NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
548409 | 2lxd | 16779 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H TYR 1 HT1 TYR 1 -8.601 -27.435 4.369 2 HA TYR 1 HA TYR 1 -9.289 -25.365 5.386 3 HB2 TYR 1 HB2 TYR 1 -8.628 -25.267 2.438 4 HB3 TYR 1 HB1 TYR 1 -8.613 -23.847 3.477 5 HD1 TYR 1 HD2 TYR 1 -6.919 -26.984 2.641 6 HD2 TYR 1 HD1 TYR 1 -6.872 -23.546 5.146 7 HE1 TYR 1 HE2 TYR 1 -4.601 -27.492 3.286 8 HE2 TYR 1 HE1 TYR 1 -4.554 -24.043 5.797 9 HH TYR 1 HH TYR 1 -3.043 -25.979 5.893 10 H LEU 2 HN LEU 2 -10.827 -23.895 5.740 11 HA LEU 2 HA LEU 2 -13.258 -24.024 4.103 12 HB2 LEU 2 HB2 LEU 2 -12.762 -22.957 6.884 13 HB3 LEU 2 HB1 LEU 2 -14.289 -22.788 6.040 14 HG LEU 2 HG LEU 2 -14.094 -25.428 5.869 15 HD11 LEU 2 HD11 LEU 2 -12.513 -24.786 8.356 16 HD12 LEU 2 HD12 LEU 2 -11.894 -25.574 6.905 17 HD13 LEU 2 HD13 LEU 2 -13.111 -26.380 7.895 18 HD21 LEU 2 HD21 LEU 2 -15.926 -24.224 6.909 19 HD22 LEU 2 HD22 LEU 2 -14.946 -23.934 8.346 20 HD23 LEU 2 HD23 LEU 2 -15.428 -25.577 7.924 21 H ARG 3 HN ARG 3 -13.991 -22.342 2.953 22 HA ARG 3 HA ARG 3 -12.292 -20.167 2.336 23 HB2 ARG 3 HB2 ARG 3 -14.266 -19.312 1.017 24 HB3 ARG 3 HB1 ARG 3 -13.725 -20.930 0.609 25 HG2 ARG 3 HG2 ARG 3 -15.583 -21.868 1.923 26 HG3 ARG 3 HG1 ARG 3 -16.132 -20.231 2.289 27 HD2 ARG 3 HD2 ARG 3 -16.459 -19.806 -0.096 28 HD3 ARG 3 HD1 ARG 3 -15.894 -21.434 -0.468 29 HE ARG 3 HE ARG 3 -18.059 -21.558 1.338 30 HH11 ARG 3 HH11 ARG 3 -17.417 -20.881 -2.048 31 HH12 ARG 3 HH12 ARG 3 -18.993 -21.377 -2.564 32 HH21 ARG 3 HH21 ARG 3 -20.116 -22.203 0.639 33 HH22 ARG 3 HH22 ARG 3 -20.520 -22.124 -1.044 34 H LEU 4 HN LEU 4 -12.573 -17.927 2.624 35 HA LEU 4 HA LEU 4 -14.310 -17.131 4.866 36 HB2 LEU 4 HB2 LEU 4 -11.433 -16.346 4.401 37 HB3 LEU 4 HB1 LEU 4 -12.488 -15.532 5.538 38 HG LEU 4 HG LEU 4 -12.757 -18.046 6.443 39 HD11 LEU 4 HD11 LEU 4 -10.590 -19.169 6.403 40 HD12 LEU 4 HD12 LEU 4 -9.961 -17.928 5.320 41 HD13 LEU 4 HD13 LEU 4 -11.252 -19.000 4.777 42 HD21 LEU 4 HD21 LEU 4 -11.059 -17.479 8.124 43 HD22 LEU 4 HD22 LEU 4 -12.131 -16.121 7.781 44 HD23 LEU 4 HD23 LEU 4 -10.503 -16.153 7.102 45 H PHE 5 HN PHE 5 -15.049 -14.974 4.850 46 HA PHE 5 HA PHE 5 -15.124 -13.782 2.172 47 HB2 PHE 5 HB2 PHE 5 -16.900 -13.439 4.592 48 HB3 PHE 5 HB1 PHE 5 -17.041 -12.440 3.150 49 HD1 PHE 5 HD2 PHE 5 -17.568 -15.763 4.575 50 HD2 PHE 5 HD1 PHE 5 -17.911 -13.352 1.084 51 HE1 PHE 5 HE2 PHE 5 -19.035 -17.454 3.556 52 HE2 PHE 5 HE1 PHE 5 -19.379 -15.039 0.059 53 HZ PHE 5 HZ PHE 5 -19.943 -17.094 1.295 54 H GLY 6 HN GLY 6 -14.131 -11.935 1.714 55 HA2 GLY 6 HA2 GLY 6 -13.695 -9.604 2.434 56 HA3 GLY 6 HA1 GLY 6 -13.132 -10.282 3.954 57 H GLN 7 HN GLN 7 -11.056 -9.596 3.941 58 HA GLN 7 HA GLN 7 -9.361 -10.441 1.683 59 HB2 GLN 7 HB2 GLN 7 -9.268 -8.030 3.455 60 HB3 GLN 7 HB1 GLN 7 -7.783 -8.627 2.724 61 HG2 GLN 7 HG2 GLN 7 -8.785 -8.393 0.506 62 HG3 GLN 7 HG1 GLN 7 -10.272 -7.798 1.243 63 HE21 GLN 7 HE21 GLN 7 -10.325 -5.736 2.115 64 HE22 GLN 7 HE22 GLN 7 -9.105 -4.559 1.783 65 H ASP 8 HN ASP 8 -7.209 -11.125 2.167 66 HA ASP 8 HA ASP 8 -7.047 -12.613 4.684 67 HB2 ASP 8 HB2 ASP 8 -5.580 -12.860 2.061 68 HB3 ASP 8 HB1 ASP 8 -5.128 -13.775 3.495 69 H GLY 9 HN GLY 9 -5.833 -9.779 3.274 70 HA2 GLY 9 HA2 GLY 9 -3.292 -9.843 4.716 71 HA3 GLY 9 HA1 GLY 9 -3.807 -8.615 3.572 72 H LEU 10 HN LEU 10 -4.279 -9.841 6.841 73 HA LEU 10 HA LEU 10 -5.787 -7.603 7.785 74 HB2 LEU 10 HB2 LEU 10 -4.344 -9.844 9.187 75 HB3 LEU 10 HB1 LEU 10 -5.183 -8.579 10.064 76 HG LEU 10 HG LEU 10 -7.154 -9.392 8.394 77 HD11 LEU 10 HD11 LEU 10 -5.536 -11.855 9.026 78 HD12 LEU 10 HD12 LEU 10 -5.800 -11.170 7.423 79 HD13 LEU 10 HD13 LEU 10 -7.158 -11.830 8.334 80 HD21 LEU 10 HD21 LEU 10 -7.426 -9.096 10.754 81 HD22 LEU 10 HD22 LEU 10 -6.394 -10.485 11.096 82 HD23 LEU 10 HD23 LEU 10 -7.966 -10.723 10.335 83 H CYS 11 HN CYS 11 -5.091 -6.117 9.498 84 HA CYS 11 HA CYS 11 -2.525 -4.952 8.866 85 HB2 CYS 11 HB2 CYS 11 -4.552 -3.572 9.200 86 HB3 CYS 11 HB1 CYS 11 -4.604 -4.085 10.880 87 H ALA 12 HN ALA 12 -0.826 -5.903 9.678 88 HA ALA 12 HA ALA 12 -0.695 -7.407 12.065 89 HB1 ALA 12 HB1 ALA 12 1.823 -7.209 11.662 90 HB2 ALA 12 HB2 ALA 12 1.379 -6.333 10.197 91 HB3 ALA 12 HB3 ALA 12 0.840 -7.994 10.427 92 H SER 13 HN SER 13 -0.780 -4.040 11.779 93 HA SER 13 HA SER 13 0.936 -3.544 14.085 94 HB2 SER 13 HB2 SER 13 1.120 -1.977 12.232 95 HB3 SER 13 HB1 SER 13 -0.602 -1.614 12.328 96 HG SER 13 HG SER 13 1.303 -0.355 13.547 97 H CYS 14 HN CYS 14 -2.495 -2.992 13.197 98 HA CYS 14 HA CYS 14 -3.097 -2.615 16.044 99 HB2 CYS 14 HB2 CYS 14 -5.105 -1.509 15.402 100 HB3 CYS 14 HB1 CYS 14 -3.831 -0.884 14.364 101 H ASP 15 HN ASP 15 -3.030 -5.091 13.883 102 HA ASP 15 HA ASP 15 -3.932 -7.164 13.689 103 HB2 ASP 15 HB2 ASP 15 -4.497 -6.660 16.619 104 HB3 ASP 15 HB1 ASP 15 -4.767 -8.216 15.842 105 H LYS 16 HN LYS 16 -5.546 -5.281 12.617 106 HA LYS 16 HA LYS 16 -8.258 -6.224 13.277 107 HB2 LYS 16 HB2 LYS 16 -7.795 -3.804 13.836 108 HB3 LYS 16 HB1 LYS 16 -7.568 -3.516 12.129 109 HG2 LYS 16 HG2 LYS 16 -9.865 -4.112 11.674 110 HG3 LYS 16 HG1 LYS 16 -10.108 -4.546 13.364 111 HD2 LYS 16 HD2 LYS 16 -9.668 -2.226 14.020 112 HD3 LYS 16 HD1 LYS 16 -9.431 -1.796 12.325 113 HE2 LYS 16 HE2 LYS 16 -11.739 -2.454 11.840 114 HE3 LYS 16 HE1 LYS 16 -11.974 -2.882 13.534 115 HZ1 LYS 16 HZ1 LYS 16 -11.349 -0.166 12.504 116 HZ2 LYS 16 HZ2 LYS 16 -11.564 -0.573 14.131 117 HZ3 LYS 16 HZ3 LYS 16 -12.861 -0.693 13.052 118 H ARG 17 HN ARG 17 -9.671 -6.594 11.551 119 HA ARG 17 HA ARG 17 -8.532 -7.730 9.236 120 HB2 ARG 17 HB2 ARG 17 -11.415 -6.969 9.742 121 HB3 ARG 17 HB1 ARG 17 -10.849 -8.048 8.476 122 HG2 ARG 17 HG2 ARG 17 -9.891 -9.470 10.375 123 HG3 ARG 17 HG1 ARG 17 -10.911 -8.503 11.438 124 HD2 ARG 17 HD2 ARG 17 -12.880 -9.151 10.147 125 HD3 ARG 17 HD1 ARG 17 -11.865 -10.108 9.068 126 HE ARG 17 HE ARG 17 -11.476 -10.953 11.727 127 HH11 ARG 17 HH11 ARG 17 -13.907 -11.112 9.198 128 HH12 ARG 17 HH12 ARG 17 -14.588 -12.592 9.788 129 HH21 ARG 17 HH21 ARG 17 -12.383 -12.889 12.480 130 HH22 ARG 17 HH22 ARG 17 -13.725 -13.595 11.644 131 H ILE 18 HN ILE 18 -7.919 -6.869 7.376 132 HA ILE 18 HA ILE 18 -8.532 -4.086 6.778 133 HB ILE 18 HB ILE 18 -6.590 -6.098 5.638 134 HG12 ILE 18 HG12 ILE 18 -6.281 -3.344 6.865 135 HG13 ILE 18 HG11 ILE 18 -5.955 -4.874 7.672 136 HG21 ILE 18 HG21 ILE 18 -6.055 -4.869 3.769 137 HG22 ILE 18 HG22 ILE 18 -6.678 -3.363 4.443 138 HG23 ILE 18 HG23 ILE 18 -7.796 -4.589 3.841 139 HD11 ILE 18 HD11 ILE 18 -4.422 -3.818 5.301 140 HD12 ILE 18 HD12 ILE 18 -4.078 -5.293 6.204 141 HD13 ILE 18 HD13 ILE 18 -3.906 -3.721 6.984 142 H ARG 19 HN ARG 19 -10.572 -3.906 6.072 143 HA ARG 19 HA ARG 19 -11.295 -5.151 3.537 144 HB2 ARG 19 HB2 ARG 19 -12.110 -6.481 5.710 145 HB3 ARG 19 HB1 ARG 19 -13.400 -5.292 5.652 146 HG2 ARG 19 HG2 ARG 19 -12.801 -6.714 3.123 147 HG3 ARG 19 HG1 ARG 19 -13.536 -7.659 4.418 148 HD2 ARG 19 HD2 ARG 19 -15.355 -6.037 4.576 149 HD3 ARG 19 HD1 ARG 19 -14.616 -5.075 3.297 150 HE ARG 19 HE ARG 19 -14.996 -7.663 2.320 151 HH11 ARG 19 HH11 ARG 19 -16.976 -4.942 3.327 152 HH12 ARG 19 HH12 ARG 19 -18.287 -5.360 2.276 153 HH21 ARG 19 HH21 ARG 19 -16.725 -8.190 0.952 154 HH22 ARG 19 HH22 ARG 19 -18.145 -7.198 0.933 155 H ALA 20 HN ALA 20 -13.181 -4.221 2.530 156 HA ALA 20 HA ALA 20 -14.383 -2.519 1.683 157 HB1 ALA 20 HB1 ALA 20 -15.876 -1.341 3.162 158 HB2 ALA 20 HB2 ALA 20 -14.888 -1.773 4.557 159 HB3 ALA 20 HB3 ALA 20 -15.745 -3.028 3.661 160 H TYR 21 HN TYR 21 -13.126 -0.708 4.512 161 HA TYR 21 HA TYR 21 -12.669 1.636 2.972 162 HB2 TYR 21 HB2 TYR 21 -13.148 1.371 5.519 163 HB3 TYR 21 HB1 TYR 21 -11.409 1.151 5.661 164 HD1 TYR 21 HD1 TYR 21 -14.039 3.537 4.593 165 HD2 TYR 21 HD2 TYR 21 -9.939 3.007 5.606 166 HE1 TYR 21 HE1 TYR 21 -13.744 5.977 4.653 167 HE2 TYR 21 HE2 TYR 21 -9.635 5.447 5.669 168 HH TYR 21 HH TYR 21 -12.233 7.625 5.677 169 H GLU 22 HN GLU 22 -10.301 -0.380 4.732 170 HA GLU 22 HA GLU 22 -8.021 -0.443 4.591 171 HB2 GLU 22 HB2 GLU 22 -7.332 -1.690 2.464 172 HB3 GLU 22 HB1 GLU 22 -8.512 -2.438 3.522 173 HG2 GLU 22 HG2 GLU 22 -9.718 -2.793 1.687 174 HG3 GLU 22 HG1 GLU 22 -10.080 -1.069 1.721 175 H MET 23 HN MET 23 -8.347 0.337 1.122 176 HA MET 23 HA MET 23 -7.199 1.765 -0.224 177 HB2 MET 23 HB2 MET 23 -7.943 3.582 2.063 178 HB3 MET 23 HB1 MET 23 -7.160 4.185 0.611 179 HG2 MET 23 HG2 MET 23 -9.024 3.357 -0.737 180 HG3 MET 23 HG1 MET 23 -9.811 2.763 0.724 181 HE1 MET 23 HE1 MET 23 -12.022 4.105 0.092 182 HE2 MET 23 HE2 MET 23 -11.235 4.683 -1.376 183 HE3 MET 23 HE3 MET 23 -12.038 5.825 -0.298 184 H THR 24 HN THR 24 -5.411 0.200 0.701 185 HA THR 24 HA THR 24 -3.126 1.896 1.444 186 HB THR 24 HB THR 24 -2.222 -0.074 2.752 187 HG1 THR 24 HG1 THR 24 -3.449 -1.791 3.020 188 HG21 THR 24 HG21 THR 24 -3.408 2.015 3.691 189 HG22 THR 24 HG22 THR 24 -3.218 0.617 4.743 190 HG23 THR 24 HG23 THR 24 -4.772 0.933 3.973 191 H MET 25 HN MET 25 -1.013 0.859 1.003 192 HA MET 25 HA MET 25 -1.032 -0.452 -1.608 193 HB2 MET 25 HB2 MET 25 0.344 1.624 -1.111 194 HB3 MET 25 HB1 MET 25 1.331 0.632 -0.052 195 HG2 MET 25 HG2 MET 25 1.592 -0.852 -2.207 196 HG3 MET 25 HG1 MET 25 1.161 0.645 -3.028 197 HE1 MET 25 HE1 MET 25 3.759 -1.363 -1.078 198 HE2 MET 25 HE2 MET 25 3.496 -0.170 0.196 199 HE3 MET 25 HE3 MET 25 5.027 -0.204 -0.679 200 H ARG 26 HN ARG 26 0.479 -2.249 -2.012 201 HA ARG 26 HA ARG 26 0.379 -4.213 0.117 202 HB2 ARG 26 HB2 ARG 26 -0.042 -4.507 -2.486 203 HB3 ARG 26 HB1 ARG 26 1.697 -4.759 -2.512 204 HG2 ARG 26 HG2 ARG 26 1.474 -6.603 -0.946 205 HG3 ARG 26 HG1 ARG 26 -0.268 -6.333 -0.859 206 HD2 ARG 26 HD2 ARG 26 -0.467 -6.827 -3.243 207 HD3 ARG 26 HD1 ARG 26 1.275 -7.080 -3.341 208 HE ARG 26 HE ARG 26 0.320 -8.782 -1.373 209 HH11 ARG 26 HH11 ARG 26 -0.095 -8.400 -4.839 210 HH12 ARG 26 HH12 ARG 26 -0.413 -10.082 -5.102 211 HH21 ARG 26 HH21 ARG 26 -0.098 -10.980 -1.741 212 HH22 ARG 26 HH22 ARG 26 -0.415 -11.540 -3.349 213 H VAL 27 HN VAL 27 1.932 -4.363 1.566 214 HA VAL 27 HA VAL 27 4.575 -3.256 1.065 215 HB VAL 27 HB VAL 27 3.911 -4.595 3.672 216 HG11 VAL 27 HG11 VAL 27 5.482 -2.152 2.867 217 HG12 VAL 27 HG12 VAL 27 6.094 -3.666 3.533 218 HG13 VAL 27 HG13 VAL 27 5.143 -2.580 4.542 219 HG21 VAL 27 HG21 VAL 27 2.744 -2.650 4.510 220 HG22 VAL 27 HG22 VAL 27 1.883 -3.297 3.116 221 HG23 VAL 27 HG23 VAL 27 2.879 -1.853 2.945 222 H LYS 28 HN LYS 28 6.381 -4.714 2.333 223 HA LYS 28 HA LYS 28 7.096 -6.752 0.629 224 HB2 LYS 28 HB2 LYS 28 7.939 -6.139 3.446 225 HB3 LYS 28 HB1 LYS 28 8.639 -7.481 2.554 226 HG2 LYS 28 HG2 LYS 28 9.399 -5.931 0.820 227 HG3 LYS 28 HG1 LYS 28 8.702 -4.585 1.724 228 HD2 LYS 28 HD2 LYS 28 10.196 -5.072 3.601 229 HD3 LYS 28 HD1 LYS 28 10.888 -6.424 2.703 230 HE2 LYS 28 HE2 LYS 28 10.921 -3.594 1.679 231 HE3 LYS 28 HE1 LYS 28 12.207 -4.259 2.684 232 HZ1 LYS 28 HZ1 LYS 28 12.751 -4.426 0.341 233 HZ2 LYS 28 HZ2 LYS 28 11.347 -5.322 0.046 234 HZ3 LYS 28 HZ3 LYS 28 12.575 -5.970 1.011 235 H ASP 29 HN ASP 29 6.100 -7.448 4.029 236 HA ASP 29 HA ASP 29 5.008 -9.998 3.030 237 HB2 ASP 29 HB2 ASP 29 7.159 -9.971 4.522 238 HB3 ASP 29 HB1 ASP 29 6.019 -9.707 5.837 239 H LYS 30 HN LYS 30 4.665 -7.474 5.510 240 HA LYS 30 HA LYS 30 1.937 -8.428 6.065 241 HB2 LYS 30 HB2 LYS 30 3.710 -6.615 7.709 242 HB3 LYS 30 HB1 LYS 30 2.104 -7.159 8.162 243 HG2 LYS 30 HG2 LYS 30 2.822 -9.384 8.455 244 HG3 LYS 30 HG1 LYS 30 4.351 -9.077 7.632 245 HD2 LYS 30 HD2 LYS 30 4.768 -7.381 9.542 246 HD3 LYS 30 HD1 LYS 30 3.486 -8.255 10.382 247 HE2 LYS 30 HE2 LYS 30 4.738 -10.342 10.102 248 HE3 LYS 30 HE1 LYS 30 6.018 -9.458 9.271 249 HZ1 LYS 30 HZ1 LYS 30 6.566 -9.843 11.592 250 HZ2 LYS 30 HZ2 LYS 30 5.169 -9.029 12.086 251 HZ3 LYS 30 HZ3 LYS 30 6.400 -8.186 11.289 252 H VAL 31 HN VAL 31 0.193 -7.067 6.003 253 HA VAL 31 HA VAL 31 0.591 -4.498 4.617 254 HB VAL 31 HB VAL 31 -2.063 -5.929 4.859 255 HG11 VAL 31 HG11 VAL 31 -2.166 -3.591 4.185 256 HG12 VAL 31 HG12 VAL 31 -2.632 -4.642 2.849 257 HG13 VAL 31 HG13 VAL 31 -1.030 -3.904 2.872 258 HG21 VAL 31 HG21 VAL 31 -1.703 -6.883 2.628 259 HG22 VAL 31 HG22 VAL 31 -0.533 -7.503 3.794 260 HG23 VAL 31 HG23 VAL 31 -0.050 -6.266 2.633 261 H TYR 32 HN TYR 32 -0.326 -2.611 5.434 262 HA TYR 32 HA TYR 32 -1.622 -2.773 8.074 263 HB2 TYR 32 HB2 TYR 32 0.523 -0.748 7.409 264 HB3 TYR 32 HB1 TYR 32 -0.255 -1.003 8.965 265 HD1 TYR 32 HD1 TYR 32 2.260 -2.237 6.623 266 HD2 TYR 32 HD2 TYR 32 0.392 -2.873 10.383 267 HE1 TYR 32 HE1 TYR 32 4.062 -3.790 7.237 268 HE2 TYR 32 HE2 TYR 32 2.194 -4.417 11.026 269 HH TYR 32 HH TYR 32 3.867 -5.849 9.933 270 H HIS 33 HN HIS 33 -2.966 -1.011 8.632 271 HA HIS 33 HA HIS 33 -4.461 0.149 6.524 272 HB2 HIS 33 HB2 HIS 33 -4.379 0.685 9.496 273 HB3 HIS 33 HB1 HIS 33 -5.482 1.526 8.417 274 HD2 HIS 33 HD2 HIS 33 -7.221 -0.443 6.969 275 HE1 HIS 33 HE1 HIS 33 -7.157 -3.051 10.321 276 HE2 HIS 33 HE2 HIS 33 -8.349 -2.427 8.189 277 H LEU 34 HN LEU 34 -4.820 2.475 6.140 278 HA LEU 34 HA LEU 34 -2.410 3.896 5.716 279 HB2 LEU 34 HB2 LEU 34 -3.876 5.788 5.036 280 HB3 LEU 34 HB1 LEU 34 -4.218 4.283 4.213 281 HG LEU 34 HG LEU 34 -6.020 4.163 6.252 282 HD11 LEU 34 HD11 LEU 34 -5.390 6.405 7.037 283 HD12 LEU 34 HD12 LEU 34 -7.064 6.337 6.484 284 HD13 LEU 34 HD13 LEU 34 -5.826 7.066 5.461 285 HD21 LEU 34 HD21 LEU 34 -6.382 5.479 3.562 286 HD22 LEU 34 HD22 LEU 34 -7.676 4.849 4.580 287 HD23 LEU 34 HD23 LEU 34 -6.477 3.750 3.899 288 H GLU 35 HN GLU 35 -4.997 4.278 8.112 289 HA GLU 35 HA GLU 35 -3.911 6.514 9.475 290 HB2 GLU 35 HB2 GLU 35 -5.846 4.366 10.351 291 HB3 GLU 35 HB1 GLU 35 -5.401 5.723 11.374 292 HG2 GLU 35 HG2 GLU 35 -6.232 7.244 9.570 293 HG3 GLU 35 HG1 GLU 35 -6.842 5.815 8.737 294 H CYS 36 HN CYS 36 -3.289 3.104 9.619 295 HA CYS 36 HA CYS 36 -1.765 3.226 12.090 296 HB2 CYS 36 HB2 CYS 36 -2.055 0.889 10.194 297 HB3 CYS 36 HB1 CYS 36 -1.572 0.840 11.887 298 H PHE 37 HN PHE 37 -1.155 4.030 8.950 299 HA PHE 37 HA PHE 37 1.556 3.015 8.734 300 HB2 PHE 37 HB2 PHE 37 -0.158 3.337 6.816 301 HB3 PHE 37 HB1 PHE 37 0.259 5.042 6.909 302 HD1 PHE 37 HD1 PHE 37 1.591 1.670 6.190 303 HD2 PHE 37 HD2 PHE 37 2.243 5.871 5.938 304 HE1 PHE 37 HE1 PHE 37 3.491 1.281 4.674 305 HE2 PHE 37 HE2 PHE 37 4.150 5.485 4.431 306 HZ PHE 37 HZ PHE 37 4.773 3.189 3.795 307 H LYS 38 HN LYS 38 1.828 4.204 10.924 308 HA LYS 38 HA LYS 38 2.832 6.935 10.438 309 HB2 LYS 38 HB2 LYS 38 1.606 5.795 12.960 310 HB3 LYS 38 HB1 LYS 38 2.377 7.371 12.859 311 HG2 LYS 38 HG2 LYS 38 0.693 8.023 11.155 312 HG3 LYS 38 HG1 LYS 38 -0.116 6.480 11.424 313 HD2 LYS 38 HD2 LYS 38 -0.448 7.064 13.777 314 HD3 LYS 38 HD1 LYS 38 0.367 8.607 13.511 315 HE2 LYS 38 HE2 LYS 38 -1.368 9.234 11.896 316 HE3 LYS 38 HE1 LYS 38 -2.184 7.698 12.181 317 HZ1 LYS 38 HZ1 LYS 38 -1.722 9.815 14.213 318 HZ2 LYS 38 HZ2 LYS 38 -2.503 8.341 14.490 319 HZ3 LYS 38 HZ3 LYS 38 -3.196 9.482 13.451 320 H CYS 39 HN CYS 39 4.606 7.614 11.890 321 HA CYS 39 HA CYS 39 6.761 5.785 11.837 322 HB2 CYS 39 HB2 CYS 39 6.877 8.335 11.713 323 HB3 CYS 39 HB1 CYS 39 6.716 8.319 13.468 324 H ALA 40 HN ALA 40 7.930 4.801 13.493 325 HA ALA 40 HA ALA 40 6.352 3.942 15.761 326 HB1 ALA 40 HB1 ALA 40 9.205 3.160 15.414 327 HB2 ALA 40 HB2 ALA 40 8.008 2.569 14.263 328 HB3 ALA 40 HB3 ALA 40 7.835 2.203 15.980 329 H ALA 41 HN ALA 41 8.747 6.335 15.191 330 HA ALA 41 HA ALA 41 9.362 6.554 18.061 331 HB1 ALA 41 HB1 ALA 41 11.283 6.259 16.547 332 HB2 ALA 41 HB2 ALA 41 11.339 7.791 17.420 333 HB3 ALA 41 HB3 ALA 41 10.845 7.757 15.725 334 H CYS 42 HN CYS 42 8.425 8.480 15.226 335 HA CYS 42 HA CYS 42 7.885 10.805 16.917 336 HB2 CYS 42 HB2 CYS 42 7.530 10.681 13.932 337 HB3 CYS 42 HB1 CYS 42 7.824 12.092 14.943 338 H GLN 43 HN GLN 43 6.233 8.226 15.372 339 HA GLN 43 HA GLN 43 4.076 7.563 15.241 340 HB2 GLN 43 HB2 GLN 43 3.737 9.770 17.253 341 HB3 GLN 43 HB1 GLN 43 2.359 8.850 16.669 342 HG2 GLN 43 HG2 GLN 43 4.758 7.487 17.837 343 HG3 GLN 43 HG1 GLN 43 3.479 8.132 18.863 344 HE21 GLN 43 HE21 GLN 43 4.331 5.727 16.507 345 HE22 GLN 43 HE22 GLN 43 2.944 4.722 16.728 346 H LYS 44 HN LYS 44 5.191 10.259 13.863 347 HA LYS 44 HA LYS 44 2.898 11.633 12.926 348 HB2 LYS 44 HB2 LYS 44 5.453 12.268 12.922 349 HB3 LYS 44 HB1 LYS 44 5.430 11.523 11.332 350 HG2 LYS 44 HG2 LYS 44 3.686 13.087 10.626 351 HG3 LYS 44 HG1 LYS 44 3.713 13.834 12.225 352 HD2 LYS 44 HD2 LYS 44 6.061 14.453 11.888 353 HD3 LYS 44 HD1 LYS 44 6.024 13.713 10.286 354 HE2 LYS 44 HE2 LYS 44 4.292 15.298 9.597 355 HE3 LYS 44 HE1 LYS 44 4.327 16.035 11.198 356 HZ1 LYS 44 HZ1 LYS 44 6.596 15.953 9.282 357 HZ2 LYS 44 HZ2 LYS 44 6.632 16.659 10.819 358 HZ3 LYS 44 HZ3 LYS 44 5.633 17.304 9.616 359 H HIS 45 HN HIS 45 2.232 11.755 10.623 360 HA HIS 45 HA HIS 45 1.946 9.056 9.526 361 HB2 HIS 45 HB2 HIS 45 0.110 10.090 8.134 362 HB3 HIS 45 HB1 HIS 45 -0.173 10.104 9.868 363 HD1 HIS 45 HD1 HIS 45 0.057 12.298 6.932 364 HD2 HIS 45 HD2 HIS 45 0.117 12.725 11.065 365 HE1 HIS 45 HE1 HIS 45 -0.354 14.741 7.362 366 HE2 HIS 45 HE2 HIS 45 -0.393 14.962 9.871 367 H PHE 46 HN PHE 46 2.304 8.571 7.361 368 HA PHE 46 HA PHE 46 4.311 10.276 6.075 369 HB2 PHE 46 HB2 PHE 46 3.577 7.377 5.653 370 HB3 PHE 46 HB1 PHE 46 4.741 8.234 4.664 371 HD1 PHE 46 HD1 PHE 46 4.093 7.671 8.318 372 HD2 PHE 46 HD2 PHE 46 6.944 7.854 5.155 373 HE1 PHE 46 HE1 PHE 46 5.870 7.067 9.895 374 HE2 PHE 46 HE2 PHE 46 8.727 7.254 6.736 375 HZ PHE 46 HZ PHE 46 8.192 6.858 9.109 376 H SER 47 HN SER 47 4.232 10.688 3.834 377 HA SER 47 HA SER 47 1.526 10.639 2.671 378 HB2 SER 47 HB2 SER 47 2.143 12.794 1.537 379 HB3 SER 47 HB1 SER 47 2.027 12.913 3.293 380 HG SER 47 HG SER 47 4.376 12.578 3.269 381 H VAL 48 HN VAL 48 1.418 10.623 0.332 382 HA VAL 48 HA VAL 48 3.144 8.719 -0.852 383 HB VAL 48 HB VAL 48 1.960 9.344 -3.023 384 HG11 VAL 48 HG11 VAL 48 0.352 8.476 -0.628 385 HG12 VAL 48 HG12 VAL 48 1.277 7.446 -1.721 386 HG13 VAL 48 HG13 VAL 48 -0.158 8.288 -2.306 387 HG21 VAL 48 HG21 VAL 48 -0.115 10.645 -2.832 388 HG22 VAL 48 HG22 VAL 48 1.300 11.634 -2.469 389 HG23 VAL 48 HG23 VAL 48 0.283 11.036 -1.158 390 H GLY 49 HN GLY 49 4.915 8.879 -2.090 391 HA2 GLY 49 HA2 GLY 49 6.237 10.025 -3.764 392 HA3 GLY 49 HA1 GLY 49 5.731 11.547 -3.051 393 H ASP 50 HN ASP 50 6.237 10.070 -0.342 394 HA ASP 50 HA ASP 50 9.065 10.827 -0.192 395 HB2 ASP 50 HB2 ASP 50 6.947 10.452 1.929 396 HB3 ASP 50 HB1 ASP 50 8.647 10.707 2.309 397 H ARG 51 HN ARG 51 10.613 9.501 0.815 398 HA ARG 51 HA ARG 51 10.159 6.655 0.444 399 HB2 ARG 51 HB2 ARG 51 12.658 8.213 1.129 400 HB3 ARG 51 HB1 ARG 51 12.610 6.474 0.881 401 HG2 ARG 51 HG2 ARG 51 11.714 6.954 -1.430 402 HG3 ARG 51 HG1 ARG 51 12.124 8.644 -1.138 403 HD2 ARG 51 HD2 ARG 51 14.454 8.019 -0.758 404 HD3 ARG 51 HD1 ARG 51 14.050 6.324 -1.030 405 HE ARG 51 HE ARG 51 13.262 7.871 -3.256 406 HH11 ARG 51 HH11 ARG 51 16.174 6.617 -1.745 407 HH12 ARG 51 HH12 ARG 51 17.065 6.577 -3.230 408 HH21 ARG 51 HH21 ARG 51 14.447 7.810 -5.187 409 HH22 ARG 51 HH22 ARG 51 16.087 7.252 -5.176 410 H TYR 52 HN TYR 52 9.922 5.179 2.017 411 HA TYR 52 HA TYR 52 10.349 6.050 4.798 412 HB2 TYR 52 HB2 TYR 52 8.410 4.868 5.514 413 HB3 TYR 52 HB1 TYR 52 7.926 5.832 4.131 414 HD1 TYR 52 HD2 TYR 52 7.594 4.683 1.905 415 HD2 TYR 52 HD1 TYR 52 8.150 2.502 5.524 416 HE1 TYR 52 HE2 TYR 52 6.656 2.676 0.838 417 HE2 TYR 52 HE1 TYR 52 7.213 0.493 4.462 418 HH TYR 52 HH TYR 52 5.730 -0.078 2.586 419 H LEU 53 HN LEU 53 10.929 4.436 6.322 420 HA LEU 53 HA LEU 53 12.220 2.070 5.135 421 HB2 LEU 53 HB2 LEU 53 13.775 3.855 6.004 422 HB3 LEU 53 HB1 LEU 53 13.124 3.562 7.604 423 HG LEU 53 HG LEU 53 14.140 1.154 6.250 424 HD11 LEU 53 HD11 LEU 53 16.018 3.367 7.060 425 HD12 LEU 53 HD12 LEU 53 15.782 2.737 5.431 426 HD13 LEU 53 HD13 LEU 53 16.493 1.714 6.679 427 HD21 LEU 53 HD21 LEU 53 14.707 2.351 8.958 428 HD22 LEU 53 HD22 LEU 53 15.015 0.693 8.442 429 HD23 LEU 53 HD23 LEU 53 13.357 1.274 8.602 430 H LEU 54 HN LEU 54 11.517 0.172 5.845 431 HA LEU 54 HA LEU 54 9.568 0.083 7.996 432 HB2 LEU 54 HB2 LEU 54 9.405 -1.108 5.705 433 HB3 LEU 54 HB1 LEU 54 10.514 -2.278 6.389 434 HG LEU 54 HG LEU 54 8.045 -1.679 7.942 435 HD11 LEU 54 HD11 LEU 54 7.182 -1.842 5.678 436 HD12 LEU 54 HD12 LEU 54 6.751 -3.277 6.609 437 HD13 LEU 54 HD13 LEU 54 8.063 -3.350 5.433 438 HD21 LEU 54 HD21 LEU 54 8.194 -4.062 8.439 439 HD22 LEU 54 HD22 LEU 54 9.726 -3.255 8.776 440 HD23 LEU 54 HD23 LEU 54 9.542 -4.224 7.314 441 H ILE 55 HN ILE 55 10.220 -0.135 9.999 442 HA ILE 55 HA ILE 55 12.747 -1.447 10.607 443 HB ILE 55 HB ILE 55 11.800 0.821 11.622 444 HG12 ILE 55 HG12 ILE 55 13.201 0.119 13.773 445 HG13 ILE 55 HG11 ILE 55 13.605 -1.256 12.755 446 HG21 ILE 55 HG21 ILE 55 10.859 0.628 13.813 447 HG22 ILE 55 HG22 ILE 55 10.944 -1.132 13.747 448 HG23 ILE 55 HG23 ILE 55 9.831 -0.262 12.689 449 HD11 ILE 55 HD11 ILE 55 14.053 1.644 12.085 450 HD12 ILE 55 HD12 ILE 55 14.434 0.279 11.035 451 HD13 ILE 55 HD13 ILE 55 15.282 0.475 12.569 452 H ASN 56 HN ASN 56 12.632 -2.714 12.843 453 HA ASN 56 HA ASN 56 11.632 -5.222 12.402 454 HB2 ASN 56 HB2 ASN 56 12.018 -3.953 15.118 455 HB3 ASN 56 HB1 ASN 56 12.009 -5.677 14.766 456 HD21 ASN 56 HD21 ASN 56 13.747 -2.684 14.396 457 HD22 ASN 56 HD22 ASN 56 15.279 -3.383 14.021 458 H SER 57 HN SER 57 9.909 -2.568 13.996 459 HA SER 57 HA SER 57 7.595 -4.349 14.344 460 HB2 SER 57 HB2 SER 57 6.781 -2.644 15.995 461 HB3 SER 57 HB1 SER 57 8.292 -3.429 16.452 462 HG SER 57 HG SER 57 8.014 -0.866 15.261 463 H ASP 58 HN ASP 58 7.963 -0.805 13.872 464 HA ASP 58 HA ASP 58 5.850 -0.966 11.821 465 HB2 ASP 58 HB2 ASP 58 6.288 1.081 13.995 466 HB3 ASP 58 HB1 ASP 58 5.275 1.412 12.594 467 H ILE 59 HN ILE 59 5.994 1.776 11.040 468 HA ILE 59 HA ILE 59 8.424 1.704 9.419 469 HB ILE 59 HB ILE 59 6.023 3.551 9.221 470 HG12 ILE 59 HG12 ILE 59 5.906 2.094 6.966 471 HG13 ILE 59 HG11 ILE 59 6.638 0.900 8.032 472 HG21 ILE 59 HG21 ILE 59 6.964 3.904 6.867 473 HG22 ILE 59 HG22 ILE 59 8.480 3.286 7.530 474 HG23 ILE 59 HG23 ILE 59 7.748 4.739 8.206 475 HD11 ILE 59 HD11 ILE 59 4.188 0.735 7.917 476 HD12 ILE 59 HD12 ILE 59 4.066 2.358 8.598 477 HD13 ILE 59 HD13 ILE 59 4.776 1.053 9.549 478 H VAL 60 HN VAL 60 10.037 3.200 9.503 479 HA VAL 60 HA VAL 60 9.851 5.294 11.579 480 HB VAL 60 HB VAL 60 12.268 3.619 10.820 481 HG11 VAL 60 HG11 VAL 60 12.110 5.894 12.800 482 HG12 VAL 60 HG12 VAL 60 12.996 5.900 11.275 483 HG13 VAL 60 HG13 VAL 60 13.491 4.820 12.578 484 HG21 VAL 60 HG21 VAL 60 10.929 3.847 13.506 485 HG22 VAL 60 HG22 VAL 60 12.154 2.685 12.998 486 HG23 VAL 60 HG23 VAL 60 10.525 2.600 12.327 487 H CYS 61 HN CYS 61 9.819 7.265 10.700 488 HA CYS 61 HA CYS 61 10.529 7.824 8.021 489 HB2 CYS 61 HB2 CYS 61 9.825 10.018 8.401 490 HB3 CYS 61 HB1 CYS 61 8.845 9.060 9.499 491 H GLU 62 HN GLU 62 12.091 9.382 7.252 492 HA GLU 62 HA GLU 62 14.723 8.699 7.873 493 HB2 GLU 62 HB2 GLU 62 13.552 10.989 6.317 494 HB3 GLU 62 HB1 GLU 62 15.288 10.771 6.483 495 HG2 GLU 62 HG2 GLU 62 15.125 8.578 5.436 496 HG3 GLU 62 HG1 GLU 62 13.378 8.771 5.291 497 H GLN 63 HN GLN 63 12.705 10.961 9.460 498 HA GLN 63 HA GLN 63 14.631 12.848 10.347 499 HB2 GLN 63 HB2 GLN 63 11.982 12.838 10.393 500 HB3 GLN 63 HB1 GLN 63 12.243 12.235 12.023 501 HG2 GLN 63 HG2 GLN 63 13.580 14.210 12.545 502 HG3 GLN 63 HG1 GLN 63 13.329 14.813 10.908 503 HE21 GLN 63 HE21 GLN 63 11.875 14.230 14.007 504 HE22 GLN 63 HE22 GLN 63 10.452 15.174 13.746 505 H ASP 64 HN ASP 64 13.372 9.893 11.887 506 HA ASP 64 HA ASP 64 15.409 10.149 14.007 507 HB2 ASP 64 HB2 ASP 64 13.951 8.739 15.383 508 HB3 ASP 64 HB1 ASP 64 13.074 10.149 14.794 509 H ILE 65 HN ILE 65 15.125 8.617 11.179 510 HA ILE 65 HA ILE 65 15.453 5.899 11.550 511 HB ILE 65 HB ILE 65 15.091 6.854 9.352 512 HG12 ILE 65 HG12 ILE 65 17.279 4.939 9.879 513 HG13 ILE 65 HG11 ILE 65 15.840 4.754 8.892 514 HG21 ILE 65 HG21 ILE 65 16.900 7.942 8.065 515 HG22 ILE 65 HG22 ILE 65 17.894 7.956 9.521 516 HG23 ILE 65 HG23 ILE 65 16.392 8.877 9.473 517 HD11 ILE 65 HD11 ILE 65 18.338 6.213 8.053 518 HD12 ILE 65 HD12 ILE 65 16.922 5.884 7.049 519 HD13 ILE 65 HD13 ILE 65 17.932 4.551 7.615 520 H TYR 66 HN TYR 66 18.096 8.304 11.372 521 HA TYR 66 HA TYR 66 20.225 6.515 11.702 522 HB2 TYR 66 HB2 TYR 66 20.448 8.843 10.881 523 HB3 TYR 66 HB1 TYR 66 20.105 9.435 12.501 524 HD1 TYR 66 HD1 TYR 66 21.759 9.211 14.281 525 HD2 TYR 66 HD2 TYR 66 22.611 7.908 10.323 526 HE1 TYR 66 HE1 TYR 66 24.136 9.111 14.844 527 HE2 TYR 66 HE2 TYR 66 25.010 7.807 10.872 528 HH TYR 66 HH TYR 66 26.174 7.972 14.056 529 H GLU 67 HN GLU 67 18.666 8.575 14.184 530 HA GLU 67 HA GLU 67 20.165 7.606 16.368 531 HB2 GLU 67 HB2 GLU 67 17.536 9.063 16.186 532 HB3 GLU 67 HB1 GLU 67 18.234 8.598 17.730 533 HG2 GLU 67 HG2 GLU 67 20.233 9.912 17.222 534 HG3 GLU 67 HG1 GLU 67 19.525 10.382 15.677 535 H TRP 68 HN TRP 68 17.047 6.552 15.033 536 HA TRP 68 HA TRP 68 16.295 4.828 17.148 537 HB2 TRP 68 HB2 TRP 68 14.717 5.686 15.442 538 HB3 TRP 68 HB1 TRP 68 15.499 4.684 14.227 539 HD1 TRP 68 HD1 TRP 68 14.969 2.087 14.246 540 HE1 TRP 68 HE1 TRP 68 13.104 0.695 15.344 541 HE3 TRP 68 HE3 TRP 68 13.212 5.548 17.583 542 HZ2 TRP 68 HZ2 TRP 68 11.149 1.016 17.342 543 HZ3 TRP 68 HZ3 TRP 68 11.336 4.918 19.043 544 HH2 TRP 68 HH2 TRP 68 10.328 2.701 18.928 545 H THR 69 HN THR 69 17.799 4.060 13.990 546 HA THR 69 HA THR 69 18.150 1.294 14.467 547 HB THR 69 HB THR 69 19.871 1.429 12.614 548 HG1 THR 69 HG1 THR 69 19.871 3.479 11.488 549 HG21 THR 69 HG21 THR 69 17.146 2.624 12.090 550 HG22 THR 69 HG22 THR 69 17.543 0.906 12.132 551 HG23 THR 69 HG23 THR 69 18.212 1.935 10.865 552 H LYS 70 HN LYS 70 20.036 4.075 15.287 553 HA LYS 70 HA LYS 70 22.543 2.885 15.803 554 HB2 LYS 70 HB2 LYS 70 21.789 5.377 15.554 555 HB3 LYS 70 HB1 LYS 70 21.541 5.286 17.289 556 HG2 LYS 70 HG2 LYS 70 23.829 4.893 17.695 557 HG3 LYS 70 HG1 LYS 70 24.149 4.574 15.989 558 HD2 LYS 70 HD2 LYS 70 23.668 6.888 15.436 559 HD3 LYS 70 HD1 LYS 70 23.235 7.222 17.112 560 HE2 LYS 70 HE2 LYS 70 25.429 8.048 16.798 561 HE3 LYS 70 HE1 LYS 70 25.580 6.563 17.736 562 HZ1 LYS 70 HZ1 LYS 70 27.240 6.678 15.984 563 HZ2 LYS 70 HZ2 LYS 70 26.032 6.812 14.808 564 HZ3 LYS 70 HZ3 LYS 70 26.181 5.388 15.708 565 H ILE 71 HN ILE 71 19.708 3.379 17.852 566 HA ILE 71 HA ILE 71 21.050 2.493 20.262 567 HB ILE 71 HB ILE 71 18.097 3.031 19.886 568 HG12 ILE 71 HG12 ILE 71 19.255 5.068 19.279 569 HG13 ILE 71 HG11 ILE 71 18.522 5.286 20.858 570 HG21 ILE 71 HG21 ILE 71 18.096 3.443 22.329 571 HG22 ILE 71 HG22 ILE 71 19.769 2.889 22.390 572 HG23 ILE 71 HG23 ILE 71 18.491 1.781 21.891 573 HD11 ILE 71 HD11 ILE 71 21.446 4.798 20.294 574 HD12 ILE 71 HD12 ILE 71 20.734 4.953 21.900 575 HD13 ILE 71 HD13 ILE 71 20.704 6.321 20.786 576 H ASN 72 HN ASN 72 18.447 1.197 18.173 577 HA ASN 72 HA ASN 72 18.511 -1.305 19.681 578 HB2 ASN 72 HB2 ASN 72 16.503 -1.900 18.238 579 HB3 ASN 72 HB1 ASN 72 16.294 -0.571 19.367 580 HD21 ASN 72 HD21 ASN 72 14.957 0.823 18.497 581 HD22 ASN 72 HD22 ASN 72 15.012 1.424 16.878 582 H GLY 73 HN GLY 73 20.350 -0.200 17.291 583 HA2 GLY 73 HA2 GLY 73 20.484 -2.824 15.930 584 HA3 GLY 73 HA1 GLY 73 20.810 -1.305 15.109 585 H GLY 74 HN GLY 74 22.801 -0.377 15.253 586 HA2 GLY 74 HA2 GLY 74 24.885 -0.075 16.517 587 HA3 GLY 74 HA1 GLY 74 24.813 -1.789 16.895 588 H SER 75 HN SER 75 26.371 -2.833 15.880 589 HA SER 75 HA SER 75 26.855 -2.247 13.034 590 HB2 SER 75 HB2 SER 75 28.952 -2.878 15.127 591 HB3 SER 75 HB1 SER 75 29.259 -2.698 13.399 592 HG SER 75 HG SER 75 28.612 -0.545 13.553 593 H GLY 76 HN GLY 76 27.306 -3.985 11.708 594 HA2 GLY 76 HA2 GLY 76 28.075 -6.511 12.134 595 HA3 GLY 76 HA1 GLY 76 26.416 -6.567 12.709 596 H GLY 77 HN GLY 77 28.401 -6.991 10.076 597 HA2 GLY 77 HA2 GLY 77 26.223 -6.526 8.141 598 HA3 GLY 77 HA1 GLY 77 27.932 -6.591 7.735 599 H SER 78 HN SER 78 25.256 -8.559 8.974 600 HA SER 