -8.471 -7.580 9.446 102 HD22 LEU 12 HD22 LEU 12 -7.767 -8.724 10.589 103 HD23 LEU 12 HD23 LEU 12 -9.433 -8.181 10.797 104 H LEU 13 H LEU 13 -10.965 -11.578 7.389 105 HA LEU 13 HA LEU 13 -13.471 -12.108 8.552 106 HB2 LEU 13 HB2 LEU 13 -12.636 -11.781 5.693 107 HB3 LEU 13 HB3 LEU 13 -14.304 -12.055 6.163 108 HG LEU 13 HG LEU 13 -12.573 -9.685 6.815 109 HD11 LEU 13 HD11 LEU 13 -15.251 -9.940 5.460 110 HD12 LEU 13 HD12 LEU 13 -13.705 -9.749 4.632 111 HD13 LEU 13 HD13 LEU 13 -14.315 -8.460 5.673 112 HD21 LEU 13 HD21 LEU 13 -13.747 -10.314 8.840 113 HD22 LEU 13 HD22 LEU 13 -15.264 -10.436 7.949 114 HD23 LEU 13 HD23 LEU 13 -14.481 -8.867 8.146 115 H LYS 14 H LYS 14 -11.511 -14.051 6.323 116 HA LYS 14 HA LYS 14 -13.413 -16.144 6.138 117 HB2 LYS 14 HB2 LYS 14 -11.832 -17.329 4.924 118 HB3 LYS 14 HB3 LYS 14 -11.348 -15.663 4.643 119 HG2 LYS 14 HG2 LYS 14 -9.597 -15.867 6.306 120 HG3 LYS 14 HG3 LYS 14 -10.113 -17.515 6.657 121 HD2 LYS 14 HD2 LYS 14 -9.643 -18.109 4.290 122 HD3 LYS 14 HD3 LYS 14 -8.985 -16.487 4.057 123 HE2 LYS 14 HE2 LYS 14 -7.353 -16.942 5.860 124 HE3 LYS 14 HE3 LYS 14 -7.979 -18.587 5.970 125 HZ1 LYS 14 HZ1 LYS 14 -6.690 -17.365 3.588 126 HZ2 LYS 14 HZ2 LYS 14 -7.326 -18.935 3.654 127 HZ3 LYS 14 HZ3 LYS 14 -5.997 -18.517 4.620 128 H ASP 15 H ASP 15 -11.173 -15.228 8.563 129 HA ASP 15 HA ASP 15 -11.058 -17.762 9.909 130 HB2 ASP 15 HB2 ASP 15 -9.306 -16.035 10.196 131 HB3 ASP 15 HB3 ASP 15 -10.484 -14.984 10.968 132 H GLN 16 H GLN 16 -12.850 -14.750 10.302 133 HA GLN 16 HA GLN 16 -14.279 -15.460 12.633 134 HB2 GLN 16 HB2 GLN 16 -15.419 -13.611 10.552 135 HB3 GLN 16 HB3 GLN 16 -15.569 -13.528 12.301 136 HG2 GLN 16 HG2 GLN 16 -12.943 -13.213 12.074 137 HG3 GLN 16 HG3 GLN 16 -13.436 -12.581 10.511 138 HE21 GLN 16 HE21 GLN 16 -12.997 -10.499 10.889 139 HE22 GLN 16 HE22 GLN 16 -13.834 -9.514 12.035 140 H GLY 17 H GLY 17 -14.619 -16.394 9.385 141 HA2 GLY 17 HA2 GLY 17 -15.990 -18.321 8.896 142 HA3 GLY 17 HA3 GLY 17 -17.174 -17.697 10.037 143 H CYS 18 H CYS 18 -15.498 -15.720 7.664 144 HA CYS 18 HA CYS 18 -18.020 -15.619 6.121 145 HB2 CYS 18 HB2 CYS 18 -17.179 -13.496 7.424 146 HB3 CYS 18 HB3 CYS 18 -16.050 -13.356 6.077 147 H GLU 19 H GLU 19 -17.880 -16.089 3.979 148 HA GLU 19 HA GLU 19 -15.233 -15.709 2.718 149 HB2 GLU 19 HB2 GLU 19 -15.673 -17.513 1.197 150 HB3 GLU 19 HB3 GLU 19 -15.946 -18.106 2.829 151 HG2 GLU 19 HG2 GLU 19 -18.156 -17.159 1.034 152 HG3 GLU 19 HG3 GLU 19 -17.617 -18.833 1.112 153 H ASP 20 H ASP 20 -18.355 -14.641 2.942 154 HA ASP 20 HA ASP 20 -18.714 -13.917 0.176 155 HB2 ASP 20 HB2 ASP 20 -20.678 -14.645 1.394 156 HB3 ASP 20 HB3 ASP 20 -20.421 -13.401 2.614 157 H PHE 21 H PHE 21 -16.851 -12.610 0.050 158 HA PHE 21 HA PHE 21 -17.525 -9.845 0.246 159 HB2 PHE 21 HB2 PHE 21 -15.337 -9.266 1.469 160 HB3 PHE 21 HB3 PHE 21 -16.683 -9.842 2.443 161 HD1 PHE 21 HD1 PHE 21 -13.353 -10.657 1.134 162 HD2 PHE 21 HD2 PHE 21 -16.606 -11.965 3.534 163 HE1 PHE 21 HE1 PHE 21 -11.930 -12.416 2.102 164 HE2 PHE 21 HE2 PHE 21 -15.199 -13.722 4.500 165 HZ PHE 21 HZ PHE 21 -12.843 -13.957 3.797 166 H GLY 22 H GLY 22 -16.043 -8.499 -0.954 167 HA2 GLY 22 HA2 GLY 22 -13.761 -9.518 -2.272 168 HA3 GLY 22 HA3 GLY 22 -15.160 -9.698 -3.321 169 H THR 23 H THR 23 -13.533 -8.189 -4.521 170 HA THR 23 HA THR 23 -13.997 -5.402 -3.713 171 HB THR 23 HB THR 23 -12.104 -4.973 -5.406 172 HG1 THR 23 HG1 THR 23 -10.702 -7.036 -5.324 173 HG21 THR 23 HG21 THR 23 -10.389 -5.446 -3.721 174 HG22 THR 23 HG22 THR 23 -11.524 -6.488 -2.862 175 HG23 THR 23 HG23 THR 23 -11.840 -4.758 -2.985 176 H LYS 24 H LYS 24 -14.667 -3.872 -5.256 177 HA LYS 24 HA LYS 24 -15.474 -4.936 -7.880 178 HB2 LYS 24 HB2 LYS 24 -17.567 -3.814 -7.823 179 HB3 LYS 24 HB3 LYS 24 -17.443 -4.681 -6.298 180 HG2 LYS 24 HG2 LYS 24 -16.889 -2.666 -5.127 181 HG3 LYS 24 HG3 LYS 24 -16.788 -1.763 -6.639 182 HD2 LYS 24 HD2 LYS 24 -19.270 -3.051 -5.509 183 HD3 LYS 24 HD3 LYS 24 -18.894 -1.329 -5.476 184 HE2 LYS 24 HE2 LYS 24 -19.050 -1.163 -7.839 185 HE3 LYS 24 HE3 LYS 24 -19.104 -2.914 -8.025 186 HZ1 LYS 24 HZ1 LYS 24 -21.282 -1.782 -8.275 187 HZ2 LYS 24 HZ2 LYS 24 -21.208 -1.343 -6.636 188 HZ3 LYS 24 HZ3 LYS 24 -21.266 -2.979 -7.080 189 H CYS 25 H CYS 25 -15.691 -3.302 -9.530 190 HA CYS 25 HA CYS 25 -14.547 -0.683 -8.890 191 HB2 CYS 25 HB2 CYS 25 -12.714 -2.001 -9.847 192 HB3 CYS 25 HB3 CYS 25 -13.714 -2.413 -11.235 193 HG CYS 25 HG CYS 25 -13.755 0.087 -12.342 194 H VAL 26 H VAL 26 -16.749 0.001 -8.956 195 HA VAL 26 HA VAL 26 -18.194 -0.345 -11.454 196 HB VAL 26 HB VAL 26 -19.516 -0.537 -9.442 197 HG11 VAL 26 HG11 VAL 26 -19.869 1.335 -7.907 198 HG12 VAL 26 HG12 VAL 26 -18.674 2.283 -8.793 199 HG13 VAL 26 HG13 VAL 26 -18.181 0.825 -7.933 200 HG21 VAL 26 HG21 VAL 26 -20.139 2.021 -10.913 201 HG22 VAL 26 HG22 VAL 26 -21.272 1.119 -9.907 202 HG23 VAL 26 HG23 VAL 26 -20.634 0.393 -11.383 203 H ILE 27 H ILE 27 -17.813 0.971 -13.102 204 HA ILE 27 HA ILE 27 -16.442 3.440 -12.736 205 HB ILE 27 HB ILE 27 -17.733 2.232 -15.173 206 HG12 ILE 27 HG12 ILE 27 -14.850 2.712 -14.377 207 HG13 ILE 27 HG13 ILE 27 -15.675 1.155 -14.361 208 HG21 ILE 27 HG21 ILE 27 -17.884 4.678 -15.278 209 HG22 ILE 27 HG22 ILE 27 -16.734 4.050 -16.463 210 HG23 ILE 27 HG23 ILE 27 -16.149 4.794 -14.972 211 HD11 ILE 27 HD11 ILE 27 -15.949 1.290 -16.787 212 HD12 ILE 27 HD12 ILE 27 -14.254 1.360 -16.304 213 HD13 ILE 27 HD13 ILE 27 -15.096 2.834 -16.787 214 H GLU 28 H GLU 28 -17.220 5.338 -12.322 215 HA GLU 28 HA GLU 28 -20.051 5.882 -12.881 216 HB2 GLU 28 HB2 GLU 28 -18.339 6.768 -10.560 217 HB3 GLU 28 HB3 GLU 28 -19.868 7.545 -10.963 218 HG2 GLU 28 HG2 GLU 28 -20.938 5.274 -10.752 219 HG3 GLU 28 HG3 GLU 28 -19.408 4.707 -10.090 220 H GLU 29 H GLU 29 -20.067 7.052 -14.637 221 HA GLU 29 HA GLU 29 -17.865 8.822 -15.276 222 HB2 GLU 29 HB2 GLU 29 -19.026 9.124 -17.439 223 HB3 GLU 29 HB3 GLU 29 -18.715 7.436 -17.072 224 HG2 GLU 29 HG2 GLU 29 -21.367 8.773 -16.594 225 HG3 GLU 29 HG3 GLU 29 -20.950 7.939 -18.088 226 H VAL 30 H VAL 30 -17.875 10.960 -15.086 227 HA VAL 30 HA VAL 30 -20.171 12.183 -13.798 228 HB VAL 30 HB VAL 30 -17.456 13.353 -14.471 229 HG11 VAL 30 HG11 VAL 30 -19.690 14.450 -12.765 230 HG12 VAL 30 HG12 VAL 30 -19.135 15.099 -14.309 231 HG13 VAL 30 HG13 VAL 30 -18.074 15.141 -12.900 232 HG21 VAL 30 HG21 VAL 30 -17.010 13.109 -12.072 233 HG22 VAL 30 HG22 VAL 30 -17.322 11.551 -12.837 234 HG23 VAL 30 HG23 VAL 30 -18.574 12.323 -11.865 235 H LYS 31 H LYS 31 -21.754 12.557 -15.231 236 HA LYS 31 HA LYS 31 -21.312 13.464 -17.894 237 HB2 LYS 31 HB2 LYS 31 -23.864 13.734 -16.299 238 HB3 LYS 31 HB3 LYS 31 -23.699 13.660 -18.048 239 HG2 LYS 31 HG2 LYS 31 -22.915 11.336 -17.856 240 HG3 LYS 31 HG3 LYS 31 -23.156 11.421 -16.109 241 HD2 LYS 31 HD2 LYS 31 -25.562 12.016 -16.593 242 HD3 LYS 31 HD3 LYS 31 -25.238 11.596 -18.277 243 HE2 LYS 31 HE2 LYS 31 -24.953 9.767 -15.891 244 HE3 LYS 31 HE3 LYS 31 -26.243 9.720 -17.090 245 HZ1 LYS 31 HZ1 LYS 31 -23.366 9.201 -17.609 246 HZ2 LYS 31 HZ2 LYS 31 -24.579 9.197 -18.786 247 HZ3 LYS 31 HZ3 LYS 31 -24.594 8.042 -17.550 248 H SER 32 H SER 32 -20.296 15.371 -18.144 249 HA SER 32 HA SER 32 -20.780 17.492 -16.225 250 HB2 SER 32 HB2 SER 32 -18.463 16.858 -16.839 251 HB3 SER 32 HB3 SER 32 -18.777 17.396 -18.489 252 HG SER 32 HG SER 32 -17.733 18.968 -17.087 253 H SER 33 H SER 33 -22.999 17.705 -17.109 254 HA SER 33 HA SER 33 -24.532 19.120 -18.002 255 HB2 SER 33 HB2 SER 33 -22.178 20.932 -18.535 256 HB3 SER 33 HB3 SER 33 -23.855 21.404 -18.259 257 HG SER 33 HG SER 33 -23.374 20.098 -16.152 258 H HIS 34 H HIS 34 -23.134 17.244 -19.886 259 HA HIS 34 HA HIS 34 -22.747 16.863 -22.108 260 HB2 HIS 34 HB2 HIS 34 -25.283 17.203 -21.936 261 HB3 HIS 34 HB3 HIS 34 -25.010 18.816 -22.583 262 HD1 HIS 34 HD1 HIS 34 -25.423 15.297 -23.616 263 HD2 HIS 34 HD2 HIS 34 -24.015 18.842 -25.272 264 HE1 HIS 34 HE1 HIS 34 -25.312 14.924 -26.114 265 H LYS 35 H LYS 35 -20.873 18.463 -21.290 266 HA LYS 35 HA LYS 35 -20.751 21.065 -22.299 267 HB2 LYS 35 HB2 LYS 35 -19.289 20.265 -20.520 268 HB3 LYS 35 HB3 LYS 35 -18.501 19.163 -21.639 269 HG2 LYS 35 HG2 LYS 35 -17.129 21.117 -21.249 270 HG3 LYS 35 HG3 LYS 35 -17.671 21.064 -22.928 271 HD2 LYS 35 HD2 LYS 35 -19.458 22.673 -22.370 272 HD3 LYS 35 HD3 LYS 35 -18.840 22.757 -20.719 273 HE2 LYS 35 HE2 LYS 35 -16.700 23.581 -21.565 274 HE3 LYS 35 HE3 LYS 35 -17.319 23.501 -23.213 275 HZ1 LYS 35 HZ1 LYS 35 -18.321 25.244 -21.029 276 HZ2 LYS 35 HZ2 LYS 35 -19.040 25.116 -22.558 277 HZ3 LYS 35 HZ3 LYS 35 -17.469 25.737 -22.410 278 H THR 36 H THR 36 -19.821 18.002 -23.748 279 HA THR 36 HA THR 36 -18.969 19.457 -26.136 280 HB THR 36 HB THR 36 -17.255 17.981 -25.302 281 HG1 THR 36 HG1 THR 36 -17.568 18.137 -27.607 282 HG21 THR 36 HG21 THR 36 -17.528 15.592 -25.088 283 HG22 THR 36 HG22 THR 36 -19.198 15.699 -25.645 284 HG23 THR 36 HG23 THR 36 -18.738 16.409 -24.095 285 H LEU 37 H LEU 37 -20.510 19.722 -27.566 286 HA LEU 37 HA LEU 37 -22.563 17.661 -27.898 287 HB2 LEU 37 HB2 LEU 37 -22.387 20.460 -29.029 288 HB3 LEU 37 HB3 LEU 37 -23.706 19.348 -29.319 289 HG LEU 37 HG LEU 37 -24.027 19.377 -26.758 290 HD11 LEU 37 HD11 LEU 37 -23.333 21.446 -25.663 291 HD12 LEU 37 HD12 LEU 37 -22.430 21.907 -27.106 292 HD13 LEU 37 HD13 LEU 37 -21.942 20.490 -26.175 293 HD21 LEU 37 HD21 LEU 37 -24.626 21.841 -28.383 294 HD22 LEU 37 HD22 LEU 37 -25.461 21.329 -26.916 295 HD23 LEU 37 HD23 LEU 37 -25.574 20.355 -28.383 296 H LEU 38 H LEU 38 -21.989 16.104 -29.310 297 HA LEU 38 HA LEU 38 -20.837 16.984 -31.847 298 HB2 LEU 38 HB2 LEU 38 -19.204 15.161 -31.874 299 HB3 LEU 38 HB3 LEU 38 -18.909 16.310 -30.595 300 