NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608991 | 5syq | 30154 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 29 H1 GLY 29 -3.501 -15.253 -30.438 2 H2 GLY 29 H2 GLY 29 -2.961 -14.634 -29.185 3 H3 GLY 29 H3 GLY 29 -3.139 -16.121 -29.270 4 HA2 GLY 29 HA2 GLY 29 -5.060 -14.289 -28.296 5 HA3 GLY 29 HA3 GLY 29 -5.693 -15.015 -29.765 6 H SER 30 H SER 30 -5.218 -15.407 -26.412 7 HA SER 30 HA SER 30 -7.008 -17.699 -26.640 8 HB2 SER 30 HB2 SER 30 -4.553 -17.676 -24.890 9 HB3 SER 30 HB3 SER 30 -5.855 -18.884 -24.803 10 HG SER 30 HG SER 30 -5.369 -19.411 -26.983 11 H GLU 31 H GLU 31 -8.647 -16.203 -26.041 12 HA GLU 31 HA GLU 31 -8.225 -14.188 -24.136 13 HB2 GLU 31 HB2 GLU 31 -10.528 -13.661 -24.333 14 HB3 GLU 31 HB3 GLU 31 -9.890 -14.095 -25.938 15 HG2 GLU 31 HG2 GLU 31 -11.379 -16.176 -24.259 16 HG3 GLU 31 HG3 GLU 31 -12.178 -14.911 -25.219 17 H GLU 32 H GLU 32 -9.008 -17.495 -23.750 18 HA GLU 32 HA GLU 32 -8.965 -17.005 -20.857 19 HB2 GLU 32 HB2 GLU 32 -10.751 -18.957 -22.292 20 HB3 GLU 32 HB3 GLU 32 -10.468 -18.954 -20.534 21 HG2 GLU 32 HG2 GLU 32 -11.490 -16.626 -20.420 22 HG3 GLU 32 HG3 GLU 32 -11.653 -16.762 -22.186 23 H LYS 33 H LYS 33 -6.644 -17.412 -21.533 24 HA LYS 33 HA LYS 33 -5.545 -19.677 -20.613 25 HB2 LYS 33 HB2 LYS 33 -6.811 -21.064 -22.043 26 HB3 LYS 33 HB3 LYS 33 -6.388 -20.085 -23.467 27 HG2 LYS 33 HG2 LYS 33 -4.068 -20.834 -23.330 28 HG3 LYS 33 HG3 LYS 33 -4.434 -21.756 -21.852 29 HD2 LYS 33 HD2 LYS 33 -6.007 -23.164 -23.112 30 HD3 LYS 33 HD3 LYS 33 -5.654 -22.239 -24.591 31 HE2 LYS 33 HE2 LYS 33 -3.300 -22.931 -24.465 32 HE3 LYS 33 HE3 LYS 33 -3.649 -23.854 -22.986 33 HZ1 LYS 33 HZ1 LYS 33 -3.627 -25.263 -24.930 34 HZ2 LYS 33 HZ2 LYS 33 -5.141 -25.228 -24.275 35 HZ3 LYS 33 HZ3 LYS 33 -4.816 -24.371 -25.646 36 H GLU 34 H GLU 34 -4.439 -17.413 -20.481 37 HA GLU 34 HA GLU 34 -2.146 -17.303 -22.174 38 HB2 GLU 34 HB2 GLU 34 -3.891 -16.467 -23.699 39 HB3 GLU 34 HB3 GLU 34 -4.225 -15.156 -22.542 40 HG2 GLU 34 HG2 GLU 34 -1.876 -14.275 -22.909 41 HG3 GLU 34 HG3 GLU 34 -1.650 -15.689 -23.964 42 H GLU 35 H GLU 35 -4.253 -15.027 -20.398 43 HA GLU 35 HA GLU 35 -1.911 -14.258 -18.791 44 HB2 GLU 35 HB2 GLU 35 -3.904 -12.429 -20.110 45 HB3 GLU 35 HB3 GLU 35 -2.740 -11.914 -18.866 46 HG2 GLU 35 HG2 GLU 35 -0.849 -12.609 -20.447 47 HG3 GLU 35 HG3 GLU 35 -2.158 -13.056 -21.565 48 H LYS 36 H LYS 36 -2.277 -14.004 -16.648 49 HA LYS 36 HA LYS 36 -5.074 -13.738 -15.757 50 HB2 LYS 36 HB2 LYS 36 -2.761 -15.091 -14.392 51 HB3 LYS 36 HB3 LYS 36 -4.308 -14.718 -13.596 52 HG2 LYS 36 HG2 LYS 36 -5.475 -16.137 -15.268 53 HG3 LYS 36 HG3 LYS 36 -3.898 -16.561 -15.974 54 HD2 LYS 36 HD2 LYS 36 -3.205 -17.472 -13.755 55 HD3 LYS 36 HD3 LYS 36 -4.848 -17.151 -13.151 56 HE2 LYS 36 HE2 LYS 36 -5.780 -18.650 -14.851 57 HE3 LYS 36 HE3 LYS 36 -4.148 -18.954 -15.488 58 HZ1 LYS 36 HZ1 LYS 36 -4.870 -20.710 -14.018 59 HZ2 LYS 36 HZ2 LYS 36 -3.571 -19.927 -13.369 60 HZ3 LYS 36 HZ3 LYS 36 -5.085 -19.644 -12.777 61 H LYS 37 H LYS 37 -3.881 -11.417 -16.452 62 HA LYS 37 HA LYS 37 -1.814 -10.650 -14.609 63 HB2 LYS 37 HB2 LYS 37 -1.693 -10.143 -16.996 64 HB3 LYS 37 HB3 LYS 37 -3.116 -9.088 -16.829 65 HG2 LYS 37 HG2 LYS 37 -1.853 -7.620 -15.308 66 HG3 LYS 37 HG3 LYS 37 -0.428 -8.674 -15.476 67 HD2 LYS 37 HD2 LYS 37 -0.322 -8.194 -17.870 68 HD3 LYS 37 HD3 LYS 37 -1.790 -7.195 -17.752 69 HE2 LYS 37 HE2 LYS 37 -0.608 -5.688 -16.183 70 HE3 LYS 37 HE3 LYS 37 0.865 -6.663 -16.385 71 HZ1 LYS 37 HZ1 LYS 37 0.882 -4.723 -17.801 72 HZ2 LYS 37 HZ2 LYS 37 0.844 -6.094 -18.719 73 HZ3 LYS 37 HZ3 LYS 37 -0.522 -5.189 -18.531 74 H VAL 38 H VAL 38 -1.805 -8.666 -13.382 75 HA VAL 38 HA VAL 38 -4.479 -8.059 -12.310 76 HB VAL 38 HB VAL 38 -3.347 -7.378 -10.221 77 HG11 VAL 38 HG11 VAL 38 -2.648 -9.639 -9.503 78 HG12 VAL 38 HG12 VAL 38 -4.131 -9.707 -10.484 79 HG13 VAL 38 HG13 VAL 38 -2.567 -10.154 -11.204 80 HG21 VAL 38 HG21 VAL 38 -0.976 -7.868 -9.894 81 HG22 VAL 38 HG22 VAL 38 -0.833 -8.320 -11.610 82 HG23 VAL 38 HG23 VAL 38 -1.236 -6.646 -11.159 83 H ARG 39 H ARG 39 -4.093 -5.793 -10.940 84 HA ARG 39 HA ARG 39 -4.192 -3.912 -13.098 85 HB2 ARG 39 HB2 ARG 39 -4.500 -3.412 -10.184 86 HB3 ARG 39 HB3 ARG 39 -4.830 -2.267 -11.504 87 HG2 ARG 39 HG2 ARG 39 -6.260 -4.908 -11.076 88 HG3 ARG 39 HG3 ARG 39 -6.886 -3.313 -10.593 89 HD2 ARG 39 HD2 ARG 39 -6.283 -4.219 -13.390 90 HD3 ARG 39 HD3 ARG 39 -7.891 -4.099 -12.637 91 HE ARG 39 HE ARG 39 -6.362 -1.763 -13.685 92 HH11 ARG 39 HH11 ARG 39 -9.056 -2.849 -11.755 93 HH12 ARG 39 HH12 ARG 39 -9.789 -1.261 -11.875 94 HH21 ARG 39 HH21 ARG 39 -7.192 0.057 -13.838 95 HH22 ARG 39 HH22 ARG 39 -8.727 0.397 -13.064 96 H GLU 40 H GLU 40 -2.845 -2.134 -13.478 97 HA GLU 40 HA GLU 40 -0.116 -2.946 -12.983 98 HB2 GLU 40 HB2 GLU 40 0.501 -1.441 -14.729 99 HB3 GLU 40 HB3 GLU 40 -0.894 -2.423 -15.239 100 HG2 GLU 40 HG2 GLU 40 -2.398 -0.406 -14.710 101 HG3 GLU 40 HG3 GLU 40 -0.874 0.414 -14.301 102 H LEU 41 H LEU 41 1.407 -0.759 -13.074 103 HA LEU 41 HA LEU 41 0.708 0.557 -10.533 104 HB2 LEU 41 HB2 LEU 41 3.324 -0.419 -11.432 105 HB3 LEU 41 HB3 LEU 41 3.087 0.275 -9.811 106 HG LEU 41 HG LEU 41 1.853 -2.311 -10.839 107 HD11 LEU 41 HD11 LEU 41 3.397 -3.418 -9.200 108 HD12 LEU 41 HD12 LEU 41 4.305 -2.513 -10.434 109 HD13 LEU 41 HD13 LEU 41 4.092 -1.829 -8.805 110 HD21 LEU 41 HD21 LEU 41 1.134 -2.636 -8.498 111 HD22 LEU 41 HD22 LEU 41 1.783 -1.027 -8.094 112 HD23 LEU 41 HD23 LEU 41 0.428 -1.179 -9.237 113 H THR 42 H THR 42 0.021 2.284 -12.052 114 HA THR 42 HA THR 42 2.187 3.782 -13.294 115 HB THR 42 HB THR 42 0.457 5.280 -14.156 116 HG1 THR 42 HG1 THR 42 -1.776 4.671 -13.653 117 HG21 THR 42 HG21 THR 42 -0.796 3.652 -15.527 118 HG22 THR 42 HG22 THR 42 0.916 3.188 -15.389 119 HG23 THR 42 HG23 THR 42 -0.314 2.346 -14.419 120 HA PRO 43 HA PRO 43 2.775 6.767 -10.076 121 HB2 PRO 43 HB2 PRO 43 3.128 9.058 -11.530 122 HB3 PRO 43 HB3 PRO 43 4.369 7.808 -11.362 123 HG2 PRO 43 HG2 PRO 43 2.391 8.238 -13.625 124 HG3 PRO 43 HG3 PRO 43 4.123 7.890 -13.715 125 HD2 PRO 43 HD2 PRO 43 2.293 5.904 -14.070 126 HD3 PRO 43 HD3 PRO 43 3.819 5.574 -13.239 127 H GLN 44 H GLN 44 0.179 6.980 -12.338 128 HA GLN 44 HA GLN 44 -1.127 9.182 -10.977 129 HB2 GLN 44 HB2 GLN 44 -1.276 8.933 -13.408 130 HB3 GLN 44 HB3 GLN 44 -2.111 7.379 -13.181 131 HG2 GLN 44 HG2 GLN 44 -4.102 8.805 -12.033 132 HG3 GLN 44 HG3 GLN 44 -2.870 10.045 -12.362 133 HE21 GLN 44 HE21 GLN 44 -5.457 10.345 -13.273 134 HE22 GLN 44 HE22 GLN 44 -5.490 10.190 -14.997 135 H GLU 45 H GLU 45 -1.616 5.696 -11.411 136 HA GLU 45 HA GLU 45 -4.031 5.634 -9.892 137 HB2 GLU 45 HB2 GLU 45 -2.169 3.490 -10.870 138 HB3 GLU 45 HB3 GLU 45 -3.635 3.142 -9.920 139 HG2 GLU 45 HG2 GLU 45 -5.038 4.175 -11.755 140 HG3 GLU 45 HG3 GLU 45 -3.494 4.570 -12.542 141 H LEU 46 H LEU 46 -0.633 5.091 -9.183 142 HA LEU 46 HA LEU 46 -1.031 3.642 -6.783 143 HB2 LEU 46 HB2 LEU 46 1.196 5.207 -7.867 144 HB3 LEU 46 HB3 LEU 46 1.462 4.251 -6.391 145 HG LEU 46 HG LEU 46 0.720 3.173 -9.139 146 HD11 LEU 46 HD11 LEU 46 2.998 2.127 -9.053 147 HD12 LEU 46 HD12 LEU 46 3.097 3.901 -8.955 148 HD13 LEU 46 HD13 LEU 46 3.284 2.917 -7.485 149 HD21 LEU 46 HD21 LEU 46 1.009 0.940 -8.124 150 HD22 LEU 46 HD22 LEU 46 1.252 1.712 -6.538 151 HD23 LEU 46 HD23 LEU 46 -0.311 1.868 -7.375 152 H GLU 47 H GLU 47 -1.090 7.002 -7.532 153 HA GLU 47 HA GLU 47 -0.272 8.099 -5.084 154 HB2 GLU 47 HB2 GLU 47 -2.079 9.091 -7.259 155 HB3 GLU 47 HB3 GLU 47 -1.749 10.052 -5.797 156 HG2 GLU 47 HG2 GLU 47 0.682 10.133 -6.384 157 HG3 GLU 47 HG3 GLU 47 0.306 8.973 -7.679 158 H LEU 48 H LEU 48 -3.298 6.705 -6.101 159 HA LEU 48 HA LEU 48 -4.974 7.827 -4.137 160 HB2 LEU 48 HB2 LEU 48 -6.579 6.259 -4.791 161 HB3 LEU 48 HB3 LEU 48 -5.630 6.571 -6.243 162 HG LEU 48 HG LEU 48 -4.333 4.429 -5.531 163 HD11 LEU 48 HD11 LEU 48 -5.866 4.505 -3.352 164 HD12 LEU 48 HD12 LEU 48 -5.268 2.998 -4.044 165 HD13 LEU 48 HD13 LEU 48 -6.912 3.535 -4.389 166 HD21 LEU 48 HD21 LEU 48 -5.613 3.199 -7.019 167 HD22 LEU 48 HD22 LEU 48 -5.983 4.862 -7.476 168 HD23 LEU 48 HD23 LEU 48 -7.124 3.943 -6.494 169 H PHE 49 H PHE 49 -2.756 5.136 -4.081 170 HA PHE 49 HA PHE 49 -3.728 3.869 -1.748 171 HB2 PHE 49 HB2 PHE 49 -2.239 2.677 -3.268 172 HB3 PHE 49 HB3 PHE 49 -0.941 3.851 -2.954 173 HD1 PHE 49 HD1 PHE 49 -2.950 1.122 -1.501 174 HD2 PHE 49 HD2 PHE 49 0.437 3.689 -1.059 175 HE1 PHE 49 HE1 PHE 49 -2.126 -0.287 0.354 176 HE2 PHE 49 HE2 PHE 49 1.265 2.280 0.796 177 HZ PHE 49 HZ PHE 49 -0.018 0.292 1.503 178 H LYS 50 H LYS 50 -0.869 5.963 -2.169 179 HA LYS 50 HA LYS 50 -0.375 6.272 0.589 180 HB2 LYS 50 HB2 LYS 50 1.109 8.076 -0.026 181 HB3 LYS 50 HB3 LYS 50 1.336 6.650 -1.064 182 HG2 LYS 50 HG2 LYS 50 0.078 7.725 -2.863 183 HG3 LYS 50 HG3 LYS 50 -0.236 9.135 -1.823 184 HD2 LYS 50 HD2 LYS 50 2.174 9.593 -1.698 185 HD3 LYS 50 HD3 LYS 50 2.502 8.171 -2.716 186 HE2 LYS 50 HE2 LYS 50 1.210 9.184 -4.547 187 HE3 LYS 50 HE3 LYS 50 0.887 10.607 -3.530 188 HZ1 LYS 50 HZ1 LYS 50 2.718 10.987 -5.037 189 HZ2 LYS 50 HZ2 LYS 50 3.252 11.024 -3.476 190 HZ3 LYS 50 HZ3 LYS 50 3.551 9.704 -4.419 191 H ARG 51 H ARG 51 -2.489 7.931 -1.624 192 HA ARG 51 HA ARG 51 -3.121 10.168 -0.038 193 HB2 ARG 51 HB2 ARG 51 -3.704 10.050 -2.339 194 HB3 ARG 51 HB3 ARG 51 -4.866 8.750 -1.986 195 HG2 ARG 51 HG2 ARG 51 -6.195 10.275 -0.623 196 HG3 ARG 51 HG3 ARG 51 -5.010 11.576 -0.890 197 HD2 ARG 51 HD2 ARG 51 -5.532 11.578 -3.244 198 HD3 ARG 51 HD3 ARG 51 -6.701 10.259 -2.992 199 HE ARG 51 HE ARG 51 -7.540 12.550 -1.408 200 HH11 ARG 51 HH11 ARG 51 -7.279 11.594 -4.751 201 HH12 ARG 51 HH12 ARG 51 -8.629 12.634 -5.161 202 HH21 ARG 51 HH21 ARG 51 -9.083 13.752 -1.863 203 HH22 ARG 51 HH22 ARG 51 -9.658 13.865 -3.515 204 H ALA 52 H ALA 52 -4.566 6.927 -0.199 205 HA ALA 52 HA ALA 52 -6.647 7.498 1.646 206 HB1 ALA 52 HB1 ALA 52 -5.525 4.936 0.551 207 HB2 ALA 52 HB2 ALA 52 -6.843 4.964 1.722 208 HB3 ALA 52 HB3 ALA 52 -7.046 5.732 0.148 209 H MET 53 H MET 53 -3.381 6.277 1.968 210 HA MET 53 HA MET 53 -3.699 5.398 4.677 211 HB2 MET 53 HB2 MET 53 -1.242 5.899 2.991 212 HB3 MET 53 HB3 MET 53 -1.193 5.244 4.623 213 HG2 MET 53 HG2 MET 53 -2.631 3.975 2.304 214 HG3 MET 53 HG3 MET 53 -1.022 3.526 2.865 215 HE1 MET 53 HE1 MET 53 -2.671 1.387 2.445 216 HE2 MET 53 HE2 MET 53 -1.582 0.808 3.704 217 HE3 MET 53 HE3 MET 53 -3.320 0.547 3.853 218 H GLY 54 H GLY 54 -3.255 8.417 3.184 219 HA2 GLY 54 HA2 GLY 54 -3.020 10.527 4.073 220 HA3 GLY 54 HA3 GLY 54 -3.192 9.807 5.666 221 H ILE 55 H ILE 55 -0.721 9.081 3.239 222 HA ILE 55 HA ILE 55 1.272 9.032 5.273 223 HB ILE 55 HB ILE 55 1.501 8.808 2.259 224 HG12 ILE 55 HG12 ILE 55 1.736 6.717 4.404 225 HG13 ILE 55 HG13 ILE 55 0.254 7.061 3.482 226 HG21 ILE 55 HG21 ILE 55 3.789 7.974 2.683 227 HG22 ILE 55 HG22 ILE 55 3.609 9.657 3.231 228 HG23 ILE 55 HG23 ILE 55 3.598 8.329 4.416 229 HD11 ILE 55 HD11 ILE 55 1.454 5.123 2.546 230 HD12 ILE 55 HD12 ILE 55 1.419 6.476 1.391 231 HD13 ILE 55 HD13 ILE 55 2.900 6.131 2.314 232 H THR 56 H THR 56 2.686 10.549 5.895 233 HA THR 56 HA THR 56 2.361 13.203 4.699 234 HB THR 56 HB THR 56 3.246 14.126 6.749 235 HG1 THR 56 HG1 THR 56 3.783 11.396 7.393 236 HG21 THR 56 HG21 THR 56 1.587 13.279 8.372 237 HG22 THR 56 HG22 THR 56 0.861 13.476 6.759 238 HG23 THR 56 HG23 THR 56 1.306 11.855 7.343 239 HA PRO 57 HA PRO 57 6.426 13.559 3.014 240 HB2 PRO 57 HB2 PRO 57 7.204 16.042 3.930 241 HB3 PRO 57 HB3 PRO 57 6.124 15.780 2.554 242 HG2 PRO 57 HG2 PRO 57 5.418 16.374 5.448 243 HG3 PRO 57 HG3 PRO 57 4.745 17.081 3.973 244 HD2 PRO 57 HD2 PRO 57 3.379 15.141 5.260 245 HD3 PRO 57 HD3 PRO 57 3.416 15.145 3.493 246 H HIS 58 H HIS 58 5.907 13.813 6.435 247 HA HIS 58 HA HIS 58 8.640 13.707 7.231 248 HB2 HIS 58 HB2 HIS 58 6.967 14.506 8.815 249 HB3 HIS 58 HB3 HIS 58 6.121 12.941 8.751 250 HD1 HIS 58 HD1 HIS 58 9.464 14.400 9.840 251 HD2 HIS 58 HD2 HIS 58 6.954 11.140 10.753 252 HE1 HIS 58 HE1 HIS 58 10.521 13.239 11.713 253 H ASN 59 H ASN 59 6.088 11.233 6.991 254 HA ASN 59 HA ASN 59 8.168 9.164 7.168 255 HB2 ASN 59 HB2 ASN 59 6.402 7.601 8.047 256 HB3 ASN 59 HB3 ASN 59 6.504 9.261 8.683 257 HD21 ASN 59 HD21 ASN 59 4.292 7.539 8.952 258 HD22 ASN 59 HD22 ASN 59 2.954 8.250 8.113 259 H TYR 60 H TYR 60 7.287 10.819 4.784 260 HA TYR 60 HA TYR 60 5.893 9.174 2.974 261 HB2 TYR 60 HB2 TYR 60 6.211 11.592 2.697 262 HB3 TYR 60 HB3 TYR 60 7.941 11.304 2.382 263 HD1 TYR 60 HD1 TYR 60 4.514 10.694 1.067 264 HD2 TYR 60 HD2 TYR 60 8.693 10.656 0.219 265 HE1 TYR 60 HE1 TYR 60 4.016 10.365 -1.338 266 HE2 TYR 60 HE2 TYR 60 8.214 10.328 -2.183 267 HH TYR 60 HH TYR 60 6.604 10.101 -3.778 268 H TRP 61 H TRP 61 9.393 9.802 3.253 269 HA TRP 61 HA TRP 61 10.187 7.856 1.382 270 HB2 TRP 61 HB2 TRP 61 12.442 8.139 2.274 271 HB3 TRP 61 HB3 TRP 61 11.645 9.729 2.203 272 HD1 TRP 61 HD1 TRP 61 11.097 10.869 4.362 273 HE1 TRP 61 HE1 TRP 61 11.969 10.581 6.905 274 HE3 TRP 61 HE3 TRP 61 13.177 6.254 3.905 275 HZ2 TRP 61 HZ2 TRP 61 13.310 8.618 8.312 276 HZ3 TRP 61 HZ3 TRP 61 14.231 5.203 5.810 277 HH2 TRP 61 HH2 TRP 61 14.326 6.310 8.002 278 H GLN 62 H GLN 62 9.392 7.667 4.776 279 HA GLN 62 HA GLN 62 10.530 5.139 5.312 280 HB2 GLN 62 HB2 GLN 62 8.232 6.623 6.564 281 HB3 GLN 62 HB3 GLN 62 8.841 5.066 7.173 282 HG2 GLN 62 HG2 GLN 62 11.191 6.356 7.590 283 HG3 GLN 62 HG3 GLN 62 10.172 7.610 6.846 284 HE21 GLN 62 HE21 GLN 62 11.474 7.911 9.326 285 HE22 GLN 62 HE22 GLN 62 10.271 8.022 10.568 286 H TRP 63 H TRP 63 7.251 6.107 4.342 287 HA TRP 63 HA TRP 63 6.277 3.441 4.103 288 HB2 TRP 63 HB2 TRP 63 5.309 6.154 3.357 289 HB3 TRP 63 HB3 TRP 63 4.593 4.783 2.514 290 HD1 TRP 63 HD1 TRP 63 4.833 6.363 5.993 291 HE1 TRP 63 HE1 TRP 63 2.984 5.363 7.478 292 HE3 TRP 63 HE3 TRP 63 3.132 2.725 2.829 293 HZ2 TRP 63 HZ2 TRP 63 1.059 3.303 7.327 294 HZ3 TRP 63 HZ3 TRP 63 1.285 1.283 3.577 295 HH2 TRP 63 HH2 TRP 63 0.271 1.566 5.780 296 H ALA 64 H ALA 64 7.749 5.738 1.870 297 HA ALA 64 HA ALA 64 7.311 4.385 -0.529 298 HB1 ALA 64 HB1 ALA 64 8.140 6.537 -0.770 299 HB2 ALA 64 HB2 ALA 64 9.436 6.278 0.397 300 HB3 ALA 64 HB3 ALA 64 9.527 5.536 -1.200 301 H SER 65 H SER 65 9.563 3.759 2.051 302 HA SER 65 HA SER 65 11.198 1.927 0.579 303 HB2 SER 65 HB2 SER 65 12.079 3.088 2.510 304 HB3 SER 65 HB3 SER 65 10.855 2.323 3.548 305 HG SER 65 HG SER 65 12.882 1.262 3.635 306 H ARG 66 H ARG 66 8.689 1.515 3.078 307 HA ARG 66 HA ARG 66 8.769 -1.301 3.058 308 HB2 ARG 66 HB2 ARG 66 6.982 -1.356 4.451 309 HB3 ARG 66 HB3 ARG 66 7.913 0.098 4.880 310 HG2 ARG 66 HG2 ARG 66 6.298 1.518 3.764 311 HG3 ARG 66 HG3 ARG 66 5.405 0.095 3.175 312 HD2 ARG 66 HD2 ARG 66 4.199 0.998 4.962 313 HD3 ARG 66 HD3 ARG 66 4.974 -0.493 5.547 314 HE ARG 66 HE ARG 66 6.581 1.791 6.379 315 HH11 ARG 66 HH11 ARG 66 3.508 0.298 7.075 316 HH12 ARG 66 HH12 ARG 66 3.585 0.893 8.722 317 HH21 ARG 66 HH21 ARG 66 6.681 2.487 8.259 318 HH22 ARG 66 HH22 ARG 66 5.394 2.142 9.398 319 H THR 67 H THR 67 7.224 0.988 0.990 320 HA THR 67 HA THR 67 5.292 -0.982 0.017 321 HB THR 67 HB THR 67 4.260 0.891 -1.218 322 HG1 THR 67 HG1 THR 67 6.323 2.431 0.030 323 HG21 THR 67 HG21 THR 67 3.478 2.166 0.747 324 HG22 THR 67 HG22 THR 67 3.551 0.423 1.102 325 HG23 THR 67 HG23 THR 67 4.823 1.509 1.710 326 H ASN 68 H ASN 68 8.384 -0.294 -0.631 327 HA ASN 68 HA ASN 68 9.780 -0.493 -2.419 328 HB2 ASN 68 HB2 ASN 68 8.431 -2.871 -2.551 329 HB3 ASN 68 HB3 ASN 68 7.651 -1.800 -3.741 330 HD21 ASN 68 HD21 ASN 68 8.421 -3.867 -4.925 331 HD22 ASN 68 HD22 ASN 68 9.941 -3.714 -5.740 332 H ASN 69 H ASN 69 8.970 1.902 -2.584 333 HA ASN 69 HA ASN 69 8.589 3.682 -3.950 334 HB2 ASN 69 HB2 ASN 69 9.904 2.032 -5.776 335 HB3 ASN 69 HB3 ASN 69 8.162 1.995 -6.144 336 HD21 ASN 69 HD21 ASN 69 8.973 2.837 -8.205 337 HD22 ASN 69 HD22 ASN 69 9.159 4.551 -8.374 338 H PHE 70 H PHE 70 6.413 2.361 -2.686 339 HA PHE 70 HA PHE 70 4.143 2.163 -2.702 340 HB2 PHE 70 HB2 PHE 70 4.397 4.402 -4.741 341 HB3 PHE 70 HB3 PHE 70 2.906 3.956 -3.881 342 HD1 PHE 70 HD1 PHE 70 2.966 4.054 -1.321 343 HD2 PHE 70 HD2 PHE 70 5.820 5.968 -3.859 344 HE1 PHE 70 HE1 PHE 70 3.558 5.601 0.514 345 HE2 PHE 70 HE2 PHE 70 6.416 7.515 -2.025 346 HZ PHE 70 HZ PHE 70 5.285 7.331 0.161 347 H LYS 71 H LYS 71 5.577 0.393 -4.442 348 HA LYS 71 HA LYS 71 3.775 0.092 -6.733 349 HB2 LYS 71 HB2 LYS 71 6.340 -1.303 -6.003 350 HB3 LYS 71 HB3 LYS 71 5.343 -1.706 -7.421 351 HG2 LYS 71 HG2 LYS 71 6.398 1.090 -6.985 352 HG3 LYS 71 HG3 LYS 71 7.401 -0.163 -7.752 353 HD2 LYS 71 HD2 LYS 71 5.763 -0.479 -9.507 354 HD3 LYS 71 HD3 LYS 71 4.629 0.629 -8.699 355 HE2 LYS 71 HE2 LYS 71 6.112 2.501 -9.055 356 HE3 LYS 71 HE3 LYS 71 7.375 1.429 -9.704 357 HZ1 LYS 71 HZ1 LYS 71 6.172 2.546 -11.456 358 HZ2 LYS 71 HZ2 LYS 71 5.910 0.919 -11.538 359 HZ3 LYS 71 HZ3 LYS 71 4.739 1.913 -10.937 360 H LEU 72 H LEU 72 1.912 -0.800 -6.001 361 HA LEU 72 HA LEU 72 2.127 -3.380 -4.601 362 HB2 LEU 72 HB2 LEU 72 0.037 -1.269 -4.090 363 HB3 LEU 72 HB3 LEU 72 0.174 -2.829 -3.279 364 HG LEU 72 HG LEU 72 2.558 -1.838 -2.628 365 HD11 LEU 72 HD11 LEU 72 2.748 0.421 -2.563 366 HD12 LEU 72 HD12 LEU 72 1.011 0.676 -2.400 367 HD13 LEU 72 HD13 LEU 72 1.699 0.291 -3.976 368 HD21 LEU 72 HD21 LEU 72 -0.023 -1.110 -1.245 369 HD22 LEU 72 HD22 LEU 72 1.578 -1.143 -0.508 370 HD23 LEU 72 HD23 LEU 72 0.839 -2.639 -1.081 371 H LEU 73 H LEU 73 1.008 -5.000 -5.492 372 HA LEU 73 HA LEU 73 -0.612 -4.375 -7.846 373 HB2 LEU 73 HB2 LEU 73 0.587 -6.835 -6.794 374 HB3 LEU 73 HB3 LEU 73 -0.344 -6.894 -8.308 375 HG LEU 73 HG LEU 73 2.188 -5.268 -7.864 376 HD11 LEU 73 HD11 LEU 73 3.267 -6.950 -9.381 377 HD12 LEU 73 HD12 LEU 73 2.648 -7.718 -7.902 378 HD13 LEU 73 HD13 LEU 73 1.742 -7.865 -9.426 379 HD21 LEU 73 HD21 LEU 73 2.120 -4.938 -10.312 380 HD22 LEU 73 HD22 LEU 73 0.570 -5.811 -10.369 381 HD23 LEU 73 HD23 LEU 73 0.691 -4.269 -9.489 382 H THR 74 H THR 74 -2.679 -5.239 -8.167 383 HA THR 74 HA THR 74 -3.913 -7.036 -6.352 384 HB THR 74 HB THR 74 -3.959 -4.981 -4.933 385 HG1 THR 74 HG1 THR 74 -6.195 -5.222 -4.460 386 HG21 THR 74 HG21 THR 74 -5.508 -3.165 -5.570 387 HG22 THR 74 HG22 THR 74 -4.185 -3.322 -6.751 388 HG23 THR 74 HG23 THR 74 -5.800 -3.962 -7.134 389 H ASP 75 H ASP 75 -6.319 -7.226 -6.819 390 HA ASP 75 HA ASP 75 -7.221 -6.008 -9.293 391 HB2 ASP 75 HB2 ASP 75 -6.004 -8.199 -9.975 392 HB3 ASP 75 HB3 ASP 75 -7.244 -8.923 -8.923 393 H GLY 76 H GLY 76 -8.662 -5.020 -7.755 394 HA2 GLY 76 HA2 GLY 76 -10.702 -4.814 -6.722 395 HA3 GLY 76 HA3 GLY 76 -11.174 -6.271 -7.583 396 H GLU 77 H GLU 77 -8.475 -6.210 -5.361 397 HA GLU 77 HA GLU 77 -10.006 -7.612 -3.321 398 HB2 GLU 77 HB2 GLU 77 -8.608 -9.572 -3.339 399 HB3 GLU 77 HB3 GLU 77 -9.450 -9.359 -4.894 400 HG2 GLU 77 HG2 GLU 77 -7.261 -8.397 -5.846 401 HG3 GLU 77 HG3 GLU 77 -6.600 -8.755 -4.233 402 H TRP 78 H TRP 78 -8.055 -8.613 -1.764 403 HA TRP 78 HA TRP 78 -6.868 -6.510 -0.431 404 HB2 TRP 78 HB2 TRP 78 -5.426 -8.173 0.663 405 HB3 TRP 78 HB3 TRP 78 -7.071 -8.825 0.480 406 HD1 TRP 78 HD1 TRP 78 -7.403 -10.495 -1.518 407 HE1 TRP 78 HE1 TRP 78 -5.751 -12.404 -2.485 408 HE3 TRP 78 HE3 TRP 78 -3.024 -8.670 0.308 409 HZ2 TRP 78 HZ2 TRP 78 -3.032 -12.886 -2.386 410 HZ3 TRP 78 HZ3 TRP 78 -0.951 -9.835 -0.121 411 HH2 TRP 78 HH2 TRP 78 -0.887 -11.908 -1.438 412 H VAL 79 H VAL 79 -4.893 -5.490 -0.491 413 HA VAL 79 HA VAL 79 -3.504 -5.711 -3.068 414 HB VAL 79 HB VAL 79 -3.466 -3.434 -1.062 415 HG11 VAL 79 HG11 VAL 79 -2.364 -2.178 -2.885 416 HG12 VAL 79 HG12 VAL 79 -1.392 -3.588 -2.399 417 HG13 VAL 79 HG13 VAL 79 -2.360 -3.645 -3.893 418 HG21 VAL 79 HG21 VAL 79 -4.824 -2.235 -2.703 419 HG22 VAL 79 HG22 VAL 79 -4.908 -3.704 -3.704 420 HG23 VAL 79 HG23 VAL 79 -5.647 -3.686 -2.086 421 H TRP 80 H TRP 80 -1.294 -5.934 -3.211 422 HA TRP 80 HA TRP 80 0.212 -6.211 -0.705 423 HB2 TRP 80 HB2 TRP 80 1.341 -8.239 -1.548 424 HB3 TRP 80 HB3 TRP 80 -0.418 -8.492 -1.454 425 HD1 TRP 80 HD1 TRP 80 2.417 -8.289 -3.778 426 HE1 TRP 80 HE1 TRP 80 1.646 -9.089 -6.243 427 HE3 TRP 80 HE3 TRP 80 -2.592 -8.512 -2.943 428 HZ2 TRP 80 HZ2 TRP 80 -0.767 -9.677 -7.454 429 HZ3 TRP 80 HZ3 TRP 80 -4.091 -9.177 -4.720 430 HH2 TRP 80 HH2 TRP 80 -3.257 -9.765 -6.955 431 H VAL 81 H VAL 81 2.508 -5.933 -0.931 432 HA VAL 81 HA VAL 81 3.192 -4.023 -2.993 433 HB VAL 81 HB VAL 81 4.871 -5.122 -0.719 434 HG11 VAL 81 HG11 VAL 81 6.344 -3.193 -1.190 435 HG12 VAL 81 HG12 VAL 81 6.243 -4.280 -2.595 436 HG13 VAL 81 HG13 VAL 81 5.325 -2.755 -2.581 437 HG21 VAL 81 HG21 VAL 81 4.436 -2.971 0.357 438 HG22 VAL 81 HG22 VAL 81 3.347 -2.525 -0.980 439 HG23 VAL 81 HG23 VAL 81 2.941 -3.896 0.082 440 H GLU 82 H GLU 82 4.389 -4.386 -4.762 441 HA GLU 82 HA GLU 82 4.805 -6.941 -5.768 442 HB2 GLU 82 HB2 GLU 82 4.705 -4.919 -7.129 443 HB3 GLU 82 HB3 GLU 82 6.284 -4.416 -6.476 444 HG2 GLU 82 HG2 GLU 82 7.310 -6.502 -7.561 445 HG3 GLU 82 HG3 GLU 82 5.660 -6.814 -8.147 446 H GLY 83 H GLY 83 6.261 -8.473 -5.373 447 HA2 GLY 83 HA2 GLY 83 8.481 -9.268 -5.099 448 HA3 GLY 83 HA3 GLY 83 8.931 -7.706 -4.433 449 H TYR 84 H TYR 84 6.207 -8.137 -2.878 450 HA TYR 84 HA TYR 84 7.475 -9.657 -0.696 451 HB2 TYR 84 HB2 TYR 84 5.546 -7.344 -0.575 452 HB3 TYR 84 HB3 TYR 84 6.049 -8.313 0.832 453 HD1 TYR 84 HD1 TYR 84 8.352 -8.156 1.687 454 HD2 TYR 84 HD2 TYR 84 7.052 -5.725 -1.566 455 HE1 TYR 84 HE1 TYR 84 10.335 -6.712 1.989 456 HE2 TYR 84 HE2 TYR 84 9.034 -4.267 -1.278 457 HH TYR 84 HH TYR 84 10.938 -3.877 -0.101 458 H GLU 85 H GLU 85 5.221 -9.993 -2.998 459 HA GLU 85 HA GLU 85 3.079 -11.239 -1.665 460 HB2 GLU 85 HB2 GLU 85 2.581 -12.325 -3.724 461 HB3 GLU 85 HB3 GLU 85 3.068 -10.642 -4.038 462 HG2 GLU 85 HG2 GLU 85 5.137 -12.872 -4.306 463 HG3 GLU 85 HG3 GLU 85 3.881 -12.558 -5.526 464 H GLU 86 H GLU 86 6.356 -12.151 -2.019 465 HA GLU 86 HA GLU 86 5.935 -14.927 -1.361 466 HB2 GLU 86 HB2 GLU 86 8.305 -15.090 -1.152 467 HB3 GLU 86 HB3 GLU 86 7.887 -14.194 -2.631 468 HG2 GLU 86 HG2 GLU 86 8.411 -12.021 -1.338 469 HG3 GLU 86 HG3 GLU 86 8.872 -13.125 -0.022 470 H HIS 87 H HIS 87 5.861 -12.010 0.331 471 HA HIS 87 HA HIS 87 6.504 -13.326 2.882 472 HB2 HIS 87 HB2 HIS 87 6.452 -10.368 2.183 473 HB3 HIS 87 HB3 HIS 87 6.761 -11.020 3.809 474 HD1 HIS 87 HD1 HIS 87 8.926 -12.696 3.919 475 HD2 HIS 87 HD2 HIS 87 8.785 -10.064 0.631 476 HE1 HIS 87 HE1 HIS 87 11.222 -12.513 3.104 477 H ILE 88 H ILE 88 3.966 -13.548 1.402 478 HA ILE 88 HA ILE 88 2.117 -12.075 3.132 479 HB ILE 88 HB ILE 88 1.559 -13.695 0.628 480 HG12 ILE 88 HG12 ILE 88 2.807 -11.715 0.154 481 HG13 ILE 88 HG13 ILE 88 1.130 -11.572 -0.423 482 HG21 ILE 88 HG21 ILE 88 -0.698 -12.697 0.768 483 HG22 ILE 88 HG22 ILE 88 -0.349 -13.693 2.200 484 HG23 ILE 88 HG23 ILE 88 -0.259 -11.920 2.308 485 HD11 ILE 88 HD11 ILE 88 1.908 -9.462 0.582 486 HD12 ILE 88 HD12 ILE 88 0.577 -10.171 1.528 487 HD13 ILE 88 HD13 ILE 88 2.255 -10.313 2.104 488 H GLY 89 H GLY 89 0.699 -13.063 4.509 489 HA2 GLY 89 HA2 GLY 89 -0.420 -14.842 5.543 490 HA3 GLY 89 HA3 GLY 89 0.504 -15.966 4.557 491 H LYS 90 H LYS 90 2.419 -13.588 6.027 492 HA LYS 90 HA LYS 90 3.329 -15.556 8.013 493 HB2 LYS 90 HB2 LYS 90 4.764 -13.209 6.791 494 HB3 LYS 90 HB3 LYS 90 5.431 -14.273 8.051 495 HG2 LYS 90 HG2 LYS 90 5.418 -16.164 6.555 496 HG3 LYS 90 HG3 LYS 90 4.545 -15.234 5.314 497 HD2 LYS 90 HD2 LYS 90 6.435 -13.786 4.965 498 HD3 LYS 90 HD3 LYS 90 7.292 -14.486 6.358 499 HE2 LYS 90 HE2 LYS 90 7.316 -16.680 5.186 500 HE3 LYS 90 HE3 LYS 90 6.570 -15.899 3.772 501 HZ1 LYS 90 HZ1 LYS 90 8.955 -16.064 3.543 502 HZ2 LYS 90 HZ2 LYS 90 8.503 -14.479 3.620 503 HZ3 LYS 90 HZ3 LYS 90 9.193 -15.205 4.931 504 H GLN 91 H GLN 91 4.086 -14.727 10.093 505 HA GLN 91 HA GLN 91 2.225 -12.782 11.146 506 HB2 GLN 91 HB2 GLN 91 2.823 -14.920 12.291 507 HB3 GLN 91 HB3 GLN 91 4.439 -14.233 12.579 508 HG2 GLN 91 HG2 GLN 91 3.155 -12.320 14.025 509 HG3 GLN 91 HG3 GLN 91 1.827 -13.342 13.429 510 HE21 GLN 91 HE21 GLN 91 2.276 -12.765 16.154 511 HE22 GLN 91 HE22 GLN 91 2.709 -14.237 16.960 512 H LEU 92 H LEU 92 2.967 -10.871 10.127 513 HA LEU 92 HA LEU 92 5.537 -9.863 11.160 514 HB2 LEU 92 HB2 LEU 92 4.088 -9.276 8.678 515 HB3 LEU 92 HB3 LEU 92 5.587 -8.401 9.064 516 HG LEU 92 HG LEU 92 5.314 -11.384 8.525 517 HD11 LEU 92 HD11 LEU 92 6.713 -10.876 6.506 518 HD12 LEU 92 HD12 LEU 92 5.181 -9.972 6.475 519 HD13 LEU 92 HD13 LEU 92 6.689 -9.151 6.944 520 HD21 LEU 92 HD21 LEU 92 7.777 -11.444 8.691 521 HD22 LEU 92 HD22 LEU 92 7.769 -9.730 9.175 522 HD23 LEU 92 HD23 LEU 92 6.999 -10.952 10.214 523 HA PRO 93 HA PRO 93 3.257 -6.564 13.087 524 HB2 PRO 93 HB2 PRO 93 5.283 -4.786 13.422 525 HB3 PRO 93 HB3 PRO 93 5.102 -6.229 14.428 526 HG2 PRO 93 HG2 PRO 93 6.882 -5.807 12.003 527 HG3 PRO 93 HG3 PRO 93 7.287 -6.537 13.563 528 HD2 PRO 93 HD2 PRO 93 6.696 -8.090 11.391 529 HD3 PRO 93 HD3 PRO 93 6.237 -8.600 13.021 530 H LEU 94 H LEU 94 3.063 -4.105 12.761 531 HA LEU 94 HA LEU 94 2.180 -3.615 10.137 532 HB2 LEU 94 HB2 LEU 94 2.795 -1.906 12.432 533 HB3 LEU 94 HB3 LEU 94 2.052 -1.152 11.003 534 HG LEU 94 HG LEU 94 0.829 -3.347 12.720 535 HD11 LEU 94 HD11 LEU 94 -0.828 -1.573 13.354 536 HD12 LEU 94 HD12 LEU 94 0.824 -1.111 13.823 537 HD13 LEU 94 HD13 LEU 94 0.078 -0.398 12.374 538 HD21 LEU 94 HD21 LEU 94 -1.196 -3.008 11.345 539 HD22 LEU 94 HD22 LEU 94 -0.290 -1.863 10.325 540 HD23 LEU 94 HD23 LEU 94 0.195 -3.574 10.390 541 H ASN 95 H ASN 95 5.211 -2.966 11.757 542 HA ASN 95 HA ASN 95 6.281 -1.197 9.815 543 HB2 ASN 95 HB2 ASN 95 7.875 -2.854 11.898 544 HB3 ASN 95 HB3 ASN 95 8.310 -1.757 10.565 545 HD21 ASN 95 HD21 ASN 95 8.640 -1.586 13.513 546 HD22 ASN 95 HD22 ASN 95 7.936 -0.068 13.959 547 H GLN 96 H GLN 96 6.072 -4.667 10.068 548 HA GLN 96 HA GLN 96 7.842 -4.986 7.748 549 HB2 GLN 96 HB2 GLN 96 6.754 -7.033 9.675 550 HB3 GLN 96 HB3 GLN 96 7.840 -7.376 8.308 551 HG2 GLN 96 HG2 GLN 96 8.715 -5.802 10.883 552 HG3 GLN 96 HG3 GLN 96 8.951 -7.426 10.196 553 HE21 GLN 96 HE21 GLN 96 10.202 -4.317 10.463 554 HE22 GLN 96 HE22 GLN 96 11.346 -4.374 9.164 555 H ALA 97 H ALA 97 4.599 -4.779 8.528 556 HA ALA 97 HA ALA 97 3.379 -6.692 6.905 557 HB1 ALA 97 HB1 ALA 97 1.425 -5.237 6.925 558 HB2 ALA 97 HB2 ALA 97 2.160 -5.325 8.525 559 HB3 ALA 97 HB3 ALA 97 2.413 -3.901 7.517 560 H ARG 98 H ARG 98 2.865 -6.801 4.767 561 HA ARG 98 HA ARG 98 3.737 -4.605 3.026 562 HB2 ARG 98 HB2 ARG 98 4.556 -7.437 2.645 563 HB3 ARG 98 HB3 ARG 98 4.758 -6.122 1.463 564 HG2 ARG 98 HG2 ARG 98 5.947 -6.066 4.249 565 HG3 ARG 98 HG3 ARG 98 6.810 -6.702 2.828 566 HD2 ARG 98 HD2 ARG 98 6.563 -4.510 1.759 567 HD3 ARG 98 HD3 ARG 98 5.827 -3.901 3.260 568 HE ARG 98 HE ARG 98 8.747 -4.358 2.902 569 HH11 ARG 98 HH11 ARG 98 6.156 -3.818 5.173 570 HH12 ARG 98 HH12 ARG 98 7.317 -3.316 6.387 571 HH21 ARG 98 HH21 ARG 98 10.088 -3.777 4.278 572 HH22 ARG 98 HH22 ARG 98 9.559 -3.291 5.878 573 H ALA 99 H ALA 99 1.107 -5.561 3.898 574 HA ALA 99 HA ALA 99 -0.141 -5.544 1.319 575 HB1 ALA 99 HB1 ALA 99 -1.487 -7.696 1.993 576 HB2 ALA 99 HB2 ALA 99 0.058 -7.821 1.150 577 HB3 ALA 99 HB3 ALA 99 -0.018 -8.070 2.895 578 H TRP 100 H TRP 100 -2.187 -4.739 1.418 579 HA TRP 100 HA TRP 100 -3.602 -4.795 3.979 580 HB2 TRP 100 HB2 TRP 100 -3.283 -2.249 2.345 581 HB3 TRP 100 HB3 TRP 100 -4.174 -2.424 3.875 582 HD1 TRP 100 HD1 TRP 100 -2.931 -2.183 5.952 583 HE1 TRP 100 HE1 TRP 100 -0.377 -1.632 6.646 584 HE3 TRP 100 HE3 TRP 100 -0.786 -2.783 1.383 585 HZ2 TRP 100 HZ2 TRP 100 2.043 -1.525 5.315 586 HZ3 TRP 100 HZ3 TRP 100 1.594 -2.460 1.107 587 HH2 TRP 100 HH2 TRP 100 3.038 -1.845 2.998 588 H SER 101 H SER 101 -5.907 -4.332 3.772 589 HA SER 101 HA SER 101 -6.948 -5.461 1.307 590 HB2 SER 101 HB2 SER 101 -9.044 -5.661 2.476 591 HB3 SER 101 HB3 SER 101 -7.722 -6.283 3.491 592 HG SER 101 HG SER 101 -9.172 -4.941 4.647 593 H TRP 102 H TRP 102 -8.512 -4.471 -0.011 594 HA TRP 102 HA TRP 102 -8.553 -1.726 -0.413 595 HB2 TRP 102 HB2 TRP 102 -10.278 -4.001 -1.186 596 HB3 TRP 102 HB3 TRP 102 -11.037 -2.412 -1.250 597 HD1 TRP 102 HD1 TRP 102 -9.508 -4.635 -3.534 598 HE1 TRP 102 HE1 TRP 102 -8.347 -3.431 -5.489 599 HE3 TRP 102 HE3 TRP 102 -9.230 0.065 -1.541 600 HZ2 TRP 102 HZ2 TRP 102 -7.432 -0.832 -6.106 601 HZ3 TRP 102 HZ3 TRP 102 -8.197 1.854 -2.879 602 HH2 TRP 102 HH2 TRP 102 -7.317 1.411 -5.114 603 H GLU 103 H GLU 103 -10.301 -3.681 1.890 604 HA GLU 103 HA GLU 103 -12.236 -1.721 2.603 605 HB2 GLU 103 HB2 GLU 103 -11.199 -4.150 4.040 606 HB3 GLU 103 HB3 GLU 103 -12.512 -3.119 4.660 607 HG2 GLU 103 HG2 GLU 103 -12.603 -4.784 2.072 608 HG3 GLU 103 HG3 GLU 103 -13.399 -5.048 3.641 609 H PHE 104 H PHE 104 -9.067 -2.625 3.886 610 HA PHE 104 HA PHE 104 -9.065 -0.755 6.020 611 HB2 PHE 104 HB2 PHE 104 -7.531 -2.672 6.016 612 HB3 PHE 104 HB3 PHE 104 -6.719 -2.028 4.570 613 HD1 PHE 104 HD1 PHE 104 -7.445 -1.322 8.139 614 HD2 PHE 104 HD2 PHE 104 -4.977 -0.518 4.745 615 HE1 PHE 104 HE1 PHE 104 -5.876 -0.068 9.579 616 HE2 PHE 104 HE2 PHE 104 -3.404 0.736 6.184 617 HZ PHE 104 HZ PHE 104 -3.856 0.962 8.601 618 H ILE 105 H ILE 105 -7.881 -0.639 2.688 619 HA ILE 105 HA ILE 105 -6.685 1.879 2.738 620 HB ILE 105 HB ILE 105 -8.083 0.405 0.495 621 HG12 ILE 105 HG12 ILE 105 -5.171 0.965 0.968 622 HG13 ILE 105 HG13 ILE 105 -6.011 -0.512 1.497 623 HG21 ILE 105 HG21 ILE 105 -7.040 2.042 -1.036 624 HG22 ILE 105 HG22 ILE 105 -8.196 2.836 0.059 625 HG23 ILE 105 HG23 ILE 105 -6.448 2.971 0.361 626 HD11 ILE 105 HD11 ILE 105 -4.811 -0.881 -0.623 627 HD12 ILE 105 HD12 ILE 105 -6.570 -1.032 -0.846 628 HD13 ILE 105 HD13 ILE 105 -5.729 0.444 -1.375 629 H LYS 106 H LYS 106 -10.045 1.000 1.971 630 HA LYS 106 HA LYS 106 -10.952 3.673 1.678 631 HB2 LYS 106 HB2 LYS 106 -12.405 1.108 2.262 632 HB3 LYS 106 HB3 LYS 106 -13.220 2.669 2.003 633 HG2 LYS 106 HG2 LYS 106 -12.211 2.789 -0.262 634 HG3 LYS 106 HG3 LYS 106 -11.480 1.188 0.002 635 HD2 LYS 106 HD2 LYS 106 -14.458 1.782 0.075 636 HD3 LYS 106 HD3 LYS 106 -13.591 1.097 -1.320 637 HE2 LYS 106 HE2 LYS 106 -12.861 -0.797 0.131 638 HE3 LYS 106 HE3 LYS 106 -13.875 -0.137 1.436 639 HZ1 LYS 106 HZ1 LYS 106 -15.011 -1.864 0.213 640 HZ2 LYS 106 HZ2 LYS 106 -15.786 -0.422 0.007 641 HZ3 LYS 106 HZ3 LYS 106 -14.845 -1.034 -1.203 642 H ASN 107 H ASN 107 -10.603 1.512 4.407 643 HA ASN 107 HA ASN 107 -12.217 2.773 6.282 644 HB2 ASN 107 HB2 ASN 107 -10.857 0.504 6.711 645 HB3 ASN 107 HB3 ASN 107 -9.599 1.763 6.737 646 HD21 ASN 107 HD21 ASN 107 -8.909 1.966 8.717 647 HD22 ASN 107 HD22 ASN 107 -9.892 2.110 10.136 648 H ARG 108 H ARG 108 -8.772 3.359 5.589 649 HA ARG 108 HA ARG 108 -8.609 5.626 7.317 650 HB2 ARG 108 HB2 ARG 108 -6.769 4.574 5.246 651 HB3 ARG 108 HB3 ARG 108 -6.478 6.089 6.132 652 HG2 ARG 108 HG2 ARG 108 -6.535 4.842 8.260 653 HG3 ARG 108 HG3 ARG 108 -6.790 3.330 7.357 654 HD2 ARG 108 HD2 ARG 108 -4.537 3.413 7.977 655 HD3 ARG 108 HD3 ARG 108 -4.619 3.748 6.231 656 HE ARG 108 HE ARG 108 -3.605 5.923 6.740 657 HH11 ARG 108 HH11 ARG 108 -4.962 4.606 9.669 658 HH12 ARG 108 HH12 ARG 108 -4.207 5.885 10.601 659 HH21 ARG 108 HH21 ARG 108 -2.742 7.399 7.791 660 HH22 ARG 108 HH22 ARG 108 -2.943 7.479 9.530 661 H LEU 109 H LEU 109 -9.194 5.151 3.880 662 HA LEU 109 HA LEU 109 -8.930 7.845 3.088 663 HB2 LEU 109 HB2 LEU 109 -8.793 6.088 1.630 664 HB3 LEU 109 HB3 LEU 109 -10.480 5.551 1.800 665 HG LEU 109 HG LEU 109 -11.217 7.759 0.880 666 HD11 LEU 109 HD11 LEU 109 -9.506 9.148 -0.319 667 HD12 LEU 109 HD12 LEU 109 -9.151 9.046 1.422 668 HD13 LEU 109 HD13 LEU 109 -8.230 8.054 0.265 669 HD21 LEU 109 HD21 LEU 109 -10.646 7.250 -1.470 670 HD22 LEU 109 HD22 LEU 109 -9.396 6.116 -0.902 671 HD23 LEU 109 HD23 LEU 109 -11.111 5.801 -0.547 672 H LYS 110 H LYS 110 -11.696 5.947 4.196 673 HA LYS 110 HA LYS 110 -13.651 7.957 3.840 674 HB2 LYS 110 HB2 LYS 110 -13.488 5.556 5.632 675 HB3 LYS 110 HB3 LYS 110 -14.889 6.654 5.632 676 HG2 LYS 110 HG2 LYS 110 -15.280 6.174 3.256 677 HG3 LYS 110 HG3 LYS 110 -13.866 5.094 3.235 678 HD2 LYS 110 HD2 LYS 110 -14.942 3.645 4.908 679 HD3 LYS 110 HD3 LYS 110 -16.354 4.727 4.938 680 HE2 LYS 110 HE2 LYS 110 -16.735 4.277 2.542 681 HE3 LYS 110 HE3 LYS 110 -15.341 3.172 2.536 682 HZ1 LYS 110 HZ1 LYS 110 -17.415 1.986 2.776 683 HZ2 LYS 110 HZ2 LYS 110 -16.500 1.805 4.136 684 HZ3 LYS 110 HZ3 LYS 110 -17.793 2.830 4.141 685 H GLU 111 H GLU 111 -11.376 7.260 6.417 686 HA GLU 111 HA GLU 111 -12.422 9.151 8.270 687 HB2 GLU 111 HB2 GLU 111 -9.731 7.848 7.978 688 HB3 GLU 111 HB3 GLU 111 -10.117 9.000 9.280 689 HG2 GLU 111 HG2 GLU 111 -11.913 7.423 10.111 690 HG3 GLU 111 HG3 GLU 111 -11.510 6.420 8.698 691 H LEU 112 H LEU 112 -10.217 9.322 5.568 692 HA LEU 112 HA LEU 112 -9.243 11.947 6.141 693 HB2 LEU 112 HB2 LEU 112 -9.379 10.304 3.717 694 HB3 LEU 112 HB3 LEU 112 -8.481 11.839 3.672 695 HG LEU 112 HG LEU 112 -7.835 9.452 5.446 696 HD11 LEU 112 HD11 LEU 112 -5.811 9.215 3.982 697 HD12 LEU 112 HD12 LEU 112 -7.312 9.031 3.045 698 HD13 LEU 112 HD13 LEU 112 -6.402 10.558 2.976 699 HD21 LEU 112 HD21 LEU 112 -5.772 10.699 5.988 700 HD22 LEU 112 HD22 LEU 112 -6.368 12.071 5.023 701 HD23 LEU 112 HD23 LEU 112 -7.247 11.563 6.484 702 H ASN 113 H ASN 113 -11.974 10.629 4.398 703 HA ASN 113 HA ASN 113 -12.752 13.081 3.159 704 HB2 ASN 113 HB2 ASN 113 -14.531 10.572 3.549 705 HB3 ASN 113 HB3 ASN 113 -14.752 12.199 2.859 706 HD21 ASN 113 HD21 ASN 113 -14.743 9.410 1.728 707 HD22 ASN 113 HD22 ASN 113 -13.655 9.493 0.383 708 H LEU 114 H LEU 114 -13.906 14.729 3.949 709 HA LEU 114 HA LEU 114 -15.159 14.402 6.594 710 HB2 LEU 114 HB2 LEU 114 -13.625 16.648 5.495 711 HB3 LEU 114 HB3 LEU 114 -14.435 16.811 7.071 712 HG LEU 114 HG LEU 114 -12.181 14.881 6.394 713 HD11 LEU 114 HD11 LEU 114 -10.848 16.281 7.995 714 HD12 LEU 114 HD12 LEU 114 -11.425 17.247 6.617 715 HD13 LEU 114 HD13 LEU 114 -12.248 17.361 8.190 716 HD21 LEU 114 HD21 LEU 114 -12.195 14.343 8.805 717 HD22 LEU 114 HD22 LEU 114 -13.625 15.384 9.012 718 HD23 LEU 114 HD23 LEU 114 -13.725 13.924 7.999 Start of MODEL 2 1 H1 GLY 29 H1 GLY 29 3.218 -7.358 -15.508 2 H2 GLY 29 H2 GLY 29 1.872 -7.987 -15.707 3 H3 GLY 29 H3 GLY 29 2.454 -7.885 -14.329 4 HA2 GLY 29 HA2 GLY 29 2.763 -10.080 -16.083 5 HA3 GLY 29 HA3 GLY 29 4.340 -9.343 -15.847 6 H SER 30 H SER 30 5.323 -10.954 -14.567 7 HA SER 30 HA SER 30 3.410 -12.654 -13.225 8 HB2 SER 30 HB2 SER 30 5.189 -14.292 -13.149 9 HB3 SER 30 HB3 SER 30 5.041 -13.596 -14.779 10 HG SER 30 HG SER 30 7.214 -13.743 -14.069 11 H GLU 31 H GLU 31 6.765 -12.133 -12.104 12 HA GLU 31 HA GLU 31 7.491 -12.795 -10.047 13 HB2 GLU 31 HB2 GLU 31 5.234 -10.989 -9.213 14 HB3 GLU 31 HB3 GLU 31 6.488 -11.622 -8.120 15 HG2 GLU 31 HG2 GLU 31 7.107 -9.817 -10.535 16 HG3 GLU 31 HG3 GLU 31 6.806 -9.315 -8.855 17 H GLU 32 H GLU 32 4.945 -12.754 -7.883 18 HA GLU 32 HA GLU 32 2.713 -13.321 -8.113 19 HB2 GLU 32 HB2 GLU 32 3.051 -13.264 -10.564 20 HB3 GLU 32 HB3 GLU 32 3.556 -14.969 -10.483 21 HG2 GLU 32 HG2 GLU 32 1.145 -14.838 -11.186 22 HG3 GLU 32 HG3 GLU 32 1.421 -15.574 -9.591 23 H LYS 33 H LYS 33 1.658 -14.884 -6.958 24 HA LYS 33 HA LYS 33 2.435 -17.649 -7.367 25 HB2 LYS 33 HB2 LYS 33 3.741 -16.910 -5.418 26 HB3 LYS 33 HB3 LYS 33 2.219 -16.490 -4.596 27 HG2 LYS 33 HG2 LYS 33 2.697 -18.579 -3.695 28 HG3 LYS 33 HG3 LYS 33 1.591 -18.986 -5.030 29 HD2 LYS 33 HD2 LYS 33 3.466 -19.571 -6.462 30 HD3 LYS 33 HD3 LYS 33 4.622 -19.044 -5.215 31 HE2 LYS 33 HE2 LYS 33 3.634 -20.783 -3.688 32 HE3 LYS 33 HE3 LYS 33 2.693 -21.378 -5.076 33 HZ1 LYS 33 HZ1 LYS 33 4.723 -22.625 -4.775 34 HZ2 LYS 33 HZ2 LYS 33 4.765 -21.812 -6.211 35 HZ3 LYS 33 HZ3 LYS 33 5.638 -21.260 -4.923 36 H GLU 34 H GLU 34 0.172 -16.529 -8.410 37 HA GLU 34 HA GLU 34 -1.245 -18.686 -8.432 38 HB2 GLU 34 HB2 GLU 34 -1.333 -18.877 -6.049 39 HB3 GLU 34 HB3 GLU 34 -2.107 -17.278 -5.917 40 HG2 GLU 34 HG2 GLU 34 -4.157 -18.221 -7.088 41 HG3 GLU 34 HG3 GLU 34 -3.228 -19.733 -7.204 42 H GLU 35 H GLU 35 -1.004 -16.365 -9.928 43 HA GLU 35 HA GLU 35 -3.603 -16.423 -11.007 44 HB2 GLU 35 HB2 GLU 35 -3.896 -14.844 -9.063 45 HB3 GLU 35 HB3 GLU 35 -2.834 -13.720 -9.947 46 HG2 GLU 35 HG2 GLU 35 -5.201 -13.089 -10.412 47 HG3 GLU 35 HG3 GLU 35 -4.363 -13.783 -11.818 48 H LYS 36 H LYS 36 -3.422 -16.133 -13.135 49 HA LYS 36 HA LYS 36 -0.920 -15.191 -14.234 50 HB2 LYS 36 HB2 LYS 36 -3.407 -16.372 -15.416 51 HB3 LYS 36 HB3 LYS 36 -2.119 -15.683 -16.432 52 HG2 LYS 36 HG2 LYS 36 -0.507 -17.275 -15.390 53 HG3 LYS 36 HG3 LYS 36 -1.860 -18.009 -14.496 54 HD2 LYS 36 HD2 LYS 36 -2.958 -18.580 -16.624 55 HD3 LYS 36 HD3 LYS 36 -1.609 -17.844 -17.519 56 HE2 LYS 36 HE2 LYS 36 -0.060 -19.475 -16.639 57 HE3 LYS 36 HE3 LYS 36 -1.313 -20.149 -15.573 58 HZ1 LYS 36 HZ1 LYS 36 -1.006 -21.489 -17.541 59 HZ2 LYS 36 HZ2 LYS 36 -2.521 -20.834 -17.533 60 HZ3 LYS 36 HZ3 LYS 36 -1.358 -20.210 -18.522 61 H LYS 37 H LYS 37 -2.717 -13.301 -12.844 62 HA LYS 37 HA LYS 37 -2.585 -11.162 -14.740 63 HB2 LYS 37 HB2 LYS 37 -4.648 -12.247 -15.462 64 HB3 LYS 37 HB3 LYS 37 -5.301 -12.077 -13.815 65 HG2 LYS 37 HG2 LYS 37 -6.282 -10.326 -15.084 66 HG3 LYS 37 HG3 LYS 37 -5.013 -9.568 -14.093 67 HD2 LYS 37 HD2 LYS 37 -3.465 -9.749 -16.062 68 HD3 LYS 37 HD3 LYS 37 -4.846 -10.317 -17.030 69 HE2 LYS 37 HE2 LYS 37 -6.035 -8.234 -16.621 70 HE3 LYS 37 HE3 LYS 37 -4.728 -7.668 -15.556 71 HZ1 LYS 37 HZ1 LYS 37 -4.554 -6.723 -17.758 72 HZ2 LYS 37 HZ2 LYS 37 -3.257 -7.697 -17.456 73 HZ3 LYS 37 HZ3 LYS 37 -4.471 -8.221 -18.444 74 H VAL 38 H VAL 38 -2.133 -9.340 -13.626 75 HA VAL 38 HA VAL 38 -3.724 -8.862 -11.206 76 HB VAL 38 HB VAL 38 -1.848 -7.536 -10.228 77 HG11 VAL 38 HG11 VAL 38 -0.528 -9.491 -9.486 78 HG12 VAL 38 HG12 VAL 38 -2.268 -9.861 -9.500 79 HG13 VAL 38 HG13 VAL 38 -1.219 -10.460 -10.807 80 HG21 VAL 38 HG21 VAL 38 0.417 -7.868 -11.087 81 HG22 VAL 38 HG22 VAL 38 -0.242 -8.781 -12.466 82 HG23 VAL 38 HG23 VAL 38 -0.634 -7.055 -12.270 83 H ARG 39 H ARG 39 -3.467 -6.362 -10.655 84 HA ARG 39 HA ARG 39 -3.823 -4.860 -13.152 85 HB2 ARG 39 HB2 ARG 39 -4.559 -4.006 -10.402 86 HB3 ARG 39 HB3 ARG 39 -4.862 -3.135 -11.923 87 HG2 ARG 39 HG2 ARG 39 -6.025 -5.828 -11.146 88 HG3 ARG 39 HG3 ARG 39 -6.885 -4.270 -11.109 89 HD2 ARG 39 HD2 ARG 39 -5.838 -5.729 -13.511 90 HD3 ARG 39 HD3 ARG 39 -7.535 -5.489 -13.031 91 HE ARG 39 HE ARG 39 -5.938 -3.487 -14.510 92 HH11 ARG 39 HH11 ARG 39 -8.675 -3.928 -12.393 93 HH12 ARG 39 HH12 ARG 39 -9.344 -2.400 -12.930 94 HH21 ARG 39 HH21 ARG 39 -6.695 -1.739 -15.140 95 HH22 ARG 39 HH22 ARG 39 -8.216 -1.151 -14.497 96 H GLU 40 H GLU 40 -2.649 -2.956 -13.562 97 HA GLU 40 HA GLU 40 0.070 -3.402 -12.740 98 HB2 GLU 40 HB2 GLU 40 0.705 -1.932 -14.487 99 HB3 GLU 40 HB3 GLU 40 -0.574 -3.019 -15.082 100 HG2 GLU 40 HG2 GLU 40 -2.246 -1.097 -14.744 101 HG3 GLU 40 HG3 GLU 40 -0.820 -0.166 -14.229 102 H LEU 41 H LEU 41 1.467 -1.294 -12.534 103 HA LEU 41 HA LEU 41 0.449 0.170 -10.258 104 HB2 LEU 41 HB2 LEU 41 2.954 0.115 -11.766 105 HB3 LEU 41 HB3 LEU 41 2.819 1.278 -10.426 106 HG LEU 41 HG LEU 41 2.464 -0.603 -8.854 107 HD11 LEU 41 HD11 LEU 41 2.935 -2.938 -9.645 108 HD12 LEU 41 HD12 LEU 41 1.533 -2.240 -10.490 109 HD13 LEU 41 HD13 LEU 41 3.113 -2.323 -11.304 110 HD21 LEU 41 HD21 LEU 41 4.783 -1.453 -8.865 111 HD22 LEU 41 HD22 LEU 41 4.994 -0.803 -10.511 112 HD23 LEU 41 HD23 LEU 41 4.693 0.302 -9.148 113 H THR 42 H THR 42 -1.196 1.461 -11.076 114 HA THR 42 HA THR 42 -0.518 3.413 -13.142 115 HB THR 42 HB THR 42 -2.891 4.034 -13.120 116 HG1 THR 42 HG1 THR 42 -3.151 2.025 -11.100 117 HG21 THR 42 HG21 THR 42 -3.829 1.886 -13.898 118 HG22 THR 42 HG22 THR 42 -2.178 2.126 -14.521 119 HG23 THR 42 HG23 THR 42 -2.463 1.020 -13.156 120 HA PRO 43 HA PRO 43 0.148 6.874 -10.454 121 HB2 PRO 43 HB2 PRO 43 -1.194 8.836 -11.842 122 HB3 PRO 43 HB3 PRO 43 0.430 8.263 -12.250 123 HG2 PRO 43 HG2 PRO 43 -2.241 7.432 -13.431 124 HG3 PRO 43 HG3 PRO 43 -0.728 7.809 -14.264 125 HD2 PRO 43 HD2 PRO 43 -1.437 5.227 -13.858 126 HD3 PRO 43 HD3 PRO 43 0.260 5.703 -13.708 127 H GLN 44 H GLN 44 -3.108 6.048 -11.505 128 HA GLN 44 HA GLN 44 -4.466 7.544 -9.501 129 HB2 GLN 44 HB2 GLN 44 -5.536 6.791 -11.565 130 HB3 GLN 44 HB3 GLN 44 -5.350 5.103 -11.032 131 HG2 GLN 44 HG2 GLN 44 -7.771 5.743 -10.365 132 HG3 GLN 44 HG3 GLN 44 -6.520 5.654 -9.103 133 HE21 GLN 44 HE21 GLN 44 -7.769 6.971 -7.721 134 HE22 GLN 44 HE22 GLN 44 -7.910 8.679 -7.978 135 H GLU 45 H GLU 45 -3.501 4.133 -9.765 136 HA GLU 45 HA GLU 45 -4.725 3.364 -7.320 137 HB2 GLU 45 HB2 GLU 45 -2.698 2.077 -9.114 138 HB3 GLU 45 HB3 GLU 45 -3.207 1.331 -7.581 139 HG2 GLU 45 HG2 GLU 45 -5.602 1.289 -8.457 140 HG3 GLU 45 HG3 GLU 45 -4.930 2.066 -9.909 141 H LEU 46 H LEU 46 -1.660 4.744 -8.135 142 HA LEU 46 HA LEU 46 -0.364 3.845 -5.703 143 HB2 LEU 46 HB2 LEU 46 0.406 5.599 -7.920 144 HB3 LEU 46 HB3 LEU 46 1.589 5.263 -6.636 145 HG LEU 46 HG LEU 46 0.360 3.238 -8.547 146 HD11 LEU 46 HD11 LEU 46 2.710 3.011 -9.395 147 HD12 LEU 46 HD12 LEU 46 2.111 4.676 -9.588 148 HD13 LEU 46 HD13 LEU 46 3.225 4.280 -8.259 149 HD21 LEU 46 HD21 LEU 46 1.891 1.607 -7.500 150 HD22 LEU 46 HD22 LEU 46 2.385 2.852 -6.326 151 HD23 LEU 46 HD23 LEU 46 0.702 2.269 -6.352 152 H GLU 47 H GLU 47 -1.648 6.837 -7.062 153 HA GLU 47 HA GLU 47 -0.715 8.516 -4.961 154 HB2 GLU 47 HB2 GLU 47 -2.793 8.841 -7.100 155 HB3 GLU 47 HB3 GLU 47 -2.491 10.094 -5.873 156 HG2 GLU 47 HG2 GLU 47 -0.129 10.331 -6.701 157 HG3 GLU 47 HG3 GLU 47 -0.476 8.941 -7.754 158 H LEU 48 H LEU 48 -3.805 6.922 -5.641 159 HA LEU 48 HA LEU 48 -5.203 7.952 -3.415 160 HB2 LEU 48 HB2 LEU 48 -6.886 6.437 -3.933 161 HB3 LEU 48 HB3 LEU 48 -6.117 6.763 -5.484 162 HG LEU 48 HG LEU 48 -4.790 4.600 -5.040 163 HD11 LEU 48 HD11 LEU 48 -7.144 3.898 -3.330 164 HD12 LEU 48 HD12 LEU 48 -5.679 4.577 -2.620 165 HD13 LEU 48 HD13 LEU 48 -5.603 3.057 -3.513 166 HD21 LEU 48 HD21 LEU 48 -6.743 5.039 -6.653 167 HD22 LEU 48 HD22 LEU 48 -7.726 4.176 -5.470 168 HD23 LEU 48 HD23 LEU 48 -6.361 3.367 -6.239 169 H PHE 49 H PHE 49 -2.912 5.371 -3.772 170 HA PHE 49 HA PHE 49 -3.464 3.975 -1.381 171 HB2 PHE 49 HB2 PHE 49 -2.075 2.966 -3.123 172 HB3 PHE 49 HB3 PHE 49 -0.852 4.239 -2.911 173 HD1 PHE 49 HD1 PHE 49 -2.415 1.276 -1.387 174 HD2 PHE 49 HD2 PHE 49 0.726 4.161 -1.162 175 HE1 PHE 49 HE1 PHE 49 -1.262 -0.115 0.299 176 HE2 PHE 49 HE2 PHE 49 1.884 2.772 0.524 177 HZ PHE 49 HZ PHE 49 0.888 0.634 1.256 178 H LYS 50 H LYS 50 -0.857 6.313 -2.074 179 HA LYS 50 HA LYS 50 -0.118 6.662 0.630 180 HB2 LYS 50 HB2 LYS 50 1.195 8.516 -0.101 181 HB3 LYS 50 HB3 LYS 50 1.348 7.170 -1.253 182 HG2 LYS 50 HG2 LYS 50 -0.204 8.286 -2.789 183 HG3 LYS 50 HG3 LYS 50 -0.408 9.620 -1.628 184 HD2 LYS 50 HD2 LYS 50 2.026 10.099 -1.801 185 HD3 LYS 50 HD3 LYS 50 2.164 8.820 -3.031 186 HE2 LYS 50 HE2 LYS 50 0.565 10.027 -4.461 187 HE3 LYS 50 HE3 LYS 50 0.444 11.311 -3.237 188 HZ1 LYS 50 HZ1 LYS 50 1.976 11.897 -4.989 189 HZ2 LYS 50 HZ2 LYS 50 2.784 11.750 -3.558 190 HZ3 LYS 50 HZ3 LYS 50 2.896 10.560 -4.695 191 H ARG 51 H ARG 51 -2.544 8.160 -1.382 192 HA ARG 51 HA ARG 51 -3.224 10.305 0.316 193 HB2 ARG 51 HB2 ARG 51 -3.947 10.200 -1.953 194 HB3 ARG 51 HB3 ARG 51 -4.998 8.821 -1.553 195 HG2 ARG 51 HG2 ARG 51 -6.323 10.223 -0.063 196 HG3 ARG 51 HG3 ARG 51 -5.240 11.604 -0.370 197 HD2 ARG 51 HD2 ARG 51 -5.918 11.615 -2.690 198 HD3 ARG 51 HD3 ARG 51 -7.003 10.240 -2.380 199 HE ARG 51 HE ARG 51 -7.832 12.458 -0.694 200 HH11 ARG 51 HH11 ARG 51 -7.752 11.595 -4.070 201 HH12 ARG 51 HH12 ARG 51 -9.170 12.583 -4.363 202 HH21 ARG 51 HH21 ARG 51 -9.451 13.600 -1.013 203 HH22 ARG 51 HH22 ARG 51 -10.140 13.728 -2.620 204 H ALA 52 H ALA 52 -4.324 6.941 0.179 205 HA ALA 52 HA ALA 52 -6.293 7.249 2.219 206 HB1 ALA 52 HB1 ALA 52 -6.697 5.491 0.736 207 HB2 ALA 52 HB2 ALA 52 -5.049 4.874 0.876 208 HB3 ALA 52 HB3 ALA 52 -6.177 4.689 2.219 209 H MET 53 H MET 53 -2.923 6.233 2.161 210 HA MET 53 HA MET 53 -2.930 5.273 4.863 211 HB2 MET 53 HB2 MET 53 -0.714 5.901 2.931 212 HB3 MET 53 HB3 MET 53 -0.449 5.235 4.560 213 HG2 MET 53 HG2 MET 53 -2.080 3.904 2.375 214 HG3 MET 53 HG3 MET 53 -0.385 3.516 2.755 215 HE1 MET 53 HE1 MET 53 -2.451 0.403 4.100 216 HE2 MET 53 HE2 MET 53 -2.857 1.401 2.682 217 HE3 MET 53 HE3 MET 53 -1.165 0.937 2.990 218 H GLY 54 H GLY 54 -2.803 8.342 3.455 219 HA2 GLY 54 HA2 GLY 54 -2.662 10.417 4.450 220 HA3 GLY 54 HA3 GLY 54 -2.468 9.608 5.997 221 H ILE 55 H ILE 55 -0.407 9.180 3.167 222 HA ILE 55 HA ILE 55 1.895 9.370 4.857 223 HB ILE 55 HB ILE 55 1.668 9.004 1.855 224 HG12 ILE 55 HG12 ILE 55 2.292 7.046 4.052 225 HG13 ILE 55 HG13 ILE 55 0.719 7.230 3.242 226 HG21 ILE 55 HG21 ILE 55 4.044 8.326 1.966 227 HG22 ILE 55 HG22 ILE 55 3.837 10.018 2.475 228 HG23 ILE 55 HG23 ILE 55 4.084 8.746 3.694 229 HD11 ILE 55 HD11 ILE 55 1.981 5.329 2.312 230 HD12 ILE 55 HD12 ILE 55 1.753 6.605 1.093 231 HD13 ILE 55 HD13 ILE 55 3.326 6.420 1.904 232 H THR 56 H THR 56 3.070 11.110 5.293 233 HA THR 56 HA THR 56 2.639 13.536 3.695 234 HB THR 56 HB THR 56 3.478 14.815 5.572 235 HG1 THR 56 HG1 THR 56 4.018 12.242 6.691 236 HG21 THR 56 HG21 THR 56 1.789 14.233 7.279 237 HG22 THR 56 HG22 THR 56 1.101 14.144 5.640 238 HG23 THR 56 HG23 THR 56 1.547 12.652 6.500 239 HA PRO 57 HA PRO 57 6.743 13.705 2.048 240 HB2 PRO 57 HB2 PRO 57 7.397 16.348 2.481 241 HB3 PRO 57 HB3 PRO 57 6.366 15.783 1.159 242 HG2 PRO 57 HG2 PRO 57 5.557 16.893 3.867 243 HG3 PRO 57 HG3 PRO 57 4.901 17.274 2.269 244 HD2 PRO 57 HD2 PRO 57 3.570 15.562 3.880 245 HD3 PRO 57 HD3 PRO 57 3.657 15.229 2.146 246 H HIS 58 H HIS 58 6.085 14.571 5.339 247 HA HIS 58 HA HIS 58 8.782 14.709 6.239 248 HB2 HIS 58 HB2 HIS 58 6.172 14.206 7.701 249 HB3 HIS 58 HB3 HIS 58 7.746 14.290 8.526 250 HD1 HIS 58 HD1 HIS 58 9.105 16.662 7.805 251 HD2 HIS 58 HD2 HIS 58 4.893 16.697 7.679 252 HE1 HIS 58 HE1 HIS 58 8.445 19.007 8.003 253 H ASN 59 H ASN 59 6.398 12.109 6.002 254 HA ASN 59 HA ASN 59 8.515 10.195 6.738 255 HB2 ASN 59 HB2 ASN 59 6.780 8.755 7.876 256 HB3 ASN 59 HB3 ASN 59 6.869 10.499 8.223 257 HD21 ASN 59 HD21 ASN 59 4.682 8.862 8.833 258 HD22 ASN 59 HD22 ASN 59 3.325 9.392 7.897 259 H TYR 60 H TYR 60 7.550 11.346 4.087 260 HA TYR 60 HA TYR 60 6.297 9.281 2.627 261 HB2 TYR 60 HB2 TYR 60 6.365 11.593 1.872 262 HB3 TYR 60 HB3 TYR 60 8.130 11.473 1.670 263 HD1 TYR 60 HD1 TYR 60 4.872 10.219 0.385 264 HD2 TYR 60 HD2 TYR 60 9.069 10.528 -0.306 265 HE1 TYR 60 HE1 TYR 60 4.544 9.396 -1.928 266 HE2 TYR 60 HE2 TYR 60 8.759 9.709 -2.616 267 HH TYR 60 HH TYR 60 7.274 8.989 -4.187 268 H TRP 61 H TRP 61 9.721 10.203 2.924 269 HA TRP 61 HA TRP 61 10.747 8.166 1.287 270 HB2 TRP 61 HB2 TRP 61 12.924 8.694 2.246 271 HB3 TRP 61 HB3 TRP 61 12.019 10.209 2.021 272 HD1 TRP 61 HD1 TRP 61 11.269 11.447 4.070 273 HE1 TRP 61 HE1 TRP 61 12.044 11.413 6.659 274 HE3 TRP 61 HE3 TRP 61 13.742 7.007 4.036 275 HZ2 TRP 61 HZ2 TRP 61 13.478 9.676 8.259 276 HZ3 TRP 61 HZ3 TRP 61 14.791 6.186 6.053 277 HH2 TRP 61 HH2 TRP 61 14.694 7.448 8.159 278 H GLN 62 H GLN 62 9.747 8.193 4.624 279 HA GLN 62 HA GLN 62 10.979 5.760 5.404 280 HB2 GLN 62 HB2 GLN 62 8.571 7.237 6.441 281 HB3 GLN 62 HB3 GLN 62 9.202 5.748 7.184 282 HG2 GLN 62 HG2 GLN 62 11.484 7.149 7.622 283 HG3 GLN 62 HG3 GLN 62 10.462 8.311 6.746 284 HE21 GLN 62 HE21 GLN 62 11.646 8.774 9.286 285 HE22 GLN 62 HE22 GLN 62 10.373 8.944 10.448 286 H TRP 63 H TRP 63 7.698 6.524 4.260 287 HA TRP 63 HA TRP 63 6.815 3.842 4.108 288 HB2 TRP 63 HB2 TRP 63 5.892 6.460 3.046 289 HB3 TRP 63 HB3 TRP 63 5.280 5.012 2.252 290 HD1 TRP 63 HD1 TRP 63 5.096 6.922 5.552 291 HE1 TRP 63 HE1 TRP 63 3.142 5.986 6.941 292 HE3 TRP 63 HE3 TRP 63 3.898 2.886 2.652 293 HZ2 TRP 63 HZ2 TRP 63 1.333 3.823 6.824 294 HZ3 TRP 63 HZ3 TRP 63 2.042 1.433 3.361 295 HH2 TRP 63 HH2 TRP 63 0.787 1.894 5.403 296 H ALA 64 H ALA 64 8.538 5.937 1.875 297 HA ALA 64 HA ALA 64 8.289 4.386 -0.446 298 HB1 ALA 64 HB1 ALA 64 10.188 5.621 -1.294 299 HB2 ALA 64 HB2 ALA 64 9.113 6.707 -0.413 300 HB3 ALA 64 HB3 ALA 64 10.606 6.147 0.337 301 H SER 65 H SER 65 10.321 4.040 2.356 302 HA SER 65 HA SER 65 12.225 2.284 1.146 303 HB2 SER 65 HB2 SER 65 11.575 2.867 4.032 304 HB3 SER 65 HB3 SER 65 12.924 1.838 3.494 305 HG SER 65 HG SER 65 13.559 4.002 3.887 306 H ARG 66 H ARG 66 9.276 1.864 3.032 307 HA ARG 66 HA ARG 66 9.701 -0.982 3.323 308 HB2 ARG 66 HB2 ARG 66 7.850 -1.104 4.661 309 HB3 ARG 66 HB3 ARG 66 8.761 0.355 5.113 310 HG2 ARG 66 HG2 ARG 66 7.142 1.794 4.220 311 HG3 ARG 66 HG3 ARG 66 6.408 0.505 3.237 312 HD2 ARG 66 HD2 ARG 66 5.015 1.204 5.101 313 HD3 ARG 66 HD3 ARG 66 5.483 -0.510 5.185 314 HE ARG 66 HE ARG 66 6.705 0.041 7.267 315 HH11 ARG 66 HH11 ARG 66 5.634 2.962 5.692 316 HH12 ARG 66 HH12 ARG 66 5.989 3.881 7.140 317 HH21 ARG 66 HH21 ARG 66 7.124 1.082 8.931 318 HH22 ARG 66 HH22 ARG 66 6.840 2.811 8.988 319 H THR 67 H THR 67 7.984 1.162 1.214 320 HA THR 67 HA THR 67 6.273 -0.958 0.183 321 HB THR 67 HB THR 67 5.282 0.798 -1.254 322 HG1 THR 67 HG1 THR 67 7.170 2.485 0.079 323 HG21 THR 67 HG21 THR 67 4.278 2.137 0.562 324 HG22 THR 67 HG22 THR 67 4.388 0.420 1.018 325 HG23 THR 67 HG23 THR 67 5.557 1.590 1.673 326 H ASN 68 H ASN 68 9.375 -0.270 -0.256 327 HA ASN 68 HA ASN 68 10.915 -0.459 -1.922 328 HB2 ASN 68 HB2 ASN 68 9.626 -2.872 -2.111 329 HB3 ASN 68 HB3 ASN 68 8.942 -1.843 -3.394 330 HD21 ASN 68 HD21 ASN 68 9.780 -3.761 -4.614 331 HD22 ASN 68 HD22 ASN 68 11.398 -3.653 -5.225 332 H ASN 69 H ASN 69 9.946 1.914 -2.172 333 HA ASN 69 HA ASN 69 9.639 3.657 -3.601 334 HB2 ASN 69 HB2 ASN 69 11.337 2.101 -5.175 335 HB3 ASN 69 HB3 ASN 69 9.683 1.940 -5.812 336 HD21 ASN 69 HD21 ASN 69 10.729 2.834 -7.733 337 HD22 ASN 69 HD22 ASN 69 10.827 4.557 -7.892 338 H PHE 70 H PHE 70 7.403 2.065 -2.707 339 HA PHE 70 HA PHE 70 5.163 1.838 -3.051 340 HB2 PHE 70 HB2 PHE 70 5.710 4.247 -4.818 341 HB3 PHE 70 HB3 PHE 70 4.082 3.685 -4.375 342 HD1 PHE 70 HD1 PHE 70 3.407 3.687 -1.976 343 HD2 PHE 70 HD2 PHE 70 6.972 5.574 -3.382 344 HE1 PHE 70 HE1 PHE 70 3.497 5.047 0.086 345 HE2 PHE 70 HE2 PHE 70 7.068 6.934 -1.320 346 HZ PHE 70 HZ PHE 70 5.329 6.670 0.414 347 H LYS 71 H LYS 71 6.847 0.193 -4.676 348 HA LYS 71 HA LYS 71 5.439 -0.052 -7.204 349 HB2 LYS 71 HB2 LYS 71 7.492 -1.840 -5.916 350 HB3 LYS 71 HB3 LYS 71 6.839 -2.023 -7.560 351 HG2 LYS 71 HG2 LYS 71 8.413 0.374 -6.562 352 HG3 LYS 71 HG3 LYS 71 9.092 -0.965 -7.517 353 HD2 LYS 71 HD2 LYS 71 6.777 0.772 -8.431 354 HD3 LYS 71 HD3 LYS 71 8.477 1.085 -8.853 355 HE2 LYS 71 HE2 LYS 71 7.152 -1.575 -9.395 356 HE3 LYS 71 HE3 LYS 71 7.046 -0.221 -10.542 357 HZ1 LYS 71 HZ1 LYS 71 8.874 -1.689 -11.063 358 HZ2 LYS 71 HZ2 LYS 71 9.448 -0.201 -10.640 359 HZ3 LYS 71 HZ3 LYS 71 9.545 -1.457 -9.574 360 H LEU 72 H LEU 72 3.334 -0.621 -6.847 361 HA LEU 72 HA LEU 72 2.832 -2.845 -4.980 362 HB2 LEU 72 HB2 LEU 72 1.170 -0.503 -5.585 363 HB3 LEU 72 HB3 LEU 72 0.685 -1.696 -4.358 364 HG LEU 72 HG LEU 72 3.142 0.091 -4.195 365 HD11 LEU 72 HD11 LEU 72 1.873 1.296 -2.399 366 HD12 LEU 72 HD12 LEU 72 1.028 1.393 -3.962 367 HD13 LEU 72 HD13 LEU 72 0.465 0.254 -2.714 368 HD21 LEU 72 HD21 LEU 72 3.267 -0.701 -1.858 369 HD22 LEU 72 HD22 LEU 72 1.888 -1.785 -2.171 370 HD23 LEU 72 HD23 LEU 72 3.423 -2.022 -3.040 371 H LEU 73 H LEU 73 1.714 -4.526 -5.755 372 HA LEU 73 HA LEU 73 0.128 -4.134 -8.205 373 HB2 LEU 73 HB2 LEU 73 1.483 -6.457 -7.048 374 HB3 LEU 73 HB3 LEU 73 0.380 -6.717 -8.419 375 HG LEU 73 HG LEU 73 2.839 -4.933 -8.506 376 HD11 LEU 73 HD11 LEU 73 3.888 -6.772 -9.851 377 HD12 LEU 73 HD12 LEU 73 3.488 -7.321 -8.206 378 HD13 LEU 73 HD13 LEU 73 2.444 -7.776 -9.575 379 HD21 LEU 73 HD21 LEU 73 2.493 -5.020 -10.950 380 HD22 LEU 73 HD22 LEU 73 1.020 -5.985 -10.690 381 HD23 LEU 73 HD23 LEU 73 1.107 -4.314 -10.085 382 H THR 74 H THR 74 -1.904 -5.221 -8.354 383 HA THR 74 HA THR 74 -3.075 -6.460 -6.049 384 HB THR 74 HB THR 74 -3.197 -4.096 -5.346 385 HG1 THR 74 HG1 THR 74 -4.874 -5.502 -4.708 386 HG21 THR 74 HG21 THR 74 -4.681 -2.552 -6.579 387 HG22 THR 74 HG22 THR 74 -3.313 -3.072 -7.593 388 HG23 THR 74 HG23 THR 74 -4.923 -3.788 -7.834 389 H ASP 75 H ASP 75 -5.235 -7.237 -6.446 390 HA ASP 75 HA ASP 75 -6.503 -6.584 -8.962 391 HB2 ASP 75 HB2 ASP 75 -4.942 -8.582 -9.496 392 HB3 ASP 75 HB3 ASP 75 -5.926 -9.373 -8.240 393 H GLY 76 H GLY 76 -8.042 -5.683 -7.497 394 HA2 GLY 76 HA2 GLY 76 -10.077 -5.732 -6.438 395 HA3 GLY 76 HA3 GLY 76 -10.263 -7.347 -7.109 396 H GLU 77 H GLU 77 -7.515 -6.875 -5.122 397 HA GLU 77 HA GLU 77 -8.875 -8.150 -2.854 398 HB2 GLU 77 HB2 GLU 77 -6.414 -9.164 -4.253 399 HB3 GLU 77 HB3 GLU 77 -6.959 -9.725 -2.654 400 HG2 GLU 77 HG2 GLU 77 -8.637 -10.011 -5.220 401 HG3 GLU 77 HG3 GLU 77 -7.522 -11.200 -4.508 402 H TRP 78 H TRP 78 -5.806 -8.656 -2.177 403 HA TRP 78 HA TRP 78 -5.398 -6.268 -0.650 404 HB2 TRP 78 HB2 TRP 78 -3.499 -8.571 -1.240 405 HB3 TRP 78 HB3 TRP 78 -3.220 -7.287 -0.038 406 HD1 TRP 78 HD1 TRP 78 -6.532 -8.920 -0.501 407 HE1 TRP 78 HE1 TRP 78 -7.159 -10.308 1.732 408 HE3 TRP 78 HE3 TRP 78 -2.110 -8.403 1.950 409 HZ2 TRP 78 HZ2 TRP 78 -5.841 -10.976 4.066 410 HZ3 TRP 78 HZ3 TRP 78 -1.808 -9.395 4.134 411 HH2 TRP 78 HH2 TRP 78 -3.601 -10.673 5.225 412 H VAL 79 H VAL 79 -4.128 -4.495 -1.124 413 HA VAL 79 HA VAL 79 -2.482 -4.545 -3.536 414 HB VAL 79 HB VAL 79 -2.891 -2.350 -1.483 415 HG11 VAL 79 HG11 VAL 79 -1.728 -0.911 -3.123 416 HG12 VAL 79 HG12 VAL 79 -0.666 -2.222 -2.556 417 HG13 VAL 79 HG13 VAL 79 -1.435 -2.328 -4.159 418 HG21 VAL 79 HG21 VAL 79 -4.169 -1.247 -3.249 419 HG22 VAL 79 HG22 VAL 79 -3.963 -2.677 -4.289 420 HG23 VAL 79 HG23 VAL 79 -4.890 -2.804 -2.775 421 H TRP 80 H TRP 80 -0.466 -5.287 -3.481 422 HA TRP 80 HA TRP 80 0.896 -5.412 -0.873 423 HB2 TRP 80 HB2 TRP 80 1.741 -7.643 -1.432 424 HB3 TRP 80 HB3 TRP 80 -0.035 -7.635 -1.543 425 HD1 TRP 80 HD1 TRP 80 3.034 -7.593 -3.673 426 HE1 TRP 80 HE1 TRP 80 2.441 -8.638 -6.095 427 HE3 TRP 80 HE3 TRP 80 -1.985 -8.099 -3.043 428 HZ2 TRP 80 HZ2 TRP 80 0.135 -9.488 -7.358 429 HZ3 TRP 80 HZ3 TRP 80 -3.346 -9.006 -4.824 430 HH2 TRP 80 HH2 TRP 80 -2.365 -9.708 -6.965 431 H VAL 81 H VAL 81 3.241 -5.572 -0.986 432 HA VAL 81 HA VAL 81 4.297 -3.845 -3.055 433 HB VAL 81 HB VAL 81 5.660 -5.092 -0.647 434 HG11 VAL 81 HG11 VAL 81 7.457 -3.455 -1.101 435 HG12 VAL 81 HG12 VAL 81 7.258 -4.581 -2.463 436 HG13 VAL 81 HG13 VAL 81 6.606 -2.928 -2.572 437 HG21 VAL 81 HG21 VAL 81 5.524 -2.847 0.308 438 HG22 VAL 81 HG22 VAL 81 4.604 -2.299 -1.113 439 HG23 VAL 81 HG23 VAL 81 3.915 -3.528 -0.026 440 H GLU 82 H GLU 82 5.326 -4.496 -4.825 441 HA GLU 82 HA GLU 82 5.584 -7.093 -5.688 442 HB2 GLU 82 HB2 GLU 82 5.808 -5.162 -7.136 443 HB3 GLU 82 HB3 GLU 82 7.355 -4.751 -6.358 444 HG2 GLU 82 HG2 GLU 82 8.312 -6.949 -7.260 445 HG3 GLU 82 HG3 GLU 82 6.700 -7.177 -7.977 446 H GLY 83 H GLY 83 6.821 -8.764 -5.141 447 HA2 GLY 83 HA2 GLY 83 9.026 -9.690 -4.842 448 HA3 GLY 83 HA3 GLY 83 9.476 -8.225 -3.985 449 H TYR 84 H TYR 84 6.597 -8.642 -2.748 450 HA TYR 84 HA TYR 84 7.551 -10.453 -0.628 451 HB2 TYR 84 HB2 TYR 84 5.711 -8.073 -0.449 452 HB3 TYR 84 HB3 TYR 84 6.043 -9.201 0.889 453 HD1 TYR 84 HD1 TYR 84 8.384 -9.348 1.802 454 HD2 TYR 84 HD2 TYR 84 7.231 -6.312 -0.960 455 HE1 TYR 84 HE1 TYR 84 10.379 -8.032 2.433 456 HE2 TYR 84 HE2 TYR 84 9.224 -4.979 -0.340 457 HH TYR 84 HH TYR 84 11.139 -4.904 0.889 458 H GLU 85 H GLU 85 6.164 -11.325 -2.985 459 HA GLU 85 HA GLU 85 3.479 -11.885 -2.642 460 HB2 GLU 85 HB2 GLU 85 5.648 -13.659 -3.739 461 HB3 GLU 85 HB3 GLU 85 3.903 -13.967 -3.904 462 HG2 GLU 85 HG2 GLU 85 4.502 -12.915 -6.008 463 HG3 GLU 85 HG3 GLU 85 3.770 -11.693 -4.943 464 H GLU 86 H GLU 86 6.205 -13.071 -0.870 465 HA GLU 86 HA GLU 86 5.070 -15.348 0.314 466 HB2 GLU 86 HB2 GLU 86 7.433 -14.826 0.439 467 HB3 GLU 86 HB3 GLU 86 7.070 -13.399 1.441 468 HG2 GLU 86 HG2 GLU 86 6.191 -14.965 3.253 469 HG3 GLU 86 HG3 GLU 86 6.586 -16.272 2.113 470 H HIS 87 H HIS 87 4.840 -11.923 1.129 471 HA HIS 87 HA HIS 87 3.776 -12.467 3.750 472 HB2 HIS 87 HB2 HIS 87 4.193 -9.853 2.258 473 HB3 HIS 87 HB3 HIS 87 3.617 -9.971 3.936 474 HD1 HIS 87 HD1 HIS 87 5.807 -8.479 4.363 475 HD2 HIS 87 HD2 HIS 87 6.517 -12.513 3.371 476 HE1 HIS 87 HE1 HIS 87 8.135 -8.920 4.960 477 H ILE 88 H ILE 88 2.483 -12.240 0.652 478 HA ILE 88 HA ILE 88 0.019 -10.979 1.091 479 HB ILE 88 HB ILE 88 0.743 -13.182 -0.862 480 HG12 ILE 88 HG12 ILE 88 0.477 -10.205 -1.200 481 HG13 ILE 88 HG13 ILE 88 1.999 -11.117 -1.079 482 HG21 ILE 88 HG21 ILE 88 -1.299 -12.505 -2.080 483 HG22 ILE 88 HG22 ILE 88 -1.695 -13.125 -0.460 484 HG23 ILE 88 HG23 ILE 88 -1.706 -11.373 -0.769 485 HD11 ILE 88 HD11 ILE 88 1.473 -10.573 -3.423 486 HD12 ILE 88 HD12 ILE 88 1.439 -12.331 -3.147 487 HD13 ILE 88 HD13 ILE 88 -0.084 -11.419 -3.270 488 H GLY 89 H GLY 89 -1.700 -11.543 2.252 489 HA2 GLY 89 HA2 GLY 89 -3.408 -12.960 2.992 490 HA3 GLY 89 HA3 GLY 89 -2.449 -14.342 2.483 491 H LYS 90 H LYS 90 -0.763 -12.043 4.357 492 HA LYS 90 HA LYS 90 -1.243 -13.612 6.807 493 HB2 LYS 90 HB2 LYS 90 1.260 -12.326 5.748 494 HB3 LYS 90 HB3 LYS 90 1.076 -12.676 7.463 495 HG2 LYS 90 HG2 LYS 90 2.173 -14.549 6.719 496 HG3 LYS 90 HG3 LYS 90 0.487 -15.071 6.633 497 HD2 LYS 90 HD2 LYS 90 0.672 -14.095 4.187 498 HD3 LYS 90 HD3 LYS 90 2.391 -14.406 4.441 499 HE2 LYS 90 HE2 LYS 90 1.292 -16.307 3.370 500 HE3 LYS 90 HE3 LYS 90 1.898 -16.738 4.969 501 HZ1 LYS 90 HZ1 LYS 90 -0.147 -17.180 5.691 502 HZ2 LYS 90 HZ2 LYS 90 -0.621 -17.172 4.068 503 HZ3 LYS 90 HZ3 LYS 90 -0.806 -15.779 5.010 504 H GLN 91 H GLN 91 -0.929 -12.373 8.840 505 HA GLN 91 HA GLN 91 -2.013 -9.661 8.534 506 HB2 GLN 91 HB2 GLN 91 -3.386 -11.237 9.786 507 HB3 GLN 91 HB3 GLN 91 -2.034 -11.515 10.909 508 HG2 GLN 91 HG2 GLN 91 -3.500 -9.756 12.106 509 HG3 GLN 91 HG3 GLN 91 -2.007 -9.212 11.305 510 HE21 GLN 91 HE21 GLN 91 -2.673 -7.086 11.066 511 HE22 GLN 91 HE22 GLN 91 -3.937 -6.615 9.978 512 H LEU 92 H LEU 92 -0.397 -8.222 8.513 513 HA LEU 92 HA LEU 92 1.699 -8.472 10.571 514 HB2 LEU 92 HB2 LEU 92 1.701 -7.220 7.918 515 HB3 LEU 92 HB3 LEU 92 3.125 -7.059 8.971 516 HG LEU 92 HG LEU 92 2.022 -9.647 7.809 517 HD11 LEU 92 HD11 LEU 92 4.172 -9.679 6.518 518 HD12 LEU 92 HD12 LEU 92 3.210 -8.232 6.136 519 HD13 LEU 92 HD13 LEU 92 4.607 -8.109 7.234 520 HD21 LEU 92 HD21 LEU 92 4.027 -10.705 8.789 521 HD22 LEU 92 HD22 LEU 92 4.453 -9.152 9.550 522 HD23 LEU 92 HD23 LEU 92 2.956 -9.993 10.019 523 HA PRO 93 HA PRO 93 -0.627 -4.715 11.788 524 HB2 PRO 93 HB2 PRO 93 -0.269 -5.030 14.462 525 HB3 PRO 93 HB3 PRO 93 -1.557 -5.851 13.568 526 HG2 PRO 93 HG2 PRO 93 1.160 -6.919 14.407 527 HG3 PRO 93 HG3 PRO 93 -0.425 -7.692 14.542 528 HD2 PRO 93 HD2 PRO 93 1.278 -8.309 12.492 529 HD3 PRO 93 HD3 PRO 93 -0.472 -8.299 12.246 530 H LEU 94 H LEU 94 2.603 -5.837 12.171 531 HA LEU 94 HA LEU 94 3.550 -3.419 13.461 532 HB2 LEU 94 HB2 LEU 94 4.924 -5.756 12.336 533 HB3 LEU 94 HB3 LEU 94 5.817 -4.558 13.303 534 HG LEU 94 HG LEU 94 3.627 -6.442 14.258 535 HD11 LEU 94 HD11 LEU 94 5.445 -7.330 15.741 536 HD12 LEU 94 HD12 LEU 94 5.882 -7.477 14.022 537 HD13 LEU 94 HD13 LEU 94 6.583 -6.173 15.012 538 HD21 LEU 94 HD21 LEU 94 3.979 -5.456 16.496 539 HD22 LEU 94 HD22 LEU 94 5.086 -4.262 15.775 540 HD23 LEU 94 HD23 LEU 94 3.367 -4.275 15.314 541 H ASN 95 H ASN 95 5.766 -2.620 12.420 542 HA ASN 95 HA ASN 95 5.086 -1.397 9.947 543 HB2 ASN 95 HB2 ASN 95 7.840 -1.283 11.367 544 HB3 ASN 95 HB3 ASN 95 7.180 -0.663 9.834 545 HD21 ASN 95 HD21 ASN 95 8.207 0.729 12.208 546 HD22 ASN 95 HD22 ASN 95 6.935 1.787 12.720 547 H GLN 96 H GLN 96 6.155 -4.465 10.626 548 HA GLN 96 HA GLN 96 7.853 -4.905 8.371 549 HB2 GLN 96 HB2 GLN 96 6.255 -6.824 10.059 550 HB3 GLN 96 HB3 GLN 96 7.438 -7.301 8.819 551 HG2 GLN 96 HG2 GLN 96 8.210 -5.897 11.524 552 HG3 GLN 96 HG3 GLN 96 8.295 -7.532 10.825 553 HE21 GLN 96 HE21 GLN 96 9.991 -4.726 11.399 554 HE22 GLN 96 HE22 GLN 96 11.241 -4.900 10.212 555 H ALA 97 H ALA 97 4.556 -4.368 8.675 556 HA ALA 97 HA ALA 97 3.317 -6.051 6.888 557 HB1 ALA 97 HB1 ALA 97 2.659 -3.684 8.198 558 HB2 ALA 97 HB2 ALA 97 2.412 -3.339 6.485 559 HB3 ALA 97 HB3 ALA 97 1.585 -4.701 7.239 560 H ARG 98 H ARG 98 3.378 -6.384 4.751 561 HA ARG 98 HA ARG 98 4.558 -4.311 3.033 562 HB2 ARG 98 HB2 ARG 98 5.204 -7.209 2.868 563 HB3 ARG 98 HB3 ARG 98 5.622 -5.979 1.651 564 HG2 ARG 98 HG2 ARG 98 6.528 -5.897 4.545 565 HG3 ARG 98 HG3 ARG 98 7.491 -6.586 3.215 566 HD2 ARG 98 HD2 ARG 98 7.447 -4.398 2.113 567 HD3 ARG 98 HD3 ARG 98 6.601 -3.739 3.533 568 HE ARG 98 HE ARG 98 9.519 -4.360 3.469 569 HH11 ARG 98 HH11 ARG 98 6.751 -3.559 5.432 570 HH12 ARG 98 HH12 ARG 98 7.812 -3.068 6.739 571 HH21 ARG 98 HH21 ARG 98 10.747 -3.794 4.952 572 HH22 ARG 98 HH22 ARG 98 10.090 -3.200 6.465 573 H ALA 99 H ALA 99 1.788 -5.431 3.732 574 HA ALA 99 HA ALA 99 0.724 -5.307 1.072 575 HB1 ALA 99 HB1 ALA 99 0.869 -7.921 2.512 576 HB2 ALA 99 HB2 ALA 99 -0.480 -7.580 1.427 577 HB3 ALA 99 HB3 ALA 99 1.172 -7.559 0.813 578 H TRP 100 H TRP 100 -1.444 -4.799 1.047 579 HA TRP 100 HA TRP 100 -2.896 -4.841 3.591 580 HB2 TRP 100 HB2 TRP 100 -2.715 -2.359 1.841 581 HB3 TRP 100 HB3 TRP 100 -3.603 -2.518 3.376 582 HD1 TRP 100 HD1 TRP 100 -2.348 -2.274 5.479 583 HE1 TRP 100 HE1 TRP 100 0.147 -1.474 6.142 584 HE3 TRP 100 HE3 TRP 100 -0.243 -2.542 0.861 585 HZ2 TRP 100 HZ2 TRP 100 2.516 -1.085 4.774 586 HZ3 TRP 100 HZ3 TRP 100 2.085 -1.966 0.553 587 HH2 TRP 100 HH2 TRP 100 3.493 -1.246 2.434 588 H SER 101 H SER 101 -5.226 -4.493 3.328 589 HA SER 101 HA SER 101 -6.195 -5.677 0.855 590 HB2 SER 101 HB2 SER 101 -7.082 -6.633 2.835 591 HB3 SER 101 HB3 SER 101 -7.515 -5.034 3.482 592 HG SER 101 HG SER 101 -9.284 -6.236 2.562 593 H TRP 102 H TRP 102 -7.638 -4.702 -0.563 594 HA TRP 102 HA TRP 102 -7.868 -1.937 -0.823 595 HB2 TRP 102 HB2 TRP 102 -9.331 -4.294 -1.915 596 HB3 TRP 102 HB3 TRP 102 -10.158 -2.721 -2.012 597 HD1 TRP 102 HD1 TRP 102 -8.168 -4.800 -3.924 598 HE1 TRP 102 HE1 TRP 102 -6.823 -3.488 -5.865 599 HE3 TRP 102 HE3 TRP 102 -8.684 -0.079 -2.111 600 HZ2 TRP 102 HZ2 TRP 102 -6.189 -0.848 -6.380 601 HZ3 TRP 102 HZ3 TRP 102 -7.726 1.790 -3.305 602 HH2 TRP 102 HH2 TRP 102 -6.493 1.479 -5.408 603 H GLU 103 H GLU 103 -9.712 -4.210 1.102 604 HA GLU 103 HA GLU 103 -11.760 -2.382 1.863 605 HB2 GLU 103 HB2 GLU 103 -10.772 -4.964 3.029 606 HB3 GLU 103 HB3 GLU 103 -12.088 -4.018 3.767 607 HG2 GLU 103 HG2 GLU 103 -12.158 -5.247 0.943 608 HG3 GLU 103 HG3 GLU 103 -12.919 -5.817 2.447 609 H PHE 104 H PHE 104 -8.621 -3.269 3.193 610 HA PHE 104 HA PHE 104 -8.781 -1.671 5.526 611 HB2 PHE 104 HB2 PHE 104 -7.082 -3.433 5.294 612 HB3 PHE 104 HB3 PHE 104 -6.328 -2.536 3.958 613 HD1 PHE 104 HD1 PHE 104 -7.065 -2.456 7.581 614 HD2 PHE 104 HD2 PHE 104 -4.796 -0.825 4.350 615 HE1 PHE 104 HE1 PHE 104 -5.623 -1.264 9.198 616 HE2 PHE 104 HE2 PHE 104 -3.350 0.366 5.963 617 HZ PHE 104 HZ PHE 104 -3.767 0.148 8.388 618 H ILE 105 H ILE 105 -7.536 -1.048 2.265 619 HA ILE 105 HA ILE 105 -6.675 1.584 2.664 620 HB ILE 105 HB ILE 105 -7.722 0.196 0.188 621 HG12 ILE 105 HG12 ILE 105 -4.947 1.086 0.914 622 HG13 ILE 105 HG13 ILE 105 -5.599 -0.534 1.252 623 HG21 ILE 105 HG21 ILE 105 -6.830 2.115 -1.088 624 HG22 ILE 105 HG22 ILE 105 -8.148 2.624 -0.006 625 HG23 ILE 105 HG23 ILE 105 -6.457 2.955 0.435 626 HD11 ILE 105 HD11 ILE 105 -4.249 -0.530 -0.809 627 HD12 ILE 105 HD12 ILE 105 -5.956 -0.894 -1.160 628 HD13 ILE 105 HD13 ILE 105 -5.304 0.726 -1.498 629 H LYS 106 H LYS 106 -9.850 0.322 1.710 630 HA LYS 106 HA LYS 106 -11.159 2.807 1.497 631 HB2 LYS 106 HB2 LYS 106 -12.126 0.029 2.082 632 HB3 LYS 106 HB3 LYS 106 -13.230 1.422 2.013 633 HG2 LYS 106 HG2 LYS 106 -12.840 1.767 -0.288 634 HG3 LYS 106 HG3 LYS 106 -11.372 0.759 -0.276 635 HD2 LYS 106 HD2 LYS 106 -13.183 -0.450 -1.360 636 HD3 LYS 106 HD3 LYS 106 -12.772 -1.234 0.185 637 HE2 LYS 106 HE2 LYS 106 -14.667 -0.163 1.272 638 HE3 LYS 106 HE3 LYS 106 -15.050 0.728 -0.218 639 HZ1 LYS 106 HZ1 LYS 106 -16.448 -1.206 0.046 640 HZ2 LYS 106 HZ2 LYS 106 -15.492 -1.378 -1.286 641 HZ3 LYS 106 HZ3 LYS 106 -15.136 -2.204 0.096 642 H ASN 107 H ASN 107 -10.633 0.631 4.230 643 HA ASN 107 HA ASN 107 -12.190 2.042 6.111 644 HB2 ASN 107 HB2 ASN 107 -9.836 0.118 6.722 645 HB3 ASN 107 HB3 ASN 107 -10.895 1.154 7.712 646 HD21 ASN 107 HD21 ASN 107 -10.560 -1.792 7.517 647 HD22 ASN 107 HD22 ASN 107 -12.153 -2.410 7.232 648 H ARG 108 H ARG 108 -8.880 2.414 5.002 649 HA ARG 108 HA ARG 108 -8.060 4.273 6.977 650 HB2 ARG 108 HB2 ARG 108 -6.986 3.598 4.304 651 HB3 ARG 108 HB3 ARG 108 -6.331 4.928 5.286 652 HG2 ARG 108 HG2 ARG 108 -6.553 2.061 6.243 653 HG3 ARG 108 HG3 ARG 108 -5.092 2.748 5.491 654 HD2 ARG 108 HD2 ARG 108 -6.381 3.845 7.963 655 HD3 ARG 108 HD3 ARG 108 -5.084 2.628 7.965 656 HE ARG 108 HE ARG 108 -3.972 4.842 6.582 657 HH11 ARG 108 HH11 ARG 108 -5.467 4.446 9.706 658 HH12 ARG 108 HH12 ARG 108 -4.462 5.726 10.356 659 HH21 ARG 108 HH21 ARG 108 -2.821 6.316 7.308 660 HH22 ARG 108 HH22 ARG 108 -2.953 6.794 8.990 661 H LEU 109 H LEU 109 -9.443 4.643 3.735 662 HA LEU 109 HA LEU 109 -9.459 7.463 3.696 663 HB2 LEU 109 HB2 LEU 109 -11.091 5.390 2.434 664 HB3 LEU 109 HB3 LEU 109 -11.375 7.080 1.959 665 HG LEU 109 HG LEU 109 -8.734 5.602 1.659 666 HD11 LEU 109 HD11 LEU 109 -9.255 5.607 -0.796 667 HD12 LEU 109 HD12 LEU 109 -10.475 4.692 0.123 668 HD13 LEU 109 HD13 LEU 109 -10.837 6.341 -0.442 669 HD21 LEU 109 HD21 LEU 109 -8.089 7.540 0.268 670 HD22 LEU 109 HD22 LEU 109 -9.648 8.310 0.649 671 HD23 LEU 109 HD23 LEU 109 -8.471 7.994 1.946 672 H LYS 110 H LYS 110 -11.689 5.083 4.998 673 HA LYS 110 HA LYS 110 -13.786 6.891 5.619 674 HB2 LYS 110 HB2 LYS 110 -13.037 4.183 6.675 675 HB3 LYS 110 HB3 LYS 110 -14.449 5.089 7.269 676 HG2 LYS 110 HG2 LYS 110 -15.444 5.073 5.050 677 HG3 LYS 110 HG3 LYS 110 -14.001 4.277 4.378 678 HD2 LYS 110 HD2 LYS 110 -14.413 2.306 5.770 679 HD3 LYS 110 HD3 LYS 110 -15.824 3.103 6.504 680 HE2 LYS 110 HE2 LYS 110 -16.905 3.216 4.294 681 HE3 LYS 110 HE3 LYS 110 -15.501 2.398 3.571 682 HZ1 LYS 110 HZ1 LYS 110 -17.290 0.861 4.023 683 HZ2 LYS 110 HZ2 LYS 110 -15.980 0.494 4.955 684 HZ3 LYS 110 HZ3 LYS 110 -17.282 1.252 5.625 685 H GLU 111 H GLU 111 -10.866 5.893 7.280 686 HA GLU 111 HA GLU 111 -11.485 7.183 9.752 687 HB2 GLU 111 HB2 GLU 111 -8.931 6.201 8.519 688 HB3 GLU 111 HB3 GLU 111 -8.978 7.029 10.094 689 HG2 GLU 111 HG2 GLU 111 -10.479 5.186 10.980 690 HG3 GLU 111 HG3 GLU 111 -10.416 4.520 9.331 691 H LEU 112 H LEU 112 -10.055 8.179 6.728 692 HA LEU 112 HA LEU 112 -9.063 10.686 7.680 693 HB2 LEU 112 HB2 LEU 112 -9.713 9.577 5.051 694 HB3 LEU 112 HB3 LEU 112 -9.008 11.209 5.125 695 HG LEU 112 HG LEU 112 -7.696 8.638 6.090 696 HD11 LEU 112 HD11 LEU 112 -6.093 9.049 4.204 697 HD12 LEU 112 HD12 LEU 112 -7.757 8.845 3.605 698 HD13 LEU 112 HD13 LEU 112 -7.048 10.473 3.725 699 HD21 LEU 112 HD21 LEU 112 -5.697 10.040 6.461 700 HD22 LEU 112 HD22 LEU 112 -6.650 11.481 6.028 701 HD23 LEU 112 HD23 LEU 112 -7.078 10.531 7.471 702 H ASN 113 H ASN 113 -12.043 9.585 6.151 703 HA ASN 113 HA ASN 113 -13.120 12.300 6.188 704 HB2 ASN 113 HB2 ASN 113 -13.552 10.696 4.075 705 HB3 ASN 113 HB3 ASN 113 -14.378 9.873 5.421 706 HD21 ASN 113 HD21 ASN 113 -15.371 10.977 2.867 707 HD22 ASN 113 HD22 ASN 113 -16.645 12.066 3.302 708 H LEU 114 H LEU 114 -13.482 12.675 8.364 709 HA LEU 114 HA LEU 114 -15.535 10.975 9.618 710 HB2 LEU 114 HB2 LEU 114 -13.365 12.567 10.783 711 HB3 LEU 114 HB3 LEU 114 -14.540 11.757 11.846 712 HG LEU 114 HG LEU 114 -12.572 10.408 9.956 713 HD11 LEU 114 HD11 LEU 114 -11.546 9.538 12.075 714 HD12 LEU 114 HD12 LEU 114 -11.519 11.317 12.026 715 HD13 LEU 114 HD13 LEU 114 -12.735 10.472 13.015 716 HD21 LEU 114 HD21 LEU 114 -13.385 8.291 10.938 717 HD22 LEU 114 HD22 LEU 114 -14.610 9.205 11.851 718 HD23 LEU 114 HD23 LEU 114 -14.660 9.180 10.072 Start of MODEL 3 1 H1 GLY 29 H1 GLY 29 16.922 -6.131 -5.024 2 H2 GLY 29 H2 GLY 29 16.975 -5.820 -6.490 3 H3 GLY 29 H3 GLY 29 16.105 -6.934 -5.992 4 HA2 GLY 29 HA2 GLY 29 18.785 -7.204 -6.849 5 HA3 GLY 29 HA3 GLY 29 18.720 -7.569 -5.132 6 H SER 30 H SER 30 19.493 -9.454 -7.036 7 HA SER 30 HA SER 30 17.306 -10.967 -8.039 8 HB2 SER 30 HB2 SER 30 19.441 -10.980 -9.161 9 HB3 SER 30 HB3 SER 30 20.217 -11.682 -7.723 10 HG SER 30 HG SER 30 19.720 -13.248 -9.318 11 H GLU 31 H GLU 31 15.923 -11.822 -6.579 12 HA GLU 31 HA GLU 31 16.825 -14.239 -5.354 13 HB2 GLU 31 HB2 GLU 31 17.441 -12.654 -3.614 14 HB3 GLU 31 HB3 GLU 31 15.763 -12.060 -3.568 15 HG2 GLU 31 HG2 GLU 31 15.017 -14.348 -2.753 16 HG3 GLU 31 HG3 GLU 31 16.724 -14.817 -2.924 17 H GLU 32 H GLU 32 14.119 -12.455 -4.045 18 HA GLU 32 HA GLU 32 12.162 -14.267 -4.999 19 HB2 GLU 32 HB2 GLU 32 11.914 -12.855 -2.995 20 HB3 GLU 32 HB3 GLU 32 11.790 -11.431 -4.057 21 HG2 GLU 32 HG2 GLU 32 9.479 -11.996 -3.522 22 HG3 GLU 32 HG3 GLU 32 9.878 -12.589 -5.151 23 H LYS 33 H LYS 33 10.755 -14.139 -6.759 24 HA LYS 33 HA LYS 33 11.369 -12.257 -8.863 25 HB2 LYS 33 HB2 LYS 33 13.378 -13.655 -8.775 26 HB3 LYS 33 HB3 LYS 33 12.364 -15.093 -9.040 27 HG2 LYS 33 HG2 LYS 33 11.748 -14.315 -11.250 28 HG3 LYS 33 HG3 LYS 33 12.597 -12.775 -10.985 29 HD2 LYS 33 HD2 LYS 33 14.735 -13.990 -10.794 30 HD3 LYS 33 HD3 LYS 33 13.881 -15.525 -11.077 31 HE2 LYS 33 HE2 LYS 33 13.154 -14.702 -13.285 32 HE3 LYS 33 HE3 LYS 33 14.039 -13.185 -13.002 33 HZ1 LYS 33 HZ1 LYS 33 15.313 -14.724 -14.336 34 HZ2 LYS 33 HZ2 LYS 33 16.069 -14.467 -12.893 35 HZ3 LYS 33 HZ3 LYS 33 15.247 -15.873 -13.155 36 H GLU 34 H GLU 34 9.755 -12.426 -10.605 37 HA GLU 34 HA GLU 34 7.491 -13.699 -9.219 38 HB2 GLU 34 HB2 GLU 34 7.868 -10.771 -9.808 39 HB3 GLU 34 HB3 GLU 34 6.350 -11.505 -9.238 40 HG2 GLU 34 HG2 GLU 34 7.574 -12.218 -7.106 41 HG3 GLU 34 HG3 GLU 34 8.989 -11.427 -7.838 42 H GLU 35 H GLU 35 5.717 -14.174 -10.467 43 HA GLU 35 HA GLU 35 5.694 -13.191 -13.234 44 HB2 GLU 35 HB2 GLU 35 4.116 -15.368 -11.882 45 HB3 GLU 35 HB3 GLU 35 3.840 -14.819 -13.554 46 HG2 GLU 35 HG2 GLU 35 6.234 -15.542 -14.110 47 HG3 GLU 35 HG3 GLU 35 6.314 -16.044 -12.406 48 H LYS 36 H LYS 36 4.646 -11.300 -13.472 49 HA LYS 36 HA LYS 36 3.161 -10.343 -11.194 50 HB2 LYS 36 HB2 LYS 36 3.998 -9.007 -13.758 51 HB3 LYS 36 HB3 LYS 36 3.151 -8.187 -12.424 52 HG2 LYS 36 HG2 LYS 36 5.056 -8.755 -10.922 53 HG3 LYS 36 HG3 LYS 36 5.910 -9.454 -12.318 54 HD2 LYS 36 HD2 LYS 36 5.833 -7.266 -13.454 55 HD3 LYS 36 HD3 LYS 36 4.994 -6.570 -12.047 56 HE2 LYS 36 HE2 LYS 36 6.925 -7.083 -10.628 57 HE3 LYS 36 HE3 LYS 36 7.762 -7.815 -12.016 58 HZ1 LYS 36 HZ1 LYS 36 8.491 -5.561 -11.625 59 HZ2 LYS 36 HZ2 LYS 36 7.731 -5.663 -13.086 60 HZ3 LYS 36 HZ3 LYS 36 6.956 -4.986 -11.798 61 H LYS 37 H LYS 37 1.542 -12.188 -11.985 62 HA LYS 37 HA LYS 37 -0.381 -11.354 -13.932 63 HB2 LYS 37 HB2 LYS 37 0.040 -13.706 -13.278 64 HB3 LYS 37 HB3 LYS 37 -0.709 -13.351 -11.704 65 HG2 LYS 37 HG2 LYS 37 -2.424 -14.378 -12.950 66 HG3 LYS 37 HG3 LYS 37 -2.779 -12.636 -13.041 67 HD2 LYS 37 HD2 LYS 37 -1.099 -13.949 -15.165 68 HD3 LYS 37 HD3 LYS 37 -2.871 -14.107 -15.211 69 HE2 LYS 37 HE2 LYS 37 -3.092 -11.659 -15.168 70 HE3 LYS 37 HE3 LYS 37 -1.320 -11.500 -15.124 71 HZ1 LYS 37 HZ1 LYS 37 -2.183 -11.221 -17.347 72 HZ2 LYS 37 HZ2 LYS 37 -1.237 -12.571 -17.274 73 HZ3 LYS 37 HZ3 LYS 37 -2.879 -12.716 -17.314 74 H VAL 38 H VAL 38 -0.941 -9.216 -13.303 75 HA VAL 38 HA VAL 38 -2.705 -8.905 -11.044 76 HB VAL 38 HB VAL 38 -1.283 -7.181 -9.912 77 HG11 VAL 38 HG11 VAL 38 0.181 -8.813 -8.768 78 HG12 VAL 38 HG12 VAL 38 -1.445 -9.486 -9.030 79 HG13 VAL 38 HG13 VAL 38 -0.096 -9.982 -10.080 80 HG21 VAL 38 HG21 VAL 38 1.122 -7.168 -10.349 81 HG22 VAL 38 HG22 VAL 38 0.877 -8.279 -11.719 82 HG23 VAL 38 HG23 VAL 38 0.182 -6.641 -11.765 83 H ARG 39 H ARG 39 -3.068 -6.415 -10.689 84 HA ARG 39 HA ARG 39 -3.500 -5.221 -13.312 85 HB2 ARG 39 HB2 ARG 39 -4.406 -4.217 -10.664 86 HB3 ARG 39 HB3 ARG 39 -4.841 -3.584 -12.268 87 HG2 ARG 39 HG2 ARG 39 -5.493 -6.367 -11.251 88 HG3 ARG 39 HG3 ARG 39 -6.621 -4.990 -11.256 89 HD2 ARG 39 HD2 ARG 39 -5.353 -6.237 -13.674 90 HD3 ARG 39 HD3 ARG 39 -7.006 -6.531 -13.085 91 HE ARG 39 HE ARG 39 -6.185 -4.099 -14.595 92 HH11 ARG 39 HH11 ARG 39 -8.623 -5.585 -12.593 93 HH12 ARG 39 HH12 ARG 39 -9.801 -4.413 -13.148 94 HH21 ARG 39 HH21 ARG 39 -7.525 -2.756 -15.247 95 HH22 ARG 39 HH22 ARG 39 -9.177 -2.799 -14.664 96 H GLU 40 H GLU 40 -3.045 -2.831 -13.544 97 HA GLU 40 HA GLU 40 -0.188 -2.761 -13.350 98 HB2 GLU 40 HB2 GLU 40 -0.278 -0.859 -14.787 99 HB3 GLU 40 HB3 GLU 40 -1.379 -2.124 -15.381 100 HG2 GLU 40 HG2 GLU 40 -3.324 -0.801 -14.341 101 HG3 GLU 40 HG3 GLU 40 -2.064 0.369 -13.882 102 H LEU 41 H LEU 41 0.707 -0.338 -13.044 103 HA LEU 41 HA LEU 41 -0.202 0.475 -10.364 104 HB2 LEU 41 HB2 LEU 41 2.505 0.487 -11.656 105 HB3 LEU 41 HB3 LEU 41 2.156 1.465 -10.233 106 HG LEU 41 HG LEU 41 1.378 -0.854 -9.248 107 HD11 LEU 41 HD11 LEU 41 2.228 -1.690 -11.726 108 HD12 LEU 41 HD12 LEU 41 2.012 -2.710 -10.305 109 HD13 LEU 41 HD13 LEU 41 3.603 -2.054 -10.683 110 HD21 LEU 41 HD21 LEU 41 3.974 -1.190 -8.761 111 HD22 LEU 41 HD22 LEU 41 3.031 0.105 -8.024 112 HD23 LEU 41 HD23 LEU 41 4.037 0.437 -9.437 113 H THR 42 H THR 42 -1.791 1.880 -11.310 114 HA THR 42 HA THR 42 -0.957 4.034 -13.027 115 HB THR 42 HB THR 42 -3.255 4.833 -12.888 116 HG1 THR 42 HG1 THR 42 -4.722 3.589 -11.526 117 HG21 THR 42 HG21 THR 42 -4.415 2.825 -13.741 118 HG22 THR 42 HG22 THR 42 -2.771 2.950 -14.411 119 HG23 THR 42 HG23 THR 42 -3.110 1.800 -13.097 120 HA PRO 43 HA PRO 43 0.021 7.178 -10.050 121 HB2 PRO 43 HB2 PRO 43 -1.103 9.377 -11.245 122 HB3 PRO 43 HB3 PRO 43 0.435 8.663 -11.751 123 HG2 PRO 43 HG2 PRO 43 -2.336 8.249 -12.919 124 HG3 PRO 43 HG3 PRO 43 -0.803 8.519 -13.760 125 HD2 PRO 43 HD2 PRO 43 -1.823 6.008 -13.528 126 HD3 PRO 43 HD3 PRO 43 -0.077 6.270 -13.438 127 H GLN 44 H GLN 44 -3.295 6.730 -11.131 128 HA GLN 44 HA GLN 44 -4.512 8.170 -8.997 129 HB2 GLN 44 HB2 GLN 44 -5.642 7.667 -11.114 130 HB3 GLN 44 HB3 GLN 44 -5.617 5.938 -10.693 131 HG2 GLN 44 HG2 GLN 44 -7.965 6.762 -9.968 132 HG3 GLN 44 HG3 GLN 44 -6.727 6.471 -8.723 133 HE21 GLN 44 HE21 GLN 44 -7.838 7.808 -7.246 134 HE22 GLN 44 HE22 GLN 44 -7.814 9.534 -7.390 135 H GLU 45 H GLU 45 -3.807 4.734 -9.543 136 HA GLU 45 HA GLU 45 -4.998 3.819 -7.147 137 HB2 GLU 45 HB2 GLU 45 -2.948 2.634 -8.993 138 HB3 GLU 45 HB3 GLU 45 -3.526 1.790 -7.535 139 HG2 GLU 45 HG2 GLU 45 -5.862 1.780 -8.478 140 HG3 GLU 45 HG3 GLU 45 -5.211 2.774 -9.800 141 H LEU 46 H LEU 46 -1.832 5.071 -7.921 142 HA LEU 46 HA LEU 46 -0.616 4.098 -5.491 143 HB2 LEU 46 HB2 LEU 46 0.211 5.929 -7.623 144 HB3 LEU 46 HB3 LEU 46 1.367 5.540 -6.328 145 HG LEU 46 HG LEU 46 0.155 3.586 -8.322 146 HD11 LEU 46 HD11 LEU 46 2.514 3.378 -9.151 147 HD12 LEU 46 HD12 LEU 46 1.921 5.049 -9.301 148 HD13 LEU 46 HD13 LEU 46 3.020 4.609 -7.971 149 HD21 LEU 46 HD21 LEU 46 1.672 1.919 -7.310 150 HD22 LEU 46 HD22 LEU 46 2.156 3.124 -6.093 151 HD23 LEU 46 HD23 LEU 46 0.474 2.547 -6.155 152 H GLU 47 H GLU 47 -1.759 7.199 -6.755 153 HA GLU 47 HA GLU 47 -0.811 8.740 -4.563 154 HB2 GLU 47 HB2 GLU 47 -2.842 9.277 -6.709 155 HB3 GLU 47 HB3 GLU 47 -2.420 10.467 -5.454 156 HG2 GLU 47 HG2 GLU 47 -0.044 10.497 -6.298 157 HG3 GLU 47 HG3 GLU 47 -0.545 9.197 -7.404 158 H LEU 48 H LEU 48 -3.940 7.304 -5.374 159 HA LEU 48 HA LEU 48 -5.378 8.351 -3.186 160 HB2 LEU 48 HB2 LEU 48 -7.084 6.864 -3.760 161 HB3 LEU 48 HB3 LEU 48 -6.277 7.231 -5.284 162 HG LEU 48 HG LEU 48 -4.993 5.034 -4.891 163 HD11 LEU 48 HD11 LEU 48 -5.483 3.784 -3.127 164 HD12 LEU 48 HD12 LEU 48 -7.201 3.822 -3.519 165 HD13 LEU 48 HD13 LEU 48 -6.495 5.097 -2.526 166 HD21 LEU 48 HD21 LEU 48 -7.948 4.819 -5.428 167 HD22 LEU 48 HD22 LEU 48 -6.654 3.799 -6.060 168 HD23 LEU 48 HD23 LEU 48 -6.790 5.477 -6.585 169 H PHE 49 H PHE 49 -3.219 5.634 -3.514 170 HA PHE 49 HA PHE 49 -3.890 4.302 -1.111 171 HB2 PHE 49 HB2 PHE 49 -2.585 3.175 -2.850 172 HB3 PHE 49 HB3 PHE 49 -1.260 4.339 -2.632 173 HD1 PHE 49 HD1 PHE 49 -3.020 1.461 -1.205 174 HD2 PHE 49 HD2 PHE 49 0.233 4.197 -0.779 175 HE1 PHE 49 HE1 PHE 49 -2.002 -0.017 0.494 176 HE2 PHE 49 HE2 PHE 49 1.256 2.719 0.919 177 HZ PHE 49 HZ PHE 49 0.137 0.612 1.557 178 H LYS 50 H LYS 50 -1.181 6.502 -1.848 179 HA LYS 50 HA LYS 50 -0.305 6.733 0.825 180 HB2 LYS 50 HB2 LYS 50 1.103 8.484 0.098 181 HB3 LYS 50 HB3 LYS 50 1.063 7.228 -1.163 182 HG2 LYS 50 HG2 LYS 50 -0.502 8.582 -2.482 183 HG3 LYS 50 HG3 LYS 50 -0.502 9.832 -1.215 184 HD2 LYS 50 HD2 LYS 50 1.928 10.152 -1.552 185 HD3 LYS 50 HD3 LYS 50 1.895 8.935 -2.849 186 HE2 LYS 50 HE2 LYS 50 0.288 10.331 -4.098 187 HE3 LYS 50 HE3 LYS 50 0.370 11.557 -2.813 188 HZ1 LYS 50 HZ1 LYS 50 1.812 12.101 -4.656 189 HZ2 LYS 50 HZ2 LYS 50 2.710 11.816 -3.301 190 HZ3 LYS 50 HZ3 LYS 50 2.631 10.679 -4.493 191 H ARG 51 H ARG 51 -2.734 8.412 -1.030 192 HA ARG 51 HA ARG 51 -3.132 10.597 0.718 193 HB2 ARG 51 HB2 ARG 51 -3.918 10.601 -1.538 194 HB3 ARG 51 HB3 ARG 51 -5.111 9.350 -1.118 195 HG2 ARG 51 HG2 ARG 51 -6.167 10.904 0.478 196 HG3 ARG 51 HG3 ARG 51 -4.985 12.157 0.028 197 HD2 ARG 51 HD2 ARG 51 -6.991 10.896 -1.813 198 HD3 ARG 51 HD3 ARG 51 -7.155 12.475 -1.011 199 HE ARG 51 HE ARG 51 -5.504 12.008 -3.432 200 HH11 ARG 51 HH11 ARG 51 -6.079 14.118 -0.715 201 HH12 ARG 51 HH12 ARG 51 -5.272 15.428 -1.555 202 HH21 ARG 51 HH21 ARG 51 -4.587 13.502 -4.411 203 HH22 ARG 51 HH22 ARG 51 -4.421 15.078 -3.662 204 H ALA 52 H ALA 52 -4.859 7.493 0.421 205 HA ALA 52 HA ALA 52 -6.471 7.877 2.720 206 HB1 ALA 52 HB1 ALA 52 -6.954 5.473 2.525 207 HB2 ALA 52 HB2 ALA 52 -7.115 6.315 0.983 208 HB3 ALA 52 HB3 ALA 52 -5.687 5.331 1.306 209 H MET 53 H MET 53 -3.311 6.416 2.192 210 HA MET 53 HA MET 53 -3.115 5.158 4.725 211 HB2 MET 53 HB2 MET 53 -1.801 4.556 2.725 212 HB3 MET 53 HB3 MET 53 -0.897 6.078 2.910 213 HG2 MET 53 HG2 MET 53 0.400 4.223 3.803 214 HG3 MET 53 HG3 MET 53 -0.093 5.324 5.111 215 HE1 MET 53 HE1 MET 53 -1.803 1.093 4.334 216 HE2 MET 53 HE2 MET 53 -1.983 2.417 3.157 217 HE3 MET 53 HE3 MET 53 -0.365 1.782 3.542 218 H GLY 54 H GLY 54 -2.506 8.390 3.593 219 HA2 GLY 54 HA2 GLY 54 -2.237 10.305 4.887 220 HA3 GLY 54 HA3 GLY 54 -2.092 9.289 6.315 221 H ILE 55 H ILE 55 -0.173 8.954 3.384 222 HA ILE 55 HA ILE 55 2.232 8.951 4.956 223 HB ILE 55 HB ILE 55 1.803 8.708 1.965 224 HG12 ILE 55 HG12 ILE 55 2.594 6.644 4.000 225 HG13 ILE 55 HG13 ILE 55 0.934 6.914 3.421 226 HG21 ILE 55 HG21 ILE 55 4.164 7.985 1.878 227 HG22 ILE 55 HG22 ILE 55 4.029 9.661 2.458 228 HG23 ILE 55 HG23 ILE 55 4.337 8.341 3.612 229 HD11 ILE 55 HD11 ILE 55 1.990 5.027 2.241 230 HD12 ILE 55 HD12 ILE 55 1.642 6.370 1.126 231 HD13 ILE 55 HD13 ILE 55 3.303 6.099 1.705 232 H THR 56 H THR 56 3.623 10.569 5.281 233 HA THR 56 HA THR 56 3.060 13.119 3.914 234 HB THR 56 HB THR 56 3.869 14.288 5.881 235 HG1 THR 56 HG1 THR 56 4.414 11.654 6.838 236 HG21 THR 56 HG21 THR 56 2.155 13.590 7.517 237 HG22 THR 56 HG22 THR 56 1.496 13.601 5.863 238 HG23 THR 56 HG23 THR 56 1.937 12.060 6.635 239 HA PRO 57 HA PRO 57 7.115 13.486 2.259 240 HB2 PRO 57 HB2 PRO 57 7.287 16.209 3.479 241 HB3 PRO 57 HB3 PRO 57 7.473 15.713 1.790 242 HG2 PRO 57 HG2 PRO 57 5.219 16.918 2.576 243 HG3 PRO 57 HG3 PRO 57 5.141 15.576 1.429 244 HD2 PRO 57 HD2 PRO 57 4.546 15.560 4.419 245 HD3 PRO 57 HD3 PRO 57 3.678 14.745 3.112 246 H HIS 58 H HIS 58 6.551 13.821 5.629 247 HA HIS 58 HA HIS 58 9.324 13.976 6.392 248 HB2 HIS 58 HB2 HIS 58 6.825 13.430 8.033 249 HB3 HIS 58 HB3 HIS 58 8.458 13.615 8.713 250 HD1 HIS 58 HD1 HIS 58 9.618 16.040 7.945 251 HD2 HIS 58 HD2 HIS 58 5.409 15.850 7.990 252 HE1 HIS 58 HE1 HIS 58 8.842 18.348 8.149 253 H ASN 59 H ASN 59 6.854 11.467 6.156 254 HA ASN 59 HA ASN 59 8.956 9.457 6.633 255 HB2 ASN 59 HB2 ASN 59 7.223 7.936 7.651 256 HB3 ASN 59 HB3 ASN 59 7.320 9.639 8.158 257 HD21 ASN 59 HD21 ASN 59 5.130 8.040 8.686 258 HD22 ASN 59 HD22 ASN 59 3.770 8.629 7.790 259 H TYR 60 H TYR 60 7.881 10.910 4.140 260 HA TYR 60 HA TYR 60 6.633 8.993 2.492 261 HB2 TYR 60 HB2 TYR 60 6.612 11.349 1.965 262 HB3 TYR 60 HB3 TYR 60 8.383 11.338 1.774 263 HD1 TYR 60 HD1 TYR 60 5.216 10.006 0.329 264 HD2 TYR 60 HD2 TYR 60 9.369 10.742 -0.298 265 HE1 TYR 60 HE1 TYR 60 4.948 9.433 -2.066 266 HE2 TYR 60 HE2 TYR 60 9.120 10.173 -2.689 267 HH TYR 60 HH TYR 60 7.694 9.521 -4.342 268 H TRP 61 H TRP 61 10.050 9.934 2.817 269 HA TRP 61 HA TRP 61 11.083 8.057 1.000 270 HB2 TRP 61 HB2 TRP 61 13.258 8.502 2.008 271 HB3 TRP 61 HB3 TRP 61 12.349 10.029 1.909 272 HD1 TRP 61 HD1 TRP 61 11.638 11.114 4.040 273 HE1 TRP 61 HE1 TRP 61 12.389 10.854 6.625 274 HE3 TRP 61 HE3 TRP 61 14.007 6.632 3.668 275 HZ2 TRP 61 HZ2 TRP 61 13.768 8.961 8.090 276 HZ3 TRP 61 HZ3 TRP 61 15.018 5.628 5.620 277 HH2 TRP 61 HH2 TRP 61 14.932 6.718 7.821 278 H GLN 62 H GLN 62 10.142 7.794 4.355 279 HA GLN 62 HA GLN 62 11.304 5.259 4.863 280 HB2 GLN 62 HB2 GLN 62 8.953 6.689 6.079 281 HB3 GLN 62 HB3 GLN 62 9.543 5.112 6.654 282 HG2 GLN 62 HG2 GLN 62 11.876 6.392 7.200 283 HG3 GLN 62 HG3 GLN 62 10.872 7.671 6.478 284 HE21 GLN 62 HE21 GLN 62 12.084 7.885 9.007 285 HE22 GLN 62 HE22 GLN 62 10.842 7.927 10.213 286 H TRP 63 H TRP 63 8.077 6.250 3.766 287 HA TRP 63 HA TRP 63 7.122 3.581 3.435 288 HB2 TRP 63 HB2 TRP 63 6.126 6.313 2.694 289 HB3 TRP 63 HB3 TRP 63 5.408 4.898 1.889 290 HD1 TRP 63 HD1 TRP 63 5.629 6.670 5.107 291 HE1 TRP 63 HE1 TRP 63 3.778 5.694 6.818 292 HE3 TRP 63 HE3 TRP 63 4.137 2.660 2.363 293 HZ2 TRP 63 HZ2 TRP 63 2.046 3.541 6.822 294 HZ3 TRP 63 HZ3 TRP 63 2.422 1.179 3.210 295 HH2 TRP 63 HH2 TRP 63 1.356 1.560 5.390 296 H ALA 64 H ALA 64 8.932 5.802 1.465 297 HA ALA 64 HA ALA 64 8.619 4.487 -1.021 298 HB1 ALA 64 HB1 ALA 64 10.765 5.648 -1.604 299 HB2 ALA 64 HB2 ALA 64 9.480 6.704 -1.017 300 HB3 ALA 64 HB3 ALA 64 10.808 6.253 0.052 301 H SER 65 H SER 65 10.908 4.092 1.644 302 HA SER 65 HA SER 65 12.343 1.976 0.311 303 HB2 SER 65 HB2 SER 65 13.619 1.789 2.343 304 HB3 SER 65 HB3 SER 65 13.447 3.500 1.892 305 HG SER 65 HG SER 65 13.074 3.127 4.120 306 H ARG 66 H ARG 66 9.611 2.258 2.411 307 HA ARG 66 HA ARG 66 9.545 -0.446 3.301 308 HB2 ARG 66 HB2 ARG 66 8.429 1.214 4.538 309 HB3 ARG 66 HB3 ARG 66 7.359 1.564 3.162 310 HG2 ARG 66 HG2 ARG 66 6.573 -0.845 3.324 311 HG3 ARG 66 HG3 ARG 66 7.449 -0.934 4.871 312 HD2 ARG 66 HD2 ARG 66 5.249 1.005 4.236 313 HD3 ARG 66 HD3 ARG 66 5.051 -0.534 5.107 314 HE ARG 66 HE ARG 66 6.136 1.938 6.334 315 HH11 ARG 66 HH11 ARG 66 5.932 -1.534 6.586 316 HH12 ARG 66 HH12 ARG 66 6.326 -1.439 8.292 317 HH21 ARG 66 HH21 ARG 66 6.581 2.064 8.287 318 HH22 ARG 66 HH22 ARG 66 6.696 0.612 9.263 319 H THR 67 H THR 67 8.046 1.291 0.597 320 HA THR 67 HA THR 67 6.633 -1.147 -0.188 321 HB THR 67 HB THR 67 5.364 0.301 -1.743 322 HG1 THR 67 HG1 THR 67 6.944 2.382 -0.577 323 HG21 THR 67 HG21 THR 67 4.161 1.602 -0.020 324 HG22 THR 67 HG22 THR 67 4.553 -0.032 0.569 325 HG23 THR 67 HG23 THR 67 5.519 1.364 1.107 326 H ASN 68 H ASN 68 9.594 -0.203 -0.683 327 HA ASN 68 HA ASN 68 11.161 -0.368 -2.328 328 HB2 ASN 68 HB2 ASN 68 10.072 -2.883 -2.344 329 HB3 ASN 68 HB3 ASN 68 9.317 -2.011 -3.700 330 HD21 ASN 68 HD21 ASN 68 10.307 -3.924 -4.792 331 HD22 ASN 68 HD22 ASN 68 11.918 -3.736 -5.399 332 H ASN 69 H ASN 69 10.110 1.897 -2.789 333 HA ASN 69 HA ASN 69 9.705 3.495 -4.358 334 HB2 ASN 69 HB2 ASN 69 11.328 1.833 -5.898 335 HB3 ASN 69 HB3 ASN 69 9.638 1.570 -6.393 336 HD21 ASN 69 HD21 ASN 69 10.551 2.289 -8.462 337 HD22 ASN 69 HD22 ASN 69 10.571 3.988 -8.799 338 H PHE 70 H PHE 70 7.567 1.995 -3.158 339 HA PHE 70 HA PHE 70 5.311 1.716 -3.321 340 HB2 PHE 70 HB2 PHE 70 5.628 3.924 -5.383 341 HB3 PHE 70 HB3 PHE 70 4.103 3.454 -4.599 342 HD1 PHE 70 HD1 PHE 70 3.849 3.768 -2.144 343 HD2 PHE 70 HD2 PHE 70 7.126 5.383 -4.357 344 HE1 PHE 70 HE1 PHE 70 4.294 5.366 -0.312 345 HE2 PHE 70 HE2 PHE 70 7.577 6.982 -2.526 346 HZ PHE 70 HZ PHE 70 6.162 6.972 -0.503 347 H LYS 71 H LYS 71 6.766 -0.148 -4.805 348 HA LYS 71 HA LYS 71 5.431 -0.512 -7.340 349 HB2 LYS 71 HB2 LYS 71 7.275 -2.264 -5.737 350 HB3 LYS 71 HB3 LYS 71 6.570 -2.738 -7.301 351 HG2 LYS 71 HG2 LYS 71 8.217 -0.221 -6.966 352 HG3 LYS 71 HG3 LYS 71 8.962 -1.799 -7.318 353 HD2 LYS 71 HD2 LYS 71 8.686 -0.968 -9.456 354 HD3 LYS 71 HD3 LYS 71 7.169 -1.875 -9.245 355 HE2 LYS 71 HE2 LYS 71 6.009 0.182 -8.606 356 HE3 LYS 71 HE3 LYS 71 7.524 1.100 -8.763 357 HZ1 LYS 71 HZ1 LYS 71 6.143 1.325 -10.715 358 HZ2 LYS 71 HZ2 LYS 71 7.545 0.542 -11.100 359 HZ3 LYS 71 HZ3 LYS 71 6.139 -0.307 -10.954 360 H LEU 72 H LEU 72 3.439 -0.216 -5.617 361 HA LEU 72 HA LEU 72 2.537 -2.673 -4.462 362 HB2 LEU 72 HB2 LEU 72 1.231 -0.136 -5.128 363 HB3 LEU 72 HB3 LEU 72 0.332 -1.359 -4.202 364 HG LEU 72 HG LEU 72 2.893 0.021 -3.307 365 HD11 LEU 72 HD11 LEU 72 1.415 1.149 -1.624 366 HD12 LEU 72 HD12 LEU 72 0.924 1.551 -3.285 367 HD13 LEU 72 HD13 LEU 72 0.002 0.350 -2.351 368 HD21 LEU 72 HD21 LEU 72 2.453 -1.067 -1.132 369 HD22 LEU 72 HD22 LEU 72 1.062 -1.912 -1.857 370 HD23 LEU 72 HD23 LEU 72 2.709 -2.238 -2.448 371 H LEU 73 H LEU 73 1.140 -4.170 -5.259 372 HA LEU 73 HA LEU 73 -0.142 -3.664 -7.844 373 HB2 LEU 73 HB2 LEU 73 0.939 -6.383 -7.446 374 HB3 LEU 73 HB3 LEU 73 0.761 -5.439 -8.923 375 HG LEU 73 HG LEU 73 2.748 -4.059 -7.802 376 HD11 LEU 73 HD11 LEU 73 2.570 -6.490 -6.241 377 HD12 LEU 73 HD12 LEU 73 3.539 -5.042 -5.972 378 HD13 LEU 73 HD13 LEU 73 4.142 -6.323 -7.025 379 HD21 LEU 73 HD21 LEU 73 4.270 -5.300 -9.205 380 HD22 LEU 73 HD22 LEU 73 2.714 -5.144 -10.025 381 HD23 LEU 73 HD23 LEU 73 3.161 -6.670 -9.258 382 H THR 74 H THR 74 -1.950 -5.066 -8.287 383 HA THR 74 HA THR 74 -2.914 -6.912 -6.341 384 HB THR 74 HB THR 74 -3.430 -4.824 -5.128 385 HG1 THR 74 HG1 THR 74 -5.687 -5.324 -4.877 386 HG21 THR 74 HG21 THR 74 -5.146 -3.298 -6.037 387 HG22 THR 74 HG22 THR 74 -3.710 -3.345 -7.089 388 HG23 THR 74 HG23 THR 74 -5.180 -4.236 -7.547 389 H ASP 75 H ASP 75 -4.847 -7.973 -6.998 390 HA ASP 75 HA ASP 75 -6.105 -7.086 -9.475 391 HB2 ASP 75 HB2 ASP 75 -4.269 -8.777 -10.128 392 HB3 ASP 75 HB3 ASP 75 -5.173 -9.839 -9.019 393 H GLY 76 H GLY 76 -7.966 -6.625 -8.320 394 HA2 GLY 76 HA2 GLY 76 -10.005 -7.060 -7.355 395 HA3 GLY 76 HA3 GLY 76 -9.791 -8.726 -7.868 396 H GLU 77 H GLU 77 -7.449 -7.220 -5.784 397 HA GLU 77 HA GLU 77 -8.472 -8.718 -3.487 398 HB2 GLU 77 HB2 GLU 77 -5.741 -9.082 -4.702 399 HB3 GLU 77 HB3 GLU 77 -6.225 -9.690 -3.101 400 HG2 GLU 77 HG2 GLU 77 -7.981 -11.145 -4.244 401 HG3 GLU 77 HG3 GLU 77 -7.394 -10.414 -5.755 402 H TRP 78 H TRP 78 -6.777 -8.378 -1.582 403 HA TRP 78 HA TRP 78 -6.304 -5.680 -1.030 404 HB2 TRP 78 HB2 TRP 78 -4.999 -6.414 0.810 405 HB3 TRP 78 HB3 TRP 78 -6.242 -7.643 0.588 406 HD1 TRP 78 HD1 TRP 78 -4.468 -8.900 -2.000 407 HE1 TRP 78 HE1 TRP 78 -2.549 -10.493 -1.367 408 HE3 TRP 78 HE3 TRP 78 -3.869 -7.545 2.893 409 HZ2 TRP 78 HZ2 TRP 78 -0.989 -11.095 0.907 410 HZ3 TRP 78 HZ3 TRP 78 -2.142 -8.678 4.228 411 HH2 TRP 78 HH2 TRP 78 -0.731 -10.417 3.253 412 H VAL 79 H VAL 79 -4.360 -4.453 -1.029 413 HA VAL 79 HA VAL 79 -2.663 -4.993 -3.322 414 HB VAL 79 HB VAL 79 -2.749 -2.627 -1.428 415 HG11 VAL 79 HG11 VAL 79 -1.274 -1.521 -3.075 416 HG12 VAL 79 HG12 VAL 79 -0.485 -2.951 -2.369 417 HG13 VAL 79 HG13 VAL 79 -1.178 -3.034 -4.006 418 HG21 VAL 79 HG21 VAL 79 -3.727 -1.447 -3.331 419 HG22 VAL 79 HG22 VAL 79 -3.719 -2.958 -4.271 420 HG23 VAL 79 HG23 VAL 79 -4.728 -2.822 -2.812 421 H TRP 80 H TRP 80 -0.535 -5.525 -3.272 422 HA TRP 80 HA TRP 80 0.820 -5.607 -0.670 423 HB2 TRP 80 HB2 TRP 80 1.764 -7.817 -1.142 424 HB3 TRP 80 HB3 TRP 80 -0.012 -7.901 -1.210 425 HD1 TRP 80 HD1 TRP 80 3.040 -8.187 -3.248 426 HE1 TRP 80 HE1 TRP 80 2.434 -9.241 -5.662 427 HE3 TRP 80 HE3 TRP 80 -2.024 -7.998 -2.878 428 HZ2 TRP 80 HZ2 TRP 80 0.101 -9.828 -7.021 429 HZ3 TRP 80 HZ3 TRP 80 -3.406 -8.788 -4.699 430 HH2 TRP 80 HH2 TRP 80 -2.423 -9.700 -6.757 431 H VAL 81 H VAL 81 3.160 -5.629 -0.816 432 HA VAL 81 HA VAL 81 4.064 -3.899 -2.942 433 HB VAL 81 HB VAL 81 5.544 -5.026 -0.548 434 HG11 VAL 81 HG11 VAL 81 7.259 -3.327 -1.079 435 HG12 VAL 81 HG12 VAL 81 7.082 -4.497 -2.409 436 HG13 VAL 81 HG13 VAL 81 6.358 -2.876 -2.545 437 HG21 VAL 81 HG21 VAL 81 5.330 -2.766 0.352 438 HG22 VAL 81 HG22 VAL 81 4.360 -2.294 -1.064 439 HG23 VAL 81 HG23 VAL 81 3.746 -3.523 0.068 440 H GLU 82 H GLU 82 5.124 -4.492 -4.724 441 HA GLU 82 HA GLU 82 5.675 -7.020 -5.601 442 HB2 GLU 82 HB2 GLU 82 5.850 -5.032 -6.984 443 HB3 GLU 82 HB3 GLU 82 7.317 -4.546 -6.099 444 HG2 GLU 82 HG2 GLU 82 8.484 -6.627 -6.997 445 HG3 GLU 82 HG3 GLU 82 6.931 -6.982 -7.788 446 H GLY 83 H GLY 83 7.051 -8.600 -5.079 447 HA2 GLY 83 HA2 GLY 83 9.228 -9.422 -4.610 448 HA3 GLY 83 HA3 GLY 83 9.607 -7.897 -3.823 449 H TYR 84 H TYR 84 6.878 -8.143 -2.450 450 HA TYR 84 HA TYR 84 7.772 -9.994 -0.343 451 HB2 TYR 84 HB2 TYR 84 5.923 -7.617 -0.201 452 HB3 TYR 84 HB3 TYR 84 6.274 -8.718 1.153 453 HD1 TYR 84 HD1 TYR 84 8.674 -8.876 1.980 454 HD2 TYR 84 HD2 TYR 84 7.372 -5.806 -0.678 455 HE1 TYR 84 HE1 TYR 84 10.661 -7.531 2.576 456 HE2 TYR 84 HE2 TYR 84 9.358 -4.446 -0.092 457 HH TYR 84 HH TYR 84 11.260 -4.316 1.139 458 H GLU 85 H GLU 85 6.237 -10.712 -2.801 459 HA GLU 85 HA GLU 85 3.787 -11.801 -1.981 460 HB2 GLU 85 HB2 GLU 85 5.923 -12.842 -3.819 461 HB3 GLU 85 HB3 GLU 85 4.372 -13.676 -3.557 462 HG2 GLU 85 HG2 GLU 85 3.160 -11.648 -4.470 463 HG3 GLU 85 HG3 GLU 85 4.768 -10.895 -4.581 464 H GLU 86 H GLU 86 7.021 -12.482 -0.975 465 HA GLU 86 HA GLU 86 6.622 -14.920 0.345 466 HB2 GLU 86 HB2 GLU 86 8.795 -13.862 0.099 467 HB3 GLU 86 HB3 GLU 86 8.281 -12.553 1.190 468 HG2 GLU 86 HG2 GLU 86 8.125 -14.217 3.083 469 HG3 GLU 86 HG3 GLU 86 8.514 -15.455 1.866 470 H HIS 87 H HIS 87 5.156 -11.904 0.841 471 HA HIS 87 HA HIS 87 4.490 -12.568 3.634 472 HB2 HIS 87 HB2 HIS 87 4.780 -9.843 2.320 473 HB3 HIS 87 HB3 HIS 87 4.133 -10.097 3.959 474 HD1 HIS 87 HD1 HIS 87 6.447 -8.349 3.935 475 HD2 HIS 87 HD2 HIS 87 6.967 -12.529 4.053 476 HE1 HIS 87 HE1 HIS 87 8.716 -8.723 4.759 477 H ILE 88 H ILE 88 3.025 -13.665 1.518 478 HA ILE 88 HA ILE 88 0.481 -12.193 1.727 479 HB ILE 88 HB ILE 88 1.371 -14.199 -0.365 480 HG12 ILE 88 HG12 ILE 88 0.642 -11.294 -0.611 481 HG13 ILE 88 HG13 ILE 88 2.300 -11.930 -0.512 482 HG21 ILE 88 HG21 ILE 88 -0.818 -13.764 -1.425 483 HG22 ILE 88 HG22 ILE 88 -1.021 -14.489 0.188 484 HG23 ILE 88 HG23 ILE 88 -1.286 -12.745 -0.043 485 HD11 ILE 88 HD11 ILE 88 1.663 -11.463 -2.846 486 HD12 ILE 88 HD12 ILE 88 1.936 -13.203 -2.590 487 HD13 ILE 88 HD13 ILE 88 0.277 -12.565 -2.689 488 H GLY 89 H GLY 89 -0.929 -13.014 3.119 489 HA2 GLY 89 HA2 GLY 89 -2.241 -14.648 4.152 490 HA3 GLY 89 HA3 GLY 89 -1.258 -15.887 3.387 491 H LYS 90 H LYS 90 0.451 -13.390 4.993 492 HA LYS 90 HA LYS 90 1.070 -15.255 7.185 493 HB2 LYS 90 HB2 LYS 90 2.654 -13.100 5.838 494 HB3 LYS 90 HB3 LYS 90 3.090 -13.695 7.458 495 HG2 LYS 90 HG2 LYS 90 4.437 -15.021 6.132 496 HG3 LYS 90 HG3 LYS 90 2.995 -16.051 6.294 497 HD2 LYS 90 HD2 LYS 90 2.173 -14.939 4.128 498 HD3 LYS 90 HD3 LYS 90 3.838 -14.339 3.946 499 HE2 LYS 90 HE2 LYS 90 4.681 -16.645 4.030 500 HE3 LYS 90 HE3 LYS 90 3.019 -17.248 4.220 501 HZ1 LYS 90 HZ1 LYS 90 3.768 -17.399 1.942 502 HZ2 LYS 90 HZ2 LYS 90 2.513 -16.335 2.056 503 HZ3 LYS 90 HZ3 LYS 90 4.054 -15.776 1.881 504 H GLN 91 H GLN 91 0.882 -14.634 9.287 505 HA GLN 91 HA GLN 91 -0.620 -12.219 9.829 506 HB2 GLN 91 HB2 GLN 91 -1.095 -14.424 10.897 507 HB3 GLN 91 HB3 GLN 91 0.442 -14.251 11.779 508 HG2 GLN 91 HG2 GLN 91 -0.670 -12.026 12.884 509 HG3 GLN 91 HG3 GLN 91 -1.934 -12.611 11.779 510 HE21 GLN 91 HE21 GLN 91 -2.311 -12.167 14.546 511 HE22 GLN 91 HE22 GLN 91 -2.628 -13.692 15.303 512 H LEU 92 H LEU 92 0.912 -10.604 9.339 513 HA LEU 92 HA LEU 92 3.185 -10.444 11.208 514 HB2 LEU 92 HB2 LEU 92 2.833 -9.361 8.503 515 HB3 LEU 92 HB3 LEU 92 4.325 -9.040 9.416 516 HG LEU 92 HG LEU 92 3.344 -11.751 8.440 517 HD11 LEU 92 HD11 LEU 92 5.387 -11.670 6.987 518 HD12 LEU 92 HD12 LEU 92 4.289 -10.314 6.635 519 HD13 LEU 92 HD13 LEU 92 5.751 -10.046 7.616 520 HD21 LEU 92 HD21 LEU 92 5.495 -12.619 9.292 521 HD22 LEU 92 HD22 LEU 92 5.854 -11.012 9.968 522 HD23 LEU 92 HD23 LEU 92 4.467 -11.945 10.580 523 HA PRO 93 HA PRO 93 1.555 -6.673 12.773 524 HB2 PRO 93 HB2 PRO 93 3.812 -5.402 13.597 525 HB3 PRO 93 HB3 PRO 93 3.149 -6.813 14.433 526 HG2 PRO 93 HG2 PRO 93 5.396 -6.687 12.391 527 HG3 PRO 93 HG3 PRO 93 5.342 -7.560 13.928 528 HD2 PRO 93 HD2 PRO 93 4.850 -8.840 11.563 529 HD3 PRO 93 HD3 PRO 93 4.001 -9.310 13.040 530 H LEU 94 H LEU 94 1.532 -4.342 12.461 531 HA LEU 94 HA LEU 94 1.467 -3.632 9.763 532 HB2 LEU 94 HB2 LEU 94 1.571 -2.095 12.252 533 HB3 LEU 94 HB3 LEU 94 1.291 -1.211 10.734 534 HG LEU 94 HG LEU 94 -0.498 -3.369 11.919 535 HD11 LEU 94 HD11 LEU 94 -2.132 -1.490 12.219 536 HD12 LEU 94 HD12 LEU 94 -0.633 -1.197 13.133 537 HD13 LEU 94 HD13 LEU 94 -0.916 -0.353 11.591 538 HD21 LEU 94 HD21 LEU 94 -2.056 -2.791 10.091 539 HD22 LEU 94 HD22 LEU 94 -0.834 -1.683 9.422 540 HD23 LEU 94 HD23 LEU 94 -0.506 -3.431 9.495 541 H ASN 95 H ASN 95 4.010 -3.367 12.140 542 HA ASN 95 HA ASN 95 5.701 -1.633 10.654 543 HB2 ASN 95 HB2 ASN 95 6.545 -3.528 12.960 544 HB3 ASN 95 HB3 ASN 95 7.404 -2.430 11.853 545 HD21 ASN 95 HD21 ASN 95 6.972 -2.414 14.796 546 HD22 ASN 95 HD22 ASN 95 6.320 -0.847 15.146 547 H GLN 96 H GLN 96 5.318 -5.133 10.816 548 HA GLN 96 HA GLN 96 7.437 -5.465 8.819 549 HB2 GLN 96 HB2 GLN 96 5.969 -7.529 10.451 550 HB3 GLN 96 HB3 GLN 96 7.310 -7.847 9.325 551 HG2 GLN 96 HG2 GLN 96 7.651 -6.349 12.067 552 HG3 GLN 96 HG3 GLN 96 8.000 -7.963 11.407 553 HE21 GLN 96 HE21 GLN 96 9.270 -4.958 12.075 554 HE22 GLN 96 HE22 GLN 96 10.636 -4.983 11.010 555 H ALA 97 H ALA 97 4.343 -4.745 8.693 556 HA ALA 97 HA ALA 97 3.384 -6.756 6.855 557 HB1 ALA 97 HB1 ALA 97 2.222 -4.142 7.797 558 HB2 ALA 97 HB2 ALA 97 1.421 -5.210 6.645 559 HB3 ALA 97 HB3 ALA 97 1.755 -5.772 8.283 560 H ARG 98 H ARG 98 3.211 -6.601 4.661 561 HA ARG 98 HA ARG 98 4.037 -4.086 3.386 562 HB2 ARG 98 HB2 ARG 98 4.983 -6.762 2.497 563 HB3 ARG 98 HB3 ARG 98 5.263 -5.203 1.689 564 HG2 ARG 98 HG2 ARG 98 6.197 -5.836 4.500 565 HG3 ARG 98 HG3 ARG 98 7.200 -6.074 3.049 566 HD2 ARG 98 HD2 ARG 98 6.940 -3.674 2.558 567 HD3 ARG 98 HD3 ARG 98 6.107 -3.496 4.121 568 HE ARG 98 HE ARG 98 9.057 -3.846 3.834 569 HH11 ARG 98 HH11 ARG 98 6.316 -3.804 5.990 570 HH12 ARG 98 HH12 ARG 98 7.389 -3.595 7.361 571 HH21 ARG 98 HH21 ARG 98 10.298 -3.598 5.391 572 HH22 ARG 98 HH22 ARG 98 9.661 -3.477 7.020 573 H ALA 99 H ALA 99 1.402 -5.062 3.877 574 HA ALA 99 HA ALA 99 0.326 -4.896 1.236 575 HB1 ALA 99 HB1 ALA 99 0.626 -7.146 0.905 576 HB2 ALA 99 HB2 ALA 99 0.425 -7.537 2.614 577 HB3 ALA 99 HB3 ALA 99 -0.982 -7.133 1.629 578 H TRP 100 H TRP 100 -1.821 -4.300 1.236 579 HA TRP 100 HA TRP 100 -3.266 -4.315 3.778 580 HB2 TRP 100 HB2 TRP 100 -2.820 -1.784 2.147 581 HB3 TRP 100 HB3 TRP 100 -3.832 -1.922 3.605 582 HD1 TRP 100 HD1 TRP 100 -2.735 -1.803 5.793 583 HE1 TRP 100 HE1 TRP 100 -0.235 -1.270 6.673 584 HE3 TRP 100 HE3 TRP 100 -0.290 -2.231 1.357 585 HZ2 TRP 100 HZ2 TRP 100 2.265 -1.108 5.510 586 HZ3 TRP 100 HZ3 TRP 100 2.100 -1.891 1.252 587 HH2 TRP 100 HH2 TRP 100 3.413 -1.340 3.255 588 H SER 101 H SER 101 -5.541 -4.038 3.567 589 HA SER 101 HA SER 101 -6.509 -5.150 1.078 590 HB2 SER 101 HB2 SER 101 -8.590 -5.496 2.233 591 HB3 SER 101 HB3 SER 101 -7.239 -6.038 3.253 592 HG SER 101 HG SER 101 -8.782 -4.801 4.407 593 H TRP 102 H TRP 102 -8.093 -4.237 -0.255 594 HA TRP 102 HA TRP 102 -8.265 -1.467 -0.573 595 HB2 TRP 102 HB2 TRP 102 -9.847 -3.806 -1.568 596 HB3 TRP 102 HB3 TRP 102 -10.557 -2.184 -1.743 597 HD1 TRP 102 HD1 TRP 102 -8.636 -4.508 -3.487 598 HE1 TRP 102 HE1 TRP 102 -7.230 -3.391 -5.507 599 HE3 TRP 102 HE3 TRP 102 -9.019 0.351 -2.046 600 HZ2 TRP 102 HZ2 TRP 102 -6.505 -0.818 -6.211 601 HZ3 TRP 102 HZ3 TRP 102 -7.988 2.095 -3.366 602 HH2 TRP 102 HH2 TRP 102 -6.742 1.586 -5.422 603 H GLU 103 H GLU 103 -10.075 -3.660 1.460 604 HA GLU 103 HA GLU 103 -12.126 -1.848 2.202 605 HB2 GLU 103 HB2 GLU 103 -10.989 -4.279 3.553 606 HB3 GLU 103 HB3 GLU 103 -12.358 -3.349 4.205 607 HG2 GLU 103 HG2 GLU 103 -12.333 -4.884 1.537 608 HG3 GLU 103 HG3 GLU 103 -13.134 -5.265 3.079 609 H PHE 104 H PHE 104 -8.922 -2.557 3.501 610 HA PHE 104 HA PHE 104 -9.023 -0.796 5.700 611 HB2 PHE 104 HB2 PHE 104 -7.240 -2.430 5.576 612 HB3 PHE 104 HB3 PHE 104 -6.666 -1.746 4.039 613 HD1 PHE 104 HD1 PHE 104 -6.894 -1.236 7.672 614 HD2 PHE 104 HD2 PHE 104 -5.299 0.185 3.972 615 HE1 PHE 104 HE1 PHE 104 -5.339 0.235 8.909 616 HE2 PHE 104 HE2 PHE 104 -3.742 1.656 5.205 617 HZ PHE 104 HZ PHE 104 -3.764 1.682 7.675 618 H ILE 105 H ILE 105 -7.845 -0.324 2.377 619 HA ILE 105 HA ILE 105 -7.152 2.367 2.574 620 HB ILE 105 HB ILE 105 -8.180 0.774 0.214 621 HG12 ILE 105 HG12 ILE 105 -5.426 1.802 0.827 622 HG13 ILE 105 HG13 ILE 105 -6.015 0.188 1.287 623 HG21 ILE 105 HG21 ILE 105 -7.373 2.637 -1.197 624 HG22 ILE 105 HG22 ILE 105 -8.691 3.168 -0.127 625 HG23 ILE 105 HG23 ILE 105 -7.006 3.584 0.263 626 HD11 ILE 105 HD11 ILE 105 -4.701 0.096 -0.795 627 HD12 ILE 105 HD12 ILE 105 -6.400 -0.348 -1.087 628 HD13 ILE 105 HD13 ILE 105 -5.810 1.266 -1.546 629 H LYS 106 H LYS 106 -10.274 0.869 1.830 630 HA LYS 106 HA LYS 106 -11.650 3.277 1.279 631 HB2 LYS 106 HB2 LYS 106 -12.557 0.535 2.092 632 HB3 LYS 106 HB3 LYS 106 -13.700 1.873 1.823 633 HG2 LYS 106 HG2 LYS 106 -13.198 1.995 -0.476 634 HG3 LYS 106 HG3 LYS 106 -11.699 1.055 -0.287 635 HD2 LYS 106 HD2 LYS 106 -13.398 -0.334 -1.330 636 HD3 LYS 106 HD3 LYS 106 -13.055 -0.935 0.310 637 HE2 LYS 106 HE2 LYS 106 -15.044 0.200 1.165 638 HE3 LYS 106 HE3 LYS 106 -15.377 0.862 -0.451 639 HZ1 LYS 106 HZ1 LYS 106 -16.708 -1.084 0.003 640 HZ2 LYS 106 HZ2 LYS 106 -15.669 -1.387 -1.242 641 HZ3 LYS 106 HZ3 LYS 106 -15.359 -2.001 0.257 642 H ASN 107 H ASN 107 -11.212 1.381 4.232 643 HA ASN 107 HA ASN 107 -12.940 2.824 5.897 644 HB2 ASN 107 HB2 ASN 107 -10.436 1.232 6.799 645 HB3 ASN 107 HB3 ASN 107 -11.653 2.230 7.631 646 HD21 ASN 107 HD21 ASN 107 -11.008 -0.657 7.766 647 HD22 ASN 107 HD22 ASN 107 -12.503 -1.475 7.459 648 H ARG 108 H ARG 108 -9.562 3.365 5.023 649 HA ARG 108 HA ARG 108 -9.171 5.548 6.815 650 HB2 ARG 108 HB2 ARG 108 -7.595 4.689 4.449 651 HB3 ARG 108 HB3 ARG 108 -7.167 6.040 5.523 652 HG2 ARG 108 HG2 ARG 108 -7.497 3.152 6.392 653 HG3 ARG 108 HG3 ARG 108 -5.941 3.946 6.052 654 HD2 ARG 108 HD2 ARG 108 -6.433 5.550 7.846 655 HD3 ARG 108 HD3 ARG 108 -7.898 4.614 8.225 656 HE ARG 108 HE ARG 108 -5.532 2.902 8.467 657 HH11 ARG 108 HH11 ARG 108 -7.196 5.484 10.115 658 HH12 ARG 108 HH12 ARG 108 -6.583 4.908 11.652 659 HH21 ARG 108 HH21 ARG 108 -4.813 2.234 10.217 660 HH22 ARG 108 HH22 ARG 108 -5.222 3.055 11.711 661 H LEU 109 H LEU 109 -10.171 5.250 3.453 662 HA LEU 109 HA LEU 109 -10.239 8.032 2.890 663 HB2 LEU 109 HB2 LEU 109 -11.600 5.675 1.820 664 HB3 LEU 109 HB3 LEU 109 -11.891 7.238 1.022 665 HG LEU 109 HG LEU 109 -9.206 5.831 1.287 666 HD11 LEU 109 HD11 LEU 109 -9.382 5.567 -1.201 667 HD12 LEU 109 HD12 LEU 109 -10.720 4.744 -0.366 668 HD13 LEU 109 HD13 LEU 109 -10.993 6.318 -1.151 669 HD21 LEU 109 HD21 LEU 109 -8.363 7.614 -0.201 670 HD22 LEU 109 HD22 LEU 109 -9.957 8.405 -0.125 671 HD23 LEU 109 HD23 LEU 109 -8.972 8.244 1.348 672 H LYS 110 H LYS 110 -12.536 5.773 4.299 673 HA LYS 110 HA LYS 110 -14.727 7.557 4.469 674 HB2 LYS 110 HB2 LYS 110 -13.942 5.140 6.068 675 HB3 LYS 110 HB3 LYS 110 -15.435 6.059 6.373 676 HG2 LYS 110 HG2 LYS 110 -16.250 5.561 4.137 677 HG3 LYS 110 HG3 LYS 110 -14.722 4.742 3.732 678 HD2 LYS 110 HD2 LYS 110 -15.154 3.050 5.453 679 HD3 LYS 110 HD3 LYS 110 -16.660 3.882 5.908 680 HE2 LYS 110 HE2 LYS 110 -17.548 3.499 3.642 681 HE3 LYS 110 HE3 LYS 110 -16.048 2.653 3.203 682 HZ1 LYS 110 HZ1 LYS 110 -17.790 1.116 3.808 683 HZ2 LYS 110 HZ2 LYS 110 -16.549 1.019 4.892 684 HZ3 LYS 110 HZ3 LYS 110 -17.941 1.805 5.299 685 H GLU 111 H GLU 111 -11.937 6.962 6.531 686 HA GLU 111 HA GLU 111 -12.715 8.699 8.637 687 HB2 GLU 111 HB2 GLU 111 -10.034 7.706 7.711 688 HB3 GLU 111 HB3 GLU 111 -10.250 8.752 9.135 689 HG2 GLU 111 HG2 GLU 111 -11.673 6.946 10.205 690 HG3 GLU 111 HG3 GLU 111 -11.453 6.052 8.684 691 H LEU 112 H LEU 112 -11.458 9.225 5.474 692 HA LEU 112 HA LEU 112 -10.746 11.991 6.046 693 HB2 LEU 112 HB2 LEU 112 -10.773 10.350 3.616 694 HB3 LEU 112 HB3 LEU 112 -10.179 12.025 3.536 695 HG LEU 112 HG LEU 112 -8.954 9.730 5.114 696 HD11 LEU 112 HD11 LEU 112 -7.015 10.056 3.556 697 HD12 LEU 112 HD12 LEU 112 -8.499 9.643 2.665 698 HD13 LEU 112 HD13 LEU 112 -7.929 11.329 2.711 699 HD21 LEU 112 HD21 LEU 112 -7.164 11.331 5.695 700 HD22 LEU 112 HD22 LEU 112 -8.087 12.626 4.894 701 HD23 LEU 112 HD23 LEU 112 -8.755 11.816 6.333 702 H ASN 113 H ASN 113 -13.533 10.343 5.505 703 HA ASN 113 HA ASN 113 -15.627 10.865 4.781 704 HB2 ASN 113 HB2 ASN 113 -14.926 13.843 5.267 705 HB3 ASN 113 HB3 ASN 113 -16.378 12.867 4.939 706 HD21 ASN 113 HD21 ASN 113 -14.356 14.149 7.289 707 HD22 ASN 113 HD22 ASN 113 -14.964 13.286 8.661 708 H LEU 114 H LEU 114 -13.669 10.458 2.762 709 HA LEU 114 HA LEU 114 -14.998 11.665 0.527 710 HB2 LEU 114 HB2 LEU 114 -13.679 13.414 1.138 711 HB3 LEU 114 HB3 LEU 114 -12.138 12.524 1.156 712 HG LEU 114 HG LEU 114 -12.546 12.070 -1.328 713 HD11 LEU 114 HD11 LEU 114 -14.027 13.731 -2.487 714 HD12 LEU 114 HD12 LEU 114 -14.953 12.717 -1.355 715 HD13 LEU 114 HD13 LEU 114 -14.510 14.381 -0.904 716 HD21 LEU 114 HD21 LEU 114 -11.636 14.264 -2.009 717 HD22 LEU 114 HD22 LEU 114 -12.071 14.920 -0.412 718 HD23 LEU 114 HD23 LEU 114 -10.858 13.624 -0.541 Start of MODEL 4 1 H1 GLY 29 H1 GLY 29 -9.120 -16.767 -6.670 2 H2 GLY 29 H2 GLY 29 -7.968 -17.042 -7.590 3 H3 GLY 29 H3 GLY 29 -8.476 -15.640 -7.421 4 HA2 GLY 29 HA2 GLY 29 -9.341 -17.474 -9.391 5 HA3 GLY 29 HA3 GLY 29 -10.690 -17.153 -8.312 6 H SER 30 H SER 30 -8.369 -15.624 -10.507 7 HA SER 30 HA SER 30 -9.994 -13.550 -11.396 8 HB2 SER 30 HB2 SER 30 -10.112 -12.872 -9.067 9 HB3 SER 30 HB3 SER 30 -8.337 -12.798 -8.991 10 HG SER 30 HG SER 30 -8.440 -11.154 -10.585 11 H GLU 31 H GLU 31 -8.914 -13.695 -13.308 12 HA GLU 31 HA GLU 31 -6.573 -12.045 -13.443 13 HB2 GLU 31 HB2 GLU 31 -5.116 -13.567 -14.573 14 HB3 GLU 31 HB3 GLU 31 -5.554 -14.204 -12.970 15 HG2 GLU 31 HG2 GLU 31 -7.300 -15.695 -14.200 16 HG3 GLU 31 HG3 GLU 31 -6.534 -15.034 -15.663 17 H GLU 32 H GLU 32 -6.269 -11.142 -15.484 18 HA GLU 32 HA GLU 32 -8.311 -11.719 -17.486 19 HB2 GLU 32 HB2 GLU 32 -6.168 -9.609 -17.377 20 HB3 GLU 32 HB3 GLU 32 -7.358 -9.788 -18.689 21 HG2 GLU 32 HG2 GLU 32 -9.209 -9.336 -16.986 22 HG3 GLU 32 HG3 GLU 32 -7.887 -9.203 -15.804 23 H LYS 33 H LYS 33 -7.056 -11.177 -19.829 24 HA LYS 33 HA LYS 33 -5.484 -13.581 -20.219 25 HB2 LYS 33 HB2 LYS 33 -7.283 -13.034 -21.758 26 HB3 LYS 33 HB3 LYS 33 -6.451 -11.519 -22.186 27 HG2 LYS 33 HG2 LYS 33 -4.575 -12.804 -23.120 28 HG3 LYS 33 HG3 LYS 33 -5.392 -14.323 -22.679 29 HD2 LYS 33 HD2 LYS 33 -7.268 -13.751 -24.164 30 HD3 LYS 33 HD3 LYS 33 -6.460 -12.225 -24.600 31 HE2 LYS 33 HE2 LYS 33 -4.548 -13.526 -25.492 32 HE3 LYS 33 HE3 LYS 33 -5.422 -15.029 -25.118 33 HZ1 LYS 33 HZ1 LYS 33 -5.689 -14.393 -27.419 34 HZ2 LYS 33 HZ2 LYS 33 -7.144 -14.330 -26.644 35 HZ3 LYS 33 HZ3 LYS 33 -6.332 -12.936 -26.990 36 H GLU 34 H GLU 34 -5.069 -10.214 -21.344 37 HA GLU 34 HA GLU 34 -2.543 -10.447 -22.337 38 HB2 GLU 34 HB2 GLU 34 -3.947 -8.465 -22.558 39 HB3 GLU 34 HB3 GLU 34 -3.643 -8.072 -20.850 40 HG2 GLU 34 HG2 GLU 34 -1.191 -7.737 -21.391 41 HG3 GLU 34 HG3 GLU 34 -1.616 -8.255 -23.039 42 H GLU 35 H GLU 35 -3.212 -9.152 -19.072 43 HA GLU 35 HA GLU 35 -0.783 -10.551 -18.158 44 HB2 GLU 35 HB2 GLU 35 -1.946 -7.948 -17.198 45 HB3 GLU 35 HB3 GLU 35 -0.658 -8.841 -16.354 46 HG2 GLU 35 HG2 GLU 35 0.780 -8.576 -18.480 47 HG3 GLU 35 HG3 GLU 35 -0.601 -7.632 -19.084 48 H LYS 36 H LYS 36 -1.146 -12.127 -16.733 49 HA LYS 36 HA LYS 36 -3.843 -12.261 -15.551 50 HB2 LYS 36 HB2 LYS 36 -3.653 -14.721 -15.779 51 HB3 LYS 36 HB3 LYS 36 -3.760 -13.818 -17.310 52 HG2 LYS 36 HG2 LYS 36 -1.309 -14.033 -17.588 53 HG3 LYS 36 HG3 LYS 36 -1.236 -14.979 -16.083 54 HD2 LYS 36 HD2 LYS 36 -2.742 -16.666 -17.087 55 HD3 LYS 36 HD3 LYS 36 -2.760 -15.728 -18.600 56 HE2 LYS 36 HE2 LYS 36 -0.335 -16.018 -18.821 57 HE3 LYS 36 HE3 LYS 36 -0.299 -16.934 -17.298 58 HZ1 LYS 36 HZ1 LYS 36 -0.317 -18.387 -19.209 59 HZ2 LYS 36 HZ2 LYS 36 -1.702 -18.587 -18.334 60 HZ3 LYS 36 HZ3 LYS 36 -1.734 -17.736 -19.747 61 H LYS 37 H LYS 37 -1.405 -11.218 -14.324 62 HA LYS 37 HA LYS 37 -1.033 -13.207 -12.181 63 HB2 LYS 37 HB2 LYS 37 1.214 -12.371 -11.849 64 HB3 LYS 37 HB3 LYS 37 0.976 -13.027 -13.487 65 HG2 LYS 37 HG2 LYS 37 0.683 -10.687 -14.320 66 HG3 LYS 37 HG3 LYS 37 1.086 -10.100 -12.690 67 HD2 LYS 37 HD2 LYS 37 2.892 -11.853 -14.390 68 HD3 LYS 37 HD3 LYS 37 3.022 -10.081 -14.276 69 HE2 LYS 37 HE2 LYS 37 3.365 -10.281 -11.837 70 HE3 LYS 37 HE3 LYS 37 3.286 -12.052 -11.983 71 HZ1 LYS 37 HZ1 LYS 37 5.554 -11.264 -11.935 72 HZ2 LYS 37 HZ2 LYS 37 5.226 -11.956 -13.397 73 HZ3 LYS 37 HZ3 LYS 37 5.299 -10.314 -13.260 74 H VAL 38 H VAL 38 -1.615 -9.895 -13.049 75 HA VAL 38 HA VAL 38 -2.507 -9.330 -10.354 76 HB VAL 38 HB VAL 38 -1.180 -7.218 -10.173 77 HG11 VAL 38 HG11 VAL 38 0.925 -8.322 -9.488 78 HG12 VAL 38 HG12 VAL 38 -0.492 -9.262 -8.963 79 HG13 VAL 38 HG13 VAL 38 0.448 -9.785 -10.382 80 HG21 VAL 38 HG21 VAL 38 0.826 -6.960 -11.543 81 HG22 VAL 38 HG22 VAL 38 0.346 -8.375 -12.510 82 HG23 VAL 38 HG23 VAL 38 -0.660 -6.907 -12.518 83 H ARG 39 H ARG 39 -3.422 -7.007 -10.259 84 HA ARG 39 HA ARG 39 -4.391 -6.122 -12.879 85 HB2 ARG 39 HB2 ARG 39 -5.161 -5.070 -10.208 86 HB3 ARG 39 HB3 ARG 39 -5.848 -4.628 -11.789 87 HG2 ARG 39 HG2 ARG 39 -5.960 -7.406 -10.577 88 HG3 ARG 39 HG3 ARG 39 -7.268 -6.204 -10.466 89 HD2 ARG 39 HD2 ARG 39 -6.178 -7.476 -12.956 90 HD3 ARG 39 HD3 ARG 39 -7.743 -7.794 -12.173 91 HE ARG 39 HE ARG 39 -7.218 -5.482 -13.962 92 HH11 ARG 39 HH11 ARG 39 -9.309 -6.794 -11.499 93 HH12 ARG 39 HH12 ARG 39 -10.582 -5.692 -11.985 94 HH21 ARG 39 HH21 ARG 39 -8.668 -4.220 -14.535 95 HH22 ARG 39 HH22 ARG 39 -10.218 -4.224 -13.717 96 H GLU 40 H GLU 40 -4.260 -3.744 -13.344 97 HA GLU 40 HA GLU 40 -1.447 -3.383 -13.537 98 HB2 GLU 40 HB2 GLU 40 -1.903 -1.587 -15.018 99 HB3 GLU 40 HB3 GLU 40 -3.016 -2.933 -15.368 100 HG2 GLU 40 HG2 GLU 40 -4.836 -1.668 -14.087 101 HG3 GLU 40 HG3 GLU 40 -3.589 -0.423 -13.849 102 H LEU 41 H LEU 41 -0.498 -1.100 -13.295 103 HA LEU 41 HA LEU 41 -1.237 -0.124 -10.616 104 HB2 LEU 41 HB2 LEU 41 1.230 -0.616 -12.022 105 HB3 LEU 41 HB3 LEU 41 1.344 0.741 -10.877 106 HG LEU 41 HG LEU 41 0.580 -0.790 -9.060 107 HD11 LEU 41 HD11 LEU 41 0.669 -3.260 -9.492 108 HD12 LEU 41 HD12 LEU 41 -0.566 -2.471 -10.502 109 HD13 LEU 41 HD13 LEU 41 1.001 -2.931 -11.210 110 HD21 LEU 41 HD21 LEU 41 2.719 -2.002 -8.826 111 HD22 LEU 41 HD22 LEU 41 3.090 -1.642 -10.531 112 HD23 LEU 41 HD23 LEU 41 2.940 -0.317 -9.352 113 H THR 42 H THR 42 -2.738 1.389 -11.455 114 HA THR 42 HA THR 42 -1.863 3.403 -13.327 115 HB THR 42 HB THR 42 -4.079 4.382 -13.083 116 HG1 THR 42 HG1 THR 42 -5.542 3.354 -11.567 117 HG21 THR 42 HG21 THR 42 -5.449 2.440 -13.758 118 HG22 THR 42 HG22 THR 42 -3.850 2.398 -14.539 119 HG23 THR 42 HG23 THR 42 -4.190 1.340 -13.147 120 HA PRO 43 HA PRO 43 -0.455 6.565 -10.543 121 HB2 PRO 43 HB2 PRO 43 -1.516 8.799 -11.725 122 HB3 PRO 43 HB3 PRO 43 -0.077 7.962 -12.326 123 HG2 PRO 43 HG2 PRO 43 -2.958 7.703 -13.250 124 HG3 PRO 43 HG3 PRO 43 -1.490 7.864 -14.223 125 HD2 PRO 43 HD2 PRO 43 -2.623 5.423 -13.849 126 HD3 PRO 43 HD3 PRO 43 -0.863 5.584 -13.897 127 H GLN 44 H GLN 44 -3.866 6.321 -11.367 128 HA GLN 44 HA GLN 44 -4.820 7.885 -9.187 129 HB2 GLN 44 HB2 GLN 44 -6.131 7.404 -11.211 130 HB3 GLN 44 HB3 GLN 44 -6.206 5.694 -10.724 131 HG2 GLN 44 HG2 GLN 44 -8.425 6.722 -9.866 132 HG3 GLN 44 HG3 GLN 44 -7.124 6.377 -8.703 133 HE21 GLN 44 HE21 GLN 44 -8.056 7.847 -7.216 134 HE22 GLN 44 HE22 GLN 44 -7.898 9.560 -7.422 135 H GLU 45 H GLU 45 -4.184 4.445 -9.665 136 HA GLU 45 HA GLU 45 -5.261 3.592 -7.182 137 HB2 GLU 45 HB2 GLU 45 -3.350 2.373 -9.145 138 HB3 GLU 45 HB3 GLU 45 -3.748 1.573 -7.605 139 HG2 GLU 45 HG2 GLU 45 -6.085 1.274 -8.281 140 HG3 GLU 45 HG3 GLU 45 -5.806 2.489 -9.549 141 H LEU 46 H LEU 46 -2.116 4.753 -8.197 142 HA LEU 46 HA LEU 46 -0.821 4.001 -5.732 143 HB2 LEU 46 HB2 LEU 46 -0.079 5.627 -8.050 144 HB3 LEU 46 HB3 LEU 46 1.122 5.393 -6.759 145 HG LEU 46 HG LEU 46 -0.064 3.295 -8.612 146 HD11 LEU 46 HD11 LEU 46 2.340 2.935 -9.232 147 HD12 LEU 46 HD12 LEU 46 1.839 4.615 -9.533 148 HD13 LEU 46 HD13 LEU 46 2.809 4.218 -8.093 149 HD21 LEU 46 HD21 LEU 46 1.287 1.636 -7.378 150 HD22 LEU 46 HD22 LEU 46 1.731 2.899 -6.202 151 HD23 LEU 46 HD23 LEU 46 0.033 2.390 -6.364 152 H GLU 47 H GLU 47 -2.149 6.926 -7.175 153 HA GLU 47 HA GLU 47 -1.216 8.738 -5.218 154 HB2 GLU 47 HB2 GLU 47 -3.448 8.787 -7.208 155 HB3 GLU 47 HB3 GLU 47 -3.253 10.095 -6.015 156 HG2 GLU 47 HG2 GLU 47 -0.995 10.630 -6.955 157 HG3 GLU 47 HG3 GLU 47 -1.173 9.163 -7.945 158 H LEU 48 H LEU 48 -4.317 7.036 -5.578 159 HA LEU 48 HA LEU 48 -5.515 8.108 -3.263 160 HB2 LEU 48 HB2 LEU 48 -7.242 6.584 -3.603 161 HB3 LEU 48 HB3 LEU 48 -6.610 6.892 -5.219 162 HG LEU 48 HG LEU 48 -5.241 4.730 -4.843 163 HD11 LEU 48 HD11 LEU 48 -7.304 3.541 -3.256 164 HD12 LEU 48 HD12 LEU 48 -6.571 4.879 -2.373 165 HD13 LEU 48 HD13 LEU 48 -5.561 3.568 -2.983 166 HD21 LEU 48 HD21 LEU 48 -8.228 4.480 -5.139 167 HD22 LEU 48 HD22 LEU 48 -6.987 3.421 -5.808 168 HD23 LEU 48 HD23 LEU 48 -7.160 5.069 -6.412 169 H PHE 49 H PHE 49 -3.259 5.522 -3.747 170 HA PHE 49 HA PHE 49 -3.555 4.259 -1.227 171 HB2 PHE 49 HB2 PHE 49 -2.371 3.156 -3.080 172 HB3 PHE 49 HB3 PHE 49 -1.111 4.410 -3.027 173 HD1 PHE 49 HD1 PHE 49 -2.611 1.572 -1.208 174 HD2 PHE 49 HD2 PHE 49 0.643 4.328 -1.472 175 HE1 PHE 49 HE1 PHE 49 -1.338 0.220 0.423 176 HE2 PHE 49 HE2 PHE 49 1.922 2.977 0.157 177 HZ PHE 49 HZ PHE 49 0.929 0.923 1.105 178 H LYS 50 H LYS 50 -1.015 6.498 -2.356 179 HA LYS 50 HA LYS 50 0.087 6.928 0.199 180 HB2 LYS 50 HB2 LYS 50 1.339 8.706 -0.767 181 HB3 LYS 50 HB3 LYS 50 1.273 7.336 -1.901 182 HG2 LYS 50 HG2 LYS 50 -0.438 8.481 -3.223 183 HG3 LYS 50 HG3 LYS 50 -0.446 9.834 -2.067 184 HD2 LYS 50 HD2 LYS 50 1.964 10.227 -2.581 185 HD3 LYS 50 HD3 LYS 50 1.870 8.954 -3.821 186 HE2 LYS 50 HE2 LYS 50 0.129 10.228 -4.998 187 HE3 LYS 50 HE3 LYS 50 0.219 11.500 -3.759 188 HZ1 LYS 50 HZ1 LYS 50 1.503 12.066 -5.707 189 HZ2 LYS 50 HZ2 LYS 50 2.501 11.880 -4.406 190 HZ3 LYS 50 HZ3 LYS 50 2.416 10.701 -5.557 191 H ARG 51 H ARG 51 -2.614 8.355 -1.447 192 HA ARG 51 HA ARG 51 -2.888 10.639 0.231 193 HB2 ARG 51 HB2 ARG 51 -3.855 10.558 -1.953 194 HB3 ARG 51 HB3 ARG 51 -4.976 9.290 -1.403 195 HG2 ARG 51 HG2 ARG 51 -5.961 10.855 0.211 196 HG3 ARG 51 HG3 ARG 51 -4.832 12.123 -0.323 197 HD2 ARG 51 HD2 ARG 51 -6.910 10.804 -2.040 198 HD3 ARG 51 HD3 ARG 51 -7.080 12.375 -1.224 199 HE ARG 51 HE ARG 51 -4.843 12.707 -2.942 200 HH11 ARG 51 HH11 ARG 51 -8.144 11.694 -3.430 201 HH12 ARG 51 HH12 ARG 51 -8.121 12.377 -5.043 202 HH21 ARG 51 HH21 ARG 51 -4.798 13.486 -4.791 203 HH22 ARG 51 HH22 ARG 51 -6.214 13.398 -5.822 204 H ALA 52 H ALA 52 -4.645 7.534 0.135 205 HA ALA 52 HA ALA 52 -6.140 8.030 2.479 206 HB1 ALA 52 HB1 ALA 52 -6.726 5.661 2.384 207 HB2 ALA 52 HB2 ALA 52 -6.850 6.417 0.795 208 HB3 ALA 52 HB3 ALA 52 -5.466 5.395 1.179 209 H MET 53 H MET 53 -3.038 6.463 1.904 210 HA MET 53 HA MET 53 -2.929 5.251 4.499 211 HB2 MET 53 HB2 MET 53 -0.811 5.627 2.398 212 HB3 MET 53 HB3 MET 53 -0.629 4.649 3.874 213 HG2 MET 53 HG2 MET 53 -2.588 4.154 1.610 214 HG3 MET 53 HG3 MET 53 -1.100 3.233 1.932 215 HE1 MET 53 HE1 MET 53 -1.898 1.168 5.072 216 HE2 MET 53 HE2 MET 53 -0.864 1.352 3.633 217 HE3 MET 53 HE3 MET 53 -0.894 2.625 4.877 218 H GLY 54 H GLY 54 -2.373 8.373 3.379 219 HA2 GLY 54 HA2 GLY 54 -1.953 10.233 4.681 220 HA3 GLY 54 HA3 GLY 54 -1.698 9.161 6.052 221 H ILE 55 H ILE 55 -0.016 9.341 2.927 222 HA ILE 55 HA ILE 55 2.527 9.006 4.153 223 HB ILE 55 HB ILE 55 1.843 9.870 1.326 224 HG12 ILE 55 HG12 ILE 55 0.922 7.736 1.853 225 HG13 ILE 55 HG13 ILE 55 2.294 7.576 0.732 226 HG21 ILE 55 HG21 ILE 55 4.152 9.167 0.798 227 HG22 ILE 55 HG22 ILE 55 4.144 10.505 1.969 228 HG23 ILE 55 HG23 ILE 55 4.449 8.841 2.521 229 HD11 ILE 55 HD11 ILE 55 2.327 5.799 2.439 230 HD12 ILE 55 HD12 ILE 55 3.738 6.871 2.600 231 HD13 ILE 55 HD13 ILE 55 2.365 7.031 3.721 232 H THR 56 H THR 56 3.896 10.464 4.944 233 HA THR 56 HA THR 56 3.305 13.312 4.465 234 HB THR 56 HB THR 56 4.221 13.807 6.686 235 HG1 THR 56 HG1 THR 56 4.695 11.991 8.065 236 HG21 THR 56 HG21 THR 56 2.432 12.773 8.042 237 HG22 THR 56 HG22 THR 56 1.803 13.337 6.474 238 HG23 THR 56 HG23 THR 56 2.119 11.605 6.736 239 HA PRO 57 HA PRO 57 7.422 13.994 2.989 240 HB2 PRO 57 HB2 PRO 57 7.978 16.460 4.029 241 HB3 PRO 57 HB3 PRO 57 6.899 16.208 2.649 242 HG2 PRO 57 HG2 PRO 57 6.191 16.577 5.580 243 HG3 PRO 57 HG3 PRO 57 5.460 17.332 4.158 244 HD2 PRO 57 HD2 PRO 57 4.263 15.202 5.349 245 HD3 PRO 57 HD3 PRO 57 4.219 15.375 3.590 246 H HIS 58 H HIS 58 6.696 13.949 6.373 247 HA HIS 58 HA HIS 58 9.464 13.996 7.211 248 HB2 HIS 58 HB2 HIS 58 6.899 13.506 8.763 249 HB3 HIS 58 HB3 HIS 58 8.521 13.548 9.495 250 HD1 HIS 58 HD1 HIS 58 9.855 15.932 8.876 251 HD2 HIS 58 HD2 HIS 58 5.642 16.010 8.842 252 HE1 HIS 58 HE1 HIS 58 9.221 18.270 9.195 253 H ASN 59 H ASN 59 6.911 11.619 6.737 254 HA ASN 59 HA ASN 59 8.858 9.484 7.292 255 HB2 ASN 59 HB2 ASN 59 5.784 9.086 7.321 256 HB3 ASN 59 HB3 ASN 59 7.230 8.051 7.414 257 HD21 ASN 59 HD21 ASN 59 5.108 10.161 9.075 258 HD22 ASN 59 HD22 ASN 59 5.856 10.066 10.635 259 H TYR 60 H TYR 60 8.496 11.120 4.800 260 HA TYR 60 HA TYR 60 7.208 9.641 2.801 261 HB2 TYR 60 HB2 TYR 60 7.820 11.947 2.488 262 HB3 TYR 60 HB3 TYR 60 9.546 11.530 2.616 263 HD1 TYR 60 HD1 TYR 60 6.507 11.070 0.510 264 HD2 TYR 60 HD2 TYR 60 10.759 10.812 0.706 265 HE1 TYR 60 HE1 TYR 60 6.590 10.700 -1.939 266 HE2 TYR 60 HE2 TYR 60 10.861 10.442 -1.735 267 HH TYR 60 HH TYR 60 9.676 10.236 -3.669 268 H TRP 61 H TRP 61 10.631 9.680 3.771 269 HA TRP 61 HA TRP 61 11.359 7.733 1.797 270 HB2 TRP 61 HB2 TRP 61 12.906 8.918 4.130 271 HB3 TRP 61 HB3 TRP 61 13.604 7.799 2.935 272 HD1 TRP 61 HD1 TRP 61 13.160 11.242 3.642 273 HE1 TRP 61 HE1 TRP 61 13.754 12.788 1.506 274 HE3 TRP 61 HE3 TRP 61 13.200 7.604 0.091 275 HZ2 TRP 61 HZ2 TRP 61 14.144 12.347 -1.194 276 HZ3 TRP 61 HZ3 TRP 61 13.671 8.162 -2.213 277 HH2 TRP 61 HH2 TRP 61 14.146 10.471 -2.907 278 H GLN 62 H GLN 62 10.469 7.679 5.171 279 HA GLN 62 HA GLN 62 11.313 5.066 5.793 280 HB2 GLN 62 HB2 GLN 62 10.616 6.726 7.454 281 HB3 GLN 62 HB3 GLN 62 8.946 6.596 6.857 282 HG2 GLN 62 HG2 GLN 62 9.027 5.008 8.897 283 HG3 GLN 62 HG3 GLN 62 9.062 4.304 7.263 284 HE21 GLN 62 HE21 GLN 62 9.974 2.374 8.046 285 HE22 GLN 62 HE22 GLN 62 11.635 2.279 8.528 286 H TRP 63 H TRP 63 8.204 6.294 4.582 287 HA TRP 63 HA TRP 63 7.033 3.721 4.266 288 HB2 TRP 63 HB2 TRP 63 6.331 6.512 3.464 289 HB3 TRP 63 HB3 TRP 63 5.571 5.187 2.550 290 HD1 TRP 63 HD1 TRP 63 5.609 6.892 5.801 291 HE1 TRP 63 HE1 TRP 63 3.549 6.025 7.321 292 HE3 TRP 63 HE3 TRP 63 4.133 2.999 2.885 293 HZ2 TRP 63 HZ2 TRP 63 1.693 3.985 7.141 294 HZ3 TRP 63 HZ3 TRP 63 2.259 1.624 3.551 295 HH2 TRP 63 HH2 TRP 63 1.019 2.060 5.627 296 H ALA 64 H ALA 64 8.801 5.893 2.110 297 HA ALA 64 HA ALA 64 8.326 4.568 -0.300 298 HB1 ALA 64 HB1 ALA 64 10.588 5.618 -0.953 299 HB2 ALA 64 HB2 ALA 64 9.257 6.688 -0.508 300 HB3 ALA 64 HB3 ALA 64 10.541 6.347 0.653 301 H SER 65 H SER 65 10.562 3.875 2.290 302 HA SER 65 HA SER 65 12.228 2.084 0.846 303 HB2 SER 65 HB2 SER 65 12.987 3.143 2.884 304 HB3 SER 65 HB3 SER 65 11.706 2.323 3.807 305 HG SER 65 HG SER 65 13.730 1.264 3.963 306 H ARG 66 H ARG 66 9.433 1.610 2.982 307 HA ARG 66 HA ARG 66 9.625 -1.250 2.840 308 HB2 ARG 66 HB2 ARG 66 7.799 -1.409 4.237 309 HB3 ARG 66 HB3 ARG 66 8.879 -0.127 4.833 310 HG2 ARG 66 HG2 ARG 66 7.386 1.584 4.189 311 HG3 ARG 66 HG3 ARG 66 6.442 0.482 3.157 312 HD2 ARG 66 HD2 ARG 66 5.241 1.076 5.147 313 HD3 ARG 66 HD3 ARG 66 5.625 -0.661 5.118 314 HE ARG 66 HE ARG 66 7.056 -0.264 7.112 315 HH11 ARG 66 HH11 ARG 66 5.865 2.751 5.827 316 HH12 ARG 66 HH12 ARG 66 6.331 3.572 7.304 317 HH21 ARG 66 HH21 ARG 66 7.602 0.663 8.806 318 HH22 ARG 66 HH22 ARG 66 7.322 2.382 9.003 319 H THR 67 H THR 67 8.024 1.221 1.048 320 HA THR 67 HA THR 67 6.108 -0.650 -0.117 321 HB THR 67 HB THR 67 5.138 1.326 -1.246 322 HG1 THR 67 HG1 THR 67 7.182 2.737 0.176 323 HG21 THR 67 HG21 THR 67 4.314 2.463 0.786 324 HG22 THR 67 HG22 THR 67 4.353 0.698 1.011 325 HG23 THR 67 HG23 THR 67 5.621 1.715 1.734 326 H ASN 68 H ASN 68 9.215 -0.069 -0.641 327 HA ASN 68 HA ASN 68 10.654 -0.031 -2.410 328 HB2 ASN 68 HB2 ASN 68 9.342 -2.402 -2.789 329 HB3 ASN 68 HB3 ASN 68 8.574 -1.236 -3.894 330 HD21 ASN 68 HD21 ASN 68 9.299 -2.976 -5.399 331 HD22 ASN 68 HD22 ASN 68 10.873 -2.806 -6.102 332 H ASN 69 H ASN 69 9.834 2.359 -2.380 333 HA ASN 69 HA ASN 69 9.521 4.249 -3.607 334 HB2 ASN 69 HB2 ASN 69 10.967 2.763 -5.466 335 HB3 ASN 69 HB3 ASN 69 9.254 2.739 -5.955 336 HD21 ASN 69 HD21 ASN 69 10.180 3.743 -7.886 337 HD22 ASN 69 HD22 ASN 69 10.356 5.466 -7.913 338 H PHE 70 H PHE 70 7.266 2.824 -2.613 339 HA PHE 70 HA PHE 70 4.996 2.781 -2.747 340 HB2 PHE 70 HB2 PHE 70 5.455 5.095 -4.661 341 HB3 PHE 70 HB3 PHE 70 3.909 4.688 -3.885 342 HD1 PHE 70 HD1 PHE 70 3.737 4.815 -1.392 343 HD2 PHE 70 HD2 PHE 70 7.041 6.403 -3.585 344 HE1 PHE 70 HE1 PHE 70 4.324 6.250 0.535 345 HE2 PHE 70 HE2 PHE 70 7.633 7.837 -1.660 346 HZ PHE 70 HZ PHE 70 6.273 7.759 0.401 347 H LYS 71 H LYS 71 6.367 0.969 -4.431 348 HA LYS 71 HA LYS 71 4.548 0.808 -6.740 349 HB2 LYS 71 HB2 LYS 71 7.040 0.738 -7.086 350 HB3 LYS 71 HB3 LYS 71 7.014 -0.842 -6.267 351 HG2 LYS 71 HG2 LYS 71 6.943 -1.475 -8.496 352 HG3 LYS 71 HG3 LYS 71 5.215 -1.445 -8.071 353 HD2 LYS 71 HD2 LYS 71 4.911 0.694 -9.104 354 HD3 LYS 71 HD3 LYS 71 6.665 0.914 -9.304 355 HE2 LYS 71 HE2 LYS 71 6.689 -1.065 -10.821 356 HE3 LYS 71 HE3 LYS 71 4.917 -1.137 -10.694 357 HZ1 LYS 71 HZ1 LYS 71 5.618 0.042 -12.665 358 HZ2 LYS 71 HZ2 LYS 71 4.823 1.067 -11.647 359 HZ3 LYS 71 HZ3 LYS 71 6.467 1.133 -11.765 360 H LEU 72 H LEU 72 2.752 -0.255 -6.171 361 HA LEU 72 HA LEU 72 3.048 -2.801 -4.727 362 HB2 LEU 72 HB2 LEU 72 0.879 -0.761 -4.257 363 HB3 LEU 72 HB3 LEU 72 1.037 -2.321 -3.451 364 HG LEU 72 HG LEU 72 3.388 -1.256 -2.758 365 HD11 LEU 72 HD11 LEU 72 3.397 0.853 -3.625 366 HD12 LEU 72 HD12 LEU 72 2.627 1.177 -2.072 367 HD13 LEU 72 HD13 LEU 72 1.644 1.022 -3.529 368 HD21 LEU 72 HD21 LEU 72 0.702 -0.854 -1.460 369 HD22 LEU 72 HD22 LEU 72 2.232 -0.481 -0.664 370 HD23 LEU 72 HD23 LEU 72 1.873 -2.137 -1.155 371 H LEU 73 H LEU 73 1.459 -4.383 -5.175 372 HA LEU 73 HA LEU 73 -0.094 -3.875 -7.625 373 HB2 LEU 73 HB2 LEU 73 1.348 -6.300 -6.816 374 HB3 LEU 73 HB3 LEU 73 0.450 -6.231 -8.349 375 HG LEU 73 HG LEU 73 2.107 -4.155 -8.743 376 HD11 LEU 73 HD11 LEU 73 4.393 -4.757 -7.905 377 HD12 LEU 73 HD12 LEU 73 3.268 -4.462 -6.558 378 HD13 LEU 73 HD13 LEU 73 3.688 -6.129 -7.016 379 HD21 LEU 73 HD21 LEU 73 3.538 -5.678 -10.061 380 HD22 LEU 73 HD22 LEU 73 2.811 -7.065 -9.215 381 HD23 LEU 73 HD23 LEU 73 1.804 -6.028 -10.254 382 H THR 74 H THR 74 -1.946 -5.295 -7.931 383 HA THR 74 HA THR 74 -2.986 -6.608 -5.555 384 HB THR 74 HB THR 74 -3.630 -4.266 -5.174 385 HG1 THR 74 HG1 THR 74 -5.096 -5.877 -4.514 386 HG21 THR 74 HG21 THR 74 -5.212 -3.169 -6.721 387 HG22 THR 74 HG22 THR 74 -3.669 -3.529 -7.534 388 HG23 THR 74 HG23 THR 74 -5.092 -4.556 -7.830 389 H ASP 75 H ASP 75 -4.440 -8.188 -6.014 390 HA ASP 75 HA ASP 75 -5.737 -8.223 -8.630 391 HB2 ASP 75 HB2 ASP 75 -3.518 -9.594 -8.762 392 HB3 ASP 75 HB3 ASP 75 -4.347 -10.555 -7.512 393 H GLY 76 H GLY 76 -7.610 -7.754 -7.352 394 HA2 GLY 76 HA2 GLY 76 -9.581 -8.382 -6.358 395 HA3 GLY 76 HA3 GLY 76 -9.135 -10.038 -6.740 396 H GLU 77 H GLU 77 -7.061 -8.065 -4.765 397 HA GLU 77 HA GLU 77 -8.046 -9.200 -2.288 398 HB2 GLU 77 HB2 GLU 77 -5.982 -10.311 -1.703 399 HB3 GLU 77 HB3 GLU 77 -6.733 -11.024 -3.150 400 HG2 GLU 77 HG2 GLU 77 -5.041 -9.707 -4.571 401 HG3 GLU 77 HG3 GLU 77 -4.405 -9.158 -3.003 402 H TRP 78 H TRP 78 -6.113 -8.708 -0.556 403 HA TRP 78 HA TRP 78 -5.917 -5.934 -0.297 404 HB2 TRP 78 HB2 TRP 78 -4.332 -6.367 1.499 405 HB3 TRP 78 HB3 TRP 78 -5.654 -7.530 1.574 406 HD1 TRP 78 HD1 TRP 78 -4.101 -9.189 -0.983 407 HE1 TRP 78 HE1 TRP 78 -2.254 -10.826 -0.253 408 HE3 TRP 78 HE3 TRP 78 -3.207 -7.362 3.708 409 HZ2 TRP 78 HZ2 TRP 78 -0.634 -11.283 2.012 410 HZ3 TRP 78 HZ3 TRP 78 -1.492 -8.457 5.092 411 HH2 TRP 78 HH2 TRP 78 -0.233 -10.377 4.261 412 H VAL 79 H VAL 79 -4.096 -4.526 -0.458 413 HA VAL 79 HA VAL 79 -2.571 -5.035 -2.865 414 HB VAL 79 HB VAL 79 -2.653 -2.582 -1.080 415 HG11 VAL 79 HG11 VAL 79 -1.571 -1.443 -2.989 416 HG12 VAL 79 HG12 VAL 79 -0.542 -2.750 -2.355 417 HG13 VAL 79 HG13 VAL 79 -1.468 -2.993 -3.857 418 HG21 VAL 79 HG21 VAL 79 -4.028 -1.611 -2.852 419 HG22 VAL 79 HG22 VAL 79 -4.013 -3.168 -3.715 420 HG23 VAL 79 HG23 VAL 79 -4.794 -3.040 -2.120 421 H TRP 80 H TRP 80 -0.531 -5.711 -2.946 422 HA TRP 80 HA TRP 80 0.993 -5.772 -0.423 423 HB2 TRP 80 HB2 TRP 80 2.016 -7.845 -1.133 424 HB3 TRP 80 HB3 TRP 80 0.259 -8.014 -1.356 425 HD1 TRP 80 HD1 TRP 80 3.422 -7.483 -3.259 426 HE1 TRP 80 HE1 TRP 80 3.076 -8.324 -5.804 427 HE3 TRP 80 HE3 TRP 80 -1.559 -8.469 -3.034 428 HZ2 TRP 80 HZ2 TRP 80 0.940 -9.233 -7.302 429 HZ3 TRP 80 HZ3 TRP 80 -2.721 -9.303 -4.983 430 HH2 TRP 80 HH2 TRP 80 -1.550 -9.701 -7.107 431 H VAL 81 H VAL 81 3.275 -5.484 -0.539 432 HA VAL 81 HA VAL 81 4.042 -3.517 -2.500 433 HB VAL 81 HB VAL 81 5.587 -4.727 -0.187 434 HG11 VAL 81 HG11 VAL 81 7.190 -2.882 -0.560 435 HG12 VAL 81 HG12 VAL 81 7.107 -3.955 -1.976 436 HG13 VAL 81 HG13 VAL 81 6.278 -2.381 -2.004 437 HG21 VAL 81 HG21 VAL 81 5.211 -2.559 0.878 438 HG22 VAL 81 HG22 VAL 81 4.228 -2.047 -0.514 439 HG23 VAL 81 HG23 VAL 81 3.684 -3.397 0.511 440 H GLU 82 H GLU 82 5.388 -3.759 -4.200 441 HA GLU 82 HA GLU 82 5.763 -6.222 -5.406 442 HB2 GLU 82 HB2 GLU 82 5.889 -4.067 -6.554 443 HB3 GLU 82 HB3 GLU 82 7.444 -3.746 -5.748 444 HG2 GLU 82 HG2 GLU 82 8.436 -5.748 -6.973 445 HG3 GLU 82 HG3 GLU 82 6.808 -5.953 -7.662 446 H GLY 83 H GLY 83 7.209 -7.828 -5.228 447 HA2 GLY 83 HA2 GLY 83 9.394 -8.698 -4.877 448 HA3 GLY 83 HA3 GLY 83 9.751 -7.312 -3.857 449 H TYR 84 H TYR 84 6.871 -7.989 -2.747 450 HA TYR 84 HA TYR 84 7.859 -9.981 -0.814 451 HB2 TYR 84 HB2 TYR 84 5.871 -7.750 -0.409 452 HB3 TYR 84 HB3 TYR 84 6.304 -8.977 0.806 453 HD1 TYR 84 HD1 TYR 84 8.654 -9.026 1.703 454 HD2 TYR 84 HD2 TYR 84 7.249 -5.837 -0.753 455 HE1 TYR 84 HE1 TYR 84 10.546 -7.626 2.457 456 HE2 TYR 84 HE2 TYR 84 9.138 -4.419 -0.009 457 HH TYR 84 HH TYR 84 11.054 -4.317 1.218 458 H GLU 85 H GLU 85 6.474 -10.492 -3.352 459 HA GLU 85 HA GLU 85 3.804 -11.241 -2.935 460 HB2 GLU 85 HB2 GLU 85 5.861 -12.518 -4.726 461 HB3 GLU 85 HB3 GLU 85 4.099 -12.759 -4.822 462 HG2 GLU 85 HG2 GLU 85 4.429 -11.098 -6.515 463 HG3 GLU 85 HG3 GLU 85 4.033 -10.211 -5.025 464 H GLU 86 H GLU 86 6.753 -12.631 -1.826 465 HA GLU 86 HA GLU 86 5.871 -15.234 -1.228 466 HB2 GLU 86 HB2 GLU 86 8.204 -14.580 -1.160 467 HB3 GLU 86 HB3 GLU 86 7.868 -13.500 0.214 468 HG2 GLU 86 HG2 GLU 86 7.282 -15.534 1.618 469 HG3 GLU 86 HG3 GLU 86 7.579 -16.475 0.139 470 H HIS 87 H HIS 87 5.345 -12.161 0.336 471 HA HIS 87 HA HIS 87 4.557 -13.337 2.851 472 HB2 HIS 87 HB2 HIS 87 4.538 -10.461 1.872 473 HB3 HIS 87 HB3 HIS 87 4.052 -10.960 3.509 474 HD1 HIS 87 HD1 HIS 87 6.078 -9.203 4.026 475 HD2 HIS 87 HD2 HIS 87 7.198 -13.002 2.588 476 HE1 HIS 87 HE1 HIS 87 8.459 -9.437 4.524 477 H ILE 88 H ILE 88 3.057 -12.948 -0.075 478 HA ILE 88 HA ILE 88 0.465 -12.117 0.633 479 HB ILE 88 HB ILE 88 1.427 -13.884 -1.630 480 HG12 ILE 88 HG12 ILE 88 0.481 -11.030 -1.600 481 HG13 ILE 88 HG13 ILE 88 2.184 -11.546 -1.560 482 HG21 ILE 88 HG21 ILE 88 -0.797 -13.515 -2.644 483 HG22 ILE 88 HG22 ILE 88 -0.932 -14.402 -1.108 484 HG23 ILE 88 HG23 ILE 88 -1.327 -12.669 -1.172 485 HD11 ILE 88 HD11 ILE 88 1.500 -10.910 -3.840 486 HD12 ILE 88 HD12 ILE 88 1.904 -12.641 -3.749 487 HD13 ILE 88 HD13 ILE 88 0.201 -12.125 -3.789 488 H GLY 89 H GLY 89 -1.083 -13.085 1.770 489 HA2 GLY 89 HA2 GLY 89 -2.452 -14.860 2.459 490 HA3 GLY 89 HA3 GLY 89 -1.276 -15.993 1.808 491 H LYS 90 H LYS 90 0.166 -13.592 3.695 492 HA LYS 90 HA LYS 90 0.137 -15.347 6.064 493 HB2 LYS 90 HB2 LYS 90 2.343 -13.669 4.910 494 HB3 LYS 90 HB3 LYS 90 2.373 -14.279 6.581 495 HG2 LYS 90 HG2 LYS 90 3.577 -15.938 5.540 496 HG3 LYS 90 HG3 LYS 90 1.934 -16.601 5.381 497 HD2 LYS 90 HD2 LYS 90 1.839 -15.394 3.122 498 HD3 LYS 90 HD3 LYS 90 3.598 -15.176 3.294 499 HE2 LYS 90 HE2 LYS 90 3.934 -17.569 3.413 500 HE3 LYS 90 HE3 LYS 90 2.179 -17.853 3.418 501 HZ1 LYS 90 HZ1 LYS 90 3.133 -18.210 1.242 502 HZ2 LYS 90 HZ2 LYS 90 2.090 -16.931 1.201 503 HZ3 LYS 90 HZ3 LYS 90 3.719 -16.668 1.197 504 H GLN 91 H GLN 91 0.021 -14.383 8.100 505 HA GLN 91 HA GLN 91 -1.125 -11.692 8.068 506 HB2 GLN 91 HB2 GLN 91 -2.400 -13.509 9.105 507 HB3 GLN 91 HB3 GLN 91 -1.067 -13.763 10.256 508 HG2 GLN 91 HG2 GLN 91 -2.741 -12.249 11.523 509 HG3 GLN 91 HG3 GLN 91 -1.260 -11.523 10.856 510 HE21 GLN 91 HE21 GLN 91 -2.197 -9.448 10.893 511 HE22 GLN 91 HE22 GLN 91 -3.396 -8.971 9.738 512 H LEU 92 H LEU 92 0.531 -10.256 8.110 513 HA LEU 92 HA LEU 92 2.665 -10.650 10.088 514 HB2 LEU 92 HB2 LEU 92 2.412 -8.866 7.770 515 HB3 LEU 92 HB3 LEU 92 3.911 -8.897 8.726 516 HG LEU 92 HG LEU 92 2.772 -11.156 7.036 517 HD11 LEU 92 HD11 LEU 92 4.874 -10.843 5.703 518 HD12 LEU 92 HD12 LEU 92 3.897 -9.356 5.728 519 HD13 LEU 92 HD13 LEU 92 5.333 -9.495 6.771 520 HD21 LEU 92 HD21 LEU 92 4.815 -12.404 7.649 521 HD22 LEU 92 HD22 LEU 92 5.266 -11.085 8.759 522 HD23 LEU 92 HD23 LEU 92 3.788 -12.032 9.055 523 HA PRO 93 HA PRO 93 1.189 -7.310 12.580 524 HB2 PRO 93 HB2 PRO 93 3.478 -6.573 13.834 525 HB3 PRO 93 HB3 PRO 93 2.630 -8.078 14.215 526 HG2 PRO 93 HG2 PRO 93 5.032 -7.650 12.406 527 HG3 PRO 93 HG3 PRO 93 4.779 -8.892 13.639 528 HD2 PRO 93 HD2 PRO 93 4.359 -9.417 10.982 529 HD3 PRO 93 HD3 PRO 93 3.377 -10.192 12.231 530 H LEU 94 H LEU 94 1.384 -4.999 12.869 531 HA LEU 94 HA LEU 94 1.707 -3.589 10.482 532 HB2 LEU 94 HB2 LEU 94 1.668 -2.800 13.300 533 HB3 LEU 94 HB3 LEU 94 1.655 -1.515 12.071 534 HG LEU 94 HG LEU 94 -0.463 -3.668 12.450 535 HD11 LEU 94 HD11 LEU 94 -1.930 -1.743 13.115 536 HD12 LEU 94 HD12 LEU 94 -0.528 -1.892 14.201 537 HD13 LEU 94 HD13 LEU 94 -0.544 -0.644 12.932 538 HD21 LEU 94 HD21 LEU 94 -1.732 -2.435 10.725 539 HD22 LEU 94 HD22 LEU 94 -0.335 -1.353 10.497 540 HD23 LEU 94 HD23 LEU 94 -0.191 -3.085 10.113 541 H ASN 95 H ASN 95 3.966 -4.298 13.046 542 HA ASN 95 HA ASN 95 5.943 -2.395 12.341 543 HB2 ASN 95 HB2 ASN 95 6.367 -4.985 13.992 544 HB3 ASN 95 HB3 ASN 95 7.431 -3.697 13.377 545 HD21 ASN 95 HD21 ASN 95 6.647 -4.543 16.118 546 HD22 ASN 95 HD22 ASN 95 6.068 -3.101 16.885 547 H GLN 96 H GLN 96 5.118 -5.558 11.143 548 HA GLN 96 HA GLN 96 7.455 -5.466 9.350 549 HB2 GLN 96 HB2 GLN 96 6.060 -7.872 10.509 550 HB3 GLN 96 HB3 GLN 96 7.345 -7.930 9.278 551 HG2 GLN 96 HG2 GLN 96 7.840 -6.981 12.237 552 HG3 GLN 96 HG3 GLN 96 8.079 -8.479 11.307 553 HE21 GLN 96 HE21 GLN 96 9.519 -5.665 12.379 554 HE22 GLN 96 HE22 GLN 96 10.841 -5.584 11.263 555 H ALA 97 H ALA 97 4.749 -4.378 8.954 556 HA ALA 97 HA ALA 97 3.282 -6.212 7.310 557 HB1 ALA 97 HB1 ALA 97 1.679 -4.838 8.007 558 HB2 ALA 97 HB2 ALA 97 2.847 -3.604 8.485 559 HB3 ALA 97 HB3 ALA 97 2.270 -3.675 6.820 560 H ARG 98 H ARG 98 3.258 -6.409 5.137 561 HA ARG 98 HA ARG 98 4.556 -4.322 3.529 562 HB2 ARG 98 HB2 ARG 98 5.027 -7.238 3.198 563 HB3 ARG 98 HB3 ARG 98 5.469 -5.983 2.018 564 HG2 ARG 98 HG2 ARG 98 6.478 -6.063 4.875 565 HG3 ARG 98 HG3 ARG 98 7.355 -6.754 3.489 566 HD2 ARG 98 HD2 ARG 98 7.371 -4.516 2.466 567 HD3 ARG 98 HD3 ARG 98 6.650 -3.878 3.962 568 HE ARG 98 HE ARG 98 9.515 -4.634 3.686 569 HH11 ARG 98 HH11 ARG 98 6.915 -3.896 5.889 570 HH12 ARG 98 HH12 ARG 98 8.076 -3.562 7.158 571 HH21 ARG 98 HH21 ARG 98 10.858 -4.247 5.127 572 HH22 ARG 98 HH22 ARG 98 10.326 -3.761 6.724 573 H ALA 99 H ALA 99 1.745 -4.998 4.166 574 HA ALA 99 HA ALA 99 0.669 -4.688 1.558 575 HB1 ALA 99 HB1 ALA 99 -0.750 -6.825 1.707 576 HB2 ALA 99 HB2 ALA 99 0.925 -6.970 1.172 577 HB3 ALA 99 HB3 ALA 99 0.488 -7.398 2.827 578 H TRP 100 H TRP 100 -1.473 -4.028 1.594 579 HA TRP 100 HA TRP 100 -2.873 -4.071 4.166 580 HB2 TRP 100 HB2 TRP 100 -2.479 -1.526 2.543 581 HB3 TRP 100 HB3 TRP 100 -3.393 -1.681 4.063 582 HD1 TRP 100 HD1 TRP 100 -2.148 -1.616 6.179 583 HE1 TRP 100 HE1 TRP 100 0.405 -1.097 6.895 584 HE3 TRP 100 HE3 TRP 100 -0.015 -1.944 1.576 585 HZ2 TRP 100 HZ2 TRP 100 2.820 -0.905 5.566 586 HZ3 TRP 100 HZ3 TRP 100 2.363 -1.596 1.312 587 HH2 TRP 100 HH2 TRP 100 3.810 -1.087 3.232 588 H SER 101 H SER 101 -5.128 -3.939 4.020 589 HA SER 101 HA SER 101 -6.099 -5.145 1.609 590 HB2 SER 101 HB2 SER 101 -8.164 -5.452 2.780 591 HB3 SER 101 HB3 SER 101 -6.814 -5.835 3.874 592 HG SER 101 HG SER 101 -8.381 -4.550 4.898 593 H TRP 102 H TRP 102 -7.678 -4.368 0.193 594 HA TRP 102 HA TRP 102 -7.886 -1.623 -0.330 595 HB2 TRP 102 HB2 TRP 102 -9.413 -4.049 -1.167 596 HB3 TRP 102 HB3 TRP 102 -10.110 -2.466 -1.502 597 HD1 TRP 102 HD1 TRP 102 -8.032 -4.954 -3.108 598 HE1 TRP 102 HE1 TRP 102 -6.642 -3.943 -5.023 599 HE3 TRP 102 HE3 TRP 102 -8.579 0.003 -1.979 600 HZ2 TRP 102 HZ2 TRP 102 -5.879 -1.383 -5.936 601 HZ3 TRP 102 HZ3 TRP 102 -7.486 1.669 -3.422 602 HH2 TRP 102 HH2 TRP 102 -6.164 0.989 -5.360 603 H GLU 103 H GLU 103 -9.719 -3.727 1.782 604 HA GLU 103 HA GLU 103 -11.858 -1.958 2.320 605 HB2 GLU 103 HB2 GLU 103 -10.646 -4.205 3.907 606 HB3 GLU 103 HB3 GLU 103 -12.079 -3.292 4.440 607 HG2 GLU 103 HG2 GLU 103 -13.328 -4.089 2.396 608 HG3 GLU 103 HG3 GLU 103 -11.794 -4.836 1.897 609 H PHE 104 H PHE 104 -8.711 -2.456 3.863 610 HA PHE 104 HA PHE 104 -9.012 -0.507 5.883 611 HB2 PHE 104 HB2 PHE 104 -7.228 -2.194 5.981 612 HB3 PHE 104 HB3 PHE 104 -6.471 -1.489 4.535 613 HD1 PHE 104 HD1 PHE 104 -7.365 -0.812 8.067 614 HD2 PHE 104 HD2 PHE 104 -4.987 0.286 4.692 615 HE1 PHE 104 HE1 PHE 104 -6.027 0.693 9.501 616 HE2 PHE 104 HE2 PHE 104 -3.645 1.790 6.123 617 HZ PHE 104 HZ PHE 104 -4.167 1.995 8.529 618 H ILE 105 H ILE 105 -7.616 -0.334 2.623 619 HA ILE 105 HA ILE 105 -6.867 2.349 2.631 620 HB ILE 105 HB ILE 105 -7.806 0.580 0.363 621 HG12 ILE 105 HG12 ILE 105 -5.070 1.625 1.026 622 HG13 ILE 105 HG13 ILE 105 -5.707 0.063 1.589 623 HG21 ILE 105 HG21 ILE 105 -6.902 2.306 -1.158 624 HG22 ILE 105 HG22 ILE 105 -8.261 2.943 -0.206 625 HG23 ILE 105 HG23 ILE 105 -6.591 3.371 0.233 626 HD11 ILE 105 HD11 ILE 105 -4.293 -0.223 -0.407 627 HD12 ILE 105 HD12 ILE 105 -5.982 -0.670 -0.746 628 HD13 ILE 105 HD13 ILE 105 -5.344 0.892 -1.310 629 H LYS 106 H LYS 106 -9.983 0.863 1.846 630 HA LYS 106 HA LYS 106 -11.301 3.247 1.098 631 HB2 LYS 106 HB2 LYS 106 -12.275 0.591 2.088 632 HB3 LYS 106 HB3 LYS 106 -13.387 1.927 1.707 633 HG2 LYS 106 HG2 LYS 106 -12.716 1.929 -0.599 634 HG3 LYS 106 HG3 LYS 106 -11.387 0.792 -0.269 635 HD2 LYS 106 HD2 LYS 106 -13.186 -0.442 -1.290 636 HD3 LYS 106 HD3 LYS 106 -13.095 -0.903 0.428 637 HE2 LYS 106 HE2 LYS 106 -14.935 0.618 0.954 638 HE3 LYS 106 HE3 LYS 106 -15.008 1.138 -0.745 639 HZ1 LYS 106 HZ1 LYS 106 -16.678 -0.514 -0.247 640 HZ2 LYS 106 HZ2 LYS 106 -15.598 -1.112 -1.341 641 HZ3 LYS 106 HZ3 LYS 106 -15.531 -1.595 0.236 642 H ASN 107 H ASN 107 -10.894 1.605 4.193 643 HA ASN 107 HA ASN 107 -12.662 3.153 5.716 644 HB2 ASN 107 HB2 ASN 107 -10.153 1.666 6.771 645 HB3 ASN 107 HB3 ASN 107 -11.387 2.717 7.506 646 HD21 ASN 107 HD21 ASN 107 -10.715 -0.144 7.879 647 HD22 ASN 107 HD22 ASN 107 -12.201 -0.998 7.629 648 H ARG 108 H ARG 108 -9.321 3.701 4.759 649 HA ARG 108 HA ARG 108 -9.005 6.045 6.385 650 HB2 ARG 108 HB2 ARG 108 -7.316 4.947 4.204 651 HB3 ARG 108 HB3 ARG 108 -6.954 6.429 5.118 652 HG2 ARG 108 HG2 ARG 108 -7.287 3.670 6.335 653 HG3 ARG 108 HG3 ARG 108 -5.724 4.430 5.947 654 HD2 ARG 108 HD2 ARG 108 -6.253 6.233 7.506 655 HD3 ARG 108 HD3 ARG 108 -7.762 5.391 7.930 656 HE ARG 108 HE ARG 108 -5.481 3.657 8.517 657 HH11 ARG 108 HH11 ARG 108 -7.068 6.522 9.712 658 HH12 ARG 108 HH12 ARG 108 -6.529 6.151 11.337 659 HH21 ARG 108 HH21 ARG 108 -4.848 3.222 10.371 660 HH22 ARG 108 HH22 ARG 108 -5.262 4.269 11.714 661 H LEU 109 H LEU 109 -9.836 5.374 3.028 662 HA LEU 109 HA LEU 109 -9.940 8.054 2.142 663 HB2 LEU 109 HB2 LEU 109 -11.255 5.561 1.375 664 HB3 LEU 109 HB3 LEU 109 -11.624 7.007 0.407 665 HG LEU 109 HG LEU 109 -8.866 5.780 0.788 666 HD11 LEU 109 HD11 LEU 109 -9.071 5.152 -1.632 667 HD12 LEU 109 HD12 LEU 109 -10.341 4.383 -0.654 668 HD13 LEU 109 HD13 LEU 109 -10.724 5.810 -1.647 669 HD21 LEU 109 HD21 LEU 109 -8.161 7.376 -0.960 670 HD22 LEU 109 HD22 LEU 109 -9.797 8.078 -0.955 671 HD23 LEU 109 HD23 LEU 109 -8.778 8.186 0.499 672 H LYS 110 H LYS 110 -12.252 5.985 3.799 673 HA LYS 110 HA LYS 110 -14.460 7.747 3.695 674 HB2 LYS 110 HB2 LYS 110 -13.679 5.564 5.603 675 HB3 LYS 110 HB3 LYS 110 -15.180 6.504 5.781 676 HG2 LYS 110 HG2 LYS 110 -15.979 5.723 3.623 677 HG3 LYS 110 HG3 LYS 110 -14.441 4.879 3.325 678 HD2 LYS 110 HD2 LYS 110 -14.858 3.398 5.227 679 HD3 LYS 110 HD3 LYS 110 -16.368 4.268 5.594 680 HE2 LYS 110 HE2 LYS 110 -17.272 3.615 3.400 681 HE3 LYS 110 HE3 LYS 110 -15.768 2.737 3.044 682 HZ1 LYS 110 HZ1 LYS 110 -17.489 1.265 3.841 683 HZ2 LYS 110 HZ2 LYS 110 -16.237 1.305 4.914 684 HZ3 LYS 110 HZ3 LYS 110 -17.632 2.119 5.245 685 H GLU 111 H GLU 111 -11.663 7.533 5.799 686 HA GLU 111 HA GLU 111 -12.550 9.563 7.613 687 HB2 GLU 111 HB2 GLU 111 -9.841 8.395 7.034 688 HB3 GLU 111 HB3 GLU 111 -10.134 9.643 8.270 689 HG2 GLU 111 HG2 GLU 111 -11.647 8.037 9.503 690 HG3 GLU 111 HG3 GLU 111 -11.380 6.928 8.138 691 H LEU 112 H LEU 112 -11.566 9.639 4.426 692 HA LEU 112 HA LEU 112 -10.602 12.410 4.643 693 HB2 LEU 112 HB2 LEU 112 -10.456 10.411 2.501 694 HB3 LEU 112 HB3 LEU 112 -9.787 12.037 2.241 695 HG LEU 112 HG LEU 112 -8.822 9.984 4.269 696 HD11 LEU 112 HD11 LEU 112 -6.738 9.973 2.871 697 HD12 LEU 112 HD12 LEU 112 -8.157 9.467 1.922 698 HD13 LEU 112 HD13 LEU 112 -7.508 11.115 1.745 699 HD21 LEU 112 HD21 LEU 112 -7.012 11.595 4.747 700 HD22 LEU 112 HD22 LEU 112 -7.794 12.768 3.659 701 HD23 LEU 112 HD23 LEU 112 -8.624 12.237 5.141 702 H ASN 113 H ASN 113 -13.433 11.279 4.652 703 HA ASN 113 HA ASN 113 -14.585 12.248 2.194 704 HB2 ASN 113 HB2 ASN 113 -15.675 10.264 3.656 705 HB3 ASN 113 HB3 ASN 113 -15.882 11.719 4.660 706 HD21 ASN 113 HD21 ASN 113 -18.135 10.789 4.427 707 HD22 ASN 113 HD22 ASN 113 -19.096 11.433 3.136 708 H LEU 114 H LEU 114 -13.528 14.416 2.558 709 HA LEU 114 HA LEU 114 -13.702 16.642 2.982 710 HB2 LEU 114 HB2 LEU 114 -15.697 16.411 1.945 711 HB3 LEU 114 HB3 LEU 114 -16.626 15.858 3.359 712 HG LEU 114 HG LEU 114 -16.085 18.107 4.426 713 HD11 LEU 114 HD11 LEU 114 -15.528 19.961 2.829 714 HD12 LEU 114 HD12 LEU 114 -14.235 18.740 2.878 715 HD13 LEU 114 HD13 LEU 114 -15.383 18.767 1.519 716 HD21 LEU 114 HD21 LEU 114 -17.897 19.281 3.224 717 HD22 LEU 114 HD22 LEU 114 -17.796 18.068 1.924 718 HD23 LEU 114 HD23 LEU 114 -18.289 17.579 3.563 Start of MODEL 5 1 H1 GLY 29 H1 GLY 29 3.060 -19.431 -9.606 2 H2 GLY 29 H2 GLY 29 1.891 -19.642 -8.689 3 H3 GLY 29 H3 GLY 29 3.097 -18.894 -8.206 4 HA2 GLY 29 HA2 GLY 29 2.679 -21.678 -7.946 5 HA3 GLY 29 HA3 GLY 29 4.050 -21.428 -9.018 6 H SER 30 H SER 30 2.801 -20.703 -5.786 7 HA SER 30 HA SER 30 5.417 -21.361 -4.730 8 HB2 SER 30 HB2 SER 30 5.752 -19.386 -3.467 9 HB3 SER 30 HB3 SER 30 5.454 -18.897 -5.151 10 HG SER 30 HG SER 30 4.282 -17.638 -3.639 11 H GLU 31 H GLU 31 2.220 -20.042 -3.807 12 HA GLU 31 HA GLU 31 1.995 -22.297 -1.930 13 HB2 GLU 31 HB2 GLU 31 0.384 -19.762 -2.127 14 HB3 GLU 31 HB3 GLU 31 0.045 -21.103 -1.005 15 HG2 GLU 31 HG2 GLU 31 2.322 -20.691 0.078 16 HG3 GLU 31 HG3 GLU 31 2.492 -19.392 -1.124 17 H GLU 32 H GLU 32 1.065 -21.203 -4.979 18 HA GLU 32 HA GLU 32 -0.982 -23.312 -5.111 19 HB2 GLU 32 HB2 GLU 32 -1.031 -20.657 -6.528 20 HB3 GLU 32 HB3 GLU 32 -2.180 -21.992 -6.792 21 HG2 GLU 32 HG2 GLU 32 -1.861 -20.534 -4.100 22 HG3 GLU 32 HG3 GLU 32 -3.016 -20.174 -5.403 23 H LYS 33 H LYS 33 -1.337 -24.004 -7.529 24 HA LYS 33 HA LYS 33 0.966 -23.266 -9.207 25 HB2 LYS 33 HB2 LYS 33 -1.163 -25.355 -9.598 26 HB3 LYS 33 HB3 LYS 33 0.056 -24.921 -10.821 27 HG2 LYS 33 HG2 LYS 33 1.846 -25.609 -9.255 28 HG3 LYS 33 HG3 LYS 33 0.607 -26.088 -8.070 29 HD2 LYS 33 HD2 LYS 33 -0.286 -27.736 -9.660 30 HD3 LYS 33 HD3 LYS 33 0.936 -27.249 -10.858 31 HE2 LYS 33 HE2 LYS 33 2.710 -27.904 -9.226 32 HE3 LYS 33 HE3 LYS 33 1.436 -28.518 -8.149 33 HZ1 LYS 33 HZ1 LYS 33 2.392 -30.270 -9.485 34 HZ2 LYS 33 HZ2 LYS 33 0.804 -30.058 -9.882 35 HZ3 LYS 33 HZ3 LYS 33 1.986 -29.489 -10.880 36 H GLU 34 H GLU 34 0.544 -21.261 -9.995 37 HA GLU 34 HA GLU 34 -1.919 -20.757 -11.431 38 HB2 GLU 34 HB2 GLU 34 -2.611 -18.884 -10.083 39 HB3 GLU 34 HB3 GLU 34 -2.603 -20.395 -9.141 40 HG2 GLU 34 HG2 GLU 34 -0.350 -19.648 -8.140 41 HG3 GLU 34 HG3 GLU 34 -0.599 -18.179 -9.112 42 H GLU 35 H GLU 35 -1.942 -18.217 -11.923 43 HA GLU 35 HA GLU 35 0.781 -17.526 -12.804 44 HB2 GLU 35 HB2 GLU 35 -1.905 -16.698 -13.881 45 HB3 GLU 35 HB3 GLU 35 -0.350 -16.029 -14.433 46 HG2 GLU 35 HG2 GLU 35 0.314 -18.411 -15.153 47 HG3 GLU 35 HG3 GLU 35 -1.322 -18.849 -14.606 48 H LYS 36 H LYS 36 1.627 -15.510 -12.395 49 HA LYS 36 HA LYS 36 0.500 -14.178 -10.088 50 HB2 LYS 36 HB2 LYS 36 3.066 -13.860 -11.614 51 HB3 LYS 36 HB3 LYS 36 2.593 -12.771 -10.289 52 HG2 LYS 36 HG2 LYS 36 2.476 -14.737 -8.765 53 HG3 LYS 36 HG3 LYS 36 3.063 -15.765 -10.094 54 HD2 LYS 36 HD2 LYS 36 5.127 -14.424 -10.221 55 HD3 LYS 36 HD3 LYS 36 4.540 -13.400 -8.889 56 HE2 LYS 36 HE2 LYS 36 4.537 -15.301 -7.376 57 HE3 LYS 36 HE3 LYS 36 5.005 -16.391 -8.701 58 HZ1 LYS 36 HZ1 LYS 36 6.891 -15.775 -7.347 59 HZ2 LYS 36 HZ2 LYS 36 7.075 -15.183 -8.876 60 HZ3 LYS 36 HZ3 LYS 36 6.639 -14.173 -7.646 61 H LYS 37 H LYS 37 -1.009 -13.918 -12.500 62 HA LYS 37 HA LYS 37 -0.401 -11.422 -13.769 63 HB2 LYS 37 HB2 LYS 37 -1.543 -13.371 -14.844 64 HB3 LYS 37 HB3 LYS 37 -2.982 -12.961 -13.882 65 HG2 LYS 37 HG2 LYS 37 -3.547 -11.817 -15.767 66 HG3 LYS 37 HG3 LYS 37 -2.529 -10.565 -15.016 67 HD2 LYS 37 HD2 LYS 37 -1.297 -12.635 -16.822 68 HD3 LYS 37 HD3 LYS 37 -2.140 -11.232 -17.521 69 HE2 LYS 37 HE2 LYS 37 -0.691 -9.722 -16.224 70 HE3 LYS 37 HE3 LYS 37 0.160 -11.128 -15.546 71 HZ1 LYS 37 HZ1 LYS 37 1.353 -10.176 -17.400 72 HZ2 LYS 37 HZ2 LYS 37 0.852 -11.703 -17.774 73 HZ3 LYS 37 HZ3 LYS 37 0.062 -10.398 -18.403 74 H VAL 38 H VAL 38 -1.064 -9.429 -13.240 75 HA VAL 38 HA VAL 38 -3.070 -9.148 -11.108 76 HB VAL 38 HB VAL 38 -1.630 -7.473 -9.965 77 HG11 VAL 38 HG11 VAL 38 -0.064 -9.101 -8.961 78 HG12 VAL 38 HG12 VAL 38 -1.677 -9.818 -9.183 79 HG13 VAL 38 HG13 VAL 38 -0.361 -10.221 -10.311 80 HG21 VAL 38 HG21 VAL 38 0.751 -7.358 -10.504 81 HG22 VAL 38 HG22 VAL 38 0.483 -8.416 -11.910 82 HG23 VAL 38 HG23 VAL 38 -0.267 -6.802 -11.852 83 H ARG 39 H ARG 39 -3.471 -6.688 -10.726 84 HA ARG 39 HA ARG 39 -3.887 -5.433 -13.326 85 HB2 ARG 39 HB2 ARG 39 -4.902 -4.580 -10.665 86 HB3 ARG 39 HB3 ARG 39 -5.277 -3.842 -12.239 87 HG2 ARG 39 HG2 ARG 39 -5.930 -6.702 -11.466 88 HG3 ARG 39 HG3 ARG 39 -7.075 -5.342 -11.381 89 HD2 ARG 39 HD2 ARG 39 -5.738 -6.391 -13.855 90 HD3 ARG 39 HD3 ARG 39 -7.416 -6.695 -13.345 91 HE ARG 39 HE ARG 39 -6.503 -4.188 -14.655 92 HH11 ARG 39 HH11 ARG 39 -9.010 -5.705 -12.764 93 HH12 ARG 39 HH12 ARG 39 -10.138 -4.452 -13.244 94 HH21 ARG 39 HH21 ARG 39 -7.785 -2.751 -15.221 95 HH22 ARG 39 HH22 ARG 39 -9.442 -2.768 -14.646 96 H GLU 40 H GLU 40 -3.283 -3.200 -13.706 97 HA GLU 40 HA GLU 40 -0.481 -3.095 -13.121 98 HB2 GLU 40 HB2 GLU 40 -0.329 -1.396 -14.759 99 HB3 GLU 40 HB3 GLU 40 -1.430 -2.663 -15.352 100 HG2 GLU 40 HG2 GLU 40 -3.397 -1.155 -14.693 101 HG3 GLU 40 HG3 GLU 40 -2.139 -0.005 -14.184 102 H LEU 41 H LEU 41 0.443 -0.721 -12.861 103 HA LEU 41 HA LEU 41 -0.850 0.398 -10.472 104 HB2 LEU 41 HB2 LEU 41 1.875 0.363 -11.518 105 HB3 LEU 41 HB3 LEU 41 1.532 1.486 -10.183 106 HG LEU 41 HG LEU 41 0.779 -0.510 -8.827 107 HD11 LEU 41 HD11 LEU 41 1.602 -2.754 -9.587 108 HD12 LEU 41 HD12 LEU 41 0.428 -2.075 -10.736 109 HD13 LEU 41 HD13 LEU 41 2.169 -2.017 -11.103 110 HD21 LEU 41 HD21 LEU 41 3.073 -1.233 -8.263 111 HD22 LEU 41 HD22 LEU 41 3.664 -0.460 -9.754 112 HD23 LEU 41 HD23 LEU 41 2.939 0.530 -8.465 113 H THR 42 H THR 42 -2.265 1.883 -11.277 114 HA THR 42 HA THR 42 -1.359 3.879 -13.185 115 HB THR 42 HB THR 42 -3.626 4.785 -13.086 116 HG1 THR 42 HG1 THR 42 -5.151 3.697 -11.700 117 HG21 THR 42 HG21 THR 42 -4.855 2.803 -13.900 118 HG22 THR 42 HG22 THR 42 -3.202 2.846 -14.558 119 HG23 THR 42 HG23 THR 42 -3.599 1.744 -13.220 120 HA PRO 43 HA PRO 43 -0.327 7.129 -10.340 121 HB2 PRO 43 HB2 PRO 43 -1.479 9.299 -11.557 122 HB3 PRO 43 HB3 PRO 43 0.039 8.565 -12.092 123 HG2 PRO 43 HG2 PRO 43 -2.771 8.124 -13.155 124 HG3 PRO 43 HG3 PRO 43 -1.271 8.386 -14.056 125 HD2 PRO 43 HD2 PRO 43 -2.260 5.875 -13.747 126 HD3 PRO 43 HD3 PRO 43 -0.514 6.149 -13.705 127 H GLN 44 H GLN 44 -3.680 6.716 -11.337 128 HA GLN 44 HA GLN 44 -4.810 8.175 -9.166 129 HB2 GLN 44 HB2 GLN 44 -6.000 7.718 -11.263 130 HB3 GLN 44 HB3 GLN 44 -6.018 5.987 -10.850 131 HG2 GLN 44 HG2 GLN 44 -8.323 6.877 -10.065 132 HG3 GLN 44 HG3 GLN 44 -7.065 6.544 -8.851 133 HE21 GLN 44 HE21 GLN 44 -8.117 7.907 -7.350 134 HE22 GLN 44 HE22 GLN 44 -8.038 9.633 -7.486 135 H GLU 45 H GLU 45 -4.046 4.769 -9.726 136 HA GLU 45 HA GLU 45 -5.231 3.807 -7.336 137 HB2 GLU 45 HB2 GLU 45 -3.185 2.685 -9.217 138 HB3 GLU 45 HB3 GLU 45 -3.694 1.823 -7.747 139 HG2 GLU 45 HG2 GLU 45 -5.981 1.567 -8.610 140 HG3 GLU 45 HG3 GLU 45 -5.591 2.811 -9.819 141 H LEU 46 H LEU 46 -2.057 5.055 -8.140 142 HA LEU 46 HA LEU 46 -0.835 4.072 -5.724 143 HB2 LEU 46 HB2 LEU 46 0.005 5.904 -7.851 144 HB3 LEU 46 HB3 LEU 46 1.170 5.464 -6.580 145 HG LEU 46 HG LEU 46 -0.089 3.632 -8.658 146 HD11 LEU 46 HD11 LEU 46 2.297 3.279 -9.352 147 HD12 LEU 46 HD12 LEU 46 1.838 4.995 -9.462 148 HD13 LEU 46 HD13 LEU 46 2.817 4.420 -8.089 149 HD21 LEU 46 HD21 LEU 46 1.235 1.816 -7.632 150 HD22 LEU 46 HD22 LEU 46 1.728 2.931 -6.335 151 HD23 LEU 46 HD23 LEU 46 0.016 2.487 -6.523 152 H GLU 47 H GLU 47 -2.054 7.149 -6.935 153 HA GLU 47 HA GLU 47 -0.978 8.733 -4.836 154 HB2 GLU 47 HB2 GLU 47 -3.147 9.197 -6.857 155 HB3 GLU 47 HB3 GLU 47 -2.708 10.409 -5.629 156 HG2 GLU 47 HG2 GLU 47 -0.384 10.531 -6.591 157 HG3 GLU 47 HG3 GLU 47 -0.877 9.195 -7.655 158 H LEU 48 H LEU 48 -4.139 7.247 -5.401 159 HA LEU 48 HA LEU 48 -5.396 8.287 -3.091 160 HB2 LEU 48 HB2 LEU 48 -7.149 6.780 -3.530 161 HB3 LEU 48 HB3 LEU 48 -6.512 7.261 -5.104 162 HG LEU 48 HG LEU 48 -5.165 5.065 -4.983 163 HD11 LEU 48 HD11 LEU 48 -5.867 4.802 -2.513 164 HD12 LEU 48 HD12 LEU 48 -5.862 3.380 -3.554 165 HD13 LEU 48 HD13 LEU 48 -7.383 4.189 -3.175 166 HD21 LEU 48 HD21 LEU 48 -7.309 5.698 -6.330 167 HD22 LEU 48 HD22 LEU 48 -8.105 4.592 -5.210 168 HD23 LEU 48 HD23 LEU 48 -6.788 4.016 -6.234 169 H PHE 49 H PHE 49 -3.234 5.628 -3.626 170 HA PHE 49 HA PHE 49 -3.726 4.195 -1.240 171 HB2 PHE 49 HB2 PHE 49 -2.479 3.157 -3.059 172 HB3 PHE 49 HB3 PHE 49 -1.199 4.384 -2.914 173 HD1 PHE 49 HD1 PHE 49 -2.813 1.512 -1.243 174 HD2 PHE 49 HD2 PHE 49 0.524 4.177 -1.346 175 HE1 PHE 49 HE1 PHE 49 -1.610 0.063 0.356 176 HE2 PHE 49 HE2 PHE 49 1.732 2.727 0.250 177 HZ PHE 49 HZ PHE 49 0.664 0.670 1.103 178 H LYS 50 H LYS 50 -1.070 6.446 -2.020 179 HA LYS 50 HA LYS 50 -0.126 6.665 0.624 180 HB2 LYS 50 HB2 LYS 50 1.177 8.515 -0.119 181 HB3 LYS 50 HB3 LYS 50 1.195 7.229 -1.349 182 HG2 LYS 50 HG2 LYS 50 -0.485 8.474 -2.663 183 HG3 LYS 50 HG3 LYS 50 -0.470 9.768 -1.442 184 HD2 LYS 50 HD2 LYS 50 1.963 10.093 -1.874 185 HD3 LYS 50 HD3 LYS 50 1.864 8.874 -3.169 186 HE2 LYS 50 HE2 LYS 50 0.195 10.260 -4.338 187 HE3 LYS 50 HE3 LYS 50 0.319 11.483 -3.052 188 HZ1 LYS 50 HZ1 LYS 50 1.668 12.052 -4.955 189 HZ2 LYS 50 HZ2 LYS 50 2.629 11.776 -3.642 190 HZ3 LYS 50 HZ3 LYS 50 2.514 10.641 -4.834 191 H ARG 51 H ARG 51 -2.665 8.310 -1.109 192 HA ARG 51 HA ARG 51 -3.083 10.426 0.720 193 HB2 ARG 51 HB2 ARG 51 -3.952 10.522 -1.481 194 HB3 ARG 51 HB3 ARG 51 -5.033 9.153 -1.130 195 HG2 ARG 51 HG2 ARG 51 -6.238 10.480 0.514 196 HG3 ARG 51 HG3 ARG 51 -5.109 11.837 0.281 197 HD2 ARG 51 HD2 ARG 51 -5.878 12.093 -1.991 198 HD3 ARG 51 HD3 ARG 51 -6.992 10.724 -1.773 199 HE ARG 51 HE ARG 51 -7.697 12.789 0.146 200 HH11 ARG 51 HH11 ARG 51 -7.759 12.254 -3.299 201 HH12 ARG 51 HH12 ARG 51 -9.155 13.303 -3.443 202 HH21 ARG 51 HH21 ARG 51 -9.292 14.000 -0.004 203 HH22 ARG 51 HH22 ARG 51 -10.030 14.300 -1.565 204 H ALA 52 H ALA 52 -4.454 7.165 0.475 205 HA ALA 52 HA ALA 52 -6.177 7.412 2.715 206 HB1 ALA 52 HB1 ALA 52 -5.061 4.785 1.825 207 HB2 ALA 52 HB2 ALA 52 -6.679 5.175 2.412 208 HB3 ALA 52 HB3 ALA 52 -6.185 5.672 0.794 209 H MET 53 H MET 53 -2.839 6.377 2.317 210 HA MET 53 HA MET 53 -2.536 5.500 5.030 211 HB2 MET 53 HB2 MET 53 -0.510 6.195 2.917 212 HB3 MET 53 HB3 MET 53 -0.121 5.491 4.506 213 HG2 MET 53 HG2 MET 53 -1.834 4.199 2.359 214 HG3 MET 53 HG3 MET 53 -0.136 3.798 2.709 215 HE1 MET 53 HE1 MET 53 -2.427 0.744 3.997 216 HE2 MET 53 HE2 MET 53 -2.865 1.859 2.680 217 HE3 MET 53 HE3 MET 53 -1.205 1.228 2.795 218 H GLY 54 H GLY 54 -2.431 8.529 3.406 219 HA2 GLY 54 HA2 GLY 54 -2.211 10.660 4.250 220 HA3 GLY 54 HA3 GLY 54 -2.128 9.955 5.858 221 H ILE 55 H ILE 55 0.042 9.250 3.159 222 HA ILE 55 HA ILE 55 2.245 9.203 4.923 223 HB ILE 55 HB ILE 55 2.154 9.178 1.893 224 HG12 ILE 55 HG12 ILE 55 2.626 6.965 3.871 225 HG13 ILE 55 HG13 ILE 55 1.067 7.328 3.095 226 HG21 ILE 55 HG21 ILE 55 4.486 8.370 2.017 227 HG22 ILE 55 HG22 ILE 55 4.341 10.008 2.693 228 HG23 ILE 55 HG23 ILE 55 4.475 8.607 3.781 229 HD11 ILE 55 HD11 ILE 55 2.219 5.477 1.949 230 HD12 ILE 55 HD12 ILE 55 2.064 6.894 0.885 231 HD13 ILE 55 HD13 ILE 55 3.623 6.530 1.659 232 H THR 56 H THR 56 3.333 10.860 5.729 233 HA THR 56 HA THR 56 3.071 13.493 4.529 234 HB THR 56 HB THR 56 4.179 14.344 6.542 235 HG1 THR 56 HG1 THR 56 4.399 11.578 7.245 236 HG21 THR 56 HG21 THR 56 2.505 13.619 8.208 237 HG22 THR 56 HG22 THR 56 1.747 13.912 6.625 238 HG23 THR 56 HG23 THR 56 2.061 12.248 7.167 239 HA PRO 57 HA PRO 57 7.120 13.822 2.708 240 HB2 PRO 57 HB2 PRO 57 7.869 16.342 3.462 241 HB3 PRO 57 HB3 PRO 57 6.700 16.018 2.174 242 HG2 PRO 57 HG2 PRO 57 6.185 16.714 5.086 243 HG3 PRO 57 HG3 PRO 57 5.413 17.369 3.634 244 HD2 PRO 57 HD2 PRO 57 4.175 15.439 5.097 245 HD3 PRO 57 HD3 PRO 57 4.037 15.444 3.334 246 H HIS 58 H HIS 58 6.570 13.976 6.088 247 HA HIS 58 HA HIS 58 9.340 14.092 6.863 248 HB2 HIS 58 HB2 HIS 58 6.841 13.424 8.457 249 HB3 HIS 58 HB3 HIS 58 8.473 13.566 9.154 250 HD1 HIS 58 HD1 HIS 58 9.628 16.043 8.534 251 HD2 HIS 58 HD2 HIS 58 5.419 15.836 8.600 252 HE1 HIS 58 HE1 HIS 58 8.846 18.329 8.899 253 H ASN 59 H ASN 59 6.887 11.585 6.461 254 HA ASN 59 HA ASN 59 8.980 9.556 6.898 255 HB2 ASN 59 HB2 ASN 59 7.218 7.996 7.793 256 HB3 ASN 59 HB3 ASN 59 7.286 9.679 8.369 257 HD21 ASN 59 HD21 ASN 59 5.089 8.026 8.732 258 HD22 ASN 59 HD22 ASN 59 3.758 8.654 7.816 259 H TYR 60 H TYR 60 8.092 11.102 4.428 260 HA TYR 60 HA TYR 60 6.800 9.317 2.668 261 HB2 TYR 60 HB2 TYR 60 6.931 11.705 2.256 262 HB3 TYR 60 HB3 TYR 60 8.697 11.581 2.074 263 HD1 TYR 60 HD1 TYR 60 5.456 10.541 0.561 264 HD2 TYR 60 HD2 TYR 60 9.659 10.984 -0.012 265 HE1 TYR 60 HE1 TYR 60 5.168 10.081 -1.858 266 HE2 TYR 60 HE2 TYR 60 9.388 10.528 -2.427 267 HH TYR 60 HH TYR 60 7.931 10.048 -4.110 268 H TRP 61 H TRP 61 10.247 10.084 3.109 269 HA TRP 61 HA TRP 61 11.228 8.196 1.268 270 HB2 TRP 61 HB2 TRP 61 13.404 8.544 2.297 271 HB3 TRP 61 HB3 TRP 61 12.555 10.107 2.243 272 HD1 TRP 61 HD1 TRP 61 11.789 11.105 4.423 273 HE1 TRP 61 HE1 TRP 61 12.542 10.751 6.994 274 HE3 TRP 61 HE3 TRP 61 14.192 6.660 3.875 275 HZ2 TRP 61 HZ2 TRP 61 13.936 8.813 8.384 276 HZ3 TRP 61 HZ3 TRP 61 15.210 5.587 5.787 277 HH2 TRP 61 HH2 TRP 61 15.117 6.591 8.028 278 H GLN 62 H GLN 62 10.278 7.940 4.629 279 HA GLN 62 HA GLN 62 11.353 5.378 5.139 280 HB2 GLN 62 HB2 GLN 62 9.015 6.858 6.321 281 HB3 GLN 62 HB3 GLN 62 9.564 5.269 6.907 282 HG2 GLN 62 HG2 GLN 62 11.905 6.485 7.506 283 HG3 GLN 62 HG3 GLN 62 10.973 7.785 6.727 284 HE21 GLN 62 HE21 GLN 62 12.133 7.969 9.302 285 HE22 GLN 62 HE22 GLN 62 10.856 8.104 10.464 286 H TRP 63 H TRP 63 8.102 6.405 4.115 287 HA TRP 63 HA TRP 63 7.063 3.794 3.820 288 HB2 TRP 63 HB2 TRP 63 6.218 6.537 2.971 289 HB3 TRP 63 HB3 TRP 63 5.469 5.148 2.148 290 HD1 TRP 63 HD1 TRP 63 5.619 6.959 5.344 291 HE1 TRP 63 HE1 TRP 63 3.660 6.083 6.989 292 HE3 TRP 63 HE3 TRP 63 4.102 2.952 2.609 293 HZ2 TRP 63 HZ2 TRP 63 1.853 3.993 6.955 294 HZ3 TRP 63 HZ3 TRP 63 2.300 1.551 3.404 295 HH2 TRP 63 HH2 TRP 63 1.153 2.010 5.529 296 H ALA 64 H ALA 64 8.934 5.869 1.725 297 HA ALA 64 HA ALA 64 8.412 4.571 -0.723 298 HB1 ALA 64 HB1 ALA 64 10.663 5.602 -1.375 299 HB2 ALA 64 HB2 ALA 64 9.369 6.697 -0.890 300 HB3 ALA 64 HB3 ALA 64 10.663 6.305 0.242 301 H SER 65 H SER 65 10.514 3.807 1.940 302 HA SER 65 HA SER 65 12.216 2.065 0.387 303 HB2 SER 65 HB2 SER 65 13.392 1.657 2.452 304 HB3 SER 65 HB3 SER 65 13.104 3.400 2.246 305 HG SER 65 HG SER 65 12.643 2.668 4.366 306 H ARG 66 H ARG 66 9.441 1.784 2.478 307 HA ARG 66 HA ARG 66 9.721 -1.094 2.733 308 HB2 ARG 66 HB2 ARG 66 7.932 -1.121 4.180 309 HB3 ARG 66 HB3 ARG 66 9.015 0.218 4.625 310 HG2 ARG 66 HG2 ARG 66 7.495 1.851 3.895 311 HG3 ARG 66 HG3 ARG 66 6.563 0.681 2.930 312 HD2 ARG 66 HD2 ARG 66 5.362 1.411 4.890 313 HD3 ARG 66 HD3 ARG 66 5.718 -0.331 4.938 314 HE ARG 66 HE ARG 66 7.158 0.130 6.911 315 HH11 ARG 66 HH11 ARG 66 5.994 3.102 5.507 316 HH12 ARG 66 HH12 ARG 66 6.465 3.976 6.951 317 HH21 ARG 66 HH21 ARG 66 7.712 1.118 8.568 318 HH22 ARG 66 HH22 ARG 66 7.446 2.846 8.696 319 H THR 67 H THR 67 7.944 1.230 0.854 320 HA THR 67 HA THR 67 6.055 -0.747 -0.128 321 HB THR 67 HB THR 67 5.104 1.100 -1.468 322 HG1 THR 67 HG1 THR 67 7.190 2.631 -0.246 323 HG21 THR 67 HG21 THR 67 4.330 2.483 0.426 324 HG22 THR 67 HG22 THR 67 4.340 0.755 0.855 325 HG23 THR 67 HG23 THR 67 5.635 1.826 1.440 326 H ASN 68 H ASN 68 9.153 -0.380 -0.731 327 HA ASN 68 HA ASN 68 10.575 -0.636 -2.495 328 HB2 ASN 68 HB2 ASN 68 9.108 -2.946 -2.587 329 HB3 ASN 68 HB3 ASN 68 8.417 -1.875 -3.828 330 HD21 ASN 68 HD21 ASN 68 9.579 -4.440 -4.234 331 HD22 ASN 68 HD22 ASN 68 10.954 -4.231 -5.267 332 H ASN 69 H ASN 69 9.998 1.772 -2.787 333 HA ASN 69 HA ASN 69 9.743 3.524 -4.214 334 HB2 ASN 69 HB2 ASN 69 10.973 1.717 -5.945 335 HB3 ASN 69 HB3 ASN 69 9.242 1.785 -6.353 336 HD21 ASN 69 HD21 ASN 69 10.137 2.485 -8.426 337 HD22 ASN 69 HD22 ASN 69 10.449 4.173 -8.658 338 H PHE 70 H PHE 70 7.444 2.318 -2.975 339 HA PHE 70 HA PHE 70 5.168 2.350 -3.024 340 HB2 PHE 70 HB2 PHE 70 5.638 4.493 -5.125 341 HB3 PHE 70 HB3 PHE 70 4.109 4.207 -4.263 342 HD1 PHE 70 HD1 PHE 70 4.028 4.546 -1.793 343 HD2 PHE 70 HD2 PHE 70 7.327 5.796 -4.200 344 HE1 PHE 70 HE1 PHE 70 4.743 6.095 -0.003 345 HE2 PHE 70 HE2 PHE 70 8.048 7.344 -2.413 346 HZ PHE 70 HZ PHE 70 6.755 7.493 -0.314 347 H LYS 71 H LYS 71 6.543 0.462 -4.757 348 HA LYS 71 HA LYS 71 4.679 0.179 -6.991 349 HB2 LYS 71 HB2 LYS 71 7.128 -1.386 -6.206 350 HB3 LYS 71 HB3 LYS 71 6.089 -1.774 -7.597 351 HG2 LYS 71 HG2 LYS 71 7.496 0.889 -7.253 352 HG3 LYS 71 HG3 LYS 71 8.208 -0.485 -8.131 353 HD2 LYS 71 HD2 LYS 71 5.508 0.733 -8.787 354 HD3 LYS 71 HD3 LYS 71 7.028 1.209 -9.582 355 HE2 LYS 71 HE2 LYS 71 5.934 -1.618 -9.510 356 HE3 LYS 71 HE3 LYS 71 5.692 -0.481 -10.857 357 HZ1 LYS 71 HZ1 LYS 71 7.545 -1.956 -11.258 358 HZ2 LYS 71 HZ2 LYS 71 8.079 -0.400 -11.129 359 HZ3 LYS 71 HZ3 LYS 71 8.302 -1.454 -9.881 360 H LEU 72 H LEU 72 2.758 -0.505 -6.180 361 HA LEU 72 HA LEU 72 2.783 -3.062 -4.719 362 HB2 LEU 72 HB2 LEU 72 0.855 -0.859 -4.509 363 HB3 LEU 72 HB3 LEU 72 0.738 -2.308 -3.485 364 HG