78 HA SER 78 26.398 -10.880 7.566 601 HB2 SER 78 HB2 SER 78 25.015 -10.902 10.260 602 HB3 SER 78 HB1 SER 78 25.541 -12.332 9.374 603 HG SER 78 HG SER 78 26.999 -10.560 10.877 604 H GLY 79 HN GLY 79 25.058 -11.919 6.231 605 HA2 GLY 79 HA2 GLY 79 22.545 -12.688 6.269 606 HA3 GLY 79 HA1 GLY 79 22.296 -10.965 6.031 607 H GLY 80 HN GLY 80 21.626 -10.736 4.000 608 HA2 GLY 80 HA2 GLY 80 23.417 -11.556 1.847 609 HA3 GLY 80 HA1 GLY 80 21.789 -12.215 1.802 610 H SER 81 HN SER 81 23.636 -9.201 1.860 611 HA SER 81 HA SER 81 23.336 -7.147 0.953 612 HB2 SER 81 HB2 SER 81 21.341 -8.547 -0.845 613 HB3 SER 81 HB1 SER 81 21.970 -6.920 -1.100 614 HG SER 81 HG SER 81 23.160 -9.369 -1.538 615 H GLY 82 HN GLY 82 22.407 -5.430 1.803 616 HA2 GLY 82 HA2 GLY 82 19.544 -5.208 2.106 617 HA3 GLY 82 HA1 GLY 82 20.403 -5.375 3.629 618 H GLY 83 HN GLY 83 19.279 -3.229 1.319 619 HA2 GLY 83 HA2 GLY 83 19.923 -0.911 2.685 620 HA3 GLY 83 HA1 GLY 83 21.218 -1.152 1.523 621 H ASP 84 HN ASP 84 17.678 -1.555 1.446 622 HA ASP 84 HA ASP 84 17.578 0.281 -0.854 623 HB2 ASP 84 HB2 ASP 84 16.213 -2.398 -0.568 624 HB3 ASP 84 HB1 ASP 84 15.716 -1.194 -1.753 625 H VAL 85 HN VAL 85 15.754 1.568 -1.031 626 HA VAL 85 HA VAL 85 13.890 1.515 1.256 627 HB VAL 85 HB VAL 85 14.613 4.106 -0.107 628 HG11 VAL 85 HG11 VAL 85 13.969 5.047 2.103 629 HG12 VAL 85 HG12 VAL 85 13.540 3.420 2.628 630 HG13 VAL 85 HG13 VAL 85 12.664 4.176 1.297 631 HG21 VAL 85 HG21 VAL 85 16.269 4.572 1.647 632 HG22 VAL 85 HG22 VAL 85 16.750 3.204 0.643 633 HG23 VAL 85 HG23 VAL 85 16.085 2.926 2.253 634 H MET 86 HN MET 86 11.752 2.030 0.845 635 HA MET 86 HA MET 86 10.985 2.113 -2.001 636 HB2 MET 86 HB2 MET 86 9.653 0.681 0.301 637 HB3 MET 86 HB1 MET 86 8.891 0.910 -1.265 638 HG2 MET 86 HG2 MET 86 9.793 -1.277 -1.222 639 HG3 MET 86 HG1 MET 86 10.810 -0.317 -2.291 640 HE1 MET 86 HE1 MET 86 12.706 -2.184 -2.186 641 HE2 MET 86 HE2 MET 86 11.669 -3.152 -1.138 642 HE3 MET 86 HE3 MET 86 13.342 -2.839 -0.677 643 H VAL 87 HN VAL 87 9.219 3.365 -2.597 644 HA VAL 87 HA VAL 87 8.601 5.578 -0.813 645 HB VAL 87 HB VAL 87 7.438 5.452 -3.558 646 HG11 VAL 87 HG11 VAL 87 7.017 7.363 -2.132 647 HG12 VAL 87 HG12 VAL 87 7.980 7.838 -3.531 648 HG13 VAL 87 HG13 VAL 87 8.749 7.636 -1.957 649 HG21 VAL 87 HG21 VAL 87 9.694 4.640 -3.989 650 HG22 VAL 87 HG22 VAL 87 10.372 5.991 -3.082 651 HG23 VAL 87 HG23 VAL 87 9.508 6.288 -4.590 652 H VAL 88 HN VAL 88 6.513 6.151 -0.166 653 HA VAL 88 HA VAL 88 4.676 4.042 0.284 654 HB VAL 88 HB VAL 88 3.956 6.973 0.472 655 HG11 VAL 88 HG11 VAL 88 2.111 5.434 0.829 656 HG12 VAL 88 HG12 VAL 88 2.545 6.226 2.344 657 HG13 VAL 88 HG13 VAL 88 3.046 4.562 2.044 658 HG21 VAL 88 HG21 VAL 88 6.104 6.692 1.589 659 HG22 VAL 88 HG22 VAL 88 5.454 5.347 2.526 660 HG23 VAL 88 HG23 VAL 88 4.819 6.974 2.762 661 H GLY 89 HN GLY 89 3.562 3.086 -1.264 662 HA2 GLY 89 HA2 GLY 89 2.826 4.233 -3.755 663 HA3 GLY 89 HA1 GLY 89 2.264 2.698 -3.119 664 H GLU 90 HN GLU 90 0.812 4.774 -4.612 665 HA GLU 90 HA GLU 90 -0.953 6.187 -2.913 666 HB2 GLU 90 HB2 GLU 90 -1.147 5.345 -5.800 667 HB3 GLU 90 HB1 GLU 90 -2.422 6.259 -5.007 668 HG2 GLU 90 HG2 GLU 90 -0.844 8.062 -4.539 669 HG3 GLU 90 HG1 GLU 90 0.439 7.144 -5.328 670 HA PRO 91 HA PRO 91 -3.814 2.919 -1.821 671 HB2 PRO 91 HB2 PRO 91 -6.095 4.621 -1.526 672 HB3 PRO 91 HB1 PRO 91 -5.011 4.037 -0.265 673 HG2 PRO 91 HG2 PRO 91 -5.232 6.680 -1.052 674 HG3 PRO 91 HG1 PRO 91 -3.835 5.986 -0.212 675 HD2 PRO 91 HD2 PRO 91 -4.200 6.576 -3.122 676 HD3 PRO 91 HD1 PRO 91 -2.758 6.753 -2.102 677 H THR 92 HN THR 92 -4.996 1.462 -2.887 678 HA THR 92 HA THR 92 -6.528 2.340 -5.250 679 HB THR 92 HB THR 92 -6.204 -0.054 -6.058 680 HG1 THR 92 HG1 THR 92 -4.246 -1.025 -5.129 681 HG21 THR 92 HG21 THR 92 -4.987 1.822 -7.043 682 HG22 THR 92 HG22 THR 92 -3.962 0.390 -6.956 683 HG23 THR 92 HG23 THR 92 -3.755 1.695 -5.788 684 H LEU 93 HN LEU 93 -8.637 2.208 -5.013 685 HA LEU 93 HA LEU 93 -9.929 0.905 -2.863 686 HB2 LEU 93 HB2 LEU 93 -12.041 1.462 -4.117 687 HB3 LEU 93 HB1 LEU 93 -11.001 2.813 -3.723 688 HG LEU 93 HG LEU 93 -10.131 2.292 -6.228 689 HD11 LEU 93 HD11 LEU 93 -11.717 0.475 -6.580 690 HD12 LEU 93 HD12 LEU 93 -12.055 1.830 -7.657 691 HD13 LEU 93 HD13 LEU 93 -13.057 1.567 -6.230 692 HD21 LEU 93 HD21 LEU 93 -10.835 4.458 -5.385 693 HD22 LEU 93 HD22 LEU 93 -12.525 3.962 -5.471 694 HD23 LEU 93 HD23 LEU 93 -11.581 4.134 -6.950 695 H MET 94 HN MET 94 -10.627 -1.090 -2.590 696 HA MET 94 HA MET 94 -10.123 -3.166 -4.443 697 HB2 MET 94 HB2 MET 94 -11.624 -3.039 -1.846 698 HB3 MET 94 HB1 MET 94 -11.579 -4.517 -2.796 699 HG2 MET 94 HG2 MET 94 -9.168 -3.049 -1.751 700 HG3 MET 94 HG1 MET 94 -9.893 -4.478 -1.017 701 HE1 MET 94 HE1 MET 94 -6.516 -5.808 -2.539 702 HE2 MET 94 HE2 MET 94 -7.489 -5.664 -1.075 703 HE3 MET 94 HE3 MET 94 -6.805 -4.222 -1.825 704 H GLY 95 HN GLY 95 -12.807 -1.052 -4.150 705 HA2 GLY 95 HA2 GLY 95 -14.728 -2.859 -5.373 706 HA3 GLY 95 HA1 GLY 95 -15.014 -1.191 -4.904 707 H GLY 96 HN GLY 96 -13.427 -3.225 -7.322 708 HA2 GLY 96 HA2 GLY 96 -14.217 -1.354 -9.414 709 HA3 GLY 96 HA1 GLY 96 -12.490 -1.625 -9.226 710 H GLU 97 HN GLU 97 -15.281 -2.647 -10.749 711 HA GLU 97 HA GLU 97 -14.298 -5.363 -11.253 712 HB2 GLU 97 HB2 GLU 97 -16.946 -4.018 -11.775 713 HB3 GLU 97 HB1 GLU 97 -16.542 -5.589 -12.451 714 HG2 GLU 97 HG2 GLU 97 -16.257 -6.494 -10.206 715 HG3 GLU 97 HG1 GLU 97 -16.635 -4.915 -9.518 716 H PHE 98 HN PHE 98 -13.223 -5.843 -13.021 717 HA PHE 98 HA PHE 98 -13.534 -4.134 -15.396 718 HB2 PHE 98 HB2 PHE 98 -10.987 -5.294 -14.261 719 HB3 PHE 98 HB1 PHE 98 -11.102 -4.625 -15.883 720 HD1 PHE 98 HD2 PHE 98 -11.352 -2.239 -16.233 721 HD2 PHE 98 HD1 PHE 98 -11.030 -3.868 -12.314 722 HE1 PHE 98 HE2 PHE 98 -10.894 0.007 -15.341 723 HE2 PHE 98 HE1 PHE 98 -10.572 -1.624 -11.415 724 HZ PHE 98 HZ PHE 98 -10.502 0.317 -12.929 725 H GLY 99 HN GLY 99 -15.083 -5.613 -16.133 726 HA2 GLY 99 HA2 GLY 99 -13.902 -7.988 -17.409 727 HA3 GLY 99 HA1 GLY 99 -15.387 -8.157 -16.485 728 H ASP 100 HN ASP 100 -15.270 -8.897 -19.134 729 HA ASP 100 HA ASP 100 -17.023 -6.895 -20.371 730 HB2 ASP 100 HB2 ASP 100 -16.072 -7.566 -22.616 731 HB3 ASP 100 HB1 ASP 100 -14.982 -6.654 -21.584 732 H GLU 101 HN GLU 101 -18.758 -8.081 -19.530 733 HA GLU 101 HA GLU 101 -19.202 -10.796 -20.463 734 HB2 GLU 101 HB2 GLU 101 -21.334 -10.625 -19.123 735 HB3 GLU 101 HB1 GLU 101 -19.847 -10.468 -18.206 736 HG2 GLU 101 HG2 GLU 101 -20.148 -8.040 -18.129 737 HG3 GLU 101 HG1 GLU 101 -21.636 -8.195 -19.061 738 H ASP 102 HN ASP 102 -20.007 -7.626 -21.462 739 HA ASP 102 HA ASP 102 -22.405 -8.344 -22.915 740 HB2 ASP 102 HB2 ASP 102 -20.793 -5.799 -22.750 741 HB3 ASP 102 HB1 ASP 102 -22.206 -5.970 -23.786 742 H GLU 103 HN GLU 103 -18.995 -7.909 -23.624 743 HA GLU 103 HA GLU 103 -19.373 -7.988 -26.497 744 HB2 GLU 103 HB2 GLU 103 -16.922 -7.898 -24.745 745 HB3 GLU 103 HB1 GLU 103 -16.825 -8.069 -26.491 746 HG2 GLU 103 HG2 GLU 103 -17.990 -5.941 -26.768 747 HG3 GLU 103 HG1 GLU 103 -18.096 -5.771 -25.016 748 H ARG 104 HN ARG 104 -19.269 -10.302 -24.076 749 HA ARG 104 HA ARG 104 -18.011 -12.381 -25.693 750 HB2 ARG 104 HB2 ARG 104 -19.037 -12.311 -22.862 751 HB3 ARG 104 HB1 ARG 104 -18.550 -13.809 -23.641 752 HG2 ARG 104 HG2 ARG 104 -16.305 -12.865 -24.003 753 HG3 ARG 104 HG1 ARG 104 -16.806 -11.404 -23.148 754 HD2 ARG 104 HD2 ARG 104 -17.233 -12.717 -21.138 755 HD3 ARG 104 HD1 ARG 104 -16.773 -14.190 -21.991 756 HE ARG 104 HE ARG 104 -14.686 -12.272 -22.092 757 HH11 ARG 104 HH11 ARG 104 -16.167 -14.582 -19.899 758 HH12 ARG 104 HH12 ARG 104 -14.722 -14.797 -18.969 759 HH21 ARG 104 HH21 ARG 104 -12.808 -12.570 -20.860 760 HH22 ARG 104 HH22 ARG 104 -12.823 -13.658 -19.513 761 H LEU 105 HN LEU 105 -21.179 -11.327 -24.678 762 HA LEU 105 HA LEU 105 -22.465 -13.745 -25.694 763 HB2 LEU 105 HB2 LEU 105 -23.059 -12.202 -23.556 764 HB3 LEU 105 HB1 LEU 105 -24.082 -11.440 -24.749 765 HG LEU 105 HG LEU 105 -25.353 -13.035 -23.445 766 HD11 LEU 105 HD11 LEU 105 -26.297 -14.440 -25.208 767 HD12 LEU 105 HD12 LEU 105 -24.926 -14.050 -26.246 768 HD13 LEU 105 HD13 LEU 105 -26.042 -12.780 -25.746 769 HD21 LEU 105 HD21 LEU 105 -23.633 -15.271 -24.480 770 HD22 LEU 105 HD22 LEU 105 -24.888 -15.332 -23.244 771 HD23 LEU 105 HD23 LEU 105 -23.366 -14.504 -22.914 772 H ILE 106 HN ILE 106 -22.341 -10.257 -26.344 773 HA ILE 106 HA ILE 106 -23.350 -10.792 -29.052 774 HB ILE 106 HB ILE 106 -24.435 -8.471 -28.967 775 HG12 ILE 106 HG12 ILE 106 -25.376 -8.193 -26.468 776 HG13 ILE 106 HG11 ILE 106 -23.798 -8.867 -26.078 777 HG21 ILE 106 HG21 ILE 106 -25.706 -10.514 -29.128 778 HG22 ILE 106 HG22 ILE 106 -26.520 -9.383 -28.046 779 HG23 ILE 106 HG23 ILE 106 -25.614 -10.743 -27.382 780 HD11 ILE 106 HD11 ILE 106 -23.763 -6.441 -26.029 781 HD12 ILE 106 HD12 ILE 106 -24.305 -6.386 -27.706 782 HD13 ILE 106 HD13 ILE 106 -22.722 -7.057 -27.312 783 H THR 107 HN THR 107 -22.294 -9.825 -30.687 784 HA THR 107 HA THR 107 -19.931 -8.233 -29.994 785 HB THR 107 HB THR 107 -19.275 -8.686 -32.412 786 HG1 THR 107 HG1 THR 107 -21.649 -10.172 -32.209 787 HG21 THR 107 HG21 THR 107 -18.505 -10.969 -31.937 788 HG22 THR 107 HG22 THR 107 -19.613 -11.055 -30.567 789 HG23 THR 107 HG23 THR 107 -18.275 -9.907 -30.547 790 H ARG 108 HN ARG 108 -20.083 -6.118 -30.143 791 HA ARG 108 HA ARG 108 -21.515 -4.909 -32.402 792 HB2 ARG 108 HB2 ARG 108 -21.878 -4.219 -29.487 793 HB3 ARG 108 HB1 ARG 108 -22.282 -3.090 -30.772 794 HG2 ARG 108 HG2 ARG 108 -23.877 -4.714 -31.685 795 HG3 ARG 108 HG1 ARG 108 -23.483 -5.824 -30.372 796 HD2 ARG 108 HD2 ARG 108 -24.271 -4.180 -28.744 797 HD3 ARG 108 HD1 ARG 108 -24.651 -3.061 -30.052 798 HE ARG 108 HE ARG 108 -25.989 -5.502 -30.482 799 HH11 ARG 108 HH11 ARG 108 -26.135 -2.712 -28.353 800 HH12 ARG 108 HH12 ARG 108 -27.835 -2.878 -28.065 801 HH21 ARG 108 HH21 ARG 108 -28.212 -5.699 -30.090 802 HH22 ARG 108 HH22 ARG 108 -29.009 -4.569 -29.047 803 H LEU 109 HN LEU 109 -20.645 -3.008 -33.173 804 HA LEU 109 HA LEU 109 -17.961 -2.364 -32.178 805 HB2 LEU 109 HB2 LEU 109 -19.306 -1.784 -34.817 806 HB3 LEU 109 HB1 LEU 109 -17.725 -1.170 -34.376 807 HG LEU 109 HG LEU 109 -17.211 -3.746 -34.000 808 HD11 LEU 109 HD11 LEU 109 -19.401 -3.783 -36.073 809 HD12 LEU 109 HD12 LEU 109 -19.476 -4.512 -34.469 810 HD13 LEU 109 HD13 LEU 109 -18.339 -5.132 -35.667 811 HD21 LEU 109 HD21 LEU 109 -16.356 -3.829 -36.297 812 HD22 LEU 109 HD22 LEU 109 -16.011 -2.283 -35.521 813 HD23 LEU 109 HD23 LEU 109 -17.318 -2.406 -36.699 814 H GLU 110 HN GLU 110 -17.366 -0.347 -31.552 815 HA GLU 110 HA GLU 110 -19.343 1.819 -31.646 816 HB2 GLU 110 HB2 GLU 110 -17.968 0.784 -29.167 817 HB3 GLU 110 HB1 GLU 110 -18.653 2.400 -29.256 818 HG2 GLU 110 HG2 GLU 110 -20.856 1.450 -29.700 819 HG3 GLU 110 HG1 GLU 110 -20.172 -0.174 -29.627 820 H ASN 111 HN ASN 111 -18.490 3.896 -31.655 821 HA ASN 111 HA ASN 111 -15.590 4.046 -32.148 822 HB2 ASN 111 HB2 ASN 111 -17.869 5.737 -33.188 823 HB3 ASN 111 HB1 ASN 111 -16.177 6.190 -33.371 824 HD21 ASN 111 HD21 ASN 111 -18.678 3.982 -34.332 825 HD22 ASN 111 HD22 ASN 111 -17.843 3.306 -35.684 826 H THR 112 HN THR 112 -14.375 5.104 -30.746 827 HA THR 112 HA THR 112 -15.648 7.047 -28.926 828 HB THR 112 HB THR 112 -13.774 6.436 -27.311 829 HG1 THR 112 HG1 THR 112 -12.357 5.110 -28.155 830 HG21 THR 112 HG21 THR 112 -15.819 4.313 -27.975 831 HG22 THR 112 HG22 THR 112 -16.085 5.724 -26.951 832 HG23 THR 112 HG23 THR 112 -14.956 4.468 -26.445 833 H GLN 113 HN GLN 113 -14.526 8.910 -28.406 834 HA GLN 113 HA GLN 113 -12.056 9.444 -29.919 835 HB2 GLN 113 HB2 GLN 113 -14.354 10.491 -30.741 836 HB3 GLN 113 HB1 GLN 113 -14.020 11.651 -29.464 837 HG2 GLN 113 HG2 GLN 113 -11.867 12.173 -30.503 838 HG3 GLN 113 HG1 GLN 113 -12.210 11.013 -31.785 839 HE21 GLN 113 HE21 GLN 113 -13.772 11.499 -33.327 840 HE22 GLN 113 HE22 GLN 113 -14.361 13.106 -33.563 841 H PHE 114 HN PHE 114 -10.439 10.162 -28.707 842 HA PHE 114 HA PHE 114 -11.030 11.469 -26.134 843 HB2 PHE 114 HB2 PHE 114 -10.212 8.982 -26.080 844 HB3 PHE 114 HB1 PHE 114 -8.640 9.677 -26.454 845 HD1 PHE 114 HD2 PHE 114 -7.461 11.036 -24.833 846 HD2 PHE 114 HD1 PHE 114 -11.261 9.344 -23.932 847 HE1 PHE 114 HE2 PHE 114 -7.100 11.508 -22.445 848 HE2 PHE 114 HE1 PHE 114 -10.907 9.813 -21.543 849 HZ PHE 114 HZ PHE 114 -8.825 10.895 -20.797 850 H ASP 115 HN ASP 115 -9.748 13.174 -25.578 851 HA ASP 115 HA ASP 115 -7.842 14.100 -27.620 852 HB2 ASP 115 HB2 ASP 115 -9.509 15.619 -25.610 853 HB3 ASP 115 HB1 ASP 115 -8.214 16.367 -26.538 854 H ALA 116 HN ALA 116 -5.760 14.337 -27.138 855 HA ALA 116 HA ALA 116 -4.933 14.062 -24.321 856 HB1 ALA 116 HB1 ALA 116 -2.867 13.057 -25.133 857 HB2 ALA 116 HB2 ALA 116 -3.412 13.257 -26.799 858 HB3 ALA 116 HB3 ALA 116 -4.271 12.163 -25.715 859 H ALA 117 HN ALA 117 -3.396 15.423 -23.490 860 HA ALA 117 HA ALA 117 -2.863 17.851 -25.047 861 HB1 ALA 117 HB1 ALA 117 -2.611 17.388 -22.077 862 HB2 ALA 117 HB2 ALA 117 -3.986 18.136 -22.889 863 HB3 ALA 117 HB3 ALA 117 -2.411 18.928 -22.913 864 H ASN 118 HN ASN 118 -1.225 15.392 -23.085 865 HA ASN 118 HA ASN 118 0.913 14.658 -22.933 866 HB2 ASN 118 HB2 ASN 118 1.176 16.017 -25.621 867 HB3 ASN 118 HB1 ASN 118 2.461 15.063 -24.888 868 HD21 ASN 118 HD21 ASN 118 -0.680 14.997 -26.362 869 HD22 ASN 118 HD22 ASN 118 -0.748 13.290 -26.621 870 H GLY 119 HN GLY 119 2.469 15.284 -21.620 871 HA2 GLY 119 HA2 GLY 119 4.257 17.311 -21.787 872 HA3 GLY 119 HA1 GLY 119 2.857 18.094 -21.072 873 H ILE 120 HN ILE 120 5.676 17.196 -20.163 874 HA ILE 120 HA ILE 120 4.851 15.750 -17.738 875 HB ILE 120 HB ILE 120 7.372 15.365 -17.434 876 HG12 ILE 120 HG12 ILE 120 8.387 15.126 -19.898 877 HG13 ILE 120 HG11 ILE 120 7.325 16.496 -20.201 878 HG21 ILE 120 HG21 ILE 120 7.319 13.380 -18.874 879 HG22 ILE 120 HG22 ILE 120 5.896 14.026 -19.691 880 HG23 ILE 120 HG23 ILE 120 5.815 13.604 -17.981 881 HD11 ILE 120 HD11 ILE 120 9.578 17.220 -19.659 882 HD12 ILE 120 HD12 ILE 120 9.492 16.371 -18.115 883 HD13 ILE 120 HD13 ILE 120 8.434 17.747 -18.424 884 H ASP 121 HN ASP 121 5.726 16.370 -15.696 885 HA ASP 121 HA ASP 121 6.122 19.268 -15.488 886 HB2 ASP 121 HB2 ASP 121 5.273 17.185 -13.471 887 HB3 ASP 121 HB1 ASP 121 5.648 18.848 -13.030 888 H ASP 122 HN ASP 122 7.877 20.184 -14.537 889 HA ASP 122 HA ASP 122 10.053 18.379 -13.699 890 HB2 ASP 122 HB2 ASP 122 10.207 20.925 -15.317 891 HB3 ASP 122 HB1 ASP 122 11.613 20.195 -14.550 892 H GLU 123 HN GLU 123 8.597 21.588 -13.297 893 HA GLU 123 HA GLU 123 10.051 21.950 -10.776 894 HB2 GLU 123 HB2 GLU 123 9.790 23.729 -12.722 895 HB3 GLU 123 HB1 GLU 123 8.258 24.052 -11.925 896 HG2 GLU 123 HG2 GLU 123 9.450 24.520 -9.837 897 HG3 GLU 123 HG1 GLU 123 10.983 24.212 -10.651 Start of MODEL 2 1 H TYR 1 HT1 TYR 1 -8.978 -23.099 0.461 2 HA TYR 1 HA TYR 1 -11.897 -22.725 0.143 3 HB2 TYR 1 HB2 TYR 1 -9.924 -21.580 2.128 4 HB3 TYR 1 HB1 TYR 1 -11.532 -20.916 1.869 5 HD1 TYR 1 HD2 TYR 1 -9.618 -23.713 3.255 6 HD2 TYR 1 HD1 TYR 1 -13.509 -22.107 2.636 7 HE1 TYR 1 HE2 TYR 1 -10.531 -25.313 4.883 8 HE2 TYR 1 HE1 TYR 1 -14.433 -23.702 4.264 9 HH TYR 1 HH TYR 1 -12.485 -25.526 6.359 10 H LEU 2 HN LEU 2 -12.497 -21.146 -1.187 11 HA LEU 2 HA LEU 2 -10.399 -19.468 -2.389 12 HB2 LEU 2 HB2 LEU 2 -13.083 -20.348 -3.453 13 HB3 LEU 2 HB1 LEU 2 -12.075 -19.155 -4.245 14 HG LEU 2 HG LEU 2 -10.279 -21.104 -4.144 15 HD11 LEU 2 HD11 LEU 2 -11.316 -23.288 -4.500 16 HD12 LEU 2 HD12 LEU 2 -12.902 -22.593 -4.162 17 HD13 LEU 2 HD13 LEU 2 -11.678 -22.657 -2.894 18 HD21 LEU 2 HD21 LEU 2 -10.987 -21.766 -6.396 19 HD22 LEU 2 HD22 LEU 2 -11.059 -20.018 -6.171 20 HD23 LEU 2 HD23 LEU 2 -12.541 -20.974 -6.134 21 H ARG 3 HN ARG 3 -10.425 -17.343 -2.100 22 HA ARG 3 HA ARG 3 -12.216 -16.094 -0.303 23 HB2 ARG 3 HB2 ARG 3 -11.055 -13.968 -0.986 24 HB3 ARG 3 HB1 ARG 3 -10.001 -15.240 -0.399 25 HG2 ARG 3 HG2 ARG 3 -9.345 -15.775 -2.690 26 HG3 ARG 3 HG1 ARG 3 -10.433 -14.525 -3.298 27 HD2 ARG 3 HD2 ARG 3 -9.151 -12.827 -2.085 28 HD3 ARG 3 HD1 ARG 3 -8.064 -14.078 -1.485 29 HE ARG 3 HE ARG 3 -8.062 -14.271 -4.251 30 HH11 ARG 3 HH11 ARG 3 -7.111 -11.878 -1.862 31 HH12 ARG 3 HH12 ARG 3 -5.876 -11.197 -2.867 32 HH21 ARG 3 HH21 ARG 3 -6.440 -13.363 -5.549 33 HH22 ARG 3 HH22 ARG 3 -5.499 -12.038 -4.954 34 H LEU 4 HN LEU 4 -14.041 -14.984 -0.558 35 HA LEU 4 HA LEU 4 -14.900 -14.257 -3.280 36 HB2 LEU 4 HB2 LEU 4 -16.561 -15.558 -1.119 37 HB3 LEU 4 HB1 LEU 4 -17.243 -14.824 -2.557 38 HG LEU 4 HG LEU 4 -15.185 -16.965 -2.890 39 HD11 LEU 4 HD11 LEU 4 -18.082 -17.459 -2.220 40 HD12 LEU 4 HD12 LEU 4 -16.690 -17.899 -1.231 41 HD13 LEU 4 HD13 LEU 4 -16.941 -18.674 -2.795 42 HD21 LEU 4 HD21 LEU 4 -16.520 -17.458 -4.880 43 HD22 LEU 4 HD22 LEU 4 -16.022 -15.766 -4.849 44 HD23 LEU 4 HD23 LEU 4 -17.675 -16.207 -4.420 45 H PHE 5 HN PHE 5 -15.363 -13.697 0.199 46 HA PHE 5 HA PHE 5 -15.889 -10.862 -0.382 47 HB2 PHE 5 HB2 PHE 5 -17.420 -12.637 1.526 48 HB3 PHE 5 HB1 PHE 5 -17.493 -10.880 1.580 49 HD1 PHE 5 HD1 PHE 5 -18.458 -13.877 -0.272 50 HD2 PHE 5 HD2 PHE 5 -18.638 -9.628 -0.145 51 HE1 PHE 5 HE1 PHE 5 -20.246 -13.907 -1.962 52 HE2 PHE 5 HE2 PHE 5 -20.426 -9.649 -1.835 53 HZ PHE 5 HZ PHE 5 -21.232 -11.791 -2.746 54 H GLY 6 HN GLY 6 -14.656 -9.499 0.732 55 HA2 GLY 6 HA2 GLY 6 -13.614 -8.691 2.716 56 HA3 GLY 6 HA1 GLY 6 -13.491 -10.346 3.293 57 H GLN 7 HN GLN 7 -11.293 -8.971 3.609 58 HA GLN 7 HA GLN 7 -9.534 -9.633 1.341 59 HB2 GLN 7 HB2 GLN 7 -9.395 -7.482 3.429 60 HB3 GLN 7 HB1 GLN 7 -7.934 -8.015 2.609 61 HG2 GLN 7 HG2 GLN 7 -8.610 -6.171 1.377 62 HG3 GLN 7 HG1 GLN 7 -9.227 -7.528 0.438 63 HE21 GLN 7 HE21 GLN 7 -10.044 -4.855 2.501 64 HE22 GLN 7 HE22 GLN 7 -11.739 -4.847 2.166 65 H ASP 8 HN ASP 8 -7.498 -10.537 1.751 66 HA ASP 8 HA ASP 8 -7.404 -12.216 4.154 67 HB2 ASP 8 HB2 ASP 8 -6.023 -12.392 1.477 68 HB3 ASP 8 HB1 ASP 8 -5.606 -13.434 2.834 69 H GLY 9 HN GLY 9 -6.061 -9.387 2.908 70 HA2 GLY 9 HA2 GLY 9 -3.470 -9.688 4.216 71 HA3 GLY 9 HA1 GLY 9 -3.973 -8.348 3.198 72 H LEU 10 HN LEU 10 -4.269 -9.792 6.379 73 HA LEU 10 HA LEU 10 -5.669 -7.636 7.611 74 HB2 LEU 10 HB2 LEU 10 -4.088 -9.950 8.710 75 HB3 LEU 10 HB1 LEU 10 -4.834 -8.753 9.751 76 HG LEU 10 HG LEU 10 -6.937 -9.500 8.162 77 HD11 LEU 10 HD11 LEU 10 -6.943 -11.934 8.092 78 HD12 LEU 10 HD12 LEU 10 -5.288 -11.963 8.700 79 HD13 LEU 10 HD13 LEU 10 -5.634 -11.272 7.115 80 HD21 LEU 10 HD21 LEU 10 -6.930 -9.202 10.599 81 HD22 LEU 10 HD22 LEU 10 -6.096 -10.747 10.776 82 HD23 LEU 10 HD23 LEU 10 -7.732 -10.698 10.120 83 H CYS 11 HN CYS 11 -4.825 -6.256 9.346 84 HA CYS 11 HA CYS 11 -2.351 -5.001 8.544 85 HB2 CYS 11 HB2 CYS 11 -4.339 -3.675 9.146 86 HB3 CYS 11 HB1 CYS 11 -4.252 -4.304 10.785 87 H ALA 12 HN ALA 12 -0.522 -5.800 9.169 88 HA ALA 12 HA ALA 12 -0.083 -7.492 11.389 89 HB1 ALA 12 HB1 ALA 12 1.361 -7.782 9.588 90 HB2 ALA 12 HB2 ALA 12 2.369 -7.036 10.829 91 HB3 ALA 12 HB3 ALA 12 1.745 -6.064 9.498 92 H SER 13 HN SER 13 -0.438 -4.119 11.389 93 HA SER 13 HA SER 13 1.384 -3.674 13.621 94 HB2 SER 13 HB2 SER 13 1.325 -1.975 11.865 95 HB3 SER 13 HB1 SER 13 -0.398 -1.725 12.137 96 HG SER 13 HG SER 13 1.470 -1.405 14.226 97 H CYS 14 HN CYS 14 -2.122 -3.200 12.996 98 HA CYS 14 HA CYS 14 -2.555 -3.083 15.890 99 HB2 CYS 14 HB2 CYS 14 -4.703 -2.118 15.430 100 HB3 CYS 14 HB1 CYS 14 -3.514 -1.294 14.431 101 H ASP 15 HN ASP 15 -2.483 -5.417 13.575 102 HA ASP 15 HA ASP 15 -3.283 -7.524 13.300 103 HB2 ASP 15 HB2 ASP 15 -3.619 -7.244 16.295 104 HB3 ASP 15 HB1 ASP 15 -3.866 -8.762 15.439 105 H LYS 16 HN LYS 16 -5.100 -5.652 12.529 106 HA LYS 16 HA LYS 16 -7.686 -6.818 13.336 107 HB2 LYS 16 HB2 LYS 16 -7.046 -4.273 13.828 108 HB3 LYS 16 HB1 LYS 16 -7.568 -4.081 12.168 109 HG2 LYS 16 HG2 LYS 16 -9.524 -3.663 13.265 110 HG3 LYS 16 HG1 LYS 16 -9.679 -5.399 12.996 111 HD2 LYS 16 HD2 LYS 16 -8.843 -5.821 15.263 112 HD3 LYS 16 HD1 LYS 16 -8.687 -4.085 15.530 113 HE2 LYS 16 HE2 LYS 16 -10.721 -4.716 16.549 114 HE3 LYS 16 HE1 LYS 16 -11.164 -3.920 15.041 115 HZ1 LYS 16 HZ1 LYS 16 -11.467 -6.094 14.025 116 HZ2 LYS 16 HZ2 LYS 16 -12.452 -5.931 15.390 117 HZ3 LYS 16 HZ3 LYS 16 -11.039 -6.857 15.474 118 H ARG 17 HN ARG 17 -9.252 -7.088 11.708 119 HA ARG 17 HA ARG 17 -8.258 -7.953 9.209 120 HB2 ARG 17 HB2 ARG 17 -10.688 -8.240 8.607 121 HB3 ARG 17 HB1 ARG 17 -10.166 -9.080 10.056 122 HG2 ARG 17 HG2 ARG 17 -11.186 -7.319 11.434 123 HG3 ARG 17 HG1 ARG 17 -11.723 -6.496 9.969 124 HD2 ARG 17 HD2 ARG 17 -13.061 -8.453 9.363 125 HD3 ARG 17 HD1 ARG 17 -12.518 -9.278 10.824 126 HE ARG 17 HE ARG 17 -13.684 -6.827 11.540 127 HH11 ARG 17 HH11 ARG 17 -14.660 -9.953 10.275 128 HH12 ARG 17 HH12 ARG 17 -16.252 -9.858 10.951 129 HH21 ARG 17 HH21 ARG 17 -15.772 -6.723 12.416 130 HH22 ARG 17 HH22 ARG 17 -16.880 -8.030 12.162 131 H ILE 18 HN ILE 18 -7.767 -6.859 7.452 132 HA ILE 18 HA ILE 18 -8.484 -4.074 7.171 133 HB ILE 18 HB ILE 18 -6.703 -5.964 5.638 134 HG12 ILE 18 HG12 ILE 18 -6.245 -3.316 7.040 135 HG13 ILE 18 HG11 ILE 18 -5.838 -4.903 7.680 136 HG21 ILE 18 HG21 ILE 18 -7.069 -3.132 4.702 137 HG22 ILE 18 HG22 ILE 18 -8.039 -4.449 4.041 138 HG23 ILE 18 HG23 ILE 18 -6.283 -4.482 3.880 139 HD11 ILE 18 HD11 ILE 18 -4.152 -5.193 5.958 140 HD12 ILE 18 HD12 ILE 18 -3.868 -3.713 6.874 141 HD13 ILE 18 HD13 ILE 18 -4.573 -3.629 5.261 142 H ARG 19 HN ARG 19 -10.590 -3.802 6.731 143 HA ARG 19 HA ARG 19 -11.628 -4.743 4.172 144 HB2 ARG 19 HB2 ARG 19 -12.860 -5.455 6.830 145 HB3 ARG 19 HB1 ARG 19 -13.830 -5.378 5.366 146 HG2 ARG 19 HG2 ARG 19 -12.453 -7.096 4.338 147 HG3 ARG 19 HG1 ARG 19 -11.428 -7.149 5.773 148 HD2 ARG 19 HD2 ARG 19 -13.360 -7.851 7.112 149 HD3 ARG 19 HD1 ARG 19 -14.367 -7.820 5.665 150 HE ARG 19 HE ARG 19 -12.259 -9.491 5.075 151 HH11 ARG 19 HH11 ARG 19 -14.825 -9.462 7.476 152 HH12 ARG 19 HH12 ARG 19 -14.880 -11.187 7.604 153 HH21 ARG 19 HH21 ARG 19 -12.351 -11.749 5.261 154 HH22 ARG 19 HH22 ARG 19 -13.480 -12.480 6.352 155 H ALA 20 HN ALA 20 -13.903 -3.834 3.794 156 HA ALA 20 HA ALA 20 -15.213 -2.062 3.336 157 HB1 ALA 20 HB1 ALA 20 -14.813 -1.348 6.234 158 HB2 ALA 20 HB2 ALA 20 -15.954 -2.546 5.625 159 HB3 ALA 20 HB3 ALA 20 -16.147 -0.847 5.196 160 H TYR 21 HN TYR 21 -13.247 -0.253 5.707 161 HA TYR 21 HA TYR 21 -13.008 1.970 3.909 162 HB2 TYR 21 HB2 TYR 21 -13.188 1.990 6.495 163 HB3 TYR 21 HB1 TYR 21 -11.460 1.663 6.477 164 HD1 TYR 21 HD1 TYR 21 -14.039 4.118 5.416 165 HD2 TYR 21 HD2 TYR 21 -9.905 3.405 6.135 166 HE1 TYR 21 HE1 TYR 21 -13.594 6.527 5.212 167 HE2 TYR 21 HE2 TYR 21 -9.450 5.813 5.933 168 HH TYR 21 HH TYR 21 -10.463 7.799 4.900 169 H GLU 22 HN GLU 22 -10.641 -0.211 5.426 170 HA GLU 22 HA GLU 22 -8.400 -0.485 5.076 171 HB2 GLU 22 HB2 GLU 22 -8.039 -1.665 2.815 172 HB3 GLU 22 HB1 GLU 22 -9.126 -2.380 3.989 173 HG2 GLU 22 HG2 GLU 22 -10.580 -2.563 2.313 174 HG3 GLU 22 HG1 GLU 22 -10.803 -0.822 2.454 175 H MET 23 HN MET 23 -8.942 0.467 1.677 176 HA MET 23 HA MET 23 -7.760 1.829 0.284 177 HB2 MET 23 HB2 MET 23 -8.094 3.617 2.696 178 HB3 MET 23 HB1 MET 23 -7.383 4.191 1.195 179 HG2 MET 23 HG2 MET 23 -9.443 3.634 0.005 180 HG3 MET 23 HG1 MET 23 -10.154 3.056 1.511 181 HE1 MET 23 HE1 MET 23 -12.253 4.649 1.149 182 HE2 MET 23 HE2 MET 23 -11.550 5.216 -0.366 183 HE3 MET 23 HE3 MET 23 -12.120 6.379 0.832 184 H THR 24 HN THR 24 -6.149 -0.032 1.292 185 HA THR 24 HA THR 24 -3.677 1.288 2.172 186 HB THR 24 HB THR 24 -2.907 -1.054 2.697 187 HG1 THR 24 HG1 THR 24 -4.194 -2.434 1.643 188 HG21 THR 24 HG21 THR 24 -3.813 0.469 4.417 189 HG22 THR 24 HG22 THR 24 -4.166 -1.225 4.763 190 HG23 THR 24 HG23 THR 24 -5.426 -0.175 4.112 191 H MET 25 HN MET 25 -1.651 0.553 1.306 192 HA MET 25 HA MET 25 -1.813 -0.025 -1.563 193 HB2 MET 25 HB2 MET 25 0.534 0.858 -1.641 194 HB3 MET 25 HB1 MET 25 -0.660 2.036 -1.125 195 HG2 MET 25 HG2 MET 25 1.069 0.500 0.804 196 HG3 MET 25 HG1 MET 25 1.536 2.052 0.111 197 HE1 MET 25 HE1 MET 25 0.544 2.814 3.872 198 HE2 MET 25 HE2 MET 25 1.865 2.744 2.707 199 HE3 MET 25 HE3 MET 25 1.154 1.253 3.322 200 H ARG 26 HN ARG 26 0.218 -1.254 -2.410 201 HA ARG 26 HA ARG 26 0.334 -3.769 -0.960 202 HB2 ARG 26 HB2 ARG 26 1.232 -2.932 -3.713 203 HB3 ARG 26 HB1 ARG 26 1.632 -4.505 -3.040 204 HG2 ARG 26 HG2 ARG 26 -0.740 -5.024 -2.821 205 HG3 ARG 26 HG1 ARG 26 -1.150 -3.437 -3.476 206 HD2 ARG 26 HD2 ARG 26 -0.032 -4.007 -5.570 207 HD3 ARG 26 HD1 ARG 26 0.407 -5.583 -4.914 208 HE ARG 26 HE ARG 26 -2.341 -5.378 -4.697 209 HH11 ARG 26 HH11 ARG 26 -0.007 -5.416 -7.320 210 HH12 ARG 26 HH12 ARG 26 -1.118 -6.111 -8.452 211 HH21 ARG 26 HH21 ARG 26 -3.779 -6.287 -6.195 212 HH22 ARG 26 HH22 ARG 26 -3.252 -6.603 -7.815 213 H VAL 27 HN VAL 27 1.808 -4.054 0.544 214 HA VAL 27 HA VAL 27 4.391 -2.673 0.375 215 HB VAL 27 HB VAL 27 3.603 -4.310 2.778 216 HG11 VAL 27 HG11 VAL 27 5.235 -1.818 2.339 217 HG12 VAL 27 HG12 VAL 27 5.777 -3.393 2.920 218 HG13 VAL 27 HG13 VAL 27 4.758 -2.380 3.940 219 HG21 VAL 27 HG21 VAL 27 1.612 -2.939 2.231 220 HG22 VAL 27 HG22 VAL 27 2.618 -1.494 2.317 221 HG23 VAL 27 HG23 VAL 27 2.369 -2.480 3.755 222 H LYS 28 HN LYS 28 6.194 -4.214 1.571 223 HA LYS 28 HA LYS 28 6.996 -6.076 -0.312 224 HB2 LYS 28 HB2 LYS 28 7.812 -5.689 2.559 225 HB3 LYS 28 HB1 LYS 28 8.574 -6.892 1.530 226 HG2 LYS 28 HG2 LYS 28 9.284 -5.145 -0.012 227 HG3 LYS 28 HG1 LYS 28 8.491 -3.928 0.992 228 HD2 LYS 28 HD2 LYS 28 9.973 -4.488 2.851 229 HD3 LYS 28 HD1 LYS 28 10.754 -5.724 1.864 230 HE2 LYS 28 HE2 LYS 28 11.491 -4.004 0.292 231 HE3 LYS 28 HE1 LYS 28 10.704 -2.767 1.272 232 HZ1 LYS 28 HZ1 LYS 28 12.189 -3.317 3.096 233 HZ2 LYS 28 HZ2 LYS 28 13.073 -2.879 1.722 234 HZ3 LYS 28 HZ3 LYS 28 12.941 -4.508 2.158 235 H ASP 29 HN ASP 29 6.091 -7.074 3.032 236 HA ASP 29 HA ASP 29 4.978 -9.536 1.854 237 HB2 ASP 29 HB2 ASP 29 6.574 -9.172 4.387 238 HB3 ASP 29 HB1 ASP 29 5.622 -10.618 4.067 239 H LYS 30 HN LYS 30 4.732 -7.253 4.563 240 HA LYS 30 HA LYS 30 2.000 -8.214 5.086 241 HB2 LYS 30 HB2 LYS 30 3.851 -6.648 6.891 242 HB3 LYS 30 HB1 LYS 30 2.249 -7.222 7.316 243 HG2 LYS 30 HG2 LYS 30 2.940 -9.479 7.309 244 HG3 LYS 30 HG1 LYS 30 4.460 -9.085 6.505 245 HD2 LYS 30 HD2 LYS 30 4.902 -7.634 8.616 246 HD3 LYS 30 HD1 LYS 30 3.650 -8.637 9.354 247 HE2 LYS 30 HE2 LYS 30 4.919 -10.644 8.771 248 HE3 LYS 30 HE1 LYS 30 6.165 -9.642 8.027 249 HZ1 LYS 30 HZ1 LYS 30 6.598 -8.640 10.182 250 HZ2 LYS 30 HZ2 LYS 30 6.788 -10.319 10.260 251 HZ3 LYS 30 HZ3 LYS 30 5.398 -9.596 10.898 252 H VAL 31 HN VAL 31 0.294 -6.827 5.106 253 HA VAL 31 HA VAL 31 0.769 -4.131 4.039 254 HB VAL 31 HB VAL 31 -1.931 -5.487 4.203 255 HG11 VAL 31 HG11 VAL 31 -1.979 -3.085 3.807 256 HG12 VAL 31 HG12 VAL 31 -2.511 -3.960 2.370 257 HG13 VAL 31 HG13 VAL 31 -0.887 -3.274 2.435 258 HG21 VAL 31 HG21 VAL 31 -0.489 -6.970 2.917 259 HG22 VAL 31 HG22 VAL 31 0.013 -5.622 1.898 260 HG23 VAL 31 HG23 VAL 31 -1.660 -6.178 1.863 261 H TYR 32 HN TYR 32 -0.023 -2.306 5.069 262 HA TYR 32 HA TYR 32 -1.156 -2.694 7.768 263 HB2 TYR 32 HB2 TYR 32 0.827 -0.528 7.049 264 HB3 TYR 32 HB1 TYR 32 0.233 -0.947 8.651 265 HD1 TYR 32 HD1 TYR 32 2.498 -1.906 5.936 266 HD2 TYR 32 HD2 TYR 32 1.146 -2.841 9.852 267 HE1 TYR 32 HE1 TYR 32 4.414 -3.417 6.223 268 HE2 TYR 32 HE2 TYR 32 3.065 -4.345 10.164 269 HH TYR 32 HH TYR 32 5.730 -4.387 8.069 270 H HIS 33 HN HIS 33 -2.547 -1.053 8.539 271 HA HIS 33 HA HIS 33 -4.245 0.162 6.629 272 HB2 HIS 33 HB2 HIS 33 -3.967 0.452 9.613 273 HB3 HIS 33 HB1 HIS 33 -5.112 1.428 8.708 274 HD2 HIS 33 HD2 HIS 33 -6.906 -0.460 7.093 275 HE1 HIS 33 HE1 HIS 33 -6.881 -3.169 10.367 276 HE2 HIS 33 HE2 HIS 33 -7.996 -2.535 8.196 277 H LEU 34 HN LEU 34 -4.711 2.461 6.361 278 HA LEU 34 HA LEU 34 -2.399 4.029 5.893 279 HB2 LEU 34 HB2 LEU 34 -4.012 5.876 5.402 280 HB3 LEU 34 HB1 LEU 34 -4.285 4.405 4.495 281 HG LEU 34 HG LEU 34 -5.957 4.103 6.678 282 HD11 LEU 34 HD11 LEU 34 -6.118 6.964 5.744 283 