HG LEU 38 HG LEU 38 -20.099 13.544 -30.187 301 HD11 LEU 38 HD11 LEU 38 -17.802 13.442 -30.931 302 HD12 LEU 38 HD12 LEU 38 -17.939 13.004 -29.226 303 HD13 LEU 38 HD13 LEU 38 -17.335 14.597 -29.684 304 HD21 LEU 38 HD21 LEU 38 -19.149 15.603 -28.201 305 HD22 LEU 38 HD22 LEU 38 -19.629 13.947 -27.821 306 HD23 LEU 38 HD23 LEU 38 -20.817 15.088 -28.451 307 H ASN 39 H ASN 39 -21.752 13.927 -30.293 308 HA ASN 39 HA ASN 39 -23.990 13.436 -31.927 309 HB2 ASN 39 HB2 ASN 39 -22.322 13.130 -33.711 310 HB3 ASN 39 HB3 ASN 39 -21.452 11.973 -32.711 311 HD21 ASN 39 HD21 ASN 39 -24.945 12.171 -32.947 312 HD22 ASN 39 HD22 ASN 39 -25.161 10.647 -33.749 313 H THR 40 H THR 40 -21.392 11.229 -31.048 314 HA THR 40 HA THR 40 -23.033 10.229 -28.829 315 HB THR 40 HB THR 40 -21.176 8.424 -28.783 316 HG1 THR 40 HG1 THR 40 -20.199 9.905 -30.709 317 HG21 THR 40 HG21 THR 40 -22.337 7.087 -30.497 318 HG22 THR 40 HG22 THR 40 -23.124 8.550 -31.088 319 HG23 THR 40 HG23 THR 40 -23.470 7.956 -29.463 320 H GLU 41 H GLU 41 -22.048 10.099 -26.743 321 HA GLU 41 HA GLU 41 -20.332 12.181 -26.031 322 HB2 GLU 41 HB2 GLU 41 -19.946 10.674 -23.937 323 HB3 GLU 41 HB3 GLU 41 -21.543 11.343 -24.243 324 HG2 GLU 41 HG2 GLU 41 -22.259 9.242 -25.218 325 HG3 GLU 41 HG3 GLU 41 -20.648 8.571 -24.977 326 H LEU 42 H LEU 42 -18.571 12.294 -27.290 327 HA LEU 42 HA LEU 42 -16.856 10.628 -28.374 328 HB2 LEU 42 HB2 LEU 42 -16.726 13.227 -27.892 329 HB3 LEU 42 HB3 LEU 42 -15.573 12.720 -26.676 330 HG LEU 42 HG LEU 42 -15.349 12.205 -29.645 331 HD11 LEU 42 HD11 LEU 42 -15.007 14.536 -29.069 332 HD12 LEU 42 HD12 LEU 42 -13.480 13.779 -29.524 333 HD13 LEU 42 HD13 LEU 42 -13.846 14.075 -27.825 334 HD21 LEU 42 HD21 LEU 42 -13.102 11.401 -29.142 335 HD22 LEU 42 HD22 LEU 42 -14.325 10.410 -28.346 336 HD23 LEU 42 HD23 LEU 42 -13.411 11.600 -27.417 337 H HIS 43 H HIS 43 -15.762 11.867 -25.260 338 HA HIS 43 HA HIS 43 -15.547 9.206 -24.123 339 HB2 HIS 43 HB2 HIS 43 -13.170 11.015 -24.572 340 HB3 HIS 43 HB3 HIS 43 -13.184 9.813 -23.289 341 HD1 HIS 43 HD1 HIS 43 -14.169 7.321 -24.585 342 HD2 HIS 43 HD2 HIS 43 -11.715 10.028 -26.573 343 HE1 HIS 43 HE1 HIS 43 -13.032 6.029 -26.444 344 H LEU 44 H LEU 44 -16.979 9.675 -22.530 345 HA LEU 44 HA LEU 44 -17.037 12.222 -21.242 346 HB2 LEU 44 HB2 LEU 44 -19.030 10.747 -21.561 347 HB3 LEU 44 HB3 LEU 44 -18.356 9.649 -20.372 348 HG LEU 44 HG LEU 44 -18.508 11.408 -18.658 349 HD11 LEU 44 HD11 LEU 44 -18.266 13.362 -20.081 350 HD12 LEU 44 HD12 LEU 44 -19.752 13.464 -19.137 351 HD13 LEU 44 HD13 LEU 44 -19.819 13.019 -20.843 352 HD21 LEU 44 HD21 LEU 44 -20.350 9.838 -18.948 353 HD22 LEU 44 HD22 LEU 44 -21.086 10.912 -20.138 354 HD23 LEU 44 HD23 LEU 44 -20.939 11.425 -18.457 355 H THR 45 H THR 45 -16.332 12.787 -19.212 356 HA THR 45 HA THR 45 -13.998 11.488 -18.278 357 HB THR 45 HB THR 45 -15.556 13.426 -16.604 358 HG1 THR 45 HG1 THR 45 -13.913 14.123 -18.835 359 HG21 THR 45 HG21 THR 45 -13.467 12.478 -15.722 360 HG22 THR 45 HG22 THR 45 -13.328 14.215 -15.993 361 HG23 THR 45 HG23 THR 45 -12.604 13.084 -17.136 362 H LYS 46 H LYS 46 -14.288 9.476 -17.548 363 HA LYS 46 HA LYS 46 -16.405 9.013 -15.588 364 HB2 LYS 46 HB2 LYS 46 -16.675 6.924 -16.416 365 HB3 LYS 46 HB3 LYS 46 -15.911 7.624 -17.836 366 HG2 LYS 46 HG2 LYS 46 -14.420 6.156 -15.680 367 HG3 LYS 46 HG3 LYS 46 -15.023 5.403 -17.155 368 HD2 LYS 46 HD2 LYS 46 -13.535 6.584 -18.505 369 HD3 LYS 46 HD3 LYS 46 -13.237 7.806 -17.263 370 HE2 LYS 46 HE2 LYS 46 -12.064 6.206 -15.911 371 HE3 LYS 46 HE3 LYS 46 -12.440 4.915 -17.050 372 HZ1 LYS 46 HZ1 LYS 46 -11.170 6.199 -18.743 373 HZ2 LYS 46 HZ2 LYS 46 -10.226 5.619 -17.468 374 HZ3 LYS 46 HZ3 LYS 46 -10.668 7.252 -17.511 375 H TYR 47 H TYR 47 -15.936 7.769 -13.708 376 HA TYR 47 HA TYR 47 -13.105 7.805 -12.949 377 HB2 TYR 47 HB2 TYR 47 -15.485 8.758 -11.360 378 HB3 TYR 47 HB3 TYR 47 -13.949 8.358 -10.603 379 HD1 TYR 47 HD2 TYR 47 -15.589 10.661 -13.007 380 HD2 TYR 47 HD1 TYR 47 -12.130 9.865 -10.659 381 HE1 TYR 47 HE2 TYR 47 -14.753 12.923 -13.475 382 HE2 TYR 47 HE1 TYR 47 -11.291 12.127 -11.117 383 HH TYR 47 HH TYR 47 -13.256 14.537 -12.646 384 H TYR 48 H TYR 48 -12.381 6.164 -11.729 385 HA TYR 48 HA TYR 48 -13.911 3.743 -11.774 386 HB2 TYR 48 HB2 TYR 48 -11.174 4.412 -10.685 387 HB3 TYR 48 HB3 TYR 48 -11.886 2.808 -10.570 388 HD1 TYR 48 HD2 TYR 48 -13.189 3.705 -13.521 389 HD2 TYR 48 HD1 TYR 48 -9.350 2.997 -11.832 390 HE1 TYR 48 HE2 TYR 48 -12.321 3.139 -15.749 391 HE2 TYR 48 HE1 TYR 48 -8.471 2.430 -14.054 392 HH TYR 48 HH TYR 48 -9.310 1.633 -16.210 393 H GLY 49 H GLY 49 -15.546 3.611 -10.374 394 HA2 GLY 49 HA2 GLY 49 -15.284 4.590 -7.663 395 HA3 GLY 49 HA3 GLY 49 -16.687 3.785 -8.359 396 H PHE 50 H PHE 50 -13.342 3.166 -7.354 397 HA PHE 50 HA PHE 50 -13.624 0.364 -7.113 398 HB2 PHE 50 HB2 PHE 50 -11.640 2.394 -6.293 399 HB3 PHE 50 HB3 PHE 50 -11.674 0.935 -5.310 400 HD1 PHE 50 HD2 PHE 50 -11.393 -1.284 -6.439 401 HD2 PHE 50 HD1 PHE 50 -10.594 2.402 -8.411 402 HE1 PHE 50 HE2 PHE 50 -10.032 -2.471 -8.104 403 HE2 PHE 50 HE1 PHE 50 -9.247 1.224 -10.071 404 HZ PHE 50 HZ PHE 50 -8.943 -1.207 -9.915 405 H SER 51 H SER 51 -14.356 -0.879 -5.471 406 HA SER 51 HA SER 51 -14.895 0.308 -2.878 407 HB2 SER 51 HB2 SER 51 -17.167 -0.975 -4.401 408 HB3 SER 51 HB3 SER 51 -17.242 -0.115 -2.865 409 HG SER 51 HG SER 51 -16.174 1.512 -4.668 410 H PHE 52 H PHE 52 -15.550 -1.320 -1.300 411 HA PHE 52 HA PHE 52 -14.861 -4.053 -2.165 412 HB2 PHE 52 HB2 PHE 52 -13.249 -2.972 -0.523 413 HB3 PHE 52 HB3 PHE 52 -14.567 -2.973 0.646 414 HD1 PHE 52 HD2 PHE 52 -15.489 -5.111 1.464 415 HD2 PHE 52 HD1 PHE 52 -12.054 -4.953 -1.037 416 HE1 PHE 52 HE2 PHE 52 -14.942 -7.422 2.084 417 HE2 PHE 52 HE1 PHE 52 -11.499 -7.269 -0.424 418 HZ PHE 52 HZ PHE 52 -12.946 -8.507 1.138 419 H PHE 53 H PHE 53 -16.298 -5.546 -1.941 420 HA PHE 53 HA PHE 53 -18.897 -4.809 -0.832 421 HB2 PHE 53 HB2 PHE 53 -17.970 -6.521 -2.994 422 HB3 PHE 53 HB3 PHE 53 -19.169 -7.311 -1.974 423 HD1 PHE 53 HD1 PHE 53 -21.195 -5.693 -1.335 424 HD2 PHE 53 HD2 PHE 53 -18.747 -5.368 -4.792 425 HE1 PHE 53 HE1 PHE 53 -22.999 -4.486 -2.480 426 HE2 PHE 53 HE2 PHE 53 -20.562 -4.166 -5.957 427 HZ PHE 53 HZ PHE 53 -22.684 -3.711 -4.788 428 H ARG 54 H ARG 54 -19.903 -5.840 0.744 429 HA ARG 54 HA ARG 54 -18.815 -8.312 1.864 430 HB2 ARG 54 HB2 ARG 54 -17.710 -6.689 3.215 431 HB3 ARG 54 HB3 ARG 54 -19.163 -5.712 3.352 432 HG2 ARG 54 HG2 ARG 54 -18.734 -6.832 5.427 433 HG3 ARG 54 HG3 ARG 54 -20.203 -7.484 4.698 434 HD2 ARG 54 HD2 ARG 54 -18.990 -9.427 3.919 435 HD3 ARG 54 HD3 ARG 54 -17.473 -8.755 4.524 436 HE ARG 54 HE ARG 54 -19.581 -9.989 6.078 437 HH11 ARG 54 1HH1 ARG 54 -16.751 -7.990 6.064 438 HH12 ARG 54 2HH1 ARG 54 -16.374 -8.235 7.739 439 HH21 ARG 54 1HH2 ARG 54 -19.120 -10.346 8.318 440 HH22 ARG 54 2HH2 ARG 54 -17.735 -9.591 9.029 441 H HIS 55 H HIS 55 -20.611 -9.574 1.582 442 HA HIS 55 HA HIS 55 -22.754 -10.338 1.686 443 HB2 HIS 55 HB2 HIS 55 -22.629 -8.486 4.023 444 HB3 HIS 55 HB3 HIS 55 -24.191 -9.147 3.553 445 HD1 HIS 55 HD1 HIS 55 -24.752 -11.290 4.683 446 HD2 HIS 55 HD2 HIS 55 -20.646 -10.691 4.390 447 HE1 HIS 55 HE1 HIS 55 -23.652 -13.263 5.835 448 H GLY 56 H GLY 56 -22.151 -8.088 -0.099 449 HA2 GLY 56 HA2 GLY 56 -23.501 -7.067 -1.704 450 HA3 GLY 56 HA3 GLY 56 -24.900 -7.375 -0.686 451 H ASN 57 H ASN 57 -22.655 -6.052 1.306 452 HA ASN 57 HA ASN 57 -23.712 -3.341 0.895 453 HB2 ASN 57 HB2 ASN 57 -22.141 -4.318 3.281 454 HB3 ASN 57 HB3 ASN 57 -23.090 -2.845 3.154 455 HD21 ASN 57 HD21 ASN 57 -23.098 -6.205 3.729 456 HD22 ASN 57 HD22 ASN 57 -24.760 -6.354 4.216 457 H ILE 58 H ILE 58 -22.043 -1.639 1.626 458 HA ILE 58 HA ILE 58 -19.528 -2.238 0.214 459 HB ILE 58 HB ILE 58 -21.115 0.315 0.380 460 HG12 ILE 58 HG12 ILE 58 -21.599 -1.463 -1.378 461 HG13 ILE 58 HG13 ILE 58 -21.260 0.155 -1.989 462 HG21 ILE 58 HG21 ILE 58 -19.288 1.433 -0.816 463 HG22 ILE 58 HG22 ILE 58 -18.297 -0.017 -0.642 464 HG23 ILE 58 HG23 ILE 58 -18.790 0.892 0.788 465 HD11 ILE 58 HD11 ILE 58 -19.290 -2.120 -1.877 466 HD12 ILE 58 HD12 ILE 58 -18.997 -0.511 -2.540 467 HD13 ILE 58 HD13 ILE 58 -20.168 -1.582 -3.311 468 H VAL 59 H VAL 59 -17.921 -2.477 1.572 469 HA VAL 59 HA VAL 59 -17.949 -1.121 4.153 470 HB VAL 59 HB VAL 59 -16.059 -3.196 3.030 471 HG11 VAL 59 HG11 VAL 59 -16.106 -1.863 5.733 472 HG12 VAL 59 HG12 VAL 59 -14.807 -1.813 4.541 473 HG13 VAL 59 HG13 VAL 59 -15.191 -3.324 5.366 474 HG21 VAL 59 HG21 VAL 59 -18.266 -4.068 3.566 475 HG22 VAL 59 HG22 VAL 59 -18.168 -3.361 5.179 476 HG23 VAL 59 HG23 VAL 59 -17.065 -4.661 4.719 477 H ALA 60 H ALA 60 -16.139 -1.196 1.140 478 HA ALA 60 HA ALA 60 -14.736 1.236 2.048 479 HB1 ALA 60 1HB ALA 60 -13.163 -0.640 2.040 480 HB2 ALA 60 HB2 ALA 60 -12.752 0.558 0.811 481 HB3 ALA 60 HB3 ALA 60 -13.542 -0.950 0.344 482 H TYR 61 H TYR 61 -14.496 2.858 0.551 483 HA TYR 61 HA TYR 61 -15.317 2.383 -2.195 484 HB2 TYR 61 HB2 TYR 61 -17.381 3.038 -0.978 485 HB3 TYR 61 HB3 TYR 61 -16.597 4.535 -0.489 486 HD1 TYR 61 HD1 TYR 61 -17.933 2.641 -3.333 487 HD2 TYR 61 HD2 TYR 61 -16.407 6.389 -2.029 488 HE1 TYR 61 HE1 TYR 61 -18.693 3.665 -5.426 489 HE2 TYR 61 HE2 TYR 61 -17.168 7.431 -4.127 490 HH TYR 61 HH TYR 61 -19.196 5.743 -6.400 491 H GLY 62 H GLY 62 -14.168 3.569 -3.615 492 HA2 GLY 62 HA2 GLY 62 -12.927 6.068 -2.817 493 HA3 GLY 62 HA3 GLY 62 -11.808 4.755 -3.157 494 H LYS 63 H LYS 63 -13.611 7.272 -4.476 495 HA LYS 63 HA LYS 63 -13.522 6.133 -7.176 496 HB2 LYS 63 HB2 LYS 63 -15.673 7.033 -6.579 497 HB3 LYS 63 HB3 LYS 63 -14.949 8.546 -6.054 498 HG2 LYS 63 HG2 LYS 63 -14.276 9.015 -8.361 499 HG3 LYS 63 HG3 LYS 63 -15.032 7.507 -8.880 500 HD2 