LEU 72 HG LEU 72 3.262 -1.407 -2.894 365 HD11 LEU 72 HD11 LEU 72 3.036 1.049 -2.439 366 HD12 LEU 72 HD12 LEU 72 2.886 0.697 -4.177 367 HD13 LEU 72 HD13 LEU 72 1.432 1.028 -3.206 368 HD21 LEU 72 HD21 LEU 72 2.288 -0.637 -0.759 369 HD22 LEU 72 HD22 LEU 72 0.668 -0.698 -1.497 370 HD23 LEU 72 HD23 LEU 72 1.613 -2.192 -1.300 371 H LEU 73 H LEU 73 1.110 -4.532 -5.196 372 HA LEU 73 HA LEU 73 -0.295 -3.993 -7.722 373 HB2 LEU 73 HB2 LEU 73 0.928 -6.666 -7.185 374 HB3 LEU 73 HB3 LEU 73 0.451 -5.946 -8.722 375 HG LEU 73 HG LEU 73 2.431 -4.273 -8.079 376 HD11 LEU 73 HD11 LEU 73 2.674 -6.353 -6.159 377 HD12 LEU 73 HD12 LEU 73 3.722 -4.958 -6.414 378 HD13 LEU 73 HD13 LEU 73 4.035 -6.464 -7.275 379 HD21 LEU 73 HD21 LEU 73 2.287 -5.480 -10.159 380 HD22 LEU 73 HD22 LEU 73 2.718 -6.991 -9.355 381 HD23 LEU 73 HD23 LEU 73 3.902 -5.688 -9.480 382 H THR 74 H THR 74 -2.115 -5.396 -8.139 383 HA THR 74 HA THR 74 -3.059 -7.239 -6.187 384 HB THR 74 HB THR 74 -3.552 -5.158 -4.951 385 HG1 THR 74 HG1 THR 74 -5.808 -5.655 -4.671 386 HG21 THR 74 HG21 THR 74 -5.278 -3.621 -5.823 387 HG22 THR 74 HG22 THR 74 -3.858 -3.665 -6.896 388 HG23 THR 74 HG23 THR 74 -5.337 -4.547 -7.341 389 H ASP 75 H ASP 75 -5.004 -8.295 -6.825 390 HA ASP 75 HA ASP 75 -6.290 -7.362 -9.278 391 HB2 ASP 75 HB2 ASP 75 -4.553 -9.141 -9.946 392 HB3 ASP 75 HB3 ASP 75 -5.467 -10.143 -8.790 393 H GLY 76 H GLY 76 -8.130 -6.808 -8.156 394 HA2 GLY 76 HA2 GLY 76 -10.177 -7.132 -7.170 395 HA3 GLY 76 HA3 GLY 76 -10.055 -8.800 -7.708 396 H GLU 77 H GLU 77 -7.687 -7.399 -5.560 397 HA GLU 77 HA GLU 77 -8.770 -8.878 -3.293 398 HB2 GLU 77 HB2 GLU 77 -6.137 -9.505 -4.606 399 HB3 GLU 77 HB3 GLU 77 -6.585 -10.038 -2.967 400 HG2 GLU 77 HG2 GLU 77 -8.524 -11.347 -3.976 401 HG3 GLU 77 HG3 GLU 77 -7.975 -10.689 -5.533 402 H TRP 78 H TRP 78 -6.718 -8.831 -1.567 403 HA TRP 78 HA TRP 78 -6.395 -6.134 -0.817 404 HB2 TRP 78 HB2 TRP 78 -5.006 -6.941 0.947 405 HB3 TRP 78 HB3 TRP 78 -6.263 -8.152 0.700 406 HD1 TRP 78 HD1 TRP 78 -4.583 -9.299 -1.990 407 HE1 TRP 78 HE1 TRP 78 -2.651 -10.924 -1.495 408 HE3 TRP 78 HE3 TRP 78 -3.806 -8.160 2.933 409 HZ2 TRP 78 HZ2 TRP 78 -1.013 -11.632 0.692 410 HZ3 TRP 78 HZ3 TRP 78 -2.038 -9.357 4.154 411 HH2 TRP 78 HH2 TRP 78 -0.671 -11.056 3.056 412 H VAL 79 H VAL 79 -4.544 -4.808 -0.819 413 HA VAL 79 HA VAL 79 -2.820 -5.190 -3.119 414 HB VAL 79 HB VAL 79 -3.025 -2.885 -1.160 415 HG11 VAL 79 HG11 VAL 79 -1.629 -1.655 -2.787 416 HG12 VAL 79 HG12 VAL 79 -0.758 -3.058 -2.127 417 HG13 VAL 79 HG13 VAL 79 -1.461 -3.135 -3.761 418 HG21 VAL 79 HG21 VAL 79 -4.085 -1.708 -3.019 419 HG22 VAL 79 HG22 VAL 79 -4.004 -3.189 -4.002 420 HG23 VAL 79 HG23 VAL 79 -5.006 -3.150 -2.530 421 H TRP 80 H TRP 80 -0.707 -5.717 -3.078 422 HA TRP 80 HA TRP 80 0.668 -5.739 -0.477 423 HB2 TRP 80 HB2 TRP 80 1.817 -7.831 -1.085 424 HB3 TRP 80 HB3 TRP 80 0.053 -8.066 -1.112 425 HD1 TRP 80 HD1 TRP 80 3.042 -7.865 -3.284 426 HE1 TRP 80 HE1 TRP 80 2.462 -8.895 -5.716 427 HE3 TRP 80 HE3 TRP 80 -1.971 -8.433 -2.661 428 HZ2 TRP 80 HZ2 TRP 80 0.167 -9.760 -6.987 429 HZ3 TRP 80 HZ3 TRP 80 -3.320 -9.340 -4.451 430 HH2 TRP 80 HH2 TRP 80 -2.331 -10.013 -6.596 431 H VAL 81 H VAL 81 3.043 -5.675 -0.663 432 HA VAL 81 HA VAL 81 3.800 -3.769 -2.725 433 HB VAL 81 HB VAL 81 5.305 -4.750 -0.281 434 HG11 VAL 81 HG11 VAL 81 6.880 -2.909 -0.772 435 HG12 VAL 81 HG12 VAL 81 6.852 -4.096 -2.097 436 HG13 VAL 81 HG13 VAL 81 5.992 -2.547 -2.272 437 HG21 VAL 81 HG21 VAL 81 4.864 -2.512 0.592 438 HG22 VAL 81 HG22 VAL 81 3.903 -2.137 -0.858 439 HG23 VAL 81 HG23 VAL 81 3.363 -3.409 0.264 440 H GLU 82 H GLU 82 5.133 -4.171 -4.392 441 HA GLU 82 HA GLU 82 5.653 -6.732 -5.307 442 HB2 GLU 82 HB2 GLU 82 5.694 -4.741 -6.708 443 HB3 GLU 82 HB3 GLU 82 7.191 -4.211 -5.900 444 HG2 GLU 82 HG2 GLU 82 8.371 -6.258 -6.847 445 HG3 GLU 82 HG3 GLU 82 6.788 -6.677 -7.543 446 H GLY 83 H GLY 83 7.135 -8.244 -4.872 447 HA2 GLY 83 HA2 GLY 83 9.368 -8.960 -4.496 448 HA3 GLY 83 HA3 GLY 83 9.700 -7.424 -3.711 449 H TYR 84 H TYR 84 6.966 -7.944 -2.305 450 HA TYR 84 HA TYR 84 8.104 -9.633 -0.181 451 HB2 TYR 84 HB2 TYR 84 5.948 -7.529 -0.074 452 HB3 TYR 84 HB3 TYR 84 6.433 -8.559 1.296 453 HD1 TYR 84 HD1 TYR 84 8.777 -8.353 2.202 454 HD2 TYR 84 HD2 TYR 84 7.198 -5.581 -0.627 455 HE1 TYR 84 HE1 TYR 84 10.562 -6.749 2.793 456 HE2 TYR 84 HE2 TYR 84 8.980 -3.961 -0.048 457 HH TYR 84 HH TYR 84 10.808 -3.543 1.234 458 H GLU 85 H GLU 85 6.868 -10.767 -2.513 459 HA GLU 85 HA GLU 85 4.363 -11.864 -1.990 460 HB2 GLU 85 HB2 GLU 85 6.775 -13.214 -3.186 461 HB3 GLU 85 HB3 GLU 85 5.097 -13.804 -3.283 462 HG2 GLU 85 HG2 GLU 85 5.488 -12.690 -5.420 463 HG3 GLU 85 HG3 GLU 85 4.537 -11.633 -4.354 464 H GLU 86 H GLU 86 7.452 -12.466 -0.492 465 HA GLU 86 HA GLU 86 6.768 -14.795 0.948 466 HB2 GLU 86 HB2 GLU 86 8.593 -14.261 2.413 467 HB3 GLU 86 HB3 GLU 86 9.052 -14.015 0.711 468 HG2 GLU 86 HG2 GLU 86 8.685 -11.495 1.066 469 HG3 GLU 86 HG3 GLU 86 8.314 -11.953 2.744 470 H HIS 87 H HIS 87 5.387 -11.789 1.053 471 HA HIS 87 HA HIS 87 4.451 -12.211 3.816 472 HB2 HIS 87 HB2 HIS 87 4.699 -9.615 2.258 473 HB3 HIS 87 HB3 HIS 87 3.889 -9.761 3.836 474 HD1 HIS 87 HD1 HIS 87 6.027 -7.836 3.933 475 HD2 HIS 87 HD2 HIS 87 6.896 -11.929 4.428 476 HE1 HIS 87 HE1 HIS 87 8.214 -7.934 5.017 477 H ILE 88 H ILE 88 3.497 -13.242 1.116 478 HA ILE 88 HA ILE 88 0.745 -12.218 1.218 479 HB ILE 88 HB ILE 88 2.154 -13.871 -0.899 480 HG12 ILE 88 HG12 ILE 88 1.039 -11.078 -0.961 481 HG13 ILE 88 HG13 ILE 88 2.754 -11.510 -0.780 482 HG21 ILE 88 HG21 ILE 88 0.056 -13.654 -2.188 483 HG22 ILE 88 HG22 ILE 88 -0.211 -14.554 -0.679 484 HG23 ILE 88 HG23 ILE 88 -0.716 -12.853 -0.799 485 HD11 ILE 88 HD11 ILE 88 2.239 -10.876 -3.103 486 HD12 ILE 88 HD12 ILE 88 2.719 -12.586 -2.996 487 HD13 ILE 88 HD13 ILE 88 1.004 -12.153 -3.178 488 H GLY 89 H GLY 89 -0.665 -13.337 2.384 489 HA2 GLY 89 HA2 GLY 89 -1.860 -15.307 2.955 490 HA3 GLY 89 HA3 GLY 89 -0.467 -16.260 2.468 491 H LYS 90 H LYS 90 1.086 -14.074 4.096 492 HA LYS 90 HA LYS 90 1.211 -15.688 6.486 493 HB2 LYS 90 HB2 LYS 90 2.713 -13.248 5.578 494 HB3 LYS 90 HB3 LYS 90 2.976 -14.030 7.155 495 HG2 LYS 90 HG2 LYS 90 4.682 -14.846 5.705 496 HG3 LYS 90 HG3 LYS 90 3.496 -16.161 5.890 497 HD2 LYS 90 HD2 LYS 90 2.422 -15.332 3.745 498 HD3 LYS 90 HD3 LYS 90 3.843 -14.281 3.539 499 HE2 LYS 90 HE2 LYS 90 5.313 -16.236 3.559 500 HE3 LYS 90 HE3 LYS 90 3.913 -17.302 3.816 501 HZ1 LYS 90 HZ1 LYS 90 4.578 -17.244 1.508 502 HZ2 LYS 90 HZ2 LYS 90 3.070 -16.598 1.679 503 HZ3 LYS 90 HZ3 LYS 90 4.370 -15.610 1.442 504 H GLN 91 H GLN 91 1.600 -14.225 8.590 505 HA GLN 91 HA GLN 91 -0.529 -12.214 8.760 506 HB2 GLN 91 HB2 GLN 91 -1.371 -14.414 9.529 507 HB3 GLN 91 HB3 GLN 91 -0.101 -14.413 10.774 508 HG2 GLN 91 HG2 GLN 91 -1.333 -12.188 11.747 509 HG3 GLN 91 HG3 GLN 91 -2.313 -12.612 10.324 510 HE21 GLN 91 HE21 GLN 91 -3.226 -12.333 13.045 511 HE22 GLN 91 HE22 GLN 91 -3.843 -13.874 13.538 512 H LEU 92 H LEU 92 1.686 -11.073 8.555 513 HA LEU 92 HA LEU 92 3.244 -11.070 11.011 514 HB2 LEU 92 HB2 LEU 92 3.491 -9.645 8.458 515 HB3 LEU 92 HB3 LEU 92 4.764 -9.491 9.690 516 HG LEU 92 HG LEU 92 3.972 -12.013 8.182 517 HD11 LEU 92 HD11 LEU 92 6.302 -11.862 7.266 518 HD12 LEU 92 HD12 LEU 92 5.353 -10.414 6.860 519 HD13 LEU 92 HD13 LEU 92 6.546 -10.354 8.178 520 HD21 LEU 92 HD21 LEU 92 5.838 -13.100 9.384 521 HD22 LEU 92 HD22 LEU 92 6.067 -11.614 10.338 522 HD23 LEU 92 HD23 LEU 92 4.552 -12.538 10.478 523 HA PRO 93 HA PRO 93 1.534 -7.413 12.778 524 HB2 PRO 93 HB2 PRO 93 3.723 -6.290 13.956 525 HB3 PRO 93 HB3 PRO 93 2.909 -7.725 14.596 526 HG2 PRO 93 HG2 PRO 93 5.391 -7.559 12.851 527 HG3 PRO 93 HG3 PRO 93 5.114 -8.541 14.295 528 HD2 PRO 93 HD2 PRO 93 4.871 -9.628 11.807 529 HD3 PRO 93 HD3 PRO 93 3.805 -10.144 13.119 530 H LEU 94 H LEU 94 1.532 -5.086 12.640 531 HA LEU 94 HA LEU 94 1.654 -4.102 10.090 532 HB2 LEU 94 HB2 LEU 94 0.477 -3.125 11.782 533 HB3 LEU 94 HB3 LEU 94 1.882 -2.553 12.711 534 HG LEU 94 HG LEU 94 2.506 -1.138 10.715 535 HD11 LEU 94 HD11 LEU 94 0.678 -0.652 9.066 536 HD12 LEU 94 HD12 LEU 94 1.152 -2.366 9.019 537 HD13 LEU 94 HD13 LEU 94 -0.339 -1.878 9.857 538 HD21 LEU 94 HD21 LEU 94 0.848 0.627 11.202 539 HD22 LEU 94 HD22 LEU 94 -0.163 -0.577 12.037 540 HD23 LEU 94 HD23 LEU 94 1.449 -0.172 12.672 541 H ASN 95 H ASN 95 4.178 -3.957 12.564 542 HA ASN 95 HA ASN 95 5.978 -2.308 11.196 543 HB2 ASN 95 HB2 ASN 95 6.710 -4.413 13.353 544 HB3 ASN 95 HB3 ASN 95 7.636 -3.276 12.342 545 HD21 ASN 95 HD21 ASN 95 7.182 -3.457 15.270 546 HD22 ASN 95 HD22 ASN 95 6.591 -1.895 15.734 547 H GLN 96 H GLN 96 5.435 -5.782 11.044 548 HA GLN 96 HA GLN 96 7.568 -6.022 9.038 549 HB2 GLN 96 HB2 GLN 96 6.096 -8.174 10.551 550 HB3 GLN 96 HB3 GLN 96 7.432 -8.426 9.402 551 HG2 GLN 96 HG2 GLN 96 7.800 -7.079 12.219 552 HG3 GLN 96 HG3 GLN 96 8.100 -8.676 11.495 553 HE21 GLN 96 HE21 GLN 96 9.494 -5.787 12.324 554 HE22 GLN 96 HE22 GLN 96 10.849 -5.796 11.244 555 H ALA 97 H ALA 97 4.632 -5.087 8.814 556 HA ALA 97 HA ALA 97 3.598 -7.094 6.951 557 HB1 ALA 97 HB1 ALA 97 1.516 -5.719 7.037 558 HB2 ALA 97 HB2 ALA 97 2.013 -6.388 8.592 559 HB3 ALA 97 HB3 ALA 97 2.310 -4.688 8.226 560 H ARG 98 H ARG 98 3.364 -6.749 4.801 561 HA ARG 98 HA ARG 98 3.921 -4.061 3.754 562 HB2 ARG 98 HB2 ARG 98 5.079 -6.539 2.585 563 HB3 ARG 98 HB3 ARG 98 5.220 -4.880 1.957 564 HG2 ARG 98 HG2 ARG 98 6.237 -5.738 4.679 565 HG3 ARG 98 HG3 ARG 98 7.240 -5.750 3.206 566 HD2 ARG 98 HD2 ARG 98 6.810 -3.342 2.968 567 HD3 ARG 98 HD3 ARG 98 5.961 -3.382 4.531 568 HE ARG 98 HE ARG 98 8.931 -3.492 4.242 569 HH11 ARG 98 HH11 ARG 98 6.185 -3.842 6.363 570 HH12 ARG 98 HH12 ARG 98 7.235 -3.689 7.757 571 HH21 ARG 98 HH21 ARG 98 10.146 -3.305 5.829 572 HH22 ARG 98 HH22 ARG 98 9.494 -3.382 7.455 573 H ALA 99 H ALA 99 1.386 -5.170 4.165 574 HA ALA 99 HA ALA 99 0.314 -5.076 1.499 575 HB1 ALA 99 HB1 ALA 99 0.439 -7.650 3.004 576 HB2 ALA 99 HB2 ALA 99 -0.951 -7.315 1.971 577 HB3 ALA 99 HB3 ALA 99 0.673 -7.338 1.284 578 H TRP 100 H TRP 100 -1.773 -4.383 1.481 579 HA TRP 100 HA TRP 100 -3.283 -4.429 3.994 580 HB2 TRP 100 HB2 TRP 100 -2.980 -1.932 2.282 581 HB3 TRP 100 HB3 TRP 100 -3.905 -2.078 3.794 582 HD1 TRP 100 HD1 TRP 100 -2.717 -1.774 5.901 583 HE1 TRP 100 HE1 TRP 100 -0.198 -1.120 6.637 584 HE3 TRP 100 HE3 TRP 100 -0.456 -2.379 1.389 585 HZ2 TRP 100 HZ2 TRP 100 2.243 -0.951 5.354 586 HZ3 TRP 100 HZ3 TRP 100 1.917 -1.977 1.156 587 HH2 TRP 100 HH2 TRP 100 3.297 -1.277 3.065 588 H SER 101 H SER 101 -5.604 -3.777 3.629 589 HA SER 101 HA SER 101 -6.534 -5.177 1.241 590 HB2 SER 101 HB2 SER 101 -7.424 -6.019 3.278 591 HB3 SER 101 HB3 SER 101 -7.900 -4.388 3.806 592 HG SER 101 HG SER 101 -9.644 -5.636 2.960 593 H TRP 102 H TRP 102 -7.996 -4.302 -0.229 594 HA TRP 102 HA TRP 102 -8.199 -1.554 -0.669 595 HB2 TRP 102 HB2 TRP 102 -9.643 -3.967 -1.603 596 HB3 TRP 102 HB3 TRP 102 -10.499 -2.436 -1.778 597 HD1 TRP 102 HD1 TRP 102 -8.444 -4.579 -3.765 598 HE1 TRP 102 HE1 TRP 102 -7.196 -3.303 -5.620 599 HE3 TRP 102 HE3 TRP 102 -9.016 0.185 -2.000 600 HZ2 TRP 102 HZ2 TRP 102 -6.541 -0.631 -6.252 601 HZ3 TRP 102 HZ3 TRP 102 -8.050 2.044 -3.290 602 HH2 TRP 102 HH2 TRP 102 -6.838 1.642 -5.372 603 H GLU 103 H GLU 103 -10.057 -3.686 1.395 604 HA GLU 103 HA GLU 103 -12.131 -1.842 2.006 605 HB2 GLU 103 HB2 GLU 103 -11.067 -4.252 3.455 606 HB3 GLU 103 HB3 GLU 103 -12.452 -3.294 4.033 607 HG2 GLU 103 HG2 GLU 103 -13.713 -3.881 1.922 608 HG3 GLU 103 HG3 GLU 103 -12.222 -4.700 1.405 609 H PHE 104 H PHE 104 -8.967 -2.515 3.399 610 HA PHE 104 HA PHE 104 -9.171 -0.714 5.577 611 HB2 PHE 104 HB2 PHE 104 -7.427 -2.443 5.516 612 HB3 PHE 104 HB3 PHE 104 -6.697 -1.668 4.092 613 HD1 PHE 104 HD1 PHE 104 -7.433 -1.234 7.692 614 HD2 PHE 104 HD2 PHE 104 -5.197 0.100 4.304 615 HE1 PHE 104 HE1 PHE 104 -6.014 0.146 9.173 616 HE2 PHE 104 HE2 PHE 104 -3.776 1.480 5.782 617 HZ PHE 104 HZ PHE 104 -4.187 1.503 8.218 618 H ILE 105 H ILE 105 -7.974 -0.363 2.261 619 HA ILE 105 HA ILE 105 -7.056 2.280 2.483 620 HB ILE 105 HB ILE 105 -8.050 0.722 0.084 621 HG12 ILE 105 HG12 ILE 105 -5.269 1.573 0.831 622 HG13 ILE 105 HG13 ILE 105 -5.992 0.016 1.301 623 HG21 ILE 105 HG21 ILE 105 -7.036 2.503 -1.297 624 HG22 ILE 105 HG22 ILE 105 -8.373 3.140 -0.313 625 HG23 ILE 105 HG23 ILE 105 -6.689 3.445 0.172 626 HD11 ILE 105 HD11 ILE 105 -4.583 -0.227 -0.705 627 HD12 ILE 105 HD12 ILE 105 -6.292 -0.564 -1.075 628 HD13 ILE 105 HD13 ILE 105 -5.568 0.992 -1.545 629 H LYS 106 H LYS 106 -10.213 0.979 1.538 630 HA LYS 106 HA LYS 106 -11.405 3.456 0.896 631 HB2 LYS 106 HB2 LYS 106 -12.534 0.796 1.709 632 HB3 LYS 106 HB3 LYS 106 -13.565 2.199 1.340 633 HG2 LYS 106 HG2 LYS 106 -12.743 2.283 -0.931 634 HG3 LYS 106 HG3 LYS 106 -11.542 1.015 -0.587 635 HD2 LYS 106 HD2 LYS 106 -13.378 -0.004 -1.761 636 HD3 LYS 106 HD3 LYS 106 -13.434 -0.543 -0.067 637 HE2 LYS 106 HE2 LYS 106 -15.159 1.113 0.429 638 HE3 LYS 106 HE3 LYS 106 -15.080 1.717 -1.243 639 HZ1 LYS 106 HZ1 LYS 106 -16.920 0.206 -0.930 640 HZ2 LYS 106 HZ2 LYS 106 -15.832 -0.440 -1.988 641 HZ3 LYS 106 HZ3 LYS 106 -15.907 -0.999 -0.437 642 H ASN 107 H ASN 107 -11.176 1.620 3.902 643 HA ASN 107 HA ASN 107 -12.973 3.157 5.423 644 HB2 ASN 107 HB2 ASN 107 -10.646 1.412 6.491 645 HB3 ASN 107 HB3 ASN 107 -11.813 2.519 7.252 646 HD21 ASN 107 HD21 ASN 107 -11.412 -0.405 7.459 647 HD22 ASN 107 HD22 ASN 107 -12.953 -1.106 7.092 648 H ARG 108 H ARG 108 -9.516 3.506 4.804 649 HA ARG 108 HA ARG 108 -9.158 5.692 6.605 650 HB2 ARG 108 HB2 ARG 108 -7.422 4.700 4.409 651 HB3 ARG 108 HB3 ARG 108 -7.016 6.037 5.509 652 HG2 ARG 108 HG2 ARG 108 -7.611 3.192 6.375 653 HG3 ARG 108 HG3 ARG 108 -5.979 3.870 6.160 654 HD2 ARG 108 HD2 ARG 108 -6.492 5.530 7.884 655 HD3 ARG 108 HD3 ARG 108 -8.061 4.731 8.141 656 HE ARG 108 HE ARG 108 -5.882 2.830 8.621 657 HH11 ARG 108 HH11 ARG 108 -7.468 5.573 10.076 658 HH12 ARG 108 HH12 ARG 108 -7.052 4.977 11.670 659 HH21 ARG 108 HH21 ARG 108 -5.389 2.139 10.439 660 HH22 ARG 108 HH22 ARG 108 -5.863 3.019 11.879 661 H LEU 109 H LEU 109 -9.818 5.385 3.158 662 HA LEU 109 HA LEU 109 -9.615 8.126 2.512 663 HB2 LEU 109 HB2 LEU 109 -11.090 5.852 1.414 664 HB3 LEU 109 HB3 LEU 109 -11.196 7.402 0.546 665 HG LEU 109 HG LEU 109 -8.658 5.801 1.064 666 HD11 LEU 109 HD11 LEU 109 -8.669 5.462 -1.422 667 HD12 LEU 109 HD12 LEU 109 -10.128 4.779 -0.671 668 HD13 LEU 109 HD13 LEU 109 -10.212 6.339 -1.520 669 HD21 LEU 109 HD21 LEU 109 -7.566 7.458 -0.408 670 HD22 LEU 109 HD22 LEU 109 -9.090 8.374 -0.480 671 HD23 LEU 109 HD23 LEU 109 -8.236 8.190 1.069 672 H LYS 110 H LYS 110 -12.188 6.173 3.867 673 HA LYS 110 HA LYS 110 -14.225 8.150 3.699 674 HB2 LYS 110 HB2 LYS 110 -13.859 5.715 5.413 675 HB3 LYS 110 HB3 LYS 110 -15.268 6.791 5.568 676 HG2 LYS 110 HG2 LYS 110 -15.888 6.347 3.240 677 HG3 LYS 110 HG3 LYS 110 -14.456 5.309 3.044 678 HD2 LYS 110 HD2 LYS 110 -15.315 3.789 4.781 679 HD3 LYS 110 HD3 LYS 110 -16.749 4.825 4.975 680 HE2 LYS 110 HE2 LYS 110 -17.376 4.408 2.641 681 HE3 LYS 110 HE3 LYS 110 -15.935 3.390 2.430 682 HZ1 LYS 110 HZ1 LYS 110 -17.900 2.074 2.853 683 HZ2 LYS 110 HZ2 LYS 110 -16.824 1.899 4.092 684 HZ3 LYS 110 HZ3 LYS 110 -18.162 2.846 4.287 685 H GLU 111 H GLU 111 -11.704 7.419 6.023 686 HA GLU 111 HA GLU 111 -12.683 9.065 8.116 687 HB2 GLU 111 HB2 GLU 111 -9.964 7.963 7.482 688 HB3 GLU 111 HB3 GLU 111 -10.282 8.980 8.909 689 HG2 GLU 111 HG2 GLU 111 -11.924 7.240 9.742 690 HG3 GLU 111 HG3 GLU 111 -11.587 6.379 8.225 691 H LEU 112 H LEU 112 -10.887 9.687 5.222 692 HA LEU 112 HA LEU 112 -10.357 12.443 6.108 693 HB2 LEU 112 HB2 LEU 112 -8.730 12.523 4.247 694 HB3 LEU 112 HB3 LEU 112 -8.348 11.313 5.471 695 HG LEU 112 HG LEU 112 -9.548 9.680 3.821 696 HD11 LEU 112 HD11 LEU 112 -10.412 11.001 2.149 697 HD12 LEU 112 HD12 LEU 112 -8.873 10.507 1.441 698 HD13 LEU 112 HD13 LEU 112 -9.037 12.108 2.163 699 HD21 LEU 112 HD21 LEU 112 -7.171 9.624 4.474 700 HD22 LEU 112 HD22 LEU 112 -6.812 10.795 3.203 701 HD23 LEU 112 HD23 LEU 112 -7.418 9.192 2.783 702 H ASN 113 H ASN 113 -12.604 10.755 4.475 703 HA ASN 113 HA ASN 113 -12.985 12.257 2.110 704 HB2 ASN 113 HB2 ASN 113 -14.209 9.919 2.684 705 HB3 ASN 113 HB3 ASN 113 -15.012 11.113 3.733 706 HD21 ASN 113 HD21 ASN 113 -16.968 11.393 2.994 707 HD22 ASN 113 HD22 ASN 113 -17.405 11.707 1.347 708 H LEU 114 H LEU 114 -13.926 12.752 5.437 709 HA LEU 114 HA LEU 114 -15.240 15.269 4.649 710 HB2 LEU 114 HB2 LEU 114 -15.692 13.493 6.941 711 HB3 LEU 114 HB3 LEU 114 -16.583 15.027 6.811 712 HG LEU 114 HG LEU 114 -16.776 12.654 4.915 713 HD11 LEU 114 HD11 LEU 114 -19.127 12.494 5.780 714 HD12 LEU 114 HD12 LEU 114 -17.941 12.297 7.092 715 HD13 LEU 114 HD13 LEU 114 -18.795 13.845 6.887 716 HD21 LEU 114 HD21 LEU 114 -18.581 13.932 3.815 717 HD22 LEU 114 HD22 LEU 114 -18.232 15.312 4.885 718 HD23 LEU 114 HD23 LEU 114 -17.004 14.753 3.724 Start of MODEL 6 1 H1 GLY 29 H1 GLY 29 5.718 7.402 -8.129 2 H2 GLY 29 H2 GLY 29 4.866 6.207 -7.823 3 H3 GLY 29 H3 GLY 29 6.239 6.022 -8.399 4 HA2 GLY 29 HA2 GLY 29 3.850 6.241 -9.892 5 HA3 GLY 29 HA3 GLY 29 4.849 7.642 -10.250 6 H SER 30 H SER 30 4.460 6.060 -12.483 7 HA SER 30 HA SER 30 6.020 3.606 -12.093 8 HB2 SER 30 HB2 SER 30 3.972 2.284 -12.680 9 HB3 SER 30 HB3 SER 30 3.957 3.057 -11.079 10 HG SER 30 HG SER 30 1.990 3.334 -12.217 11 H GLU 31 H GLU 31 7.256 4.535 -13.872 12 HA GLU 31 HA GLU 31 6.117 4.452 -16.505 13 HB2 GLU 31 HB2 GLU 31 8.969 4.377 -15.547 14 HB3 GLU 31 HB3 GLU 31 8.483 4.440 -17.259 15 HG2 GLU 31 HG2 GLU 31 7.406 6.694 -16.839 16 HG3 GLU 31 HG3 GLU 31 7.858 6.452 -15.137 17 H GLU 32 H GLU 32 5.256 2.197 -15.322 18 HA GLU 32 HA GLU 32 6.229 0.150 -17.033 19 HB2 GLU 32 HB2 GLU 32 8.035 0.159 -15.385 20 HB3 GLU 32 HB3 GLU 32 6.842 -0.144 -14.099 21 HG2 GLU 32 HG2 GLU 32 6.305 -2.383 -15.206 22 HG3 GLU 32 HG3 GLU 32 7.520 -1.908 -16.414 23 H LYS 33 H LYS 33 4.704 -1.446 -17.273 24 HA LYS 33 HA LYS 33 2.146 -0.507 -16.361 25 HB2 LYS 33 HB2 LYS 33 2.601 -1.155 -18.692 26 HB3 LYS 33 HB3 LYS 33 2.794 -2.838 -18.150 27 HG2 LYS 33 HG2 LYS 33 0.464 -2.894 -17.413 28 HG3 LYS 33 HG3 LYS 33 0.258 -1.189 -17.882 29 HD2 LYS 33 HD2 LYS 33 0.645 -1.734 -20.215 30 HD3 LYS 33 HD3 LYS 33 1.017 -3.422 -19.793 31 HE2 LYS 33 HE2 LYS 33 -1.238 -3.317 -20.642 32 HE3 LYS 33 HE3 LYS 33 -1.289 -3.667 -18.898 33 HZ1 LYS 33 HZ1 LYS 33 -2.906 -2.003 -19.519 34 HZ2 LYS 33 HZ2 LYS 33 -1.776 -1.346 -18.514 35 HZ3 LYS 33 HZ3 LYS 33 -1.728 -1.022 -20.130 36 H GLU 34 H GLU 34 3.481 -3.819 -16.505 37 HA GLU 34 HA GLU 34 2.597 -4.523 -13.893 38 HB2 GLU 34 HB2 GLU 34 0.775 -5.997 -14.481 39 HB3 GLU 34 HB3 GLU 34 0.418 -4.302 -14.889 40 HG2 GLU 34 HG2 GLU 34 1.028 -4.877 -17.334 41 HG3 GLU 34 HG3 GLU 34 1.217 -6.531 -16.709 42 H GLU 35 H GLU 35 2.705 -6.930 -13.555 43 HA GLU 35 HA GLU 35 4.983 -7.981 -15.029 44 HB2 GLU 35 HB2 GLU 35 3.538 -8.981 -12.585 45 HB3 GLU 35 HB3 GLU 35 4.951 -9.775 -13.322 46 HG2 GLU 35 HG2 GLU 35 6.306 -7.656 -12.839 47 HG3 GLU 35 HG3 GLU 35 4.796 -7.039 -12.130 48 H LYS 36 H LYS 36 1.911 -7.913 -15.764 49 HA LYS 36 HA LYS 36 0.492 -9.173 -17.019 50 HB2 LYS 36 HB2 LYS 36 2.904 -10.938 -17.393 51 HB3 LYS 36 HB3 LYS 36 1.395 -11.015 -18.335 52 HG2 LYS 36 HG2 LYS 36 1.822 -8.691 -19.128 53 HG3 LYS 36 HG3 LYS 36 3.378 -8.716 -18.265 54 HD2 LYS 36 HD2 LYS 36 4.050 -10.698 -19.621 55 HD3 LYS 36 HD3 LYS 36 2.529 -10.547 -20.535 56 HE2 LYS 36 HE2 LYS 36 3.184 -8.276 -21.234 57 HE3 LYS 36 HE3 LYS 36 4.710 -8.446 -20.339 58 HZ1 LYS 36 HZ1 LYS 36 4.993 -8.913 -22.678 59 HZ2 LYS 36 HZ2 LYS 36 5.282 -10.274 -21.789 60 HZ3 LYS 36 HZ3 LYS 36 3.865 -10.115 -22.619 61 H LYS 37 H LYS 37 0.922 -9.688 -14.128 62 HA LYS 37 HA LYS 37 -0.561 -12.212 -14.079 63 HB2 LYS 37 HB2 LYS 37 1.695 -11.536 -12.202 64 HB3 LYS 37 HB3 LYS 37 0.609 -12.939 -12.060 65 HG2 LYS 37 HG2 LYS 37 1.445 -13.800 -14.214 66 HG3 LYS 37 HG3 LYS 37 2.539 -12.403 -14.344 67 HD2 LYS 37 HD2 LYS 37 2.577 -14.421 -12.075 68 HD3 LYS 37 HD3 LYS 37 3.647 -14.484 -13.497 69 HE2 LYS 37 HE2 LYS 37 4.559 -12.285 -12.926 70 HE3 LYS 37 HE3 LYS 37 3.468 -12.184 -11.525 71 HZ1 LYS 37 HZ1 LYS 37 5.671 -12.895 -10.887 72 HZ2 LYS 37 HZ2 LYS 37 4.583 -14.102 -10.601 73 HZ3 LYS 37 HZ3 LYS 37 5.594 -14.194 -11.900 74 H VAL 38 H VAL 38 -0.861 -9.111 -13.620 75 HA VAL 38 HA VAL 38 -2.375 -9.144 -11.170 76 HB VAL 38 HB VAL 38 -0.858 -7.362 -10.107 77 HG11 VAL 38 HG11 VAL 38 0.564 -9.083 -9.045 78 HG12 VAL 38 HG12 VAL 38 -1.113 -9.651 -9.210 79 HG13 VAL 38 HG13 VAL 38 0.138 -10.232 -10.336 80 HG21 VAL 38 HG21 VAL 38 1.514 -7.500 -10.682 81 HG22 VAL 38 HG22 VAL 38 1.121 -8.592 -12.031 82 HG23 VAL 38 HG23 VAL 38 0.529 -6.914 -12.043 83 H ARG 39 H ARG 39 -2.962 -6.820 -10.528 84 HA ARG 39 HA ARG 39 -3.667 -5.346 -12.931 85 HB2 ARG 39 HB2 ARG 39 -4.432 -4.755 -10.120 86 HB3 ARG 39 HB3 ARG 39 -5.047 -3.976 -11.596 87 HG2 ARG 39 HG2 ARG 39 -5.417 -6.883 -10.806 88 HG3 ARG 39 HG3 ARG 39 -6.654 -5.605 -10.726 89 HD2 ARG 39 HD2 ARG 39 -5.342 -6.689 -13.198 90 HD3 ARG 39 HD3 ARG 39 -6.992 -7.024 -12.625 91 HE ARG 39 HE ARG 39 -6.201 -4.546 -14.069 92 HH11 ARG 39 HH11 ARG 39 -8.612 -6.082 -12.072 93 HH12 ARG 39 HH12 ARG 39 -9.799 -4.900 -12.584 94 HH21 ARG 39 HH21 ARG 39 -7.552 -3.189 -14.673 95 HH22 ARG 39 HH22 ARG 39 -9.197 -3.250 -14.068 96 H GLU 40 H GLU 40 -3.214 -3.045 -13.172 97 HA GLU 40 HA GLU 40 -0.348 -2.961 -12.868 98 HB2 GLU 40 HB2 GLU 40 -0.354 -1.269 -14.534 99 HB3 GLU 40 HB3 GLU 40 -1.454 -2.579 -15.025 100 HG2 GLU 40 HG2 GLU 40 -3.418 -1.125 -14.271 101 HG3 GLU 40 HG3 GLU 40 -2.173 0.068 -13.836 102 H LEU 41 H LEU 41 0.717 -0.771 -12.521 103 HA LEU 41 HA LEU 41 -0.411 0.534 -10.185 104 HB2 LEU 41 HB2 LEU 41 2.083 0.695 -11.693 105 HB3 LEU 41 HB3 LEU 41 1.839 1.892 -10.401 106 HG LEU 41 HG LEU 41 1.567 -0.043 -8.797 107 HD11 LEU 41 HD11 LEU 41 2.513 -2.248 -9.531 108 HD12 LEU 41 HD12 LEU 41 1.089 -1.800 -10.500 109 HD13 LEU 41 HD13 LEU 41 2.724 -1.593 -11.173 110 HD21 LEU 41 HD21 LEU 41 3.993 -0.468 -8.600 111 HD22 LEU 41 HD22 LEU 41 4.230 0.227 -10.222 112 HD23 LEU 41 HD23 LEU 41 3.618 1.246 -8.897 113 H THR 42 H THR 42 -2.134 1.745 -10.866 114 HA THR 42 HA THR 42 -1.744 3.707 -12.988 115 HB THR 42 HB THR 42 -4.119 4.250 -12.709 116 HG1 THR 42 HG1 THR 42 -4.212 2.189 -10.741 117 HG21 THR 42 HG21 THR 42 -5.059 2.062 -13.365 118 HG22 THR 42 HG22 THR 42 -3.497 2.355 -14.167 119 HG23 THR 42 HG23 THR 42 -3.590 1.252 -12.773 120 HA PRO 43 HA PRO 43 -0.858 7.183 -10.399 121 HB2 PRO 43 HB2 PRO 43 -2.255 9.145 -11.728 122 HB3 PRO 43 HB3 PRO 43 -0.684 8.526 -12.250 123 HG2 PRO 43 HG2 PRO 43 -3.457 7.733 -13.199 124 HG3 PRO 43 HG3 PRO 43 -2.009 8.068 -14.157 125 HD2 PRO 43 HD2 PRO 43 -2.731 5.506 -13.649 126 HD3 PRO 43 HD3 PRO 43 -1.020 5.951 -13.649 127 H GLN 44 H GLN 44 -4.193 6.397 -11.214 128 HA GLN 44 HA GLN 44 -5.397 7.874 -9.109 129 HB2 GLN 44 HB2 GLN 44 -6.641 7.085 -11.045 130 HB3 GLN 44 HB3 GLN 44 -6.350 5.403 -10.544 131 HG2 GLN 44 HG2 GLN 44 -7.852 5.997 -8.356 132 HG3 GLN 44 HG3 GLN 44 -7.801 7.537 -9.245 133 HE21 GLN 44 HE21 GLN 44 -10.208 6.405 -8.530 134 HE22 GLN 44 HE22 GLN 44 -11.029 5.829 -9.944 135 H GLU 45 H GLU 45 -4.547 4.428 -9.421 136 HA GLU 45 HA GLU 45 -5.452 3.694 -6.860 137 HB2 GLU 45 HB2 GLU 45 -3.548 2.450 -8.808 138 HB3 GLU 45 HB3 GLU 45 -3.850 1.725 -7.209 139 HG2 GLU 45 HG2 GLU 45 -6.276 1.444 -7.795 140 HG3 GLU 45 HG3 GLU 45 -5.914 2.359 -9.277 141 H LEU 46 H LEU 46 -2.435 5.027 -7.992 142 HA LEU 46 HA LEU 46 -0.960 4.313 -5.623 143 HB2 LEU 46 HB2 LEU 46 -0.471 5.988 -7.967 144 HB3 LEU 46 HB3 LEU 46 0.811 5.887 -6.739 145 HG LEU 46 HG LEU 46 -0.307 3.592 -8.398 146 HD11 LEU 46 HD11 LEU 46 2.008 3.521 -9.361 147 HD12 LEU 46 HD12 LEU 46 1.237 5.096 -9.654 148 HD13 LEU 46 HD13 LEU 46 2.451 4.926 -8.364 149 HD21 LEU 46 HD21 LEU 46 1.434 2.213 -7.315 150 HD22 LEU 46 HD22 LEU 46 1.859 3.596 -6.276 151 HD23 LEU 46 HD23 LEU 46 0.245 2.854 -6.156 152 H GLU 47 H GLU 47 -2.426 7.242 -6.957 153 HA GLU 47 HA GLU 47 -1.357 8.989 -4.985 154 HB2 GLU 47 HB2 GLU 47 -3.578 9.233 -6.985 155 HB3 GLU 47 HB3 GLU 47 -3.218 10.526 -5.815 156 HG2 GLU 47 HG2 GLU 47 -0.911 10.761 -6.792 157 HG3 GLU 47 HG3 GLU 47 -1.311 9.346 -7.791 158 H LEU 48 H LEU 48 -4.476 7.357 -5.371 159 HA LEU 48 HA LEU 48 -5.722 8.483 -3.103 160 HB2 LEU 48 HB2 LEU 48 -7.422 6.920 -3.419 161 HB3 LEU 48 HB3 LEU 48 -6.783 7.212 -5.037 162 HG LEU 48 HG LEU 48 -5.366 5.072 -4.561 163 HD11 LEU 48 HD11 LEU 48 -7.711 4.541 -2.751 164 HD12 LEU 48 HD12 LEU 48 -6.113 5.003 -2.164 165 HD13 LEU 48 HD13 LEU 48 -6.321 3.501 -3.065 166 HD21 LEU 48 HD21 LEU 48 -7.006 5.193 -6.314 167 HD22 LEU 48 HD22 LEU 48 -8.323 5.039 -5.152 168 HD23 LEU 48 HD23 LEU 48 -7.230 3.683 -5.431 169 H PHE 49 H PHE 49 -3.422 5.923 -3.494 170 HA PHE 49 HA PHE 49 -3.840 4.643 -0.991 171 HB2 PHE 49 HB2 PHE 49 -2.647 3.563 -2.860 172 HB3 PHE 49 HB3 PHE 49 -1.345 4.739 -2.701 173 HD1 PHE 49 HD1 PHE 49 -2.952 1.808 -1.211 174 HD2 PHE 49 HD2 PHE 49 0.245 4.602 -0.900 175 HE1 PHE 49 HE1 PHE 49 -1.842 0.349 0.430 176 HE2 PHE 49 HE2 PHE 49 1.360 3.148 0.740 177 HZ PHE 49 HZ PHE 49 0.317 1.018 1.408 178 H LYS 50 H LYS 50 -1.244 6.844 -2.066 179 HA LYS 50 HA LYS 50 -0.217 7.302 0.525 180 HB2 LYS 50 HB2 LYS 50 1.077 9.054 -0.428 181 HB3 LYS 50 HB3 LYS 50 1.045 7.668 -1.543 182 HG2 LYS 50 HG2 LYS 50 -0.633 8.803 -2.929 183 HG3 LYS 50 HG3 LYS 50 -0.638 10.183 -1.803 184 HD2 LYS 50 HD2 LYS 50 1.783 10.526 -2.275 185 HD3 LYS 50 HD3 LYS 50 1.704 9.214 -3.476 186 HE2 LYS 50 HE2 LYS 50 0.024 10.468 -4.749 187 HE3 LYS 50 HE3 LYS 50 0.081 11.775 -3.544 188 HZ1 LYS 50 HZ1 LYS 50 1.434 12.275 -5.464 189 HZ2 LYS 50 HZ2 LYS 50 2.386 12.123 -4.126 190 HZ3 LYS 50 HZ3 LYS 50 2.333 10.910 -5.242 191 H ARG 51 H ARG 51 -2.787 8.792 -1.312 192 HA ARG 51 HA ARG 51 -3.254 11.019 0.346 193 HB2 ARG 51 HB2 ARG 51 -4.229 10.853 -1.804 194 HB3 ARG 51 HB3 ARG 51 -5.215 9.474 -1.269 195 HG2 ARG 51 HG2 ARG 51 -6.395 10.903 0.319 196 HG3 ARG 51 HG3 ARG 51 -5.374 12.287 -0.142 197 HD2 ARG 51 HD2 ARG 51 -6.297 12.224 -2.373 198 HD3 ARG 51 HD3 ARG 51 -7.312 10.835 -1.918 199 HE ARG 51 HE ARG 51 -8.022 13.065 -0.204 200 HH11 ARG 51 HH11 ARG 51 -8.236 12.166 -3.566 201 HH12 ARG 51 HH12 ARG 51 -9.692 13.127 -3.737 202 HH21 ARG 51 HH21 ARG 51 -9.684 14.176 -0.386 203 HH22 ARG 51 HH22 ARG 51 -10.519 14.275 -1.923 204 H ALA 52 H ALA 52 -4.679 7.755 0.402 205 HA ALA 52 HA ALA 52 -6.250 8.165 2.707 206 HB1 ALA 52 HB1 ALA 52 -6.859 5.979 2.511 207 HB2 ALA 52 HB2 ALA 52 -6.228 6.248 0.886 208 HB3 ALA 52 HB3 ALA 52 -5.230 5.444 2.096 209 H MET 53 H MET 53 -2.947 7.025 2.248 210 HA MET 53 HA MET 53 -2.609 6.275 5.004 211 HB2 MET 53 HB2 MET 53 -0.662 6.597 2.738 212 HB3 MET 53 HB3 MET 53 -0.216 6.035 4.366 213 HG2 MET 53 HG2 MET 53 -2.190 4.666 2.514 214 HG3 MET 53 HG3 MET 53 -0.493 4.182 2.738 215 HE1 MET 53 HE1 MET 53 -2.651 1.370 4.562 216 HE2 MET 53 HE2 MET 53 -3.152 2.306 3.132 217 HE3 MET 53 HE3 MET 53 -1.484 1.697 3.257 218 H GLY 54 H GLY 54 -2.506 9.192 3.280 219 HA2 GLY 54 HA2 GLY 54 -2.039 11.335 3.955 220 HA3 GLY 54 HA3 GLY 54 -1.987 10.713 5.597 221 H ILE 55 H ILE 55 0.083 9.904 2.830 222 HA ILE 55 HA ILE 55 2.355 9.796 4.542 223 HB ILE 55 HB ILE 55 2.147 9.620 1.523 224 HG12 ILE 55 HG12 ILE 55 2.542 7.497 3.613 225 HG13 ILE 55 HG13 ILE 55 1.005 7.883 2.805 226 HG21 ILE 55 HG21 ILE 55 4.439 8.702 1.617 227 HG22 ILE 55 HG22 ILE 55 4.398 10.376 2.215 228 HG23 ILE 55 HG23 ILE 55 4.497 9.023 3.365 229 HD11 ILE 55 HD11 ILE 55 2.080 5.915 1.782 230 HD12 ILE 55 HD12 ILE 55 1.993 7.271 0.632 231 HD13 ILE 55 HD13 ILE 55 3.530 6.884 1.441 232 H THR 56 H THR 56 3.616 11.411 5.161 233 HA THR 56 HA THR 56 3.450 13.961 3.728 234 HB THR 56 HB THR 56 4.359 15.015 5.718 235 HG1 THR 56 HG1 THR 56 4.711 12.317 6.565 236 HG21 THR 56 HG21 THR 56 2.584 14.450 7.340 237 HG22 THR 56 HG22 THR 56 1.931 14.551 5.687 238 HG23 THR 56 HG23 THR 56 2.226 12.963 6.432 239 HA PRO 57 HA PRO 57 7.574 13.893 2.151 240 HB2 PRO 57 HB2 PRO 57 8.426 16.450 2.664 241 HB3 PRO 57 HB3 PRO 57 7.322 16.028 1.348 242 HG2 PRO 57 HG2 PRO 57 6.665 17.074 4.125 243 HG3 PRO 57 HG3 PRO 57 6.024 17.598 2.561 244 HD2 PRO 57 HD2 PRO 57 4.571 15.925 4.114 245 HD3 PRO 57 HD3 PRO 57 4.590 15.690 2.360 246 H HIS 58 H HIS 58 6.909 14.443 5.462 247 HA HIS 58 HA HIS 58 9.673 14.519 6.305 248 HB2 HIS 58 HB2 HIS 58 7.098 14.316 7.905 249 HB3 HIS 58 HB3 HIS 58 8.721 14.452 8.619 250 HD1 HIS 58 HD1 HIS 58 10.069 16.707 7.860 251 HD2 HIS 58 HD2 HIS 58 5.884 16.809 7.381 252 HE1 HIS 58 HE1 HIS 58 9.458 19.071 7.771 253 H ASN 59 H ASN 59 7.184 12.148 5.829 254 HA ASN 59 HA ASN 59 9.075 10.070 6.706 255 HB2 ASN 59 HB2 ASN 59 7.212 8.737 7.764 256 HB3 ASN 59 HB3 ASN 59 7.418 10.461 8.156 257 HD21 ASN 59 HD21 ASN 59 5.113 9.196 8.797 258 HD22 ASN 59 HD22 ASN 59 3.819 9.763 7.795 259 H TYR 60 H TYR 60 8.185 11.374 4.067 260 HA TYR 60 HA TYR 60 6.905 9.409 2.510 261 HB2 TYR 60 HB2 TYR 60 7.115 11.728 1.812 262 HB3 TYR 60 HB3 TYR 60 8.880 11.530 1.682 263 HD1 TYR 60 HD1 TYR 60 5.628 10.474 0.223 264 HD2 TYR 60 HD2 TYR 60 9.862 10.578 -0.270 265 HE1 TYR 60 HE1 TYR 60 5.364 9.724 -2.125 266 HE2 TYR 60 HE2 TYR 60 9.618 9.830 -2.614 267 HH TYR 60 HH TYR 60 8.173 9.228 -4.268 268 H TRP 61 H TRP 61 10.347 10.099 3.048 269 HA TRP 61 HA TRP 61 11.363 8.098 1.359 270 HB2 TRP 61 HB2 TRP 61 13.491 8.415 2.513 271 HB3 TRP 61 HB3 TRP 61 12.708 9.999 2.300 272 HD1 TRP 61 HD1 TRP 61 11.792 11.143 4.362 273 HE1 TRP 61 HE1 TRP 61 12.380 10.949 6.993 274 HE3 TRP 61 HE3 TRP 61 14.170 6.653 4.248 275 HZ2 TRP 61 HZ2 TRP 61 13.662 9.092 8.587 276 HZ3 TRP 61 HZ3 TRP 61 15.057 5.697 6.284 277 HH2 TRP 61 HH2 TRP 61 14.836 6.843 8.448 278 H GLN 62 H GLN 62 10.110 7.987 4.606 279 HA GLN 62 HA GLN 62 11.063 5.394 5.270 280 HB2 GLN 62 HB2 GLN 62 8.733 7.019 6.259 281 HB3 GLN 62 HB3 GLN 62 9.158 5.419 6.913 282 HG2 GLN 62 HG2 GLN 62 11.533 6.555 7.608 283 HG3 GLN 62 HG3 GLN 62 10.660 7.883 6.808 284 HE21 GLN 62 HE21 GLN 62 11.686 8.106 9.393 285 HE22 GLN 62 HE22 GLN 62 10.371 8.214 10.515 286 H TRP 63 H TRP 63 8.027 6.584 3.873 287 HA TRP 63 HA TRP 63 6.888 3.986 3.565 288 HB2 TRP 63 HB2 TRP 63 6.199 6.745 2.662 289 HB3 TRP 63 HB3 TRP 63 5.448 5.388 1.828 290 HD1 TRP 63 HD1 TRP 63 5.437 7.235 5.155 291 HE1 TRP 63 HE1 TRP 63 3.449 6.407 6.563 292 HE3 TRP 63 HE3 TRP 63 3.955 3.308 2.236 293 HZ2 TRP 63 HZ2 TRP 63 1.508 4.360 6.452 294 HZ3 TRP 63 HZ3 TRP 63 2.025 1.965 2.959 295 HH2 TRP 63 HH2 TRP 63 0.827 2.481 5.022 296 H ALA 64 H ALA 64 8.989 5.993 1.654 297 HA ALA 64 HA ALA 64 8.668 4.699 -0.835 298 HB1 ALA 64 HB1 ALA 64 11.109 5.592 -1.136 299 HB2 ALA 64 HB2 ALA 64 9.752 6.715 -1.039 300 HB3 ALA 64 HB3 ALA 64 10.768 6.436 0.375 301 H SER 65 H SER 65 10.935 4.167 1.844 302 HA SER 65 HA SER 65 12.229 1.951 0.575 303 HB2 SER 65 HB2 SER 65 13.389 1.647 2.657 304 HB3 SER 65 HB3 SER 65 13.333 3.378 2.252 305 HG SER 65 HG SER 65 12.829 2.963 4.447 306 H ARG 66 H ARG 66 9.444 2.368 2.602 307 HA ARG 66 HA ARG 66 9.223 -0.345 3.453 308 HB2 ARG 66 HB2 ARG 66 8.233 1.294 4.775 309 HB3 ARG 66 HB3 ARG 66 7.220 1.850 3.422 310 HG2 ARG 66 HG2 ARG 66 6.060 -0.332 3.418 311 HG3 ARG 66 HG3 ARG 66 7.046 -0.843 4.810 312 HD2 ARG 66 HD2 ARG 66 5.209 1.526 4.824 313 HD3 ARG 66 HD3 ARG 66 4.744 -0.113 5.337 314 HE ARG 66 HE ARG 66 6.921 0.547 7.026 315 HH11 ARG 66 HH11 ARG 66 3.901 2.119 6.274 316 HH12 ARG 66 HH12 ARG 66 3.852 2.807 7.886 317 HH21 ARG 66 HH21 ARG 66 6.883 1.334 8.872 318 HH22 ARG 66 HH22 ARG 66 5.552 2.361 9.367 319 H THR 67 H THR 67 7.852 1.534 0.785 320 HA THR 67 HA THR 67 6.202 -0.747 0.002 321 HB THR 67 HB THR 67 5.091 0.819 -1.558 322 HG1 THR 67 HG1 THR 67 6.880 2.729 -0.401 323 HG21 THR 67 HG21 THR 67 4.036 2.247 0.158 324 HG22 THR 67 HG22 THR 67 4.252 0.584 0.754 325 HG23 THR 67 HG23 THR 67 5.360 1.871 1.286 326 H ASN 68 H ASN 68 9.215 -0.338 -0.457 327 HA ASN 68 HA ASN 68 10.776 -0.609 -2.100 328 HB2 ASN 68 HB2 ASN 68 9.323 -2.928 -2.273 329 HB3 ASN 68 HB3 ASN 68 8.733 -1.877 -3.582 330 HD21 ASN 68 HD21 ASN 68 9.871 -4.416 -3.944 331 HD22 ASN 68 HD22 ASN 68 11.346 -4.227 -4.834 332 H ASN 69 H ASN 69 10.025 1.818 -2.418 333 HA ASN 69 HA ASN 69 9.856 3.554 -3.877 334 HB2 ASN 69 HB2 ASN 69 11.446 1.842 -5.404 335 HB3 ASN 69 HB3 ASN 69 9.790 1.798 -6.057 336 HD21 ASN 69 HD21 ASN 69 10.932 2.573 -7.979 337 HD22 ASN 69 HD22 ASN 69 11.161 4.280 -8.167 338 H PHE 70 H PHE 70 7.493 2.185 -2.974 339 HA PHE 70 HA PHE 70 5.248 2.097 -3.348 340 HB2 PHE 70 HB2 PHE 70 5.977 4.420 -5.161 341 HB3 PHE 70 HB3 PHE 70 4.313 3.990 -4.703 342 HD1 PHE 70 HD1 PHE 70 3.585 4.190 -2.364 343 HD2 PHE 70 HD2 PHE 70 7.395 5.590 -3.698 344 HE1 PHE 70 HE1 PHE 70 3.779 5.588 -0.334 345 HE2 PHE 70 HE2 PHE 70 7.595 6.988 -1.668 346 HZ PHE 70 HZ PHE 70 5.786 6.986 0.014 347 H LYS 71 H LYS 71 6.692 0.214 -4.822 348 HA LYS 71 HA LYS 71 5.278 0.066 -7.376 349 HB2 LYS 71 HB2 LYS 71 7.337 -1.733 -6.117 350 HB3 LYS 71 HB3 LYS 71 6.559 -2.033 -7.689 351 HG2 LYS 71 HG2 LYS 71 8.404 0.258 -6.943 352 HG3 LYS 71 HG3 LYS 71 8.730 -1.064 -8.090 353 HD2 LYS 71 HD2 LYS 71 6.432 0.874 -8.453 354 HD3 LYS 71 HD3 LYS 71 8.063 1.205 -9.084 355 HE2 LYS 71 HE2 LYS 71 6.629 -1.379 -9.693 356 HE3 LYS 71 HE3 LYS 71 6.336 0.090 -10.653 357 HZ1 LYS 71 HZ1 LYS 71 8.048 -1.284 -11.629 358 HZ2 LYS 71 HZ2 LYS 71 8.688 0.159 -11.146 359 HZ3 LYS 71 HZ3 LYS 71 8.959 -1.203 -10.255 360 H LEU 72 H LEU 72 3.194 -0.041 -6.214 361 HA LEU 72 HA LEU 72 2.697 -2.451 -4.665 362 HB2 LEU 72 HB2 LEU 72 0.989 -0.194 -5.444 363 HB3 LEU 72 HB3 LEU 72 0.423 -1.399 -4.264 364 HG LEU 72 HG LEU 72 2.778 0.491 -3.894 365 HD11 LEU 72 HD11 LEU 72 1.321 1.581 -2.167 366 HD12 LEU 72 HD12 LEU 72 0.578 1.658 -3.781 367 HD13 LEU 72 HD13 LEU 72 0.005 0.463 -2.594 368 HD21 LEU 72 HD21 LEU 72 2.798 -0.340 -1.568 369 HD22 LEU 72 HD22 LEU 72 1.513 -1.499 -1.990 370 HD23 LEU 72 HD23 LEU 72 3.113 -1.624 -2.759 371 H LEU 73 H LEU 73 1.753 -4.232 -5.440 372 HA LEU 73 HA LEU 73 0.211 -4.017 -7.942 373 HB2 LEU 73 HB2 LEU 73 1.745 -6.241 -6.799 374 HB3 LEU 73 HB3 LEU 73 0.804 -6.483 -8.289 375 HG LEU 73 HG LEU 73 3.091 -4.501 -8.006 376 HD11 LEU 73 HD11 LEU 73 4.428 -6.141 -9.354 377 HD12 LEU 73 HD12 LEU 73 3.924 -6.842 -7.800 378 HD13 LEU 73 HD13 LEU 73 3.062 -7.280 -9.293 379 HD21 LEU 73 HD21 LEU 73 2.992 -4.433 -10.473 380 HD22 LEU 73 HD22 LEU 73 1.595 -5.537 -10.430 381 HD23 LEU 73 HD23 LEU 73 1.471 -3.914 -9.710 382 H THR 74 H THR 74 -1.672 -5.330 -8.130 383 HA THR 74 HA THR 74 -2.597 -6.844 -5.854 384 HB THR 74 HB THR 74 -3.220 -4.490 -5.254 385 HG1 THR 74 HG1 THR 74 -4.470 -6.207 -4.454 386 HG21 THR 74 HG21 THR 74 -5.082 -3.447 -6.496 387 HG22 THR 74 HG22 THR 74 -3.658 -3.666 -7.541 388 HG23 THR 74 HG23 THR 74 -5.040 -4.778 -7.677 389 H ASP 75 H ASP 75 -4.516 -8.068 -6.304 390 HA ASP 75 HA ASP 75 -5.585 -8.036 -8.991 391 HB2 ASP 75 HB2 ASP 75 -3.414 -9.437 -9.155 392 HB3 ASP 75 HB3 ASP 75 -4.239 -10.420 -7.921 393 H GLY 76 H GLY 76 -7.559 -7.662 -7.940 394 HA2 GLY 76 HA2 GLY 76 -9.598 -8.342 -7.134 395 HA3 GLY 76 HA3 GLY 76 -9.052 -9.993 -7.384 396 H GLU 77 H GLU 77 -7.169 -7.943 -5.337 397 HA GLU 77 HA GLU 77 -8.292 -9.117 -2.920 398 HB2 GLU 77 HB2 GLU 77 -5.509 -9.688 -3.907 399 HB3 GLU 77 HB3 GLU 77 -6.049 -9.966 -2.234 400 HG2 GLU 77 HG2 GLU 77 -7.771 -11.625 -3.123 401 HG3 GLU 77 HG3 GLU 77 -7.130 -11.207 -4.729 402 H TRP 78 H TRP 78 -6.409 -8.540 -1.092 403 HA TRP 78 HA TRP 78 -6.246 -5.774 -0.796 404 HB2 TRP 78 HB2 TRP 78 -4.572 -6.210 0.925 405 HB3 TRP 78 HB3 TRP 78 -5.884 -7.379 1.041 406 HD1 TRP 78 HD1 TRP 78 -4.047 -8.647 -1.748 407 HE1 TRP 78 HE1 TRP 78 -2.314 -10.422 -1.060 408 HE3 TRP 78 HE3 TRP 78 -3.885 -7.716 3.277 409 HZ2 TRP 78 HZ2 TRP 78 -1.048 -11.309 1.301 410 HZ3 TRP 78 HZ3 TRP 78 -2.388 -9.073 4.680 411 HH2 TRP 78 HH2 TRP 78 -0.998 -10.832 3.711 412 H VAL 79 H VAL 79 -4.327 -4.396 -0.859 413 HA VAL 79 HA VAL 79 -2.699 -4.891 -3.220 414 HB VAL 79 HB VAL 79 -2.823 -2.464 -1.404 415 HG11 VAL 79 HG11 VAL 79 -1.570 -1.336 -3.212 416 HG12 VAL 79 HG12 VAL 79 -0.636 -2.690 -2.532 417 HG13 VAL 79 HG13 VAL 79 -1.464 -2.876 -4.097 418 HG21 VAL 79 HG21 VAL 79 -4.036 -1.417 -3.247 419 HG22 VAL 79 HG22 VAL 79 -4.016 -2.960 -4.135 420 HG23 VAL 79 HG23 VAL 79 -4.901 -2.828 -2.595 421 H TRP 80 H TRP 80 -0.633 -5.520 -3.194 422 HA TRP 80 HA TRP 80 0.774 -5.540 -0.605 423 HB2 TRP 80 HB2 TRP 80 1.792 -7.686 -1.180 424 HB3 TRP 80 HB3 TRP 80 0.022 -7.829 -1.296 425 HD1 TRP 80 HD1 TRP 80 3.088 -7.545 -3.403 426 HE1 TRP 80 HE1 TRP 80 2.589 -8.601 -5.840 427 HE3 TRP 80 HE3 TRP 80 -1.890 -8.391 -2.826 428 HZ2 TRP 80 HZ2 TRP 80 0.356 -9.591 -7.134 429 HZ3 TRP 80 HZ3 TRP 80 -3.172 -9.368 -4.628 430 HH2 TRP 80 HH2 TRP 80 -2.127 -9.982 -6.766 431 H VAL 81 H VAL 81 3.079 -5.367 -0.697 432 HA VAL 81 HA VAL 81 3.980 -3.645 -2.838 433 HB VAL 81 HB VAL 81 5.438 -4.656 -0.391 434 HG11 VAL 81 HG11 VAL 81 6.215 -2.527 -2.381 435 HG12 VAL 81 HG12 VAL 81 7.069 -2.887 -0.880 436 HG13 VAL 81 HG13 VAL 81 6.999 -4.092 -2.167 437 HG21 VAL 81 HG21 VAL 81 4.380 -1.886 -0.883 438 HG22 VAL 81 HG22 VAL 81 3.423 -3.133 -0.083 439 HG23 VAL 81 HG23 VAL 81 4.942 -2.593 0.633 440 H GLU 82 H GLU 82 5.162 -4.231 -4.545 441 HA GLU 82 HA GLU 82 5.777 -6.830 -5.265 442 HB2 GLU 82 HB2 GLU 82 5.760 -4.951 -6.811 443 HB3 GLU 82 HB3 GLU 82 7.229 -4.306 -6.039 444 HG2 GLU 82 HG2 GLU 82 8.485 -6.386 -6.820 445 HG3 GLU 82 HG3 GLU 82 6.925 -6.892 -7.508 446 H GLY 83 H GLY 83 7.288 -8.258 -4.689 447 HA2 GLY 83 HA2 GLY 83 9.523 -8.867 -4.085 448 HA3 GLY 83 HA3 GLY 83 9.708 -7.292 -3.325 449 H TYR 84 H TYR 84 6.831 -7.905 -2.248 450 HA TYR 84 HA TYR 84 7.733 -9.609 -0.017 451 HB2 TYR 84 HB2 TYR 84 5.828 -7.273 0.039 452 HB3 TYR 84 HB3 TYR 84 6.160 -8.359 1.411 453 HD1 TYR 84 HD1 TYR 84 8.448 -8.383 2.429 454 HD2 TYR 84 HD2 TYR 84 7.330 -5.497 -0.504 455 HE1 TYR 84 HE1 TYR 84 10.377 -6.984 3.085 456 HE2 TYR 84 HE2 TYR 84 9.260 -4.082 0.140 457 HH TYR 84 HH TYR 84 11.063 -3.855 1.502 458 H GLU 85 H GLU 85 6.129 -10.028 -2.636 459 HA GLU 85 HA GLU 85 3.609 -11.032 -1.936 460 HB2 GLU 85 HB2 GLU 85 3.735 -12.395 -3.902 461 HB3 GLU 85 HB3 GLU 85 4.360 -10.760 -4.232 462 HG2 GLU 85 HG2 GLU 85 6.305 -13.031 -3.589 463 HG3 GLU 85 HG3 GLU 85 5.535 -12.811 -5.176 464 H GLU 86 H GLU 86 6.781 -12.176 -1.213 465 HA GLU 86 HA GLU 86 6.252 -14.822 -0.495 466 HB2 GLU 86 HB2 GLU 86 8.480 -13.875 -0.534 467 HB3 GLU 86 HB3 GLU 86 8.064 -12.817 0.835 468 HG2 GLU 86 HG2 GLU 86 7.787 -14.891 2.289 469 HG3 GLU 86 HG3 GLU 86 8.180 -15.804 0.814 470 H HIS 87 H HIS 87 5.498 -11.808 1.136 471 HA HIS 87 HA HIS 87 4.976 -13.092 3.665 472 HB2 HIS 87 HB2 HIS 87 4.588 -10.243 2.731 473 HB3 HIS 87 HB3 HIS 87 4.288 -10.792 4.379 474 HD1 HIS 87 HD1 HIS 87 6.152 -9.086 5.132 475 HD2 HIS 87 HD2 HIS 87 7.480 -12.217 2.745 476 HE1 HIS 87 HE1 HIS 87 8.654 -9.105 5.377 477 H ILE 88 H ILE 88 3.247 -12.732 0.842 478 HA ILE 88 HA ILE 88 0.630 -12.286 1.814 479 HB ILE 88 HB ILE 88 1.598 -13.705 -0.682 480 HG12 ILE 88 HG12 ILE 88 0.389 -10.982 -0.271 481 HG13 ILE 88 HG13 ILE 88 2.123 -11.330 -0.466 482 HG21 ILE 88 HG21 ILE 88 -0.730 -13.497 -1.488 483 HG22 ILE 88 HG22 ILE 88 -0.643 -14.530 -0.042 484 HG23 ILE 88 HG23 ILE 88 -1.220 -12.853 0.096 485 HD11 ILE 88 HD11 ILE 88 1.129 -10.544 -2.579 486 HD12 ILE 88 HD12 ILE 88 1.691 -12.227 -2.720 487 HD13 ILE 88 HD13 ILE 88 -0.043 -11.880 -2.523 488 H GLY 89 H GLY 89 -0.666 -13.556 2.966 489 HA2 GLY 89 HA2 GLY 89 -1.781 -15.593 3.424 490 HA3 GLY 89 HA3 GLY 89 -0.426 -16.464 2.716 491 H LYS 90 H LYS 90 0.785 -14.094 4.696 492 HA LYS 90 HA LYS 90 1.092 -15.996 6.917 493 HB2 LYS 90 HB2 LYS 90 2.781 -13.770 5.870 494 HB3 LYS 90 HB3 LYS 90 2.935 -14.290 7.564 495 HG2 LYS 90 HG2 LYS 90 4.569 -15.586 6.581 496 HG3 LYS 90 HG3 LYS 90 3.171 -16.684 6.483 497 HD2 LYS 90 HD2 LYS 90 2.793 -15.478 4.163 498 HD3 LYS 90 HD3 LYS 90 4.526 -15.105 4.317 499 HE2 LYS 90 HE2 LYS 90 3.272 -17.865 4.425 500 HE3 LYS 90 HE3 LYS 90 4.165 -17.176 3.049 501 HZ1 LYS 90 HZ1 LYS 90 5.553 -18.615 4.380 502 HZ2 LYS 90 HZ2 LYS 90 6.112 -17.064 4.454 503 HZ3 LYS 90 HZ3 LYS 90 5.283 -17.704 5.728 504 H GLN 91 H GLN 91 0.508 -15.469 8.972 505 HA GLN 91 HA GLN 91 -1.136 -13.098 9.310 506 HB2 GLN 91 HB2 GLN 91 -1.914 -15.264 10.131 507 HB3 GLN 91 HB3 GLN 91 -0.505 -15.345 11.216 508 HG2 GLN 91 HG2 GLN 91 -2.407 -14.429 12.708 509 HG3 GLN 91 HG3 GLN 91 -1.176 -13.294 12.103 510 HE21 GLN 91 HE21 GLN 91 -2.584 -11.530 12.443 511 HE22 GLN 91 HE22 GLN 91 -3.919 -11.219 11.382 512 H LEU 92 H LEU 92 0.258 -11.368 9.398 513 HA LEU 92 HA LEU 92 2.392 -11.459 11.421 514 HB2 LEU 92 HB2 LEU 92 1.959 -9.700 9.111 515 HB3 LEU 92 HB3 LEU 92 3.421 -9.548 10.113 516 HG LEU 92 HG LEU 92 2.652 -11.945 8.400 517 HD11 LEU 92 HD11 LEU 92 4.652 -11.287 7.036 518 HD12 LEU 92 HD12 LEU 92 3.435 -9.989 7.066 519 HD13 LEU 92 HD13 LEU 92 4.887 -9.873 8.089 520 HD21 LEU 92 HD21 LEU 92 4.887 -12.820 8.991 521 HD22 LEU 92 HD22 LEU 92 5.120 -11.435 10.086 522 HD23 LEU 92 HD23 LEU 92 3.831 -12.619 10.410 523 HA PRO 93 HA PRO 93 0.050 -8.454 13.709 524 HB2 PRO 93 HB2 PRO 93 1.768 -8.072 15.718 525 HB3 PRO 93 HB3 PRO 93 0.903 -9.603 15.537 526 HG2 PRO 93 HG2 PRO 93 3.713 -8.916 14.743 527 HG3 PRO 93 HG3 PRO 93 3.119 -10.343 15.611 528 HD2 PRO 93 HD2 PRO 93 3.647 -10.335 12.938 529 HD3 PRO 93 HD3 PRO 93 2.414 -11.375 13.682 530 H LEU 94 H LEU 94 0.961 -7.265 11.500 531 HA LEU 94 HA LEU 94 1.819 -5.371 10.573 532 HB2 LEU 94 HB2 LEU 94 1.567 -4.482 13.360 533 HB3 LEU 94 HB3 LEU 94 1.723 -3.304 12.036 534 HG LEU 94 HG LEU 94 -0.601 -5.199 12.555 535 HD11 LEU 94 HD11 LEU 94 -1.900 -3.069 12.821 536 HD12 LEU 94 HD12 LEU 94 -0.566 -3.164 13.994 537 HD13 LEU 94 HD13 LEU 94 -0.406 -2.142 12.546 538 HD21 LEU 94 HD21 LEU 94 -1.671 -4.156 10.587 539 HD22 LEU 94 HD22 LEU 94 -0.168 -3.254 10.269 540 HD23 LEU 94 HD23 LEU 94 -0.178 -5.032 10.172 541 H ASN 95 H ASN 95 3.680 -7.339 11.728 542 HA ASN 95 HA ASN 95 5.912 -5.744 12.678 543 HB2 ASN 95 HB2 ASN 95 5.479 -8.260 13.540 544 HB3 ASN 95 HB3 ASN 95 5.886 -8.449 11.817 545 HD21 ASN 95 HD21 ASN 95 7.184 -9.442 14.279 546 HD22 ASN 95 HD22 ASN 95 8.829 -8.909 14.179 547 H GLN 96 H GLN 96 5.643 -8.169 10.075 548 HA GLN 96 HA GLN 96 7.396 -6.462 8.436 549 HB2 GLN 96 HB2 GLN 96 6.911 -9.426 8.202 550 HB3 GLN 96 HB3 GLN 96 8.032 -8.455 7.218 551 HG2 GLN 96 HG2 GLN 96 8.498 -9.028 10.278 552 HG3 GLN 96 HG3 GLN 96 9.068 -9.725 8.742 553 HE21 GLN 96 HE21 GLN 96 9.644 -7.438 11.152 554 HE22 GLN 96 HE22 GLN 96 10.823 -6.474 10.326 555 H ALA 97 H ALA 97 4.359 -6.568 8.792 556 HA ALA 97 HA ALA 97 3.171 -7.577 6.464 557 HB1 ALA 97 HB1 ALA 97 1.596 -5.428 7.162 558 HB2 ALA 97 HB2 ALA 97 1.451 -7.068 7.794 559 HB3 ALA 97 HB3 ALA 97 2.385 -5.862 8.677 560 H ARG 98 H ARG 98 3.132 -6.893 4.419 561 HA ARG 98 HA ARG 98 3.724 -4.071 3.860 562 HB2 ARG 98 HB2 ARG 98 4.928 -6.352 2.379 563 HB3 ARG 98 HB3 ARG 98 5.003 -4.638 1.908 564 HG2 ARG 98 HG2 ARG 98 6.073 -5.713 4.531 565 HG3 ARG 98 HG3 ARG 98 7.062 -5.533 3.061 566 HD2 ARG 98 HD2 ARG 98 6.542 -3.136 3.068 567 HD3 ARG 98 HD3 ARG 98 5.687 -3.364 4.612 568 HE ARG 98 HE ARG 98 8.664 -3.335 4.338 569 HH11 ARG 98 HH11 ARG 98 5.916 -3.961 6.393 570 HH12 ARG 98 HH12 ARG 98 6.951 -3.893 7.806 571 HH21 ARG 98 HH21 ARG 98 9.859 -3.246 5.947 572 HH22 ARG 98 HH22 ARG 98 9.199 -3.484 7.553 573 H ALA 99 H ALA 99 1.179 -5.217 4.036 574 HA ALA 99 HA ALA 99 0.202 -4.777 1.342 575 HB1 ALA 99 HB1 ALA 99 -1.253 -6.957 1.732 576 HB2 ALA 99 HB2 ALA 99 0.328 -7.017 0.949 577 HB3 ALA 99 HB3 ALA 99 0.172 -7.438 2.656 578 H TRP 100 H TRP 100 -1.837 -3.945 1.298 579 HA TRP 100 HA TRP 100 -3.357 -3.916 3.813 580 HB2 TRP 100 HB2 TRP 100 -2.995 -1.472 2.041 581 HB3 TRP 100 HB3 TRP 100 -3.840 -1.551 3.605 582 HD1 TRP 100 HD1 TRP 100 -2.501 -1.391 5.664 583 HE1 TRP 100 HE1 TRP 100 0.072 -0.793 6.237 584 HE3 TRP 100 HE3 TRP 100 -0.578 -1.864 0.983 585 HZ2 TRP 100 HZ2 TRP 100 2.418 -0.607 4.788 586 HZ3 TRP 100 HZ3 TRP 100 1.777 -1.480 0.593 587 HH2 TRP 100 HH2 TRP 100 3.300 -0.864 2.420 588 H SER 101 H SER 101 -5.477 -4.314 3.589 589 HA SER 101 HA SER 101 -6.478 -5.240 1.116 590 HB2 SER 101 HB2 SER 101 -8.557 -5.594 2.256 591 HB3 SER 101 HB3 SER 101 -7.215 -6.060 3.326 592 HG SER 101 HG SER 101 -8.754 -4.830 4.438 593 H TRP 102 H TRP 102 -8.057 -4.386 -0.255 594 HA TRP 102 HA TRP 102 -8.149 -1.616 -0.674 595 HB2 TRP 102 HB2 TRP 102 -9.698 -3.959 -1.670 596 HB3 TRP 102 HB3 TRP 102 -10.374 -2.354 -1.936 597 HD1 TRP 102 HD1 TRP 102 -8.326 -4.766 -3.658 598 HE1 TRP 102 HE1 TRP 102 -6.867 -3.669 -5.473 599 HE3 TRP 102 HE3 TRP 102 -8.751 0.116 -2.199 600 HZ2 TRP 102 HZ2 TRP 102 -6.009 -1.078 -6.191 601 HZ3 TRP 102 HZ3 TRP 102 -7.578 1.842 -3.504 602 HH2 TRP 102 HH2 TRP 102 -6.237 1.255 -5.458 603 H GLU 103 H GLU 103 -10.131 -3.742 1.277 604 HA GLU 103 HA GLU 103 -12.208 -1.906 1.841 605 HB2 GLU 103 HB2 GLU 103 -11.148 -4.281 3.345 606 HB3 GLU 103 HB3 GLU 103 -12.555 -3.333 3.882 607 HG2 GLU 103 HG2 GLU 103 -13.765 -3.965 1.754 608 HG3 GLU 103 HG3 GLU 103 -12.253 -4.771 1.279 609 H PHE 104 H PHE 104 -9.155 -2.651 3.482 610 HA PHE 104 HA PHE 104 -9.419 -0.773 5.567 611 HB2 PHE 104 HB2 PHE 104 -7.725 -2.552 5.642 612 HB3 PHE 104 HB3 PHE 104 -6.888 -1.822 4.252 613 HD1 PHE 104 HD1 PHE 104 -7.832 -1.299 7.792 614 HD2 PHE 104 HD2 PHE 104 -5.353 -0.096 4.529 615 HE1 PHE 104 HE1 PHE 104 -6.470 0.071 9.336 616 HE2 PHE 104 HE2 PHE 104 -3.986 1.272 6.069 617 HZ PHE 104 HZ PHE 104 -4.546 1.356 8.473 618 H ILE 105 H ILE 105 -7.989 -0.526 2.333 619 HA ILE 105 HA ILE 105 -7.013 2.089 2.545 620 HB ILE 105 HB ILE 105 -7.939 0.511 0.136 621 HG12 ILE 105 HG12 ILE 105 -5.177 1.325 0.987 622 HG13 ILE 105 HG13 ILE 105 -5.950 -0.206 1.460 623 HG21 ILE 105 HG21 ILE 105 -6.828 2.241 -1.237 624 HG22 ILE 105 HG22 ILE 105 -8.195 2.926 -0.326 625 HG23 ILE 105 HG23 ILE 105 -6.528 3.208 0.226 626 HD11 ILE 105 HD11 ILE 105 -4.462 -0.524 -0.476 627 HD12 ILE 105 HD12 ILE 105 -6.158 -0.836 -0.914 628 HD13 ILE 105 HD13 ILE 105 -5.383 0.694 -1.387 629 H LYS 106 H LYS 106 -10.175 0.878 1.512 630 HA LYS 106 HA LYS 106 -11.305 3.376 0.856 631 HB2 LYS 106 HB2 LYS 106 -12.486 0.752 1.699 632 HB3 LYS 106 HB3 LYS 106 -13.496 2.176 1.353 633 HG2 LYS 106 HG2 LYS 106 -12.778 2.232 -0.933 634 HG3 LYS 106 HG3 LYS 106 -11.520 1.011 -0.628 635 HD2 LYS 106 HD2 LYS 106 -13.372 -0.061 -1.747 636 HD3 LYS 106 HD3 LYS 106 -13.317 -0.626 -0.060 637 HE2 LYS 106 HE2 LYS 106 -15.083 0.947 0.547 638 HE3 LYS 106 HE3 LYS 106 -15.116 1.577 -1.116 639 HZ1 LYS 106 HZ1 LYS 106 -16.872 -0.016 -0.733 640 HZ2 LYS 106 HZ2 LYS 106 -15.814 -0.600 -1.857 641 HZ3 LYS 106 HZ3 LYS 106 -15.783 -1.183 -0.313 642 H ASN 107 H ASN 107 -11.257 1.517 3.872 643 HA ASN 107 HA ASN 107 -12.846 3.267 5.396 644 HB2 ASN 107 HB2 ASN 107 -10.726 1.286 6.488 645 HB3 ASN 107 HB3 ASN 107 -11.806 2.497 7.221 646 HD21 ASN 107 HD21 ASN 107 -11.673 -0.463 7.412 647 HD22 ASN 107 HD22 ASN 107 -13.266 -1.015 7.013 648 H ARG 108 H ARG 108 -9.407 3.245 4.655 649 HA ARG 108 HA ARG 108 -8.629 5.301 6.423 650 HB2 ARG 108 HB2 ARG 108 -7.415 4.198 3.968 651 HB3 ARG 108 HB3 ARG 108 -6.762 5.655 4.754 652 HG2 ARG 108 HG2 ARG 108 -7.188 3.029 6.203 653 HG3 ARG 108 HG3 ARG 108 -5.662 3.459 5.391 654 HD2 ARG 108 HD2 ARG 108 -6.967 4.834 7.715 655 HD3 ARG 108 HD3 ARG 108 -5.456 3.895 7.701 656 HE ARG 108 HE ARG 108 -5.062 6.196 5.993 657 HH11 ARG 108 HH11 ARG 108 -5.632 5.539 9.371 658 HH12 ARG 108 HH12 ARG 108 -4.728 6.975 9.808 659 HH21 ARG 108 HH21 ARG 108 -4.031 7.849 6.480 660 HH22 ARG 108 HH22 ARG 108 -3.816 8.294 8.162 661 H LEU 109 H LEU 109 -9.832 5.341 3.102 662 HA LEU 109 HA LEU 109 -9.589 8.173 2.793 663 HB2 LEU 109 HB2 LEU 109 -11.083 6.063 1.420 664 HB3 LEU 109 HB3 LEU 109 -11.167 7.716 0.768 665 HG LEU 109 HG LEU 109 -8.649 6.029 1.048 666 HD11 LEU 109 HD11 LEU 109 -8.692 5.991 -1.462 667 HD12 LEU 109 HD12 LEU 109 -10.150 5.235 -0.777 668 HD13 LEU 109 HD13 LEU 109 -10.229 6.887 -1.433 669 HD21 LEU 109 HD21 LEU 109 -7.557 7.841 -0.231 670 HD22 LEU 109 HD22 LEU 109 -9.073 8.773 -0.171 671 HD23 LEU 109 HD23 LEU 109 -8.200 8.396 1.333 672 H LYS 110 H LYS 110 -12.056 5.998 3.974 673 HA LYS 110 HA LYS 110 -14.189 7.860 4.066 674 HB2 LYS 110 HB2 LYS 110 -13.589 5.329 5.558 675 HB3 LYS 110 HB3 LYS 110 -15.030 6.313 5.914 676 HG2 LYS 110 HG2 LYS 110 -15.825 6.028 3.623 677 HG3 LYS 110 HG3 LYS 110 -14.357 5.110 3.208 678 HD2 LYS 110 HD2 LYS 110 -14.970 3.374 4.830 679 HD3 LYS 110 HD3 LYS 110 -16.420 4.299 5.286 680 HE2 LYS 110 HE2 LYS 110 -17.263 4.101 2.980 681 HE3 LYS 110 HE3 LYS 110 -15.820 3.161 2.538 682 HZ1 LYS 110 HZ1 LYS 110 -17.696 1.740 3.015 683 HZ2 LYS 110 HZ2 LYS 110 -16.502 1.491 4.126 684 HZ3 LYS 110 HZ3 LYS 110 -17.839 2.364 4.535 685 H GLU 111 H GLU 111 -11.481 7.195 6.178 686 HA GLU 111 HA GLU 111 -12.351 8.815 8.350 687 HB2 GLU 111 HB2 GLU 111 -9.643 7.863 7.464 688 HB3 GLU 111 HB3 GLU 111 -9.889 8.875 8.908 689 HG2 GLU 111 HG2 GLU 111 -11.315 7.051 9.920 690 HG3 GLU 111 HG3 GLU 111 -11.110 6.199 8.373 691 H LEU 112 H LEU 112 -11.291 9.546 5.224 692 HA LEU 112 HA LEU 112 -10.417 12.241 5.985 693 HB2 LEU 112 HB2 LEU 112 -10.343 10.779 3.442 694 HB3 LEU 112 HB3 LEU 112 -9.611 12.394 3.581 695 HG LEU 112 HG LEU 112 -8.712 9.842 4.974 696 HD11 LEU 112 HD11 LEU 112 -6.614 10.195 3.644 697 HD12 LEU 112 HD12 LEU 112 -8.031 10.019 2.582 698 HD13 LEU 112 HD13 LEU 112 -7.348 11.632 2.896 699 HD21 LEU 112 HD21 LEU 112 -6.876 11.205 5.911 700 HD22 LEU 112 HD22 LEU 112 -7.622 12.661 5.208 701 HD23 LEU 112 HD23 LEU 112 -8.480 11.740 6.465 702 H ASN 113 H ASN 113 -13.224 11.291 5.997 703 HA ASN 113 HA ASN 113 -14.643 12.319 3.801 704 HB2 ASN 113 HB2 ASN 113 -15.712 10.794 5.736 705 HB3 ASN 113 HB3 ASN 113 -15.449 12.368 6.523 706 HD21 ASN 113 HD21 ASN 113 -17.393 10.520 4.350 707 HD22 ASN 113 HD22 ASN 113 -18.655 11.688 4.134 708 H LEU 114 H LEU 114 -15.335 14.317 3.269 709 HA LEU 114 HA LEU 114 -14.363 16.523 4.947 710 HB2 LEU 114 HB2 LEU 114 -15.127 16.378 2.117 711 HB3 LEU 114 HB3 LEU 114 -14.507 17.896 2.809 712 HG LEU 114 HG LEU 114 -12.989 15.282 2.453 713 HD11 LEU 114 HD11 LEU 114 -11.551 16.660 0.925 714 HD12 LEU 114 HD12 LEU 114 -13.242 16.633 0.373 715 HD13 LEU 114 HD13 LEU 114 -12.605 18.061 1.221 716 HD21 LEU 114 HD21 LEU 114 -11.036 16.494 3.360 717 HD22 LEU 114 HD22 LEU 114 -12.085 17.890 3.707 718 HD23 LEU 114 HD23 LEU 114 -12.360 16.342 4.542 Start of MODEL 7 1 H1 GLY 29 H1 GLY 29 0.164 -16.363 -11.143 2 H2 GLY 29 H2 GLY 29 0.262 -17.806 -10.742 3 H3 GLY 29 H3 GLY 29 -0.917 -17.326 -11.535 4 HA2 GLY 29 HA2 GLY 29 -0.775 -17.447 -8.714 5 HA3 GLY 29 HA3 GLY 29 -0.890 -15.757 -9.185 6 H SER 30 H SER 30 -2.450 -17.881 -11.371 7 HA SER 30 HA SER 30 -4.953 -17.789 -9.834 8 HB2 SER 30 HB2 SER 30 -6.075 -18.480 -11.863 9 HB3 SER 30 HB3 SER 30 -5.084 -17.031 -12.154 10 HG SER 30 HG SER 30 -4.853 -18.613 -13.795 11 H GLU 31 H GLU 31 -5.883 -19.659 -9.032 12 HA GLU 31 HA GLU 31 -4.759 -22.220 -9.930 13 HB2 GLU 31 HB2 GLU 31 -6.710 -21.598 -7.722 14 HB3 GLU 31 HB3 GLU 31 -6.168 -23.231 -8.180 15 HG2 GLU 31 HG2 GLU 31 -3.791 -22.564 -7.537 16 HG3 GLU 31 HG3 GLU 31 -4.495 -20.976 -7.157 17 H GLU 32 H GLU 32 -5.695 -21.859 -12.071 18 HA GLU 32 HA GLU 32 -8.168 -23.093 -12.508 19 HB2 GLU 32 HB2 GLU 32 -9.467 -21.145 -13.311 20 HB3 GLU 32 HB3 GLU 32 -9.233 -21.226 -11.548 21 HG2 GLU 32 HG2 GLU 32 -7.331 -19.493 -11.840 22 HG3 GLU 32 HG3 GLU 32 -7.844 -19.491 -13.542 23 H LYS 33 H LYS 33 -9.020 -22.216 -14.882 24 HA LYS 33 HA LYS 33 -6.673 -21.344 -16.438 25 HB2 LYS 33 HB2 LYS 33 -9.030 -22.995 -17.316 26 HB3 LYS 33 HB3 LYS 33 -7.861 -22.254 -18.435 27 HG2 LYS 33 HG2 LYS 33 -6.045 -23.562 -17.367 28 HG3 LYS 33 HG3 LYS 33 -7.251 -24.340 -16.314 29 HD2 LYS 33 HD2 LYS 33 -8.421 -25.171 -18.363 30 HD3 LYS 33 HD3 LYS 33 -7.092 -24.506 -19.341 31 HE2 LYS 33 HE2 LYS 33 -5.492 -25.945 -18.176 32 HE3 LYS 33 HE3 LYS 33 -6.797 -26.591 -17.157 33 HZ1 LYS 33 HZ1 LYS 33 -6.285 -28.062 -18.984 34 HZ2 LYS 33 HZ2 LYS 33 -7.819 -27.479 -19.142 35 HZ3 LYS 33 HZ3 LYS 33 -6.608 -26.880 -20.087 36 H GLU 34 H GLU 34 -8.757 -19.776 -14.908 37 HA GLU 34 HA GLU 34 -9.315 -17.962 -17.147 38 HB2 GLU 34 HB2 GLU 34 -9.949 -17.701 -14.215 39 HB3 GLU 34 HB3 GLU 34 -10.373 -16.517 -15.475 40 HG2 GLU 34 HG2 GLU 34 -11.480 -19.384 -15.287 41 HG3 GLU 34 HG3 GLU 34 -12.246 -17.838 -14.857 42 H GLU 35 H GLU 35 -8.649 -15.637 -16.795 43 HA GLU 35 HA GLU 35 -6.213 -15.415 -15.150 44 HB2 GLU 35 HB2 GLU 35 -6.946 -13.919 -17.657 45 HB3 GLU 35 HB3 GLU 35 -5.547 -13.545 -16.624 46 HG2 GLU 35 HG2 GLU 35 -4.629 -15.878 -17.139 47 HG3 GLU 35 HG3 GLU 35 -6.089 -16.065 -18.136 48 H LYS 36 H LYS 36 -6.486 -14.229 -13.391 49 HA LYS 36 HA LYS 36 -8.446 -12.029 -13.460 50 HB2 LYS 36 HB2 LYS 36 -7.493 -13.688 -11.138 51 HB3 LYS 36 HB3 LYS 36 -8.517 -12.241 -10.992 52 HG2 LYS 36 HG2 LYS 36 -10.269 -13.350 -12.328 53 HG3 LYS 36 HG3 LYS 36 -9.246 -14.801 -12.456 54 HD2 LYS 36 HD2 LYS 36 -9.261 -14.982 -9.972 55 HD3 LYS 36 HD3 LYS 36 -10.379 -13.598 -9.908 56 HE2 LYS 36 HE2 LYS 36 -12.012 -14.859 -11.251 57 HE3 LYS 36 HE3 LYS 36 -10.896 -16.243 -11.302 58 HZ1 LYS 36 HZ1 LYS 36 -12.565 -16.510 -9.597 59 HZ2 LYS 36 HZ2 LYS 36 -11.070 -16.390 -8.911 60 HZ3 LYS 36 HZ3 LYS 36 -12.103 -15.106 -8.864 61 H LYS 37 H LYS 37 -5.799 -11.670 -14.437 62 HA LYS 37 HA LYS 37 -3.804 -11.523 -12.529 63 HB2 LYS 37 HB2 LYS 37 -3.401 -11.651 -14.924 64 HB3 LYS 37 HB3 LYS 37 -4.001 -9.987 -15.112 65 HG2 LYS 37 HG2 LYS 37 -2.138 -9.134 -13.787 66 HG3 LYS 37 HG3 LYS 37 -1.559 -10.791 -13.497 67 HD2 LYS 37 HD2 LYS 37 -1.181 -11.090 -15.906 68 HD3 LYS 37 HD3 LYS 37 -1.780 -9.441 -16.209 69 HE2 LYS 37 HE2 LYS 37 0.046 -8.535 -14.822 70 HE3 LYS 37 HE3 LYS 37 0.654 -10.186 -14.555 71 HZ1 LYS 37 HZ1 LYS 37 1.848 -9.070 -16.315 72 HZ2 LYS 37 HZ2 LYS 37 1.022 -10.362 -16.923 73 HZ3 LYS 37 HZ3 LYS 37 0.459 -8.831 -17.170 74 H VAL 38 H VAL 38 -2.544 -9.560 -11.885 75 HA VAL 38 HA VAL 38 -4.330 -7.849 -10.441 76 HB VAL 38 HB VAL 38 -2.292 -6.844 -9.495 77 HG11 VAL 38 HG11 VAL 38 -1.960 -9.831 -9.545 78 HG12 VAL 38 HG12 VAL 38 -1.625 -8.711 -8.225 79 HG13 VAL 38 HG13 VAL 38 -3.291 -9.043 -8.699 80 HG21 VAL 38 HG21 VAL 38 -0.766 -6.814 -11.283 81 HG22 VAL 38 HG22 VAL 38 -0.098 -7.972 -10.135 82 HG23 VAL 38 HG23 VAL 38 -0.942 -8.543 -11.574 83 H ARG 39 H ARG 39 -3.823 -5.435 -10.327 84 HA ARG 39 HA ARG 39 -3.969 -4.373 -13.028 85 HB2 ARG 39 HB2 ARG 39 -4.341 -2.944 -10.447 86 HB3 ARG 39 HB3 ARG 39 -4.610 -2.296 -12.082 87 HG2 ARG 39 HG2 ARG 39 -6.119 -4.625 -10.856 88 HG3 ARG 39 HG3 ARG 39 -6.712 -2.948 -10.932 89 HD2 ARG 39 HD2 ARG 39 -6.061 -4.701 -13.280 90 HD3 ARG 39 HD3 ARG 39 -7.684 -4.359 -12.638 91 HE ARG 39 HE ARG 39 -6.132 -2.467 -14.337 92 HH11 ARG 39 HH11 ARG 39 -8.852 -2.884 -12.196 93 HH12 ARG 39 HH12 ARG 39 -9.574 -1.412 -12.817 94 HH21 ARG 39 HH21 ARG 39 -6.949 -0.784 -15.064 95 HH22 ARG 39 HH22 ARG 39 -8.490 -0.215 -14.453 96 H GLU 40 H GLU 40 -2.819 -2.235 -13.431 97 HA GLU 40 HA GLU 40 -0.000 -2.803 -12.988 98 HB2 GLU 40 HB2 GLU 40 0.450 -1.293 -14.779 99 HB3 GLU 40 HB3 GLU 40 -0.830 -2.434 -15.255 100 HG2 GLU 40 HG2 GLU 40 -2.541 -0.570 -14.765 101 HG3 GLU 40 HG3 GLU 40 -1.105 0.420 -14.415 102 H LEU 41 H LEU 41 1.341 -0.572 -13.059 103 HA LEU 41 HA LEU 41 0.422 0.956 -10.731 104 HB2 LEU 41 HB2 LEU 41 2.944 0.298 -11.972 105 HB3 LEU 41 HB3 LEU 41 2.986 1.816 -11.045 106 HG LEU 41 HG LEU 41 3.791 0.092 -9.587 107 HD11 LEU 41 HD11 LEU 41 2.026 0.031 -7.805 108 HD12 LEU 41 HD12 LEU 41 2.145 1.646 -8.541 109 HD13 LEU 41 HD13 LEU 41 0.820 0.551 -9.002 110 HD21 LEU 41 HD21 LEU 41 2.543 -1.997 -9.163 111 HD22 LEU 41 HD22 LEU 41 1.350 -1.513 -10.394 112 HD23 LEU 41 HD23 LEU 41 3.038 -1.826 -10.864 113 H THR 42 H THR 42 -1.051 2.324 -11.790 114 HA THR 42 HA THR 42 0.093 4.292 -13.627 115 HB THR 42 HB THR 42 -2.174 5.193 -13.846 116 HG1 THR 42 HG1 THR 42 -3.879 4.073 -12.724 117 HG21 THR 42 HG21 THR 42 -3.250 3.220 -14.873 118 HG22 THR 42 HG22 THR 42 -1.518 3.288 -15.278 119 HG23 THR 42 HG23 THR 42 -2.097 2.155 -14.035 120 HA PRO 43 HA PRO 43 0.618 7.498 -10.605 121 HB2 PRO 43 HB2 PRO 43 -0.316 9.659 -11.994 122 HB3 PRO 43 HB3 PRO 43 1.267 8.925 -12.271 123 HG2 PRO 43 HG2 PRO 43 -1.292 8.530 -13.776 124 HG3 PRO 43 HG3 PRO 43 0.350 8.757 -14.405 125 HD2 PRO 43 HD2 PRO 43 -0.780 6.326 -14.279 126 HD3 PRO 43 HD3 PRO 43 0.954 6.560 -13.975 127 H GLN 44 H GLN 44 -2.507 7.238 -12.222 128 HA GLN 44 HA GLN 44 -3.934 8.833 -10.345 129 HB2 GLN 44 HB2 GLN 44 -4.694 8.413 -12.643 130 HB3 GLN 44 HB3 GLN 44 -4.954 6.705 -12.218 131 HG2 GLN 44 HG2 GLN 44 -7.280 7.813 -11.950 132 HG3 GLN 44 HG3 GLN 44 -6.339 7.410 -10.496 133 HE21 GLN 44 HE21 GLN 44 -7.546 8.901 -9.258 134 HE22 GLN 44 HE22 GLN 44 -7.287 10.609 -9.395 135 H GLU 45 H GLU 45 -3.345 5.368 -10.690 136 HA GLU 45 HA GLU 45 -5.116 4.592 -8.599 137 HB2 GLU 45 HB2 GLU 45 -2.855 3.185 -9.989 138 HB3 GLU 45 HB3 GLU 45 -3.830 2.426 -8.706 139 HG2 GLU 45 HG2 GLU 45 -4.883 3.378 -11.438 140 HG3 GLU 45 HG3 GLU 45 -4.577 1.734 -10.834 141 H LEU 46 H LEU 46 -1.690 5.360 -8.769 142 HA LEU 46 HA LEU 46 -1.070 4.389 -6.156 143 HB2 LEU 46 HB2 LEU 46 0.342 4.699 -8.143 144 HB3 LEU 46 HB3 LEU 46 0.607 6.402 -7.706 145 HG LEU 46 HG LEU 46 1.318 3.948 -6.054 146 HD11 LEU 46 HD11 LEU 46 3.663 4.790 -6.340 147 HD12 LEU 46 HD12 LEU 46 2.903 4.450 -7.912 148 HD13 LEU 46 HD13 LEU 46 3.046 6.128 -7.335 149 HD21 LEU 46 HD21 LEU 46 2.263 5.536 -4.415 150 HD22 LEU 46 HD22 LEU 46 1.611 6.887 -5.375 151 HD23 LEU 46 HD23 LEU 46 0.504 5.720 -4.613 152 H GLU 47 H GLU 47 -2.013 7.487 -7.506 153 HA GLU 47 HA GLU 47 -1.373 9.141 -5.344 154 HB2 GLU 47 HB2 GLU 47 -2.008 9.971 -7.540 155 HB3 GLU 47 HB3 GLU 47 -3.664 9.370 -7.287 156 HG2 GLU 47 HG2 GLU 47 -3.927 11.024 -5.374 157 HG3 GLU 47 HG3 GLU 47 -2.237 11.468 -5.706 158 H LEU 48 H LEU 48 -4.325 7.298 -6.029 159 HA LEU 48 HA LEU 48 -5.792 8.289 -3.820 160 HB2 LEU 48 HB2 LEU 48 -7.452 6.797 -4.420 161 HB3 LEU 48 HB3 LEU 48 -6.614 7.087 -5.944 162 HG LEU 48 HG LEU 48 -5.300 4.903 -5.211 163 HD11 LEU 48 HD11 LEU 48 -6.165 3.754 -3.528 164 HD12 LEU 48 HD12 LEU 48 -7.751 3.752 -4.299 165 HD13 LEU 48 HD13 LEU 48 -7.292 5.078 -3.231 166 HD21 LEU 48 HD21 LEU 48 -7.008 5.489 -7.159 167 HD22 LEU 48 HD22 LEU 48 -8.029 4.372 -6.250 168 HD23 LEU 48 HD23 LEU 48 -6.459 3.840 -6.855 169 H PHE 49 H PHE 49 -3.469 5.732 -4.189 170 HA PHE 49 HA PHE 49 -4.110 4.309 -1.813 171 HB2 PHE 49 HB2 PHE 49 -2.841 3.221 -3.564 172 HB3 PHE 49 HB3 PHE 49 -1.563 4.427 -3.439 173 HD1 PHE 49 HD1 PHE 49 -3.117 1.513 -1.848 174 HD2 PHE 49 HD2 PHE 49 0.067 4.334 -1.683 175 HE1 PHE 49 HE1 PHE 49 -1.962 0.107 -0.193 176 HE2 PHE 49 HE2 PHE 49 1.225 2.932 -0.027 177 HZ PHE 49 HZ PHE 49 0.212 0.815 0.719 178 H LYS 50 H LYS 50 -1.493 6.606 -2.573 179 HA LYS 50 HA LYS 50 -0.588 6.823 0.109 180 HB2 LYS 50 HB2 LYS 50 0.794 8.594 -0.626 181 HB3 LYS 50 HB3 LYS 50 0.779 7.328 -1.876 182 HG2 LYS 50 HG2 LYS 50 -0.797 8.647 -3.214 183 HG3 LYS 50 HG3 LYS 50 -0.827 9.905 -1.955 184 HD2 LYS 50 HD2 LYS 50 1.590 10.280 -2.280 185 HD3 LYS 50 HD3 LYS 50 1.607 9.036 -3.552 186 HE2 LYS 50 HE2 LYS 50 -0.024 10.366 -4.850 187 HE3 LYS 50 HE3 LYS 50 0.024 11.624 -3.592 188 HZ1 LYS 50 HZ1 LYS 50 1.471 12.152 -5.436 189 HZ2 LYS 50 HZ2 LYS 50 2.361 11.916 -4.066 190 HZ3 LYS 50 HZ3 LYS 50 2.315 10.750 -5.232 191 H ARG 51 H ARG 51 -3.025 8.472 -1.770 192 HA ARG 51 HA ARG 51 -3.342 10.717 -0.064 193 HB2 ARG 51 HB2 ARG 51 -4.046 10.739 -2.351 194 HB3 ARG 51 HB3 ARG 51 -5.323 9.562 -1.960 195 HG2 ARG 51 HG2 ARG 51 -6.372 11.179 -0.451 196 HG3 ARG 51 HG3 ARG 51 -5.081 12.354 -0.797 197 HD2 ARG 51 HD2 ARG 51 -7.002 11.253 -2.821 198 HD3 ARG 51 HD3 ARG 51 -7.186 12.800 -1.962 199 HE ARG 51 HE ARG 51 -5.355 12.384 -4.261 200 HH11 ARG 51 HH11 ARG 51 -6.082 14.390 -1.504 201 HH12 ARG 51 HH12 ARG 51 -5.168 15.707 -2.213 202 HH21 ARG 51 HH21 ARG 51 -4.312 13.885 -5.090 203 HH22 ARG 51 HH22 ARG 51 -4.158 15.421 -4.258 204 H ALA 52 H ALA 52 -4.988 7.585 -0.279 205 HA ALA 52 HA ALA 52 -6.798 8.143 1.864 206 HB1 ALA 52 HB1 ALA 52 -7.332 6.537 0.088 207 HB2 ALA 52 HB2 ALA 52 -6.031 5.488 0.654 208 HB3 ALA 52 HB3 ALA 52 -7.424 5.801 1.689 209 H MET 53 H MET 53 -3.690 6.504 1.570 210 HA MET 53 HA MET 53 -3.667 5.409 4.187 211 HB2 MET 53 HB2 MET 53 -2.293 4.623 2.290 212 HB3 MET 53 HB3 MET 53 -1.326 6.110 2.429 213 HG2 MET 53 HG2 MET 53 -0.154 4.276 3.499 214 HG3 MET 53 HG3 MET 53 -0.683 5.455 4.722 215 HE1 MET 53 HE1 MET 53 -2.501 1.252 4.043 216 HE2 MET 53 HE2 MET 53 -2.567 2.525 2.798 217 HE3 MET 53 HE3 MET 53 -0.997 1.851 3.302 218 H GLY 54 H GLY 54 -3.219 8.573 3.004 219 HA2 GLY 54 HA2 GLY 54 -2.822 10.539 4.148 220 HA3 GLY 54 HA3 GLY 54 -2.705 9.603 5.630 221 H ILE 55 H ILE 55 -0.776 9.187 2.702 222 HA ILE 55 HA ILE 55 1.620 8.973 4.201 223 HB ILE 55 HB ILE 55 1.218 9.308 1.214 224 HG12 ILE 55 HG12 ILE 55 0.171 7.344 2.082 225 HG13 ILE 55 HG13 ILE 55 1.600 6.936 1.104 226 HG21 ILE 55 HG21 ILE 55 3.531 8.453 1.025 227 HG22 ILE 55 HG22 ILE 55 3.488 9.993 1.914 228 HG23 ILE 55 HG23 ILE 55 3.680 8.462 2.798 229 HD11 ILE 55 HD11 ILE 55 1.462 5.515 3.112 230 HD12 ILE 55 HD12 ILE 55 2.902 6.560 3.162 231 HD13 ILE 55 HD13 ILE 55 1.472 6.966 4.140 232 H THR 56 H THR 56 2.828 10.542 5.014 233 HA THR 56 HA THR 56 2.602 13.246 3.890 234 HB THR 56 HB THR 56 3.571 14.067 5.983 235 HG1 THR 56 HG1 THR 56 3.607 11.303 6.723 236 HG21 THR 56 HG21 THR 56 1.734 13.432 7.508 237 HG22 THR 56 HG22 THR 56 1.124 13.741 5.863 238 HG23 THR 56 HG23 THR 56 1.319 12.069 6.440 239 HA PRO 57 HA PRO 57 6.737 13.309 2.354 240 HB2 PRO 57 HB2 PRO 57 7.546 15.850 2.936 241 HB3 PRO 57 HB3 PRO 57 6.394 15.473 1.648 242 HG2 PRO 57 HG2 PRO 57 5.842 16.397 4.488 243 HG3 PRO 57 HG3 PRO 57 5.127 16.972 2.976 244 HD2 PRO 57 HD2 PRO 57 3.792 15.193 4.545 245 HD3 PRO 57 HD3 PRO 57 3.686 15.083 2.783 246 H HIS 58 H HIS 58 6.075 13.681 5.685 247 HA HIS 58 HA HIS 58 8.796 13.921 6.570 248 HB2 HIS 58 HB2 HIS 58 6.227 13.296 8.063 249 HB3 HIS 58 HB3 HIS 58 7.815 13.452 8.852 250 HD1 HIS 58 HD1 HIS 58 9.032 15.896 8.179 251 HD2 HIS 58 HD2 HIS 58 4.822 15.721 8.058 252 HE1 HIS 58 HE1 HIS 58 8.254 18.200 8.414 253 H ASN 59 H ASN 59 6.510 11.307 6.059 254 HA ASN 59 HA ASN 59 8.666 9.395 6.678 255 HB2 ASN 59 HB2 ASN 59 5.670 8.718 7.100 256 HB3 ASN 59 HB3 ASN 59 7.219 7.841 7.107 257 HD21 ASN 59 HD21 ASN 59 5.124 10.002 8.791 258 HD22 ASN 59 HD22 ASN 59 6.020 10.072 10.271 259 H TYR 60 H TYR 60 7.959 10.767 4.142 260 HA TYR 60 HA TYR 60 6.725 8.874 2.412 261 HB2 TYR 60 HB2 TYR 60 6.780 11.262 1.929 262 HB3 TYR 60 HB3 TYR 60 8.551 11.184 1.773 263 HD1 TYR 60 HD1 TYR 60 5.391 9.848 0.291 264 HD2 TYR 60 HD2 TYR 60 9.531 10.677 -0.306 265 HE1 TYR 60 HE1 TYR 60 5.149 9.287 -2.109 266 HE2 TYR 60 HE2 TYR 60 9.308 10.120 -2.703 267 HH TYR 60 HH TYR 60 7.907 9.449 -4.367 268 H TRP 61 H TRP 61 10.022 9.507 3.410 269 HA TRP 61 HA TRP 61 11.242 7.798 1.471 270 HB2 TRP 61 HB2 TRP 61 12.248 9.026 4.056 271 HB3 TRP 61 HB3 TRP 61 13.257 7.974 3.035 272 HD1 TRP 61 HD1 TRP 61 12.200 11.370 3.506 273 HE1 TRP 61 HE1 TRP 61 13.124 12.960 1.524 274 HE3 TRP 61 HE3 TRP 61 13.692 7.733 0.285 275 HZ2 TRP 61 HZ2 TRP 61 14.279 12.546 -0.952 276 HZ3 TRP 61 HZ3 TRP 61 14.682 8.324 -1.840 277 HH2 TRP 61 HH2 TRP 61 14.999 10.668 -2.504 278 H GLN 62 H GLN 62 10.378 7.431 4.898 279 HA GLN 62 HA GLN 62 11.245 4.792 5.227 280 HB2 GLN 62 HB2 GLN 62 10.578 6.280 7.058 281 HB3 GLN 62 HB3 GLN 62 8.888 6.163 6.511 282 HG2 GLN 62 HG2 GLN 62 9.077 4.400 8.393 283 HG3 GLN 62 HG3 GLN 62 9.075 3.846 6.702 284 HE21 GLN 62 HE21 GLN 62 10.061 1.879 7.278 285 HE22 GLN 62 HE22 GLN 62 11.739 1.790 7.700 286 H TRP 63 H TRP 63 8.118 6.071 4.155 287 HA TRP 63 HA TRP 63 6.903 3.514 3.852 288 HB2 TRP 63 HB2 TRP 63 6.196 6.319 3.209 289 HB3 TRP 63 HB3 TRP 63 5.405 5.078 2.240 290 HD1 TRP 63 HD1 TRP 63 5.533 6.489 5.779 291 HE1 TRP 63 HE1 TRP 63 3.565 5.523 7.129 292 HE3 TRP 63 HE3 TRP 63 3.870 3.012 2.419 293 HZ2 TRP 63 HZ2 TRP 63 1.573 3.550 6.812 294 HZ3 TRP 63 HZ3 TRP 63 1.927 1.625 3.020 295 HH2 TRP 63 HH2 TRP 63 0.805 1.890 5.171 296 H ALA 64 H ALA 64 8.790 5.598 1.775 297 HA ALA 64 HA ALA 64 8.272 4.358 -0.692 298 HB1 ALA 64 HB1 ALA 64 10.626 5.236 -1.248 299 HB2 ALA 64 HB2 ALA 64 9.372 6.405 -0.829 300 HB3 ALA 64 HB3 ALA 64 10.583 5.944 0.367 301 H SER 65 H SER 65 10.814 3.746 1.720 302 HA SER 65 HA SER 65 11.933 1.539 0.304 303 HB2 SER 65 HB2 SER 65 13.252 1.152 2.279 304 HB3 SER 65 HB3 SER 65 13.196 2.894 1.924 305 HG SER 65 HG SER 65 12.865 2.428 4.140 306 H ARG 66 H ARG 66 9.266 1.927 2.454 307 HA ARG 66 HA ARG 66 9.120 -0.819 3.277 308 HB2 ARG 66 HB2 ARG 66 8.312 0.937 4.686 309 HB3 ARG 66 HB3 ARG 66 7.038 1.293 3.495 310 HG2 ARG 66 HG2 ARG 66 6.169 -1.020 3.805 311 HG3 ARG 66 HG3 ARG 66 7.379 -1.268 5.086 312 HD2 ARG 66 HD2 ARG 66 5.184 0.779 5.103 313 HD3 ARG 66 HD3 ARG 66 5.176 -0.780 5.959 314 HE ARG 66 HE ARG 66 7.386 0.551 7.081 315 HH11 ARG 66 HH11 ARG 66 4.078 1.531 6.569 316 HH12 ARG 66 HH12 ARG 66 4.153 2.548 7.995 317 HH21 ARG 66 HH21 ARG 66 7.489 1.718 8.711 318 HH22 ARG 66 HH22 ARG 66 6.097 2.656 9.216 319 H THR 67 H THR 67 7.677 1.162 0.758 320 HA THR 67 HA THR 67 5.910 -1.036 -0.026 321 HB THR 67 HB THR 67 4.837 0.626 -1.538 322 HG1 THR 67 HG1 THR 67 6.676 2.428 -0.289 323 HG21 THR 67 HG21 THR 67 3.817 1.992 0.249 324 HG22 THR 67 HG22 THR 67 3.991 0.296 0.760 325 HG23 THR 67 HG23 THR 67 5.131 1.526 1.355 326 H ASN 68 H ASN 68 8.940 -0.618 -0.562 327 HA ASN 68 HA ASN 68 10.441 -0.899 -2.257 328 HB2 ASN 68 HB2 ASN 68 8.991 -3.221 -2.362 329 HB3 ASN 68 HB3 ASN 68 8.350 -2.180 -3.656 330 HD21 ASN 68 HD21 ASN 68 9.535 -4.745 -3.962 331 HD22 ASN 68 HD22 ASN 68 10.954 -4.549 -4.937 332 H ASN 69 H ASN 69 9.864 1.498 -2.628 333 HA ASN 69 HA ASN 69 9.586 3.233 -4.073 334 HB2 ASN 69 HB2 ASN 69 10.956 1.490 -5.738 335 HB3 ASN 69 HB3 ASN 69 9.236 1.421 -6.190 336 HD21 ASN 69 HD21 ASN 69 10.139 2.123 -8.260 337 HD22 ASN 69 HD22 ASN 69 10.336 3.822 -8.538 338 H PHE 70 H PHE 70 7.292 2.075 -2.875 339 HA PHE 70 HA PHE 70 5.014 2.059 -3.001 340 HB2 PHE 70 HB2 PHE 70 5.726 4.282 -4.913 341 HB3 PHE 70 HB3 PHE 70 4.064 3.921 -4.456 342 HD1 PHE 70 HD1 PHE 70 3.261 4.376 -2.219 343 HD2 PHE 70 HD2 PHE 70 7.269 5.263 -3.341 344 HE1 PHE 70 HE1 PHE 70 3.509 5.776 -0.213 345 HE2 PHE 70 HE2 PHE 70 7.524 6.665 -1.335 346 HZ PHE 70 HZ PHE 70 5.641 6.924 0.233 347 H LYS 71 H LYS 71 6.334 0.143 -4.670 348 HA LYS 71 HA LYS 71 4.565 -0.047 -6.989 349 HB2 LYS 71 HB2 LYS 71 6.881 -1.730 -6.073 350 HB3 LYS 71 HB3 LYS 71 5.872 -2.109 -7.489 351 HG2 LYS 71 HG2 LYS 71 7.420 0.480 -7.167 352 HG3 LYS 71 HG3 LYS 71 8.064 -0.954 -8.002 353 HD2 LYS 71 HD2 LYS 71 5.480 0.458 -8.742 354 HD3 LYS 71 HD3 LYS 71 7.045 0.748 -9.536 355 HE2 LYS 71 HE2 LYS 71 5.665 -1.947 -9.365 356 HE3 LYS 71 HE3 LYS 71 5.570 -0.851 -10.763 357 HZ1 LYS 71 HZ1 LYS 71 7.261 -2.530 -11.062 358 HZ2 LYS 71 HZ2 LYS 71 7.955 -1.036 -10.988 359 HZ3 LYS 71 HZ3 LYS 71 8.042 -2.052 -9.690 360 H LEU 72 H LEU 72 2.565 -0.545 -6.182 361 HA LEU 72 HA LEU 72 2.345 -3.135 -4.802 362 HB2 LEU 72 HB2 LEU 72 0.410 -0.904 -4.305 363 HB3 LEU 72 HB3 LEU 72 0.713 -2.345 -3.338 364 HG LEU 72 HG LEU 72 3.099 -1.145 -3.091 365 HD11 LEU 72 HD11 LEU 72 3.110 1.098 -3.305 366 HD12 LEU 72 HD12 LEU 72 1.421 1.264 -2.826 367 HD13 LEU 72 HD13 LEU 72 1.827 0.780 -4.474 368 HD21 LEU 72 HD21 LEU 72 0.738 -1.473 -1.517 369 HD22 LEU 72 HD22 LEU 72 1.463 0.092 -1.153 370 HD23 LEU 72 HD23 LEU 72 2.419 -1.380 -0.992 371 H LEU 73 H LEU 73 0.831 -4.519 -5.585 372 HA LEU 73 HA LEU 73 -0.757 -3.574 -7.875 373 HB2 LEU 73 HB2 LEU 73 0.502 -6.263 -7.988 374 HB3 LEU 73 HB3 LEU 73 0.062 -5.167 -9.297 375 HG LEU 73 HG LEU 73 2.051 -3.740 -8.313 376 HD11 LEU 73 HD11 LEU 73 2.227 -6.185 -6.832 377 HD12 LEU 73 HD12 LEU 73 3.214 -4.729 -6.707 378 HD13 LEU 73 HD13 LEU 73 3.654 -5.997 -7.851 379 HD21 LEU 73 HD21 LEU 73 2.421 -6.205 -10.013 380 HD22 LEU 73 HD22 LEU 73 3.547 -4.851 -9.909 381 HD23 LEU 73 HD23 LEU 73 1.933 -4.607 -10.581 382 H THR 74 H THR 74 -2.723 -4.545 -8.182 383 HA THR 74 HA THR 74 -3.486 -7.014 -7.034 384 HB THR 74 HB THR 74 -3.457 -5.704 -4.931 385 HG1 THR 74 HG1 THR 74 -5.001 -7.404 -5.240 386 HG21 THR 74 HG21 THR 74 -5.149 -3.937 -4.603 387 HG22 THR 74 HG22 THR 74 -4.006 -3.496 -5.894 388 HG23 THR 74 HG23 THR 74 -5.633 -4.082 -6.309 389 H ASP 75 H ASP 75 -5.632 -7.632 -7.605 390 HA ASP 75 HA ASP 75 -7.249 -5.610 -8.990 391 HB2 ASP 75 HB2 ASP 75 -6.122 -7.124 -10.733 392 HB3 ASP 75 HB3 ASP 75 -6.925 -8.417 -9.809 393 H GLY 76 H GLY 76 -9.064 -5.379 -7.872 394 HA2 GLY 76 HA2 GLY 76 -10.860 -5.842 -6.516 395 HA3 GLY 76 HA3 GLY 76 -10.946 -7.352 -7.411 396 H GLU 77 H GLU 77 -8.094 -6.635 -5.582 397 HA GLU 77 HA GLU 77 -8.962 -8.427 -3.429 398 HB2 GLU 77 HB2 GLU 77 -6.523 -8.794 -5.150 399 HB3 GLU 77 HB3 GLU 77 -6.771 -9.615 -3.589 400 HG2 GLU 77 HG2 GLU 77 -8.843 -10.732 -4.564 401 HG3 GLU 77 HG3 GLU 77 -8.477 -9.806 -6.037 402 H TRP 78 H TRP 78 -6.883 -8.653 -1.876 403 HA TRP 78 HA TRP 78 -6.494 -6.060 -0.791 404 HB2 TRP 78 HB2 TRP 78 -5.199 -7.141 0.916 405 HB3 TRP 78 HB3 TRP 78 -6.554 -8.198 0.526 406 HD1 TRP 78 HD1 TRP 78 -5.009 -9.321 -2.205 407 HE1 TRP 78 HE1 TRP 78 -3.211 -11.128 -1.847 408 HE3 TRP 78 HE3 TRP 78 -4.040 -8.533 2.753 409 HZ2 TRP 78 HZ2 TRP 78 -1.597 -12.092 0.258 410 HZ3 TRP 78 HZ3 TRP 78 -2.355 -9.941 3.864 411 HH2 TRP 78 HH2 TRP 78 -1.161 -11.684 2.640 412 H VAL 79 H VAL 79 -4.531 -4.901 -0.517 413 HA VAL 79 HA VAL 79 -2.810 -5.103 -2.860 414 HB VAL 79 HB VAL 79 -3.003 -2.948 -0.735 415 HG11 VAL 79 HG11 VAL 79 -1.577 -1.622 -2.260 416 HG12 VAL 79 HG12 VAL 79 -0.732 -3.085 -1.702 417 HG13 VAL 79 HG13 VAL 79 -1.425 -3.028 -3.340 418 HG21 VAL 79 HG21 VAL 79 -4.031 -1.619 -2.508 419 HG22 VAL 79 HG22 VAL 79 -3.966 -3.024 -3.598 420 HG23 VAL 79 HG23 VAL 79 -4.977 -3.077 -2.133 421 H TRP 80 H TRP 80 -0.750 -5.773 -2.822 422 HA TRP 80 HA TRP 80 0.639 -5.869 -0.229 423 HB2 TRP 80 HB2 TRP 80 1.752 -7.963 -0.893 424 HB3 TRP 80 HB3 TRP 80 -0.015 -8.171 -0.921 425 HD1 TRP 80 HD1 TRP 80 2.976 -7.987 -3.087 426 HE1 TRP 80 HE1 TRP 80 2.374 -8.937 -5.545 427 HE3 TRP 80 HE3 TRP 80 -2.052 -8.429 -2.491 428 HZ2 TRP 80 HZ2 TRP 80 0.059 -9.703 -6.843 429 HZ3 TRP 80 HZ3 TRP 80 -3.424 -9.250 -4.304 430 HH2 TRP 80 HH2 TRP 80 -2.447 -9.895 -6.466 431 H VAL 81 H VAL 81 3.066 -6.026 -0.535 432 HA VAL 81 HA VAL 81 3.823 -3.975 -2.469 433 HB VAL 81 HB VAL 81 5.346 -5.124 -0.112 434 HG11 VAL 81 HG11 VAL 81 6.946 -3.285 -0.524 435 HG12 VAL 81 HG12 VAL 81 6.871 -4.392 -1.915 436 HG13 VAL 81 HG13 VAL 81 6.038 -2.821 -1.982 437 HG21 VAL 81 HG21 VAL 81 4.963 -2.932 0.899 438 HG22 VAL 81 HG22 VAL 81 3.984 -2.455 -0.507 439 HG23 VAL 81 HG23 VAL 81 3.440 -3.781 0.548 440 H GLU 82 H GLU 82 4.909 -4.408 -4.271 441 HA GLU 82 HA GLU 82 5.441 -6.943 -5.227 442 HB2 GLU 82 HB2 GLU 82 5.323 -4.963 -6.624 443 HB3 GLU 82 HB3 GLU 82 6.852 -4.379 -5.927 444 HG2 GLU 82 HG2 GLU 82 8.035 -6.384 -6.957 445 HG3 GLU 82 HG3 GLU 82 6.422 -6.860 -7.538 446 H GLY 83 H GLY 83 7.083 -8.378 -5.071 447 HA2 GLY 83 HA2 GLY 83 9.384 -8.941 -4.938 448 HA3 GLY 83 HA3 GLY 83 9.671 -7.446 -4.059 449 H TYR 84 H TYR 84 7.224 -8.124 -2.376 450 HA TYR 84 HA TYR 84 8.660 -9.899 -0.527 451 HB2 TYR 84 HB2 TYR 84 6.479 -7.882 -0.027 452 HB3 TYR 84 HB3 TYR 84 7.177 -8.952 1.212 453 HD1 TYR 84 HD1 TYR 84 9.652 -8.722 1.740 454 HD2 TYR 84 HD2 TYR 84 7.541 -5.841 -0.590 455 HE1 TYR 84 HE1 TYR 84 11.452 -7.080 2.160 456 HE2 TYR 84 HE2 TYR 84 9.335 -4.183 -0.179 457 HH TYR 84 HH TYR 84 11.331 -3.769 0.825 458 H GLU 85 H GLU 85 7.061 -10.847 -2.778 459 HA GLU 85 HA GLU 85 4.558 -11.814 -1.957 460 HB2 GLU 85 HB2 GLU 85 6.555 -12.856 -3.946 461 HB3 GLU 85 HB3 GLU 85 4.955 -13.596 -3.693 462 HG2 GLU 85 HG2 GLU 85 3.867 -11.425 -4.408 463 HG3 GLU 85 HG3 GLU 85 5.519 -10.776 -4.510 464 H GLU 86 H GLU 86 7.790 -12.885 -1.267 465 HA GLU 86 HA GLU 86 7.230 -15.456 -0.281 466 HB2 GLU 86 HB2 GLU 86 9.478 -14.689 -0.707 467 HB3 GLU 86 HB3 GLU 86 9.321 -13.468 0.579 468 HG2 GLU 86 HG2 GLU 86 10.620 -15.348 1.524 469 HG3 GLU 86 HG3 GLU 86 8.965 -15.281 2.174 470 H HIS 87 H HIS 87 6.989 -12.268 1.192 471 HA HIS 87 HA HIS 87 6.564 -13.163 3.845 472 HB2 HIS 87 HB2 HIS 87 5.873 -10.564 2.469 473 HB3 HIS 87 HB3 HIS 87 5.651 -10.839 4.194 474 HD1 HIS 87 HD1 HIS 87 7.370 -8.973 4.740 475 HD2 HIS 87 HD2 HIS 87 8.927 -12.160 2.577 476 HE1 HIS 87 HE1 HIS 87 9.868 -8.715 4.866 477 H ILE 88 H ILE 88 4.541 -12.989 1.076 478 HA ILE 88 HA ILE 88 2.022 -12.741 2.314 479 HB ILE 88 HB ILE 88 2.815 -14.021 -0.314 480 HG12 ILE 88 HG12 ILE 88 1.458 -11.408 0.293 481 HG13 ILE 88 HG13 ILE 88 3.196 -11.610 -0.024 482 HG21 ILE 88 HG21 ILE 88 0.411 -13.942 -0.882 483 HG22 ILE 88 HG22 ILE 88 0.706 -15.013 0.508 484 HG23 ILE 88 HG23 ILE 88 0.040 -13.384 0.767 485 HD11 ILE 88 HD11 ILE 88 2.006 -10.844 -2.041 486 HD12 ILE 88 HD12 ILE 88 2.684 -12.473 -2.275 487 HD13 ILE 88 HD13 ILE 88 0.947 -12.269 -1.956 488 H GLY 89 H GLY 89 0.641 -14.195 3.205 489 HA2 GLY 89 HA2 GLY 89 -0.156 -16.255 3.930 490 HA3 GLY 89 HA3 GLY 89 1.157 -17.039 3.064 491 H LYS 90 H LYS 90 2.006 -14.456 5.164 492 HA LYS 90 HA LYS 90 2.815 -16.375 7.244 493 HB2 LYS 90 HB2 LYS 90 4.428 -14.161 6.011 494 HB3 LYS 90 HB3 LYS 90 4.844 -14.914 7.569 495 HG2 LYS 90 HG2 LYS 90 5.069 -17.098 6.460 496 HG3 LYS 90 HG3 LYS 90 4.644 -16.352 4.901 497 HD2 LYS 90 HD2 LYS 90 6.628 -14.856 5.129 498 HD3 LYS 90 HD3 LYS 90 7.074 -15.731 6.613 499 HE2 LYS 90 HE2 LYS 90 6.785 -16.962 3.856 500 HE3 LYS 90 HE3 LYS 90 8.325 -16.527 4.633 501 HZ1 LYS 90 HZ1 LYS 90 7.818 -18.859 4.904 502 HZ2 LYS 90 HZ2 LYS 90 7.817 -18.106 6.372 503 HZ3 LYS 90 HZ3 LYS 90 6.390 -18.509 5.650 504 H GLN 91 H GLN 91 2.013 -15.875 9.167 505 HA GLN 91 HA GLN 91 0.497 -13.552 9.635 506 HB2 GLN 91 HB2 GLN 91 0.212 -15.729 10.783 507 HB3 GLN 91 HB3 GLN 91 1.713 -15.400 11.681 508 HG2 GLN 91 HG2 GLN 91 -0.158 -14.587 13.264 509 HG3 GLN 91 HG3 GLN 91 0.759 -13.370 12.346 510 HE21 GLN 91 HE21 GLN 91 -1.045 -11.943 12.813 511 HE22 GLN 91 HE22 GLN 91 -2.470 -12.014 11.832 512 H LEU 92 H LEU 92 1.557 -11.641 9.419 513 HA LEU 92 HA LEU 92 3.842 -11.176 11.219 514 HB2 LEU 92 HB2 LEU 92 2.945 -9.784 8.796 515 HB3 LEU 92 HB3 LEU 92 4.376 -9.210 9.683 516 HG LEU 92 HG LEU 92 4.073 -11.869 8.234 517 HD11 LEU 92 HD11 LEU 92 5.892 -10.962 6.764 518 HD12 LEU 92 HD12 LEU 92 4.451 -9.920 6.726 519 HD13 LEU 92 HD13 LEU 92 5.866 -9.446 7.695 520 HD21 LEU 92 HD21 LEU 92 6.438 -12.253 8.830 521 HD22 LEU 92 HD22 LEU 92 6.417 -10.762 9.803 522 HD23 LEU 92 HD23 LEU 92 5.381 -12.137 10.257 523 HA PRO 93 HA PRO 93 1.577 -8.197 13.565 524 HB2 PRO 93 HB2 PRO 93 3.944 -6.413 13.516 525 HB3 PRO 93 HB3 PRO 93 3.140 -7.181 14.890 526 HG2 PRO 93 HG2 PRO 93 5.521 -8.085 14.046 527 HG3 PRO 93 HG3 PRO 93 4.284 -9.223 14.598 528 HD2 PRO 93 HD2 PRO 93 5.049 -8.491 11.731 529 HD3 PRO 93 HD3 PRO 93 4.743 -10.091 12.417 530 H LEU 94 H LEU 94 1.189 -5.715 13.642 531 HA LEU 94 HA LEU 94 0.401 -4.884 10.987 532 HB2 LEU 94 HB2 LEU 94 0.149 -3.714 13.663 533 HB3 LEU 94 HB3 LEU 94 -0.609 -2.891 12.280 534 HG LEU 94 HG LEU 94 -1.296 -5.651 13.360 535 HD11 LEU 94 HD11 LEU 94 -3.509 -4.593 13.884 536 HD12 LEU 94 HD12 LEU 94 -2.181 -3.767 14.732 537 HD13 LEU 94 HD13 LEU 94 -2.894 -3.039 13.272 538 HD21 LEU 94 HD21 LEU 94 -3.094 -5.662 11.667 539 HD22 LEU 94 HD22 LEU 94 -2.465 -4.131 11.013 540 HD23 LEU 94 HD23 LEU 94 -1.471 -5.606 10.942 541 H ASN 95 H ASN 95 2.860 -4.099 13.330 542 HA ASN 95 HA ASN 95 3.794 -1.727 12.064 543 HB2 ASN 95 HB2 ASN 95 5.378 -3.525 14.034 544 HB3 ASN 95 HB3 ASN 95 5.744 -2.066 