HD12 LEU 34 HD12 LEU 34 -5.512 6.442 7.314 284 HD13 LEU 34 HD13 LEU 34 -7.199 6.163 6.885 285 HD21 LEU 34 HD21 LEU 34 -6.450 3.543 4.349 286 HD22 LEU 34 HD22 LEU 34 -6.596 5.258 3.965 287 HD23 LEU 34 HD23 LEU 34 -7.746 4.499 5.068 288 H GLU 35 HN GLU 35 -4.907 4.184 8.401 289 HA GLU 35 HA GLU 35 -3.861 6.393 9.832 290 HB2 GLU 35 HB2 GLU 35 -5.698 4.142 10.650 291 HB3 GLU 35 HB1 GLU 35 -5.267 5.458 11.732 292 HG2 GLU 35 HG2 GLU 35 -6.208 7.053 10.079 293 HG3 GLU 35 HG1 GLU 35 -6.746 5.674 9.120 294 H CYS 36 HN CYS 36 -3.152 2.979 9.861 295 HA CYS 36 HA CYS 36 -1.574 3.058 12.291 296 HB2 CYS 36 HB2 CYS 36 -1.820 0.817 10.273 297 HB3 CYS 36 HB1 CYS 36 -1.240 0.689 11.929 298 H PHE 37 HN PHE 37 -1.024 4.043 9.187 299 HA PHE 37 HA PHE 37 1.744 3.170 8.970 300 HB2 PHE 37 HB2 PHE 37 0.022 3.384 7.035 301 HB3 PHE 37 HB1 PHE 37 0.361 5.107 7.114 302 HD1 PHE 37 HD2 PHE 37 2.084 1.816 6.748 303 HD2 PHE 37 HD1 PHE 37 2.096 5.983 5.855 304 HE1 PHE 37 HE2 PHE 37 4.028 1.491 5.278 305 HE2 PHE 37 HE1 PHE 37 4.043 5.659 4.386 306 HZ PHE 37 HZ PHE 37 5.010 3.415 4.096 307 H LYS 38 HN LYS 38 1.946 4.360 11.145 308 HA LYS 38 HA LYS 38 2.772 7.156 10.680 309 HB2 LYS 38 HB2 LYS 38 1.675 5.917 13.214 310 HB3 LYS 38 HB1 LYS 38 2.306 7.551 13.093 311 HG2 LYS 38 HG2 LYS 38 0.538 8.084 11.464 312 HG3 LYS 38 HG1 LYS 38 -0.115 6.459 11.672 313 HD2 LYS 38 HD2 LYS 38 -0.414 6.934 14.085 314 HD3 LYS 38 HD1 LYS 38 0.134 8.586 13.798 315 HE2 LYS 38 HE2 LYS 38 -1.733 8.940 12.263 316 HE3 LYS 38 HE1 LYS 38 -2.277 7.286 12.536 317 HZ1 LYS 38 HZ1 LYS 38 -2.113 9.419 14.597 318 HZ2 LYS 38 HZ2 LYS 38 -2.625 7.830 14.868 319 HZ3 LYS 38 HZ3 LYS 38 -3.531 8.851 13.870 320 H CYS 39 HN CYS 39 4.546 7.926 12.049 321 HA CYS 39 HA CYS 39 6.784 6.195 12.024 322 HB2 CYS 39 HB2 CYS 39 6.965 8.639 11.754 323 HB3 CYS 39 HB1 CYS 39 6.467 8.856 13.428 324 H ALA 40 HN ALA 40 7.986 5.293 13.688 325 HA ALA 40 HA ALA 40 6.458 4.585 16.066 326 HB1 ALA 40 HB1 ALA 40 7.933 2.778 16.333 327 HB2 ALA 40 HB2 ALA 40 9.172 3.533 15.332 328 HB3 ALA 40 HB3 ALA 40 7.695 2.919 14.592 329 H ALA 41 HN ALA 41 8.575 7.016 15.290 330 HA ALA 41 HA ALA 41 9.720 7.124 18.000 331 HB1 ALA 41 HB1 ALA 41 10.748 8.507 15.529 332 HB2 ALA 41 HB2 ALA 41 11.363 6.981 16.163 333 HB3 ALA 41 HB3 ALA 41 11.517 8.458 17.115 334 H CYS 42 HN CYS 42 8.333 9.216 15.442 335 HA CYS 42 HA CYS 42 7.633 11.150 17.553 336 HB2 CYS 42 HB2 CYS 42 7.715 12.915 15.908 337 HB3 CYS 42 HB1 CYS 42 9.222 12.011 15.857 338 H GLN 43 HN GLN 43 6.283 8.813 15.650 339 HA GLN 43 HA GLN 43 4.182 8.166 15.116 340 HB2 GLN 43 HB2 GLN 43 3.542 10.294 17.142 341 HB3 GLN 43 HB1 GLN 43 2.264 9.411 16.320 342 HG2 GLN 43 HG2 GLN 43 4.452 7.937 17.726 343 HG3 GLN 43 HG1 GLN 43 3.097 8.605 18.634 344 HE21 GLN 43 HE21 GLN 43 4.099 6.245 16.292 345 HE22 GLN 43 HE22 GLN 43 2.652 5.301 16.321 346 H LYS 44 HN LYS 44 5.529 10.578 13.709 347 HA LYS 44 HA LYS 44 3.490 12.232 12.650 348 HB2 LYS 44 HB2 LYS 44 6.122 12.434 12.624 349 HB3 LYS 44 HB1 LYS 44 5.958 11.626 11.073 350 HG2 LYS 44 HG2 LYS 44 4.484 13.419 10.296 351 HG3 LYS 44 HG1 LYS 44 4.657 14.230 11.854 352 HD2 LYS 44 HD2 LYS 44 7.064 14.448 11.475 353 HD3 LYS 44 HD1 LYS 44 6.899 13.624 9.924 354 HE2 LYS 44 HE2 LYS 44 5.428 16.163 10.594 355 HE3 LYS 44 HE1 LYS 44 7.025 16.154 9.851 356 HZ1 LYS 44 HZ1 LYS 44 4.581 14.906 8.712 357 HZ2 LYS 44 HZ2 LYS 44 6.114 14.896 7.996 358 HZ3 LYS 44 HZ3 LYS 44 5.283 16.356 8.193 359 H HIS 45 HN HIS 45 2.882 12.325 10.319 360 HA HIS 45 HA HIS 45 2.044 9.677 9.411 361 HB2 HIS 45 HB2 HIS 45 1.176 12.473 8.657 362 HB3 HIS 45 HB1 HIS 45 0.614 11.040 7.805 363 HD1 HIS 45 HD1 HIS 45 -1.450 10.002 8.699 364 HD2 HIS 45 HD2 HIS 45 0.429 12.401 11.525 365 HE1 HIS 45 HE1 HIS 45 -3.008 10.065 10.670 366 HE2 HIS 45 HE2 HIS 45 -1.891 11.593 12.334 367 H PHE 46 HN PHE 46 2.220 9.040 7.202 368 HA PHE 46 HA PHE 46 4.562 10.196 5.835 369 HB2 PHE 46 HB2 PHE 46 3.529 7.364 5.899 370 HB3 PHE 46 HB1 PHE 46 4.750 7.907 4.767 371 HD1 PHE 46 HD1 PHE 46 4.087 7.950 8.451 372 HD2 PHE 46 HD2 PHE 46 6.946 7.525 5.319 373 HE1 PHE 46 HE1 PHE 46 5.818 7.457 10.111 374 HE2 PHE 46 HE2 PHE 46 8.687 7.030 6.982 375 HZ PHE 46 HZ PHE 46 8.127 6.997 9.383 376 H SER 47 HN SER 47 4.472 10.603 3.683 377 HA SER 47 HA SER 47 1.845 10.369 2.371 378 HB2 SER 47 HB2 SER 47 2.425 12.501 1.176 379 HB3 SER 47 HB1 SER 47 2.200 12.690 2.914 380 HG SER 47 HG SER 47 4.063 13.724 2.561 381 H VAL 48 HN VAL 48 1.887 10.287 0.020 382 HA VAL 48 HA VAL 48 3.744 8.404 -0.986 383 HB VAL 48 HB VAL 48 2.682 8.932 -3.251 384 HG11 VAL 48 HG11 VAL 48 0.927 8.059 -0.961 385 HG12 VAL 48 HG12 VAL 48 2.021 7.038 -1.894 386 HG13 VAL 48 HG13 VAL 48 0.609 7.756 -2.669 387 HG21 VAL 48 HG21 VAL 48 0.539 10.135 -3.210 388 HG22 VAL 48 HG22 VAL 48 1.884 11.196 -2.794 389 HG23 VAL 48 HG23 VAL 48 0.823 10.582 -1.528 390 H GLY 49 HN GLY 49 5.528 8.559 -2.230 391 HA2 GLY 49 HA2 GLY 49 6.889 9.725 -3.859 392 HA3 GLY 49 HA1 GLY 49 6.360 11.239 -3.145 393 H ASP 50 HN ASP 50 6.775 9.962 -0.403 394 HA ASP 50 HA ASP 50 9.633 10.583 -0.232 395 HB2 ASP 50 HB2 ASP 50 7.445 10.469 1.848 396 HB3 ASP 50 HB1 ASP 50 9.144 10.665 2.262 397 H ARG 51 HN ARG 51 11.084 9.280 0.956 398 HA ARG 51 HA ARG 51 10.574 6.437 0.725 399 HB2 ARG 51 HB2 ARG 51 13.038 7.992 1.530 400 HB3 ARG 51 HB1 ARG 51 12.977 6.240 1.419 401 HG2 ARG 51 HG2 ARG 51 12.293 6.548 -0.995 402 HG3 ARG 51 HG1 ARG 51 12.721 8.247 -0.800 403 HD2 ARG 51 HD2 ARG 51 14.992 7.611 -0.171 404 HD3 ARG 51 HD1 ARG 51 14.568 5.908 -0.337 405 HE ARG 51 HE ARG 51 14.049 7.359 -2.733 406 HH11 ARG 51 HH11 ARG 51 16.657 5.865 -0.916 407 HH12 ARG 51 HH12 ARG 51 17.644 5.616 -2.318 408 HH21 ARG 51 HH21 ARG 51 15.358 7.022 -4.553 409 HH22 ARG 51 HH22 ARG 51 16.908 6.270 -4.374 410 H TYR 52 HN TYR 52 10.378 4.975 2.373 411 HA TYR 52 HA TYR 52 10.506 6.021 5.121 412 HB2 TYR 52 HB2 TYR 52 8.487 4.898 5.735 413 HB3 TYR 52 HB1 TYR 52 8.144 5.826 4.286 414 HD1 TYR 52 HD2 TYR 52 7.929 4.619 2.085 415 HD2 TYR 52 HD1 TYR 52 8.196 2.536 5.791 416 HE1 TYR 52 HE2 TYR 52 7.033 2.596 1.013 417 HE2 TYR 52 HE1 TYR 52 7.299 0.517 4.727 418 HH TYR 52 HH TYR 52 7.047 0.163 1.363 419 H LEU 53 HN LEU 53 10.923 4.476 6.780 420 HA LEU 53 HA LEU 53 12.395 2.116 5.824 421 HB2 LEU 53 HB2 LEU 53 13.697 3.857 7.044 422 HB3 LEU 53 HB1 LEU 53 12.678 3.597 8.445 423 HG LEU 53 HG LEU 53 13.609 1.062 7.917 424 HD11 LEU 53 HD11 LEU 53 15.161 1.900 6.236 425 HD12 LEU 53 HD12 LEU 53 16.021 1.261 7.638 426 HD13 LEU 53 HD13 LEU 53 15.857 3.002 7.422 427 HD21 LEU 53 HD21 LEU 53 13.397 2.130 10.097 428 HD22 LEU 53 HD22 LEU 53 14.794 3.146 9.743 429 HD23 LEU 53 HD23 LEU 53 14.991 1.400 9.898 430 H LEU 54 HN LEU 54 11.702 0.151 6.381 431 HA LEU 54 HA LEU 54 9.406 -0.066 8.183 432 HB2 LEU 54 HB2 LEU 54 9.530 -1.044 5.771 433 HB3 LEU 54 HB1 LEU 54 10.501 -2.306 6.502 434 HG LEU 54 HG LEU 54 7.843 -1.725 7.722 435 HD11 LEU 54 HD11 LEU 54 8.219 -3.248 5.147 436 HD12 LEU 54 HD12 LEU 54 7.328 -1.740 5.352 437 HD13 LEU 54 HD13 LEU 54 6.745 -3.219 6.115 438 HD21 LEU 54 HD21 LEU 54 9.329 -3.387 8.721 439 HD22 LEU 54 HD22 LEU 54 9.390 -4.262 7.192 440 HD23 LEU 54 HD23 LEU 54 7.871 -4.144 8.080 441 H ILE 55 HN ILE 55 10.008 -0.291 10.237 442 HA ILE 55 HA ILE 55 12.358 -1.886 10.899 443 HB ILE 55 HB ILE 55 11.654 0.486 11.905 444 HG12 ILE 55 HG12 ILE 55 12.983 -0.315 14.038 445 HG13 ILE 55 HG11 ILE 55 13.190 -1.784 13.092 446 HG21 ILE 55 HG21 ILE 55 10.594 -1.370 14.023 447 HG22 ILE 55 HG22 ILE 55 9.576 -0.398 12.959 448 HG23 ILE 55 HG23 ILE 55 10.682 0.392 14.083 449 HD11 ILE 55 HD11 ILE 55 13.943 0.958 12.110 450 HD12 ILE 55 HD12 ILE 55 14.328 -0.595 11.367 451 HD13 ILE 55 HD13 ILE 55 15.058 -0.150 12.910 452 H ASN 56 HN ASN 56 12.050 -3.132 13.113 453 HA ASN 56 HA ASN 56 10.737 -5.490 12.644 454 HB2 ASN 56 HB2 ASN 56 11.291 -4.306 15.367 455 HB3 ASN 56 HB1 ASN 56 11.056 -6.010 15.003 456 HD21 ASN 56 HD21 ASN 56 13.171 -3.269 14.652 457 HD22 ASN 56 HD22 ASN 56 14.597 -4.159 14.264 458 H SER 57 HN SER 57 9.381 -2.646 14.262 459 HA SER 57 HA SER 57 6.866 -4.117 14.645 460 HB2 SER 57 HB2 SER 57 7.925 -3.133 16.681 461 HB3 SER 57 HB1 SER 57 7.697 -1.532 15.981 462 HG SER 57 HG SER 57 5.378 -2.818 15.862 463 H ASP 58 HN ASP 58 7.564 -0.623 14.193 464 HA ASP 58 HA ASP 58 5.481 -0.589 12.106 465 HB2 ASP 58 HB2 ASP 58 6.031 1.364 14.334 466 HB3 ASP 58 HB1 ASP 58 5.101 1.825 12.913 467 H ILE 59 HN ILE 59 5.751 2.024 11.238 468 HA ILE 59 HA ILE 59 8.275 1.896 9.764 469 HB ILE 59 HB ILE 59 5.854 3.675 9.320 470 HG12 ILE 59 HG12 ILE 59 5.895 2.107 7.144 471 HG13 ILE 59 HG11 ILE 59 6.603 0.985 8.302 472 HG21 ILE 59 HG21 ILE 59 7.624 4.848 8.357 473 HG22 ILE 59 HG22 ILE 59 6.919 3.946 7.015 474 HG23 ILE 59 HG23 ILE 59 8.406 3.378 7.780 475 HD11 ILE 59 HD11 ILE 59 4.664 1.128 9.704 476 HD12 ILE 59 HD12 ILE 59 4.154 0.764 8.055 477 HD13 ILE 59 HD13 ILE 59 3.975 2.399 8.694 478 H VAL 60 HN VAL 60 9.801 3.524 9.765 479 HA VAL 60 HA VAL 60 9.467 5.659 11.778 480 HB VAL 60 HB VAL 60 12.164 4.509 11.043 481 HG11 VAL 60 HG11 VAL 60 12.214 6.679 12.117 482 HG12 VAL 60 HG12 VAL 60 12.824 5.451 13.226 483 HG13 VAL 60 HG13 VAL 60 11.192 6.086 13.427 484 HG21 VAL 60 HG21 VAL 60 12.101 3.127 13.051 485 HG22 VAL 60 HG22 VAL 60 10.814 2.664 11.937 486 HG23 VAL 60 HG23 VAL 60 10.441 3.633 13.363 487 H CYS 61 HN CYS 61 9.642 7.671 11.050 488 HA CYS 61 HA CYS 61 9.990 8.312 8.326 489 HB2 CYS 61 HB2 CYS 61 9.610 10.553 8.952 490 HB3 CYS 61 HB1 CYS 61 8.685 9.598 10.103 491 H GLU 62 HN GLU 62 11.572 9.694 7.334 492 HA GLU 62 HA GLU 62 14.237 8.924 7.678 493 HB2 GLU 62 HB2 GLU 62 12.990 11.247 6.225 494 HB3 GLU 62 HB1 GLU 62 14.723 10.954 6.202 495 HG2 GLU 62 HG2 GLU 62 14.339 8.752 5.214 496 HG3 GLU 62 HG1 GLU 62 12.601 9.049 5.234 497 H GLN 63 HN GLN 63 12.419 11.388 9.271 498 HA GLN 63 HA GLN 63 14.537 13.080 10.119 499 HB2 GLN 63 HB2 GLN 63 11.918 13.390 10.154 500 HB3 GLN 63 HB1 GLN 63 12.071 12.716 11.769 501 HG2 GLN 63 HG2 GLN 63 13.620 14.510 12.372 502 HG3 GLN 63 HG1 GLN 63 13.471 15.183 10.749 503 HE21 GLN 63 HE21 GLN 63 11.558 16.203 10.150 504 HE22 GLN 63 HE22 GLN 63 10.390 16.723 11.311 505 H ASP 64 HN ASP 64 13.018 10.223 11.560 506 HA ASP 64 HA ASP 64 14.991 10.267 13.753 507 HB2 ASP 64 HB2 ASP 64 12.444 8.644 13.698 508 HB3 ASP 64 HB1 ASP 64 13.468 8.988 15.082 509 H ILE 65 HN ILE 65 14.774 8.883 10.828 510 HA ILE 65 HA ILE 65 14.929 6.122 11.153 511 HB ILE 65 HB ILE 65 14.634 7.125 8.974 512 HG12 ILE 65 HG12 ILE 65 16.757 5.124 9.470 513 HG13 ILE 65 HG11 ILE 65 15.299 5.000 8.498 514 HG21 ILE 65 HG21 ILE 65 16.463 8.180 7.720 515 HG22 ILE 65 HG22 ILE 65 17.489 8.086 9.152 516 HG23 ILE 65 HG23 ILE 65 16.038 9.089 9.172 517 HD11 ILE 65 HD11 ILE 65 17.862 6.342 7.669 518 HD12 ILE 65 HD12 ILE 65 16.406 6.184 6.680 519 HD13 ILE 65 HD13 ILE 65 17.313 4.745 7.155 520 H TYR 66 HN TYR 66 17.685 8.392 11.004 521 HA TYR 66 HA TYR 66 19.724 6.505 11.349 522 HB2 TYR 66 HB2 TYR 66 20.071 8.790 10.491 523 HB3 TYR 66 HB1 TYR 66 19.726 9.443 12.087 524 HD1 TYR 66 HD2 TYR 66 21.347 9.264 13.879 525 HD2 TYR 66 HD1 TYR 66 22.196 7.699 10.016 526 HE1 TYR 66 HE2 TYR 66 23.713 9.092 14.485 527 HE2 TYR 66 HE1 TYR 66 24.579 7.523 10.609 528 HH TYR 66 HH TYR 66 25.708 7.822 13.797 529 H GLU 67 HN GLU 67 18.237 8.639 13.813 530 HA GLU 67 HA GLU 67 19.727 7.663 16.001 531 HB2 GLU 67 HB2 GLU 67 17.126 9.169 15.814 532 HB3 GLU 67 HB1 GLU 67 17.819 8.704 17.361 533 HG2 GLU 67 HG2 GLU 67 19.840 9.975 16.839 534 HG3 GLU 67 HG1 GLU 67 19.142 10.443 15.289 535 H TRP 68 HN TRP 68 16.549 6.689 14.726 536 HA TRP 68 HA TRP 68 15.827 4.962 16.850 537 HB2 TRP 68 HB2 TRP 68 14.225 5.879 15.186 538 HB3 TRP 68 HB1 TRP 68 14.935 4.837 13.959 539 HD1 TRP 68 HD1 TRP 68 14.275 2.290 13.973 540 HE1 TRP 68 HE1 TRP 68 12.427 0.958 15.172 541 HE3 TRP 68 HE3 TRP 68 12.881 5.770 17.461 542 HZ2 TRP 68 HZ2 TRP 68 10.624 1.326 17.308 543 HZ3 TRP 68 HZ3 TRP 68 11.090 5.194 19.044 544 HH2 TRP 68 HH2 TRP 68 9.985 3.020 18.968 545 H THR 69 HN THR 69 17.178 4.181 13.623 546 HA THR 69 HA THR 69 17.478 1.414 14.007 547 HB THR 69 HB THR 69 19.225 1.561 12.183 548 HG1 THR 69 HG1 THR 69 19.396 3.631 11.167 549 HG21 THR 69 HG21 THR 69 17.621 2.192 10.435 550 HG22 THR 69 HG22 THR 69 16.573 2.912 11.658 551 HG23 THR 69 HG23 THR 69 16.869 1.173 11.663 552 H LYS 70 HN LYS 70 19.431 4.093 14.970 553 HA LYS 70 HA LYS 70 21.897 2.819 15.482 554 HB2 LYS 70 HB2 LYS 70 21.226 5.335 15.318 555 HB3 LYS 70 HB1 LYS 70 20.910 5.184 17.039 556 HG2 LYS 70 HG2 LYS 70 23.197 4.592 17.462 557 HG3 LYS 70 HG1 LYS 70 23.538 4.547 15.733 558 HD2 LYS 70 HD2 LYS 70 22.961 6.954 15.598 559 HD3 LYS 70 HD1 LYS 70 22.740 6.969 17.348 560 HE2 LYS 70 HE2 LYS 70 25.311 6.149 16.014 561 HE3 LYS 70 HE1 LYS 70 24.963 7.806 16.500 562 HZ1 LYS 70 HZ1 LYS 70 24.717 7.049 18.784 563 HZ2 LYS 70 HZ2 LYS 70 26.246 6.645 18.184 564 HZ3 LYS 70 HZ3 LYS 70 25.050 5.456 18.316 565 H ILE 71 HN ILE 71 19.033 3.304 17.495 566 HA ILE 71 HA ILE 71 20.314 2.282 19.888 567 HB ILE 71 HB ILE 71 17.357 2.801 19.597 568 HG12 ILE 71 HG12 ILE 71 18.391 4.859 18.845 569 HG13 ILE 71 HG11 ILE 71 17.750 5.109 20.459 570 HG21 ILE 71 HG21 ILE 71 19.175 2.873 22.002 571 HG22 ILE 71 HG22 ILE 71 17.980 1.635 21.619 572 HG23 ILE 71 HG23 ILE 71 17.457 3.273 22.008 573 HD11 ILE 71 HD11 ILE 71 19.894 6.216 20.175 574 HD12 ILE 71 HD12 ILE 71 20.653 4.681 19.755 575 HD13 ILE 71 HD13 ILE 71 20.016 4.933 21.379 576 H ASN 72 HN ASN 72 17.705 1.141 17.715 577 HA ASN 72 HA ASN 72 17.680 -1.421 19.114 578 HB2 ASN 72 HB2 ASN 72 15.745 -1.922 17.492 579 HB3 ASN 72 HB1 ASN 72 15.480 -0.732 18.756 580 HD21 ASN 72 HD21 ASN 72 14.838 1.248 18.208 581 HD22 ASN 72 HD22 ASN 72 14.698 1.836 16.588 582 H GLY 73 HN GLY 73 19.628 -0.258 16.845 583 HA2 GLY 73 HA2 GLY 73 19.836 -2.862 15.458 584 HA3 GLY 73 HA1 GLY 73 20.081 -1.340 14.615 585 H GLY 74 HN GLY 74 22.000 -0.235 14.833 586 HA2 GLY 74 HA2 GLY 74 24.079 0.170 16.033 587 HA3 GLY 74 HA1 GLY 74 24.093 -1.534 16.461 588 H SER 75 HN SER 75 26.121 -1.920 15.617 589 HA SER 75 HA SER 75 26.279 -1.905 12.677 590 HB2 SER 75 HB2 SER 75 28.747 -1.507 12.931 591 HB3 SER 75 HB1 SER 75 27.743 -0.150 13.438 592 HG SER 75 HG SER 75 29.528 -0.842 14.885 593 H GLY 76 HN GLY 76 27.286 -3.651 11.702 594 HA2 GLY 76 HA2 GLY 76 27.994 -5.903 13.481 595 HA3 GLY 76 HA1 GLY 76 26.995 -6.128 12.054 596 H GLY 77 HN GLY 77 27.941 -5.868 9.973 597 HA2 GLY 77 HA2 GLY 77 30.764 -5.437 9.666 598 HA3 GLY 77 HA1 GLY 77 30.326 -7.134 9.528 599 H SER 78 HN SER 78 30.151 -7.768 7.505 600 HA SER 78 HA SER 78 29.382 -5.838 5.437 601 HB2 SER 78 HB2 SER 78 30.647 -8.577 5.184 602 HB3 SER 78 HB1 SER 78 30.293 -7.492 3.841 603 HG SER 78 HG SER 78 31.709 -6.243 5.784 604 H GLY 79 HN GLY 79 28.541 -9.059 6.670 605 HA2 GLY 79 HA2 GLY 79 25.945 -8.829 5.275 606 HA3 GLY 79 HA1 GLY 79 26.827 -10.347 5.339 607 H GLY 80 HN GLY 80 25.251 -7.894 7.343 608 HA2 GLY 80 HA2 GLY 80 24.433 -10.029 9.197 609 HA3 GLY 80 HA1 GLY 80 25.176 -8.569 9.834 610 H SER 81 HN SER 81 23.991 -6.726 10.038 611 HA SER 81 HA SER 81 21.105 -6.994 9.587 612 HB2 SER 81 HB2 SER 81 22.640 -5.063 11.343 613 HB3 SER 81 HB1 SER 81 20.884 -5.143 11.211 614 HG SER 81 HG SER 81 22.607 -6.729 12.621 615 H GLY 82 HN GLY 82 20.045 -5.774 8.162 616 HA2 GLY 82 HA2 GLY 82 20.975 -3.187 7.313 617 HA3 GLY 82 HA1 GLY 82 21.176 -4.423 6.081 618 H GLY 83 HN GLY 83 19.700 -3.651 4.633 619 HA2 GLY 83 HA2 GLY 83 17.241 -4.461 4.307 620 HA3 GLY 83 HA1 GLY 83 16.935 -3.239 5.531 621 H ASP 84 HN ASP 84 15.951 -3.376 2.802 622 HA ASP 84 HA ASP 84 17.283 -1.106 1.509 623 HB2 ASP 84 HB2 ASP 84 15.261 -3.110 0.501 624 HB3 ASP 84 HB1 ASP 84 15.746 -1.692 -0.423 625 H VAL 85 HN VAL 85 16.174 0.758 0.909 626 HA VAL 85 HA VAL 85 13.756 1.296 2.491 627 HB VAL 85 HB VAL 85 15.430 3.401 1.104 628 HG11 VAL 85 HG11 VAL 85 14.442 4.928 2.676 629 HG12 VAL 85 HG12 VAL 85 13.667 3.604 3.546 630 HG13 VAL 85 HG13 VAL 85 13.150 4.004 1.909 631 HG21 VAL 85 HG21 VAL 85 16.589 3.775 3.242 632 HG22 VAL 85 HG22 VAL 85 16.938 2.183 2.572 633 HG23 VAL 85 HG23 VAL 85 15.800 2.346 3.909 634 H MET 86 HN MET 86 11.857 1.616 1.561 635 HA MET 86 HA MET 86 11.739 1.979 -1.364 636 HB2 MET 86 HB2 MET 86 10.080 0.257 0.459 637 HB3 MET 86 HB1 MET 86 9.456 0.788 -1.097 638 HG2 MET 86 HG2 MET 86 11.369 -0.273 -2.210 639 HG3 MET 86 HG1 MET 86 11.953 -0.832 -0.645 640 HE1 MET 86 HE1 MET 86 10.642 -4.086 -2.455 641 HE2 MET 86 HE2 MET 86 12.058 -3.236 -1.834 642 HE3 MET 86 HE3 MET 86 11.268 -2.677 -3.308 643 H VAL 87 HN VAL 87 9.781 3.046 -2.170 644 HA VAL 87 HA VAL 87 9.038 5.306 -0.504 645 HB VAL 87 HB VAL 87 8.007 4.957 -3.298 646 HG11 VAL 87 HG11 VAL 87 7.302 6.885 -2.019 647 HG12 VAL 87 HG12 VAL 87 8.325 7.387 -3.366 648 HG13 VAL 87 HG13 VAL 87 8.982 7.332 -1.730 649 HG21 VAL 87 HG21 VAL 87 10.831 5.830 -2.670 650 HG22 VAL 87 HG22 VAL 87 10.049 5.921 -4.249 651 HG23 VAL 87 HG23 VAL 87 10.367 4.352 -3.511 652 H VAL 88 HN VAL 88 6.886 5.895 -0.038 653 HA VAL 88 HA VAL 88 5.103 3.781 0.565 654 HB VAL 88 HB VAL 88 4.317 6.698 0.408 655 HG11 VAL 88 HG11 VAL 88 2.762 6.139 2.202 656 HG12 VAL 88 HG12 VAL 88 3.328 4.469 2.184 657 HG13 VAL 88 HG13 VAL 88 2.479 5.127 0.785 658 HG21 VAL 88 HG21 VAL 88 5.651 5.304 2.728 659 HG22 VAL 88 HG22 VAL 88 5.042 6.959 2.714 660 HG23 VAL 88 HG23 VAL 88 6.402 6.513 1.686 661 H GLY 89 HN GLY 89 4.069 2.619 -0.902 662 HA2 GLY 89 HA2 GLY 89 3.427 3.442 -3.538 663 HA3 GLY 89 HA1 GLY 89 2.848 1.989 -2.742 664 H GLU 90 HN GLU 90 1.432 3.813 -4.541 665 HA GLU 90 HA GLU 90 -0.401 5.434 -3.127 666 HB2 GLU 90 HB2 GLU 90 -0.483 4.190 -5.869 667 HB3 GLU 90 HB1 GLU 90 -1.790 5.195 -5.262 668 HG2 GLU 90 HG2 GLU 90 -0.246 7.063 -5.001 669 HG3 GLU 90 HG1 GLU 90 1.077 6.056 -5.588 670 HA PRO 91 HA PRO 91 -3.228 2.283 -1.630 671 HB2 PRO 91 HB2 PRO 91 -5.459 4.088 -1.454 672 HB3 PRO 91 HB1 PRO 91 -4.410 3.525 -0.155 673 HG2 PRO 91 HG2 PRO 91 -4.493 6.123 -1.055 674 HG3 PRO 91 HG1 PRO 91 -3.105 5.395 -0.230 675 HD2 PRO 91 HD2 PRO 91 -3.544 5.864 -3.154 676 HD3 PRO 91 HD1 PRO 91 -2.065 6.043 -2.188 677 H THR 92 HN THR 92 -5.053 1.027 -2.173 678 HA THR 92 HA THR 92 -6.188 1.568 -4.842 679 HB THR 92 HB THR 92 -6.465 -0.959 -5.003 680 HG1 THR 92 HG1 THR 92 -5.225 -0.749 -2.571 681 HG21 THR 92 HG21 THR 92 -3.658 0.155 -4.932 682 HG22 THR 92 HG22 THR 92 -4.775 0.245 -6.294 683 HG23 THR 92 HG23 THR 92 -4.158 -1.318 -5.761 684 H LEU 93 HN LEU 93 -8.259 2.043 -4.765 685 HA LEU 93 HA LEU 93 -9.926 1.683 -2.509 686 HB2 LEU 93 HB2 LEU 93 -10.049 3.382 -4.485 687 HB3 LEU 93 HB1 LEU 93 -10.994 2.138 -5.275 688 HG LEU 93 HG LEU 93 -11.844 2.961 -2.542 689 HD11 LEU 93 HD11 LEU 93 -13.100 4.861 -3.447 690 HD12 LEU 93 HD12 LEU 93 -12.295 4.646 -5.002 691 HD13 LEU 93 HD13 LEU 93 -11.357 5.102 -3.579 692 HD21 LEU 93 HD21 LEU 93 -13.353 2.340 -5.082 693 HD22 LEU 93 HD22 LEU 93 -14.054 2.578 -3.481 694 HD23 LEU 93 HD23 LEU 93 -13.010 1.191 -3.789 695 H MET 94 HN MET 94 -11.136 0.051 -1.869 696 HA MET 94 HA MET 94 -11.852 -2.103 -1.646 697 HB2 MET 94 HB2 MET 94 -13.280 -1.112 -4.101 698 HB3 MET 94 HB1 MET 94 -13.655 -2.668 -3.377 699 HG2 MET 94 HG2 MET 94 -13.813 -0.017 -1.958 700 HG3 MET 94 HG1 MET 94 -15.180 -0.880 -2.661 701 HE1 MET 94 HE1 MET 94 -15.110 0.107 0.368 702 HE2 MET 94 HE2 MET 94 -15.776 -1.306 1.187 703 HE3 MET 94 HE3 MET 94 -16.467 -0.768 -0.344 704 H GLY 95 HN GLY 95 -11.842 -2.285 -5.210 705 HA2 GLY 95 HA2 GLY 95 -10.225 -4.734 -4.986 706 HA3 GLY 95 HA1 GLY 95 -11.280 -4.326 -6.330 707 H GLY 96 HN GLY 96 -10.621 -2.469 -7.682 708 HA2 GLY 96 HA2 GLY 96 -8.856 -0.944 -8.367 709 HA3 GLY 96 HA1 GLY 96 -7.692 -2.100 -7.736 710 H GLU 97 HN GLU 97 -7.728 -0.938 -10.355 711 HA GLU 97 HA GLU 97 -7.405 -1.429 -12.535 712 HB2 GLU 97 HB2 GLU 97 -6.527 -3.711 -11.081 713 HB3 GLU 97 HB1 GLU 97 -7.265 -4.264 -12.579 714 HG2 GLU 97 HG2 GLU 97 -5.796 -2.782 -13.848 715 HG3 GLU 97 HG1 GLU 97 -5.062 -2.225 -12.344 716 H PHE 98 HN PHE 98 -8.396 -2.077 -14.454 717 HA PHE 98 HA PHE 98 -11.207 -2.840 -14.136 718 HB2 PHE 98 HB2 PHE 98 -9.715 -1.522 -16.410 719 HB3 PHE 98 HB1 PHE 98 -11.394 -2.036 -16.528 720 HD1 PHE 98 HD2 PHE 98 -13.143 -0.862 -15.337 721 HD2 PHE 98 HD1 PHE 98 -9.082 0.381 -15.061 722 HE1 PHE 98 HE2 PHE 98 -13.869 1.285 -14.378 723 HE2 PHE 98 HE1 PHE 98 -9.801 2.530 -14.101 724 HZ PHE 98 HZ PHE 98 -12.197 2.984 -13.759 725 H GLY 99 HN GLY 99 -8.298 -3.734 -15.960 726 HA2 GLY 99 HA2 GLY 99 -8.457 -6.407 -15.981 727 HA3 GLY 99 HA1 GLY 99 -9.629 -5.988 -17.222 728 H ASP 100 HN ASP 100 -6.567 -6.967 -16.791 729 HA ASP 100 HA ASP 100 -5.711 -5.876 -19.369 730 HB2 ASP 100 HB2 ASP 100 -4.049 -5.867 -16.837 731 HB3 ASP 100 HB1 ASP 100 -3.365 -5.650 -18.444 732 H GLU 101 HN GLU 101 -6.209 -7.834 -20.292 733 HA GLU 101 HA GLU 101 -4.953 -10.282 -19.359 734 HB2 GLU 101 HB2 GLU 101 -7.343 -9.910 -20.438 735 HB3 GLU 101 HB1 GLU 101 -6.451 -10.124 -21.937 736 HG2 GLU 101 HG2 GLU 101 -5.667 -12.305 -21.162 737 HG3 GLU 101 HG1 GLU 101 -6.555 -12.087 -19.655 738 H ASP 102 HN ASP 102 -4.282 -7.783 -21.614 739 HA ASP 102 HA ASP 102 -2.604 -9.373 -23.357 740 HB2 ASP 102 HB2 ASP 102 -3.261 -6.438 -23.222 741 HB3 ASP 102 HB1 ASP 102 -2.051 -7.076 -24.331 742 H GLU 103 HN GLU 103 -2.181 -7.681 -20.412 743 HA GLU 103 HA GLU 103 0.651 -7.166 -20.796 744 HB2 GLU 103 HB2 GLU 103 -1.259 -6.669 -18.528 745 HB3 GLU 103 HB1 GLU 103 0.475 -6.471 -18.324 746 HG2 GLU 103 HG2 GLU 103 0.446 -4.856 -20.217 747 HG3 GLU 103 HG1 GLU 103 -1.313 -4.976 -20.227 748 H ARG 104 HN ARG 104 -1.383 -9.420 -18.970 749 HA ARG 104 HA ARG 104 0.942 -10.709 -17.799 750 HB2 ARG 104 HB2 ARG 104 -0.710 -12.144 -16.625 751 HB3 ARG 104 HB1 ARG 104 -0.942 -10.431 -16.338 752 HG2 ARG 104 HG2 ARG 104 -3.111 -10.991 -16.668 753 HG3 ARG 104 HG1 ARG 104 -2.672 -10.752 -18.360 754 HD2 ARG 104 HD2 ARG 104 -2.330 -13.120 -18.653 755 HD3 ARG 104 HD1 ARG 104 -2.584 -13.409 -16.933 756 HE ARG 104 HE ARG 104 -4.863 -12.150 -17.949 757 HH11 ARG 104 HH11 ARG 104 -3.217 -15.235 -18.281 758 HH12 ARG 104 HH12 ARG 104 -4.673 -16.105 -18.632 759 HH21 ARG 104 HH21 ARG 104 -6.758 -13.312 -18.404 760 HH22 ARG 104 HH22 ARG 104 -6.674 -15.015 -18.703 761 H LEU 105 HN LEU 105 -0.320 -10.865 -20.768 762 HA LEU 105 HA LEU 105 -0.189 -13.769 -21.093 763 HB2 LEU 105 HB2 LEU 105 -1.982 -12.202 -22.126 764 HB3 LEU 105 HB1 LEU 105 -0.741 -11.802 -23.295 765 HG LEU 105 HG LEU 105 -0.627 -14.427 -23.590 766 HD11 LEU 105 HD11 LEU 105 -2.831 -15.463 -23.373 767 HD12 LEU 105 HD12 LEU 105 -3.447 -13.997 -22.612 768 HD13 LEU 105 HD13 LEU 105 -2.202 -14.952 -21.807 769 HD21 LEU 105 HD21 LEU 105 -1.163 -12.844 -25.351 770 HD22 LEU 105 HD22 LEU 105 -2.811 -12.698 -24.742 771 HD23 LEU 105 HD23 LEU 105 -2.253 -14.230 -25.415 772 H ILE 106 HN ILE 106 1.439 -10.817 -22.188 773 HA ILE 106 HA ILE 106 3.471 -12.414 -23.564 774 HB ILE 106 HB ILE 106 4.354 -10.116 -24.300 775 HG12 ILE 106 HG12 ILE 106 2.217 -8.525 -24.495 776 HG13 ILE 106 HG11 ILE 106 1.789 -9.317 -22.984 777 HG21 ILE 106 HG21 ILE 106 1.674 -11.096 -25.259 778 HG22 ILE 106 HG22 ILE 106 3.258 -11.662 -25.791 779 HG23 ILE 106 HG23 ILE 106 2.745 -10.013 -26.149 780 HD11 ILE 106 HD11 ILE 106 4.272 -7.718 -23.550 781 HD12 ILE 106 HD12 ILE 106 3.979 -8.614 -22.060 782 HD13 ILE 106 HD13 ILE 106 2.925 -7.270 -22.503 783 H THR 107 HN THR 107 5.710 -12.081 -23.220 784 HA THR 107 HA THR 107 6.369 -11.117 -20.509 785 HB THR 107 HB THR 107 8.337 -12.725 -20.665 786 HG1 THR 107 HG1 THR 107 8.496 -13.922 -22.396 787 HG21 THR 107 HG21 THR 107 5.550 -13.892 -20.617 788 HG22 THR 107 HG22 THR 107 6.399 -13.176 -19.247 789 HG23 THR 107 HG23 THR 107 6.999 -14.666 -19.976 790 H ARG 108 HN ARG 108 7.196 -11.042 -23.889 791 HA ARG 108 HA ARG 108 8.567 -9.766 -25.162 792 HB2 ARG 108 HB2 ARG 108 8.677 -8.087 -22.657 793 HB3 ARG 108 HB1 ARG 108 9.511 -7.635 -24.137 794 HG2 ARG 108 HG2 ARG 108 7.396 -7.553 -25.330 795 HG3 ARG 108 HG1 ARG 108 6.542 -8.071 -23.875 796 HD2 ARG 108 HD2 ARG 108 6.267 -5.731 -23.975 797 HD3 ARG 108 HD1 ARG 108 7.500 -6.014 -22.748 798 HE ARG 108 HE ARG 108 8.742 -5.594 -25.240 799 HH11 ARG 108 HH11 ARG 108 7.000 -3.782 -22.787 800 HH12 ARG 108 HH12 ARG 108 7.784 -2.287 -23.171 801 HH21 ARG 108 HH21 ARG 108 9.755 -3.625 -25.726 802 HH22 ARG 108 HH22 ARG 108 9.342 -2.199 -24.834 803 H LEU 109 HN LEU 109 10.530 -10.150 -25.890 804 HA LEU 109 HA LEU 109 12.702 -10.686 -23.976 805 HB2 LEU 109 HB2 LEU 109 11.991 -12.269 -26.446 806 HB3 LEU 109 HB1 LEU 109 13.524 -12.423 -25.613 807 HG LEU 109 HG LEU 109 11.954 -12.923 -23.534 808 HD11 LEU 109 HD11 LEU 109 10.270 -13.784 -25.884 809 HD12 LEU 109 HD12 LEU 109 9.859 -12.530 -24.713 810 HD13 LEU 109 HD13 LEU 109 9.984 -14.212 -24.196 811 HD21 LEU 109 HD21 LEU 109 12.580 -14.911 -25.713 812 HD22 LEU 109 HD22 LEU 109 12.171 -15.312 -24.045 813 HD23 LEU 109 HD23 LEU 109 13.653 -14.424 -24.400 814 H GLU 110 HN GLU 110 14.834 -10.270 -24.751 815 HA GLU 110 HA GLU 110 14.914 -8.136 -26.749 816 HB2 GLU 110 HB2 GLU 110 16.853 -9.028 -24.621 817 HB3 GLU 110 HB1 GLU 110 17.291 -7.860 -25.858 818 HG2 GLU 110 HG2 GLU 110 15.497 -6.383 -25.098 819 HG3 GLU 110 HG1 GLU 110 15.066 -7.554 -23.853 820 H ASN 111 HN ASN 111 16.380 -8.104 -28.466 821 HA ASN 111 HA ASN 111 17.162 -10.762 -29.426 822 HB2 ASN 111 HB2 ASN 111 15.714 -9.010 -30.743 823 HB3 ASN 111 HB1 ASN 111 17.275 -8.290 -31.120 824 HD21 ASN 111 HD21 ASN 111 18.732 -9.424 -32.408 825 HD22 ASN 111 HD22 ASN 111 18.244 -10.763 -33.382 826 H THR 112 HN THR 112 18.458 -7.589 -28.673 827 HA THR 112 HA THR 112 20.538 -6.646 -28.718 828 HB THR 112 HB THR 112 22.280 -8.049 -27.506 829 HG1 THR 112 HG1 THR 112 21.076 -9.886 -26.393 830 HG21 THR 112 HG21 THR 112 20.847 -6.442 -26.351 831 HG22 THR 112 HG22 THR 112 21.114 -7.872 -25.355 832 HG23 THR 112 HG23 THR 112 19.583 -7.663 -26.203 833 H GLN 113 HN GLN 113 21.544 -6.173 -30.525 834 HA GLN 113 HA GLN 113 22.910 -6.220 -32.330 835 HB2 GLN 113 HB2 GLN 113 23.990 -8.681 -30.958 836 HB3 GLN 113 HB1 GLN 113 24.664 -8.057 -32.457 837 HG2 GLN 113 HG2 GLN 113 25.173 -5.940 -31.347 838 HG3 GLN 113 HG1 GLN 113 24.498 -6.569 -29.844 839 HE21 GLN 113 HE21 GLN 113 27.141 -6.726 -32.092 840 HE22 GLN 113 HE22 GLN 113 28.223 -7.610 -31.074 841 H PHE 114 HN PHE 114 22.602 -6.688 -34.396 842 HA PHE 114 HA PHE 114 20.907 -8.989 -35.056 843 HB2 PHE 114 HB2 PHE 114 21.514 -6.425 -36.537 844 HB3 PHE 114 HB1 PHE 114 20.615 -7.756 -37.255 845 HD1 PHE 114 HD1 PHE 114 20.545 -5.057 -34.793 846 HD2 PHE 114 HD2 PHE 114 18.364 -8.271 -36.533 847 HE1 PHE 114 HE1 PHE 114 18.468 -4.173 -33.815 848 HE2 PHE 114 HE2 PHE 114 16.284 -7.392 -35.559 849 HZ PHE 114 HZ PHE 114 16.333 -5.341 -34.198 850 H ASP 115 HN ASP 115 21.354 -10.256 -36.953 851 HA ASP 115 HA ASP 115 24.211 -10.713 -37.313 852 HB2 ASP 115 HB2 ASP 115 23.453 -12.813 -38.492 853 HB3 ASP 115 HB1 ASP 115 22.994 -12.703 -36.799 854 H ALA 116 HN ALA 116 25.177 -11.010 -39.385 855 HA ALA 116 HA ALA 116 25.747 -10.419 -41.498 856 HB1 ALA 116 HB1 ALA 116 22.781 -10.274 -42.037 857 HB2 ALA 116 HB2 ALA 116 23.771 -11.730 -42.142 858 HB3 ALA 116 HB3 ALA 116 24.064 -10.383 -43.243 859 H ALA 117 HN ALA 117 26.634 -8.592 -42.114 860 HA ALA 117 HA ALA 117 25.319 -6.055 -41.438 861 HB1 ALA 117 HB1 ALA 117 27.527 -5.044 -41.589 862 HB2 ALA 117 HB2 ALA 117 28.212 -6.584 -42.107 863 HB3 ALA 117 HB3 ALA 117 27.545 -6.418 -40.483 864 H ASN 118 HN ASN 118 26.924 -7.748 -44.109 865 HA ASN 118 HA ASN 118 26.168 -5.619 -45.972 866 HB2 ASN 118 HB2 ASN 118 27.986 -8.015 -46.241 867 HB3 ASN 118 HB1 ASN 118 27.533 -7.005 -47.611 868 HD21 ASN 118 HD21 ASN 118 28.304 -4.897 -47.735 869 HD22 