LYS 63 HD2 LYS 63 -16.485 9.755 -7.494 501 HD3 LYS 63 HD3 LYS 63 -16.437 9.528 -9.244 502 HE2 LYS 63 HE2 LYS 63 -17.557 7.421 -9.066 503 HE3 LYS 63 HE3 LYS 63 -17.438 7.450 -7.307 504 HZ1 LYS 63 HZ1 LYS 63 -18.960 9.441 -8.903 505 HZ2 LYS 63 HZ2 LYS 63 -18.951 9.274 -7.213 506 HZ3 LYS 63 HZ3 LYS 63 -19.652 8.071 -8.182 507 H SER 64 H SER 64 -11.987 6.699 -8.538 508 HA SER 64 HA SER 64 -10.956 9.396 -8.613 509 HB2 SER 64 HB2 SER 64 -9.099 7.065 -8.058 510 HB3 SER 64 HB3 SER 64 -8.582 8.700 -8.467 511 HG SER 64 HG SER 64 -10.334 8.739 -6.413 512 H ARG 65 H ARG 65 -9.628 9.762 -10.563 513 HA ARG 65 HA ARG 65 -10.380 7.956 -12.720 514 HB2 ARG 65 HB2 ARG 65 -9.426 9.614 -14.229 515 HB3 ARG 65 HB3 ARG 65 -10.538 10.384 -13.109 516 HG2 ARG 65 HG2 ARG 65 -8.719 11.269 -11.823 517 HG3 ARG 65 HG3 ARG 65 -7.545 10.375 -12.795 518 HD2 ARG 65 HD2 ARG 65 -9.400 12.528 -13.813 519 HD3 ARG 65 HD3 ARG 65 -7.682 12.734 -13.467 520 HE ARG 65 HE ARG 65 -7.719 10.675 -15.237 521 HH11 ARG 65 1HH1 ARG 65 -9.096 13.898 -15.270 522 HH12 ARG 65 2HH1 ARG 65 -8.983 14.070 -17.000 523 HH21 ARG 65 1HH2 ARG 65 -7.545 10.901 -17.493 524 HH22 ARG 65 2HH2 ARG 65 -8.090 12.357 -18.270 525 H LYS 66 H LYS 66 -7.858 8.495 -10.567 526 HA LYS 66 HA LYS 66 -5.910 6.963 -12.105 527 HB2 LYS 66 HB2 LYS 66 -5.781 7.935 -9.238 528 HB3 LYS 66 HB3 LYS 66 -4.449 7.286 -10.180 529 HG2 LYS 66 HG2 LYS 66 -5.910 9.823 -10.862 530 HG3 LYS 66 HG3 LYS 66 -4.434 9.756 -9.902 531 HD2 LYS 66 HD2 LYS 66 -3.363 8.563 -11.849 532 HD3 LYS 66 HD3 LYS 66 -4.805 8.969 -12.783 533 HE2 LYS 66 HE2 LYS 66 -3.038 10.604 -13.166 534 HE3 LYS 66 HE3 LYS 66 -4.416 11.348 -12.356 535 HZ1 LYS 66 HZ1 LYS 66 -1.905 10.454 -11.034 536 HZ2 LYS 66 HZ2 LYS 66 -3.231 11.169 -10.251 537 HZ3 LYS 66 HZ3 LYS 66 -2.330 12.060 -11.372 538 H VAL 67 H VAL 67 -6.091 4.798 -12.101 539 HA VAL 67 HA VAL 67 -7.925 3.370 -10.557 540 HB VAL 67 HB VAL 67 -6.975 2.529 -12.675 541 HG11 VAL 67 HG11 VAL 67 -4.787 1.456 -12.713 542 HG12 VAL 67 HG12 VAL 67 -4.500 1.992 -11.057 543 HG13 VAL 67 HG13 VAL 67 -4.661 3.178 -12.352 544 HG21 VAL 67 HG21 VAL 67 -6.571 0.156 -11.921 545 HG22 VAL 67 HG22 VAL 67 -8.080 0.893 -11.396 546 HG23 VAL 67 HG23 VAL 67 -6.733 0.749 -10.267 547 H ALA 68 H ALA 68 -4.489 4.011 -10.019 548 HA ALA 68 HA ALA 68 -4.229 2.310 -7.754 549 HB1 ALA 68 1HB ALA 68 -2.310 3.019 -9.110 550 HB2 ALA 68 HB2 ALA 68 -2.091 3.411 -7.405 551 HB3 ALA 68 HB3 ALA 68 -2.533 4.677 -8.552 552 H ASN 69 H ASN 69 -5.008 5.732 -8.159 553 HA ASN 69 HA ASN 69 -4.843 6.388 -5.396 554 HB2 ASN 69 HB2 ASN 69 -4.837 8.003 -7.394 555 HB3 ASN 69 HB3 ASN 69 -6.582 7.815 -7.405 556 HD21 ASN 69 HD21 ASN 69 -7.807 8.781 -5.812 557 HD22 ASN 69 HD22 ASN 69 -7.136 9.912 -4.679 558 H ALA 70 H ALA 70 -7.488 5.482 -7.549 559 HA ALA 70 HA ALA 70 -9.602 5.680 -5.737 560 HB1 ALA 70 1HB ALA 70 -9.853 5.400 -8.170 561 HB2 ALA 70 HB2 ALA 70 -10.815 4.236 -7.257 562 HB3 ALA 70 HB3 ALA 70 -9.304 3.730 -8.018 563 H LYS 71 H LYS 71 -7.633 2.833 -6.602 564 HA LYS 71 HA LYS 71 -8.769 1.034 -4.781 565 HB2 LYS 71 HB2 LYS 71 -5.915 1.153 -5.759 566 HB3 LYS 71 HB3 LYS 71 -6.655 -0.225 -4.962 567 HG2 LYS 71 HG2 LYS 71 -8.259 -0.351 -6.811 568 HG3 LYS 71 HG3 LYS 71 -7.378 0.951 -7.607 569 HD2 LYS 71 HD2 LYS 71 -6.341 -1.793 -6.915 570 HD3 LYS 71 HD3 LYS 71 -6.647 -1.144 -8.526 571 HE2 LYS 71 HE2 LYS 71 -4.884 0.502 -8.218 572 HE3 LYS 71 HE3 LYS 71 -4.595 -0.091 -6.583 573 HZ1 LYS 71 HZ1 LYS 71 -2.970 -1.089 -7.925 574 HZ2 LYS 71 HZ2 LYS 71 -4.076 -1.478 -9.148 575 HZ3 LYS 71 HZ3 LYS 71 -4.123 -2.310 -7.669 576 H TYR 72 H TYR 72 -6.183 3.370 -4.461 577 HA TYR 72 HA TYR 72 -5.148 2.576 -2.029 578 HB2 TYR 72 HB2 TYR 72 -3.915 4.188 -3.239 579 HB3 TYR 72 HB3 TYR 72 -5.305 5.255 -3.398 580 HD1 TYR 72 HD2 TYR 72 -2.743 4.012 -1.033 581 HD2 TYR 72 HD1 TYR 72 -5.796 6.887 -1.757 582 HE1 TYR 72 HE2 TYR 72 -1.994 5.294 0.926 583 HE2 TYR 72 HE1 TYR 72 -5.047 8.180 0.200 584 HH TYR 72 HH TYR 72 -2.104 7.719 1.693 585 H ILE 73 H ILE 73 -7.712 4.912 -2.714 586 HA ILE 73 HA ILE 73 -8.269 5.719 -0.111 587 HB ILE 73 HB ILE 73 -10.162 5.489 -2.449 588 HG12 ILE 73 HG12 ILE 73 -8.825 7.991 -1.473 589 HG13 ILE 73 HG13 ILE 73 -7.978 6.901 -2.566 590 HG21 ILE 73 HG21 ILE 73 -11.365 5.683 -0.328 591 HG22 ILE 73 HG22 ILE 73 -11.515 7.161 -1.283 592 HG23 ILE 73 HG23 ILE 73 -10.406 7.107 0.088 593 HD11 ILE 73 HD11 ILE 73 -9.823 7.133 -4.170 594 HD12 ILE 73 HD12 ILE 73 -9.015 8.660 -3.817 595 HD13 ILE 73 HD13 ILE 73 -10.584 8.302 -3.089 596 H MET 74 H MET 74 -9.902 3.189 -2.041 597 HA MET 74 HA MET 74 -11.651 2.436 0.036 598 HB2 MET 74 HB2 MET 74 -12.164 0.460 -1.276 599 HB3 MET 74 HB3 MET 74 -12.073 1.865 -2.328 600 HG2 MET 74 HG2 MET 74 -10.071 1.179 -3.267 601 HG3 MET 74 HG3 MET 74 -9.722 0.071 -1.942 602 HE1 MET 74 HE1 MET 74 -9.033 -1.595 -3.990 603 HE2 MET 74 HE2 MET 74 -10.164 -2.949 -3.925 604 HE3 MET 74 HE3 MET 74 -9.595 -2.197 -2.431 605 H LYS 75 H LYS 75 -8.434 1.246 -0.890 606 HA LYS 75 HA LYS 75 -8.371 -0.966 0.823 607 HB2 LYS 75 HB2 LYS 75 -6.188 0.789 -0.285 608 HB3 LYS 75 HB3 LYS 75 -5.841 -0.603 0.735 609 HG2 LYS 75 HG2 LYS 75 -6.751 -2.108 -0.857 610 HG3 LYS 75 HG3 LYS 75 -7.452 -0.792 -1.801 611 HD2 LYS 75 HD2 LYS 75 -5.202 0.021 -2.314 612 HD3 LYS 75 HD3 LYS 75 -4.511 -1.324 -1.403 613 HE2 LYS 75 HE2 LYS 75 -6.351 -1.678 -3.760 614 HE3 LYS 75 HE3 LYS 75 -4.597 -1.632 -3.902 615 HZ1 LYS 75 HZ1 LYS 75 -5.503 -3.897 -3.805 616 HZ2 LYS 75 HZ2 LYS 75 -6.114 -3.596 -2.258 617 HZ3 LYS 75 HZ3 LYS 75 -4.439 -3.586 -2.530 618 H GLN 76 H GLN 76 -7.433 2.413 1.383 619 HA GLN 76 HA GLN 76 -6.489 2.047 4.023 620 HB2 GLN 76 HB2 GLN 76 -7.612 4.498 2.666 621 HB3 GLN 76 HB3 GLN 76 -6.835 4.509 4.242 622 HG2 GLN 76 HG2 GLN 76 -5.545 3.682 1.653 623 HG3 GLN 76 HG3 GLN 76 -5.326 5.228 2.467 624 HE21 GLN 76 HE21 GLN 76 -4.589 1.838 2.510 625 HE22 GLN 76 HE22 GLN 76 -3.330 1.919 3.693 626 H ARG 77 H ARG 77 -9.686 2.214 2.720 627 HA ARG 77 HA ARG 77 -11.060 3.040 5.042 628 HB2 ARG 77 HB2 ARG 77 -11.995 1.273 2.778 629 HB3 ARG 77 HB3 ARG 77 -13.041 1.934 4.025 630 HG2 ARG 77 HG2 ARG 77 -11.451 3.509 2.016 631 HG3 ARG 77 HG3 ARG 77 -13.191 3.228 1.994 632 HD2 ARG 77 HD2 ARG 77 -13.353 4.393 4.180 633 HD3 ARG 77 HD3 ARG 77 -11.633 4.757 4.075 634 HE ARG 77 HE ARG 77 -13.628 5.734 2.130 635 HH11 ARG 77 1HH1 ARG 77 -10.797 6.206 4.135 636 HH12 ARG 77 2HH1 ARG 77 -10.503 7.827 3.580 637 HH21 ARG 77 1HH2 ARG 77 -13.299 7.880 1.429 638 HH22 ARG 77 2HH2 ARG 77 -11.938 8.789 2.035 639 H LEU 78 H LEU 78 -10.839 -0.286 3.703 640 HA LEU 78 HA LEU 78 -11.694 -1.490 6.115 641 HB2 LEU 78 HB2 LEU 78 -9.827 -3.002 4.366 642 HB3 LEU 78 HB3 LEU 78 -11.290 -3.534 5.178 643 HG LEU 78 HG LEU 78 -12.317 -1.808 3.348 644 HD11 LEU 78 HD11 LEU 78 -11.230 -2.264 1.211 645 HD12 LEU 78 HD12 LEU 78 -9.953 -3.147 2.047 646 HD13 LEU 78 HD13 LEU 78 -10.144 -1.414 2.313 647 HD21 LEU 78 HD21 LEU 78 -13.093 -4.059 3.834 648 HD22 LEU 78 HD22 LEU 78 -11.712 -4.733 2.971 649 HD23 LEU 78 HD23 LEU 78 -12.935 -3.810 2.098 650 H LEU 79 H LEU 79 -8.548 -0.572 4.909 651 HA LEU 79 HA LEU 79 -6.833 -1.863 6.630 652 HB2 LEU 79 HB2 LEU 79 -6.175 -0.415 4.734 653 HB3 LEU 79 HB3 LEU 79 -6.645 0.995 5.655 654 HG LEU 79 HG LEU 79 -4.147 0.402 5.464 655 HD11 LEU 79 HD11 LEU 79 -5.008 2.136 6.923 656 HD12 LEU 79 HD12 LEU 79 -3.691 1.253 7.699 657 HD13 LEU 79 HD13 LEU 79 -5.364 0.934 8.164 658 HD21 LEU 79 HD21 LEU 79 -3.309 -1.118 7.180 659 HD22 LEU 79 HD22 LEU 79 -4.338 -1.959 6.021 660 HD23 LEU 79 HD23 LEU 79 -4.964 -1.541 7.617 661 H LYS 80 H LYS 80 -8.407 1.288 7.176 662 HA LYS 80 HA LYS 80 -7.434 1.561 9.823 663 HB2 LYS 80 HB2 LYS 80 -9.296 3.010 8.090 664 HB3 LYS 80 HB3 LYS 80 -9.727 3.075 9.793 665 HG2 LYS 80 HG2 LYS 80 -7.083 3.875 8.601 666 HG3 LYS 80 HG3 LYS 80 -8.348 4.968 9.166 667 HD2 LYS 80 HD2 LYS 80 -6.787 3.010 10.858 668 HD3 LYS 80 HD3 LYS 80 -6.584 4.760 10.836 669 HE2 LYS 80 HE2 LYS 80 -8.890 5.022 11.647 670 HE3 LYS 80 HE3 LYS 80 -9.062 3.268 11.701 671 HZ1 LYS 80 HZ1 LYS 80 -8.547 4.003 13.886 672 HZ2 LYS 80 HZ2 LYS 80 -7.253 4.954 13.343 673 HZ3 LYS 80 HZ3 LYS 80 -7.141 3.265 13.283 674 H LEU 81 H LEU 81 -10.166 -0.105 8.474 675 HA LEU 81 HA LEU 81 -11.650 -0.249 10.907 676 HB2 LEU 81 HB2 LEU 81 -11.828 -1.895 8.387 677 HB3 LEU 81 HB3 LEU 81 -12.967 -1.987 9.720 678 HG LEU 81 HG LEU 81 -12.456 0.444 8.003 679 HD11 LEU 81 HD11 LEU 81 -14.840 -1.392 8.156 680 HD12 LEU 81 HD12 LEU 81 -13.665 -1.336 6.842 681 HD13 LEU 81 HD13 LEU 81 -14.700 0.056 7.159 682 HD21 LEU 81 HD21 LEU 81 -14.346 1.432 9.194 683 HD22 LEU 81 HD22 LEU 81 -13.022 1.050 10.297 684 HD23 LEU 81 HD23 LEU 81 -14.442 0.007 10.229 685 H LEU 82 H LEU 82 -9.375 -2.425 9.271 686 HA LEU 82 HA LEU 82 -9.633 -4.425 11.330 687 HB2 LEU 82 HB2 LEU 82 -7.700 -5.502 10.162 688 HB3 LEU 82 HB3 LEU 82 -9.126 -5.248 9.179 689 HG LEU 82 HG LEU 82 -7.698 -2.999 8.612 690 HD11 LEU 82 HD11 LEU 82 -5.737 -3.638 9.828 691 HD12 LEU 82 HD12 LEU 82 -5.399 -3.781 8.100 692 HD13 LEU 82 HD13 LEU 82 -5.723 -5.226 9.060 693 HD21 LEU 82 HD21 LEU 82 -8.754 -4.307 6.955 694 HD22 LEU 82 HD22 LEU 82 -7.711 -5.692 7.286 695 HD23 LEU 82 HD23 LEU 82 -7.041 -4.240 6.542 696 H GLU 83 H GLU 83 -7.779 -1.588 10.874 697 HA GLU 83 HA GLU 83 -5.749 -2.224 12.813 698 HB2 GLU 83 HB2 GLU 83 -6.623 0.340 11.485 699 HB3 GLU 83 HB3 GLU 83 -5.362 0.295 12.706 700 HG2 GLU 83 HG2 GLU 83 -5.201 -1.414 10.258 701 HG3 GLU 83 HG3 GLU 83 -4.688 0.273 10.238 702 H ASP 84 H ASP 84 -8.678 -0.235 12.756 703 HA ASP 84 HA ASP 84 -8.372 0.505 15.542 704 HB2 ASP 84 HB2 ASP 84 -9.326 1.889 13.477 705 HB3 ASP 84 HB3 ASP 84 -10.836 1.139 13.981 706 H LYS 85 H LYS 85 -9.814 -1.952 13.755 707 HA LYS 85 HA LYS 85 -11.006 -3.781 14.318 708 HB2 LYS 85 HB2 LYS 85 -10.644 -2.760 17.136 709 HB3 LYS 85 HB3 LYS 85 -11.303 -4.338 16.720 710 HG2 LYS 85 HG2 LYS 85 -8.540 -3.354 16.026 711 HG3 LYS 85 HG3 LYS 85 -8.939 -4.470 17.340 712 HD2 LYS 85 HD2 LYS 85 -9.911 -6.007 15.612 713 HD3 LYS 85 HD3 LYS 85 -9.275 -4.921 14.376 714 HE2 LYS 85 HE2 LYS 85 -7.637 -6.362 16.462 715 HE3 LYS 85 HE3 LYS 85 -7.791 -6.836 14.771 716 HZ1 LYS 85 HZ1 LYS 85 -5.757 -5.632 15.083 717 HZ2 LYS 85 HZ2 LYS 85 -6.567 -4.329 15.804 718 HZ3 LYS 85 HZ3 LYS 85 -6.810 -4.673 14.160 719 H SER 86 H SER 86 -12.339 -1.518 13.456 720 HA SER 86 HA SER 86 -14.739 -1.180 15.008 721 HB2 SER 86 HB2 SER 86 -14.188 -0.336 12.151 722 HB3 SER 86 HB3 SER 86 -15.424 0.309 13.232 723 HG SER 86 HG SER 86 -13.622 0.987 14.609 724 H ASN 87 H ASN 87 -16.764 -2.038 14.526 725 HA ASN 87 HA ASN 87 -16.663 -4.710 13.560 726 HB2 ASN 87 HB2 ASN 87 -18.991 -4.856 14.132 727 HB3 ASN 87 HB3 ASN 87 -18.172 -3.935 15.389 728 HD21 ASN 87 HD21 ASN 87 -20.979 -4.062 14.430 729 HD22 ASN 87 HD22 ASN 87 -21.429 -2.420 14.112 730 H LEU 88 H LEU 88 -16.981 -1.850 11.878 731 HA LEU 88 HA LEU 88 -19.046 -2.316 10.080 732 HB2 LEU 88 HB2 LEU 88 -16.488 -0.777 9.716 733 HB3 LEU 88 HB3 LEU 88 -17.768 -0.798 8.520 734 HG LEU 88 HG LEU 88 -18.138 1.176 9.685 735 HD11 LEU 88 HD11 LEU 88 -19.860 -0.869 11.079 736 HD12 LEU 88 HD12 LEU 88 -20.168 -0.175 9.484 737 HD13 LEU 88 HD13 LEU 88 -20.207 0.855 10.916 738 HD21 LEU 88 HD21 LEU 88 -16.550 0.798 11.492 739 HD22 LEU 88 HD22 LEU 88 -17.678 -0.317 12.261 740 HD23 LEU 88 HD23 LEU 88 -18.089 1.393 12.116 741 H LEU 89 H LEU 89 -15.682 -3.392 9.919 742 HA LEU 89 HA LEU 89 -16.441 -4.962 7.544 743 HB2 LEU 89 HB2 LEU 89 -14.581 -3.537 7.051 744 HB3 LEU 89 HB3 LEU 89 -13.727 -4.045 8.492 745 HG LEU 89 HG LEU 89 -13.736 -6.372 7.486 746 HD11 LEU 89 HD11 LEU 89 -15.454 -5.927 5.807 747 HD12 LEU 89 HD12 LEU 89 -13.970 -6.589 5.124 748 HD13 LEU 89 HD13 LEU 89 -14.322 -4.871 4.962 749 HD21 LEU 89 HD21 LEU 89 -12.165 -4.180 6.166 750 HD22 LEU 89 HD22 LEU 89 -11.748 -5.893 6.153 751 HD23 LEU 89 HD23 LEU 89 -11.760 -4.997 7.675 752 H LEU 90 H LEU 90 -15.902 -5.193 10.806 753 HA LEU 90 HA LEU 90 -14.759 -7.893 10.603 754 HB2 LEU 90 HB2 LEU 90 -14.618 -6.002 12.940 755 HB3 LEU 90 HB3 LEU 90 -13.740 -7.510 12.743 756 HG LEU 90 HG LEU 90 -13.381 -5.191 10.858 757 HD11 LEU 90 HD11 LEU 90 -12.857 -4.376 13.050 758 HD12 LEU 90 HD12 LEU 90 -11.356 -4.655 12.163 759 HD13 LEU 90 HD13 LEU 90 -11.881 -5.805 13.395 760 HD21 LEU 90 HD21 LEU 90 -12.627 -7.389 10.079 761 HD22 LEU 90 HD22 LEU 90 -11.631 -7.557 11.526 762 HD23 LEU 90 HD23 LEU 90 -11.275 -6.288 10.353 763 H TYR 91 H TYR 91 -17.728 -6.801 10.873 764 HA TYR 91 HA TYR 91 -18.617 -7.807 13.370 765 HB2 TYR 91 HB2 TYR 91 -20.859 -7.560 12.531 766 HB3 TYR 91 HB3 TYR 91 -19.913 -6.186 11.978 767 HD1 TYR 91 HD2 TYR 91 -21.408 -9.415 10.912 768 HD2 TYR 91 HD1 TYR 91 -19.656 -5.732 9.669 769 HE1 TYR 91 HE2 TYR 91 -22.123 -9.857 8.607 770 HE2 TYR 91 HE1 TYR 91 -20.363 -6.174 7.359 771 HH TYR 91 HH TYR 91 -22.646 -8.494 6.549 772 H SER 92 H SER 92 -19.999 -9.648 13.714 773 HA SER 92 HA SER 92 -19.005 -11.975 12.276 774 HB2 SER 92 HB2 SER 92 -19.077 -11.865 14.809 775 HB3 SER 92 HB3 SER 92 -20.835 -11.927 14.687 776 HG SER 92 HG SER 92 -18.932 -13.893 13.996 777 H CYS 93 H CYS 93 -20.353 -13.458 11.292 778 HA CYS 93 HA CYS 93 -23.138 -12.716 10.758 779 HB2 CYS 93 HB2 CYS 93 -22.829 -12.845 8.383 780 HB3 CYS 93 HB3 CYS 93 -21.591 -11.742 8.994 781 H ASN 94 H ASN 94 -24.042 -14.552 9.203 782 HA ASN 94 HA ASN 94 -23.030 -17.115 10.247 783 HB2 ASN 94 HB2 ASN 94 -25.366 -16.511 10.883 784 HB3 ASN 94 HB3 ASN 94 -25.792 -16.503 9.174 785 HD21 ASN 94 HD21 ASN 94 -24.998 -18.451 11.920 786 HD22 ASN 94 HD22 ASN 94 -25.440 -19.975 11.227 787 H CYS 95 H CYS 95 -21.412 -16.739 8.318 788 HA CYS 95 HA CYS 95 -22.573 -17.790 5.869 789 HB2 CYS 95 HB2 CYS 95 -19.812 -16.908 6.632 790 HB3 CYS 95 HB3 CYS 95 -20.065 -17.884 5.189 791 H LYS 96 H LYS 96 -21.372 -18.945 8.775 792 HA LYS 96 HA LYS 96 -21.537 -21.674 7.836 793 HB2 LYS 96 HB2 LYS 96 -19.395 -22.314 8.985 794 HB3 LYS 96 HB3 LYS 96 -19.181 -21.356 7.531 795 HG2 LYS 96 HG2 LYS 96 -18.832 -19.358 8.919 796 HG3 LYS 96 HG3 LYS 96 -19.000 -20.355 10.365 797 HD2 LYS 96 HD2 LYS 96 -16.914 -20.792 8.227 798 HD3 LYS 96 HD3 LYS 96 -16.637 -19.888 9.715 799 HE2 LYS 96 HE2 LYS 96 -17.284 -21.941 10.988 800 HE3 LYS 96 HE3 LYS 96 -17.334 -22.808 9.453 801 HZ1 LYS 96 HZ1 LYS 96 -14.939 -21.390 10.487 802 HZ2 LYS 96 HZ2 LYS 96 -15.018 -22.402 9.126 803 HZ3 LYS 96 HZ3 LYS 96 -15.215 -23.050 10.677 804 H PHE 97 H PHE 97 -20.865 -19.520 10.561 805 HA PHE 97 HA PHE 97 -23.049 -20.672 12.053 806 HB2 PHE 97 HB2 PHE 97 -21.748 -21.188 14.053 807 HB3 PHE 97 HB3 PHE 97 -21.116 -22.122 12.701 808 HD1 PHE 97 HD1 PHE 97 -20.519 -19.073 14.733 809 HD2 PHE 97 HD2 PHE 97 -18.862 -21.969 12.093 810 HE1 PHE 97 HE1 PHE 97 -18.276 -18.169 15.156 811 HE2 PHE 97 HE2 PHE 97 -16.615 -21.068 12.511 812 HZ PHE 97 HZ PHE 97 -16.316 -19.165 14.044 813 H SER 98 H SER 98 -23.332 -19.359 14.136 814 HA SER 98 HA SER 98 -21.828 -17.051 14.632 815 HB2 SER 98 HB2 SER 98 -23.517 -15.322 13.995 816 HB3 SER 98 HB3 SER 98 -22.774 -16.130 12.611 817 HG SER 98 HG SER 98 -25.072 -17.338 13.566 818 H LYS 99 H LYS 99 -23.212 -15.464 16.036 819 HA LYS 99 HA LYS 99 -24.412 -15.072 17.905 820 HB2 LYS 99 HB2 LYS 99 -26.314 -17.199 16.918 821 HB3 LYS 99 HB3 LYS 99 -26.677 -15.842 17.973 822 HG2 LYS 99 HG2 LYS 99 -26.055 -15.776 15.032 823 HG3 LYS 99 HG3 LYS 99 -27.561 -15.338 15.836 824 HD2 LYS 99 HD2 LYS 99 -24.928 -13.874 15.981 825 HD3 LYS 99 HD3 LYS 99 -26.403 -13.332 15.181 826 HE2 LYS 99 HE2 LYS 99 -26.044 -13.771 18.141 827 HE3 LYS 99 HE3 LYS 99 -26.088 -12.212 17.326 828 HZ1 LYS 99 HZ1 LYS 99 -28.370 -12.717 16.625 829 HZ2 LYS 99 HZ2 LYS 99 -28.210 -12.684 18.311 830 HZ3 LYS 99 HZ3 LYS 99 -28.320 -14.168 17.502 831 H LYS 100 H LYS 100 -22.560 -16.119 18.988 832 HA LYS 100 HA LYS 100 -23.165 -18.759 20.083 833 HB2 LYS 100 HB2 LYS 100 -20.893 -18.178 19.071 834 HB3 LYS 100 HB3 LYS 100 -20.637 -17.155 20.474 835 HG2 LYS 100 HG2 LYS 100 -19.542 -19.096 21.058 836 HG3 LYS 100 HG3 LYS 100 -21.106 -19.295 21.842 837 HD2 LYS 100 HD2 LYS 100 -20.556 -20.423 19.107 838 HD3 LYS 100 HD3 LYS 100 -20.121 -21.303 20.571 839 HE2 LYS 100 HE2 LYS 100 -22.494 -21.173 21.293 840 HE3 LYS 100 HE3 LYS 100 -22.882 -20.401 19.758 841 HZ1 LYS 100 HZ1 LYS 100 -23.346 -22.779 19.731 842 HZ2 LYS 100 HZ2 LYS 100 -21.715 -23.116 20.042 843 HZ3 LYS 100 HZ3 LYS 100 -22.161 -22.366 18.591 844 H LYS 101 H LYS 101 -22.804 -19.065 22.442 845 HA LYS 101 HA LYS 101 -24.278 -16.974 23.808 846 HB2 LYS 101 HB2 LYS 101 -23.366 -19.616 24.947 847 HB3 LYS 101 HB3 LYS 101 -24.676 -18.592 25.519 848 HG2 LYS 101 HG2 LYS 101 -24.626 -20.092 22.907 849 HG3 LYS 101 HG3 LYS 101 -25.515 -20.562 24.355 850 HD2 LYS 101 HD2 LYS 101 -25.979 -17.847 23.232 851 HD3 LYS 101 HD3 LYS 101 -26.666 -19.229 22.381 852 HE2 LYS 101 HE2 LYS 101 -28.282 -18.319 23.930 853 HE3 LYS 101 HE3 LYS 101 -27.788 -19.925 24.454 854 HZ1 LYS 101 HZ1 LYS 101 -26.363 -18.947 26.107 855 HZ2 LYS 101 HZ2 LYS 101 -27.929 -18.319 26.282 856 HZ3 LYS 101 HZ3 LYS 101 -26.721 -17.381 25.557 Start of MODEL 20 1 H MET 1 H MET 1 1.319 0.922 0.486 2 HA MET 1 HA MET 1 2.583 -0.828 -0.465 3 HB2 MET 1 HB2 MET 1 3.744 1.288 0.149 4 HB3 MET 1 HB3 MET 1 4.209 0.556 1.678 5 HG2 MET 1 HG2 MET 1 5.492 -1.138 0.484 6 HG3 MET 1 HG3 MET 1 5.017 -0.416 -1.051 7 HE1 MET 1 HE1 MET 1 8.794 0.509 -0.857 8 HE2 MET 1 HE2 MET 1 7.516 -0.220 -1.831 9 HE3 MET 1 HE3 MET 1 8.028 -0.987 -0.328 10 H LYS 2 H LYS 2 2.336 -1.033 3.035 11 HA LYS 2 HA LYS 2 3.869 -3.433 3.266 12 HB2 LYS 2 HB2 LYS 2 3.525 -1.828 5.133 13 HB3 LYS 2 HB3 LYS 2 1.827 -2.277 5.175 14 HG2 LYS 2 HG2 LYS 2 2.432 -4.561 5.773 15 HG3 LYS 2 HG3 LYS 2 4.141 -4.130 5.709 16 HD2 LYS 2 HD2 LYS 2 3.405 -4.115 8.005 17 HD3 LYS 2 HD3 LYS 2 3.751 -2.461 7.494 18 HE2 LYS 2 HE2 LYS 2 1.332 -2.132 7.077 19 HE3 LYS 2 HE3 LYS 2 1.030 -3.750 7.707 20 HZ1 LYS 2 HZ1 LYS 2 2.070 -3.006 9.814 21 HZ2 LYS 2 HZ2 LYS 2 0.640 -2.181 9.432 22 HZ3 LYS 2 HZ3 LYS 2 2.141 -1.429 9.192 23 H GLY 3 H GLY 3 2.906 -4.682 1.567 24 HA2 GLY 3 HA2 GLY 3 1.651 -6.518 0.950 25 HA3 GLY 3 HA3 GLY 3 0.845 -6.444 2.511 26 H ASP 4 H ASP 4 -0.705 -7.075 0.389 27 HA ASP 4 HA ASP 4 -2.042 -4.578 -0.344 28 HB2 ASP 4 HB2 ASP 4 -1.640 -6.286 -2.137 29 HB3 ASP 4 HB3 ASP 4 -2.768 -7.351 -1.296 30 H ILE 5 H ILE 5 -4.046 -4.068 0.220 31 HA ILE 5 HA ILE 5 -4.836 -4.815 2.794 32 HB ILE 5 HB ILE 5 -5.377 -2.746 1.100 33 HG12 ILE 5 HG12 ILE 5 -5.291 -2.628 3.532 34 HG13 ILE 5 HG13 ILE 5 -6.743 -1.844 2.926 35 HG21 ILE 5 HG21 ILE 5 -7.948 -4.285 1.418 36 HG22 ILE 5 HG22 ILE 5 -7.109 -3.914 -0.092 37 HG23 ILE 5 HG23 ILE 5 -7.820 -2.615 0.865 38 HD11 ILE 5 HD11 ILE 5 -7.187 -3.132 4.928 39 HD12 ILE 5 HD12 ILE 5 -6.598 -4.592 4.132 40 HD13 ILE 5 HD13 ILE 5 -8.056 -3.792 3.542 41 H GLU 6 H GLU 6 -5.784 -6.075 -0.347 42 HA GLU 6 HA GLU 6 -8.273 -7.165 0.471 43 HB2 GLU 6 HB2 GLU 6 -6.440 -7.778 -1.831 44 HB3 GLU 6 HB3 GLU 6 -7.887 -8.733 -1.539 45 HG2 GLU 6 HG2 GLU 6 -9.170 -6.557 -1.600 46 HG3 GLU 6 HG3 GLU 6 -7.694 -5.817 -2.218 47 H HIS 7 H HIS 7 -4.998 -8.451 0.363 48 HA HIS 7 HA HIS 7 -5.678 -11.081 1.101 49 HB2 HIS 7 HB2 HIS 7 -3.443 -10.192 0.158 50 HB3 HIS 7 HB3 HIS 7 -3.057 -9.793 1.829 51 HD1 HIS 7 HD1 HIS 7 -1.166 -11.759 0.747 52 HD2 HIS 7 HD2 HIS 7 -4.873 -12.941 2.219 53 HE1 HIS 