13.081 545 HD21 ASN 95 HD21 ASN 95 5.564 -2.593 16.005 546 HD22 ASN 95 HD22 ASN 95 4.471 -1.394 16.611 547 H GLN 96 H GLN 96 4.155 -5.095 11.416 548 HA GLN 96 HA GLN 96 6.156 -4.473 9.346 549 HB2 GLN 96 HB2 GLN 96 5.742 -7.035 10.876 550 HB3 GLN 96 HB3 GLN 96 6.856 -6.838 9.502 551 HG2 GLN 96 HG2 GLN 96 7.279 -5.436 12.285 552 HG3 GLN 96 HG3 GLN 96 7.930 -6.860 11.441 553 HE21 GLN 96 HE21 GLN 96 8.476 -3.673 12.163 554 HE22 GLN 96 HE22 GLN 96 9.549 -3.259 10.867 555 H ALA 97 H ALA 97 3.266 -4.307 9.113 556 HA ALA 97 HA ALA 97 2.518 -6.597 7.485 557 HB1 ALA 97 HB1 ALA 97 1.112 -4.421 8.829 558 HB2 ALA 97 HB2 ALA 97 0.482 -4.783 7.221 559 HB3 ALA 97 HB3 ALA 97 0.572 -6.054 8.440 560 H ARG 98 H ARG 98 2.917 -6.692 5.382 561 HA ARG 98 HA ARG 98 3.584 -4.203 3.969 562 HB2 ARG 98 HB2 ARG 98 4.388 -7.003 3.402 563 HB3 ARG 98 HB3 ARG 98 4.635 -5.642 2.284 564 HG2 ARG 98 HG2 ARG 98 6.013 -4.504 3.967 565 HG3 ARG 98 HG3 ARG 98 5.758 -5.859 5.095 566 HD2 ARG 98 HD2 ARG 98 6.848 -7.327 3.410 567 HD3 ARG 98 HD3 ARG 98 7.278 -5.850 2.514 568 HE ARG 98 HE ARG 98 8.651 -6.750 4.990 569 HH11 ARG 98 HH11 ARG 98 8.052 -4.070 2.842 570 HH12 ARG 98 HH12 ARG 98 9.472 -3.250 3.460 571 HH21 ARG 98 HH21 ARG 98 10.284 -5.828 5.703 572 HH22 ARG 98 HH22 ARG 98 10.747 -4.251 5.090 573 H ALA 99 H ALA 99 0.912 -5.790 4.471 574 HA ALA 99 HA ALA 99 -0.060 -5.332 1.732 575 HB1 ALA 99 HB1 ALA 99 -0.564 -7.694 3.501 576 HB2 ALA 99 HB2 ALA 99 -1.745 -7.211 2.283 577 HB3 ALA 99 HB3 ALA 99 -0.108 -7.650 1.798 578 H TRP 100 H TRP 100 -2.169 -4.520 1.554 579 HA TRP 100 HA TRP 100 -3.656 -3.988 4.007 580 HB2 TRP 100 HB2 TRP 100 -3.044 -1.779 2.036 581 HB3 TRP 100 HB3 TRP 100 -3.934 -1.636 3.550 582 HD1 TRP 100 HD1 TRP 100 -2.538 -1.402 5.774 583 HE1 TRP 100 HE1 TRP 100 -0.041 -1.005 6.250 584 HE3 TRP 100 HE3 TRP 100 -0.662 -2.359 1.115 585 HZ2 TRP 100 HZ2 TRP 100 2.402 -1.086 4.837 586 HZ3 TRP 100 HZ3 TRP 100 1.767 -2.177 0.762 587 HH2 TRP 100 HH2 TRP 100 3.266 -1.552 2.584 588 H SER 101 H SER 101 -5.757 -4.372 3.731 589 HA SER 101 HA SER 101 -6.746 -5.216 1.196 590 HB2 SER 101 HB2 SER 101 -8.814 -5.650 2.319 591 HB3 SER 101 HB3 SER 101 -7.469 -6.170 3.361 592 HG SER 101 HG SER 101 -9.070 -4.996 4.500 593 H TRP 102 H TRP 102 -8.535 -4.316 0.031 594 HA TRP 102 HA TRP 102 -8.502 -1.522 -0.324 595 HB2 TRP 102 HB2 TRP 102 -10.197 -3.772 -1.293 596 HB3 TRP 102 HB3 TRP 102 -10.846 -2.142 -1.444 597 HD1 TRP 102 HD1 TRP 102 -9.114 -4.502 -3.479 598 HE1 TRP 102 HE1 TRP 102 -7.712 -3.376 -5.323 599 HE3 TRP 102 HE3 TRP 102 -9.013 0.262 -1.627 600 HZ2 TRP 102 HZ2 TRP 102 -6.699 -0.809 -5.913 601 HZ3 TRP 102 HZ3 TRP 102 -7.805 1.994 -2.891 602 HH2 TRP 102 HH2 TRP 102 -6.672 1.467 -4.988 603 H GLU 103 H GLU 103 -10.506 -3.637 1.637 604 HA GLU 103 HA GLU 103 -12.415 -1.706 2.421 605 HB2 GLU 103 HB2 GLU 103 -11.435 -4.226 3.732 606 HB3 GLU 103 HB3 GLU 103 -12.741 -3.220 4.404 607 HG2 GLU 103 HG2 GLU 103 -14.108 -3.647 2.316 608 HG3 GLU 103 HG3 GLU 103 -12.687 -4.533 1.720 609 H PHE 104 H PHE 104 -9.184 -2.448 3.507 610 HA PHE 104 HA PHE 104 -9.335 -0.814 5.868 611 HB2 PHE 104 HB2 PHE 104 -7.761 -2.629 5.875 612 HB3 PHE 104 HB3 PHE 104 -7.010 -2.055 4.391 613 HD1 PHE 104 HD1 PHE 104 -7.527 -1.261 7.965 614 HD2 PHE 104 HD2 PHE 104 -5.263 -0.491 4.445 615 HE1 PHE 104 HE1 PHE 104 -5.908 0.029 9.293 616 HE2 PHE 104 HE2 PHE 104 -3.639 0.801 5.767 617 HZ PHE 104 HZ PHE 104 -3.962 1.063 8.195 618 H ILE 105 H ILE 105 -7.984 -0.459 2.610 619 HA ILE 105 HA ILE 105 -6.932 2.117 2.882 620 HB ILE 105 HB ILE 105 -8.084 0.707 0.462 621 HG12 ILE 105 HG12 ILE 105 -5.237 1.353 1.165 622 HG13 ILE 105 HG13 ILE 105 -6.046 -0.171 1.596 623 HG21 ILE 105 HG21 ILE 105 -6.994 2.468 -0.887 624 HG22 ILE 105 HG22 ILE 105 -8.262 3.153 0.154 625 HG23 ILE 105 HG23 ILE 105 -6.549 3.334 0.602 626 HD11 ILE 105 HD11 ILE 105 -4.703 -0.426 -0.452 627 HD12 ILE 105 HD12 ILE 105 -6.437 -0.640 -0.791 628 HD13 ILE 105 HD13 ILE 105 -5.626 0.883 -1.223 629 H LYS 106 H LYS 106 -10.207 1.024 2.163 630 HA LYS 106 HA LYS 106 -11.251 3.592 1.543 631 HB2 LYS 106 HB2 LYS 106 -12.533 1.002 2.353 632 HB3 LYS 106 HB3 LYS 106 -13.471 2.476 2.013 633 HG2 LYS 106 HG2 LYS 106 -12.662 2.521 -0.274 634 HG3 LYS 106 HG3 LYS 106 -11.583 1.142 0.044 635 HD2 LYS 106 HD2 LYS 106 -13.508 0.290 -1.101 636 HD3 LYS 106 HD3 LYS 106 -13.622 -0.223 0.600 637 HE2 LYS 106 HE2 LYS 106 -15.172 1.606 1.071 638 HE3 LYS 106 HE3 LYS 106 -15.030 2.179 -0.606 639 HZ1 LYS 106 HZ1 LYS 106 -17.013 0.865 -0.282 640 HZ2 LYS 106 HZ2 LYS 106 -15.995 0.101 -1.330 641 HZ3 LYS 106 HZ3 LYS 106 -16.127 -0.430 0.226 642 H ASN 107 H ASN 107 -10.977 1.713 4.506 643 HA ASN 107 HA ASN 107 -12.550 3.442 6.121 644 HB2 ASN 107 HB2 ASN 107 -10.470 1.357 7.097 645 HB3 ASN 107 HB3 ASN 107 -11.491 2.580 7.892 646 HD21 ASN 107 HD21 ASN 107 -11.447 -0.391 7.985 647 HD22 ASN 107 HD22 ASN 107 -13.069 -0.877 7.618 648 H ARG 108 H ARG 108 -9.074 3.217 5.457 649 HA ARG 108 HA ARG 108 -8.291 5.425 7.032 650 HB2 ARG 108 HB2 ARG 108 -7.035 4.128 4.685 651 HB3 ARG 108 HB3 ARG 108 -6.356 5.573 5.469 652 HG2 ARG 108 HG2 ARG 108 -6.977 3.026 6.979 653 HG3 ARG 108 HG3 ARG 108 -5.406 3.321 6.196 654 HD2 ARG 108 HD2 ARG 108 -6.652 5.050 8.310 655 HD3 ARG 108 HD3 ARG 108 -5.417 3.798 8.586 656 HE ARG 108 HE ARG 108 -4.249 5.692 6.770 657 HH11 ARG 108 HH11 ARG 108 -5.519 5.756 10.017 658 HH12 ARG 108 HH12 ARG 108 -4.394 7.032 10.438 659 HH21 ARG 108 HH21 ARG 108 -2.961 7.159 7.234 660 HH22 ARG 108 HH22 ARG 108 -2.935 7.835 8.852 661 H LEU 109 H LEU 109 -9.254 5.162 3.625 662 HA LEU 109 HA LEU 109 -9.032 7.851 2.920 663 HB2 LEU 109 HB2 LEU 109 -9.330 6.171 1.405 664 HB3 LEU 109 HB3 LEU 109 -10.976 5.724 1.910 665 HG LEU 109 HG LEU 109 -11.713 8.044 1.257 666 HD11 LEU 109 HD11 LEU 109 -10.207 9.318 -0.294 667 HD12 LEU 109 HD12 LEU 109 -9.465 9.121 1.311 668 HD13 LEU 109 HD13 LEU 109 -8.940 8.094 -0.045 669 HD21 LEU 109 HD21 LEU 109 -11.763 7.574 -1.168 670 HD22 LEU 109 HD22 LEU 109 -10.529 6.313 -0.930 671 HD23 LEU 109 HD23 LEU 109 -12.133 6.139 -0.182 672 H LYS 110 H LYS 110 -11.781 6.096 4.327 673 HA LYS 110 HA LYS 110 -13.574 8.250 4.410 674 HB2 LYS 110 HB2 LYS 110 -13.331 5.773 6.087 675 HB3 LYS 110 HB3 LYS 110 -14.649 6.954 6.290 676 HG2 LYS 110 HG2 LYS 110 -15.428 6.548 4.030 677 HG3 LYS 110 HG3 LYS 110 -14.037 5.485 3.703 678 HD2 LYS 110 HD2 LYS 110 -15.918 4.071 4.148 679 HD3 LYS 110 HD3 LYS 110 -14.847 3.998 5.568 680 HE2 LYS 110 HE2 LYS 110 -16.256 5.609 6.744 681 HE3 LYS 110 HE3 LYS 110 -17.306 5.758 5.315 682 HZ1 LYS 110 HZ1 LYS 110 -18.237 4.267 6.951 683 HZ2 LYS 110 HZ2 LYS 110 -17.875 3.437 5.572 684 HZ3 LYS 110 HZ3 LYS 110 -16.902 3.300 6.896 685 H GLU 111 H GLU 111 -11.083 7.195 6.669 686 HA GLU 111 HA GLU 111 -11.688 9.026 8.735 687 HB2 GLU 111 HB2 GLU 111 -9.172 7.593 7.946 688 HB3 GLU 111 HB3 GLU 111 -9.246 8.697 9.340 689 HG2 GLU 111 HG2 GLU 111 -11.032 7.198 10.368 690 HG3 GLU 111 HG3 GLU 111 -10.866 6.226 8.888 691 H LEU 112 H LEU 112 -10.243 9.414 5.651 692 HA LEU 112 HA LEU 112 -8.606 11.668 6.240 693 HB2 LEU 112 HB2 LEU 112 -8.278 10.180 4.466 694 HB3 LEU 112 HB3 LEU 112 -9.695 10.729 3.543 695 HG LEU 112 HG LEU 112 -8.672 13.023 3.477 696 HD11 LEU 112 HD11 LEU 112 -6.217 13.198 3.962 697 HD12 LEU 112 HD12 LEU 112 -7.133 12.747 5.419 698 HD13 LEU 112 HD13 LEU 112 -6.223 11.509 4.523 699 HD21 LEU 112 HD21 LEU 112 -7.028 12.485 1.713 700 HD22 LEU 112 HD22 LEU 112 -7.057 10.781 2.229 701 HD23 LEU 112 HD23 LEU 112 -8.527 11.536 1.567 702 H ASN 113 H ASN 113 -11.964 11.228 5.512 703 HA ASN 113 HA ASN 113 -12.372 14.054 4.942 704 HB2 ASN 113 HB2 ASN 113 -13.783 12.155 3.662 705 HB3 ASN 113 HB3 ASN 113 -14.293 12.006 5.362 706 HD21 ASN 113 HD21 ASN 113 -15.783 12.645 2.887 707 HD22 ASN 113 HD22 ASN 113 -16.591 14.143 3.213 708 H LEU 114 H LEU 114 -12.028 15.156 6.829 709 HA LEU 114 HA LEU 114 -12.746 14.389 9.395 710 HB2 LEU 114 HB2 LEU 114 -11.286 16.096 8.886 711 HB3 LEU 114 HB3 LEU 114 -12.515 17.212 8.246 712 HG LEU 114 HG LEU 114 -13.610 17.126 10.538 713 HD11 LEU 114 HD11 LEU 114 -12.121 16.445 12.439 714 HD12 LEU 114 HD12 LEU 114 -12.451 15.075 11.354 715 HD13 LEU 114 HD13 LEU 114 -10.888 15.923 11.267 716 HD21 LEU 114 HD21 LEU 114 -12.049 18.765 11.525 717 HD22 LEU 114 HD22 LEU 114 -10.819 18.289 10.329 718 HD23 LEU 114 HD23 LEU 114 -12.335 19.048 9.791 Start of MODEL 8 1 H1 GLY 29 H1 GLY 29 -6.531 -21.423 -3.866 2 H2 GLY 29 H2 GLY 29 -5.642 -22.179 -2.926 3 H3 GLY 29 H3 GLY 29 -5.874 -20.711 -2.722 4 HA2 GLY 29 HA2 GLY 29 -3.767 -21.846 -4.226 5 HA3 GLY 29 HA3 GLY 29 -4.809 -20.958 -5.327 6 H SER 30 H SER 30 -2.746 -20.626 -2.455 7 HA SER 30 HA SER 30 -2.127 -18.813 -1.227 8 HB2 SER 30 HB2 SER 30 -2.721 -17.282 -3.758 9 HB3 SER 30 HB3 SER 30 -1.826 -16.668 -2.349 10 HG SER 30 HG SER 30 -0.284 -18.321 -2.740 11 H GLU 31 H GLU 31 -4.987 -19.702 -1.566 12 HA GLU 31 HA GLU 31 -7.148 -18.695 -1.627 13 HB2 GLU 31 HB2 GLU 31 -6.642 -19.771 0.500 14 HB3 GLU 31 HB3 GLU 31 -5.977 -18.236 1.108 15 HG2 GLU 31 HG2 GLU 31 -8.291 -17.203 0.911 16 HG3 GLU 31 HG3 GLU 31 -8.790 -18.779 0.255 17 H GLU 32 H GLU 32 -6.088 -16.824 -3.052 18 HA GLU 32 HA GLU 32 -7.700 -14.653 -2.106 19 HB2 GLU 32 HB2 GLU 32 -6.103 -12.894 -2.231 20 HB3 GLU 32 HB3 GLU 32 -5.547 -14.119 -1.065 21 HG2 GLU 32 HG2 GLU 32 -4.076 -15.024 -3.081 22 HG3 GLU 32 HG3 GLU 32 -4.559 -13.467 -3.792 23 H LYS 33 H LYS 33 -5.993 -16.359 -4.517 24 HA LYS 33 HA LYS 33 -7.533 -15.190 -6.630 25 HB2 LYS 33 HB2 LYS 33 -5.748 -14.303 -7.949 26 HB3 LYS 33 HB3 LYS 33 -5.814 -13.487 -6.368 27 HG2 LYS 33 HG2 LYS 33 -3.920 -14.833 -5.580 28 HG3 LYS 33 HG3 LYS 33 -3.862 -15.683 -7.142 29 HD2 LYS 33 HD2 LYS 33 -3.358 -13.578 -8.290 30 HD3 LYS 33 HD3 LYS 33 -3.465 -12.697 -6.748 31 HE2 LYS 33 HE2 LYS 33 -1.584 -14.001 -5.862 32 HE3 LYS 33 HE3 LYS 33 -1.480 -14.898 -7.395 33 HZ1 LYS 33 HZ1 LYS 33 0.128 -13.117 -7.295 34 HZ2 LYS 33 HZ2 LYS 33 -0.964 -12.825 -8.498 35 HZ3 LYS 33 HZ3 LYS 33 -1.060 -11.995 -7.075 36 H GLU 34 H GLU 34 -7.023 -16.207 -8.754 37 HA GLU 34 HA GLU 34 -5.394 -18.646 -8.527 38 HB2 GLU 34 HB2 GLU 34 -8.035 -18.355 -9.940 39 HB3 GLU 34 HB3 GLU 34 -6.946 -19.754 -10.103 40 HG2 GLU 34 HG2 GLU 34 -7.245 -20.202 -7.607 41 HG3 GLU 34 HG3 GLU 34 -8.293 -18.765 -7.624 42 H GLU 35 H GLU 35 -4.636 -16.044 -9.485 43 HA GLU 35 HA GLU 35 -3.975 -16.724 -12.254 44 HB2 GLU 35 HB2 GLU 35 -5.154 -14.111 -11.343 45 HB3 GLU 35 HB3 GLU 35 -4.381 -14.367 -12.925 46 HG2 GLU 35 HG2 GLU 35 -6.178 -16.152 -13.406 47 HG3 GLU 35 HG3 GLU 35 -6.828 -15.678 -11.819 48 H LYS 36 H LYS 36 -1.986 -15.971 -12.954 49 HA LYS 36 HA LYS 36 -0.215 -14.765 -11.010 50 HB2 LYS 36 HB2 LYS 36 0.167 -15.547 -13.888 51 HB3 LYS 36 HB3 LYS 36 1.436 -14.822 -12.873 52 HG2 LYS 36 HG2 LYS 36 1.299 -16.742 -11.334 53 HG3 LYS 36 HG3 LYS 36 0.039 -17.470 -12.359 54 HD2 LYS 36 HD2 LYS 36 1.619 -17.580 -14.238 55 HD3 LYS 36 HD3 LYS 36 2.879 -16.835 -13.227 56 HE2 LYS 36 HE2 LYS 36 2.753 -18.741 -11.673 57 HE3 LYS 36 HE3 LYS 36 1.508 -19.490 -12.700 58 HZ1 LYS 36 HZ1 LYS 36 3.688 -20.395 -13.142 59 HZ2 LYS 36 HZ2 LYS 36 3.127 -19.597 -14.472 60 HZ3 LYS 36 HZ3 LYS 36 4.281 -18.903 -13.520 61 H LYS 37 H LYS 37 -2.351 -13.718 -13.458 62 HA LYS 37 HA LYS 37 -0.978 -11.268 -14.079 63 HB2 LYS 37 HB2 LYS 37 -2.388 -12.388 -15.716 64 HB3 LYS 37 HB3 LYS 37 -3.801 -12.137 -14.663 65 HG2 LYS 37 HG2 LYS 37 -3.964 -10.450 -16.306 66 HG3 LYS 37 HG3 LYS 37 -3.313 -9.633 -14.865 67 HD2 LYS 37 HD2 LYS 37 -1.014 -9.932 -15.804 68 HD3 LYS 37 HD3 LYS 37 -1.749 -10.594 -17.284 69 HE2 LYS 37 HE2 LYS 37 -2.995 -8.477 -17.584 70 HE3 LYS 37 HE3 LYS 37 -2.193 -7.819 -16.141 71 HZ1 LYS 37 HZ1 LYS 37 -1.101 -7.119 -18.161 72 HZ2 LYS 37 HZ2 LYS 37 -0.089 -8.072 -17.272 73 HZ3 LYS 37 HZ3 LYS 37 -0.834 -8.682 -18.612 74 H VAL 38 H VAL 38 -1.324 -9.261 -13.263 75 HA VAL 38 HA VAL 38 -3.379 -8.973 -11.174 76 HB VAL 38 HB VAL 38 -1.822 -7.593 -9.837 77 HG11 VAL 38 HG11 VAL 38 -0.399 -9.445 -9.027 78 HG12 VAL 38 HG12 VAL 38 -2.058 -10.003 -9.341 79 HG13 VAL 38 HG13 VAL 38 -0.761 -10.369 -10.504 80 HG21 VAL 38 HG21 VAL 38 0.567 -7.597 -10.346 81 HG22 VAL 38 HG22 VAL 38 0.240 -8.456 -11.870 82 HG23 VAL 38 HG23 VAL 38 -0.386 -6.808 -11.623 83 H ARG 39 H ARG 39 -3.331 -6.461 -10.512 84 HA ARG 39 HA ARG 39 -3.908 -5.046 -12.999 85 HB2 ARG 39 HB2 ARG 39 -4.540 -4.193 -10.221 86 HB3 ARG 39 HB3 ARG 39 -5.062 -3.427 -11.738 87 HG2 ARG 39 HG2 ARG 39 -5.811 -6.218 -10.812 88 HG3 ARG 39 HG3 ARG 39 -6.854 -4.778 -10.711 89 HD2 ARG 39 HD2 ARG 39 -5.814 -6.065 -13.216 90 HD3 ARG 39 HD3 ARG 39 -7.462 -6.189 -12.559 91 HE ARG 39 HE ARG 39 -6.455 -3.849 -14.092 92 HH11 ARG 39 HH11 ARG 39 -8.917 -5.035 -11.926 93 HH12 ARG 39 HH12 ARG 39 -9.974 -3.720 -12.399 94 HH21 ARG 39 HH21 ARG 39 -7.656 -2.342 -14.649 95 HH22 ARG 39 HH22 ARG 39 -9.257 -2.183 -13.952 96 H GLU 40 H GLU 40 -3.166 -2.856 -13.341 97 HA GLU 40 HA GLU 40 -0.322 -2.869 -12.911 98 HB2 GLU 40 HB2 GLU 40 -0.196 -1.142 -14.524 99 HB3 GLU 40 HB3 GLU 40 -1.354 -2.370 -15.091 100 HG2 GLU 40 HG2 GLU 40 -3.252 -0.827 -14.316 101 HG3 GLU 40 HG3 GLU 40 -1.943 0.283 -13.850 102 H LEU 41 H LEU 41 0.627 -0.465 -12.704 103 HA LEU 41 HA LEU 41 -0.362 0.484 -10.116 104 HB2 LEU 41 HB2 LEU 41 2.132 0.564 -11.593 105 HB3 LEU 41 HB3 LEU 41 1.984 1.795 -10.318 106 HG LEU 41 HG LEU 41 1.360 -0.315 -8.833 107 HD11 LEU 41 HD11 LEU 41 2.723 -2.309 -9.508 108 HD12 LEU 41 HD12 LEU 41 1.481 -1.934 -10.725 109 HD13 LEU 41 HD13 LEU 41 3.175 -1.472 -11.012 110 HD21 LEU 41 HD21 LEU 41 3.729 -0.473 -8.149 111 HD22 LEU 41 HD22 LEU 41 4.196 0.405 -9.627 112 HD23 LEU 41 HD23 LEU 41 3.196 1.207 -8.392 113 H THR 42 H THR 42 -2.175 1.541 -11.261 114 HA THR 42 HA THR 42 -1.697 3.759 -12.986 115 HB THR 42 HB THR 42 -4.056 4.301 -12.710 116 HG1 THR 42 HG1 THR 42 -5.273 2.951 -11.200 117 HG21 THR 42 HG21 THR 42 -5.041 2.144 -13.399 118 HG22 THR 42 HG22 THR 42 -3.471 2.414 -14.193 119 HG23 THR 42 HG23 THR 42 -3.591 1.295 -12.816 120 HA PRO 43 HA PRO 43 -0.785 7.079 -10.185 121 HB2 PRO 43 HB2 PRO 43 -2.190 9.109 -11.399 122 HB3 PRO 43 HB3 PRO 43 -0.609 8.535 -11.947 123 HG2 PRO 43 HG2 PRO 43 -3.369 7.783 -12.965 124 HG3 PRO 43 HG3 PRO 43 -1.914 8.181 -13.889 125 HD2 PRO 43 HD2 PRO 43 -2.628 5.590 -13.540 126 HD3 PRO 43 HD3 PRO 43 -0.919 6.042 -13.496 127 H GLN 44 H GLN 44 -4.111 6.320 -11.058 128 HA GLN 44 HA GLN 44 -5.341 7.678 -8.893 129 HB2 GLN 44 HB2 GLN 44 -6.552 6.952 -10.885 130 HB3 GLN 44 HB3 GLN 44 -6.263 5.256 -10.431 131 HG2 GLN 44 HG2 GLN 44 -8.642 5.780 -9.547 132 HG3 GLN 44 HG3 GLN 44 -7.290 5.699 -8.394 133 HE21 GLN 44 HE21 GLN 44 -8.454 6.922 -6.865 134 HE22 GLN 44 HE22 GLN 44 -8.679 8.630 -7.049 135 H GLU 45 H GLU 45 -4.310 4.307 -9.345 136 HA GLU 45 HA GLU 45 -5.251 3.418 -6.826 137 HB2 GLU 45 HB2 GLU 45 -3.335 2.310 -8.843 138 HB3 GLU 45 HB3 GLU 45 -3.594 1.507 -7.275 139 HG2 GLU 45 HG2 GLU 45 -6.053 1.254 -7.854 140 HG3 GLU 45 HG3 GLU 45 -5.657 2.141 -9.343 141 H LEU 46 H LEU 46 -2.288 4.901 -7.890 142 HA LEU 46 HA LEU 46 -0.806 4.168 -5.525 143 HB2 LEU 46 HB2 LEU 46 -0.347 5.954 -7.799 144 HB3 LEU 46 HB3 LEU 46 0.929 5.814 -6.567 145 HG LEU 46 HG LEU 46 -0.122 3.605 -8.376 146 HD11 LEU 46 HD11 LEU 46 2.221 3.609 -9.271 147 HD12 LEU 46 HD12 LEU 46 1.443 5.194 -9.489 148 HD13 LEU 46 HD13 LEU 46 2.619 4.952 -8.175 149 HD21 LEU 46 HD21 LEU 46 1.596 2.172 -7.329 150 HD22 LEU 46 HD22 LEU 46 1.977 3.490 -6.194 151 HD23 LEU 46 HD23 LEU 46 0.367 2.730 -6.169 152 H GLU 47 H GLU 47 -2.330 7.089 -6.823 153 HA GLU 47 HA GLU 47 -1.437 8.819 -4.766 154 HB2 GLU 47 HB2 GLU 47 -3.649 8.975 -6.783 155 HB3 GLU 47 HB3 GLU 47 -3.399 10.246 -5.563 156 HG2 GLU 47 HG2 GLU 47 -1.366 9.426 -7.726 157 HG3 GLU 47 HG3 GLU 47 -2.431 10.849 -7.641 158 H LEU 48 H LEU 48 -4.382 6.918 -5.217 159 HA LEU 48 HA LEU 48 -5.765 7.974 -2.980 160 HB2 LEU 48 HB2 LEU 48 -7.404 6.402 -3.418 161 HB3 LEU 48 HB3 LEU 48 -6.667 6.659 -4.998 162 HG LEU 48 HG LEU 48 -5.261 4.561 -4.410 163 HD11 LEU 48 HD11 LEU 48 -6.215 4.645 -2.014 164 HD12 LEU 48 HD12 LEU 48 -6.077 3.084 -2.822 165 HD13 LEU 48 HD13 LEU 48 -7.641 3.890 -2.725 166 HD21 LEU 48 HD21 LEU 48 -8.205 4.219 -4.953 167 HD22 LEU 48 HD22 LEU 48 -6.889 3.154 -5.451 168 HD23 LEU 48 HD23 LEU 48 -7.036 4.765 -6.155 169 H PHE 49 H PHE 49 -3.349 5.520 -3.355 170 HA PHE 49 HA PHE 49 -3.779 4.217 -0.856 171 HB2 PHE 49 HB2 PHE 49 -2.571 3.086 -2.676 172 HB3 PHE 49 HB3 PHE 49 -1.285 4.310 -2.587 173 HD1 PHE 49 HD1 PHE 49 -2.822 1.414 -0.949 174 HD2 PHE 49 HD2 PHE 49 0.345 4.281 -0.850 175 HE1 PHE 49 HE1 PHE 49 -1.624 0.031 0.715 176 HE2 PHE 49 HE2 PHE 49 1.546 2.900 0.812 177 HZ PHE 49 HZ PHE 49 0.559 0.775 1.596 178 H LYS 50 H LYS 50 -1.293 6.532 -1.942 179 HA LYS 50 HA LYS 50 -0.244 7.039 0.628 180 HB2 LYS 50 HB2 LYS 50 0.825 8.966 -0.343 181 HB3 LYS 50 HB3 LYS 50 0.981 7.539 -1.393 182 HG2 LYS 50 HG2 LYS 50 -0.784 8.393 -2.856 183 HG3 LYS 50 HG3 LYS 50 -1.012 9.797 -1.786 184 HD2 LYS 50 HD2 LYS 50 0.334 10.568 -3.584 185 HD3 LYS 50 HD3 LYS 50 1.435 10.350 -2.204 186 HE2 LYS 50 HE2 LYS 50 2.318 8.341 -3.082 187 HE3 LYS 50 HE3 LYS 50 0.997 8.186 -4.265 188 HZ1 LYS 50 HZ1 LYS 50 3.028 8.950 -5.293 189 HZ2 LYS 50 HZ2 LYS 50 1.868 10.119 -5.394 190 HZ3 LYS 50 HZ3 LYS 50 3.093 10.263 -4.297 191 H ARG 51 H ARG 51 -3.010 8.284 -1.080 192 HA ARG 51 HA ARG 51 -3.543 10.409 0.770 193 HB2 ARG 51 HB2 ARG 51 -4.348 10.469 -1.495 194 HB3 ARG 51 HB3 ARG 51 -5.429 9.105 -1.127 195 HG2 ARG 51 HG2 ARG 51 -6.669 10.435 0.455 196 HG3 ARG 51 HG3 ARG 51 -5.508 11.777 0.301 197 HD2 ARG 51 HD2 ARG 51 -6.190 12.120 -1.981 198 HD3 ARG 51 HD3 ARG 51 -7.324 10.755 -1.859 199 HE ARG 51 HE ARG 51 -8.871 12.315 -0.772 200 HH11 ARG 51 HH11 ARG 51 -5.648 13.633 -0.600 201 HH12 ARG 51 HH12 ARG 51 -6.292 15.143 0.014 202 HH21 ARG 51 HH21 ARG 51 -9.623 14.035 -0.060 203 HH22 ARG 51 HH22 ARG 51 -8.559 15.373 0.323 204 H ALA 52 H ALA 52 -4.454 7.025 0.473 205 HA ALA 52 HA ALA 52 -6.366 7.026 2.577 206 HB1 ALA 52 HB1 ALA 52 -5.908 4.516 2.544 207 HB2 ALA 52 HB2 ALA 52 -6.533 5.245 1.064 208 HB3 ALA 52 HB3 ALA 52 -4.818 4.855 1.196 209 H MET 53 H MET 53 -2.887 6.618 2.435 210 HA MET 53 HA MET 53 -2.770 5.807 5.232 211 HB2 MET 53 HB2 MET 53 -0.582 6.175 3.202 212 HB3 MET 53 HB3 MET 53 -0.377 5.531 4.849 213 HG2 MET 53 HG2 MET 53 -2.048 4.266 2.653 214 HG3 MET 53 HG3 MET 53 -0.407 3.756 3.119 215 HE1 MET 53 HE1 MET 53 -2.665 0.825 4.484 216 HE2 MET 53 HE2 MET 53 -2.915 1.762 2.990 217 HE3 MET 53 HE3 MET 53 -1.275 1.255 3.460 218 H GLY 54 H GLY 54 -2.517 8.627 3.320 219 HA2 GLY 54 HA2 GLY 54 -2.168 10.823 3.915 220 HA3 GLY 54 HA3 GLY 54 -2.162 10.300 5.593 221 H ILE 55 H ILE 55 -0.021 9.560 2.840 222 HA ILE 55 HA ILE 55 2.224 9.422 4.599 223 HB ILE 55 HB ILE 55 2.065 9.298 1.574 224 HG12 ILE 55 HG12 ILE 55 2.470 7.141 3.630 225 HG13 ILE 55 HG13 ILE 55 0.934 7.521 2.819 226 HG21 ILE 55 HG21 ILE 55 4.370 8.412 1.687 227 HG22 ILE 55 HG22 ILE 55 4.294 10.076 2.314 228 HG23 ILE 55 HG23 ILE 55 4.398 8.704 3.442 229 HD11 ILE 55 HD11 ILE 55 2.042 5.591 1.764 230 HD12 ILE 55 HD12 ILE 55 1.944 6.968 0.642 231 HD13 ILE 55 HD13 ILE 55 3.482 6.587 1.453 232 H THR 56 H THR 56 3.566 10.988 5.191 233 HA THR 56 HA THR 56 3.387 13.573 3.805 234 HB THR 56 HB THR 56 4.246 14.613 5.827 235 HG1 THR 56 HG1 THR 56 4.607 11.909 6.616 236 HG21 THR 56 HG21 THR 56 2.412 14.059 7.386 237 HG22 THR 56 HG22 THR 56 1.817 14.175 5.713 238 HG23 THR 56 HG23 THR 56 2.070 12.580 6.459 239 HA PRO 57 HA PRO 57 7.562 13.573 2.342 240 HB2 PRO 57 HB2 PRO 57 8.428 16.072 3.134 241 HB3 PRO 57 HB3 PRO 57 7.429 15.767 1.706 242 HG2 PRO 57 HG2 PRO 57 6.563 16.611 4.492 243 HG3 PRO 57 HG3 PRO 57 6.041 17.246 2.927 244 HD2 PRO 57 HD2 PRO 57 4.465 15.491 4.235 245 HD3 PRO 57 HD3 PRO 57 4.639 15.349 2.481 246 H HIS 58 H HIS 58 6.867 14.193 5.699 247 HA HIS 58 HA HIS 58 9.504 13.948 6.704 248 HB2 HIS 58 HB2 HIS 58 7.750 14.912 8.106 249 HB3 HIS 58 HB3 HIS 58 6.843 13.382 8.061 250 HD1 HIS 58 HD1 HIS 58 10.167 14.754 9.316 251 HD2 HIS 58 HD2 HIS 58 7.436 11.676 10.225 252 HE1 HIS 58 HE1 HIS 58 11.026 13.663 11.327 253 H ASN 59 H ASN 59 6.870 11.596 6.295 254 HA ASN 59 HA ASN 59 8.823 9.443 6.775 255 HB2 ASN 59 HB2 ASN 59 6.950 8.039 7.704 256 HB3 ASN 59 HB3 ASN 59 7.124 9.733 8.225 257 HD21 ASN 59 HD21 ASN 59 4.816 8.166 8.558 258 HD22 ASN 59 HD22 ASN 59 3.541 8.877 7.624 259 H TYR 60 H TYR 60 8.118 10.951 4.246 260 HA TYR 60 HA TYR 60 6.803 9.199 2.476 261 HB2 TYR 60 HB2 TYR 60 7.198 11.550 1.985 262 HB3 TYR 60 HB3 TYR 60 8.949 11.237 1.910 263 HD1 TYR 60 HD1 TYR 60 5.701 10.566 0.235 264 HD2 TYR 60 HD2 TYR 60 9.950 10.338 -0.066 265 HE1 TYR 60 HE1 TYR 60 5.495 10.020 -2.173 266 HE2 TYR 60 HE2 TYR 60 9.761 9.792 -2.469 267 HH TYR 60 HH TYR 60 8.354 9.443 -4.226 268 H TRP 61 H TRP 61 10.255 9.643 3.202 269 HA TRP 61 HA TRP 61 11.109 7.562 1.452 270 HB2 TRP 61 HB2 TRP 61 13.326 7.852 2.519 271 HB3 TRP 61 HB3 TRP 61 12.613 9.422 2.077 272 HD1 TRP 61 HD1 TRP 61 11.959 10.978 3.914 273 HE1 TRP 61 HE1 TRP 61 12.571 11.148 6.541 274 HE3 TRP 61 HE3 TRP 61 13.772 6.272 4.550 275 HZ2 TRP 61 HZ2 TRP 61 13.648 9.436 8.425 276 HZ3 TRP 61 HZ3 TRP 61 14.575 5.563 6.717 277 HH2 TRP 61 HH2 TRP 61 14.537 7.068 8.659 278 H GLN 62 H GLN 62 9.907 7.655 4.677 279 HA GLN 62 HA GLN 62 10.894 5.090 5.475 280 HB2 GLN 62 HB2 GLN 62 8.651 6.820 6.489 281 HB3 GLN 62 HB3 GLN 62 9.088 5.255 7.213 282 HG2 GLN 62 HG2 GLN 62 11.531 6.413 7.670 283 HG3 GLN 62 HG3 GLN 62 10.575 7.708 6.911 284 HE21 GLN 62 HE21 GLN 62 11.804 7.978 9.415 285 HE22 GLN 62 HE22 GLN 62 10.573 8.103 10.629 286 H TRP 63 H TRP 63 7.922 6.289 3.996 287 HA TRP 63 HA TRP 63 6.721 3.684 3.841 288 HB2 TRP 63 HB2 TRP 63 6.035 6.424 2.905 289 HB3 TRP 63 HB3 TRP 63 5.303 5.070 2.047 290 HD1 TRP 63 HD1 TRP 63 5.136 6.977 5.312 291 HE1 TRP 63 HE1 TRP 63 3.155 6.103 6.703 292 HE3 TRP 63 HE3 TRP 63 3.928 2.871 2.515 293 HZ2 TRP 63 HZ2 TRP 63 1.323 3.957 6.626 294 HZ3 TRP 63 HZ3 TRP 63 2.049 1.460 3.243 295 HH2 TRP 63 HH2 TRP 63 0.775 1.993 5.256 296 H ALA 64 H ALA 64 8.860 5.590 1.884 297 HA ALA 64 HA ALA 64 8.585 4.212 -0.558 298 HB1 ALA 64 HB1 ALA 64 9.740 6.308 -0.502 299 HB2 ALA 64 HB2 ALA 64 10.941 5.672 0.624 300 HB3 ALA 64 HB3 ALA 64 10.876 5.067 -1.031 301 H SER 65 H SER 65 10.612 3.625 2.283 302 HA SER 65 HA SER 65 11.855 1.293 1.163 303 HB2 SER 65 HB2 SER 65 12.830 0.973 3.335 304 HB3 SER 65 HB3 SER 65 12.933 2.689 2.881 305 HG SER 65 HG SER 65 12.237 2.382 5.041 306 H ARG 66 H ARG 66 8.968 1.971 2.970 307 HA ARG 66 HA ARG 66 8.424 -0.702 3.787 308 HB2 ARG 66 HB2 ARG 66 7.429 1.025 4.983 309 HB3 ARG 66 HB3 ARG 66 6.629 1.650 3.521 310 HG2 ARG 66 HG2 ARG 66 5.036 0.455 4.941 311 HG3 ARG 66 HG3 ARG 66 5.266 -0.384 3.388 312 HD2 ARG 66 HD2 ARG 66 5.143 -1.986 5.112 313 HD3 ARG 66 HD3 ARG 66 6.817 -1.921 4.515 314 HE ARG 66 HE ARG 66 6.575 -0.343 6.973 315 HH11 ARG 66 HH11 ARG 66 6.691 -3.648 5.867 316 HH12 ARG 66 HH12 ARG 66 7.390 -4.141 7.397 317 HH21 ARG 66 HH21 ARG 66 7.367 -0.893 8.734 318 HH22 ARG 66 HH22 ARG 66 7.774 -2.571 9.033 319 H THR 67 H THR 67 7.701 1.190 0.911 320 HA THR 67 HA THR 67 5.935 -0.951 -0.056 321 HB THR 67 HB THR 67 5.037 0.727 -1.650 322 HG1 THR 67 HG1 THR 67 6.697 2.544 -0.190 323 HG21 THR 67 HG21 THR 67 3.845 2.093 0.028 324 HG22 THR 67 HG22 THR 67 3.953 0.394 0.547 325 HG23 THR 67 HG23 THR 67 5.032 1.614 1.263 326 H ASN 68 H ASN 68 9.024 -0.449 -0.244 327 HA ASN 68 HA ASN 68 10.695 -0.827 -1.745 328 HB2 ASN 68 HB2 ASN 68 9.223 -3.120 -1.987 329 HB3 ASN 68 HB3 ASN 68 8.737 -2.083 -3.349 330 HD21 ASN 68 HD21 ASN 68 9.521 -4.196 -4.351 331 HD22 ASN 68 HD22 ASN 68 11.176 -4.215 -4.863 332 H ASN 69 H ASN 69 10.080 1.602 -2.175 333 HA ASN 69 HA ASN 69 10.054 3.312 -3.676 334 HB2 ASN 69 HB2 ASN 69 11.557 1.481 -5.157 335 HB3 ASN 69 HB3 ASN 69 9.909 1.531 -5.829 336 HD21 ASN 69 HD21 ASN 69 11.122 2.207 -7.746 337 HD22 ASN 69 HD22 ASN 69 11.455 3.895 -7.953 338 H PHE 70 H PHE 70 7.614 2.119 -2.764 339 HA PHE 70 HA PHE 70 5.370 2.208 -3.137 340 HB2 PHE 70 HB2 PHE 70 6.232 4.329 -5.134 341 HB3 PHE 70 HB3 PHE 70 4.568 4.083 -4.561 342 HD1 PHE 70 HD1 PHE 70 4.003 4.505 -2.199 343 HD2 PHE 70 HD2 PHE 70 7.810 5.503 -3.860 344 HE1 PHE 70 HE1 PHE 70 4.427 6.034 -0.303 345 HE2 PHE 70 HE2 PHE 70 8.239 7.032 -1.964 346 HZ PHE 70 HZ PHE 70 6.545 7.298 -0.185 347 H LYS 71 H LYS 71 6.677 0.134 -4.481 348 HA LYS 71 HA LYS 71 5.236 -0.058 -7.025 349 HB2 LYS 71 HB2 LYS 71 7.402 -1.698 -5.754 350 HB3 LYS 71 HB3 LYS 71 6.470 -2.285 -7.151 351 HG2 LYS 71 HG2 LYS 71 8.199 0.211 -7.048 352 HG3 LYS 71 HG3 LYS 71 8.593 -1.311 -7.881 353 HD2 LYS 71 HD2 LYS 71 6.329 0.606 -8.524 354 HD3 LYS 71 HD3 LYS 71 7.773 0.280 -9.511 355 HE2 LYS 71 HE2 LYS 71 5.666 -1.780 -8.790 356 HE3 LYS 71 HE3 LYS 71 5.713 -0.876 -10.321 357 HZ1 LYS 71 HZ1 LYS 71 6.738 -3.038 -10.532 358 HZ2 LYS 71 HZ2 LYS 71 7.863 -1.855 -10.758 359 HZ3 LYS 71 HZ3 LYS 71 7.820 -2.691 -9.337 360 H LEU 72 H LEU 72 3.123 -0.383 -6.405 361 HA LEU 72 HA LEU 72 2.593 -2.646 -4.599 362 HB2 LEU 72 HB2 LEU 72 1.042 -0.242 -5.243 363 HB3 LEU 72 HB3 LEU 72 0.377 -1.460 -4.130 364 HG LEU 72 HG LEU 72 2.903 0.171 -3.661 365 HD11 LEU 72 HD11 LEU 72 1.551 1.334 -1.898 366 HD12 LEU 72 HD12 LEU 72 0.840 1.563 -3.513 367 HD13 LEU 72 HD13 LEU 72 0.127 0.385 -2.386 368 HD21 LEU 72 HD21 LEU 72 2.804 -0.761 -1.376 369 HD22 LEU 72 HD22 LEU 72 1.406 -1.752 -1.861 370 HD23 LEU 72 HD23 LEU 72 2.992 -2.017 -2.622 371 H LEU 73 H LEU 73 1.477 -4.335 -5.350 372 HA LEU 73 HA LEU 73 0.029 -4.021 -7.898 373 HB2 LEU 73 HB2 LEU 73 1.306 -6.340 -6.635 374 HB3 LEU 73 HB3 LEU 73 0.386 -6.552 -8.142 375 HG LEU 73 HG LEU 73 2.875 -4.832 -7.820 376 HD11 LEU 73 HD11 LEU 73 3.998 -6.599 -9.203 377 HD12 LEU 73 HD12 LEU 73 3.390 -7.267 -7.670 378 HD13 LEU 73 HD13 LEU 73 2.495 -7.549 -9.182 379 HD21 LEU 73 HD21 LEU 73 2.810 -4.690 -10.286 380 HD22 LEU 73 HD22 LEU 73 1.280 -5.601 -10.281 381 HD23 LEU 73 HD23 LEU 73 1.363 -3.994 -9.520 382 H THR 74 H THR 74 -1.941 -5.230 -8.153 383 HA THR 74 HA THR 74 -3.237 -6.318 -5.818 384 HB THR 74 HB THR 74 -3.491 -3.876 -5.433 385 HG1 THR 74 HG1 THR 74 -5.120 -5.370 -4.744 386 HG21 THR 74 HG21 THR 74 -4.993 -2.599 -6.922 387 HG22 THR 74 HG22 THR 74 -3.547 -3.159 -7.797 388 HG23 THR 74 HG23 THR 74 -5.099 -4.001 -8.014 389 H ASP 75 H ASP 75 -5.145 -7.429 -6.304 390 HA ASP 75 HA ASP 75 -6.439 -7.089 -8.850 391 HB2 ASP 75 HB2 ASP 75 -4.487 -8.712 -9.370 392 HB3 ASP 75 HB3 ASP 75 -5.298 -9.702 -8.131 393 H GLY 76 H GLY 76 -8.166 -6.552 -7.428 394 HA2 GLY 76 HA2 GLY 76 -10.191 -7.060 -6.469 395 HA3 GLY 76 HA3 GLY 76 -9.936 -8.713 -7.009 396 H GLU 77 H GLU 77 -7.658 -7.125 -4.894 397 HA GLU 77 HA GLU 77 -8.580 -8.562 -2.561 398 HB2 GLU 77 HB2 GLU 77 -6.184 -9.426 -4.142 399 HB3 GLU 77 HB3 GLU 77 -6.338 -9.763 -2.401 400 HG2 GLU 77 HG2 GLU 77 -8.330 -10.744 -4.536 401 HG3 GLU 77 HG3 GLU 77 -6.964 -11.620 -3.807 402 H TRP 78 H TRP 78 -6.486 -8.553 -0.946 403 HA TRP 78 HA TRP 78 -5.931 -5.913 -0.261 404 HB2 TRP 78 HB2 TRP 78 -4.272 -6.796 1.256 405 HB3 TRP 78 HB3 TRP 78 -5.654 -7.887 1.239 406 HD1 TRP 78 HD1 TRP 78 -4.280 -8.935 -1.790 407 HE1 TRP 78 HE1 TRP 78 -2.551 -10.827 -1.547 408 HE3 TRP 78 HE3 TRP 78 -3.252 -8.463 3.195 409 HZ2 TRP 78 HZ2 TRP 78 -0.963 -11.969 0.488 410 HZ3 TRP 78 HZ3 TRP 78 -1.616 -9.994 4.213 411 HH2 TRP 78 HH2 TRP 78 -0.497 -11.711 2.886 412 H VAL 79 H VAL 79 -4.421 -4.454 -0.849 413 HA VAL 79 HA VAL 79 -2.714 -4.942 -3.095 414 HB VAL 79 HB VAL 79 -2.773 -2.589 -1.182 415 HG11 VAL 79 HG11 VAL 79 -1.555 -1.404 -2.977 416 HG12 VAL 79 HG12 VAL 79 -0.617 -2.790 -2.373 417 HG13 VAL 79 HG13 VAL 79 -1.485 -2.909 -3.923 418 HG21 VAL 79 HG21 VAL 79 -4.020 -1.460 -2.954 419 HG22 VAL 79 HG22 VAL 79 -4.039 -2.967 -3.899 420 HG23 VAL 79 HG23 VAL 79 -4.884 -2.887 -2.335 421 H TRP 80 H TRP 80 -0.637 -5.552 -3.140 422 HA TRP 80 HA TRP 80 0.819 -5.696 -0.583 423 HB2 TRP 80 HB2 TRP 80 1.722 -7.868 -1.169 424 HB3 TRP 80 HB3 TRP 80 -0.046 -7.949 -1.352 425 HD1 TRP 80 HD1 TRP 80 3.127 -7.974 -3.249 426 HE1 TRP 80 HE1 TRP 80 2.675 -8.870 -5.758 427 HE3 TRP 80 HE3 TRP 80 -1.952 -8.054 -3.093 428 HZ2 TRP 80 HZ2 TRP 80 0.433 -9.464 -7.260 429 HZ3 TRP 80 HZ3 TRP 80 -3.215 -8.769 -5.028 430 HH2 TRP 80 HH2 TRP 80 -2.103 -9.476 -7.101 431 H VAL 81 H VAL 81 3.117 -5.564 -0.727 432 HA VAL 81 HA VAL 81 4.031 -3.799 -2.798 433 HB VAL 81 HB VAL 81 5.547 -5.108 -0.521 434 HG11 VAL 81 HG11 VAL 81 7.287 -3.417 -0.998 435 HG12 VAL 81 HG12 VAL 81 7.043 -4.496 -2.393 436 HG13 VAL 81 HG13 VAL 81 6.355 -2.854 -2.406 437 HG21 VAL 81 HG21 VAL 81 5.415 -2.903 0.525 438 HG22 VAL 81 HG22 VAL 81 4.416 -2.322 -0.828 439 HG23 VAL 81 HG23 VAL 81 3.805 -3.607 0.243 440 H GLU 82 H GLU 82 4.908 -4.357 -4.674 441 HA GLU 82 HA GLU 82 5.371 -7.007 -5.476 442 HB2 GLU 82 HB2 GLU 82 4.911 -5.206 -7.035 443 HB3 GLU 82 HB3 GLU 82 6.467 -4.446 -6.621 444 HG2 GLU 82 HG2 GLU 82 7.673 -6.436 -7.620 445 HG3 GLU 82 HG3 GLU 82 6.055 -7.127 -7.878 446 H GLY 83 H GLY 83 7.114 -8.315 -5.403 447 HA2 GLY 83 HA2 GLY 83 9.512 -8.648 -5.329 448 HA3 GLY 83 HA3 GLY 83 9.632 -7.184 -4.363 449 H TYR 84 H TYR 84 7.005 -8.577 -3.132 450 HA TYR 84 HA TYR 84 8.503 -10.308 -1.282 451 HB2 TYR 84 HB2 TYR 84 6.391 -8.288 -0.540 452 HB3 TYR 84 HB3 TYR 84 7.166 -9.444 0.572 453 HD1 TYR 84 HD1 TYR 84 9.618 -9.213 1.061 454 HD2 TYR 84 HD2 TYR 84 7.467 -6.236 -1.107 455 HE1 TYR 84 HE1 TYR 84 11.439 -7.597 1.493 456 HE2 TYR 84 HE2 TYR 84 9.281 -4.604 -0.683 457 HH TYR 84 HH TYR 84 12.196 -5.472 1.182 458 H GLU 85 H GLU 85 7.286 -11.558 -3.270 459 HA GLU 85 HA GLU 85 4.708 -12.522 -2.688 460 HB2 GLU 85 HB2 GLU 85 7.090 -13.819 -3.976 461 HB3 GLU 85 HB3 GLU 85 5.506 -14.617 -3.827 462 HG2 GLU 85 HG2 GLU 85 4.479 -12.791 -5.243 463 HG3 GLU 85 HG3 GLU 85 6.086 -12.031 -5.209 464 H GLU 86 H GLU 86 7.772 -13.026 -1.161 465 HA GLU 86 HA GLU 86 7.079 -15.347 0.327 466 HB2 GLU 86 HB2 GLU 86 8.940 -14.682 1.811 467 HB3 GLU 86 HB3 GLU 86 9.366 -14.824 0.089 468 HG2 GLU 86 HG2 GLU 86 8.653 -12.057 1.094 469 HG3 GLU 86 HG3 GLU 86 10.145 -12.856 1.637 470 H HIS 87 H HIS 87 5.975 -12.178 0.459 471 HA HIS 87 HA HIS 87 5.171 -12.439 3.276 472 HB2 HIS 87 HB2 HIS 87 5.386 -9.990 1.497 473 HB3 HIS 87 HB3 HIS 87 4.630 -9.969 3.107 474 HD1 HIS 87 HD1 HIS 87 6.665 -8.114 3.300 475 HD2 HIS 87 HD2 HIS 87 7.751 -12.184 3.452 476 HE1 HIS 87 HE1 HIS 87 8.919 -8.176 4.241 477 H ILE 88 H ILE 88 4.020 -13.192 0.347 478 HA ILE 88 HA ILE 88 1.286 -12.296 0.757 479 HB ILE 88 HB ILE 88 2.543 -14.004 -1.408 480 HG12 ILE 88 HG12 ILE 88 1.398 -11.223 -1.441 481 HG13 ILE 88 HG13 ILE 88 3.125 -11.647 -1.413 482 HG21 ILE 88 HG21 ILE 88 0.355 -13.850 -2.548 483 HG22 ILE 88 HG22 ILE 88 0.210 -14.714 -1.000 484 HG23 ILE 88 HG23 ILE 88 -0.327 -13.023 -1.129 485 HD11 ILE 88 HD11 ILE 88 2.389 -11.060 -3.690 486 HD12 ILE 88 HD12 ILE 88 2.885 -12.768 -3.595 487 HD13 ILE 88 HD13 ILE 88 1.158 -12.342 -3.622 488 H GLY 89 H GLY 89 -0.176 -13.404 1.877 489 HA2 GLY 89 HA2 GLY 89 -1.325 -15.367 2.549 490 HA3 GLY 89 HA3 GLY 89 0.103 -16.309 2.144 491 H LYS 90 H LYS 90 1.420 -13.845 3.705 492 HA LYS 90 HA LYS 90 1.542 -15.352 6.197 493 HB2 LYS 90 HB2 LYS 90 3.194 -13.208 4.943 494 HB3 LYS 90 HB3 LYS 90 3.298 -13.498 6.696 495 HG2 LYS 90 HG2 LYS 90 5.075 -14.724 5.632 496 HG3 LYS 90 HG3 LYS 90 3.856 -15.889 6.204 497 HD2 LYS 90 HD2 LYS 90 3.360 -14.931 3.472 498 HD3 LYS 90 HD3 LYS 90 4.921 -15.769 3.648 499 HE2 LYS 90 HE2 LYS 90 3.776 -17.684 4.681 500 HE3 LYS 90 HE3 LYS 90 2.216 -16.849 4.501 501 HZ1 LYS 90 HZ1 LYS 90 2.589 -18.429 2.732 502 HZ2 LYS 90 HZ2 LYS 90 2.540 -16.899 2.120 503 HZ3 LYS 90 HZ3 LYS 90 3.986 -17.673 2.288 504 H GLN 91 H GLN 91 1.380 -14.281 8.268 505 HA GLN 91 HA GLN 91 -0.631 -12.143 8.216 506 HB2 GLN 91 HB2 GLN 91 -1.246 -14.228 9.340 507 HB3 GLN 91 HB3 GLN 91 0.142 -14.028 10.436 508 HG2 GLN 91 HG2 GLN 91 -1.886 -13.073 11.742 509 HG3 GLN 91 HG3 GLN 91 -0.702 -11.953 11.031 510 HE21 GLN 91 HE21 GLN 91 -2.162 -10.228 11.027 511 HE22 GLN 91 HE22 GLN 91 -3.493 -10.148 9.923 512 H LEU 92 H LEU 92 0.601 -10.305 8.075 513 HA LEU 92 HA LEU 92 2.467 -9.813 10.299 514 HB2 LEU 92 HB2 LEU 92 2.158 -8.573 7.657 515 HB3 LEU 92 HB3 LEU 92 3.360 -7.928 8.799 516 HG LEU 92 HG LEU 92 3.356 -10.706 7.553 517 HD11 LEU 92 HD11 LEU 92 5.441 -9.910 6.408 518 HD12 LEU 92 HD12 LEU 92 4.040 -8.903 5.972 519 HD13 LEU 92 HD13 LEU 92 5.226 -8.312 7.162 520 HD21 LEU 92 HD21 LEU 92 5.547 -10.987 8.657 521 HD22 LEU 92 HD22 LEU 92 5.328 -9.410 9.456 522 HD23 LEU 92 HD23 LEU 92 4.218 -10.754 9.818 523 HA PRO 93 HA PRO 93 -0.305 -6.759 11.931 524 HB2 PRO 93 HB2 PRO 93 1.454 -5.247 13.347 525 HB3 PRO 93 HB3 PRO 93 0.929 -6.851 13.879 526 HG2 PRO 93 HG2 PRO 93 3.465 -6.068 12.402 527 HG3 PRO 93 HG3 PRO 93 3.279 -7.142 13.796 528 HD2 PRO 93 HD2 PRO 93 3.522 -8.143 11.260 529 HD3 PRO 93 HD3 PRO 93 2.513 -8.954 12.465 530 H LEU 94 H LEU 94 -0.842 -4.533 11.706 531 HA LEU 94 HA LEU 94 -0.505 -3.602 9.115 532 HB2 LEU 94 HB2 LEU 94 -1.294 -2.321 11.622 533 HB3 LEU 94 HB3 LEU 94 -1.440 -1.369 10.128 534 HG LEU 94 HG LEU 94 -2.876 -3.983 10.739 535 HD11 LEU 94 HD11 LEU 94 -4.937 -2.552 10.767 536 HD12 LEU 94 HD12 LEU 94 -3.780 -2.044 12.021 537 HD13 LEU 94 HD13 LEU 94 -3.923 -1.113 10.512 538 HD21 LEU 94 HD21 LEU 94 -4.104 -3.554 8.640 539 HD22 LEU 94 HD22 LEU 94 -3.068 -2.137 8.343 540 HD23 LEU 94 HD23 LEU 94 -2.356 -3.768 8.381 541 H ASN 95 H ASN 95 1.365 -2.955 11.991 542 HA ASN 95 HA ASN 95 2.761 -0.687 10.998 543 HB2 ASN 95 HB2 ASN 95 3.605 -2.505 13.365 544 HB3 ASN 95 HB3 ASN 95 4.332 -1.114 12.526 545 HD21 ASN 95 HD21 ASN 95 3.293 -1.513 15.290 546 HD22 ASN 95 HD22 ASN 95 2.170 -0.218 15.537 547 H GLN 96 H GLN 96 3.398 -4.158 10.971 548 HA GLN 96 HA GLN 96 5.862 -3.659 9.440 549 HB2 GLN 96 HB2 GLN 96 5.022 -6.107 10.983 550 HB3 GLN 96 HB3 GLN 96 6.545 -5.917 10.082 551 HG2 GLN 96 HG2 GLN 96 5.882 -4.478 12.786 552 HG3 GLN 96 HG3 GLN 96 7.018 -5.694 12.157 553 HE21 GLN 96 HE21 GLN 96 6.933 -2.672 13.239 554 HE22 GLN 96 HE22 GLN 96 8.131 -1.918 12.241 555 H ALA 97 H ALA 97 2.864 -4.021 8.674 556 HA ALA 97 HA ALA 97 2.911 -6.329 6.956 557 HB1 ALA 97 HB1 ALA 97 0.819 -5.587 7.952 558 HB2 ALA 97 HB2 ALA 97 0.947 -4.045 7.104 559 HB3 ALA 97 HB3 ALA 97 0.722 -5.538 6.191 560 H ARG 98 H ARG 98 3.579 -6.430 4.886 561 HA ARG 98 HA ARG 98 3.889 -3.920 3.390 562 HB2 ARG 98 HB2 ARG 98 5.002 -6.620 2.848 563 HB3 ARG 98 HB3 ARG 98 5.050 -5.262 1.700 564 HG2 ARG 98 HG2 ARG 98 6.283 -3.932 3.423 565 HG3 ARG 98 HG3 ARG 98 6.346 -5.393 4.438 566 HD2 ARG 98 HD2 ARG 98 7.494 -6.493 2.471 567 HD3 ARG 98 HD3 ARG 98 7.692 -4.847 1.828 568 HE ARG 98 HE ARG 98 9.242 -5.933 4.134 569 HH11 ARG 98 HH11 ARG 98 8.347 -3.110 2.295 570 HH12 ARG 98 HH12 ARG 98 9.707 -2.233 2.967 571 HH21 ARG 98 HH21 ARG 98 10.810 -4.945 4.905 572 HH22 ARG 98 HH22 ARG 98 11.113 -3.279 4.456 573 H ALA 99 H ALA 99 1.326 -5.266 4.027 574 HA ALA 99 HA ALA 99 0.204 -5.001 1.388 575 HB1 ALA 99 HB1 ALA 99 -1.012 -7.229 1.588 576 HB2 ALA 99 HB2 ALA 99 0.693 -7.284 1.141 577 HB3 ALA 99 HB3 ALA 99 0.203 -7.655 2.794 578 H TRP 100 H TRP 100 -1.834 -4.223 1.470 579 HA TRP 100 HA TRP 100 -3.289 -4.392 4.017 580 HB2 TRP 100 HB2 TRP 100 -3.012 -1.868 2.373 581 HB3 TRP 100 HB3 TRP 100 -3.901 -2.043 3.886 582 HD1 TRP 100 HD1 TRP 100 -2.551 -1.832 6.114 583 HE1 TRP 100 HE1 TRP 100 -0.101 -1.268 6.670 584 HE3 TRP 100 HE3 TRP 100 -0.547 -2.210 1.427 585 HZ2 TRP 100 HZ2 TRP 100 2.353 -1.016 5.302 586 HZ3 TRP 100 HZ3 TRP 100 1.860 -1.792 1.135 587 HH2 TRP 100 HH2 TRP 100 3.278 -1.206 3.033 588 H SER 101 H SER 101 -5.504 -4.515 3.859 589 HA SER 101 HA SER 101 -6.535 -5.483 1.384 590 HB2 SER 101 HB2 SER 101 -8.594 -5.825 2.549 591 HB3 SER 101 HB3 SER 101 -7.248 -6.303 3.608 592 HG SER 101 HG SER 101 -8.717 -5.070 4.766 593 H TRP 102 H TRP 102 -8.120 -4.584 0.050 594 HA TRP 102 HA TRP 102 -8.196 -1.816 -0.349 595 HB2 TRP 102 HB2 TRP 102 -9.830 -4.129 -1.280 596 HB3 TRP 102 HB3 TRP 102 -10.489 -2.512 -1.510 597 HD1 TRP 102 HD1 TRP 102 -8.631 -4.939 -3.376 598 HE1 TRP 102 HE1 TRP 102 -7.210 -3.866 -5.233 599 HE3 TRP 102 HE3 TRP 102 -8.741 -0.084 -1.779 600 HZ2 TRP 102 HZ2 TRP 102 -6.261 -1.301 -5.930 601 HZ3 TRP 102 HZ3 TRP 102 -7.551 1.617 -3.097 602 HH2 TRP 102 HH2 TRP 102 -6.336 1.020 -5.129 603 H GLU 103 H GLU 103 -10.131 -3.908 1.685 604 HA GLU 103 HA GLU 103 -12.137 -2.071 2.396 605 HB2 GLU 103 HB2 GLU 103 -10.907 -4.373 3.884 606 HB3 GLU 103 HB3 GLU 103 -12.274 -3.421 4.515 607 HG2 GLU 103 HG2 GLU 103 -13.672 -4.152 2.546 608 HG3 GLU 103 HG3 GLU 103 -12.196 -4.938 1.940 609 H PHE 104 H PHE 104 -9.041 -2.832 3.981 610 HA PHE 104 HA PHE 104 -9.213 -0.886 5.995 611 HB2 PHE 104 HB2 PHE 104 -7.587 -2.708 6.132 612 HB3 PHE 104 HB3 PHE 104 -6.741 -2.084 4.698 613 HD1 PHE 104 HD1 PHE 104 -7.626 -1.314 8.212 614 HD2 PHE 104 HD2 PHE 104 -5.096 -0.459 4.877 615 HE1 PHE 104 HE1 PHE 104 -6.175 0.061 9.667 616 HE2 PHE 104 HE2 PHE 104 -3.641 0.914 6.330 617 HZ PHE 104 HZ PHE 104 -4.182 1.175 8.726 618 H ILE 105 H ILE 105 -7.817 -0.757 2.743 619 HA ILE 105 HA ILE 105 -6.683 1.791 2.891 620 HB ILE 105 HB ILE 105 -7.780 0.244 0.533 621 HG12 ILE 105 HG12 ILE 105 -4.951 0.924 1.279 622 HG13 ILE 105 HG13 ILE 105 -5.786 -0.560 1.797 623 HG21 ILE 105 HG21 ILE 105 -6.630 1.894 -0.904 624 HG22 ILE 105 HG22 ILE 105 -7.926 2.663 0.042 625 HG23 ILE 105 HG23 ILE 105 -6.228 2.866 0.532 626 HD11 ILE 105 HD11 ILE 105 -4.381 -0.975 -0.183 627 HD12 ILE 105 HD12 ILE 105 -6.105 -1.203 -0.560 628 HD13 ILE 105 HD13 ILE 105 -5.269 0.280 -1.078 629 H LYS 106 H LYS 106 -9.921 0.801 1.809 630 HA LYS 106 HA LYS 106 -10.772 3.440 1.177 631 HB2 LYS 106 HB2 LYS 106 -12.252 0.869 1.634 632 HB3 LYS 106 HB3 LYS 106 -13.071 2.396 1.230 633 HG2 LYS 106 HG2 LYS 106 -11.985 2.505 -0.907 634 HG3 LYS 106 HG3 LYS 106 -10.913 1.147 -0.494 635 HD2 LYS 106 HD2 LYS 106 -12.613 0.276 -1.931 636 HD3 LYS 106 HD3 LYS 106 -12.974 -0.294 -0.284 637 HE2 LYS 106 HE2 LYS 106 -14.637 1.467 -0.009 638 HE3 LYS 106 HE3 LYS 106 -14.245 2.116 -1.617 639 HZ1 LYS 106 HZ1 LYS 106 -16.215 0.741 -1.667 640 HZ2 LYS 106 HZ2 LYS 106 -15.018 0.048 -2.567 641 HZ3 LYS 106 HZ3 LYS 106 -15.383 -0.552 -1.074 642 H ASN 107 H ASN 107 -10.958 1.423 4.045 643 HA ASN 107 HA ASN 107 -12.830 2.944 5.490 644 HB2 ASN 107 HB2 ASN 107 -10.681 1.032 6.646 645 HB3 ASN 107 HB3 ASN 107 -11.856 2.154 7.374 646 HD21 ASN 107 HD21 ASN 107 -11.606 -0.801 7.424 647 HD22 ASN 107 HD22 ASN 107 -13.144 -1.397 6.896 648 H ARG 108 H ARG 108 -9.299 3.128 5.287 649 HA ARG 108 HA ARG 108 -9.148 5.363 7.098 650 HB2 ARG 108 HB2 ARG 108 -7.023 4.287 5.317 651 HB3 ARG 108 HB3 ARG 108 -6.835 5.482 6.622 652 HG2 ARG 108 HG2 ARG 108 -7.901 2.697 7.118 653 HG3 ARG 108 HG3 ARG 108 -6.160 3.065 7.135 654 HD2 ARG 108 HD2 ARG 108 -6.741 3.157 9.338 655 HD3 ARG 108 HD3 ARG 108 -6.787 4.864 8.836 656 HE ARG 108 HE ARG 108 -9.172 4.824 9.408 657 HH11 ARG 108 HH11 ARG 108 -8.067 1.544 8.985 658 HH12 ARG 108 HH12 ARG 108 -9.598 0.944 9.592 659 HH21 ARG 108 HH21 ARG 108 -10.934 4.153 10.096 660 HH22 ARG 108 HH22 ARG 108 -11.234 2.431 10.226 661 H LEU 109 H LEU 109 -9.336 4.872 3.644 662 HA LEU 109 HA LEU 109 -8.475 7.460 2.864 663 HB2 LEU 109 HB2 LEU 109 -8.357 5.705 1.441 664 HB3 LEU 109 HB3 LEU 109 -10.096 5.336 1.390 665 HG LEU 109 HG LEU 109 -10.507 7.537 0.318 666 HD11 LEU 109 HD11 LEU 109 -8.543 8.804 -0.597 667 HD12 LEU 109 HD12 LEU 109 -8.483 8.713 1.179 668 HD13 LEU 109 HD13 LEU 109 -7.448 7.649 0.198 669 HD21 LEU 109 HD21 LEU 109 -9.592 6.954 -1.902 670 HD22 LEU 109 HD22 LEU 109 -8.522 5.760 -1.128 671 HD23 LEU 109 HD23 LEU 109 -10.288 5.552 -1.055 672 H LYS 110 H LYS 110 -11.651 6.050 3.519 673 HA LYS 110 HA LYS 110 -13.201 8.292 2.818 674 HB2 LYS 110 HB2 LYS 110 -13.647 6.007 4.708 675 HB3 LYS 110 HB3 LYS 110 -14.851 7.299 4.483 676 HG2 LYS 110 HG2 LYS 110 -14.995 6.753 2.088 677 HG3 LYS 110 HG3 LYS 110 -13.785 5.467 2.308 678 HD2 LYS 110 HD2 LYS 110 -15.296 4.312 3.873 679 HD3 LYS 110 HD3 LYS 110 -16.507 5.597 3.648 680 HE2 LYS 110 HE2 LYS 110 -16.629 5.055 1.249 681 HE3 LYS 110 HE3 LYS 110 -15.435 3.758 1.486 682 HZ1 LYS 110 HZ1 LYS 110 -17.681 2.909 1.474 683 HZ2 LYS 110 HZ2 LYS 110 -16.996 2.678 2.957 684 HZ3 LYS 110 HZ3 LYS 110 -18.103 3.881 2.736 685 H GLU 111 H GLU 111 -11.436 7.458 5.733 686 HA GLU 111 HA GLU 111 -12.395 9.698 7.247 687 HB2 GLU 111 HB2 GLU 111 -10.024 7.882 7.592 688 HB3 GLU 111 HB3 GLU 111 -10.451 9.185 8.728 689 HG2 GLU 111 HG2 GLU 111 -12.560 8.024 9.327 690 HG3 GLU 111 HG3 GLU 111 -12.264 6.948 7.944 691 H LEU 112 H LEU 112 -9.834 9.125 4.965 692 HA LEU 112 HA LEU 112 -8.646 11.742 5.578 693 HB2 LEU 112 HB2 LEU 112 -7.740 9.212 4.589 694 HB3 LEU 112 HB3 LEU 112 -6.866 10.560 3.821 695 HG LEU 112 HG LEU 112 -6.217 11.384 6.073 696 HD11 LEU 112 HD11 LEU 112 -6.528 9.855 8.038 697 HD12 LEU 112 HD12 LEU 112 -8.093 10.362 7.359 698 HD13 LEU 112 HD13 LEU 112 -7.451 8.739 7.005 699 HD21 LEU 112 HD21 LEU 112 -4.538 9.635 6.547 700 HD22 LEU 112 HD22 LEU 112 -5.425 8.519 5.480 701 HD23 LEU 112 HD23 LEU 112 -4.684 9.992 4.811 702 H ASN 113 H ASN 113 -11.098 11.555 4.132 703 HA ASN 113 HA ASN 113 -10.341 13.130 1.843 704 HB2 ASN 113 HB2 ASN 113 -10.405 10.583 0.924 705 HB3 ASN 113 HB3 ASN 113 -12.058 10.901 1.501 706 HD21 ASN 113 HD21 ASN 113 -13.339 11.109 -0.154 707 HD22 ASN 113 HD22 ASN 113 -13.031 12.043 -1.580 708 H LEU 114 H LEU 114 -11.876 14.609 1.337 709 HA LEU 114 HA LEU 114 -14.428 14.414 2.796 710 HB2 LEU 114 HB2 LEU 114 -12.860 16.726 1.900 711 HB3 LEU 114 HB3 LEU 114 -14.424 16.969 2.710 712 HG LEU 114 HG LEU 114 -11.914 15.749 3.924 713 HD11 LEU 114 HD11 LEU 114 -11.986 17.764 5.416 714 HD12 LEU 114 HD12 LEU 114 -11.838 18.232 3.706 715 HD13 LEU 114 HD13 LEU 114 -13.412 18.351 4.528 716 HD21 LEU 114 HD21 LEU 114 -13.198 15.672 6.034 717 HD22 LEU 114 HD22 LEU 114 -14.647 16.215 5.151 718 HD23 LEU 114 HD23 LEU 114 -13.903 14.645 4.763 Start of MODEL 9 1 H1 GLY 29 H1 GLY 29 14.553 -18.456 -13.967 2 H2 GLY 29 H2 GLY 29 14.848 -18.465 -12.496 3 H3 GLY 29 H3 GLY 29 14.191 -19.652 -13.136 4 HA2 GLY 29 HA2 GLY 29 12.843 -17.465 -11.957 5 HA3 GLY 29 HA3 GLY 29 12.497 -17.456 -13.679 6 H SER 30 H SER 30 11.565 -18.712 -10.684 7 HA SER 30 HA SER 30 10.807 -21.318 -11.798 8 HB2 SER 30 HB2 SER 30 12.343 -21.421 -9.945 9 HB3 SER 30 HB3 SER 30 11.247 -20.439 -8.948 10 HG SER 30 HG SER 30 9.724 -22.147 -9.127 11 H GLU 31 H GLU 31 8.774 -21.136 -12.587 12 HA GLU 31 HA GLU 31 6.647 -19.817 -11.223 13 HB2 GLU 31 HB2 GLU 31 6.678 -21.893 -13.399 14 HB3 GLU 31 HB3 GLU 31 5.191 -21.148 -12.763 15 HG2 GLU 31 HG2 GLU 31 6.075 -18.876 -13.530 16 HG3 GLU 31 HG3 GLU 31 7.494 -19.786 -14.096 17 H GLU 32 H GLU 32 5.014 -20.675 -9.941 18 HA GLU 32 HA GLU 32 5.394 -23.420 -8.979 19 HB2 GLU 32 HB2 GLU 32 3.662 -21.185 -7.951 20 HB3 GLU 32 HB3 GLU 32 3.721 -22.826 -7.265 21 HG2 GLU 32 HG2 GLU 32 6.177 -22.446 -6.700 22 HG3 GLU 32 HG3 GLU 32 5.958 -20.853 -7.460 23 H LYS 33 H LYS 33 3.523 -21.589 -11.130 24 HA LYS 33 HA LYS 33 1.878 -22.236 -12.586 25 HB2 LYS 33 HB2 LYS 33 1.913 -24.827 -11.055 26 HB3 LYS 33 HB3 LYS 33 0.995 -24.516 -12.549 27 HG2 LYS 33 HG2 LYS 33 4.022 -24.409 -12.300 28 HG3 LYS 33 HG3 LYS 33 3.099 -25.790 -12.940 29 HD2 LYS 33 HD2 LYS 33 2.156 -24.311 -14.697 30 HD3 LYS 33 HD3 LYS 33 3.157 -22.975 -14.080 31 HE2 LYS 33 HE2 LYS 33 5.186 -24.316 -14.527 32 HE3 LYS 33 HE3 LYS 33 4.166 -25.609 -15.199 33 HZ1 LYS 33 HZ1 LYS 33 5.073 -24.205 -16.924 34 HZ2 LYS 33 HZ2 LYS 33 3.430 -24.063 -16.884 35 HZ3 LYS 33 HZ3 LYS 33 4.377 -22.865 -16.261 36 H GLU 34 H GLU 34 1.305 -20.712 -10.262 37 HA GLU 34 HA GLU 34 -1.547 -21.406 -10.127 38 HB2 GLU 34 HB2 GLU 34 0.008 -19.221 -8.762 39 HB3 GLU 34 HB3 GLU 34 -1.751 -19.460 -8.626 40 HG2 GLU 34 HG2 GLU 34 -1.277 -21.756 -7.582 41 HG3 GLU 34 HG3 GLU 34 0.435 -21.312 -7.771 42 H GLU 35 H GLU 35 -3.029 -19.438 -10.453 43 HA GLU 35 HA GLU 35 -2.134 -17.903 -12.788 44 HB2 GLU 35 HB2 GLU 35 -4.871 -18.381 -11.635 45 HB3 GLU 35 HB3 GLU 35 -4.536 -17.278 -12.993 46 HG2 GLU 35 HG2 GLU 35 -3.645 -19.295 -14.306 47 HG3 GLU 35 HG3 GLU 35 -4.086 -20.230 -12.859 48 H LYS 36 H LYS 36 -1.232 -16.015 -12.310 49 HA LYS 36 HA LYS 36 -2.219 -14.538 -9.960 50 HB2 LYS 36 HB2 LYS 36 0.495 -14.525 -11.260 51 HB3 LYS 36 HB3 LYS 36 -0.004 -13.438 -9.942 52 HG2 LYS 36 HG2 LYS 36 -0.308 -15.336 -8.445 53 HG3 LYS 36 HG3 LYS 36 0.078 -16.469 -9.763 54 HD2 LYS 36 HD2 LYS 36 2.338 -15.464 -9.933 55 HD3 LYS 36 HD3 LYS 36 1.945 -14.392 -8.567 56 HE2 LYS 36 HE2 LYS 36 1.549 -16.400 -7.156 57 HE3 LYS 36 HE3 LYS 36 2.056 -17.423 -8.518 58 HZ1 LYS 36 HZ1 LYS 36 3.855 -17.043 -6.974 59 HZ2 LYS 36 HZ2 LYS 36 4.208 -16.358 -8.434 60 HZ3 LYS 36 HZ3 LYS 36 3.738 -15.409 -7.170 61 H LYS 37 H LYS 37 -3.896 -13.665 -11.389 62 HA LYS 37 HA LYS 37 -2.988 -11.777 -13.415 63 HB2 LYS 37 HB2 LYS 37 -4.865 -13.255 -13.906 64 HB3 LYS 37 HB3 LYS 37 -5.771 -12.536 -12.554 65 HG2 LYS 37 HG2 LYS 37 -5.814 -10.377 -13.683 66 HG3 LYS 37 HG3 LYS 37 -4.813 -11.023 -15.007 67 HD2 LYS 37 HD2 LYS 37 -6.597 -12.635 -15.561 68 HD3 LYS 37 HD3 LYS 37 -7.598 -11.972 -14.248 69 HE2 LYS 37 HE2 LYS 37 -7.600 -9.777 -15.350 70 HE3 LYS 37 HE3 LYS 37 -6.595 -10.433 -16.662 71 HZ1 LYS 37 HZ1 LYS 37 -8.918 -10.380 -17.264 72 HZ2 LYS 37 HZ2 LYS 37 -8.387 -11.941 -17.194 73 HZ3 LYS 37 HZ3 LYS 37 -9.320 -11.331 -15.978 74 H VAL 38 H VAL 38 -2.894 -9.630 -13.137 75 HA VAL 38 HA VAL 38 -4.022 -8.498 -10.665 76 HB VAL 38 HB VAL 38 -1.972 -7.138 -10.355 77 HG11 VAL 38 HG11 VAL 38 -0.542 -8.970 -9.516 78 HG12 VAL 38 HG12 VAL 38 -2.251 -9.258 -9.116 79 HG13 VAL 38 HG13 VAL 38 -1.488 -10.144 -10.460 80 HG21 VAL 38 HG21 VAL 38 0.071 -7.728 -11.558 81 HG22 VAL 38 HG22 VAL 38 -0.855 -8.857 -12.575 82 HG23 VAL 38 HG23 VAL 38 -1.191 -7.111 -12.648 83 H ARG 39 H ARG 39 -4.077 -6.079 -10.708 84 HA ARG 39 HA ARG 39 -4.489 -5.027 -13.407 85 HB2 ARG 39 HB2 ARG 39 -5.071 -3.726 -10.796 86 HB3 ARG 39 HB3 ARG 39 -5.413 -3.073 -12.415 87 HG2 ARG 39 HG2 ARG 39 -6.588 -5.635 -11.297 88 HG3 ARG 39 HG3 ARG 39 -7.409 -4.056 -11.289 89 HD2 ARG 39 HD2 ARG 39 -6.500 -5.523 -13.744 90 HD3 ARG 39 HD3 ARG 39 -8.148 -5.552 -13.072 91 HE ARG 39 HE ARG 39 -7.374 -2.801 -13.746 92 HH11 ARG 39 HH11 ARG 39 -8.398 -5.790 -15.219 93 HH12 ARG 39 HH12 ARG 39 -9.110 -4.899 -16.548 94 HH21 ARG 39 HH21 ARG 39 -8.177 -1.766 -15.266 95 HH22 ARG 39 HH22 ARG 39 -8.984 -2.603 -16.577 96 H GLU 40 H GLU 40 -3.744 -2.582 -13.546 97 HA GLU 40 HA GLU 40 -0.856 -2.894 -13.483 98 HB2 GLU 40 HB2 GLU 40 -0.761 -1.118 -15.067 99 HB3 GLU 40 HB3 GLU 40 -1.994 -2.302 -15.564 100 HG2 GLU 40 HG2 GLU 40 -3.784 -0.712 -14.648 101 HG3 GLU 40 HG3 GLU 40 -2.412 0.349 -14.252 102 H LEU 41 H LEU 41 0.372 -0.695 -13.246 103 HA LEU 41 HA LEU 41 -0.530 0.475 -10.698 104 HB2 LEU 41 HB2 LEU 41 2.021 -0.325 -11.806 105 HB3 LEU 41 HB3 LEU 41 2.128 0.987 -10.610 106 HG LEU 41 HG LEU 41 1.056 -0.455 -8.926 107 HD11 LEU 41 HD11 LEU 41 0.737 -2.894 -9.423 108 HD12 LEU 41 HD12 LEU 41 -0.264 -1.881 -10.488 109 HD13 LEU 41 HD13 LEU 41 1.242 -2.602 -11.103 110 HD21 LEU 41 HD21 LEU 41 2.925 -2.034 -8.586 111 HD22 LEU 41 HD22 LEU 41 3.472 -1.717 -10.251 112 HD23 LEU 41 HD23 LEU 41 3.477 -0.406 -9.048 113 H THR 42 H THR 42 -1.716 2.122 -11.774 114 HA THR 42 HA THR 42 -0.262 4.005 -13.440 115 HB THR 42 HB THR 42 -2.392 5.198 -13.669 116 HG1 THR 42 HG1 THR 42 -4.245 4.277 -12.605 117 HG21 THR 42 HG21 THR 42 -3.690 3.405 -14.767 118 HG22 THR 42 HG22 THR 42 -1.955 3.261 -15.141 119 HG23 THR 42 HG23 THR 42 -2.698 2.181 -13.939 120 HA PRO 43 HA PRO 43 0.656 7.104 -10.394 121 HB2 PRO 43 HB2 PRO 43 -0.129 9.401 -11.673 122 HB3 PRO 43 HB3 PRO 43 1.378 8.546 -12.025 123 HG2 PRO 43 HG2 PRO 43 -1.287 8.390 -13.473 124 HG3 PRO 43 HG3 PRO 43 0.340 8.524 -14.152 125 HD2 PRO 43 HD2 PRO 43 -0.908 6.114 -14.062 126 HD3 PRO 43 HD3 PRO 43 0.834 6.218 -13.774 127 H GLN 44 H GLN 44 -2.561 7.028 -11.826 128 HA GLN 44 HA GLN 44 -3.864 8.555 -9.828 129 HB2 GLN 44 HB2 GLN 44 -4.812 8.071 -12.043 130 HB3 GLN 44 HB3 GLN 44 -4.974 6.363 -11.571 131 HG2 GLN 44 HG2 GLN 44 -7.304 7.404 -11.111 132 HG3 GLN 44 HG3 GLN 44 -6.223 7.053 -9.742 133 HE21 GLN 44 HE21 GLN 44 -7.345 8.525 -8.414 134 HE22 GLN 44 HE22 GLN 44 -7.163 10.238 -8.600 135 H GLU 45 H GLU 45 -3.170 5.111 -10.173 136 HA GLU 45 HA GLU 45 -4.620 4.301 -7.864 137 HB2 GLU 45 HB2 GLU 45 -2.422 3.004 -9.450 138 HB3 GLU 45 HB3 GLU 45 -3.195 2.233 -8.043 139 HG2 GLU 45 HG2 GLU 45 -4.600 2.988 -10.675 140 HG3 GLU 45 HG3 GLU 45 -4.113 1.398 -10.046 141 H LEU 46 H LEU 46 -1.308 5.321 -8.452 142 HA LEU 46 HA LEU 46 -0.325 4.487 -5.901 143 HB2 LEU 46 HB2 LEU 46 0.575 5.855 -8.237 144 HB3 LEU 46 HB3 LEU 46 1.528 6.346 -6.816 145 HG LEU 46 HG LEU 46 2.246 4.080 -6.427 146 HD11 LEU 46 HD11 LEU 46 1.532 2.210 -7.940 147 HD12 LEU 46 HD12 LEU 46 0.138 2.933 -7.104 148 HD13 LEU 46 HD13 LEU 46 0.463 3.338 -8.805 149 HD21 LEU 46 HD21 LEU 46 3.518 3.617 -8.495 150 HD22 LEU 46 HD22 LEU 46 2.487 4.778 -9.367 151 HD23 LEU 46 HD23 LEU 46 3.540 5.339 -8.047 152 H GLU 47 H GLU 47 -1.537 7.502 -7.256 153 HA GLU 47 HA GLU 47 -0.817 9.170 -5.088 154 HB2 GLU 47 HB2 GLU 47 -2.905 9.396 -7.233 155 HB3 GLU 47 HB3 GLU 47 -2.670 10.646 -5.987 156 HG2 GLU 47 HG2 GLU 47 -0.326 11.028 -6.819 157 HG3 GLU 47 HG3 GLU 47 -0.603 9.642 -7.898 158 H LEU 48 H LEU 48 -3.836 7.473 -5.883 159 HA LEU 48 HA LEU 48 -5.308 8.469 -3.692 160 HB2 LEU 48 HB2 LEU 48 -7.000 7.018 -4.334 161 HB3 LEU 48 HB3 LEU 48 -6.143 7.345 -5.838 162 HG LEU 48 HG LEU 48 -4.881 5.121 -5.234 163 HD11 LEU 48 HD11 LEU 48 -7.490 4.313 -4.087 164 HD12 LEU 48 HD12 LEU 48 -6.370 5.174 -3.029 165 HD13 LEU 48 HD13 LEU 48 -5.871 3.669 -3.802 166 HD21 LEU 48 HD21 LEU 48 -6.266 3.999 -6.733 167 HD22 LEU 48 HD22 LEU 48 -6.502 5.697 -7.149 168 HD23 LEU 48 HD23 LEU 48 -7.711 4.847 -6.184 169 H PHE 49 H PHE 49 -3.083 5.820 -4.041 170 HA PHE 49 HA PHE 49 -3.741 4.437 -1.658 171 HB2 PHE 49 HB2 PHE 49 -2.405 3.341 -3.382 172 HB3 PHE 49 HB3 PHE 49 -1.120 4.554 -3.187 173 HD1 PHE 49 HD1 PHE 49 -2.929 1.827 -1.442 174 HD2 PHE 49 HD2 PHE 49 0.567 4.275 -1.629 175 HE1 PHE 49 HE1 PHE 49 -1.840 0.399 0.257 176 HE2 PHE 49 HE2 PHE 49 1.660 2.847 0.068 177 HZ PHE 49 HZ PHE 49 0.454 0.909 1.013 178 H LYS 50 H LYS 50 -1.083 6.709 -2.360 179 HA LYS 50 HA LYS 50 -0.225 6.941 0.320 180 HB2 LYS 50 HB2 LYS 50 1.117 8.758 -0.387 181 HB3 LYS 50 HB3 LYS 50 1.136 7.506 -1.651 182 HG2 LYS 50 HG2 LYS 50 -0.458 8.802 -2.984 183 HG3 LYS 50 HG3 LYS 50 -0.539 10.040 -1.707 184 HD2 LYS 50 HD2 LYS 50 1.888 10.462 -2.000 185 HD3 LYS 50 HD3 LYS 50 1.917 9.274 -3.324 186 HE2 LYS 50 HE2 LYS 50 0.270 10.629 -4.562 187 HE3 LYS 50 HE3 LYS 50 0.279 11.827 -3.247 188 HZ1 LYS 50 HZ1 LYS 50 1.719 12.480 -5.055 189 HZ2 LYS 50 HZ2 LYS 50 2.609 12.203 -3.693 190 HZ3 LYS 50 HZ3 LYS 50 2.601 11.093 -4.913 191 H ARG 51 H ARG 51 -2.707 8.559 -1.520 192 HA ARG 51 HA ARG 51 -3.145 10.737 0.230 193 HB2 ARG 51 HB2 ARG 51 -3.930 10.796 -1.995 194 HB3 ARG 51 HB3 ARG 51 -5.042 9.446 -1.663 195 HG2 ARG 51 HG2 ARG 51 -6.278 10.829 -0.072 196 HG3 ARG 51 HG3 ARG 51 -5.145 12.175 -0.341 197 HD2 ARG 51 HD2 ARG 51 -5.868 12.328 -2.638 198 HD3 ARG 51 HD3 ARG 51 -6.989 10.971 -2.381 199 HE ARG 51 HE ARG 51 -7.735 13.112 -0.568 200 HH11 ARG 51 HH11 ARG 51 -7.696 12.463 -3.994 201 HH12 ARG 51 HH12 ARG 51 -9.081 13.515 -4.214 202 HH21 ARG 51 HH21 ARG 51 -9.315 14.327 -0.806 203 HH22 ARG 51 HH22 ARG 51 -10.004 14.579 -2.398 204 H ALA 52 H ALA 52 -4.910 7.655 -0.112 205 HA ALA 52 HA ALA 52 -6.552 8.054 2.151 206 HB1 ALA 52 HB1 ALA 52 -7.120 6.502 0.343 207 HB2 ALA 52 HB2 ALA 52 -5.784 5.458 0.824 208 HB3 ALA 52 HB3 ALA 52 -7.143 5.708 1.918 209 H MET 53 H MET 53 -3.352 6.717 1.738 210 HA MET 53 HA MET 53 -3.255 5.374 4.257 211 HB2 MET 53 HB2 MET 53 -1.887 4.794 2.274 212 HB3 MET 53 HB3 MET 53 -0.971 6.298 2.527 213 HG2 MET 53 HG2 MET 53 0.270 4.412 3.424 214 HG3 MET 53 HG3 MET 53 -0.262 5.482 4.741 215 HE1 MET 53 HE1 MET 53 -2.006 1.302 3.779 216 HE2 MET 53 HE2 MET 53 -2.131 2.667 2.641 217 HE3 MET 53 HE3 MET 53 -0.536 1.990 3.050 218 H GLY 54 H GLY 54 -2.920 8.630 3.279 219 HA2 GLY 54 HA2 GLY 54 -2.577 10.527 4.555 220 HA3 GLY 54 HA3 GLY 54 -2.408 9.496 5.967 221 H ILE 55 H ILE 55 -0.485 9.191 3.041 222 HA ILE 55 HA ILE 55 1.898 8.864 4.449 223 HB ILE 55 HB ILE 55 1.487 9.680 1.557 224 HG12 ILE 55 HG12 ILE 55 0.480 7.574 2.160 225 HG13 ILE 55 HG13 ILE 55 1.853 7.380 1.048 226 HG21 ILE 55 HG21 ILE 55 3.809 8.904 1.220 227 HG22 ILE 55 HG22 ILE 55 3.752 10.281 2.343 228 HG23 ILE 55 HG23 ILE 55 3.973 8.631 2.969 229 HD11 ILE 55 HD11 ILE 55 1.859 5.629 2.780 230 HD12 ILE 55 HD12 ILE 55 3.284 6.685 2.930 231 HD13 ILE 55 HD13 ILE 55 1.909 6.878 4.043 232 H THR 56 H THR 56 3.338 10.226 5.301 233 HA THR 56 HA THR 56 3.277 13.045 4.446 234 HB THR 56 HB THR 56 3.895 13.740 6.719 235 HG1 THR 56 HG1 THR 56 3.544 10.970 7.347 236 HG21 THR 56 HG21 THR 56 1.745 13.247 7.830 237 HG22 THR 56 HG22 THR 56 1.500 13.645 6.113 238 HG23 THR 56 HG23 THR 56 1.433 11.951 6.653 239 HA PRO 57 HA PRO 57 7.641 12.847 3.731 240 HB2 PRO 57 HB2 PRO 57 8.478 15.285 4.649 241 HB3 PRO 57 HB3 PRO 57 7.629 15.060 3.112 242 HG2 PRO 57 HG2 PRO 57 6.502 15.891 5.809 243 HG3 PRO 57 HG3 PRO 57 6.193 16.591 4.215 244 HD2 PRO 57 HD2 PRO 57 4.417 14.854 5.324 245 HD3 PRO 57 HD3 PRO 57 4.715 14.829 3.581 246 H HIS 58 H HIS 58 6.332 13.207 6.890 247 HA HIS 58 HA HIS 58 8.777 13.051 8.350 248 HB2 HIS 58 HB2 HIS 58 5.901 12.505 9.156 249 HB3 HIS 58 HB3 HIS 58 7.272 12.426 10.288 250 HD1 HIS 58 HD1 HIS 58 8.784 14.812 10.166 251 HD2 HIS 58 HD2 HIS 58 4.689 15.028 9.192 252 HE1 HIS 58 HE1 HIS 58 8.128 17.140 10.522 253 H ASN 59 H ASN 59 6.586 10.723 6.943 254 HA ASN 59 HA ASN 59 8.473 8.597 7.698 255 HB2 ASN 59 HB2 ASN 59 6.610 7.024 8.337 256 HB3 ASN 59 HB3 ASN 59 6.651 8.671 9.012 257 HD21 ASN 59 HD21 ASN 59 4.396 7.108 9.127 258 HD22 ASN 59 HD22 ASN 59 3.171 7.790 8.111 259 H TYR 60 H TYR 60 8.076 10.223 5.255 260 HA TYR 60 HA TYR 60 6.767 8.688 3.272 261 HB2 TYR 60 HB2 TYR 60 7.188 11.052 2.995 262 HB3 TYR 60 HB3 TYR 60 8.943 10.755 3.018 263 HD1 TYR 60 HD1 TYR 60 5.831 10.041 1.086 264 HD2 TYR 60 HD2 TYR 60 10.091 10.231 1.022 265 HE1 TYR 60 HE1 TYR 60 5.800 9.717 -1.370 266 HE2 TYR 60 HE2 TYR 60 10.078 9.909 -1.430 267 HH TYR 60 HH TYR 60 8.804 9.607 -3.292 268 H TRP 61 H TRP 61 10.087 8.785 4.441 269 HA TRP 61 HA TRP 61 11.194 7.172 2.390 270 HB2 TRP 61 HB2 TRP 61 12.152 7.900 5.172 271 HB3 TRP 61 HB3 TRP 61 13.092 6.853 4.084 272 HD1 TRP 61 HD1 TRP 61 12.522 10.262 4.976 273 HE1 TRP 61 HE1 TRP 61 13.768 11.948 3.270 274 HE3 TRP 61 HE3 TRP 61 13.603 6.921 1.302 275 HZ2 TRP 61 HZ2 TRP 61 14.965 11.708 0.792 276 HZ3 TRP 61 HZ3 TRP 61 14.771 7.640 -0.689 277 HH2 TRP 61 HH2 TRP 61 15.469 9.976 -0.998 278 H GLN 62 H GLN 62 9.912 6.456 5.610 279 HA GLN 62 HA GLN 62 10.578 3.735 5.694 280 HB2 GLN 62 HB2 GLN 62 8.319 5.282 6.939 281 HB3 GLN 62 HB3 GLN 62 8.615 3.557 7.264 282 HG2 GLN 62 HG2 GLN 62 10.995 4.312 8.278 283 HG3 GLN 62 HG3 GLN 62 10.345 5.842 7.642 284 HE21 GLN 62 HE21 GLN 62 11.226 5.402 10.317 285 HE22 GLN 62 HE22 GLN 62 9.855 5.579 11.363 286 H TRP 63 H TRP 63 7.576 5.321 4.627 287 HA TRP 63 HA TRP 63 6.312 2.950 3.741 288 HB2 TRP 63 HB2 TRP 63 5.850 5.887 3.263 289 HB3 TRP 63 HB3 TRP 63 4.962 4.682 2.300 290 HD1 TRP 63 HD1 TRP 63 4.961 6.439 5.431 291 HE1 TRP 63 HE1 TRP 63 2.974 5.558 7.040 292 HE3 TRP 63 HE3 TRP 63 3.741 2.232 2.852 293 HZ2 TRP 63 HZ2 TRP 63 1.265 3.388 7.044 294 HZ3 TRP 63 HZ3 TRP 63 1.971 0.791 3.648 295 HH2 TRP 63 HH2 TRP 63 0.716 1.304 5.696 296 H ALA 64 H ALA 64 8.459 5.262 2.186 297 HA ALA 64 HA ALA 64 8.081 4.352 -0.467 298 HB1 ALA 64 HB1 ALA 64 9.007 6.473 -0.327 299 HB2 ALA 64 HB2 ALA 64 10.182 5.989 0.895 300 HB3 ALA 64 HB3 ALA 64 10.389 5.475 -0.779 301 H SER 65 H SER 65 10.040 3.239 2.179 302 HA SER 65 HA SER 65 11.779 1.638 0.520 303 HB2 SER 65 HB2 SER 65 12.767 0.884 2.593 304 HB3 SER 65 HB3 SER 65 12.590 2.654 2.592 305 HG SER 65 HG SER 65 11.926 1.695 4.563 306 H ARG 66 H ARG 66 8.972 1.131 2.590 307 HA ARG 66 HA ARG 66 9.199 -1.743 2.455 308 HB2 ARG 66 HB2 ARG 66 7.370 -1.916 3.859 309 HB3 ARG 66 HB3 ARG 66 8.479 -0.670 4.476 310 HG2 ARG 66 HG2 ARG 66 7.012 1.088 3.844 311 HG3 ARG 66 HG3 ARG 66 6.009 -0.006 2.861 312 HD2 ARG 66 HD2 ARG 66 4.918 0.646 4.911 313 HD3 ARG 66 HD3 ARG 66 5.226 -1.104 4.846 314 HE ARG 66 HE ARG 66 6.766 -0.792 6.773 315 HH11 ARG 66 HH11 ARG 66 5.625 2.283 5.589 316 HH12 ARG 66 HH12 ARG 66 6.185 3.062 7.056 317 HH21 ARG 66 HH21 ARG 66 7.420 0.088 8.454 318 HH22 ARG 66 HH22 ARG 66 7.211 1.812 8.690 319 H THR 67 H THR 67 7.604 0.752 0.699 320 HA THR 67 HA THR 67 5.610 -1.085 -0.399 321 HB THR 67 HB THR 67 4.585 0.914 -1.427 322 HG1 THR 67 HG1 THR 67 5.490 2.972 -0.814 323 HG21 THR 67 HG21 THR 67 3.875 2.011 0.670 324 HG22 THR 67 HG22 THR 67 3.924 0.240 0.857 325 HG23 THR 67 HG23 THR 67 5.231 1.242 1.530 326 H ASN 68 H ASN 68 8.674 -0.609 -1.056 327 HA ASN 68 HA ASN 68 10.032 -0.622 -2.889 328 HB2 ASN 68 HB2 ASN 68 8.524 -2.886 -3.260 329 HB3 ASN 68 HB3 ASN 68 7.822 -1.639 -4.321 330 HD21 ASN 68 HD21 ASN 68 8.360 -3.359 -5.903 331 HD22 ASN 68 HD22 ASN 68 9.929 -3.310 -6.634 332 H ASN 69 H ASN 69 9.169 1.827 -2.690 333 HA ASN 69 HA ASN 69 8.764 3.773 -3.793 334 HB2 ASN 69 HB2 ASN 69 10.282 2.491 -5.734 335 HB3 ASN 69 HB3 ASN 69 8.575 2.390 -6.226 336 HD21 ASN 69 HD21 ASN 69 9.462 3.551 -8.097 337 HD22 ASN 69 HD22 ASN 69 9.523 5.282 -8.029 338 H PHE 70 H PHE 70 6.571 2.353 -2.833 339 HA PHE 70 HA PHE 70 4.320 2.049 -3.022 340 HB2 PHE 70 HB2 PHE 70 4.599 4.449 -4.866 341 HB3 PHE 70 HB3 PHE 70 3.079 3.874 -4.146 342 HD1 PHE 70 HD1 PHE 70 2.781 3.961 -1.684 343 HD2 PHE 70 HD2 PHE 70 6.072 5.817 -3.679 344 HE1 PHE 70 HE1 PHE 70 3.177 5.384 0.297 345 HE2 PHE 70 HE2 PHE 70 6.472 7.240 -1.698 346 HZ PHE 70 HZ PHE 70 5.024 7.024 0.290 347 H LYS 71 H LYS 71 5.945 0.479 -4.788 348 HA LYS 71 HA LYS 71 4.257 0.195 -7.157 349 HB2 LYS 71 HB2 LYS 71 6.763 -1.226 -6.289 350 HB3 LYS 71 HB3 LYS 71 5.851 -1.611 -7.768 351 HG2 LYS 71 HG2 LYS 71 7.019 1.127 -7.185 352 HG3 LYS 71 HG3 LYS 71 7.890 -0.137 -8.088 353 HD2 LYS 71 HD2 LYS 71 5.153 0.927 -8.855 354 HD3 LYS 71 HD3 LYS 71 6.682 1.540 -9.529 355 HE2 LYS 71 HE2 LYS 71 5.766 -1.348 -9.664 356 HE3 LYS 71 HE3 LYS 71 5.549 -0.159 -10.969 357 HZ1 LYS 71 HZ1 LYS 71 7.509 -1.504 -11.308 358 HZ2 LYS 71 HZ2 LYS 71 7.939 0.071 -11.069 359 HZ3 LYS 71 HZ3 LYS 71 8.140 -1.032 -9.859 360 H LEU 72 H LEU 72 2.334 -0.625 -6.430 361 HA LEU 72 HA LEU 72 2.448 -3.312 -5.241 362 HB2 LEU 72 HB2 LEU 72 0.332 -1.300 -4.541 363 HB3 LEU 72 HB3 LEU 72 0.672 -2.842 -3.758 364 HG LEU 72 HG LEU 72 2.979 -1.657 -3.229 365 HD11 LEU 72 HD11 LEU 72 2.997 0.619 -3.165 366 HD12 LEU 72 HD12 LEU 72 1.247 0.743 -2.991 367 HD13 LEU 72 HD13 LEU 72 1.954 0.383 -4.566 368 HD21 LEU 72 HD21 LEU 72 0.397 -1.160 -1.754 369 HD22 LEU 72 HD22 LEU 72 2.010 -0.928 -1.080 370 HD23 LEU 72 HD23 LEU 72 1.476 -2.541 -1.557 371 H LEU 73 H LEU 73 0.759 -4.727 -5.819 372 HA LEU 73 HA LEU 73 -0.834 -3.873 -8.135 373 HB2 LEU 73 HB2 LEU 73 0.421 -6.567 -8.173 374 HB3 LEU 73 HB3 LEU 73 -0.065 -5.530 -9.514 375 HG LEU 73 HG LEU 73 1.956 -4.060 -8.619 376 HD11 LEU 73 HD11 LEU 73 3.467 -6.454 -8.203 377 HD12 LEU 73 HD12 LEU 73 2.165 -6.358 -7.018 378 HD13 LEU 73 HD13 LEU 73 3.317 -5.032 -7.168 379 HD21 LEU 73 HD21 LEU 73 1.782 -4.897 -10.871 380 HD22 LEU 73 HD22 LEU 73 2.194 -6.527 -10.337 381 HD23 LEU 73 HD23 LEU 73 3.396 -5.238 -10.249 382 H THR 74 H THR 74 -2.750 -5.021 -8.483 383 HA THR 74 HA THR 74 -3.418 -7.413 -7.132 384 HB THR 74 HB THR 74 -3.570 -5.899 -5.173 385 HG1 THR 74 HG1 THR 74 -4.973 -7.733 -5.368 386 HG21 THR 74 HG21 THR 74 -5.401 -4.242 -5.094 387 HG22 THR 74 HG22 THR 74 -4.231 -3.845 -6.377 388 HG23 THR 74 HG23 THR 74 -5.791 -4.591 -6.795 389 H ASP 75 H ASP 75 -5.609 -8.134 -7.605 390 HA ASP 75 HA ASP 75 -7.155 -6.404 -9.399 391 HB2 ASP 75 HB2 ASP 75 -5.885 -8.118 -10.825 392 HB3 ASP 75 HB3 ASP 75 -6.709 -9.289 -9.765 393 H GLY 76 H GLY 76 -8.960 -6.014 -8.294 394 HA2 GLY 76 HA2 GLY 76 -10.842 -6.337 -7.018 395 HA3 GLY 76 HA3 GLY 76 -10.873 -7.951 -7.713 396 H GLU 77 H GLU 77 -8.147 -6.909 -5.826 397 HA GLU 77 HA GLU 77 -9.063 -8.495 -3.542 398 HB2 GLU 77 HB2 GLU 77 -6.536 -9.002 -5.097 399 HB3 GLU 77 HB3 GLU 77 -6.886 -9.688 -3.492 400 HG2 GLU 77 HG2 GLU 77 -8.895 -10.890 -4.502 401 HG3 GLU 77 HG3 GLU 77 -8.427 -10.095 -6.021 402 H TRP 78 H TRP 78 -7.047 -8.520 -1.893 403 HA TRP 78 HA TRP 78 -6.594 -5.888 -1.038 404 HB2 TRP 78 HB2 TRP 78 -5.155 -6.818 0.619 405 HB3 TRP 78 HB3 TRP 78 -6.440 -7.994 0.357 406 HD1 TRP 78 HD1 TRP 78 -5.038 -9.176 -2.389 407 HE1 TRP 78 HE1 TRP 78 -3.057 -10.791 -2.092 408 HE3 TRP 78 HE3 TRP 78 -3.689 -7.936 2.384 409 HZ2 TRP 78 HZ2 TRP 78 -1.171 -11.453 -0.099 410 HZ3 TRP 78 HZ3 TRP 78 -1.786 -9.107 3.413 411 HH2 TRP 78 HH2 TRP 78 -0.555 -10.829 2.197 412 H VAL 79 H VAL 79 -4.645 -4.657 -0.971 413 HA VAL 79 HA VAL 79 -3.042 -4.957 -3.390 414 HB VAL 79 HB VAL 79 -3.164 -2.691 -1.379 415 HG11 VAL 79 HG11 VAL 79 -1.841 -1.434 -3.047 416 HG12 VAL 79 HG12 VAL 79 -0.944 -2.853 -2.455 417 HG13 VAL 79 HG13 VAL 79 -1.724 -2.895 -4.054 418 HG21 VAL 79 HG21 VAL 79 -4.305 -1.475 -3.164 419 HG22 VAL 79 HG22 VAL 79 -4.276 -2.938 -4.178 420 HG23 VAL 79 HG23 VAL 79 -5.207 -2.923 -2.660 421 H TRP 80 H TRP 80 -1.045 -5.749 -3.393 422 HA TRP 80 HA TRP 80 0.416 -5.882 -0.838 423 HB2 TRP 80 HB2 TRP 80 1.289 -8.047 -1.446 424 HB3 TRP 80 HB3 TRP 80 -0.468 -8.100 -1.564 425 HD1 TRP 80 HD1 TRP 80 2.682 -8.180 -3.737 426 HE1 TRP 80 HE1 TRP 80 2.040 -9.030 -6.081 427 HE3 TRP 80 HE3 TRP 80 -2.404 -8.249 -3.214 428 HZ2 TRP 80 HZ2 TRP 80 -0.311 -9.648 -7.518 429 HZ3 TRP 80 HZ3 TRP 80 -3.776 -8.982 -5.121 430 HH2 TRP 80 HH2 TRP 80 -2.749 -9.666 -7.227 431 H VAL 81 H VAL 81 2.783 -6.056 -1.087 432 HA VAL 81 HA VAL 81 3.634 -4.166 -3.149 433 HB VAL 81 HB VAL 81 5.094 -5.140 -0.673 434 HG11 VAL 81 HG11 VAL 81 6.656 -3.284 -1.152 435 HG12 VAL 81 HG12 VAL 81 6.638 -4.467 -2.483 436 HG13 VAL 81 HG13 VAL 81 5.766 -2.923 -2.650 437 HG21 VAL 81 HG21 VAL 81 4.634 -2.909 0.210 438 HG22 VAL 81 HG22 VAL 81 3.673 -2.534 -1.240 439 HG23 VAL 81 HG23 VAL 81 3.140 -3.815 -0.125 440 H GLU 82 H GLU 82 4.746 -4.776 -4.879 441 HA GLU 82 HA GLU 82 5.188 -7.410 -5.583 442 HB2 GLU 82 HB2 GLU 82 5.115 -5.571 -7.169 443 HB3 GLU 82 HB3 GLU 82 6.671 -4.973 -6.545 444 HG2 GLU 82 HG2 GLU 82 7.777 -7.104 -7.385 445 HG3 GLU 82 HG3 GLU 82 6.144 -7.586 -7.898 446 H GLY 83 H GLY 83 6.742 -8.886 -5.209 447 HA2 GLY 83 HA2 GLY 83 9.030 -9.523 -5.068 448 HA3 GLY 83 HA3 GLY 83 9.394 -7.948 -4.377 449 H TYR 84 H TYR 84 6.805 -8.566 -2.699 450 HA TYR 84 HA TYR 84 8.284 -10.014 -0.605 451 HB2 TYR 84 HB2 TYR 84 6.068 -7.984 -0.357 452 HB3 TYR 84 HB3 TYR 84 6.813 -8.865 1.000 453 HD1 TYR 84 HD1 TYR 84 9.333 -8.544 1.375 454 HD2 TYR 84 HD2 TYR 84 7.023 -5.972 -1.122 455 HE1 TYR 84 HE1 TYR 84 11.092 -6.816 1.545 456 HE2 TYR 84 HE2 TYR 84 8.776 -4.229 -0.962 457 HH TYR 84 HH TYR 84 10.799 -3.658 -0.101 458 H GLU 85 H GLU 85 6.630 -11.183 -2.764 459 HA GLU 85 HA GLU 85 4.245 -12.235 -1.749 460 HB2 GLU 85 HB2 GLU 85 6.268 -13.442 -3.620 461 HB3 GLU 85 HB3 GLU 85 4.667 -14.144 -3.281 462 HG2 GLU 85 HG2 GLU 85 3.611 -12.008 -4.222 463 HG3 GLU 85 HG3 GLU 85 5.288 -11.487 -4.500 464 H GLU 86 H GLU 86 7.564 -12.979 -1.038 465 HA GLU 86 HA GLU 86 7.154 -15.459 0.262 466 HB2 GLU 86 HB2 GLU 86 9.343 -14.685 -0.468 467 HB3 GLU 86 HB3 GLU 86 9.270 -13.366 0.725 468 HG2 GLU 86 HG2 GLU 86 9.287 -15.100 2.583 469 HG3 GLU 86 HG3 GLU 86 9.289 -16.304 1.274 470 H HIS 87 H HIS 87 7.103 -12.110 1.391 471 HA HIS 87 HA HIS 87 6.799 -12.786 4.147 472 HB2 HIS 87 HB2 HIS 87 6.413 -10.192 2.624 473 HB3 HIS 87 HB3 HIS 87 6.164 -10.327 4.381 474 HD1 HIS 87 HD1 HIS 87 8.211 -8.383 3.639 475 HD2 HIS 87 HD2 HIS 87 9.208 -12.453 4.098 476 HE1 HIS 87 HE1 HIS 87 10.630 -8.452 3.978 477 H ILE 88 H ILE 88 4.640 -12.465 1.477 478 HA ILE 88 HA ILE 88 2.248 -12.015 2.944 479 HB ILE 88 HB ILE 88 2.727 -13.129 0.170 480 HG12 ILE 88 HG12 ILE 88 1.571 -10.508 1.077 481 HG13 ILE 88 HG13 ILE 88 3.277 -10.770 0.646 482 HG21 ILE 88 HG21 ILE 88 0.296 -12.863 -0.187 483 HG22 ILE 88 HG22 ILE 88 0.629 -14.064 1.082 484 HG23 ILE 88 HG23 ILE 88 0.092 -12.428 1.525 485 HD11 ILE 88 HD11 ILE 88 2.028 -9.781 -1.232 486 HD12 ILE 88 HD12 ILE 88 2.603 -11.417 -1.633 487 HD13 ILE 88 HD13 ILE 88 0.896 -11.153 -1.203 488 H GLY 89 H GLY 89 0.685 -13.459 3.663 489 HA2 GLY 89 HA2 GLY 89 -0.079 -15.598 4.325 490 HA3 GLY 89 HA3 GLY 89 1.438 -16.286 3.763 491 H LYS 90 H LYS 90 2.712 -13.886 5.278 492 HA LYS 90 HA LYS 90 2.796 -15.256 7.871 493 HB2 LYS 90 HB2 LYS 90 4.661 -13.330 6.521 494 HB3 LYS 90 HB3 LYS 90 4.808 -13.766 8.241 495 HG2 LYS 90 HG2 LYS 90 6.308 -15.239 7.263 496 HG3 LYS 90 HG3 LYS 90 4.827 -16.223 7.336 497 HD2 LYS 90 HD2 LYS 90 4.320 -15.598 4.993 498 HD3 LYS 90 HD3 LYS 90 5.840 -14.674 4.928 499 HE2 LYS 90 HE2 LYS 90 6.061 -16.913 3.907 500 HE3 LYS 90 HE3 LYS 90 7.135 -16.690 5.308 501 HZ1 LYS 90 HZ1 LYS 90 6.043 -18.829 5.354 502 HZ2 LYS 90 HZ2 LYS 90 5.549 -17.913 6.635 503 HZ3 LYS 90 HZ3 LYS 90 4.554 -18.118 5.336 504 H GLN 91 H GLN 91 2.598 -14.103 9.822 505 HA GLN 91 HA GLN 91 0.913 -11.739 9.625 506 HB2 GLN 91 HB2 GLN 91 0.209 -13.527 11.089 507 HB3 GLN 91 HB3 GLN 91 1.744 -13.423 11.981 508 HG2 GLN 91 HG2 GLN 91 0.107 -12.050 13.423 509 HG3 GLN 91 HG3 GLN 91 1.239 -11.164 12.373 510 HE21 GLN 91 HE21 GLN 91 0.049 -9.302 12.176 511 HE22 GLN 91 HE22 GLN 91 -1.482 -9.226 11.368 512 H LEU 92 H LEU 92 1.926 -9.851 9.450 513 HA LEU 92 HA LEU 92 4.290 -9.375 11.144 514 HB2 LEU 92 HB2 LEU 92 3.611 -8.335 8.485 515 HB3 LEU 92 HB3 LEU 92 5.078 -7.777 9.322 516 HG LEU 92 HG LEU 92 4.512 -10.608 8.359 517 HD11 LEU 92 HD11 LEU 92 6.415 -10.172 6.785 518 HD12 LEU 92 HD12 LEU 92 5.083 -9.023 6.521 519 HD13 LEU 92 HD13 LEU 92 6.535 -8.513 7.414 520 HD21 LEU 92 HD21 LEU 92 6.828 -11.097 9.065 521 HD22 LEU 92 HD22 LEU 92 6.950 -9.454 9.742 522 HD23 LEU 92 HD23 LEU 92 5.785 -10.613 10.423 523 HA PRO 93 HA PRO 93 2.201 -5.859 12.835 524 HB2 PRO 93 HB2 PRO 93 4.289 -4.236 13.452 525 HB3 PRO 93 HB3 PRO 93 3.924 -5.708 14.364 526 HG2 PRO 93 HG2 PRO 93 5.960 -5.294 12.149 527 HG3 PRO 93 HG3 PRO 93 6.159 -6.122 13.699 528 HD2 PRO 93 HD2 PRO 93 5.689 -7.520 11.390 529 HD3 PRO 93 HD3 PRO 93 5.060 -8.085 12.943 530 H LEU 94 H LEU 94 1.654 -3.667 12.395 531 HA LEU 94 HA LEU 94 1.482 -2.898 9.742 532 HB2 LEU 94 HB2 LEU 94 0.133 -2.111 11.431 533 HB3 LEU 94 HB3 LEU 94 1.383 -1.137 12.238 534 HG LEU 94 HG LEU 94 1.585 0.212 10.123 535 HD11 LEU 94 HD11 LEU 94 -0.324 0.077 8.500 536 HD12 LEU 94 HD12 LEU 94 0.570 -1.459 8.577 537 HD13 LEU 94 HD13 LEU 94 -0.988 -1.293 9.420 538 HD21 LEU 94 HD21 LEU 94 -0.462 1.537 10.518 539 HD22 LEU 94 HD22 LEU 94 -1.125 0.194 11.482 540 HD23 LEU 94 HD23 LEU 94 0.339 1.045 12.029 541 H ASN 95 H ASN 95 4.024 -2.304 12.078 542 HA ASN 95 HA ASN 95 5.481 -0.401 10.580 543 HB2 ASN 95 HB2 ASN 95 6.600 -2.266 12.789 544 HB3 ASN 95 HB3 ASN 95 7.305 -1.056 11.691 545 HD21 ASN 95 HD21 ASN 95 6.994 -1.162 14.642 546 HD22 ASN 95 HD22 ASN 95 6.196 0.316 15.065 547 H GLN 96 H GLN 96 5.326 -3.897 10.513 548 HA GLN 96 HA GLN 96 7.335 -3.909 8.357 549 HB2 GLN 96 HB2 GLN 96 6.675 -6.073 10.346 550 HB3 GLN 96 HB3 GLN 96 7.796 -6.250 8.975 551 HG2 GLN 96 HG2 GLN 96 8.373 -4.389 11.445 552 HG3 GLN 96 HG3 GLN 96 8.861 -6.014 10.911 553 HE21 GLN 96 HE21 GLN 96 9.769 -2.836 11.012 554 HE22 GLN 96 HE22 GLN 96 10.872 -2.801 9.677 555 H ALA 97 H ALA 97 4.341 -3.606 8.315 556 HA ALA 97 HA ALA 97 3.330 -5.954 7.036 557 HB1 ALA 97 HB1 ALA 97 2.313 -3.120 7.120 558 HB2 ALA 97 HB2 ALA 97 1.447 -4.460 6.370 559 HB3 ALA 97 HB3 ALA 97 1.775 -4.482 8.103 560 H ARG 98 H ARG 98 3.066 -6.380 4.866 561 HA ARG 98 HA ARG 98 4.259 -4.477 2.968 562 HB2 ARG 98 HB2 ARG 98 4.758 -7.408 2.953 563 HB3 ARG 98 HB3 ARG 98 5.229 -6.252 1.685 564 HG2 ARG 98 HG2 ARG 98 6.174 -6.133 4.564 565 HG3 ARG 98 HG3 ARG 98 7.090 -6.882 3.233 566 HD2 ARG 98 HD2 ARG 98 7.116 -4.712 2.095 567 HD3 ARG 98 HD3 ARG 98 6.320 -3.997 3.516 568 HE ARG 98 HE ARG 98 9.208 -4.730 3.417 569 HH11 ARG 98 HH11 ARG 98 6.504 -3.813 5.420 570 HH12 ARG 98 HH12 ARG 98 7.605 -3.351 6.704 571 HH21 ARG 98 HH21 ARG 98 10.481 -4.198 4.875 572 HH22 ARG 98 HH22 ARG 98 9.873 -3.569 6.394 573 H ALA 99 H ALA 99 1.470 -5.137 3.741 574 HA ALA 99 HA ALA 99 0.350 -4.987 1.164 575 HB1 ALA 99 HB1 ALA 99 -0.976 -7.171 1.340 576 HB2 ALA 99 HB2 ALA 99 0.709 -7.270 0.826 577 HB3 ALA 99 HB3 ALA 99 0.268 -7.679 2.484 578 H TRP 100 H TRP 100 -1.980 -4.777 1.202 579 HA TRP 100 HA TRP 100 -3.247 -4.552 3.803 580 HB2 TRP 100 HB2 TRP 100 -2.821 -2.104 2.049 581 HB3 TRP 100 HB3 TRP 100 -3.833 -2.159 3.512 582 HD1 TRP 100 HD1 TRP 100 -2.719 -2.017 5.706 583 HE1 TRP 100 HE1 TRP 100 -0.217 -1.446 6.551 584 HE3 TRP 100 HE3 TRP 100 -0.312 -2.519 1.258 585 HZ2 TRP 100 HZ2 TRP 100 2.272 -1.289 5.361 586 HZ3 TRP 100 HZ3 TRP 100 2.075 -2.164 1.122 587 HH2 TRP 100 HH2 TRP 100 3.401 -1.561 3.101 588 H SER 101 H SER 101 -5.550 -4.033 3.641 589 HA SER 101 HA SER 101 -6.656 -5.189 1.194 590 HB2 SER 101 HB2 SER 101 -7.338 -6.290 3.190 591 HB3 SER 101 HB3 SER 101 -7.817 -4.749 3.937 592 HG SER 101 HG SER 101 -9.595 -5.937 3.107 593 H TRP 102 H TRP 102 -8.213 -4.181 -0.053 594 HA TRP 102 HA TRP 102 -8.423 -1.417 -0.215 595 HB2 TRP 102 HB2 TRP 102 -10.047 -3.707 -1.207 596 HB3 TRP 102 HB3 TRP 102 -10.782 -2.107 -1.261 597 HD1 TRP 102 HD1 TRP 102 -8.812 -4.323 -3.352 598 HE1 TRP 102 HE1 TRP 102 -7.635 -3.039 -5.245 599 HE3 TRP 102 HE3 TRP 102 -9.378 0.438 -1.576 600 HZ2 TRP 102 HZ2 TRP 102 -7.026 -0.362 -5.901 601 HZ3 TRP 102 HZ3 TRP 102 -8.468 2.304 -2.897 602 HH2 TRP 102 HH2 TRP 102 -7.316 1.911 -5.014 603 H GLU 103 H GLU 103 -10.158 -3.694 1.800 604 HA GLU 103 HA GLU 103 -12.131 -1.933 2.780 605 HB2 GLU 103 HB2 GLU 103 -10.812 -4.341 4.005 606 HB3 GLU 103 HB3 GLU 103 -12.158 -3.460 4.767 607 HG2 GLU 103 HG2 GLU 103 -12.292 -4.970 2.087 608 HG3 GLU 103 HG3 GLU 103 -12.946 -5.402 3.683 609 H PHE 104 H PHE 104 -8.754 -2.338 3.507 610 HA PHE 104 HA PHE 104 -8.847 -0.676 5.869 611 HB2 PHE 104 HB2 PHE 104 -7.165 -2.470 5.720 612 HB3 PHE 104 HB3 PHE 104 -6.460 -1.692 4.284 613 HD1 PHE 104 HD1 PHE 104 -7.100 -1.247 7.907 614 HD2 PHE 104 HD2 PHE 104 -4.864 -0.023 4.480 615 HE1 PHE 104 HE1 PHE 104 -5.592 0.066 9.362 616 HE2 PHE 104 HE2 PHE 104 -3.353 1.290 5.931 617 HZ PHE 104 HZ PHE 104 -3.719 1.335 8.374 618 H ILE 105 H ILE 105 -7.809 -0.353 2.500 619 HA ILE 105 HA ILE 105 -6.784 2.248 2.649 620 HB ILE 105 HB ILE 105 -8.045 0.748 0.341 621 HG12 ILE 105 HG12 ILE 105 -5.182 1.489 0.866 622 HG13 ILE 105 HG13 ILE 105 -5.924 -0.054 1.351 623 HG21 ILE 105 HG21 ILE 105 -7.095 2.501 -1.118 624 HG22 ILE 105 HG22 ILE 105 -8.316 3.179 -0.017 625 HG23 ILE 105 HG23 ILE 105 -6.585 3.421 0.317 626 HD11 ILE 105 HD11 ILE 105 -4.685 -0.290 -0.764 627 HD12 ILE 105 HD12 ILE 105 -6.428 -0.555 -1.007 628 HD13 ILE 105 HD13 ILE 105 -5.685 0.987 -1.493 629 H LYS 106 H LYS 106 -10.064 1.097 1.943 630 HA LYS 106 HA LYS 106 -11.145 3.680 1.462 631 HB2 LYS 106 HB2 LYS 106 -12.398 1.030 2.113 632 HB3 LYS 106 HB3 LYS 106 -13.351 2.507 1.838 633 HG2 LYS 106 HG2 LYS 106 -12.515 2.681 -0.433 634 HG3 LYS 106 HG3 LYS 106 -11.416 1.307 -0.171 635 HD2 LYS 106 HD2 LYS 106 -13.319 0.491 -1.389 636 HD3 LYS 106 HD3 LYS 106 -13.431 -0.124 0.278 637 HE2 LYS 106 HE2 LYS 106 -15.022 1.639 0.844 638 HE3 LYS 106 HE3 LYS 106 -14.879 2.318 -0.793 639 HZ1 LYS 106 HZ1 LYS 106 -16.839 0.948 -0.568 640 HZ2 LYS 106 HZ2 LYS 106 -15.796 0.271 -1.652 641 HZ3 LYS 106 HZ3 LYS 106 -15.931 -0.358 -0.132 642 H ASN 107 H ASN 107 -10.984 1.590 4.305 643 HA ASN 107 HA ASN 107 -12.659 2.986 6.018 644 HB2 ASN 107 HB2 ASN 107 -11.415 0.674 6.600 645 HB3 ASN 107 HB3 ASN 107 -10.133 1.902 6.723 646 HD21 ASN 107 HD21 ASN 107 -9.631 2.098 8.762 647 HD22 ASN 107 HD22 ASN 107 -10.743 2.314 10.073 648 H ARG 108 H ARG 108 -9.255 3.549 5.250 649 HA ARG 108 HA ARG 108 -9.031 5.797 7.027 650 HB2 ARG 108 HB2 ARG 108 -7.216 4.704 4.955 651 HB3 ARG 108 HB3 ARG 108 -6.905 6.232 5.811 652 HG2 ARG 108 HG2 ARG 108 -6.922 5.040 7.956 653 HG3 ARG 108 HG3 ARG 108 -7.250 3.509 7.107 654 HD2 ARG 108 HD2 ARG 108 -4.973 3.566 7.689 655 HD3 ARG 108 HD3 ARG 108 -5.101 3.788 5.928 656 HE ARG 108 HE ARG 108 -4.055 5.990 6.255 657 HH11 ARG 108 HH11 ARG 108 -5.174 4.786 9.330 658 HH12 ARG 108 HH12 ARG 108 -4.314 6.072 10.153 659 HH21 ARG 108 HH21 ARG 108 -3.070 7.473 7.183 660 HH22 ARG 108 HH22 ARG 108 -3.114 7.606 8.930 661 H LEU 109 H LEU 109 -9.750 5.286 3.634 662 HA LEU 109 HA LEU 109 -9.452 8.006 2.842 663 HB2 LEU 109 HB2 LEU 109 -9.227 6.228 1.394 664 HB3 LEU 109 HB3 LEU 109 -10.923 5.700 1.481 665 HG LEU 109 HG LEU 109 -11.603 7.915 0.539 666 HD11 LEU 109 HD11 LEU 109 -9.830 9.303 -0.568 667 HD12 LEU 109 HD12 LEU 109 -9.560 9.190 1.187 668 HD13 LEU 109 HD13 LEU 109 -8.590 8.200 0.072 669 HD21 LEU 109 HD21 LEU 109 -10.923 7.416 -1.783 670 HD22 LEU 109 HD22 LEU 109 -9.706 6.274 -1.164 671 HD23 LEU 109 HD23 LEU 109 -11.438 5.965 -0.893 672 H LYS 110 H LYS 110 -12.154 6.038 3.955 673 HA LYS 110 HA LYS 110 -14.220 7.891 3.532 674 HB2 LYS 110 HB2 LYS 110 -13.848 5.721 5.576 675 HB3 LYS 110 HB3 LYS 110 -15.327 6.706 5.468 676 HG2 LYS 110 HG2 LYS 110 -15.692 5.919 3.167 677 HG3 LYS 110 HG3 LYS 110 -14.209 4.940 3.265 678 HD2 LYS 110 HD2 LYS 110 -15.184 3.651 5.126 679 HD3 LYS 110 HD3 LYS 110 -16.670 4.623 5.016 680 HE2 LYS 110 HE2 LYS 110 -17.035 3.829 2.727 681 HE3 LYS 110 HE3 LYS 110 -15.535 2.877 2.810 682 HZ1 LYS 110 HZ1 LYS 110 -17.472 1.524 3.236 683 HZ2 LYS 110 HZ2 LYS 110 -16.523 1.595 4.585 684 HZ3 LYS 110 HZ3 LYS 110 -17.914 2.478 4.508 685 H GLU 111 H GLU 111 -11.860 7.564 6.119 686 HA GLU 111 HA GLU 111 -13.011 9.499 7.849 687 HB2 GLU 111 HB2 GLU 111 -10.224 8.402 7.599 688 HB3 GLU 111 HB3 GLU 111 -10.703 9.582 8.843 689 HG2 GLU 111 HG2 GLU 111 -12.361 7.899 9.761 690 HG3 GLU 111 HG3 GLU 111 -11.865 6.862 8.403 691 H LEU 112 H LEU 112 -10.984 9.681 5.040 692 HA LEU 112 HA LEU 112 -10.157 12.401 5.480 693 HB2 LEU 112 HB2 LEU 112 -10.145 10.605 3.164 694 HB3 LEU 112 HB3 LEU 112 -9.366 12.198 3.030 695 HG LEU 112 HG LEU 112 -8.554 9.919 4.878 696 HD11 LEU 112 HD11 LEU 112 -6.454 9.920 3.506 697 HD12 LEU 112 HD12 LEU 112 -7.884 9.593 2.499 698 HD13 LEU 112 HD13 LEU 112 -7.138 11.209 2.487 699 HD21 LEU 112 HD21 LEU 112 -6.662 11.368 5.527 700 HD22 LEU 112 HD22 LEU 112 -7.356 12.685 4.551 701 HD23 LEU 112 HD23 LEU 112 -8.240 12.064 5.965 702 H ASN 113 H ASN 113 -12.812 10.770 3.929 703 HA ASN 113 HA ASN 113 -13.727 13.157 2.564 704 HB2 ASN 113 HB2 ASN 113 -14.183 10.689 1.599 705 HB3 ASN 113 HB3 ASN 113 -15.131 10.750 3.104 706 HD21 ASN 113 HD21 ASN 113 -15.872 10.386 0.243 707 HD22 ASN 113 HD22 ASN 113 -17.091 11.579 -0.059 708 H LEU 114 H LEU 114 -14.312 14.699 4.014 709 HA LEU 114 HA LEU 114 -16.167 13.948 6.164 710 HB2 LEU 114 HB2 LEU 114 -14.545 16.345 5.684 711 HB3 LEU 114 HB3 LEU 114 -15.543 16.217 7.151 712 HG LEU 114 HG LEU 114 -13.138 14.505 6.411 713 HD11 LEU 114 HD11 LEU 114 -12.140 15.519 8.478 714 HD12 LEU 114 HD12 LEU 114 -12.572 16.770 7.287 715 HD13 LEU 114 HD13 LEU 114 -13.619 16.484 8.699 716 HD21 LEU 114 HD21 LEU 114 -13.466 13.408 8.600 717 HD22 LEU 114 HD22 LEU 114 -14.972 14.332 8.817 718 HD23 LEU 114 HD23 LEU 114 -14.835 13.153 7.492 Start of MODEL 10 1 H1 GLY 29 H1 GLY 29 -2.170 -11.879 -27.617 2 H2 GLY 29 H2 