ASN 118 HD22 ASN 118 29.638 -4.351 -46.782 870 H GLY 119 HN GLY 119 24.855 -5.944 -47.744 871 HA2 GLY 119 HA2 GLY 119 23.752 -7.675 -49.193 872 HA3 GLY 119 HA1 GLY 119 23.236 -8.417 -47.686 873 H ILE 120 HN ILE 120 22.548 -6.096 -50.079 874 HA ILE 120 HA ILE 120 20.223 -5.155 -48.540 875 HB ILE 120 HB ILE 120 20.228 -3.103 -49.990 876 HG12 ILE 120 HG12 ILE 120 21.839 -3.989 -51.737 877 HG13 ILE 120 HG11 ILE 120 22.161 -2.360 -51.175 878 HG21 ILE 120 HG21 ILE 120 21.886 -1.920 -48.616 879 HG22 ILE 120 HG22 ILE 120 22.503 -3.476 -48.061 880 HG23 ILE 120 HG23 ILE 120 20.847 -2.998 -47.684 881 HD11 ILE 120 HD11 ILE 120 23.984 -3.245 -49.760 882 HD12 ILE 120 HD12 ILE 120 24.227 -3.562 -51.478 883 HD13 ILE 120 HD13 ILE 120 23.676 -4.855 -50.414 884 H ASP 121 HN ASP 121 18.312 -5.669 -49.315 885 HA ASP 121 HA ASP 121 18.102 -6.558 -52.116 886 HB2 ASP 121 HB2 ASP 121 16.540 -7.366 -49.660 887 HB3 ASP 121 HB1 ASP 121 16.034 -7.780 -51.294 888 H ASP 122 HN ASP 122 16.687 -5.611 -53.459 889 HA ASP 122 HA ASP 122 14.788 -3.650 -52.354 890 HB2 ASP 122 HB2 ASP 122 16.640 -3.311 -54.717 891 HB3 ASP 122 HB1 ASP 122 15.245 -2.273 -54.439 892 H GLU 123 HN GLU 123 12.799 -3.556 -53.289 893 HA GLU 123 HA GLU 123 12.271 -5.336 -55.573 894 HB2 GLU 123 HB2 GLU 123 10.727 -5.125 -52.991 895 HB3 GLU 123 HB1 GLU 123 10.019 -5.797 -54.452 896 HG2 GLU 123 HG2 GLU 123 11.746 -7.520 -54.503 897 HG3 GLU 123 HG1 GLU 123 12.471 -6.840 -53.048 Start of MODEL 3 1 H TYR 1 HT1 TYR 1 -22.669 10.458 1.617 2 HA TYR 1 HA TYR 1 -22.185 8.420 0.458 3 HB2 TYR 1 HB2 TYR 1 -19.816 8.345 2.335 4 HB3 TYR 1 HB1 TYR 1 -20.375 6.946 1.424 5 HD1 TYR 1 HD2 TYR 1 -20.057 6.823 -0.986 6 HD2 TYR 1 HD1 TYR 1 -18.702 10.196 1.226 7 HE1 TYR 1 HE2 TYR 1 -18.688 7.524 -2.904 8 HE2 TYR 1 HE1 TYR 1 -17.331 10.907 -0.688 9 HH TYR 1 HH TYR 1 -16.286 9.907 -2.677 10 H LEU 2 HN LEU 2 -23.446 6.767 1.083 11 HA LEU 2 HA LEU 2 -24.129 6.570 3.944 12 HB2 LEU 2 HB2 LEU 2 -25.872 6.290 1.500 13 HB3 LEU 2 HB1 LEU 2 -26.355 5.639 3.047 14 HG LEU 2 HG LEU 2 -27.486 7.722 2.693 15 HD11 LEU 2 HD11 LEU 2 -27.016 8.883 4.679 16 HD12 LEU 2 HD12 LEU 2 -25.327 8.380 4.672 17 HD13 LEU 2 HD13 LEU 2 -26.597 7.199 4.992 18 HD21 LEU 2 HD21 LEU 2 -24.782 8.997 2.306 19 HD22 LEU 2 HD22 LEU 2 -26.321 9.854 2.398 20 HD23 LEU 2 HD23 LEU 2 -26.010 8.743 1.064 21 H ARG 3 HN ARG 3 -23.782 4.759 0.913 22 HA ARG 3 HA ARG 3 -24.159 2.170 1.984 23 HB2 ARG 3 HB2 ARG 3 -22.814 3.167 -0.519 24 HB3 ARG 3 HB1 ARG 3 -22.903 1.456 -0.127 25 HG2 ARG 3 HG2 ARG 3 -25.346 1.587 -0.108 26 HG3 ARG 3 HG1 ARG 3 -25.251 3.304 -0.510 27 HD2 ARG 3 HD2 ARG 3 -24.119 2.750 -2.605 28 HD3 ARG 3 HD1 ARG 3 -24.203 1.036 -2.202 29 HE ARG 3 HE ARG 3 -26.794 2.112 -2.136 30 HH11 ARG 3 HH11 ARG 3 -24.312 1.334 -4.496 31 HH12 ARG 3 HH12 ARG 3 -25.449 1.067 -5.774 32 HH21 ARG 3 HH21 ARG 3 -28.264 1.757 -3.825 33 HH22 ARG 3 HH22 ARG 3 -27.684 1.307 -5.393 34 H LEU 4 HN LEU 4 -22.684 0.531 2.476 35 HA LEU 4 HA LEU 4 -19.927 1.395 3.052 36 HB2 LEU 4 HB2 LEU 4 -21.751 -0.263 4.795 37 HB3 LEU 4 HB1 LEU 4 -20.026 -0.116 5.062 38 HG LEU 4 HG LEU 4 -21.663 2.379 4.946 39 HD11 LEU 4 HD11 LEU 4 -22.953 0.933 6.412 40 HD12 LEU 4 HD12 LEU 4 -22.140 2.191 7.341 41 HD13 LEU 4 HD13 LEU 4 -21.500 0.547 7.334 42 HD21 LEU 4 HD21 LEU 4 -20.005 3.131 6.581 43 HD22 LEU 4 HD22 LEU 4 -19.230 2.527 5.115 44 HD23 LEU 4 HD23 LEU 4 -19.264 1.529 6.570 45 H PHE 5 HN PHE 5 -18.312 -0.091 2.713 46 HA PHE 5 HA PHE 5 -19.097 -2.694 1.581 47 HB2 PHE 5 HB2 PHE 5 -17.041 -0.755 0.512 48 HB3 PHE 5 HB1 PHE 5 -17.123 -2.441 0.016 49 HD1 PHE 5 HD2 PHE 5 -18.722 0.838 -0.181 50 HD2 PHE 5 HD1 PHE 5 -18.928 -3.240 -1.386 51 HE1 PHE 5 HE2 PHE 5 -20.381 1.433 -1.897 52 HE2 PHE 5 HE1 PHE 5 -20.586 -2.651 -3.105 53 HZ PHE 5 HZ PHE 5 -21.316 -0.314 -3.362 54 H GLY 6 HN GLY 6 -17.830 -4.432 2.085 55 HA2 GLY 6 HA2 GLY 6 -15.864 -3.999 4.229 56 HA3 GLY 6 HA1 GLY 6 -16.713 -5.503 3.903 57 H GLN 7 HN GLN 7 -13.828 -4.913 4.207 58 HA GLN 7 HA GLN 7 -12.851 -5.708 1.547 59 HB2 GLN 7 HB2 GLN 7 -11.547 -4.282 3.844 60 HB3 GLN 7 HB1 GLN 7 -10.570 -5.110 2.638 61 HG2 GLN 7 HG2 GLN 7 -11.555 -3.737 0.883 62 HG3 GLN 7 HG1 GLN 7 -12.565 -2.923 2.078 63 HE21 GLN 7 HE21 GLN 7 -11.643 -1.444 3.480 64 HE22 GLN 7 HE22 GLN 7 -10.067 -0.781 3.223 65 H ASP 8 HN ASP 8 -11.399 -7.417 1.327 66 HA ASP 8 HA ASP 8 -11.665 -9.492 3.375 67 HB2 ASP 8 HB2 ASP 8 -12.159 -9.744 0.810 68 HB3 ASP 8 HB1 ASP 8 -10.414 -9.938 0.689 69 H GLY 9 HN GLY 9 -9.395 -7.223 2.278 70 HA2 GLY 9 HA2 GLY 9 -7.085 -8.807 3.150 71 HA3 GLY 9 HA1 GLY 9 -7.017 -7.308 2.233 72 H LEU 10 HN LEU 10 -7.443 -8.741 5.370 73 HA LEU 10 HA LEU 10 -7.560 -6.191 6.735 74 HB2 LEU 10 HB2 LEU 10 -7.704 -7.519 8.804 75 HB3 LEU 10 HB1 LEU 10 -8.929 -7.943 7.628 76 HG LEU 10 HG LEU 10 -6.479 -9.619 7.661 77 HD11 LEU 10 HD11 LEU 10 -6.807 -9.413 10.012 78 HD12 LEU 10 HD12 LEU 10 -7.486 -10.968 9.523 79 HD13 LEU 10 HD13 LEU 10 -8.553 -9.598 9.845 80 HD21 LEU 10 HD21 LEU 10 -8.318 -10.041 6.096 81 HD22 LEU 10 HD22 LEU 10 -9.430 -10.219 7.452 82 HD23 LEU 10 HD23 LEU 10 -8.118 -11.377 7.229 83 H CYS 11 HN CYS 11 -6.096 -5.650 8.509 84 HA CYS 11 HA CYS 11 -3.447 -5.407 7.709 85 HB2 CYS 11 HB2 CYS 11 -4.585 -3.958 9.342 86 HB3 CYS 11 HB1 CYS 11 -4.523 -5.261 10.520 87 H ALA 12 HN ALA 12 -1.865 -6.726 7.614 88 HA ALA 12 HA ALA 12 -1.850 -9.380 8.574 89 HB1 ALA 12 HB1 ALA 12 0.545 -7.823 7.657 90 HB2 ALA 12 HB2 ALA 12 -0.655 -8.510 6.563 91 HB3 ALA 12 HB3 ALA 12 0.301 -9.568 7.601 92 H SER 13 HN SER 13 -0.733 -6.439 10.115 93 HA SER 13 HA SER 13 1.024 -7.883 11.929 94 HB2 SER 13 HB2 SER 13 1.726 -5.696 11.057 95 HB3 SER 13 HB1 SER 13 0.349 -4.935 11.849 96 HG SER 13 HG SER 13 1.640 -4.766 13.494 97 H CYS 14 HN CYS 14 -1.874 -5.786 12.340 98 HA CYS 14 HA CYS 14 -2.135 -6.848 15.055 99 HB2 CYS 14 HB2 CYS 14 -3.494 -4.979 15.578 100 HB3 CYS 14 HB1 CYS 14 -2.158 -4.361 14.618 101 H ASP 15 HN ASP 15 -3.101 -7.908 12.201 102 HA ASP 15 HA ASP 15 -4.866 -8.996 11.263 103 HB2 ASP 15 HB2 ASP 15 -5.691 -10.901 12.612 104 HB3 ASP 15 HB1 ASP 15 -3.943 -10.733 12.676 105 H LYS 16 HN LYS 16 -5.805 -6.606 11.574 106 HA LYS 16 HA LYS 16 -8.519 -6.941 12.671 107 HB2 LYS 16 HB2 LYS 16 -6.699 -4.555 12.667 108 HB3 LYS 16 HB1 LYS 16 -8.438 -4.344 12.770 109 HG2 LYS 16 HG2 LYS 16 -6.997 -6.144 14.671 110 HG3 LYS 16 HG1 LYS 16 -7.023 -4.402 14.929 111 HD2 LYS 16 HD2 LYS 16 -9.480 -4.445 14.920 112 HD3 LYS 16 HD1 LYS 16 -9.444 -6.194 14.684 113 HE2 LYS 16 HE2 LYS 16 -8.271 -6.453 16.819 114 HE3 LYS 16 HE1 LYS 16 -8.314 -4.705 17.052 115 HZ1 LYS 16 HZ1 LYS 16 -10.687 -6.481 16.856 116 HZ2 LYS 16 HZ2 LYS 16 -10.729 -4.805 17.079 117 HZ3 LYS 16 HZ3 LYS 16 -10.077 -5.801 18.281 118 H ARG 17 HN ARG 17 -10.238 -6.237 11.456 119 HA ARG 17 HA ARG 17 -10.125 -6.475 8.693 120 HB2 ARG 17 HB2 ARG 17 -12.216 -5.175 10.434 121 HB3 ARG 17 HB1 ARG 17 -12.441 -5.532 8.728 122 HG2 ARG 17 HG2 ARG 17 -11.549 -7.816 10.334 123 HG3 ARG 17 HG1 ARG 17 -13.139 -7.188 10.766 124 HD2 ARG 17 HD2 ARG 17 -13.846 -7.388 8.429 125 HD3 ARG 17 HD1 ARG 17 -12.252 -8.011 8.001 126 HE ARG 17 HE ARG 17 -13.347 -9.602 10.042 127 HH11 ARG 17 HH11 ARG 17 -13.841 -8.952 6.627 128 HH12 ARG 17 HH12 ARG 17 -14.504 -10.519 6.307 129 HH21 ARG 17 HH21 ARG 17 -14.219 -11.647 9.601 130 HH22 ARG 17 HH22 ARG 17 -14.719 -12.042 7.990 131 H ILE 18 HN ILE 18 -9.498 -5.205 7.111 132 HA ILE 18 HA ILE 18 -8.890 -2.417 7.584 133 HB ILE 18 HB ILE 18 -8.291 -4.374 5.402 134 HG12 ILE 18 HG12 ILE 18 -6.577 -2.379 6.918 135 HG13 ILE 18 HG11 ILE 18 -6.812 -4.050 7.402 136 HG21 ILE 18 HG21 ILE 18 -7.549 -1.523 4.908 137 HG22 ILE 18 HG22 ILE 18 -9.169 -2.064 4.473 138 HG23 ILE 18 HG23 ILE 18 -7.760 -2.851 3.763 139 HD11 ILE 18 HD11 ILE 18 -4.676 -3.299 6.102 140 HD12 ILE 18 HD12 ILE 18 -5.719 -3.503 4.694 141 HD13 ILE 18 HD13 ILE 18 -5.433 -4.859 5.781 142 H ARG 19 HN ARG 19 -9.987 -0.664 6.812 143 HA ARG 19 HA ARG 19 -12.329 -1.044 5.090 144 HB2 ARG 19 HB2 ARG 19 -12.349 0.149 7.859 145 HB3 ARG 19 HB1 ARG 19 -13.600 0.521 6.682 146 HG2 ARG 19 HG2 ARG 19 -14.172 -1.852 6.536 147 HG3 ARG 19 HG1 ARG 19 -12.915 -2.225 7.717 148 HD2 ARG 19 HD2 ARG 19 -14.063 -0.838 9.375 149 HD3 ARG 19 HD1 ARG 19 -15.318 -0.464 8.194 150 HE ARG 19 HE ARG 19 -15.123 -3.249 8.439 151 HH11 ARG 19 HH11 ARG 19 -16.176 -0.504 10.362 152 HH12 ARG 19 HH12 ARG 19 -17.320 -1.434 11.270 153 HH21 ARG 19 HH21 ARG 19 -16.628 -4.445 9.639 154 HH22 ARG 19 HH22 ARG 19 -17.575 -3.663 10.861 155 H ALA 20 HN ALA 20 -13.422 1.405 5.016 156 HA ALA 20 HA ALA 20 -11.699 2.899 3.342 157 HB1 ALA 20 HB1 ALA 20 -14.121 2.747 3.038 158 HB2 ALA 20 HB2 ALA 20 -13.559 4.417 3.091 159 HB3 ALA 20 HB3 ALA 20 -14.356 3.711 4.497 160 H TYR 21 HN TYR 21 -11.492 2.835 6.601 161 HA TYR 21 HA TYR 21 -10.627 5.661 6.813 162 HB2 TYR 21 HB2 TYR 21 -12.449 5.306 8.362 163 HB3 TYR 21 HB1 TYR 21 -11.783 3.774 8.896 164 HD1 TYR 21 HD1 TYR 21 -9.380 3.978 10.098 165 HD2 TYR 21 HD2 TYR 21 -12.190 7.163 9.736 166 HE1 TYR 21 HE1 TYR 21 -8.317 5.106 12.001 167 HE2 TYR 21 HE2 TYR 21 -11.137 8.301 11.645 168 HH TYR 21 HH TYR 21 -8.125 7.379 12.912 169 H GLU 22 HN GLU 22 -9.972 2.338 7.342 170 HA GLU 22 HA GLU 22 -7.773 2.340 8.994 171 HB2 GLU 22 HB2 GLU 22 -8.535 0.372 6.848 172 HB3 GLU 22 HB1 GLU 22 -7.452 0.045 8.187 173 HG2 GLU 22 HG2 GLU 22 -10.270 0.964 8.587 174 HG3 GLU 22 HG1 GLU 22 -9.855 -0.736 8.436 175 H MET 23 HN MET 23 -7.789 3.201 5.599 176 HA MET 23 HA MET 23 -6.049 3.983 4.185 177 HB2 MET 23 HB2 MET 23 -4.706 3.999 6.873 178 HB3 MET 23 HB1 MET 23 -3.828 4.431 5.425 179 HG2 MET 23 HG2 MET 23 -5.754 6.115 5.042 180 HG3 MET 23 HG1 MET 23 -6.113 5.845 6.740 181 HE1 MET 23 HE1 MET 23 -5.840 8.515 6.952 182 HE2 MET 23 HE2 MET 23 -5.280 8.696 5.290 183 HE3 MET 23 HE3 MET 23 -4.337 9.374 6.618 184 H THR 24 HN THR 24 -4.691 2.889 2.757 185 HA THR 24 HA THR 24 -3.112 0.656 3.791 186 HB THR 24 HB THR 24 -4.028 -0.831 1.854 187 HG1 THR 24 HG1 THR 24 -5.612 0.096 0.815 188 HG21 THR 24 HG21 THR 24 -5.825 -1.708 3.338 189 HG22 THR 24 HG22 THR 24 -5.572 -0.319 4.393 190 HG23 THR 24 HG23 THR 24 -4.274 -1.488 4.145 191 H MET 25 HN MET 25 -1.203 0.559 2.793 192 HA MET 25 HA MET 25 -1.000 1.577 0.041 193 HB2 MET 25 HB2 MET 25 1.240 2.405 0.505 194 HB3 MET 25 HB1 MET 25 0.079 3.131 1.603 195 HG2 MET 25 HG2 MET 25 1.943 0.854 2.287 196 HG3 MET 25 HG1 MET 25 2.207 2.543 2.700 197 HE1 MET 25 HE1 MET 25 0.977 -0.757 3.767 198 HE2 MET 25 HE2 MET 25 0.585 -0.364 5.441 199 HE3 MET 25 HE3 MET 25 2.179 0.031 4.793 200 H ARG 26 HN ARG 26 0.386 0.498 -1.394 201 HA ARG 26 HA ARG 26 0.537 -2.327 -0.967 202 HB2 ARG 26 HB2 ARG 26 0.231 -0.831 -3.175 203 HB3 ARG 26 HB1 ARG 26 1.960 -1.120 -3.274 204 HG2 ARG 26 HG2 ARG 26 1.598 -3.509 -3.252 205 HG3 ARG 26 HG1 ARG 26 -0.137 -3.267 -3.047 206 HD2 ARG 26 HD2 ARG 26 -0.225 -2.118 -5.211 207 HD3 ARG 26 HD1 ARG 26 1.508 -2.376 -5.414 208 HE ARG 26 HE ARG 26 0.490 -4.874 -5.013 209 HH11 ARG 26 HH11 ARG 26 -0.177 -2.329 -7.339 210 HH12 ARG 26 HH12 ARG 26 -0.651 -3.435 -8.585 211 HH21 ARG 26 HH21 ARG 26 -0.134 -6.303 -6.658 212 HH22 ARG 26 HH22 ARG 26 -0.627 -5.683 -8.198 213 H VAL 27 HN VAL 27 2.004 -3.214 0.262 214 HA VAL 27 HA VAL 27 4.758 -2.174 0.282 215 HB VAL 27 HB VAL 27 3.780 -4.231 2.255 216 HG11 VAL 27 HG11 VAL 27 5.860 -2.060 2.303 217 HG12 VAL 27 HG12 VAL 27 6.086 -3.801 2.466 218 HG13 VAL 27 HG13 VAL 27 5.321 -2.886 3.763 219 HG21 VAL 27 HG21 VAL 27 2.862 -2.624 3.727 220 HG22 VAL 27 HG22 VAL 27 2.105 -2.349 2.160 221 HG23 VAL 27 HG23 VAL 27 3.396 -1.283 2.715 222 H LYS 28 HN LYS 28 6.321 -4.237 0.889 223 HA LYS 28 HA LYS 28 6.748 -5.641 -1.440 224 HB2 LYS 28 HB2 LYS 28 7.619 -6.171 1.386 225 HB3 LYS 28 HB1 LYS 28 8.109 -7.226 0.070 226 HG2 LYS 28 HG2 LYS 28 9.124 -5.289 -1.068 227 HG3 LYS 28 HG1 LYS 28 8.689 -4.281 0.315 228 HD2 LYS 28 HD2 LYS 28 10.064 -5.686 1.771 229 HD3 LYS 28 HD1 LYS 28 10.491 -6.702 0.394 230 HE2 LYS 28 HE2 LYS 28 11.532 -4.757 -0.692 231 HE3 LYS 28 HE1 LYS 28 11.136 -3.774 0.716 232 HZ1 LYS 28 HZ1 LYS 28 13.421 -4.541 0.793 233 HZ2 LYS 28 HZ2 LYS 28 12.914 -6.153 0.713 234 HZ3 LYS 28 HZ3 LYS 28 12.533 -5.213 2.067 235 H ASP 29 HN ASP 29 5.571 -7.272 1.555 236 HA ASP 29 HA ASP 29 4.107 -9.133 -0.197 237 HB2 ASP 29 HB2 ASP 29 5.621 -9.685 2.349 238 HB3 ASP 29 HB1 ASP 29 4.448 -10.815 1.683 239 H LYS 30 HN LYS 30 4.101 -7.546 2.985 240 HA LYS 30 HA LYS 30 1.212 -8.092 3.192 241 HB2 LYS 30 HB2 LYS 30 3.164 -7.531 5.427 242 HB3 LYS 30 HB1 LYS 30 1.471 -7.944 5.602 243 HG2 LYS 30 HG2 LYS 30 1.819 -10.165 4.944 244 HG3 LYS 30 HG1 LYS 30 3.402 -9.797 4.259 245 HD2 LYS 30 HD2 LYS 30 4.063 -9.166 6.671 246 HD3 LYS 30 HD1 LYS 30 2.606 -10.042 7.144 247 HE2 LYS 30 HE2 LYS 30 4.757 -11.236 5.407 248 HE3 LYS 30 HE1 LYS 30 4.763 -11.363 7.166 249 HZ1 LYS 30 HZ1 LYS 30 2.614 -12.361 5.370 250 HZ2 LYS 30 HZ2 LYS 30 2.625 -12.487 7.057 251 HZ3 LYS 30 HZ3 LYS 30 3.779 -13.316 6.141 252 H VAL 31 HN VAL 31 -0.175 -6.476 3.879 253 HA VAL 31 HA VAL 31 0.816 -3.724 3.554 254 HB VAL 31 HB VAL 31 -2.079 -4.634 3.574 255 HG11 VAL 31 HG11 VAL 31 -2.524 -2.499 2.450 256 HG12 VAL 31 HG12 VAL 31 -0.817 -2.076 2.590 257 HG13 VAL 31 HG13 VAL 31 -1.803 -2.262 4.041 258 HG21 VAL 31 HG21 VAL 31 -0.940 -5.722 1.720 259 HG22 VAL 31 HG22 VAL 31 -0.300 -4.169 1.184 260 HG23 VAL 31 HG23 VAL 31 -2.036 -4.474 1.128 261 H TYR 32 HN TYR 32 0.171 -2.080 5.101 262 HA TYR 32 HA TYR 32 -0.680 -3.146 7.710 263 HB2 TYR 32 HB2 TYR 32 1.594 -1.184 7.332 264 HB3 TYR 32 HB1 TYR 32 1.021 -1.838 8.861 265 HD1 TYR 32 HD1 TYR 32 1.421 -4.228 9.406 266 HD2 TYR 32 HD2 TYR 32 3.079 -2.429 5.929 267 HE1 TYR 32 HE1 TYR 32 3.007 -6.101 9.199 268 HE2 TYR 32 HE2 TYR 32 4.669 -4.293 5.713 269 HH TYR 32 HH TYR 32 5.696 -6.010 7.126 270 H HIS 33 HN HIS 33 -1.602 -1.696 9.168 271 HA HIS 33 HA HIS 33 -3.452 0.178 8.145 272 HB2 HIS 33 HB2 HIS 33 -2.560 -0.755 10.818 273 HB3 HIS 33 HB1 HIS 33 -3.390 0.790 10.763 274 HD2 HIS 33 HD2 HIS 33 -5.933 0.326 9.092 275 HE1 HIS 33 HE1 HIS 33 -6.464 -3.298 11.228 276 HE2 HIS 33 HE2 HIS 33 -7.602 -1.488 9.893 277 H LEU 34 HN LEU 34 -3.659 2.468 8.617 278 HA LEU 34 HA LEU 34 -1.421 4.096 8.310 279 HB2 LEU 34 HB2 LEU 34 -2.787 5.979 9.059 280 HB3 LEU 34 HB1 LEU 34 -3.687 4.962 7.969 281 HG LEU 34 HG LEU 34 -4.423 3.974 10.441 282 HD11 LEU 34 HD11 LEU 34 -4.142 6.968 10.631 283 HD12 LEU 34 HD12 LEU 34 -3.304 5.765 11.611 284 HD13 LEU 34 HD13 LEU 34 -5.051 5.959 11.753 285 HD21 LEU 34 HD21 LEU 34 -6.545 5.100 10.050 286 HD22 LEU 34 HD22 LEU 34 -5.918 4.401 8.559 287 HD23 LEU 34 HD23 LEU 34 -5.781 6.136 8.848 288 H GLU 35 HN GLU 35 -3.134 3.229 11.315 289 HA GLU 35 HA GLU 35 -1.381 4.479 13.145 290 HB2 GLU 35 HB2 GLU 35 -3.165 2.061 13.530 291 HB3 GLU 35 HB1 GLU 35 -2.404 2.963 14.828 292 HG2 GLU 35 HG2 GLU 35 -3.703 4.939 14.224 293 HG3 GLU 35 HG1 GLU 35 -4.454 4.044 12.904 294 H CYS 36 HN CYS 36 -1.289 1.420 11.484 295 HA CYS 36 HA CYS 36 0.959 0.439 13.056 296 HB2 CYS 36 HB2 CYS 36 -0.405 -0.946 10.731 297 HB3 CYS 36 HB1 CYS 36 0.627 -1.671 11.957 298 H PHE 37 HN PHE 37 0.702 2.596 10.651 299 HA PHE 37 HA PHE 37 3.345 1.927 9.529 300 HB2 PHE 37 HB2 PHE 37 1.350 1.440 7.956 301 HB3 PHE 37 HB1 PHE 37 1.142 3.182 7.873 302 HD1 PHE 37 HD1 PHE 37 3.350 0.376 7.014 303 HD2 PHE 37 HD2 PHE 37 2.585 4.541 6.513 304 HE1 PHE 37 HE1 PHE 37 4.980 0.453 5.176 305 HE2 PHE 37 HE2 PHE 37 4.216 4.611 4.677 306 HZ PHE 37 HZ PHE 37 5.412 2.573 4.005 307 H LYS 38 HN LYS 38 3.227 3.509 11.650 308 HA LYS 38 HA LYS 38 3.600 6.223 10.578 309 HB2 LYS 38 HB2 LYS 38 2.881 7.153 12.748 310 HB3 LYS 38 HB1 LYS 38 1.606 6.262 11.939 311 HG2 LYS 38 HG2 LYS 38 1.280 5.388 13.991 312 HG3 LYS 38 HG1 LYS 38 2.608 4.320 13.533 313 HD2 LYS 38 HD2 LYS 38 4.198 5.744 14.663 314 HD3 LYS 38 HD1 LYS 38 2.938 6.928 15.017 315 HE2 LYS 38 HE2 LYS 38 1.766 5.214 16.360 316 HE3 LYS 38 HE1 LYS 38 3.110 4.109 16.073 317 HZ1 LYS 38 HZ1 LYS 38 3.279 6.723 17.473 318 HZ2 LYS 38 HZ2 LYS 38 4.583 5.687 17.178 319 HZ3 LYS 38 HZ3 LYS 38 3.331 5.199 18.207 320 H CYS 39 HN CYS 39 5.221 7.554 11.674 321 HA CYS 39 HA CYS 39 7.622 6.134 12.195 322 HB2 CYS 39 HB2 CYS 39 7.319 8.572 11.341 323 HB3 CYS 39 HB1 CYS 39 7.221 8.987 13.049 324 H ALA 40 HN ALA 40 8.672 5.643 14.081 325 HA ALA 40 HA ALA 40 7.019 5.670 16.490 326 HB1 ALA 40 HB1 ALA 40 7.933 3.539 15.776 327 HB2 ALA 40 HB2 ALA 40 8.593 4.003 17.344 328 HB3 ALA 40 HB3 ALA 40 9.570 4.184 15.887 329 H ALA 41 HN ALA 41 9.194 7.776 15.252 330 HA ALA 41 HA ALA 41 10.328 8.416 17.896 331 HB1 ALA 41 HB1 ALA 41 12.241 9.375 16.813 332 HB2 ALA 41 HB2 ALA 41 11.516 9.126 15.223 333 HB3 ALA 41 HB3 ALA 41 11.993 7.739 16.200 334 H CYS 42 HN CYS 42 9.245 9.980 14.846 335 HA CYS 42 HA CYS 42 8.750 12.432 16.376 336 HB2 CYS 42 HB2 CYS 42 8.707 13.631 14.301 337 HB3 CYS 42 HB1 CYS 42 10.117 12.583 14.290 338 H GLN 43 HN GLN 43 7.099 9.736 15.464 339 HA GLN 43 HA GLN 43 4.940 9.079 15.465 340 HB2 GLN 43 HB2 GLN 43 4.651 11.750 16.801 341 HB3 GLN 43 HB1 GLN 43 3.232 10.782 16.433 342 HG2 GLN 43 HG2 GLN 43 3.751 10.259 18.645 343 HG3 GLN 43 HG1 GLN 43 4.382 8.904 17.713 344 HE21 GLN 43 HE21 GLN 43 6.604 8.639 17.517 345 HE22 GLN 43 HE22 GLN 43 7.724 9.453 18.550 346 H LYS 44 HN LYS 44 6.090 11.023 13.253 347 HA LYS 44 HA LYS 44 3.839 12.236 12.022 348 HB2 LYS 44 HB2 LYS 44 6.392 12.615 11.635 349 HB3 LYS 44 HB1 LYS 44 6.232 11.325 10.457 350 HG2 LYS 44 HG2 LYS 44 5.937 13.167 9.125 351 HG3 LYS 44 HG1 LYS 44 4.264 12.812 9.557 352 HD2 LYS 44 HD2 LYS 44 4.361 14.497 11.330 353 HD3 LYS 44 HD1 LYS 44 6.041 14.841 10.918 354 HE2 LYS 44 HE2 LYS 44 3.781 15.122 8.950 355 HE3 LYS 44 HE1 LYS 44 4.305 16.439 9.996 356 HZ1 LYS 44 HZ1 LYS 44 6.006 15.028 8.011 357 HZ2 LYS 44 HZ2 LYS 44 6.509 16.295 9.012 358 HZ3 LYS 44 HZ3 LYS 44 5.341 16.571 7.820 359 H HIS 45 HN HIS 45 2.860 11.645 9.992 360 HA HIS 45 HA HIS 45 2.501 8.737 9.758 361 HB2 HIS 45 HB2 HIS 45 0.335 9.326 8.599 362 HB3 HIS 45 HB1 HIS 45 0.413 9.769 10.297 363 HD1 HIS 45 HD1 HIS 45 -0.143 11.157 6.940 364 HD2 HIS 45 HD2 HIS 45 0.704 12.613 10.739 365 HE1 HIS 45 HE1 HIS 45 -0.664 13.615 6.849 366 HE2 HIS 45 HE2 HIS 45 -0.213 14.461 9.179 367 H PHE 46 HN PHE 46 2.542 7.721 7.771 368 HA PHE 46 HA PHE 46 4.026 9.174 5.707 369 HB2 PHE 46 HB2 PHE 46 3.648 6.219 6.179 370 HB3 PHE 46 HB1 PHE 46 4.517 6.887 4.807 371 HD1 PHE 46 HD2 PHE 46 4.497 6.860 8.532 372 HD2 PHE 46 HD1 PHE 46 6.798 7.295 4.975 373 HE1 PHE 46 HE2 PHE 46 6.542 6.897 9.877 374 HE2 PHE 46 HE1 PHE 46 8.861 7.327 6.322 375 HZ PHE 46 HZ PHE 46 8.733 7.123 8.777 376 H SER 47 HN SER 47 3.312 9.461 3.726 377 HA SER 47 HA SER 47 0.623 8.501 3.009 378 HB2 SER 47 HB2 SER 47 1.855 11.200 2.391 379 HB3 SER 47 HB1 SER 47 0.283 10.646 1.815 380 HG SER 47 HG SER 47 0.491 10.349 4.491 381 H VAL 48 HN VAL 48 0.239 8.744 0.549 382 HA VAL 48 HA VAL 48 2.088 7.104 -0.815 383 HB VAL 48 HB VAL 48 -0.338 7.099 -1.270 384 HG11 VAL 48 HG11 VAL 48 -0.847 9.461 -1.226 385 HG12 VAL 48 HG12 VAL 48 -1.349 8.761 -2.765 386 HG13 VAL 48 HG13 VAL 48 0.125 9.726 -2.674 387 HG21 VAL 48 HG21 VAL 48 1.378 7.619 -3.691 388 HG22 VAL 48 HG22 VAL 48 -0.209 6.851 -3.714 389 HG23 VAL 48 HG23 VAL 48 1.136 6.074 -2.879 390 H GLY 49 HN GLY 49 3.877 7.548 -1.905 391 HA2 GLY 49 HA2 GLY 49 5.052 8.788 -3.607 392 HA3 GLY 49 HA1 GLY 49 4.251 10.242 -3.042 393 H ASP 50 HN ASP 50 5.274 8.442 -0.391 394 HA ASP 50 HA ASP 50 7.777 9.996 -0.209 395 HB2 ASP 50 HB2 ASP 50 5.761 9.317 1.931 396 HB3 ASP 50 HB1 ASP 50 7.388 9.876 2.305 397 H ARG 51 HN ARG 51 9.581 9.045 0.729 398 HA ARG 51 HA ARG 51 9.696 6.152 0.543 399 HB2 ARG 51 HB2 ARG 51 11.833 8.229 1.046 400 HB3 ARG 51 HB1 ARG 51 12.147 6.502 0.951 401 HG2 ARG 51 HG2 ARG 51 11.110 6.599 -1.367 402 HG3 ARG 51 HG1 ARG 51 11.232 8.353 -1.227 403 HD2 ARG 51 HD2 ARG 51 13.638 8.172 -0.883 404 HD3 ARG 51 HD1 ARG 51 13.531 6.415 -0.976 405 HE ARG 51 HE ARG 51 12.481 7.712 -3.302 406 HH11 ARG 51 HH11 ARG 51 15.466 6.607 -1.816 407 HH12 ARG 51 HH12 ARG 51 16.297 6.458 -3.327 408 HH21 ARG 51 HH21 ARG 51 13.590 7.509 -5.268 409 HH22 ARG 51 HH22 ARG 51 15.236 6.969 -5.279 410 H TYR 52 HN TYR 52 10.054 4.728 2.196 411 HA TYR 52 HA TYR 52 10.378 5.788 4.914 412 HB2 TYR 52 HB2 TYR 52 8.581 4.456 5.795 413 HB3 TYR 52 HB1 TYR 52 7.946 5.424 4.478 414 HD1 TYR 52 HD2 TYR 52 7.417 4.332 2.288 415 HD2 TYR 52 HD1 TYR 52 8.517 2.069 5.727 416 HE1 TYR 52 HE2 TYR 52 6.510 2.301 1.239 417 HE2 TYR 52 HE1 TYR 52 7.615 0.036 4.684 418 HH TYR 52 HH TYR 52 6.788 -0.129 1.393 419 H LEU 53 HN LEU 53 11.055 4.236 6.485 420 HA LEU 53 HA LEU 53 12.423 1.887 5.354 421 HB2 LEU 53 HB2 LEU 53 13.928 3.774 6.108 422 HB3 LEU 53 HB1 LEU 53 13.340 3.502 7.736 423 HG LEU 53 HG LEU 53 14.404 1.097 6.416 424 HD11 LEU 53 HD11 LEU 53 16.106 3.515 6.889 425 HD12 LEU 53 HD12 LEU 53 16.043 2.463 5.477 426 HD13 LEU 53 HD13 LEU 53 16.771 1.885 6.976 427 HD21 LEU 53 HD21 LEU 53 13.744 1.094 8.744 428 HD22 LEU 53 HD22 LEU 53 14.855 2.418 9.092 429 HD23 LEU 53 HD23 LEU 53 15.484 0.841 8.615 430 H LEU 54 HN LEU 54 11.897 -0.015 6.239 431 HA LEU 54 HA LEU 54 9.927 -0.032 8.373 432 HB2 LEU 54 HB2 LEU 54 9.825 -1.361 6.160 433 HB3 LEU 54 HB1 LEU 54 10.955 -2.456 6.925 434 HG LEU 54 HG LEU 54 8.465 -1.836 8.428 435 HD11 LEU 54 HD11 LEU 54 7.612 -2.121 6.170 436 HD12 LEU 54 HD12 LEU 54 7.201 -3.516 7.169 437 HD13 LEU 54 HD13 LEU 54 8.518 -3.624 6.000 438 HD21 LEU 54 HD21 LEU 54 10.017 -4.375 7.919 439 HD22 LEU 54 HD22 LEU 54 8.663 -4.192 9.034 440 HD23 LEU 54 HD23 LEU 54 10.175 -3.337 9.335 441 H ILE 55 HN ILE 55 10.513 -0.152 10.392 442 HA ILE 55 HA ILE 55 13.078 -1.249 11.191 443 HB ILE 55 HB ILE 55 11.849 0.906 12.123 444 HG12 ILE 55 HG12 ILE 55 13.100 0.338 14.388 445 HG13 ILE 55 HG11 ILE 55 13.688 -1.027 13.449 446 HG21 ILE 55 HG21 ILE 55 10.948 -1.141 14.140 447 HG22 ILE 55 HG22 ILE 55 9.882 -0.324 12.995 448 HG23 ILE 55 HG23 ILE 55 10.733 0.608 14.226 449 HD11 ILE 55 HD11 ILE 55 14.662 0.448 11.822 450 HD12 ILE 55 HD12 ILE 55 15.213 0.909 13.434 451 HD13 ILE 55 HD13 ILE 55 13.962 1.853 12.625 452 H ASN 56 HN ASN 56 12.879 -2.575 13.422 453 HA ASN 56 HA ASN 56 12.115 -5.143 12.859 454 HB2 ASN 56 HB2 ASN 56 12.123 -3.938 15.629 455 HB3 ASN 56 HB1 ASN 56 12.326 -5.637 15.223 456 HD21 ASN 56 HD21 ASN 56 13.775 -2.480 15.157 457 HD22 ASN 56 HD22 ASN 56 15.400 -3.005 14.911 458 H SER 57 HN SER 57 10.069 -2.670 14.394 459 HA SER 57 HA SER 57 7.823 -4.572 14.245 460 HB2 SER 57 HB2 SER 57 8.527 -4.000 16.575 461 HB3 SER 57 HB1 SER 57 8.091 -2.324 16.247 462 HG SER 57 HG SER 57 6.356 -4.570 16.164 463 H ASP 58 HN ASP 58 8.584 -1.072 14.158 464 HA ASP 58 HA ASP 58 6.181 -0.698 12.492 465 HB2 ASP 58 HB2 ASP 58 7.411 1.052 14.606 466 HB3 ASP 58 HB1 ASP 58 6.342 1.729 13.382 467 H ILE 59 HN ILE 59 6.788 2.019 11.794 468 HA ILE 59 HA ILE 59 9.070 1.664 9.955 469 HB ILE 59 HB ILE 59 6.413 3.037 9.437 470 HG12 ILE 59 HG12 ILE 59 6.565 1.358 7.419 471 HG13 ILE 59 HG11 ILE 59 7.684 0.500 8.467 472 HG21 ILE 59 HG21 ILE 59 7.283 3.416 7.131 473 HG22 ILE 59 HG22 ILE 59 8.891 3.001 7.732 474 HG23 ILE 59 HG23 ILE 59 8.042 4.405 8.378 475 HD11 ILE 59 HD11 ILE 59 4.824 0.530 8.494 476 HD12 ILE 59 HD12 ILE 59 5.449 1.050 10.055 477 HD13 ILE 59 HD13 ILE 59 5.938 -0.505 9.379 478 H VAL 60 HN VAL 60 10.550 3.278 9.868 479 HA VAL 60 HA VAL 60 10.046 5.706 11.474 480 HB VAL 60 HB VAL 60 12.733 4.317 11.187 481 HG11 VAL 60 HG11 VAL 60 13.431 5.809 13.028 482 HG12 VAL 60 HG12 VAL 60 11.862 6.609 12.954 483 HG13 VAL 60 HG13 VAL 60 12.964 6.705 11.582 484 HG21 VAL 60 HG21 VAL 60 12.501 3.503 13.420 485 HG22 VAL 60 HG22 VAL 60 11.058 3.018 12.529 486 HG23 VAL 60 HG23 VAL 60 10.988 4.379 13.646 487 H CYS 61 HN CYS 61 10.262 7.589 10.409 488 HA CYS 61 HA CYS 61 10.907 7.697 7.656 489 HB2 CYS 61 HB2 CYS 61 10.429 9.993 7.745 490 HB3 CYS 61 HB1 CYS 61 9.402 9.292 8.985 491 H GLU 62 HN GLU 62 12.651 8.666 6.567 492 HA GLU 62 HA GLU 62 15.215 8.019 7.435 493 HB2 GLU 62 HB2 GLU 62 14.237 9.848 5.259 494 HB3 GLU 62 HB1 GLU 62 15.949 9.559 5.528 495 HG2 GLU 62 HG2 GLU 62 15.606 7.169 5.155 496 HG3 GLU 62 HG1 GLU 62 13.887 7.460 4.887 497 H GLN 63 HN GLN 63 13.371 10.814 8.212 498 HA GLN 63 HA GLN 63 15.443 12.698 8.628 499 HB2 GLN 63 HB2 GLN 63 12.806 12.932 8.537 500 HB3 GLN 63 HB1 GLN 63 12.958 12.783 10.281 501 HG2 GLN 63 HG2 GLN 63 14.465 14.705 10.318 502 HG3 GLN 63 HG1 GLN 63 14.321 14.851 8.566 503 HE21 GLN 63 HE21 GLN 63 12.399 15.603 7.675 504 HE22 GLN 63 HE22 GLN 63 11.208 16.425 8.618 505 H ASP 64 HN ASP 64 13.741 10.575 10.953 506 HA ASP 64 HA ASP 64 15.899 11.068 12.889 507 HB2 ASP 64 HB2 ASP 64 14.276 10.444 14.655 508 HB3 ASP 64 HB1 ASP 64 13.762 11.844 13.722 509 H ILE 65 HN ILE 65 15.548 8.952 10.664 510 HA ILE 65 HA ILE 65 15.233 6.405 11.749 511 HB ILE 65 HB ILE 65 15.190 6.812 9.367 512 HG12 ILE 65 HG12 ILE 65 16.661 4.664 10.625 513 HG13 ILE 65 HG11 ILE 65 15.538 4.597 9.278 514 HG21 ILE 65 HG21 ILE 65 16.844 8.503 9.069 515 HG22 ILE 65 HG22 ILE 65 17.282 7.129 8.053 516 HG23 ILE 65 HG23 ILE 65 18.135 7.411 9.570 517 HD11 ILE 65 HD11 ILE 65 18.504 5.071 9.147 518 HD12 ILE 65 HD12 ILE 65 17.414 5.171 7.763 519 HD13 ILE 65 HD13 ILE 65 17.622 3.638 8.615 520 H TYR 66 HN TYR 66 18.251 8.260 11.380 521 HA TYR 66 HA TYR 66 19.999 6.281 12.380 522 HB2 TYR 66 HB2 TYR 66 20.782 8.155 11.019 523 HB3 TYR 66 HB1 TYR 66 20.299 9.295 12.267 524 HD1 TYR 66 HD1 TYR 66 22.783 6.755 11.309 525 HD2 TYR 66 HD2 TYR 66 21.654 9.641 14.223 526 HE1 TYR 66 HE1 TYR 66 25.025 6.613 12.314 527 HE2 TYR 66 HE2 TYR 66 23.883 9.508 15.235 528 HH TYR 66 HH TYR 66 26.510 7.991 13.708 529 H GLU 67 HN GLU 67 18.517 9.091 13.978 530 HA GLU 67 HA GLU 67 19.649 8.693 16.526 531 HB2 GLU 67 HB2 GLU 67 17.259 10.250 15.569 532 HB3 GLU 67 HB1 GLU 67 17.711 10.200 17.266 533 HG2 GLU 67 HG2 GLU 67 19.897 11.138 16.716 534 HG3 GLU 67 HG1 GLU 67 19.448 11.182 15.012 535 H TRP 68 HN TRP 68 16.784 7.321 15.026 536 HA TRP 68 HA TRP 68 15.402 6.524 17.348 537 HB2 TRP 68 HB2 TRP 68 14.190 6.514 15.300 538 HB3 TRP 68 HB1 TRP 68 15.372 5.474 14.515 539 HD1 TRP 68 HD1 TRP 68 14.823 2.962 14.463 540 HE1 TRP 68 HE1 TRP 68 13.103 1.436 15.623 541 HE3 TRP 68 HE3 TRP 68 12.815 6.319 17.780 542 HZ2 TRP 68 HZ2 TRP 68 11.169 1.616 17.663 543 HZ3 TRP 68 HZ3 TRP 68 11.042 5.552 19.301 544 HH2 TRP 68 HH2 TRP 68 10.238 3.249 19.243 545 H THR 69 HN THR 69 17.505 4.544 15.223 546 HA THR 69 HA THR 69 17.516 2.282 16.935 547 HB THR 69 HB THR 69 19.502 1.541 15.569 548 HG1 THR 69 HG1 THR 69 20.326 2.863 14.073 549 HG21 THR 69 HG21 THR 69 17.209 2.480 13.851 550 HG22 THR 69 HG22 THR 69 17.086 1.113 14.956 551 HG23 THR 69 HG23 THR 69 18.231 1.060 13.616 552 H LYS 70 HN LYS 70 19.462 5.138 16.747 553 HA LYS 70 HA LYS 70 21.704 4.282 18.259 554 HB2 LYS 70 HB2 LYS 70 21.347 6.382 16.753 555 HB3 LYS 70 HB1 LYS 70 20.764 7.130 18.234 556 HG2 LYS 70 HG2 LYS 70 22.891 6.711 19.320 557 HG3 LYS 70 HG1 LYS 70 23.475 5.867 17.887 558 HD2 LYS 70 HD2 LYS 70 24.370 7.895 17.400 559 HD3 LYS 70 HD1 LYS 70 22.749 8.222 16.786 560 HE2 LYS 70 HE2 LYS 70 23.320 10.070 18.144 561 HE3 LYS 70 HE1 LYS 70 22.191 9.104 19.091 562 HZ1 LYS 70 HZ1 LYS 70 24.063 9.848 20.425 563 HZ2 LYS 70 HZ2 LYS 70 25.148 9.080 19.382 564 HZ3 LYS 70 HZ3 LYS 70 24.062 8.161 20.296 565 H ILE 71 HN ILE 71 18.668 5.831 19.218 566 HA ILE 71 HA ILE 71 19.476 6.059 22.000 567 HB ILE 71 HB ILE 71 16.785 6.680 20.766 568 HG12 ILE 71 HG12 ILE 71 18.446 8.125 19.752 569 HG13 ILE 71 HG11 ILE 71 17.471 9.066 20.866 570 HG21 ILE 71 HG21 ILE 71 16.587 6.323 23.151 571 HG22 ILE 71 HG22 ILE 71 16.365 8.032 22.773 572 HG23 ILE 71 HG23 ILE 71 17.891 7.472 23.458 573 HD11 ILE 71 HD11 ILE 71 19.756 