7 HE1 HIS 7 -0.960 -14.213 1.309 54 H LYS 8 H LYS 8 -5.026 -8.161 2.951 55 HA LYS 8 HA LYS 8 -4.928 -9.365 5.510 56 HB2 LYS 8 HB2 LYS 8 -6.152 -6.654 5.053 57 HB3 LYS 8 HB3 LYS 8 -5.205 -7.211 6.421 58 HG2 LYS 8 HG2 LYS 8 -4.201 -6.537 3.673 59 HG3 LYS 8 HG3 LYS 8 -3.937 -5.632 5.160 60 HD2 LYS 8 HD2 LYS 8 -2.745 -7.645 6.064 61 HD3 LYS 8 HD3 LYS 8 -2.853 -8.349 4.445 62 HE2 LYS 8 HE2 LYS 8 -1.650 -6.415 3.534 63 HE3 LYS 8 HE3 LYS 8 -1.530 -5.733 5.158 64 HZ1 LYS 8 HZ1 LYS 8 -0.305 -7.809 5.789 65 HZ2 LYS 8 HZ2 LYS 8 0.516 -6.807 4.696 66 HZ3 LYS 8 HZ3 LYS 8 -0.247 -8.214 4.141 67 H VAL 9 H VAL 9 -7.611 -7.870 3.710 68 HA VAL 9 HA VAL 9 -9.655 -8.321 5.533 69 HB VAL 9 HB VAL 9 -9.907 -8.459 2.522 70 HG11 VAL 9 HG11 VAL 9 -11.884 -9.282 3.649 71 HG12 VAL 9 HG12 VAL 9 -12.221 -7.700 2.946 72 HG13 VAL 9 HG13 VAL 9 -11.927 -7.851 4.678 73 HG21 VAL 9 HG21 VAL 9 -8.799 -6.405 3.171 74 HG22 VAL 9 HG22 VAL 9 -10.048 -6.082 4.373 75 HG23 VAL 9 HG23 VAL 9 -10.451 -6.061 2.656 76 H TYR 10 H TYR 10 -8.369 -10.448 3.017 77 HA TYR 10 HA TYR 10 -10.208 -12.548 3.384 78 HB2 TYR 10 HB2 TYR 10 -7.316 -12.754 2.519 79 HB3 TYR 10 HB3 TYR 10 -8.540 -13.994 2.311 80 HD1 TYR 10 HD2 TYR 10 -10.439 -11.289 1.622 81 HD2 TYR 10 HD1 TYR 10 -7.041 -13.296 0.038 82 HE1 TYR 10 HE2 TYR 10 -10.954 -10.387 -0.609 83 HE2 TYR 10 HE1 TYR 10 -7.540 -12.403 -2.192 84 HH TYR 10 HH TYR 10 -9.473 -9.870 -2.778 85 H GLN 11 H GLN 11 -6.992 -11.959 4.750 86 HA GLN 11 HA GLN 11 -6.561 -14.339 6.014 87 HB2 GLN 11 HB2 GLN 11 -5.631 -11.569 6.580 88 HB3 GLN 11 HB3 GLN 11 -5.202 -12.873 7.683 89 HG2 GLN 11 HG2 GLN 11 -4.624 -12.792 4.732 90 HG3 GLN 11 HG3 GLN 11 -3.462 -12.491 6.024 91 HE21 GLN 11 HE21 GLN 11 -4.530 -14.557 7.752 92 HE22 GLN 11 HE22 GLN 11 -4.033 -16.070 7.076 93 H LEU 12 H LEU 12 -8.293 -11.575 7.356 94 HA LEU 12 HA LEU 12 -8.608 -13.016 9.855 95 HB2 LEU 12 HB2 LEU 12 -9.946 -10.739 10.312 96 HB3 LEU 12 HB3 LEU 12 -8.226 -10.933 10.547 97 HG LEU 12 HG LEU 12 -8.008 -10.054 8.125 98 HD11 LEU 12 HD11 LEU 12 -9.784 -8.545 7.438 99 HD12 LEU 12 HD12 LEU 12 -10.758 -9.046 8.821 100 HD13 LEU 12 HD13 LEU 12 -10.368 -10.205 7.549 101 HD21 LEU 12 HD21 LEU 12 -8.033 -7.738 8.946 102 HD22 LEU 12 HD22 LEU 12 -7.238 -8.840 10.070 103 HD23 LEU 12 HD23 LEU 12 -8.876 -8.275 10.400 104 H LEU 13 H LEU 13 -10.667 -11.746 7.262 105 HA LEU 13 HA LEU 13 -13.096 -12.322 8.588 106 HB2 LEU 13 HB2 LEU 13 -12.447 -11.898 5.692 107 HB3 LEU 13 HB3 LEU 13 -14.076 -12.237 6.243 108 HG LEU 13 HG LEU 13 -12.386 -9.841 6.940 109 HD11 LEU 13 HD11 LEU 13 -14.144 -8.614 5.813 110 HD12 LEU 13 HD12 LEU 13 -15.026 -10.112 5.518 111 HD13 LEU 13 HD13 LEU 13 -13.468 -9.839 4.738 112 HD21 LEU 13 HD21 LEU 13 -13.613 -10.591 8.913 113 HD22 LEU 13 HD22 LEU 13 -15.107 -10.630 7.975 114 HD23 LEU 13 HD23 LEU 13 -14.296 -9.094 8.276 115 H LYS 14 H LYS 14 -11.237 -14.182 6.217 116 HA LYS 14 HA LYS 14 -13.062 -16.334 6.037 117 HB2 LYS 14 HB2 LYS 14 -11.332 -17.561 4.959 118 HB3 LYS 14 HB3 LYS 14 -11.122 -15.882 4.478 119 HG2 LYS 14 HG2 LYS 14 -9.334 -15.632 6.125 120 HG3 LYS 14 HG3 LYS 14 -9.552 -17.310 6.609 121 HD2 LYS 14 HD2 LYS 14 -8.955 -18.031 4.338 122 HD3 LYS 14 HD3 LYS 14 -8.712 -16.343 3.880 123 HE2 LYS 14 HE2 LYS 14 -6.946 -16.146 5.572 124 HE3 LYS 14 HE3 LYS 14 -7.187 -17.834 6.017 125 HZ1 LYS 14 HZ1 LYS 14 -5.335 -17.719 4.564 126 HZ2 LYS 14 HZ2 LYS 14 -6.182 -16.787 3.429 127 HZ3 LYS 14 HZ3 LYS 14 -6.610 -18.409 3.681 128 H ASP 15 H ASP 15 -10.796 -15.399 8.428 129 HA ASP 15 HA ASP 15 -10.565 -17.969 9.706 130 HB2 ASP 15 HB2 ASP 15 -8.776 -16.258 9.815 131 HB3 ASP 15 HB3 ASP 15 -9.847 -15.220 10.743 132 H GLN 16 H GLN 16 -12.323 -14.959 10.269 133 HA GLN 16 HA GLN 16 -13.543 -15.721 12.709 134 HB2 GLN 16 HB2 GLN 16 -14.874 -13.891 10.723 135 HB3 GLN 16 HB3 GLN 16 -14.933 -13.833 12.479 136 HG2 GLN 16 HG2 GLN 16 -12.330 -13.449 12.088 137 HG3 GLN 16 HG3 GLN 16 -12.954 -12.784 10.588 138 HE21 GLN 16 HE21 GLN 16 -12.528 -10.708 11.006 139 HE22 GLN 16 HE22 GLN 16 -13.301 -9.779 12.240 140 H GLY 17 H GLY 17 -14.330 -16.211 9.367 141 HA2 GLY 17 HA2 GLY 17 -15.599 -18.328 8.998 142 HA3 GLY 17 HA3 GLY 17 -16.735 -17.701 10.183 143 H CYS 18 H CYS 18 -15.115 -15.820 7.668 144 HA CYS 18 HA CYS 18 -17.695 -15.790 6.222 145 HB2 CYS 18 HB2 CYS 18 -16.907 -13.609 7.435 146 HB3 CYS 18 HB3 CYS 18 -15.804 -13.470 6.067 147 H GLU 19 H GLU 19 -17.630 -16.262 4.091 148 HA GLU 19 HA GLU 19 -15.024 -15.966 2.716 149 HB2 GLU 19 HB2 GLU 19 -15.566 -17.807 1.279 150 HB3 GLU 19 HB3 GLU 19 -15.823 -18.343 2.933 151 HG2 GLU 19 HG2 GLU 19 -18.020 -17.392 1.113 152 HG3 GLU 19 HG3 GLU 19 -17.564 -19.081 1.315 153 H ASP 20 H ASP 20 -18.032 -14.738 3.093 154 HA ASP 20 HA ASP 20 -18.599 -14.181 0.308 155 HB2 ASP 20 HB2 ASP 20 -20.416 -14.946 1.814 156 HB3 ASP 20 HB3 ASP 20 -20.196 -13.492 2.781 157 H PHE 21 H PHE 21 -16.768 -12.807 0.040 158 HA PHE 21 HA PHE 21 -17.470 -10.046 0.239 159 HB2 PHE 21 HB2 PHE 21 -15.299 -9.411 1.443 160 HB3 PHE 21 HB3 PHE 21 -16.601 -10.050 2.436 161 HD1 PHE 21 HD1 PHE 21 -13.272 -10.746 1.028 162 HD2 PHE 21 HD2 PHE 21 -16.401 -12.141 3.542 163 HE1 PHE 21 HE1 PHE 21 -11.757 -12.451 1.967 164 HE2 PHE 21 HE2 PHE 21 -14.911 -13.839 4.475 165 HZ PHE 21 HZ PHE 21 -12.575 -14.007 3.707 166 H GLY 22 H GLY 22 -15.923 -8.656 -0.882 167 HA2 GLY 22 HA2 GLY 22 -13.589 -9.479 -2.145 168 HA3 GLY 22 HA3 GLY 22 -14.907 -9.882 -3.237 169 H THR 23 H THR 23 -13.031 -8.081 -4.079 170 HA THR 23 HA THR 23 -14.114 -5.417 -3.592 171 HB THR 23 HB THR 23 -12.181 -4.749 -5.175 172 HG1 THR 23 HG1 THR 23 -10.448 -6.447 -4.932 173 HG21 THR 23 HG21 THR 23 -10.562 -4.821 -3.342 174 HG22 THR 23 HG22 THR 23 -11.576 -5.987 -2.490 175 HG23 THR 23 HG23 THR 23 -12.160 -4.345 -2.767 176 H LYS 24 H LYS 24 -14.873 -4.067 -5.224 177 HA LYS 24 HA LYS 24 -15.191 -5.267 -7.880 178 HB2 LYS 24 HB2 LYS 24 -17.432 -4.425 -8.111 179 HB3 LYS 24 HB3 LYS 24 -17.355 -5.402 -6.657 180 HG2 LYS 24 HG2 LYS 24 -18.553 -3.653 -5.853 181 HG3 LYS 24 HG3 LYS 24 -16.935 -3.029 -5.537 182 HD2 LYS 24 HD2 LYS 24 -16.997 -1.659 -7.483 183 HD3 LYS 24 HD3 LYS 24 -18.474 -2.436 -8.058 184 HE2 LYS 24 HE2 LYS 24 -19.763 -1.467 -6.313 185 HE3 LYS 24 HE3 LYS 24 -18.321 -0.915 -5.467 186 HZ1 LYS 24 HZ1 LYS 24 -19.383 0.101 -8.036 187 HZ2 LYS 24 HZ2 LYS 24 -17.875 0.542 -7.400 188 HZ3 LYS 24 HZ3 LYS 24 -19.295 0.937 -6.567 189 H CYS 25 H CYS 25 -14.924 -3.888 -9.582 190 HA CYS 25 HA CYS 25 -14.444 -1.061 -8.949 191 HB2 CYS 25 HB2 CYS 25 -12.587 -1.158 -10.704 192 HB3 CYS 25 HB3 CYS 25 -12.238 -1.880 -9.138 193 HG CYS 25 HG CYS 25 -13.432 -4.322 -10.830 194 H VAL 26 H VAL 26 -16.515 -0.631 -9.747 195 HA VAL 26 HA VAL 26 -16.927 -1.159 -12.607 196 HB VAL 26 HB VAL 26 -18.761 -1.814 -11.019 197 HG11 VAL 26 HG11 VAL 26 -20.198 -0.068 -10.087 198 HG12 VAL 26 HG12 VAL 26 -19.072 1.164 -10.659 199 HG13 VAL 26 HG13 VAL 26 -18.565 0.009 -9.424 200 HG21 VAL 26 HG21 VAL 26 -20.584 -0.885 -12.372 201 HG22 VAL 26 HG22 VAL 26 -19.237 -1.431 -13.371 202 HG23 VAL 26 HG23 VAL 26 -19.465 0.291 -13.062 203 H ILE 27 H ILE 27 -17.363 0.567 -14.025 204 HA ILE 27 HA ILE 27 -16.050 2.994 -13.193 205 HB ILE 27 HB ILE 27 -17.112 2.094 -15.862 206 HG12 ILE 27 HG12 ILE 27 -14.313 2.609 -14.828 207 HG13 ILE 27 HG13 ILE 27 -15.041 1.022 -15.060 208 HG21 ILE 27 HG21 ILE 27 -15.743 4.684 -15.153 209 HG22 ILE 27 HG22 ILE 27 -17.418 4.498 -15.670 210 HG23 ILE 27 HG23 ILE 27 -16.103 4.133 -16.791 211 HD11 ILE 27 HD11 ILE 27 -14.455 3.031 -17.219 212 HD12 ILE 27 HD12 ILE 27 -15.187 1.444 -17.456 213 HD13 ILE 27 HD13 ILE 27 -13.528 1.572 -16.870 214 H GLU 28 H GLU 28 -16.979 4.749 -12.544 215 HA GLU 28 HA GLU 28 -19.786 5.246 -13.254 216 HB2 GLU 28 HB2 GLU 28 -18.298 6.005 -10.736 217 HB3 GLU 28 HB3 GLU 28 -19.888 6.626 -11.160 218 HG2 GLU 28 HG2 GLU 28 -20.614 4.180 -11.271 219 HG3 GLU 28 HG3 GLU 28 -19.104 3.829 -10.432 220 H GLU 29 H GLU 29 -19.648 6.607 -14.920 221 HA GLU 29 HA GLU 29 -17.466 8.525 -15.015 222 HB2 GLU 29 HB2 GLU 29 -19.077 8.845 -17.305 223 HB3 GLU 29 HB3 GLU 29 -17.512 8.085 -17.187 224 HG2 GLU 29 HG2 GLU 29 -18.948 6.563 -18.274 225 HG3 GLU 29 HG3 GLU 29 -18.665 5.940 -16.652 226 H VAL 30 H VAL 30 -17.659 10.701 -15.054 227 HA VAL 30 HA VAL 30 -20.139 11.726 -13.874 228 HB VAL 30 HB VAL 30 -17.356 12.919 -13.966 229 HG11 VAL 30 HG11 VAL 30 -18.199 14.557 -12.351 230 HG12 VAL 30 HG12 VAL 30 -19.820 13.884 -12.516 231 HG13 VAL 30 HG13 VAL 30 -19.047 14.670 -13.893 232 HG21 VAL 30 HG21 VAL 30 -17.495 10.958 -12.537 233 HG22 VAL 30 HG22 VAL 30 -18.884 11.650 -11.699 234 HG23 VAL 30 HG23 VAL 30 -17.303 12.422 -11.573 235 H LYS 31 H LYS 31 -21.291 13.377 -14.792 236 HA LYS 31 HA LYS 31 -20.976 13.682 -17.634 237 HB2 LYS 31 HB2 LYS 31 -22.924 15.149 -15.857 238 HB3 LYS 31 HB3 LYS 31 -23.078 14.816 -17.577 239 HG2 LYS 31 HG2 LYS 31 -23.017 12.671 -15.472 240 HG3 LYS 31 HG3 LYS 31 -24.500 13.413 -16.067 241 HD2 LYS 31 HD2 LYS 31 -24.098 12.597 -18.282 242 HD3 LYS 31 HD3 LYS 31 -22.484 12.033 -17.836 243 HE2 LYS 31 HE2 LYS 31 -23.364 10.318 -16.464 244 HE3 LYS 31 HE3 LYS 31 -24.981 11.019 -16.504 245 HZ1 LYS 31 HZ1 LYS 31 -24.621 9.021 -17.944 246 HZ2 LYS 31 HZ2 LYS 31 -23.629 9.978 -18.934 247 HZ3 LYS 31 HZ3 LYS 31 -25.267 10.374 -18.730 248 H SER 32 H SER 32 -18.890 14.754 -17.622 249 HA SER 32 HA SER 32 -18.683 17.426 -16.591 250 HB2 SER 32 HB2 SER 32 -16.850 16.048 -18.560 251 HB3 SER 32 HB3 SER 32 -16.464 17.421 -17.524 252 HG SER 32 HG SER 32 -16.844 15.984 -15.715 253 H SER 33 H SER 33 -19.648 15.971 -19.583 254 HA SER 33 HA SER 33 -19.108 18.131 -21.316 255 HB2 SER 33 HB2 SER 33 -21.234 15.997 -21.614 256 HB3 SER 33 HB3 SER 33 -20.515 16.965 -22.904 257 HG SER 33 HG SER 33 -18.493 15.986 -22.389 258 H HIS 34 H HIS 34 -20.354 19.801 -22.035 259 HA HIS 34 HA HIS 34 -22.403 20.708 -20.208 260 HB2 HIS 34 HB2 HIS 34 -21.239 21.988 -22.696 261 HB3 HIS 34 HB3 HIS 34 -22.404 22.761 -21.627 262 HD1 HIS 34 HD1 HIS 34 -21.476 23.972 -19.616 263 HD2 HIS 34 HD2 HIS 34 -18.675 21.508 -21.453 264 HE1 HIS 34 HE1 HIS 34 -19.251 24.486 -18.528 265 H LYS 35 H LYS 35 -22.295 20.568 -23.767 266 HA LYS 35 HA LYS 35 -24.892 19.274 -23.783 267 HB2 LYS 35 HB2 LYS 35 -25.776 20.913 -25.449 268 HB3 LYS 35 HB3 LYS 35 -25.582 21.559 -23.830 269 HG2 LYS 35 HG2 LYS 35 -24.761 23.288 -25.078 270 HG3 LYS 35 HG3 LYS 35 -23.276 22.389 -24.769 271 HD2 LYS 35 HD2 LYS 35 -23.379 23.047 -27.098 272 HD3 LYS 35 HD3 LYS 35 -23.507 21.294 -26.963 273 HE2 LYS 35 HE2 LYS 35 -25.095 22.049 -28.590 274 HE3 LYS 35 HE3 LYS 35 -25.974 21.516 -27.159 275 HZ1 LYS 35 HZ1 LYS 35 -26.887 23.576 -27.986 276 HZ2 LYS 35 HZ2 LYS 35 -25.369 24.330 -27.901 277 HZ3 LYS 35 HZ3 LYS 35 -26.157 23.853 -26.477 278 H THR 36 H THR 36 -25.225 17.965 -25.478 279 HA THR 36 HA THR 36 -24.064 18.219 -28.012 280 HB THR 36 HB THR 36 -21.970 17.603 -26.842 281 HG1 THR 36 HG1 THR 36 -21.418 16.484 -28.555 282 HG21 THR 36 HG21 THR 36 -21.697 15.347 -25.918 283 HG22 THR 36 HG22 THR 36 -23.408 15.024 -26.201 284 HG23 THR 36 HG23 THR 36 -22.926 16.262 -25.039 285 H LEU 37 H LEU 37 -24.938 16.703 -29.440 286 HA LEU 37 HA LEU 37 -26.768 14.738 -28.239 287 HB2 LEU 37 HB2 LEU 37 -27.286 16.530 -30.613 288 HB3 LEU 37 HB3 LEU 37 -28.278 15.145 -30.218 289 HG LEU 37 HG LEU 37 -29.476 16.979 -29.409 290 HD11 LEU 37 HD11 LEU 37 -29.475 16.753 -26.986 291 HD12 LEU 37 HD12 LEU 37 -27.924 15.917 -27.059 292 HD13 LEU 37 HD13 LEU 37 -29.356 15.184 -27.784 293 HD21 LEU 37 HD21 LEU 37 -26.947 18.035 -28.153 294 HD22 LEU 37 HD22 LEU 37 -28.545 18.777 -28.057 295 HD23 LEU 37 HD23 LEU 37 -27.719 18.659 -29.610 296 H LEU 38 H LEU 38 -25.819 12.836 -28.644 297 HA LEU 38 HA LEU 38 -25.564 11.977 -31.362 298 HB2 LEU 38 HB2 LEU 38 -23.243 11.530 -31.482 299 HB3 LEU 38 HB3 LEU 38 -23.392 13.193 -30.958 300 HG LEU 38 HG LEU 38 -22.892 10.944 -29.024 301 HD11 LEU 38 HD11 LEU 38 -20.861 12.677 -30.428 302 HD12 LEU 38 HD12 LEU 38 -21.110 10.952 -30.698 303 HD13 LEU 38 HD13 LEU 38 -20.525 11.524 -29.135 304 HD21 LEU 38 HD21 LEU 38 -23.721 13.064 -28.107 305 HD22 LEU 38 HD22 LEU 38 -22.368 13.908 -28.862 306 HD23 LEU 38 HD23 LEU 38 -22.071 12.715 -27.595 307 H ASN 39 H ASN 39 -23.998 9.773 -31.039 308 HA ASN 39 HA ASN 39 -25.640 7.805 -30.090 309 HB2 ASN 39 HB2 ASN 39 -23.685 7.425 -31.512 310 HB3 ASN 39 HB3 ASN 39 -22.620 7.829 -30.166 311 HD21 ASN 39 HD21 ASN 39 -22.195 6.300 -28.626 312 HD22 ASN 39 HD22 ASN 39 -22.750 4.659 -28.717 313 H THR 40 H THR 40 -22.663 8.726 -28.374 314 HA THR 40 HA THR 40 -24.005 8.116 -25.821 315 HB THR 40 HB THR 40 -21.500 7.953 -25.048 316 HG1 THR 40 HG1 THR 40 -20.263 7.046 -26.905 317 HG21 THR 40 HG21 THR 40 -21.463 5.573 -25.585 318 HG22 THR 40 HG22 THR 40 -22.734 5.815 -26.784 319 HG23 THR 40 HG23 THR 40 -23.076 6.073 -25.073 320 H GLU 41 H GLU 41 -21.939 9.384 -24.219 321 HA GLU 41 HA GLU 41 -22.497 12.181 -24.753 322 HB2 GLU 41 HB2 GLU 41 -20.958 10.878 -22.492 323 HB3 GLU 41 HB3 GLU 41 -21.338 12.590 -22.600 324 HG2 GLU 41 HG2 GLU 41 -23.032 11.962 -21.249 325 HG3 GLU 41 HG3 GLU 41 -23.807 11.634 -22.797 326 H LEU 42 H LEU 42 -20.849 10.733 -26.618 327 HA LEU 42 HA LEU 42 -18.928 10.844 -27.807 328 HB2 LEU 42 HB2 LEU 42 -19.435 13.244 -27.848 329 HB3 LEU 42 HB3 LEU 42 -18.563 13.460 -26.343 330 HG LEU 42 HG LEU 42 -16.479 12.739 -27.490 331 HD11 LEU 42 HD11 LEU 42 -18.182 12.869 -29.974 332 HD12 LEU 42 HD12 LEU 42 -17.500 11.405 -29.265 333 HD13 LEU 42 HD13 LEU 42 -16.434 12.646 -29.922 334 HD21 LEU 42 HD21 LEU 42 -16.161 14.810 -28.736 335 HD22 LEU 42 HD22 LEU 42 -17.021 15.104 -27.224 336 HD23 LEU 42 HD23 LEU 42 -17.904 15.077 -28.751 337 H HIS 43 H HIS 43 -17.492 12.610 -25.131 338 HA HIS 43 HA HIS 43 -16.093 10.195 -24.247 339 HB2 HIS 43 HB2 HIS 43 -14.562 11.418 -25.777 340 HB3 HIS 43 HB3 HIS 43 -14.728 12.854 -24.772 341 HD1 HIS 43 HD1 HIS 43 -12.633 9.928 -25.209 342 HD2 HIS 43 HD2 HIS 43 -13.710 12.394 -22.039 343 HE1 HIS 43 HE1 HIS 43 -10.943 9.511 -23.373 344 H LEU 44 H LEU 44 -16.896 10.001 -22.254 345 HA LEU 44 HA LEU 44 -17.396 12.434 -20.706 346 HB2 LEU 44 HB2 LEU 44 -19.141 10.574 -21.107 347 HB3 LEU 44 HB3 LEU 44 -18.229 9.656 -19.923 348 HG LEU 44 HG LEU 44 -18.640 11.400 -18.245 349 HD11 LEU 44 HD11 LEU 44 -18.767 13.312 -19.742 350 HD12 LEU 44 HD12 LEU 44 -20.218 13.206 -18.744 351 HD13 LEU 44 HD13 LEU 44 -20.266 12.691 -20.432 352 HD21 LEU 44 HD21 LEU 44 -20.210 9.507 -18.523 353 HD22 LEU 44 HD22 LEU 44 -21.180 10.504 -19.606 354 HD23 LEU 44 HD23 LEU 44 -20.994 10.964 -17.913 355 H THR 45 H THR 45 -16.322 12.895 -18.861 356 HA THR 45 HA THR 45 -13.901 11.561 -18.246 357 HB THR 45 HB THR 45 -15.387 13.392 -16.374 358 HG1 THR 45 HG1 THR 45 -14.954 15.043 -17.638 359 HG21 THR 45 HG21 THR 45 -12.450 12.866 -16.844 360 HG22 THR 45 HG22 THR 45 -13.397 12.375 -15.438 361 HG23 THR 45 HG23 THR 45 -13.094 14.085 -15.745 362 H LYS 46 H LYS 46 -13.918 9.550 -17.427 363 HA LYS 46 HA LYS 46 -16.130 8.841 -15.657 364 HB2 LYS 46 HB2 LYS 46 -16.252 6.815 -16.622 365 HB3 LYS 46 HB3 LYS 46 -15.461 7.641 -17.951 366 HG2 LYS 46 HG2 LYS 46 -14.067 6.015 -15.846 367 HG3 LYS 46 HG3 LYS 46 -14.510 5.465 -17.460 368 HD2 LYS 46 HD2 LYS 46 -12.964 6.889 -18.492 369 HD3 LYS 46 HD3 LYS 46 -12.780 7.875 -17.038 370 HE2 LYS 46 HE2 LYS 46 -11.720 6.028 -15.892 371 HE3 LYS 46 HE3 LYS 46 -11.926 5.006 -17.314 372 HZ1 LYS 46 HZ1 LYS 46 -9.737 5.770 -17.442 373 HZ2 LYS 46 HZ2 LYS 46 -10.146 7.345 -16.984 374 HZ3 LYS 46 HZ3 LYS 46 -10.576 6.770 -18.522 375 H TYR 47 H TYR 47 -15.724 7.407 -13.881 376 HA TYR 47 HA TYR 47 -12.996 7.619 -12.832 377 HB2 TYR 47 HB2 TYR 47 -15.586 8.271 -11.418 378 HB3 TYR 47 HB3 TYR 47 -14.083 7.970 -10.554 379 HD1 TYR 47 HD2 TYR 47 -15.607 10.204 -13.128 380 HD2 TYR 47 HD1 TYR 47 -12.562 9.698 -10.201 381 HE1 TYR 47 HE2 TYR 47 -14.961 12.559 -13.399 382 HE2 TYR 47 HE1 TYR 47 -11.911 12.052 -10.463 383 HH TYR 47 HH TYR 47 -13.830 14.315 -12.149 384 H TYR 48 H TYR 48 -12.293 5.940 -11.594 385 HA TYR 48 HA TYR 48 -13.686 3.451 -11.970 386 HB2 TYR 48 HB2 TYR 48 -11.089 4.119 -10.578 387 HB3 TYR 48 HB3 TYR 48 -11.723 2.486 -10.742 388 HD1 TYR 48 HD2 TYR 48 -12.817 3.547 -13.668 389 HD2 TYR 48 HD1 TYR 48 -9.064 3.119 -11.714 390 HE1 TYR 48 HE2 TYR 48 -11.711 3.329 -15.852 391 HE2 TYR 48 HE1 TYR 48 -7.946 2.907 -13.889 392 HH TYR 48 HH TYR 48 -8.472 2.290 -16.181 393 H GLY 49 H GLY 49 -15.358 3.007 -10.687 394 HA2 GLY 49 HA2 GLY 49 -15.485 4.006 -7.975 395 HA3 GLY 49 HA3 GLY 49 -16.704 3.043 -8.800 396 H PHE 50 H PHE 50 -13.429 2.795 -7.466 397 HA PHE 50 HA PHE 50 -13.534 -0.019 -7.075 398 HB2 PHE 50 HB2 PHE 50 -11.737 2.197 -6.204 399 HB3 PHE 50 HB3 PHE 50 -11.668 0.691 -5.299 400 HD1 PHE 50 HD2 PHE 50 -11.077 -1.416 -6.486 401 HD2 PHE 50 HD1 PHE 50 -10.698 2.403 -8.329 402 HE1 PHE 50 HE2 PHE 50 -9.561 -2.374 -8.164 403 HE2 PHE 50 HE1 PHE 50 -9.195 1.456 -9.998 404 HZ PHE 50 HZ PHE 50 -8.604 -0.929 -9.914 405 H SER 51 H SER 51 -14.284 -1.190 -5.391 406 HA SER 51 HA SER 51 -14.893 0.076 -2.856 407 HB2 SER 51 HB2 SER 51 -17.130 -1.387 -4.232 408 HB3 SER 51 HB3 SER 51 -17.211 -0.305 -2.844 409 HG SER 51 HG SER 51 -16.258 1.202 -4.671 410 H PHE 52 H PHE 52 -15.493 -1.486 -1.213 411 HA PHE 52 HA PHE 52 -14.844 -4.251 -1.982 412 HB2 PHE 52 HB2 PHE 52 -13.229 -3.166 -0.350 413 HB3 PHE 52 HB3 PHE 52 -14.556 -3.124 0.809 414 HD1 PHE 52 HD2 PHE 52 -15.561 -5.240 1.617 415 HD2 PHE 52 HD1 PHE 52 -12.080 -5.190 -0.826 416 HE1 PHE 52 HE2 PHE 52 -15.100 -7.575 2.227 417 HE2 PHE 52 HE1 PHE 52 -11.620 -7.528 -0.228 418 HZ PHE 52 HZ PHE 52 -13.133 -8.725 1.301 419 H PHE 53 H PHE 53 -16.421 -5.640 -1.854 420 HA PHE 53 HA PHE 53 -18.903 -4.904 -0.494 421 HB2 PHE 53 HB2 PHE 53 -18.172 -6.664 -2.749 422 HB3 PHE 53 HB3 PHE 53 -19.465 -7.254 -1.718 423 HD1 PHE 53 HD2 PHE 53 -18.428 -4.479 -3.918 424 HD2 PHE 53 HD1 PHE 53 -21.605 -6.330 -1.786 425 HE1 PHE 53 HE2 PHE 53 -20.052 -3.046 -5.098 426 HE2 PHE 53 HE1 PHE 53 -23.234 -4.904 -2.962 427 HZ PHE 53 HZ PHE 53 -22.456 -3.258 -4.617 428 H ARG 54 H ARG 54 -19.619 -5.852 1.264 429 HA ARG 54 HA ARG 54 -18.658 -8.546 1.954 430 HB2 ARG 54 HB2 ARG 54 -18.217 -6.169 3.506 431 HB3 ARG 54 HB3 ARG 54 -19.305 -7.237 4.380 432 HG2 ARG 54 HG2 ARG 54 -17.436 -9.010 3.612 433 HG3 ARG 54 HG3 ARG 54 -16.453 -7.549 3.729 434 HD2 ARG 54 HD2 ARG 54 -16.340 -8.504 5.867 435 HD3 ARG 54 HD3 ARG 54 -17.526 -7.212 6.017 436 HE ARG 54 HE ARG 54 -18.992 -9.441 5.423 437 HH11 ARG 54 1HH1 ARG 54 -16.751 -8.542 7.967 438 HH12 ARG 54 2HH1 ARG 54 -17.493 -9.578 9.154 439 HH21 ARG 54 1HH2 ARG 54 -19.964 -10.790 6.996 440 HH22 ARG 54 2HH2 ARG 54 -19.308 -10.843 8.602 441 H HIS 55 H HIS 55 -20.456 -9.753 1.671 442 HA HIS 55 HA HIS 55 -22.597 -10.498 1.799 443 HB2 HIS 55 HB2 HIS 55 -22.464 -8.694 4.176 444 HB3 HIS 55 HB3 HIS 55 -24.016 -9.373 3.699 445 HD1 HIS 55 HD1 HIS 55 -24.525 -11.627 4.628 446 HD2 HIS 55 HD2 HIS 55 -20.445 -10.800 4.614 447 HE1 HIS 55 HE1 HIS 55 -23.401 -13.563 5.821 448 H GLY 56 H GLY 56 -21.954 -8.255 0.058 449 HA2 GLY 56 HA2 GLY 56 -23.270 -7.206 -1.552 450 HA3 GLY 56 HA3 GLY 56 -24.688 -7.526 -0.564 451 H ASN 57 H ASN 57 -22.643 -6.243 1.574 452 HA ASN 57 HA ASN 57 -23.676 -3.536 1.141 453 HB2 ASN 57 HB2 ASN 57 -22.153 -4.413 3.589 454 