GLY 29 -3.256 -10.966 -27.129 3 H3 GLY 29 H3 GLY 29 -3.459 -12.452 -27.107 4 HA2 GLY 29 HA2 GLY 29 -4.177 -10.727 -29.228 5 HA3 GLY 29 HA3 GLY 29 -2.905 -11.796 -29.800 6 H SER 30 H SER 30 -5.995 -11.937 -28.030 7 HA SER 30 HA SER 30 -6.524 -14.573 -29.146 8 HB2 SER 30 HB2 SER 30 -8.453 -14.620 -27.697 9 HB3 SER 30 HB3 SER 30 -7.008 -14.130 -26.783 10 HG SER 30 HG SER 30 -7.729 -11.963 -27.011 11 H GLU 31 H GLU 31 -9.524 -13.852 -28.998 12 HA GLU 31 HA GLU 31 -9.844 -11.337 -30.231 13 HB2 GLU 31 HB2 GLU 31 -9.206 -12.587 -32.227 14 HB3 GLU 31 HB3 GLU 31 -10.553 -13.713 -31.941 15 HG2 GLU 31 HG2 GLU 31 -12.179 -11.790 -32.301 16 HG3 GLU 31 HG3 GLU 31 -10.728 -10.782 -32.503 17 H GLU 32 H GLU 32 -10.821 -12.117 -27.915 18 HA GLU 32 HA GLU 32 -13.690 -12.170 -28.368 19 HB2 GLU 32 HB2 GLU 32 -13.072 -14.525 -28.211 20 HB3 GLU 32 HB3 GLU 32 -12.325 -14.211 -26.624 21 HG2 GLU 32 HG2 GLU 32 -14.609 -13.610 -25.704 22 HG3 GLU 32 HG3 GLU 32 -15.202 -13.866 -27.361 23 H LYS 33 H LYS 33 -11.808 -12.886 -25.453 24 HA LYS 33 HA LYS 33 -12.805 -10.370 -24.290 25 HB2 LYS 33 HB2 LYS 33 -12.703 -13.117 -23.078 26 HB3 LYS 33 HB3 LYS 33 -12.872 -11.636 -22.105 27 HG2 LYS 33 HG2 LYS 33 -14.965 -11.097 -23.277 28 HG3 LYS 33 HG3 LYS 33 -14.793 -12.567 -24.267 29 HD2 LYS 33 HD2 LYS 33 -14.913 -13.951 -22.236 30 HD3 LYS 33 HD3 LYS 33 -15.080 -12.484 -21.244 31 HE2 LYS 33 HE2 LYS 33 -17.163 -11.925 -22.447 32 HE3 LYS 33 HE3 LYS 33 -17.003 -13.421 -23.395 33 HZ1 LYS 33 HZ1 LYS 33 -18.504 -13.697 -21.541 34 HZ2 LYS 33 HZ2 LYS 33 -17.181 -14.661 -21.344 35 HZ3 LYS 33 HZ3 LYS 33 -17.328 -13.272 -20.466 36 H GLU 34 H GLU 34 -11.585 -10.028 -22.064 37 HA GLU 34 HA GLU 34 -8.769 -9.919 -22.850 38 HB2 GLU 34 HB2 GLU 34 -10.303 -8.436 -20.726 39 HB3 GLU 34 HB3 GLU 34 -8.563 -8.241 -21.050 40 HG2 GLU 34 HG2 GLU 34 -9.163 -7.425 -23.401 41 HG3 GLU 34 HG3 GLU 34 -10.849 -7.674 -22.891 42 H GLU 35 H GLU 35 -7.127 -10.130 -21.096 43 HA GLU 35 HA GLU 35 -7.619 -12.670 -19.787 44 HB2 GLU 35 HB2 GLU 35 -5.120 -11.021 -20.088 45 HB3 GLU 35 HB3 GLU 35 -5.198 -12.611 -19.291 46 HG2 GLU 35 HG2 GLU 35 -5.944 -13.622 -21.515 47 HG3 GLU 35 HG3 GLU 35 -5.826 -11.962 -22.141 48 H LYS 36 H LYS 36 -7.506 -13.065 -17.605 49 HA LYS 36 HA LYS 36 -8.160 -10.930 -15.844 50 HB2 LYS 36 HB2 LYS 36 -7.437 -13.805 -15.353 51 HB3 LYS 36 HB3 LYS 36 -7.904 -12.672 -14.062 52 HG2 LYS 36 HG2 LYS 36 -10.089 -12.333 -15.185 53 HG3 LYS 36 HG3 LYS 36 -9.621 -13.529 -16.417 54 HD2 LYS 36 HD2 LYS 36 -9.392 -15.242 -14.650 55 HD3 LYS 36 HD3 LYS 36 -9.900 -14.043 -13.436 56 HE2 LYS 36 HE2 LYS 36 -12.056 -13.790 -14.588 57 HE3 LYS 36 HE3 LYS 36 -11.550 -14.988 -15.801 58 HZ1 LYS 36 HZ1 LYS 36 -12.933 -15.972 -14.103 59 HZ2 LYS 36 HZ2 LYS 36 -11.417 -16.617 -14.039 60 HZ3 LYS 36 HZ3 LYS 36 -11.887 -15.505 -12.916 61 H LYS 37 H LYS 37 -6.276 -9.565 -16.289 62 HA LYS 37 HA LYS 37 -3.845 -10.429 -14.881 63 HB2 LYS 37 HB2 LYS 37 -3.619 -9.714 -17.226 64 HB3 LYS 37 HB3 LYS 37 -4.225 -8.107 -16.760 65 HG2 LYS 37 HG2 LYS 37 -2.288 -7.762 -15.315 66 HG3 LYS 37 HG3 LYS 37 -1.697 -9.401 -15.681 67 HD2 LYS 37 HD2 LYS 37 -1.462 -8.792 -18.054 68 HD3 LYS 37 HD3 LYS 37 -2.063 -7.155 -17.695 69 HE2 LYS 37 HE2 LYS 37 -0.153 -6.815 -16.158 70 HE3 LYS 37 HE3 LYS 37 0.460 -8.428 -16.589 71 HZ1 LYS 37 HZ1 LYS 37 1.546 -6.697 -17.850 72 HZ2 LYS 37 HZ2 LYS 37 0.675 -7.669 -18.858 73 HZ3 LYS 37 HZ3 LYS 37 0.106 -6.173 -18.459 74 H VAL 38 H VAL 38 -2.743 -8.842 -13.529 75 HA VAL 38 HA VAL 38 -4.602 -7.640 -11.710 76 HB VAL 38 HB VAL 38 -2.649 -7.047 -10.357 77 HG11 VAL 38 HG11 VAL 38 -1.737 -9.319 -10.017 78 HG12 VAL 38 HG12 VAL 38 -3.501 -9.364 -10.243 79 HG13 VAL 38 HG13 VAL 38 -2.422 -9.827 -11.579 80 HG21 VAL 38 HG21 VAL 38 -0.384 -7.569 -11.109 81 HG22 VAL 38 HG22 VAL 38 -1.021 -8.014 -12.710 82 HG23 VAL 38 HG23 VAL 38 -1.161 -6.337 -12.132 83 H ARG 39 H ARG 39 -4.145 -5.388 -10.844 84 HA ARG 39 HA ARG 39 -4.225 -3.552 -13.083 85 HB2 ARG 39 HB2 ARG 39 -4.641 -3.012 -10.190 86 HB3 ARG 39 HB3 ARG 39 -4.839 -1.851 -11.525 87 HG2 ARG 39 HG2 ARG 39 -6.431 -4.409 -11.165 88 HG3 ARG 39 HG3 ARG 39 -6.995 -2.777 -10.731 89 HD2 ARG 39 HD2 ARG 39 -6.292 -3.749 -13.482 90 HD3 ARG 39 HD3 ARG 39 -7.927 -3.525 -12.820 91 HE ARG 39 HE ARG 39 -6.214 -1.301 -13.816 92 HH11 ARG 39 HH11 ARG 39 -9.045 -2.186 -11.983 93 HH12 ARG 39 HH12 ARG 39 -9.668 -0.556 -12.148 94 HH21 ARG 39 HH21 ARG 39 -6.918 0.567 -14.022 95 HH22 ARG 39 HH22 ARG 39 -8.457 1.015 -13.312 96 H GLU 40 H GLU 40 -2.901 -1.628 -13.215 97 HA GLU 40 HA GLU 40 -0.169 -2.526 -12.670 98 HB2 GLU 40 HB2 GLU 40 0.520 -1.259 -14.553 99 HB3 GLU 40 HB3 GLU 40 -0.891 -2.248 -15.000 100 HG2 GLU 40 HG2 GLU 40 -2.324 -0.102 -14.663 101 HG3 GLU 40 HG3 GLU 40 -0.743 0.679 -14.438 102 H LEU 41 H LEU 41 1.410 -0.470 -12.833 103 HA LEU 41 HA LEU 41 0.678 1.131 -10.504 104 HB2 LEU 41 HB2 LEU 41 3.246 0.403 -11.842 105 HB3 LEU 41 HB3 LEU 41 3.181 1.829 -10.809 106 HG LEU 41 HG LEU 41 4.024 0.038 -9.498 107 HD11 LEU 41 HD11 LEU 41 2.783 0.559 -7.728 108 HD12 LEU 41 HD12 LEU 41 1.360 -0.237 -8.400 109 HD13 LEU 41 HD13 LEU 41 1.725 1.433 -8.836 110 HD21 LEU 41 HD21 LEU 41 2.671 -1.621 -11.162 111 HD22 LEU 41 HD22 LEU 41 1.676 -1.715 -9.709 112 HD23 LEU 41 HD23 LEU 41 3.392 -2.114 -9.631 113 H THR 42 H THR 42 -0.747 2.595 -11.538 114 HA THR 42 HA THR 42 0.574 4.570 -13.268 115 HB THR 42 HB THR 42 -1.643 5.463 -13.764 116 HG1 THR 42 HG1 THR 42 -3.479 4.336 -12.873 117 HG21 THR 42 HG21 THR 42 -2.593 3.506 -14.933 118 HG22 THR 42 HG22 THR 42 -0.823 3.565 -15.118 119 HG23 THR 42 HG23 THR 42 -1.560 2.426 -13.966 120 HA PRO 43 HA PRO 43 0.799 7.731 -10.154 121 HB2 PRO 43 HB2 PRO 43 -0.131 9.912 -11.547 122 HB3 PRO 43 HB3 PRO 43 1.508 9.265 -11.708 123 HG2 PRO 43 HG2 PRO 43 -0.925 8.747 -13.450 124 HG3 PRO 43 HG3 PRO 43 0.733 9.116 -13.942 125 HD2 PRO 43 HD2 PRO 43 -0.152 6.554 -13.977 126 HD3 PRO 43 HD3 PRO 43 1.505 6.903 -13.469 127 H GLN 44 H GLN 44 -2.202 7.265 -11.941 128 HA GLN 44 HA GLN 44 -3.888 8.625 -10.108 129 HB2 GLN 44 HB2 GLN 44 -4.523 8.097 -12.417 130 HB3 GLN 44 HB3 GLN 44 -4.536 6.368 -11.999 131 HG2 GLN 44 HG2 GLN 44 -7.009 7.119 -11.797 132 HG3 GLN 44 HG3 GLN 44 -6.059 6.853 -10.315 133 HE21 GLN 44 HE21 GLN 44 -7.493 8.144 -9.106 134 HE22 GLN 44 HE22 GLN 44 -7.494 9.871 -9.239 135 H GLU 45 H GLU 45 -2.987 5.210 -10.485 136 HA GLU 45 HA GLU 45 -4.480 4.292 -8.254 137 HB2 GLU 45 HB2 GLU 45 -2.177 3.161 -9.804 138 HB3 GLU 45 HB3 GLU 45 -2.862 2.329 -8.388 139 HG2 GLU 45 HG2 GLU 45 -4.360 2.962 -11.002 140 HG3 GLU 45 HG3 GLU 45 -3.735 1.418 -10.378 141 H LEU 46 H LEU 46 -1.322 5.707 -8.629 142 HA LEU 46 HA LEU 46 -0.311 4.843 -6.094 143 HB2 LEU 46 HB2 LEU 46 0.469 6.853 -8.070 144 HB3 LEU 46 HB3 LEU 46 1.497 6.655 -6.632 145 HG LEU 46 HG LEU 46 0.910 4.537 -8.738 146 HD11 LEU 46 HD11 LEU 46 3.353 4.765 -9.269 147 HD12 LEU 46 HD12 LEU 46 2.493 6.302 -9.513 148 HD13 LEU 46 HD13 LEU 46 3.481 6.057 -8.055 149 HD21 LEU 46 HD21 LEU 46 2.567 3.163 -7.524 150 HD22 LEU 46 HD22 LEU 46 2.673 4.427 -6.274 151 HD23 LEU 46 HD23 LEU 46 1.143 3.556 -6.533 152 H GLU 47 H GLU 47 -1.847 7.764 -7.334 153 HA GLU 47 HA GLU 47 -1.280 9.417 -5.121 154 HB2 GLU 47 HB2 GLU 47 -3.257 9.501 -7.354 155 HB3 GLU 47 HB3 GLU 47 -3.389 10.654 -6.003 156 HG2 GLU 47 HG2 GLU 47 -0.959 10.381 -7.873 157 HG3 GLU 47 HG3 GLU 47 -2.247 11.606 -7.855 158 H LEU 48 H LEU 48 -4.078 7.392 -5.914 159 HA LEU 48 HA LEU 48 -5.706 8.305 -3.792 160 HB2 LEU 48 HB2 LEU 48 -7.208 6.604 -4.389 161 HB3 LEU 48 HB3 LEU 48 -6.435 7.101 -5.892 162 HG LEU 48 HG LEU 48 -4.857 5.057 -5.373 163 HD11 LEU 48 HD11 LEU 48 -6.531 4.852 -3.213 164 HD12 LEU 48 HD12 LEU 48 -5.530 3.554 -3.866 165 HD13 LEU 48 HD13 LEU 48 -7.222 3.692 -4.346 166 HD21 LEU 48 HD21 LEU 48 -6.353 5.368 -7.328 167 HD22 LEU 48 HD22 LEU 48 -7.667 4.652 -6.393 168 HD23 LEU 48 HD23 LEU 48 -6.239 3.693 -6.789 169 H PHE 49 H PHE 49 -3.341 5.732 -4.064 170 HA PHE 49 HA PHE 49 -3.957 4.433 -1.620 171 HB2 PHE 49 HB2 PHE 49 -2.644 3.322 -3.389 172 HB3 PHE 49 HB3 PHE 49 -1.325 4.489 -3.138 173 HD1 PHE 49 HD1 PHE 49 -3.189 1.681 -1.644 174 HD2 PHE 49 HD2 PHE 49 0.215 4.249 -1.380 175 HE1 PHE 49 HE1 PHE 49 -2.200 0.192 0.065 176 HE2 PHE 49 HE2 PHE 49 1.207 2.762 0.327 177 HZ PHE 49 HZ PHE 49 -0.002 0.733 1.050 178 H LYS 50 H LYS 50 -1.352 6.716 -2.468 179 HA LYS 50 HA LYS 50 -0.434 7.100 0.167 180 HB2 LYS 50 HB2 LYS 50 0.770 8.980 -0.651 181 HB3 LYS 50 HB3 LYS 50 0.850 7.660 -1.843 182 HG2 LYS 50 HG2 LYS 50 -0.798 8.763 -3.245 183 HG3 LYS 50 HG3 LYS 50 -1.035 10.033 -2.020 184 HD2 LYS 50 HD2 LYS 50 0.397 11.016 -3.612 185 HD3 LYS 50 HD3 LYS 50 1.473 10.515 -2.285 186 HE2 LYS 50 HE2 LYS 50 2.235 8.614 -3.484 187 HE3 LYS 50 HE3 LYS 50 0.942 8.770 -4.696 188 HZ1 LYS 50 HZ1 LYS 50 3.048 9.559 -5.536 189 HZ2 LYS 50 HZ2 LYS 50 1.974 10.808 -5.440 190 HZ3 LYS 50 HZ3 LYS 50 3.174 10.662 -4.317 191 H ARG 51 H ARG 51 -3.118 8.418 -1.586 192 HA ARG 51 HA ARG 51 -3.620 10.623 0.151 193 HB2 ARG 51 HB2 ARG 51 -4.431 10.598 -2.091 194 HB3 ARG 51 HB3 ARG 51 -5.510 9.243 -1.684 195 HG2 ARG 51 HG2 ARG 51 -6.745 10.637 -0.129 196 HG3 ARG 51 HG3 ARG 51 -5.616 11.987 -0.396 197 HD2 ARG 51 HD2 ARG 51 -6.342 12.143 -2.693 198 HD3 ARG 51 HD3 ARG 51 -7.464 10.786 -2.433 199 HE ARG 51 HE ARG 51 -8.174 12.961 -0.625 200 HH11 ARG 51 HH11 ARG 51 -8.264 12.172 -4.020 201 HH12 ARG 51 HH12 ARG 51 -9.675 13.192 -4.226 202 HH21 ARG 51 HH21 ARG 51 -9.784 14.140 -0.846 203 HH22 ARG 51 HH22 ARG 51 -10.542 14.316 -2.416 204 H ALA 52 H ALA 52 -4.769 7.282 -0.013 205 HA ALA 52 HA ALA 52 -6.568 7.566 2.202 206 HB1 ALA 52 HB1 ALA 52 -5.504 5.139 0.768 207 HB2 ALA 52 HB2 ALA 52 -6.702 5.076 2.062 208 HB3 ALA 52 HB3 ALA 52 -7.076 5.912 0.556 209 H MET 53 H MET 53 -3.255 6.475 1.763 210 HA MET 53 HA MET 53 -3.004 5.576 4.495 211 HB2 MET 53 HB2 MET 53 -1.034 5.926 2.253 212 HB3 MET 53 HB3 MET 53 -0.574 5.380 3.884 213 HG2 MET 53 HG2 MET 53 -2.557 3.975 2.067 214 HG3 MET 53 HG3 MET 53 -0.846 3.518 2.252 215 HE1 MET 53 HE1 MET 53 -2.962 0.694 4.129 216 HE2 MET 53 HE2 MET 53 -3.514 1.638 2.724 217 HE3 MET 53 HE3 MET 53 -1.844 1.021 2.784 218 H GLY 54 H GLY 54 -2.864 8.551 2.896 219 HA2 GLY 54 HA2 GLY 54 -2.506 10.662 3.727 220 HA3 GLY 54 HA3 GLY 54 -2.398 9.932 5.322 221 H ILE 55 H ILE 55 -0.356 9.432 2.458 222 HA ILE 55 HA ILE 55 1.956 9.104 3.995 223 HB ILE 55 HB ILE 55 1.684 9.790 1.055 224 HG12 ILE 55 HG12 ILE 55 0.624 7.726 1.731 225 HG13 ILE 55 HG13 ILE 55 2.024 7.470 0.664 226 HG21 ILE 55 HG21 ILE 55 4.009 8.971 0.855 227 HG22 ILE 55 HG22 ILE 55 3.923 10.402 1.908 228 HG23 ILE 55 HG23 ILE 55 4.094 8.781 2.622 229 HD11 ILE 55 HD11 ILE 55 1.964 5.795 2.468 230 HD12 ILE 55 HD12 ILE 55 3.396 6.843 2.612 231 HD13 ILE 55 HD13 ILE 55 1.995 7.097 3.679 232 H THR 56 H THR 56 3.451 10.461 4.782 233 HA THR 56 HA THR 56 3.333 13.286 3.946 234 HB THR 56 HB THR 56 4.087 13.937 6.195 235 HG1 THR 56 HG1 THR 56 4.084 12.280 7.828 236 HG21 THR 56 HG21 THR 56 2.008 13.404 7.416 237 HG22 THR 56 HG22 THR 56 1.663 13.838 5.726 238 HG23 THR 56 HG23 THR 56 1.635 12.132 6.229 239 HA PRO 57 HA PRO 57 7.580 13.134 2.836 240 HB2 PRO 57 HB2 PRO 57 8.469 15.601 3.604 241 HB3 PRO 57 HB3 PRO 57 7.452 15.333 2.183 242 HG2 PRO 57 HG2 PRO 57 6.629 16.191 4.980 243 HG3 PRO 57 HG3 PRO 57 6.134 16.866 3.422 244 HD2 PRO 57 HD2 PRO 57 4.514 15.127 4.740 245 HD3 PRO 57 HD3 PRO 57 4.621 15.075 2.975 246 H HIS 58 H HIS 58 6.636 13.589 6.121 247 HA HIS 58 HA HIS 58 9.228 13.552 7.295 248 HB2 HIS 58 HB2 HIS 58 6.473 12.982 8.431 249 HB3 HIS 58 HB3 HIS 58 7.956 12.941 9.413 250 HD1 HIS 58 HD1 HIS 58 9.422 15.329 9.101 251 HD2 HIS 58 HD2 HIS 58 5.253 15.503 8.508 252 HE1 HIS 58 HE1 HIS 58 8.786 17.661 9.463 253 H ASN 59 H ASN 59 6.741 11.048 6.830 254 HA ASN 59 HA ASN 59 8.800 9.015 7.378 255 HB2 ASN 59 HB2 ASN 59 5.753 8.515 7.666 256 HB3 ASN 59 HB3 ASN 59 7.246 7.546 7.724 257 HD21 ASN 59 HD21 ASN 59 5.151 9.677 9.388 258 HD22 ASN 59 HD22 ASN 59 6.013 9.728 10.891 259 H TYR 60 H TYR 60 8.215 10.468 4.826 260 HA TYR 60 HA TYR 60 6.927 8.738 3.012 261 HB2 TYR 60 HB2 TYR 60 7.288 11.068 2.511 262 HB3 TYR 60 HB3 TYR 60 9.051 10.825 2.556 263 HD1 TYR 60 HD1 TYR 60 5.958 9.966 0.672 264 HD2 TYR 60 HD2 TYR 60 10.221 10.048 0.637 265 HE1 TYR 60 HE1 TYR 60 5.941 9.428 -1.745 266 HE2 TYR 60 HE2 TYR 60 10.222 9.511 -1.776 267 HH TYR 60 HH TYR 60 8.956 9.077 -3.619 268 H TRP 61 H TRP 61 10.389 9.230 3.692 269 HA TRP 61 HA TRP 61 11.410 7.277 1.999 270 HB2 TRP 61 HB2 TRP 61 13.430 7.327 3.368 271 HB3 TRP 61 HB3 TRP 61 12.780 8.978 3.237 272 HD1 TRP 61 HD1 TRP 61 11.796 10.024 5.303 273 HE1 TRP 61 HE1 TRP 61 12.092 9.544 7.946 274 HE3 TRP 61 HE3 TRP 61 13.742 5.339 4.984 275 HZ2 TRP 61 HZ2 TRP 61 13.022 7.435 9.471 276 HZ3 TRP 61 HZ3 TRP 61 14.320 4.125 6.994 277 HH2 TRP 61 HH2 TRP 61 13.989 5.098 9.226 278 H GLN 62 H GLN 62 9.968 6.984 5.180 279 HA GLN 62 HA GLN 62 10.745 4.296 5.656 280 HB2 GLN 62 HB2 GLN 62 10.050 5.791 7.440 281 HB3 GLN 62 HB3 GLN 62 8.419 5.878 6.734 282 HG2 GLN 62 HG2 GLN 62 8.219 4.089 8.589 283 HG3 GLN 62 HG3 GLN 62 8.315 3.553 6.896 284 HE21 GLN 62 HE21 GLN 62 9.010 1.481 7.518 285 HE22 GLN 62 HE22 GLN 62 10.617 1.192 8.099 286 H TRP 63 H TRP 63 7.705 5.735 4.486 287 HA TRP 63 HA TRP 63 6.412 3.276 3.978 288 HB2 TRP 63 HB2 TRP 63 5.919 6.137 3.303 289 HB3 TRP 63 HB3 TRP 63 5.135 4.930 2.258 290 HD1 TRP 63 HD1 TRP 63 5.109 6.375 5.639 291 HE1 TRP 63 HE1 TRP 63 2.906 5.552 6.972 292 HE3 TRP 63 HE3 TRP 63 3.518 2.862 2.327 293 HZ2 TRP 63 HZ2 TRP 63 0.918 3.687 6.522 294 HZ3 TRP 63 HZ3 TRP 63 1.511 1.591 2.777 295 HH2 TRP 63 HH2 TRP 63 0.189 1.951 4.816 296 H ALA 64 H ALA 64 8.488 5.339 2.024 297 HA ALA 64 HA ALA 64 8.008 4.130 -0.470 298 HB1 ALA 64 HB1 ALA 64 10.297 5.732 0.622 299 HB2 ALA 64 HB2 ALA 64 10.319 5.081 -1.019 300 HB3 ALA 64 HB3 ALA 64 9.059 6.216 -0.536 301 H SER 65 H SER 65 10.015 3.214 2.222 302 HA SER 65 HA SER 65 11.629 1.358 0.743 303 HB2 SER 65 HB2 SER 65 12.505 2.441 2.726 304 HB3 SER 65 HB3 SER 65 11.224 1.701 3.712 305 HG SER 65 HG SER 65 13.206 0.557 3.823 306 H ARG 66 H ARG 66 8.883 1.090 2.983 307 HA ARG 66 HA ARG 66 9.063 -1.751 3.133 308 HB2 ARG 66 HB2 ARG 66 7.101 -1.639 4.514 309 HB3 ARG 66 HB3 ARG 66 8.147 -0.292 4.941 310 HG2 ARG 66 HG2 ARG 66 6.764 1.255 3.771 311 HG3 ARG 66 HG3 ARG 66 5.809 -0.052 3.066 312 HD2 ARG 66 HD2 ARG 66 4.498 0.781 4.828 313 HD3 ARG 66 HD3 ARG 66 5.224 -0.699 5.455 314 HE ARG 66 HE ARG 66 6.880 1.457 6.123 315 HH11 ARG 66 HH11 ARG 66 3.725 0.192 6.877 316 HH12 ARG 66 HH12 ARG 66 3.701 0.852 8.480 317 HH21 ARG 66 HH21 ARG 66 6.859 2.329 8.231 318 HH22 ARG 66 HH22 ARG 66 5.483 2.068 9.249 319 H THR 67 H THR 67 7.469 0.460 1.023 320 HA THR 67 HA THR 67 5.643 -1.581 0.011 321 HB THR 67 HB THR 67 4.687 0.199 -1.390 322 HG1 THR 67 HG1 THR 67 6.693 1.829 -0.161 323 HG21 THR 67 HG21 THR 67 3.811 1.625 0.428 324 HG22 THR 67 HG22 THR 67 3.857 -0.085 0.921 325 HG23 THR 67 HG23 THR 67 5.101 1.044 1.506 326 H ASN 68 H ASN 68 8.766 -1.045 -0.421 327 HA ASN 68 HA ASN 68 10.296 -1.393 -2.067 328 HB2 ASN 68 HB2 ASN 68 8.754 -3.647 -2.349 329 HB3 ASN 68 HB3 ASN 68 8.216 -2.513 -3.612 330 HD21 ASN 68 HD21 ASN 68 8.904 -4.587 -4.774 331 HD22 ASN 68 HD22 ASN 68 10.525 -4.596 -5.387 332 H ASN 69 H ASN 69 9.571 1.078 -2.251 333 HA ASN 69 HA ASN 69 9.376 2.895 -3.608 334 HB2 ASN 69 HB2 ASN 69 10.889 1.262 -5.297 335 HB3 ASN 69 HB3 ASN 69 9.210 1.280 -5.887 336 HD21 ASN 69 HD21 ASN 69 10.286 2.165 -7.798 337 HD22 ASN 69 HD22 ASN 69 10.531 3.878 -7.884 338 H PHE 70 H PHE 70 7.047 1.522 -2.676 339 HA PHE 70 HA PHE 70 4.788 1.455 -2.958 340 HB2 PHE 70 HB2 PHE 70 5.405 3.773 -4.822 341 HB3 PHE 70 HB3 PHE 70 3.788 3.359 -4.211 342 HD1 PHE 70 HD1 PHE 70 3.372 3.450 -1.739 343 HD2 PHE 70 HD2 PHE 70 6.860 5.087 -3.586 344 HE1 PHE 70 HE1 PHE 70 3.756 4.866 0.249 345 HE2 PHE 70 HE2 PHE 70 7.250 6.503 -1.597 346 HZ PHE 70 HZ PHE 70 5.698 6.393 0.321 347 H LYS 71 H LYS 71 6.180 -0.414 -4.499 348 HA LYS 71 HA LYS 71 4.768 -0.527 -7.045 349 HB2 LYS 71 HB2 LYS 71 6.781 -2.335 -5.738 350 HB3 LYS 71 HB3 LYS 71 5.961 -2.727 -7.268 351 HG2 LYS 71 HG2 LYS 71 7.652 -0.246 -6.818 352 HG3 LYS 71 HG3 LYS 71 8.263 -1.754 -7.542 353 HD2 LYS 71 HD2 LYS 71 5.959 -0.087 -8.615 354 HD3 LYS 71 HD3 LYS 71 7.623 -0.072 -9.249 355 HE2 LYS 71 HE2 LYS 71 5.896 -2.557 -9.085 356 HE3 LYS 71 HE3 LYS 71 5.997 -1.518 -10.525 357 HZ1 LYS 71 HZ1 LYS 71 7.503 -3.384 -10.665 358 HZ2 LYS 71 HZ2 LYS 71 8.355 -1.972 -10.607 359 HZ3 LYS 71 HZ3 LYS 71 8.260 -2.935 -9.271 360 H LEU 72 H LEU 72 2.622 -0.819 -6.534 361 HA LEU 72 HA LEU 72 1.958 -3.164 -4.881 362 HB2 LEU 72 HB2 LEU 72 0.401 -0.742 -5.451 363 HB3 LEU 72 HB3 LEU 72 -0.183 -1.978 -4.313 364 HG LEU 72 HG LEU 72 2.302 -0.262 -3.937 365 HD11 LEU 72 HD11 LEU 72 0.974 0.853 -2.123 366 HD12 LEU 72 HD12 LEU 72 0.197 1.057 -3.711 367 HD13 LEU 72 HD13 LEU 72 -0.432 -0.147 -2.559 368 HD21 LEU 72 HD21 LEU 72 2.318 -1.196 -1.650 369 HD22 LEU 72 HD22 LEU 72 0.941 -2.236 -2.084 370 HD23 LEU 72 HD23 LEU 72 2.506 -2.445 -2.903 371 H LEU 73 H LEU 73 0.579 -4.682 -5.668 372 HA LEU 73 HA LEU 73 -0.728 -4.125 -8.250 373 HB2 LEU 73 HB2 LEU 73 0.365 -6.623 -7.166 374 HB3 LEU 73 HB3 LEU 73 -0.507 -6.629 -8.715 375 HG LEU 73 HG LEU 73 2.079 -5.128 -8.154 376 HD11 LEU 73 HD11 LEU 73 3.133 -6.840 -9.655 377 HD12 LEU 73 HD12 LEU 73 2.421 -7.597 -8.212 378 HD13 LEU 73 HD13 LEU 73 1.569 -7.679 -9.772 379 HD21 LEU 73 HD21 LEU 73 2.121 -4.762 -10.596 380 HD22 LEU 73 HD22 LEU 73 0.534 -5.557 -10.726 381 HD23 LEU 73 HD23 LEU 73 0.696 -4.035 -9.818 382 H THR 74 H THR 74 -2.801 -5.003 -8.572 383 HA THR 74 HA THR 74 -4.174 -6.491 -6.570 384 HB THR 74 HB THR 74 -4.095 -4.323 -5.386 385 HG1 THR 74 HG1 THR 74 -5.925 -5.674 -5.109 386 HG21 THR 74 HG21 THR 74 -5.378 -2.415 -6.289 387 HG22 THR 74 HG22 THR 74 -4.031 -2.849 -7.369 388 HG23 THR 74 HG23 THR 74 -5.694 -3.332 -7.779 389 H ASP 75 H ASP 75 -6.277 -7.093 -7.207 390 HA ASP 75 HA ASP 75 -7.483 -5.841 -9.520 391 HB2 ASP 75 HB2 ASP 75 -5.922 -7.652 -10.499 392 HB3 ASP 75 HB3 ASP 75 -6.902 -8.723 -9.469 393 H GLY 76 H GLY 76 -9.203 -5.305 -8.200 394 HA2 GLY 76 HA2 GLY 76 -11.207 -5.599 -7.118 395 HA3 GLY 76 HA3 GLY 76 -11.304 -7.135 -7.965 396 H GLU 77 H GLU 77 -8.659 -6.471 -5.806 397 HA GLU 77 HA GLU 77 -9.850 -7.889 -3.589 398 HB2 GLU 77 HB2 GLU 77 -8.204 -9.693 -3.572 399 HB3 GLU 77 HB3 GLU 77 -9.301 -9.752 -4.974 400 HG2 GLU 77 HG2 GLU 77 -7.409 -8.697 -6.373 401 HG3 GLU 77 HG3 GLU 77 -6.467 -8.810 -4.870 402 H TRP 78 H TRP 78 -7.689 -8.588 -2.145 403 HA TRP 78 HA TRP 78 -6.809 -6.317 -0.924 404 HB2 TRP 78 HB2 TRP 78 -5.025 -7.637 0.064 405 HB3 TRP 78 HB3 TRP 78 -6.487 -8.614 -0.048 406 HD1 TRP 78 HD1 TRP 78 -6.215 -9.563 -3.070 407 HE1 TRP 78 HE1 TRP 78 -4.388 -11.261 -3.704 408 HE3 TRP 78 HE3 TRP 78 -3.042 -8.851 0.874 409 HZ2 TRP 78 HZ2 TRP 78 -1.928 -12.177 -2.671 410 HZ3 TRP 78 HZ3 TRP 78 -0.972 -10.178 0.976 411 HH2 TRP 78 HH2 TRP 78 -0.430 -11.807 -0.760 412 H VAL 79 H VAL 79 -4.971 -4.993 -1.027 413 HA VAL 79 HA VAL 79 -3.392 -5.132 -3.489 414 HB VAL 79 HB VAL 79 -3.398 -3.020 -1.311 415 HG11 VAL 79 HG11 VAL 79 -2.092 -1.689 -2.936 416 HG12 VAL 79 HG12 VAL 79 -1.230 -3.180 -2.490 417 HG13 VAL 79 HG13 VAL 79 -2.073 -3.074 -4.054 418 HG21 VAL 79 HG21 VAL 79 -4.558 -1.632 -2.953 419 HG22 VAL 79 HG22 VAL 79 -4.627 -3.014 -4.071 420 HG23 VAL 79 HG23 VAL 79 -5.497 -3.079 -2.519 421 H TRP 80 H TRP 80 -1.337 -5.814 -3.546 422 HA TRP 80 HA TRP 80 0.081 -6.199 -0.996 423 HB2 TRP 80 HB2 TRP 80 0.931 -8.337 -1.740 424 HB3 TRP 80 HB3 TRP 80 -0.828 -8.360 -1.836 425 HD1 TRP 80 HD1 TRP 80 2.291 -8.553 -3.997 426 HE1 TRP 80 HE1 TRP 80 1.611 -9.184 -6.398 427 HE3 TRP 80 HE3 TRP 80 -2.783 -8.118 -3.543 428 HZ2 TRP 80 HZ2 TRP 80 -0.765 -9.459 -7.900 429 HZ3 TRP 80 HZ3 TRP 80 -4.189 -8.583 -5.509 430 HH2 TRP 80 HH2 TRP 80 -3.197 -9.239 -7.643 431 H VAL 81 H VAL 81 2.409 -6.236 -1.171 432 HA VAL 81 HA VAL 81 3.351 -4.379 -3.190 433 HB VAL 81 HB VAL 81 4.816 -5.625 -0.842 434 HG11 VAL 81 HG11 VAL 81 6.495 -3.856 -1.255 435 HG12 VAL 81 HG12 VAL 81 6.345 -4.938 -2.660 436 HG13 VAL 81 HG13 VAL 81 5.586 -3.328 -2.691 437 HG21 VAL 81 HG21 VAL 81 4.552 -3.434 0.206 438 HG22 VAL 81 HG22 VAL 81 3.573 -2.890 -1.179 439 HG23 VAL 81 HG23 VAL 81 2.985 -4.206 -0.132 440 H GLU 82 H GLU 82 4.267 -4.983 -5.029 441 HA GLU 82 HA GLU 82 4.783 -7.639 -5.754 442 HB2 GLU 82 HB2 GLU 82 4.368 -5.816 -7.336 443 HB3 GLU 82 HB3 GLU 82 5.958 -5.126 -6.927 444 HG2 GLU 82 HG2 GLU 82 7.061 -7.210 -7.873 445 HG3 GLU 82 HG3 GLU 82 5.406 -7.795 -8.155 446 H GLY 83 H GLY 83 6.359 -8.969 -5.161 447 HA2 GLY 83 HA2 GLY 83 8.711 -9.483 -5.240 448 HA3 GLY 83 HA3 GLY 83 9.043 -7.836 -4.725 449 H TYR 84 H TYR 84 6.661 -8.322 -2.780 450 HA TYR 84 HA TYR 84 8.306 -9.640 -0.722 451 HB2 TYR 84 HB2 TYR 84 6.394 -7.339 -0.599 452 HB3 TYR 84 HB3 TYR 84 6.753 -8.307 0.851 453 HD1 TYR 84 HD1 TYR 84 9.310 -8.615 1.386 454 HD2 TYR 84 HD2 TYR 84 7.755 -5.505 -1.082 455 HE1 TYR 84 HE1 TYR 84 11.365 -7.297 1.769 456 HE2 TYR 84 HE2 TYR 84 9.809 -4.171 -0.708 457 HH TYR 84 HH TYR 84 12.480 -5.360 1.332 458 H GLU 85 H GLU 85 6.089 -10.590 -2.687 459 HA GLU 85 HA GLU 85 4.024 -11.706 -1.182 460 HB2 GLU 85 HB2 GLU 85 5.513 -12.785 -3.562 461 HB3 GLU 85 HB3 GLU 85 4.055 -13.542 -2.875 462 HG2 GLU 85 HG2 GLU 85 3.071 -12.216 -4.596 463 HG3 GLU 85 HG3 GLU 85 3.070 -11.181 -3.151 464 H GLU 86 H GLU 86 7.402 -12.413 -1.224 465 HA GLU 86 HA GLU 86 7.307 -14.968 -0.000 466 HB2 GLU 86 HB2 GLU 86 9.293 -14.112 -1.100 467 HB3 GLU 86 HB3 GLU 86 9.426 -12.834 0.133 468 HG2 GLU 86 HG2 GLU 86 9.828 -14.639 1.886 469 HG3 GLU 86 HG3 GLU 86 9.626 -15.789 0.544 470 H HIS 87 H HIS 87 7.588 -11.682 1.317 471 HA HIS 87 HA HIS 87 7.763 -12.629 4.024 472 HB2 HIS 87 HB2 HIS 87 7.479 -9.829 2.878 473 HB3 HIS 87 HB3 HIS 87 7.658 -10.180 4.613 474 HD1 HIS 87 HD1 HIS 87 9.777 -8.487 3.929 475 HD2 HIS 87 HD2 HIS 87 10.114 -12.568 2.930 476 HE1 HIS 87 HE1 HIS 87 12.153 -8.887 3.519 477 H ILE 88 H ILE 88 5.232 -11.779 1.866 478 HA ILE 88 HA ILE 88 3.245 -11.185 3.830 479 HB ILE 88 HB ILE 88 3.045 -11.964 0.912 480 HG12 ILE 88 HG12 ILE 88 2.363 -9.375 2.267 481 HG13 ILE 88 HG13 ILE 88 3.978 -9.750 1.625 482 HG21 ILE 88 HG21 ILE 88 0.648 -11.382 1.075 483 HG22 ILE 88 HG22 ILE 88 1.040 -12.774 2.110 484 HG23 ILE 88 HG23 ILE 88 0.820 -11.164 2.832 485 HD11 ILE 88 HD11 ILE 88 2.666 -8.423 0.015 486 HD12 ILE 88 HD12 ILE 88 3.015 -10.046 -0.624 487 HD13 ILE 88 HD13 ILE 88 1.400 -9.672 0.019 488 H GLY 89 H GLY 89 1.741 -12.497 4.780 489 HA2 GLY 89 HA2 GLY 89 0.636 -14.534 5.226 490 HA3 GLY 89 HA3 GLY 89 1.774 -15.358 4.170 491 H LYS 90 H LYS 90 3.102 -13.164 6.451 492 HA LYS 90 HA LYS 90 3.987 -15.444 8.095 493 HB2 LYS 90 HB2 LYS 90 5.384 -12.873 7.409 494 HB3 LYS 90 HB3 LYS 90 5.945 -14.000 8.667 495 HG2 LYS 90 HG2 LYS 90 6.292 -15.746 7.020 496 HG3 LYS 90 HG3 LYS 90 5.587 -14.728 5.742 497 HD2 LYS 90 HD2 LYS 90 7.411 -13.172 5.865 498 HD3 LYS 90 HD3 LYS 90 8.052 -13.955 7.329 499 HE2 LYS 90 HE2 LYS 90 8.436 -16.025 6.003 500 HE3 LYS 90 HE3 LYS 90 7.902 -15.154 4.547 501 HZ1 LYS 90 HZ1 LYS 90 10.297 -15.171 4.747 502 HZ2 LYS 90 HZ2 LYS 90 9.728 -13.627 4.870 503 HZ3 LYS 90 HZ3 LYS 90 10.224 -14.435 6.220 504 H GLN 91 H GLN 91 4.449 -14.947 10.371 505 HA GLN 91 HA GLN 91 2.352 -13.363 11.536 506 HB2 GLN 91 HB2 GLN 91 3.166 -15.554 12.425 507 HB3 GLN 91 HB3 GLN 91 4.654 -14.716 12.923 508 HG2 GLN 91 HG2 GLN 91 3.042 -13.205 14.510 509 HG3 GLN 91 HG3 GLN 91 1.899 -14.288 13.680 510 HE21 GLN 91 HE21 GLN 91 2.049 -14.084 16.467 511 HE22 GLN 91 HE22 GLN 91 2.646 -15.580 17.107 512 H LEU 92 H LEU 92 2.915 -11.257 10.804 513 HA LEU 92 HA LEU 92 5.096 -10.031 12.342 514 HB2 LEU 92 HB2 LEU 92 5.406 -8.559 10.415 515 HB3 LEU 92 HB3 LEU 92 6.187 -10.148 10.242 516 HG LEU 92 HG LEU 92 3.983 -10.792 8.983 517 HD11 LEU 92 HD11 LEU 92 2.992 -8.853 7.738 518 HD12 LEU 92 HD12 LEU 92 2.784 -8.668 9.495 519 HD13 LEU 92 HD13 LEU 92 4.049 -7.748 8.647 520 HD21 LEU 92 HD21 LEU 92 4.979 -10.066 6.842 521 HD22 LEU 92 HD22 LEU 92 6.078 -8.990 7.738 522 HD23 LEU 92 HD23 LEU 92 6.180 -10.752 7.960 523 HA PRO 93 HA PRO 93 2.206 -6.882 13.349 524 HB2 PRO 93 HB2 PRO 93 3.807 -4.696 13.625 525 HB3 PRO 93 HB3 PRO 93 3.783 -6.023 14.795 526 HG2 PRO 93 HG2 PRO 93 5.720 -5.538 12.505 527 HG3 PRO 93 HG3 PRO 93 6.073 -5.981 14.180 528 HD2 PRO 93 HD2 PRO 93 6.052 -7.873 12.218 529 HD3 PRO 93 HD3 PRO 93 5.477 -8.261 13.844 530 H LEU 94 H LEU 94 1.172 -4.946 12.588 531 HA LEU 94 HA LEU 94 0.925 -4.743 9.802 532 HB2 LEU 94 HB2 LEU 94 0.240 -2.974 12.031 533 HB3 LEU 94 HB3 LEU 94 -0.320 -2.529 10.402 534 HG LEU 94 HG LEU 94 -1.070 -5.038 11.953 535 HD11 LEU 94 HD11 LEU 94 -3.367 -4.031 11.954 536 HD12 LEU 94 HD12 LEU 94 -2.197 -2.974 12.779 537 HD13 LEU 94 HD13 LEU 94 -2.723 -2.598 11.120 538 HD21 LEU 94 HD21 LEU 94 -2.614 -5.496 10.081 539 HD22 LEU 94 HD22 LEU 94 -1.948 -4.092 9.211 540 HD23 LEU 94 HD23 LEU 94 -0.906 -5.489 9.577 541 H ASN 95 H ASN 95 3.105 -3.244 12.028 542 HA ASN 95 HA ASN 95 3.912 -1.039 10.466 543 HB2 ASN 95 HB2 ASN 95 5.586 -2.454 12.660 544 HB3 ASN 95 HB3 ASN 95 5.874 -1.107 11.532 545 HD21 ASN 95 HD21 ASN 95 5.693 -1.238 14.485 546 HD22 ASN 95 HD22 ASN 95 4.499 -0.061 14.922 547 H GLN 96 H GLN 96 4.581 -4.422 10.250 548 HA GLN 96 HA GLN 96 6.591 -3.888 8.161 549 HB2 GLN 96 HB2 GLN 96 6.350 -6.196 10.077 550 HB3 GLN 96 HB3 GLN 96 7.412 -6.208 8.650 551 HG2 GLN 96 HG2 GLN 96 7.839 -4.272 11.092 552 HG3 GLN 96 HG3 GLN 96 8.524 -5.820 10.541 553 HE21 GLN 96 HE21 GLN 96 9.016 -2.561 10.610 554 HE22 GLN 96 HE22 GLN 96 10.031 -2.381 9.218 555 H ALA 97 H ALA 97 3.566 -4.252 8.138 556 HA ALA 97 HA ALA 97 3.166 -6.675 6.632 557 HB1 ALA 97 HB1 ALA 97 0.888 -5.490 6.192 558 HB2 ALA 97 HB2 ALA 97 1.263 -6.111 7.801 559 HB3 ALA 97 HB3 ALA 97 1.432 -4.389 7.458 560 H ARG 98 H ARG 98 2.901 -6.893 4.443 561 HA ARG 98 HA ARG 98 3.491 -4.512 2.809 562 HB2 ARG 98 HB2 ARG 98 4.689 -7.173 2.724 563 HB3 ARG 98 HB3 ARG 98 4.357 -6.360 1.177 564 HG2 ARG 98 HG2 ARG 98 6.541 -5.704 1.634 565 HG3 ARG 98 HG3 ARG 98 5.580 -4.335 2.247 566 HD2 ARG 98 HD2 ARG 98 5.837 -5.083 4.482 567 HD3 ARG 98 HD3 ARG 98 6.631 -6.580 3.937 568 HE ARG 98 HE ARG 98 8.291 -4.344 3.126 569 HH11 ARG 98 HH11 ARG 98 7.246 -5.902 6.066 570 HH12 ARG 98 HH12 ARG 98 8.740 -5.435 6.853 571 HH21 ARG 98 HH21 ARG 98 10.003 -3.794 4.016 572 HH22 ARG 98 HH22 ARG 98 10.313 -4.232 5.685 573 H ALA 99 H ALA 99 0.881 -5.399 3.538 574 HA ALA 99 HA ALA 99 -0.312 -5.403 0.956 575 HB1 ALA 99 HB1 ALA 99 0.119 -7.719 0.866 576 HB2 ALA 99 HB2 ALA 99 -0.382 -7.957 2.541 577 HB3 ALA 99 HB3 ALA 99 -1.581 -7.567 1.309 578 H TRP 100 H TRP 100 -2.440 -4.761 1.021 579 HA TRP 100 HA TRP 100 -3.822 -4.808 3.604 580 HB2 TRP 100 HB2 TRP 100 -3.733 -2.353 1.839 581 HB3 TRP 100 HB3 TRP 100 -4.535 -2.505 3.399 582 HD1 TRP 100 HD1 TRP 100 -3.080 -2.167 5.555 583 HE1 TRP 100 HE1 TRP 100 -0.650 -1.420 5.956 584 HE3 TRP 100 HE3 TRP 100 -1.320 -2.528 0.769 585 HZ2 TRP 100 HZ2 TRP 100 1.701 -1.034 4.443 586 HZ3 TRP 100 HZ3 TRP 100 1.031 -1.952 0.331 587 HH2 TRP 100 HH2 TRP 100 2.509 -1.220 2.131 588 H SER 101 H SER 101 -6.176 -4.369 3.372 589 HA SER 101 HA SER 101 -7.231 -5.428 0.871 590 HB2 SER 101 HB2 SER 101 -9.350 -5.569 2.010 591 HB3 SER 101 HB3 SER 101 -8.069 -6.287 3.013 592 HG SER 101 HG SER 101 -9.462 -4.925 4.210 593 H TRP 102 H TRP 102 -8.715 -4.330 -0.441 594 HA TRP 102 HA TRP 102 -8.563 -1.557 -0.727 595 HB2 TRP 102 HB2 TRP 102 -10.377 -3.690 -1.733 596 HB3 TRP 102 HB3 TRP 102 -10.940 -2.025 -1.863 597 HD1 TRP 102 HD1 TRP 102 -9.319 -4.443 -3.925 598 HE1 TRP 102 HE1 TRP 102 -7.854 -3.364 -5.746 599 HE3 TRP 102 HE3 TRP 102 -8.985 0.283 -2.003 600 HZ2 TRP 102 HZ2 TRP 102 -6.707 -0.843 -6.293 601 HZ3 TRP 102 HZ3 TRP 102 -7.685 1.968 -3.237 602 HH2 TRP 102 HH2 TRP 102 -6.571 1.415 -5.337 603 H GLU 103 H GLU 103 -10.627 -3.548 1.272 604 HA GLU 103 HA GLU 103 -12.525 -1.529 1.907 605 HB2 GLU 103 HB2 GLU 103 -11.771 -4.121 3.221 606 HB3 GLU 103 HB3 GLU 103 -13.034 -3.044 3.868 607 HG2 GLU 103 HG2 GLU 103 -13.110 -4.431 1.120 608 HG3 GLU 103 HG3 GLU 103 -13.982 -4.819 2.620 609 H PHE 104 H PHE 104 -9.512 -2.616 3.381 610 HA PHE 104 HA PHE 104 -9.587 -0.875 5.613 611 HB2 PHE 104 HB2 PHE 104 -8.044 -2.761 5.588 612 HB3 PHE 104 HB3 PHE 104 -7.212 -2.095 4.164 613 HD1 PHE 104 HD1 PHE 104 -7.939 -1.501 7.747 614 HD2 PHE 104 HD2 PHE 104 -5.485 -0.562 4.380 615 HE1 PHE 104 HE1 PHE 104 -6.372 -0.292 9.229 616 HE2 PHE 104 HE2 PHE 104 -3.914 0.646 5.859 617 HZ PHE 104 HZ PHE 104 -4.359 0.781 8.284 618 H ILE 105 H ILE 105 -8.175 -0.559 2.372 619 HA ILE 105 HA ILE 105 -7.132 2.014 2.612 620 HB ILE 105 HB ILE 105 -8.310 0.602 0.207 621 HG12 ILE 105 HG12 ILE 105 -5.448 1.217 0.871 622 HG13 ILE 105 HG13 ILE 105 -6.271 -0.284 1.358 623 HG21 ILE 105 HG21 ILE 105 -7.197 2.341 -1.154 624 HG22 ILE 105 HG22 ILE 105 -8.452 3.050 -0.111 625 HG23 ILE 105 HG23 ILE 105 -6.735 3.207 0.330 626 HD11 ILE 105 HD11 ILE 105 -4.965 -0.615 -0.705 627 HD12 ILE 105 HD12 ILE 105 -6.707 -0.813 -1.010 628 HD13 ILE 105 HD13 ILE 105 -5.883 0.687 -1.496 629 H LYS 106 H LYS 106 -10.403 0.955 1.761 630 HA LYS 106 HA LYS 106 -11.444 3.566 1.349 631 HB2 LYS 106 HB2 LYS 106 -12.718 0.909 1.910 632 HB3 LYS 106 HB3 LYS 106 -13.668 2.402 1.722 633 HG2 LYS 106 HG2 LYS 106 -13.121 2.619 -0.546 634 HG3 LYS 106 HG3 LYS 106 -11.712 1.540 -0.404 635 HD2 LYS 106 HD2 LYS 106 -13.500 0.392 -1.587 636 HD3 LYS 106 HD3 LYS 106 -13.242 -0.368 0.002 637 HE2 LYS 106 HE2 LYS 106 -15.145 0.874 0.918 638 HE3 LYS 106 HE3 LYS 106 -15.395 1.668 -0.654 639 HZ1 LYS 106 HZ1 LYS 106 -16.883 -0.191 -0.349 640 HZ2 LYS 106 HZ2 LYS 106 -15.850 -0.494 -1.599 641 HZ3 LYS 106 HZ3 LYS 106 -15.619 -1.228 -0.140 642 H ASN 107 H ASN 107 -11.286 1.410 4.137 643 HA ASN 107 HA ASN 107 -12.976 2.876 5.839 644 HB2 ASN 107 HB2 ASN 107 -10.771 0.863 6.667 645 HB3 ASN 107 HB3 ASN 107 -11.829 1.971 7.574 646 HD21 ASN 107 HD21 ASN 107 -11.658 -0.987 7.441 647 HD22 ASN 107 HD22 ASN 107 -13.262 -1.518 7.052 648 H ARG 108 H ARG 108 -9.488 3.042 5.271 649 HA ARG 108 HA ARG 108 -9.052 5.091 7.227 650 HB2 ARG 108 HB2 ARG 108 -7.297 4.074 5.058 651 HB3 ARG 108 HB3 ARG 108 -6.845 5.339 6.224 652 HG2 ARG 108 HG2 ARG 108 -7.729 2.556 7.031 653 HG3 ARG 108 HG3 ARG 108 -6.027 3.005 6.761 654 HD2 ARG 108 HD2 ARG 108 -7.886 4.216 8.784 655 HD3 ARG 108 HD3 ARG 108 -6.618 3.008 9.100 656 HE ARG 108 HE ARG 108 -6.088 5.914 8.691 657 HH11 ARG 108 HH11 ARG 108 -4.731 2.708 8.886 658 HH12 ARG 108 HH12 ARG 108 -3.141 3.392 9.167 659 HH21 ARG 108 HH21 ARG 108 -4.277 6.711 9.021 660 HH22 ARG 108 HH22 ARG 108 -2.881 5.675 9.245 661 H LEU 109 H LEU 109 -9.690 4.990 3.778 662 HA LEU 109 HA LEU 109 -9.189 7.746 3.284 663 HB2 LEU 109 HB2 LEU 109 -9.095 6.199 1.622 664 HB3 LEU 109 HB3 LEU 109 -10.792 5.677 1.714 665 HG LEU 109 HG LEU 109 -11.493 7.971 1.038 666 HD11 LEU 109 HD11 LEU 109 -9.754 9.500 0.072 667 HD12 LEU 109 HD12 LEU 109 -9.447 9.180 1.795 668 HD13 LEU 109 HD13 LEU 109 -8.491 8.341 0.549 669 HD21 LEU 109 HD21 LEU 109 -10.857 7.761 -1.339 670 HD22 LEU 109 HD22 LEU 109 -9.619 6.565 -0.884 671 HD23 LEU 109 HD23 LEU 109 -11.341 6.208 -0.619 672 H LYS 110 H LYS 110 -12.023 5.897 4.242 673 HA LYS 110 HA LYS 110 -13.932 7.949 3.915 674 HB2 LYS 110 HB2 LYS 110 -13.837 5.475 5.604 675 HB3 LYS 110 HB3 LYS 110 -15.208 6.607 5.672 676 HG2 LYS 110 HG2 LYS 110 -15.655 6.253 3.297 677 HG3 LYS 110 HG3 LYS 110 -14.238 5.183 3.172 678 HD2 LYS 110 HD2 LYS 110 -15.269 3.618 4.763 679 HD3 LYS 110 HD3 LYS 110 -16.682 4.692 4.908 680 HE2 LYS 110 HE2 LYS 110 -17.145 4.405 2.510 681 HE3 LYS 110 HE3 LYS 110 -15.737 3.330 2.367 682 HZ1 LYS 110 HZ1 LYS 110 -17.783 2.092 2.586 683 HZ2 LYS 110 HZ2 LYS 110 -16.815 1.821 3.894 684 HZ3 LYS 110 HZ3 LYS 110 -18.121 2.820 4.027 685 H GLU 111 H GLU 111 -11.664 7.194 6.463 686 HA GLU 111 HA GLU 111 -12.770 8.906 8.441 687 HB2 GLU 111 HB2 GLU 111 -10.013 7.787 8.027 688 HB3 GLU 111 HB3 GLU 111 -10.445 8.820 9.411 689 HG2 GLU 111 HG2 GLU 111 -12.139 7.084 10.140 690 HG3 GLU 111 HG3 GLU 111 -11.687 6.206 8.661 691 H LEU 112 H LEU 112 -11.290 9.568 5.507 692 HA LEU 112 HA LEU 112 -10.057 12.060 6.439 693 HB2 LEU 112 HB2 LEU 112 -9.932 10.620 3.885 694 HB3 LEU 112 HB3 LEU 112 -8.944 12.074 4.155 695 HG LEU 112 HG LEU 112 -8.704 9.414 5.614 696 HD11 LEU 112 HD11 LEU 112 -6.453 9.320 4.510 697 HD12 LEU 112 HD12 LEU 112 -7.762 9.394 3.306 698 HD13 LEU 112 HD13 LEU 112 -6.814 10.853 3.680 699 HD21 LEU 112 HD21 LEU 112 -6.742 10.420 6.730 700 HD22 LEU 112 HD22 LEU 112 -7.116 11.974 5.945 701 HD23 LEU 112 HD23 LEU 112 -8.260 11.268 7.112 702 H ASN 113 H ASN 113 -13.008 11.345 5.761 703 HA ASN 113 HA ASN 113 -13.731 13.102 3.644 704 HB2 ASN 113 HB2 ASN 113 -15.586 11.940 5.840 705 HB3 ASN 113 HB3 ASN 113 -15.795 13.132 4.534 706 HD21 ASN 113 HD21 ASN 113 -17.012 10.496 4.958 707 HD22 ASN 113 HD22 ASN 113 -16.666 9.581 3.528 708 H LEU 114 H LEU 114 -14.034 13.426 7.184 709 HA LEU 114 HA LEU 114 -14.541 16.270 6.908 710 HB2 LEU 114 HB2 LEU 114 -14.306 14.468 9.209 711 HB3 LEU 114 HB3 LEU 114 -14.796 16.160 9.454 712 HG LEU 114 HG LEU 114 -16.330 14.012 7.937 713 HD11 LEU 114 HD11 LEU 114 -18.040 14.353 9.742 714 HD12 LEU 114 HD12 LEU 114 -16.481 13.825 10.420 715 HD13 LEU 114 HD13 LEU 114 -16.962 15.536 10.519 716 HD21 LEU 114 HD21 LEU 114 -18.090 15.723 7.658 717 HD22 LEU 114 HD22 LEU 114 -17.007 16.932 8.391 718 HD23 LEU 114 HD23 LEU 114 -16.569 16.164 6.847 Start of MODEL 11 1 H1 GLY 29 H1 GLY 29 -0.437 -27.179 -16.994 2 H2 GLY 29 H2 GLY 29 0.399 -27.942 -17.978 3 H3 GLY 29 H3 GLY 29 0.336 -26.445 -18.049 4 HA2 GLY 29 HA2 GLY 29 -1.357 -28.227 -19.446 5 HA3 GLY 29 HA3 GLY 29 -2.336 -27.331 -18.293 6 H SER 30 H SER 30 -2.694 -27.174 -21.074 7 HA SER 30 HA SER 30 -1.230 -24.837 -22.012 8 HB2 SER 30 HB2 SER 30 -2.140 -25.343 -24.189 9 HB3 SER 30 HB3 SER 30 -1.438 -26.805 -23.459 10 HG SER 30 HG SER 30 -3.483 -27.185 -24.418 11 H GLU 31 H GLU 31 -2.710 -23.239 -23.436 12 HA GLU 31 HA GLU 31 -3.683 -22.001 -21.008 13 HB2 GLU 31 HB2 GLU 31 -1.934 -20.942 -22.330 14 HB3 GLU 31 HB3 GLU 31 -3.058 -20.815 -23.703 15 HG2 GLU 31 HG2 GLU 31 -4.512 -19.258 -22.295 16 HG3 GLU 31 HG3 GLU 31 -3.296 -19.513 -21.023 17 H GLU 32 H GLU 32 -5.777 -22.013 -20.551 18 HA GLU 32 HA GLU 32 -7.706 -21.863 -22.771 19 HB2 GLU 32 HB2 GLU 32 -7.995 -23.018 -20.008 20 HB3 GLU 32 HB3 GLU 32 -9.337 -22.821 -21.163 21 HG2 GLU 32 HG2 GLU 32 -8.105 -24.400 -22.758 22 HG3 GLU 32 HG3 GLU 32 -6.871 -24.481 -21.478 23 H LYS 33 H LYS 33 -7.385 -20.910 -19.343 24 HA LYS 33 HA LYS 33 -9.311 -18.748 -19.886 25 HB2 LYS 33 HB2 LYS 33 -8.753 -20.277 -17.355 26 HB3 LYS 33 HB3 LYS 33 -9.816 -18.854 -17.457 27 HG2 LYS 33 HG2 LYS 33 -11.264 -20.075 -19.052 28 HG3 LYS 33 HG3 LYS 33 -10.218 -21.504 -18.885 29 HD2 LYS 33 HD2 LYS 33 -10.727 -21.593 -16.475 30 HD3 LYS 33 HD3 LYS 33 -11.779 -20.168 -16.647 31 HE2 LYS 33 HE2 LYS 33 -13.143 -21.464 -18.301 32 HE3 LYS 33 HE3 LYS 33 -12.157 -22.893 -17.922 33 HZ1 LYS 33 HZ1 LYS 33 -14.197 -22.859 -16.655 34 HZ2 LYS 33 HZ2 LYS 33 -12.900 -22.722 -15.644 35 HZ3 LYS 33 HZ3 LYS 33 -13.815 -21.395 -15.997 36 H GLU 34 H GLU 34 -7.999 -17.034 -20.329 37 HA GLU 34 HA GLU 34 -6.014 -16.312 -18.276 38 HB2 GLU 34 HB2 GLU 34 -4.883 -17.123 -20.244 39 HB3 GLU 34 HB3 GLU 34 -5.803 -15.987 -21.261 40 HG2 GLU 34 HG2 GLU 34 -3.513 -15.057 -20.895 41 HG3 GLU 34 HG3 GLU 34 -4.803 -14.139 -20.082 42 H GLU 35 H GLU 35 -6.294 -14.310 -17.399 43 HA GLU 35 HA GLU 35 -8.446 -12.699 -18.579 44 HB2 GLU 35 HB2 GLU 35 -8.438 -13.867 -15.805 45 HB3 GLU 35 HB3 GLU 35 -9.608 -12.671 -16.414 46 HG2 GLU 35 HG2 GLU 35 -10.361 -14.398 -18.150 47 HG3 GLU 35 HG3 GLU 35 -9.148 -15.457 -17.395 48 H LYS 36 H LYS 36 -8.830 -10.660 -17.295 49 HA LYS 36 HA LYS 36 -6.384 -9.271 -17.453 50 HB2 LYS 36 HB2 LYS 36 -9.085 -8.441 -16.428 51 HB3 LYS 36 HB3 LYS 36 -7.703 -7.330 -16.584 52 HG2 LYS 36 HG2 LYS 36 -7.627 -7.801 -19.016 53 HG3 LYS 36 HG3 LYS 36 -9.054 -8.850 -18.840 54 HD2 LYS 36 HD2 LYS 36 -10.352 -6.923 -17.996 55 HD3 LYS 36 HD3 LYS 36 -8.927 -5.879 -18.218 56 HE2 LYS 36 HE2 LYS 36 -8.941 -6.363 -20.624 57 HE3 LYS 36 HE3 LYS 36 -10.356 -7.419 -20.408 58 HZ1 LYS 36 HZ1 LYS 36 -10.987 -5.231 -21.172 59 HZ2 LYS 36 HZ2 LYS 36 -11.593 -5.499 -19.662 60 HZ3 LYS 36 HZ3 LYS 36 -10.280 -4.521 -19.862 61 H LYS 37 H LYS 37 -5.346 -10.786 -15.796 62 HA LYS 37 HA LYS 37 -5.728 -10.525 -13.056 63 HB2 LYS 37 HB2 LYS 37 -3.448 -11.214 -12.774 64 HB3 LYS 37 HB3 LYS 37 -4.237 -12.155 -14.061 65 HG2 LYS 37 HG2 LYS 37 -3.138 -10.651 -15.742 66 HG3 LYS 37 HG3 LYS 37 -2.244 -9.892 -14.403 67 HD2 LYS 37 HD2 LYS 37 -2.169 -12.858 -15.044 68 HD3 LYS 37 HD3 LYS 37 -0.966 -11.682 -15.628 69 HE2 LYS 37 HE2 LYS 37 -0.467 -11.073 -13.275 70 HE3 LYS 37 HE3 LYS 37 -1.609 -12.324 -12.732 71 HZ1 LYS 37 HZ1 LYS 37 0.657 -13.118 -12.707 72 HZ2 LYS 37 HZ2 LYS 37 -0.225 -13.965 -13.814 73 HZ3 LYS 37 HZ3 LYS 37 0.833 -12.803 -14.317 74 H VAL 38 H VAL 38 -3.560 -9.484 -11.804 75 HA VAL 38 HA VAL 38 -4.758 -7.134 -11.152 76 HB VAL 38 HB VAL 38 -2.728 -6.487 -9.947 77 HG11 VAL 38 HG11 VAL 38 -2.758 -8.228 -8.419 78 HG12 VAL 38 HG12 VAL 38 -4.289 -8.443 -9.269 79 HG13 VAL 38 HG13 VAL 38 -2.906 -9.461 -9.673 80 HG21 VAL 38 HG21 VAL 38 -0.823 -6.890 -11.082 81 HG22 VAL 38 HG22 VAL 38 -0.881 -8.441 -10.245 82 HG23 VAL 38 HG23 VAL 38 -1.484 -8.308 -11.897 83 H ARG 39 H ARG 39 -3.878 -4.867 -11.256 84 HA ARG 39 HA ARG 39 -3.580 -4.380 -14.136 85 HB2 ARG 39 HB2 ARG 39 -4.828 -2.612 -12.097 86 HB3 ARG 39 HB3 ARG 39 -4.696 -2.306 -13.844 87 HG2 ARG 39 HG2 ARG 39 -6.215 -4.607 -12.578 88 HG3 ARG 39 HG3 ARG 39 -6.948 -3.096 -13.168 89 HD2 ARG 39 HD2 ARG 39 -5.435 -5.077 -14.841 90 HD3 ARG 39 HD3 ARG 39 -7.206 -4.962 -14.706 91 HE ARG 39 HE ARG 39 -6.266 -2.426 -15.715 92 HH11 ARG 39 HH11 ARG 39 -6.321 -5.752 -16.760 93 HH12 ARG 39 HH12 ARG 39 -6.404 -5.232 -18.432 94 HH21 ARG 39 HH21 ARG 39 -6.352 -1.814 -17.624 95 HH22 ARG 39 HH22 ARG 39 -6.420 -2.986 -18.926 96 H GLU 40 H GLU 40 -2.780 -1.978 -14.511 97 HA GLU 40 HA GLU 40 -0.034 -2.054 -13.764 98 HB2 GLU 40 HB2 GLU 40 0.246 -0.101 -15.104 99 HB3 GLU 40 HB3 GLU 40 -0.803 -1.269 -15.943 100 HG2 GLU 40 HG2 GLU 40 -2.820 0.139 -15.199 101 HG3 GLU 40 HG3 GLU 40 -1.598 1.208 -14.475 102 H LEU 41 H LEU 41 0.825 0.433 -13.293 103 HA LEU 41 HA LEU 41 -0.420 1.097 -10.705 104 HB2 LEU 41 HB2 LEU 41 2.452 0.739 -11.465 105 HB3 LEU 41 HB3 LEU 41 2.010 1.777 -10.111 106 HG LEU 41 HG LEU 41 0.713 -0.370 -9.312 107 HD11 LEU 41 HD11 LEU 41 2.342 -1.326 -11.532 108 HD12 LEU 41 HD12 LEU 41 0.990 -2.095 -10.701 109 HD13 LEU 41 HD13 LEU 41 2.617 -2.207 -10.029 110 HD21 LEU 41 HD21 LEU 41 2.419 0.633 -7.994 111 HD22 LEU 41 HD22 LEU 41 3.680 0.102 -9.106 112 HD23 LEU 41 HD23 LEU 41 2.808 -1.082 -8.130 113 H THR 42 H THR 42 -1.602 2.724 -11.943 114 HA THR 42 HA THR 42 -0.214 4.909 -13.150 115 HB THR 42 HB THR 42 -2.409 6.048 -13.183 116 HG1 THR 42 HG1 THR 42 -3.287 3.724 -11.763 117 HG21 THR 42 HG21 THR 42 -3.587 4.399 -14.596 118 HG22 THR 42 HG22 THR 42 -1.844 4.427 -14.962 119 HG23 THR 42 HG23 THR 42 -2.526 3.111 -13.978 120 HA PRO 43 HA PRO 43 0.569 7.531 -9.670 121 HB2 PRO 43 HB2 PRO 43 0.051 9.978 -10.740 122 HB3 PRO 43 HB3 PRO 43 1.503 9.044 -11.121 123 HG2 PRO 43 HG2 PRO 43 -1.044 9.305 -12.676 124 HG3 PRO 43 HG3 PRO 43 0.631 9.349 -13.259 125 HD2 PRO 43 HD2 PRO 43 -0.901 7.143 -13.483 126 HD3 PRO 43 HD3 PRO 43 0.847 7.048 -13.194 127 H GLN 44 H GLN 44 -2.490 7.824 -11.369 128 HA GLN 44 HA GLN 44 -3.784 9.402 -9.374 129 HB2 GLN 44 HB2 GLN 44 -4.490 9.305 -11.733 130 HB3 GLN 44 HB3 GLN 44 -4.992 7.617 -11.479 131 HG2 GLN 44 HG2 GLN 44 -7.158 9.005 -11.167 132 HG3 GLN 44 HG3 GLN 44 -6.336 8.349 -9.732 133 HE21 GLN 44 HE21 GLN 44 -7.415 9.886 -8.417 134 HE22 GLN 44 HE22 GLN 44 -6.912 11.544 -8.377 135 H GLU 45 H GLU 45 -3.480 5.958 -10.009 136 HA GLU 45 HA GLU 45 -5.341 5.203 -7.951 137 HB2 GLU 45 HB2 GLU 45 -3.345 3.639 -9.566 138 HB3 GLU 45 HB3 GLU 45 -4.415 2.910 -8.342 139 HG2 GLU 45 HG2 GLU 45 -5.331 4.286 -10.939 140 HG3 GLU 45 HG3 GLU 45 -5.279 2.562 -10.508 141 H LEU 46 H LEU 46 -1.896 5.697 -8.211 142 HA LEU 46 HA LEU 46 -1.229 4.338 -5.783 143 HB2 LEU 46 HB2 LEU 46 0.253 4.471 -7.504 144 HB3 LEU 46 HB3 LEU 46 0.380 6.245 -7.539 145 HG LEU 46 HG LEU 46 1.318 6.149 -5.210 146 HD11 LEU 46 HD11 LEU 46 2.215 3.941 -4.425 147 HD12 LEU 46 HD12 LEU 46 0.446 3.895 -4.600 148 HD13 LEU 46 HD13 LEU 46 1.482 3.158 -5.845 149 HD21 LEU 46 HD21 LEU 46 3.572 5.420 -5.906 150 HD22 LEU 46 HD22 LEU 46 2.862 4.670 -7.358 151 HD23 LEU 46 HD23 LEU 46 2.770 6.433 -7.130 152 H GLU 47 H GLU 47 -1.609 7.740 -6.720 153 HA GLU 47 HA GLU 47 -0.715 8.921 -4.375 154 HB2 GLU 47 HB2 GLU 47 -2.736 9.780 -6.414 155 HB3 GLU 47 HB3 GLU 47 -2.328 10.795 -5.009 156 HG2 GLU 47 HG2 GLU 47 0.067 10.899 -5.797 157 HG3 GLU 47 HG3 GLU 47 -0.429 9.764 -7.074 158 H LEU 48 H LEU 48 -3.930 7.709 -5.199 159 HA LEU 48 HA LEU 48 -5.312 8.630 -2.948 160 HB2 LEU 48 HB2 LEU 48 -7.039 7.304 -3.632 161 HB3 LEU 48 HB3 LEU 48 -6.109 7.414 -5.125 162 HG LEU 48 HG LEU 48 -5.041 5.176 -4.243 163 HD11 LEU 48 HD11 LEU 48 -7.723 4.593 -3.187 164 HD12 LEU 48 HD12 LEU 48 -6.702 5.598 -2.160 165 HD13 LEU 48 HD13 LEU 48 -6.142 4.005 -2.672 166 HD21 LEU 48 HD21 LEU 48 -6.167 4.259 -5.940 167 HD22 LEU 48 HD22 LEU 48 -6.911 5.845 -6.138 168 HD23 LEU 48 HD23 LEU 48 -7.732 4.595 -5.202 169 H PHE 49 H PHE 49 -3.092 5.988 -3.348 170 HA PHE 49 HA PHE 49 -3.831 4.500 -1.053 171 HB2 PHE 49 HB2 PHE 49 -2.521 3.455 -2.830 172 HB3 PHE 49 HB3 PHE 49 -1.187 4.597 -2.546 173 HD1 PHE 49 HD1 PHE 49 -3.112 1.813 -1.046 174 HD2 PHE 49 HD2 PHE 49 0.436 4.190 -0.933 175 HE1 PHE 49 HE1 PHE 49 -2.112 0.239 0.575 176 HE2 PHE 49 HE2 PHE 49 1.442 2.616 0.687 177 HZ PHE 49 HZ PHE 49 0.165 0.640 1.443 178 H LYS 50 H LYS 50 -1.109 6.738 -1.608 179 HA LYS 50 HA LYS 50 -0.305 6.907 1.084 180 HB2 LYS 50 HB2 LYS 50 0.985 8.794 0.467 181 HB3 LYS 50 HB3 LYS 50 1.060 7.593 -0.844 182 HG2 LYS 50 HG2 LYS 50 -0.559 8.884 -2.148 183 HG3 LYS 50 HG3 LYS 50 -0.699 10.068 -0.827 184 HD2 LYS 50 HD2 LYS 50 1.689 10.621 -1.071 185 HD3 LYS 50 HD3 LYS 50 1.824 9.444 -2.398 186 HE2 LYS 50 HE2 LYS 50 0.132 10.725 -3.673 187 HE3 LYS 50 HE3 LYS 50 0.076 11.924 -2.361 188 HZ1 LYS 50 HZ1 LYS 50 1.523 12.626 -4.145 189 HZ2 LYS 50 HZ2 LYS 50 2.399 12.382 -2.767 190 HZ3 LYS 50 HZ3 LYS 50 2.451 11.271 -3.985 191 H ARG 51 H ARG 51 -2.598 8.805 -0.822 192 HA ARG 51 HA ARG 51 -3.208 10.778 1.046 193 HB2 ARG 51 HB2 ARG 51 -3.908 10.914 -1.216 194 HB3 ARG 51 HB3 ARG 51 -5.040 9.564 -0.957 195 HG2 ARG 51 HG2 ARG 51 -6.343 10.890 0.593 196 HG3 ARG 51 HG3 ARG 51 -5.162 12.219 0.503 197 HD2 ARG 51 HD2 ARG 51 -5.732 12.615 -1.784 198 HD3 ARG 51 HD3 ARG 51 -6.840 11.223 -1.777 199 HE ARG 51 HE ARG 51 -7.767 13.178 0.179 200 HH11 ARG 51 HH11 ARG 51 -7.527 12.758 -3.274 201 HH12 ARG 51 HH12 ARG 51 -8.937 13.773 -3.503 202 HH21 ARG 51 HH21 ARG 51 -9.377 14.349 -0.066 203 HH22 ARG 51 HH22 ARG 51 -9.993 14.682 -1.674 204 H ALA 52 H ALA 52 -4.271 7.447 0.817 205 HA ALA 52 HA ALA 52 -6.307 7.705 2.828 206 HB1 ALA 52 HB1 ALA 52 -6.209 5.993 0.924 207 HB2 ALA 52 HB2 ALA 52 -5.082 5.110 1.955 208 HB3 ALA 52 HB3 ALA 52 -6.724 5.429 2.514 209 H MET 53 H MET 53 -3.031 6.330 2.707 210 HA MET 53 HA MET 53 -3.043 5.467 5.416 211 HB2 MET 53 HB2 MET 53 -0.771 5.978 3.511 212 HB3 MET 53 HB3 MET 53 -0.607 5.204 5.106 213 HG2 MET 53 HG2 MET 53 -2.239 4.148 2.775 214 HG3 MET 53 HG3 MET 53 -0.635 3.557 3.268 215 HE1 MET 53 HE1 MET 53 -3.359 0.752 4.249 216 HE2 MET 53 HE2 MET 53 -3.549 1.937 2.933 217 HE3 MET 53 HE3 MET 53 -1.986 1.120 3.176 218 H GLY 54 H GLY 54 -2.711 8.517 3.983 219 HA2 GLY 54 HA2 GLY 54 -2.293 10.586 4.911 220 HA3 GLY 54 HA3 GLY 54 -2.144 9.800 6.476 221 H ILE 55 H ILE 55 -0.220 8.824 3.733 222 HA ILE 55 HA ILE 55 2.200 9.059 5.153 223 HB ILE 55 HB ILE 55 1.682 8.739 2.185 224 HG12 ILE 55 HG12 ILE 55 2.626 6.762 4.242 225 HG13 ILE 55 HG13 ILE 55 0.937 6.957 3.722 226 HG21 ILE 55 HG21 ILE 55 4.061 8.094 2.019 227 HG22 ILE 55 HG22 ILE 55 3.893 9.780 2.558 228 HG23 ILE 55 HG23 ILE 55 4.294 8.506 3.733 229 HD11 ILE 55 HD11 ILE 55 2.015 5.076 2.555 230 HD12 ILE 55 HD12 ILE 55 1.578 6.372 1.417 231 HD13 ILE 55 HD13 ILE 55 3.268 6.177 1.936 232 H THR 56 H THR 56 3.661 10.655 5.333 233 HA THR 56 HA THR 56 3.088 13.173 3.916 234 HB THR 56 HB THR 56 4.160 14.369 5.757 235 HG1 THR 56 HG1 THR 56 4.474 11.763 6.898 236 HG21 THR 56 HG21 THR 56 2.515 13.877 7.533 237 HG22 THR 56 HG22 THR 56 1.743 13.881 5.927 238 HG23 THR 56 HG23 THR 56 2.112 12.339 6.734 239 HA PRO 57 HA PRO 57 7.033 13.241 1.977 240 HB2 PRO 57 HB2 PRO 57 7.824 15.848 2.275 241 HB3 PRO 57 HB3 PRO 57 6.585 15.327 1.125 242 HG2 PRO 57 HG2 PRO 57 6.235 16.482 3.913 243 HG3 PRO 57 HG3 PRO 57 5.376 16.897 2.422 244 HD2 PRO 57 HD2 PRO 57 4.233 15.234 4.241 245 HD3 PRO 57 HD3 PRO 57 4.003 14.946 2.512 246 H HIS 58 H HIS 58 6.721 13.810 5.316 247 HA HIS 58 HA HIS 58 9.559 14.009 5.846 248 HB2 HIS 58 HB2 HIS 58 7.169 13.717 7.700 249 HB3 HIS 58 HB3 HIS 58 8.853 13.851 8.260 250 HD1 HIS 58 HD1 HIS 58 10.098 16.134 7.255 251 HD2 HIS 58 HD2 HIS 58 5.894 16.212 7.532 252 HE1 HIS 58 HE1 HIS 58 9.470 18.495 7.318 253 H ASN 59 H ASN 59 7.065 11.549 5.818 254 HA ASN 59 HA ASN 59 9.144 9.538 6.386 255 HB2 ASN 59 HB2 ASN 59 7.425 8.100 7.538 256 HB3 ASN 59 HB3 ASN 59 7.557 9.828 7.946 257 HD21 ASN 59 HD21 ASN 59 5.366 8.329 8.650 258 HD22 ASN 59 HD22 ASN 59 3.985 8.869 7.754 259 H TYR 60 H TYR 60 7.960 10.877 3.857 260 HA TYR 60 HA TYR 60 6.744 8.780 2.372 261 HB2 TYR 60 HB2 TYR 60 6.496 11.157 1.823 262 HB3 TYR 60 HB3 TYR 60 8.220 11.214 1.384 263 HD1 TYR 60 HD1 TYR 60 4.991 9.558 0.491 264 HD2 TYR 60 HD2 TYR 60 8.901 10.666 -0.803 265 HE1 TYR 60 HE1 TYR 60 4.421 8.850 -1.814 266 HE2 TYR 60 HE2 TYR 60 8.349 9.964 -3.107 267 HH TYR 60 HH TYR 60 6.764 9.097 -4.493 268 H TRP 61 H TRP 61 10.053 9.810 2.902 269 HA TRP 61 HA TRP 61 11.248 8.110 0.968 270 HB2 TRP 61 HB2 TRP 61 12.321 9.464 3.459 271 HB3 TRP 61 HB3 TRP 61 13.337 8.440 2.414 272 HD1 TRP 61 HD1 TRP 61 12.169 11.786 2.873 273 HE1 TRP 61 HE1 TRP 61 12.860 13.362 0.791 274 HE3 TRP 61 HE3 TRP 61 13.539 8.135 -0.387 275 HZ2 TRP 61 HZ2 TRP 61 13.823 12.937 -1.764 276 HZ3 TRP 61 HZ3 TRP 61 14.324 8.715 -2.599 277 HH2 TRP 61 HH2 TRP 61 14.490 11.054 -3.335 278 H GLN 62 H GLN 62 10.651 7.759 4.452 279 HA GLN 62 HA GLN 62 11.775 5.184 4.698 280 HB2 GLN 62 HB2 GLN 62 9.683 6.626 6.310 281 HB3 GLN 62 HB3 GLN 62 10.332 5.030 6.750 282 HG2 GLN 62 HG2 GLN 62 12.740 6.254 6.950 283 HG3 GLN 62 HG3 GLN 62 11.675 7.563 6.386 284 HE21 GLN 62 HE21 GLN 62 13.273 7.704 8.710 285 HE22 GLN 62 HE22 GLN 62 12.226 7.793 10.088 286 H TRP 63 H TRP 63 8.578 6.307 3.791 287 HA TRP 63 HA TRP 63 7.403 3.691 3.758 288 HB2 TRP 63 HB2 TRP 63 6.561 6.437 3.092 289 HB3 TRP 63 HB3 TRP 63 5.796 5.173 2.133 290 HD1 TRP 63 HD1 TRP 63 5.838 6.673 5.608 291 HE1 TRP 63 HE1 TRP 63 3.981 5.590 7.023 292 HE3 TRP 63 HE3 TRP 63 4.492 2.904 2.427 293 HZ2 TRP 63 HZ2 TRP 63 2.183 3.423 6.817 294 HZ3 TRP 63 HZ3 TRP 63 2.696 1.370 3.111 295 HH2 TRP 63 HH2 TRP 63 1.566 1.625 5.260 296 H ALA 64 H ALA 64 9.067 5.741 1.460 297 HA ALA 64 HA ALA 64 8.383 4.272 -0.872 298 HB1 ALA 64 HB1 ALA 64 10.338 6.390 -0.184 299 HB2 ALA 64 HB2 ALA 64 10.649 5.436 -1.633 300 HB3 ALA 64 HB3 ALA 64 9.138 6.329 -1.475 301 H SER 65 H SER 65 11.294 4.290 1.179 302 HA SER 65 HA SER 65 12.579 2.174 -0.205 303 HB2 SER 65 HB2 SER 65 14.151 2.147 1.612 304 HB3 SER 65 HB3 SER 65 13.765 3.828 1.178 305 HG SER 65 HG SER 65 13.759 3.472 3.440 306 H ARG 66 H ARG 66 9.968 2.229 1.940 307 HA ARG 66 HA ARG 66 10.482 -0.374 3.113 308 HB2 ARG 66 HB2 ARG 66 9.568 1.221 4.546 309 HB3 ARG 66 HB3 ARG 66 8.197 1.496 3.446 310 HG2 ARG 66 HG2 ARG 66 7.422 0.146 5.273 311 HG3 ARG 66 HG3 ARG 66 7.505 -0.878 3.818 312 HD2 ARG 66 HD2 ARG 66 8.279 -2.094 5.699 313 HD3 ARG 66 HD3 ARG 66 9.644 -1.757 4.611 314 HE ARG 66 HE ARG 66 9.628 0.174 6.815 315 HH11 ARG 66 HH11 ARG 66 10.382 -3.160 6.128 316 HH12 ARG 66 HH12 ARG 66 11.574 -3.162 7.413 317 HH21 ARG 66 HH21 ARG 66 10.983 0.186 8.296 318 HH22 ARG 66 HH22 ARG 66 11.917 -1.255 8.651 319 H THR 67 H THR 67 8.165 1.081 0.849 320 HA THR 67 HA THR 67 6.830 -1.476 0.494 321 HB THR 67 HB THR 67 5.248 -0.223 -0.952 322 HG1 THR 67 HG1 THR 67 6.902 2.005 -0.248 323 HG21 THR 67 HG21 THR 67 4.293 1.187 0.836 324 HG22 THR 67 HG22 THR 67 4.853 -0.373 1.483 325 HG23 THR 67 HG23 THR 67 5.827 1.094 1.731 326 H ASN 68 H ASN 68 9.619 -0.652 -0.577 327 HA ASN 68 HA ASN 68 10.888 -0.884 -2.451 328 HB2 ASN 68 HB2 ASN 68 9.664 -3.338 -2.377 329 HB3 ASN 68 HB3 ASN 68 8.758 -2.366 -3.561 330 HD21 ASN 68 HD21 ASN 68 9.447 -4.277 -4.867 331 HD22 ASN 68 HD22 ASN 68 10.951 -4.147 -5.718 332 H ASN 69 H ASN 69 9.874 1.451 -2.630 333 HA ASN 69 HA ASN 69 9.279 3.142 -4.030 334 HB2 ASN 69 HB2 ASN 69 10.746 1.586 -5.814 335 HB3 ASN 69 HB3 ASN 69 9.017 1.342 -6.164 336 HD21 ASN 69 HD21 ASN 69 9.705 2.189 -8.262 337 HD22 ASN 69 HD22 ASN 69 9.703 3.905 -8.498 338 H PHE 70 H PHE 70 7.251 1.597 -2.725 339 HA PHE 70 HA PHE 70 5.012 1.172 -2.733 340 HB2 PHE 70 HB2 PHE 70 5.019 3.487 -4.699 341 HB3 PHE 70 HB3 PHE 70 3.604 2.892 -3.800 342 HD1 PHE 70 HD1 PHE 70 3.568 3.083 -1.320 343 HD2 PHE 70 HD2 PHE 70 6.521 4.990 -3.747 344 HE1 PHE 70 HE1 PHE 70 4.095 4.626 0.539 345 HE2 PHE 70 HE2 PHE 70 7.053 6.534 -1.890 346 HZ PHE 70 HZ PHE 70 5.840 6.351 0.253 347 H LYS 71 H LYS 71 6.492 -0.482 -4.465 348 HA LYS 71 HA LYS 71 5.062 -0.736 -6.952 349 HB2 LYS 71 HB2 LYS 71 7.349 -1.400 -6.989 350 HB3 LYS 71 HB3 LYS 71 7.145 -2.427 -5.576 351 HG2 LYS 71 HG2 LYS 71 7.343 -3.689 -7.686 352 HG3 LYS 71 HG3 LYS 71 5.826 -3.992 -6.833 353 HD2 LYS 71 HD2 LYS 71 5.442 -3.726 -9.227 354 HD3 LYS 71 HD3 LYS 71 4.680 -2.417 -8.321 355 HE2 LYS 71 HE2 LYS 71 5.784 -1.543 -10.295 356 HE3 LYS 71 HE3 LYS 71 6.591 -0.966 -8.840 357 HZ1 LYS 71 HZ1 LYS 71 8.278 -2.677 -9.149 358 HZ2 LYS 71 HZ2 LYS 71 8.191 -1.660 -10.498 359 HZ3 LYS 71 HZ3 LYS 71 7.509 -3.207 -10.559 360 H LEU 72 H LEU 72 2.900 -1.012 -6.320 361 HA LEU 72 HA LEU 72 2.310 -3.571 -4.984 362 HB2 LEU 72 HB2 LEU 72 0.493 -1.191 -4.863 363 HB3 LEU 72 HB3 LEU 72 0.516 -2.616 -3.826 364 HG LEU 72 HG LEU 72 2.647 -0.481 -3.833 365 HD11 LEU 72 HD11 LEU 72 0.444 0.368 -3.091 366 HD12 LEU 72 HD12 LEU 72 1.654 0.354 -1.809 367 HD13 LEU 72 HD13 LEU 72 0.408 -0.894 -1.859 368 HD21 LEU 72 HD21 LEU 72 2.282 -2.184 -1.489 369 HD22 LEU 72 HD22 LEU 72 3.758 -1.712 -2.331 370 HD23 LEU 72 HD23 LEU 72 2.791 -3.060 -2.932 371 H LEU 73 H LEU 73 0.510 -4.738 -5.713 372 HA LEU 73 HA LEU 73 -0.692 -3.824 -8.232 373 HB2 LEU 73 HB2 LEU 73 -0.029 -6.703 -7.974 374 HB3 LEU 73 HB3 LEU 73 -0.123 -5.689 -9.413 375 HG LEU 73 HG LEU 73 2.064 -4.624 -8.358 376 HD11 LEU 73 HD11 LEU 73 1.584 -6.839 -6.659 377 HD12 LEU 73 HD12 LEU 73 2.951 -5.726 -6.655 378 HD13 LEU 73 HD13 LEU 73 3.014 -7.197 -7.625 379 HD21 LEU 73 HD21 LEU 73 1.964 -7.230 -9.875 380 HD22 LEU 73 HD22 LEU 73 3.377 -6.182 -9.741 381 HD23 LEU 73 HD23 LEU 73 1.927 -5.607 -10.568 382 H THR 74 H THR 74 -2.782 -4.521 -8.619 383 HA THR 74 HA THR 74 -4.036 -6.624 -7.197 384 HB THR 74 HB THR 74 -3.969 -5.000 -5.332 385 HG1 THR 74 HG1 THR 74 -5.755 -6.460 -5.551 386 HG21 THR 74 HG21 THR 74 -5.348 -2.957 -5.471 387 HG22 THR 74 HG22 THR 74 -4.038 -2.927 -6.675 388 HG23 THR 74 HG23 THR 74 -5.701 -3.310 -7.179 389 H ASP 75 H ASP 75 -6.128 -7.086 -8.015 390 HA ASP 75 HA ASP 75 -7.513 -4.901 -9.366 391 HB2 ASP 75 HB2 ASP 75 -6.456 -6.356 -11.203 392 HB3 ASP 75 HB3 ASP 75 -7.374 -7.652 -10.398 393 H GLY 76 H GLY 76 -9.348 -4.627 -8.293 394 HA2 GLY 76 HA2 GLY 76 -11.153 -5.055 -6.935 395 HA3 GLY 76 HA3 GLY 76 -11.359 -6.481 -7.940 396 H GLU 77 H GLU 77 -8.447 -6.132 -6.101 397 HA GLU 77 HA GLU 77 -9.416 -8.048 -4.109 398 HB2 GLU 77 HB2 GLU 77 -7.056 -8.465 -5.927 399 HB3 GLU 77 HB3 GLU 77 -7.373 -9.422 -4.460 400 HG2 GLU 77 HG2 GLU 77 -9.557 -10.210 -5.510 401 HG3 GLU 77 HG3 GLU 77 -9.108 -9.173 -6.881 402 H TRP 78 H TRP 78 -7.249 -8.633 -2.720 403 HA TRP 78 HA TRP 78 -6.658 -6.255 -1.313 404 HB2 TRP 78 HB2 TRP 78 -5.299 -7.612 0.112 405 HB3 TRP 78 HB3 TRP 78 -6.690 -8.588 -0.356 406 HD1 TRP 78 HD1 TRP 78 -5.628 -9.581 -3.195 407 HE1 TRP 78 HE1 TRP 78 -3.718 -11.304 -3.292 408 HE3 TRP 78 HE3 TRP 78 -3.632 -8.844 1.453 409 HZ2 TRP 78 HZ2 TRP 78 -1.642 -12.230 -1.619 410 HZ3 TRP 78 HZ3 TRP 78 -1.687 -10.189 2.129 411 HH2 TRP 78 HH2 TRP 78 -0.714 -11.847 0.623 412 H VAL 79 H VAL 79 -4.734 -5.086 -1.126 413 HA VAL 79 HA VAL 79 -2.934 -5.248 -3.414 414 HB VAL 79 HB VAL 79 -3.099 -3.211 -1.172 415 HG11 VAL 79 HG11 VAL 79 -1.532 -1.887 -2.553 416 HG12 VAL 79 HG12 VAL 79 -0.797 -3.428 -2.049 417 HG13 VAL 79 HG13 VAL 79 -1.411 -3.235 -3.708 418 HG21 VAL 79 HG21 VAL 79 -3.968 -1.722 -2.904 419 HG22 VAL 79 HG22 VAL 79 -3.935 -3.065 -4.072 420 HG23 VAL 79 HG23 VAL 79 -5.012 -3.142 -2.657 421 H TRP 80 H TRP 80 -0.978 -6.149 -3.336 422 HA TRP 80 HA TRP 80 0.341 -6.417 -0.720 423 HB2 TRP 80 HB2 TRP 80 1.219 -8.616 -1.353 424 HB3 TRP 80 HB3 TRP 80 -0.556 -8.630 -1.471 425 HD1 TRP 80 HD1 TRP 80 2.540 -8.898 -3.434 426 HE1 TRP 80 HE1 TRP 80 1.966 -9.710 -5.948 427 HE3 TRP 80 HE3 TRP 80 -2.519 -8.456 -3.212 428 HZ2 TRP 80 HZ2 TRP 80 -0.343 -10.050 -7.426 429 HZ3 TRP 80 HZ3 TRP 80 -3.872 -9.013 -5.137 430 HH2 TRP 80 HH2 TRP 80 -2.865 -9.803 -7.234 431 H VAL 81 H VAL 81 2.756 -6.942 -1.058 432 HA VAL 81 HA VAL 81 3.793 -4.951 -2.923 433 HB VAL 81 HB VAL 81 5.191 -6.455 -0.690 434 HG11 VAL 81 HG11 VAL 81 7.009 -4.815 -1.039 435 HG12 VAL 81 HG12 VAL 81 6.743 -5.794 -2.499 436 HG13 VAL 81 HG13 VAL 81 6.124 -4.127 -2.420 437 HG21 VAL 81 HG21 VAL 81 5.135 -4.317 0.489 438 HG22 VAL 81 HG22 VAL 81 4.184 -3.611 -0.839 439 HG23 VAL 81 HG23 VAL 81 3.504 -4.931 0.142 440 H GLU 82 H GLU 82 4.782 -5.456 -4.764 441 HA GLU 82 HA GLU 82 4.817 -8.041 -5.803 442 HB2 GLU 82 HB2 GLU 82 4.848 -6.006 -7.151 443 HB3 GLU 82 HB3 GLU 82 6.518 -5.694 -6.616 444 HG2 GLU 82 HG2 GLU 82 7.241 -7.837 -7.788 445 HG3 GLU 82 HG3 GLU 82 5.523 -8.025 -8.201 446 H GLY 83 H GLY 83 6.231 -9.696 -5.746 447 HA2 GLY 83 HA2 GLY 83 8.362 -10.676 -5.746 448 HA3 GLY 83 HA3 GLY 83 9.032 -9.169 -5.137 449 H TYR 84 H TYR 84 6.787 -9.201 -3.059 450 HA TYR 84 HA TYR 84 8.416 -10.687 -1.134 451 HB2 TYR 84 HB2 TYR 84 6.414 -8.463 -0.803 452 HB3 TYR 84 HB3 TYR 84 7.170 -9.326 0.557 453 HD1 TYR 84 HD1 TYR 84 9.780 -9.479 -1.476 454 HD2 TYR 84 HD2 TYR 84 7.466 -6.422 0.393 455 HE1 TYR 84 HE1 TYR 84 11.725 -7.949 -1.585 456 HE2 TYR 84 HE2 TYR 84 9.398 -4.882 0.291 457 HH TYR 84 HH TYR 84 11.568 -4.609 -0.344 458 H GLU 85 H GLU 85 6.472 -12.024 -2.845 459 HA GLU 85 HA GLU 85 4.192 -12.787 -1.387 460 HB2 GLU 85 HB2 GLU 85 5.832 -14.233 -3.448 461 HB3 GLU 85 HB3 GLU 85 4.333 -14.894 -2.753 462 HG2 GLU 85 HG2 GLU 85 3.056 -12.924 -3.699 463 HG3 GLU 85 HG3 GLU 85 4.639 -12.317 -4.236 464 H GLU 86 H GLU 86 7.541 -13.694 -1.126 465 HA GLU 86 HA GLU 86 7.158 -15.921 0.608 466 HB2 GLU 86 HB2 GLU 86 9.516 -15.601 1.207 467 HB3 GLU 86 HB3 GLU 86 9.222 -15.701 -0.545 468 HG2 GLU 86 HG2 GLU 86 9.380 -12.928 0.672 469 HG3 GLU 86 HG3 GLU 86 10.826 -13.957 0.559 470 H HIS 87 H HIS 87 6.769 -12.581 1.010 471 HA HIS 87 HA HIS 87 7.109 -12.731 3.917 472 HB2 HIS 87 HB2 HIS 87 6.672 -10.325 2.112 473 HB3 HIS 87 HB3 HIS 87 6.858 -10.253 3.880 474 HD1 HIS 87 HD1 HIS 87 8.793 -8.660 2.300 475 HD2 HIS 87 HD2 HIS 87 9.564 -12.683 3.289 476 HE1 HIS 87 HE1 HIS 87 11.210 -8.955 2.089 477 H ILE 88 H ILE 88 4.853 -13.867 2.223 478 HA ILE 88 HA ILE 88 2.608 -12.437 3.473 479 HB ILE 88 HB ILE 88 2.662 -14.357 1.128 480 HG12 ILE 88 HG12 ILE 88 1.807 -11.481 1.303 481 HG13 ILE 88 HG13 ILE 88 3.411 -12.036 0.772 482 HG21 ILE 88 HG21 ILE 88 0.225 -13.973 0.986 483 HG22 ILE 88 HG22 ILE 88 0.659 -14.762 2.520 484 HG23 ILE 88 HG23 ILE 88 0.287 -13.022 2.489 485 HD11 ILE 88 HD11 ILE 88 1.962 -11.532 -1.155 486 HD12 ILE 88 HD12 ILE 88 2.369 -13.263 -1.094 487 HD13 ILE 88 HD13 ILE 88 0.766 -12.707 -0.562 488 H GLY 89 H GLY 89 1.152 -13.488 4.787 489 HA2 GLY 89 HA2 GLY 89 0.260 -15.165 6.099 490 HA3 GLY 89 HA3 GLY 89 1.178 -16.328 5.153 491 H LYS 90 H LYS 90 2.991 -13.756 6.495 492 HA LYS 90 HA LYS 90 4.377 -15.529 8.283 493 HB2 LYS 90 HB2 LYS 90 4.616 -12.569 7.794 494 HB3 LYS 90 HB3 LYS 90 5.664 -13.493 8.897 495 HG2 LYS 90 HG2 LYS 90 6.502 -14.831 7.040 496 HG3 LYS 90 HG3 LYS 90 5.392 -14.008 5.917 497 HD2 LYS 90 HD2 LYS 90 7.588 -13.036 5.669 498 HD3 LYS 90 HD3 LYS 90 6.523 -11.849 6.461 499 HE2 LYS 90 HE2 LYS 90 7.441 -12.483 8.650 500 HE3 LYS 90 HE3 LYS 90 8.503 -13.673 7.863 501 HZ1 LYS 90 HZ1 LYS 90 9.659 -11.620 8.330 502 HZ2 LYS 90 HZ2 LYS 90 9.564 -11.858 6.700 503 HZ3 LYS 90 HZ3 LYS 90 8.580 -10.755 7.431 504 H GLN 91 H GLN 91 4.915 -14.490 10.552 505 HA GLN 91 HA GLN 91 2.317 -13.925 11.817 506 HB2 GLN 91 HB2 GLN 91 4.785 -15.202 12.980 507 HB3 GLN 91 HB3 GLN 91 3.281 -14.861 13.869 508 HG2 GLN 91 HG2 GLN 91 2.085 -16.648 12.254 509 HG3 GLN 91 HG3 GLN 91 3.715 -16.532 11.549 510 HE21 GLN 91 HE21 GLN 91 2.390 -18.928 12.421 511 HE22 GLN 91 HE22 GLN 91 3.329 -19.597 13.715 512 H LEU 92 H LEU 92 3.397 -11.721 10.824 513 HA LEU 92 HA LEU 92 4.904 -10.448 13.006 514 HB2 LEU 92 HB2 LEU 92 5.451 -8.711 11.302 515 HB3 LEU 92 HB3 LEU 92 6.103 -10.313 10.965 516 HG LEU 92 HG LEU 92 3.795 -10.400 9.549 517 HD11 LEU 92 HD11 LEU 92 2.982 -8.266 9.710 518 HD12 LEU 92 HD12 LEU 92 3.995 -8.115 8.275 519 HD13 LEU 92 HD13 LEU 92 4.588 -7.545 9.835 520 HD21 LEU 92 HD21 LEU 92 6.531 -9.443 8.743 521 HD22 LEU 92 HD22 LEU 92 5.251 -9.795 7.581 522 HD23 LEU 92 HD23 LEU 92 5.870 -11.075 8.625 523 HA PRO 93 HA PRO 93 1.558 -7.699 13.914 524 HB2 PRO 93 HB2 PRO 93 2.884 -5.427 14.549 525 HB3 PRO 93 HB3 PRO 93 2.879 -6.849 15.597 526 HG2 PRO 93 HG2 PRO 93 4.967 -5.945 13.645 527 HG3 PRO 93 HG3 PRO 93 5.173 -6.542 15.302 528 HD2 PRO 93 HD2 PRO 93 5.581 -8.110 13.142 529 HD3 PRO 93 HD3 PRO 93 4.941 -8.749 14.670 530 H LEU 94 H LEU 94 0.741 -5.432 13.381 531 HA LEU 94 HA LEU 94 0.668 -5.106 10.557 532 HB2 LEU 94 HB2 LEU 94 -0.238 -3.497 12.830 533 HB3 LEU 94 HB3 LEU 94 -0.670 -2.968 11.187 534 HG LEU 94 HG LEU 94 -1.498 -5.570 12.534 535 HD11 LEU 94 HD11 LEU 94 -3.807 -4.600 12.387 536 HD12 LEU 94 HD12 LEU 94 -2.734 -3.569 13.362 537 HD13 LEU 94 HD13 LEU 94 -3.123 -3.116 11.685 538 HD21 LEU 94 HD21 LEU 94 -2.867 -5.953 10.513 539 HD22 LEU 94 HD22 LEU 94 -2.156 -4.496 9.777 540 HD23 LEU 94 HD23 LEU 94 -1.123 -5.893 10.159 541 H ASN 95 H ASN 95 2.663 -3.827 13.053 542 HA ASN 95 HA ASN 95 3.517 -1.416 11.990 543 HB2 ASN 95 HB2 ASN 95 5.259 -3.345 13.680 544 HB3 ASN 95 HB3 ASN 95 5.528 -1.764 12.908 545 HD21 ASN 95 HD21 ASN 95 5.516 -2.563 15.734 546 HD22 ASN 95 HD22 ASN 95 4.352 -1.538 16.506 547 H GLN 96 H GLN 96 4.283 -4.679 11.021 548 HA GLN 96 HA GLN 96 5.967 -3.592 8.863 549 HB2 GLN 96 HB2 GLN 96 6.299 -6.189 10.354 550 HB3 GLN 96 HB3 GLN 96 7.214 -5.726 8.901 551 HG2 GLN 96 HG2 GLN 96 8.125 -3.642 10.451 552 HG3 GLN 96 HG3 GLN 96 7.110 -4.602 11.553 553 HE21 GLN 96 HE21 GLN 96 10.096 -4.515 9.665 554 HE22 GLN 96 HE22 GLN 96 10.893 -5.803 10.506 555 H ALA 97 H ALA 97 3.095 -4.155 8.909 556 HA ALA 97 HA ALA 97 2.624 -6.566 7.448 557 HB1 ALA 97 HB1 ALA 97 0.536 -6.115 8.041 558 HB2 ALA 97 HB2 ALA 97 1.050 -4.551 8.673 559 HB3 ALA 97 HB3 ALA 97 0.535 -4.696 6.992 560 H ARG 98 H ARG 98 2.865 -6.937 5.342 561 HA ARG 98 HA ARG 98 3.489 -4.636 3.617 562 HB2 ARG 98 HB2 ARG 98 4.437 -7.444 3.428 563 HB3 ARG 98 HB3 ARG 98 4.664 -6.209 2.168 564 HG2 ARG 98 HG2 ARG 98 5.933 -4.824 3.756 565 HG3 ARG 98 HG3 ARG 98 5.712 -6.066 5.013 566 HD2 ARG 98 HD2 ARG 98 6.951 -7.642 3.603 567 HD3 ARG 98 HD3 ARG 98 7.250 -6.321 2.449 568 HE ARG 98 HE ARG 98 8.718 -6.653 5.010 569 HH11 ARG 98 HH11 ARG 98 7.872 -4.448 2.445 570 HH12 ARG 98 HH12 ARG 98 9.224 -3.420 2.874 571 HH21 ARG 98 HH21 ARG 98 10.275 -5.490 5.509 572 HH22 ARG 98 HH22 ARG 98 10.597 -4.013 4.621 573 H ALA 99 H ALA 99 0.816 -5.216 4.032 574 HA ALA 99 HA ALA 99 -0.042 -5.237 1.352 575 HB1 ALA 99 HB1 ALA 99 0.038 -7.500 1.096 576 HB2 ALA 99 HB2 ALA 99 -0.218 -7.816 2.813 577 HB3 ALA 99 HB3 ALA 99 -1.576 -7.351 1.790 578 H TRP 100 H TRP 100 -2.328 -4.854 1.133 579 HA TRP 100 HA TRP 100 -3.886 -4.552 3.568 580 HB2 TRP 100 HB2 TRP 100 -3.422 -2.199 1.724 581 HB3 TRP 100 HB3 TRP 100 -4.435 -2.217 3.164 582 HD1 TRP 100 HD1 TRP 100 -3.275 -1.773 5.458 583 HE1 TRP 100 HE1 TRP 100 -0.866 -1.204 6.165 584 HE3 TRP 100 HE3 TRP 100 -0.888 -2.716 1.037 585 HZ2 TRP 100 HZ2 TRP 100 1.706 -1.161 5.002 586 HZ3 TRP 100 HZ3 TRP 100 1.547 -2.385 0.917 587 HH2 TRP 100 HH2 TRP 100 2.816 -1.624 2.861 588 H SER 101 H SER 101 -6.166 -3.984 3.094 589 HA SER 101 HA SER 101 -6.989 -5.170 0.540 590 HB2 SER 101 HB2 SER 101 -7.895 -6.294 2.439 591 HB3 SER 101 HB3 SER 101 -8.462 -4.760 3.137 592 HG SER 101 HG SER 101 -10.128 -5.937 2.094 593 H TRP 102 H TRP 102 -8.414 -4.144 -0.847 594 HA TRP 102 HA TRP 102 -8.530 -1.374 -1.021 595 HB2 TRP 102 HB2 TRP 102 -9.983 -3.635 -2.244 596 HB3 TRP 102 HB3 TRP 102 -10.830 -2.091 -2.274 597 HD1 TRP 102 HD1 TRP 102 -8.715 -4.015 -4.421 598 HE1 TRP 102 HE1 TRP 102 -7.419 -2.550 -6.092 599 HE3 TRP 102 HE3 TRP 102 -9.353 0.533 -2.175 600 HZ2 TRP 102 HZ2 TRP 102 -6.754 0.175 -6.416 601 HZ3 TRP 102 HZ3 TRP 102 -8.355 2.519 -3.231 602 HH2 TRP 102 HH2 TRP 102 -7.082 2.341 -5.306 603 H GLU 103 H GLU 103 -10.507 -3.601 0.805 604 HA GLU 103 HA GLU 103 -12.596 -1.786 1.441 605 HB2 GLU 103 HB2 GLU 103 -11.607 -4.276 2.806 606 HB3 GLU 103 HB3 GLU 103 -13.036 -3.357 3.338 607 HG2 GLU 103 HG2 GLU 103 -12.736 -4.802 0.636 608 HG3 GLU 103 HG3 GLU 103 -13.687 -5.239 2.076 609 H PHE 104 H PHE 104 -9.417 -2.362 2.739 610 HA PHE 104 HA PHE 104 -9.827 -0.747 5.089 611 HB2 PHE 104 HB2 PHE 104 -8.158 -2.566 5.105 612 HB3 PHE 104 HB3 PHE 104 -7.237 -1.724 3.839 613 HD1 PHE 104 HD1 PHE 104 -8.434 -1.455 7.337 614 HD2 PHE 104 HD2 PHE 104 -5.687 -0.084 4.366 615 HE1 PHE 104 HE1 PHE 104 -7.169 -0.232 9.074 616 HE2 PHE 104 HE2 PHE 104 -4.418 1.138 6.100 617 HZ PHE 104 HZ PHE 104 -5.161 1.066 8.455 618 H ILE 105 H ILE 105 -8.331 -0.332 1.910 619 HA ILE 105 HA ILE 105 -7.377 2.283 2.278 620 HB ILE 105 HB ILE 105 -8.255 0.839 -0.236 621 HG12 ILE 105 HG12 ILE 105 -5.504 1.544 0.738 622 HG13 ILE 105 HG13 ILE 105 -6.316 0.001 1.085 623 HG21 ILE 105 HG21 ILE 105 -7.078 2.629 -1.471 624 HG22 ILE 105 HG22 ILE 105 -8.455 3.283 -0.555 625 HG23 ILE 105 HG23 ILE 105 -6.798 3.499 0.055 626 HD11 ILE 105 HD11 ILE 105 -4.778 -0.216 -0.827 627 HD12 ILE 105 HD12 ILE 105 -6.466 -0.465 -1.330 628 HD13 ILE 105 HD13 ILE 105 -5.651 1.078 -1.677 629 H LYS 106 H LYS 106 -10.425 1.146 0.822 630 HA LYS 106 HA LYS 106 -11.474 3.688 0.272 631 HB2 LYS 106 HB2 LYS 106 -12.761 1.015 0.709 632 HB3 LYS 106 HB3 LYS 106 -13.704 2.476 0.324 633 HG2 LYS 106 HG2 LYS 106 -12.574 2.714 -1.801 634 HG3 LYS 106 HG3 LYS 106 -11.467 1.378 -1.408 635 HD2 LYS 106 HD2 LYS 106 -13.189 0.573 -2.918 636 HD3 LYS 106 HD3 LYS 106 -13.411 -0.165 -1.313 637 HE2 LYS 106 HE2 LYS 106 -15.162 1.458 -0.787 638 HE3 LYS 106 HE3 LYS 106 -14.918 2.252 -2.360 639 HZ1 LYS 106 HZ1 LYS 106 -16.793 0.752 -2.400 640 HZ2 LYS 106 HZ2 LYS 106 -15.615 0.213 -3.423 641 HZ3 LYS 106 HZ3 LYS 106 -15.841 -0.522 -1.964 642 H ASN 107 H ASN 107 -11.987 1.533 3.054 643 HA ASN 107 HA ASN 107 -13.850 3.156 4.385 644 HB2 ASN 107 HB2 ASN 107 -12.044 0.994 5.679 645 HB3 ASN 107 HB3 ASN 107 -13.251 2.151 6.290 646 HD21 ASN 107 HD21 ASN 107 -13.198 -0.809 6.178 647 HD22 ASN 107 HD22 ASN 107 -14.661 -1.260 5.368 648 H ARG 108 H ARG 108 -10.322 2.984 4.602 649 HA ARG 108 HA ARG 108 -9.993 4.825 6.698 650 HB2 ARG 108 HB2 ARG 108 -8.245 3.371 6.099 651 HB3 ARG 108 HB3 ARG 108 -8.111 4.140 4.500 652 HG2 ARG 108 HG2 ARG 108 -6.321 4.920 5.946 653 HG3 ARG 108 HG3 ARG 108 -7.447 6.253 5.591 654 HD2 ARG 108 HD2 ARG 108 -8.451 6.014 7.754 655 HD3 ARG 108 HD3 ARG 108 -7.400 4.623 8.111 656 HE ARG 108 HE ARG 108 -5.624 6.820 7.711 657 HH11 ARG 108 HH11 ARG 108 -8.304 6.172 9.846 658 HH12 ARG 108 HH12 ARG 108 -7.571 7.176 11.080 659 HH21 ARG 108 HH21 ARG 108 -4.776 7.979 9.112 660 HH22 ARG 108 HH22 ARG 108 -5.559 8.208 10.663 661 H LEU 109 H LEU 109 -10.053 5.283 3.177 662 HA LEU 109 HA LEU 109 -9.717 8.058 3.129 663 HB2 LEU 109 HB2 LEU 109 -11.194 6.161 1.465 664 HB3 LEU 109 HB3 LEU 109 -11.110 7.851 0.918 665 HG LEU 109 HG LEU 109 -8.744 5.988 1.350 666 HD11 LEU 109 HD11 LEU 109 -8.504 6.119 -1.143 667 HD12 LEU 109 HD12 LEU 109 -10.074 5.422 -0.680 668 HD13 LEU 109 HD13 LEU 109 -9.976 7.116 -1.216 669 HD21 LEU 109 HD21 LEU 109 -7.404 7.799 0.337 670 HD22 LEU 109 HD22 LEU 109 -8.858 8.828 0.300 671 HD23 LEU 109 HD23 LEU 109 -8.186 8.292 1.859 672 H LYS 110 H LYS 110 -12.656 6.103 3.456 673 HA LYS 110 HA LYS 110 -14.509 8.207 3.482 674 HB2 LYS 110 HB2 LYS 110 -14.558 5.480 4.745 675 HB3 LYS 110 HB3 LYS 110 -15.937 6.604 4.801 676 HG2 LYS 110 HG2 LYS 110 -16.045 6.603 2.345 677 HG3 LYS 110 HG3 LYS 110 -14.658 5.491 2.281 678 HD2 LYS 110 HD2 LYS 110 -15.958 3.803 3.523 679 HD3 LYS 110 HD3 LYS 110 -17.348 4.915 3.570 680 HE2 LYS 110 HE2 LYS 110 -17.455 4.903 1.123 681 HE3 LYS 110 HE3 LYS 110 -16.047 3.820 1.057 682 HZ1 LYS 110 HZ1 LYS 110 -18.110 2.612 0.824 683 HZ2 LYS 110 HZ2 LYS 110 -17.347 2.166 2.219 684 HZ3 LYS 110 HZ3 LYS 110 -18.653 3.172 2.278 685 H GLU 111 H GLU 111 -12.529 6.811 6.034 686 HA GLU 111 HA GLU 111 -13.696 8.142 8.218 687 HB2 GLU 111 HB2 GLU 111 -10.909 7.130 7.739 688 HB3 GLU 111 HB3 GLU 111 -11.431 7.850 9.282 689 HG2 GLU 111 HG2 GLU 111 -13.143 6.002 9.535 690 HG3 GLU 111 HG3 GLU 111 -12.602 5.453 7.932 691 H LEU 112 H LEU 112 -11.612 9.239 5.693 692 HA LEU 112 HA LEU 112 -10.561 11.507 7.089 693 HB2 LEU 112 HB2 LEU 112 -10.740 10.737 4.269 694 HB3 LEU 112 HB3 LEU 112 -9.828 12.200 4.705 695 HG LEU 112 HG LEU 112 -9.191 9.343 5.537 696 HD11 LEU 112 HD11 LEU 112 -7.124 9.691 4.159 697 HD12 LEU 112 HD12 LEU 112 -8.595 9.870 3.175 698 HD13 LEU 112 HD13 LEU 112 -7.708 11.313 3.720 699 HD21 LEU 112 HD21 LEU 112 -7.165 10.299 6.579 700 HD22 LEU 112 HD22 LEU 112 -7.756 11.933 6.189 701 HD23 LEU 112 HD23 LEU 112 -8.668 10.902 7.319 702 H ASN 113 H ASN 113 -13.423 10.832 5.273 703 HA ASN 113 HA ASN 113 -14.121 13.690 5.252 704 HB2 ASN 113 HB2 ASN 113 -14.311 12.335 2.931 705 HB3 ASN 113 HB3 ASN 113 -15.470 11.524 4.010 706 HD21 ASN 113 HD21 ASN 113 -15.837 12.940 1.456 707 HD22 ASN 113 HD22 ASN 113 -17.024 14.163 1.767 708 H LEU 114 H LEU 114 -14.736 13.770 7.444 709 HA LEU 114 HA LEU 114 -16.728 11.988 8.490 710 HB2 LEU 114 HB2 LEU 114 -15.571 14.518 9.404 711 HB3 LEU 114 HB3 LEU 114 -16.677 13.632 10.478 712 HG LEU 114 HG LEU 114 -13.970 12.676 9.467 713 HD11 LEU 114 HD11 LEU 114 -13.329 12.794 11.890 714 HD12 LEU 114 HD12 LEU 114 -13.831 14.386 11.276 715 HD13 LEU 114 HD13 LEU 114 -14.948 13.422 12.272 716 HD21 LEU 114 HD21 LEU 114 -14.328 10.718 10.931 717 HD22 LEU 114 HD22 LEU 114 -15.970 11.309 11.289 718 HD23 LEU 114 HD23 LEU 114 -15.537 10.834 9.630 Start of MODEL 12 1 H1 GLY 29 H1 GLY 29 -12.657 -21.068 -18.095 2 H2 GLY 29 H2 GLY 29 -12.822 -22.558 -18.138 3 H3 GLY 29 H3 GLY 29 -12.587 -21.792 -19.407 4 HA2 GLY 29 HA2 GLY 29 -15.117 -22.428 -18.320 5 HA3 GLY 29 HA3 GLY 29 -14.925 -20.683 -18.268 6 H SER 30 H SER 30 -14.898 -19.504 -20.183 7 HA SER 30 HA SER 30 -15.973 -20.878 -22.512 8 HB2 SER 30 HB2 SER 30 -16.956 -18.756 -21.733 9 HB3 SER 30 HB3 SER 30 -15.416 -17.942 -22.094 10 HG SER 30 HG SER 30 -16.943 -17.746 -23.790 11 H GLU 31 H GLU 31 -14.876 -18.932 -24.396 12 HA GLU 31 HA GLU 31 -12.620 -20.590 -25.086 13 HB2 GLU 31 HB2 GLU 31 -13.980 -18.325 -26.527 14 HB3 GLU 31 HB3 GLU 31 -12.621 -19.263 -27.189 15 HG2 GLU 31 HG2 GLU 31 -14.059 -21.348 -27.117 16 HG3 GLU 31 HG3 GLU 31 -15.294 -20.314 -26.363 17 H GLU 32 H GLU 32 -12.465 -17.262 -26.112 18 HA GLU 32 HA GLU 32 -9.649 -17.640 -25.759 19 HB2 GLU 32 HB2 GLU 32 -11.261 -15.402 -26.953 20 HB3 GLU 32 HB3 GLU 32 -9.483 -15.424 -26.907 21 HG2 GLU 32 HG2 GLU 32 -9.505 -17.522 -28.335 22 HG3 GLU 32 HG3 GLU 32 -11.277 -17.426 -28.216 23 H LYS 33 H LYS 33 -12.107 -15.681 -24.152 24 HA LYS 33 HA LYS 33 -10.680 -13.336 -24.000 25 HB2 LYS 33 HB2 LYS 33 -12.765 -14.411 -22.118 26 HB3 LYS 33 HB3 LYS 33 -12.151 -12.742 -22.077 27 HG2 LYS 33 HG2 LYS 33 -12.977 -12.376 -24.366 28 HG3 LYS 33 HG3 LYS 33 -13.587 -14.048 -24.415 29 HD2 LYS 33 HD2 LYS 33 -15.103 -13.564 -22.546 30 HD3 LYS 33 HD3 LYS 33 -14.478 -11.900 -22.461 31 HE2 LYS 33 HE2 LYS 33 -15.287 -11.465 -24.732 32 HE3 LYS 33 HE3 LYS 33 -15.882 -13.137 -24.849 33 HZ1 LYS 33 HZ1 LYS 33 -17.642 -11.602 -24.285 34 HZ2 LYS 33 HZ2 LYS 33 -17.391 -12.656 -23.040 35 HZ3 LYS 33 HZ3 LYS 33 -16.836 -11.107 -22.933 36 H GLU 34 H GLU 34 -9.930 -12.236 -21.891 37 HA GLU 34 HA GLU 34 -7.563 -13.815 -21.416 38 HB2 GLU 34 HB2 GLU 34 -8.250 -10.971 -20.703 39 HB3 GLU 34 HB3 GLU 34 -6.665 -11.734 -20.426 40 HG2 GLU 34 HG2 GLU 34 -6.423 -12.038 -22.940 41 HG3 GLU 34 HG3 GLU 34 -8.044 -11.313 -23.046 42 H GLU 35 H GLU 35 -6.538 -13.060 -19.077 43 HA GLU 35 HA GLU 35 -8.172 -14.556 -17.214 44 HB2 GLU 35 HB2 GLU 35 -5.401 -13.402 -16.994 45 HB3 GLU 35 HB3 GLU 35 -6.204 -14.343 -15.714 46 HG2 GLU 35 HG2 GLU 35 -6.298 -16.332 -17.309 47 HG3 GLU 35 HG3 GLU 35 -5.521 -15.244 -18.481 48 H LYS 36 H LYS 36 -7.604 -11.288 -17.952 49 HA LYS 36 HA LYS 36 -8.085 -9.311 -16.934 50 HB2 LYS 36 HB2 LYS 36 -9.610 -11.066 -15.019 51 HB3 LYS 36 HB3 LYS 36 -9.683 -9.288 -15.066 52 HG2 LYS 36 HG2 LYS 36 -10.583 -9.400 -17.368 53 HG3 LYS 36 HG3 LYS 36 -10.545 -11.178 -17.283 54 HD2 LYS 36 HD2 LYS 36 -12.113 -11.123 -15.386 55 HD3 LYS 36 HD3 LYS 36 -12.146 -9.346 -15.463 56 HE2 LYS 36 HE2 LYS 36 -13.090 -9.434 -17.711 57 HE3 LYS 36 HE3 LYS 36 -12.998 -11.211 -17.699 58 HZ1 LYS 36 HZ1 LYS 36 -15.208 -10.431 -17.175 59 HZ2 LYS 36 HZ2 LYS 36 -14.562 -11.214 -15.876 60 HZ3 LYS 36 HZ3 LYS 36 -14.647 -9.568 -15.887 61 H LYS 37 H LYS 37 -5.641 -9.870 -16.484 62 HA LYS 37 HA LYS 37 -4.858 -10.467 -13.831 63 HB2 LYS 37 HB2 LYS 37 -2.656 -9.818 -14.468 64 HB3 LYS 37 HB3 LYS 37 -3.407 -10.769 -15.771 65 HG2 LYS 37 HG2 LYS 37 -3.939 -8.605 -16.937 66 HG3 LYS 37 HG3 LYS 37 -2.983 -7.764 -15.692 67 HD2 LYS 37 HD2 LYS 37 -1.929 -9.967 -17.499 68 HD3 LYS 37 HD3 LYS 37 -1.706 -8.225 -17.791 69 HE2 LYS 37 HE2 LYS 37 -0.797 -9.680 -15.291 70 HE3 LYS 37 HE3 LYS 37 0.247 -9.343 -16.691 71 HZ1 LYS 37 HZ1 LYS 37 0.497 -7.683 -14.975 72 HZ2 LYS 37 HZ2 LYS 37 -0.141 -6.999 -16.335 73 HZ3 LYS 37 HZ3 LYS 37 -1.110 -7.312 -15.037 74 H VAL 38 H VAL 38 -3.370 -8.823 -12.630 75 HA VAL 38 HA VAL 38 -5.142 -6.945 -11.545 76 HB VAL 38 HB VAL 38 -3.214 -6.106 -10.232 77 HG11 VAL 38 HG11 VAL 38 -2.671 -8.244 -9.115 78 HG12 VAL 38 HG12 VAL 38 -4.403 -8.148 -9.507 79 HG13 VAL 38 HG13 VAL 38 -3.317 -9.138 -10.512 80 HG21 VAL 38 HG21 VAL 38 -1.005 -7.107 -10.535 81 HG22 VAL 38 HG22 VAL 38 -1.591 -7.960 -11.982 82 HG23 VAL 38 HG23 VAL 38 -1.520 -6.182 -11.963 83 H ARG 39 H ARG 39 -4.727 -4.593 -11.310 84 HA ARG 39 HA ARG 39 -4.158 -3.402 -13.894 85 HB2 ARG 39 HB2 ARG 39 -5.078 -2.046 -11.413 86 HB3 ARG 39 HB3 ARG 39 -4.971 -1.360 -13.051 87 HG2 ARG 39 HG2 ARG 39 -6.795 -3.615 -12.157 88 HG3 ARG 39 HG3 ARG 39 -7.282 -1.936 -12.496 89 HD2 ARG 39 HD2 ARG 39 -6.171 -3.911 -14.465 90 HD3 ARG 39 HD3 ARG 39 -7.872 -3.414 -14.295 91 HE ARG 39 HE ARG 39 -5.798 -1.797 -15.687 92 HH11 ARG 39 HH11 ARG 39 -8.974 -1.808 -14.247 93 HH12 ARG 39 HH12 ARG 39 -9.387 -0.353 -15.132 94 HH21 ARG 39 HH21 ARG 39 -6.258 -0.135 -16.713 95 HH22 ARG 39 HH22 ARG 39 -7.839 0.601 -16.539 96 H GLU 40 H GLU 40 -2.766 -1.422 -14.016 97 HA GLU 40 HA GLU 40 -0.223 -2.482 -13.092 98 HB2 GLU 40 HB2 GLU 40 0.792 -1.253 -14.839 99 HB3 GLU 40 HB3 GLU 40 -0.657 -2.062 -15.482 100 HG2 GLU 40 HG2 GLU 40 -1.891 0.188 -15.277 101 HG3 GLU 40 HG3 GLU 40 -0.320 0.807 -14.724 102 H LEU 41 H LEU 41 1.558 -0.691 -12.854 103 HA LEU 41 HA LEU 41 0.816 0.730 -10.477 104 HB2 LEU 41 HB2 LEU 41 3.395 0.556 -12.019 105 HB3 LEU 41 HB3 LEU 41 3.215 1.461 -10.518 106 HG LEU 41 HG LEU 41 4.256 -0.639 -10.028 107 HD11 LEU 41 HD11 LEU 41 2.755 -1.517 -8.379 108 HD12 LEU 41 HD12 LEU 41 1.362 -0.827 -9.211 109 HD13 LEU 41 HD13 LEU 41 2.547 0.234 -8.450 110 HD21 LEU 41 HD21 LEU 41 2.899 -1.632 -12.159 111 HD22 LEU 41 HD22 LEU 41 1.996 -2.335 -10.816 112 HD23 LEU 41 HD23 LEU 41 3.733 -2.614 -10.954 113 H THR 42 H THR 42 -0.789 2.108 -11.597 114 HA THR 42 HA THR 42 0.247 4.241 -13.256 115 HB THR 42 HB THR 42 -2.038 5.075 -13.361 116 HG1 THR 42 HG1 THR 42 -3.664 3.879 -12.153 117 HG21 THR 42 HG21 THR 42 -3.149 3.089 -14.325 118 HG22 THR 42 HG22 THR 42 -1.443 3.174 -14.823 119 HG23 THR 42 HG23 THR 42 -1.941 2.038 -13.550 120 HA PRO 43 HA PRO 43 0.945 7.323 -10.140 121 HB2 PRO 43 HB2 PRO 43 0.018 9.566 -11.407 122 HB3 PRO 43 HB3 PRO 43 1.575 8.811 -11.775 123 HG2 PRO 43 HG2 PRO 43 -1.083 8.497 -13.209 124 HG3 PRO 43 HG3 PRO 43 0.528 8.745 -13.897 125 HD2 PRO 43 HD2 PRO 43 -0.567 6.255 -13.816 126 HD3 PRO 43 HD3 PRO 43 1.169 6.473 -13.558 127 H GLN 44 H GLN 44 -2.239 6.962 -11.586 128 HA GLN 44 HA GLN 44 -3.660 8.441 -9.617 129 HB2 GLN 44 HB2 GLN 44 -4.572 7.960 -11.824 130 HB3 GLN 44 HB3 GLN 44 -4.589 6.224 -11.434 131 HG2 GLN 44 HG2 GLN 44 -6.420 6.860 -9.531 132 HG3 GLN 44 HG3 GLN 44 -6.003 8.440 -10.236 133 HE21 GLN 44 HE21 GLN 44 -8.623 7.651 -10.121 134 HE22 GLN 44 HE22 GLN 44 -9.205 7.285 -11.710 135 H GLU 45 H GLU 45 -2.911 4.998 -10.015 136 HA GLU 45 HA GLU 45 -4.495 4.199 -7.774 137 HB2 GLU 45 HB2 GLU 45 -2.450 2.782 -9.455 138 HB3 GLU 45 HB3 GLU 45 -3.271 2.009 -8.077 139 HG2 GLU 45 HG2 GLU 45 -5.499 2.412 -9.261 140 HG3 GLU 45 HG3 GLU 45 -4.513 3.156 -10.541 141 H LEU 46 H LEU 46 -1.162 5.089 -8.272 142 HA LEU 46 HA LEU 46 -0.245 4.024 -5.760 143 HB2 LEU 46 HB2 LEU 46 0.783 5.453 -8.019 144 HB3 LEU 46 HB3 LEU 46 1.761 5.748 -6.562 145 HG LEU 46 HG LEU 46 2.237 3.384 -6.335 146 HD11 LEU 46 HD11 LEU 46 1.415 1.737 -8.041 147 HD12 LEU 46 HD12 LEU 46 0.062 2.512 -7.185 148 HD13 LEU 46 HD13 LEU 46 0.493 3.039 -8.830 149 HD21 LEU 46 HD21 LEU 46 3.544 2.991 -8.395 150 HD22 LEU 46 HD22 LEU 46 2.664 4.322 -9.187 151 HD23 LEU 46 HD23 LEU 46 3.708 4.655 -7.785 152 H GLU 47 H GLU 47 -1.263 7.148 -7.006 153 HA GLU 47 HA GLU 47 -0.450 8.663 -4.743 154 HB2 GLU 47 HB2 GLU 47 -2.327 9.153 -7.020 155 HB3 GLU 47 HB3 GLU 47 -2.195 10.307 -5.670 156 HG2 GLU 47 HG2 GLU 47 0.241 10.645 -6.206 157 HG3 GLU 47 HG3 GLU 47 0.039 9.351 -7.410 158 H LEU 48 H LEU 48 -3.582 7.332 -5.766 159 HA LEU 48 HA LEU 48 -5.079 8.230 -3.573 160 HB2 LEU 48 HB2 LEU 48 -6.776 6.828 -4.310 161 HB3 LEU 48 HB3 LEU 48 -5.871 7.196 -5.777 162 HG LEU 48 HG LEU 48 -4.682 4.959 -5.376 163 HD11 LEU 48 HD11 LEU 48 -6.009 4.983 -3.014 164 HD12 LEU 48 HD12 LEU 48 -5.392 3.530 -3.799 165 HD13 LEU 48 HD13 LEU 48 -7.084 3.989 -3.998 166 HD21 LEU 48 HD21 LEU 48 -6.257 3.832 -6.691 167 HD22 LEU 48 HD22 LEU 48 -6.494 5.536 -7.080 168 HD23 LEU 48 HD23 LEU 48 -7.610 4.717 -5.987 169 H PHE 49 H PHE 49 -2.921 5.522 -3.949 170 HA PHE 49 HA PHE 49 -3.711 4.045 -1.676 171 HB2 PHE 49 HB2 PHE 49 -2.315 2.994 -3.360 172 HB3 PHE 49 HB3 PHE 49 -1.029 4.190 -3.092 173 HD1 PHE 49 HD1 PHE 49 -2.797 1.296 -1.661 174 HD2 PHE 49 HD2 PHE 49 0.507 3.982 -1.318 175 HE1 PHE 49 HE1 PHE 49 -1.763 -0.192 0.022 176 HE2 PHE 49 HE2 PHE 49 1.544 2.495 0.363 