9.767 21.031 574 HD12 ILE 71 HD12 ILE 71 20.300 8.110 21.287 575 HD13 ILE 71 HD13 ILE 71 19.330 8.919 22.518 576 H ASN 72 HN ASN 72 17.432 3.931 20.077 577 HA ASN 72 HA ASN 72 16.047 2.717 22.239 578 HB2 ASN 72 HB2 ASN 72 16.404 2.129 19.349 579 HB3 ASN 72 HB1 ASN 72 15.829 0.824 20.382 580 HD21 ASN 72 HD21 ASN 72 15.155 4.020 19.161 581 HD22 ASN 72 HD22 ASN 72 13.468 4.018 19.530 582 H GLY 73 HN GLY 73 19.164 2.040 20.769 583 HA2 GLY 73 HA2 GLY 73 20.908 0.757 21.593 584 HA3 GLY 73 HA1 GLY 73 19.898 0.331 22.963 585 H GLY 74 HN GLY 74 20.814 -1.804 22.761 586 HA2 GLY 74 HA2 GLY 74 19.116 -3.601 21.374 587 HA3 GLY 74 HA1 GLY 74 20.651 -3.465 20.533 588 H SER 75 HN SER 75 19.625 -5.827 21.702 589 HA SER 75 HA SER 75 21.494 -6.264 23.938 590 HB2 SER 75 HB2 SER 75 18.945 -7.759 23.276 591 HB3 SER 75 HB1 SER 75 20.030 -8.139 24.613 592 HG SER 75 HG SER 75 18.325 -5.933 24.270 593 H GLY 76 HN GLY 76 20.183 -7.673 20.957 594 HA2 GLY 76 HA2 GLY 76 22.696 -8.884 20.301 595 HA3 GLY 76 HA1 GLY 76 21.511 -10.074 20.820 596 H GLY 77 HN GLY 77 22.874 -9.226 18.172 597 HA2 GLY 77 HA2 GLY 77 21.365 -10.234 16.269 598 HA3 GLY 77 HA1 GLY 77 20.510 -8.718 16.519 599 H SER 78 HN SER 78 22.434 -10.083 14.420 600 HA SER 78 HA SER 78 24.250 -7.811 14.027 601 HB2 SER 78 HB2 SER 78 24.235 -10.547 12.730 602 HB3 SER 78 HB1 SER 78 25.427 -9.283 12.426 603 HG SER 78 HG SER 78 25.500 -9.469 14.954 604 H GLY 79 HN GLY 79 24.203 -6.550 12.221 605 HA2 GLY 79 HA2 GLY 79 22.638 -7.182 9.903 606 HA3 GLY 79 HA1 GLY 79 21.854 -5.983 10.922 607 H GLY 80 HN GLY 80 22.135 -4.019 10.137 608 HA2 GLY 80 HA2 GLY 80 24.251 -2.440 10.049 609 HA3 GLY 80 HA1 GLY 80 24.529 -3.377 8.588 610 H SER 81 HN SER 81 24.107 -0.544 8.780 611 HA SER 81 HA SER 81 21.456 -0.159 7.591 612 HB2 SER 81 HB2 SER 81 21.989 2.285 7.843 613 HB3 SER 81 HB1 SER 81 21.946 1.395 9.365 614 HG SER 81 HG SER 81 23.987 2.759 8.238 615 H GLY 82 HN GLY 82 21.166 0.214 5.491 616 HA2 GLY 82 HA2 GLY 82 22.116 1.521 3.537 617 HA3 GLY 82 HA1 GLY 82 23.565 0.563 3.803 618 H GLY 83 HN GLY 83 20.073 -0.139 3.602 619 HA2 GLY 83 HA2 GLY 83 20.715 -2.303 1.695 620 HA3 GLY 83 HA1 GLY 83 19.371 -2.352 2.824 621 H ASP 84 HN ASP 84 17.675 -2.517 1.471 622 HA ASP 84 HA ASP 84 17.408 -0.570 -0.713 623 HB2 ASP 84 HB2 ASP 84 16.030 -3.204 -0.177 624 HB3 ASP 84 HB1 ASP 84 15.505 -2.090 -1.435 625 H VAL 85 HN VAL 85 15.688 0.808 -0.864 626 HA VAL 85 HA VAL 85 13.920 0.974 1.495 627 HB VAL 85 HB VAL 85 14.576 3.338 -0.273 628 HG11 VAL 85 HG11 VAL 85 13.899 4.644 1.692 629 HG12 VAL 85 HG12 VAL 85 13.568 3.149 2.567 630 HG13 VAL 85 HG13 VAL 85 12.611 3.570 1.147 631 HG21 VAL 85 HG21 VAL 85 16.043 2.532 2.241 632 HG22 VAL 85 HG22 VAL 85 16.241 4.059 1.380 633 HG23 VAL 85 HG23 VAL 85 16.706 2.544 0.606 634 H MET 86 HN MET 86 11.744 1.359 1.182 635 HA MET 86 HA MET 86 10.768 1.135 -1.591 636 HB2 MET 86 HB2 MET 86 9.766 -0.158 0.934 637 HB3 MET 86 HB1 MET 86 8.733 0.024 -0.476 638 HG2 MET 86 HG2 MET 86 11.371 -1.427 -0.442 639 HG3 MET 86 HG1 MET 86 9.788 -2.192 -0.327 640 HE1 MET 86 HE1 MET 86 10.967 -3.173 -3.933 641 HE2 MET 86 HE2 MET 86 10.294 -3.777 -2.420 642 HE3 MET 86 HE3 MET 86 11.912 -3.079 -2.447 643 H VAL 87 HN VAL 87 9.001 2.335 -2.199 644 HA VAL 87 HA VAL 87 8.376 4.630 -0.514 645 HB VAL 87 HB VAL 87 7.239 4.387 -3.261 646 HG11 VAL 87 HG11 VAL 87 6.776 6.346 -1.925 647 HG12 VAL 87 HG12 VAL 87 7.765 6.782 -3.318 648 HG13 VAL 87 HG13 VAL 87 8.502 6.642 -1.723 649 HG21 VAL 87 HG21 VAL 87 9.509 3.588 -3.642 650 HG22 VAL 87 HG22 VAL 87 10.163 4.983 -2.784 651 HG23 VAL 87 HG23 VAL 87 9.306 5.207 -4.310 652 H VAL 88 HN VAL 88 6.166 5.360 -0.265 653 HA VAL 88 HA VAL 88 4.366 3.350 0.556 654 HB VAL 88 HB VAL 88 3.899 6.302 0.058 655 HG11 VAL 88 HG11 VAL 88 2.154 4.482 1.710 656 HG12 VAL 88 HG12 VAL 88 1.775 4.954 0.056 657 HG13 VAL 88 HG13 VAL 88 1.877 6.177 1.323 658 HG21 VAL 88 HG21 VAL 88 5.484 6.119 1.762 659 HG22 VAL 88 HG22 VAL 88 4.695 4.711 2.467 660 HG23 VAL 88 HG23 VAL 88 3.952 6.304 2.616 661 H GLY 89 HN GLY 89 3.378 1.983 -0.739 662 HA2 GLY 89 HA2 GLY 89 2.878 2.327 -3.501 663 HA3 GLY 89 HA1 GLY 89 2.266 1.036 -2.496 664 H GLU 90 HN GLU 90 0.209 0.847 -2.545 665 HA GLU 90 HA GLU 90 -1.669 2.448 -3.756 666 HB2 GLU 90 HB2 GLU 90 -1.759 0.210 -1.813 667 HB3 GLU 90 HB1 GLU 90 -3.239 1.134 -2.022 668 HG2 GLU 90 HG2 GLU 90 -3.233 0.668 -4.394 669 HG3 GLU 90 HG1 GLU 90 -1.696 -0.179 -4.248 670 HA PRO 91 HA PRO 91 -2.772 5.758 -1.025 671 HB2 PRO 91 HB2 PRO 91 -5.482 5.919 -1.288 672 HB3 PRO 91 HB1 PRO 91 -4.337 6.542 -2.488 673 HG2 PRO 91 HG2 PRO 91 -5.917 4.006 -2.492 674 HG3 PRO 91 HG1 PRO 91 -5.505 5.073 -3.846 675 HD2 PRO 91 HD2 PRO 91 -4.222 2.725 -3.359 676 HD3 PRO 91 HD1 PRO 91 -3.437 4.113 -4.133 677 H THR 92 HN THR 92 -3.540 6.332 0.906 678 HA THR 92 HA THR 92 -4.506 4.293 2.687 679 HB THR 92 HB THR 92 -3.680 6.058 4.401 680 HG1 THR 92 HG1 THR 92 -2.918 7.198 1.981 681 HG21 THR 92 HG21 THR 92 -1.485 5.191 4.405 682 HG22 THR 92 HG22 THR 92 -1.490 4.956 2.659 683 HG23 THR 92 HG23 THR 92 -2.471 3.916 3.688 684 H LEU 93 HN LEU 93 -6.679 4.385 2.836 685 HA LEU 93 HA LEU 93 -8.263 6.644 2.257 686 HB2 LEU 93 HB2 LEU 93 -8.866 4.008 3.574 687 HB3 LEU 93 HB1 LEU 93 -10.097 5.231 3.373 688 HG LEU 93 HG LEU 93 -10.348 3.593 1.641 689 HD11 LEU 93 HD11 LEU 93 -10.628 6.033 1.055 690 HD12 LEU 93 HD12 LEU 93 -10.412 4.914 -0.290 691 HD13 LEU 93 HD13 LEU 93 -9.065 5.917 0.245 692 HD21 LEU 93 HD21 LEU 93 -7.474 4.097 0.895 693 HD22 LEU 93 HD22 LEU 93 -8.608 3.091 -0.006 694 HD23 LEU 93 HD23 LEU 93 -8.127 2.632 1.628 695 H MET 94 HN MET 94 -8.357 8.414 3.374 696 HA MET 94 HA MET 94 -7.470 9.439 5.548 697 HB2 MET 94 HB2 MET 94 -10.336 9.659 4.685 698 HB3 MET 94 HB1 MET 94 -9.679 10.643 5.984 699 HG2 MET 94 HG2 MET 94 -8.022 11.569 4.451 700 HG3 MET 94 HG1 MET 94 -8.672 10.577 3.147 701 HE1 MET 94 HE1 MET 94 -8.950 12.735 1.625 702 HE2 MET 94 HE2 MET 94 -8.293 13.734 2.921 703 HE3 MET 94 HE3 MET 94 -9.807 14.190 2.138 704 H GLY 95 HN GLY 95 -7.299 9.246 7.665 705 HA2 GLY 95 HA2 GLY 95 -9.382 7.931 9.233 706 HA3 GLY 95 HA1 GLY 95 -7.795 7.181 9.243 707 H GLY 96 HN GLY 96 -6.963 7.560 11.203 708 HA2 GLY 96 HA2 GLY 96 -6.147 10.165 11.972 709 HA3 GLY 96 HA1 GLY 96 -7.545 9.676 12.915 710 H GLU 97 HN GLU 97 -4.989 10.239 13.978 711 HA GLU 97 HA GLU 97 -4.284 7.611 15.110 712 HB2 GLU 97 HB2 GLU 97 -2.413 9.773 14.150 713 HB3 GLU 97 HB1 GLU 97 -1.905 8.531 15.285 714 HG2 GLU 97 HG2 GLU 97 -2.408 6.806 13.653 715 HG3 GLU 97 HG1 GLU 97 -2.981 8.028 12.519 716 H PHE 98 HN PHE 98 -3.369 7.679 17.265 717 HA PHE 98 HA PHE 98 -3.943 10.158 18.735 718 HB2 PHE 98 HB2 PHE 98 -4.691 8.706 20.670 719 HB3 PHE 98 HB1 PHE 98 -5.781 8.781 19.298 720 HD1 PHE 98 HD1 PHE 98 -3.448 6.666 21.178 721 HD2 PHE 98 HD2 PHE 98 -6.242 6.833 17.973 722 HE1 PHE 98 HE1 PHE 98 -3.493 4.207 21.094 723 HE2 PHE 98 HE2 PHE 98 -6.293 4.376 17.884 724 HZ PHE 98 HZ PHE 98 -4.918 3.059 19.447 725 H GLY 99 HN GLY 99 -2.116 7.101 18.744 726 HA2 GLY 99 HA2 GLY 99 0.371 7.921 19.215 727 HA3 GLY 99 HA1 GLY 99 -0.325 8.121 20.813 728 H ASP 100 HN ASP 100 1.846 6.387 19.955 729 HA ASP 100 HA ASP 100 0.941 3.921 21.158 730 HB2 ASP 100 HB2 ASP 100 2.005 4.006 18.328 731 HB3 ASP 100 HB1 ASP 100 2.078 2.552 19.315 732 H GLU 101 HN GLU 101 2.282 4.128 22.816 733 HA GLU 101 HA GLU 101 5.058 4.886 22.530 734 HB2 GLU 101 HB2 GLU 101 3.339 4.187 24.900 735 HB3 GLU 101 HB1 GLU 101 5.068 4.467 25.051 736 HG2 GLU 101 HG2 GLU 101 4.786 6.724 24.166 737 HG3 GLU 101 HG1 GLU 101 3.054 6.443 24.002 738 H ASP 102 HN ASP 102 3.325 1.935 22.565 739 HA ASP 102 HA ASP 102 5.050 0.136 23.807 740 HB2 ASP 102 HB2 ASP 102 3.043 -0.155 21.599 741 HB3 ASP 102 HB1 ASP 102 3.980 -1.533 22.162 742 H GLU 103 HN GLU 103 5.712 1.856 20.953 743 HA GLU 103 HA GLU 103 7.297 -0.110 19.595 744 HB2 GLU 103 HB2 GLU 103 6.982 2.865 19.265 745 HB3 GLU 103 HB1 GLU 103 8.119 1.936 18.300 746 HG2 GLU 103 HG2 GLU 103 6.289 2.010 16.920 747 HG3 GLU 103 HG1 GLU 103 6.042 0.473 17.745 748 H ARG 104 HN ARG 104 7.909 1.484 22.428 749 HA ARG 104 HA ARG 104 10.755 1.940 21.985 750 HB2 ARG 104 HB2 ARG 104 8.914 2.441 24.319 751 HB3 ARG 104 HB1 ARG 104 10.657 2.631 24.449 752 HG2 ARG 104 HG2 ARG 104 10.636 4.347 22.746 753 HG3 ARG 104 HG1 ARG 104 8.906 4.110 22.493 754 HD2 ARG 104 HD2 ARG 104 9.098 6.019 23.864 755 HD3 ARG 104 HD1 ARG 104 8.601 4.709 24.933 756 HE ARG 104 HE ARG 104 11.424 4.947 24.901 757 HH11 ARG 104 HH11 ARG 104 8.580 6.543 26.204 758 HH12 ARG 104 HH12 ARG 104 9.433 7.210 27.556 759 HH21 ARG 104 HH21 ARG 104 12.520 5.830 26.679 760 HH22 ARG 104 HH22 ARG 104 11.661 6.806 27.823 761 H LEU 105 HN LEU 105 9.198 -0.794 22.280 762 HA LEU 105 HA LEU 105 10.761 -2.001 24.436 763 HB2 LEU 105 HB2 LEU 105 8.220 -2.357 23.948 764 HB3 LEU 105 HB1 LEU 105 8.791 -3.487 22.739 765 HG LEU 105 HG LEU 105 9.826 -3.806 25.516 766 HD11 LEU 105 HD11 LEU 105 7.856 -5.128 26.138 767 HD12 LEU 105 HD12 LEU 105 7.051 -4.610 24.656 768 HD13 LEU 105 HD13 LEU 105 7.462 -3.426 25.897 769 HD21 LEU 105 HD21 LEU 105 10.618 -5.260 23.720 770 HD22 LEU 105 HD22 LEU 105 8.959 -5.744 23.370 771 HD23 LEU 105 HD23 LEU 105 9.696 -6.174 24.914 772 H ILE 106 HN ILE 106 10.442 -2.106 20.925 773 HA ILE 106 HA ILE 106 12.316 -4.311 20.695 774 HB ILE 106 HB ILE 106 12.043 -4.051 18.230 775 HG12 ILE 106 HG12 ILE 106 11.306 -1.632 18.245 776 HG13 ILE 106 HG11 ILE 106 10.347 -2.693 17.233 777 HG21 ILE 106 HG21 ILE 106 10.828 -5.711 19.485 778 HG22 ILE 106 HG22 ILE 106 9.844 -5.095 18.158 779 HG23 ILE 106 HG23 ILE 106 9.535 -4.556 19.808 780 HD11 ILE 106 HD11 ILE 106 9.595 -1.323 19.786 781 HD12 ILE 106 HD12 ILE 106 8.721 -2.757 19.248 782 HD13 ILE 106 HD13 ILE 106 8.770 -1.321 18.227 783 H THR 107 HN THR 107 14.202 -4.237 19.338 784 HA THR 107 HA THR 107 15.489 -1.600 19.100 785 HB THR 107 HB THR 107 17.653 -2.709 19.826 786 HG1 THR 107 HG1 THR 107 15.805 -4.687 20.715 787 HG21 THR 107 HG21 THR 107 15.426 -2.401 21.842 788 HG22 THR 107 HG22 THR 107 16.559 -1.159 21.311 789 HG23 THR 107 HG23 THR 107 17.136 -2.531 22.256 790 H ARG 108 HN ARG 108 17.393 -1.626 17.629 791 HA ARG 108 HA ARG 108 17.166 -3.736 15.584 792 HB2 ARG 108 HB2 ARG 108 16.321 -1.259 15.118 793 HB3 ARG 108 HB1 ARG 108 18.027 -0.980 14.812 794 HG2 ARG 108 HG2 ARG 108 16.646 -3.246 13.440 795 HG3 ARG 108 HG1 ARG 108 16.422 -1.600 12.854 796 HD2 ARG 108 HD2 ARG 108 18.849 -1.357 12.620 797 HD3 ARG 108 HD1 ARG 108 19.070 -3.005 13.205 798 HE ARG 108 HE ARG 108 17.351 -3.117 11.019 799 HH11 ARG 108 HH11 ARG 108 20.706 -2.269 11.624 800 HH12 ARG 108 HH12 ARG 108 21.226 -2.723 10.036 801 HH21 ARG 108 HH21 ARG 108 18.056 -3.705 8.946 802 HH22 ARG 108 HH22 ARG 108 19.726 -3.535 8.522 803 H LEU 109 HN LEU 109 19.390 -1.104 16.590 804 HA LEU 109 HA LEU 109 21.644 -2.936 16.079 805 HB2 LEU 109 HB2 LEU 109 21.507 0.072 15.881 806 HB3 LEU 109 HB1 LEU 109 23.004 -0.835 15.811 807 HG LEU 109 HG LEU 109 20.838 -1.519 13.871 808 HD11 LEU 109 HD11 LEU 109 20.932 0.908 13.769 809 HD12 LEU 109 HD12 LEU 109 21.659 0.198 12.328 810 HD13 LEU 109 HD13 LEU 109 22.686 0.848 13.605 811 HD21 LEU 109 HD21 LEU 109 23.850 -1.427 13.687 812 HD22 LEU 109 HD22 LEU 109 22.754 -1.999 12.429 813 HD23 LEU 109 HD23 LEU 109 22.873 -2.871 13.957 814 H GLU 110 HN GLU 110 23.368 -2.990 17.534 815 HA GLU 110 HA GLU 110 22.644 -2.272 20.266 816 HB2 GLU 110 HB2 GLU 110 23.618 -4.562 19.362 817 HB3 GLU 110 HB1 GLU 110 25.156 -3.743 19.594 818 HG2 GLU 110 HG2 GLU 110 24.567 -3.349 21.950 819 HG3 GLU 110 HG1 GLU 110 23.061 -4.232 21.701 820 H ASN 111 HN ASN 111 23.441 -0.585 21.294 821 HA ASN 111 HA ASN 111 26.037 0.529 20.506 822 HB2 ASN 111 HB2 ASN 111 25.069 2.850 20.851 823 HB3 ASN 111 HB1 ASN 111 24.532 2.011 19.403 824 HD21 ASN 111 HD21 ASN 111 22.401 1.360 19.232 825 HD22 ASN 111 HD22 ASN 111 21.167 1.929 20.298 826 H THR 112 HN THR 112 26.970 1.991 22.171 827 HA THR 112 HA THR 112 26.613 0.823 24.804 828 HB THR 112 HB THR 112 28.558 2.349 25.413 829 HG1 THR 112 HG1 THR 112 29.726 3.021 23.418 830 HG21 THR 112 HG21 THR 112 28.963 0.356 23.178 831 HG22 THR 112 HG22 THR 112 28.877 -0.018 24.900 832 HG23 THR 112 HG23 THR 112 30.216 0.943 24.272 833 H GLN 113 HN GLN 113 25.200 1.597 26.189 834 HA GLN 113 HA GLN 113 24.859 4.502 26.466 835 HB2 GLN 113 HB2 GLN 113 22.663 2.454 26.168 836 HB3 GLN 113 HB1 GLN 113 22.382 4.026 26.900 837 HG2 GLN 113 HG2 GLN 113 23.114 5.108 24.823 838 HG3 GLN 113 HG1 GLN 113 23.351 3.521 24.094 839 HE21 GLN 113 HE21 GLN 113 21.030 5.854 25.202 840 HE22 GLN 113 HE22 GLN 113 19.647 5.138 24.454 841 H PHE 114 HN PHE 114 24.025 5.172 28.545 842 HA PHE 114 HA PHE 114 24.941 3.424 30.696 843 HB2 PHE 114 HB2 PHE 114 24.222 6.356 30.605 844 HB3 PHE 114 HB1 PHE 114 24.598 5.512 32.103 845 HD1 PHE 114 HD2 PHE 114 26.856 4.790 32.591 846 HD2 PHE 114 HD1 PHE 114 25.939 6.836 28.973 847 HE1 PHE 114 HE2 PHE 114 29.253 5.202 32.220 848 HE2 PHE 114 HE1 PHE 114 28.334 7.250 28.596 849 HZ PHE 114 HZ PHE 114 29.995 6.433 30.221 850 H ASP 115 HN ASP 115 23.692 3.035 32.590 851 HA ASP 115 HA ASP 115 20.840 2.754 32.030 852 HB2 ASP 115 HB2 ASP 115 22.633 1.568 34.151 853 HB3 ASP 115 HB1 ASP 115 20.887 1.353 34.147 854 H ALA 116 HN ALA 116 19.213 3.477 33.400 855 HA ALA 116 HA ALA 116 19.995 5.523 35.374 856 HB1 ALA 116 HB1 ALA 116 19.139 6.570 33.332 857 HB2 ALA 116 HB2 ALA 116 18.065 6.851 34.702 858 HB3 ALA 116 HB3 ALA 116 17.645 5.646 33.485 859 H ALA 117 HN ALA 117 18.533 5.855 37.132 860 HA ALA 117 HA ALA 117 17.155 3.409 37.928 861 HB1 ALA 117 HB1 ALA 117 17.803 5.870 39.546 862 HB2 ALA 117 HB2 ALA 117 18.776 4.400 39.472 863 HB3 ALA 117 HB3 ALA 117 17.157 4.351 40.170 864 H ASN 118 HN ASN 118 16.494 6.869 37.503 865 HA ASN 118 HA ASN 118 14.609 8.094 37.215 866 HB2 ASN 118 HB2 ASN 118 13.426 5.413 36.474 867 HB3 ASN 118 HB1 ASN 118 12.548 6.932 36.338 868 HD21 ASN 118 HD21 ASN 118 15.144 4.996 35.089 869 HD22 ASN 118 HD22 ASN 118 15.391 5.898 33.637 870 H GLY 119 HN GLY 119 13.351 9.068 38.639 871 HA2 GLY 119 HA2 GLY 119 12.507 7.562 41.018 872 HA3 GLY 119 HA1 GLY 119 12.685 9.307 40.916 873 H ILE 120 HN ILE 120 10.962 10.539 40.419 874 HA ILE 120 HA ILE 120 8.441 9.136 39.834 875 HB ILE 120 HB ILE 120 7.341 11.257 40.778 876 HG12 ILE 120 HG12 ILE 120 8.953 12.109 42.740 877 HG13 ILE 120 HG11 ILE 120 10.189 11.731 41.546 878 HG21 ILE 120 HG21 ILE 120 8.841 9.388 42.600 879 HG22 ILE 120 HG22 ILE 120 7.255 9.112 41.881 880 HG23 ILE 120 HG23 ILE 120 7.471 10.396 43.071 881 HD11 ILE 120 HD11 ILE 120 9.113 13.240 39.958 882 HD12 ILE 120 HD12 ILE 120 9.552 14.070 41.450 883 HD13 ILE 120 HD13 ILE 120 7.874 13.615 41.156 884 H ASP 121 HN ASP 121 7.000 9.965 38.329 885 HA ASP 121 HA ASP 121 8.030 12.096 36.575 886 HB2 ASP 121 HB2 ASP 121 6.810 9.448 35.779 887 HB3 ASP 121 HB1 ASP 121 6.962 10.805 34.666 888 H ASP 122 HN ASP 122 6.599 13.596 35.903 889 HA ASP 122 HA ASP 122 3.861 13.399 36.952 890 HB2 ASP 122 HB2 ASP 122 5.559 15.777 36.183 891 HB3 ASP 122 HB1 ASP 122 3.841 15.906 36.544 892 H GLU 123 HN GLU 123 2.102 13.561 35.664 893 HA GLU 123 HA GLU 123 2.572 13.499 32.768 894 HB2 GLU 123 HB2 GLU 123 1.248 11.695 34.187 895 HB3 GLU 123 HB1 GLU 123 -0.078 12.832 33.988 896 HG2 GLU 123 HG2 GLU 123 0.166 12.693 31.560 897 HG3 GLU 123 HG1 GLU 123 1.497 11.553 31.760 Start of MODEL 4 1 H TYR 1 HT1 TYR 1 -27.470 -3.543 11.083 2 HA TYR 1 HA TYR 1 -25.750 -2.799 9.593 3 HB2 TYR 1 HB2 TYR 1 -23.928 -3.873 11.754 4 HB3 TYR 1 HB1 TYR 1 -23.385 -3.528 10.116 5 HD1 TYR 1 HD2 TYR 1 -24.484 -2.076 13.291 6 HD2 TYR 1 HD1 TYR 1 -23.165 -1.236 9.335 7 HE1 TYR 1 HE2 TYR 1 -24.084 0.266 13.928 8 HE2 TYR 1 HE1 TYR 1 -22.760 1.108 9.960 9 HH TYR 1 HH TYR 1 -23.518 2.719 11.654 10 H LEU 2 HN LEU 2 -25.535 -4.121 7.896 11 HA LEU 2 HA LEU 2 -25.991 -6.987 8.325 12 HB2 LEU 2 HB2 LEU 2 -27.423 -5.468 6.773 13 HB3 LEU 2 HB1 LEU 2 -26.079 -5.605 5.660 14 HG LEU 2 HG LEU 2 -26.437 -8.196 6.046 15 HD11 LEU 2 HD11 LEU 2 -28.799 -8.758 6.324 16 HD12 LEU 2 HD12 LEU 2 -29.170 -7.062 6.630 17 HD13 LEU 2 HD13 LEU 2 -28.154 -7.961 7.758 18 HD21 LEU 2 HD21 LEU 2 -26.601 -7.065 3.902 19 HD22 LEU 2 HD22 LEU 2 -28.219 -6.495 4.308 20 HD23 LEU 2 HD23 LEU 2 -27.920 -8.220 4.094 21 H ARG 3 HN ARG 3 -24.705 -8.558 7.338 22 HA ARG 3 HA ARG 3 -21.930 -8.028 7.228 23 HB2 ARG 3 HB2 ARG 3 -23.588 -10.425 6.477 24 HB3 ARG 3 HB1 ARG 3 -21.842 -10.406 6.273 25 HG2 ARG 3 HG2 ARG 3 -21.574 -9.982 8.674 26 HG3 ARG 3 HG1 ARG 3 -23.328 -10.038 8.867 27 HD2 ARG 3 HD2 ARG 3 -23.347 -12.347 8.077 28 HD3 ARG 3 HD1 ARG 3 -21.599 -12.292 7.851 29 HE ARG 3 HE ARG 3 -22.249 -11.624 10.516 30 HH11 ARG 3 HH11 ARG 3 -22.117 -14.420 8.395 31 HH12 ARG 3 HH12 ARG 3 -21.846 -15.536 9.693 32 HH21 ARG 3 HH21 ARG 3 -21.893 -13.102 12.198 33 HH22 ARG 3 HH22 ARG 3 -21.719 -14.788 11.844 34 H LEU 4 HN LEU 4 -20.619 -7.454 5.636 35 HA LEU 4 HA LEU 4 -21.543 -7.663 2.848 36 HB2 LEU 4 HB2 LEU 4 -20.220 -5.301 4.177 37 HB3 LEU 4 HB1 LEU 4 -20.341 -5.481 2.437 38 HG LEU 4 HG LEU 4 -22.934 -5.785 3.688 39 HD11 LEU 4 HD11 LEU 4 -23.198 -3.467 4.422 40 HD12 LEU 4 HD12 LEU 4 -21.475 -3.190 4.169 41 HD13 LEU 4 HD13 LEU 4 -22.013 -4.328 5.405 42 HD21 LEU 4 HD21 LEU 4 -23.529 -4.070 2.051 43 HD22 LEU 4 HD22 LEU 4 -22.563 -5.349 1.315 44 HD23 LEU 4 HD23 LEU 4 -21.821 -3.798 1.710 45 H PHE 5 HN PHE 5 -18.821 -7.451 5.082 46 HA PHE 5 HA PHE 5 -16.687 -8.205 5.054 47 HB2 PHE 5 HB2 PHE 5 -17.717 -9.958 2.817 48 HB3 PHE 5 HB1 PHE 5 -16.098 -10.093 3.489 49 HD1 PHE 5 HD2 PHE 5 -15.758 -10.923 5.760 50 HD2 PHE 5 HD1 PHE 5 -19.638 -10.735 4.020 51 HE1 PHE 5 HE2 PHE 5 -16.611 -12.430 7.508 52 HE2 PHE 5 HE1 PHE 5 -20.498 -12.243 5.765 53 HZ PHE 5 HZ PHE 5 -18.983 -13.092 7.512 54 H GLY 6 HN GLY 6 -14.955 -7.124 4.484 55 HA2 GLY 6 HA2 GLY 6 -14.845 -5.925 1.790 56 HA3 GLY 6 HA1 GLY 6 -14.042 -5.283 3.217 57 H GLN 7 HN GLN 7 -12.281 -6.576 4.138 58 HA GLN 7 HA GLN 7 -10.870 -8.148 2.081 59 HB2 GLN 7 HB2 GLN 7 -9.889 -6.010 3.930 60 HB3 GLN 7 HB1 GLN 7 -8.789 -7.308 3.484 61 HG2 GLN 7 HG2 GLN 7 -8.297 -5.725 1.895 62 HG3 GLN 7 HG1 GLN 7 -9.501 -6.687 1.046 63 HE21 GLN 7 HE21 GLN 7 -8.759 -3.633 2.479 64 HE22 GLN 7 HE22 GLN 7 -10.171 -2.795 1.943 65 H ASP 8 HN ASP 8 -9.814 -9.980 2.693 66 HA ASP 8 HA ASP 8 -10.586 -11.123 5.269 67 HB2 ASP 8 HB2 ASP 8 -9.401 -12.307 2.759 68 HB3 ASP 8 HB1 ASP 8 -9.625 -13.236 4.238 69 H GLY 9 HN GLY 9 -7.960 -9.541 3.915 70 HA2 GLY 9 HA2 GLY 9 -5.917 -10.913 5.476 71 HA3 GLY 9 HA1 GLY 9 -5.645 -9.651 4.284 72 H LEU 10 HN LEU 10 -6.535 -10.365 7.547 73 HA LEU 10 HA LEU 10 -7.062 -7.866 8.630 74 HB2 LEU 10 HB2 LEU 10 -5.717 -10.257 9.885 75 HB3 LEU 10 HB1 LEU 10 -6.233 -8.849 10.792 76 HG LEU 10 HG LEU 10 -8.559 -9.453 9.594 77 HD11 LEU 10 HD11 LEU 10 -7.694 -11.385 8.410 78 HD12 LEU 10 HD12 LEU 10 -8.877 -11.881 9.619 79 HD13 LEU 10 HD13 LEU 10 -7.154 -12.098 9.929 80 HD21 LEU 10 HD21 LEU 10 -8.277 -9.135 11.964 81 HD22 LEU 10 HD22 LEU 10 -7.450 -10.686 12.109 82 HD23 LEU 10 HD23 LEU 10 -9.159 -10.634 11.677 83 H CYS 11 HN CYS 11 -5.704 -6.511 10.089 84 HA CYS 11 HA CYS 11 -3.450 -5.509 8.725 85 HB2 CYS 11 HB2 CYS 11 -4.903 -4.211 10.269 86 HB3 CYS 11 HB1 CYS 11 -4.173 -5.065 11.623 87 H ALA 12 HN ALA 12 -1.362 -5.800 8.868 88 HA ALA 12 HA ALA 12 -0.249 -8.127 10.020 89 HB1 ALA 12 HB1 ALA 12 1.298 -5.741 9.057 90 HB2 ALA 12 HB2 ALA 12 0.550 -6.917 7.977 91 HB3 ALA 12 HB3 ALA 12 1.811 -7.428 9.101 92 H SER 13 HN SER 13 -0.283 -4.761 11.107 93 HA SER 13 HA SER 13 1.500 -5.344 13.332 94 HB2 SER 13 HB2 SER 13 0.262 -2.823 12.260 95 HB3 SER 13 HB1 SER 13 1.006 -2.854 13.858 96 HG SER 13 HG SER 13 2.596 -2.279 12.450 97 H CYS 14 HN CYS 14 -1.845 -4.107 12.950 98 HA CYS 14 HA CYS 14 -2.351 -4.878 15.736 99 HB2 CYS 14 HB2 CYS 14 -4.043 -3.276 15.850 100 HB3 CYS 14 HB1 CYS 14 -2.841 -2.497 14.833 101 H ASP 15 HN ASP 15 -4.337 -5.977 16.269 102 HA ASP 15 HA ASP 15 -4.992 -8.005 14.281 103 HB2 ASP 15 HB2 ASP 15 -5.529 -7.790 17.248 104 HB3 ASP 15 HB1 ASP 15 -6.192 -9.084 16.254 105 H LYS 16 HN LYS 16 -6.021 -5.812 13.319 106 HA LYS 16 HA LYS 16 -8.889 -5.912 13.979 107 HB2 LYS 16 HB2 LYS 16 -7.722 -3.771 14.650 108 HB3 LYS 16 HB1 LYS 16 -7.431 -3.470 12.953 109 HG2 LYS 16 HG2 LYS 16 -9.830 -3.386 12.535 110 HG3 LYS 16 HG1 LYS 16 -10.142 -3.747 14.233 111 HD2 LYS 16 HD2 LYS 16 -9.018 -1.670 14.880 112 HD3 LYS 16 HD1 LYS 16 -8.698 -1.313 13.182 113 HE2 LYS 16 HE2 LYS 16 -11.105 -1.240 12.748 114 HE3 LYS 16 HE1 LYS 16 -11.423 -1.600 14.445 115 HZ1 LYS 16 HZ1 LYS 16 -10.333 0.470 15.049 116 HZ2 LYS 16 HZ2 LYS 16 -11.619 0.763 13.990 117 HZ3 LYS 16 HZ3 LYS 16 -10.027 0.814 13.421 118 H ARG 17 HN ARG 17 -10.263 -6.245 12.331 119 HA ARG 17 HA ARG 17 -9.324 -7.301 9.894 120 HB2 ARG 17 HB2 ARG 17 -12.113 -6.401 10.631 121 HB3 ARG 17 HB1 ARG 17 -11.702 -7.393 9.241 122 HG2 ARG 17 HG2 ARG 17 -10.698 -9.017 10.968 123 HG3 ARG 17 HG1 ARG 17 -11.642 -8.108 12.146 124 HD2 ARG 17 HD2 ARG 17 -13.679 -8.569 10.880 125 HD3 ARG 17 HD1 ARG 17 -12.741 -9.468 9.688 126 HE ARG 17 HE ARG 17 -12.292 -10.551 12.248 127 HH11 ARG 17 HH11 ARG 17 -14.823 -10.398 9.817 128 HH12 ARG 17 HH12 ARG 17 -15.544 -11.895 10.308 129 HH21 ARG 17 HH21 ARG 17 -13.252 -12.507 12.873 130 HH22 ARG 17 HH22 ARG 17 -14.654 -13.086 12.037 131 H ILE 18 HN ILE 18 -9.085 -6.516 7.905 132 HA ILE 18 HA ILE 18 -9.216 -3.636 7.509 133 HB ILE 18 HB ILE 18 -8.002 -5.911 5.930 134 HG12 ILE 18 HG12 ILE 18 -6.768 -3.378 7.057 135 HG13 ILE 18 HG11 ILE 18 -6.795 -4.916 7.906 136 HG21 ILE 18 HG21 ILE 18 -7.410 -3.294 4.808 137 HG22 ILE 18 HG22 ILE 18 -9.119 -3.704 4.673 138 HG23 ILE 18 HG23 ILE 18 -7.898 -4.782 3.997 139 HD11 ILE 18 HD11 ILE 18 -5.386 -4.362 5.303 140 HD12 ILE 18 HD12 ILE 18 -5.418 -5.908 6.150 141 HD13 ILE 18 HD13 ILE 18 -4.634 -4.513 6.891 142 H ARG 19 HN ARG 19 -10.849 -2.625 6.500 143 HA ARG 19 HA ARG 19 -12.861 -4.252 5.085 144 HB2 ARG 19 HB2 ARG 19 -13.129 -1.780 6.787 145 HB3 ARG 19 HB1 ARG 19 -14.407 -2.292 5.694 146 HG2 ARG 19 HG2 ARG 19 -14.608 -4.404 6.874 147 HG3 ARG 19 HG1 ARG 19 -13.275 -3.954 7.939 148 HD2 ARG 19 HD2 ARG 19 -15.244 -3.513 9.159 149 HD3 ARG 19 HD1 ARG 19 -14.663 -1.944 8.605 150 HE ARG 19 HE ARG 19 -16.502 -2.960 6.736 151 HH11 ARG 19 HH11 ARG 19 -16.473 -1.650 9.995 152 HH12 ARG 19 HH12 ARG 19 -18.094 -1.049 9.890 153 HH21 ARG 19 HH21 ARG 19 -18.623 -2.166 6.623 154 HH22 ARG 19 HH22 ARG 19 -19.309 -1.342 7.983 155 H ALA 20 HN ALA 20 -14.354 -2.469 3.772 156 HA ALA 20 HA ALA 20 -12.925 -1.867 1.432 157 HB1 ALA 20 HB1 ALA 20 -14.968 -0.788 0.668 158 HB2 ALA 20 HB2 ALA 20 -15.602 -0.801 2.314 159 HB3 ALA 20 HB3 ALA 20 -15.318 -2.321 1.465 160 H TYR 21 HN TYR 21 -13.353 0.012 4.300 161 HA TYR 21 HA TYR 21 -12.827 2.596 3.139 162 HB2 TYR 21 HB2 TYR 21 -14.156 2.457 5.164 163 HB3 TYR 21 HB1 TYR 21 -12.886 1.579 5.998 164 HD1 TYR 21 HD2 TYR 21 -13.923 4.896 4.749 165 HD2 TYR 21 HD1 TYR 21 -11.062 2.732 7.039 166 HE1 TYR 21 HE2 TYR 21 -13.048 7.012 5.650 167 HE2 TYR 21 HE1 TYR 21 -10.173 4.838 7.945 168 HH TYR 21 HH TYR 21 -11.798 7.799 7.626 169 H GLU 22 HN GLU 22 -10.909 -0.008 3.423 170 HA GLU 22 HA GLU 22 -8.523 1.354 4.344 171 HB2 GLU 22 HB2 GLU 22 -9.467 -1.373 4.392 172 HB3 GLU 22 HB1 GLU 22 -7.857 -1.274 3.696 173 HG2 GLU 22 HG2 GLU 22 -8.508 0.092 6.274 174 HG3 GLU 22 HG1 GLU 22 -8.087 -1.617 6.224 175 H MET 23 HN MET 23 -7.535 2.432 2.932 176 HA MET 23 HA MET 23 -7.151 1.465 0.197 177 HB2 MET 23 HB2 MET 23 -7.458 4.052 1.521 178 HB3 MET 23 HB1 MET 23 -6.236 4.037 0.257 179 HG2 MET 23 HG2 MET 23 -8.007 3.044 -1.233 180 HG3 MET 23 HG1 MET 23 -9.169 3.430 0.029 181 HE1 MET 23 HE1 MET 23 -8.691 6.146 1.174 182 HE2 MET 23 HE2 MET 23 -10.218 5.725 0.400 183 HE3 MET 23 HE3 MET 23 -9.419 7.245 0.002 184 H THR 24 HN THR 24 -5.539 0.038 0.670 185 HA THR 24 HA THR 24 -3.116 1.035 1.982 186 HB THR 24 HB THR 24 -2.481 -1.421 2.087 187 HG1 THR 24 HG1 THR 24 -3.789 -2.809 1.189 188 HG21 THR 24 HG21 THR 24 -5.008 -0.584 3.512 189 HG22 THR 24 HG22 THR 24 -3.364 -0.199 4.021 190 HG23 THR 24 HG23 THR 24 -3.914 -1.875 4.010 191 H MET 25 HN MET 25 -1.053 0.209 1.226 192 HA MET 25 HA MET 25 -0.877 0.151 -1.709 193 HB2 MET 25 HB2 MET 25 1.499 0.901 -1.338 194 HB3 MET 25 HB1 MET 25 0.289 2.056 -0.814 195 HG2 MET 25 HG2 MET 25 0.707 1.638 1.459 196 HG3 MET 25 HG1 MET 25 1.565 0.139 1.114 197 HE1 MET 25 HE1 MET 25 3.766 0.584 -0.910 198 HE2 MET 25 HE2 MET 25 4.040 -0.069 0.705 199 HE3 MET 25 HE3 MET 25 5.073 1.219 0.088 200 H ARG 26 HN ARG 26 1.211 -1.071 -2.463 201 HA ARG 26 HA ARG 26 1.080 -3.748 -1.324 202 HB2 ARG 26 HB2 ARG 26 2.266 -2.616 -3.854 203 HB3 ARG 26 HB1 ARG 26 2.626 -4.253 -3.330 204 HG2 ARG 26 HG2 ARG 26 -0.231 -3.464 -3.495 205 HG3 ARG 26 HG1 ARG 26 0.643 -3.703 -5.008 206 HD2 ARG 26 HD2 ARG 26 -0.381 -5.776 -4.457 207 HD3 ARG 26 HD1 ARG 26 1.341 -5.954 -4.137 208 HE ARG 26 HE ARG 26 -0.155 -5.169 -1.819 209 HH11 ARG 26 HH11 ARG 26 0.834 -7.949 -3.725 210 HH12 ARG 26 HH12 ARG 26 0.663 -9.058 -2.405 211 HH21 ARG 26 HH21 ARG 26 -0.372 -6.640 -0.107 212 HH22 ARG 26 HH22 ARG 26 -0.020 -8.317 -0.360 213 H VAL 27 HN VAL 27 2.337 -4.124 0.382 214 HA VAL 27 HA VAL 27 4.951 -2.822 0.594 215 HB VAL 27 HB VAL 27 3.906 -4.643 2.751 216 HG11 VAL 27 HG11 VAL 27 6.075 -3.748 3.149 217 HG12 VAL 27 HG12 VAL 27 4.956 -2.876 4.194 218 HG13 VAL 27 HG13 VAL 27 5.554 -2.119 2.718 219 HG21 VAL 27 HG21 VAL 27 2.660 -2.771 3.757 220 HG22 VAL 27 HG22 VAL 27 1.962 -3.289 2.224 221 HG23 VAL 27 HG23 VAL 27 2.934 -1.821 2.298 222 H LYS 28 HN LYS 28 6.668 -4.382 1.725 223 HA LYS 28 HA LYS 28 7.599 -6.137 -0.197 224 HB2 LYS 28 HB2 LYS 28 8.267 -5.825 2.716 225 HB3 LYS 28 HB1 LYS 28 9.084 -7.012 1.711 226 HG2 LYS 28 HG2 LYS 28 9.857 -5.238 0.226 227 HG3 LYS 28 HG1 LYS 28 9.016 -4.041 1.213 228 HD2 LYS 28 HD2 LYS 28 10.414 -4.648 3.133 229 HD3 LYS 28 HD1 LYS 28 11.257 -5.838 2.139 230 HE2 LYS 28 HE2 LYS 28 12.033 -4.053 0.658 231 HE3 LYS 28 HE1 LYS 28 11.182 -2.863 1.643 232 HZ1 LYS 28 HZ1 LYS 28 13.530 -2.949 2.194 233 HZ2 LYS 28 HZ2 LYS 28 13.411 -4.595 2.568 234 HZ3 LYS 28 HZ3 LYS 28 12.595 -3.453 3.513 235 H ASP 29 HN ASP 29 6.476 -7.271 3.037 236 HA ASP 29 HA ASP 29 5.572 -9.736 1.698 237 HB2 ASP 29 HB2 ASP 29 7.642 -9.768 3.310 238 HB3 ASP 29 HB1 ASP 29 6.416 -9.735 4.572 239 H LYS 30 HN LYS 30 4.959 -7.526 4.421 240 HA LYS 30 HA LYS 30 2.215 -8.587 4.577 241 HB2 LYS 30 HB2 LYS 30 3.788 -7.258 6.786 242 HB3 LYS 30 HB1 LYS 30 2.206 -7.996 6.917 243 HG2 LYS 30 HG2 LYS 30 3.081 -10.176 6.650 244 HG3 LYS 30 HG1 LYS 30 4.650 -9.551 6.141 245 HD2 LYS 30 HD2 LYS 30 4.698 -8.442 8.482 246 HD3 LYS 30 HD1 LYS 30 3.436 -9.610 8.879 247 HE2 LYS 30 HE2 LYS 30 4.918 -11.434 8.196 248 HE3 LYS 30 HE1 LYS 30 6.175 -10.263 7.796 249 HZ1 LYS 30 HZ1 LYS 30 5.024 -10.701 10.501 250 HZ2 LYS 30 HZ2 LYS 30 6.240 -9.591 10.115 251 HZ3 LYS 30 HZ3 LYS 30 6.535 -11.251 9.974 252 H VAL 31 HN VAL 31 0.506 -7.181 4.772 253 HA VAL 31 HA VAL 31 1.045 -4.386 4.038 254 HB VAL 31 HB VAL 31 -1.511 -6.000 3.778 255 HG11 VAL 31 HG11 VAL 31 -0.960 -3.165 2.904 256 HG12 VAL 31 HG12 VAL 31 -2.088 -3.675 4.161 257 HG13 VAL 31 HG13 VAL 31 -2.393 -4.100 2.476 258 HG21 VAL 31 HG21 VAL 31 -1.131 -5.820 1.363 259 HG22 VAL 31 HG22 VAL 31 0.179 -6.677 2.176 260 HG23 VAL 31 HG23 VAL 31 0.400 -5.001 1.675 261 H TYR 32 HN TYR 32 0.057 -2.672 5.170 262 HA TYR 32 HA TYR 32 -1.029 -3.352 7.830 263 HB2 TYR 32 HB2 TYR 32 0.861 -1.061 7.230 264 HB3 TYR 32 HB1 TYR 32 0.243 -1.523 8.810 265 HD1 TYR 32 HD2 TYR 32 2.434 -2.640 6.029 266 HD2 TYR 32 HD1 TYR 32 1.358 -3.151 10.112 267 HE1 TYR 32 HE2 TYR 32 4.381 -4.104 6.344 268 HE2 TYR 32 HE1 TYR 32 3.304 -4.610 10.445 269 HH