HB3 ASN 57 HB3 ASN 57 -23.292 -3.084 3.424 455 HD21 ASN 57 HD21 ASN 57 -22.857 -6.405 4.011 456 HD22 ASN 57 HD22 ASN 57 -24.498 -6.792 4.420 457 H ILE 58 H ILE 58 -22.096 -1.784 1.883 458 HA ILE 58 HA ILE 58 -19.563 -2.290 0.488 459 HB ILE 58 HB ILE 58 -21.147 0.246 0.836 460 HG12 ILE 58 HG12 ILE 58 -21.690 -1.315 -1.020 461 HG13 ILE 58 HG13 ILE 58 -21.156 0.268 -1.575 462 HG21 ILE 58 HG21 ILE 58 -18.315 -0.012 -0.178 463 HG22 ILE 58 HG22 ILE 58 -18.831 0.822 1.288 464 HG23 ILE 58 HG23 ILE 58 -19.313 1.439 -0.292 465 HD11 ILE 58 HD11 ILE 58 -20.197 -1.503 -2.924 466 HD12 ILE 58 HD12 ILE 58 -19.490 -2.239 -1.484 467 HD13 ILE 58 HD13 ILE 58 -18.938 -0.655 -2.029 468 H VAL 59 H VAL 59 -17.874 -2.519 1.695 469 HA VAL 59 HA VAL 59 -17.792 -1.320 4.362 470 HB VAL 59 HB VAL 59 -15.885 -3.258 3.033 471 HG11 VAL 59 HG11 VAL 59 -14.717 -1.873 4.645 472 HG12 VAL 59 HG12 VAL 59 -14.912 -3.509 5.276 473 HG13 VAL 59 HG13 VAL 59 -15.951 -2.210 5.860 474 HG21 VAL 59 HG21 VAL 59 -16.802 -4.888 4.616 475 HG22 VAL 59 HG22 VAL 59 -18.045 -4.256 3.532 476 HG23 VAL 59 HG23 VAL 59 -17.946 -3.674 5.194 477 H ALA 60 H ALA 60 -16.077 -1.313 1.278 478 HA ALA 60 HA ALA 60 -14.763 1.189 2.121 479 HB1 ALA 60 1HB ALA 60 -13.131 -0.632 2.198 480 HB2 ALA 60 HB2 ALA 60 -12.741 0.540 0.937 481 HB3 ALA 60 HB3 ALA 60 -13.473 -1.009 0.508 482 H TYR 61 H TYR 61 -14.454 2.730 0.527 483 HA TYR 61 HA TYR 61 -15.274 2.132 -2.192 484 HB2 TYR 61 HB2 TYR 61 -17.335 2.926 -0.983 485 HB3 TYR 61 HB3 TYR 61 -16.505 4.451 -0.682 486 HD1 TYR 61 HD1 TYR 61 -17.537 2.194 -3.441 487 HD2 TYR 61 HD2 TYR 61 -16.668 6.181 -2.259 488 HE1 TYR 61 HE1 TYR 61 -18.271 2.982 -5.643 489 HE2 TYR 61 HE2 TYR 61 -17.404 6.999 -4.461 490 HH TYR 61 HH TYR 61 -18.995 4.937 -6.780 491 H GLY 62 H GLY 62 -14.079 3.200 -3.642 492 HA2 GLY 62 HA2 GLY 62 -12.779 5.708 -2.930 493 HA3 GLY 62 HA3 GLY 62 -11.720 4.356 -3.312 494 H LYS 63 H LYS 63 -13.841 6.762 -4.564 495 HA LYS 63 HA LYS 63 -13.613 5.712 -7.280 496 HB2 LYS 63 HB2 LYS 63 -15.824 6.420 -6.506 497 HB3 LYS 63 HB3 LYS 63 -15.200 8.025 -6.154 498 HG2 LYS 63 HG2 LYS 63 -14.714 8.333 -8.544 499 HG3 LYS 63 HG3 LYS 63 -15.429 6.751 -8.871 500 HD2 LYS 63 HD2 LYS 63 -17.060 8.479 -9.296 501 HD3 LYS 63 HD3 LYS 63 -17.540 7.541 -7.878 502 HE2 LYS 63 HE2 LYS 63 -16.550 9.300 -6.442 503 HE3 LYS 63 HE3 LYS 63 -16.223 10.251 -7.889 504 HZ1 LYS 63 HZ1 LYS 63 -18.624 10.223 -8.354 505 HZ2 LYS 63 HZ2 LYS 63 -18.252 10.994 -6.893 506 HZ3 LYS 63 HZ3 LYS 63 -18.888 9.419 -6.884 507 H SER 64 H SER 64 -12.075 6.452 -8.601 508 HA SER 64 HA SER 64 -11.304 9.241 -8.536 509 HB2 SER 64 HB2 SER 64 -9.260 7.062 -8.069 510 HB3 SER 64 HB3 SER 64 -8.887 8.759 -8.367 511 HG SER 64 HG SER 64 -10.691 8.458 -6.356 512 H ARG 65 H ARG 65 -9.992 9.852 -10.388 513 HA ARG 65 HA ARG 65 -10.670 8.359 -12.748 514 HB2 ARG 65 HB2 ARG 65 -9.499 10.154 -13.958 515 HB3 ARG 65 HB3 ARG 65 -10.664 10.800 -12.811 516 HG2 ARG 65 HG2 ARG 65 -8.873 11.302 -11.247 517 HG3 ARG 65 HG3 ARG 65 -7.692 10.614 -12.363 518 HD2 ARG 65 HD2 ARG 65 -7.666 13.016 -12.558 519 HD3 ARG 65 HD3 ARG 65 -8.334 12.323 -14.033 520 HE ARG 65 HE ARG 65 -10.557 12.846 -12.652 521 HH11 ARG 65 1HH1 ARG 65 -7.714 14.797 -13.242 522 HH12 ARG 65 2HH1 ARG 65 -8.575 16.303 -13.166 523 HH21 ARG 65 1HH2 ARG 65 -11.703 14.818 -12.556 524 HH22 ARG 65 2HH2 ARG 65 -10.851 16.320 -12.797 525 H LYS 66 H LYS 66 -8.054 8.531 -10.558 526 HA LYS 66 HA LYS 66 -6.307 6.996 -12.342 527 HB2 LYS 66 HB2 LYS 66 -5.682 8.119 -9.604 528 HB3 LYS 66 HB3 LYS 66 -4.535 7.462 -10.759 529 HG2 LYS 66 HG2 LYS 66 -6.183 9.820 -11.534 530 HG3 LYS 66 HG3 LYS 66 -4.811 10.045 -10.453 531 HD2 LYS 66 HD2 LYS 66 -4.043 10.442 -12.667 532 HD3 LYS 66 HD3 LYS 66 -3.392 8.883 -12.164 533 HE2 LYS 66 HE2 LYS 66 -5.135 7.739 -13.432 534 HE3 LYS 66 HE3 LYS 66 -5.825 9.292 -13.903 535 HZ1 LYS 66 HZ1 LYS 66 -4.386 8.294 -15.622 536 HZ2 LYS 66 HZ2 LYS 66 -3.066 8.421 -14.569 537 HZ3 LYS 66 HZ3 LYS 66 -3.851 9.820 -15.118 538 H VAL 67 H VAL 67 -6.289 4.838 -12.121 539 HA VAL 67 HA VAL 67 -7.927 3.433 -10.360 540 HB VAL 67 HB VAL 67 -7.168 2.375 -12.372 541 HG11 VAL 67 HG11 VAL 67 -5.014 3.426 -12.603 542 HG12 VAL 67 HG12 VAL 67 -4.851 1.671 -12.699 543 HG13 VAL 67 HG13 VAL 67 -4.401 2.522 -11.221 544 HG21 VAL 67 HG21 VAL 67 -6.100 0.985 -9.925 545 HG22 VAL 67 HG22 VAL 67 -6.249 0.219 -11.505 546 HG23 VAL 67 HG23 VAL 67 -7.687 0.791 -10.667 547 H ALA 68 H ALA 68 -4.502 4.254 -10.071 548 HA ALA 68 HA ALA 68 -3.924 2.720 -7.793 549 HB1 ALA 68 1HB ALA 68 -1.998 4.225 -7.510 550 HB2 ALA 68 HB2 ALA 68 -2.684 5.304 -8.725 551 HB3 ALA 68 HB3 ALA 68 -2.180 3.676 -9.177 552 H ASN 69 H ASN 69 -5.091 6.043 -8.126 553 HA ASN 69 HA ASN 69 -4.977 6.655 -5.353 554 HB2 ASN 69 HB2 ASN 69 -5.076 8.334 -7.271 555 HB3 ASN 69 HB3 ASN 69 -6.794 7.974 -7.375 556 HD21 ASN 69 HD21 ASN 69 -8.184 8.762 -5.830 557 HD22 ASN 69 HD22 ASN 69 -7.686 9.888 -4.613 558 H ALA 70 H ALA 70 -7.544 5.586 -7.524 559 HA ALA 70 HA ALA 70 -9.684 5.681 -5.739 560 HB1 ALA 70 1HB ALA 70 -10.796 4.145 -7.259 561 HB2 ALA 70 HB2 ALA 70 -9.251 3.752 -8.015 562 HB3 ALA 70 HB3 ALA 70 -9.917 5.379 -8.161 563 H LYS 71 H LYS 71 -7.550 2.953 -6.551 564 HA LYS 71 HA LYS 71 -8.617 1.094 -4.750 565 HB2 LYS 71 HB2 LYS 71 -5.763 1.398 -5.688 566 HB3 LYS 71 HB3 LYS 71 -6.404 -0.016 -4.870 567 HG2 LYS 71 HG2 LYS 71 -7.949 -0.353 -6.715 568 HG3 LYS 71 HG3 LYS 71 -7.251 1.048 -7.526 569 HD2 LYS 71 HD2 LYS 71 -5.805 -1.497 -6.792 570 HD3 LYS 71 HD3 LYS 71 -6.288 -1.000 -8.414 571 HE2 LYS 71 HE2 LYS 71 -4.812 0.920 -8.293 572 HE3 LYS 71 HE3 LYS 71 -4.369 0.501 -6.639 573 HZ1 LYS 71 HZ1 LYS 71 -2.650 -0.270 -8.054 574 HZ2 LYS 71 HZ2 LYS 71 -3.742 -1.015 -9.115 575 HZ3 LYS 71 HZ3 LYS 71 -3.511 -1.644 -7.560 576 H TYR 72 H TYR 72 -6.150 3.561 -4.374 577 HA TYR 72 HA TYR 72 -5.119 2.795 -1.931 578 HB2 TYR 72 HB2 TYR 72 -3.914 4.453 -3.075 579 HB3 TYR 72 HB3 TYR 72 -5.345 5.445 -3.333 580 HD1 TYR 72 HD2 TYR 72 -2.937 4.328 -0.723 581 HD2 TYR 72 HD1 TYR 72 -5.905 7.163 -1.851 582 HE1 TYR 72 HE2 TYR 72 -2.357 5.707 1.233 583 HE2 TYR 72 HE1 TYR 72 -5.332 8.549 0.098 584 HH TYR 72 HH TYR 72 -4.319 8.261 2.326 585 H ILE 73 H ILE 73 -7.810 4.946 -2.660 586 HA ILE 73 HA ILE 73 -8.375 5.811 -0.063 587 HB ILE 73 HB ILE 73 -10.230 5.484 -2.417 588 HG12 ILE 73 HG12 ILE 73 -8.974 8.029 -1.423 589 HG13 ILE 73 HG13 ILE 73 -8.123 6.972 -2.546 590 HG21 ILE 73 HG21 ILE 73 -11.467 5.637 -0.305 591 HG22 ILE 73 HG22 ILE 73 -11.689 7.082 -1.294 592 HG23 ILE 73 HG23 ILE 73 -10.598 7.121 0.093 593 HD11 ILE 73 HD11 ILE 73 -9.239 8.734 -3.736 594 HD12 ILE 73 HD12 ILE 73 -10.783 8.287 -3.005 595 HD13 ILE 73 HD13 ILE 73 -9.976 7.180 -4.120 596 H MET 74 H MET 74 -9.980 3.247 -1.963 597 HA MET 74 HA MET 74 -11.710 2.467 0.111 598 HB2 MET 74 HB2 MET 74 -12.192 0.486 -1.208 599 HB3 MET 74 HB3 MET 74 -12.111 1.895 -2.258 600 HG2 MET 74 HG2 MET 74 -10.083 1.240 -3.173 601 HG3 MET 74 HG3 MET 74 -9.746 0.118 -1.856 602 HE1 MET 74 HE1 MET 74 -9.007 -1.467 -3.930 603 HE2 MET 74 HE2 MET 74 -10.114 -2.841 -3.982 604 HE3 MET 74 HE3 MET 74 -9.596 -2.179 -2.427 605 H LYS 75 H LYS 75 -8.483 1.313 -0.817 606 HA LYS 75 HA LYS 75 -8.430 -0.936 0.850 607 HB2 LYS 75 HB2 LYS 75 -6.237 0.822 -0.235 608 HB3 LYS 75 HB3 LYS 75 -5.909 -0.621 0.718 609 HG2 LYS 75 HG2 LYS 75 -6.910 -2.032 -0.909 610 HG3 LYS 75 HG3 LYS 75 -7.562 -0.654 -1.795 611 HD2 LYS 75 HD2 LYS 75 -5.302 0.063 -2.356 612 HD3 LYS 75 HD3 LYS 75 -4.637 -1.302 -1.452 613 HE2 LYS 75 HE2 LYS 75 -6.482 -1.535 -3.826 614 HE3 LYS 75 HE3 LYS 75 -4.727 -1.679 -3.903 615 HZ1 LYS 75 HZ1 LYS 75 -6.111 -3.803 -3.764 616 HZ2 LYS 75 HZ2 LYS 75 -6.319 -3.425 -2.128 617 HZ3 LYS 75 HZ3 LYS 75 -4.763 -3.682 -2.746 618 H GLN 76 H GLN 76 -7.396 2.406 1.459 619 HA GLN 76 HA GLN 76 -6.448 1.972 4.078 620 HB2 GLN 76 HB2 GLN 76 -7.406 4.413 2.611 621 HB3 GLN 76 HB3 GLN 76 -6.942 4.494 4.306 622 HG2 GLN 76 HG2 GLN 76 -5.165 3.501 2.088 623 HG3 GLN 76 HG3 GLN 76 -5.130 5.131 2.763 624 HE21 GLN 76 HE21 GLN 76 -3.054 3.049 2.726 625 HE22 GLN 76 HE22 GLN 76 -2.627 2.791 4.380 626 H ARG 77 H ARG 77 -9.662 2.220 2.837 627 HA ARG 77 HA ARG 77 -10.990 3.002 5.209 628 HB2 ARG 77 HB2 ARG 77 -12.011 1.305 2.924 629 HB3 ARG 77 HB3 ARG 77 -13.012 2.042 4.169 630 HG2 ARG 77 HG2 ARG 77 -11.254 3.610 2.301 631 HG3 ARG 77 HG3 ARG 77 -12.953 3.256 1.987 632 HD2 ARG 77 HD2 ARG 77 -12.151 4.534 4.567 633 HD3 ARG 77 HD3 ARG 77 -12.260 5.511 3.103 634 HE ARG 77 HE ARG 77 -14.622 4.216 3.122 635 HH11 ARG 77 1HH1 ARG 77 -12.952 5.945 5.657 636 HH12 ARG 77 2HH1 ARG 77 -14.406 6.615 6.331 637 HH21 ARG 77 1HH2 ARG 77 -16.539 5.080 3.998 638 HH22 ARG 77 2HH2 ARG 77 -16.446 6.122 5.387 639 H LEU 78 H LEU 78 -10.800 -0.288 3.759 640 HA LEU 78 HA LEU 78 -11.604 -1.578 6.148 641 HB2 LEU 78 HB2 LEU 78 -9.779 -3.032 4.324 642 HB3 LEU 78 HB3 LEU 78 -11.253 -3.570 5.108 643 HG LEU 78 HG LEU 78 -12.189 -1.708 3.326 644 HD11 LEU 78 HD11 LEU 78 -11.143 -2.250 1.181 645 HD12 LEU 78 HD12 LEU 78 -9.935 -3.228 2.016 646 HD13 LEU 78 HD13 LEU 78 -9.997 -1.485 2.282 647 HD21 LEU 78 HD21 LEU 78 -12.952 -3.658 2.062 648 HD22 LEU 78 HD22 LEU 78 -13.151 -3.874 3.799 649 HD23 LEU 78 HD23 LEU 78 -11.822 -4.673 2.959 650 H LEU 79 H LEU 79 -8.493 -0.591 4.917 651 HA LEU 79 HA LEU 79 -6.754 -2.051 6.502 652 HB2 LEU 79 HB2 LEU 79 -6.116 -0.549 4.634 653 HB3 LEU 79 HB3 LEU 79 -6.490 0.836 5.634 654 HG LEU 79 HG LEU 79 -4.026 0.160 5.313 655 HD11 LEU 79 HD11 LEU 79 -3.443 0.926 7.535 656 HD12 LEU 79 HD12 LEU 79 -5.076 0.583 8.105 657 HD13 LEU 79 HD13 LEU 79 -4.809 1.849 6.905 658 HD21 LEU 79 HD21 LEU 79 -3.176 -1.474 6.903 659 HD22 LEU 79 HD22 LEU 79 -4.318 -2.221 5.784 660 HD23 LEU 79 HD23 LEU 79 -4.820 -1.833 7.430 661 H LYS 80 H LYS 80 -8.292 1.064 7.205 662 HA LYS 80 HA LYS 80 -7.186 1.337 9.796 663 HB2 LYS 80 HB2 LYS 80 -8.772 2.894 8.106 664 HB3 LYS 80 HB3 LYS 80 -9.801 2.584 9.496 665 HG2 LYS 80 HG2 LYS 80 -7.054 3.815 9.549 666 HG3 LYS 80 HG3 LYS 80 -8.584 4.658 9.772 667 HD2 LYS 80 HD2 LYS 80 -7.455 2.517 11.575 668 HD3 LYS 80 HD3 LYS 80 -7.472 4.250 11.907 669 HE2 LYS 80 HE2 LYS 80 -9.898 2.502 11.533 670 HE3 LYS 80 HE3 LYS 80 -9.268 3.059 13.080 671 HZ1 LYS 80 HZ1 LYS 80 -9.691 5.338 12.390 672 HZ2 LYS 80 HZ2 LYS 80 -11.118 4.420 12.348 673 HZ3 LYS 80 HZ3 LYS 80 -10.308 4.799 10.907 674 H LEU 81 H LEU 81 -9.987 -0.301 8.518 675 HA LEU 81 HA LEU 81 -11.377 -0.570 10.984 676 HB2 LEU 81 HB2 LEU 81 -11.644 -2.143 8.427 677 HB3 LEU 81 HB3 LEU 81 -12.767 -2.207 9.773 678 HG LEU 81 HG LEU 81 -12.196 0.214 8.061 679 HD11 LEU 81 HD11 LEU 81 -14.467 -0.093 7.251 680 HD12 LEU 81 HD12 LEU 81 -14.635 -1.545 8.239 681 HD13 LEU 81 HD13 LEU 81 -13.478 -1.512 6.909 682 HD21 LEU 81 HD21 LEU 81 -14.046 1.254 9.276 683 HD22 LEU 81 HD22 LEU 81 -12.706 0.858 10.351 684 HD23 LEU 81 HD23 LEU 81 -14.150 -0.156 10.330 685 H LEU 82 H LEU 82 -9.073 -2.617 9.250 686 HA LEU 82 HA LEU 82 -9.390 -4.737 11.187 687 HB2 LEU 82 HB2 LEU 82 -7.469 -5.786 9.954 688 HB3 LEU 82 HB3 LEU 82 -8.922 -5.496 9.020 689 HG LEU 82 HG LEU 82 -7.497 -3.231 8.502 690 HD11 LEU 82 HD11 LEU 82 -5.509 -3.984 9.649 691 HD12 LEU 82 HD12 LEU 82 -5.223 -3.970 7.905 692 HD13 LEU 82 HD13 LEU 82 -5.526 -5.495 8.738 693 HD21 LEU 82 HD21 LEU 82 -6.967 -4.335 6.353 694 HD22 LEU 82 HD22 LEU 82 -8.648 -4.521 6.853 695 HD23 LEU 82 HD23 LEU 82 -7.515 -5.862 7.043 696 H GLU 83 H GLU 83 -7.291 -2.004 10.752 697 HA GLU 83 HA GLU 83 -5.313 -2.746 12.648 698 HB2 GLU 83 HB2 GLU 83 -6.301 -0.050 11.709 699 HB3 GLU 83 HB3 GLU 83 -4.963 -0.243 12.829 700 HG2 GLU 83 HG2 GLU 83 -5.021 -1.429 10.070 701 HG3 GLU 83 HG3 GLU 83 -4.318 0.140 10.460 702 H ASP 84 H ASP 84 -8.354 -0.997 12.854 703 HA ASP 84 HA ASP 84 -8.029 -0.501 15.700 704 HB2 ASP 84 HB2 ASP 84 -8.853 1.274 14.184 705 HB3 ASP 84 HB3 ASP 84 -10.250 0.281 13.795 706 H LYS 85 H LYS 85 -9.491 -2.742 13.627 707 HA LYS 85 HA LYS 85 -10.738 -4.595 13.931 708 HB2 LYS 85 HB2 LYS 85 -10.388 -4.004 16.873 709 HB3 LYS 85 HB3 LYS 85 -11.089 -5.481 16.220 710 HG2 LYS 85 HG2 LYS 85 -8.282 -4.509 15.699 711 HG3 LYS 85 HG3 LYS 85 -8.732 -5.758 16.866 712 HD2 LYS 85 HD2 LYS 85 -9.211 -5.898 13.884 713 HD3 LYS 85 HD3 LYS 85 -7.891 -6.695 14.738 714 HE2 LYS 85 HE2 LYS 85 -10.819 -7.187 15.264 715 HE3 LYS 85 HE3 LYS 85 -9.807 -8.193 14.229 716 HZ1 LYS 85 HZ1 LYS 85 -8.373 -8.591 16.197 717 HZ2 LYS 85 HZ2 LYS 85 -9.944 -9.196 16.374 718 HZ3 LYS 85 HZ3 LYS 85 -9.501 -7.757 17.156 719 H SER 86 H SER 86 -11.948 -2.161 13.390 720 HA SER 86 HA SER 86 -14.333 -1.852 14.952 721 HB2 SER 86 HB2 SER 86 -13.825 -0.879 12.132 722 HB3 SER 86 HB3 SER 86 -14.967 -0.223 13.306 723 HG SER 86 HG SER 86 -12.697 -0.084 14.529 724 H ASN 87 H ASN 87 -16.413 -2.591 14.452 725 HA ASN 87 HA ASN 87 -16.466 -5.162 13.224 726 HB2 ASN 87 HB2 ASN 87 -18.728 -5.307 13.893 727 HB3 ASN 87 HB3 ASN 87 -17.913 -4.405 15.165 728 HD21 ASN 87 HD21 ASN 87 -18.336 -2.166 15.355 729 HD22 ASN 87 HD22 ASN 87 -19.740 -1.446 14.622 730 H LEU 88 H LEU 88 -16.542 -2.187 11.786 731 HA LEU 88 HA LEU 88 -18.714 -2.363 10.026 732 HB2 LEU 88 HB2 LEU 88 -16.096 -0.897 9.757 733 HB3 LEU 88 HB3 LEU 88 -17.412 -0.735 8.611 734 HG LEU 88 HG LEU 88 -17.669 1.111 9.985 735 HD11 LEU 88 HD11 LEU 88 -19.419 -0.999 11.236 736 HD12 LEU 88 HD12 LEU 88 -19.758 -0.129 9.737 737 HD13 LEU 88 HD13 LEU 88 -19.699 0.745 11.269 738 HD21 LEU 88 HD21 LEU 88 -16.030 0.506 11.675 739 HD22 LEU 88 HD22 LEU 88 -17.163 -0.649 12.376 740 HD23 LEU 88 HD23 LEU 88 -17.522 1.078 12.421 741 H LEU 89 H LEU 89 -15.452 -3.623 9.790 742 HA LEU 89 HA LEU 89 -16.235 -4.938 7.269 743 HB2 LEU 89 HB2 LEU 89 -14.227 -3.705 6.944 744 HB3 LEU 89 HB3 LEU 89 -13.528 -4.303 8.433 745 HG LEU 89 HG LEU 89 -13.551 -6.595 7.394 746 HD11 LEU 89 HD11 LEU 89 -15.190 -6.127 5.645 747 HD12 LEU 89 HD12 LEU 89 -13.685 -6.783 5.001 748 HD13 LEU 89 HD13 LEU 89 -14.028 -5.062 4.860 749 HD21 LEU 89 HD21 LEU 89 -11.511 -6.188 6.124 750 HD22 LEU 89 HD22 LEU 89 -11.535 -5.271 7.630 751 HD23 LEU 89 HD23 LEU 89 -11.874 -4.463 6.099 752 H LEU 90 H LEU 90 -15.576 -5.417 10.560 753 HA LEU 90 HA LEU 90 -14.839 -8.235 10.153 754 HB2 LEU 90 HB2 LEU 90 -14.307 -6.609 12.617 755 HB3 LEU 90 HB3 LEU 90 -13.507 -8.078 12.086 756 HG LEU 90 HG LEU 90 -13.295 -5.510 10.538 757 HD11 LEU 90 HD11 LEU 90 -11.550 -6.468 12.792 758 HD12 LEU 90 HD12 LEU 90 -12.534 -5.001 12.745 759 HD13 LEU 90 HD13 LEU 90 -11.139 -5.164 11.678 760 HD21 LEU 90 HD21 LEU 90 -11.260 -6.522 9.673 761 HD22 LEU 90 HD22 LEU 90 -12.658 -7.556 9.370 762 HD23 LEU 90 HD23 LEU 90 -11.534 -7.952 10.671 763 H TYR 91 H TYR 91 -17.627 -6.959 10.553 764 HA TYR 91 HA TYR 91 -18.485 -7.718 13.140 765 HB2 TYR 91 HB2 TYR 91 -20.756 -7.408 12.333 766 HB3 TYR 91 HB3 TYR 91 -19.733 -6.092 11.782 767 HD1 TYR 91 HD2 TYR 91 -21.350 -9.259 10.698 768 HD2 TYR 91 HD1 TYR 91 -19.535 -5.597 9.493 769 HE1 TYR 91 HE2 TYR 91 -22.106 -9.647 8.397 770 HE2 TYR 91 HE1 TYR 91 -20.277 -5.980 7.184 771 HH TYR 91 HH TYR 91 -21.066 -7.588 5.744 772 H SER 92 H SER 92 -20.083 -9.376 13.617 773 HA SER 92 HA SER 92 -19.102 -11.898 12.622 774 HB2 SER 92 HB2 SER 92 -20.572 -12.803 14.496 775 HB3 SER 92 HB3 SER 92 -19.236 -11.762 14.987 776 HG SER 92 HG SER 92 -21.049 -11.066 16.074 777 H CYS 93 H CYS 93 -20.110 -13.221 11.350 778 HA CYS 93 HA CYS 93 -22.987 -12.930 10.798 779 HB2 CYS 93 HB2 CYS 93 -22.616 -13.168 8.458 780 HB3 CYS 93 HB3 CYS 93 -21.536 -11.887 9.012 781 H ASN 94 H ASN 94 -23.720 -14.956 9.515 782 HA ASN 94 HA ASN 94 -22.371 -17.282 10.716 783 HB2 ASN 94 HB2 ASN 94 -24.740 -16.766 11.444 784 HB3 ASN 94 HB3 ASN 94 -25.249 -17.147 9.804 785 HD21 ASN 94 HD21 ASN 94 -23.837 -18.413 12.725 786 HD22 ASN 94 HD22 ASN 94 -24.202 -20.078 12.415 787 H CYS 95 H CYS 95 -20.996 -16.821 8.575 788 HA CYS 95 HA CYS 95 -22.200 -18.077 6.281 789 HB2 CYS 95 HB2 CYS 95 -19.453 -17.034 6.872 790 HB3 CYS 95 HB3 CYS 95 -19.730 -18.059 5.464 791 H LYS 96 H LYS 96 -20.242 -19.058 9.003 792 HA LYS 96 HA LYS 96 -20.668 -21.823 8.167 793 HB2 LYS 96 HB2 LYS 96 -18.402 -22.450 9.033 794 HB3 LYS 96 HB3 LYS 96 -18.391 -21.509 7.555 795 HG2 LYS 96 HG2 LYS 96 -17.852 -19.501 8.861 796 HG3 LYS 96 HG3 LYS 96 -17.807 -20.490 10.322 797 HD2 LYS 96 HD2 LYS 96 -16.065 -20.940 7.897 798 HD3 LYS 96 HD3 LYS 96 -15.558 -20.058 9.335 799 HE2 LYS 96 HE2 LYS 96 -15.942 -22.072 10.687 800 HE3 LYS 96 HE3 LYS 96 -16.410 -22.949 9.231 801 HZ1 LYS 96 HZ1 LYS 96 -14.238 -22.861 8.403 802 HZ2 LYS 96 HZ2 LYS 96 -14.043 -23.223 10.049 803 HZ3 LYS 96 HZ3 LYS 96 -13.760 -21.649 9.487 804 H PHE 97 H PHE 97 -19.616 -19.743 10.870 805 HA PHE 97 HA PHE 97 -21.619 -21.003 12.535 806 HB2 PHE 97 HB2 PHE 97 -20.101 -21.573 14.351 807 HB3 PHE 97 HB3 PHE 97 -19.626 -22.434 12.893 808 HD1 PHE 97 HD1 PHE 97 -18.775 -19.589 15.099 809 HD2 PHE 97 HD2 PHE 97 -17.485 -22.133 11.939 810 HE1 PHE 97 HE1 PHE 97 -16.491 -18.706 15.325 811 HE2 PHE 97 HE2 PHE 97 -15.201 -21.255 12.161 812 HZ PHE 97 HZ PHE 97 -14.697 -19.539 13.856 813 H SER 98 H SER 98 -22.099 -19.792 14.422 814 HA SER 98 HA SER 98 -20.769 -17.627 15.466 815 HB2 SER 98 HB2 SER 98 -21.908 -15.687 14.540 816 HB3 SER 98 HB3 SER 98 -21.073 -16.558 13.253 817 HG SER 98 HG SER 98 -23.641 -15.933 13.405 818 H LYS 99 H LYS 99 -22.874 -15.889 16.065 819 HA LYS 99 HA LYS 99 -24.501 -17.659 17.742 820 HB2 LYS 99 HB2 LYS 99 -24.226 -14.661 17.987 821 HB3 LYS 99 HB3 LYS 99 -24.784 -15.805 19.200 822 HG2 LYS 99 HG2 LYS 99 -21.987 -15.687 18.139 823 HG3 LYS 99 HG3 LYS 99 -22.537 -14.966 19.655 824 HD2 LYS 99 HD2 LYS 99 -23.013 -17.061 20.603 825 HD3 LYS 99 HD3 LYS 99 -22.933 -17.874 19.036 826 HE2 LYS 99 HE2 LYS 99 -20.956 -18.354 20.314 827 HE3 LYS 99 HE3 LYS 99 -20.560 -17.369 18.910 828 HZ1 LYS 99 HZ1 LYS 99 -20.437 -15.429 20.322 829 HZ2 LYS 99 HZ2 LYS 99 -19.395 -16.627 20.912 830 HZ3 LYS 99 HZ3 LYS 99 -20.877 -16.342 21.680 831 H LYS 100 H LYS 100 -26.797 -16.950 18.094 832 HA LYS 100 HA LYS 100 -27.931 -16.146 15.512 833 HB2 LYS 100 HB2 LYS 100 -28.754 -18.266 16.227 834 HB3 LYS 100 HB3 LYS 100 -29.089 -17.669 17.843 835 HG2 LYS 100 HG2 LYS 100 -31.104 -18.027 16.426 836 HG3 LYS 100 HG3 LYS 100 -30.948 -16.397 17.075 837 HD2 LYS 100 HD2 LYS 100 -31.677 -16.362 14.744 838 HD3 LYS 100 HD3 LYS 100 -30.093 -15.610 14.929 839 HE2 LYS 100 HE2 LYS 100 -30.057 -16.970 12.969 840 HE3 LYS 100 HE3 LYS 100 -29.063 -17.748 14.198 841 HZ1 LYS 100 HZ1 LYS 100 -30.817 -19.300 14.649 842 HZ2 LYS 100 HZ2 LYS 100 -30.523 -19.298 12.980 843 HZ3 LYS 100 HZ3 LYS 100 -31.879 -18.489 13.601 844 H LYS 101 H LYS 101 -29.111 -14.386 15.257 845 HA LYS 101 HA LYS 101 -29.002 -12.302 17.159 846 HB2 LYS 101 HB2 LYS 101 -30.293 -12.665 14.481 847 HB3 LYS 101 HB3 LYS 101 -30.681 -11.253 15.458 848 HG2 LYS 101 HG2 LYS 101 -28.918 -10.756 13.866 849 HG3 LYS 101 HG3 LYS 101 -28.325 -10.635 15.521 850 HD2 LYS 101 HD2 LYS 101 -27.385 -12.919 15.300 851 HD3 LYS 101 HD3 LYS 101 -27.891 -12.928 13.609 852 HE2 LYS 101 HE2 LYS 101 -25.568 -12.332 13.747 853 HE3 LYS 101 HE3 LYS 101 -26.497 -10.936 13.221 854 HZ1 LYS 101 HZ1 LYS 101 -26.448 -10.164 15.569 855 HZ2 LYS 101 HZ2 LYS 101 -24.924 -10.215 14.825 856 HZ3 LYS 101 HZ3 LYS 101 -25.372 -11.428 15.918
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