177 HZ PHE 49 HZ PHE 49 0.407 0.409 1.034 178 H LYS 50 H LYS 50 -0.910 6.218 -2.091 179 HA LYS 50 HA LYS 50 -0.260 6.299 0.656 180 HB2 LYS 50 HB2 LYS 50 1.253 8.041 0.129 181 HB3 LYS 50 HB3 LYS 50 1.297 6.829 -1.172 182 HG2 LYS 50 HG2 LYS 50 -0.106 8.272 -2.578 183 HG3 LYS 50 HG3 LYS 50 -0.182 9.481 -1.275 184 HD2 LYS 50 HD2 LYS 50 2.276 9.732 -1.387 185 HD3 LYS 50 HD3 LYS 50 2.326 8.554 -2.719 186 HE2 LYS 50 HE2 LYS 50 0.877 10.037 -4.063 187 HE3 LYS 50 HE3 LYS 50 0.882 11.223 -2.737 188 HZ1 LYS 50 HZ1 LYS 50 2.498 11.771 -4.426 189 HZ2 LYS 50 HZ2 LYS 50 3.261 11.419 -3.006 190 HZ3 LYS 50 HZ3 LYS 50 3.256 10.319 -4.236 191 H ARG 51 H ARG 51 -2.452 8.160 -1.325 192 HA ARG 51 HA ARG 51 -2.929 10.293 0.450 193 HB2 ARG 51 HB2 ARG 51 -3.574 10.350 -1.853 194 HB3 ARG 51 HB3 ARG 51 -4.823 9.127 -1.524 195 HG2 ARG 51 HG2 ARG 51 -5.929 10.688 0.031 196 HG3 ARG 51 HG3 ARG 51 -4.689 11.914 -0.328 197 HD2 ARG 51 HD2 ARG 51 -6.623 10.737 -2.299 198 HD3 ARG 51 HD3 ARG 51 -6.780 12.313 -1.489 199 HE ARG 51 HE ARG 51 -5.009 11.812 -3.818 200 HH11 ARG 51 HH11 ARG 51 -5.676 13.919 -1.120 201 HH12 ARG 51 HH12 ARG 51 -4.782 15.210 -1.901 202 HH21 ARG 51 HH21 ARG 51 -3.989 13.283 -4.728 203 HH22 ARG 51 HH22 ARG 51 -3.821 14.848 -3.958 204 H ALA 52 H ALA 52 -4.691 7.228 -0.004 205 HA ALA 52 HA ALA 52 -6.497 7.714 2.140 206 HB1 ALA 52 HB1 ALA 52 -7.156 6.268 0.339 207 HB2 ALA 52 HB2 ALA 52 -5.808 5.177 0.665 208 HB3 ALA 52 HB3 ALA 52 -7.121 5.332 1.833 209 H MET 53 H MET 53 -3.392 6.118 1.861 210 HA MET 53 HA MET 53 -3.472 4.739 4.334 211 HB2 MET 53 HB2 MET 53 -1.954 4.211 2.471 212 HB3 MET 53 HB3 MET 53 -1.077 5.725 2.799 213 HG2 MET 53 HG2 MET 53 0.133 3.842 3.750 214 HG3 MET 53 HG3 MET 53 -0.496 4.891 5.043 215 HE1 MET 53 HE1 MET 53 -2.064 0.678 3.948 216 HE2 MET 53 HE2 MET 53 -2.125 2.035 2.797 217 HE3 MET 53 HE3 MET 53 -0.554 1.405 3.347 218 H GLY 54 H GLY 54 -2.680 8.012 3.434 219 HA2 GLY 54 HA2 GLY 54 -2.490 9.856 4.850 220 HA3 GLY 54 HA3 GLY 54 -2.488 8.767 6.229 221 H ILE 55 H ILE 55 -0.352 8.604 3.424 222 HA ILE 55 HA ILE 55 1.917 8.391 5.188 223 HB ILE 55 HB ILE 55 1.731 8.334 2.161 224 HG12 ILE 55 HG12 ILE 55 2.220 6.132 4.149 225 HG13 ILE 55 HG13 ILE 55 0.654 6.501 3.389 226 HG21 ILE 55 HG21 ILE 55 4.058 7.502 2.235 227 HG22 ILE 55 HG22 ILE 55 3.945 9.147 2.902 228 HG23 ILE 55 HG23 ILE 55 4.092 7.751 3.995 229 HD11 ILE 55 HD11 ILE 55 1.776 4.628 2.247 230 HD12 ILE 55 HD12 ILE 55 1.620 6.036 1.170 231 HD13 ILE 55 HD13 ILE 55 3.185 5.665 1.930 232 H THR 56 H THR 56 2.958 10.095 5.959 233 HA THR 56 HA THR 56 2.667 12.684 4.661 234 HB THR 56 HB THR 56 3.632 13.650 6.671 235 HG1 THR 56 HG1 THR 56 4.048 10.926 7.442 236 HG21 THR 56 HG21 THR 56 1.975 12.881 8.332 237 HG22 THR 56 HG22 THR 56 1.232 13.063 6.725 238 HG23 THR 56 HG23 THR 56 1.643 11.444 7.338 239 HA PRO 57 HA PRO 57 6.701 12.985 2.880 240 HB2 PRO 57 HB2 PRO 57 7.406 15.560 3.523 241 HB3 PRO 57 HB3 PRO 57 6.272 15.144 2.231 242 HG2 PRO 57 HG2 PRO 57 5.680 15.977 5.091 243 HG3 PRO 57 HG3 PRO 57 4.923 16.536 3.593 244 HD2 PRO 57 HD2 PRO 57 3.687 14.668 5.120 245 HD3 PRO 57 HD3 PRO 57 3.613 14.549 3.357 246 H HIS 58 H HIS 58 6.205 13.530 6.271 247 HA HIS 58 HA HIS 58 8.923 13.609 7.077 248 HB2 HIS 58 HB2 HIS 58 7.163 14.347 8.609 249 HB3 HIS 58 HB3 HIS 58 6.462 12.711 8.623 250 HD1 HIS 58 HD1 HIS 58 9.664 14.509 9.633 251 HD2 HIS 58 HD2 HIS 58 7.433 11.103 10.723 252 HE1 HIS 58 HE1 HIS 58 10.808 13.545 11.564 253 H ASN 59 H ASN 59 6.583 10.963 6.735 254 HA ASN 59 HA ASN 59 8.818 9.061 7.010 255 HB2 ASN 59 HB2 ASN 59 7.228 7.407 8.062 256 HB3 ASN 59 HB3 ASN 59 7.267 9.093 8.632 257 HD21 ASN 59 HD21 ASN 59 5.199 7.348 9.211 258 HD22 ASN 59 HD22 ASN 59 3.759 7.902 8.424 259 H TYR 60 H TYR 60 7.575 10.532 4.631 260 HA TYR 60 HA TYR 60 6.344 8.651 2.947 261 HB2 TYR 60 HB2 TYR 60 6.319 11.019 2.479 262 HB3 TYR 60 HB3 TYR 60 8.087 11.010 2.263 263 HD1 TYR 60 HD1 TYR 60 4.902 9.694 0.836 264 HD2 TYR 60 HD2 TYR 60 9.037 10.487 0.159 265 HE1 TYR 60 HE1 TYR 60 4.598 9.179 -1.568 266 HE2 TYR 60 HE2 TYR 60 8.752 9.976 -2.243 267 HH TYR 60 HH TYR 60 7.304 9.350 -3.885 268 H TRP 61 H TRP 61 9.757 9.495 3.401 269 HA TRP 61 HA TRP 61 10.815 7.734 1.480 270 HB2 TRP 61 HB2 TRP 61 12.960 8.011 2.651 271 HB3 TRP 61 HB3 TRP 61 12.120 9.576 2.537 272 HD1 TRP 61 HD1 TRP 61 11.286 10.621 4.650 273 HE1 TRP 61 HE1 TRP 61 11.858 10.267 7.267 274 HE3 TRP 61 HE3 TRP 61 13.556 6.087 4.297 275 HZ2 TRP 61 HZ2 TRP 61 13.087 8.296 8.762 276 HZ3 TRP 61 HZ3 TRP 61 14.410 4.999 6.281 277 HH2 TRP 61 HH2 TRP 61 14.208 6.030 8.502 278 H GLN 62 H GLN 62 9.883 7.276 4.840 279 HA GLN 62 HA GLN 62 10.973 4.676 5.138 280 HB2 GLN 62 HB2 GLN 62 10.359 6.095 7.024 281 HB3 GLN 62 HB3 GLN 62 8.648 5.970 6.551 282 HG2 GLN 62 HG2 GLN 62 8.956 4.177 8.396 283 HG3 GLN 62 HG3 GLN 62 8.845 3.660 6.697 284 HE21 GLN 62 HE21 GLN 62 9.864 1.682 7.151 285 HE22 GLN 62 HE22 GLN 62 11.565 1.581 7.468 286 H TRP 63 H TRP 63 7.769 5.858 4.194 287 HA TRP 63 HA TRP 63 6.630 3.263 3.902 288 HB2 TRP 63 HB2 TRP 63 5.815 6.050 3.281 289 HB3 TRP 63 HB3 TRP 63 5.021 4.771 2.367 290 HD1 TRP 63 HD1 TRP 63 5.117 6.368 5.788 291 HE1 TRP 63 HE1 TRP 63 3.300 5.311 7.272 292 HE3 TRP 63 HE3 TRP 63 3.763 2.476 2.763 293 HZ2 TRP 63 HZ2 TRP 63 1.528 3.117 7.175 294 HZ3 TRP 63 HZ3 TRP 63 1.998 0.943 3.532 295 HH2 TRP 63 HH2 TRP 63 0.906 1.258 5.695 296 H ALA 64 H ALA 64 8.379 5.438 1.789 297 HA ALA 64 HA ALA 64 7.972 4.169 -0.665 298 HB1 ALA 64 HB1 ALA 64 9.166 6.036 -1.056 299 HB2 ALA 64 HB2 ALA 64 10.013 5.945 0.489 300 HB3 ALA 64 HB3 ALA 64 10.551 4.959 -0.871 301 H SER 65 H SER 65 10.427 3.534 1.830 302 HA SER 65 HA SER 65 11.510 1.267 0.468 303 HB2 SER 65 HB2 SER 65 12.821 0.905 2.447 304 HB3 SER 65 HB3 SER 65 12.803 2.639 2.052 305 HG SER 65 HG SER 65 12.460 2.230 4.280 306 H ARG 66 H ARG 66 8.854 1.793 2.603 307 HA ARG 66 HA ARG 66 8.523 -0.890 3.489 308 HB2 ARG 66 HB2 ARG 66 7.558 0.823 4.740 309 HB3 ARG 66 HB3 ARG 66 6.576 1.350 3.353 310 HG2 ARG 66 HG2 ARG 66 5.214 0.104 4.957 311 HG3 ARG 66 HG3 ARG 66 5.344 -0.771 3.412 312 HD2 ARG 66 HD2 ARG 66 5.489 -2.288 5.243 313 HD3 ARG 66 HD3 ARG 66 7.049 -2.203 4.391 314 HE ARG 66 HE ARG 66 7.122 -0.514 6.787 315 HH11 ARG 66 HH11 ARG 66 7.213 -3.860 5.813 316 HH12 ARG 66 HH12 ARG 66 8.159 -4.255 7.235 317 HH21 ARG 66 HH21 ARG 66 8.198 -0.951 8.423 318 HH22 ARG 66 HH22 ARG 66 8.721 -2.596 8.725 319 H THR 67 H THR 67 7.447 0.906 0.657 320 HA THR 67 HA THR 67 5.638 -1.301 -0.049 321 HB THR 67 HB THR 67 4.493 0.323 -1.533 322 HG1 THR 67 HG1 THR 67 6.310 2.192 -0.351 323 HG21 THR 67 HG21 THR 67 3.494 1.696 0.262 324 HG22 THR 67 HG22 THR 67 3.716 0.012 0.793 325 HG23 THR 67 HG23 THR 67 4.845 1.274 1.339 326 H ASN 68 H ASN 68 8.666 -0.677 -0.640 327 HA ASN 68 HA ASN 68 10.151 -0.911 -2.350 328 HB2 ASN 68 HB2 ASN 68 8.759 -3.267 -2.543 329 HB3 ASN 68 HB3 ASN 68 8.091 -2.190 -3.794 330 HD21 ASN 68 HD21 ASN 68 8.810 -4.082 -5.095 331 HD22 ASN 68 HD22 ASN 68 10.423 -4.043 -5.728 332 H ASN 69 H ASN 69 9.240 1.502 -2.525 333 HA ASN 69 HA ASN 69 8.885 3.284 -3.893 334 HB2 ASN 69 HB2 ASN 69 10.575 1.794 -5.527 335 HB3 ASN 69 HB3 ASN 69 8.915 1.613 -6.145 336 HD21 ASN 69 HD21 ASN 69 9.921 2.558 -8.064 337 HD22 ASN 69 HD22 ASN 69 9.983 4.285 -8.195 338 H PHE 70 H PHE 70 6.650 1.813 -2.971 339 HA PHE 70 HA PHE 70 4.426 1.455 -3.313 340 HB2 PHE 70 HB2 PHE 70 4.835 3.717 -5.300 341 HB3 PHE 70 HB3 PHE 70 3.255 3.143 -4.720 342 HD1 PHE 70 HD1 PHE 70 2.636 3.428 -2.352 343 HD2 PHE 70 HD2 PHE 70 6.164 5.165 -4.022 344 HE1 PHE 70 HE1 PHE 70 2.765 4.995 -0.444 345 HE2 PHE 70 HE2 PHE 70 6.298 6.731 -2.114 346 HZ PHE 70 HZ PHE 70 4.599 6.646 -0.325 347 H LYS 71 H LYS 71 5.945 -0.412 -4.587 348 HA LYS 71 HA LYS 71 4.810 -0.739 -7.261 349 HB2 LYS 71 HB2 LYS 71 7.148 -1.174 -7.086 350 HB3 LYS 71 HB3 LYS 71 6.879 -2.297 -5.731 351 HG2 LYS 71 HG2 LYS 71 7.353 -3.545 -7.773 352 HG3 LYS 71 HG3 LYS 71 5.676 -3.827 -7.250 353 HD2 LYS 71 HD2 LYS 71 5.823 -3.480 -9.687 354 HD3 LYS 71 HD3 LYS 71 4.864 -2.208 -8.891 355 HE2 LYS 71 HE2 LYS 71 6.611 -0.625 -9.075 356 HE3 LYS 71 HE3 LYS 71 7.813 -1.879 -9.462 357 HZ1 LYS 71 HZ1 LYS 71 7.155 -0.646 -11.415 358 HZ2 LYS 71 HZ2 LYS 71 6.687 -2.221 -11.557 359 HZ3 LYS 71 HZ3 LYS 71 5.571 -1.059 -11.198 360 H LEU 72 H LEU 72 2.635 -0.950 -6.273 361 HA LEU 72 HA LEU 72 2.157 -3.718 -5.385 362 HB2 LEU 72 HB2 LEU 72 0.618 -1.304 -4.451 363 HB3 LEU 72 HB3 LEU 72 0.435 -2.965 -3.892 364 HG LEU 72 HG LEU 72 2.965 -2.628 -3.187 365 HD11 LEU 72 HD11 LEU 72 2.433 -0.118 -4.163 366 HD12 LEU 72 HD12 LEU 72 3.736 -0.539 -3.052 367 HD13 LEU 72 HD13 LEU 72 2.208 0.081 -2.426 368 HD21 LEU 72 HD21 LEU 72 1.847 -3.095 -1.319 369 HD22 LEU 72 HD22 LEU 72 0.397 -2.269 -1.885 370 HD23 LEU 72 HD23 LEU 72 1.682 -1.354 -1.096 371 H LEU 73 H LEU 73 0.276 -4.708 -6.129 372 HA LEU 73 HA LEU 73 -1.160 -3.278 -8.259 373 HB2 LEU 73 HB2 LEU 73 -0.474 -6.154 -8.611 374 HB3 LEU 73 HB3 LEU 73 -0.808 -4.924 -9.826 375 HG LEU 73 HG LEU 73 1.492 -3.949 -8.903 376 HD11 LEU 73 HD11 LEU 73 2.593 -6.564 -8.848 377 HD12 LEU 73 HD12 LEU 73 1.316 -6.477 -7.634 378 HD13 LEU 73 HD13 LEU 73 2.645 -5.318 -7.601 379 HD21 LEU 73 HD21 LEU 73 1.060 -4.469 -11.217 380 HD22 LEU 73 HD22 LEU 73 1.182 -6.198 -10.889 381 HD23 LEU 73 HD23 LEU 73 2.607 -5.168 -10.743 382 H THR 74 H THR 74 -3.233 -4.198 -8.817 383 HA THR 74 HA THR 74 -4.448 -6.221 -7.231 384 HB THR 74 HB THR 74 -4.263 -4.348 -5.546 385 HG1 THR 74 HG1 THR 74 -5.870 -5.954 -5.335 386 HG21 THR 74 HG21 THR 74 -5.865 -2.482 -5.779 387 HG22 THR 74 HG22 THR 74 -4.676 -2.474 -7.103 388 HG23 THR 74 HG23 THR 74 -6.324 -3.076 -7.390 389 H ASP 75 H ASP 75 -6.586 -6.696 -7.913 390 HA ASP 75 HA ASP 75 -8.008 -4.658 -9.414 391 HB2 ASP 75 HB2 ASP 75 -6.847 -6.121 -11.187 392 HB3 ASP 75 HB3 ASP 75 -7.743 -7.426 -10.371 393 H GLY 76 H GLY 76 -9.564 -4.444 -7.876 394 HA2 GLY 76 HA2 GLY 76 -11.370 -4.967 -6.558 395 HA3 GLY 76 HA3 GLY 76 -11.589 -6.386 -7.572 396 H GLU 77 H GLU 77 -8.630 -5.813 -5.804 397 HA GLU 77 HA GLU 77 -9.321 -7.952 -3.929 398 HB2 GLU 77 HB2 GLU 77 -6.957 -7.982 -5.792 399 HB3 GLU 77 HB3 GLU 77 -7.177 -9.086 -4.411 400 HG2 GLU 77 HG2 GLU 77 -9.281 -9.987 -5.536 401 HG3 GLU 77 HG3 GLU 77 -8.930 -8.803 -6.816 402 H TRP 78 H TRP 78 -7.198 -8.358 -2.509 403 HA TRP 78 HA TRP 78 -6.463 -6.043 -1.133 404 HB2 TRP 78 HB2 TRP 78 -4.701 -7.393 -0.119 405 HB3 TRP 78 HB3 TRP 78 -6.191 -8.326 -0.235 406 HD1 TRP 78 HD1 TRP 78 -5.951 -9.350 -3.216 407 HE1 TRP 78 HE1 TRP 78 -4.160 -11.091 -3.833 408 HE3 TRP 78 HE3 TRP 78 -2.722 -8.601 0.675 409 HZ2 TRP 78 HZ2 TRP 78 -1.701 -12.023 -2.805 410 HZ3 TRP 78 HZ3 TRP 78 -0.672 -9.960 0.785 411 HH2 TRP 78 HH2 TRP 78 -0.176 -11.636 -0.919 412 H VAL 79 H VAL 79 -4.563 -4.793 -1.138 413 HA VAL 79 HA VAL 79 -3.077 -4.826 -3.673 414 HB VAL 79 HB VAL 79 -3.256 -2.617 -1.600 415 HG11 VAL 79 HG11 VAL 79 -2.160 -1.242 -3.339 416 HG12 VAL 79 HG12 VAL 79 -1.128 -2.608 -2.857 417 HG13 VAL 79 HG13 VAL 79 -2.032 -2.673 -4.389 418 HG21 VAL 79 HG21 VAL 79 -4.617 -1.446 -3.258 419 HG22 VAL 79 HG22 VAL 79 -4.576 -2.885 -4.306 420 HG23 VAL 79 HG23 VAL 79 -5.379 -2.960 -2.718 421 H TRP 80 H TRP 80 -1.063 -5.579 -3.687 422 HA TRP 80 HA TRP 80 0.409 -5.726 -1.146 423 HB2 TRP 80 HB2 TRP 80 1.025 -8.037 -1.537 424 HB3 TRP 80 HB3 TRP 80 -0.746 -7.918 -1.676 425 HD1 TRP 80 HD1 TRP 80 2.314 -8.693 -3.538 426 HE1 TRP 80 HE1 TRP 80 1.690 -9.690 -5.972 427 HE3 TRP 80 HE3 TRP 80 -2.668 -7.684 -3.486 428 HZ2 TRP 80 HZ2 TRP 80 -0.622 -9.924 -7.466 429 HZ3 TRP 80 HZ3 TRP 80 -4.047 -8.282 -5.379 430 HH2 TRP 80 HH2 TRP 80 -3.104 -9.387 -7.361 431 H VAL 81 H VAL 81 2.696 -5.866 -1.341 432 HA VAL 81 HA VAL 81 3.763 -4.491 -3.628 433 HB VAL 81 HB VAL 81 5.191 -5.709 -1.244 434 HG11 VAL 81 HG11 VAL 81 7.078 -4.268 -1.935 435 HG12 VAL 81 HG12 VAL 81 6.677 -5.449 -3.204 436 HG13 VAL 81 HG13 VAL 81 6.160 -3.753 -3.370 437 HG21 VAL 81 HG21 VAL 81 5.324 -3.410 -0.427 438 HG22 VAL 81 HG22 VAL 81 4.343 -2.864 -1.808 439 HG23 VAL 81 HG23 VAL 81 3.642 -3.963 -0.597 440 H GLU 82 H GLU 82 4.564 -5.367 -5.418 441 HA GLU 82 HA GLU 82 4.422 -8.091 -5.986 442 HB2 GLU 82 HB2 GLU 82 4.432 -6.311 -7.664 443 HB3 GLU 82 HB3 GLU 82 6.152 -6.014 -7.312 444 HG2 GLU 82 HG2 GLU 82 6.685 -8.354 -8.149 445 HG3 GLU 82 HG3 GLU 82 4.931 -8.524 -8.381 446 H GLY 83 H GLY 83 5.664 -9.759 -5.417 447 HA2 GLY 83 HA2 GLY 83 7.736 -10.894 -5.565 448 HA3 GLY 83 HA3 GLY 83 8.564 -9.355 -5.385 449 H TYR 84 H TYR 84 6.481 -8.928 -3.091 450 HA TYR 84 HA TYR 84 8.275 -10.077 -1.075 451 HB2 TYR 84 HB2 TYR 84 6.440 -7.703 -1.072 452 HB3 TYR 84 HB3 TYR 84 7.104 -8.386 0.432 453 HD1 TYR 84 HD1 TYR 84 9.719 -9.139 -1.413 454 HD2 TYR 84 HD2 TYR 84 7.654 -5.580 -0.293 455 HE1 TYR 84 HE1 TYR 84 11.802 -7.837 -1.739 456 HE2 TYR 84 HE2 TYR 84 9.721 -4.265 -0.614 457 HH TYR 84 HH TYR 84 12.781 -5.788 -1.657 458 H GLU 85 H GLU 85 5.822 -11.323 -2.460 459 HA GLU 85 HA GLU 85 4.019 -12.091 -0.474 460 HB2 GLU 85 HB2 GLU 85 5.216 -13.616 -2.769 461 HB3 GLU 85 HB3 GLU 85 3.956 -14.289 -1.706 462 HG2 GLU 85 HG2 GLU 85 2.389 -12.440 -2.434 463 HG3 GLU 85 HG3 GLU 85 3.768 -11.807 -3.361 464 H GLU 86 H GLU 86 7.370 -12.945 -0.968 465 HA GLU 86 HA GLU 86 7.535 -15.008 0.958 466 HB2 GLU 86 HB2 GLU 86 9.889 -14.642 0.966 467 HB3 GLU 86 HB3 GLU 86 9.273 -14.539 -0.701 468 HG2 GLU 86 HG2 GLU 86 9.388 -11.988 -0.511 469 HG3 GLU 86 HG3 GLU 86 10.010 -12.294 1.127 470 H HIS 87 H HIS 87 7.009 -11.657 1.249 471 HA HIS 87 HA HIS 87 7.743 -11.705 4.095 472 HB2 HIS 87 HB2 HIS 87 7.290 -9.377 2.200 473 HB3 HIS 87 HB3 HIS 87 7.482 -9.187 3.959 474 HD1 HIS 87 HD1 HIS 87 9.461 -7.750 2.309 475 HD2 HIS 87 HD2 HIS 87 10.115 -11.740 3.499 476 HE1 HIS 87 HE1 HIS 87 11.867 -8.128 2.110 477 H ILE 88 H ILE 88 5.223 -12.633 2.492 478 HA ILE 88 HA ILE 88 3.248 -11.181 4.129 479 HB ILE 88 HB ILE 88 2.981 -12.189 1.287 480 HG12 ILE 88 HG12 ILE 88 2.464 -9.460 2.425 481 HG13 ILE 88 HG13 ILE 88 4.042 -9.979 1.784 482 HG21 ILE 88 HG21 ILE 88 0.620 -11.467 1.420 483 HG22 ILE 88 HG22 ILE 88 0.952 -12.783 2.569 484 HG23 ILE 88 HG23 ILE 88 0.828 -11.107 3.150 485 HD11 ILE 88 HD11 ILE 88 2.766 -8.720 0.093 486 HD12 ILE 88 HD12 ILE 88 3.010 -10.410 -0.411 487 HD13 ILE 88 HD13 ILE 88 1.433 -9.889 0.228 488 H GLY 89 H GLY 89 1.430 -12.381 4.888 489 HA2 GLY 89 HA2 GLY 89 0.435 -14.336 5.701 490 HA3 GLY 89 HA3 GLY 89 1.656 -15.279 4.861 491 H LYS 90 H LYS 90 3.186 -12.842 6.512 492 HA LYS 90 HA LYS 90 3.947 -14.654 8.666 493 HB2 LYS 90 HB2 LYS 90 5.054 -12.029 7.714 494 HB3 LYS 90 HB3 LYS 90 5.626 -12.858 9.182 495 HG2 LYS 90 HG2 LYS 90 6.392 -14.751 7.889 496 HG3 LYS 90 HG3 LYS 90 5.667 -14.085 6.407 497 HD2 LYS 90 HD2 LYS 90 7.226 -12.276 6.348 498 HD3 LYS 90 HD3 LYS 90 7.812 -12.643 7.987 499 HE2 LYS 90 HE2 LYS 90 8.712 -14.784 7.192 500 HE3 LYS 90 HE3 LYS 90 8.119 -14.429 5.554 501 HZ1 LYS 90 HZ1 LYS 90 10.450 -13.904 5.788 502 HZ2 LYS 90 HZ2 LYS 90 9.586 -12.528 5.504 503 HZ3 LYS 90 HZ3 LYS 90 10.137 -12.858 7.024 504 H GLN 91 H GLN 91 4.267 -13.653 10.867 505 HA GLN 91 HA GLN 91 1.730 -12.555 11.672 506 HB2 GLN 91 HB2 GLN 91 2.639 -12.751 13.961 507 HB3 GLN 91 HB3 GLN 91 2.623 -14.267 13.029 508 HG2 GLN 91 HG2 GLN 91 5.306 -12.666 13.317 509 HG3 GLN 91 HG3 GLN 91 4.449 -13.725 14.461 510 HE21 GLN 91 HE21 GLN 91 6.083 -15.290 14.398 511 HE22 GLN 91 HE22 GLN 91 6.320 -16.316 13.022 512 H LEU 92 H LEU 92 2.534 -10.604 10.207 513 HA LEU 92 HA LEU 92 4.055 -8.702 11.848 514 HB2 LEU 92 HB2 LEU 92 3.292 -8.734 9.016 515 HB3 LEU 92 HB3 LEU 92 4.260 -7.390 9.663 516 HG LEU 92 HG LEU 92 5.093 -10.308 9.448 517 HD11 LEU 92 HD11 LEU 92 6.822 -9.408 7.867 518 HD12 LEU 92 HD12 LEU 92 5.175 -9.055 7.295 519 HD13 LEU 92 HD13 LEU 92 6.140 -7.778 8.075 520 HD21 LEU 92 HD21 LEU 92 7.283 -9.558 10.316 521 HD22 LEU 92 HD22 LEU 92 6.604 -7.932 10.573 522 HD23 LEU 92 HD23 LEU 92 5.963 -9.319 11.484 523 HA PRO 93 HA PRO 93 0.420 -6.194 12.581 524 HB2 PRO 93 HB2 PRO 93 1.665 -3.829 13.076 525 HB3 PRO 93 HB3 PRO 93 1.606 -5.144 14.257 526 HG2 PRO 93 HG2 PRO 93 3.838 -4.405 12.337 527 HG3 PRO 93 HG3 PRO 93 3.942 -4.828 14.050 528 HD2 PRO 93 HD2 PRO 93 4.481 -6.671 12.093 529 HD3 PRO 93 HD3 PRO 93 3.745 -7.154 13.627 530 H LEU 94 H LEU 94 -0.358 -3.977 11.763 531 HA LEU 94 HA LEU 94 -0.424 -4.062 8.929 532 HB2 LEU 94 HB2 LEU 94 -1.293 -2.124 10.944 533 HB3 LEU 94 HB3 LEU 94 -1.714 -1.820 9.242 534 HG LEU 94 HG LEU 94 -2.592 -4.202 10.921 535 HD11 LEU 94 HD11 LEU 94 -4.880 -3.204 10.668 536 HD12 LEU 94 HD12 LEU 94 -3.776 -2.086 11.500 537 HD13 LEU 94 HD13 LEU 94 -4.169 -1.835 9.782 538 HD21 LEU 94 HD21 LEU 94 -3.986 -4.802 8.972 539 HD22 LEU 94 HD22 LEU 94 -3.251 -3.465 8.055 540 HD23 LEU 94 HD23 LEU 94 -2.246 -4.826 8.604 541 H ASN 95 H ASN 95 1.568 -2.410 11.216 542 HA ASN 95 HA ASN 95 2.510 -0.369 9.454 543 HB2 ASN 95 HB2 ASN 95 3.816 -1.280 12.114 544 HB3 ASN 95 HB3 ASN 95 4.245 -0.127 10.827 545 HD21 ASN 95 HD21 ASN 95 3.536 0.205 13.698 546 HD22 ASN 95 HD22 ASN 95 2.251 1.367 13.713 547 H GLN 96 H GLN 96 3.761 -3.525 10.485 548 HA GLN 96 HA GLN 96 6.078 -3.317 8.787 549 HB2 GLN 96 HB2 GLN 96 4.949 -5.639 10.341 550 HB3 GLN 96 HB3 GLN 96 6.502 -5.649 9.471 551 HG2 GLN 96 HG2 GLN 96 5.951 -4.005 12.087 552 HG3 GLN 96 HG3 GLN 96 6.899 -5.425 11.586 553 HE21 GLN 96 HE21 GLN 96 6.989 -2.140 12.192 554 HE22 GLN 96 HE22 GLN 96 8.437 -1.736 11.332 555 H ALA 97 H ALA 97 2.850 -4.446 8.484 556 HA ALA 97 HA ALA 97 3.066 -6.456 6.585 557 HB1 ALA 97 HB1 ALA 97 0.868 -6.395 6.857 558 HB2 ALA 97 HB2 ALA 97 0.991 -4.831 7.663 559 HB3 ALA 97 HB3 ALA 97 0.800 -4.908 5.912 560 H ARG 98 H ARG 98 3.540 -6.530 4.466 561 HA ARG 98 HA ARG 98 3.838 -3.988 3.017 562 HB2 ARG 98 HB2 ARG 98 5.023 -6.647 2.421 563 HB3 ARG 98 HB3 ARG 98 5.106 -5.224 1.357 564 HG2 ARG 98 HG2 ARG 98 6.307 -3.985 3.108 565 HG3 ARG 98 HG3 ARG 98 6.221 -5.409 4.174 566 HD2 ARG 98 HD2 ARG 98 7.504 -6.645 2.427 567 HD3 ARG 98 HD3 ARG 98 7.758 -5.077 1.625 568 HE ARG 98 HE ARG 98 9.155 -5.919 4.126 569 HH11 ARG 98 HH11 ARG 98 8.427 -3.319 1.918 570 HH12 ARG 98 HH12 ARG 98 9.764 -2.389 2.565 571 HH21 ARG 98 HH21 ARG 98 10.693 -4.868 4.871 572 HH22 ARG 98 HH22 ARG 98 11.058 -3.271 4.248 573 H ALA 99 H ALA 99 1.298 -5.415 3.567 574 HA ALA 99 HA ALA 99 0.228 -5.129 0.915 575 HB1 ALA 99 HB1 ALA 99 -0.931 -7.475 1.218 576 HB2 ALA 99 HB2 ALA 99 0.658 -7.329 0.464 577 HB3 ALA 99 HB3 ALA 99 0.526 -7.818 2.153 578 H TRP 100 H TRP 100 -1.975 -4.732 0.908 579 HA TRP 100 HA TRP 100 -3.401 -4.867 3.458 580 HB2 TRP 100 HB2 TRP 100 -3.098 -2.293 1.865 581 HB3 TRP 100 HB3 TRP 100 -4.115 -2.507 3.309 582 HD1 TRP 100 HD1 TRP 100 -3.020 -2.472 5.527 583 HE1 TRP 100 HE1 TRP 100 -0.573 -1.772 6.432 584 HE3 TRP 100 HE3 TRP 100 -0.576 -2.424 1.070 585 HZ2 TRP 100 HZ2 TRP 100 1.897 -1.322 5.278 586 HZ3 TRP 100 HZ3 TRP 100 1.775 -1.868 0.981 587 HH2 TRP 100 HH2 TRP 100 3.046 -1.321 3.012 588 H SER 101 H SER 101 -5.743 -4.202 3.159 589 HA SER 101 HA SER 101 -6.739 -5.383 0.682 590 HB2 SER 101 HB2 SER 101 -7.660 -6.259 2.718 591 HB3 SER 101 HB3 SER 101 -8.123 -4.627 3.252 592 HG SER 101 HG SER 101 -9.132 -5.996 0.980 593 H TRP 102 H TRP 102 -8.197 -4.329 -0.712 594 HA TRP 102 HA TRP 102 -8.340 -1.560 -0.953 595 HB2 TRP 102 HB2 TRP 102 -9.782 -3.864 -2.022 596 HB3 TRP 102 HB3 TRP 102 -10.802 -2.438 -1.857 597 HD1 TRP 102 HD1 TRP 102 -9.056 -3.991 -4.470 598 HE1 TRP 102 HE1 TRP 102 -8.117 -2.337 -6.205 599 HE3 TRP 102 HE3 TRP 102 -9.318 0.308 -1.717 600 HZ2 TRP 102 HZ2 TRP 102 -7.558 0.424 -6.381 601 HZ3 TRP 102 HZ3 TRP 102 -8.560 2.413 -2.741 602 HH2 TRP 102 HH2 TRP 102 -7.699 2.467 -5.025 603 H GLU 103 H GLU 103 -10.175 -3.766 1.065 604 HA GLU 103 HA GLU 103 -12.151 -1.895 1.880 605 HB2 GLU 103 HB2 GLU 103 -11.158 -4.456 3.098 606 HB3 GLU 103 HB3 GLU 103 -12.488 -3.495 3.788 607 HG2 GLU 103 HG2 GLU 103 -13.818 -3.857 1.668 608 HG3 GLU 103 HG3 GLU 103 -12.373 -4.691 1.050 609 H PHE 104 H PHE 104 -9.042 -2.908 3.234 610 HA PHE 104 HA PHE 104 -9.083 -1.264 5.516 611 HB2 PHE 104 HB2 PHE 104 -7.430 -3.055 5.270 612 HB3 PHE 104 HB3 PHE 104 -6.705 -2.214 3.883 613 HD1 PHE 104 HD1 PHE 104 -7.338 -1.966 7.526 614 HD2 PHE 104 HD2 PHE 104 -5.071 -0.594 4.175 615 HE1 PHE 104 HE1 PHE 104 -5.802 -0.775 9.055 616 HE2 PHE 104 HE2 PHE 104 -3.531 0.595 5.699 617 HZ PHE 104 HZ PHE 104 -3.899 0.506 8.140 618 H ILE 105 H ILE 105 -7.873 -0.683 2.231 619 HA ILE 105 HA ILE 105 -6.902 1.905 2.598 620 HB ILE 105 HB ILE 105 -8.107 0.586 0.155 621 HG12 ILE 105 HG12 ILE 105 -5.259 1.302 0.788 622 HG13 ILE 105 HG13 ILE 105 -5.996 -0.276 1.149 623 HG21 ILE 105 HG21 ILE 105 -7.140 2.454 -1.142 624 HG22 ILE 105 HG22 ILE 105 -8.387 3.036 -0.017 625 HG23 ILE 105 HG23 ILE 105 -6.666 3.260 0.371 626 HD11 ILE 105 HD11 ILE 105 -4.720 -0.351 -0.957 627 HD12 ILE 105 HD12 ILE 105 -6.457 -0.610 -1.249 628 HD13 ILE 105 HD13 ILE 105 -5.719 0.968 -1.610 629 H LYS 106 H LYS 106 -10.163 0.800 1.747 630 HA LYS 106 HA LYS 106 -11.287 3.385 1.479 631 HB2 LYS 106 HB2 LYS 106 -12.492 0.686 2.005 632 HB3 LYS 106 HB3 LYS 106 -13.468 2.165 1.837 633 HG2 LYS 106 HG2 LYS 106 -12.689 2.481 -0.438 634 HG3 LYS 106 HG3 LYS 106 -11.571 1.105 -0.282 635 HD2 LYS 106 HD2 LYS 106 -13.478 0.318 -1.492 636 HD3 LYS 106 HD3 LYS 106 -13.580 -0.359 0.151 637 HE2 LYS 106 HE2 LYS 106 -15.169 1.387 0.791 638 HE3 LYS 106 HE3 LYS 106 -15.039 2.116 -0.825 639 HZ1 LYS 106 HZ1 LYS 106 -16.994 0.735 -0.625 640 HZ2 LYS 106 HZ2 LYS 106 -15.961 0.095 -1.739 641 HZ3 LYS 106 HZ3 LYS 106 -16.080 -0.582 -0.239 642 H ASN 107 H ASN 107 -10.831 1.222 4.202 643 HA ASN 107 HA ASN 107 -12.493 2.510 6.059 644 HB2 ASN 107 HB2 ASN 107 -9.992 0.788 6.679 645 HB3 ASN 107 HB3 ASN 107 -11.100 1.762 7.675 646 HD21 ASN 107 HD21 ASN 107 -10.577 -1.146 7.548 647 HD22 ASN 107 HD22 ASN 107 -12.125 -1.880 7.289 648 H ARG 108 H ARG 108 -9.026 2.945 5.389 649 HA ARG 108 HA ARG 108 -8.765 5.148 7.196 650 HB2 ARG 108 HB2 ARG 108 -6.939 4.061 5.127 651 HB3 ARG 108 HB3 ARG 108 -6.583 5.514 6.089 652 HG2 ARG 108 HG2 ARG 108 -6.761 4.182 8.154 653 HG3 ARG 108 HG3 ARG 108 -7.094 2.729 7.181 654 HD2 ARG 108 HD2 ARG 108 -4.851 2.654 7.860 655 HD3 ARG 108 HD3 ARG 108 -4.878 3.034 6.122 656 HE ARG 108 HE ARG 108 -3.745 5.133 6.699 657 HH11 ARG 108 HH11 ARG 108 -5.212 3.818 9.578 658 HH12 ARG 108 HH12 ARG 108 -4.391 5.021 10.553 659 HH21 ARG 108 HH21 ARG 108 -2.804 6.522 7.803 660 HH22 ARG 108 HH22 ARG 108 -3.019 6.563 9.542 661 H LEU 109 H LEU 109 -9.486 4.776 3.798 662 HA LEU 109 HA LEU 109 -9.130 7.470 3.022 663 HB2 LEU 109 HB2 LEU 109 -9.200 5.728 1.536 664 HB3 LEU 109 HB3 LEU 109 -10.898 5.287 1.826 665 HG LEU 109 HG LEU 109 -11.568 7.550 0.994 666 HD11 LEU 109 HD11 LEU 109 -9.872 8.861 -0.311 667 HD12 LEU 109 HD12 LEU 109 -9.396 8.705 1.397 668 HD13 LEU 109 HD13 LEU 109 -8.624 7.683 0.161 669 HD21 LEU 109 HD21 LEU 109 -11.206 7.053 -1.399 670 HD22 LEU 109 HD22 LEU 109 -9.986 5.838 -0.944 671 HD23 LEU 109 HD23 LEU 109 -11.685 5.617 -0.463 672 H LYS 110 H LYS 110 -12.009 5.671 4.085 673 HA LYS 110 HA LYS 110 -13.807 7.813 4.132 674 HB2 LYS 110 HB2 LYS 110 -13.618 5.317 5.787 675 HB3 LYS 110 HB3 LYS 110 -14.947 6.487 5.954 676 HG2 LYS 110 HG2 LYS 110 -15.561 6.134 3.600 677 HG3 LYS 110 HG3 LYS 110 -14.226 4.971 3.422 678 HD2 LYS 110 HD2 LYS 110 -15.254 3.534 5.144 679 HD3 LYS 110 HD3 LYS 110 -16.595 4.693 5.303 680 HE2 LYS 110 HE2 LYS 110 -17.205 4.328 2.959 681 HE3 LYS 110 HE3 LYS 110 -15.847 3.193 2.774 682 HZ1 LYS 110 HZ1 LYS 110 -17.922 2.044 3.148 683 HZ2 LYS 110 HZ2 LYS 110 -16.894 1.778 4.410 684 HZ3 LYS 110 HZ3 LYS 110 -18.151 2.831 4.580 685 H GLU 111 H GLU 111 -11.397 6.757 6.474 686 HA GLU 111 HA GLU 111 -12.131 8.649 8.483 687 HB2 GLU 111 HB2 GLU 111 -9.671 6.998 7.999 688 HB3 GLU 111 HB3 GLU 111 -9.797 8.152 9.349 689 HG2 GLU 111 HG2 GLU 111 -11.743 6.840 10.272 690 HG3 GLU 111 HG3 GLU 111 -11.621 5.847 8.802 691 H LEU 112 H LEU 112 -10.167 8.741 5.629 692 HA LEU 112 HA LEU 112 -8.551 10.962 6.266 693 HB2 LEU 112 HB2 LEU 112 -8.105 9.448 4.576 694 HB3 LEU 112 HB3 LEU 112 -9.457 9.945 3.530 695 HG LEU 112 HG LEU 112 -8.418 12.256 3.475 696 HD11 LEU 112 HD11 LEU 112 -5.974 12.386 4.024 697 HD12 LEU 112 HD12 LEU 112 -6.939 11.982 5.463 698 HD13 LEU 112 HD13 LEU 112 -6.032 10.708 4.612 699 HD21 LEU 112 HD21 LEU 112 -6.740 11.653 1.766 700 HD22 LEU 112 HD22 LEU 112 -6.820 9.959 2.311 701 HD23 LEU 112 HD23 LEU 112 -8.254 10.734 1.596 702 H ASN 113 H ASN 113 -11.771 10.682 4.866 703 HA ASN 113 HA ASN 113 -12.049 13.604 5.130 704 HB2 ASN 113 HB2 ASN 113 -13.596 11.951 3.013 705 HB3 ASN 113 HB3 ASN 113 -13.671 13.601 3.676 706 HD21 ASN 113 HD21 ASN 113 -12.052 11.422 1.569 707 HD22 ASN 113 HD22 ASN 113 -10.924 12.551 0.896 708 H LEU 114 H LEU 114 -12.433 11.927 7.312 709 HA LEU 114 HA LEU 114 -15.189 11.194 7.579 710 HB2 LEU 114 HB2 LEU 114 -13.511 10.015 8.604 711 HB3 LEU 114 HB3 LEU 114 -12.946 11.341 9.646 712 HG LEU 114 HG LEU 114 -15.277 11.358 10.668 713 HD11 LEU 114 HD11 LEU 114 -16.586 9.230 10.438 714 HD12 LEU 114 HD12 LEU 114 -16.407 10.052 8.870 715 HD13 LEU 114 HD13 LEU 114 -15.393 8.642 9.255 716 HD21 LEU 114 HD21 LEU 114 -14.803 9.455 12.169 717 HD22 LEU 114 HD22 LEU 114 -13.571 8.878 11.020 718 HD23 LEU 114 HD23 LEU 114 -13.362 10.445 11.838 Start of MODEL 13 1 H1 GLY 29 H1 GLY 29 8.114 -9.953 -17.929 2 H2 GLY 29 H2 GLY 29 7.422 -11.077 -17.215 3 H3 GLY 29 H3 GLY 29 6.617 -10.053 -17.961 4 HA2 GLY 29 HA2 GLY 29 7.315 -9.918 -15.224 5 HA3 GLY 29 HA3 GLY 29 8.124 -8.601 -16.062 6 H SER 30 H SER 30 4.958 -9.853 -15.059 7 HA SER 30 HA SER 30 4.469 -6.962 -14.748 8 HB2 SER 30 HB2 SER 30 2.440 -9.193 -14.842 9 HB3 SER 30 HB3 SER 30 2.077 -7.496 -14.451 10 HG SER 30 HG SER 30 1.702 -7.999 -16.653 11 H GLU 31 H GLU 31 6.007 -9.064 -13.168 12 HA GLU 31 HA GLU 31 5.377 -8.450 -10.536 13 HB2 GLU 31 HB2 GLU 31 3.230 -9.533 -11.101 14 HB3 GLU 31 HB3 GLU 31 4.121 -11.043 -11.412 15 HG2 GLU 31 HG2 GLU 31 3.076 -11.042 -9.093 16 HG3 GLU 31 HG3 GLU 31 4.849 -11.143 -9.173 17 H GLU 32 H GLU 32 6.520 -9.908 -8.959 18 HA GLU 32 HA GLU 32 8.619 -11.549 -9.801 19 HB2 GLU 32 HB2 GLU 32 6.844 -11.784 -7.382 20 HB3 GLU 32 HB3 GLU 32 8.349 -12.702 -7.632 21 HG2 GLU 32 HG2 GLU 32 8.268 -9.630 -7.497 22 HG3 GLU 32 HG3 GLU 32 8.503 -10.757 -6.142 23 H LYS 33 H LYS 33 8.474 -14.063 -9.175 24 HA LYS 33 HA LYS 33 6.886 -14.933 -11.448 25 HB2 LYS 33 HB2 LYS 33 9.143 -16.206 -9.928 26 HB3 LYS 33 HB3 LYS 33 8.270 -17.011 -11.252 27 HG2 LYS 33 HG2 LYS 33 8.975 -15.246 -12.805 28 HG3 LYS 33 HG3 LYS 33 9.828 -14.414 -11.482 29 HD2 LYS 33 HD2 LYS 33 11.275 -16.399 -11.191 30 HD3 LYS 33 HD3 LYS 33 10.444 -17.190 -12.552 31 HE2 LYS 33 HE2 LYS 33 11.181 -15.413 -14.060 32 HE3 LYS 33 HE3 LYS 33 11.971 -14.572 -12.706 33 HZ1 LYS 33 HZ1 LYS 33 13.542 -15.853 -13.995 34 HZ2 LYS 33 HZ2 LYS 33 13.430 -16.465 -12.466 35 HZ3 LYS 33 HZ3 LYS 33 12.697 -17.245 -13.722 36 H GLU 34 H GLU 34 5.477 -14.489 -8.968 37 HA GLU 34 HA GLU 34 4.506 -17.173 -8.381 38 HB2 GLU 34 HB2 GLU 34 4.576 -15.597 -6.564 39 HB3 GLU 34 HB3 GLU 34 3.560 -14.460 -7.485 40 HG2 GLU 34 HG2 GLU 34 2.021 -15.526 -5.923 41 HG3 GLU 34 HG3 GLU 34 1.839 -16.257 -7.535 42 H GLU 35 H GLU 35 2.765 -14.199 -9.295 43 HA GLU 35 HA GLU 35 1.743 -15.592 -11.659 44 HB2 GLU 35 HB2 GLU 35 0.055 -14.105 -9.659 45 HB3 GLU 35 HB3 GLU 35 -0.499 -14.600 -11.278 46 HG2 GLU 35 HG2 GLU 35 -0.082 -17.038 -10.585 47 HG3 GLU 35 HG3 GLU 35 0.393 -16.341 -9.019 48 H LYS 36 H LYS 36 1.434 -14.303 -13.437 49 HA LYS 36 HA LYS 36 2.670 -11.668 -13.255 50 HB2 LYS 36 HB2 LYS 36 1.935 -13.373 -15.624 51 HB3 LYS 36 HB3 LYS 36 2.702 -11.770 -15.726 52 HG2 LYS 36 HG2 LYS 36 4.646 -12.645 -14.463 53 HG3 LYS 36 HG3 LYS 36 3.884 -14.253 -14.434 54 HD2 LYS 36 HD2 LYS 36 3.899 -14.287 -16.909 55 HD3 LYS 36 HD3 LYS 36 4.709 -12.701 -16.911 56 HE2 LYS 36 HE2 LYS 36 6.601 -13.674 -15.670 57 HE3 LYS 36 HE3 LYS 36 5.795 -15.259 -15.693 58 HZ1 LYS 36 HZ1 LYS 36 7.437 -15.072 -17.435 59 HZ2 LYS 36 HZ2 LYS 36 5.930 -15.222 -18.092 60 HZ3 LYS 36 HZ3 LYS 36 6.678 -13.752 -18.070 61 H LYS 37 H LYS 37 -0.327 -12.721 -12.837 62 HA LYS 37 HA LYS 37 -1.620 -10.568 -14.353 63 HB2 LYS 37 HB2 LYS 37 -2.575 -12.825 -14.480 64 HB3 LYS 37 HB3 LYS 37 -2.853 -12.779 -12.723 65 HG2 LYS 37 HG2 LYS 37 -4.948 -12.203 -13.519 66 HG3 LYS 37 HG3 LYS 37 -4.209 -10.601 -13.283 67 HD2 LYS 37 HD2 LYS 37 -3.914 -11.987 -15.933 68 HD3 LYS 37 HD3 LYS 37 -5.457 -11.195 -15.535 69 HE2 LYS 37 HE2 LYS 37 -4.251 -9.094 -15.075 70 HE3 LYS 37 HE3 LYS 37 -2.719 -9.888 -15.508 71 HZ1 LYS 37 HZ1 LYS 37 -3.611 -8.616 -17.341 72 HZ2 LYS 37 HZ2 LYS 37 -3.593 -10.222 -17.721 73 HZ3 LYS 37 HZ3 LYS 37 -5.013 -9.486 -17.320 74 H VAL 38 H VAL 38 -1.551 -8.671 -13.330 75 HA VAL 38 HA VAL 38 -2.675 -8.507 -10.649 76 HB VAL 38 HB VAL 38 -0.860 -6.980 -9.859 77 HG11 VAL 38 HG11 VAL 38 0.763 -8.780 -9.366 78 HG12 VAL 38 HG12 VAL 38 -0.910 -9.358 -9.180 79 HG13 VAL 38 HG13 VAL 38 0.024 -9.791 -10.632 80 HG21 VAL 38 HG21 VAL 38 1.298 -7.015 -11.004 81 HG22 VAL 38 HG22 VAL 38 0.579 -7.962 -12.328 82 HG23 VAL 38 HG23 VAL 38 0.016 -6.303 -12.014 83 H ARG 39 H ARG 39 -2.836 -6.076 -10.004 84 HA ARG 39 HA ARG 39 -3.424 -4.432 -12.352 85 HB2 ARG 39 HB2 ARG 39 -3.932 -3.780 -9.497 86 HB3 ARG 39 HB3 ARG 39 -4.429 -2.847 -10.929 87 HG2 ARG 39 HG2 ARG 39 -5.372 -5.635 -10.186 88 HG3 ARG 39 HG3 ARG 39 -6.304 -4.129 -10.009 89 HD2 ARG 39 HD2 ARG 39 -5.372 -5.382 -12.571 90 HD3 ARG 39 HD3 ARG 39 -7.028 -5.365 -11.922 91 HE ARG 39 HE ARG 39 -5.803 -3.106 -13.394 92 HH11 ARG 39 HH11 ARG 39 -8.290 -4.013 -11.125 93 HH12 ARG 39 HH12 ARG 39 -9.181 -2.553 -11.508 94 HH21 ARG 39 HH21 ARG 39 -6.814 -1.434 -13.851 95 HH22 ARG 39 HH22 ARG 39 -8.340 -1.082 -13.064 96 H GLU 40 H GLU 40 -2.300 -2.534 -12.833 97 HA GLU 40 HA GLU 40 0.474 -2.972 -12.138 98 HB2 GLU 40 HB2 GLU 40 1.024 -1.659 -14.036 99 HB3 GLU 40 HB3 GLU 40 -0.272 -2.796 -14.474 100 HG2 GLU 40 HG2 GLU 40 -1.941 -0.863 -14.250 101 HG3 GLU 40 HG3 GLU 40 -0.512 0.117 -13.854 102 H LEU 41 H LEU 41 1.879 -0.866 -12.167 103 HA LEU 41 HA LEU 41 1.101 0.737 -9.935 104 HB2 LEU 41 HB2 LEU 41 3.292 0.698 -11.858 105 HB3 LEU 41 HB3 LEU 41 3.286 2.048 -10.699 106 HG LEU 41 HG LEU 41 4.737 0.502 -9.697 107 HD11 LEU 41 HD11 LEU 41 3.473 -0.501 -7.775 108 HD12 LEU 41 HD12 LEU 41 2.918 1.153 -8.121 109 HD13 LEU 41 HD13 LEU 41 1.951 -0.241 -8.660 110 HD21 LEU 41 HD21 LEU 41 4.337 -1.935 -9.626 111 HD22 LEU 41 HD22 LEU 41 2.834 -1.698 -10.551 112 HD23 LEU 41 HD23 LEU 41 4.405 -1.299 -11.286 113 H THR 42 H THR 42 -0.942 1.497 -10.913 114 HA THR 42 HA THR 42 -0.718 3.582 -12.915 115 HB THR 42 HB THR 42 -3.142 3.850 -12.675 116 HG1 THR 42 HG1 THR 42 -2.885 1.880 -10.615 117 HG21 THR 42 HG21 THR 42 -3.824 1.579 -13.364 118 HG22 THR 42 HG22 THR 42 -2.290 2.049 -14.136 119 HG23 THR 42 HG23 THR 42 -2.284 0.930 -12.752 120 HA PRO 43 HA PRO 43 -0.265 7.068 -10.216 121 HB2 PRO 43 HB2 PRO 43 -1.737 8.928 -11.592 122 HB3 PRO 43 HB3 PRO 43 -0.099 8.439 -12.049 123 HG2 PRO 43 HG2 PRO 43 -2.758 7.454 -13.137 124 HG3 PRO 43 HG3 PRO 43 -1.299 7.918 -14.023 125 HD2 PRO 43 HD2 PRO 43 -1.853 5.295 -13.568 126 HD3 PRO 43 HD3 PRO 43 -0.182 5.870 -13.519 127 H GLN 44 H GLN 44 -3.451 5.976 -11.228 128 HA GLN 44 HA GLN 44 -4.915 7.381 -9.236 129 HB2 GLN 44 HB2 GLN 44 -5.949 6.511 -11.261 130 HB3 GLN 44 HB3 GLN 44 -5.586 4.851 -10.729 131 HG2 GLN 44 HG2 GLN 44 -7.290 5.345 -8.669 132 HG3 GLN 44 HG3 GLN 44 -7.273 6.885 -9.560 133 HE21 GLN 44 HE21 GLN 44 -9.653 5.618 -9.037 134 HE22 GLN 44 HE22 GLN 44 -10.317 4.981 -10.506 135 H GLU 45 H GLU 45 -3.802 4.005 -9.466 136 HA GLU 45 HA GLU 45 -4.868 3.185 -7.000 137 HB2 GLU 45 HB2 GLU 45 -2.689 2.123 -8.757 138 HB3 GLU 45 HB3 GLU 45 -3.071 1.365 -7.191 139 HG2 GLU 45 HG2 GLU 45 -5.432 0.934 -8.014 140 HG3 GLU 45 HG3 GLU 45 -4.936 1.797 -9.488 141 H LEU 46 H LEU 46 -1.852 4.738 -7.845 142 HA LEU 46 HA LEU 46 -0.570 4.083 -5.349 143 HB2 LEU 46 HB2 LEU 46 0.068 5.790 -7.638 144 HB3 LEU 46 HB3 LEU 46 1.240 5.709 -6.302 145 HG LEU 46 HG LEU 46 0.344 3.411 -8.085 146 HD11 LEU 46 HD11 LEU 46 2.744 3.410 -8.819 147 HD12 LEU 46 HD12 LEU 46 1.963 4.971 -9.163 148 HD13 LEU 46 HD13 LEU 46 3.051 4.808 -7.763 149 HD21 LEU 46 HD21 LEU 46 2.005 2.056 -6.857 150 HD22 LEU 46 HD22 LEU 46 2.291 3.430 -5.762 151 HD23 LEU 46 HD23 LEU 46 0.693 2.649 -5.811 152 H GLU 47 H GLU 47 -2.080 6.920 -6.810 153 HA GLU 47 HA GLU 47 -1.252 8.738 -4.788 154 HB2 GLU 47 HB2 GLU 47 -3.331 8.842 -6.943 155 HB3 GLU 47 HB3 GLU 47 -3.129 10.162 -5.765 156 HG2 GLU 47 HG2 GLU 47 -0.776 10.523 -6.580 157 HG3 GLU 47 HG3 GLU 47 -1.022 9.076 -7.585 158 H LEU 48 H LEU 48 -4.232 6.923 -5.374 159 HA LEU 48 HA LEU 48 -5.717 8.046 -3.252 160 HB2 LEU 48 HB2 LEU 48 -7.314 6.389 -3.664 161 HB3 LEU 48 HB3 LEU 48 -6.569 6.703 -5.230 162 HG LEU 48 HG LEU 48 -5.089 4.642 -4.633 163 HD11 LEU 48 HD11 LEU 48 -6.196 2.999 -3.246 164 HD12 LEU 48 HD12 LEU 48 -7.511 4.125 -2.916 165 HD13 LEU 48 HD13 LEU 48 -5.889 4.465 -2.314 166 HD21 LEU 48 HD21 LEU 48 -6.914 3.145 -5.544 167 HD22 LEU 48 HD22 LEU 48 -6.521 4.569 -6.509 168 HD23 LEU 48 HD23 LEU 48 -7.968 4.558 -5.500 169 H PHE 49 H PHE 49 -3.339 5.512 -3.398 170 HA PHE 49 HA PHE 49 -3.887 4.317 -0.889 171 HB2 PHE 49 HB2 PHE 49 -2.522 3.160 -2.566 172 HB3 PHE 49 HB3 PHE 49 -1.280 4.429 -2.448 173 HD1 PHE 49 HD1 PHE 49 -2.885 1.606 -0.714 174 HD2 PHE 49 HD2 PHE 49 0.291 4.464 -0.689 175 HE1 PHE 49 HE1 PHE 49 -1.753 0.330 1.076 176 HE2 PHE 49 HE2 PHE 49 1.427 3.190 1.100 177 HZ PHE 49 HZ PHE 49 0.402 1.123 1.983 178 H LYS 50 H LYS 50 -1.325 6.613 -1.838 179 HA LYS 50 HA LYS 50 -0.465 7.131 0.801 180 HB2 LYS 50 HB2 LYS 50 0.817 8.940 -0.143 181 HB3 LYS 50 HB3 LYS 50 0.880 7.572 -1.248 182 HG2 LYS 50 HG2 LYS 50 -0.781 8.616 -2.673 183 HG3 LYS 50 HG3 LYS 50 -0.922 9.968 -1.547 184 HD2 LYS 50 HD2 LYS 50 1.507 10.424 -1.915 185 HD3 LYS 50 HD3 LYS 50 1.494 9.188 -3.174 186 HE2 LYS 50 HE2 LYS 50 -0.260 10.465 -4.356 187 HE3 LYS 50 HE3 LYS 50 -0.147 11.719 -3.121 188 HZ1 LYS 50 HZ1 LYS 50 1.191 11.897 -5.342 189 HZ2 LYS 50 HZ2 LYS 50 2.297 10.912 -4.525 190 HZ3 LYS 50 HZ3 LYS 50 1.871 12.418 -3.883 191 H ARG 51 H ARG 51 -3.011 8.467 -1.166 192 HA ARG 51 HA ARG 51 -3.550 10.779 0.361 193 HB2 ARG 51 HB2 ARG 51 -4.396 10.546 -1.832 194 HB3 ARG 51 HB3 ARG 51 -5.411 9.179 -1.318 195 HG2 ARG 51 HG2 ARG 51 -6.688 10.655 0.154 196 HG3 ARG 51 HG3 ARG 51 -5.648 12.028 -0.299 197 HD2 ARG 51 HD2 ARG 51 -6.439 11.881 -2.574 198 HD3 ARG 51 HD3 ARG 51 -7.468 10.498 -2.133 199 HE ARG 51 HE ARG 51 -8.296 12.780 -0.541 200 HH11 ARG 51 HH11 ARG 51 -8.307 11.760 -3.876 201 HH12 ARG 51 HH12 ARG 51 -9.758 12.699 -4.165 202 HH21 ARG 51 HH21 ARG 51 -9.954 13.866 -0.859 203 HH22 ARG 51 HH22 ARG 51 -10.697 13.901 -2.446 204 H ALA 52 H ALA 52 -5.072 7.555 0.431 205 HA ALA 52 HA ALA 52 -6.648 8.091 2.729 206 HB1 ALA 52 HB1 ALA 52 -6.971 6.272 0.948 207 HB2 ALA 52 HB2 ALA 52 -5.808 5.337 1.890 208 HB3 ALA 52 HB3 ALA 52 -7.322 5.861 2.627 209 H MET 53 H MET 53 -3.451 6.695 2.247 210 HA MET 53 HA MET 53 -3.120 5.780 4.917 211 HB2 MET 53 HB2 MET 53 -1.875 4.949 2.947 212 HB3 MET 53 HB3 MET 53 -0.997 6.499 2.908 213 HG2 MET 53 HG2 MET 53 0.370 4.793 3.975 214 HG3 MET 53 HG3 MET 53 -0.102 6.038 5.156 215 HE1 MET 53 HE1 MET 53 -1.759 1.719 4.965 216 HE2 MET 53 HE2 MET 53 -2.011 2.890 3.646 217 HE3 MET 53 HE3 MET 53 -0.368 2.325 4.035 218 H GLY 54 H GLY 54 -2.616 8.831 3.308 219 HA2 GLY 54 HA2 GLY 54 -2.388 10.920 4.305 220 HA3 GLY 54 HA3 GLY 54 -2.227 10.125 5.865 221 H ILE 55 H ILE 55 -0.290 9.488 2.985 222 HA ILE 55 HA ILE 55 2.103 9.618 4.554 223 HB ILE 55 HB ILE 55 1.696 9.198 1.580 224 HG12 ILE 55 HG12 ILE 55 2.428 7.267 3.765 225 HG13 ILE 55 HG13 ILE 55 0.796 7.488 3.095 226 HG21 ILE 55 HG21 ILE 55 4.056 8.461 1.563 227 HG22 ILE 55 HG22 ILE 55 3.922 10.169 2.041 228 HG23 ILE 55 HG23 ILE 55 4.212 8.920 3.274 229 HD11 ILE 55 HD11 ILE 55 1.910 5.532 2.095 230 HD12 ILE 55 HD12 ILE 55 1.613 6.794 0.875 231 HD13 ILE 55 HD13 ILE 55 3.245 6.572 1.547 232 H THR 56 H THR 56 3.190 11.403 5.010 233 HA THR 56 HA THR 56 2.696 13.821 3.450 234 HB THR 56 HB THR 56 3.731 15.054 5.271 235 HG1 THR 56 HG1 THR 56 4.293 12.459 6.335 236 HG21 THR 56 HG21 THR 56 2.196 14.445 7.106 237 HG22 THR 56 HG22 THR 56 1.361 14.405 5.534 238 HG23 THR 56 HG23 THR 56 1.865 12.887 6.313 239 HA PRO 57 HA PRO 57 6.640 14.034 1.442 240 HB2 PRO 57 HB2 PRO 57 7.277 16.686 1.754 241 HB3 PRO 57 HB3 PRO 57 6.107 16.089 0.569 242 HG2 PRO 57 HG2 PRO 57 5.602 17.226 3.341 243 HG3 PRO 57 HG3 PRO 57 4.769 17.590 1.823 244 HD2 PRO 57 HD2 PRO 57 3.647 15.879 3.593 245 HD3 PRO 57 HD3 PRO 57 3.526 15.544 1.860 246 H HIS 58 H HIS 58 6.233 14.739 4.774 247 HA HIS 58 HA HIS 58 9.035 15.098 5.356 248 HB2 HIS 58 HB2 HIS 58 6.646 14.666 7.186 249 HB3 HIS 58 HB3 HIS 58 8.302 14.988 7.750 250 HD1 HIS 58 HD1 HIS 58 9.323 17.339 6.623 251 HD2 HIS 58 HD2 HIS 58 5.135 17.016 6.948 252 HE1 HIS 58 HE1 HIS 58 8.467 19.627 6.595 253 H ASN 59 H ASN 59 6.698 12.476 5.421 254 HA ASN 59 HA ASN 59 8.895 10.627 6.089 255 HB2 ASN 59 HB2 ASN 59 7.258 9.146 7.309 256 HB3 ASN 59 HB3 ASN 59 7.297 10.897 7.634 257 HD21 ASN 59 HD21 ASN 59 5.192 9.285 8.398 258 HD22 ASN 59 HD22 ASN 59 3.783 9.720 7.489 259 H TYR 60 H TYR 60 7.715 11.746 3.483 260 HA TYR 60 HA TYR 60 6.536 9.604 2.077 261 HB2 TYR 60 HB2 TYR 60 6.427 11.907 1.311 262 HB3 TYR 60 HB3 TYR 60 8.188 11.907 1.050 263 HD1 TYR 60 HD1 TYR 60 4.988 10.403 -0.114 264 HD2 TYR 60 HD2 TYR 60 9.115 11.051 -0.966 265 HE1 TYR 60 HE1 TYR 60 4.638 9.554 -2.416 266 HE2 TYR 60 HE2 TYR 60 8.785 10.208 -3.265 267 HH TYR 60 HH TYR 60 7.304 9.369 -4.779 268 H TRP 61 H TRP 61 9.909 10.719 2.258 269 HA TRP 61 HA TRP 61 10.999 8.710 0.616 270 HB2 TRP 61 HB2 TRP 61 13.170 9.365 1.519 271 HB3 TRP 61 HB3 TRP 61 12.186 10.825 1.270 272 HD1 TRP 61 HD1 TRP 61 11.382 12.064 3.307 273 HE1 TRP 61 HE1 TRP 61 12.216 12.153 5.876 274 HE3 TRP 61 HE3 TRP 61 14.150 7.801 3.327 275 HZ2 TRP 61 HZ2 TRP 61 13.801 10.561 7.486 276 HZ3 TRP 61 HZ3 TRP 61 15.299 7.108 5.338 277 HH2 TRP 61 HH2 TRP 61 15.164 8.417 7.413 278 H GLN 62 H GLN 62 10.082 8.748 3.978 279 HA GLN 62 HA GLN 62 11.405 6.343 4.727 280 HB2 GLN 62 HB2 GLN 62 9.026 7.796 5.858 281 HB3 GLN 62 HB3 GLN 62 9.698 6.314 6.577 282 HG2 GLN 62 HG2 GLN 62 11.987 7.742 6.912 283 HG3 GLN 62 HG3 GLN 62 10.905 8.894 6.095 284 HE21 GLN 62 HE21 GLN 62 12.208 9.334 8.591 285 HE22 GLN 62 HE22 GLN 62 10.986 9.481 9.810 286 H TRP 63 H TRP 63 8.175 7.083 3.496 287 HA TRP 63 HA TRP 63 7.256 4.379 3.619 288 HB2 TRP 63 HB2 TRP 63 6.227 6.948 2.530 289 HB3 TRP 63 HB3 TRP 63 5.563 5.463 1.855 290 HD1 TRP 63 HD1 TRP 63 5.486 7.631 4.956 291 HE1 TRP 63 HE1 TRP 63 3.726 6.708 6.592 292 HE3 TRP 63 HE3 TRP 63 4.457 3.197 2.628 293 HZ2 TRP 63 HZ2 TRP 63 2.117 4.404 6.862 294 HZ3 TRP 63 HZ3 TRP 63 2.796 1.690 3.641 295 HH2 TRP 63 HH2 TRP 63 1.652 2.283 5.713 296 H ALA 64 H ALA 64 9.052 6.264 1.330 297 HA ALA 64 HA ALA 64 8.770 4.682 -0.963 298 HB1 ALA 64 HB1 ALA 64 9.996 6.437 -1.604 299 HB2 ALA 64 HB2 ALA 64 10.647 6.690 0.015 300 HB3 ALA 64 HB3 ALA 64 11.383 5.497 -1.054 301 H SER 65 H SER 65 11.036 4.405 1.760 302 HA SER 65 HA SER 65 12.238 1.999 0.795 303 HB2 SER 65 HB2 SER 65 13.343 1.890 2.923 304 HB3 SER 65 HB3 SER 65 13.369 3.564 2.324 305 HG SER 65 HG SER 65 12.805 3.423 4.539 306 H ARG 66 H ARG 66 9.422 2.762 2.664 307 HA ARG 66 HA ARG 66 9.024 0.204 3.832 308 HB2 ARG 66 HB2 ARG 66 7.982 2.036 4.816 309 HB3 ARG 66 HB3 ARG 66 7.109 2.415 3.312 310 HG2 ARG 66 HG2 ARG 66 5.606 1.366 4.913 311 HG3 ARG 66 HG3 ARG 66 5.864 0.298 3.513 312 HD2 ARG 66 HD2 ARG 66 5.837 -0.976 5.519 313 HD3 ARG 66 HD3 ARG 66 7.475 -0.980 4.823 314 HE ARG 66 HE ARG 66 7.319 0.998 6.976 315 HH11 ARG 66 HH11 ARG 66 7.468 -2.447 6.463 316 HH12 ARG 66 HH12 ARG 66 8.260 -2.651 8.013 317 HH21 ARG 66 HH21 ARG 66 8.217 0.782 8.758 318 HH22 ARG 66 HH22 ARG 66 8.687 -0.810 9.324 319 H THR 67 H THR 67 8.042 1.668 0.774 320 HA THR 67 HA THR 67 6.402 -0.704 0.191 321 HB THR 67 HB THR 67 5.265 0.713 -1.513 322 HG1 THR 67 HG1 THR 67 6.858 2.785 -0.346 323 HG21 THR 67 HG21 THR 67 4.038 2.124 0.099 324 HG22 THR 67 HG22 THR 67 4.336 0.501 0.767 325 HG23 THR 67 HG23 THR 67 5.329 1.878 1.298 326 H ASN 68 H ASN 68 9.408 -0.048 -0.269 327 HA ASN 68 HA ASN 68 11.004 -0.509 -1.824 328 HB2 ASN 68 HB2 ASN 68 9.582 -2.850 -1.848 329 HB3 ASN 68 HB3 ASN 68 9.006 -1.912 -3.247 330 HD21 ASN 68 HD21 ASN 68 9.768 -3.983 -4.247 331 HD22 ASN 68 HD22 ASN 68 11.409 -4.025 -4.801 332 H ASN 69 H ASN 69 10.293 1.871 -2.369 333 HA ASN 69 HA ASN 69 10.132 3.483 -3.967 334 HB2 ASN 69 HB2 ASN 69 11.675 1.632 -5.376 335 HB3 ASN 69 HB3 ASN 69 10.007 1.557 -5.996 336 HD21 ASN 69 HD21 ASN 69 11.128 2.157 -7.992 337 HD22 ASN 69 HD22 ASN 69 11.370 3.840 -8.323 338 H PHE 70 H PHE 70 7.771 2.206 -2.918 339 HA PHE 70 HA PHE 70 5.518 2.110 -3.253 340 HB2 PHE 70 HB2 PHE 70 6.202 4.315 -5.228 341 HB3 PHE 70 HB3 PHE 70 4.568 3.955 -4.624 342 HD1 PHE 70 HD1 PHE 70 4.059 4.265 -2.218 343 HD2 PHE 70 HD2 PHE 70 7.709 5.599 -3.991 344 HE1 PHE 70 HE1 PHE 70 4.431 5.785 -0.303 345 HE2 PHE 70 HE2 PHE 70 8.086 7.119 -2.077 346 HZ PHE 70 HZ PHE 70 6.447 7.211 -0.234 347 H LYS 71 H LYS 71 6.940 0.154 -4.680 348 HA LYS 71 HA LYS 71 5.458 -0.123 -7.177 349 HB2 LYS 71 HB2 LYS 71 7.461 -1.932 -5.846 350 HB3 LYS 71 HB3 LYS 71 6.680 -2.247 -7.413 351 HG2 LYS 71 HG2 LYS 71 8.502 0.098 -6.771 352 HG3 LYS 71 HG3 LYS 71 8.964 -1.355 -7.689 353 HD2 LYS 71 HD2 LYS 71 6.670 0.442 -8.513 354 HD3 LYS 71 HD3 LYS 71 8.344 0.719 -9.053 355 HE2 LYS 71 HE2 LYS 71 6.972 -1.949 -9.399 356 HE3 LYS 71 HE3 LYS 71 6.786 -0.641 -10.590 357 HZ1 LYS 71 HZ1 LYS 71 8.571 -2.135 -11.180 358 HZ2 LYS 71 HZ2 LYS 71 9.175 -0.634 -10.857 359 HZ3 LYS 71 HZ3 LYS 71 9.344 -1.847 -9.753 360 H LEU 72 H LEU 72 3.466 -0.014 -5.705 361 HA LEU 72 HA LEU 72 2.859 -2.491 -4.319 362 HB2 LEU 72 HB2 LEU 72 1.324 -0.051 -4.868 363 HB3 LEU 72 HB3 LEU 72 0.648 -1.309 -3.807 364 HG LEU 72 HG LEU 72 3.177 0.299 -3.273 365 HD11 LEU 72 HD11 LEU 72 1.828 1.359 -1.442 366 HD12 LEU 72 HD12 LEU 72 1.105 1.665 -3.038 367 HD13 LEU 72 HD13 LEU 72 0.409 0.425 -1.968 368 HD21 LEU 72 HD21 LEU 72 3.101 -0.748 -1.036 369 HD22 LEU 72 HD22 LEU 72 1.708 -1.725 -1.560 370 HD23 LEU 72 HD23 LEU 72 3.290 -1.938 -2.346 371 H LEU 73 H LEU 73 1.808 -4.161 -5.184 372 HA LEU 73 HA LEU 73 0.136 -3.682 -7.561 373 HB2 LEU 73 HB2 LEU 73 1.793 -5.980 -6.811 374 HB3 LEU 73 HB3 LEU 73 0.709 -6.103 -8.215 375 HG LEU 73 HG LEU 73 2.992 -4.112 -7.952 376 HD11 LEU 73 HD11 LEU 73 4.171 -5.554 -9.633 377 HD12 LEU 73 HD12 LEU 73 3.845 -6.448 -8.130 378 HD13 LEU 73 HD13 LEU 73 2.822 -6.713 -9.562 379 HD21 LEU 73 HD21 LEU 73 2.617 -3.745 -10.367 380 HD22 LEU 73 HD22 LEU 73 1.234 -4.867 -10.305 381 HD23 LEU 73 HD23 LEU 73 1.190 -3.346 -9.382 382 H THR 74 H THR 74 -1.714 -5.076 -7.791 383 HA THR 74 HA THR 74 -2.545 -6.717 -5.579 384 HB THR 74 HB THR 74 -3.075 -4.469 -4.692 385 HG1 THR 74 HG1 THR 74 -5.296 -4.979 -4.270 386 HG21 THR 74 HG21 THR 74 -4.862 -3.148 -5.768 387 HG22 THR 74 HG22 THR 74 -3.459 -3.328 -6.850 388 HG23 THR 74 HG23 THR 74 -4.917 -4.314 -7.110 389 H ASP 75 H ASP 75 -4.353 -7.996 -6.052 390 HA ASP 75 HA ASP 75 -5.785 -7.515 -8.544 391 HB2 ASP 75 HB2 ASP 75 -3.805 -9.069 -9.117 392 HB3 ASP 75 HB3 ASP 75 -4.554 -10.099 -7.872 393 H GLY 76 H GLY 76 -7.601 -7.098 -7.269 394 HA2 GLY 76 HA2 GLY 76 -9.555 -7.647 -6.196 395 HA3 GLY 76 HA3 GLY 76 -9.234 -9.311 -6.665 396 H GLU 77 H GLU 77 -6.884 -7.632 -4.759 397 HA GLU 77 HA GLU 77 -7.799 -8.972 -2.323 398 HB2 GLU 77 HB2 GLU 77 -5.102 -9.356 -3.598 399 HB3 GLU 77 HB3 GLU 77 -5.498 -9.822 -1.926 400 HG2 GLU 77 HG2 GLU 77 -7.245 -11.436 -2.846 401 HG3 GLU 77 HG3 GLU 77 -6.750 -10.834 -4.444 402 H TRP 78 H TRP 78 -6.049 -8.439 -0.507 403 HA TRP 78 HA TRP 78 -5.760 -5.674 -0.161 404 HB2 TRP 78 HB2 TRP 78 -4.381 -6.192 1.719 405 HB3 TRP 78 HB3 TRP 78 -5.612 -7.449 1.627 406 HD1 TRP 78 HD1 TRP 78 -3.745 -8.806 -0.908 407 HE1 TRP 78 HE1 TRP 78 -1.842 -10.359 -0.136 408 HE3 TRP 78 HE3 TRP 78 -3.367 -7.272 3.954 409 HZ2 TRP 78 HZ2 TRP 78 -0.376 -10.866 2.221 410 HZ3 TRP 78 HZ3 TRP 78 -1.689 -8.343 5.401 411 HH2 TRP 78 HH2 TRP 78 -0.226 -10.103 4.551 412 H VAL 79 H VAL 79 -4.030 -4.273 -0.441 413 HA VAL 79 HA VAL 79 -2.486 -4.826 -2.794 414 HB VAL 79 HB VAL 79 -2.483 -2.397 -0.979 415 HG11 VAL 79 HG11 VAL 79 -1.361 -1.264 -2.870 416 HG12 VAL 79 HG12 VAL 79 -0.374 -2.608 -2.252 417 HG13 VAL 79 HG13 VAL 79 -1.303 -2.805 -3.758 418 HG21 VAL 79 HG21 VAL 79 -3.823 -1.362 -2.740 419 HG22 VAL 79 HG22 VAL 79 -3.852 -2.907 -3.624 420 HG23 VAL 79 HG23 VAL 79 -4.632 -2.778 -2.030 421 H TRP 80 H TRP 80 -0.402 -5.402 -2.958 422 HA TRP 80 HA TRP 80 1.118 -5.658 -0.444 423 HB2 TRP 80 HB2 TRP 80 2.047 -7.781 -1.274 424 HB3 TRP 80 HB3 TRP 80 0.270 -7.857 -1.249 425 HD1 TRP 80 HD1 TRP 80 3.134 -7.393 -3.612 426 HE1 TRP 80 HE1 TRP 80 2.403 -8.271 -6.062 427 HE3 TRP 80 HE3 TRP 80 -1.748 -8.387 -2.607 428 HZ2 TRP 80 HZ2 TRP 80 0.065 -9.205 -7.198 429 HZ3 TRP 80 HZ3 TRP 80 -3.193 -9.252 -4.342 430 HH2 TRP 80 HH2 TRP 80 -2.362 -9.678 -6.615 431 H VAL 81 H VAL 81 3.431 -5.593 -0.632 432 HA VAL 81 HA VAL 81 4.365 -3.809 -2.708 433 HB VAL 81 HB VAL 81 5.839 -5.076 -0.380 434 HG11 VAL 81 HG11 VAL 81 7.610 -3.425 -0.886 435 HG12 VAL 81 HG12 VAL 81 7.364 -4.540 -2.252 436 HG13 VAL 81 HG13 VAL 81 6.702 -2.890 -2.320 437 HG21 VAL 81 HG21 VAL 81 5.729 -2.841 0.600 438 HG22 VAL 81 HG22 VAL 81 4.752 -2.284 -0.781 439 HG23 VAL 81 HG23 VAL 81 4.112 -3.527 0.320 440 H GLU 82 H GLU 82 5.210 -4.449 -4.575 441 HA GLU 82 HA GLU 82 5.647 -6.949 -5.528 442 HB2 GLU 82 HB2 GLU 82 5.838 -4.952 -6.878 443 HB3 GLU 82 HB3 GLU 82 7.351 -4.522 -6.045 444 HG2 GLU 82 HG2 GLU 82 8.406 -6.644 -7.025 445 HG3 GLU 82 HG3 GLU 82 6.820 -6.887 -7.793 446 H GLY 83 H GLY 83 7.063 -8.575 -5.255 447 HA2 GLY 83 HA2 GLY 83 9.288 -9.396 -4.935 448 HA3 GLY 83 HA3 GLY 83 9.620 -7.998 -3.923 449 H TYR 84 H TYR 84 6.767 -8.685 -2.789 450 HA TYR 84 HA TYR 84 7.772 -10.678 -0.865 451 HB2 TYR 84 HB2 TYR 84 5.844 -8.405 -0.418 452 HB3 TYR 84 HB3 TYR 84 6.276 -9.640 0.790 453 HD1 TYR 84 HD1 TYR 84 8.733 -9.801 1.495 454 HD2 TYR 84 HD2 TYR 84 7.167 -6.468 -0.656 455 HE1 TYR 84 HE1 TYR 84 10.674 -8.445 2.204 456 HE2 TYR 84 HE2 TYR 84 9.106 -5.094 0.048 457 HH TYR 84 HH TYR 84 11.052 -5.033 1.216 458 H GLU 85 H GLU 85 6.464 -11.408 -3.266 459 HA GLU 85 HA GLU 85 3.751 -12.013 -2.946 460 HB2 GLU 85 HB2 GLU 85 4.015 -13.643 -4.645 461 HB3 GLU 85 HB3 GLU 85 5.012 -12.223 -5.045 462 HG2 GLU 85 HG2 GLU 85 6.266 -14.668 -3.694 463 HG3 GLU 85 HG3 GLU 85 5.927 -14.545 -5.436 464 H GLU 86 H GLU 86 6.538 -13.303 -1.404 465 HA GLU 86 HA GLU 86 5.501 -15.776 -0.534 466 HB2 GLU 86 HB2 GLU 86 7.854 -15.192 -0.392 467 HB3 GLU 86 HB3 GLU 86 7.471 -13.940 0.814 468 HG2 GLU 86 HG2 GLU 86 6.701 -15.765 2.407 469 HG3 GLU 86 HG3 GLU 86 7.063 -16.889 1.078 470 H HIS 87 H HIS 87 5.036 -12.493 0.573 471 HA HIS 87 HA HIS 87 4.035 -13.329 3.159 472 HB2 HIS 87 HB2 HIS 87 4.305 -10.590 1.905 473 HB3 HIS 87 HB3 HIS 87 3.766 -10.884 3.555 474 HD1 HIS 87 HD1 HIS 87 5.985 -9.268 3.910 475 HD2 HIS 87 HD2 HIS 87 6.620 -13.233 2.844 476 HE1 HIS 87 HE1 HIS 87 8.373 -9.756 4.529 477 H ILE 88 H ILE 88 2.768 -12.807 0.072 478 HA ILE 88 HA ILE 88 0.224 -11.773 0.605 479 HB ILE 88 HB ILE 88 1.149 -13.682 -1.555 480 HG12 ILE 88 HG12 ILE 88 0.494 -10.747 -1.612 481 HG13 ILE 88 HG13 ILE 88 2.128 -11.445 -1.514 482 HG21 ILE 88 HG21 ILE 88 -0.968 -13.137 -2.710 483 HG22 ILE 88 HG22 ILE 88 -1.276 -13.967 -1.168 484 HG23 ILE 88 HG23 ILE 88 -1.503 -12.207 -1.291 485 HD11 ILE 88 HD11 ILE 88 1.585 -10.769 -3.820 486 HD12 ILE 88 HD12 ILE 88 1.794 -12.532 -3.700 487 HD13 ILE 88 HD13 ILE 88 0.162 -11.834 -3.798 488 H GLY 89 H GLY 89 -1.423 -12.551 1.741 489 HA2 GLY 89 HA2 GLY 89 -2.992 -14.207 2.370 490 HA3 GLY 89 HA3 GLY 89 -1.839 -15.445 1.895 491 H LYS 90 H LYS 90 -0.013 -13.367 3.566 492 HA LYS 90 HA LYS 90 -0.531 -14.731 6.126 493 HB2 LYS 90 HB2 LYS 90 2.018 -13.827 4.835 494 HB3 LYS 90 HB3 LYS 90 1.909 -14.143 6.583 495 HG2 LYS 90 HG2 LYS 90 2.556 -16.232 5.997 496 HG3 LYS 90 HG3 LYS 90 0.831 -16.435 5.605 497 HD2 LYS 90 HD2 LYS 90 1.497 -15.510 3.266 498 HD3 LYS 90 HD3 LYS 90 3.159 -15.920 3.754 499 HE2 LYS 90 HE2 LYS 90 0.806 -17.835 3.689 500 HE3 LYS 90 HE3 LYS 90 2.089 -17.733 2.462 501 HZ1 LYS 90 HZ1 LYS 90 2.505 -19.495 4.039 502 HZ2 LYS 90 HZ2 LYS 90 3.674 -18.338 4.162 503 HZ3 LYS 90 HZ3 LYS 90 2.484 -18.432 5.301 504 H GLN 91 H GLN 91 -1.565 -13.388 7.456 505 HA GLN 91 HA GLN 91 -0.908 -10.536 7.422 506 HB2 GLN 91 HB2 GLN 91 -3.259 -11.188 7.269 507 HB3 GLN 91 HB3 GLN 91 -3.117 -12.015 8.839 508 HG2 GLN 91 HG2 GLN 91 -2.661 -9.572 9.900 509 HG3 GLN 91 HG3 GLN 91 -2.765 -9.228 8.157 510 HE21 GLN 91 HE21 GLN 91 -4.338 -8.070 10.303 511 HE22 GLN 91 HE22 GLN 91 -5.993 -8.473 9.986 512 H LEU 92 H LEU 92 0.768 -10.035 8.681 513 HA LEU 92 HA LEU 92 1.066 -11.431 11.253 514 HB2 LEU 92 HB2 LEU 92 3.076 -9.929 9.583 515 HB3 LEU 92 HB3 LEU 92 3.410 -10.610 11.174 516 HG LEU 92 HG LEU 92 2.528 -12.812 9.884 517 HD11 LEU 92 HD11 LEU 92 2.237 -11.693 7.760 518 HD12 LEU 92 HD12 LEU 92 3.570 -12.842 7.657 519 HD13 LEU 92 HD13 LEU 92 3.903 -11.117 7.804 520 HD21 LEU 92 HD21 LEU 92 4.667 -13.562 10.110 521 HD22 LEU 92 HD22 LEU 92 4.768 -12.115 11.113 522 HD23 LEU 92 HD23 LEU 92 5.375 -12.085 9.456 523 HA PRO 93 HA PRO 93 0.371 -7.672 13.471 524 HB2 PRO 93 HB2 PRO 93 1.782 -8.098 15.712 525 HB3 PRO 93 HB3 PRO 93 0.338 -9.045 15.335 526 HG2 PRO 93 HG2 PRO 93 3.224 -9.766 14.952 527 HG3 PRO 93 HG3 PRO 93 1.915 -10.740 15.643 528 HD2 PRO 93 HD2 PRO 93 2.757 -11.021 13.080 529 HD3 PRO 93 HD3 PRO 93 1.078 -11.312 13.576 530 H LEU 94 H LEU 94 1.914 -6.864 11.546 531 HA LEU 94 HA LEU 94 3.514 -5.379 10.911 532 HB2 LEU 94 HB2 LEU 94 3.537 -4.846 13.798 533 HB3 LEU 94 HB3 LEU 94 4.220 -3.678 12.643 534 HG LEU 94 HG LEU 94 1.298 -4.471 12.951 535 HD11 LEU 94 HD11 LEU 94 1.004 -2.048 13.533 536 HD12 LEU 94 HD12 LEU 94 2.131 -2.849 14.653 537 HD13 LEU 94 HD13 LEU 94 2.758 -1.807 13.353 538 HD21 LEU 94 HD21 LEU 94 0.838 -2.824 11.168 539 HD22 LEU 94 HD22 LEU 94 2.591 -2.605 10.941 540 HD23 LEU 94 HD23 LEU 94 1.840 -4.183 10.606 541 H ASN 95 H ASN 95 4.279 -8.104 11.862 542 HA ASN 95 HA ASN 95 7.038 -7.696 12.682 543 HB2 ASN 95 HB2 ASN 95 5.649 -10.404 12.087 544 HB3 ASN 95 HB3 ASN 95 7.321 -9.881 12.404 545 HD21 ASN 95 HD21 ASN 95 5.461 -11.624 13.908 546 HD22 ASN 95 HD22 ASN 95 5.393 -10.953 15.503 547 H GLN 96 H GLN 96 5.438 -9.306 9.923 548 HA GLN 96 HA GLN 96 7.613 -8.293 8.216 549 HB2 GLN 96 HB2 GLN 96 6.148 -10.918 8.010 550 HB3 GLN 96 HB3 GLN 96 7.276 -10.284 6.788 551 HG2 GLN 96 HG2 GLN 96 8.185 -11.162 9.670 552 HG3 GLN 96 HG3 GLN 96 8.178 -11.891 8.046 553 HE21 GLN 96 HE21 GLN 96 9.911 -10.038 10.273 554 HE22 GLN 96 HE22 GLN 96 11.130 -9.418 9.208 555 H ALA 97 H ALA 97 4.960 -7.167 8.862 556 HA ALA 97 HA ALA 97 3.098 -7.635 6.816 557 HB1 ALA 97 HB1 ALA 97 3.531 -5.425 8.774 558 HB2 ALA 97 HB2 ALA 97 2.347 -5.227 7.482 559 HB3 ALA 97 HB3 ALA 97 2.184 -6.554 8.630 560 H ARG 98 H ARG 98 3.298 -7.260 4.715 561 HA ARG 98 HA ARG 98 4.574 -4.760 3.850 562 HB2 ARG 98 HB2 ARG 98 5.081 -7.393 2.567 563 HB3 ARG 98 HB3 ARG 98 5.596 -5.801 1.961 564 HG2 ARG 98 HG2 ARG 98 6.428 -6.930 4.646 565 HG3 ARG 98 HG3 ARG 98 7.378 -7.132 3.156 566 HD2 ARG 98 HD2 ARG 98 7.506 -4.684 2.977 567 HD3 ARG 98 HD3 ARG 98 6.694 -4.570 4.555 568 HE ARG 98 HE ARG 98 9.557 -5.339 4.204 569 HH11 ARG 98 HH11 ARG 98 6.834 -5.138 6.373 570 HH12 ARG 98 HH12 ARG 98 7.912 -5.270 7.748 571 HH21 ARG 98 HH21 ARG 98 10.806 -5.482 5.769 572 HH22 ARG 98 HH22 ARG 98 10.177 -5.466 7.405 573 H ALA 99 H ALA 99 1.824 -5.215 4.196 574 HA ALA 99 HA ALA 99 0.781 -4.723 1.581 575 HB1 ALA 99 HB1 ALA 99 0.332 -7.402 2.855 576 HB2 ALA 99 HB2 ALA 99 -0.818 -6.716 1.708 577 HB3 ALA 99 HB3 ALA 99 0.844 -7.031 1.209 578 H TRP 100 H TRP 100 -1.369 -3.986 1.613 579 HA TRP 100 HA TRP 100 -2.695 -3.866 4.224 580 HB2 TRP 100 HB2 TRP 100 -2.324 -1.426 2.445 581 HB3 TRP 100 HB3 TRP 100 -3.156 -1.478 4.017 582 HD1 TRP 100 HD1 TRP 100 -1.799 -1.323 6.056 583 HE1 TRP 100 HE1 TRP 100 0.798 -0.816 6.607 584 HE3 TRP 100 HE3 TRP 100 0.077 -1.943 1.373 585 HZ2 TRP 100 HZ2 TRP 100 3.141 -0.745 5.144 586 HZ3 TRP 100 HZ3 TRP 100 2.443 -1.658 0.966 587 HH2 TRP 100 HH2 TRP 100 4.000 -1.074 2.775 588 H SER 101 H SER 101 -4.927 -3.839 4.146 589 HA SER 101 HA SER 101 -5.958 -5.071 1.769 590 HB2 SER 101 HB2 SER 101 -7.965 -5.452 3.033 591 HB3 SER 101 HB3 SER 101 -6.546 -5.831 4.038 592 HG SER 101 HG SER 101 -8.115 -4.605 5.160 593 H TRP 102 H TRP 102 -7.636 -4.343 0.442 594 HA TRP 102 HA TRP 102 -7.950 -1.603 -0.048 595 HB2 TRP 102 HB2 TRP 102 -9.395 -4.079 -0.861 596 HB3 TRP 102 HB3 TRP 102 -10.208 -2.537 -1.114 597 HD1 TRP 102 HD1 TRP 102 -8.078 -4.844 -2.903 598 HE1 TRP 102 HE1 TRP 102 -6.861 -3.701 -4.861 599 HE3 TRP 102 HE3 TRP 102 -8.853 0.037 -1.600 600 HZ2 TRP 102 HZ2 TRP 102 -6.301 -1.076 -5.736 601 HZ3 TRP 102 HZ3 TRP 102 -7.943 1.805 -3.050 602 HH2 TRP 102 HH2 TRP 102 -6.694 1.257 -5.075 603 H GLU 103 H GLU 103 -9.609 -3.774 2.131 604 HA GLU 103 HA GLU 103 -11.795 -2.091 2.754 605 HB2 GLU 103 HB2 GLU 103 -10.440 -4.291 4.287 606 HB3 GLU 103 HB3 GLU 103 -11.887 -3.436 4.876 607 HG2 GLU 103 HG2 GLU 103 -13.173 -4.275 2.868 608 HG3 GLU 103 HG3 GLU 103 -11.630 -4.972 2.324 609 H PHE 104 H PHE 104 -8.569 -2.455 4.155 610 HA PHE 104 HA PHE 104 -8.845 -0.539 6.201 611 HB2 PHE 104 HB2 PHE 104 -6.961 -2.107 6.170 612 HB3 PHE 104 HB3 PHE 104 -6.352 -1.363 4.676 613 HD1 PHE 104 HD1 PHE 104 -6.973 -0.788 8.274 614 HD2 PHE 104 HD2 PHE 104 -5.020 0.551 4.719 615 HE1 PHE 104 HE1 PHE 104 -5.626 0.794 9.613 616 HE2 PHE 104 HE2 PHE 104 -3.667 2.132 6.056 617 HZ PHE 104 HZ PHE 104 -3.973 2.254 8.504 618 H ILE 105 H ILE 105 -7.715 -0.250 2.850 619 HA ILE 105 HA ILE 105 -7.110 2.481 2.879 620 HB ILE 105 HB ILE 105 -8.021 0.683 0.621 621 HG12 ILE 105 HG12 ILE 105 -5.331 1.891 1.188 622 HG13 ILE 105 HG13 ILE 105 -5.846 0.290 1.769 623 HG21 ILE 105 HG21 ILE 105 -7.284 2.482 -0.906 624 HG22 ILE 105 HG22 ILE 105 -8.643 3.019 0.107 625 HG23 ILE 105 HG23 ILE 105 -6.988 3.546 0.491 626 HD11 ILE 105 HD11 ILE 105 -4.500 0.101 -0.285 627 HD12 ILE 105 HD12 ILE 105 -6.170 -0.451 -0.558 628 HD13 ILE 105 HD13 ILE 105 -5.654 1.150 -1.140 629 H LYS 106 H LYS 106 -10.149 0.800 2.176 630 HA LYS 106 HA LYS 106 -11.608 3.087 1.402 631 HB2 LYS 106 HB2 LYS 106 -12.426 0.393 2.435 632 HB3 LYS 106 HB3 LYS 106 -13.611 1.653 2.020 633 HG2 LYS 106 HG2 LYS 106 -12.895 1.659 -0.283 634 HG3 LYS 106 HG3 LYS 106 -11.539 0.569 0.088 635 HD2 LYS 106 HD2 LYS 106 -13.278 -0.742 -0.931 636 HD3 LYS 106 HD3 LYS 106 -13.211 -1.160 0.798 637 HE2 LYS 106 HE2 LYS 106 -15.105 0.315 1.252 638 HE3 LYS 106 HE3 LYS 106 -15.156 0.801 -0.459 639 HZ1 LYS 106 HZ1 LYS 106 -16.790 -0.887 0.036 640 HZ2 LYS 106 HZ2 LYS 106 -15.669 -1.477 -1.022 641 HZ3 LYS 106 HZ3 LYS 106 -15.623 -1.927 0.564 642 H ASN 107 H ASN 107 -11.068 1.539 4.520 643 HA ASN 107 HA ASN 107 -12.947 2.988 6.020 644 HB2 ASN 107 HB2 ASN 107 -10.361 1.655 7.087 645 HB3 ASN 107 HB3 ASN 107 -11.636 2.662 7.816 646 HD21 ASN 107 HD21 ASN 107 -10.828 -0.156 8.239 647 HD22 ASN 107 HD22 ASN 107 -12.274 -1.084 8.017 648 H ARG 108 H ARG 108 -9.590 3.684 5.170 649 HA ARG 108 HA ARG 108 -9.416 6.046 6.762 650 HB2 ARG 108 HB2 ARG 108 -7.677 5.087 4.550 651 HB3 ARG 108 HB3 ARG 108 -7.382 6.540 5.533 652 HG2 ARG 108 HG2 ARG 108 -7.592 3.714 6.616 653 HG3 ARG 108 HG3 ARG 108 -6.066 4.568 6.278 654 HD2 ARG 108 HD2 ARG 108 -6.696 6.266 7.918 655 HD3 ARG 108 HD3 ARG 108 -8.157 5.321 8.294 656 HE ARG 108 HE ARG 108 -5.765 3.704 8.801 657 HH11 ARG 108 HH11 ARG 108 -7.589 6.357 10.142 658 HH12 ARG 108 HH12 ARG 108 -7.050 5.923 11.751 659 HH21 ARG 108 HH21 ARG 108 -5.132 3.199 10.637 660 HH22 ARG 108 HH22 ARG 108 -5.648 4.122 12.035 661 H LEU 109 H LEU 109 -10.230 5.364 3.407 662 HA LEU 109 HA LEU 109 -10.406 8.037 2.518 663 HB2 LEU 109 HB2 LEU 109 -11.685 5.523 1.750 664 HB3 LEU 109 HB3 LEU 109 -12.035 6.963 0.766 665 HG LEU 109 HG LEU 109 -9.286 5.733 1.203 666 HD11 LEU 109 HD11 LEU 109 -9.450 5.100 -1.219 667 HD12 LEU 109 HD12 LEU 109 -10.741 4.336 -0.263 668 HD13 LEU 109 HD13 LEU 109 -11.101 5.762 -1.265 669 HD21 LEU 109 HD21 LEU 109 -8.545 7.322 -0.538 670 HD22 LEU 109 HD22 LEU 109 -10.179 8.029 -0.563 671 HD23 LEU 109 HD23 LEU 109 -9.186 8.138 0.909 672 H LYS 110 H LYS 110 -12.694 5.894 4.125 673 HA LYS 110 HA LYS 110 -14.927 7.636 3.998 674 HB2 LYS 110 HB2 LYS 110 -14.197 5.372 5.828 675 HB3 LYS 110 HB3 LYS 110 -15.711 6.295 6.000 676 HG2 LYS 110 HG2 LYS 110 -16.433 5.611 3.786 677 HG3 LYS 110 HG3 LYS 110 -14.879 4.794 3.496 678 HD2 LYS 110 HD2 LYS 110 -15.341 3.222 5.315 679 HD3 LYS 110 HD3 LYS 110 -16.874 4.056 5.663 680 HE2 LYS 110 HE2 LYS 110 -17.685 3.497 3.406 681 HE3 LYS 110 HE3 LYS 110 -16.158 2.653 3.070 682 HZ1 LYS 110 HZ1 LYS 110 -17.892 1.128 3.731 683 HZ2 LYS 110 HZ2 LYS 110 -16.682 1.131 4.853 684 HZ3 LYS 110 HZ3 LYS 110 -18.100 1.916 5.165 685 H GLU 111 H GLU 111 -12.239 7.300 6.239 686 HA GLU 111 HA GLU 111 -13.228 9.142 8.173 687 HB2 GLU 111 HB2 GLU 111 -10.485 8.091 7.553 688 HB3 GLU 111 HB3 GLU 111 -10.793 9.270 8.850 689 HG2 GLU 111 HG2 GLU 111 -12.316 7.580 9.976 690 HG3 GLU 111 HG3 GLU 111 -11.981 6.541 8.571 691 H LEU 112 H LEU 112 -11.360 9.443 5.225 692 HA LEU 112 HA LEU 112 -10.748 12.210 5.525 693 HB2 LEU 112 HB2 LEU 112 -10.971 10.384 3.249 694 HB3 LEU 112 HB3 LEU 112 -10.412 12.044 2.947 695 HG LEU 112 HG LEU 112 -9.036 9.958 4.682 696 HD11 LEU 112 HD11 LEU 112 -7.237 10.077 2.938 697 HD12 LEU 112 HD12 LEU 112 -8.785 9.550 2.236 698 HD13 LEU 112 HD13 LEU 112 -8.231 11.227 2.013 699 HD21 LEU 112 HD21 LEU 112 -7.221 11.621 4.897 700 HD22 LEU 112 HD22 LEU 112 -8.222 12.800 4.014 701 HD23 LEU 112 HD23 LEU 112 -8.757 12.186 5.597 702 H ASN 113 H ASN 113 -13.427 10.406 4.115 703 HA ASN 113 HA ASN 113 -14.801 12.637 3.041 704 HB2 ASN 113 HB2 ASN 113 -16.027 9.888 3.786 705 HB3 ASN 113 HB3 ASN 113 -16.675 11.429 3.172 706 HD21 ASN 113 HD21 ASN 113 -16.480 8.702 2.001 707 HD22 ASN 113 HD22 ASN 113 -15.693 8.923 0.474 708 H LEU 114 H LEU 114 -14.778 11.100 6.204 709 HA LEU 114 HA LEU 114 -16.897 12.766 7.231 710 HB2 LEU 114 HB2 LEU 114 -14.959 10.924 8.430 711 HB3 LEU 114 HB3 LEU 114 -16.190 11.674 9.471 712 HG LEU 114 HG LEU 114 -16.704 9.798 7.130 713 HD11 LEU 114 HD11 LEU 114 -17.538 8.233 8.905 714 HD12 LEU 114 HD12 LEU 114 -15.826 8.644 9.159 715 HD13 LEU 114 HD13 LEU 114 -17.084 9.425 10.146 716 HD21 LEU 114 HD21 LEU 114 -19.070 9.890 7.836 717 HD22 LEU 114 HD22 LEU 114 -18.640 11.117 9.053 718 HD23 LEU 114 HD23 LEU 114 -18.444 11.475 7.321 Start of MODEL 14 1 H1 GLY 29 H1 GLY 29 -1.653 -23.988 1.255 2 H2 GLY 29 H2 GLY 29 -1.225 -23.292 2.513 3 H3 GLY 29 H3 GLY 29 -1.822 -22.504 1.384 4 HA2 GLY 29 HA2 GLY 29 0.936 -22.994 1.765 5 HA3 GLY 29 HA3 GLY 29 0.433 -23.809 0.292 6 H SER 30 H SER 30 0.888 -20.717 1.857 7 HA SER 30 HA SER 30 -0.481 -19.067 0.103 8 HB2 SER 30 HB2 SER 30 1.997 -18.525 1.728 9 HB3 SER 30 HB3 SER 30 1.063 -17.269 0.883 10 HG SER 30 HG SER 30 0.458 -17.500 3.080 11 H GLU 31 H GLU 31 2.617 -20.610 -0.265 12 HA GLU 31 HA GLU 31 3.714 -18.729 -2.093 13 HB2 GLU 31 HB2 GLU 31 5.084 -20.163 -0.673 14 HB3 GLU 31 HB3 GLU 31 4.502 -21.587 -1.569 15 HG2 GLU 31 HG2 GLU 31 5.629 -20.670 -3.661 16 HG3 GLU 31 HG3 GLU 31 6.092 -19.293 -2.636 17 H GLU 32 H GLU 32 3.902 -18.861 -4.392 18 HA GLU 32 HA GLU 32 1.565 -20.315 -5.432 19 HB2 GLU 32 HB2 GLU 32 0.918 -18.112 -4.523 20 HB3 GLU 32 HB3 GLU 32 2.027 -17.351 -5.689 21 HG2 GLU 32 HG2 GLU 32 0.612 -18.310 -7.580 22 HG3 GLU 32 HG3 GLU 32 -0.373 -19.028 -6.287 23 H LYS 33 H LYS 33 3.075 -21.557 -6.658 24 HA LYS 33 HA LYS 33 4.506 -20.165 -8.784 25 HB2 LYS 33 HB2 LYS 33 4.335 -23.077 -8.048 26 HB3 LYS 33 HB3 LYS 33 5.271 -22.436 -9.418 27 HG2 LYS 33 HG2 LYS 33 6.682 -21.155 -7.888 28 HG3 LYS 33 HG3 LYS 33 5.717 -21.715 -6.502 29 HD2 LYS 33 HD2 LYS 33 6.374 -24.034 -6.965 30 HD3 LYS 33 HD3 LYS 33 7.318 -23.492 -8.374 31 HE2 LYS 33 HE2 LYS 33 8.675 -22.064 -6.821 32 HE3 LYS 33 HE3 LYS 33 7.814 -22.818 -5.460 33 HZ1 LYS 33 HZ1 LYS 33 9.914 -23.899 -5.892 34 HZ2 LYS 33 HZ2 LYS 33 8.670 -24.944 -6.180 35 HZ3 LYS 33 HZ3 LYS 33 9.469 -24.244 -7.443 36 H GLU 34 H GLU 34 2.748 -19.352 -9.981 37 HA GLU 34 HA GLU 34 1.572 -21.354 -11.757 38 HB2 GLU 34 HB2 GLU 34 0.015 -19.261 -10.259 39 HB3 GLU 34 HB3 GLU 34 -0.609 -20.141 -11.676 40 HG2 GLU 34 HG2 GLU 34 -0.379 -22.313 -10.372 41 HG3 GLU 34 HG3 GLU 34 0.284 -21.301 -9.069 42 H GLU 35 H GLU 35 0.115 -18.303 -11.921 43 HA GLU 35 HA GLU 35 2.164 -17.273 -13.766 44 HB2 GLU 35 HB2 GLU 35 -0.825 -17.134 -14.088 45 HB3 GLU 35 HB3 GLU 35 0.346 -16.236 -15.084 46 HG2 GLU 35 HG2 GLU 35 1.290 -18.477 -15.877 47 HG3 GLU 35 HG3 GLU 35 0.048 -19.199 -14.826 48 H LYS 36 H LYS 36 2.451 -15.022 -13.796 49 HA LYS 36 HA LYS 36 1.735 -13.826 -11.225 50 HB2 LYS 36 HB2 LYS 36 4.105 -14.032 -11.876 51 HB3 LYS 36 HB3 LYS 36 3.785 -12.941 -13.245 52 HG2 LYS 36 HG2 LYS 36 3.148 -11.158 -11.653 53 HG3 LYS 36 HG3 LYS 36 3.518 -12.249 -10.298 54 HD2 LYS 36 HD2 LYS 36 5.850 -12.375 -10.985 55 HD3 LYS 36 HD3 LYS 36 5.508 -11.386 -12.424 56 HE2 LYS 36 HE2 LYS 36 4.872 -9.501 -10.991 57 HE3 LYS 36 HE3 LYS 36 5.185 -10.488 -9.544 58 HZ1 LYS 36 HZ1 LYS 36 7.040 -9.049 -10.057 59 HZ2 LYS 36 HZ2 LYS 36 7.488 -10.628 -10.217 60 HZ3 LYS 36 HZ3 LYS 36 7.197 -9.713 -11.559 61 H LYS 37 H LYS 37 -0.325 -13.863 -13.093 62 HA LYS 37 HA LYS 37 -0.406 -11.379 -14.543 63 HB2 LYS 37 HB2 LYS 37 -1.500 -13.524 -15.248 64 HB3 LYS 37 HB3 LYS 37 -2.697 -13.235 -13.963 65 HG2 LYS 37 HG2 LYS 37 -3.847 -12.281 -15.684 66 HG3 LYS 37 HG3 LYS 37 -2.862 -10.871 -15.228 67 HD2 LYS 37 HD2 LYS 37 -1.829 -12.859 -17.242 68 HD3 LYS 37 HD3 LYS 37 -2.998 -11.612 -17.740 69 HE2 LYS 37 HE2 LYS 37 -1.501 -9.864 -16.871 70 HE3 LYS 37 HE3 LYS 37 -0.330 -11.110 -16.383 71 HZ1 LYS 37 HZ1 LYS 37 0.253 -10.121 -18.492 72 HZ2 LYS 37 HZ2 LYS 37 -0.110 -11.717 -18.698 73 HZ3 LYS 37 HZ3 LYS 37 -1.195 -10.561 -19.150 74 H VAL 38 H VAL 38 -0.927 -9.471 -13.716 75 HA VAL 38 HA VAL 38 -2.813 -9.315 -11.485 76 HB VAL 38 HB VAL 38 -1.316 -7.686 -10.292 77 HG11 VAL 38 HG11 VAL 38 0.129 -9.426 -9.293 78 HG12 VAL 38 HG12 VAL 38 -1.524 -10.034 -9.547 79 HG13 VAL 38 HG13 VAL 38 -0.222 -10.504 -10.664 80 HG21 VAL 38 HG21 VAL 38 1.074 -7.716 -10.799 81 HG22 VAL 38 HG22 VAL 38 0.758 -8.733 -12.225 82 HG23 VAL 38 HG23 VAL 38 0.111 -7.075 -12.152 83 H ARG 39 H ARG 39 -3.019 -6.809 -10.913 84 HA ARG 39 HA ARG 39 -3.761 -5.565 -13.453 85 HB2 ARG 39 HB2 ARG 39 -4.584 -4.765 -10.710 86 HB3 ARG 39 HB3 ARG 39 -5.165 -4.094 -12.252 87 HG2 ARG 39 HG2 ARG 39 -5.522 -6.973 -11.369 88 HG3 ARG 39 HG3 ARG 39 -6.755 -5.699 -11.199 89 HD2 ARG 39 HD2 ARG 39 -5.579 -6.700 -13.774 90 HD3 ARG 39 HD3 ARG 39 -7.167 -7.134 -13.097 91 HE ARG 39 HE ARG 39 -6.602 -4.576 -14.511 92 HH11 ARG 39 HH11 ARG 39 -8.793 -6.307 -12.423 93 HH12 ARG 39 HH12 ARG 39 -10.073 -5.178 -12.820 94 HH21 ARG 39 HH21 ARG 39 -8.060 -3.281 -14.984 95 HH22 ARG 39 HH22 ARG 39 -9.657 -3.452 -14.282 96 H GLU 40 H GLU 40 -3.548 -3.108 -13.533 97 HA GLU 40 HA GLU 40 -0.678 -2.811 -13.465 98 HB2 GLU 40 HB2 GLU 40 -0.957 -0.989 -14.948 99 HB3 GLU 40 HB3 GLU 40 -2.027 -2.314 -15.468 100 HG2 GLU 40 HG2 GLU 40 -3.981 -1.069 -14.378 101 HG3 GLU 40 HG3 GLU 40 -2.764 0.158 -13.959 102 H LEU 41 H LEU 41 0.184 -0.516 -13.032 103 HA LEU 41 HA LEU 41 -1.020 0.507 -10.551 104 HB2 LEU 41 HB2 LEU 41 1.667 0.426 -11.667 105 HB3 LEU 41 HB3 LEU 41 1.396 1.625 -10.382 106 HG LEU 41 HG LEU 41 0.664 -0.253 -8.883 107 HD11 LEU 41 HD11 LEU 41 1.319 -2.580 -9.557 108 HD12 LEU 41 HD12 LEU 41 0.112 -1.900 -10.672 109 HD13 LEU 41 HD13 LEU 41 1.827 -1.961 -11.144 110 HD21 LEU 41 HD21 LEU 41 2.948 -1.072 -8.416 111 HD22 LEU 41 HD22 LEU 41 3.484 -0.418 -9.983 112 HD23 LEU 41 HD23 LEU 41 2.895 0.682 -8.714 113 H THR 42 H THR 42 -2.389 2.098 -11.100 114 HA THR 42 HA THR 42 -1.634 4.049 -13.131 115 HB THR 42 HB THR 42 -3.886 4.975 -12.859 116 HG1 THR 42 HG1 THR 42 -5.308 3.880 -11.367 117 HG21 THR 42 HG21 THR 42 -5.181 3.000 -13.582 118 HG22 THR 42 HG22 THR 42 -3.581 3.037 -14.363 119 HG23 THR 42 HG23 THR 42 -3.881 1.934 -12.999 120 HA PRO 43 HA PRO 43 -0.371 7.316 -10.402 121 HB2 PRO 43 HB2 PRO 43 -1.593 9.483 -11.560 122 HB3 PRO 43 HB3 PRO 43 -0.117 8.736 -12.186 123 HG2 PRO 43 HG2 PRO 43 -2.992 8.299 -13.058 124 HG3 PRO 43 HG3 PRO 43 -1.553 8.537 -14.057 125 HD2 PRO 43 HD2 PRO 43 -2.534 6.039 -13.655 126 HD3 PRO 43 HD3 PRO 43 -0.787 6.300 -13.724 127 H GLN 44 H GLN 44 -3.792 6.935 -11.159 128 HA GLN 44 HA GLN 44 -4.763 8.399 -8.921 129 HB2 GLN 44 HB2 GLN 44 -6.106 7.888 -10.913 130 HB3 GLN 44 HB3 GLN 44 -6.071 6.166 -10.467 131 HG2 GLN 44 HG2 GLN 44 -8.318 7.051 -9.526 132 HG3 GLN 44 HG3 GLN 44 -6.968 6.749 -8.407 133 HE21 GLN 44 HE21 GLN 44 -7.903 8.129 -6.848 134 HE22 GLN 44 HE22 GLN 44 -7.857 9.851 -7.019 135 H GLU 45 H GLU 45 -4.029 4.985 -9.489 136 HA GLU 45 HA GLU 45 -5.034 4.040 -7.018 137 HB2 GLU 45 HB2 GLU 45 -3.070 2.931 -8.995 138 HB3 GLU 45 HB3 GLU 45 -3.488 2.077 -7.489 139 HG2 GLU 45 HG2 GLU 45 -5.824 1.800 -8.232 140 HG3 GLU 45 HG3 GLU 45 -5.487 3.002 -9.499 141 H LEU 46 H LEU 46 -1.896 5.258 -8.033 142 HA LEU 46 HA LEU 46 -0.537 4.357 -5.672 143 HB2 LEU 46 HB2 LEU 46 0.118 6.181 -7.867 144 HB3 LEU 46 HB3 LEU 46 1.363 5.847 -6.643 145 HG LEU 46 HG LEU 46 0.081 3.824 -8.520 146 HD11 LEU 46 HD11 LEU 46 2.388 3.663 -9.493 147 HD12 LEU 46 HD12 LEU 46 1.742 5.314 -9.633 148 HD13 LEU 46 HD13 LEU 46 2.934 4.929 -8.369 149 HD21 LEU 46 HD21 LEU 46 1.705 2.218 -7.577 150 HD22 LEU 46 HD22 LEU 46 2.231 3.459 -6.414 151 HD23 LEU 46 HD23 LEU 46 0.565 2.837 -6.357 152 H GLU 47 H GLU 47 -1.908 7.396 -6.813 153 HA GLU 47 HA GLU 47 -0.833 8.982 -4.701 154 HB2 GLU 47 HB2 GLU 47 -3.035 9.426 -6.693 155 HB3 GLU 47 HB3 GLU 47 -2.609 10.628 -5.451 156 HG2 GLU 47 HG2 GLU 47 -0.294 10.807 -6.440 157 HG3 GLU 47 HG3 GLU 47 -0.788 9.493 -7.532 158 H LEU 48 H LEU 48 -4.023 7.544 -5.316 159 HA LEU 48 HA LEU 48 -5.245 8.520 -2.963 160 HB2 LEU 48 HB2 LEU 48 -7.049 7.118 -3.476 161 HB3 LEU 48 HB3 LEU 48 -6.369 7.590 -5.032 162 HG LEU 48 HG LEU 48 -5.125 5.334 -4.929 163 HD11 LEU 48 HD11 LEU 48 -5.627 3.828 -3.355 164 HD12 LEU 48 HD12 LEU 48 -7.344 4.228 -3.382 165 HD13 LEU 48 HD13 LEU 48 -6.226 5.209 -2.433 166 HD21 LEU 48 HD21 LEU 48 -6.705 4.489 -6.313 167 HD22 LEU 48 HD22 LEU 48 -7.342 6.129 -6.196 168 HD23 LEU 48 HD23 LEU 48 -8.029 4.842 -5.203 169 H PHE 49 H PHE 49 -3.149 5.836 -3.590 170 HA PHE 49 HA PHE 49 -3.673 4.293 -1.294 171 HB2 PHE 49 HB2 PHE 49 -2.347 3.373 -3.121 172 HB3 PHE 49 HB3 PHE 49 -1.096 4.611 -2.871 173 HD1 PHE 49 HD1 PHE 49 -2.734 1.663 -1.349 174 HD2 PHE 49 HD2 PHE 49 0.610 4.320 -1.317 175 HE1 PHE 49 HE1 PHE 49 -1.551 0.152 0.210 176 HE2 PHE 49 HE2 PHE 49 1.798 2.811 0.240 177 HZ PHE 49 HZ PHE 49 0.716 0.727 1.004 178 H LYS 50 H LYS 50 -1.071 6.666 -1.865 179 HA LYS 50 HA LYS 50 -0.228 6.727 0.839 180 HB2 LYS 50 HB2 LYS 50 1.130 8.596 0.237 181 HB3 LYS 50 HB3 LYS 50 1.209 7.350 -1.030 182 HG2 LYS 50 HG2 LYS 50 -0.315 8.638 -2.434 183 HG3 LYS 50 HG3 LYS 50 -0.490 9.864 -1.156 184 HD2 LYS 50 HD2 LYS 50 1.922 10.362 -1.313 185 HD3 LYS 50 HD3 LYS 50 2.082 9.149 -2.606 186 HE2 LYS 50 HE2 LYS 50 0.499 10.428 -3.994 187 HE3 LYS 50 HE3 LYS 50 0.359 11.645 -2.705 188 HZ1 LYS 50 HZ1 LYS 50 1.913 12.325 -4.403 189 HZ2 LYS 50 HZ2 LYS 50 2.702 12.104 -2.971 190 HZ3 LYS 50 HZ3 LYS 50 2.832 10.975 -4.167 191 H ARG 51 H ARG 51 -2.631 8.492 -0.975 192 HA ARG 51 HA ARG 51 -3.006 10.637 0.821 193 HB2 ARG 51 HB2 ARG 51 -3.765 10.774 -1.411 194 HB3 ARG 51 HB3 ARG 51 -4.935 9.467 -1.117 195 HG2 ARG 51 HG2 ARG 51 -6.138 10.865 0.479 196 HG3 ARG 51 HG3 ARG 51 -4.938 12.165 0.270 197 HD2 ARG 51 HD2 ARG 51 -5.607 12.420 -2.033 198 HD3 ARG 51 HD3 ARG 51 -6.791 11.107 -1.841 199 HE ARG 51 HE ARG 51 -7.489 13.215 0.023 200 HH11 ARG 51 HH11 ARG 51 -7.380 12.697 -3.423 201 HH12 ARG 51 HH12 ARG 51 -8.706 13.821 -3.640 202 HH21 ARG 51 HH21 ARG 51 -9.003 14.512 -0.210 203 HH22 ARG 51 HH22 ARG 51 -9.633 14.858 -1.809 204 H ALA 52 H ALA 52 -4.745 7.549 0.464 205 HA ALA 52 HA ALA 52 -6.379 7.939 2.761 206 HB1 ALA 52 HB1 ALA 52 -7.025 5.628 2.476 207 HB2 ALA 52 HB2 ALA 52 -6.983 6.429 0.906 208 HB3 ALA 52 HB3 ALA 52 -5.670 5.352 1.382 209 H MET 53 H MET 53 -3.285 6.349 2.182 210 HA MET 53 HA MET 53 -3.061 5.090 4.699 211 HB2 MET 53 HB2 MET 53 -1.750 4.583 2.637 212 HB3 MET 53 HB3 MET 53 -0.813 6.063 2.956 213 HG2 MET 53 HG2 MET 53 0.421 4.133 3.752 214 HG3 MET 53 HG3 MET 53 -0.109 5.124 5.131 215 HE1 MET 53 HE1 MET 53 -1.898 1.029 3.911 216 HE2 MET 53 HE2 MET 53 -2.028 2.471 2.875 217 HE3 MET 53 HE3 MET 53 -0.433 1.752 3.205 218 H GLY 54 H GLY 54 -2.501 8.346 3.625 219 HA2 GLY 54 HA2 GLY 54 -2.207 10.247 4.923 220 HA3 GLY 54 HA3 GLY 54 -2.117 9.223 6.348 221 H ILE 55 H ILE 55 -0.107 8.805 3.501 222 HA ILE 55 HA ILE 55 2.236 8.709 5.126 223 HB ILE 55 HB ILE 55 1.909 8.677 2.111 224 HG12 ILE 55 HG12 ILE 55 2.559 6.464 4.039 225 HG13 ILE 55 HG13 ILE 55 0.935 6.817 3.403 226 HG21 ILE 55 HG21 ILE 55 4.252 7.890 2.060 227 HG22 ILE 55 HG22 ILE 55 4.142 9.527 2.747 228 HG23 ILE 55 HG23 ILE 55 4.370 8.126 3.820 229 HD11 ILE 55 HD11 ILE 55 1.999 4.980 2.154 230 HD12 ILE 55 HD12 ILE 55 1.740 6.398 1.112 231 HD13 ILE 55 HD13 ILE 55 3.363 6.044 1.747 232 H THR 56 H THR 56 3.459 10.345 5.768 233 HA THR 56 HA THR 56 3.053 12.968 4.525 234 HB THR 56 HB THR 56 3.980 13.949 6.541 235 HG1 THR 56 HG1 THR 56 4.436 11.238 7.329 236 HG21 THR 56 HG21 THR 56 2.326 13.157 8.194 237 HG22 THR 56 HG22 THR 56 1.590 13.320 6.580 238 HG23 THR 56 HG23 THR 56 2.025 11.711 7.202 239 HA PRO 57 HA PRO 57 7.094 13.329 2.778 240 HB2 PRO 57 HB2 PRO 57 7.826 15.866 3.559 241 HB3 PRO 57 HB3 PRO 57 6.724 15.518 2.220 242 HG2 PRO 57 HG2 PRO 57 6.064 16.231 5.098 243 HG3 PRO 57 HG3 PRO 57 5.348 16.857 3.606 244 HD2 PRO 57 HD2 PRO 57 4.053 14.945 5.013 245 HD3 PRO 57 HD3 PRO 57 4.045 14.880 3.246 246 H HIS 58 H HIS 58 6.597 13.714 6.189 247 HA HIS 58 HA HIS 58 9.322 13.658 6.988 248 HB2 HIS 58 HB2 HIS 58 7.612 14.405 8.564 249 HB3 HIS 58 HB3 HIS 58 6.824 12.809 8.499 250 HD1 HIS 58 HD1 HIS 58 10.115 14.383 9.590 251 HD2 HIS 58 HD2 HIS 58 7.710 11.048 10.511 252 HE1 HIS 58 HE1 HIS 58 11.206 13.264 11.468 253 H ASN 59 H ASN 59 6.853 11.123 6.642 254 HA ASN 59 HA ASN 59 8.997 9.114 6.843 255 HB2 ASN 59 HB2 ASN 59 7.292 7.500 7.777 256 HB3 ASN 59 HB3 ASN 59 7.419 9.154 8.424 257 HD21 ASN 59 HD21 ASN 59 5.240 7.467 8.850 258 HD22 ASN 59 HD22 ASN 59 3.851 8.155 8.074 259 H TYR 60 H TYR 60 8.010 10.704 4.470 260 HA TYR 60 HA TYR 60 6.691 8.918 2.709 261 HB2 TYR 60 HB2 TYR 60 6.715 11.322 2.359 262 HB3 TYR 60 HB3 TYR 60 8.478 11.269 2.111 263 HD1 TYR 60 HD1 TYR 60 5.230 10.113 0.692 264 HD2 TYR 60 HD2 TYR 60 9.378 10.790 -0.027 265 HE1 TYR 60 HE1 TYR 60 4.869 9.702 -1.725 266 HE2 TYR 60 HE2 TYR 60 9.037 10.383 -2.442 267 HH TYR 60 HH TYR 60 7.542 9.872 -4.081 268 H TRP 61 H TRP 61 10.112 9.742 3.178 269 HA TRP 61 HA TRP 61 11.100 7.948 1.220 270 HB2 TRP 61 HB2 TRP 61 13.302 8.354 2.200 271 HB3 TRP 61 HB3 TRP 61 12.400 9.889 2.140 272 HD1 TRP 61 HD1 TRP 61 11.723 10.940 4.301 273 HE1 TRP 61 HE1 TRP 61 12.517 10.638 6.866 274 HE3 TRP 61 HE3 TRP 61 14.078 6.462 3.816 275 HZ2 TRP 61 HZ2 TRP 61 13.918 8.719 8.278 276 HZ3 TRP 61 HZ3 TRP 61 15.120 5.424 5.734 277 HH2 TRP 61 HH2 TRP 61 15.074 6.480 7.953 278 H GLN 62 H GLN 62 10.164 7.589 4.555 279 HA GLN 62 HA GLN 62 11.356 5.042 4.980 280 HB2 GLN 62 HB2 GLN 62 9.042 6.445 6.293 281 HB3 GLN 62 HB3 GLN 62 9.650 4.856 6.816 282 HG2 GLN 62 HG2 GLN 62 11.981 6.103 7.365 283 HG3 GLN 62 HG3 GLN 62 11.010 7.400 6.629 284 HE21 GLN 62 HE21 GLN 62 12.268 7.493 9.196 285 HE22 GLN 62 HE22 GLN 62 11.019 7.632 10.388 286 H TRP 63 H TRP 63 8.060 6.052 4.100 287 HA TRP 63 HA TRP 63 7.044 3.450 3.701 288 HB2 TRP 63 HB2 TRP 63 6.213 6.202 2.925 289 HB3 TRP 63 HB3 TRP 63 5.473 4.853 2.068 290 HD1 TRP 63 HD1 TRP 63 5.474 6.630 5.414 291 HE1 TRP 63 HE1 TRP 63 3.610 5.647 6.892 292 HE3 TRP 63 HE3 TRP 63 4.178 2.615 2.527 293 HZ2 TRP 63 HZ2 TRP 63 1.828 3.460 6.842 294 HZ3 TRP 63 HZ3 TRP 63 2.384 1.126 3.315 295 HH2 TRP 63 HH2 TRP 63 1.234 1.540 5.428 296 H ALA 64 H ALA 64 8.819 5.656 1.633 297 HA ALA 64 HA ALA 64 8.456 4.375 -0.827 298 HB1 ALA 64 HB1 ALA 64 9.481 6.383 -1.126 299 HB2 ALA 64 HB2 ALA 64 10.487 6.211 0.312 300 HB3 ALA 64 HB3 ALA 64 10.906 5.344 -1.165 301 H SER 65 H SER 65 10.915 3.865 1.684 302 HA SER 65 HA SER 65 12.229 1.764 0.259 303 HB2 SER 65 HB2 SER 65 13.527 1.444 2.261 304 HB3 SER 65 HB3 SER 65 13.367 3.182 1.914 305 HG SER 65 HG SER 65 13.018 2.681 4.121 306 H ARG 66 H ARG 66 9.543 1.954 2.437 307 HA ARG 66 HA ARG 66 9.539 -0.816 3.170 308 HB2 ARG 66 HB2 ARG 66 8.617 0.675 4.692 309 HB3 ARG 66 HB3 ARG 66 7.472 1.296 3.480 310 HG2 ARG 66 HG2 ARG 66 6.420 -0.970 3.402 311 HG3 ARG 66 HG3 ARG 66 7.493 -1.466 4.732 312 HD2 ARG 66 HD2 ARG 66 5.544 0.806 4.895 313 HD3 ARG 66 HD3 ARG 66 5.186 -0.867 5.386 314 HE ARG 66 HE ARG 66 7.376 -0.183 7.010 315 HH11 ARG 66 HH11 ARG 66 4.364 1.444 6.350 316 HH12 ARG 66 HH12 ARG 66 4.378 2.137 7.961 317 HH21 ARG 66 HH21 ARG 66 7.412 0.609 8.854 318 HH22 ARG 66 HH22 ARG 66 6.117 1.661 9.388 319 H THR 67 H THR 67 8.106 1.112 0.619 320 HA THR 67 HA THR 67 6.292 -1.088 -0.078 321 HB THR 67 HB THR 67 5.084 0.588 -1.464 322 HG1 THR 67 HG1 THR 67 6.966 2.400 -0.296 323 HG21 THR 67 HG21 THR 67 4.164 1.887 0.424 324 HG22 THR 67 HG22 THR 67 4.407 0.183 0.877 325 HG23 THR 67 HG23 THR 67 5.559 1.424 1.424 326 H ASN 68 H ASN 68 9.257 -0.680 -0.783 327 HA ASN 68 HA ASN 68 10.659 -0.918 -2.565 328 HB2 ASN 68 HB2 ASN 68 9.116 -3.174 -2.749 329 HB3 ASN 68 HB3 ASN 68 8.454 -2.026 -3.937 330 HD21 ASN 68 HD21 ASN 68 9.519 -4.601 -4.479 331 HD22 ASN 68 HD22 ASN 68 10.898 -4.391 -5.506 332 H ASN 69 H ASN 69 10.016 1.541 -2.685 333 HA ASN 69 HA ASN 69 9.777 3.371 -4.017 334 HB2 ASN 69 HB2 ASN 69 11.080 1.699 -5.822 335 HB3 ASN 69 HB3 ASN 69 9.356 1.750 -6.263 336 HD21 ASN 69 HD21 ASN 69 10.289 2.587 -8.272 337 HD22 ASN 69 HD22 ASN 69 10.559 4.293 -8.402 338 H PHE 70 H PHE 70 7.478 2.143 -2.878 339 HA PHE 70 HA PHE 70 5.204 2.125 -2.971 340 HB2 PHE 70 HB2 PHE 70 5.673 4.265 -5.076 341 HB3 PHE 70 HB3 PHE 70 4.121 3.935 -4.273 342 HD1 PHE 70 HD1 PHE 70 3.947 4.265 -1.798 343 HD2 PHE 70 HD2 PHE 70 7.266 5.645 -4.107 344 HE1 PHE 70 HE1 PHE 70 4.542 5.846 0.007 345 HE2 PHE 70 HE2 PHE 70 7.865 7.227 -2.303 346 HZ PHE 70 HZ PHE 70 6.503 7.326 -0.247 347 H LYS 71 H LYS 71 6.732 0.319 -4.725 348 HA LYS 71 HA LYS 71 4.935 -0.040 -6.996 349 HB2 LYS 71 HB2 LYS 71 7.402 -0.263 -7.224 350 HB3 LYS 71 HB3 LYS 71 7.306 -1.707 -6.188 351 HG2 LYS 71 HG2 LYS 71 7.385 -2.528 -8.409 352 HG3 LYS 71 HG3 LYS 71 5.684 -2.662 -7.905 353 HD2 LYS 71 HD2 LYS 71 5.341 -0.375 -8.999 354 HD3 LYS 71 HD3 LYS 71 6.947 -0.603 -9.731 355 HE2 LYS 71 HE2 LYS 71 4.614 -2.520 -10.016 356 HE3 LYS 71 HE3 LYS 71 5.073 -1.293 -11.220 357 HZ1 LYS 71 HZ1 LYS 71 5.976 -3.451 -11.759 358 HZ2 LYS 71 HZ2 LYS 71 7.198 -2.392 -11.433 359 HZ3 LYS 71 HZ3 LYS 71 6.771 -3.530 -10.316 360 H LEU 72 H LEU 72 3.043 -0.945 -6.453 361 HA LEU 72 HA LEU 72 3.107 -3.413 -4.857 362 HB2 LEU 72 HB2 LEU 72 0.985 -1.287 -4.625 363 HB3 LEU 72 HB3 LEU 72 1.119 -2.765 -3.674 364 HG LEU 72 HG LEU 72 3.447 -1.647 -3.010 365 HD11 LEU 72 HD11 LEU 72 3.506 0.645 -3.031 366 HD12 LEU 72 HD12 LEU 72 1.754 0.800 -3.149 367 HD13 LEU 72 HD13 LEU 72 2.694 0.322 -4.562 368 HD21 LEU 72 HD21 LEU 72 1.920 -0.428 -1.183 369 HD22 LEU 72 HD22 LEU 72 2.195 -2.170 -1.198 370 HD23 LEU 72 HD23 LEU 72 0.714 -1.505 -1.891 371 H LEU 73 H LEU 73 1.582 -4.977 -5.398 372 HA LEU 73 HA LEU 73 0.188 -4.499 -7.950 373 HB2 LEU 73 HB2 LEU 73 1.490 -6.913 -6.903 374 HB3 LEU 73 HB3 LEU 73 0.636 -6.955 -8.463 375 HG LEU 73 HG LEU 73 3.053 -5.209 -7.866 376 HD11 LEU 73 HD11 LEU 73 4.330 -6.834 -9.287 377 HD12 LEU 73 HD12 LEU 73 3.670 -7.625 -7.838 378 HD13 LEU 73 HD13 LEU 73 2.873 -7.846 -9.414 379 HD21 LEU 73 HD21 LEU 73 3.119 -4.910 -10.318 380 HD22 LEU 73 HD22 LEU 73 1.633 -5.883 -10.459 381 HD23 LEU 73 HD23 LEU 73 1.601 -4.326 -9.596 382 H THR 74 H THR 74 -1.763 -5.689 -8.305 383 HA THR 74 HA THR 74 -2.841 -7.435 -6.331 384 HB THR 74 HB THR 74 -3.248 -5.305 -5.152 385 HG1 THR 74 HG1 THR 74 -5.532 -5.675 -4.909 386 HG21 THR 74 HG21 THR 74 -4.872 -3.699 -6.093 387 HG22 THR 74 HG22 THR 74 -3.435 -3.842 -7.134 388 HG23 THR 74 HG23 THR 74 -4.950 -4.656 -7.592 389 H ASP 75 H ASP 75 -4.752 -8.471 -7.025 390 HA ASP 75 HA ASP 75 -6.089 -7.404 -9.393 391 HB2 ASP 75 HB2 ASP 75 -4.436 -9.199 -10.208 392 HB3 ASP 75 HB3 ASP 75 -5.327 -10.225 -9.055 393 H GLY 76 H GLY 76 -7.929 -6.882 -8.302 394 HA2 GLY 76 HA2 GLY 76 -9.962 -7.200 -7.284 395 HA3 GLY 76 HA3 GLY 76 -9.824 -8.888 -7.753 396 H GLU 77 H GLU 77 -7.402 -7.412 -5.734 397 HA GLU 77 HA GLU 77 -8.462 -8.793 -3.382 398 HB2 GLU 77 HB2 GLU 77 -5.765 -9.307 -4.614 399 HB3 GLU 77 HB3 GLU 77 -6.239 -9.822 -2.977 400 HG2 GLU 77 HG2 GLU 77 -8.066 -11.265 -4.017 401 HG3 GLU 77 HG3 GLU 77 -7.488 -10.623 -5.572 402 H TRP 78 H TRP 78 -6.716 -8.464 -1.513 403 HA TRP 78 HA TRP 78 -6.226 -5.742 -1.050 404 HB2 TRP 78 HB2 TRP 78 -4.952 -6.433 0.843 405 HB3 TRP 78 HB3 TRP 78 -6.257 -7.602 0.665 406 HD1 TRP 78 HD1 TRP 78 -4.575 -9.129 -1.808 407 HE1 TRP 78 HE1 TRP 78 -2.733 -10.770 -1.077 408 HE3 TRP 78 HE3 TRP 78 -3.838 -7.450 2.966 409 HZ2 TRP 78 HZ2 TRP 78 -1.173 -11.286 1.219 410 HZ3 TRP 78 HZ3 TRP 78 -2.153 -8.572 4.362 411 HH2 TRP 78 HH2 TRP 78 -0.849 -10.451 3.506 412 H VAL 79 H VAL 79 -4.286 -4.536 -1.089 413 HA VAL 79 HA VAL 79 -2.605 -5.176 -3.361 414 HB VAL 79 HB VAL 79 -2.630 -2.744 -1.550 415 HG11 VAL 79 HG11 VAL 79 -1.213 -1.707 -3.289 416 HG12 VAL 79 HG12 VAL 79 -0.407 -3.117 -2.563 417 HG13 VAL 79 HG13 VAL 79 -1.162 -3.253 -4.169 418 HG21 VAL 79 HG21 VAL 79 -3.672 -1.623 -3.455 419 HG22 VAL 79 HG22 VAL 79 -3.710 -3.167 -4.340 420 HG23 VAL 79 HG23 VAL 79 -4.663 -2.972 -2.848 421 H TRP 80 H TRP 80 -0.549 -5.868 -3.302 422 HA TRP 80 HA TRP 80 0.866 -5.804 -0.720 423 HB2 TRP 80 HB2 TRP 80 1.882 -7.987 -1.220 424 HB3 TRP 80 HB3 TRP 80 0.107 -8.122 -1.240 425 HD1 TRP 80 HD1 TRP 80 3.101 -8.182 -3.422 426 HE1 TRP 80 HE1 TRP 80 2.463 -9.304 -5.796 427 HE3 TRP 80 HE3 TRP 80 -1.931 -8.477 -2.765 428 HZ2 TRP 80 HZ2 TRP 80 0.124 -10.121 -7.021 429 HZ3 TRP 80 HZ3 TRP 80 -3.330 -9.408 -4.502 430 HH2 TRP 80 HH2 TRP 80 -2.382 -10.235 -6.613 431 H VAL 81 H VAL 81 3.219 -5.815 -0.904 432 HA VAL 81 HA VAL 81 4.058 -4.085 -3.079 433 HB VAL 81 HB VAL 81 5.575 -5.028 -0.625 434 HG11 VAL 81 HG11 VAL 81 7.169 -3.229 -1.204 435 HG12 VAL 81 HG12 VAL 81 7.082 -4.447 -2.498 436 HG13 VAL 81 HG13 VAL 81 6.247 -2.886 -2.685 437 HG21 VAL 81 HG21 VAL 81 5.200 -2.761 0.205 438 HG22 VAL 81 HG22 VAL 81 4.206 -2.402 -1.226 439 HG23 VAL 81 HG23 VAL 81 3.675 -3.637 -0.059 440 H GLU 82 H GLU 82 5.296 -4.660 -4.757 441 HA GLU 82 HA GLU 82 5.678 -7.300 -5.508 442 HB2 GLU 82 HB2 GLU 82 5.728 -5.410 -7.045 443 HB3 GLU 82 HB3 GLU 82 7.283 -4.893 -6.346 444 HG2 GLU 82 HG2 GLU 82 8.341 -7.031 -7.206 445 HG3 GLU 82 HG3 GLU 82 6.711 -7.457 -7.772 446 H GLY 83 H GLY 83 7.115 -8.833 -5.013 447 HA2 GLY 83 HA2 GLY 83 9.270 -9.660 -4.468 448 HA3 GLY 83 HA3 GLY 83 9.691 -8.072 -3.843 449 H TYR 84 H TYR 84 6.952 -8.141 -2.441 450 HA TYR 84 HA TYR 84 7.814 -9.824 -0.181 451 HB2 TYR 84 HB2 TYR 84 6.123 -7.330 -0.195 452 HB3 TYR 84 HB3 TYR 84 6.454 -8.334 1.237 453 HD1 TYR 84 HD1 TYR 84 8.908 -8.617 1.940 454 HD2 TYR 84 HD2 TYR 84 7.621 -5.616 -0.803 455 HE1 TYR 84 HE1 TYR 84 10.991 -7.354 2.359 456 HE2 TYR 84 HE2 TYR 84 9.702 -4.337 -0.393 457 HH TYR 84 HH TYR 84 12.207 -5.492 1.869 458 H GLU 85 H GLU 85 5.927 -10.185 -2.672 459 HA GLU 85 HA GLU 85 3.454 -11.042 -1.696 460 HB2 GLU 85 HB2 GLU 85 3.331 -12.496 -3.592 461 HB3 GLU 85 HB3 GLU 85 4.010 -10.918 -4.061 462 HG2 GLU 85 HG2 GLU 85 5.892 -13.252 -3.467 463 HG3 GLU 85 HG3 GLU 85 4.982 -13.087 -4.986 464 H GLU 86 H GLU 86 6.608 -12.268 -1.123 465 HA GLU 86 HA GLU 86 5.988 -14.845 -0.197 466 HB2 GLU 86 HB2 GLU 86 8.260 -14.056 -0.510 467 HB3 GLU 86 HB3 GLU 86 8.041 -12.889 0.817 468 HG2 GLU 86 HG2 GLU 86 7.801 -14.821 2.437 469 HG3 GLU 86 HG3 GLU 86 7.926 -15.870 1.007 470 H HIS 87 H HIS 87 5.581 -11.676 1.244 471 HA HIS 87 HA HIS 87 5.128 -12.652 3.898 472 HB2 HIS 87 HB2 HIS 87 4.695 -9.930 2.626 473 HB3 HIS 87 HB3 HIS 87 4.358 -10.274 4.340 474 HD1 HIS 87 HD1 HIS 87 6.223 -8.250 4.442 475 HD2 HIS 87 HD2 HIS 87 7.637 -12.108 3.511 476 HE1 HIS 87 HE1 HIS 87 8.636 -8.190 4.813 477 H ILE 88 H ILE 88 3.232 -12.462 1.097 478 HA ILE 88 HA ILE 88 0.669 -11.992 2.064 479 HB ILE 88 HB ILE 88 1.608 -13.792 -0.180 480 HG12 ILE 88 HG12 ILE 88 0.270 -11.100 -0.202 481 HG13 ILE 88 HG13 ILE 88 2.021 -11.380 -0.350 482 HG21 ILE 88 HG21 ILE 88 -0.745 -13.813 -0.938 483 HG22 ILE 88 HG22 ILE 88 -0.579 -14.589 0.654 484 HG23 ILE 88 HG23 ILE 88 -1.227 -12.937 0.533 485 HD11 ILE 88 HD11 ILE 88 0.988 -11.016 -2.557 486 HD12 ILE 88 HD12 ILE 88 1.641 -12.665 -2.418 487 HD13 ILE 88 HD13 ILE 88 -0.110 -12.384 -2.270 488 H GLY 89 H GLY 89 -0.621 -13.049 3.424 489 HA2 GLY 89 HA2 GLY 89 -1.647 -14.899 4.430 490 HA3 GLY 89 HA3 GLY 89 -0.429 -15.939 3.706 491 H LYS 90 H LYS 90 0.965 -13.256 5.187 492 HA LYS 90 HA LYS 90 1.371 -14.744 7.699 493 HB2 LYS 90 HB2 LYS 90 3.279 -13.068 6.086 494 HB3 LYS 90 HB3 LYS 90 3.552 -13.374 7.796 495 HG2 LYS 90 HG2 LYS 90 4.724 -15.123 7.014 496 HG3 LYS 90 HG3 LYS 90 3.134 -15.888 6.941 497 HD2 LYS 90 HD2 LYS 90 2.950 -15.080 4.578 498 HD3 LYS 90 HD3 LYS 90 4.630 -14.547 4.691 499 HE2 LYS 90 HE2 LYS 90 3.825 -17.372 5.307 500 HE3 LYS 90 HE3 LYS 90 4.162 -16.847 3.658 501 HZ1 LYS 90 HZ1 LYS 90 6.352 -16.016 4.584 502 HZ2 LYS 90 HZ2 LYS 90 6.171 -17.693 4.455 503 HZ3 LYS 90 HZ3 LYS 90 6.014 -16.938 5.962 504 H GLN 91 H GLN 91 0.159 -13.810 9.216 505 HA GLN 91 HA GLN 91 -0.659 -11.114 9.232 506 HB2 GLN 91 HB2 GLN 91 -1.772 -12.971 10.434 507 HB3 GLN 91 HB3 GLN 91 -0.409 -12.983 11.579 508 HG2 GLN 91 HG2 GLN 91 -1.171 -10.464 12.234 509 HG3 GLN 91 HG3 GLN 91 -2.306 -10.900 10.935 510 HE21 GLN 91 HE21 GLN 91 -3.129 -10.023 13.471 511 HE22 GLN 91 HE22 GLN 91 -3.922 -11.332 14.280 512 H LEU 92 H LEU 92 0.831 -9.534 9.217 513 HA LEU 92 HA LEU 92 2.929 -9.616 11.285 514 HB2 LEU 92 HB2 LEU 92 2.975 -8.525 8.561 515 HB3 LEU 92 HB3 LEU 92 4.367 -8.284 9.642 516 HG LEU 92 HG LEU 92 3.339 -10.946 8.583 517 HD11 LEU 92 HD11 LEU 92 5.530 -11.009 7.362 518 HD12 LEU 92 HD12 LEU 92 4.561 -9.597 6.879 519 HD13 LEU 92 HD13 LEU 92 5.920 -9.398 8.012 520 HD21 LEU 92 HD21 LEU 92 5.327 -11.923 9.676 521 HD22 LEU 92 HD22 LEU 92 5.706 -10.328 10.371 522 HD23 LEU 92 HD23 LEU 92 4.207 -11.168 10.834 523 HA PRO 93 HA PRO 93 1.533 -5.681 12.719 524 HB2 PRO 93 HB2 PRO 93 3.864 -4.538 13.545 525 HB3 PRO 93 HB3 PRO 93 3.060 -5.839 14.432 526 HG2 PRO 93 HG2 PRO 93 5.372 -6.015 12.470 527 HG3 PRO 93 HG3 PRO 93 5.192 -6.797 14.046 528 HD2 PRO 93 HD2 PRO 93 4.673 -8.161 11.738 529 HD3 PRO 93 HD3 PRO 93 3.727 -8.469 13.200 530 H LEU 94 H LEU 94 1.816 -3.328 12.378 531 HA LEU 94 HA LEU 94 1.752 -2.726 9.647 532 HB2 LEU 94 HB2 LEU 94 2.071 -1.106 12.063 533 HB3 LEU 94 HB3 LEU 94 1.838 -0.266 10.512 534 HG LEU 94 HG LEU 94 -0.122 -2.176 11.843 535 HD11 LEU 94 HD11 LEU 94 -1.556 -0.130 12.073 536 HD12 LEU 94 HD12 LEU 94 -0.014 0.061 12.937 537 HD13 LEU 94 HD13 LEU 94 -0.252 0.845 11.358 538 HD21 LEU 94 HD21 LEU 94 -1.663 -1.543 10.018 539 HD22 LEU 94 HD22 LEU 94 -0.356 -0.599 9.264 540 HD23 LEU 94 HD23 LEU 94 -0.199 -2.365 9.427 541 H ASN 95 H ASN 95 4.373 -2.754 11.922 542 HA ASN 95 HA ASN 95 6.212 -1.251 10.344 543 HB2 ASN 95 HB2 ASN 95 6.897 -3.171 12.680 544 HB3 ASN 95 HB3 ASN 95 7.845 -2.211 11.518 545 HD21 ASN 95 HD21 ASN 95 7.513 -2.073 14.470 546 HD22 ASN 95 HD22 ASN 95 7.062 -0.432 14.796 547 H GLN 96 H GLN 96 5.474 -4.689 10.689 548 HA GLN 96 HA GLN 96 7.456 -5.314 8.618 549 HB2 GLN 96 HB2 GLN 96 5.933 -7.156 10.452 550 HB3 GLN 96 HB3 GLN 96 7.193 -7.637 9.291 551 HG2 GLN 96 HG2 GLN 96 7.776 -5.980 11.900 552 HG3 GLN 96 HG3 GLN 96 7.951 -7.668 11.366 553 HE21 GLN 96 HE21 GLN 96 9.535 -4.782 11.763 554 HE22 GLN 96 HE22 GLN 96 10.836 -5.007 10.640 555 H ALA 97 H ALA 97 4.588 -4.211 8.384 556 HA ALA 97 HA ALA 97 3.277 -6.315 6.868 557 HB1 ALA 97 HB1 ALA 97 1.517 -5.264 7.739 558 HB2 ALA 97 HB2 ALA 97 2.468 -3.833 8.138 559 HB3 ALA 97 HB3 ALA 97 1.788 -4.018 6.522 560 H ARG 98 H ARG 98 3.130 -6.427 4.691 561 HA ARG 98 HA ARG 98 4.106 -4.153 3.106 562 HB2 ARG 98 HB2 ARG 98 4.868 -6.976 2.558 563 HB3 ARG 98 HB3 ARG 98 5.254 -5.546 1.572 564 HG2 ARG 98 HG2 ARG 98 6.147 -5.910 4.444 565 HG3 ARG 98 HG3 ARG 98 7.130 -6.379 3.036 566 HD2 ARG 98 HD2 ARG 98 7.043 -4.044 2.273 567 HD3 ARG 98 HD3 ARG 98 6.204 -3.626 3.785 568 HE ARG 98 HE ARG 98 9.128 -4.195 3.603 569 HH11 ARG 98 HH11 ARG 98 6.370 -3.740 5.687 570 HH12 ARG 98 HH12 ARG 98 7.437 -3.445 7.045 571 HH21 ARG 98 HH21 ARG 98 10.363 -3.851 5.146 572 HH22 ARG 98 HH22 ARG 98 9.715 -3.507 6.738 573 H ALA 99 H ALA 99 1.417 -4.925 3.724 574 HA ALA 99 HA ALA 99 0.329 -4.888 1.092 575 HB1 ALA 99 HB1 ALA 99 0.649 -7.207 0.989 576 HB2 ALA 99 HB2 ALA 99 0.151 -7.439 2.665 577 HB3 ALA 99 HB3 ALA 99 -1.043 -7.011 1.439 578 H TRP 100 H TRP 100 -1.744 -4.120 1.076 579 HA TRP 100 HA TRP 100 -3.258 -4.087 3.576 580 HB2 TRP 100 HB2 TRP 100 -2.730 -1.551 1.979 581 HB3 TRP 100 HB3 TRP 100 -3.693 -1.688 3.469 582 HD1 TRP 100 HD1 TRP 100 -2.526 -1.545 5.603 583 HE1 TRP 100 HE1 TRP 100 0.020 -1.133 6.407 584 HE3 TRP 100 HE3 TRP 100 -0.229 -2.190 1.115 585 HZ2 TRP 100 HZ2 TRP 100 2.495 -1.129 5.176 586 HZ3 TRP 100 HZ3 TRP 100 2.173 -1.983 0.939 587 HH2 TRP 100 HH2 TRP 100 3.567 -1.467 2.898 588 H SER 101 H SER 101 -5.502 -3.836 3.310 589 HA SER 101 HA SER 101 -6.404 -4.950 0.815 590 HB2 SER 101 HB2 SER 101 -7.323 -5.846 2.824 591 HB3 SER 101 HB3 SER 101 -7.835 -4.232 3.368 592 HG SER 101 HG SER 101 -9.546 -5.469 2.463 593 H TRP 102 H TRP 102 -7.766 -4.025 -0.695 594 HA TRP 102 HA TRP 102 -8.034 -1.266 -1.015 595 HB2 TRP 102 HB2 TRP 102 -9.376 -3.667 -2.128 596 HB3 TRP 102 HB3 TRP 102 -10.227 -2.134 -2.300 597 HD1 TRP 102 HD1 TRP 102 -7.859 -4.207 -4.102 598 HE1 TRP 102 HE1 TRP 102 -6.575 -2.856 -5.879 599 HE3 TRP 102 HE3 TRP 102 -9.003 0.514 -2.512 600 HZ2 TRP 102 HZ2 TRP 102 -6.110 -0.146 -6.519 601 HZ3 TRP 102 HZ3 TRP 102 -8.098 2.432 -3.761 602 HH2 TRP 102 HH2 TRP 102 -6.682 2.106 -5.723 603 H GLU 103 H GLU 103 -9.933 -3.552 0.839 604 HA GLU 103 HA GLU 103 -12.041 -1.759 1.500 605 HB2 GLU 103 HB2 GLU 103 -11.003 -4.261 2.798 606 HB3 GLU 103 HB3 GLU 103 -12.388 -3.340 3.436 607 HG2 GLU 103 HG2 GLU 103 -12.273 -4.723 0.687 608 HG3 GLU 103 HG3 GLU 103 -13.124 -5.198 2.174 609 H PHE 104 H PHE 104 -8.903 -2.493 2.918 610 HA PHE 104 HA PHE 104 -9.146 -0.849 5.203 611 HB2 PHE 104 HB2 PHE 104 -7.346 -2.500 5.026 612 HB3 PHE 104 HB3 PHE 104 -6.659 -1.623 3.640 613 HD1 PHE 104 HD1 PHE 104 -7.401 -1.361 7.263 614 HD2 PHE 104 HD2 PHE 104 -5.164 0.123 3.939 615 HE1 PHE 104 HE1 PHE 104 -6.004 -0.024 8.802 616 HE2 PHE 104 HE2 PHE 104 -3.764 1.459 5.476 617 HZ PHE 104 HZ PHE 104 -4.185 1.387 7.908 618 H ILE 105 H ILE 105 -7.845 -0.214 1.956 619 HA ILE 105 HA ILE 105 -7.173 2.471 2.324 620 HB ILE 105 HB ILE 105 -8.052 0.981 -0.159 621 HG12 ILE 105 HG12 ILE 105 -5.354 2.023 0.652 622 HG13 ILE 105 HG13 ILE 105 -5.937 0.376 0.989 623 HG21 ILE 105 HG21 ILE 105 -7.212 2.922 -1.439 624 HG22 ILE 105 HG22 ILE 105 -8.591 3.381 -0.415 625 HG23 ILE 105 HG23 ILE 105 -6.936 3.805 0.081 626 HD11 ILE 105 HD11 ILE 105 -4.511 0.422 -1.019 627 HD12 ILE 105 HD12 ILE 105 -6.182 -0.033 -1.428 628 HD13 ILE 105 HD13 ILE 105 -5.600 1.614 -1.765 629 H LYS 106 H LYS 106 -10.236 0.981 1.359 630 HA LYS 106 HA LYS 106 -11.661 3.360 0.882 631 HB2 LYS 106 HB2 LYS 106 -12.509 0.593 1.668 632 HB3 LYS 106 HB3 LYS 106 -13.681 1.912 1.436 633 HG2 LYS 106 HG2 LYS 106 -13.142 2.116 -0.874 634 HG3 LYS 106 HG3 LYS 106 -11.695 1.093 -0.699 635 HD2 LYS 106 HD2 LYS 106 -13.470 -0.181 -1.768 636 HD3 LYS 106 HD3 LYS 106 -13.149 -0.834 -0.144 637 HE2 LYS 106 HE2 LYS 106 -15.072 0.383 0.748 638 HE3 LYS 106 HE3 LYS 106 -15.381 1.095 -0.850 639 HZ1 LYS 106 HZ1 LYS 106 -16.805 -0.790 -0.428 640 HZ2 LYS 106 HZ2 LYS 106 -15.791 -1.119 -1.687 641 HZ3 LYS 106 HZ3 LYS 106 -15.506 -1.780 -0.202 642 H ASN 107 H ASN 107 -11.324 1.378 3.809 643 HA ASN 107 HA ASN 107 -12.971 2.934 5.472 644 HB2 ASN 107 HB2 ASN 107 -10.665 1.072 6.388 645 HB3 ASN 107 HB3 ASN 107 -11.799 2.165 7.218 646 HD21 ASN 107 HD21 ASN 107 -11.445 -0.778 7.277 647 HD22 ASN 107 HD22 ASN 107 -13.007 -1.430 6.913 648 H ARG 108 H ARG 108 -9.571 3.199 4.605 649 HA ARG 108 HA ARG 108 -8.906 5.222 6.476 650 HB2 ARG 108 HB2 ARG 108 -7.602 4.350 3.963 651 HB3 ARG 108 HB3 ARG 108 -7.012 5.712 4.943 652 HG2 ARG 108 HG2 ARG 108 -7.401 2.898 6.001 653 HG3 ARG 108 HG3 ARG 108 -5.857 3.519 5.370 654 HD2 ARG 108 HD2 ARG 108 -7.371 4.688 7.681 655 HD3 ARG 108 HD3 ARG 108 -6.024 3.532 7.812 656 HE ARG 108 HE ARG 108 -4.971 5.812 6.431 657 HH11 ARG 108 HH11 ARG 108 -6.430 5.213 9.540 658 HH12 ARG 108 HH12 ARG 108 -5.476 6.505 10.243 659 HH21 ARG 108 HH21 ARG 108 -3.879 7.300 7.220 660 HH22 ARG 108 HH22 ARG 108 -4.020 7.697 8.920 661 H LEU 109 H LEU 109 -10.086 5.292 3.145 662 HA LEU 109 HA LEU 109 -10.063 8.115 2.868 663 HB2 LEU 109 HB2 LEU 109 -11.585 5.937 1.637 664 HB3 LEU 109 HB3 LEU 109 -11.820 7.585 1.009 665 HG LEU 109 HG LEU 109 -9.205 6.028 1.018 666 HD11 LEU 109 HD11 LEU 109 -9.497 6.010 -1.474 667 HD12 LEU 109 HD12 LEU 109 -10.843 5.178 -0.660 668 HD13 LEU 109 HD13 LEU 109 -11.063 6.831 -1.281 669 HD21 LEU 109 HD21 LEU 109 -8.334 7.902 -0.336 670 HD22 LEU 109 HD22 LEU 109 -9.878 8.758 -0.115 671 HD23 LEU 109 HD23 LEU 109 -8.844 8.409 1.291 672 H LYS 110 H LYS 110 -12.385 5.818 4.163 673 HA LYS 110 HA LYS 110 -14.507 7.656 4.549 674 HB2 LYS 110 HB2 LYS 110 -13.801 5.051 5.866 675 HB3 LYS 110 HB3 LYS 110 -15.250 5.991 6.296 676 HG2 LYS 110 HG2 LYS 110 -16.099 5.779 4.016 677 HG3 LYS 110 HG3 LYS 110 -14.623 4.913 3.527 678 HD2 LYS 110 HD2 LYS 110 -15.152 3.097 5.086 679 HD3 LYS 110 HD3 LYS 110 -16.608 3.968 5.622 680 HE2 LYS 110 HE2 LYS 110 -17.518 3.847 3.338 681 HE3 LYS 110 HE3 LYS 110 -16.065 2.968 2.809 682 HZ1 LYS 110 HZ1 LYS 110 -17.888 1.475 3.276 683 HZ2 LYS 110 HZ2 LYS 110 -16.652 1.209 4.337 684 HZ3 LYS 110 HZ3 LYS 110 -17.999 2.025 4.826 685 H GLU 111 H GLU 111 -11.642 6.852 6.385 686 HA GLU 111 HA GLU 111 -12.364 8.251 8.755 687 HB2 GLU 111 HB2 GLU 111 -9.711 7.420 7.611 688 HB3 GLU 111 HB3 GLU 111 -9.885 8.251 9.176 689 HG2 GLU 111 HG2 GLU 111 -11.002 5.467 8.486 690 HG3 GLU 111 HG3 GLU 111 -9.618 5.932 9.501 691 H LEU 112 H LEU 112 -10.974 9.183 5.699 692 HA LEU 112 HA LEU 112 -10.077 11.763 6.538 693 HB2 LEU 112 HB2 LEU 112 -10.708 10.547 3.951 694 HB3 LEU 112 HB3 LEU 112 -10.018 12.187 3.977 695 HG LEU 112 HG LEU 112 -8.690 9.639 4.978 696 HD11 LEU 112 HD11 LEU 112 -7.066 10.076 3.117 697 HD12 LEU 112 HD12 LEU 112 -8.718 9.859 2.495 698 HD13 LEU 112 HD13 LEU 112 -8.026 11.493 2.633 699 HD21 LEU 112 HD21 LEU 112 -6.708 11.057 5.383 700 HD22 LEU 112 HD22 LEU 112 -7.668 12.492 4.947 701 HD23 LEU 112 HD23 LEU 112 -8.106 11.530 6.378 702 H ASN 113 H ASN 113 -13.094 10.434 5.453 703 HA ASN 113 HA ASN 113 -14.246 13.101 5.090 704 HB2 ASN 113 HB2 ASN 113 -15.615 10.413 4.368 705 HB3 ASN 113 HB3 ASN 113 -16.098 12.126 4.430 706 HD21 ASN 113 HD21 ASN 113 -15.714 10.047 2.246 707 HD22 ASN 113 HD22 ASN 113 -14.762 10.867 1.054 708 H LEU 114 H LEU 114 -15.766 13.958 6.419 709 HA LEU 114 HA LEU 114 -16.371 12.434 8.864 710 HB2 LEU 114 HB2 LEU 114 -16.292 15.316 8.313 711 HB3 LEU 114 HB3 LEU 114 -16.708 14.721 9.937 712 HG LEU 114 HG LEU 114 -14.038 14.436 8.508 713 HD11 LEU 114 HD11 LEU 114 -13.193 15.837 10.410 714 HD12 LEU 114 HD12 LEU 114 -14.455 16.689 9.491 715 HD13 LEU 114 HD13 LEU 114 -14.849 15.933 11.053 716 HD21 LEU 114 HD21 LEU 114 -13.244 13.346 10.577 717 HD22 LEU 114 HD22 LEU 114 -14.905 13.393 11.218 718 HD23 LEU 114 HD23 LEU 114 -14.536 12.428 9.770 Start of MODEL 15 1 H1 GLY 29 H1 GLY 29 13.634 -1.698 -10.353 2 H2 GLY 29 H2 GLY 29 13.909 -1.527 -8.888 3 H3 GLY 29 H3 GLY 29 13.906 -2.899 -9.495 4 HA2 GLY 29 HA2 GLY 29 11.676 -1.616 -8.325 5 HA3 GLY 29 HA3 GLY 29 11.353 -1.817 -10.041 6 H SER 30 H SER 30 13.172 -4.511 -9.582 7 HA SER 30 HA SER 30 13.194 -5.266 -7.120 8 HB2 SER 30 HB2 SER 30 10.894 -4.817 -6.697 9 HB3 SER 30 HB3 SER 30 10.390 -5.880 -8.031 10 HG SER 30 HG SER 30 10.193 -6.887 -5.992 11 H GLU 31 H GLU 31 11.185 -7.180 -9.342 12 HA GLU 31 HA GLU 31 13.253 -8.763 -10.394 13 HB2 GLU 31 HB2 GLU 31 13.533 -9.492 -8.102 14 HB3 GLU 31 HB3 GLU 31 11.815 -9.950 -8.032 15 HG2 GLU 31 HG2 GLU 31 12.235 -11.756 -9.739 16 HG3 GLU 31 HG3 GLU 31 13.886 -11.104 -9.851 17 H GLU 32 H GLU 32 12.148 -8.772 -12.303 18 HA GLU 32 HA GLU 32 9.474 -9.966 -12.345 19 HB2 GLU 32 HB2 GLU 32 9.132 -7.586 -12.083 20 HB3 GLU 32 HB3 GLU 32 10.175 -7.271 -13.491 21 HG2 GLU 32 HG2 GLU 32 8.464 -8.459 -14.960 22 HG3 GLU 32 HG3 GLU 32 7.563 -8.726 -13.451 23 H LYS 33 H LYS 33 9.606 -11.579 -13.758 24 HA LYS 33 HA LYS 33 10.830 -10.996 -16.376 25 HB2 LYS 33 HB2 LYS 33 10.659 -13.646 -14.958 26 HB3 LYS 33 HB3 LYS 33 11.242 -13.405 -16.622 27 HG2 LYS 33 HG2 LYS 33 13.093 -12.023 -15.782 28 HG3 LYS 33 HG3 LYS 33 12.507 -12.243 -14.116 29 HD2 LYS 33 HD2 LYS 33 12.820 -14.698 -14.365 30 HD3 LYS 33 HD3 LYS 33 13.496 -14.420 -15.988 31 HE2 LYS 33 HE2 LYS 33 15.282 -13.040 -15.003 32 HE3 LYS 33 HE3 LYS 33 14.612 -13.336 -13.383 33 HZ1 LYS 33 HZ1 LYS 33 16.445 -14.808 -13.870 34 HZ2 LYS 33 HZ2 LYS 33 15.053 -15.677 -13.699 35 HZ3 LYS 33 HZ3 LYS 33 15.675 -15.401 -15.202 36 H GLU 34 H GLU 34 8.150 -12.406 -14.610 37 HA GLU 34 HA GLU 34 6.342 -11.498 -16.556 38 HB2 GLU 34 HB2 GLU 34 7.136 -13.345 -17.877 39 HB3 GLU 34 HB3 GLU 34 6.818 -14.470 -16.535 40 HG2 GLU 34 HG2 GLU 34 4.346 -14.065 -16.791 41 HG3 GLU 34 HG3 GLU 34 4.788 -12.836 -17.999 42 H GLU 35 H GLU 35 4.733 -10.860 -15.231 43 HA GLU 35 HA GLU 35 3.346 -13.077 -13.918 44 HB2 GLU 35 HB2 GLU 35 3.736 -10.340 -12.729 45 HB3 GLU 35 HB3 GLU 35 2.582 -11.552 -12.121 46 HG2 GLU 35 HG2 GLU 35 4.578 -13.103 -11.664 47 HG3 GLU 35 HG3 GLU 35 5.562 -11.750 -12.269 48 H LYS 36 H LYS 36 1.551 -13.323 -15.067 49 HA LYS 36 HA LYS 36 0.324 -10.975 -16.319 50 HB2 LYS 36 HB2 LYS 36 0.106 -13.922 -16.846 51 HB3 LYS 36 HB3 LYS 36 -0.997 -12.732 -17.575 52 HG2 LYS 36 HG2 LYS 36 0.908 -11.614 -18.651 53 HG3 LYS 36 HG3 LYS 36 2.021 -12.790 -17.911 54 HD2 LYS 36 HD2 LYS 36 0.874 -14.617 -19.117 55 HD3 LYS 36 HD3 LYS 36 -0.208 -13.424 -19.876 56 HE2 LYS 36 HE2 LYS 36 1.681 -12.354 -20.972 57 HE3 LYS 36 HE3 LYS 36 2.814 -13.449 -20.147 58 HZ1 LYS 36 HZ1 LYS 36 2.369 -14.160 -22.398 59 HZ2 LYS 36 HZ2 LYS 36 1.801 -15.281 -21.328 60 HZ3 LYS 36 HZ3 LYS 36 0.752 -14.264 -22.094 61 H LYS 37 H LYS 37 -0.031 -11.368 -13.526 62 HA LYS 37 HA LYS 37 -2.928 -11.643 -13.411 63 HB2 LYS 37 HB2 LYS 37 -2.943 -13.192 -11.606 64 HB3 LYS 37 HB3 LYS 37 -2.060 -13.888 -12.986 65 HG2 LYS 37 HG2 LYS 37 0.075 -13.388 -11.895 66 HG3 LYS 37 HG3 LYS 37 -0.784 -12.635 -10.531 67 HD2 LYS 37 HD2 LYS 37 -1.111 -15.532 -11.382 68 HD3 LYS 37 HD3 LYS 37 -0.017 -14.984 -10.089 69 HE2 LYS 37 HE2 LYS 37 -1.950 -14.007 -8.895 70 HE3 LYS 37 HE3 LYS 37 -3.028 -14.617 -10.171 71 HZ1 LYS 37 HZ1 LYS 37 -2.977 -16.085 -8.270 72 HZ2 LYS 37 HZ2 LYS 37 -2.345 -16.846 -9.592 73 HZ3 LYS 37 HZ3 LYS 37 -1.345 -16.279 -8.409 74 H VAL 38 H VAL 38 -1.583 -9.289 -13.238 75 HA VAL 38 HA VAL 38 -2.558 -8.539 -10.595 76 HB VAL 38 HB VAL 38 -0.627 -6.821 -10.450 77 HG11 VAL 38 HG11 VAL 38 0.801 -8.454 -9.261 78 HG12 VAL 38 HG12 VAL 38 -0.919 -8.718 -8.891 79 HG13 VAL 38 HG13 VAL 38 -0.081 -9.790 -10.037 80 HG21 VAL 38 HG21 VAL 38 1.480 -7.548 -11.454 81 HG22 VAL 38 HG22 VAL 38 0.621 -8.851 -12.308 82 HG23 VAL 38 HG23 VAL 38 0.256 -7.150 -12.682 83 H ARG 39 H ARG 39 -2.849 -6.128 -10.435 84 HA ARG 39 HA ARG 39 -3.697 -5.036 -13.017 85 HB2 ARG 39 HB2 ARG 39 -4.328 -4.027 -10.292 86 HB3 ARG 39 HB3 ARG 39 -4.927 -3.385 -11.838 87 HG2 ARG 39 HG2 ARG 39 -5.471 -6.160 -10.737 88 HG3 ARG 39 HG3 ARG 39 -6.608 -4.789 -10.707 89 HD2 ARG 39 HD2 ARG 39 -5.541 -6.230 -13.112 90 HD3 ARG 39 HD3 ARG 39 -7.192 -6.283 -12.453 91 HE ARG 39 HE ARG 39 -6.172 -4.110 -14.200 92 HH11 ARG 39 HH11 ARG 39 -8.621 -5.031 -11.895 93 HH12 ARG 39 HH12 ARG 39 -9.661 -3.746 -12.477 94 HH21 ARG 39 HH21 ARG 39 -7.354 -2.639 -14.883 95 HH22 ARG 39 HH22 ARG 39 -8.939 -2.381 -14.181 96 H GLU 40 H GLU 40 -3.210 -2.774 -13.522 97 HA GLU 40 HA GLU 40 -0.366 -2.600 -13.448 98 HB2 GLU 40 HB2 GLU 40 -0.563 -0.808 -14.993 99 HB3 GLU 40 HB3 GLU 40 -1.704 -2.099 -15.439 100 HG2 GLU 40 HG2 GLU 40 -3.577 -0.715 -14.371 101 HG3 GLU 40 HG3 GLU 40 -2.294 0.468 -14.029 102 H LEU 41 H LEU 41 0.598 -0.260 -13.230 103 HA LEU 41 HA LEU 41 -0.170 0.614 -10.529 104 HB2 LEU 41 HB2 LEU 41 2.311 0.312 -11.987 105 HB3 LEU 41 HB3 LEU 41 2.371 1.528 -10.690 106 HG LEU 41 HG LEU 41 1.528 -0.326 -9.134 107 HD11 LEU 41 HD11 LEU 41 2.070 -2.659 -9.877 108 HD12 LEU 41 HD12 LEU 41 0.836 -1.917 -10.924 109 HD13 LEU 41 HD13 LEU 41 2.525 -2.028 -11.476 110 HD21 LEU 41 HD21 LEU 41 3.801 -1.230 -8.788 111 HD22 LEU 41 HD22 LEU 41 4.287 -0.564 -10.366 112 HD23 LEU 41 HD23 LEU 41 3.796 0.530 -9.052 113 H THR 42 H THR 42 -1.741 2.080 -11.433 114 HA THR 42 HA THR 42 -0.815 4.285 -13.054 115 HB THR 42 HB THR 42 -3.092 5.149 -12.911 116 HG1 THR 42 HG1 THR 42 -4.622 3.914 -11.639 117 HG21 THR 42 HG21 THR 42 -4.295 3.230 -13.894 118 HG22 THR 42 HG22 THR 42 -2.636 3.336 -14.528 119 HG23 THR 42 HG23 THR 42 -3.038 2.128 -13.286 120 HA PRO 43 HA PRO 43 0.273 7.180 -9.875 121 HB2 PRO 43 HB2 PRO 43 -0.662 9.502 -11.007 122 HB3 PRO 43 HB3 PRO 43 0.854 8.720 -11.472 123 HG2 PRO 43 HG2 PRO 43 -1.873 8.524 -12.789 124 HG3 PRO 43 HG3 PRO 43 -0.289 8.744 -13.543 125 HD2 PRO 43 HD2 PRO 43 -1.439 6.291 -13.505 126 HD3 PRO 43 HD3 PRO 43 0.308 6.445 -13.273 127 H GLN 44 H GLN 44 -3.018 7.026 -11.108 128 HA GLN 44 HA GLN 44 -4.230 8.439 -8.959 129 HB2 GLN 44 HB2 GLN 44 -5.317 8.110 -11.120 130 HB3 GLN 44 HB3 GLN 44 -5.383 6.359 -10.810 131 HG2 GLN 44 HG2 GLN 44 -7.044 6.965 -8.755 132 HG3 GLN 44 HG3 GLN 44 -6.599 8.564 -9.394 133 HE21 GLN 44 HE21 GLN 44 -9.246 7.838 -9.120 134 HE22 GLN 44 HE22 GLN 44 -9.956 7.619 -10.684 135 H GLU 45 H GLU 45 -3.620 5.008 -9.597 136 HA GLU 45 HA GLU 45 -4.862 4.078 -7.212 137 HB2 GLU 45 HB2 GLU 45 -2.934 2.862 -9.157 138 HB3 GLU 45 HB3 GLU 45 -3.447 2.007 -7.683 139 HG2 GLU 45 HG2 GLU 45 -5.825 2.043 -8.484 140 HG3 GLU 45 HG3 GLU 45 -5.250 3.078 -9.810 141 H LEU 46 H LEU 46 -1.676 5.236 -8.016 142 HA LEU 46 HA LEU 46 -0.421 4.254 -5.629 143 HB2 LEU 46 HB2 LEU 46 0.274 6.209 -7.693 144 HB3 LEU 46 HB3 LEU 46 1.456 5.900 -6.400 145 HG LEU 46 HG LEU 46 0.416 3.874 -8.418 146 HD11 LEU 46 HD11 LEU 46 2.778 3.888 -9.260 147 HD12 LEU 46 HD12 LEU 46 2.038 5.501 -9.386 148 HD13 LEU 46 HD13 LEU 46 3.180 5.146 -8.067 149 HD21 LEU 46 HD21 LEU 46 2.081 2.338 -7.432 150 HD22 LEU 46 HD22 LEU 46 2.461 3.568 -6.202 151 HD23 LEU 46 HD23 LEU 46 0.837 2.843 -6.264 152 H GLU 47 H GLU 47 -1.950 7.244 -6.650 153 HA GLU 47 HA GLU 47 -1.085 8.811 -4.441 154 HB2 GLU 47 HB2 GLU 47 -3.216 9.087 -6.516 155 HB3 GLU 47 HB3 GLU 47 -3.163 10.201 -5.128 156 HG2 GLU 47 HG2 GLU 47 -0.913 11.008 -5.824 157 HG3 GLU 47 HG3 GLU 47 -0.893 9.669 -6.992 158 H LEU 48 H LEU 48 -4.058 7.006 -5.134 159 HA LEU 48 HA LEU 48 -5.464 7.812 -2.832 160 HB2 LEU 48 HB2 LEU 48 -7.079 6.267 -3.430 161 HB3 LEU 48 HB3 LEU 48 -6.316 6.663 -4.969 162 HG LEU 48 HG LEU 48 -4.898 4.536 -4.534 163 HD11 LEU 48 HD11 LEU 48 -7.115 3.270 -3.193 164 HD12 LEU 48 HD12 LEU 48 -6.404 4.536 -2.195 165 HD13 LEU 48 HD13 LEU 48 -5.394 3.228 -2.812 166 HD21 LEU 48 HD21 LEU 48 -7.700 3.772 -5.069 167 HD22 LEU 48 HD22 LEU 48 -6.239 3.470 -6.011 168 HD23 LEU 48 HD23 LEU 48 -7.027 5.047 -6.083 169 H PHE 49 H PHE 49 -3.049 5.376 -3.367 170 HA PHE 49 HA PHE 49 -3.470 3.855 -1.021 171 HB2 PHE 49 HB2 PHE 49 -2.099 2.976 -2.844 172 HB3 PHE 49 HB3 PHE 49 -0.923 4.289 -2.616 173 HD1 PHE 49 HD1 PHE 49 -2.306 1.195 -1.190 174 HD2 PHE 49 HD2 PHE 49 0.701 4.216 -0.900 175 HE1 PHE 49 HE1 PHE 49 -1.047 -0.215 0.403 176 HE2 PHE 49 HE2 PHE 49 1.964 2.808 0.692 177 HZ PHE 49 HZ PHE 49 1.089 0.593 1.345 178 H LYS 50 H LYS 50 -1.027 6.362 -1.707 179 HA LYS 50 HA LYS 50 -0.127 6.556 0.964 180 HB2 LYS 50 HB2 LYS 50 1.098 8.468 0.291 181 HB3 LYS 50 HB3 LYS 50 1.169 7.252 -1.006 182 HG2 LYS 50 HG2 LYS 50 -0.494 8.484 -2.297 183 HG3 LYS 50 HG3 LYS 50 -0.672 9.668 -0.979 184 HD2 LYS 50 HD2 LYS 50 1.731 10.265 -1.243 185 HD3 LYS 50 HD3 LYS 50 1.827 9.151 -2.628 186 HE2 LYS 50 HE2 LYS 50 0.097 10.454 -3.794 187 HE3 LYS 50 HE3 LYS 50 0.009 11.570 -2.412 188 HZ1 LYS 50 HZ1 LYS 50 1.399 12.436 -4.169 189 HZ2 LYS 50 HZ2 LYS 50 2.304 12.152 -2.820 190 HZ3 LYS 50 HZ3 LYS 50 2.385 11.116 -4.101 191 H ARG 51 H ARG 51 -2.733 8.079 -0.782 192 HA ARG 51 HA ARG 51 -3.353 10.109 1.073 193 HB2 ARG 51 HB2 ARG 51 -4.225 10.073 -1.158 194 HB3 ARG 51 HB3 ARG 51 -5.234 8.672 -0.729 195 HG2 ARG 51 HG2 ARG 51 -6.425 10.024 0.933 196 HG3 ARG 51 HG3 ARG 51 -5.404 11.427 0.532 197 HD2 ARG 51 HD2 ARG 51 -7.279 10.039 -1.357 198 HD3 ARG 51 HD3 ARG 51 -7.632 11.527 -0.447 199 HE ARG 51 HE ARG 51 -5.977 11.441 -2.909 200 HH11 ARG 51 HH11 ARG 51 -6.776 13.274 -0.053 201 HH12 ARG 51 HH12 ARG 51 -6.163 14.732 -0.809 202 HH21 ARG 51 HH21 ARG 51 -5.279 13.102 -3.793 203 HH22 ARG 51 HH22 ARG 51 -5.309 14.635 -2.943 204 H ALA 52 H ALA 52 -4.542 6.770 0.762 205 HA ALA 52 HA ALA 52 -6.205 6.816 3.039 206 HB1 ALA 52 HB1 ALA 52 -4.896 4.273 2.245 207 HB2 ALA 52 HB2 ALA 52 -6.586 4.610 2.626 208 HB3 ALA 52 HB3 ALA 52 -5.924 5.076 1.059 209 H MET 53 H MET 53 -2.823 5.846 2.591 210 HA MET 53 HA MET 53 -2.433 5.015 5.282 211 HB2 MET 53 HB2 MET 53 -0.505 5.824 3.123 212 HB3 MET 53 HB3 MET 53 -0.011 5.193 4.713 213 HG2 MET 53 HG2 MET 53 -1.700 3.722 2.665 214 HG3 MET 53 HG3 MET 53 0.035 3.456 2.957 215 HE1 MET 53 HE1 MET 53 -1.888 0.255 4.411 216 HE2 MET 53 HE2 MET 53 -2.452 1.268 3.059 217 HE3 MET 53 HE3 MET 53 -0.733 0.819 3.180 218 H GLY 54 H GLY 54 -2.473 8.081 3.715 219 HA2 GLY 54 HA2 GLY 54 -2.457 10.187 4.664 220 HA3 GLY 54 HA3 GLY 54 -2.227 9.431 6.235 221 H ILE 55 H ILE 55 -0.135 8.980 3.436 222 HA ILE 55 HA ILE 55 2.153 9.269 5.100 223 HB ILE 55 HB ILE 55 1.934 9.010 2.086 224 HG12 ILE 55 HG12 ILE 55 2.684 6.986 4.177 225 HG13 ILE 55 HG13 ILE 55 1.069 7.152 3.448 226 HG21 ILE 55 HG21 ILE 55 4.336 8.430 2.165 227 HG22 ILE 55 HG22 ILE 55 4.059 10.090 2.742 228 HG23 ILE 55 HG23 ILE 55 4.364 8.782 3.909 229 HD11 ILE 55 HD11 ILE 55 2.350 5.342 2.373 230 HD12 ILE 55 HD12 ILE 55 2.022 6.664 1.228 231 HD13 ILE 55 HD13 ILE 55 3.636 6.498 1.957 232 H THR 56 H THR 56 3.341 11.006 5.541 233 HA THR 56 HA THR 56 2.747 13.496 4.102 234 HB THR 56 HB THR 56 3.631 14.705 6.005 235 HG1 THR 56 HG1 THR 56 4.297 12.101 6.978 236 HG21 THR 56 HG21 THR 56 2.049 13.972 7.755 237 HG22 THR 56 HG22 THR 56 1.284 13.943 6.146 238 HG23 THR 56 HG23 THR 56 1.824 12.425 6.903 239 HA PRO 57 HA PRO 57 6.720 13.873 2.233 240 HB2 PRO 57 HB2 PRO 57 7.333 16.510 2.713 241 HB3 PRO 57 HB3 PRO 57 6.205 15.967 1.462 242 HG2 PRO 57 HG2 PRO 57 5.607 16.938 4.279 243 HG3 PRO 57 HG3 PRO 57 4.820 17.389 2.761 244 HD2 PRO 57 HD2 PRO 57 3.650 15.571 4.382 245 HD3 PRO 57 HD3 PRO 57 3.595 15.335 2.631 246 H HIS 58 H HIS 58 6.261 14.425 5.594 247 HA HIS 58 HA HIS 58 9.046 14.741 6.247 248 HB2 HIS 58 HB2 HIS 58 6.628 14.178 8.000 249 HB3 HIS 58 HB3 HIS 58 8.273 14.470 8.615 250 HD1 HIS 58 HD1 HIS 58 9.301 16.894 7.654 251 HD2 HIS 58 HD2 HIS 58 5.109 16.533 7.895 252 HE1 HIS 58 HE1 HIS 58 8.433 19.176 7.762 253 H ASN 59 H ASN 59 6.711 12.107 6.170 254 HA ASN 59 HA ASN 59 8.912 10.232 6.741 255 HB2 ASN 59 HB2 ASN 59 7.305 8.731 7.966 256 HB3 ASN 59 HB3 ASN 59 7.326 10.475 8.322 257 HD21 ASN 59 HD21 ASN 59 5.251 8.786 9.061 258 HD22 ASN 59 HD22 ASN 59 3.826 9.232 8.182 259 H TYR 60 H TYR 60 7.726 11.429 4.192 260 HA TYR 60 HA TYR 60 6.482 9.337 2.752 261 HB2 TYR 60 HB2 TYR 60 6.358 11.654 2.052 262 HB3 TYR 60 HB3 TYR 60 8.116 11.670 1.767 263 HD1 TYR 60 HD1 TYR 60 4.915 10.154 0.608 264 HD2 TYR 60 HD2 TYR 60 9.012 10.920 -0.298 265 HE1 TYR 60 HE1 TYR 60 4.539 9.378 -1.714 266 HE2 TYR 60 HE2 TYR 60 8.653 10.148 -2.618 267 HH TYR 60 HH TYR 60 7.160 9.330 -4.132 268 H TRP 61 H TRP 61 9.865 10.391 2.980 269 HA TRP 61 HA TRP 61 10.899 8.541 1.123 270 HB2 TRP 61 HB2 TRP 61 13.097 9.114 2.007 271 HB3 TRP 61 HB3 TRP 61 12.107 10.591 1.929 272 HD1 TRP 61 HD1 TRP 61 11.368 11.629 4.100 273 HE1 TRP 61 HE1 TRP 61 12.293 11.483 6.637 274 HE3 TRP 61 HE3 TRP 61 14.146 7.400 3.623 275 HZ2 TRP 61 HZ2 TRP 61 13.939 9.757 8.033 276 HZ3 TRP 61 HZ3 TRP 61 15.367 6.528 5.520 277 HH2 TRP 61 HH2 TRP 61 15.303 7.638 7.712 278 H GLN 62 H GLN 62 10.147 8.296 4.528 279 HA GLN 62 HA GLN 62 11.463 5.852 5.049 280 HB2 GLN 62 HB2 GLN 62 9.043 7.147 6.277 281 HB3 GLN 62 HB3 GLN 62 9.737 5.620 6.870 282 HG2 GLN 62 HG2 GLN 62 11.994 7.052 7.358 283 HG3 GLN 62 HG3 GLN 62 10.900 8.253 6.633 284 HE21 GLN 62 HE21 GLN 62 12.141 8.569 9.142 285 HE22 GLN 62 HE22 GLN 62 10.915 8.560 10.367 286 H TRP 63 H TRP 63 8.116 6.568 4.083 287 HA TRP 63 HA TRP 63 7.316 3.868 3.819 288 HB2 TRP 63 HB2 TRP 63 6.232 6.513 3.045 289 HB3 TRP 63 HB3 TRP 63 5.659 5.139 2.101 290 HD1 TRP 63 HD1 TRP 63 5.485 6.655 5.598 291 HE1 TRP 63 HE1 TRP 63 3.630 5.465 6.926 292 HE3 TRP 63 HE3 TRP 63 4.409 2.895 2.303 293 HZ2 TRP 63 HZ2 TRP 63 1.936 3.228 6.619 294 HZ3 TRP 63 HZ3 TRP 63 2.659 1.273 2.895 295 HH2 TRP 63 HH2 TRP 63 1.448 1.436 5.010 296 H ALA 64 H ALA 64 8.776 6.176 1.593 297 HA ALA 64 HA ALA 64 8.333 4.678 -0.769 298 HB1 ALA 64 HB1 ALA 64 10.312 6.161 -1.588 299 HB2 ALA 64 HB2 ALA 64 8.760 6.903 -1.193 300 HB3 ALA 64 HB3 ALA 64 10.093 6.978 -0.041 301 H SER 65 H SER 65 10.812 4.607 1.683 302 HA SER 65 HA SER 65 12.713 3.173 0.069 303 HB2 SER 65 HB2 SER 65 14.082 3.099 2.050 304 HB3 SER 65 HB3 SER 65 13.410 4.732 1.836 305 HG SER 65 HG SER 65 13.259 3.985 3.996 306 H ARG 66 H ARG 66 10.137 2.376 2.244 307 HA ARG 66 HA ARG 66 11.066 -0.352 2.628 308 HB2 ARG 66 HB2 ARG 66 9.352 -0.699 4.133 309 HB3 ARG 66 HB3 ARG 66 10.136 0.859 4.487 310 HG2 ARG 66 HG2 ARG 66 8.285 2.098 3.773 311 HG3 ARG 66 HG3 ARG 66 7.613 0.734 2.844 312 HD2 ARG 66 HD2 ARG 66 6.306 1.233 4.808 313 HD3 ARG 66 HD3 ARG 66 7.030 -0.390 4.887 314 HE ARG 66 HE ARG 66 8.392 0.432 6.811 315 HH11 ARG 66 HH11 ARG 66 6.466 2.991 5.432 316 HH12 ARG 66 HH12 ARG 66 6.726 3.966 6.865 317 HH21 ARG 66 HH21 ARG 66 8.704 1.539 8.454 318 HH22 ARG 66 HH22 ARG 66 8.002 3.140 8.590 319 H THR 67 H THR 67 8.725 1.424 0.751 320 HA THR 67 HA THR 67 7.384 -1.002 -0.138 321 HB THR 67 HB THR 67 5.913 0.505 -1.432 322 HG1 THR 67 HG1 THR 67 7.552 2.557 -0.297 323 HG21 THR 67 HG21 THR 67 4.870 1.644 0.494 324 HG22 THR 67 HG22 THR 67 5.367 -0.011 0.922 325 HG23 THR 67 HG23 THR 67 6.346 1.377 1.453 326 H ASN 68 H ASN 68 10.190 0.454 -0.918 327 HA ASN 68 HA ASN 68 11.560 0.518 -2.734 328 HB2 ASN 68 HB2 ASN 68 10.764 -2.117 -2.818 329 HB3 ASN 68 HB3 ASN 68 9.790 -1.252 -4.032 330 HD21 ASN 68 HD21 ASN 68 10.883 -2.947 -5.357 331 HD22 ASN 68 HD22 ASN 68 12.400 -2.527 -6.080 332 H ASN 69 H ASN 69 10.151 2.643 -2.870 333 HA ASN 69 HA ASN 69 9.283 4.259 -4.214 334 HB2 ASN 69 HB2 ASN 69 11.048 3.074 -6.021 335 HB3 ASN 69 HB3 ASN 69 9.396 2.556 -6.435 336 HD21 ASN 69 HD21 ASN 69 9.962 3.620 -8.466 337 HD22 ASN 69 HD22 ASN 69 9.671 5.321 -8.615 338 H PHE 70 H PHE 70 7.573 2.234 -3.059 339 HA PHE 70 HA PHE 70 5.404 1.536 -3.113 340 HB2 PHE 70 HB2 PHE 70 5.145 4.002 -4.869 341 HB3 PHE 70 HB3 PHE 70 3.787 3.141 -4.108 342 HD1 PHE 70 HD1 PHE 70 3.591 3.100 -1.642 343 HD2 PHE 70 HD2 PHE 70 6.433 5.549 -3.683 344 HE1 PHE 70 HE1 PHE 70 3.835 4.499 0.382 345 HE2 PHE 70 HE2 PHE 70 6.683 6.949 -1.661 346 HZ PHE 70 HZ PHE 70 5.383 6.423 0.372 347 H LYS 71 H LYS 71 7.049 0.178 -4.927 348 HA LYS 71 HA LYS 71 5.649 -0.251 -7.374 349 HB2 LYS 71 HB2 LYS 71 8.045 -0.867 -6.814 350 HB3 LYS 71 HB3 LYS 71 7.358 -2.265 -5.953 351 HG2 LYS 71 HG2 LYS 71 8.057 -2.963 -8.167 352 HG3 LYS 71 HG3 LYS 71 6.281 -2.997 -8.069 353 HD2 LYS 71 HD2 LYS 71 6.475 -0.549 -9.009 354 HD3 LYS 71 HD3 LYS 71 8.082 -1.093 -9.546 355 HE2 LYS 71 HE2 LYS 71 5.486 -2.529 -10.173 356 HE3 LYS 71 HE3 LYS 71 6.272 -1.361 -11.261 357 HZ1 LYS 71 HZ1 LYS 71 6.854 -3.624 -11.817 358 HZ2 LYS 71 HZ2 LYS 71 8.194 -2.802 -11.316 359 HZ3 LYS 71 HZ3 LYS 71 7.464 -3.885 -10.307 360 H LEU 72 H LEU 72 3.474 -0.250 -6.325 361 HA LEU 72 HA LEU 72 2.853 -2.667 -4.798 362 HB2 LEU 72 HB2 LEU 72 1.353 -0.214 -5.380 363 HB3 LEU 72 HB3 LEU 72 0.655 -1.455 -4.313 364 HG LEU 72 HG LEU 72 3.223 0.080 -3.760 365 HD11 LEU 72 HD11 LEU 72 1.877 1.276 -2.012 366 HD12 LEU 72 HD12 LEU 72 1.223 1.564 -3.641 367 HD13 LEU 72 HD13 LEU 72 0.425 0.403 -2.554 368 HD21 LEU 72 HD21 LEU 72 3.017 -0.882 -1.494 369 HD22 LEU 72 HD22 LEU 72 1.590 -1.800 -2.031 370 HD23 LEU 72 HD23 LEU 72 3.183 -2.126 -2.755 371 H LEU 73 H LEU 73 1.533 -4.249 -5.526 372 HA LEU 73 HA LEU 73 0.001 -3.766 -7.986 373 HB2 LEU 73 HB2 LEU 73 1.268 -6.425 -7.472 374 HB3 LEU 73 HB3 LEU 73 0.672 -5.751 -8.987 375 HG LEU 73 HG LEU 73 2.657 -4.062 -8.646 376 HD11 LEU 73 HD11 LEU 73 3.041 -5.463 -6.379 377 HD12 LEU 73 HD12 LEU 73 4.327 -4.627 -7.247 378 HD13 LEU 73 HD13 LEU 73 4.087 -6.358 -7.481 379 HD21 LEU 73 HD21 LEU 73 2.246 -5.911 -10.403 380 HD22 LEU 73 HD22 LEU 73 3.411 -6.844 -9.462 381 HD23 LEU 73 HD23 LEU 73 3.886 -5.301 -10.175 382 H THR 74 H THR 74 -1.846 -5.168 -8.259 383 HA THR 74 HA THR 74 -2.732 -6.800 -6.063 384 HB THR 74 HB THR 74 -3.186 -4.481 -5.219 385 HG1 THR 74 HG1 THR 74 -4.464 -6.255 -4.530 386 HG21 THR 74 HG21 THR 74 -5.070 -3.248 -6.237 387 HG22 THR 74 HG22 THR 74 -3.728 -3.437 -7.393 388 HG23 THR 74 HG23 THR 74 -5.171 -4.469 -7.527 389 H ASP 75 H ASP 75 -4.596 -8.009 -6.554 390 HA ASP 75 HA ASP 75 -6.051 -7.378 -8.998 391 HB2 ASP 75 HB2 ASP 75 -4.206 -9.055 -9.657 392 HB3 ASP 75 HB3 ASP 75 -4.981 -10.052 -8.401 393 H GLY 76 H GLY 76 -7.728 -6.820 -7.539 394 HA2 GLY 76 HA2 GLY 76 -9.704 -7.249 -6.452 395 HA3 GLY 76 HA3 GLY 76 -9.575 -8.893 -7.062 396 H GLU 77 H GLU 77 -7.020 -7.616 -5.104 397 HA GLU 77 HA GLU 77 -8.003 -9.046 -2.749 398 HB2 GLU 77 HB2 GLU 77 -5.386 -9.629 -4.119 399 HB3 GLU 77 HB3 GLU 77 -5.847 -10.221 -2.505 400 HG2 GLU 77 HG2 GLU 77 -7.763 -11.510 -3.572 401 HG3 GLU 77 HG3 GLU 77 -7.215 -10.788 -5.102 402 H TRP 78 H TRP 78 -5.194 -8.996 -1.696 403 HA TRP 78 HA TRP 78 -5.137 -6.397 -0.564 404 HB2 TRP 78 HB2 TRP 78 -2.976 -8.537 -0.661 405 HB3 TRP 78 HB3 TRP 78 -2.924 -7.076 0.353 406 HD1 TRP 78 HD1 TRP 78 -5.945 -9.220 -0.152 407 HE1 TRP 78 HE1 TRP 78 -6.673 -10.289 2.221 408 HE3 TRP 78 HE3 TRP 78 -2.009 -7.592 2.622 409 HZ2 TRP 78 HZ2 TRP 78 -5.605 -10.330 4.770 410 HZ3 TRP 78 HZ3 TRP 78 -1.873 -8.136 4.973 411 HH2 TRP 78 HH2 TRP 78 -3.606 -9.479 6.085 412 H VAL 79 H VAL 79 -3.882 -4.595 -1.072 413 HA VAL 79 HA VAL 79 -2.188 -4.666 -3.430 414 HB VAL 79 HB VAL 79 -2.624 -2.469 -1.385 415 HG11 VAL 79 HG11 VAL 79 -1.492 -1.018 -3.037 416 HG12 VAL 79 HG12 VAL 79 -0.408 -2.309 -2.468 417 HG13 VAL 79 HG13 VAL 79 -1.180 -2.434 -4.067 418 HG21 VAL 79 HG21 VAL 79 -3.928 -1.394 -3.150 419 HG22 VAL 79 HG22 VAL 79 -3.702 -2.825 -4.184 420 HG23 VAL 79 HG23 VAL 79 -4.621 -2.960 -2.666 421 H TRP 80 H TRP 80 -0.099 -5.177 -3.425 422 HA TRP 80 HA TRP 80 1.347 -5.201 -0.867 423 HB2 TRP 80 HB2 TRP 80 2.219 -7.421 -1.265 424 HB3 TRP 80 HB3 TRP 80 0.451 -7.503 -1.451 425 HD1 TRP 80 HD1 TRP 80 3.631 -7.629 -3.357 426 HE1 TRP 80 HE1 TRP 80 3.184 -8.754 -5.775 427 HE3 TRP 80 HE3 TRP 80 -1.443 -7.851 -3.137 428 HZ2 TRP 80 HZ2 TRP 80 0.949 -9.544 -7.193 429 HZ3 TRP 80 HZ3 TRP 80 -2.699 -8.770 -4.987 430 HH2 TRP 80 HH2 TRP 80 -1.584 -9.621 -7.004 431 H VAL 81 H VAL 81 3.666 -5.155 -1.061 432 HA VAL 81 HA VAL 81 4.639 -3.796 -3.419 433 HB VAL 81 HB VAL 81 6.095 -4.709 -0.920 434 HG11 VAL 81 HG11 VAL 81 7.924 -3.247 -1.710 435 HG12 VAL 81 HG12 VAL 81 7.616 -4.567 -2.863 436 HG13 VAL 81 HG13 VAL 81 7.019 -2.925 -3.208 437 HG21 VAL 81 HG21 VAL 81 6.091 -2.337 -0.333 438 HG22 VAL 81 HG22 VAL 81 5.120 -1.983 -1.782 439 HG23 VAL 81 HG23 VAL 81 4.444 -2.992 -0.481 440 H GLU 82 H GLU 82 5.627 -4.701 -5.108 441 HA GLU 82 HA GLU 82 5.503 -7.325 -5.760 442 HB2 GLU 82 HB2 GLU 82 6.104 -5.562 -7.318 443 HB3 GLU 82 HB3 GLU 82 7.700 -5.421 -6.544 444 HG2 GLU 82 HG2 GLU 82 8.193 -7.822 -7.294 445 HG3 GLU 82 HG3 GLU 82 6.573 -7.762 -8.022 446 H GLY 83 H GLY 83 6.416 -9.162 -5.111 447 HA2 GLY 83 HA2 GLY 83 8.399 -10.454 -4.660 448 HA3 GLY 83 HA3 GLY 83 9.087 -9.042 -3.870 449 H TYR 84 H TYR 84 6.173 -8.805 -2.711 450 HA TYR 84 HA TYR 84 6.723 -10.607 -0.444 451 HB2 TYR 84 HB2 TYR 84 5.474 -7.862 -0.448 452 HB3 TYR 84 HB3 TYR 84 5.586 -8.931 0.973 453 HD1 TYR 84 HD1 TYR 84 7.916 -9.610 1.771 454 HD2 TYR 84 HD2 TYR 84 7.276 -6.444 -1.012 455 HE1 TYR 84 HE1 TYR 84 10.168 -8.727 2.276 456 HE2 TYR 84 HE2 TYR 84 9.531 -5.544 -0.519 457 HH TYR 84 HH TYR 84 11.708 -7.106 1.836 458 H GLU 85 H GLU 85 5.131 -11.288 -2.744 459 HA GLU 85 HA GLU 85 2.386 -11.255 -2.175 460 HB2 GLU 85 HB2 GLU 85 4.034 -13.374 -3.540 461 HB3 GLU 85 HB3 GLU 85 2.256 -13.295 -3.547 462 HG2 GLU 85 HG2 GLU 85 2.930 -12.305 -5.674 463 HG3 GLU 85 HG3 GLU 85 2.489 -11.025 -4.523 464 H GLU 86 H GLU 86 4.989 -12.902 -0.661 465 HA GLU 86 HA GLU 86 3.480 -15.045 0.472 466 HB2 GLU 86 HB2 GLU 86 5.427 -15.284 1.999 467 HB3 GLU 86 HB3 GLU 86 5.795 -15.372 0.260 468 HG2 GLU 86 HG2 GLU 86 6.123 -12.662 1.563 469 HG3 GLU 86 HG3 GLU 86 7.201 -14.002 2.015 470 H HIS 87 H HIS 87 3.325 -11.802 0.991 471 HA HIS 87 HA HIS 87 2.690 -12.082 3.849 472 HB2 HIS 87 HB2 HIS 87 3.438 -9.624 2.231 473 HB3 HIS 87 HB3 HIS 87 2.873 -9.565 3.916 474 HD1 HIS 87 HD1 HIS 87 5.437 -8.360 3.766 475 HD2 HIS 87 HD2 HIS 87 5.184 -12.562 3.964 476 HE1 HIS 87 HE1 HIS 87 7.642 -9.135 4.479 477 H ILE 88 H ILE 88 1.083 -12.492 1.193 478 HA ILE 88 HA ILE 88 -1.137 -10.669 1.648 479 HB ILE 88 HB ILE 88 -0.769 -12.871 -0.406 480 HG12 ILE 88 HG12 ILE 88 -0.754 -9.883 -0.733 481 HG13 ILE 88 HG13 ILE 88 0.701 -10.894 -0.574 482 HG21 ILE 88 HG21 ILE 88 -2.778 -11.913 -1.480 483 HG22 ILE 88 HG22 ILE 88 -3.154 -12.529 0.145 484 HG23 ILE 88 HG23 ILE 88 -2.967 -10.780 -0.121 485 HD11 ILE 88 HD11 ILE 88 0.237 -10.370 -2.937 486 HD12 ILE 88 HD12 ILE 88 0.079 -12.115 -2.623 487 HD13 ILE 88 HD13 ILE 88 -1.376 -11.104 -2.783 488 H GLY 89 H GLY 89 -2.691 -11.119 3.056 489 HA2 GLY 89 HA2 GLY 89 -4.533 -12.426 3.766 490 HA3 GLY 89 HA3 GLY 89 -3.688 -13.867 3.224 491 H LYS 90 H LYS 90 -1.263 -12.549 4.689 492 HA LYS 90 HA LYS 90 -1.752 -13.953 7.180 493 HB2 LYS 90 HB2 LYS 90 0.698 -12.684 5.965 494 HB3 LYS 90 HB3 LYS 90 0.688 -13.340 7.597 495 HG2 LYS 90 HG2 LYS 90 1.503 -15.120 6.423 496 HG3 LYS 90 HG3 LYS 90 -0.223 -15.484 6.406 497 HD2 LYS 90 HD2 LYS 90 -0.412 -14.485 4.181 498 HD3 LYS 90 HD3 LYS 90 1.312 -14.108 4.201 499 HE2 LYS 90 HE2 LYS 90 0.845 -16.137 2.912 500 HE3 LYS 90 HE3 LYS 90 1.848 -16.478 4.322 501 HZ1 LYS 90 HZ1 LYS 90 -1.072 -16.963 4.081 502 HZ2 LYS 90 HZ2 LYS 90 -0.168 -17.211 5.488 503 HZ3 LYS 90 HZ3 LYS 90 0.143 -18.140 4.108 504 H GLN 91 H GLN 91 -0.758 -12.867 9.203 505 HA GLN 91 HA GLN 91 -1.725 -10.085 9.312 506 HB2 GLN 91 HB2 GLN 91 -3.177 -11.569 10.536 507 HB3 GLN 91 HB3 GLN 91 -1.785 -12.225 11.431 508 HG2 GLN 91 HG2 GLN 91 -2.785 -10.481 13.045 509 HG3 GLN 91 HG3 GLN 91 -1.331 -10.029 12.124 510 HE21 GLN 91 HE21 GLN 91 -1.639 -7.829 12.194 511 HE22 GLN 91 HE22 GLN 91 -2.949 -7.024 11.398 512 H LEU 92 H LEU 92 0.048 -8.842 9.257 513 HA LEU 92 HA LEU 92 2.242 -9.502 11.109 514 HB2 LEU 92 HB2 LEU 92 2.168 -7.997 8.593 515 HB3 LEU 92 HB3 LEU 92 3.670 -8.028 9.546 516 HG LEU 92 HG LEU 92 2.301 -10.401 8.223 517 HD11 LEU 92 HD11 LEU 92 4.392 -10.486 6.841 518 HD12 LEU 92 HD12 LEU 92 3.550 -8.932 6.644 519 HD13 LEU 92 HD13 LEU 92 4.990 -9.039 7.685 520 HD21 LEU 92 HD21 LEU 92 4.238 -11.718 9.005 521 HD22 LEU 92 HD22 LEU 92 4.827 -10.292 9.894 522 HD23 LEU 92 HD23 LEU 92 3.280 -11.047 10.345 523 HA PRO 93 HA PRO 93 0.508 -5.730 13.034 524 HB2 PRO 93 HB2 PRO 93 1.444 -6.323 15.521 525 HB3 PRO 93 HB3 PRO 93 -0.083 -6.958 14.893 526 HG2 PRO 93 HG2 PRO 93 2.647 -8.291 14.971 527 HG3 PRO 93 HG3 PRO 93 1.074 -8.959 15.424 528 HD2 PRO 93 HD2 PRO 93 2.171 -9.512 12.991 529 HD3 PRO 93 HD3 PRO 93 0.422 -9.313 13.161 530 H LEU 94 H LEU 94 3.674 -7.118 12.730 531 HA LEU 94 HA LEU 94 5.103 -4.860 13.774 532 HB2 LEU 94 HB2 LEU 94 5.859 -7.105 12.043 533 HB3 LEU 94 HB3 LEU 94 7.117 -6.029 12.697 534 HG LEU 94 HG LEU 94 5.279 -7.869 14.280 535 HD11 LEU 94 HD11 LEU 94 7.423 -9.017 14.896 536 HD12 LEU 94 HD12 LEU 94 7.166 -9.031 13.136 537 HD13 LEU 94 HD13 LEU 94 8.314 -7.879 13.858 538 HD21 LEU 94 HD21 LEU 94 6.545 -7.125 16.266 539 HD22 LEU 94 HD22 LEU 94 7.414 -5.947 15.251 540 HD23 LEU 94 HD23 LEU 94 5.655 -5.797 15.483 541 H ASN 95 H ASN 95 6.750 -3.731 12.338 542 HA ASN 95 HA ASN 95 5.368 -2.430 10.205 543 HB2 ASN 95 HB2 ASN 95 8.308 -1.975 11.076 544 HB3 ASN 95 HB3 ASN 95 7.283 -1.378 9.750 545 HD21 ASN 95 HD21 ASN 95 8.550 0.014 12.010 546 HD22 ASN 95 HD22 ASN 95 7.267 0.833 12.834 547 H GLN 96 H GLN 96 6.904 -5.345 10.331 548 HA GLN 96 HA GLN 96 8.427 -5.328 7.940 549 HB2 GLN 96 HB2 GLN 96 7.147 -7.606 9.437 550 HB3 GLN 96 HB3 GLN 96 8.297 -7.791 8.093 551 HG2 GLN 96 HG2 GLN 96 9.079 -6.647 10.914 552 HG3 GLN 96 HG3 GLN 96 9.286 -8.169 10.017 553 HE21 GLN 96 HE21 GLN 96 10.712 -5.270 10.839 554 HE22 GLN 96 HE22 GLN 96 11.904 -5.176 9.586 555 H ALA 97 H ALA 97 5.084 -5.360 8.523 556 HA ALA 97 HA ALA 97 4.048 -6.927 6.489 557 HB1 ALA 97 HB1 ALA 97 3.028 -5.149 8.344 558 HB2 ALA 97 HB2 ALA 97 2.576 -4.448 6.791 559 HB3 ALA 97 HB3 ALA 97 2.100 -6.100 7.183 560 H ARG 98 H ARG 98 3.944 -6.781 4.330 561 HA ARG 98 HA ARG 98 4.435 -4.166 3.076 562 HB2 ARG 98 HB2 ARG 98 5.611 -6.736 2.153 563 HB3 ARG 98 HB3 ARG 98 5.613 -5.203 1.249 564 HG2 ARG 98 HG2 ARG 98 6.834 -5.513 4.002 565 HG3 ARG 98 HG3 ARG 98 7.750 -5.763 2.495 566 HD2 ARG 98 HD2 ARG 98 7.202 -3.462 1.843 567 HD3 ARG 98 HD3 ARG 98 6.425 -3.238 3.429 568 HE ARG 98 HE ARG 98 9.374 -3.248 3.004 569 HH11 ARG 98 HH11 ARG 98 6.777 -3.449 5.322 570 HH12 ARG 98 HH12 ARG 98 7.888 -3.027 6.611 571 HH21 ARG 98 HH21 ARG 98 10.657 -2.756 4.466 572 HH22 ARG 98 HH22 ARG 98 10.100 -2.631 6.124 573 H ALA 99 H ALA 99 1.939 -5.447 3.693 574 HA ALA 99 HA ALA 99 0.717 -5.361 1.095 575 HB1 ALA 99 HB1 ALA 99 1.361 -7.621 0.912 576 HB2 ALA 99 HB2 ALA 99 0.900 -7.971 2.579 577 HB3 ALA 99 HB3 ALA 99 -0.343 -7.648 1.370 578 H TRP 100 H TRP 100 -1.411 -4.814 1.213 579 HA TRP 100 HA TRP 100 -2.811 -5.111 3.766 580 HB2 TRP 100 HB2 TRP 100 -2.688 -2.462 2.275 581 HB3 TRP 100 HB3 TRP 100 -3.563 -2.789 3.789 582 HD1 TRP 100 HD1 TRP 100 -2.304 -2.721 5.901 583 HE1 TRP 100 HE1 TRP 100 0.186 -1.962 6.628 584 HE3 TRP 100 HE3 TRP 100 -0.212 -2.534 1.271 585 HZ2 TRP 100 HZ2 TRP 100 2.546 -1.421 5.296 586 HZ3 TRP 100 HZ3 TRP 100 2.109 -1.907 1.012 587 HH2 TRP 100 HH2 TRP 100 3.516 -1.353 2.948 588 H SER 101 H SER 101 -5.097 -5.060 3.599 589 HA SER 101 HA SER 101 -6.058 -6.099 1.098 590 HB2 SER 101 HB2 SER 101 -8.124 -6.498 2.238 591 HB3 SER 101 HB3 SER 101 -6.775 -6.977 3.294 592 HG SER 101 HG SER 101 -8.359 -5.774 4.409 593 H TRP 102 H TRP 102 -7.681 -5.219 -0.221 594 HA TRP 102 HA TRP 102 -7.850 -2.456 -0.585 595 HB2 TRP 102 HB2 TRP 102 -9.386 -4.816 -1.519 596 HB3 TRP 102 HB3 TRP 102 -10.195 -3.255 -1.642 597 HD1 TRP 102 HD1 TRP 102 -8.358 -5.413 -3.774 598 HE1 TRP 102 HE1 TRP 102 -7.092 -4.151 -5.627 599 HE3 TRP 102 HE3 TRP 102 -8.515 -0.701 -1.797 600 HZ2 TRP 102 HZ2 TRP 102 -6.270 -1.506 -6.176 601 HZ3 TRP 102 HZ3 TRP 102 -7.466 1.139 -3.049 602 HH2 TRP 102 HH2 TRP 102 -6.366 0.742 -5.193 603 H GLU 103 H GLU 103 -9.700 -4.624 1.459 604 HA GLU 103 HA GLU 103 -11.783 -2.823 2.108 605 HB2 GLU 103 HB2 GLU 103 -10.665 -5.226 3.520 606 HB3 GLU 103 HB3 GLU 103 -12.053 -4.296 4.136 607 HG2 GLU 103 HG2 GLU 103 -11.968 -5.849 1.479 608 HG3 GLU 103 HG3 GLU 103 -12.794 -6.229 3.009 609 H PHE 104 H PHE 104 -8.645 -3.506 3.586 610 HA PHE 104 HA PHE 104 -8.883 -1.731 5.762 611 HB2 PHE 104 HB2 PHE 104 -7.112 -3.409 5.723 612 HB3 PHE 104 HB3 PHE 104 -6.399 -2.659 4.278 613 HD1 PHE 104 HD1 PHE 104 -7.152 -2.091 7.864 614 HD2 PHE 104 HD2 PHE 104 -4.853 -0.946 4.450 615 HE1 PHE 104 HE1 PHE 104 -5.725 -0.675 9.303 616 HE2 PHE 104 HE2 PHE 104 -3.422 0.468 5.885 617 HZ PHE 104 HZ PHE 104 -3.860 0.605 8.313 618 H ILE 105 H ILE 105 -7.585 -1.291 2.489 619 HA ILE 105 HA ILE 105 -6.761 1.370 2.762 620 HB ILE 105 HB ILE 105 -7.689 -0.165 0.322 621 HG12 ILE 105 HG12 ILE 105 -4.936 0.735 1.109 622 HG13 ILE 105 HG13 ILE 105 -5.627 -0.840 1.563 623 HG21 ILE 105 HG21 ILE 105 -6.697 1.665 -1.011 624 HG22 ILE 105 HG22 ILE 105 -8.059 2.254 -0.031 625 HG23 ILE 105 HG23 ILE 105 -6.389 2.585 0.481 626 HD11 ILE 105 HD11 ILE 105 -4.200 -1.039 -0.434 627 HD12 ILE 105 HD12 ILE 105 -5.897 -1.410 -0.819 628 HD13 ILE 105 HD13 ILE 105 -5.205 0.165 -1.274 629 H LYS 106 H LYS 106 -9.879 0.004 1.788 630 HA LYS 106 HA LYS 106 -11.145 2.457 1.200 631 HB2 LYS 106 HB2 LYS 106 -12.174 -0.256 1.958 632 HB3 LYS 106 HB3 LYS 106 -13.264 1.121 1.666 633 HG2 LYS 106 HG2 LYS 106 -12.594 1.287 -0.619 634 HG3 LYS 106 HG3 LYS 106 -11.232 0.169 -0.368 635 HD2 LYS 106 HD2 LYS 106 -13.001 -1.019 -1.506 636 HD3 LYS 106 HD3 LYS 106 -12.874 -1.636 0.158 637 HE2 LYS 106 HE2 LYS 106 -14.761 -0.241 0.841 638 HE3 LYS 106 HE3 LYS 106 -14.872 0.436 -0.800 639 HZ1 LYS 106 HZ1 LYS 106 -16.478 -1.316 -0.450 640 HZ2 LYS 106 HZ2 LYS 106 -15.389 -1.769 -1.604 641 HZ3 LYS 106 HZ3 LYS 106 -15.285 -2.395 -0.081 642 H ASN 107 H ASN 107 -11.045 0.489 4.151 643 HA ASN 107 HA ASN 107 -12.658 2.136 5.747 644 HB2 ASN 107 HB2 ASN 107 -10.444 0.206 6.744 645 HB3 ASN 107 HB3 ASN 107 -11.545 1.361 7.535 646 HD21 ASN 107 HD21 ASN 107 -11.313 -1.595 7.649 647 HD22 ASN 107 HD22 ASN 107 -12.898 -2.189 7.272 648 H ARG 108 H ARG 108 -9.268 2.323 4.879 649 HA ARG 108 HA ARG 108 -8.601 4.404 6.711 650 HB2 ARG 108 HB2 ARG 108 -7.241 3.313 4.324 651 HB3 ARG 108 HB3 ARG 108 -6.667 4.780 5.150 652 HG2 ARG 108 HG2 ARG 108 -7.088 2.123 6.543 653 HG3 ARG 108 HG3 ARG 108 -5.532 2.633 5.842 654 HD2 ARG 108 HD2 ARG 108 -7.047 4.005 8.041 655 HD3 ARG 108 HD3 ARG 108 -5.593 2.996 8.213 656 HE ARG 108 HE ARG 108 -4.858 5.230 6.550 657 HH11 ARG 108 HH11 ARG 108 -5.978 4.733 9.816 658 HH12 ARG 108 HH12 ARG 108 -5.092 6.151 10.341 659 HH21 ARG 108 HH21 ARG 108 -3.842 6.859 7.136 660 HH22 ARG 108 HH22 ARG 108 -3.874 7.365 8.815 661 H LEU 109 H LEU 109 -9.735 4.302 3.376 662 HA LEU 109 HA LEU 109 -9.464 7.099 2.902 663 HB2 LEU 109 HB2 LEU 109 -10.981 4.917 1.686 664 HB3 LEU 109 HB3 LEU 109 -11.121 6.530 0.948 665 HG LEU 109 HG LEU 109 -8.557 4.919 1.249 666 HD11 LEU 109 HD11 LEU 109 -8.667 4.739 -1.251 667 HD12 LEU 109 HD12 LEU 109 -10.088 3.989 -0.486 668 HD13 LEU 109 HD13 LEU 109 -10.222 5.601 -1.230 669 HD21 LEU 109 HD21 LEU 109 -7.543 6.680 -0.157 670 HD22 LEU 109 HD22 LEU 109 -9.079 7.578 -0.108 671 HD23 LEU 109 HD23 LEU 109 -8.159 7.306 1.391 672 H LYS 110 H LYS 110 -12.004 5.047 4.177 673 HA LYS 110 HA LYS 110 -14.122 6.899 4.053 674 HB2 LYS 110 HB2 LYS 110 -13.570 4.516 5.784 675 HB3 LYS 110 HB3 LYS 110 -15.026 5.518 6.007 676 HG2 LYS 110 HG2 LYS 110 -15.755 5.026 3.735 677 HG3 LYS 110 HG3 LYS 110 -14.263 4.107 3.428 678 HD2 LYS 110 HD2 LYS 110 -14.884 2.489 5.163 679 HD3 LYS 110 HD3 LYS 110 -16.360 3.418 5.513 680 HE2 LYS 110 HE2 LYS 110 -17.147 3.028 3.213 681 HE3 LYS 110 HE3 LYS 110 -15.676 2.088 2.873 682 HZ1 LYS 110 HZ1 LYS 110 -17.534 0.667 3.417 683 HZ2 LYS 110 HZ2 LYS 110 -16.361 0.527 4.568 684 HZ3 LYS 110 HZ3 LYS 110 -17.724 1.400 4.882 685 H GLU 111 H GLU 111 -11.525 6.424 6.354 686 HA GLU 111 HA GLU 111 -12.525 8.090 8.406 687 HB2 GLU 111 HB2 GLU 111 -9.746 7.255 7.638 688 HB3 GLU 111 HB3 GLU 111 -10.087 8.300 9.039 689 HG2 GLU 111 HG2 GLU 111 -11.463 6.439 10.060 690 HG3 GLU 111 HG3 GLU 111 -11.144 5.546 8.556 691 H LEU 112 H LEU 112 -11.238 8.776 5.315 692 HA LEU 112 HA LEU 112 -10.905 11.610 6.040 693 HB2 LEU 112 HB2 LEU 112 -9.292 11.775 4.320 694 HB3 LEU 112 HB3 LEU 112 -8.654 10.801 5.664 695 HG LEU 112 HG LEU 112 -9.493 8.780 4.191 696 HD11 LEU 112 HD11 LEU 112 -9.221 9.253 1.742 697 HD12 LEU 112 HD12 LEU 112 -10.548 10.209 2.441 698 HD13 LEU 112 HD13 LEU 112 -8.974 10.975 2.118 699 HD21 LEU 112 HD21 LEU 112 -7.256 8.636 3.152 700 HD22 LEU 112 HD22 LEU 112 -6.975 10.345 3.561 701 HD23 LEU 112 HD23 LEU 112 -7.190 9.144 4.857 702 H ASN 113 H ASN 113 -13.110 9.914 4.793 703 HA ASN 113 HA ASN 113 -13.408 11.438 2.292 704 HB2 ASN 113 HB2 ASN 113 -13.611 8.747 2.154 705 HB3 ASN 113 HB3 ASN 113 -14.960 9.246 3.203 706 HD21 ASN 113 HD21 ASN 113 -14.932 7.851 0.621 707 HD22 ASN 113 HD22 ASN 113 -15.926 8.797 -0.437 708 H LEU 114 H LEU 114 -14.099 13.309 3.492 709 HA LEU 114 HA LEU 114 -16.433 13.202 5.147 710 HB2 LEU 114 HB2 LEU 114 -14.931 15.367 3.864 711 HB3 LEU 114 HB3 LEU 114 -16.247 15.778 4.988 712 HG LEU 114 HG LEU 114 -13.681 14.285 5.658 713 HD11 LEU 114 HD11 LEU 114 -13.200 16.299 7.075 714 HD12 LEU 114 HD12 LEU 114 -13.375 16.741 5.361 715 HD13 LEU 114 HD13 LEU 114 -14.709 17.044 6.501 716 HD21 LEU 114 HD21 LEU 114 -14.473 14.361 7.997 717 HD22 LEU 114 HD22 LEU 114 -16.009 15.065 7.435 718 HD23 LEU 114 HD23 LEU 114 -15.550 13.420 6.937 Start of MODEL 16 1 H1 GLY 29 H1 GLY 29 -16.329 -0.986 -23.642 2 H2 GLY 29 H2 GLY 29 -16.016 -0.668 -22.210 3 H3 GLY 29 H3 GLY 29 -15.400 0.145 -23.311 4 HA2 GLY 29 HA2 GLY 29 -14.255 -2.154 -22.130 5 HA3 GLY 29 HA3 GLY 29 -14.623 -2.527 -23.807 6 H SER 30 H SER 30 -12.816 -2.405 -24.982 7 HA SER 30 HA SER 30 -11.444 -1.114 -26.333 8 HB2 SER 30 HB2 SER 30 -11.420 0.988 -24.180 9 HB3 SER 30 HB3 SER 30 -10.978 1.162 -25.895 10 HG SER 30 HG SER 30 -13.066 1.980 -25.429 11 H GLU 31 H GLU 31 -10.756 -3.020 -24.150 12 HA GLU 31 HA GLU 31 -8.048 -2.569 -23.560 13 HB2 GLU 31 HB2 GLU 31 -8.238 -1.900 -21.200 14 HB3 GLU 31 HB3 GLU 31 -8.730 -0.641 -22.361 15 HG2 GLU 31 HG2 GLU 31 -11.192 -1.429 -21.878 16 HG3 GLU 31 HG3 GLU 31 -10.396 -2.360 -20.589 17 H GLU 32 H GLU 32 -7.245 -4.024 -21.829 18 HA GLU 32 HA GLU 32 -9.222 -6.035 -20.976 19 HB2 GLU 32 HB2 GLU 32 -6.330 -6.483 -21.684 20 HB3 GLU 32 HB3 GLU 32 -7.400 -7.696 -20.942 21 HG2 GLU 32 HG2 GLU 32 -8.881 -7.553 -23.036 22 HG3 GLU 32 HG3 GLU 32 -7.664 -6.393 -23.617 23 H LYS 33 H LYS 33 -7.210 -3.595 -20.012 24 HA LYS 33 HA LYS 33 -6.510 -2.908 -17.934 25 HB2 LYS 33 HB2 LYS 33 -9.133 -4.264 -17.369 26 HB3 LYS 33 HB3 LYS 33 -8.265 -3.256 -16.188 27 HG2 LYS 33 HG2 LYS 33 -8.447 -1.321 -17.685 28 HG3 LYS 33 HG3 LYS 33 -9.287 -2.324 -18.893 29 HD2 LYS 33 HD2 LYS 33 -10.961 -1.087 -17.703 30 HD3 LYS 33 HD3 LYS 33 -11.057 -2.781 -17.165 31 HE2 LYS 33 HE2 LYS 33 -9.717 -2.217 -15.177 32 HE3 LYS 33 HE3 LYS 33 -9.648 -0.523 -15.710 33 HZ1 LYS 33 HZ1 LYS 33 -11.369 -0.869 -14.071 34 HZ2 LYS 33 HZ2 LYS 33 -12.040 -0.429 -15.511 35 HZ3 LYS 33 HZ3 LYS 33 -12.105 -2.002 -15.018 36 H GLU 34 H GLU 34 -4.907 -4.895 -18.383 37 HA GLU 34 HA GLU 34 -4.540 -6.119 -15.812 38 HB2 GLU 34 HB2 GLU 34 -4.542 -8.409 -16.510 39 HB3 GLU 34 HB3 GLU 34 -6.131 -7.663 -16.813 40 HG2 GLU 34 HG2 GLU 34 -5.427 -7.420 -19.286 41 HG3 GLU 34 HG3 GLU 34 -3.956 -8.274 -18.768 42 H GLU 35 H GLU 35 -2.431 -6.920 -15.511 43 HA GLU 35 HA GLU 35 -0.528 -6.363 -17.657 44 HB2 GLU 35 HB2 GLU 35 -0.132 -7.114 -14.771 45 HB3 GLU 35 HB3 GLU 35 1.188 -6.869 -15.940 46 HG2 GLU 35 HG2 GLU 35 0.398 -4.447 -16.214 47 HG3 GLU 35 HG3 GLU 35 -0.843 -4.880 -15.015 48 H LYS 36 H LYS 36 -2.494 -8.771 -17.169 49 HA LYS 36 HA LYS 36 -2.530 -10.958 -17.816 50 HB2 LYS 36 HB2 LYS 36 0.353 -10.510 -18.563 51 HB3 LYS 36 HB3 LYS 36 -0.639 -11.922 -19.002 52 HG2 LYS 36 HG2 LYS 36 -1.163 -9.057 -19.870 53 HG3 LYS 36 HG3 LYS 36 -0.399 -10.313 -20.873 54 HD2 LYS 36 HD2 LYS 36 -2.441 -11.688 -20.696 55 HD3 LYS 36 HD3 LYS 36 -3.205 -10.414 -19.713 56 HE2 LYS 36 HE2 LYS 36 -2.926 -8.833 -21.607 57 HE3 LYS 36 HE3 LYS 36 -2.262 -10.161 -22.586 58 HZ1 LYS 36 HZ1 LYS 36 -4.600 -9.820 -23.017 59 HZ2 LYS 36 HZ2 LYS 36 -4.360 -11.306 -22.340 60 HZ3 LYS 36 HZ3 LYS 36 -4.975 -10.073 -21.432 61 H LYS 37 H LYS 37 -0.995 -9.753 -15.258 62 HA LYS 37 HA LYS 37 -1.142 -12.386 -14.046 63 HB2 LYS 37 HB2 LYS 37 1.219 -12.133 -14.626 64 HB3 LYS 37 HB3 LYS 37 1.272 -10.626 -13.679 65 HG2 LYS 37 HG2 LYS 37 0.711 -11.918 -11.639 66 HG3 LYS 37 HG3 LYS 37 0.738 -13.415 -12.600 67 HD2 LYS 37 HD2 LYS 37 3.089 -11.514 -12.329 68 HD3 LYS 37 HD3 LYS 37 2.854 -12.959 -11.317 69 HE2 LYS 37 HE2 LYS 37 2.818 -14.350 -13.373 70 HE3 LYS 37 HE3 LYS 37 3.160 -12.894 -14.335 71 HZ1 LYS 37 HZ1 LYS 37 5.159 -14.140 -13.867 72 HZ2 LYS 37 HZ2 LYS 37 5.227 -12.664 -13.133 73 HZ3 LYS 37 HZ3 LYS 37 4.909 -14.015 -12.241 74 H VAL 38 H VAL 38 -1.066 -8.915 -13.811 75 HA VAL 38 HA VAL 38 -2.448 -8.982 -11.257 76 HB VAL 38 HB VAL 38 -0.797 -7.289 -10.284 77 HG11 VAL 38 HG11 VAL 38 0.710 -9.066 -9.457 78 HG12 VAL 38 HG12 VAL 38 -0.983 -9.617 -9.475 79 HG13 VAL 38 HG13 VAL 38 0.141 -10.150 -10.748 80 HG21 VAL 38 HG21 VAL 38 1.502 -7.413 -11.107 81 HG22 VAL 38 HG22 VAL 38 0.959 -8.437 -12.459 82 HG23 VAL 38 HG23 VAL 38 0.388 -6.756 -12.330 83 H ARG 39 H ARG 39 -2.817 -6.616 -10.498 84 HA ARG 39 HA ARG 39 -3.748 -5.102 -12.812 85 HB2 ARG 39 HB2 ARG 39 -4.302 -4.524 -9.950 86 HB3 ARG 39 HB3 ARG 39 -5.065 -3.804 -11.387 87 HG2 ARG 39 HG2 ARG 39 -5.268 -6.705 -10.515 88 HG3 ARG 39 HG3 ARG 39 -6.532 -5.464 -10.329 89 HD2 ARG 39 HD2 ARG 39 -5.442 -6.581 -12.891 90 HD3 ARG 39 HD3 ARG 39 -7.038 -6.888 -12.166 91 HE ARG 39 HE ARG 39 -6.381 -4.482 -13.769 92 HH11 ARG 39 HH11 ARG 39 -8.551 -5.834 -11.397 93 HH12 ARG 39 HH12 ARG 39 -9.757 -4.629 -11.805 94 HH21 ARG 39 HH21 ARG 39 -7.756 -3.101 -14.254 95 HH22 ARG 39 HH22 ARG 39 -9.305 -3.071 -13.434 96 H GLU 40 H GLU 40 -3.230 -2.884 -13.138 97 HA GLU 40 HA GLU 40 -0.388 -2.670 -12.853 98 HB2 GLU 40 HB2 GLU 40 -0.508 -0.854 -14.389 99 HB3 GLU 40 HB3 GLU 40 -1.550 -2.183 -14.949 100 HG2 GLU 40 HG2 GLU 40 -3.563 -0.877 -14.012 101 HG3 GLU 40 HG3 GLU 40 -2.352 0.360 -13.602 102 H LEU 41 H LEU 41 0.417 -0.231 -12.603 103 HA LEU 41 HA LEU 41 -0.668 0.708 -10.033 104 HB2 LEU 41 HB2 LEU 41 2.098 0.789 -11.198 105 HB3 LEU 41 HB3 LEU 41 1.628 1.809 -9.839 106 HG LEU 41 HG LEU 41 0.908 -0.535 -8.819 107 HD11 LEU 41 HD11 LEU 41 1.949 -2.378 -9.619 108 HD12 LEU 41 HD12 LEU 41 3.346 -1.475 -10.205 109 HD13 LEU 41 HD13 LEU 41 1.846 -1.478 -11.133 110 HD21 LEU 41 HD21 LEU 41 3.272 1.137 -8.712 111 HD22 LEU 41 HD22 LEU 41 3.636 -0.546 -8.326 112 HD23 LEU 41 HD23 LEU 41 2.405 0.324 -7.409 113 H THR 42 H THR 42 -2.264 1.997 -11.089 114 HA THR 42 HA THR 42 -1.533 4.035 -12.957 115 HB THR 42 HB THR 42 -3.833 4.860 -12.703 116 HG1 THR 42 HG1 THR 42 -5.203 3.724 -11.204 117 HG21 THR 42 HG21 THR 42 -5.013 2.808 -13.410 118 HG22 THR 42 HG22 THR 42 -3.413 2.925 -14.182 119 HG23 THR 42 HG23 THR 42 -3.659 1.823 -12.808 120 HA PRO 43 HA PRO 43 -0.475 7.446 -10.302 121 HB2 PRO 43 HB2 PRO 43 -1.712 9.521 -11.582 122 HB3 PRO 43 HB3 PRO 43 -0.209 8.784 -12.152 123 HG2 PRO 43 HG2 PRO 43 -3.059 8.243 -13.053 124 HG3 PRO 43 HG3 PRO 43 -1.611 8.493 -14.039 125 HD2 PRO 43 HD2 PRO 43 -2.529 5.979 -13.561 126 HD3 PRO 43 HD3 PRO 43 -0.791 6.290 -13.631 127 H GLN 44 H GLN 44 -3.792 6.665 -11.044 128 HA GLN 44 HA GLN 44 -4.913 8.326 -8.980 129 HB2 GLN 44 HB2 GLN 44 -6.165 7.715 -10.994 130 HB3 GLN 44 HB3 GLN 44 -6.110 6.010 -10.489 131 HG2 GLN 44 HG2 GLN 44 -7.604 6.775 -8.361 132 HG3 GLN 44 HG3 GLN 44 -7.305 8.309 -9.211 133 HE21 GLN 44 HE21 GLN 44 -9.874 7.478 -8.594 134 HE22 GLN 44 HE22 GLN 44 -10.712 7.066 -10.053 135 H GLU 45 H GLU 45 -4.135 4.893 -9.355 136 HA GLU 45 HA GLU 45 -5.221 4.097 -6.855 137 HB2 GLU 45 HB2 GLU 45 -3.300 2.832 -8.777 138 HB3 GLU 45 HB3 GLU 45 -3.714 2.070 -7.221 139 HG2 GLU 45 HG2 GLU 45 -6.122 1.933 -7.929 140 HG3 GLU 45 HG3 GLU 45 -5.641 2.875 -9.359 141 H LEU 46 H LEU 46 -2.038 5.154 -7.908 142 HA LEU 46 HA LEU 46 -0.681 4.429 -5.513 143 HB2 LEU 46 HB2 LEU 46 -0.150 6.229 -7.754 144 HB3 LEU 46 HB3 LEU 46 1.095 6.109 -6.488 145 HG LEU 46 HG LEU 46 0.086 3.836 -8.242 146 HD11 LEU 46 HD11 LEU 46 2.406 3.888 -9.196 147 HD12 LEU 46 HD12 LEU 46 1.569 5.437 -9.450 148 HD13 LEU 46 HD13 LEU 46 2.785 5.282 -8.160 149 HD21 LEU 46 HD21 LEU 46 1.879 2.502 -7.188 150 HD22 LEU 46 HD22 LEU 46 2.241 3.873 -6.111 151 HD23 LEU 46 HD23 LEU 46 0.660 3.061 -6.018 152 H GLU 47 H GLU 47 -2.216 7.384 -6.682 153 HA GLU 47 HA GLU 47 -1.195 9.042 -4.601 154 HB2 GLU 47 HB2 GLU 47 -3.348 9.356 -6.655 155 HB3 GLU 47 HB3 GLU 47 -3.090 10.580 -5.388 156 HG2 GLU 47 HG2 GLU 47 -0.756 10.966 -6.243 157 HG3 GLU 47 HG3 GLU 47 -1.053 9.602 -7.344 158 H LEU 48 H LEU 48 -4.243 7.335 -5.132 159 HA LEU 48 HA LEU 48 -5.576 8.359 -2.853 160 HB2 LEU 48 HB2 LEU 48 -7.280 6.898 -3.357 161 HB3 LEU 48 HB3 LEU 48 -6.505 7.117 -4.925 162 HG LEU 48 HG LEU 48 -5.225 4.944 -4.324 163 HD11 LEU 48 HD11 LEU 48 -6.272 5.110 -1.939 164 HD12 LEU 48 HD12 LEU 48 -6.083 3.541 -2.718 165 HD13 LEU 48 HD13 LEU 48 -7.657 4.335 -2.707 166 HD21 LEU 48 HD21 LEU 48 -6.714 3.764 -5.609 167 HD22 LEU 48 HD22 LEU 48 -7.208 5.417 -5.975 168 HD23 LEU 48 HD23 LEU 48 -8.125 4.460 -4.811 169 H PHE 49 H PHE 49 -3.238 5.848 -3.305 170 HA PHE 49 HA PHE 49 -3.665 4.466 -0.863 171 HB2 PHE 49 HB2 PHE 49 -2.386 3.435 -2.688 172 HB3 PHE 49 HB3 PHE 49 -1.141 4.696 -2.541 173 HD1 PHE 49 HD1 PHE 49 -2.664 1.760 -0.924 174 HD2 PHE 49 HD2 PHE 49 0.522 4.606 -0.874 175 HE1 PHE 49 HE1 PHE 49 -1.446 0.365 0.714 176 HE2 PHE 49 HE2 PHE 49 1.745 3.211 0.762 177 HZ PHE 49 HZ PHE 49 0.759 1.090 1.556 178 H LYS 50 H LYS 50 -1.132 6.809 -1.777 179 HA LYS 50 HA LYS 50 -0.177 7.175 0.854 180 HB2 LYS 50 HB2 LYS 50 1.098 8.985 0.020 181 HB3 LYS 50 HB3 LYS 50 1.100 7.675 -1.186 182 HG2 LYS 50 HG2 LYS 50 -0.597 8.879 -2.500 183 HG3 LYS 50 HG3 LYS 50 -0.604 10.188 -1.294 184 HD2 LYS 50 HD2 LYS 50 1.789 10.607 -1.752 185 HD3 LYS 50 HD3 LYS 50 1.767 9.322 -2.983 186 HE2 LYS 50 HE2 LYS 50 0.053 10.567 -4.243 187 HE3 LYS 50 HE3 LYS 50 0.103 11.859 -3.021 188 HZ1 LYS 50 HZ1 LYS 50 1.455 12.392 -4.934 189 HZ2 LYS 50 HZ2 LYS 50 2.407 12.225 -3.597 190 HZ3 LYS 50 HZ3 LYS 50 2.360 11.027 -4.731 191 H ARG 51 H ARG 51 -2.761 8.661 -0.962 192 HA ARG 51 HA ARG 51 -3.334 10.795 0.786 193 HB2 ARG 51 HB2 ARG 51 -4.263 10.701 -1.388 194 HB3 ARG 51 HB3 ARG 51 -5.208 9.261 -0.941 195 HG2 ARG 51 HG2 ARG 51 -6.467 10.568 0.692 196 HG3 ARG 51 HG3 ARG 51 -5.492 12.009 0.313 197 HD2 ARG 51 HD2 ARG 51 -6.376 12.021 -1.932 198 HD3 ARG 51 HD3 ARG 51 -7.338 10.570 -1.566 199 HE ARG 51 HE ARG 51 -8.174 12.681 0.241 200 HH11 ARG 51 HH11 ARG 51 -8.293 11.938 -3.163 201 HH12 ARG 51 HH12 ARG 51 -9.785 12.843 -3.314 202 HH21 ARG 51 HH21 ARG 51 -9.878 13.728 0.083 203 HH22 ARG 51 HH22 ARG 51 -10.691 13.866 -1.465 204 H ALA 52 H ALA 52 -4.531 7.447 0.702 205 HA ALA 52 HA ALA 52 -6.182 7.668 2.984 206 HB1 ALA 52 HB1 ALA 52 -6.357 5.879 1.270 207 HB2 ALA 52 HB2 ALA 52 -4.878 5.169 1.916 208 HB3 ALA 52 HB3 ALA 52 -6.320 5.272 2.925 209 H MET 53 H MET 53 -2.796 6.787 2.551 210 HA MET 53 HA MET 53 -2.501 5.949 5.297 211 HB2 MET 53 HB2 MET 53 -0.506 6.323 3.079 212 HB3 MET 53 HB3 MET 53 -0.111 5.696 4.697 213 HG2 MET 53 HG2 MET 53 -2.028 4.418 2.722 214 HG3 MET 53 HG3 MET 53 -0.353 3.898 3.015 215 HE1 MET 53 HE1 MET 53 -2.551 1.034 4.647 216 HE2 MET 53 HE2 MET 53 -2.959 1.984 3.197 217 HE3 MET 53 HE3 MET 53 -1.292 1.411 3.448 218 H GLY 54 H GLY 54 -2.394 8.888 3.618 219 HA2 GLY 54 HA2 GLY 54 -1.993 11.024 4.363 220 HA3 GLY 54 HA3 GLY 54 -1.849 10.355 5.981 221 H ILE 55 H ILE 55 0.115 9.650 3.114 222 HA ILE 55 HA ILE 55 2.465 9.651 4.742 223 HB ILE 55 HB ILE 55 2.133 9.327 1.744 224 HG12 ILE 55 HG12 ILE 55 2.682 7.300 3.897 225 HG13 ILE 55 HG13 ILE 55 1.089 7.628 3.175 226 HG21 ILE 55 HG21 ILE 55 4.449 8.465 1.787 227 HG22 ILE 55 HG22 ILE 55 4.390 10.163 2.310 228 HG23 ILE 55 HG23 ILE 55 4.569 8.867 3.516 229 HD11 ILE 55 HD11 ILE 55 2.135 5.643 2.159 230 HD12 ILE 55 HD12 ILE 55 1.951 6.952 0.967 231 HD13 ILE 55 HD13 ILE 55 3.543 6.623 1.691 232 H THR 56 H THR 56 3.802 11.279 5.148 233 HA THR 56 HA THR 56 3.460 13.774 3.645 234 HB THR 56 HB THR 56 4.523 14.920 5.502 235 HG1 THR 56 HG1 THR 56 4.955 12.268 6.463 236 HG21 THR 56 HG21 THR 56 2.905 14.403 7.296 237 HG22 THR 56 HG22 THR 56 2.109 14.428 5.705 238 HG23 THR 56 HG23 THR 56 2.492 12.875 6.482 239 HA PRO 57 HA PRO 57 7.410 13.707 1.678 240 HB2 PRO 57 HB2 PRO 57 8.296 16.278 2.119 241 HB3 PRO 57 HB3 PRO 57 7.114 15.831 0.880 242 HG2 PRO 57 HG2 PRO 57 6.628 16.904 3.680 243 HG3 PRO 57 HG3 PRO 57 5.874 17.395 2.157 244 HD2 PRO 57 HD2 PRO 57 4.550 15.732 3.823 245 HD3 PRO 57 HD3 PRO 57 4.466 15.457 2.078 246 H HIS 58 H HIS 58 7.121 14.559 5.034 247 HA HIS 58 HA HIS 58 9.884 14.485 5.689 248 HB2 HIS 58 HB2 HIS 58 8.306 15.545 7.223 249 HB3 HIS 58 HB3 HIS 58 7.449 14.000 7.442 250 HD1 HIS 58 HD1 HIS 58 10.869 15.541 8.098 251 HD2 HIS 58 HD2 HIS 58 8.374 12.523 9.656 252 HE1 HIS 58 HE1 HIS 58 12.022 14.661 10.065 253 H ASN 59 H ASN 59 7.298 12.054 5.806 254 HA ASN 59 HA ASN 59 9.352 9.994 6.253 255 HB2 ASN 59 HB2 ASN 59 7.630 8.636 7.493 256 HB3 ASN 59 HB3 ASN 59 7.819 10.370 7.851 257 HD21 ASN 59 HD21 ASN 59 5.604 8.847 8.597 258 HD22 ASN 59 HD22 ASN 59 4.216 9.441 7.748 259 H TYR 60 H TYR 60 8.272 11.272 3.705 260 HA TYR 60 HA TYR 60 6.824 9.320 2.275 261 HB2 TYR 60 HB2 TYR 60 7.010 11.646 1.565 262 HB3 TYR 60 HB3 TYR 60 8.746 11.408 1.256 263 HD1 TYR 60 HD1 TYR 60 5.342 10.402 0.146 264 HD2 TYR 60 HD2 TYR 60 9.500 10.455 -0.791 265 HE1 TYR 60 HE1 TYR 60 4.824 9.657 -2.159 266 HE2 TYR 60 HE2 TYR 60 9.002 9.712 -3.094 267 HH TYR 60 HH TYR 60 7.383 9.128 -4.587 268 H TRP 61 H TRP 61 10.313 10.037 2.348 269 HA TRP 61 HA TRP 61 11.080 7.891 0.688 270 HB2 TRP 61 HB2 TRP 61 13.362 8.327 1.454 271 HB3 TRP 61 HB3 TRP 61 12.525 9.876 1.191 272 HD1 TRP 61 HD1 TRP 61 12.080 11.321 3.167 273 HE1 TRP 61 HE1 TRP 61 13.018 11.398 5.701 274 HE3 TRP 61 HE3 TRP 61 14.109 6.664 3.338 275 HZ2 TRP 61 HZ2 TRP 61 14.381 9.646 7.347 276 HZ3 TRP 61 HZ3 TRP 61 15.205 5.890 5.349 277 HH2 TRP 61 HH2 TRP 61 15.369 7.305 7.352 278 H GLN 62 H GLN 62 10.373 8.105 4.091 279 HA GLN 62 HA GLN 62 11.507 5.636 4.884 280 HB2 GLN 62 HB2 GLN 62 9.238 7.271 5.995 281 HB3 GLN 62 HB3 GLN 62 9.835 5.777 6.758 282 HG2 GLN 62 HG2 GLN 62 12.211 7.082 6.998 283 HG3 GLN 62 HG3 GLN 62 11.172 8.269 6.175 284 HE21 GLN 62 HE21 GLN 62 12.524 8.793 8.583 285 HE22 GLN 62 HE22 GLN 62 11.352 9.001 9.842 286 H TRP 63 H TRP 63 8.253 6.538 3.790 287 HA TRP 63 HA TRP 63 7.208 3.898 3.836 288 HB2 TRP 63 HB2 TRP 63 6.377 6.513 2.685 289 HB3 TRP 63 HB3 TRP 63 5.653 5.063 1.993 290 HD1 TRP 63 HD1 TRP 63 5.737 7.129 5.204 291 HE1 TRP 63 HE1 TRP 63 3.797 6.376 6.721 292 HE3 TRP 63 HE3 TRP 63 4.166 3.050 2.550 293 HZ2 TRP 63 HZ2 TRP 63 1.860 4.324 6.786 294 HZ3 TRP 63 HZ3 TRP 63 2.265 1.747 3.409 295 HH2 TRP 63 HH2 TRP 63 1.138 2.370 5.483 296 H ALA 64 H ALA 64 8.871 5.819 1.393 297 HA ALA 64 HA ALA 64 8.495 4.157 -0.818 298 HB1 ALA 64 HB1 ALA 64 10.672 5.164 -1.624 299 HB2 ALA 64 HB2 ALA 64 9.398 6.305 -1.194 300 HB3 ALA 64 HB3 ALA 64 10.739 6.021 -0.084 301 H SER 65 H SER 65 10.704 3.910 1.887 302 HA SER 65 HA SER 65 12.431 1.959 0.780 303 HB2 SER 65 HB2 SER 65 13.081 3.295 2.689 304 HB3 SER 65 HB3 SER 65 11.774 2.578 3.657 305 HG SER 65 HG SER 65 13.806 1.591 4.038 306 H ARG 66 H ARG 66 9.537 1.721 2.819 307 HA ARG 66 HA ARG 66 9.764 -1.144 3.023 308 HB2 ARG 66 HB2 ARG 66 7.931 -1.163 4.408 309 HB3 ARG 66 HB3 ARG 66 8.978 0.200 4.867 310 HG2 ARG 66 HG2 ARG 66 7.464 1.796 4.042 311 HG3 ARG 66 HG3 ARG 66 6.580 0.589 3.079 312 HD2 ARG 66 HD2 ARG 66 5.304 1.349 4.978 313 HD3 ARG 66 HD3 ARG 66 5.688 -0.385 5.085 314 HE ARG 66 HE ARG 66 7.041 0.153 7.097 315 HH11 ARG 66 HH11 ARG 66 5.936 3.073 5.546 316 HH12 ARG 66 HH12 ARG 66 6.360 3.999 6.973 317 HH21 ARG 66 HH21 ARG 66 7.541 1.199 8.735 318 HH22 ARG 66 HH22 ARG 66 7.277 2.931 8.792 319 H THR 67 H THR 67 8.143 1.125 0.981 320 HA THR 67 HA THR 67 6.249 -0.857 -0.008 321 HB THR 67 HB THR 67 5.358 0.977 -1.417 322 HG1 THR 67 HG1 THR 67 7.380 2.518 -0.104 323 HG21 THR 67 HG21 THR 67 4.490 2.365 0.432 324 HG22 THR 67 HG22 THR 67 4.485 0.640 0.871 325 HG23 THR 67 HG23 THR 67 5.748 1.718 1.510 326 H ASN 68 H ASN 68 9.382 -0.382 -0.534 327 HA ASN 68 HA ASN 68 10.851 -0.749 -2.234 328 HB2 ASN 68 HB2 ASN 68 9.372 -3.048 -2.317 329 HB3 ASN 68 HB3 ASN 68 8.713 -1.999 -3.594 330 HD21 ASN 68 HD21 ASN 68 9.409 -4.159 -4.644 331 HD22 ASN 68 HD22 ASN 68 10.974 -4.139 -5.385 332 H ASN 69 H ASN 69 10.108 1.689 -2.533 333 HA ASN 69 HA ASN 69 9.865 3.419 -3.991 334 HB2 ASN 69 HB2 ASN 69 11.335 1.691 -5.615 335 HB3 ASN 69 HB3 ASN 69 9.638 1.649 -6.151 336 HD21 ASN 69 HD21 ASN 69 10.645 2.403 -8.154 337 HD22 ASN 69 HD22 ASN 69 10.865 4.109 -8.372 338 H PHE 70 H PHE 70 7.561 2.134 -2.904 339 HA PHE 70 HA PHE 70 5.304 1.927 -3.151 340 HB2 PHE 70 HB2 PHE 70 5.853 4.239 -5.038 341 HB3 PHE 70 HB3 PHE 70 4.224 3.745 -4.523 342 HD1 PHE 70 HD1 PHE 70 3.624 3.865 -2.109 343 HD2 PHE 70 HD2 PHE 70 7.199 5.584 -3.697 344 HE1 PHE 70 HE1 PHE 70 3.817 5.304 -0.108 345 HE2 PHE 70 HE2 PHE 70 7.397 7.023 -1.696 346 HZ PHE 70 HZ PHE 70 5.706 6.883 0.098 347 H LYS 71 H LYS 71 6.835 0.133 -4.744 348 HA LYS 71 HA LYS 71 5.296 -0.170 -7.193 349 HB2 LYS 71 HB2 LYS 71 7.616 -1.603 -5.956 350 HB3 LYS 71 HB3 LYS 71 6.665 -2.410 -7.196 351 HG2 LYS 71 HG2 LYS 71 7.695 0.337 -7.714 352 HG3 LYS 71 HG3 LYS 71 8.794 -1.041 -7.829 353 HD2 LYS 71 HD2 LYS 71 8.051 -1.085 -9.966 354 HD3 LYS 71 HD3 LYS 71 6.718 -1.993 -9.248 355 HE2 LYS 71 HE2 LYS 71 5.355 -0.027 -9.139 356 HE3 LYS 71 HE3 LYS 71 6.706 0.998 -9.620 357 HZ1 LYS 71 HZ1 LYS 71 5.019 -0.738 -11.251 358 HZ2 LYS 71 HZ2 LYS 71 6.650 -0.624 -11.687 359 HZ3 LYS 71 HZ3 LYS 71 5.695 0.770 -11.617 360 H LEU 72 H LEU 72 3.271 -0.260 -5.876 361 HA LEU 72 HA LEU 72 2.834 -2.729 -4.407 362 HB2 LEU 72 HB2 LEU 72 1.086 -0.469 -5.079 363 HB3 LEU 72 HB3 LEU 72 0.550 -1.722 -3.937 364 HG LEU 72 HG LEU 72 2.880 0.195 -3.534 365 HD11 LEU 72 HD11 LEU 72 1.439 1.169 -1.726 366 HD12 LEU 72 HD12 LEU 72 0.655 1.298 -3.317 367 HD13 LEU 72 HD13 LEU 72 0.141 0.037 -2.172 368 HD21 LEU 72 HD21 LEU 72 2.977 -0.739 -1.249 369 HD22 LEU 72 HD22 LEU 72 1.710 -1.909 -1.693 370 HD23 LEU 72 HD23 LEU 72 3.294 -1.961 -2.503 371 H LEU 73 H LEU 73 1.722 -4.457 -5.128 372 HA LEU 73 HA LEU 73 0.344 -4.218 -7.723 373 HB2 LEU 73 HB2 LEU 73 1.787 -6.448 -6.482 374 HB3 LEU 73 HB3 LEU 73 0.874 -6.728 -7.982 375 HG LEU 73 HG LEU 73 3.192 -4.781 -7.703 376 HD11 LEU 73 HD11 LEU 73 4.503 -6.471 -9.014 377 HD12 LEU 73 HD12 LEU 73 3.962 -7.140 -7.458 378 HD13 LEU 73 HD13 LEU 73 3.108 -7.573 -8.958 379 HD21 LEU 73 HD21 LEU 73 3.126 -4.741 -10.172 380 HD22 LEU 73 HD22 LEU 73 1.700 -5.808 -10.133 381 HD23 LEU 73 HD23 LEU 73 1.609 -4.173 -9.435 382 H THR 74 H THR 74 -1.577 -5.438 -8.004 383 HA THR 74 HA THR 74 -2.757 -6.785 -5.735 384 HB THR 74 HB THR 74 -3.264 -4.454 -5.167 385 HG1 THR 74 HG1 THR 74 -4.845 -6.066 -4.722 386 HG21 THR 74 HG21 THR 74 -4.733 -3.121 -6.641 387 HG22 THR 74 HG22 THR 74 -3.198 -3.514 -7.453 388 HG23 THR 74 HG23 THR 74 -4.677 -4.412 -7.864 389 H ASP 75 H ASP 75 -4.458 -8.115 -6.295 390 HA ASP 75 HA ASP 75 -5.698 -7.878 -8.904 391 HB2 ASP 75 HB2 ASP 75 -3.551 -9.285 -9.278 392 HB3 ASP 75 HB3 ASP 75 -4.333 -10.348 -8.082 393 H GLY 76 H GLY 76 -7.559 -7.523 -7.610 394 HA2 GLY 76 HA2 GLY 76 -9.517 -8.191 -6.615 395 HA3 GLY 76 HA3 GLY 76 -9.099 -9.828 -7.096 396 H GLU 77 H GLU 77 -6.819 -8.164 -5.140 397 HA GLU 77 HA GLU 77 -7.798 -9.485 -2.717 398 HB2 GLU 77 HB2 GLU 77 -5.061 -9.858 -3.912 399 HB3 GLU 77 HB3 GLU 77 -5.512 -10.332 -2.255 400 HG2 GLU 77 HG2 GLU 77 -7.224 -11.945 -3.244 401 HG3 GLU 77 HG3 GLU 77 -6.667 -11.342 -4.820 402 H TRP 78 H TRP 78 -6.105 -8.940 -0.863 403 HA TRP 78 HA TRP 78 -5.949 -6.166 -0.494 404 HB2 TRP 78 HB2 TRP 78 -4.671 -6.634 1.464 405 HB3 TRP 78 HB3 TRP 78 -5.825 -7.953 1.291 406 HD1 TRP 78 HD1 TRP 78 -3.824 -9.285 -1.097 407 HE1 TRP 78 HE1 TRP 78 -1.857 -10.702 -0.232 408 HE3 TRP 78 HE3 TRP 78 -3.617 -7.542 3.705 409 HZ2 TRP 78 HZ2 TRP 78 -0.411 -11.038 2.169 410 HZ3 TRP 78 HZ3 TRP 78 -1.914 -8.463 5.221 411 HH2 TRP 78 HH2 TRP 78 -0.344 -10.175 4.468 412 H VAL 79 H VAL 79 -4.294 -4.686 -0.713 413 HA VAL 79 HA VAL 79 -2.533 -5.097 -2.901 414 HB VAL 79 HB VAL 79 -2.632 -2.840 -0.879 415 HG11 VAL 79 HG11 VAL 79 -1.310 -1.577 -2.543 416 HG12 VAL 79 HG12 VAL 79 -0.415 -3.001 -1.960 417 HG13 VAL 79 HG13 VAL 79 -1.198 -3.034 -3.559 418 HG21 VAL 79 HG21 VAL 79 -3.775 -1.614 -2.656 419 HG22 VAL 79 HG22 VAL 79 -3.750 -3.072 -3.677 420 HG23 VAL 79 HG23 VAL 79 -4.677 -3.063 -2.157 421 H TRP 80 H TRP 80 -0.444 -5.682 -2.971 422 HA TRP 80 HA TRP 80 1.017 -5.904 -0.423 423 HB2 TRP 80 HB2 TRP 80 2.022 -8.003 -1.157 424 HB3 TRP 80 HB3 TRP 80 0.252 -8.148 -1.265 425 HD1 TRP 80 HD1 TRP 80 3.311 -7.773 -3.351 426 HE1 TRP 80 HE1 TRP 80 2.788 -8.633 -5.861 427 HE3 TRP 80 HE3 TRP 80 -1.694 -8.507 -2.848 428 HZ2 TRP 80 HZ2 TRP 80 0.531 -9.456 -7.228 429 HZ3 TRP 80 HZ3 TRP 80 -2.999 -9.310 -4.718 430 HH2 TRP 80 HH2 TRP 80 -1.964 -9.797 -6.894 431 H VAL 81 H VAL 81 3.335 -5.760 -0.590 432 HA VAL 81 HA VAL 81 4.190 -3.909 -2.641 433 HB VAL 81 HB VAL 81 5.705 -5.104 -0.299 434 HG11 VAL 81 HG11 VAL 81 7.381 -3.347 -0.768 435 HG12 VAL 81 HG12 VAL 81 7.222 -4.464 -2.144 436 HG13 VAL 81 HG13 VAL 81 6.463 -2.855 -2.210 437 HG21 VAL 81 HG21 VAL 81 5.449 -2.888 0.697 438 HG22 VAL 81 HG22 VAL 81 4.461 -2.378 -0.693 439 HG23 VAL 81 HG23 VAL 81 3.880 -3.666 0.389 440 H GLU 82 H GLU 82 5.156 -4.455 -4.479 441 HA GLU 82 HA GLU 82 5.663 -7.039 -5.335 442 HB2 GLU 82 HB2 GLU 82 5.472 -5.130 -6.823 443 HB3 GLU 82 HB3 GLU 82 7.017 -4.496 -6.208 444 HG2 GLU 82 HG2 GLU 82 8.194 -6.526 -7.185 445 HG3 GLU 82 HG3 GLU 82 6.571 -7.062 -7.674 446 H GLY 83 H GLY 83 7.271 -8.471 -5.068 447 HA2 GLY 83 HA2 GLY 83 9.563 -9.065 -4.685 448 HA3 GLY 83 HA3 GLY 83 9.769 -7.554 -3.813 449 H TYR 84 H TYR 84 6.993 -8.317 -2.590 450 HA TYR 84 HA TYR 84 8.061 -10.214 -0.604 451 HB2 TYR 84 HB2 TYR 84 6.073 -7.980 -0.230 452 HB3 TYR 84 HB3 TYR 84 6.497 -9.186 1.010 453 HD1 TYR 84 HD1 TYR 84 8.907 -9.277 1.820 454 HD2 TYR 84 HD2 TYR 84 7.404 -6.046 -0.523 455 HE1 TYR 84 HE1 TYR 84 10.810 -7.878 2.548 456 HE2 TYR 84 HE2 TYR 84 9.306 -4.630 0.197 457 HH TYR 84 HH TYR 84 11.848 -5.857 2.376 458 H GLU 85 H GLU 85 6.772 -11.005 -3.011 459 HA GLU 85 HA GLU 85 4.063 -11.659 -2.651 460 HB2 GLU 85 HB2 GLU 85 6.187 -13.121 -4.206 461 HB3 GLU 85 HB3 GLU 85 4.432 -13.395 -4.342 462 HG2 GLU 85 HG2 GLU 85 4.808 -11.922 -6.192 463 HG3 GLU 85 HG3 GLU 85 4.354 -10.883 -4.821 464 H GLU 86 H GLU 86 6.925 -12.946 -1.247 465 HA GLU 86 HA GLU 86 5.845 -15.444 -0.401 466 HB2 GLU 86 HB2 GLU 86 7.707 -15.423 1.239 467 HB3 GLU 86 HB3 GLU 86 8.186 -15.251 -0.467 468 HG2 GLU 86 HG2 GLU 86 7.844 -12.686 1.103 469 HG3 GLU 86 HG3 GLU 86 9.163 -13.809 1.505 470 H HIS 87 H HIS 87 5.082 -12.317 0.426 471 HA HIS 87 HA HIS 87 4.267 -13.055 3.155 472 HB2 HIS 87 HB2 HIS 87 4.741 -10.324 1.912 473 HB3 HIS 87 HB3 HIS 87 4.037 -10.568 3.528 474 HD1 HIS 87 HD1 HIS 87 6.389 -8.978 3.748 475 HD2 HIS 87 HD2 HIS 87 6.778 -13.166 3.494 476 HE1 HIS 87 HE1 HIS 87 8.622 -9.500 4.591 477 H ILE 88 H ILE 88 2.995 -13.238 0.253 478 HA ILE 88 HA ILE 88 0.443 -11.969 0.700 479 HB ILE 88 HB ILE 88 1.349 -13.947 -1.411 480 HG12 ILE 88 HG12 ILE 88 0.734 -11.012 -1.617 481 HG13 ILE 88 HG13 ILE 88 2.363 -11.694 -1.407 482 HG21 ILE 88 HG21 ILE 88 -0.763 -13.383 -2.564 483 HG22 ILE 88 HG22 ILE 88 -1.078 -14.152 -0.992 484 HG23 ILE 88 HG23 ILE 88 -1.259 -12.392 -1.173 485 HD11 ILE 88 HD11 ILE 88 1.921 -11.160 -3.771 486 HD12 ILE 88 HD12 ILE 88 2.129 -12.912 -3.537 487 HD13 ILE 88 HD13 ILE 88 0.500 -12.229 -3.747 488 H GLY 89 H GLY 89 -1.244 -12.790 1.755 489 HA2 GLY 89 HA2 GLY 89 -2.719 -14.426 2.538 490 HA3 GLY 89 HA3 GLY 89 -1.603 -15.665 1.988 491 H LYS 90 H LYS 90 0.060 -13.344 3.720 492 HA LYS 90 HA LYS 90 0.080 -15.050 6.102 493 HB2 LYS 90 HB2 LYS 90 1.978 -13.122 4.882 494 HB3 LYS 90 HB3 LYS 90 2.018 -13.340 6.648 495 HG2 LYS 90 HG2 LYS 90 3.612 -14.874 5.917 496 HG3 LYS 90 HG3 LYS 90 2.155 -15.879 6.092 497 HD2 LYS 90 HD2 LYS 90 1.713 -15.466 3.629 498 HD3 LYS 90 HD3 LYS 90 3.336 -14.741 3.542 499 HE2 LYS 90 HE2 LYS 90 4.272 -16.874 4.444 500 HE3 LYS 90 HE3 LYS 90 2.644 -17.582 4.346 501 HZ1 LYS 90 HZ1 LYS 90 3.969 -18.126 2.419 502 HZ2 LYS 90 HZ2 LYS 90 2.687 -17.188 1.976 503 HZ3 LYS 90 HZ3 LYS 90 4.197 -16.531 2.069 504 H GLN 91 H GLN 91 -0.196 -14.203 8.189 505 HA GLN 91 HA GLN 91 -1.763 -11.728 8.273 506 HB2 GLN 91 HB2 GLN 91 -2.754 -13.787 9.186 507 HB3 GLN 91 HB3 GLN 91 -1.424 -13.869 10.365 508 HG2 GLN 91 HG2 GLN 91 -3.352 -12.698 11.637 509 HG3 GLN 91 HG3 GLN 91 -1.991 -11.717 11.044 510 HE21 GLN 91 HE21 GLN 91 -3.262 -9.825 11.138 511 HE22 GLN 91 HE22 GLN 91 -4.490 -9.497 9.963 512 H LEU 92 H LEU 92 -0.141 -10.183 8.267 513 HA LEU 92 HA LEU 92 1.693 -10.228 10.572 514 HB2 LEU 92 HB2 LEU 92 1.848 -8.873 7.974 515 HB3 LEU 92 HB3 LEU 92 3.133 -8.645 9.181 516 HG LEU 92 HG LEU 92 2.401 -11.248 7.785 517 HD11 LEU 92 HD11 LEU 92 4.677 -11.028 6.755 518 HD12 LEU 92 HD12 LEU 92 3.641 -9.646 6.333 519 HD13 LEU 92 HD13 LEU 92 4.888 -9.471 7.591 520 HD21 LEU 92 HD21 LEU 92 4.371 -12.192 8.940 521 HD22 LEU 92 HD22 LEU 92 4.568 -10.656 9.820 522 HD23 LEU 92 HD23 LEU 92 3.108 -11.644 10.071 523 HA PRO 93 HA PRO 93 -0.223 -6.629 12.325 524 HB2 PRO 93 HB2 PRO 93 2.570 -5.826 13.016 525 HB3 PRO 93 HB3 PRO 93 1.153 -5.998 14.061 526 HG2 PRO 93 HG2 PRO 93 3.051 -7.870 14.114 527 HG3 PRO 93 HG3 PRO 93 1.351 -8.356 14.174 528 HD2 PRO 93 HD2 PRO 93 3.261 -8.405 11.791 529 HD3 PRO 93 HD3 PRO 93 2.095 -9.634 12.299 530 H LEU 94 H LEU 94 -0.507 -4.439 11.878 531 HA LEU 94 HA LEU 94 -0.102 -3.658 9.248 532 HB2 LEU 94 HB2 LEU 94 -0.625 -2.173 11.712 533 HB3 LEU 94 HB3 LEU 94 -0.698 -1.287 10.171 534 HG LEU 94 HG LEU 94 -2.453 -3.636 10.987 535 HD11 LEU 94 HD11 LEU 94 -4.297 -1.933 10.964 536 HD12 LEU 94 HD12 LEU 94 -3.039 -1.509 12.150 537 HD13 LEU 94 HD13 LEU 94 -3.103 -0.670 10.581 538 HD21 LEU 94 HD21 LEU 94 -3.683 -3.181 8.892 539 HD22 LEU 94 HD22 LEU 94 -2.471 -1.945 8.472 540 HD23 LEU 94 HD23 LEU 94 -1.990 -3.654 8.607 541 H ASN 95 H ASN 95 1.885 -3.128 12.081 542 HA ASN 95 HA ASN 95 3.614 -1.210 10.850 543 HB2 ASN 95 HB2 ASN 95 4.134 -2.764 13.482 544 HB3 ASN 95 HB3 ASN 95 