TYR 32 HH TYR 32 4.792 -6.042 9.096 270 H HIS 33 HN HIS 33 -2.291 -1.579 8.847 271 HA HIS 33 HA HIS 33 -4.285 -0.508 7.142 272 HB2 HIS 33 HB2 HIS 33 -3.591 -0.231 10.034 273 HB3 HIS 33 HB1 HIS 33 -4.667 0.967 9.341 274 HD2 HIS 33 HD2 HIS 33 -6.927 -0.576 7.916 275 HE1 HIS 33 HE1 HIS 33 -6.941 -3.324 11.140 276 HE2 HIS 33 HE2 HIS 33 -8.265 -2.354 9.232 277 H LEU 34 HN LEU 34 -4.800 1.725 6.688 278 HA LEU 34 HA LEU 34 -2.593 3.341 5.965 279 HB2 LEU 34 HB2 LEU 34 -4.279 5.100 5.476 280 HB3 LEU 34 HB1 LEU 34 -4.625 3.563 4.718 281 HG LEU 34 HG LEU 34 -6.116 3.349 6.986 282 HD11 LEU 34 HD11 LEU 34 -5.547 5.632 7.680 283 HD12 LEU 34 HD12 LEU 34 -7.270 5.455 7.345 284 HD13 LEU 34 HD13 LEU 34 -6.221 6.251 6.173 285 HD21 LEU 34 HD21 LEU 34 -6.967 4.632 4.391 286 HD22 LEU 34 HD22 LEU 34 -8.030 3.864 5.571 287 HD23 LEU 34 HD23 LEU 34 -6.845 2.899 4.693 288 H GLU 35 HN GLU 35 -4.899 3.513 8.660 289 HA GLU 35 HA GLU 35 -3.818 5.794 9.939 290 HB2 GLU 35 HB2 GLU 35 -5.481 3.491 10.956 291 HB3 GLU 35 HB1 GLU 35 -4.988 4.823 11.992 292 HG2 GLU 35 HG2 GLU 35 -6.125 6.379 10.410 293 HG3 GLU 35 HG1 GLU 35 -6.735 4.966 9.549 294 H CYS 36 HN CYS 36 -3.017 2.372 10.094 295 HA CYS 36 HA CYS 36 -1.217 2.625 12.340 296 HB2 CYS 36 HB2 CYS 36 -1.575 0.303 10.427 297 HB3 CYS 36 HB1 CYS 36 -0.739 0.255 11.973 298 H PHE 37 HN PHE 37 -0.934 3.647 9.250 299 HA PHE 37 HA PHE 37 1.828 2.841 8.793 300 HB2 PHE 37 HB2 PHE 37 -0.018 2.998 6.987 301 HB3 PHE 37 HB1 PHE 37 0.225 4.736 7.072 302 HD1 PHE 37 HD2 PHE 37 2.015 1.540 6.426 303 HD2 PHE 37 HD1 PHE 37 1.904 5.754 5.809 304 HE1 PHE 37 HE2 PHE 37 3.867 1.350 4.819 305 HE2 PHE 37 HE1 PHE 37 3.764 5.567 4.207 306 HZ PHE 37 HZ PHE 37 4.744 3.365 3.708 307 H LYS 38 HN LYS 38 2.001 4.089 11.020 308 HA LYS 38 HA LYS 38 2.857 6.852 10.444 309 HB2 LYS 38 HB2 LYS 38 1.693 5.708 12.991 310 HB3 LYS 38 HB1 LYS 38 2.440 7.295 12.888 311 HG2 LYS 38 HG2 LYS 38 0.740 7.880 11.139 312 HG3 LYS 38 HG1 LYS 38 -0.064 6.356 11.507 313 HD2 LYS 38 HD2 LYS 38 0.551 8.189 13.775 314 HD3 LYS 38 HD1 LYS 38 -0.759 8.640 12.688 315 HE2 LYS 38 HE2 LYS 38 -1.727 7.422 14.487 316 HE3 LYS 38 HE1 LYS 38 -1.747 6.363 13.079 317 HZ1 LYS 38 HZ1 LYS 38 -1.036 5.186 15.065 318 HZ2 LYS 38 HZ2 LYS 38 0.243 6.269 15.286 319 HZ3 LYS 38 HZ3 LYS 38 0.223 5.250 13.936 320 H CYS 39 HN CYS 39 4.597 7.654 11.907 321 HA CYS 39 HA CYS 39 6.862 5.962 11.834 322 HB2 CYS 39 HB2 CYS 39 6.865 8.477 11.685 323 HB3 CYS 39 HB1 CYS 39 6.594 8.511 13.423 324 H ALA 40 HN ALA 40 8.090 5.044 13.474 325 HA ALA 40 HA ALA 40 6.566 4.153 15.780 326 HB1 ALA 40 HB1 ALA 40 8.075 2.405 15.961 327 HB2 ALA 40 HB2 ALA 40 9.375 3.315 15.192 328 HB3 ALA 40 HB3 ALA 40 8.034 2.708 14.223 329 H ALA 41 HN ALA 41 8.775 6.657 15.175 330 HA ALA 41 HA ALA 41 9.636 6.705 17.989 331 HB1 ALA 41 HB1 ALA 41 11.426 6.584 16.259 332 HB2 ALA 41 HB2 ALA 41 11.549 7.967 17.345 333 HB3 ALA 41 HB3 ALA 41 10.929 8.183 15.707 334 H CYS 42 HN CYS 42 8.589 8.920 15.364 335 HA CYS 42 HA CYS 42 7.823 10.858 17.434 336 HB2 CYS 42 HB2 CYS 42 7.916 12.578 15.777 337 HB3 CYS 42 HB1 CYS 42 9.375 11.610 15.619 338 H GLN 43 HN GLN 43 6.441 8.487 15.563 339 HA GLN 43 HA GLN 43 4.333 7.809 15.108 340 HB2 GLN 43 HB2 GLN 43 3.741 9.902 17.182 341 HB3 GLN 43 HB1 GLN 43 2.442 9.021 16.392 342 HG2 GLN 43 HG2 GLN 43 2.804 7.838 18.356 343 HG3 GLN 43 HG1 GLN 43 3.681 6.905 17.145 344 HE21 GLN 43 HE21 GLN 43 5.925 6.893 17.174 345 HE22 GLN 43 HE22 GLN 43 6.835 7.427 18.543 346 H LYS 44 HN LYS 44 5.576 10.278 13.681 347 HA LYS 44 HA LYS 44 3.443 11.872 12.711 348 HB2 LYS 44 HB2 LYS 44 6.065 12.167 12.586 349 HB3 LYS 44 HB1 LYS 44 5.867 11.370 11.035 350 HG2 LYS 44 HG2 LYS 44 4.313 13.117 10.330 351 HG3 LYS 44 HG1 LYS 44 4.496 13.913 11.894 352 HD2 LYS 44 HD2 LYS 44 6.886 14.226 11.450 353 HD3 LYS 44 HD1 LYS 44 6.698 13.430 9.886 354 HE2 LYS 44 HE2 LYS 44 5.147 15.187 9.181 355 HE3 LYS 44 HE1 LYS 44 5.329 15.979 10.746 356 HZ1 LYS 44 HZ1 LYS 44 6.719 17.013 9.067 357 HZ2 LYS 44 HZ2 LYS 44 7.499 15.543 8.765 358 HZ3 LYS 44 HZ3 LYS 44 7.677 16.301 10.266 359 H HIS 45 HN HIS 45 2.729 11.953 10.416 360 HA HIS 45 HA HIS 45 1.992 9.269 9.516 361 HB2 HIS 45 HB2 HIS 45 0.906 12.012 8.855 362 HB3 HIS 45 HB1 HIS 45 0.386 10.553 8.021 363 HD1 HIS 45 HD1 HIS 45 -1.449 9.242 9.093 364 HD2 HIS 45 HD2 HIS 45 0.254 11.994 11.699 365 HE1 HIS 45 HE1 HIS 45 -2.895 9.204 11.150 366 HE2 HIS 45 HE2 HIS 45 -1.902 10.950 12.672 367 H PHE 46 HN PHE 46 2.083 8.675 7.292 368 HA PHE 46 HA PHE 46 4.286 9.979 5.833 369 HB2 PHE 46 HB2 PHE 46 3.415 7.096 5.916 370 HB3 PHE 46 HB1 PHE 46 4.539 7.711 4.719 371 HD1 PHE 46 HD1 PHE 46 4.066 7.623 8.427 372 HD2 PHE 46 HD2 PHE 46 6.785 7.533 5.154 373 HE1 PHE 46 HE1 PHE 46 5.909 7.234 9.988 374 HE2 PHE 46 HE2 PHE 46 8.647 7.144 6.716 375 HZ PHE 46 HZ PHE 46 8.212 6.993 9.139 376 H SER 47 HN SER 47 4.033 10.541 3.766 377 HA SER 47 HA SER 47 1.415 10.078 2.496 378 HB2 SER 47 HB2 SER 47 1.768 12.434 3.294 379 HB3 SER 47 HB1 SER 47 3.132 12.554 2.184 380 HG SER 47 HG SER 47 1.784 12.511 0.492 381 H VAL 48 HN VAL 48 1.446 10.231 0.105 382 HA VAL 48 HA VAL 48 3.423 8.551 -1.023 383 HB VAL 48 HB VAL 48 2.345 9.185 -3.252 384 HG11 VAL 48 HG11 VAL 48 1.788 7.158 -2.049 385 HG12 VAL 48 HG12 VAL 48 0.342 7.849 -2.785 386 HG13 VAL 48 HG13 VAL 48 0.628 8.041 -1.056 387 HG21 VAL 48 HG21 VAL 48 0.379 10.588 -1.430 388 HG22 VAL 48 HG22 VAL 48 0.134 10.254 -3.144 389 HG23 VAL 48 HG23 VAL 48 1.412 11.359 -2.635 390 H GLY 49 HN GLY 49 5.118 8.909 -2.398 391 HA2 GLY 49 HA2 GLY 49 6.372 10.331 -3.904 392 HA3 GLY 49 HA1 GLY 49 5.845 11.713 -2.958 393 H ASP 50 HN ASP 50 6.398 10.454 -0.381 394 HA ASP 50 HA ASP 50 9.286 10.899 -0.332 395 HB2 ASP 50 HB2 ASP 50 7.493 11.985 1.249 396 HB3 ASP 50 HB1 ASP 50 7.622 10.466 2.128 397 H ARG 51 HN ARG 51 10.741 9.483 0.692 398 HA ARG 51 HA ARG 51 10.051 6.675 0.435 399 HB2 ARG 51 HB2 ARG 51 12.678 8.046 1.027 400 HB3 ARG 51 HB1 ARG 51 12.487 6.308 0.851 401 HG2 ARG 51 HG2 ARG 51 11.589 6.775 -1.466 402 HG3 ARG 51 HG1 ARG 51 12.149 8.431 -1.246 403 HD2 ARG 51 HD2 ARG 51 14.423 7.622 -0.877 404 HD3 ARG 51 HD1 ARG 51 13.869 5.960 -1.071 405 HE ARG 51 HE ARG 51 13.184 7.498 -3.346 406 HH11 ARG 51 HH11 ARG 51 15.973 5.984 -1.838 407 HH12 ARG 51 HH12 ARG 51 16.821 5.789 -3.336 408 HH21 ARG 51 HH21 ARG 51 14.313 7.233 -5.294 409 HH22 ARG 51 HH22 ARG 51 15.881 6.497 -5.290 410 H TYR 52 HN TYR 52 10.102 5.146 2.055 411 HA TYR 52 HA TYR 52 10.448 6.136 4.801 412 HB2 TYR 52 HB2 TYR 52 8.518 4.946 5.566 413 HB3 TYR 52 HB1 TYR 52 8.026 5.900 4.178 414 HD1 TYR 52 HD1 TYR 52 7.614 4.756 1.985 415 HD2 TYR 52 HD2 TYR 52 8.309 2.560 5.573 416 HE1 TYR 52 HE1 TYR 52 6.672 2.744 0.934 417 HE2 TYR 52 HE2 TYR 52 7.368 0.547 4.524 418 HH TYR 52 HH TYR 52 5.850 -0.042 2.698 419 H LEU 53 HN LEU 53 10.999 4.540 6.386 420 HA LEU 53 HA LEU 53 12.339 2.175 5.248 421 HB2 LEU 53 HB2 LEU 53 13.833 3.989 6.184 422 HB3 LEU 53 HB1 LEU 53 13.141 3.655 7.757 423 HG LEU 53 HG LEU 53 14.267 1.306 6.366 424 HD11 LEU 53 HD11 LEU 53 15.908 2.973 5.717 425 HD12 LEU 53 HD12 LEU 53 16.575 1.899 6.947 426 HD13 LEU 53 HD13 LEU 53 16.036 3.519 7.387 427 HD21 LEU 53 HD21 LEU 53 14.665 2.390 9.151 428 HD22 LEU 53 HD22 LEU 53 15.020 0.759 8.578 429 HD23 LEU 53 HD23 LEU 53 13.349 1.316 8.680 430 H LEU 54 HN LEU 54 11.650 0.266 5.941 431 HA LEU 54 HA LEU 54 9.669 0.158 8.075 432 HB2 LEU 54 HB2 LEU 54 9.519 -0.981 5.735 433 HB3 LEU 54 HB1 LEU 54 10.563 -2.197 6.439 434 HG LEU 54 HG LEU 54 8.065 -1.505 7.913 435 HD11 LEU 54 HD11 LEU 54 7.280 -1.673 5.623 436 HD12 LEU 54 HD12 LEU 54 6.780 -3.088 6.550 437 HD13 LEU 54 HD13 LEU 54 8.132 -3.205 5.424 438 HD21 LEU 54 HD21 LEU 54 9.529 -4.091 7.380 439 HD22 LEU 54 HD22 LEU 54 8.127 -3.895 8.431 440 HD23 LEU 54 HD23 LEU 54 9.652 -3.113 8.843 441 H ILE 55 HN ILE 55 10.432 -0.007 10.060 442 HA ILE 55 HA ILE 55 12.917 -1.415 10.593 443 HB ILE 55 HB ILE 55 12.061 0.871 11.647 444 HG12 ILE 55 HG12 ILE 55 13.517 0.136 13.744 445 HG13 ILE 55 HG11 ILE 55 13.840 -1.260 12.726 446 HG21 ILE 55 HG21 ILE 55 10.098 -0.158 12.770 447 HG22 ILE 55 HG22 ILE 55 11.188 0.690 13.867 448 HG23 ILE 55 HG23 ILE 55 11.216 -1.072 13.785 449 HD11 ILE 55 HD11 ILE 55 15.551 0.477 12.514 450 HD12 ILE 55 HD12 ILE 55 14.321 1.605 11.941 451 HD13 ILE 55 HD13 ILE 55 14.718 0.175 10.989 452 H ASN 56 HN ASN 56 12.840 -2.687 12.828 453 HA ASN 56 HA ASN 56 11.768 -5.169 12.411 454 HB2 ASN 56 HB2 ASN 56 12.268 -3.922 15.117 455 HB3 ASN 56 HB1 ASN 56 12.210 -5.642 14.759 456 HD21 ASN 56 HD21 ASN 56 14.004 -2.689 14.358 457 HD22 ASN 56 HD22 ASN 56 15.506 -3.419 13.928 458 H SER 57 HN SER 57 10.162 -2.482 14.069 459 HA SER 57 HA SER 57 7.829 -4.208 14.527 460 HB2 SER 57 HB2 SER 57 8.813 -3.065 16.518 461 HB3 SER 57 HB1 SER 57 8.401 -1.515 15.787 462 HG SER 57 HG SER 57 6.518 -3.562 16.350 463 H ASP 58 HN ASP 58 8.135 -0.674 13.993 464 HA ASP 58 HA ASP 58 6.053 -0.906 11.917 465 HB2 ASP 58 HB2 ASP 58 6.393 1.137 14.108 466 HB3 ASP 58 HB1 ASP 58 5.421 1.473 12.681 467 H ILE 59 HN ILE 59 6.101 1.793 11.076 468 HA ILE 59 HA ILE 59 8.563 1.806 9.509 469 HB ILE 59 HB ILE 59 6.100 3.557 9.241 470 HG12 ILE 59 HG12 ILE 59 6.065 2.048 7.016 471 HG13 ILE 59 HG11 ILE 59 6.816 0.904 8.122 472 HG21 ILE 59 HG21 ILE 59 7.058 3.900 6.894 473 HG22 ILE 59 HG22 ILE 59 8.585 3.342 7.584 474 HG23 ILE 59 HG23 ILE 59 7.799 4.782 8.227 475 HD11 ILE 59 HD11 ILE 59 4.185 2.288 8.590 476 HD12 ILE 59 HD12 ILE 59 4.925 1.058 9.616 477 HD13 ILE 59 HD13 ILE 59 4.384 0.642 7.990 478 H VAL 60 HN VAL 60 10.092 3.397 9.556 479 HA VAL 60 HA VAL 60 9.801 5.506 11.603 480 HB VAL 60 HB VAL 60 12.382 4.110 10.817 481 HG11 VAL 60 HG11 VAL 60 13.400 5.295 12.681 482 HG12 VAL 60 HG12 VAL 60 11.870 6.088 13.043 483 HG13 VAL 60 HG13 VAL 60 12.712 6.444 11.535 484 HG21 VAL 60 HG21 VAL 60 10.761 2.710 12.137 485 HG22 VAL 60 HG22 VAL 60 10.930 3.880 13.445 486 HG23 VAL 60 HG23 VAL 60 12.333 2.963 12.898 487 H CYS 61 HN CYS 61 9.760 7.486 10.770 488 HA CYS 61 HA CYS 61 10.267 8.097 8.065 489 HB2 CYS 61 HB2 CYS 61 9.636 10.297 8.579 490 HB3 CYS 61 HB1 CYS 61 8.740 9.313 9.726 491 H GLU 62 HN GLU 62 11.783 9.678 7.212 492 HA GLU 62 HA GLU 62 14.471 9.018 7.729 493 HB2 GLU 62 HB2 GLU 62 13.189 11.193 6.093 494 HB3 GLU 62 HB1 GLU 62 14.934 11.014 6.199 495 HG2 GLU 62 HG2 GLU 62 14.759 8.753 5.292 496 HG3 GLU 62 HG1 GLU 62 13.009 8.932 5.186 497 H GLN 63 HN GLN 63 12.434 11.325 9.232 498 HA GLN 63 HA GLN 63 14.347 13.282 9.984 499 HB2 GLN 63 HB2 GLN 63 11.700 13.256 10.077 500 HB3 GLN 63 HB1 GLN 63 11.989 12.725 11.727 501 HG2 GLN 63 HG2 GLN 63 13.323 14.731 12.139 502 HG3 GLN 63 HG1 GLN 63 13.031 15.263 10.485 503 HE21 GLN 63 HE21 GLN 63 10.988 16.001 9.905 504 HE22 GLN 63 HE22 GLN 63 9.805 16.451 11.080 505 H ASP 64 HN ASP 64 13.033 10.491 11.800 506 HA ASP 64 HA ASP 64 15.257 10.768 13.705 507 HB2 ASP 64 HB2 ASP 64 13.816 9.499 15.312 508 HB3 ASP 64 HB1 ASP 64 13.177 11.069 14.847 509 H ILE 65 HN ILE 65 14.959 9.184 11.061 510 HA ILE 65 HA ILE 65 15.038 6.441 11.513 511 HB ILE 65 HB ILE 65 14.819 7.286 9.272 512 HG12 ILE 65 HG12 ILE 65 17.029 5.416 9.928 513 HG13 ILE 65 HG11 ILE 65 15.589 5.156 8.959 514 HG21 ILE 65 HG21 ILE 65 17.612 8.397 9.533 515 HG22 ILE 65 HG22 ILE 65 16.113 9.313 9.387 516 HG23 ILE 65 HG23 ILE 65 16.684 8.336 8.034 517 HD11 ILE 65 HD11 ILE 65 18.005 6.676 8.004 518 HD12 ILE 65 HD12 ILE 65 16.627 6.133 7.041 519 HD13 ILE 65 HD13 ILE 65 17.746 4.953 7.729 520 H TYR 66 HN TYR 66 17.820 8.667 11.345 521 HA TYR 66 HA TYR 66 19.859 6.809 11.754 522 HB2 TYR 66 HB2 TYR 66 20.184 9.117 10.926 523 HB3 TYR 66 HB1 TYR 66 19.820 9.737 12.530 524 HD1 TYR 66 HD2 TYR 66 21.419 9.466 14.360 525 HD2 TYR 66 HD1 TYR 66 22.330 8.124 10.426 526 HE1 TYR 66 HE2 TYR 66 23.783 9.307 14.976 527 HE2 TYR 66 HE1 TYR 66 24.712 7.961 11.033 528 HH TYR 66 HH TYR 66 26.262 8.917 12.685 529 H GLU 67 HN GLU 67 18.309 8.922 14.190 530 HA GLU 67 HA GLU 67 19.742 7.978 16.411 531 HB2 GLU 67 HB2 GLU 67 17.102 9.392 16.139 532 HB3 GLU 67 HB1 GLU 67 17.735 8.927 17.710 533 HG2 GLU 67 HG2 GLU 67 19.737 10.267 17.301 534 HG3 GLU 67 HG1 GLU 67 19.100 10.733 15.725 535 H TRP 68 HN TRP 68 16.586 6.945 15.118 536 HA TRP 68 HA TRP 68 15.932 5.123 17.179 537 HB2 TRP 68 HB2 TRP 68 14.263 6.017 15.624 538 HB3 TRP 68 HB1 TRP 68 15.040 5.180 14.287 539 HD1 TRP 68 HD1 TRP 68 14.623 2.565 14.053 540 HE1 TRP 68 HE1 TRP 68 12.846 0.996 15.063 541 HE3 TRP 68 HE3 TRP 68 12.855 5.599 17.786 542 HZ2 TRP 68 HZ2 TRP 68 10.960 1.031 17.153 543 HZ3 TRP 68 HZ3 TRP 68 11.068 4.747 19.246 544 HH2 TRP 68 HH2 TRP 68 10.145 2.508 18.933 545 H THR 69 HN THR 69 17.612 4.684 14.098 546 HA THR 69 HA THR 69 17.841 1.858 14.194 547 HB THR 69 HB THR 69 19.703 2.207 12.506 548 HG1 THR 69 HG1 THR 69 18.833 4.910 12.521 549 HG21 THR 69 HG21 THR 69 17.038 3.508 11.932 550 HG22 THR 69 HG22 THR 69 17.401 1.787 11.809 551 HG23 THR 69 HG23 THR 69 18.183 2.932 10.721 552 H LYS 70 HN LYS 70 19.658 4.458 15.536 553 HA LYS 70 HA LYS 70 22.131 3.233 16.048 554 HB2 LYS 70 HB2 LYS 70 21.212 5.719 16.308 555 HB3 LYS 70 HB1 LYS 70 21.035 5.216 17.982 556 HG2 LYS 70 HG2 LYS 70 23.362 4.779 18.180 557 HG3 LYS 70 HG1 LYS 70 23.605 4.989 16.445 558 HD2 LYS 70 HD2 LYS 70 22.806 7.361 16.728 559 HD3 LYS 70 HD1 LYS 70 22.867 7.096 18.471 560 HE2 LYS 70 HE2 LYS 70 25.235 6.659 16.665 561 HE3 LYS 70 HE1 LYS 70 24.886 8.212 17.421 562 HZ1 LYS 70 HZ1 LYS 70 25.368 5.656 18.860 563 HZ2 LYS 70 HZ2 LYS 70 25.032 7.145 19.589 564 HZ3 LYS 70 HZ3 LYS 70 26.468 6.934 18.721 565 H ILE 71 HN ILE 71 19.181 3.394 18.033 566 HA ILE 71 HA ILE 71 20.387 1.845 20.176 567 HB ILE 71 HB ILE 71 17.505 2.738 19.937 568 HG12 ILE 71 HG12 ILE 71 18.779 4.215 21.922 569 HG13 ILE 71 HG11 ILE 71 19.937 4.170 20.598 570 HG21 ILE 71 HG21 ILE 71 19.070 1.774 22.337 571 HG22 ILE 71 HG22 ILE 71 17.782 0.893 21.515 572 HG23 ILE 71 HG23 ILE 71 17.418 2.392 22.367 573 HD11 ILE 71 HD11 ILE 71 18.518 6.120 20.453 574 HD12 ILE 71 HD12 ILE 71 17.087 5.090 20.413 575 HD13 ILE 71 HD13 ILE 71 18.252 5.035 19.090 576 H ASN 72 HN ASN 72 17.781 1.394 17.817 577 HA ASN 72 HA ASN 72 17.125 -1.263 18.588 578 HB2 ASN 72 HB2 ASN 72 16.467 0.442 16.212 579 HB3 ASN 72 HB1 ASN 72 16.010 -1.260 16.243 580 HD21 ASN 72 HD21 ASN 72 15.473 1.880 17.617 581 HD22 ASN 72 HD22 ASN 72 14.039 1.479 18.489 582 H GLY 73 HN GLY 73 19.463 0.027 16.323 583 HA2 GLY 73 HA2 GLY 73 21.397 -1.449 15.901 584 HA3 GLY 73 HA1 GLY 73 20.239 -2.743 15.634 585 H GLY 74 HN GLY 74 22.331 -0.885 14.072 586 HA2 GLY 74 HA2 GLY 74 21.020 -1.258 11.517 587 HA3 GLY 74 HA1 GLY 74 21.282 0.422 11.960 588 H SER 75 HN SER 75 23.688 0.563 13.023 589 HA SER 75 HA SER 75 25.478 -0.423 10.903 590 HB2 SER 75 HB2 SER 75 25.218 2.066 11.156 591 HB3 SER 75 HB1 SER 75 25.935 1.925 12.760 592 HG SER 75 HG SER 75 27.809 1.070 11.754 593 H GLY 76 HN GLY 76 27.423 -1.385 11.409 594 HA2 GLY 76 HA2 GLY 76 27.773 -2.157 14.243 595 HA3 GLY 76 HA1 GLY 76 28.114 -3.233 12.897 596 H GLY 77 HN GLY 77 29.793 -2.399 11.326 597 HA2 GLY 77 HA2 GLY 77 31.826 -0.704 12.593 598 HA3 GLY 77 HA1 GLY 77 32.276 -2.343 12.146 599 H SER 78 HN SER 78 31.694 -2.907 9.800 600 HA SER 78 HA SER 78 32.628 -0.703 8.094 601 HB2 SER 78 HB2 SER 78 34.006 -2.804 8.214 602 HB3 SER 78 HB1 SER 78 32.656 -3.667 7.478 603 HG SER 78 HG SER 78 33.766 -3.104 5.739 604 H GLY 79 HN GLY 79 31.475 -0.008 6.377 605 HA2 GLY 79 HA2 GLY 79 28.762 -1.098 6.069 606 HA3 GLY 79 HA1 GLY 79 29.285 0.505 5.577 607 H GLY 80 HN GLY 80 27.978 -1.892 4.199 608 HA2 GLY 80 HA2 GLY 80 29.508 -1.638 1.729 609 HA3 GLY 80 HA1 GLY 80 29.332 -3.264 2.370 610 H SER 81 HN SER 81 27.710 -4.395 1.575 611 HA SER 81 HA SER 81 25.498 -2.993 0.254 612 HB2 SER 81 HB2 SER 81 25.038 -5.239 -0.778 613 HB3 SER 81 HB1 SER 81 26.618 -4.569 -1.183 614 HG SER 81 HG SER 81 27.048 -5.942 0.962 615 H GLY 82 HN GLY 82 23.405 -3.232 0.845 616 HA2 GLY 82 HA2 GLY 82 21.760 -4.796 1.942 617 HA3 GLY 82 HA1 GLY 82 22.888 -4.812 3.289 618 H GLY 83 HN GLY 83 20.247 -3.244 1.833 619 HA2 GLY 83 HA2 GLY 83 19.147 -1.875 3.775 620 HA3 GLY 83 HA1 GLY 83 20.530 -0.832 3.476 621 H ASP 84 HN ASP 84 17.662 -2.253 1.983 622 HA ASP 84 HA ASP 84 17.702 -0.191 -0.104 623 HB2 ASP 84 HB2 ASP 84 16.168 -2.779 0.156 624 HB3 ASP 84 HB1 ASP 84 15.832 -1.592 -1.099 625 H VAL 85 HN VAL 85 16.050 1.254 -0.393 626 HA VAL 85 HA VAL 85 14.087 1.445 1.802 627 HB VAL 85 HB VAL 85 14.912 3.792 0.087 628 HG11 VAL 85 HG11 VAL 85 12.868 4.057 1.386 629 HG12 VAL 85 HG12 VAL 85 14.140 5.110 2.006 630 HG13 VAL 85 HG13 VAL 85 13.734 3.622 2.861 631 HG21 VAL 85 HG21 VAL 85 16.205 2.951 2.684 632 HG22 VAL 85 HG22 VAL 85 16.485 4.475 1.842 633 HG23 VAL 85 HG23 VAL 85 16.968 2.953 1.094 634 H MET 86 HN MET 86 11.947 1.833 1.326 635 HA MET 86 HA MET 86 11.180 1.666 -1.517 636 HB2 MET 86 HB2 MET 86 9.928 0.370 0.901 637 HB3 MET 86 HB1 MET 86 9.072 0.535 -0.626 638 HG2 MET 86 HG2 MET 86 11.680 -0.921 -0.252 639 HG3 MET 86 HG1 MET 86 10.092 -1.679 -0.330 640 HE1 MET 86 HE1 MET 86 10.954 -3.279 -2.272 641 HE2 MET 86 HE2 MET 86 12.544 -2.520 -2.196 642 HE3 MET 86 HE3 MET 86 11.724 -2.697 -3.748 643 H VAL 87 HN VAL 87 9.377 2.836 -2.201 644 HA VAL 87 HA VAL 87 8.706 5.136 -0.528 645 HB VAL 87 HB VAL 87 7.613 5.088 -3.262 646 HG11 VAL 87 HG11 VAL 87 8.461 7.377 -3.273 647 HG12 VAL 87 HG12 VAL 87 9.271 7.080 -1.735 648 HG13 VAL 87 HG13 VAL 87 7.510 7.040 -1.826 649 HG21 VAL 87 HG21 VAL 87 9.712 3.971 -3.768 650 HG22 VAL 87 HG22 VAL 87 10.609 5.205 -2.884 651 HG23 VAL 87 HG23 VAL 87 9.748 5.630 -4.364 652 H VAL 88 HN VAL 88 6.554 5.799 -0.167 653 HA VAL 88 HA VAL 88 4.675 3.734 0.305 654 HB VAL 88 HB VAL 88 3.930 6.660 0.146 655 HG11 VAL 88 HG11 VAL 88 2.382 6.089 1.963 656 HG12 VAL 88 HG12 VAL 88 2.935 4.416 1.902 657 HG13 VAL 88 HG13 VAL 88 2.087 5.115 0.522 658 HG21 VAL 88 HG21 VAL 88 4.611 6.910 2.490 659 HG22 VAL 88 HG22 VAL 88 5.986 6.548 1.448 660 HG23 VAL 88 HG23 VAL 88 5.292 5.282 2.462 661 H GLY 89 HN GLY 89 3.683 2.635 -1.236 662 HA2 GLY 89 HA2 GLY 89 3.261 3.495 -3.900 663 HA3 GLY 89 HA1 GLY 89 2.573 2.062 -3.159 664 H GLU 90 HN GLU 90 1.446 4.064 -5.036 665 HA GLU 90 HA GLU 90 -0.479 5.680 -3.742 666 HB2 GLU 90 HB2 GLU 90 -0.263 4.620 -6.552 667 HB3 GLU 90 HB1 GLU 90 -1.599 5.640 -6.041 668 HG2 GLU 90 HG2 GLU 90 -0.024 7.412 -5.451 669 HG3 GLU 90 HG1 GLU 90 1.317 6.388 -5.962 670 HA PRO 91 HA PRO 91 -3.198 2.221 -2.461 671 HB2 PRO 91 HB2 PRO 91 -4.914 4.456 -1.551 672 HB3 PRO 91 HB1 PRO 91 -4.319 3.059 -0.649 673 HG2 PRO 91 HG2 PRO 91 -3.313 5.485 -0.217 674 HG3 PRO 91 HG1 PRO 91 -2.267 4.051 -0.212 675 HD2 PRO 91 HD2 PRO 91 -2.650 6.113 -2.356 676 HD3 PRO 91 HD1 PRO 91 -1.156 5.341 -1.783 677 H THR 92 HN THR 92 -5.251 1.428 -3.065 678 HA THR 92 HA THR 92 -6.563 2.899 -5.261 679 HB THR 92 HB THR 92 -7.247 0.604 -6.124 680 HG1 THR 92 HG1 THR 92 -6.643 -0.553 -4.206 681 HG21 THR 92 HG21 THR 92 -5.116 0.232 -7.286 682 HG22 THR 92 HG22 THR 92 -4.307 1.305 -6.143 683 HG23 THR 92 HG23 THR 92 -5.534 1.945 -7.236 684 H LEU 93 HN LEU 93 -8.441 3.650 -4.587 685 HA LEU 93 HA LEU 93 -9.914 2.673 -2.377 686 HB2 LEU 93 HB2 LEU 93 -9.878 5.018 -3.523 687 HB3 LEU 93 HB1 LEU 93 -11.139 4.351 -4.540 688 HG LEU 93 HG LEU 93 -11.493 4.166 -1.582 689 HD11 LEU 93 HD11 LEU 93 -11.866 6.691 -3.187 690 HD12 LEU 93 HD12 LEU 93 -10.746 6.448 -1.846 691 HD13 LEU 93 HD13 LEU 93 -12.486 6.423 -1.557 692 HD21 LEU 93 HD21 LEU 93 -13.372 4.716 -3.880 693 HD22 LEU 93 HD22 LEU 93 -13.837 4.502 -2.193 694 HD23 LEU 93 HD23 LEU 93 -13.132 3.158 -3.089 695 H MET 94 HN MET 94 -11.114 0.936 -2.236 696 HA MET 94 HA MET 94 -12.193 -1.005 -2.772 697 HB2 MET 94 HB2 MET 94 -13.884 1.131 -4.053 698 HB3 MET 94 HB1 MET 94 -14.402 -0.545 -3.968 699 HG2 MET 94 HG2 MET 94 -14.256 -0.471 -1.532 700 HG3 MET 94 HG1 MET 94 -13.729 1.208 -1.614 701 HE1 MET 94 HE1 MET 94 -17.982 -0.392 -2.311 702 HE2 MET 94 HE2 MET 94 -16.671 -1.234 -1.485 703 HE3 MET 94 HE3 MET 94 -16.614 -1.018 -3.235 704 H GLY 95 HN GLY 95 -11.215 -2.487 -3.972 705 HA2 GLY 95 HA2 GLY 95 -11.897 -3.418 -6.359 706 HA3 GLY 95 HA1 GLY 95 -10.855 -2.089 -6.842 707 H GLY 96 HN GLY 96 -9.824 -4.084 -7.854 708 HA2 GLY 96 HA2 GLY 96 -7.539 -4.812 -6.208 709 HA3 GLY 96 HA1 GLY 96 -8.540 -6.148 -6.760 710 H GLU 97 HN GLU 97 -5.733 -5.421 -7.362 711 HA GLU 97 HA GLU 97 -5.848 -4.855 -10.235 712 HB2 GLU 97 HB2 GLU 97 -3.578 -4.908 -8.251 713 HB3 GLU 97 HB1 GLU 97 -3.307 -4.808 -9.985 714 HG2 GLU 97 HG2 GLU 97 -4.577 -2.725 -10.068 715 HG3 GLU 97 HG1 GLU 97 -4.862 -2.829 -8.331 716 H PHE 98 HN PHE 98 -5.296 -6.293 -11.778 717 HA PHE 98 HA PHE 98 -4.914 -9.072 -10.932 718 HB2 PHE 98 HB2 PHE 98 -5.818 -7.862 -13.548 719 HB3 PHE 98 HB1 PHE 98 -5.477 -9.576 -13.351 720 HD1 PHE 98 HD1 PHE 98 -6.945 -10.997 -12.054 721 HD2 PHE 98 HD2 PHE 98 -7.770 -6.851 -12.544 722 HE1 PHE 98 HE1 PHE 98 -9.243 -11.364 -11.254 723 HE2 PHE 98 HE2 PHE 98 -10.069 -7.210 -11.745 724 HZ PHE 98 HZ PHE 98 -10.809 -9.468 -11.099 725 H GLY 99 HN GLY 99 -3.505 -6.626 -13.089 726 HA2 GLY 99 HA2 GLY 99 -0.958 -8.084 -12.984 727 HA3 GLY 99 HA1 GLY 99 -1.625 -7.680 -14.559 728 H ASP 100 HN ASP 100 0.893 -6.846 -13.445 729 HA ASP 100 HA ASP 100 0.589 -3.966 -13.750 730 HB2 ASP 100 HB2 ASP 100 1.964 -5.270 -11.389 731 HB3 ASP 100 HB1 ASP 100 2.250 -3.598 -11.862 732 H GLU 101 HN GLU 101 1.529 -4.064 -15.720 733 HA GLU 101 HA GLU 101 4.041 -5.407 -16.188 734 HB2 GLU 101 HB2 GLU 101 2.253 -3.704 -17.911 735 HB3 GLU 101 HB1 GLU 101 3.816 -4.280 -18.471 736 HG2 GLU 101 HG2 GLU 101 3.088 -6.586 -18.149 737 HG3 GLU 101 HG1 GLU 101 1.524 -6.014 -17.569 738 H ASP 102 HN ASP 102 3.099 -2.268 -15.166 739 HA ASP 102 HA ASP 102 5.486 -0.918 -16.101 740 HB2 ASP 102 HB2 ASP 102 3.166 -0.034 -14.388 741 HB3 ASP 102 HB1 ASP 102 4.548 1.002 -14.731 742 H GLU 103 HN GLU 103 4.501 -2.622 -13.255 743 HA GLU 103 HA GLU 103 6.528 -1.423 -11.551 744 HB2 GLU 103 HB2 GLU 103 4.455 -3.561 -11.111 745 HB3 GLU 103 HB1 GLU 103 5.696 -3.214 -9.916 746 HG2 GLU 103 HG2 GLU 103 4.906 -0.884 -9.810 747 HG3 GLU 103 HG1 GLU 103 3.624 -1.289 -10.951 748 H ARG 104 HN ARG 104 6.010 -4.451 -13.292 749 HA ARG 104 HA ARG 104 8.401 -5.668 -12.210 750 HB2 ARG 104 HB2 ARG 104 7.836 -7.565 -13.740 751 HB3 ARG 104 HB1 ARG 104 6.576 -7.157 -12.590 752 HG2 ARG 104 HG2 ARG 104 5.364 -5.960 -14.370 753 HG3 ARG 104 HG1 ARG 104 6.616 -6.432 -15.519 754 HD2 ARG 104 HD2 ARG 104 5.042 -8.428 -13.907 755 HD3 ARG 104 HD1 ARG 104 4.512 -7.850 -15.485 756 HE ARG 104 HE ARG 104 7.165 -8.780 -15.670 757 HH11 ARG 104 HH11 ARG 104 3.913 -10.047 -15.271 758 HH12 ARG 104 HH12 ARG 104 4.294 -11.570 -16.005 759 HH21 ARG 104 HH21 ARG 104 7.639 -10.779 -16.626 760 HH22 ARG 104 HH22 ARG 104 6.401 -11.982 -16.770 761 H LEU 105 HN LEU 105 7.817 -3.480 -14.676 762 HA LEU 105 HA LEU 105 10.000 -4.400 -16.385 763 HB2 LEU 105 HB2 LEU 105 7.709 -3.421 -17.169 764 HB3 LEU 105 HB1 LEU 105 8.444 -1.870 -16.818 765 HG LEU 105 HG LEU 105 9.946 -3.734 -18.597 766 HD11 LEU 105 HD11 LEU 105 7.680 -3.908 -19.458 767 HD12 LEU 105 HD12 LEU 105 8.688 -2.956 -20.549 768 HD13 LEU 105 HD13 LEU 105 7.538 -2.150 -19.482 769 HD21 LEU 105 HD21 LEU 105 10.564 -1.633 -19.686 770 HD22 LEU 105 HD22 LEU 105 10.904 -1.578 -17.956 771 HD23 LEU 105 HD23 LEU 105 9.488 -0.750 -18.603 772 H ILE 106 HN ILE 106 9.092 -1.560 -14.458 773 HA ILE 106 HA ILE 106 10.185 0.249 -13.677 774 HB ILE 106 HB ILE 106 12.283 -0.182 -12.383 775 HG12 ILE 106 HG12 ILE 106 12.547 -2.808 -11.990 776 HG13 ILE 106 HG11 ILE 106 12.043 -2.868 -13.675 777 HG21 ILE 106 HG21 ILE 106 9.934 -1.993 -11.882 778 HG22 ILE 106 HG22 ILE 106 10.111 -0.318 -11.360 779 HG23 ILE 106 HG23 ILE 106 11.165 -1.566 -10.695 780 HD11 ILE 106 HD11 ILE 106 14.414 -1.362 -12.590 781 HD12 ILE 106 HD12 ILE 106 13.910 -1.415 -14.279 782 HD13 ILE 106 HD13 ILE 106 14.460 -2.886 -13.476 783 H THR 107 HN THR 107 12.220 1.616 -13.591 784 HA THR 107 HA THR 107 13.844 1.434 -16.020 785 HB THR 107 HB THR 107 13.503 3.935 -16.375 786 HG1 THR 107 HG1 THR 107 10.980 3.675 -15.204 787 HG21 THR 107 HG21 THR 107 11.157 2.096 -16.868 788 HG22 THR 107 HG22 THR 107 12.572 2.277 -17.906 789 HG23 THR 107 HG23 THR 107 11.454 3.624 -17.696 790 H ARG 108 HN ARG 108 15.904 1.750 -15.542 791 HA ARG 108 HA ARG 108 16.599 3.108 -13.031 792 HB2 ARG 108 HB2 ARG 108 18.060 1.085 -14.720 793 HB3 ARG 108 HB1 ARG 108 18.871 2.003 -13.459 794 HG2 ARG 108 HG2 ARG 108 17.325 1.086 -11.799 795 HG3 ARG 108 HG1 ARG 108 16.522 0.158 -13.067 796 HD2 ARG 108 HD2 ARG 108 18.602 -1.039 -13.515 797 HD3 ARG 108 HD1 ARG 108 19.420 -0.098 -12.267 798 HE ARG 108 HE ARG 108 17.160 -1.392 -11.174 799 HH11 ARG 108 HH11 ARG 108 20.404 -2.132 -12.302 800 HH12 ARG 108 HH12 ARG 108 20.570 -3.514 -11.273 801 HH21 ARG 108 HH21 ARG 108 17.400 -3.206 -9.837 802 HH22 ARG 108 HH22 ARG 108 18.870 -4.122 -9.879 803 H LEU 109 HN LEU 109 18.173 4.701 -12.948 804 HA LEU 109 HA LEU 109 18.629 6.113 -15.479 805 HB2 LEU 109 HB2 LEU 109 18.782 7.034 -12.607 806 HB3 LEU 109 HB1 LEU 109 19.258 8.030 -13.967 807 HG LEU 109 HG LEU 109 16.793 7.502 -14.784 808 HD11 LEU 109 HD11 LEU 109 16.258 5.984 -12.949 809 HD12 LEU 109 HD12 LEU 109 15.225 7.413 -12.916 810 HD13 LEU 109 HD13 LEU 109 16.570 7.273 -11.785 811 HD21 LEU 109 HD21 LEU 109 17.664 9.722 -14.407 812 HD22 LEU 109 HD22 LEU 109 17.513 9.518 -12.662 813 HD23 LEU 109 HD23 LEU 109 16.068 9.579 -13.671 814 H GLU 110 HN GLU 110 20.700 7.038 -15.941 815 HA GLU 110 HA GLU 110 22.903 5.339 -15.054 816 HB2 GLU 110 HB2 GLU 110 22.595 7.280 -17.341 817 HB3 GLU 110 HB1 GLU 110 24.144 6.561 -16.921 818 HG2 GLU 110 HG2 GLU 110 23.228 4.336 -17.312 819 HG3 GLU 110 HG1 GLU 110 21.664 5.045 -17.711 820 H ASN 111 HN ASN 111 24.495 5.983 -13.763 821 HA ASN 111 HA ASN 111 24.483 8.755 -12.816 822 HB2 ASN 111 HB2 ASN 111 25.914 7.853 -10.942 823 HB3 ASN 111 HB1 ASN 111 24.282 7.206 -11.010 824 HD21 ASN 111 HD21 ASN 111 27.659 6.526 -11.445 825 HD22 ASN 111 HD22 ASN 111 27.519 4.805 -11.488 826 H THR 112 HN THR 112 26.432 9.937 -12.548 827 HA THR 112 HA THR 112 28.429 9.318 -14.601 828 HB THR 112 HB THR 112 29.213 11.694 -14.126 829 HG1 THR 112 HG1 THR 112 27.017 11.500 -12.408 830 HG21 THR 112 HG21 THR 112 27.409 12.716 -15.439 831 HG22 THR 112 HG22 THR 112 26.392 11.308 -15.135 832 HG23 THR 112 HG23 THR 112 27.867 11.141 -16.088 833 H GLN 113 HN GLN 113 30.628 9.262 -14.193 834 HA GLN 113 HA GLN 113 31.448 9.178 -11.365 835 HB2 GLN 113 HB2 GLN 113 32.118 7.233 -13.570 836 HB3 GLN 113 HB1 GLN 113 33.082 7.358 -12.106 837 HG2 GLN 113 HG2 GLN 113 31.126 6.786 -10.763 838 HG3 GLN 113 HG1 GLN 113 30.152 6.672 -12.228 839 HE21 GLN 113 HE21 GLN 113 30.457 4.937 -13.626 840 HE22 GLN 113 HE22 GLN 113 31.296 3.506 -13.145 841 H PHE 114 HN PHE 114 33.462 9.967 -10.869 842 HA PHE 114 HA PHE 114 34.753 11.556 -12.973 843 HB2 PHE 114 HB2 PHE 114 34.829 11.759 -9.958 844 HB3 PHE 114 HB1 PHE 114 35.874 12.704 -11.012 845 HD1 PHE 114 HD2 PHE 114 32.460 12.216 -9.809 846 HD2 PHE 114 HD1 PHE 114 34.981 14.504 -12.361 847 HE1 PHE 114 HE2 PHE 114 30.694 13.916 -10.022 848 HE2 PHE 114 HE1 PHE 114 33.220 16.210 -12.578 849 HZ PHE 114 HZ PHE 114 31.074 15.916 -11.408 850 H ASP 115 HN ASP 115 36.960 11.473 -13.341 851 HA ASP 115 HA ASP 115 38.430 9.261 -12.070 852 HB2 ASP 115 HB2 ASP 115 38.294 9.949 -15.007 853 HB3 ASP 115 HB1 ASP 115 39.550 8.920 -14.324 854 H ALA 116 HN ALA 116 38.650 12.330 -13.830 855 HA ALA 116 HA ALA 116 41.413 12.693 -12.920 856 HB1 ALA 116 HB1 ALA 116 41.513 14.538 -14.507 857 HB2 ALA 116 HB2 ALA 116 39.802 14.326 -14.878 858 HB3 ALA 116 HB3 ALA 116 40.958 13.062 -15.297 859 H ALA 117 HN ALA 