5.062 -1.616 12.487 545 HD21 ASN 95 HD21 ASN 95 3.930 -1.474 15.239 546 HD22 ASN 95 HD22 ASN 95 2.990 -0.019 15.261 547 H GLN 96 H GLN 96 3.472 -4.677 11.015 548 HA GLN 96 HA GLN 96 6.160 -4.865 9.830 549 HB2 GLN 96 HB2 GLN 96 4.582 -6.966 11.303 550 HB3 GLN 96 HB3 GLN 96 6.212 -7.170 10.619 551 HG2 GLN 96 HG2 GLN 96 5.595 -5.326 13.093 552 HG3 GLN 96 HG3 GLN 96 6.253 -6.958 12.828 553 HE21 GLN 96 HE21 GLN 96 7.058 -3.804 13.396 554 HE22 GLN 96 HE22 GLN 96 8.657 -3.782 12.730 555 H ALA 97 H ALA 97 3.278 -4.548 8.694 556 HA ALA 97 HA ALA 97 3.170 -6.920 6.989 557 HB1 ALA 97 HB1 ALA 97 1.030 -6.542 7.692 558 HB2 ALA 97 HB2 ALA 97 1.234 -4.790 7.734 559 HB3 ALA 97 HB3 ALA 97 1.026 -5.617 6.189 560 H ARG 98 H ARG 98 3.973 -6.911 4.984 561 HA ARG 98 HA ARG 98 4.429 -4.372 3.613 562 HB2 ARG 98 HB2 ARG 98 5.232 -7.137 2.884 563 HB3 ARG 98 HB3 ARG 98 5.461 -5.707 1.849 564 HG2 ARG 98 HG2 ARG 98 6.569 -5.905 4.658 565 HG3 ARG 98 HG3 ARG 98 7.473 -6.448 3.223 566 HD2 ARG 98 HD2 ARG 98 7.210 -4.152 2.315 567 HD3 ARG 98 HD3 ARG 98 6.555 -3.677 3.899 568 HE ARG 98 HE ARG 98 9.446 -4.207 3.379 569 HH11 ARG 98 HH11 ARG 98 6.957 -3.689 5.766 570 HH12 ARG 98 HH12 ARG 98 8.178 -3.310 6.965 571 HH21 ARG 98 HH21 ARG 98 10.855 -3.766 4.738 572 HH22 ARG 98 HH22 ARG 98 10.402 -3.353 6.380 573 H ALA 99 H ALA 99 1.734 -5.096 4.108 574 HA ALA 99 HA ALA 99 0.636 -4.902 1.488 575 HB1 ALA 99 HB1 ALA 99 0.903 -7.192 1.205 576 HB2 ALA 99 HB2 ALA 99 0.519 -7.544 2.892 577 HB3 ALA 99 HB3 ALA 99 -0.759 -7.049 1.781 578 H TRP 100 H TRP 100 -1.476 -4.198 1.514 579 HA TRP 100 HA TRP 100 -2.895 -4.228 4.081 580 HB2 TRP 100 HB2 TRP 100 -2.680 -1.786 2.310 581 HB3 TRP 100 HB3 TRP 100 -3.551 -1.900 3.835 582 HD1 TRP 100 HD1 TRP 100 -2.191 -1.537 6.036 583 HE1 TRP 100 HE1 TRP 100 0.251 -0.903 6.541 584 HE3 TRP 100 HE3 TRP 100 -0.213 -2.146 1.361 585 HZ2 TRP 100 HZ2 TRP 100 2.694 -0.687 5.142 586 HZ3 TRP 100 HZ3 TRP 100 2.184 -1.703 1.029 587 HH2 TRP 100 HH2 TRP 100 3.606 -0.989 2.881 588 H SER 101 H SER 101 -5.138 -4.288 3.940 589 HA SER 101 HA SER 101 -6.196 -5.452 1.569 590 HB2 SER 101 HB2 SER 101 -7.094 -6.187 3.619 591 HB3 SER 101 HB3 SER 101 -7.445 -4.525 4.143 592 HG SER 101 HG SER 101 -9.273 -5.766 3.348 593 H TRP 102 H TRP 102 -7.564 -4.614 0.032 594 HA TRP 102 HA TRP 102 -7.661 -1.861 -0.504 595 HB2 TRP 102 HB2 TRP 102 -9.042 -4.282 -1.522 596 HB3 TRP 102 HB3 TRP 102 -9.839 -2.738 -1.823 597 HD1 TRP 102 HD1 TRP 102 -7.578 -4.980 -3.484 598 HE1 TRP 102 HE1 TRP 102 -6.143 -3.779 -5.250 599 HE3 TRP 102 HE3 TRP 102 -8.369 -0.147 -2.019 600 HZ2 TRP 102 HZ2 TRP 102 -5.438 -1.131 -5.931 601 HZ3 TRP 102 HZ3 TRP 102 -7.277 1.661 -3.281 602 HH2 TRP 102 HH2 TRP 102 -5.841 1.177 -5.195 603 H GLU 103 H GLU 103 -9.719 -3.938 1.421 604 HA GLU 103 HA GLU 103 -11.783 -2.010 1.829 605 HB2 GLU 103 HB2 GLU 103 -10.993 -4.495 3.325 606 HB3 GLU 103 HB3 GLU 103 -12.384 -3.480 3.774 607 HG2 GLU 103 HG2 GLU 103 -12.074 -5.035 1.135 608 HG3 GLU 103 HG3 GLU 103 -13.100 -5.363 2.550 609 H PHE 104 H PHE 104 -8.850 -2.924 3.569 610 HA PHE 104 HA PHE 104 -9.129 -1.139 5.729 611 HB2 PHE 104 HB2 PHE 104 -7.451 -2.931 5.754 612 HB3 PHE 104 HB3 PHE 104 -6.589 -2.154 4.407 613 HD1 PHE 104 HD1 PHE 104 -7.642 -1.673 7.934 614 HD2 PHE 104 HD2 PHE 104 -4.972 -0.551 4.792 615 HE1 PHE 104 HE1 PHE 104 -6.285 -0.383 9.549 616 HE2 PHE 104 HE2 PHE 104 -3.613 0.738 6.404 617 HZ PHE 104 HZ PHE 104 -4.270 0.823 8.784 618 H ILE 105 H ILE 105 -7.594 -0.757 2.551 619 HA ILE 105 HA ILE 105 -6.762 1.899 2.840 620 HB ILE 105 HB ILE 105 -7.575 0.337 0.379 621 HG12 ILE 105 HG12 ILE 105 -4.872 1.256 1.317 622 HG13 ILE 105 HG13 ILE 105 -5.577 -0.332 1.696 623 HG21 ILE 105 HG21 ILE 105 -6.533 2.154 -0.933 624 HG22 ILE 105 HG22 ILE 105 -7.944 2.747 -0.027 625 HG23 ILE 105 HG23 ILE 105 -6.299 3.098 0.557 626 HD11 ILE 105 HD11 ILE 105 -4.029 -0.480 -0.214 627 HD12 ILE 105 HD12 ILE 105 -5.696 -0.855 -0.709 628 HD13 ILE 105 HD13 ILE 105 -4.990 0.734 -1.089 629 H LYS 106 H LYS 106 -9.824 0.561 1.646 630 HA LYS 106 HA LYS 106 -11.033 3.033 1.022 631 HB2 LYS 106 HB2 LYS 106 -12.124 0.314 1.647 632 HB3 LYS 106 HB3 LYS 106 -13.187 1.702 1.323 633 HG2 LYS 106 HG2 LYS 106 -12.480 1.881 -0.911 634 HG3 LYS 106 HG3 LYS 106 -11.019 0.908 -0.619 635 HD2 LYS 106 HD2 LYS 106 -12.620 -0.421 -1.864 636 HD3 LYS 106 HD3 LYS 106 -12.461 -1.077 -0.217 637 HE2 LYS 106 HE2 LYS 106 -14.507 0.076 0.460 638 HE3 LYS 106 HE3 LYS 106 -14.660 0.787 -1.163 639 HZ1 LYS 106 HZ1 LYS 106 -16.062 -1.145 -0.903 640 HZ2 LYS 106 HZ2 LYS 106 -14.905 -1.436 -2.042 641 HZ3 LYS 106 HZ3 LYS 106 -14.763 -2.094 -0.536 642 H ASN 107 H ASN 107 -10.936 1.103 3.973 643 HA ASN 107 HA ASN 107 -12.855 2.533 5.440 644 HB2 ASN 107 HB2 ASN 107 -10.521 0.845 6.588 645 HB3 ASN 107 HB3 ASN 107 -11.776 1.881 7.309 646 HD21 ASN 107 HD21 ASN 107 -11.260 -1.037 7.442 647 HD22 ASN 107 HD22 ASN 107 -12.750 -1.784 6.972 648 H ARG 108 H ARG 108 -9.382 3.019 5.024 649 HA ARG 108 HA ARG 108 -9.128 5.135 6.889 650 HB2 ARG 108 HB2 ARG 108 -7.421 4.302 4.614 651 HB3 ARG 108 HB3 ARG 108 -7.066 5.712 5.639 652 HG2 ARG 108 HG2 ARG 108 -7.049 4.219 7.623 653 HG3 ARG 108 HG3 ARG 108 -7.297 2.825 6.543 654 HD2 ARG 108 HD2 ARG 108 -5.016 2.950 7.152 655 HD3 ARG 108 HD3 ARG 108 -5.182 3.376 5.433 656 HE ARG 108 HE ARG 108 -4.362 5.638 6.031 657 HH11 ARG 108 HH11 ARG 108 -4.977 3.773 8.911 658 HH12 ARG 108 HH12 ARG 108 -4.098 4.949 9.867 659 HH21 ARG 108 HH21 ARG 108 -3.361 6.999 7.112 660 HH22 ARG 108 HH22 ARG 108 -3.177 6.790 8.843 661 H LEU 109 H LEU 109 -9.807 5.036 3.423 662 HA LEU 109 HA LEU 109 -9.805 7.841 3.023 663 HB2 LEU 109 HB2 LEU 109 -11.056 5.573 1.660 664 HB3 LEU 109 HB3 LEU 109 -11.212 7.185 0.924 665 HG LEU 109 HG LEU 109 -8.584 5.754 1.474 666 HD11 LEU 109 HD11 LEU 109 -8.467 5.477 -1.015 667 HD12 LEU 109 HD12 LEU 109 -9.884 4.641 -0.340 668 HD13 LEU 109 HD13 LEU 109 -10.082 6.209 -1.159 669 HD21 LEU 109 HD21 LEU 109 -7.597 7.542 0.083 670 HD22 LEU 109 HD22 LEU 109 -9.199 8.313 -0.031 671 HD23 LEU 109 HD23 LEU 109 -8.390 8.170 1.548 672 H LYS 110 H LYS 110 -12.248 5.543 4.052 673 HA LYS 110 HA LYS 110 -14.464 7.309 3.886 674 HB2 LYS 110 HB2 LYS 110 -13.946 4.783 5.413 675 HB3 LYS 110 HB3 LYS 110 -15.463 5.697 5.585 676 HG2 LYS 110 HG2 LYS 110 -15.956 5.399 3.220 677 HG3 LYS 110 HG3 LYS 110 -14.393 4.586 2.970 678 HD2 LYS 110 HD2 LYS 110 -15.077 2.772 4.470 679 HD3 LYS 110 HD3 LYS 110 -16.628 3.592 4.772 680 HE2 LYS 110 HE2 LYS 110 -17.177 3.410 2.374 681 HE3 LYS 110 HE3 LYS 110 -15.640 2.560 2.095 682 HZ1 LYS 110 HZ1 LYS 110 -17.476 1.028 2.319 683 HZ2 LYS 110 HZ2 LYS 110 -16.411 0.820 3.561 684 HZ3 LYS 110 HZ3 LYS 110 -17.837 1.609 3.819 685 H GLU 111 H GLU 111 -12.029 6.683 6.326 686 HA GLU 111 HA GLU 111 -13.244 8.282 8.358 687 HB2 GLU 111 HB2 GLU 111 -10.438 7.299 7.928 688 HB3 GLU 111 HB3 GLU 111 -10.917 8.296 9.325 689 HG2 GLU 111 HG2 GLU 111 -12.520 6.477 10.044 690 HG3 GLU 111 HG3 GLU 111 -12.045 5.638 8.550 691 H LEU 112 H LEU 112 -11.003 8.881 5.723 692 HA LEU 112 HA LEU 112 -10.335 11.542 6.471 693 HB2 LEU 112 HB2 LEU 112 -10.296 10.027 3.970 694 HB3 LEU 112 HB3 LEU 112 -9.649 11.683 3.951 695 HG LEU 112 HG LEU 112 -8.599 9.375 5.634 696 HD11 LEU 112 HD11 LEU 112 -6.591 9.518 4.137 697 HD12 LEU 112 HD12 LEU 112 -8.060 9.130 3.211 698 HD13 LEU 112 HD13 LEU 112 -7.406 10.786 3.190 699 HD21 LEU 112 HD21 LEU 112 -6.751 10.915 6.198 700 HD22 LEU 112 HD22 LEU 112 -7.576 12.208 5.294 701 HD23 LEU 112 HD23 LEU 112 -8.335 11.513 6.747 702 H ASN 113 H ASN 113 -12.856 10.114 4.469 703 HA ASN 113 HA ASN 113 -14.079 12.786 4.224 704 HB2 ASN 113 HB2 ASN 113 -13.417 11.603 1.894 705 HB3 ASN 113 HB3 ASN 113 -14.592 10.490 2.636 706 HD21 ASN 113 HD21 ASN 113 -14.642 12.007 0.107 707 HD22 ASN 113 HD22 ASN 113 -16.109 12.927 0.148 708 H LEU 114 H LEU 114 -15.222 12.593 6.172 709 HA LEU 114 HA LEU 114 -16.998 10.346 6.583 710 HB2 LEU 114 HB2 LEU 114 -16.505 12.863 7.998 711 HB3 LEU 114 HB3 LEU 114 -17.658 11.695 8.685 712 HG LEU 114 HG LEU 114 -14.688 11.218 8.220 713 HD11 LEU 114 HD11 LEU 114 -14.554 11.190 10.725 714 HD12 LEU 114 HD12 LEU 114 -15.141 12.758 10.127 715 HD13 LEU 114 HD13 LEU 114 -16.288 11.579 10.807 716 HD21 LEU 114 HD21 LEU 114 -15.054 9.105 9.446 717 HD22 LEU 114 HD22 LEU 114 -16.799 9.458 9.498 718 HD23 LEU 114 HD23 LEU 114 -15.989 9.192 7.934 Start of MODEL 17 1 H1 GLY 29 H1 GLY 29 6.186 -32.122 -21.834 2 H2 GLY 29 H2 GLY 29 7.560 -31.664 -21.443 3 H3 GLY 29 H3 GLY 29 6.368 -30.807 -21.136 4 HA2 GLY 29 HA2 GLY 29 7.942 -30.649 -23.478 5 HA3 GLY 29 HA3 GLY 29 6.333 -31.185 -23.935 6 H SER 30 H SER 30 4.981 -29.614 -24.499 7 HA SER 30 HA SER 30 5.801 -26.871 -23.862 8 HB2 SER 30 HB2 SER 30 4.604 -26.193 -25.838 9 HB3 SER 30 HB3 SER 30 5.713 -27.525 -26.232 10 HG SER 30 HG SER 30 3.635 -27.798 -27.154 11 H GLU 31 H GLU 31 3.889 -25.254 -23.828 12 HA GLU 31 HA GLU 31 2.337 -26.318 -21.569 13 HB2 GLU 31 HB2 GLU 31 3.350 -23.535 -22.115 14 HB3 GLU 31 HB3 GLU 31 2.339 -24.000 -20.724 15 HG2 GLU 31 HG2 GLU 31 4.230 -25.572 -19.980 16 HG3 GLU 31 HG3 GLU 31 5.091 -24.947 -21.404 17 H GLU 32 H GLU 32 0.299 -25.012 -21.066 18 HA GLU 32 HA GLU 32 -0.847 -23.773 -23.481 19 HB2 GLU 32 HB2 GLU 32 -2.048 -25.792 -22.856 20 HB3 GLU 32 HB3 GLU 32 -2.306 -25.130 -21.224 21 HG2 GLU 32 HG2 GLU 32 -3.710 -23.268 -22.259 22 HG3 GLU 32 HG3 GLU 32 -3.333 -24.047 -23.813 23 H LYS 33 H LYS 33 -1.373 -21.635 -23.312 24 HA LYS 33 HA LYS 33 -0.341 -20.495 -20.806 25 HB2 LYS 33 HB2 LYS 33 -0.227 -19.474 -23.634 26 HB3 LYS 33 HB3 LYS 33 0.338 -18.568 -22.211 27 HG2 LYS 33 HG2 LYS 33 1.998 -20.326 -21.749 28 HG3 LYS 33 HG3 LYS 33 1.433 -21.234 -23.171 29 HD2 LYS 33 HD2 LYS 33 2.077 -19.361 -24.630 30 HD3 LYS 33 HD3 LYS 33 2.639 -18.447 -23.210 31 HE2 LYS 33 HE2 LYS 33 4.290 -20.215 -22.737 32 HE3 LYS 33 HE3 LYS 33 3.738 -21.106 -24.175 33 HZ1 LYS 33 HZ1 LYS 33 5.711 -19.815 -24.629 34 HZ2 LYS 33 HZ2 LYS 33 4.444 -19.243 -25.519 35 HZ3 LYS 33 HZ3 LYS 33 4.955 -18.418 -24.186 36 H GLU 34 H GLU 34 -1.304 -18.714 -19.860 37 HA GLU 34 HA GLU 34 -3.694 -17.614 -21.164 38 HB2 GLU 34 HB2 GLU 34 -3.471 -18.431 -18.276 39 HB3 GLU 34 HB3 GLU 34 -4.809 -17.480 -18.965 40 HG2 GLU 34 HG2 GLU 34 -5.363 -19.472 -20.471 41 HG3 GLU 34 HG3 GLU 34 -3.988 -20.266 -19.671 42 H GLU 35 H GLU 35 -4.443 -15.664 -19.553 43 HA GLU 35 HA GLU 35 -2.186 -13.845 -19.828 44 HB2 GLU 35 HB2 GLU 35 -5.117 -13.365 -19.343 45 HB3 GLU 35 HB3 GLU 35 -3.893 -12.077 -19.467 46 HG2 GLU 35 HG2 GLU 35 -3.419 -12.833 -21.858 47 HG3 GLU 35 HG3 GLU 35 -4.651 -14.079 -21.554 48 H LYS 36 H LYS 36 -4.716 -14.466 -17.385 49 HA LYS 36 HA LYS 36 -4.670 -14.244 -15.102 50 HB2 LYS 36 HB2 LYS 36 -1.997 -15.514 -15.656 51 HB3 LYS 36 HB3 LYS 36 -2.760 -15.417 -14.050 52 HG2 LYS 36 HG2 LYS 36 -4.667 -16.750 -14.893 53 HG3 LYS 36 HG3 LYS 36 -3.862 -16.877 -16.475 54 HD2 LYS 36 HD2 LYS 36 -1.953 -18.020 -15.402 55 HD3 LYS 36 HD3 LYS 36 -2.783 -17.914 -13.832 56 HE2 LYS 36 HE2 LYS 36 -4.623 -19.277 -14.689 57 HE3 LYS 36 HE3 LYS 36 -3.842 -19.351 -16.286 58 HZ1 LYS 36 HZ1 LYS 36 -3.421 -21.333 -14.998 59 HZ2 LYS 36 HZ2 LYS 36 -2.009 -20.521 -15.262 60 HZ3 LYS 36 HZ3 LYS 36 -2.734 -20.452 -13.784 61 H LYS 37 H LYS 37 -4.497 -11.822 -15.490 62 HA LYS 37 HA LYS 37 -1.832 -10.785 -14.775 63 HB2 LYS 37 HB2 LYS 37 -2.336 -10.483 -17.145 64 HB3 LYS 37 HB3 LYS 37 -3.818 -9.600 -16.705 65 HG2 LYS 37 HG2 LYS 37 -2.461 -7.851 -15.628 66 HG3 LYS 37 HG3 LYS 37 -0.978 -8.734 -16.064 67 HD2 LYS 37 HD2 LYS 37 -1.523 -8.489 -18.449 68 HD3 LYS 37 HD3 LYS 37 -3.016 -7.621 -18.022 69 HE2 LYS 37 HE2 LYS 37 -1.746 -5.825 -17.014 70 HE3 LYS 37 HE3 LYS 37 -0.225 -6.712 -17.264 71 HZ1 LYS 37 HZ1 LYS 37 -0.558 -5.028 -18.943 72 HZ2 LYS 37 HZ2 LYS 37 -0.582 -6.528 -19.632 73 HZ3 LYS 37 HZ3 LYS 37 -1.992 -5.704 -19.399 74 H VAL 38 H VAL 38 -1.723 -9.205 -13.265 75 HA VAL 38 HA VAL 38 -4.190 -8.486 -11.889 76 HB VAL 38 HB VAL 38 -2.727 -7.497 -10.161 77 HG11 VAL 38 HG11 VAL 38 -1.681 -9.604 -9.402 78 HG12 VAL 38 HG12 VAL 38 -3.319 -9.893 -10.035 79 HG13 VAL 38 HG13 VAL 38 -1.897 -10.297 -11.027 80 HG21 VAL 38 HG21 VAL 38 -0.302 -7.767 -10.301 81 HG22 VAL 38 HG22 VAL 38 -0.469 -8.395 -11.959 82 HG23 VAL 38 HG23 VAL 38 -0.933 -6.716 -11.590 83 H ARG 39 H ARG 39 -3.916 -6.086 -10.896 84 HA ARG 39 HA ARG 39 -4.233 -4.400 -13.221 85 HB2 ARG 39 HB2 ARG 39 -4.626 -3.720 -10.353 86 HB3 ARG 39 HB3 ARG 39 -5.030 -2.705 -11.757 87 HG2 ARG 39 HG2 ARG 39 -6.246 -5.413 -11.125 88 HG3 ARG 39 HG3 ARG 39 -7.012 -3.837 -10.809 89 HD2 ARG 39 HD2 ARG 39 -6.284 -4.979 -13.487 90 HD3 ARG 39 HD3 ARG 39 -7.912 -4.859 -12.779 91 HE ARG 39 HE ARG 39 -6.476 -2.579 -14.053 92 HH11 ARG 39 HH11 ARG 39 -9.154 -3.578 -12.056 93 HH12 ARG 39 HH12 ARG 39 -9.959 -2.053 -12.362 94 HH21 ARG 39 HH21 ARG 39 -7.390 -0.830 -14.419 95 HH22 ARG 39 HH22 ARG 39 -8.954 -0.484 -13.710 96 H GLU 40 H GLU 40 -3.189 -2.299 -13.440 97 HA GLU 40 HA GLU 40 -0.353 -2.848 -13.137 98 HB2 GLU 40 HB2 GLU 40 0.011 -1.255 -14.863 99 HB3 GLU 40 HB3 GLU 40 -1.305 -2.356 -15.338 100 HG2 GLU 40 HG2 GLU 40 -2.970 -0.514 -14.675 101 HG3 GLU 40 HG3 GLU 40 -1.516 0.442 -14.308 102 H LEU 41 H LEU 41 0.988 -0.633 -13.108 103 HA LEU 41 HA LEU 41 0.241 0.551 -10.529 104 HB2 LEU 41 HB2 LEU 41 2.696 -0.074 -11.926 105 HB3 LEU 41 HB3 LEU 41 2.855 1.227 -10.724 106 HG LEU 41 HG LEU 41 2.048 -0.307 -8.965 107 HD11 LEU 41 HD11 LEU 41 1.867 -2.757 -9.478 108 HD12 LEU 41 HD12 LEU 41 0.692 -1.810 -10.421 109 HD13 LEU 41 HD13 LEU 41 2.182 -2.405 -11.193 110 HD21 LEU 41 HD21 LEU 41 4.056 -1.741 -8.839 111 HD22 LEU 41 HD22 LEU 41 4.412 -1.363 -10.542 112 HD23 LEU 41 HD23 LEU 41 4.435 -0.070 -9.320 113 H THR 42 H THR 42 -1.001 2.291 -11.083 114 HA THR 42 HA THR 42 0.217 4.300 -12.855 115 HB THR 42 HB THR 42 -1.988 5.295 -13.112 116 HG1 THR 42 HG1 THR 42 -3.789 4.200 -12.097 117 HG21 THR 42 HG21 THR 42 -3.141 3.435 -14.256 118 HG22 THR 42 HG22 THR 42 -1.396 3.419 -14.607 119 HG23 THR 42 HG23 THR 42 -2.079 2.269 -13.432 120 HA PRO 43 HA PRO 43 0.875 7.212 -9.570 121 HB2 PRO 43 HB2 PRO 43 0.081 9.544 -10.787 122 HB3 PRO 43 HB3 PRO 43 1.643 8.765 -11.074 123 HG2 PRO 43 HG2 PRO 43 -0.909 8.581 -12.708 124 HG3 PRO 43 HG3 PRO 43 0.754 8.812 -13.266 125 HD2 PRO 43 HD2 PRO 43 -0.398 6.354 -13.379 126 HD3 PRO 43 HD3 PRO 43 1.314 6.511 -12.967 127 H GLN 44 H GLN 44 -2.240 7.082 -11.205 128 HA GLN 44 HA GLN 44 -3.693 8.528 -9.236 129 HB2 GLN 44 HB2 GLN 44 -4.469 8.194 -11.539 130 HB3 GLN 44 HB3 GLN 44 -4.657 6.456 -11.204 131 HG2 GLN 44 HG2 GLN 44 -7.021 7.457 -10.853 132 HG3 GLN 44 HG3 GLN 44 -6.048 7.017 -9.431 133 HE21 GLN 44 HE21 GLN 44 -7.280 8.392 -8.097 134 HE22 GLN 44 HE22 GLN 44 -7.097 10.115 -8.152 135 H GLU 45 H GLU 45 -3.134 5.073 -9.808 136 HA GLU 45 HA GLU 45 -4.723 4.256 -7.568 137 HB2 GLU 45 HB2 GLU 45 -2.784 2.811 -9.350 138 HB3 GLU 45 HB3 GLU 45 -3.617 2.025 -7.987 139 HG2 GLU 45 HG2 GLU 45 -5.844 2.581 -9.108 140 HG3 GLU 45 HG3 GLU 45 -4.848 3.331 -10.377 141 H LEU 46 H LEU 46 -1.367 5.016 -8.118 142 HA LEU 46 HA LEU 46 -0.407 3.891 -5.668 143 HB2 LEU 46 HB2 LEU 46 0.539 5.392 -7.885 144 HB3 LEU 46 HB3 LEU 46 1.488 5.804 -6.440 145 HG LEU 46 HG LEU 46 2.211 3.534 -6.165 146 HD11 LEU 46 HD11 LEU 46 1.452 1.715 -7.717 147 HD12 LEU 46 HD12 LEU 46 0.082 2.420 -6.829 148 HD13 LEU 46 HD13 LEU 46 0.372 2.875 -8.525 149 HD21 LEU 46 HD21 LEU 46 3.433 3.127 -8.273 150 HD22 LEU 46 HD22 LEU 46 2.392 4.320 -9.087 151 HD23 LEU 46 HD23 LEU 46 3.476 4.835 -7.773 152 H GLU 47 H GLU 47 -1.554 7.045 -6.710 153 HA GLU 47 HA GLU 47 -0.799 8.474 -4.385 154 HB2 GLU 47 HB2 GLU 47 -2.712 8.921 -6.622 155 HB3 GLU 47 HB3 GLU 47 -2.812 9.953 -5.175 156 HG2 GLU 47 HG2 GLU 47 -0.404 10.653 -5.552 157 HG3 GLU 47 HG3 GLU 47 -0.423 9.515 -6.916 158 H LEU 48 H LEU 48 -3.905 7.032 -5.370 159 HA LEU 48 HA LEU 48 -5.397 7.852 -3.170 160 HB2 LEU 48 HB2 LEU 48 -7.046 6.376 -3.876 161 HB3 LEU 48 HB3 LEU 48 -6.163 6.759 -5.353 162 HG LEU 48 HG LEU 48 -4.877 4.561 -4.862 163 HD11 LEU 48 HD11 LEU 48 -5.487 3.766 -2.828 164 HD12 LEU 48 HD12 LEU 48 -6.743 2.990 -3.794 165 HD13 LEU 48 HD13 LEU 48 -7.102 4.474 -2.911 166 HD21 LEU 48 HD21 LEU 48 -7.748 4.195 -5.637 167 HD22 LEU 48 HD22 LEU 48 -6.308 3.413 -6.292 168 HD23 LEU 48 HD23 LEU 48 -6.637 5.108 -6.659 169 H PHE 49 H PHE 49 -3.079 5.296 -3.473 170 HA PHE 49 HA PHE 49 -3.800 3.851 -1.134 171 HB2 PHE 49 HB2 PHE 49 -2.406 2.803 -2.849 172 HB3 PHE 49 HB3 PHE 49 -1.134 4.017 -2.581 173 HD1 PHE 49 HD1 PHE 49 -2.982 1.229 -0.983 174 HD2 PHE 49 HD2 PHE 49 0.486 3.725 -0.950 175 HE1 PHE 49 HE1 PHE 49 -1.947 -0.234 0.720 176 HE2 PHE 49 HE2 PHE 49 1.525 2.263 0.751 177 HZ PHE 49 HZ PHE 49 0.307 0.284 1.587 178 H LYS 50 H LYS 50 -1.100 6.107 -1.730 179 HA LYS 50 HA LYS 50 -0.417 6.331 1.016 180 HB2 LYS 50 HB2 LYS 50 1.115 8.009 0.378 181 HB3 LYS 50 HB3 LYS 50 1.133 6.732 -0.862 182 HG2 LYS 50 HG2 LYS 50 -0.237 8.112 -2.342 183 HG3 LYS 50 HG3 LYS 50 -0.341 9.377 -1.095 184 HD2 LYS 50 HD2 LYS 50 2.129 9.624 -1.179 185 HD3 LYS 50 HD3 LYS 50 2.182 8.417 -2.486 186 HE2 LYS 50 HE2 LYS 50 0.747 9.867 -3.871 187 HE3 LYS 50 HE3 LYS 50 0.726 11.078 -2.570 188 HZ1 LYS 50 HZ1 LYS 50 2.357 11.608 -4.251 189 HZ2 LYS 50 HZ2 LYS 50 3.106 11.291 -2.815 190 HZ3 LYS 50 HZ3 LYS 50 3.126 10.167 -4.023 191 H ARG 51 H ARG 51 -2.555 8.111 -1.110 192 HA ARG 51 HA ARG 51 -3.062 10.313 0.576 193 HB2 ARG 51 HB2 ARG 51 -4.679 9.081 -1.580 194 HB3 ARG 51 HB3 ARG 51 -5.225 10.481 -0.629 195 HG2 ARG 51 HG2 ARG 51 -3.260 11.755 -1.366 196 HG3 ARG 51 HG3 ARG 51 -2.704 10.353 -2.311 197 HD2 ARG 51 HD2 ARG 51 -4.746 10.509 -3.657 198 HD3 ARG 51 HD3 ARG 51 -5.180 11.983 -2.761 199 HE ARG 51 HE ARG 51 -3.171 11.900 -4.937 200 HH11 ARG 51 HH11 ARG 51 -4.280 13.665 -2.141 201 HH12 ARG 51 HH12 ARG 51 -3.479 15.109 -2.728 202 HH21 ARG 51 HH21 ARG 51 -2.257 13.548 -5.627 203 HH22 ARG 51 HH22 ARG 51 -2.326 15.044 -4.716 204 H ALA 52 H ALA 52 -4.771 7.214 0.199 205 HA ALA 52 HA ALA 52 -6.620 7.661 2.297 206 HB1 ALA 52 HB1 ALA 52 -6.956 5.995 0.515 207 HB2 ALA 52 HB2 ALA 52 -5.648 5.027 1.197 208 HB3 ALA 52 HB3 ALA 52 -7.121 5.301 2.126 209 H MET 53 H MET 53 -3.406 6.219 2.172 210 HA MET 53 HA MET 53 -3.482 5.104 4.784 211 HB2 MET 53 HB2 MET 53 -1.992 4.364 2.957 212 HB3 MET 53 HB3 MET 53 -1.081 5.882 3.141 213 HG2 MET 53 HG2 MET 53 0.088 4.072 4.265 214 HG3 MET 53 HG3 MET 53 -0.517 5.249 5.457 215 HE1 MET 53 HE1 MET 53 -2.186 0.991 4.745 216 HE2 MET 53 HE2 MET 53 -2.224 2.243 3.480 217 HE3 MET 53 HE3 MET 53 -0.664 1.624 4.075 218 H GLY 54 H GLY 54 -2.833 8.265 3.547 219 HA2 GLY 54 HA2 GLY 54 -2.624 10.250 4.732 220 HA3 GLY 54 HA3 GLY 54 -2.608 9.322 6.224 221 H ILE 55 H ILE 55 -0.440 8.767 3.514 222 HA ILE 55 HA ILE 55 1.803 8.802 5.294 223 HB ILE 55 HB ILE 55 1.653 8.462 2.283 224 HG12 ILE 55 HG12 ILE 55 2.191 6.452 4.452 225 HG13 ILE 55 HG13 ILE 55 0.599 6.743 3.712 226 HG21 ILE 55 HG21 ILE 55 3.991 7.678 2.451 227 HG22 ILE 55 HG22 ILE 55 3.848 9.376 2.959 228 HG23 ILE 55 HG23 ILE 55 4.006 8.092 4.181 229 HD11 ILE 55 HD11 ILE 55 1.708 4.790 2.697 230 HD12 ILE 55 HD12 ILE 55 1.505 6.102 1.511 231 HD13 ILE 55 HD13 ILE 55 3.096 5.810 2.252 232 H THR 56 H THR 56 3.106 10.443 5.763 233 HA THR 56 HA THR 56 2.689 12.975 4.355 234 HB THR 56 HB THR 56 3.709 14.075 6.257 235 HG1 THR 56 HG1 THR 56 4.214 11.416 7.181 236 HG21 THR 56 HG21 THR 56 2.143 13.394 8.041 237 HG22 THR 56 HG22 THR 56 1.326 13.456 6.461 238 HG23 THR 56 HG23 THR 56 1.794 11.888 7.159 239 HA PRO 57 HA PRO 57 6.671 13.155 2.426 240 HB2 PRO 57 HB2 PRO 57 7.408 15.754 2.910 241 HB3 PRO 57 HB3 PRO 57 6.236 15.278 1.673 242 HG2 PRO 57 HG2 PRO 57 5.729 16.265 4.501 243 HG3 PRO 57 HG3 PRO 57 4.937 16.754 2.996 244 HD2 PRO 57 HD2 PRO 57 3.727 14.979 4.649 245 HD3 PRO 57 HD3 PRO 57 3.607 14.769 2.895 246 H HIS 58 H HIS 58 6.271 13.874 5.795 247 HA HIS 58 HA HIS 58 9.008 13.954 6.525 248 HB2 HIS 58 HB2 HIS 58 7.304 14.782 8.071 249 HB3 HIS 58 HB3 HIS 58 6.576 13.161 8.170 250 HD1 HIS 58 HD1 HIS 58 9.824 14.947 9.036 251 HD2 HIS 58 HD2 HIS 58 7.578 11.615 10.303 252 HE1 HIS 58 HE1 HIS 58 11.000 14.041 10.975 253 H ASN 59 H ASN 59 6.624 11.323 6.413 254 HA ASN 59 HA ASN 59 8.838 9.408 6.739 255 HB2 ASN 59 HB2 ASN 59 7.242 7.841 7.902 256 HB3 ASN 59 HB3 ASN 59 7.306 9.557 8.372 257 HD21 ASN 59 HD21 ASN 59 5.224 7.836 9.046 258 HD22 ASN 59 HD22 ASN 59 3.781 8.372 8.250 259 H TYR 60 H TYR 60 7.687 10.745 4.278 260 HA TYR 60 HA TYR 60 6.417 8.764 2.713 261 HB2 TYR 60 HB2 TYR 60 6.381 11.115 2.123 262 HB3 TYR 60 HB3 TYR 60 8.145 11.086 1.876 263 HD1 TYR 60 HD1 TYR 60 4.934 9.691 0.588 264 HD2 TYR 60 HD2 TYR 60 9.054 10.443 -0.211 265 HE1 TYR 60 HE1 TYR 60 4.586 9.037 -1.776 266 HE2 TYR 60 HE2 TYR 60 8.725 9.793 -2.573 267 HH TYR 60 HH TYR 60 7.248 9.072 -4.150 268 H TRP 61 H TRP 61 9.823 9.675 3.104 269 HA TRP 61 HA TRP 61 10.870 7.713 1.357 270 HB2 TRP 61 HB2 TRP 61 13.036 8.186 2.389 271 HB3 TRP 61 HB3 TRP 61 12.152 9.714 2.163 272 HD1 TRP 61 HD1 TRP 61 11.417 10.960 4.193 273 HE1 TRP 61 HE1 TRP 61 12.095 10.868 6.809 274 HE3 TRP 61 HE3 TRP 61 13.697 6.417 4.199 275 HZ2 TRP 61 HZ2 TRP 61 13.393 9.055 8.440 276 HZ3 TRP 61 HZ3 TRP 61 14.635 5.532 6.243 277 HH2 TRP 61 HH2 TRP 61 14.516 6.777 8.359 278 H GLN 62 H GLN 62 9.957 7.673 4.743 279 HA GLN 62 HA GLN 62 11.111 5.178 5.405 280 HB2 GLN 62 HB2 GLN 62 10.370 6.823 7.057 281 HB3 GLN 62 HB3 GLN 62 8.684 6.529 6.569 282 HG2 GLN 62 HG2 GLN 62 9.032 5.026 8.648 283 HG3 GLN 62 HG3 GLN 62 9.020 4.275 7.035 284 HE21 GLN 62 HE21 GLN 62 10.145 2.452 7.782 285 HE22 GLN 62 HE22 GLN 62 11.834 2.511 8.165 286 H TRP 63 H TRP 63 7.926 6.099 4.173 287 HA TRP 63 HA TRP 63 6.915 3.424 4.146 288 HB2 TRP 63 HB2 TRP 63 5.985 6.082 3.205 289 HB3 TRP 63 HB3 TRP 63 5.294 4.671 2.408 290 HD1 TRP 63 HD1 TRP 63 5.265 6.560 5.704 291 HE1 TRP 63 HE1 TRP 63 3.414 5.594 7.207 292 HE3 TRP 63 HE3 TRP 63 4.012 2.460 2.918 293 HZ2 TRP 63 HZ2 TRP 63 1.654 3.387 7.211 294 HZ3 TRP 63 HZ3 TRP 63 2.236 0.973 3.743 295 HH2 TRP 63 HH2 TRP 63 1.082 1.428 5.845 296 H ALA 64 H ALA 64 8.523 5.518 1.825 297 HA ALA 64 HA ALA 64 8.100 4.054 -0.508 298 HB1 ALA 64 HB1 ALA 64 10.062 6.055 0.404 299 HB2 ALA 64 HB2 ALA 64 10.560 5.048 -0.955 300 HB3 ALA 64 HB3 ALA 64 9.083 6.006 -1.063 301 H SER 65 H SER 65 10.428 3.595 2.089 302 HA SER 65 HA SER 65 12.090 1.778 0.659 303 HB2 SER 65 HB2 SER 65 13.216 1.409 2.746 304 HB3 SER 65 HB3 SER 65 12.867 3.143 2.556 305 HG SER 65 HG SER 65 12.372 2.361 4.651 306 H ARG 66 H ARG 66 9.238 1.453 2.630 307 HA ARG 66 HA ARG 66 9.563 -1.426 2.891 308 HB2 ARG 66 HB2 ARG 66 7.723 -1.477 4.295 309 HB3 ARG 66 HB3 ARG 66 8.821 -0.169 4.791 310 HG2 ARG 66 HG2 ARG 66 7.336 1.501 4.163 311 HG3 ARG 66 HG3 ARG 66 6.465 0.440 3.029 312 HD2 ARG 66 HD2 ARG 66 5.163 1.052 4.997 313 HD3 ARG 66 HD3 ARG 66 5.416 -0.701 4.836 314 HE ARG 66 HE ARG 66 6.749 -0.591 6.934 315 HH11 ARG 66 HH11 ARG 66 5.823 2.600 5.877 316 HH12 ARG 66 HH12 ARG 66 6.237 3.249 7.452 317 HH21 ARG 66 HH21 ARG 66 7.236 0.137 8.740 318 HH22 ARG 66 HH22 ARG 66 7.043 1.846 9.086 319 H THR 67 H THR 67 7.745 0.896 1.035 320 HA THR 67 HA THR 67 5.921 -1.113 -0.001 321 HB THR 67 HB THR 67 4.942 0.748 -1.320 322 HG1 THR 67 HG1 THR 67 6.945 2.295 0.015 323 HG21 THR 67 HG21 THR 67 4.072 2.028 0.605 324 HG22 THR 67 HG22 THR 67 4.131 0.287 0.968 325 HG23 THR 67 HG23 THR 67 5.374 1.375 1.628 326 H ASN 68 H ASN 68 8.994 -0.736 -0.567 327 HA ASN 68 HA ASN 68 10.441 -0.904 -2.323 328 HB2 ASN 68 HB2 ASN 68 8.968 -3.205 -2.544 329 HB3 ASN 68 HB3 ASN 68 8.301 -2.073 -3.746 330 HD21 ASN 68 HD21 ASN 68 8.975 -4.094 -4.996 331 HD22 ASN 68 HD22 ASN 68 10.549 -4.038 -5.719 332 H ASN 69 H ASN 69 9.543 1.548 -2.397 333 HA ASN 69 HA ASN 69 9.265 3.373 -3.728 334 HB2 ASN 69 HB2 ASN 69 10.818 1.833 -5.459 335 HB3 ASN 69 HB3 ASN 69 9.129 1.769 -6.020 336 HD21 ASN 69 HD21 ASN 69 10.125 2.717 -7.946 337 HD22 ASN 69 HD22 ASN 69 10.282 4.439 -8.025 338 H PHE 70 H PHE 70 7.006 1.892 -2.782 339 HA PHE 70 HA PHE 70 4.744 1.755 -3.029 340 HB2 PHE 70 HB2 PHE 70 5.284 4.194 -4.756 341 HB3 PHE 70 HB3 PHE 70 3.675 3.694 -4.190 342 HD1 PHE 70 HD1 PHE 70 3.196 3.669 -1.748 343 HD2 PHE 70 HD2 PHE 70 6.729 5.415 -3.398 344 HE1 PHE 70 HE1 PHE 70 3.521 4.967 0.331 345 HE2 PHE 70 HE2 PHE 70 7.060 6.714 -1.320 346 HZ PHE 70 HZ PHE 70 5.455 6.490 0.544 347 H LYS 71 H LYS 71 6.350 0.170 -4.858 348 HA LYS 71 HA LYS 71 4.772 0.033 -7.281 349 HB2 LYS 71 HB2 LYS 71 6.798 -1.908 -6.194 350 HB3 LYS 71 HB3 LYS 71 6.098 -1.912 -7.830 351 HG2 LYS 71 HG2 LYS 71 7.732 0.386 -6.714 352 HG3 LYS 71 HG3 LYS 71 8.442 -0.959 -7.638 353 HD2 LYS 71 HD2 LYS 71 6.167 0.757 -8.676 354 HD3 LYS 71 HD3 LYS 71 7.882 1.136 -8.968 355 HE2 LYS 71 HE2 LYS 71 6.631 -1.530 -9.669 356 HE3 LYS 71 HE3 LYS 71 6.687 -0.159 -10.800 357 HZ1 LYS 71 HZ1 LYS 71 8.537 -1.656 -11.126 358 HZ2 LYS 71 HZ2 LYS 71 9.082 -0.186 -10.615 359 HZ3 LYS 71 HZ3 LYS 71 9.030 -1.457 -9.564 360 H LEU 72 H LEU 72 2.687 -0.559 -6.932 361 HA LEU 72 HA LEU 72 2.193 -2.695 -4.964 362 HB2 LEU 72 HB2 LEU 72 0.582 -0.346 -5.678 363 HB3 LEU 72 HB3 LEU 72 0.024 -1.493 -4.439 364 HG LEU 72 HG LEU 72 2.527 0.228 -4.252 365 HD11 LEU 72 HD11 LEU 72 1.252 1.488 -2.496 366 HD12 LEU 72 HD12 LEU 72 0.437 1.579 -4.077 367 HD13 LEU 72 HD13 LEU 72 -0.172 0.472 -2.823 368 HD21 LEU 72 HD21 LEU 72 2.592 -0.530 -1.902 369 HD22 LEU 72 HD22 LEU 72 1.197 -1.589 -2.223 370 HD23 LEU 72 HD23 LEU 72 2.740 -1.872 -3.061 371 H LEU 73 H LEU 73 0.991 -4.385 -5.587 372 HA LEU 73 HA LEU 73 -0.373 -4.211 -8.193 373 HB2 LEU 73 HB2 LEU 73 0.862 -6.448 -6.756 374 HB3 LEU 73 HB3 LEU 73 -0.038 -6.766 -8.257 375 HG LEU 73 HG LEU 73 2.396 -4.953 -8.084 376 HD11 LEU 73 HD11 LEU 73 3.659 -6.845 -9.140 377 HD12 LEU 73 HD12 LEU 73 3.031 -7.301 -7.540 378 HD13 LEU 73 HD13 LEU 73 2.208 -7.865 -9.014 379 HD21 LEU 73 HD21 LEU 73 2.416 -5.199 -10.542 380 HD22 LEU 73 HD22 LEU 73 0.935 -6.183 -10.438 381 HD23 LEU 73 HD23 LEU 73 0.906 -4.476 -9.937 382 H THR 74 H THR 74 -2.392 -5.257 -8.431 383 HA THR 74 HA THR 74 -3.581 -6.759 -6.324 384 HB THR 74 HB THR 74 -3.887 -4.509 -5.351 385 HG1 THR 74 HG1 THR 74 -5.492 -6.149 -5.033 386 HG21 THR 74 HG21 THR 74 -5.423 -2.922 -6.455 387 HG22 THR 74 HG22 THR 74 -3.987 -3.229 -7.462 388 HG23 THR 74 HG23 THR 74 -5.537 -4.008 -7.860 389 H ASP 75 H ASP 75 -5.600 -7.684 -6.922 390 HA ASP 75 HA ASP 75 -6.849 -6.860 -9.400 391 HB2 ASP 75 HB2 ASP 75 -5.060 -8.575 -10.115 392 HB3 ASP 75 HB3 ASP 75 -5.943 -9.626 -8.980 393 H GLY 76 H GLY 76 -8.734 -6.422 -8.343 394 HA2 GLY 76 HA2 GLY 76 -10.691 -6.781 -7.197 395 HA3 GLY 76 HA3 GLY 76 -10.577 -8.430 -7.796 396 H GLU 77 H GLU 77 -8.027 -7.215 -5.802 397 HA GLU 77 HA GLU 77 -9.088 -8.628 -3.467 398 HB2 GLU 77 HB2 GLU 77 -6.481 -9.246 -4.834 399 HB3 GLU 77 HB3 GLU 77 -6.890 -9.774 -3.184 400 HG2 GLU 77 HG2 GLU 77 -8.844 -11.097 -4.146 401 HG3 GLU 77 HG3 GLU 77 -8.328 -10.445 -5.718 402 H TRP 78 H TRP 78 -7.252 -8.486 -1.661 403 HA TRP 78 HA TRP 78 -6.767 -5.819 -1.001 404 HB2 TRP 78 HB2 TRP 78 -5.396 -6.638 0.771 405 HB3 TRP 78 HB3 TRP 78 -6.687 -7.815 0.547 406 HD1 TRP 78 HD1 TRP 78 -5.027 -9.028 -2.141 407 HE1 TRP 78 HE1 TRP 78 -3.152 -10.713 -1.621 408 HE3 TRP 78 HE3 TRP 78 -4.261 -7.897 2.787 409 HZ2 TRP 78 HZ2 TRP 78 -1.559 -11.464 0.585 410 HZ3 TRP 78 HZ3 TRP 78 -2.542 -9.145 4.029 411 HH2 TRP 78 HH2 TRP 78 -1.221 -10.892 2.949 412 H VAL 79 H VAL 79 -4.828 -4.588 -0.968 413 HA VAL 79 HA VAL 79 -3.215 -4.990 -3.349 414 HB VAL 79 HB VAL 79 -3.267 -2.704 -1.356 415 HG11 VAL 79 HG11 VAL 79 -1.904 -1.497 -3.030 416 HG12 VAL 79 HG12 VAL 79 -1.049 -2.935 -2.424 417 HG13 VAL 79 HG13 VAL 79 -1.825 -2.969 -4.026 418 HG21 VAL 79 HG21 VAL 79 -4.368 -1.472 -3.156 419 HG22 VAL 79 HG22 VAL 79 -4.377 -2.943 -4.157 420 HG23 VAL 79 HG23 VAL 79 -5.311 -2.890 -2.643 421 H TRP 80 H TRP 80 -1.127 -5.594 -3.401 422 HA TRP 80 HA TRP 80 0.329 -5.769 -0.850 423 HB2 TRP 80 HB2 TRP 80 1.331 -7.895 -1.540 424 HB3 TRP 80 HB3 TRP 80 -0.443 -8.034 -1.587 425 HD1 TRP 80 HD1 TRP 80 2.570 -7.896 -3.734 426 HE1 TRP 80 HE1 TRP 80 1.957 -8.790 -6.209 427 HE3 TRP 80 HE3 TRP 80 -2.469 -8.231 -3.162 428 HZ2 TRP 80 HZ2 TRP 80 -0.370 -9.481 -7.530 429 HZ3 TRP 80 HZ3 TRP 80 -3.851 -8.991 -4.995 430 HH2 TRP 80 HH2 TRP 80 -2.881 -9.622 -7.163 431 H VAL 81 H VAL 81 2.686 -5.774 -1.087 432 HA VAL 81 HA VAL 81 3.484 -3.856 -3.118 433 HB VAL 81 HB VAL 81 5.043 -4.997 -0.780 434 HG11 VAL 81 HG11 VAL 81 6.624 -3.151 -1.231 435 HG12 VAL 81 HG12 VAL 81 6.515 -4.256 -2.621 436 HG13 VAL 81 HG13 VAL 81 5.675 -2.688 -2.662 437 HG21 VAL 81 HG21 VAL 81 4.679 -2.810 0.246 438 HG22 VAL 81 HG22 VAL 81 3.659 -2.334 -1.133 439 HG23 VAL 81 HG23 VAL 81 3.150 -3.665 -0.065 440 H GLU 82 H GLU 82 4.520 -4.362 -4.931 441 HA GLU 82 HA GLU 82 5.103 -6.941 -5.775 442 HB2 GLU 82 HB2 GLU 82 4.874 -5.023 -7.262 443 HB3 GLU 82 HB3 GLU 82 6.411 -4.370 -6.642 444 HG2 GLU 82 HG2 GLU 82 7.604 -6.408 -7.607 445 HG3 GLU 82 HG3 GLU 82 5.986 -6.928 -8.129 446 H GLY 83 H GLY 83 6.677 -8.345 -5.339 447 HA2 GLY 83 HA2 GLY 83 8.977 -8.923 -5.085 448 HA3 GLY 83 HA3 GLY 83 9.272 -7.329 -4.406 449 H TYR 84 H TYR 84 6.702 -7.795 -2.777 450 HA TYR 84 HA TYR 84 7.995 -9.405 -0.677 451 HB2 TYR 84 HB2 TYR 84 6.079 -7.095 -0.519 452 HB3 TYR 84 HB3 TYR 84 6.437 -8.155 0.867 453 HD1 TYR 84 HD1 TYR 84 8.806 -8.265 1.730 454 HD2 TYR 84 HD2 TYR 84 7.575 -5.349 -1.128 455 HE1 TYR 84 HE1 TYR 84 10.808 -6.917 2.260 456 HE2 TYR 84 HE2 TYR 84 9.577 -3.984 -0.609 457 HH TYR 84 HH TYR 84 11.469 -3.804 0.635 458 H GLU 85 H GLU 85 6.102 -10.138 -2.972 459 HA GLU 85 HA GLU 85 3.661 -11.003 -1.900 460 HB2 GLU 85 HB2 GLU 85 5.343 -12.096 -4.139 461 HB3 GLU 85 HB3 GLU 85 3.720 -12.708 -3.738 462 HG2 GLU 85 HG2 GLU 85 2.742 -10.454 -4.279 463 HG3 GLU 85 HG3 GLU 85 4.420 -9.896 -4.477 464 H GLU 86 H GLU 86 6.865 -12.182 -1.485 465 HA GLU 86 HA GLU 86 5.954 -14.739 -0.415 466 HB2 GLU 86 HB2 GLU 86 8.284 -15.298 -0.176 467 HB3 GLU 86 HB3 GLU 86 7.918 -14.735 -1.826 468 HG2 GLU 86 HG2 GLU 86 8.896 -12.441 -1.133 469 HG3 GLU 86 HG3 GLU 86 9.277 -13.270 0.393 470 H HIS 87 H HIS 87 6.059 -11.694 0.709 471 HA HIS 87 HA HIS 87 6.784 -12.528 3.441 472 HB2 HIS 87 HB2 HIS 87 6.816 -9.752 2.239 473 HB3 HIS 87 HB3 HIS 87 7.214 -10.143 3.909 474 HD1 HIS 87 HD1 HIS 87 9.594 -10.712 4.383 475 HD2 HIS 87 HD2 HIS 87 8.705 -10.908 0.329 476 HE1 HIS 87 HE1 HIS 87 11.795 -11.099 3.230 477 H ILE 88 H ILE 88 4.181 -12.267 1.615 478 HA ILE 88 HA ILE 88 2.543 -10.899 3.644 479 HB ILE 88 HB ILE 88 0.817 -10.650 1.860 480 HG12 ILE 88 HG12 ILE 88 2.987 -11.637 0.027 481 HG13 ILE 88 HG13 ILE 88 1.578 -12.587 0.553 482 HG21 ILE 88 HG21 ILE 88 2.004 -8.881 0.607 483 HG22 ILE 88 HG22 ILE 88 2.408 -8.821 2.339 484 HG23 ILE 88 HG23 ILE 88 3.562 -9.520 1.180 485 HD11 ILE 88 HD11 ILE 88 1.220 -11.634 -1.691 486 HD12 ILE 88 HD12 ILE 88 0.075 -10.950 -0.512 487 HD13 ILE 88 HD13 ILE 88 1.484 -10.001 -1.039 488 H GLY 89 H GLY 89 0.354 -11.782 3.985 489 HA2 GLY 89 HA2 GLY 89 -1.044 -13.563 4.485 490 HA3 GLY 89 HA3 GLY 89 -0.045 -14.591 3.469 491 H LYS 90 H LYS 90 1.793 -12.860 5.702 492 HA LYS 90 HA LYS 90 2.063 -15.276 7.353 493 HB2 LYS 90 HB2 LYS 90 3.940 -12.971 6.883 494 HB3 LYS 90 HB3 LYS 90 4.231 -14.281 8.052 495 HG2 LYS 90 HG2 LYS 90 4.281 -15.925 6.255 496 HG3 LYS 90 HG3 LYS 90 3.881 -14.666 5.060 497 HD2 LYS 90 HD2 LYS 90 5.977 -13.573 5.368 498 HD3 LYS 90 HD3 LYS 90 6.343 -14.536 6.819 499 HE2 LYS 90 HE2 LYS 90 6.460 -16.569 5.442 500 HE3 LYS 90 HE3 LYS 90 6.094 -15.608 3.991 501 HZ1 LYS 90 HZ1 LYS 90 8.450 -16.010 4.218 502 HZ2 LYS 90 HZ2 LYS 90 8.136 -14.396 4.357 503 HZ3 LYS 90 HZ3 LYS 90 8.475 -15.288 5.701 504 H GLN 91 H GLN 91 2.678 -14.861 9.671 505 HA GLN 91 HA GLN 91 0.756 -13.037 10.828 506 HB2 GLN 91 HB2 GLN 91 1.487 -13.990 12.977 507 HB3 GLN 91 HB3 GLN 91 0.906 -15.194 11.803 508 HG2 GLN 91 HG2 GLN 91 3.993 -14.804 12.202 509 HG3 GLN 91 HG3 GLN 91 2.785 -15.641 13.206 510 HE21 GLN 91 HE21 GLN 91 3.697 -17.672 12.790 511 HE22 GLN 91 HE22 GLN 91 3.537 -18.455 11.253 512 H LEU 92 H LEU 92 2.282 -11.340 9.644 513 HA LEU 92 HA LEU 92 4.492 -10.550 11.395 514 HB2 LEU 92 HB2 LEU 92 3.580 -9.608 8.769 515 HB3 LEU 92 HB3 LEU 92 5.063 -8.947 9.496 516 HG LEU 92 HG LEU 92 4.593 -11.809 8.579 517 HD11 LEU 92 HD11 LEU 92 6.429 -11.291 6.950 518 HD12 LEU 92 HD12 LEU 92 5.045 -10.194 6.734 519 HD13 LEU 92 HD13 LEU 92 6.503 -9.631 7.585 520 HD21 LEU 92 HD21 LEU 92 6.947 -12.209 9.210 521 HD22 LEU 92 HD22 LEU 92 7.025 -10.566 9.894 522 HD23 LEU 92 HD23 LEU 92 5.928 -11.775 10.603 523 HA PRO 93 HA PRO 93 2.326 -7.084 13.123 524 HB2 PRO 93 HB2 PRO 93 4.380 -5.345 13.444 525 HB3 PRO 93 HB3 PRO 93 4.164 -6.768 14.472 526 HG2 PRO 93 HG2 PRO 93 5.968 -6.399 12.106 527 HG3 PRO 93 HG3 PRO 93 6.326 -7.134 13.680 528 HD2 PRO 93 HD2 PRO 93 5.780 -8.617 11.491 529 HD3 PRO 93 HD3 PRO 93 5.305 -9.129 13.123 530 H LEU 94 H LEU 94 2.396 -4.540 12.822 531 HA LEU 94 HA LEU 94 1.574 -4.120 10.107 532 HB2 LEU 94 HB2 LEU 94 1.826 -2.399 12.464 533 HB3 LEU 94 HB3 LEU 94 1.102 -1.730 10.983 534 HG LEU 94 HG LEU 94 0.017 -4.019 12.669 535 HD11 LEU 94 HD11 LEU 94 -1.891 -2.443 13.085 536 HD12 LEU 94 HD12 LEU 94 -0.351 -1.760 13.657 537 HD13 LEU 94 HD13 LEU 94 -1.056 -1.203 12.122 538 HD21 LEU 94 HD21 LEU 94 -1.914 -3.991 11.128 539 HD22 LEU 94 HD22 LEU 94 -1.074 -2.783 10.126 540 HD23 LEU 94 HD23 LEU 94 -0.390 -4.416 10.313 541 H ASN 95 H ASN 95 4.459 -3.612 11.901 542 HA ASN 95 HA ASN 95 5.591 -1.661 10.118 543 HB2 ASN 95 HB2 ASN 95 7.096 -3.293 12.284 544 HB3 ASN 95 HB3 ASN 95 7.558 -2.125 11.021 545 HD21 ASN 95 HD21 ASN 95 7.642 -2.059 14.002 546 HD22 ASN 95 HD22 ASN 95 6.826 -0.594 14.439 547 H GLN 96 H GLN 96 5.661 -5.162 10.455 548 HA GLN 96 HA GLN 96 7.414 -5.375 8.119 549 HB2 GLN 96 HB2 GLN 96 6.396 -7.527 9.965 550 HB3 GLN 96 HB3 GLN 96 7.590 -7.733 8.662 551 HG2 GLN 96 HG2 GLN 96 8.172 -6.172 11.328 552 HG3 GLN 96 HG3 GLN 96 8.566 -7.762 10.633 553 HE21 GLN 96 HE21 GLN 96 9.692 -4.687 11.139 554 HE22 GLN 96 HE22 GLN 96 10.878 -4.599 9.880 555 H ALA 97 H ALA 97 4.358 -4.778 8.378 556 HA ALA 97 HA ALA 97 3.177 -6.852 6.777 557 HB1 ALA 97 HB1 ALA 97 2.033 -5.181 8.413 558 HB2 ALA 97 HB2 ALA 97 2.007 -4.115 7.007 559 HB3 ALA 97 HB3 ALA 97 1.200 -5.681 6.940 560 H ARG 98 H ARG 98 2.718 -6.826 4.597 561 HA ARG 98 HA ARG 98 3.892 -4.652 3.009 562 HB2 ARG 98 HB2 ARG 98 4.467 -7.536 2.565 563 HB3 ARG 98 HB3 ARG 98 4.859 -6.211 1.446 564 HG2 ARG 98 HG2 ARG 98 5.891 -6.406 4.290 565 HG3 ARG 98 HG3 ARG 98 6.781 -6.987 2.862 566 HD2 ARG 98 HD2 ARG 98 6.750 -4.713 1.966 567 HD3 ARG 98 HD3 ARG 98 5.957 -4.165 3.461 568 HE ARG 98 HE ARG 98 8.860 -4.846 3.264 569 HH11 ARG 98 HH11 ARG 98 6.166 -4.077 5.339 570 HH12 ARG 98 HH12 ARG 98 7.273 -3.692 6.643 571 HH21 ARG 98 HH21 ARG 98 10.141 -4.401 4.744 572 HH22 ARG 98 HH22 ARG 98 9.540 -3.876 6.305 573 H ALA 99 H ALA 99 1.129 -5.611 3.721 574 HA ALA 99 HA ALA 99 -0.008 -5.232 1.121 575 HB1 ALA 99 HB1 ALA 99 0.257 -7.497 0.704 576 HB2 ALA 99 HB2 ALA 99 -0.066 -7.948 2.378 577 HB3 ALA 99 HB3 ALA 99 -1.385 -7.410 1.340 578 H TRP 100 H TRP 100 -2.193 -4.676 1.197 579 HA TRP 100 HA TRP 100 -3.536 -4.718 3.788 580 HB2 TRP 100 HB2 TRP 100 -3.198 -2.124 2.241 581 HB3 TRP 100 HB3 TRP 100 -3.986 -2.339 3.821 582 HD1 TRP 100 HD1 TRP 100 -2.589 -2.277 5.822 583 HE1 TRP 100 HE1 TRP 100 0.019 -1.809 6.356 584 HE3 TRP 100 HE3 TRP 100 -0.801 -2.606 1.077 585 HZ2 TRP 100 HZ2 TRP 100 2.334 -1.648 4.857 586 HZ3 TRP 100 HZ3 TRP 100 1.558 -2.298 0.644 587 HH2 TRP 100 HH2 TRP 100 3.149 -1.830 2.457 588 H SER 101 H SER 101 -5.824 -4.201 3.646 589 HA SER 101 HA SER 101 -6.879 -5.310 1.167 590 HB2 SER 101 HB2 SER 101 -7.590 -6.416 3.149 591 HB3 SER 101 HB3 SER 101 -8.085 -4.879 3.892 592 HG SER 101 HG SER 101 -9.843 -6.086 3.031 593 H TRP 102 H TRP 102 -8.432 -4.330 -0.109 594 HA TRP 102 HA TRP 102 -8.703 -1.560 -0.246 595 HB2 TRP 102 HB2 TRP 102 -10.356 -3.854 -1.293 596 HB3 TRP 102 HB3 TRP 102 -10.928 -2.180 -1.485 597 HD1 TRP 102 HD1 TRP 102 -8.975 -4.681 -3.058 598 HE1 TRP 102 HE1 TRP 102 -7.517 -3.678 -5.100 599 HE3 TRP 102 HE3 TRP 102 -9.465 0.256 -1.951 600 HZ2 TRP 102 HZ2 TRP 102 -6.800 -1.147 -5.947 601 HZ3 TRP 102 HZ3 TRP 102 -8.411 1.924 -3.349 602 HH2 TRP 102 HH2 TRP 102 -7.092 1.299 -5.326 603 H GLU 103 H GLU 103 -10.363 -3.905 1.730 604 HA GLU 103 HA GLU 103 -12.467 -2.250 2.636 605 HB2 GLU 103 HB2 GLU 103 -11.065 -4.595 3.886 606 HB3 GLU 103 HB3 GLU 103 -12.458 -3.774 4.635 607 HG2 GLU 103 HG2 GLU 103 -13.874 -4.410 2.635 608 HG3 GLU 103 HG3 GLU 103 -12.382 -5.093 1.952 609 H PHE 104 H PHE 104 -9.113 -2.592 3.584 610 HA PHE 104 HA PHE 104 -9.372 -0.841 5.860 611 HB2 PHE 104 HB2 PHE 104 -7.659 -2.605 5.884 612 HB3 PHE 104 HB3 PHE 104 -6.883 -1.877 4.461 613 HD1 PHE 104 HD1 PHE 104 -7.731 -1.299 8.021 614 HD2 PHE 104 HD2 PHE 104 -5.326 -0.171 4.674 615 HE1 PHE 104 HE1 PHE 104 -6.326 0.096 9.502 616 HE2 PHE 104 HE2 PHE 104 -3.917 1.221 6.153 617 HZ PHE 104 HZ PHE 104 -4.420 1.355 8.569 618 H ILE 105 H ILE 105 -8.149 -0.612 2.549 619 HA ILE 105 HA ILE 105 -7.075 1.964 2.690 620 HB ILE 105 HB ILE 105 -8.251 0.442 0.353 621 HG12 ILE 105 HG12 ILE 105 -5.403 1.127 1.014 622 HG13 ILE 105 HG13 ILE 105 -6.208 -0.385 1.495 623 HG21 ILE 105 HG21 ILE 105 -7.180 2.136 -1.094 624 HG22 ILE 105 HG22 ILE 105 -8.441 2.870 -0.076 625 HG23 ILE 105 HG23 ILE 105 -6.725 3.078 0.346 626 HD11 ILE 105 HD11 ILE 105 -4.863 -0.703 -0.545 627 HD12 ILE 105 HD12 ILE 105 -6.597 -0.932 -0.875 628 HD13 ILE 105 HD13 ILE 105 -5.792 0.579 -1.356 629 H LYS 106 H LYS 106 -10.349 0.885 1.864 630 HA LYS 106 HA LYS 106 -11.324 3.474 1.220 631 HB2 LYS 106 HB2 LYS 106 -12.686 0.891 1.919 632 HB3 LYS 106 HB3 LYS 106 -13.581 2.380 1.535 633 HG2 LYS 106 HG2 LYS 106 -12.632 2.435 -0.696 634 HG3 LYS 106 HG3 LYS 106 -11.587 1.043 -0.324 635 HD2 LYS 106 HD2 LYS 106 -13.453 0.230 -1.599 636 HD3 LYS 106 HD3 LYS 106 -13.661 -0.314 0.083 637 HE2 LYS 106 HE2 LYS 106 -15.227 1.513 0.502 638 HE3 LYS 106 HE3 LYS 106 -14.987 2.120 -1.153 639 HZ1 LYS 106 HZ1 LYS 106 -16.992 0.812 -0.965 640 HZ2 LYS 106 HZ2 LYS 106 -15.921 0.063 -1.972 641 HZ3 LYS 106 HZ3 LYS 106 -16.143 -0.498 -0.436 642 H ASN 107 H ASN 107 -11.345 1.518 4.158 643 HA ASN 107 HA ASN 107 -13.052 3.096 5.707 644 HB2 ASN 107 HB2 ASN 107 -10.788 1.250 6.745 645 HB3 ASN 107 HB3 ASN 107 -11.917 2.383 7.528 646 HD21 ASN 107 HD21 ASN 107 -11.644 -0.536 7.728 647 HD22 ASN 107 HD22 ASN 107 -13.201 -1.180 7.326 648 H ARG 108 H ARG 108 -9.521 3.237 5.342 649 HA ARG 108 HA ARG 108 -9.257 5.526 7.047 650 HB2 ARG 108 HB2 ARG 108 -7.285 4.300 5.190 651 HB3 ARG 108 HB3 ARG 108 -6.964 5.639 6.315 652 HG2 ARG 108 HG2 ARG 108 -7.894 2.869 7.129 653 HG3 ARG 108 HG3 ARG 108 -6.203 3.423 7.161 654 HD2 ARG 108 HD2 ARG 108 -6.844 5.161 8.755 655 HD3 ARG 108 HD3 ARG 108 -8.496 4.502 8.769 656 HE ARG 108 HE ARG 108 -6.601 2.441 9.626 657 HH11 ARG 108 HH11 ARG 108 -8.126 5.364 10.761 658 HH12 ARG 108 HH12 ARG 108 -8.014 4.790 12.412 659 HH21 ARG 108 HH21 ARG 108 -6.459 1.772 11.513 660 HH22 ARG 108 HH22 ARG 108 -7.063 2.741 12.843 661 H LEU 109 H LEU 109 -9.487 4.969 3.581 662 HA LEU 109 HA LEU 109 -8.829 7.520 2.660 663 HB2 LEU 109 HB2 LEU 109 -8.989 5.715 1.288 664 HB3 LEU 109 HB3 LEU 109 -10.736 5.441 1.493 665 HG LEU 109 HG LEU 109 -11.171 7.652 0.437 666 HD11 LEU 109 HD11 LEU 109 -9.291 8.769 -0.794 667 HD12 LEU 109 HD12 LEU 109 -8.973 8.709 0.957 668 HD13 LEU 109 HD13 LEU 109 -8.163 7.560 -0.136 669 HD21 LEU 109 HD21 LEU 109 -10.636 6.968 -1.875 670 HD22 LEU 109 HD22 LEU 109 -9.539 5.721 -1.234 671 HD23 LEU 109 HD23 LEU 109 -11.283 5.630 -0.895 672 H LYS 110 H LYS 110 -11.925 6.211 3.771 673 HA LYS 110 HA LYS 110 -13.546 8.382 3.080 674 HB2 LYS 110 HB2 LYS 110 -13.749 6.277 5.200 675 HB3 LYS 110 HB3 LYS 110 -14.974 7.557 5.039 676 HG2 LYS 110 HG2 LYS 110 -15.478 6.835 2.764 677 HG3 LYS 110 HG3 LYS 110 -14.195 5.603 2.849 678 HD2 LYS 110 HD2 LYS 110 -15.388 4.475 4.678 679 HD3 LYS 110 HD3 LYS 110 -16.664 5.714 4.615 680 HE2 LYS 110 HE2 LYS 110 -17.187 5.065 2.304 681 HE3 LYS 110 HE3 LYS 110 -15.908 3.830 2.360 682 HZ1 LYS 110 HZ1 LYS 110 -18.078 2.886 2.777 683 HZ2 LYS 110 HZ2 LYS 110 -17.130 2.740 4.120 684 HZ3 LYS 110 HZ3 LYS 110 -18.316 3.886 4.067 685 H GLU 111 H GLU 111 -11.343 7.924 5.731 686 HA GLU 111 HA GLU 111 -12.299 9.806 7.547 687 HB2 GLU 111 HB2 GLU 111 -9.486 8.948 6.924 688 HB3 GLU 111 HB3 GLU 111 -9.921 10.003 8.290 689 HG2 GLU 111 HG2 GLU 111 -11.321 8.127 9.258 690 HG3 GLU 111 HG3 GLU 111 -10.897 7.222 7.787 691 H LEU 112 H LEU 112 -10.540 10.217 4.567 692 HA LEU 112 HA LEU 112 -10.651 13.134 4.959 693 HB2 LEU 112 HB2 LEU 112 -8.595 13.398 3.775 694 HB3 LEU 112 HB3 LEU 112 -8.343 12.241 5.080 695 HG LEU 112 HG LEU 112 -8.919 11.261 2.314 696 HD11 LEU 112 HD11 LEU 112 -7.159 12.616 1.716 697 HD12 LEU 112 HD12 LEU 112 -6.320 11.138 2.188 698 HD13 LEU 112 HD13 LEU 112 -6.393 12.505 3.299 699 HD21 LEU 112 HD21 LEU 112 -8.637 9.960 4.642 700 HD22 LEU 112 HD22 LEU 112 -6.952 10.006 4.122 701 HD23 LEU 112 HD23 LEU 112 -8.174 9.272 3.086 702 H ASN 113 H ASN 113 -12.120 10.765 3.420 703 HA ASN 113 HA ASN 113 -12.702 12.374 1.062 704 HB2 ASN 113 HB2 ASN 113 -10.788 10.583 0.393 705 HB3 ASN 113 HB3 ASN 113 -12.171 9.593 0.915 706 HD21 ASN 113 HD21 ASN 113 -11.812 8.717 -1.275 707 HD22 ASN 113 HD22 ASN 113 -12.643 9.474 -2.594 708 H LEU 114 H LEU 114 -14.445 12.220 3.021 709 HA LEU 114 HA LEU 114 -16.592 10.700 1.784 710 HB2 LEU 114 HB2 LEU 114 -15.805 9.223 3.302 711 HB3 LEU 114 HB3 LEU 114 -15.799 10.317 4.704 712 HG LEU 114 HG LEU 114 -18.328 10.499 4.389 713 HD11 LEU 114 HD11 LEU 114 -19.402 8.569 3.200 714 HD12 LEU 114 HD12 LEU 114 -18.410 9.542 2.089 715 HD13 LEU 114 HD13 LEU 114 -17.792 7.993 2.711 716 HD21 LEU 114 HD21 LEU 114 -18.766 8.394 5.608 717 HD22 LEU 114 HD22 LEU 114 -17.140 7.821 5.165 718 HD23 LEU 114 HD23 LEU 114 -17.327 9.249 6.211 Start of MODEL 18 1 H1 GLY 29 H1 GLY 29 13.789 -26.505 -7.764 2 H2 GLY 29 H2 GLY 29 14.205 -27.359 -8.925 3 H3 GLY 29 H3 GLY 29 13.667 -25.979 -9.163 4 HA2 GLY 29 HA2 GLY 29 12.130 -28.353 -9.102 5 HA3 GLY 29 HA3 GLY 29 11.643 -27.350 -7.743 6 H SER 30 H SER 30 11.994 -27.360 -11.277 7 HA SER 30 HA SER 30 11.346 -24.703 -11.700 8 HB2 SER 30 HB2 SER 30 12.338 -26.053 -13.424 9 HB3 SER 30 HB3 SER 30 10.890 -27.083 -13.495 10 HG SER 30 HG SER 30 9.734 -25.228 -14.192 11 H GLU 31 H GLU 31 9.498 -23.550 -11.944 12 HA GLU 31 HA GLU 31 7.090 -24.776 -10.894 13 HB2 GLU 31 HB2 GLU 31 7.733 -21.934 -11.650 14 HB3 GLU 31 HB3 GLU 31 6.184 -22.472 -10.957 15 HG2 GLU 31 HG2 GLU 31 7.539 -23.283 -8.895 16 HG3 GLU 31 HG3 GLU 31 8.907 -22.516 -9.735 17 H GLU 32 H GLU 32 5.015 -23.551 -12.027 18 HA GLU 32 HA GLU 32 5.058 -24.892 -14.641 19 HB2 GLU 32 HB2 GLU 32 2.805 -24.385 -12.713 20 HB3 GLU 32 HB3 GLU 32 2.608 -25.107 -14.327 21 HG2 GLU 32 HG2 GLU 32 4.094 -27.044 -13.584 22 HG3 GLU 32 HG3 GLU 32 4.206 -26.172 -12.038 23 H LYS 33 H LYS 33 3.571 -22.089 -12.997 24 HA LYS 33 HA LYS 33 2.455 -21.279 -15.575 25 HB2 LYS 33 HB2 LYS 33 1.830 -20.456 -12.752 26 HB3 LYS 33 HB3 LYS 33 1.084 -19.720 -14.190 27 HG2 LYS 33 HG2 LYS 33 0.111 -21.873 -14.820 28 HG3 LYS 33 HG3 LYS 33 0.903 -22.655 -13.431 29 HD2 LYS 33 HD2 LYS 33 -0.372 -21.191 -11.897 30 HD3 LYS 33 HD3 LYS 33 -1.191 -20.459 -13.297 31 HE2 LYS 33 HE2 LYS 33 -2.137 -22.630 -13.905 32 HE3 LYS 33 HE3 LYS 33 -1.286 -23.396 -12.545 33 HZ1 LYS 33 HZ1 LYS 33 -3.578 -22.925 -12.008 34 HZ2 LYS 33 HZ2 LYS 33 -2.578 -22.029 -11.051 35 HZ3 LYS 33 HZ3 LYS 33 -3.366 -21.318 -12.312 36 H GLU 34 H GLU 34 2.907 -19.357 -16.560 37 HA GLU 34 HA GLU 34 5.205 -17.909 -15.416 38 HB2 GLU 34 HB2 GLU 34 4.589 -18.500 -18.302 39 HB3 GLU 34 HB3 GLU 34 5.950 -17.512 -17.718 40 HG2 GLU 34 HG2 GLU 34 6.832 -19.606 -16.507 41 HG3 GLU 34 HG3 GLU 34 5.434 -20.418 -17.251 42 H GLU 35 H GLU 35 2.107 -17.458 -15.633 43 HA GLU 35 HA GLU 35 2.554 -14.570 -15.906 44 HB2 GLU 35 HB2 GLU 35 0.136 -16.082 -16.872 45 HB3 GLU 35 HB3 GLU 35 0.244 -14.309 -16.744 46 HG2 GLU 35 HG2 GLU 35 2.159 -14.378 -18.449 47 HG3 GLU 35 HG3 GLU 35 1.877 -16.134 -18.456 48 H LYS 36 H LYS 36 2.097 -13.537 -14.072 49 HA LYS 36 HA LYS 36 -0.196 -14.502 -12.493 50 HB2 LYS 36 HB2 LYS 36 2.328 -13.203 -11.489 51 HB3 LYS 36 HB3 LYS 36 0.878 -13.498 -10.502 52 HG2 LYS 36 HG2 LYS 36 1.125 -15.929 -10.895 53 HG3 LYS 36 HG3 LYS 36 2.603 -15.613 -11.835 54 HD2 LYS 36 HD2 LYS 36 3.633 -14.576 -9.837 55 HD3 LYS 36 HD3 LYS 36 2.164 -14.951 -8.903 56 HE2 LYS 36 HE2 LYS 36 2.504 -17.345 -9.314 57 HE3 LYS 36 HE3 LYS 36 3.961 -16.981 -10.266 58 HZ1 LYS 36 HZ1 LYS 36 4.505 -17.621 -8.015 59 HZ2 LYS 36 HZ2 LYS 36 4.947 -16.054 -8.280 60 HZ3 LYS 36 HZ3 LYS 36 3.593 -16.392 -7.399 61 H LYS 37 H LYS 37 -1.381 -13.050 -14.000 62 HA LYS 37 HA LYS 37 -0.502 -10.385 -14.394 63 HB2 LYS 37 HB2 LYS 37 -1.766 -11.640 -16.056 64 HB3 LYS 37 HB3 LYS 37 -3.182 -11.628 -14.978 65 HG2 LYS 37 HG2 LYS 37 -3.650 -9.911 -16.495 66 HG3 LYS 37 HG3 LYS 37 -2.981 -9.051 -15.087 67 HD2 LYS 37 HD2 LYS 37 -0.708 -9.240 -16.274 68 HD3 LYS 37 HD3 LYS 37 -1.638 -9.688 -17.723 69 HE2 LYS 37 HE2 LYS 37 -2.951 -7.574 -17.455 70 HE3 LYS 37 HE3 LYS 37 -1.855 -7.117 -16.131 71 HZ1 LYS 37 HZ1 LYS 37 -1.188 -6.131 -18.218 72 HZ2 LYS 37 HZ2 LYS 37 -0.035 -7.192 -17.699 73 HZ3 LYS 37 HZ3 LYS 37 -1.052 -7.616 -18.926 74 H VAL 38 H VAL 38 -1.046 -8.515 -13.418 75 HA VAL 38 HA VAL 38 -3.226 -8.543 -11.448 76 HB VAL 38 HB VAL 38 -1.862 -7.168 -9.893 77 HG11 VAL 38 HG11 VAL 38 -0.438 -9.016 -9.075 78 HG12 VAL 38 HG12 VAL 38 -2.041 -9.613 -9.566 79 HG13 VAL 38 HG13 VAL 38 -0.635 -9.858 -10.631 80 HG21 VAL 38 HG21 VAL 38 0.560 -7.057 -10.189 81 HG22 VAL 38 HG22 VAL 38 0.400 -7.827 -11.785 82 HG23 VAL 38 HG23 VAL 38 -0.311 -6.221 -11.495 83 H ARG 39 H ARG 39 -3.451 -6.112 -10.604 84 HA ARG 39 HA ARG 39 -3.651 -4.387 -12.939 85 HB2 ARG 39 HB2 ARG 39 -4.500 -3.790 -10.154 86 HB3 ARG 39 HB3 ARG 39 -4.841 -2.847 -11.623 87 HG2 ARG 39 HG2 ARG 39 -5.832 -5.649 -11.011 88 HG3 ARG 39 HG3 ARG 39 -6.796 -4.154 -10.947 89 HD2 ARG 39 HD2 ARG 39 -5.538 -5.377 -13.383 90 HD3 ARG 39 HD3 ARG 39 -7.260 -5.410 -12.935 91 HE ARG 39 HE ARG 39 -5.915 -3.081 -14.201 92 HH11 ARG 39 HH11 ARG 39 -8.696 -4.175 -12.404 93 HH12 ARG 39 HH12 ARG 39 -9.593 -2.761 -12.918 94 HH21 ARG 39 HH21 ARG 39 -6.932 -1.460 -14.806 95 HH22 ARG 39 HH22 ARG 39 -8.589 -1.211 -14.288 96 H GLU 40 H GLU 40 -2.666 -2.282 -13.044 97 HA GLU 40 HA GLU 40 0.069 -2.665 -12.062 98 HB2 GLU 40 HB2 GLU 40 0.812 -1.459 -13.992 99 HB3 GLU 40 HB3 GLU 40 -0.272 -2.788 -14.467 100 HG2 GLU 40 HG2 GLU 40 -2.139 -1.092 -14.785 101 HG3 GLU 40 HG3 GLU 40 -0.955 0.112 -14.230 102 H LEU 41 H LEU 41 1.393 -0.584 -11.963 103 HA LEU 41 HA LEU 41 0.115 1.219 -10.133 104 HB2 LEU 41 HB2 LEU 41 2.731 0.827 -11.306 105 HB3 LEU 41 HB3 LEU 41 2.521 2.407 -10.518 106 HG LEU 41 HG LEU 41 3.469 1.149 -8.803 107 HD11 LEU 41 HD11 LEU 41 1.631 0.529 -7.212 108 HD12 LEU 41 HD12 LEU 41 1.279 2.065 -8.040 109 HD13 LEU 41 HD13 LEU 41 0.471 0.567 -8.560 110 HD21 LEU 41 HD21 LEU 41 2.967 -1.231 -8.371 111 HD22 LEU 41 HD22 LEU 41 1.836 -1.224 -9.747 112 HD23 LEU 41 HD23 LEU 41 3.573 -0.946 -10.019 113 H THR 42 H THR 42 -1.559 1.915 -11.718 114 HA THR 42 HA THR 42 -0.782 3.967 -13.578 115 HB THR 42 HB THR 42 -3.170 4.509 -13.720 116 HG1 THR 42 HG1 THR 42 -4.621 3.239 -12.407 117 HG21 THR 42 HG21 THR 42 -3.981 2.316 -14.517 118 HG22 THR 42 HG22 THR 42 -2.303 2.606 -15.036 119 HG23 THR 42 HG23 THR 42 -2.638 1.512 -13.673 120 HA PRO 43 HA PRO 43 -0.518 7.523 -10.943 121 HB2 PRO 43 HB2 PRO 43 -1.910 9.389 -12.402 122 HB3 PRO 43 HB3 PRO 43 -0.250 8.891 -12.764 123 HG2 PRO 43 HG2 PRO 43 -2.847 7.917 -13.998 124 HG3 PRO 43 HG3 PRO 43 -1.334 8.356 -14.799 125 HD2 PRO 43 HD2 PRO 43 -1.944 5.745 -14.354 126 HD3 PRO 43 HD3 PRO 43 -0.273 6.300 -14.213 127 H GLN 44 H GLN 44 -3.638 6.369 -12.035 128 HA GLN 44 HA GLN 44 -5.131 7.927 -10.126 129 HB2 GLN 44 HB2 GLN 44 -6.060 7.268 -12.300 130 HB3 GLN 44 HB3 GLN 44 -5.973 5.564 -11.794 131 HG2 GLN 44 HG2 GLN 44 -8.409 6.265 -11.279 132 HG3 GLN 44 HG3 GLN 44 -7.254 6.137 -9.933 133 HE21 GLN 44 HE21 GLN 44 -8.640 7.475 -8.671 134 HE22 GLN 44 HE22 GLN 44 -8.682 9.190 -8.912 135 H GLU 45 H GLU 45 -4.042 4.575 -10.426 136 HA GLU 45 HA GLU 45 -5.448 3.712 -8.080 137 HB2 GLU 45 HB2 GLU 45 -3.347 2.415 -9.793 138 HB3 GLU 45 HB3 GLU 45 -4.081 1.629 -8.375 139 HG2 GLU 45 HG2 GLU 45 -5.570 2.470 -10.935 140 HG3 GLU 45 HG3 GLU 45 -5.091 0.857 -10.360 141 H LEU 46 H LEU 46 -2.280 4.951 -8.789 142 HA LEU 46 HA LEU 46 -1.078 4.032 -6.345 143 HB2 LEU 46 HB2 LEU 46 0.187 4.237 -8.210 144 HB3 LEU 46 HB3 LEU 46 -0.111 5.967 -8.497 145 HG LEU 46 HG LEU 46 1.036 6.463 -6.326 146 HD11 LEU 46 HD11 LEU 46 2.462 4.658 -5.327 147 HD12 LEU 46 HD12 LEU 46 0.738 4.222 -5.277 148 HD13 LEU 46 HD13 LEU 46 1.802 3.504 -6.510 149 HD21 LEU 46 HD21 LEU 46 3.328 6.098 -7.172 150 HD22 LEU 46 HD22 LEU 46 2.679 4.975 -8.393 151 HD23 LEU 46 HD23 LEU 46 2.218 6.694 -8.430 152 H GLU 47 H GLU 47 -2.143 7.198 -7.588 153 HA GLU 47 HA GLU 47 -1.197 8.699 -5.427 154 HB2 GLU 47 HB2 GLU 47 -3.394 9.216 -7.407 155 HB3 GLU 47 HB3 GLU 47 -2.891 10.407 -6.184 156 HG2 GLU 47 HG2 GLU 47 -0.577 10.445 -7.209 157 HG3 GLU 47 HG3 GLU 47 -1.177 9.173 -8.299 158 H LEU 48 H LEU 48 -4.257 7.045 -5.928 159 HA LEU 48 HA LEU 48 -5.671 8.294 -3.821 160 HB2 LEU 48 HB2 LEU 48 -7.389 6.832 -4.282 161 HB3 LEU 48 HB3 LEU 48 -6.531 6.897 -5.822 162 HG LEU 48 HG LEU 48 -5.341 4.757 -4.971 163 HD11 LEU 48 HD11 LEU 48 -7.439 3.623 -3.603 164 HD12 LEU 48 HD12 LEU 48 -7.318 5.231 -2.889 165 HD13 LEU 48 HD13 LEU 48 -5.914 4.163 -2.901 166 HD21 LEU 48 HD21 LEU 48 -7.504 5.231 -6.601 167 HD22 LEU 48 HD22 LEU 48 -8.105 3.998 -5.492 168 HD23 LEU 48 HD23 LEU 48 -6.648 3.698 -6.440 169 H PHE 49 H PHE 49 -3.425 5.654 -3.936 170 HA PHE 49 HA PHE 49 -4.057 4.500 -1.421 171 HB2 PHE 49 HB2 PHE 49 -2.777 3.225 -3.060 172 HB3 PHE 49 HB3 PHE 49 -1.471 4.432 -3.016 173 HD1 PHE 49 HD1 PHE 49 -3.164 1.748 -1.151 174 HD2 PHE 49 HD2 PHE 49 0.144 4.447 -1.296 175 HE1 PHE 49 HE1 PHE 49 -2.049 0.476 0.652 176 HE2 PHE 49 HE2 PHE 49 1.264 3.175 0.503 177 HZ PHE 49 HZ PHE 49 0.166 1.190 1.479 178 H LYS 50 H LYS 50 -1.365 6.630 -2.388 179 HA LYS 50 HA LYS 50 -0.460 7.125 0.235 180 HB2 LYS 50 HB2 LYS 50 0.879 8.864 -0.680 181 HB3 LYS 50 HB3 LYS 50 0.893 7.460 -1.774 182 HG2 LYS 50 HG2 LYS 50 -0.711 8.579 -3.255 183 HG3 LYS 50 HG3 LYS 50 -0.773 9.973 -2.149 184 HD2 LYS 50 HD2 LYS 50 1.661 10.327 -2.510 185 HD3 LYS 50 HD3 LYS 50 1.658 8.986 -3.680 186 HE2 LYS 50 HE2 LYS 50 0.008 10.204 -5.053 187 HE3 LYS 50 HE3 LYS 50 0.053 11.552 -3.893 188 HZ1 LYS 50 HZ1 LYS 50 1.472 11.958 -5.786 189 HZ2 LYS 50 HZ2 LYS 50 2.381 11.836 -4.415 190 HZ3 LYS 50 HZ3 LYS 50 2.338 10.586 -5.490 191 H ARG 51 H ARG 51 -2.949 8.593 -1.719 192 HA ARG 51 HA ARG 51 -3.408 10.883 -0.127 193 HB2 ARG 51 HB2 ARG 51 -4.237 10.677 -2.363 194 HB3 ARG 51 HB3 ARG 51 -5.372 9.423 -1.814 195 HG2 ARG 51 HG2 ARG 51 -6.463 11.054 -0.336 196 HG3 ARG 51 HG3 ARG 51 -5.323 12.309 -0.880 197 HD2 ARG 51 HD2 ARG 51 -7.290 10.863 -2.626 198 HD3 ARG 51 HD3 ARG 51 -7.525 12.474 -1.908 199 HE ARG 51 HE ARG 51 -5.860 11.955 -4.309 200 HH11 ARG 51 HH11 ARG 51 -6.533 14.181 -1.711 201 HH12 ARG 51 HH12 ARG 51 -5.792 15.481 -2.624 202 HH21 ARG 51 HH21 ARG 51 -5.017 13.434 -5.371 203 HH22 ARG 51 HH22 ARG 51 -4.927 15.056 -4.713 204 H ALA 52 H ALA 52 -4.813 7.624 -0.071 205 HA ALA 52 HA ALA 52 -6.545 8.154 2.130 206 HB1 ALA 52 HB1 ALA 52 -5.686 5.705 0.658 207 HB2 ALA 52 HB2 ALA 52 -6.531 5.544 2.199 208 HB3 ALA 52 HB3 ALA 52 -7.298 6.392 0.859 209 H MET 53 H MET 53 -3.334 6.703 1.804 210 HA MET 53 HA MET 53 -3.176 5.754 4.469 211 HB2 MET 53 HB2 MET 53 -1.849 4.915 2.559 212 HB3 MET 53 HB3 MET 53 -0.923 6.435 2.591 213 HG2 MET 53 HG2 MET 53 0.332 4.674 3.702 214 HG3 MET 53 HG3 MET 53 -0.166 5.915 4.877 215 HE1 MET 53 HE1 MET 53 -1.918 1.645 4.530 216 HE2 MET 53 HE2 MET 53 -2.062 2.836 3.212 217 HE3 MET 53 HE3 MET 53 -0.458 2.227 3.695 218 H GLY 54 H GLY 54 -2.636 8.842 3.011 219 HA2 GLY 54 HA2 GLY 54 -2.321 10.886 4.063 220 HA3 GLY 54 HA3 GLY 54 -2.180 10.040 5.597 221 H ILE 55 H ILE 55 -0.282 9.550 2.647 222 HA ILE 55 HA ILE 55 2.112 9.223 4.069 223 HB ILE 55 HB ILE 55 1.671 9.846 1.134 224 HG12 ILE 55 HG12 ILE 55 0.671 7.790 1.910 225 HG13 ILE 55 HG13 ILE 55 2.017 7.517 0.778 226 HG21 ILE 55 HG21 ILE 55 3.986 9.041 0.816 227 HG22 ILE 55 HG22 ILE 55 3.949 10.495 1.840 228 HG23 ILE 55 HG23 ILE 55 4.178 8.892 2.578 229 HD11 ILE 55 HD11 ILE 55 2.064 5.888 2.625 230 HD12 ILE 55 HD12 ILE 55 3.492 6.949 2.668 231 HD13 ILE 55 HD13 ILE 55 2.146 7.220 3.799 232 H THR 56 H THR 56 3.641 10.594 4.751 233 HA THR 56 HA THR 56 3.475 13.404 3.878 234 HB THR 56 HB THR 56 4.201 14.133 6.093 235 HG1 THR 56 HG1 THR 56 4.069 11.349 6.744 236 HG21 THR 56 HG21 THR 56 2.176 13.533 7.373 237 HG22 THR 56 HG22 THR 56 1.776 13.901 5.678 238 HG23 THR 56 HG23 THR 56 1.844 12.211 6.228 239 HA PRO 57 HA PRO 57 7.743 13.240 2.791 240 HB2 PRO 57 HB2 PRO 57 8.586 15.757 3.429 241 HB3 PRO 57 HB3 PRO 57 7.575 15.404 2.022 242 HG2 PRO 57 HG2 PRO 57 6.739 16.399 4.767 243 HG3 PRO 57 HG3 PRO 57 6.228 16.975 3.175 244 HD2 PRO 57 HD2 PRO 57 4.651 15.275 4.606 245 HD3 PRO 57 HD3 PRO 57 4.735 15.148 2.845 246 H HIS 58 H HIS 58 6.745 13.828 6.034 247 HA HIS 58 HA HIS 58 9.275 13.919 7.293 248 HB2 HIS 58 HB2 HIS 58 7.270 14.630 8.498 249 HB3 HIS 58 HB3 HIS 58 6.598 12.985 8.391 250 HD1 HIS 58 HD1 HIS 58 9.543 14.830 9.946 251 HD2 HIS 58 HD2 HIS 58 7.225 11.375 10.618 252 HE1 HIS 58 HE1 HIS 58 10.352 13.872 12.045 253 H ASN 59 H ASN 59 7.032 11.229 6.673 254 HA ASN 59 HA ASN 59 9.254 9.371 7.216 255 HB2 ASN 59 HB2 ASN 59 7.574 7.684 8.064 256 HB3 ASN 59 HB3 ASN 59 7.545 9.365 8.650 257 HD21 ASN 59 HD21 ASN 59 5.439 7.570 8.965 258 HD22 ASN 59 HD22 ASN 59 4.086 8.139 8.045 259 H TYR 60 H TYR 60 8.559 10.764 4.694 260 HA TYR 60 HA TYR 60 7.251 9.024 2.911 261 HB2 TYR 60 HB2 TYR 60 7.551 11.365 2.423 262 HB3 TYR 60 HB3 TYR 60 9.318 11.151 2.393 263 HD1 TYR 60 HD1 TYR 60 6.168 10.184 0.645 264 HD2 TYR 60 HD2 TYR 60 10.415 10.487 0.404 265 HE1 TYR 60 HE1 TYR 60 6.059 9.668 -1.774 266 HE2 TYR 60 HE2 TYR 60 10.324 9.973 -2.013 267 HH TYR 60 HH TYR 60 8.991 9.491 -3.796 268 H TRP 61 H TRP 61 10.690 9.472 3.654 269 HA TRP 61 HA TRP 61 11.649 7.637 1.733 270 HB2 TRP 61 HB2 TRP 61 13.795 7.804 2.876 271 HB3 TRP 61 HB3 TRP 61 13.043 9.417 2.840 272 HD1 TRP 61 HD1 TRP 61 12.279 10.408 5.010 273 HE1 TRP 61 HE1 TRP 61 12.869 9.915 7.600 274 HE3 TRP 61 HE3 TRP 61 14.326 5.792 4.427 275 HZ2 TRP 61 HZ2 TRP 61 14.024 7.824 8.990 276 HZ3 TRP 61 HZ3 TRP 61 15.154 4.580 6.348 277 HH2 TRP 61 HH2 TRP 61 15.032 5.522 8.615 278 H GLN 62 H GLN 62 10.612 7.285 5.072 279 HA GLN 62 HA GLN 62 11.408 4.610 5.450 280 HB2 GLN 62 HB2 GLN 62 9.162 6.232 6.620 281 HB3 GLN 62 HB3 GLN 62 9.514 4.559 7.115 282 HG2 GLN 62 HG2 GLN 62 11.936 5.489 7.903 283 HG3 GLN 62 HG3 GLN 62 11.166 6.928 7.195 284 HE21 GLN 62 HE21 GLN 62 12.212 6.789 9.823 285 HE22 GLN 62 HE22 GLN 62 10.896 6.959 10.938 286 H TRP 63 H TRP 63 8.327 5.993 4.329 287 HA TRP 63 HA TRP 63 7.073 3.521 3.791 288 HB2 TRP 63 HB2 TRP 63 6.570 6.368 2.962 289 HB3 TRP 63 HB3 TRP 63 5.687 5.053 2.150 290 HD1 TRP 63 HD1 TRP 63 5.730 7.124 5.097 291 HE1 TRP 63 HE1 TRP 63 3.752 6.421 6.800 292 HE3 TRP 63 HE3 TRP 63 4.440 2.709 2.935 293 HZ2 TRP 63 HZ2 TRP 63 2.019 4.280 7.023 294 HZ3 TRP 63 HZ3 TRP 63 2.662 1.369 3.880 295 HH2 TRP 63 HH2 TRP 63 1.434 2.086 5.882 296 H ALA 64 H ALA 64 9.123 5.633 1.858 297 HA ALA 64 HA ALA 64 8.678 4.408 -0.639 298 HB1 ALA 64 HB1 ALA 64 11.148 5.866 0.297 299 HB2 ALA 64 HB2 ALA 64 10.677 5.561 -1.376 300 HB3 ALA 64 HB3 ALA 64 9.702 6.629 -0.366 301 H SER 65 H SER 65 10.727 3.572 2.054 302 HA SER 65 HA SER 65 12.444 1.848 0.505 303 HB2 SER 65 HB2 SER 65 13.546 1.358 2.592 304 HB3 SER 65 HB3 SER 65 13.284 3.109 2.435 305 HG SER 65 HG SER 65 12.746 2.315 4.513 306 H ARG 66 H ARG 66 9.609 1.524 2.515 307 HA ARG 66 HA ARG 66 9.901 -1.362 2.709 308 HB2 ARG 66 HB2 ARG 66 8.154 -1.427 4.199 309 HB3 ARG 66 HB3 ARG 66 9.230 -0.082 4.644 310 HG2 ARG 66 HG2 ARG 66 7.675 1.545 3.907 311 HG3 ARG 66 HG3 ARG 66 6.699 0.330 3.043 312 HD2 ARG 66 HD2 ARG 66 5.604 1.105 5.041 313 HD3 ARG 66 HD3 ARG 66 6.012 -0.624 5.147 314 HE ARG 66 HE ARG 66 7.573 -0.029 6.995 315 HH11 ARG 66 HH11 ARG 66 6.181 2.829 5.563 316 HH12 ARG 66 HH12 ARG 66 6.704 3.781 6.939 317 HH21 ARG 66 HH21 ARG 66 8.185 1.049 8.574 318 HH22 ARG 66 HH22 ARG 66 7.846 2.767 8.657 319 H THR 67 H THR 67 8.116 1.008 0.907 320 HA THR 67 HA THR 67 6.155 -0.934 -0.020 321 HB THR 67 HB THR 67 5.130 0.964 -1.238 322 HG1 THR 67 HG1 THR 67 6.050 3.063 -0.822 323 HG21 THR 67 HG21 THR 67 4.441 2.253 0.754 324 HG22 THR 67 HG22 THR 67 4.481 0.507 1.103 325 HG23 THR 67 HG23 THR 67 5.798 1.560 1.672 326 H ASN 68 H ASN 68 9.180 -0.687 -0.767 327 HA ASN 68 HA ASN 68 10.517 -0.873 -2.606 328 HB2 ASN 68 HB2 ASN 68 8.895 -3.067 -2.843 329 HB3 ASN 68 HB3 ASN 68 8.233 -1.842 -3.953 330 HD21 ASN 68 HD21 ASN 68 9.202 -4.428 -4.640 331 HD22 ASN 68 HD22 ASN 68 10.550 -4.211 -5.707 332 H ASN 69 H ASN 69 10.044 1.593 -2.633 333 HA ASN 69 HA ASN 69 9.789 3.497 -3.848 334 HB2 ASN 69 HB2 ASN 69 11.096 1.904 -5.708 335 HB3 ASN 69 HB3 ASN 69 9.376 1.965 -6.164 336 HD21 ASN 69 HD21 ASN 69 10.312 2.870 -8.136 337 HD22 ASN 69 HD22 ASN 69 10.586 4.580 -8.208 338 H PHE 70 H PHE 70 7.450 2.268 -2.796 339 HA PHE 70 HA PHE 70 5.178 2.312 -2.919 340 HB2 PHE 70 HB2 PHE 70 5.800 4.629 -4.780 341 HB3 PHE 70 HB3 PHE 70 4.185 4.266 -4.133 342 HD1 PHE 70 HD1 PHE 70 3.719 4.513 -1.749 343 HD2 PHE 70 HD2 PHE 70 7.457 5.672 -3.460 344 HE1 PHE 70 HE1 PHE 70 4.211 5.875 0.254 345 HE2 PHE 70 HE2 PHE 70 7.955 7.034 -1.458 346 HZ PHE 70 HZ PHE 70 6.331 7.135 0.400 347 H LYS 71 H LYS 71 6.517 0.489 -4.678 348 HA LYS 71 HA LYS 71 4.755 0.406 -7.008 349 HB2 LYS 71 HB2 LYS 71 7.079 -1.310 -6.173 350 HB3 LYS 71 HB3 LYS 71 6.075 -1.621 -7.610 351 HG2 LYS 71 HG2 LYS 71 7.627 0.945 -7.144 352 HG3 LYS 71 HG3 LYS 71 8.253 -0.437 -8.074 353 HD2 LYS 71 HD2 LYS 71 5.681 1.054 -8.697 354 HD3 LYS 71 HD3 LYS 71 7.242 1.350 -9.499 355 HE2 LYS 71 HE2 LYS 71 5.793 -1.313 -9.452 356 HE3 LYS 71 HE3 LYS 71 5.718 -0.145 -10.790 357 HZ1 LYS 71 HZ1 LYS 71 7.358 -1.853 -11.191 358 HZ2 LYS 71 HZ2 LYS 71 8.095 -0.385 -11.047 359 HZ3 LYS 71 HZ3 LYS 71 8.163 -1.469 -9.805 360 H LEU 72 H LEU 72 2.762 -0.085 -6.118 361 HA LEU 72 HA LEU 72 2.575 -2.590 -4.586 362 HB2 LEU 72 HB2 LEU 72 0.608 -0.438 -4.897 363 HB3 LEU 72 HB3 LEU 72 0.433 -1.725 -3.683 364 HG LEU 72 HG LEU 72 2.514 0.495 -3.706 365 HD11 LEU 72 HD11 LEU 72 1.370 1.209 -1.590 366 HD12 LEU 72 HD12 LEU 72 0.245 1.221 -2.967 367 HD13 LEU 72 HD13 LEU 72 0.201 -0.116 -1.792 368 HD21 LEU 72 HD21 LEU 72 3.257 -0.424 -1.537 369 HD22 LEU 72 HD22 LEU 72 2.125 -1.784 -1.746 370 HD23 LEU 72 HD23 LEU 72 3.478 -1.570 -2.882 371 H LEU 73 H LEU 73 1.307 -4.243 -5.280 372 HA LEU 73 HA LEU 73 -0.166 -3.852 -7.796 373 HB2 LEU 73 HB2 LEU 73 1.567 -6.064 -6.959 374 HB3 LEU 73 HB3 LEU 73 0.608 -6.210 -8.450 375 HG LEU 73 HG LEU 73 2.768 -4.125 -7.948 376 HD11 LEU 73 HD11 LEU 73 4.115 -5.444 -9.602 377 HD12 LEU 73 HD12 LEU 73 3.724 -6.417 -8.165 378 HD13 LEU 73 HD13 LEU 73 2.813 -6.653 -9.677 379 HD21 LEU 73 HD21 LEU 73 2.544 -3.662 -10.364 380 HD22 LEU 73 HD22 LEU 73 1.207 -4.836 -10.448 381 HD23 LEU 73 HD23 LEU 73 1.038 -3.362 -9.465 382 H THR 74 H THR 74 -2.055 -5.064 -8.056 383 HA THR 74 HA THR 74 -2.581 -7.445 -6.696 384 HB THR 74 HB THR 74 -2.851 -5.953 -4.714 385 HG1 THR 74 HG1 THR 74 -4.886 -6.887 -4.145 386 HG21 THR 74 HG21 THR 74 -4.855 -4.514 -4.608 387 HG22 THR 74 HG22 THR 74 -3.752 -3.979 -5.898 388 HG23 THR 74 HG23 THR 74 -5.222 -4.896 -6.306 389 H ASP 75 H ASP 75 -4.848 -8.212 -7.035 390 HA ASP 75 HA ASP 75 -6.382 -6.711 -9.004 391 HB2 ASP 75 HB2 ASP 75 -4.815 -8.252 -10.335 392 HB3 ASP 75 HB3 ASP 75 -5.585 -9.521 -9.351 393 H GLY 76 H GLY 76 -8.231 -6.514 -7.895 394 HA2 GLY 76 HA2 GLY 76 -10.209 -7.108 -6.891 395 HA3 GLY 76 HA3 GLY 76 -9.952 -8.715 -7.551 396 H GLU 77 H GLU 77 -7.535 -7.380 -5.474 397 HA GLU 77 HA GLU 77 -8.513 -8.951 -3.206 398 HB2 GLU 77 HB2 GLU 77 -5.820 -9.287 -4.509 399 HB3 GLU 77 HB3 GLU 77 -6.257 -9.943 -2.913 400 HG2 GLU 77 HG2 GLU 77 -8.054 -11.354 -4.045 401 HG3 GLU 77 HG3 GLU 77 -7.511 -10.579 -5.550 402 H TRP 78 H TRP 78 -6.762 -8.702 -1.342 403 HA TRP 78 HA TRP 78 -6.383 -6.014 -0.666 404 HB2 TRP 78 HB2 TRP 78 -5.116 -6.786 1.172 405 HB3 TRP 78 HB3 TRP 78 -6.281 -8.068 0.854 406 HD1 TRP 78 HD1 TRP 78 -4.508 -9.258 -1.676 407 HE1 TRP 78 HE1 TRP 78 -2.464 -10.707 -1.089 408 HE3 TRP 78 HE3 TRP 78 -3.788 -7.726 3.147 409 HZ2 TRP 78 HZ2 TRP 78 -0.771 -11.143 1.127 410 HZ3 TRP 78 HZ3 TRP 78 -1.933 -8.708 4.431 411 HH2 TRP 78 HH2 TRP 78 -0.457 -10.382 3.442 412 H VAL 79 H VAL 79 -4.563 -4.673 -0.701 413 HA VAL 79 HA VAL 79 -2.842 -5.031 -2.980 414 HB VAL 79 HB VAL 79 -2.941 -2.841 -0.888 415 HG11 VAL 79 HG11 VAL 79 -1.488 -1.573 -2.437 416 HG12 VAL 79 HG12 VAL 79 -0.676 -3.047 -1.858 417 HG13 VAL 79 HG13 VAL 79 -1.373 -2.999 -3.495 418 HG21 VAL 79 HG21 VAL 79 -3.943 -1.515 -2.679 419 HG22 VAL 79 HG22 VAL 79 -3.915 -2.939 -3.745 420 HG23 VAL 79 HG23 VAL 79 -4.921 -2.945 -2.278 421 H TRP 80 H TRP 80 -0.753 -5.654 -3.016 422 HA TRP 80 HA TRP 80 0.717 -5.726 -0.470 423 HB2 TRP 80 HB2 TRP 80 1.784 -7.828 -1.061 424 HB3 TRP 80 HB3 TRP 80 0.022 -8.044 -1.185 425 HD1 TRP 80 HD1 TRP 80 3.107 -7.731 -3.230 426 HE1 TRP 80 HE1 TRP 80 2.652 -8.739 -5.697 427 HE3 TRP 80 HE3 TRP 80 -1.899 -8.496 -2.795 428 HZ2 TRP 80 HZ2 TRP 80 0.437 -9.665 -7.064 429 HZ3 TRP 80 HZ3 TRP 80 -3.151 -9.421 -4.646 430 HH2 TRP 80 HH2 TRP 80 -2.062 -10.018 -6.765 431 H VAL 81 H VAL 81 3.074 -5.641 -0.733 432 HA VAL 81 HA VAL 81 3.807 -3.725 -2.762 433 HB VAL 81 HB VAL 81 5.513 -5.017 -0.611 434 HG11 VAL 81 HG11 VAL 81 7.059 -3.139 -1.055 435 HG12 VAL 81 HG12 VAL 81 6.842 -4.148 -2.507 436 HG13 VAL 81 HG13 VAL 81 6.005 -2.582 -2.376 437 HG21 VAL 81 HG21 VAL 81 5.233 -2.905 0.586 438 HG22 VAL 81 HG22 VAL 81 4.113 -2.340 -0.676 439 HG23 VAL 81 HG23 VAL 81 3.683 -3.741 0.334 440 H GLU 82 H GLU 82 4.867 -4.105 -4.609 441 HA GLU 82 HA GLU 82 5.130 -6.613 -5.733 442 HB2 GLU 82 HB2 GLU 82 5.151 -4.553 -7.011 443 HB3 GLU 82 HB3 GLU 82 6.741 -4.141 -6.327 444 HG2 GLU 82 HG2 GLU 82 7.718 -6.179 -7.508 445 HG3 GLU 82 HG3 GLU 82 6.057 -6.468 -8.075 446 H GLY 83 H GLY 83 6.601 -8.214 -5.668 447 HA2 GLY 83 HA2 GLY 83 8.713 -9.191 -5.440 448 HA3 GLY 83 HA3 GLY 83 9.317 -7.677 -4.782 449 H TYR 84 H TYR 84 6.557 -8.204 -3.143 450 HA TYR 84 HA TYR 84 7.867 -9.876 -1.100 451 HB2 TYR 84 HB2 TYR 84 6.075 -7.487 -0.692 452 HB3 TYR 84 HB3 TYR 84 6.627 -8.582 0.600 453 HD1 TYR 84 HD1 TYR 84 9.103 -8.723 1.092 454 HD2 TYR 84 HD2 TYR 84 7.464 -5.716 -1.450 455 HE1 TYR 84 HE1 TYR 84 11.166 -7.387 1.359 456 HE2 TYR 84 HE2 TYR 84 9.524 -4.365 -1.193 457 HH TYR 84 HH TYR 84 11.583 -4.222 -0.243 458 H GLU 85 H GLU 85 5.937 -10.535 -3.301 459 HA GLU 85 HA GLU 85 3.563 -11.490 -2.185 460 HB2 GLU 85 HB2 GLU 85 5.377 -12.669 -4.272 461 HB3 GLU 85 HB3 GLU 85 3.795 -13.362 -3.839 462 HG2 GLU 85 HG2 GLU 85 3.202 -12.008 -5.723 463 HG3 GLU 85 HG3 GLU 85 2.939 -10.995 -4.284 464 H GLU 86 H GLU 86 6.859 -12.506 -1.714 465 HA GLU 86 HA GLU 86 6.466 -14.886 -0.319 466 HB2 GLU 86 HB2 GLU 86 8.650 -13.944 -0.895 467 HB3 GLU 86 HB3 GLU 86 8.400 -12.670 0.323 468 HG2 GLU 86 HG2 GLU 86 8.404 -14.436 2.136 469 HG3 GLU 86 HG3 GLU 86 8.536 -15.616 0.812 470 H HIS 87 H HIS 87 5.789 -11.584 0.583 471 HA HIS 87 HA HIS 87 5.175 -12.361 3.332 472 HB2 HIS 87 HB2 HIS 87 5.297 -9.647 1.975 473 HB3 HIS 87 HB3 HIS 87 4.773 -9.885 3.659 474 HD1 HIS 87 HD1 HIS 87 7.141 -8.118 3.169 475 HD2 HIS 87 HD2 HIS 87 7.554 -12.254 3.862 476 HE1 HIS 87 HE1 HIS 87 9.450 -8.452 3.895 477 H ILE 88 H ILE 88 3.536 -13.390 1.195 478 HA ILE 88 HA ILE 88 0.969 -12.156 1.931 479 HB ILE 88 HB ILE 88 1.655 -14.090 -0.299 480 HG12 ILE 88 HG12 ILE 88 0.548 -11.296 -0.369 481 HG13 ILE 88 HG13 ILE 88 2.261 -11.724 -0.585 482 HG21 ILE 88 HG21 ILE 88 -0.729 -13.931 -0.928 483 HG22 ILE 88 HG22 ILE 88 -0.540 -14.659 0.684 484 HG23 ILE 88 HG23 ILE 88 -1.050 -12.962 0.529 485 HD11 ILE 88 HD11 ILE 88 1.156 -11.362 -2.756 486 HD12 ILE 88 HD12 ILE 88 1.679 -13.053 -2.576 487 HD13 ILE 88 HD13 ILE 88 -0.034 -12.624 -2.361 488 H GLY 89 H GLY 89 -0.302 -13.124 3.375 489 HA2 GLY 89 HA2 GLY 89 -1.388 -14.839 4.490 490 HA3 GLY 89 HA3 GLY 89 -0.454 -15.995 3.551 491 H LYS 90 H LYS 90 1.158 -13.470 5.302 492 HA LYS 90 HA LYS 90 2.364 -15.473 7.050 493 HB2 LYS 90 HB2 LYS 90 4.098 -14.002 7.435 494 HB3 LYS 90 HB3 LYS 90 3.675 -13.751 5.725 495 HG2 LYS 90 HG2 LYS 90 2.599 -11.992 7.943 496 HG3 LYS 90 HG3 LYS 90 4.149 -11.659 7.132 497 HD2 LYS 90 HD2 LYS 90 2.917 -11.694 4.938 498 HD3 LYS 90 HD3 LYS 90 1.396 -11.809 5.859 499 HE2 LYS 90 HE2 LYS 90 1.845 -9.686 6.945 500 HE3 LYS 90 HE3 LYS 90 3.436 -9.583 6.158 501 HZ1 LYS 90 HZ1 LYS 90 1.798 -8.242 5.028 502 HZ2 LYS 90 HZ2 LYS 90 2.308 -9.461 4.040 503 HZ3 LYS 90 HZ3 LYS 90 0.832 -9.555 4.771 504 H GLN 91 H GLN 91 2.871 -14.614 9.350 505 HA GLN 91 HA GLN 91 0.238 -13.953 10.460 506 HB2 GLN 91 HB2 GLN 91 0.952 -15.031 12.485 507 HB3 GLN 91 HB3 GLN 91 1.170 -16.107 11.084 508 HG2 GLN 91 HG2 GLN 91 3.808 -15.416 11.234 509 HG3 GLN 91 HG3 GLN 91 3.060 -14.508 12.569 510 HE21 GLN 91 HE21 GLN 91 5.214 -16.444 12.717 511 HE22 GLN 91 HE22 GLN 91 4.657 -17.739 13.724 512 H LEU 92 H LEU 92 1.925 -11.866 9.498 513 HA LEU 92 HA LEU 92 2.961 -10.619 11.939 514 HB2 LEU 92 HB2 LEU 92 3.244 -9.722 9.076 515 HB3 LEU 92 HB3 LEU 92 4.073 -9.043 10.476 516 HG LEU 92 HG LEU 92 4.478 -11.819 9.364 517 HD11 LEU 92 HD11 LEU 92 6.367 -9.476 9.325 518 HD12 LEU 92 HD12 LEU 92 5.337 -9.926 7.967 519 HD13 LEU 92 HD13 LEU 92 6.573 -11.045 8.544 520 HD21 LEU 92 HD21 LEU 92 5.381 -12.307 11.330 521 HD22 LEU 92 HD22 LEU 92 5.079 -10.673 11.919 522 HD23 LEU 92 HD23 LEU 92 6.576 -11.038 11.061 523 HA PRO 93 HA PRO 93 -0.359 -7.690 12.179 524 HB2 PRO 93 HB2 PRO 93 0.945 -5.572 13.249 525 HB3 PRO 93 HB3 PRO 93 0.557 -7.023 14.183 526 HG2 PRO 93 HG2 PRO 93 3.138 -6.251 12.870 527 HG3 PRO 93 HG3 PRO 93 2.866 -6.925 14.487 528 HD2 PRO 93 HD2 PRO 93 3.679 -8.445 12.404 529 HD3 PRO 93 HD3 PRO 93 2.628 -9.077 13.688 530 H LEU 94 H LEU 94 -0.866 -5.375 11.560 531 HA LEU 94 HA LEU 94 -0.307 -5.055 8.804 532 HB2 LEU 94 HB2 LEU 94 -1.544 -3.374 10.856 533 HB3 LEU 94 HB3 LEU 94 -1.563 -2.795 9.176 534 HG LEU 94 HG LEU 94 -2.858 -5.344 10.217 535 HD11 LEU 94 HD11 LEU 94 -5.006 -4.179 9.649 536 HD12 LEU 94 HD12 LEU 94 -4.082 -3.272 10.869 537 HD13 LEU 94 HD13 LEU 94 -4.078 -2.737 9.172 538 HD21 LEU 94 HD21 LEU 94 -3.803 -5.549 7.945 539 HD22 LEU 94 HD22 LEU 94 -2.847 -4.135 7.438 540 HD23 LEU 94 HD23 LEU 94 -2.025 -5.626 7.958 541 H ASN 95 H ASN 95 1.050 -3.665 11.707 542 HA ASN 95 HA ASN 95 2.466 -1.542 10.474 543 HB2 ASN 95 HB2 ASN 95 3.083 -2.836 13.224 544 HB3 ASN 95 HB3 ASN 95 3.847 -1.572 12.230 545 HD21 ASN 95 HD21 ASN 95 2.492 -1.526 14.877 546 HD22 ASN 95 HD22 ASN 95 1.283 -0.293 14.742 547 H GLN 96 H GLN 96 3.295 -4.894 11.225 548 HA GLN 96 HA GLN 96 5.923 -4.544 9.991 549 HB2 GLN 96 HB2 GLN 96 4.740 -6.920 11.419 550 HB3 GLN 96 HB3 GLN 96 6.411 -6.786 10.818 551 HG2 GLN 96 HG2 GLN 96 5.293 -5.133 13.248 552 HG3 GLN 96 HG3 GLN 96 6.342 -6.549 13.004 553 HE21 GLN 96 HE21 GLN 96 6.293 -3.270 13.540 554 HE22 GLN 96 HE22 GLN 96 7.869 -2.857 12.949 555 H ALA 97 H ALA 97 3.198 -4.733 8.614 556 HA ALA 97 HA ALA 97 3.784 -7.032 6.870 557 HB1 ALA 97 HB1 ALA 97 1.637 -7.406 7.605 558 HB2 ALA 97 HB2 ALA 97 1.239 -5.689 7.656 559 HB3 ALA 97 HB3 ALA 97 1.339 -6.524 6.107 560 H ARG 98 H ARG 98 4.370 -6.682 4.811 561 HA ARG 98 HA ARG 98 4.160 -3.994 3.694 562 HB2 ARG 98 HB2 ARG 98 5.569 -6.414 2.707 563 HB3 ARG 98 HB3 ARG 98 5.393 -4.908 1.777 564 HG2 ARG 98 HG2 ARG 98 6.600 -3.674 3.505 565 HG3 ARG 98 HG3 ARG 98 6.733 -5.152 4.488 566 HD2 ARG 98 HD2 ARG 98 8.144 -6.161 2.853 567 HD3 ARG 98 HD3 ARG 98 7.931 -4.771 1.763 568 HE ARG 98 HE ARG 98 9.600 -3.575 3.145 569 HH11 ARG 98 HH11 ARG 98 8.670 -6.555 4.699 570 HH12 ARG 98 HH12 ARG 98 10.022 -6.408 5.805 571 HH21 ARG 98 HH21 ARG 98 11.148 -3.387 4.411 572 HH22 ARG 98 HH22 ARG 98 11.435 -4.601 5.642 573 H ALA 99 H ALA 99 1.690 -5.057 4.096 574 HA ALA 99 HA ALA 99 0.610 -4.948 1.457 575 HB1 ALA 99 HB1 ALA 99 0.561 -7.574 2.921 576 HB2 ALA 99 HB2 ALA 99 -0.595 -7.168 1.652 577 HB3 ALA 99 HB3 ALA 99 1.127 -7.242 1.282 578 H TRP 100 H TRP 100 -1.451 -4.210 1.488 579 HA TRP 100 HA TRP 100 -2.943 -4.363 4.013 580 HB2 TRP 100 HB2 TRP 100 -2.818 -1.870 2.309 581 HB3 TRP 100 HB3 TRP 100 -3.586 -2.053 3.885 582 HD1 TRP 100 HD1 TRP 100 -2.111 -1.658 5.992 583 HE1 TRP 100 HE1 TRP 100 0.347 -0.990 6.364 584 HE3 TRP 100 HE3 TRP 100 -0.391 -2.211 1.211 585 HZ2 TRP 100 HZ2 TRP 100 2.703 -0.731 4.830 586 HZ3 TRP 100 HZ3 TRP 100 1.978 -1.732 0.747 587 HH2 TRP 100 HH2 TRP 100 3.491 -1.007 2.520 588 H SER 101 H SER 101 -5.274 -3.914 3.740 589 HA SER 101 HA SER 101 -6.206 -5.223 1.308 590 HB2 SER 101 HB2 SER 101 -8.296 -5.538 2.470 591 HB3 SER 101 HB3 SER 101 -6.938 -6.067 3.489 592 HG SER 101 HG SER 101 -8.470 -4.809 4.635 593 H TRP 102 H TRP 102 -7.828 -4.379 -0.037 594 HA TRP 102 HA TRP 102 -7.985 -1.623 -0.473 595 HB2 TRP 102 HB2 TRP 102 -9.562 -3.994 -1.342 596 HB3 TRP 102 HB3 TRP 102 -10.289 -2.406 -1.570 597 HD1 TRP 102 HD1 TRP 102 -8.514 -4.753 -3.540 598 HE1 TRP 102 HE1 TRP 102 -7.131 -3.650 -5.410 599 HE3 TRP 102 HE3 TRP 102 -8.465 0.050 -1.789 600 HZ2 TRP 102 HZ2 TRP 102 -6.147 -1.084 -6.056 601 HZ3 TRP 102 HZ3 TRP 102 -7.280 1.769 -3.091 602 HH2 TRP 102 HH2 TRP 102 -6.145 1.210 -5.182 603 H GLU 103 H GLU 103 -9.854 -3.741 1.604 604 HA GLU 103 HA GLU 103 -11.895 -1.878 2.249 605 HB2 GLU 103 HB2 GLU 103 -10.841 -4.303 3.677 606 HB3 GLU 103 HB3 GLU 103 -12.210 -3.335 4.274 607 HG2 GLU 103 HG2 GLU 103 -13.490 -3.898 2.160 608 HG3 GLU 103 HG3 GLU 103 -12.013 -4.744 1.645 609 H PHE 104 H PHE 104 -8.744 -2.617 3.657 610 HA PHE 104 HA PHE 104 -8.893 -0.828 5.832 611 HB2 PHE 104 HB2 PHE 104 -7.150 -2.526 5.763 612 HB3 PHE 104 HB3 PHE 104 -6.474 -1.811 4.281 613 HD1 PHE 104 HD1 PHE 104 -7.066 -1.214 7.888 614 HD2 PHE 104 HD2 PHE 104 -4.927 -0.083 4.368 615 HE1 PHE 104 HE1 PHE 104 -5.568 0.200 9.255 616 HE2 PHE 104 HE2 PHE 104 -3.425 1.331 5.731 617 HZ PHE 104 HZ PHE 104 -3.747 1.474 8.176 618 H ILE 105 H ILE 105 -7.697 -0.429 2.517 619 HA ILE 105 HA ILE 105 -6.920 2.259 2.725 620 HB ILE 105 HB ILE 105 -7.877 0.663 0.337 621 HG12 ILE 105 HG12 ILE 105 -5.122 1.633 1.021 622 HG13 ILE 105 HG13 ILE 105 -5.765 0.059 1.542 623 HG21 ILE 105 HG21 ILE 105 -6.958 2.493 -1.047 624 HG22 ILE 105 HG22 ILE 105 -8.305 3.069 -0.041 625 HG23 ILE 105 HG23 ILE 105 -6.630 3.441 0.421 626 HD11 ILE 105 HD11 ILE 105 -4.399 -0.170 -0.494 627 HD12 ILE 105 HD12 ILE 105 -6.100 -0.586 -0.812 628 HD13 ILE 105 HD13 ILE 105 -5.456 0.988 -1.334 629 H LYS 106 H LYS 106 -10.032 0.786 1.914 630 HA LYS 106 HA LYS 106 -11.426 3.189 1.413 631 HB2 LYS 106 HB2 LYS 106 -12.316 0.462 2.299 632 HB3 LYS 106 HB3 LYS 106 -13.456 1.802 2.027 633 HG2 LYS 106 HG2 LYS 106 -12.858 1.927 -0.304 634 HG3 LYS 106 HG3 LYS 106 -11.534 0.759 -0.076 635 HD2 LYS 106 HD2 LYS 106 -13.388 -0.401 -1.087 636 HD3 LYS 106 HD3 LYS 106 -13.237 -0.947 0.600 637 HE2 LYS 106 HE2 LYS 106 -15.036 0.561 1.273 638 HE3 LYS 106 HE3 LYS 106 -15.165 1.176 -0.391 639 HZ1 LYS 106 HZ1 LYS 106 -16.840 -0.479 0.078 640 HZ2 LYS 106 HZ2 LYS 106 -15.810 -1.030 -1.086 641 HZ3 LYS 106 HZ3 LYS 106 -15.691 -1.601 0.457 642 H ASN 107 H ASN 107 -10.791 1.359 4.360 643 HA ASN 107 HA ASN 107 -12.479 2.806 6.081 644 HB2 ASN 107 HB2 ASN 107 -9.950 1.204 6.889 645 HB3 ASN 107 HB3 ASN 107 -11.116 2.225 7.764 646 HD21 ASN 107 HD21 ASN 107 -10.488 -0.671 7.891 647 HD22 ASN 107 HD22 ASN 107 -12.007 -1.475 7.670 648 H ARG 108 H ARG 108 -9.163 3.347 5.018 649 HA ARG 108 HA ARG 108 -8.660 5.553 6.742 650 HB2 ARG 108 HB2 ARG 108 -7.293 4.673 4.259 651 HB3 ARG 108 HB3 ARG 108 -6.804 6.083 5.229 652 HG2 ARG 108 HG2 ARG 108 -6.954 3.227 6.243 653 HG3 ARG 108 HG3 ARG 108 -5.465 4.054 5.724 654 HD2 ARG 108 HD2 ARG 108 -5.845 5.719 7.491 655 HD3 ARG 108 HD3 ARG 108 -7.230 4.750 8.048 656 HE ARG 108 HE ARG 108 -4.774 3.144 8.122 657 HH11 ARG 108 HH11 ARG 108 -6.425 5.693 9.836 658 HH12 ARG 108 HH12 ARG 108 -5.657 5.194 11.330 659 HH21 ARG 108 HH21 ARG 108 -3.880 2.566 9.823 660 HH22 ARG 108 HH22 ARG 108 -4.204 3.411 11.325 661 H LEU 109 H LEU 109 -9.845 5.246 3.426 662 HA LEU 109 HA LEU 109 -10.074 7.998 2.869 663 HB2 LEU 109 HB2 LEU 109 -11.501 5.605 1.977 664 HB3 LEU 109 HB3 LEU 109 -11.894 7.152 1.193 665 HG LEU 109 HG LEU 109 -9.176 5.783 1.201 666 HD11 LEU 109 HD11 LEU 109 -9.601 5.481 -1.253 667 HD12 LEU 109 HD12 LEU 109 -10.838 4.654 -0.275 668 HD13 LEU 109 HD13 LEU 109 -11.210 6.214 -1.048 669 HD21 LEU 109 HD21 LEU 109 -8.514 7.554 -0.389 670 HD22 LEU 109 HD22 LEU 109 -10.102 8.328 -0.162 671 HD23 LEU 109 HD23 LEU 109 -8.969 8.198 1.206 672 H LYS 110 H LYS 110 -12.215 5.711 4.479 673 HA LYS 110 HA LYS 110 -14.422 7.450 4.795 674 HB2 LYS 110 HB2 LYS 110 -13.482 5.051 6.337 675 HB3 LYS 110 HB3 LYS 110 -14.965 5.942 6.751 676 HG2 LYS 110 HG2 LYS 110 -15.928 5.433 4.575 677 HG3 LYS 110 HG3 LYS 110 -14.420 4.638 4.064 678 HD2 LYS 110 HD2 LYS 110 -14.700 2.941 5.809 679 HD3 LYS 110 HD3 LYS 110 -16.183 3.749 6.372 680 HE2 LYS 110 HE2 LYS 110 -17.238 3.345 4.191 681 HE3 LYS 110 HE3 LYS 110 -15.756 2.545 3.620 682 HZ1 LYS 110 HZ1 LYS 110 -17.399 0.955 4.349 683 HZ2 LYS 110 HZ2 LYS 110 -16.072 0.883 5.327 684 HZ3 LYS 110 HZ3 LYS 110 -17.447 1.626 5.856 685 H GLU 111 H GLU 111 -11.478 6.953 6.652 686 HA GLU 111 HA GLU 111 -12.162 8.715 8.779 687 HB2 GLU 111 HB2 GLU 111 -9.536 7.712 7.721 688 HB3 GLU 111 HB3 GLU 111 -9.663 8.814 9.113 689 HG2 GLU 111 HG2 GLU 111 -11.001 7.049 10.347 690 HG3 GLU 111 HG3 GLU 111 -10.876 6.094 8.852 691 H LEU 112 H LEU 112 -11.130 9.179 5.534 692 HA LEU 112 HA LEU 112 -10.387 11.960 6.005 693 HB2 LEU 112 HB2 LEU 112 -10.524 10.278 3.605 694 HB3 LEU 112 HB3 LEU 112 -9.903 11.941 3.489 695 HG LEU 112 HG LEU 112 -8.660 9.629 5.031 696 HD11 LEU 112 HD11 LEU 112 -6.773 9.923 3.402 697 HD12 LEU 112 HD12 LEU 112 -8.294 9.534 2.567 698 HD13 LEU 112 HD13 LEU 112 -7.695 11.210 2.590 699 HD21 LEU 112 HD21 LEU 112 -6.824 11.200 5.546 700 HD22 LEU 112 HD22 LEU 112 -7.753 12.511 4.778 701 HD23 LEU 112 HD23 LEU 112 -8.382 11.713 6.240 702 H ASN 113 H ASN 113 -13.189 10.651 6.141 703 HA ASN 113 HA ASN 113 -14.516 12.682 4.469 704 HB2 ASN 113 HB2 ASN 113 -15.053 10.142 3.752 705 HB3 ASN 113 HB3 ASN 113 -15.624 10.254 5.435 706 HD21 ASN 113 HD21 ASN 113 -17.033 9.661 2.912 707 HD22 ASN 113 HD22 ASN 113 -18.334 10.801 2.829 708 H LEU 114 H LEU 114 -14.592 14.230 6.096 709 HA LEU 114 HA LEU 114 -16.174 13.517 8.477 710 HB2 LEU 114 HB2 LEU 114 -14.167 15.612 8.036 711 HB3 LEU 114 HB3 LEU 114 -14.985 15.464 9.609 712 HG LEU 114 HG LEU 114 -13.096 13.445 8.338 713 HD11 LEU 114 HD11 LEU 114 -11.639 13.980 10.310 714 HD12 LEU 114 HD12 LEU 114 -11.956 15.430 9.328 715 HD13 LEU 114 HD13 LEU 114 -12.840 15.176 10.852 716 HD21 LEU 114 HD21 LEU 114 -13.348 12.165 10.436 717 HD22 LEU 114 HD22 LEU 114 -14.586 13.327 10.974 718 HD23 LEU 114 HD23 LEU 114 -14.877 12.319 9.538
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