117 42.042 14.308 -11.570 860 HA ALA 117 HA ALA 117 39.914 15.709 -10.122 861 HB1 ALA 117 HB1 ALA 117 41.553 16.030 -8.352 862 HB2 ALA 117 HB2 ALA 117 42.804 15.301 -9.359 863 HB3 ALA 117 HB3 ALA 117 41.445 14.327 -8.799 864 H ASN 118 HN ASN 118 42.987 16.299 -11.790 865 HA ASN 118 HA ASN 118 43.951 18.121 -12.728 866 HB2 ASN 118 HB2 ASN 118 41.122 19.187 -12.656 867 HB3 ASN 118 HB1 ASN 118 42.461 20.043 -13.415 868 HD21 ASN 118 HD21 ASN 118 43.368 19.225 -15.301 869 HD22 ASN 118 HD22 ASN 118 42.570 18.032 -16.262 870 H GLY 119 HN GLY 119 45.319 19.495 -11.854 871 HA2 GLY 119 HA2 GLY 119 45.393 21.718 -10.629 872 HA3 GLY 119 HA1 GLY 119 44.541 20.861 -9.354 873 H ILE 120 HN ILE 120 46.238 21.381 -7.911 874 HA ILE 120 HA ILE 120 48.663 19.753 -8.294 875 HB ILE 120 HB ILE 120 49.774 21.411 -6.677 876 HG12 ILE 120 HG12 ILE 120 48.737 23.812 -7.258 877 HG13 ILE 120 HG11 ILE 120 47.247 22.876 -7.307 878 HG21 ILE 120 HG21 ILE 120 50.397 21.199 -8.999 879 HG22 ILE 120 HG22 ILE 120 50.416 22.896 -8.519 880 HG23 ILE 120 HG23 ILE 120 49.076 22.266 -9.477 881 HD11 ILE 120 HD11 ILE 120 47.592 23.877 -5.125 882 HD12 ILE 120 HD12 ILE 120 49.143 23.052 -4.977 883 HD13 ILE 120 HD13 ILE 120 47.649 22.117 -5.024 884 H ASP 121 HN ASP 121 49.528 18.674 -6.515 885 HA ASP 121 HA ASP 121 47.592 18.150 -4.372 886 HB2 ASP 121 HB2 ASP 121 49.936 16.558 -5.418 887 HB3 ASP 121 HB1 ASP 121 49.065 16.124 -3.951 888 H ASP 122 HN ASP 122 47.973 18.678 -2.320 889 HA ASP 122 HA ASP 122 50.695 19.462 -1.531 890 HB2 ASP 122 HB2 ASP 122 49.664 21.278 -0.113 891 HB3 ASP 122 HB1 ASP 122 49.578 21.549 -1.847 892 H GLU 123 HN GLU 123 51.418 18.513 0.241 893 HA GLU 123 HA GLU 123 49.489 17.387 2.159 894 HB2 GLU 123 HB2 GLU 123 51.925 16.059 0.976 895 HB3 GLU 123 HB1 GLU 123 51.195 15.508 2.476 896 HG2 GLU 123 HG2 GLU 123 49.094 15.092 1.302 897 HG3 GLU 123 HG1 GLU 123 49.827 15.645 -0.202 Start of MODEL 5 1 H TYR 1 HT1 TYR 1 -23.758 -10.623 11.474 2 HA TYR 1 HA TYR 1 -22.215 -12.141 10.423 3 HB2 TYR 1 HB2 TYR 1 -25.103 -12.346 9.552 4 HB3 TYR 1 HB1 TYR 1 -23.942 -13.657 9.370 5 HD1 TYR 1 HD2 TYR 1 -25.942 -11.716 11.745 6 HD2 TYR 1 HD1 TYR 1 -23.144 -14.891 11.307 7 HE1 TYR 1 HE2 TYR 1 -26.440 -12.462 14.035 8 HE2 TYR 1 HE1 TYR 1 -23.635 -15.647 13.595 9 HH TYR 1 HH TYR 1 -26.294 -14.520 15.373 10 H LEU 2 HN LEU 2 -21.174 -12.902 8.637 11 HA LEU 2 HA LEU 2 -21.808 -11.646 6.051 12 HB2 LEU 2 HB2 LEU 2 -19.077 -12.013 7.290 13 HB3 LEU 2 HB1 LEU 2 -19.332 -11.587 5.611 14 HG LEU 2 HG LEU 2 -20.696 -9.580 6.665 15 HD11 LEU 2 HD11 LEU 2 -18.731 -10.260 8.850 16 HD12 LEU 2 HD12 LEU 2 -20.489 -10.329 8.978 17 HD13 LEU 2 HD13 LEU 2 -19.683 -8.780 8.738 18 HD21 LEU 2 HD21 LEU 2 -17.685 -9.702 6.575 19 HD22 LEU 2 HD22 LEU 2 -18.654 -8.229 6.578 20 HD23 LEU 2 HD23 LEU 2 -18.756 -9.348 5.220 21 H ARG 3 HN ARG 3 -22.640 -13.290 4.937 22 HA ARG 3 HA ARG 3 -21.940 -16.014 5.227 23 HB2 ARG 3 HB2 ARG 3 -23.471 -14.560 3.076 24 HB3 ARG 3 HB1 ARG 3 -23.255 -16.303 3.084 25 HG2 ARG 3 HG2 ARG 3 -24.400 -16.440 5.238 26 HG3 ARG 3 HG1 ARG 3 -24.616 -14.689 5.231 27 HD2 ARG 3 HD2 ARG 3 -25.942 -14.863 3.181 28 HD3 ARG 3 HD1 ARG 3 -25.721 -16.612 3.185 29 HE ARG 3 HE ARG 3 -26.844 -15.828 5.636 30 HH11 ARG 3 HH11 ARG 3 -27.766 -16.071 2.256 31 HH12 ARG 3 HH12 ARG 3 -29.444 -16.307 2.612 32 HH21 ARG 3 HH21 ARG 3 -29.044 -16.139 6.078 33 HH22 ARG 3 HH22 ARG 3 -30.166 -16.344 4.775 34 H LEU 4 HN LEU 4 -21.088 -13.653 2.700 35 HA LEU 4 HA LEU 4 -18.817 -15.372 1.953 36 HB2 LEU 4 HB2 LEU 4 -20.684 -13.966 0.042 37 HB3 LEU 4 HB1 LEU 4 -19.167 -14.708 -0.426 38 HG LEU 4 HG LEU 4 -20.348 -16.819 0.767 39 HD11 LEU 4 HD11 LEU 4 -22.668 -16.915 0.331 40 HD12 LEU 4 HD12 LEU 4 -22.635 -15.404 -0.576 41 HD13 LEU 4 HD13 LEU 4 -22.388 -15.389 1.169 42 HD21 LEU 4 HD21 LEU 4 -20.950 -17.565 -1.492 43 HD22 LEU 4 HD22 LEU 4 -19.359 -16.806 -1.453 44 HD23 LEU 4 HD23 LEU 4 -20.746 -15.917 -2.083 45 H PHE 5 HN PHE 5 -19.952 -12.286 2.782 46 HA PHE 5 HA PHE 5 -17.836 -10.783 1.499 47 HB2 PHE 5 HB2 PHE 5 -20.047 -10.021 3.406 48 HB3 PHE 5 HB1 PHE 5 -18.822 -8.875 2.873 49 HD1 PHE 5 HD1 PHE 5 -21.746 -10.832 1.890 50 HD2 PHE 5 HD2 PHE 5 -18.788 -8.058 0.595 51 HE1 PHE 5 HE1 PHE 5 -23.081 -10.355 -0.121 52 HE2 PHE 5 HE2 PHE 5 -20.119 -7.576 -1.418 53 HZ PHE 5 HZ PHE 5 -22.268 -8.724 -1.778 54 H GLY 6 HN GLY 6 -16.257 -9.527 2.630 55 HA2 GLY 6 HA2 GLY 6 -15.226 -8.966 4.801 56 HA3 GLY 6 HA1 GLY 6 -15.529 -10.631 5.275 57 H GLN 7 HN GLN 7 -13.044 -8.896 4.941 58 HA GLN 7 HA GLN 7 -11.556 -10.519 3.005 59 HB2 GLN 7 HB2 GLN 7 -11.173 -7.821 4.193 60 HB3 GLN 7 HB1 GLN 7 -9.725 -8.731 3.767 61 HG2 GLN 7 HG2 GLN 7 -10.578 -8.967 1.474 62 HG3 GLN 7 HG1 GLN 7 -11.992 -8.013 1.914 63 HE21 GLN 7 HE21 GLN 7 -11.783 -5.806 2.227 64 HE22 GLN 7 HE22 GLN 7 -10.383 -4.926 1.726 65 H ASP 8 HN ASP 8 -9.493 -11.369 3.545 66 HA ASP 8 HA ASP 8 -9.325 -12.303 6.324 67 HB2 ASP 8 HB2 ASP 8 -8.224 -13.384 3.734 68 HB3 ASP 8 HB1 ASP 8 -7.753 -14.020 5.306 69 H GLY 9 HN GLY 9 -7.921 -10.077 4.232 70 HA2 GLY 9 HA2 GLY 9 -5.181 -10.281 5.046 71 HA3 GLY 9 HA1 GLY 9 -5.904 -8.968 4.137 72 H LEU 10 HN LEU 10 -5.840 -10.331 7.419 73 HA LEU 10 HA LEU 10 -6.683 -8.106 8.866 74 HB2 LEU 10 HB2 LEU 10 -4.987 -10.484 9.502 75 HB3 LEU 10 HB1 LEU 10 -5.040 -9.179 10.664 76 HG LEU 10 HG LEU 10 -6.578 -11.130 11.102 77 HD11 LEU 10 HD11 LEU 10 -6.921 -9.104 12.287 78 HD12 LEU 10 HD12 LEU 10 -8.497 -9.697 11.765 79 HD13 LEU 10 HD13 LEU 10 -7.729 -8.363 10.908 80 HD21 LEU 10 HD21 LEU 10 -8.149 -9.970 8.803 81 HD22 LEU 10 HD22 LEU 10 -8.723 -11.203 9.927 82 HD23 LEU 10 HD23 LEU 10 -7.374 -11.555 8.846 83 H CYS 11 HN CYS 11 -5.439 -6.610 10.229 84 HA CYS 11 HA CYS 11 -3.319 -5.363 8.742 85 HB2 CYS 11 HB2 CYS 11 -5.024 -4.051 9.943 86 HB3 CYS 11 HB1 CYS 11 -4.419 -4.678 11.471 87 H ALA 12 HN ALA 12 -1.220 -5.335 9.099 88 HA ALA 12 HA ALA 12 0.030 -7.384 10.588 89 HB1 ALA 12 HB1 ALA 12 1.482 -4.962 9.607 90 HB2 ALA 12 HB2 ALA 12 0.834 -6.159 8.487 91 HB3 ALA 12 HB3 ALA 12 2.035 -6.635 9.690 92 H SER 13 HN SER 13 -0.563 -3.991 11.337 93 HA SER 13 HA SER 13 1.061 -4.147 13.754 94 HB2 SER 13 HB2 SER 13 -0.294 -1.887 12.308 95 HB3 SER 13 HB1 SER 13 0.286 -1.684 13.960 96 HG SER 13 HG SER 13 2.180 -2.856 12.467 97 H CYS 14 HN CYS 14 -2.340 -3.418 12.894 98 HA CYS 14 HA CYS 14 -3.060 -3.942 15.696 99 HB2 CYS 14 HB2 CYS 14 -4.900 -2.516 15.490 100 HB3 CYS 14 HB1 CYS 14 -3.661 -1.705 14.545 101 H ASP 15 HN ASP 15 -5.052 -5.140 16.117 102 HA ASP 15 HA ASP 15 -5.306 -7.402 14.285 103 HB2 ASP 15 HB2 ASP 15 -4.968 -7.526 16.874 104 HB3 ASP 15 HB1 ASP 15 -6.694 -7.190 16.951 105 H LYS 16 HN LYS 16 -6.346 -5.338 13.049 106 HA LYS 16 HA LYS 16 -9.268 -5.608 13.328 107 HB2 LYS 16 HB2 LYS 16 -8.256 -3.329 13.879 108 HB3 LYS 16 HB1 LYS 16 -7.851 -3.199 12.187 109 HG2 LYS 16 HG2 LYS 16 -10.181 -3.270 11.570 110 HG3 LYS 16 HG1 LYS 16 -10.641 -3.557 13.247 111 HD2 LYS 16 HD2 LYS 16 -9.726 -1.370 13.871 112 HD3 LYS 16 HD1 LYS 16 -9.268 -1.086 12.191 113 HE2 LYS 16 HE2 LYS 16 -11.296 0.076 12.508 114 HE3 LYS 16 HE1 LYS 16 -11.714 -1.385 11.613 115 HZ1 LYS 16 HZ1 LYS 16 -13.282 -0.957 13.401 116 HZ2 LYS 16 HZ2 LYS 16 -12.035 -1.007 14.543 117 HZ3 LYS 16 HZ3 LYS 16 -12.444 -2.401 13.679 118 H ARG 17 HN ARG 17 -10.347 -6.310 11.597 119 HA ARG 17 HA ARG 17 -9.028 -7.395 9.355 120 HB2 ARG 17 HB2 ARG 17 -11.968 -6.806 9.739 121 HB3 ARG 17 HB1 ARG 17 -11.295 -7.823 8.474 122 HG2 ARG 17 HG2 ARG 17 -10.304 -9.199 10.411 123 HG3 ARG 17 HG1 ARG 17 -11.473 -8.345 11.415 124 HD2 ARG 17 HD2 ARG 17 -13.287 -9.133 9.979 125 HD3 ARG 17 HD1 ARG 17 -12.121 -9.983 8.966 126 HE ARG 17 HE ARG 17 -11.899 -10.804 11.673 127 HH11 ARG 17 HH11 ARG 17 -13.930 -11.242 8.841 128 HH12 ARG 17 HH12 ARG 17 -14.481 -12.808 9.337 129 HH21 ARG 17 HH21 ARG 17 -12.634 -12.855 12.301 130 HH22 ARG 17 HH22 ARG 17 -13.748 -13.719 11.295 131 H ILE 18 HN ILE 18 -8.528 -6.624 7.420 132 HA ILE 18 HA ILE 18 -8.945 -3.836 6.817 133 HB ILE 18 HB ILE 18 -7.368 -6.085 5.614 134 HG12 ILE 18 HG12 ILE 18 -6.627 -3.243 6.344 135 HG13 ILE 18 HG11 ILE 18 -6.504 -4.609 7.444 136 HG21 ILE 18 HG21 ILE 18 -7.031 -5.204 3.549 137 HG22 ILE 18 HG22 ILE 18 -7.257 -3.541 4.097 138 HG23 ILE 18 HG23 ILE 18 -8.659 -4.575 3.814 139 HD11 ILE 18 HD11 ILE 18 -4.955 -4.270 4.883 140 HD12 ILE 18 HD12 ILE 18 -4.844 -5.647 5.981 141 HD13 ILE 18 HD13 ILE 18 -4.338 -4.045 6.520 142 H ARG 19 HN ARG 19 -11.015 -3.376 6.343 143 HA ARG 19 HA ARG 19 -12.182 -4.511 3.923 144 HB2 ARG 19 HB2 ARG 19 -12.912 -5.716 6.200 145 HB3 ARG 19 HB1 ARG 19 -14.037 -4.370 6.256 146 HG2 ARG 19 HG2 ARG 19 -13.902 -5.880 3.709 147 HG3 ARG 19 HG1 ARG 19 -14.615 -6.705 5.095 148 HD2 ARG 19 HD2 ARG 19 -16.174 -4.847 5.401 149 HD3 ARG 19 HD1 ARG 19 -15.456 -4.014 4.022 150 HE ARG 19 HE ARG 19 -16.307 -6.572 3.221 151 HH11 ARG 19 HH11 ARG 19 -17.684 -3.477 4.151 152 HH12 ARG 19 HH12 ARG 19 -19.125 -3.708 3.216 153 HH21 ARG 19 HH21 ARG 19 -18.200 -6.854 2.007 154 HH22 ARG 19 HH22 ARG 19 -19.416 -5.619 2.005 155 H ALA 20 HN ALA 20 -14.035 -3.341 3.125 156 HA ALA 20 HA ALA 20 -15.090 -1.493 2.394 157 HB1 ALA 20 HB1 ALA 20 -15.147 -0.681 5.294 158 HB2 ALA 20 HB2 ALA 20 -16.267 -1.805 4.525 159 HB3 ALA 20 HB3 ALA 20 -16.224 -0.118 4.017 160 H TYR 21 HN TYR 21 -13.290 0.145 5.025 161 HA TYR 21 HA TYR 21 -12.656 2.362 3.339 162 HB2 TYR 21 HB2 TYR 21 -12.997 2.230 5.942 163 HB3 TYR 21 HB1 TYR 21 -11.276 1.872 5.957 164 HD1 TYR 21 HD1 TYR 21 -13.779 4.414 4.925 165 HD2 TYR 21 HD2 TYR 21 -9.681 3.600 5.740 166 HE1 TYR 21 HE1 TYR 21 -13.288 6.822 4.837 167 HE2 TYR 21 HE2 TYR 21 -9.181 6.007 5.654 168 HH TYR 21 HH TYR 21 -10.129 8.051 4.675 169 H GLU 22 HN GLU 22 -10.562 0.007 5.016 170 HA GLU 22 HA GLU 22 -8.320 -0.409 4.786 171 HB2 GLU 22 HB2 GLU 22 -7.939 -1.751 2.644 172 HB3 GLU 22 HB1 GLU 22 -9.178 -2.299 3.757 173 HG2 GLU 22 HG2 GLU 22 -10.575 -2.391 2.032 174 HG3 GLU 22 HG1 GLU 22 -10.509 -0.632 1.951 175 H MET 23 HN MET 23 -8.606 0.322 1.318 176 HA MET 23 HA MET 23 -7.217 1.467 -0.086 177 HB2 MET 23 HB2 MET 23 -7.836 3.551 1.992 178 HB3 MET 23 HB1 MET 23 -7.002 3.926 0.495 179 HG2 MET 23 HG2 MET 23 -8.932 3.147 -0.781 180 HG3 MET 23 HG1 MET 23 -9.771 2.763 0.721 181 HE1 MET 23 HE1 MET 23 -11.026 4.605 -1.564 182 HE2 MET 23 HE2 MET 23 -11.731 5.894 -0.587 183 HE3 MET 23 HE3 MET 23 -11.852 4.217 -0.055 184 H THR 24 HN THR 24 -5.433 0.088 0.399 185 HA THR 24 HA THR 24 -3.146 1.573 1.468 186 HB THR 24 HB THR 24 -2.313 -0.566 2.556 187 HG1 THR 24 HG1 THR 24 -4.206 -1.927 3.218 188 HG21 THR 24 HG21 THR 24 -4.828 0.450 3.855 189 HG22 THR 24 HG22 THR 24 -3.372 1.439 3.740 190 HG23 THR 24 HG23 THR 24 -3.331 -0.089 4.614 191 H MET 25 HN MET 25 -1.065 0.641 0.875 192 HA MET 25 HA MET 25 -1.155 -0.568 -1.789 193 HB2 MET 25 HB2 MET 25 1.190 0.204 -2.007 194 HB3 MET 25 HB1 MET 25 0.084 1.520 -1.660 195 HG2 MET 25 HG2 MET 25 1.781 0.182 0.437 196 HG3 MET 25 HG1 MET 25 2.291 1.604 -0.470 197 HE1 MET 25 HE1 MET 25 1.746 1.183 2.950 198 HE2 MET 25 HE2 MET 25 1.488 2.916 3.155 199 HE3 MET 25 HE3 MET 25 2.746 2.333 2.064 200 H ARG 26 HN ARG 26 0.744 -2.096 -2.295 201 HA ARG 26 HA ARG 26 0.731 -4.203 -0.291 202 HB2 ARG 26 HB2 ARG 26 1.643 -4.094 -3.163 203 HB3 ARG 26 HB1 ARG 26 1.957 -5.486 -2.135 204 HG2 ARG 26 HG2 ARG 26 -0.478 -5.723 -1.776 205 HG3 ARG 26 HG1 ARG 26 -0.743 -4.388 -2.898 206 HD2 ARG 26 HD2 ARG 26 -1.047 -6.345 -4.169 207 HD3 ARG 26 HD1 ARG 26 0.555 -5.749 -4.600 208 HE ARG 26 HE ARG 26 0.953 -7.541 -2.546 209 HH11 ARG 26 HH11 ARG 26 -0.419 -7.715 -5.774 210 HH12 ARG 26 HH12 ARG 26 0.017 -9.377 -5.994 211 HH21 ARG 26 HH21 ARG 26 1.515 -9.715 -2.856 212 HH22 ARG 26 HH22 ARG 26 1.111 -10.507 -4.342 213 H VAL 27 HN VAL 27 2.267 -4.423 1.164 214 HA VAL 27 HA VAL 27 4.841 -3.084 0.794 215 HB VAL 27 HB VAL 27 4.072 -4.507 3.351 216 HG11 VAL 27 HG11 VAL 27 6.274 -3.683 3.436 217 HG12 VAL 27 HG12 VAL 27 5.311 -2.493 4.308 218 HG13 VAL 27 HG13 VAL 27 5.829 -2.165 2.656 219 HG21 VAL 27 HG21 VAL 27 2.119 -3.171 2.849 220 HG22 VAL 27 HG22 VAL 27 3.126 -1.763 2.520 221 HG23 VAL 27 HG23 VAL 27 3.028 -2.412 4.154 222 H LYS 28 HN LYS 28 6.685 -4.504 2.071 223 HA LYS 28 HA LYS 28 7.564 -6.427 0.327 224 HB2 LYS 28 HB2 LYS 28 8.247 -5.927 3.210 225 HB3 LYS 28 HB1 LYS 28 9.055 -7.180 2.278 226 HG2 LYS 28 HG2 LYS 28 9.815 -5.503 0.674 227 HG3 LYS 28 HG1 LYS 28 8.998 -4.244 1.602 228 HD2 LYS 28 HD2 LYS 28 10.421 -4.744 3.531 229 HD3 LYS 28 HD1 LYS 28 11.235 -6.007 2.603 230 HE2 LYS 28 HE2 LYS 28 12.002 -4.326 0.997 231 HE3 LYS 28 HE1 LYS 28 11.192 -3.066 1.928 232 HZ1 LYS 28 HZ1 LYS 28 13.410 -4.783 2.910 233 HZ2 LYS 28 HZ2 LYS 28 12.638 -3.567 3.797 234 HZ3 LYS 28 HZ3 LYS 28 13.552 -3.166 2.432 235 H ASP 29 HN ASP 29 6.459 -7.350 3.639 236 HA ASP 29 HA ASP 29 5.535 -9.890 2.461 237 HB2 ASP 29 HB2 ASP 29 7.619 -9.836 4.052 238 HB3 ASP 29 HB1 ASP 29 6.407 -9.712 5.323 239 H LYS 30 HN LYS 30 4.975 -7.529 5.059 240 HA LYS 30 HA LYS 30 2.243 -8.585 5.369 241 HB2 LYS 30 HB2 LYS 30 3.863 -6.952 7.330 242 HB3 LYS 30 HB1 LYS 30 2.268 -7.623 7.609 243 HG2 LYS 30 HG2 LYS 30 3.083 -9.833 7.660 244 HG3 LYS 30 HG1 LYS 30 4.642 -9.350 6.991 245 HD2 LYS 30 HD2 LYS 30 4.836 -7.897 9.129 246 HD3 LYS 30 HD1 LYS 30 3.564 -8.946 9.757 247 HE2 LYS 30 HE2 LYS 30 4.956 -10.903 9.304 248 HE3 LYS 30 HE1 LYS 30 6.223 -9.856 8.663 249 HZ1 LYS 30 HZ1 LYS 30 5.209 -9.837 11.457 250 HZ2 LYS 30 HZ2 LYS 30 6.419 -8.826 10.844 251 HZ3 LYS 30 HZ3 LYS 30 6.681 -10.494 10.944 252 H VAL 31 HN VAL 31 0.502 -7.129 5.583 253 HA VAL 31 HA VAL 31 0.975 -4.502 4.338 254 HB VAL 31 HB VAL 31 -1.729 -5.836 4.546 255 HG11 VAL 31 HG11 VAL 31 -1.752 -3.457 4.023 256 HG12 VAL 31 HG12 VAL 31 -2.282 -4.403 2.632 257 HG13 VAL 31 HG13 VAL 31 -0.653 -3.729 2.671 258 HG21 VAL 31 HG21 VAL 31 0.232 -6.110 2.268 259 HG22 VAL 31 HG22 VAL 31 -1.445 -6.656 2.250 260 HG23 VAL 31 HG23 VAL 31 -0.287 -7.398 3.355 261 H TYR 32 HN TYR 32 0.057 -2.638 5.221 262 HA TYR 32 HA TYR 32 -1.024 -2.867 7.960 263 HB2 TYR 32 HB2 TYR 32 0.952 -0.793 6.971 264 HB3 TYR 32 HB1 TYR 32 0.245 -0.849 8.578 265 HD1 TYR 32 HD2 TYR 32 2.397 -2.810 6.253 266 HD2 TYR 32 HD1 TYR 32 1.339 -1.994 10.288 267 HE1 TYR 32 HE2 TYR 32 4.285 -4.183 7.007 268 HE2 TYR 32 HE1 TYR 32 3.224 -3.360 11.065 269 HH TYR 32 HH TYR 32 5.715 -4.406 9.005 270 H HIS 33 HN HIS 33 -2.514 -1.248 8.598 271 HA HIS 33 HA HIS 33 -4.210 -0.173 6.593 272 HB2 HIS 33 HB2 HIS 33 -3.986 0.195 9.566 273 HB3 HIS 33 HB1 HIS 33 -5.047 1.243 8.640 274 HD2 HIS 33 HD2 HIS 33 -6.887 -0.603 6.952 275 HE1 HIS 33 HE1 HIS 33 -7.231 -3.116 10.359 276 HE2 HIS 33 HE2 HIS 33 -8.250 -2.446 8.154 277 H LEU 34 HN LEU 34 -4.683 2.158 6.217 278 HA LEU 34 HA LEU 34 -2.337 3.668 5.726 279 HB2 LEU 34 HB2 LEU 34 -3.866 5.521 5.112 280 HB3 LEU 34 HB1 LEU 34 -4.224 4.014 4.300 281 HG LEU 34 HG LEU 34 -5.939 3.861 6.407 282 HD11 LEU 34 HD11 LEU 34 -6.994 6.027 6.701 283 HD12 LEU 34 HD12 LEU 34 -5.794 6.775 5.647 284 HD13 LEU 34 HD13 LEU 34 -5.302 6.096 7.198 285 HD21 LEU 34 HD21 LEU 34 -6.463 5.242 3.777 286 HD22 LEU 34 HD22 LEU 34 -7.670 4.499 4.825 287 HD23 LEU 34 HD23 LEU 34 -6.455 3.498 4.035 288 H GLU 35 HN GLU 35 -4.854 3.947 8.214 289 HA GLU 35 HA GLU 35 -3.767 6.174 9.586 290 HB2 GLU 35 HB2 GLU 35 -5.649 3.981 10.457 291 HB3 GLU 35 HB1 GLU 35 -5.180 5.301 11.518 292 HG2 GLU 35 HG2 GLU 35 -6.073 6.886 9.802 293 HG3 GLU 35 HG1 GLU 35 -6.697 5.487 8.930 294 H CYS 36 HN CYS 36 -3.185 2.724 9.789 295 HA CYS 36 HA CYS 36 -1.600 2.862 12.202 296 HB2 CYS 36 HB2 CYS 36 -1.868 0.544 10.279 297 HB3 CYS 36 HB1 CYS 36 -1.342 0.480 11.957 298 H PHE 37 HN PHE 37 -0.971 3.786 9.118 299 HA PHE 37 HA PHE 37 1.772 2.812 8.958 300 HB2 PHE 37 HB2 PHE 37 0.130 2.981 6.976 301 HB3 PHE 37 HB1 PHE 37 0.420 4.714 7.035 302 HD1 PHE 37 HD2 PHE 37 2.140 1.445 6.627 303 HD2 PHE 37 HD1 PHE 37 2.255 5.646 5.938 304 HE1 PHE 37 HE2 PHE 37 4.125 1.153 5.205 305 HE2 PHE 37 HE1 PHE 37 4.240 5.360 4.519 306 HZ PHE 37 HZ PHE 37 5.179 3.113 4.149 307 H LYS 38 HN LYS 38 2.010 4.041 11.094 308 HA LYS 38 HA LYS 38 2.888 6.799 10.552 309 HB2 LYS 38 HB2 LYS 38 2.402 7.285 12.976 310 HB3 LYS 38 HB1 LYS 38 0.991 6.995 11.974 311 HG2 LYS 38 HG2 LYS 38 0.815 4.723 12.878 312 HG3 LYS 38 HG1 LYS 38 2.238 5.015 13.879 313 HD2 LYS 38 HD2 LYS 38 1.057 6.830 15.025 314 HD3 LYS 38 HD1 LYS 38 -0.364 6.540 14.021 315 HE2 LYS 38 HE2 LYS 38 -0.792 5.451 16.070 316 HE3 LYS 38 HE1 LYS 38 -0.360 4.178 14.930 317 HZ1 LYS 38 HZ1 LYS 38 1.876 4.163 15.854 318 HZ2 LYS 38 HZ2 LYS 38 0.731 3.865 17.062 319 HZ3 LYS 38 HZ3 LYS 38 1.459 5.387 16.946 320 H CYS 39 HN CYS 39 4.596 7.609 12.029 321 HA CYS 39 HA CYS 39 6.867 5.924 12.011 322 HB2 CYS 39 HB2 CYS 39 6.978 8.381 11.788 323 HB3 CYS 39 HB1 CYS 39 6.474 8.545 13.466 324 H ALA 40 HN ALA 40 8.071 5.028 13.674 325 HA ALA 40 HA ALA 40 6.535 4.250 16.026 326 HB1 ALA 40 HB1 ALA 40 7.977 2.436 16.239 327 HB2 ALA 40 HB2 ALA 40 9.279 3.246 15.367 328 HB3 ALA 40 HB3 ALA 40 7.864 2.664 14.493 329 H ALA 41 HN ALA 41 8.725 6.668 15.270 330 HA ALA 41 HA ALA 41 9.854 6.749 17.982 331 HB1 ALA 41 HB1 ALA 41 10.783 8.232 15.529 332 HB2 ALA 41 HB2 ALA 41 11.476 6.728 16.138 333 HB3 ALA 41 HB3 ALA 41 11.577 8.201 17.104 334 H CYS 42 HN CYS 42 8.411 8.935 15.528 335 HA CYS 42 HA CYS 42 7.700 10.766 17.723 336 HB2 CYS 42 HB2 CYS 42 7.626 12.564 16.104 337 HB3 CYS 42 HB1 CYS 42 9.169 11.730 15.981 338 H GLN 43 HN GLN 43 6.350 8.434 15.809 339 HA GLN 43 HA GLN 43 4.258 7.705 15.377 340 HB2 GLN 43 HB2 GLN 43 3.600 9.785 17.449 341 HB3 GLN 43 HB1 GLN 43 2.344 8.824 16.683 342 HG2 GLN 43 HG2 GLN 43 2.783 7.681 18.652 343 HG3 GLN 43 HG1 GLN 43 3.714 6.791 17.450 344 HE21 GLN 43 HE21 GLN 43 5.961 6.935 17.466 345 HE22 GLN 43 HE22 GLN 43 6.834 7.538 18.831 346 H LYS 44 HN LYS 44 5.427 10.289 14.027 347 HA LYS 44 HA LYS 44 3.227 11.780 13.043 348 HB2 LYS 44 HB2 LYS 44 5.819 12.250 13.010 349 HB3 LYS 44 HB1 LYS 44 5.737 11.466 11.441 350 HG2 LYS 44 HG2 LYS 44 4.089 13.119 10.704 351 HG3 LYS 44 HG1 LYS 44 4.176 13.905 12.281 352 HD2 LYS 44 HD2 LYS 44 6.554 14.367 11.915 353 HD3 LYS 44 HD1 LYS 44 6.462 13.585 10.336 354 HE2 LYS 44 HE2 LYS 44 4.829 15.255 9.606 355 HE3 LYS 44 HE1 LYS 44 4.916 16.033 11.186 356 HZ1 LYS 44 HZ1 LYS 44 6.290 17.171 9.560 357 HZ2 LYS 44 HZ2 LYS 44 7.170 15.756 9.271 358 HZ3 LYS 44 HZ3 LYS 44 7.251 16.507 10.784 359 H HIS 45 HN HIS 45 2.574 11.881 10.724 360 HA HIS 45 HA HIS 45 2.079 9.172 9.722 361 HB2 HIS 45 HB2 HIS 45 0.730 11.820 9.168 362 HB3 HIS 45 HB1 HIS 45 0.363 10.352 8.267 363 HD1 HIS 45 HD1 HIS 45 -1.246 8.729 9.319 364 HD2 HIS 45 HD2 HIS 45 -0.011 11.695 11.953 365 HE1 HIS 45 HE1 HIS 45 -2.696 8.464 11.356 366 HE2 HIS 45 HE2 HIS 45 -1.988 10.325 12.901 367 H PHE 46 HN PHE 46 2.323 8.638 7.527 368 HA PHE 46 HA PHE 46 4.463 10.138 6.188 369 HB2 PHE 46 HB2 PHE 46 3.551 7.273 5.936 370 HB3 PHE 46 HB1 PHE 46 4.725 7.998 4.855 371 HD1 PHE 46 HD1 PHE 46 4.152 7.636 8.543 372 HD2 PHE 46 HD2 PHE 46 6.939 7.605 5.320 373 HE1 PHE 46 HE1 PHE 46 5.941 7.042 10.108 374 HE2 PHE 46 HE2 PHE 46 8.737 7.009 6.887 375 HZ PHE 46 HZ PHE 46 8.243 6.729 9.284 376 H SER 47 HN SER 47 4.396 10.432 3.912 377 HA SER 47 HA SER 47 1.674 10.547 2.789 378 HB2 SER 47 HB2 SER 47 2.627 12.787 3.415 379 HB3 SER 47 HB1 SER 47 3.902 12.518 2.228 380 HG SER 47 HG SER 47 1.340 12.140 1.282 381 H VAL 48 HN VAL 48 1.496 10.370 0.486 382 HA VAL 48 HA VAL 48 3.080 8.317 -0.644 383 HB VAL 48 HB VAL 48 1.844 8.884 -2.805 384 HG11 VAL 48 HG11 VAL 48 1.162 7.086 -1.333 385 HG12 VAL 48 HG12 VAL 48 -0.253 7.910 -1.986 386 HG13 VAL 48 HG13 VAL 48 0.260 8.220 -0.328 387 HG21 VAL 48 HG21 VAL 48 1.292 11.220 -2.343 388 HG22 VAL 48 HG22 VAL 48 0.314 10.729 -0.960 389 HG23 VAL 48 HG23 VAL 48 -0.175 10.272 -2.590 390 H GLY 49 HN GLY 49 4.873 8.328 -1.834 391 HA2 GLY 49 HA2 GLY 49 6.195 9.248 -3.641 392 HA3 GLY 49 HA1 GLY 49 5.722 10.851 -3.107 393 H ASP 50 HN ASP 50 6.252 9.697 -0.244 394 HA ASP 50 HA ASP 50 9.065 10.496 -0.210 395 HB2 ASP 50 HB2 ASP 50 6.991 10.211 1.966 396 HB3 ASP 50 HB1 ASP 50 8.689 10.529 2.306 397 H ARG 51 HN ARG 51 10.671 9.311 0.892 398 HA ARG 51 HA ARG 51 10.354 6.434 0.700 399 HB2 ARG 51 HB2 ARG 51 12.763 8.153 1.317 400 HB3 ARG 51 HB1 ARG 51 12.806 6.401 1.192 401 HG2 ARG 51 HG2 ARG 51 11.927 6.672 -1.159 402 HG3 ARG 51 HG1 ARG 51 12.246 8.397 -0.981 403 HD2 ARG 51 HD2 ARG 51 14.595 7.933 -0.542 404 HD3 ARG 51 HD1 ARG 51 14.291 6.201 -0.669 405 HE ARG 51 HE ARG 51 13.452 7.510 -3.029 406 HH11 ARG 51 HH11 ARG 51 16.399 6.532 -1.387 407 HH12 ARG 51 HH12 ARG 51 17.310 6.404 -2.856 408 HH21 ARG 51 HH21 ARG 51 14.664 7.335 -4.937 409 HH22 ARG 51 HH22 ARG 51 16.328 6.859 -4.862 410 H TYR 52 HN TYR 52 10.337 5.000 2.357 411 HA TYR 52 HA TYR 52 10.655 6.042 5.090 412 HB2 TYR 52 HB2 TYR 52 8.723 4.812 5.857 413 HB3 TYR 52 HB1 TYR 52 8.237 5.824 4.506 414 HD1 TYR 52 HD1 TYR 52 7.856 4.749 2.254 415 HD2 TYR 52 HD2 TYR 52 8.449 2.446 5.789 416 HE1 TYR 52 HE1 TYR 52 6.897 2.783 1.134 417 HE2 TYR 52 HE2 TYR 52 7.492 0.484 4.677 418 HH TYR 52 HH TYR 52 6.973 0.328 1.332 419 H LEU 53 HN LEU 53 11.140 4.433 6.711 420 HA LEU 53 HA LEU 53 12.533 2.081 5.607 421 HB2 LEU 53 HB2 LEU 53 13.990 3.835 6.673 422 HB3 LEU 53 HB1 LEU 53 13.170 3.525 8.188 423 HG LEU 53 HG LEU 53 14.340 1.135 6.908 424 HD11 LEU 53 HD11 LEU 53 16.036 2.926 6.443 425 HD12 LEU 53 HD12 LEU 53 16.602 1.601 7.458 426 HD13 LEU 53 HD13 LEU 53 16.175 3.146 8.188 427 HD21 LEU 53 HD21 LEU 53 13.249 1.188 9.139 428 HD22 LEU 53 HD22 LEU 53 14.551 2.235 9.705 429 HD23 LEU 53 HD23 LEU 53 14.910 0.593 9.175 430 H LEU 54 HN LEU 54 11.796 0.156 6.193 431 HA LEU 54 HA LEU 54 9.708 -0.009 8.226 432 HB2 LEU 54 HB2 LEU 54 9.613 -1.020 5.827 433 HB3 LEU 54 HB1 LEU 54 10.616 -2.291 6.493 434 HG LEU 54 HG LEU 54 8.083 -1.639 7.925 435 HD11 LEU 54 HD11 LEU 54 7.369 -1.667 5.606 436 HD12 LEU 54 HD12 LEU 54 6.817 -3.122 6.436 437 HD13 LEU 54 HD13 LEU 54 8.203 -3.198 5.348 438 HD21 LEU 54 HD21 LEU 54 8.091 -4.057 8.305 439 HD22 LEU 54 HD22 LEU 54 9.611 -3.323 8.814 440 HD23 LEU 54 HD23 LEU 54 9.526 -4.214 7.295 441 H ILE 55 HN ILE 55 10.378 -0.323 10.229 442 HA ILE 55 HA ILE 55 12.803 -1.854 10.747 443 HB ILE 55 HB ILE 55 12.064 0.450 11.861 444 HG12 ILE 55 HG12 ILE 55 13.464 -0.385 13.934 445 HG13 ILE 55 HG11 ILE 55 13.688 -1.814 12.934 446 HG21 ILE 55 HG21 ILE 55 11.147 0.257 14.055 447 HG22 ILE 55 HG22 ILE 55 11.104 -1.502 13.939 448 HG23 ILE 55 HG23 ILE 55 10.035 -0.525 12.930 449 HD11 ILE 55 HD11 ILE 55 15.508 -0.129 12.765 450 HD12 ILE 55 HD12 ILE 55 14.346 0.979 12.033 451 HD13 ILE 55 HD13 ILE 55 14.750 -0.535 11.225 452 H ASN 56 HN ASN 56 12.621 -3.191 12.931 453 HA ASN 56 HA ASN 56 11.388 -5.581 12.428 454 HB2 ASN 56 HB2 ASN 56 11.954 -4.460 15.176 455 HB3 ASN 56 HB1 ASN 56 11.786 -6.161 14.759 456 HD21 ASN 56 HD21 ASN 56 13.770 -3.316 14.458 457 HD22 ASN 56 HD22 ASN 56 15.225 -4.129 14.012 458 H SER 57 HN SER 57 9.965 -2.847 14.175 459 HA SER 57 HA SER 57 7.522 -4.422 14.586 460 HB2 SER 57 HB2 SER 57 8.403 -1.857 15.931 461 HB3 SER 57 HB1 SER 57 6.897 -2.712 16.263 462 HG SER 57 HG SER 57 9.541 -3.460 16.854 463 H ASP 58 HN ASP 58 8.007 -0.893 14.167 464 HA ASP 58 HA ASP 58 5.932 -0.959 12.073 465 HB2 ASP 58 HB2 ASP 58 6.344 0.982 14.341 466 HB3 ASP 58 HB1 ASP 58 5.402 1.417 12.919 467 H ILE 59 HN ILE 59 6.047 1.681 11.238 468 HA ILE 59 HA ILE 59 8.575 1.715 9.770 469 HB ILE 59 HB ILE 59 6.104 3.431 9.366 470 HG12 ILE 59 HG12 ILE 59 6.175 1.852 7.179 471 HG13 ILE 59 HG11 ILE 59 6.849 0.742 8.370 472 HG21 ILE 59 HG21 ILE 59 8.640 3.162 7.796 473 HG22 ILE 59 HG22 ILE 59 7.852 4.624 8.386 474 HG23 ILE 59 HG23 ILE 59 7.139 3.719 7.052 475 HD11 ILE 59 HD11 ILE 59 4.402 0.550 8.073 476 HD12 ILE 59 HD12 ILE 59 4.234 2.194 8.696 477 HD13 ILE 59 HD13 ILE 59 4.888 0.920 9.727 478 H VAL 60 HN VAL 60 10.023 3.413 9.793 479 HA VAL 60 HA VAL 60 9.599 5.499 11.841 480 HB VAL 60 HB VAL 60 12.340 4.489 11.055 481 HG11 VAL 60 HG11 VAL 60 12.999 5.455 13.221 482 HG12 VAL 60 HG12 VAL 60 11.340 5.994 13.475 483 HG13 VAL 60 HG13 VAL 60 12.289 6.659 12.147 484 HG21 VAL 60 HG21 VAL 60 12.371 3.102 13.066 485 HG22 VAL 60 HG22 VAL 60 11.105 2.576 11.956 486 HG23 VAL 60 HG23 VAL 60 10.687 3.516 13.388 487 H CYS 61 HN CYS 61 9.665 7.533 11.133 488 HA CYS 61 HA CYS 61 9.931 8.216 8.412 489 HB2 CYS 61 HB2 CYS 61 9.468 10.435 9.067 490 HB3 CYS 61 HB1 CYS 61 8.600 9.426 10.216 491 H GLU 62 HN GLU 62 11.418 9.675 7.400 492 HA GLU 62 HA GLU 62 14.118 9.027 7.649 493 HB2 GLU 62 HB2 GLU 62 12.736 11.347 6.316 494 HB3 GLU 62 HB1 GLU 62 14.476 11.120 6.229 495 HG2 GLU 62 HG2 GLU 62 14.143 8.943 5.173 496 HG3 GLU 62 HG1 GLU 62 12.396 9.167 5.266 497 H GLN 63 HN GLN 63 12.254 11.381 9.361 498 HA GLN 63 HA GLN 63 14.333 13.122 10.203 499 HB2 GLN 63 HB2 GLN 63 11.668 13.265 10.332 500 HB3 GLN 63 HB1 GLN 63 11.968 12.668 11.955 501 HG2 GLN 63 HG2 GLN 63 13.385 15.090 10.892 502 HG3 GLN 63 HG1 GLN 63 11.778 15.196 11.604 503 HE21 GLN 63 HE21 GLN 63 15.147 14.663 12.192 504 HE22 GLN 63 HE22 GLN 63 15.071 14.735 13.917 505 H ASP 64 HN ASP 64 12.924 10.198 11.634 506 HA ASP 64 HA ASP 64 14.953 10.256 13.774 507 HB2 ASP 64 HB2 ASP 64 12.484 8.519 13.747 508 HB3 ASP 64 HB1 ASP 64 13.510 8.914 15.115 509 H ILE 65 HN ILE 65 14.684 8.920 10.823 510 HA ILE 65 HA ILE 65 14.964 6.164 11.094 511 HB ILE 65 HB ILE 65 14.537 7.240 8.955 512 HG12 ILE 65 HG12 ILE 65 16.604 5.184 9.341 513 HG13 ILE 65 HG11 ILE 65 15.152 5.149 8.353 514 HG21 ILE 65 HG21 ILE 65 15.946 9.192 9.097 515 HG22 ILE 65 HG22 ILE 65 16.330 8.292 7.630 516 HG23 ILE 65 HG23 ILE 65 17.397 8.192 9.031 517 HD11 ILE 65 HD11 ILE 65 17.752 6.456 7.579 518 HD12 ILE 65 HD12 ILE 65 16.308 6.314 6.572 519 HD13 ILE 65 HD13 ILE 65 17.203 4.867 7.041 520 H TYR 66 HN TYR 66 17.607 8.555 10.896 521 HA TYR 66 HA TYR 66 19.736 6.740 11.146 522 HB2 TYR 66 HB2 TYR 66 19.964 9.030 10.266 523 HB3 TYR 66 HB1 TYR 66 19.646 9.680 11.867 524 HD1 TYR 66 HD2 TYR 66 21.327 9.577 13.608 525 HD2 TYR 66 HD1 TYR 66 22.117 8.026 9.727 526 HE1 TYR 66 HE2 TYR 66 23.717 9.506 14.139 527 HE2 TYR 66 HE1 TYR 66 24.523 7.951 10.244 528 HH TYR 66 HH TYR 66 25.739 8.319 13.396 529 H GLU 67 HN GLU 67 18.245 8.819 13.649 530 HA GLU 67 HA GLU 67 19.848 7.922 15.790 531 HB2 GLU 67 HB2 GLU 67 17.173 9.303 15.687 532 HB3 GLU 67 HB1 GLU 67 17.941 8.881 17.210 533 HG2 GLU 67 HG2 GLU 67 19.873 10.249 16.622 534 HG3 GLU 67 HG1 GLU 67 19.115 10.663 15.086 535 H TRP 68 HN TRP 68 16.681 6.791 14.614 536 HA TRP 68 HA TRP 68 16.116 5.033 16.762 537 HB2 TRP 68 HB2 TRP 68 14.403 5.837 15.160 538 HB3 TRP 68 HB1 TRP 68 15.145 4.860 13.897 539 HD1 TRP 68 HD1 TRP 68 14.705 2.258 13.929 540 HE1 TRP 68 HE1 TRP 68 12.991 0.786 15.166 541 HE3 TRP 68 HE3 TRP 68 13.102 5.628 17.438 542 HZ2 TRP 68 HZ2 TRP 68 11.209 1.017 17.337 543 HZ3 TRP 68 HZ3 TRP 68 11.394 4.914 19.057 544 HH2 TRP 68 HH2 TRP 68 10.470 2.656 19.006 545 H THR 69 HN THR 69 17.513 4.395 13.536 546 HA THR 69 HA THR 69 17.991 1.637 13.913 547 HB THR 69 HB THR 69 19.666 1.898 12.037 548 HG1 THR 69 HG1 THR 69 19.629 3.978 10.997 549 HG21 THR 69 HG21 THR 69 17.332 1.336 11.585 550 HG22 THR 69 HG22 THR 69 17.974 2.398 10.330 551 HG23 THR 69 HG23 THR 69 16.911 3.049 11.578 552 H LYS 70 HN LYS 70 19.726 4.471 14.810 553 HA LYS 70 HA LYS 70 22.300 3.419 15.297 554 HB2 LYS 70 HB2 LYS 70 21.330 5.878 15.176 555 HB3 LYS 70 HB1 LYS 70 21.190 5.674 16.915 556 HG2 LYS 70 HG2 LYS 70 23.576 5.233 17.069 557 HG3 LYS 70 HG1 LYS 70 23.721 5.398 15.319 558 HD2 LYS 70 HD2 LYS 70 22.758 7.725 15.593 559 HD3 LYS 70 HD1 LYS 70 22.994 7.517 17.329 560 HE2 LYS 70 HE2 LYS 70 25.394 7.082 16.899 561 HE3 LYS 70 HE1 LYS 70 25.115 7.429 15.193 562 HZ1 LYS 70 HZ1 LYS 70 24.686 9.329 17.435 563 HZ2 LYS 70 HZ2 LYS 70 24.414 9.661 15.799 564 HZ3 LYS 70 HZ3 LYS 70 25.984 9.358 16.349 565 H ILE 71 HN ILE 71 19.466 3.820 17.385 566 HA ILE 71 HA ILE 71 20.815 2.753 19.724 567 HB ILE 71 HB ILE 71 17.855 3.309 19.535 568 HG12 ILE 71 HG12 ILE 71 18.880 5.370 18.775 569 HG13 ILE 71 HG11 ILE 71 18.293 5.603 20.411 570 HG21 ILE 71 HG21 ILE 71 19.754 3.340 21.879 571 HG22 ILE 71 HG22 ILE 71 18.540 2.111 21.519 572 HG23 ILE 71 HG23 ILE 71 18.039 3.747 21.947 573 HD11 ILE 71 HD11 ILE 71 20.434 6.701 20.073 574 HD12 ILE 71 HD12 ILE 71 21.169 5.167 19.609 575 HD13 ILE 71 HD13 ILE 71 20.586 5.402 21.256 576 H ASN 72 HN ASN 72 18.157 1.724 17.575 577 HA ASN 72 HA ASN 72 17.765 -0.780 18.920 578 HB2 ASN 72 HB2 ASN 72 16.692 0.401 16.372 579 HB3 ASN 72 HB1 ASN 72 16.344 -1.263 16.829 580 HD21 ASN 72 HD21 ASN 72 15.749 2.075 17.491 581 HD22 ASN 72 HD22 ASN 72 14.485 1.839 18.642 582 H GLY 73 HN GLY 73 19.676 0.271 16.183 583 HA2 GLY 73 HA2 GLY 73 21.661 -1.060 15.665 584 HA3 GLY 73 HA1 GLY 73 20.671 -2.496 15.887 585 H GLY 74 HN GLY 74 22.232 -0.944 13.608 586 HA2 GLY 74 HA2 GLY 74 20.611 -1.999 11.479 587 HA3 GLY 74 HA1 GLY 74 20.627 -0.243 11.515 588 H SER 75 HN SER 75 21.673 -0.098 9.527 589 HA SER 75 HA SER 75 24.536 -0.787 9.594 590 HB2 SER 75 HB2 SER 75 22.692 -0.964 7.197 591 HB3 SER 75 HB1 SER 75 24.436 -1.226 7.164 592 HG SER 75 HG SER 75 23.015 -3.144 7.361 593 H GLY 76 HN GLY 76 25.949 0.714 8.786 594 HA2 GLY 76 HA2 GLY 76 24.778 3.323 8.035 595 HA3 GLY 76 HA1 GLY 76 26.249 3.150 8.981 596 H GLY 77 HN GLY 77 27.253 4.534 7.410 597 HA2 GLY 77 HA2 GLY 77 29.044 4.402 5.844 598 HA3 GLY 77 HA1 GLY 77 28.266 3.005 5.115 599 H SER 78 HN SER 78 28.210 3.731 3.037 600 HA SER 78 HA SER 78 26.884 6.283 2.474 601 HB2 SER 78 HB2 SER 78 28.460 4.452 0.648 602 HB3 SER 78 HB1 SER 78 27.761 6.001 0.178 603 HG SER 78 HG SER 78 30.121 5.651 1.139 604 H GLY 79 HN GLY 79 26.691 2.827 1.684 605 HA2 GLY 79 HA2 GLY 79 24.137 2.240 1.740 606 HA3 GLY 79 HA1 GLY 79 24.139 3.248 0.302 607 H GLY 80 HN GLY 80 25.547 0.332 1.727 608 HA2 GLY 80 HA2 GLY 80 26.081 -0.692 -0.988 609 HA3 GLY 80 HA1 GLY 80 26.900 -1.235 0.469 610 H SER 81 HN SER 81 26.374 -3.251 0.919 611 HA SER 81 HA SER 81 23.706 -4.258 0.252 612 HB2 SER 81 HB2 SER 81 26.213 -5.732 1.098 613 HB3 SER 81 HB1 SER 81 24.687 -6.494 0.648 614 HG SER 81 HG SER 81 25.706 -4.689 -1.183 615 H GLY 82 HN GLY 82 22.258 -4.941 1.732 616 HA2 GLY 82 HA2 GLY 82 21.601 -5.782 3.867 617 HA3 GLY 82 HA1 GLY 82 23.053 -5.076 4.558 618 H GLY 83 HN GLY 83 20.325 -3.846 2.618 619 HA2 GLY 83 HA2 GLY 83 18.881 -2.451 4.421 620 HA3 GLY 83 HA1 GLY 83 20.260 -1.393 4.156 621 H ASP 84 HN ASP 84 17.191 -2.221 3.127 622 HA ASP 84 HA ASP 84 17.546 -0.743 0.600 623 HB2 ASP 84 HB2 ASP 84 15.762 -3.114 1.172 624 HB3 ASP 84 HB1 ASP 84 15.559 -2.081 -0.239 625 H VAL 85 HN VAL 85 16.002 0.771 0.065 626 HA VAL 85 HA VAL 85 14.006 1.388 2.150 627 HB VAL 85 HB VAL 85 15.238 3.496 0.364 628 HG11 VAL 85 HG11 VAL 85 13.805 3.676 3.017 629 HG12 VAL 85 HG12 VAL 85 13.136 4.098 1.441 630 HG13 VAL 85 HG13 VAL 85 14.470 5.037 2.113 631 HG21 VAL 85 HG21 VAL 85 17.079 2.505 1.614 632 HG22 VAL 85 HG22 VAL 85 16.184 2.705 3.120 633 HG23 VAL 85 HG23 VAL 85 16.721 4.122 2.220 634 H MET 86 HN MET 86 11.954 1.703 1.531 635 HA MET 86 HA MET 86 11.343 1.664 -1.356 636 HB2 MET 86 HB2 MET 86 9.923 0.302 0.934 637 HB3 MET 86 HB1 MET 86 9.184 0.521 -0.645 638 HG2 MET 86 HG2 MET 86 11.757 -0.959 -0.143 639 HG3 MET 86 HG1 MET 86 10.175 -1.714 -0.317 640 HE1 MET 86 HE1 MET 86 11.983 -2.669 -3.665 641 HE2 MET 86 HE2 MET 86 11.133 -3.279 -2.246 642 HE3 MET 86 HE3 MET 86 12.717 -2.524 -2.067 643 H VAL 87 HN VAL 87 9.482 2.796 -2.048 644 HA VAL 87 HA VAL 87 8.857 5.115 -0.407 645 HB VAL 87 HB VAL 87 9.707 5.496 -2.682 646 HG11 VAL 87 HG11 VAL 87 8.828 3.511 -3.796 647 HG12 VAL 87 HG12 VAL 87 8.406 4.986 -4.670 648 HG13 VAL 87 HG13 VAL 87 7.193 4.167 -3.684 649 HG21 VAL 87 HG21 VAL 87 8.281 7.181 -1.715 650 HG22 VAL 87 HG22 VAL 87 6.849 6.360 -2.333 651 HG23 VAL 87 HG23 VAL 87 8.005 7.078 -3.453 652 H VAL 88 HN VAL 88 6.736 5.776 0.048 653 HA VAL 88 HA VAL 88 4.860 3.731 0.615 654 HB VAL 88 HB VAL 88 4.134 6.661 0.490 655 HG11 VAL 88 HG11 VAL 88 3.258 4.547 2.452 656 HG12 VAL 88 HG12 VAL 88 2.372 4.945 0.980 657 HG13 VAL 88 HG13 VAL 88 2.585 6.164 2.237 658 HG21 VAL 88 HG21 VAL 88 6.237 6.587 1.680 659 HG22 VAL 88 HG22 VAL 88 5.649 5.275 2.700 660 HG23 VAL 88 HG23 VAL 88 4.924 6.878 2.821 661 H GLY 89 HN GLY 89 3.774 2.643 -0.878 662 HA2 GLY 89 HA2 GLY 89 3.199 3.535 -3.504 663 HA3 GLY 89 HA1 GLY 89 2.536 2.105 -2.735 664 H GLU 90 HN GLU 90 1.319 4.172 -4.506 665 HA GLU 90 HA GLU 90 -0.474 5.791 -3.047 666 HB2 GLU 90 HB2 GLU 90 -0.493 4.776 -5.881 667 HB3 GLU 90 HB1 GLU 90 -1.770 5.809 -5.254 668 HG2 GLU 90 HG2 GLU 90 -0.120 7.544 -4.758 669 HG3 GLU 90 HG1 GLU 90 1.156 6.507 -5.394 670 HA PRO 91 HA PRO 91 -3.510 2.685 -1.869 671 HB2 PRO 91 HB2 PRO 91 -5.542 4.707 -1.471 672 HB3 PRO 91 HB1 PRO 91 -4.643 3.798 -0.256 673 HG2 PRO 91 HG2 PRO 91 -4.331 6.479 -0.663 674 HG3 PRO 91 HG1 PRO 91 -3.052 5.431 -0.028 675 HD2 PRO 91 HD2 PRO 91 -3.443 6.477 -2.808 676 HD3 PRO 91 HD1 PRO 91 -1.951 6.313 -1.859 677 H THR 92 HN THR 92 -4.928 1.448 -2.931 678 HA THR 92 HA THR 92 -6.433 2.626 -5.178 679 HB THR 92 HB THR 92 -6.341 0.290 -6.191 680 HG1 THR 92 HG1 THR 92 -4.232 -0.737 -5.380 681 HG21 THR 92 HG21 THR 92 -5.024 2.149 -7.081 682 HG22 THR 92 HG22 THR 92 -4.121 0.637 -7.171 683 HG23 THR 92 HG23 THR 92 -3.747 1.813 -5.912 684 H LEU 93 HN LEU 93 -8.545 2.600 -4.895 685 HA LEU 93 HA LEU 93 -9.841 1.257 -2.770 686 HB2 LEU 93 HB2 LEU 93 -11.955 2.025 -3.888 687 HB3 LEU 93 HB1 LEU 93 -10.805 3.284 -3.489 688 HG LEU 93 HG LEU 93 -10.103 2.810 -6.061 689 HD11 LEU 93 HD11 LEU 93 -12.131 2.571 -7.397 690 HD12 LEU 93 HD12 LEU 93 -13.075 2.327 -5.927 691 HD13 LEU 93 HD13 LEU 93 -11.852 1.146 -6.396 692 HD21 LEU 93 HD21 LEU 93 -10.578 4.985 -5.085 693 HD22 LEU 93 HD22 LEU 93 -12.306 4.631 -5.101 694 HD23 LEU 93 HD23 LEU 93 -11.426 4.797 -6.620 695 H MET 94 HN MET 94 -10.653 -0.691 -2.576 696 HA MET 94 HA MET 94 -10.981 -2.918 -2.989 697 HB2 MET 94 HB2 MET 94 -12.827 -1.527 -4.920 698 HB3 MET 94 HB1 MET 94 -12.869 -3.269 -4.684 699 HG2 MET 94 HG2 MET 94 -13.347 -2.935 -2.310 700 HG3 MET 94 HG1 MET 94 -13.310 -1.189 -2.551 701 HE1 MET 94 HE1 MET 94 -15.747 -2.729 -1.190 702 HE2 MET 94 HE2 MET 94 -17.119 -1.926 -1.955 703 HE3 MET 94 HE3 MET 94 -15.722 -0.983 -1.434 704 H GLY 95 HN GLY 95 -8.633 -2.053 -4.356 705 HA2 GLY 95 HA2 GLY 95 -7.157 -3.424 -5.615 706 HA3 GLY 95 HA1 GLY 95 -8.543 -4.093 -6.464 707 H GLY 96 HN GLY 96 -9.548 -2.853 -8.120 708 HA2 GLY 96 HA2 GLY 96 -9.670 -0.939 -9.551 709 HA3 GLY 96 HA1 GLY 96 -8.024 -0.531 -9.091 710 H GLU 97 HN GLU 97 -6.438 -1.062 -10.436 711 HA GLU 97 HA GLU 97 -7.072 -2.784 -12.728 712 HB2 GLU 97 HB2 GLU 97 -4.976 -0.653 -12.312 713 HB3 GLU 97 HB1 GLU 97 -4.953 -1.744 -13.689 714 HG2 GLU 97 HG2 GLU 97 -7.113 -0.915 -14.416 715 HG3 GLU 97 HG1 GLU 97 -7.205 0.133 -13.001 716 H PHE 98 HN PHE 98 -5.915 -4.583 -13.212 717 HA PHE 98 HA PHE 98 -3.679 -5.308 -11.438 718 HB2 PHE 98 HB2 PHE 98 -6.006 -7.051 -12.264 719 HB3 PHE 98 HB1 PHE 98 -4.525 -7.689 -11.561 720 HD1 PHE 98 HD2 PHE 98 -3.999 -7.330 -9.224 721 HD2 PHE 98 HD1 PHE 98 -7.586 -5.805 -10.931 722 HE1 PHE 98 HE2 PHE 98 -4.903 -6.944 -6.969 723 HE2 PHE 98 HE1 PHE 98 -8.497 -5.416 -8.679 724 HZ PHE 98 HZ PHE 98 -7.155 -5.986 -6.694 725 H GLY 99 HN GLY 99 -5.300 -5.917 -14.542 726 HA2 GLY 99 HA2 GLY 99 -2.825 -7.084 -15.614 727 HA3 GLY 99 HA1 GLY 99 -4.415 -7.185 -16.356 728 H ASP 100 HN ASP 100 -2.093 -4.675 -15.347 729 HA ASP 100 HA ASP 100 -2.425 -3.403 -17.977 730 HB2 ASP 100 HB2 ASP 100 -2.476 -2.060 -15.272 731 HB3 ASP 100 HB1 ASP 100 -2.189 -1.173 -16.766 732 H GLU 101 HN GLU 101 -0.344 -5.066 -16.326 733 HA GLU 101 HA GLU 101 1.978 -3.322 -16.438 734 HB2 GLU 101 HB2 GLU 101 3.211 -5.338 -15.566 735 HB3 GLU 101 HB1 GLU 101 1.942 -4.723 -14.522 736 HG2 GLU 101 HG2 GLU 101 0.457 -6.525 -15.266 737 HG3 GLU 101 HG1 GLU 101 1.734 -7.140 -16.315 738 H ASP 102 HN ASP 102 0.541 -5.874 -18.317 739 HA ASP 102 HA ASP 102 2.890 -6.331 -19.948 740 HB2 ASP 102 HB2 ASP 102 0.072 -7.395 -20.015 741 HB3 ASP 102 HB1 ASP 102 1.236 -7.757 -21.284 742 H GLU 103 HN GLU 103 0.283 -4.138 -19.957 743 HA GLU 103 HA GLU 103 0.284 -3.670 -22.822 744 HB2 GLU 103 HB2 GLU 103 -1.210 -2.416 -20.526 745 HB3 GLU 103 HB1 GLU 103 -1.306 -1.782 -22.163 746 HG2 GLU 103 HG2 GLU 103 -2.179 -3.926 -22.945 747 HG3 GLU 103 HG1 GLU 103 -2.080 -4.563 -21.304 748 H ARG 104 HN ARG 104 1.489 -2.099 -19.900 749 HA ARG 104 HA ARG 104 2.498 0.181 -21.387 750 HB2 ARG 104 HB2 ARG 104 3.275 0.996 -19.163 751 HB3 ARG 104 HB1 ARG 104 1.552 0.679 -19.239 752 HG2 ARG 104 HG2 ARG 104 1.886 -1.436 -18.043 753 HG3 ARG 104 HG1 ARG 104 3.619 -1.118 -17.972 754 HD2 ARG 104 HD2 ARG 104 1.559 0.756 -16.828 755 HD3 ARG 104 HD1 ARG 104 2.283 -0.551 -15.895 756 HE ARG 104 HE ARG 104 4.363 0.934 -17.001 757 HH11 ARG 104 HH11 ARG 104 1.798 1.437 -14.655 758 HH12 ARG 104 HH12 ARG 104 2.690 2.624 -13.763 759 HH21 ARG 104 HH21 ARG 104 5.512 2.490 -15.818 760 HH22 ARG 104 HH22 ARG 104 4.791 3.220 -14.423 761 H LEU 105 HN LEU 105 3.586 -2.878 -21.012 762 HA LEU 105 HA LEU 105 6.409 -2.243 -20.638 763 HB2 LEU 105 HB2 LEU 105 5.103 -4.285 -19.665 764 HB3 LEU 105 HB1 LEU 105 5.344 -4.978 -21.254 765 HG LEU 105 HG LEU 105 7.747 -3.941 -19.828 766 HD11 LEU 105 HD11 LEU 105 6.376 -6.534 -19.136 767 HD12 LEU 105 HD12 LEU 105 6.587 -5.147 -18.068 768 HD13 LEU 105 HD13 LEU 105 7.993 -6.057 -18.618 769 HD21 LEU 105 HD21 LEU 105 8.791 -5.862 -20.926 770 HD22 LEU 105 HD22 LEU 105 7.938 -4.847 -22.088 771 HD23 LEU 105 HD23 LEU 105 7.219 -6.364 -21.548 772 H ILE 106 HN ILE 106 4.221 -3.475 -23.136 773 HA ILE 106 HA ILE 106 6.403 -3.505 -25.085 774 HB ILE 106 HB ILE 106 4.618 -4.467 -26.648 775 HG12 ILE 106 HG12 ILE 106 2.911 -5.824 -25.091 776 HG13 ILE 106 HG11 ILE 106 3.083 -4.390 -24.088 777 HG21 ILE 106 HG21 ILE 106 5.484 -6.029 -24.225 778 HG22 ILE 106 HG22 ILE 106 6.404 -5.791 -25.711 779 HG23 ILE 106 HG23 ILE 106 4.909 -6.726 -25.739 780 HD11 ILE 106 HD11 ILE 106 1.159 -4.216 -25.552 781 HD12 ILE 106 HD12 ILE 106 2.194 -4.440 -26.963 782 HD13 ILE 106 HD13 ILE 106 2.367 -2.998 -25.961 783 H THR 107 HN THR 107 6.596 -2.123 -26.742 784 HA THR 107 HA THR 107 4.432 -0.228 -27.311 785 HB THR 107 HB THR 107 6.188 1.610 -27.490 786 HG1 THR 107 HG1 THR 107 7.823 0.734 -25.605 787 HG21 THR 107 HG21 THR 107 5.577 0.493 -24.750 788 HG22 THR 107 HG22 THR 107 4.538 1.565 -25.689 789 HG23 THR 107 HG23 THR 107 6.095 2.143 -25.096 790 H ARG 108 HN ARG 108 4.451 0.652 -29.389 791 HA ARG 108 HA ARG 108 6.084 -0.841 -31.321 792 HB2 ARG 108 HB2 ARG 108 3.454 0.615 -31.573 793 HB3 ARG 108 HB1 ARG 108 4.369 0.085 -32.977 794 HG2 ARG 108 HG2 ARG 108 4.216 -2.229 -32.214 795 HG3 ARG 108 HG1 ARG 108 3.314 -1.703 -30.792 796 HD2 ARG 108 HD2 ARG 108 2.391 -1.150 -33.602 797 HD3 ARG 108 HD1 ARG 108 1.953 -2.617 -32.730 798 HE ARG 108 HE ARG 108 1.329 -0.398 -31.130 799 HH11 ARG 108 HH11 ARG 108 0.211 -1.913 -34.095 800 HH12 ARG 108 HH12 ARG 108 -1.412 -1.337 -33.912 801 HH21 ARG 108 HH21 ARG 108 -0.801 0.344 -30.912 802 HH22 ARG 108 HH22 ARG 108 -1.983 -0.060 -32.111 803 H LEU 109 HN LEU 109 7.520 0.126 -32.614 804 HA LEU 109 HA LEU 109 7.601 3.068 -32.700 805 HB2 LEU 109 HB2 LEU 109 9.919 1.174 -32.309 806 HB3 LEU 109 HB1 LEU 109 10.112 2.863 -32.734 807 HG LEU 109 HG LEU 109 8.553 2.176 -30.277 808 HD11 LEU 109 HD11 LEU 109 11.563 2.201 -30.455 809 HD12 LEU 109 HD12 LEU 109 10.550 0.806 -30.082 810 HD13 LEU 109 HD13 LEU 109 10.622 2.168 -28.963 811 HD21 LEU 109 HD21 LEU 109 8.662 4.496 -31.023 812 HD22 LEU 109 HD22 LEU 109 10.424 4.432 -31.005 813 HD23 LEU 109 HD23 LEU 109 9.520 4.289 -29.498 814 H GLU 110 HN GLU 110 8.371 4.002 -34.597 815 HA GLU 110 HA GLU 110 8.296 2.235 -36.940 816 HB2 GLU 110 HB2 GLU 110 7.841 5.197 -36.603 817 HB3 GLU 110 HB1 GLU 110 8.047 4.455 -38.184 818 HG2 GLU 110 HG2 GLU 110 6.102 3.034 -37.770 819 HG3 GLU 110 HG1 GLU 110 5.894 3.783 -36.188 820 H ASN 111 HN ASN 111 9.879 2.269 -38.515 821 HA ASN 111 HA ASN 111 12.436 3.487 -37.708 822 HB2 ASN 111 HB2 ASN 111 11.859 0.986 -39.302 823 HB3 ASN 111 HB1 ASN 111 13.463 1.706 -39.193 824 HD21 ASN 111 HD21 ASN 111 10.955 0.013 -37.493 825 HD22 ASN 111 HD22 ASN 111 11.902 -0.426 -36.117 826 H THR 112 HN THR 112 10.351 2.815 -40.498 827 HA THR 112 HA THR 112 11.932 4.648 -42.154 828 HB THR 112 HB THR 112 10.387 3.834 -44.008 829 HG1 THR 112 HG1 THR 112 9.686 2.005 -41.942 830 HG21 THR 112 HG21 THR 112 12.677 3.016 -43.778 831 HG22 THR 112 HG22 THR 112 11.601 1.718 -44.299 832 HG23 THR 112 HG23 THR 112 12.138 1.799 -42.621 833 H GLN 113 HN GLN 113 11.173 6.546 -42.912 834 HA GLN 113 HA GLN 113 8.404 7.305 -42.252 835 HB2 GLN 113 HB2 GLN 113 10.930 8.894 -41.815 836 HB3 GLN 113 HB1 GLN 113 9.346 9.651 -41.878 837 HG2 GLN 113 HG2 GLN 113 8.619 8.291 -39.982 838 HG3 GLN 113 HG1 GLN 113 10.209 7.533 -39.919 839 HE21 GLN 113 HE21 GLN 113 11.971 8.723 -39.185 840 HE22 GLN 113 HE22 GLN 113 11.781 10.193 -38.299 841 H PHE 114 HN PHE 114 7.327 8.548 -43.729 842 HA PHE 114 HA PHE 114 8.627 8.844 -46.347 843 HB2 PHE 114 HB2 PHE 114 5.720 8.640 -45.555 844 HB3 PHE 114 HB1 PHE 114 6.239 9.076 -47.179 845 HD1 PHE 114 HD1 PHE 114 7.261 7.439 -48.641 846 HD2 PHE 114 HD2 PHE 114 5.993 6.392 -44.715 847 HE1 PHE 114 HE1 PHE 114 7.434 5.055 -49.224 848 HE2 PHE 114 HE2 PHE 114 6.164 4.006 -45.292 849 HZ PHE 114 HZ PHE 114 6.886 3.335 -47.550 850 H ASP 115 HN ASP 115 6.696 10.598 -43.956 851 HA ASP 115 HA ASP 115 6.345 12.792 -43.511 852 HB2 ASP 115 HB2 ASP 115 8.819 13.152 -45.212 853 HB3 ASP 115 HB1 ASP 115 8.024 14.475 -44.366 854 H ALA 116 HN ALA 116 4.802 14.101 -44.184 855 HA ALA 116 HA ALA 116 4.137 14.146 -47.038 856 HB1 ALA 116 HB1 ALA 116 1.934 14.910 -46.340 857 HB2 ALA 116 HB2 ALA 116 2.479 14.988 -44.664 858 HB3 ALA 116 HB3 ALA 116 2.382 13.432 -45.488 859 H ALA 117 HN ALA 117 3.701 16.061 -48.146 860 HA ALA 117 HA ALA 117 5.119 18.406 -47.112 861 HB1 ALA 117 HB1 ALA 117 5.784 17.542 -49.304 862 HB2 ALA 117 HB2 ALA 117 5.155 19.185 -49.416 863 HB3 ALA 117 HB3 ALA 117 4.151 17.821 -49.908 864 H ASN 118 HN ASN 118 1.958 17.273 -47.434 865 HA ASN 118 HA ASN 118 -0.110 18.142 -47.130 866 HB2 ASN 118 HB2 ASN 118 1.433 20.537 -46.114 867 HB3 ASN 118 HB1 ASN 118 -0.321 20.408 -46.044 868 HD21 ASN 118 HD21 ASN 118 2.697 19.229 -44.799 869 HD22 ASN 118 HD22 ASN 118 2.041 18.391 -43.438 870 H GLY 119 HN GLY 119 -1.518 18.706 -48.617 871 HA2 GLY 119 HA2 GLY 119 -1.909 21.020 -49.948 872 HA3 GLY 119 HA1 GLY 119 -0.670 20.240 -50.921 873 H ILE 120 HN ILE 120 -3.980 20.486 -50.262 874 HA ILE 120 HA ILE 120 -4.634 17.988 -51.636 875 HB ILE 120 HB ILE 120 -7.046 18.636 -51.087 876 HG12 ILE 120 HG12 ILE 120 -6.941 20.056 -48.816 877 HG13 ILE 120 HG11 ILE 120 -5.583 20.804 -49.646 878 HG21 ILE 120 HG21 ILE 120 -6.854 17.771 -48.800 879 HG22 ILE 120 HG22 ILE 120 -5.111 18.039 -48.859 880 HG23 ILE 120 HG23 ILE 120 -5.861 16.871 -49.947 881 HD11 ILE 120 HD11 ILE 120 -7.627 22.057 -49.999 882 HD12 ILE 120 HD12 ILE 120 -8.405 20.627 -50.676 883 HD13 ILE 120 HD13 ILE 120 -7.046 21.373 -51.517 884 H ASP 121 HN ASP 121 -4.161 21.220 -52.405 885 HA ASP 121 HA ASP 121 -6.057 21.239 -54.630 886 HB2 ASP 121 HB2 ASP 121 -4.249 23.368 -53.479 887 HB3 ASP 121 HB1 ASP 121 -5.177 23.597 -54.957 888 H ASP 122 HN ASP 122 -2.563 21.386 -54.029 889 HA ASP 122 HA ASP 122 -2.107 20.617 -56.835 890 HB2 ASP 122 HB2 ASP 122 -0.583 22.651 -55.202 891 HB3 ASP 122 HB1 ASP 122 0.055 21.940 -56.682 892 H GLU 123 HN GLU 123 -0.863 18.883 -57.122 893 HA GLU 123 HA GLU 123 0.434 17.700 -54.769 894 HB2 GLU 123 HB2 GLU 123 -0.552 16.495 -57.354 895 HB3 GLU 123 HB1 GLU 123 0.481 15.611 -56.240 896 HG2 GLU 123 HG2 GLU 123 -1.645 14.899 -55.669 897 HG3 GLU 123 HG1 GLU 123 -1.315 16.154 -54.477 Start of MODEL 6 1 H TYR 1 HT1 TYR 1 -15.836 -20.095 12.170 2 HA TYR 1 HA TYR 1 -16.701 -20.366 14.382 3 HB2 TYR 1 HB2 TYR 1 -15.001 -17.936 14.945 4 HB3 TYR 1 HB1 TYR 1 -16.304 -18.456 16.007 5 HD1 TYR 1 HD1 TYR 1 -16.085 -20.477 17.344 6 HD2 TYR 1 HD2 TYR 1 -12.940 -19.208 14.775 7 HE1 TYR 1 HE1 TYR 1 -14.544 -22.020 18.479 8 HE2 TYR 1 HE2 TYR 1 -11.390 -20.750 15.902 9 HH TYR 1 HH TYR 1 -12.436 -23.193 18.011 10 H LEU 2 HN LEU 2 -16.213 -17.331 12.617 11 HA LEU 2 HA LEU 2 -19.025 -16.609 13.023 12 HB2 LEU 2 HB2 LEU 2 -16.680 -15.061 11.923 13 HB3 LEU 2 HB1 LEU 2 -18.325 -14.456 11.898 14 HG LEU 2 HG LEU 2 -18.156 -14.959 14.509 15 HD11 LEU 2 HD11 LEU 2 -15.942 -14.413 15.366 16 HD12 LEU 2 HD12 LEU 2 -15.308 -14.359 13.721 17 HD13 LEU 2 HD13 LEU 2 -15.896 -15.881 14.390 18 HD21 LEU 2 HD21 LEU 2 -18.706 -12.810 13.522 19 HD22 LEU 2 HD22 LEU 2 -17.007 -12.532 13.137 20 HD23 LEU 2 HD23 LEU 2 -17.529 -12.607 14.820 21 H ARG 3 HN ARG 3 -20.511 -16.728 11.463 22 HA ARG 3 HA ARG 3 -20.037 -18.168 9.076 23 HB2 ARG 3 HB2 ARG 3 -22.227 -17.719 10.519 24 HB3 ARG 3 HB1 ARG 3 -22.461 -16.456 9.322 25 HG2 ARG 3 HG2 ARG 3 -22.337 -18.129 7.536 26 HG3 ARG 3 HG1 ARG 3 -22.120 -19.394 8.746 27 HD2 ARG 3 HD2 ARG 3 -24.505 -17.559 8.711 28 HD3 ARG 3 HD1 ARG 3 -24.467 -19.087 7.833 29 HE ARG 3 HE ARG 3 -23.749 -19.592 10.486 30 HH11 ARG 3 HH11 ARG 3 -26.599 -18.573 8.704 31 HH12 ARG 3 HH12 ARG 3 -27.701 -19.249 9.856 32 HH21 ARG 3 HH21 ARG 3 -25.211 -20.467 11.981 33 HH22 ARG 3 HH22 ARG 3 -26.915 -20.318 11.711 34 H LEU 4 HN LEU 4 -20.400 -14.709 9.718 35 HA LEU 4 HA LEU 4 -20.008 -14.086 6.882 36 HB2 LEU 4 HB2 LEU 4 -20.753 -12.337 9.229 37 HB3 LEU 4 HB1 LEU 4 -20.482 -11.733 7.606 38 HG LEU 4 HG LEU 4 -22.355 -13.602 7.083 39 HD11 LEU 4 HD11 LEU 4 -22.535 -14.157 9.500 40 HD12 LEU 4 HD12 LEU 4 -24.049 -13.619 8.774 41 HD13 LEU 4 HD13 LEU 4 -23.117 -12.518 9.788 42 HD21 LEU 4 HD21 LEU 4 -22.422 -11.282 6.370 43 HD22 LEU 4 HD22 LEU 4 -22.852 -10.774 8.003 44 HD23 LEU 4 HD23 LEU 4 -23.972 -11.758 7.062 45 H PHE 5 HN PHE 5 -18.292 -12.909 6.114 46 HA PHE 5 HA PHE 5 -16.108 -12.315 7.997 47 HB2 PHE 5 HB2 PHE 5 -15.927 -13.715 5.327 48 HB3 PHE 5 HB1 PHE 5 -14.530 -13.005 6.127 49 HD1 PHE 5 HD1 PHE 5 -13.604 -13.995 8.133 50 HD2 PHE 5 HD2 PHE 5 -16.976 -15.715 6.185 51 HE1 PHE 5 HE1 PHE 5 -13.288 -16.066 9.423 52 HE2 PHE 5 HE2 PHE 5 -16.666 -17.789 7.474 53 HZ PHE 5 HZ PHE 5 -14.821 -17.966 9.095 54 H GLY 6 HN GLY 6 -14.690 -10.617 7.391 55 HA2 GLY 6 HA2 GLY 6 -15.992 -8.593 5.724 56 HA3 GLY 6 HA1 GLY 6 -14.696 -8.311 6.876 57 H GLN 7 HN GLN 7 -12.536 -8.823 6.277 58 HA GLN 7 HA GLN 7 -12.103 -9.185 3.387 59 HB2 GLN 7 HB2 GLN 7 -11.704 -6.807 4.655 60 HB3 GLN 7 HB1 GLN 7 -10.112 -7.540 4.813 61 HG2 GLN 7 HG2 GLN 7 -10.153 -7.933 2.338 62 HG3 GLN 7 HG1 GLN 7 -11.620 -6.958 2.278 63 HE21 GLN 7 HE21 GLN 7 -11.494 -4.741 2.714 64 HE22 GLN 7 HE22 GLN 7 -9.994 -3.886 2.665 65 H ASP 8 HN ASP 8 -9.915 -9.928 2.837 66 HA ASP 8 HA ASP 8 -9.019 -11.974 4.720 67 HB2 ASP 8 HB2 ASP 8 -9.558 -12.279 2.174 68 HB3 ASP 8 HB1 ASP 8 -7.935 -11.638 1.948 69 H GLY 9 HN GLY 9 -8.118 -8.846 3.771 70 HA2 GLY 9 HA2 GLY 9 -5.270 -9.267 4.276 71 HA3 GLY 9 HA1 GLY 9 -5.999 -7.816 3.608 72 H LEU 10 HN LEU 10 -5.267 -9.596 6.488 73 HA LEU 10 HA LEU 10 -6.370 -7.693 8.337 74 HB2 LEU 10 HB2 LEU 10 -4.395 -9.951 8.736 75 HB3 LEU 10 HB1 LEU 10 -5.013 -8.967 10.041 76 HG LEU 10 HG LEU 10 -6.184 -11.028 10.103 77 HD11 LEU 10 HD11 LEU 10 -7.561 -8.960 10.396 78 HD12 LEU 10 HD12 LEU 10 -8.458 -10.409 9.947 79 HD13 LEU 10 HD13 LEU 10 -8.115 -9.177 8.734 80 HD21 LEU 10 HD21 LEU 10 -6.813 -10.676 7.177 81 HD22 LEU 10 HD22 LEU 10 -7.427 -11.963 8.214 82 HD23 LEU 10 HD23 LEU 10 -5.700 -11.851 7.878 83 H CYS 11 HN CYS 11 -5.067 -6.409 9.881 84 HA CYS 11 HA CYS 11 -3.014 -4.947 8.493 85 HB2 CYS 11 HB2 CYS 11 -4.660 -3.818 9.921 86 HB3 CYS 11 HB1 CYS 11 -4.011 -4.653 11.326 87 H ALA 12 HN ALA 12 -0.915 -4.921 8.765 88 HA ALA 12 HA ALA 12 0.450 -7.110 9.926 89 HB1 ALA 12 HB1 ALA 12 2.408 -6.169 9.081 90 HB2 ALA 12 HB2 ALA 12 1.777 -4.527 9.199 91 HB3 ALA 12 HB3 ALA 12 1.151 -5.623 7.970 92 H SER 13 HN SER 13 -0.101 -3.812 11.073 93 HA SER 13 HA SER 13 1.605 -4.203 13.394 94 HB2 SER 13 HB2 SER 13 0.963 -1.836 13.928 95 HB3 SER 13 HB1 SER 13 1.737 -2.037 12.357 96 HG SER 13 HG SER 13 -0.429 -2.080 11.468 97 H CYS 14 HN CYS 14 -1.851 -3.436 12.823 98 HA CYS 14 HA CYS 14 -2.408 -4.352 15.559 99 HB2 CYS 14 HB2 CYS 14 -4.278 -2.951 15.636 100 HB3 CYS 14 HB1 CYS 14 -3.101 -1.997 14.749 101 H ASP 15 HN ASP 15 -4.369 -5.628 15.917 102 HA ASP 15 HA ASP 15 -4.667 -7.656 13.839 103 HB2 ASP 15 HB2 ASP 15 -5.490 -7.554 16.749 104 HB3 ASP 15 HB1 ASP 15 -5.949 -8.873 15.676 105 H LYS 16 HN LYS 16 -5.776 -5.430 12.925 106 HA LYS 16 HA LYS 16 -8.679 -5.830 13.229 107 HB2 LYS 16 HB2 LYS 16 -7.714 -3.634 14.128 108 HB3 LYS 16 HB1 LYS 16 -7.395 -3.208 12.465 109 HG2 LYS 16 HG2 LYS 16 -9.752 -3.302 11.942 110 HG3 LYS 16 HG1 LYS 16 -10.113 -3.857 13.576 111 HD2 LYS 16 HD2 LYS 16 -9.261 -1.751 14.482 112 HD3 LYS 16 HD1 LYS 16 -8.887 -1.199 12.848 113 HE2 LYS 16 HE2 LYS 16 -11.262 -1.333 12.265 114 HE3 LYS 16 HE1 LYS 16 -11.631 -1.879 13.901 115 HZ1 LYS 16 HZ1 LYS 16 -12.053 0.482 13.642 116 HZ2 LYS 16 HZ2 LYS 16 -10.448 0.749 13.182 117 HZ3 LYS 16 HZ3 LYS 16 -10.801 0.225 14.752 118 H ARG 17 HN ARG 17 -9.786 -6.259 11.431 119 HA ARG 17 HA ARG 17 -8.456 -6.894 9.022 120 HB2 ARG 17 HB2 ARG 17 -10.778 -7.235 8.106 121 HB3 ARG 17 HB1 ARG 17 -10.394 -8.156 9.548 122 HG2 ARG 17 HG2 ARG 17 -11.665 -6.557 10.906 123 HG3 ARG 17 HG1 ARG 17 -12.050 -5.635 9.451 124 HD2 ARG 17 HD2 ARG 17 -13.203 -7.589 8.527 125 HD3 ARG 17 HD1 ARG 17 -12.822 -8.502 9.986 126 HE ARG 17 HE ARG 17 -14.179 -6.160 10.717 127 HH11 ARG 17 HH11 ARG 17 -14.848 -9.194 9.081 128 HH12 ARG 17 HH12 ARG 17 -16.520 -9.201 9.532 129 HH21 ARG 17 HH21 ARG 17 -16.371 -6.189 11.294 130 HH22 ARG 17 HH22 ARG 17 -17.381 -7.501 10.783 131 H ILE 18 HN ILE 18 -8.203 -5.874 7.131 132 HA ILE 18 HA ILE 18 -8.480 -3.033 7.004 133 HB ILE 18 HB ILE 18 -7.442 -5.167 5.165 134 HG12 ILE 18 HG12 ILE 18 -6.037 -2.634 5.966 135 HG13 ILE 18 HG11 ILE 18 -6.177 -3.958 7.115 136 HG21 ILE 18 HG21 ILE 18 -8.408 -3.915 3.474 137 HG22 ILE 18 HG22 ILE 18 -6.786 -3.229 3.584 138 HG23 ILE 18 HG23 ILE 18 -8.151 -2.384 4.315 139 HD11 ILE 18 HD11 ILE 18 -4.900 -4.166 4.395 140 HD12 ILE 18 HD12 ILE 18 -4.968 -5.424 5.631 141 HD13 ILE 18 HD13 ILE 18 -4.039 -3.954 5.920 142 H ARG 19 HN ARG 19 -9.905 -1.788 5.771 143 HA ARG 19 HA ARG 19 -12.160 -3.211 4.513 144 HB2 ARG 19 HB2 ARG 19 -12.253 -0.923 6.473 145 HB3 ARG 19 HB1 ARG 19 -13.602 -1.285 5.406 146 HG2 ARG 19 HG2 ARG 19 -13.733 -3.546 6.370 147 HG3 ARG 19 HG1 ARG 19 -12.416 -3.136 7.469 148 HD2 ARG 19 HD2 ARG 19 -14.388 -2.834 8.717 149 HD3 ARG 19 HD1 ARG 19 -13.872 -1.211 8.260 150 HE ARG 19 HE ARG 19 -15.623 -1.997 6.294 151 HH11 ARG 19 HH11 ARG 19 -15.835 -1.592 9.777 152 HH12 ARG 19 HH12 ARG 19 -17.523 -1.203 9.744 153 HH21 ARG 19 HH21 ARG 19 -17.832 -1.486 6.276 154 HH22 ARG 19 HH22 ARG 19 -18.651 -1.144 7.763 155 H ALA 20 HN ALA 20 -13.632 -1.339 3.404 156 HA ALA 20 HA ALA 20 -12.145 -0.422 1.170 157 HB1 ALA 20 HB1 ALA 20 -14.956 0.285 1.995 158 HB2 ALA 20 HB2 ALA 20 -14.486 -1.102 1.011 159 HB3 ALA 20 HB3 ALA 20 -14.246 0.535 0.400 160 H TYR 21 HN TYR 21 -13.067 1.100 4.162 161 HA TYR 21 HA TYR 21 -12.682 3.817 3.327 162 HB2 TYR 21 HB2 TYR 21 -14.113 3.523 5.200 163 HB3 TYR 21 HB1 TYR 21 -12.980 2.451 6.007 164 HD1 TYR 21 HD2 TYR 21 -11.022 3.380 7.197 165 HD2 TYR 21 HD1 TYR 21 -13.939 5.926 5.426 166 HE1 TYR 21 HE2 TYR 21 -10.149 5.267 8.511 167 HE2 TYR 21 HE1 TYR 21 -13.082 7.822 6.739 168 HH TYR 21 HH TYR 21 -10.129 7.719 8.414 169 H GLU 22 HN GLU 22 -10.664 1.284 4.610 170 HA GLU 22 HA GLU 22 -8.493 2.924 5.446 171 HB2 GLU 22 HB2 GLU 22 -8.417 -0.023 4.794 172 HB3 GLU 22 HB1 GLU 22 -7.272 0.872 5.777 173 HG2 GLU 22 HG2 GLU 22 -10.174 0.487 6.493 174 HG3 GLU 22 HG1 GLU 22 -8.872 -0.552 7.058 175 H MET 23 HN MET 23 -9.059 0.948 2.527 176 HA MET 23 HA MET 23 -7.892 0.712 0.568 177 HB2 MET 23 HB2 MET 23 -7.624 3.707 0.895 178 HB3 MET 23 HB1 MET 23 -7.387 2.829 -0.605 179 HG2 MET 23 HG2 MET 23 -9.719 2.152 -0.603 180 HG3 MET 23 HG1 MET 23 -9.971 2.976 0.933 181 HE1 MET 23 HE1 MET 23 -11.958 4.472 0.107 182 HE2 MET 23 HE2 MET 23 -11.904 3.548 -1.393 183 HE3 MET 23 HE3 MET 23 -11.961 5.310 -1.445 184 H THR 24 HN THR 24 -6.180 -0.497 1.246 185 HA THR 24 HA THR 24 -3.691 0.878 1.979 186 HB THR 24 HB THR 24 -2.918 -1.466 2.605 187 HG1 THR 24 HG1 THR 24 -5.555 -1.958 1.840 188 HG21 THR 24 HG21 THR 24 -4.094 -1.438 4.759 189 HG22 THR 24 HG22 THR 24 -5.265 -0.293 4.103 190 HG23 THR 24 HG23 THR 24 -3.575 0.181 4.286 191 H MET 25 HN MET 25 -1.684 0.132 1.088 192 HA MET 25 HA MET 25 -1.936 -0.760 -1.698 193 HB2 MET 25 HB2 MET 25 0.423 0.216 -1.906 194 HB3 MET 25 HB1 MET 25 -0.898 1.352 -1.701 195 HG2 MET 25 HG2 MET 25 0.870 2.130 -0.353 196 HG3 MET 25 HG1 MET 25 -0.312 1.426 0.748 197 HE1 MET 25 HE1 MET 25 3.083 0.646 2.524 198 HE2 MET 25 HE2 MET 25 1.463 1.315 2.717 199 HE3 MET 25 HE3 MET 25 2.618 2.100 1.641 200 H ARG 26 HN ARG 26 0.033 -2.004 -2.538 201 HA ARG 26 HA ARG 26 0.421 -4.307 -0.833 202 HB2 ARG 26 HB2 ARG 26 1.122 -3.683 -3.689 203 HB3 ARG 26 HB1 ARG 26 1.766 -5.111 -2.891 204 HG2 ARG 26 HG2 ARG 26 -0.578 -5.802 -2.401 205 HG3 ARG 26 HG1 ARG 26 -1.124 -4.451 -3.397 206 HD2 ARG 26 HD2 ARG 26 0.033 -5.366 -5.320 207 HD3 ARG 26 HD1 ARG 26 0.681 -6.677 -4.336 208 HE ARG 26 HE ARG 26 -2.136 -6.661 -4.189 209 HH11 ARG 26 HH11 ARG 26 0.439 -7.495 -6.426 210 HH12 ARG 26 HH12 ARG 26 -0.509 -8.684 -7.254 211 HH21 ARG 26 HH21 ARG 26 -3.358 -8.226 -5.286 212 HH22 ARG 26 HH22 ARG 26 -2.656 -9.097 -6.609 213 H VAL 27 HN VAL 27 1.971 -4.426 0.599 214 HA VAL 27 HA VAL 27 4.439 -2.876 0.240 215 HB VAL 27 HB VAL 27 3.781 -4.313 2.810 216 HG11 VAL 27 HG11 VAL 27 5.913 -3.294 2.834 217 HG12 VAL 27 HG12 VAL 27 4.860 -2.218 3.750 218 HG13 VAL 27 HG13 VAL 27 5.303 -1.816 2.092 219 HG21 VAL 27 HG21 VAL 27 2.472 -2.451 3.615 220 HG22 VAL 27 HG22 VAL 27 1.727 -3.089 2.151 221 HG23 VAL 27 HG23 VAL 27 2.670 -1.602 2.084 222 H LYS 28 HN LYS 28 6.358 -4.175 1.531 223 HA LYS 28 HA LYS 28 7.329 -6.085 -0.177 224 HB2 LYS 28 HB2 LYS 28 7.991 -5.482 2.687 225 HB3 LYS 28 HB1 LYS 28 8.856 -6.722 1.792 226 HG2 LYS 28 HG2 LYS 28 9.565 -5.069 0.153 227 HG3 LYS 28 HG1 LYS 28 8.657 -3.820 1.008 228 HD2 LYS 28 HD2 LYS 28 10.063 -4.159 2.987 229 HD3 LYS 28 HD1 LYS 28 10.971 -5.404 2.126 230 HE2 LYS 28 HE2 LYS 28 11.683 -3.748 0.477 231 HE3 LYS 28 HE1 LYS 28 10.761 -2.505 1.321 232 HZ1 LYS 28 HZ1 LYS 28 13.101 -2.416 1.902 233 HZ2 LYS 28 HZ2 LYS 28 13.056 -4.017 2.448 234 HZ3 LYS 28 HZ3 LYS 28 12.173 -2.822 3.256 235 H ASP 29 HN ASP 29 6.252 -6.964 3.138 236 HA ASP 29 HA ASP 29 5.469 -9.585 2.041 237 HB2 ASP 29 HB2 ASP 29 6.777 -8.924 4.678 238 HB3 ASP 29 HB1 ASP 29 5.988 -10.467 4.372 239 H LYS 30 HN LYS 30 4.796 -7.234 4.626 240 HA LYS 30 HA LYS 30 2.049 -8.284 4.779 241 HB2 LYS 30 HB2 LYS 30 3.618 -6.885 6.952 242 HB3 LYS 30 HB1 LYS 30 2.002 -7.547 7.098 243 HG2 LYS 30 HG2 LYS 30 2.858 -9.796 6.782 244 HG3 LYS 30 HG1 LYS 30 4.485 -9.153 6.549 245 HD2 LYS 30 HD2 LYS 30 3.090 -8.393 9.053 246 HD3 LYS 30 HD1 LYS 30 3.602 -10.074 8.910 247 HE2 LYS 30 HE2 LYS 30 5.891 -9.337 8.451 248 HE3 LYS 30 HE1 LYS 30 5.380 -7.656 8.581 249 HZ1 LYS 30 HZ1 LYS 30 4.778 -8.057 10.888 250 HZ2 LYS 30 HZ2 LYS 30 6.407 -8.427 10.624 251 HZ3 LYS 30 HZ3 LYS 30 5.270 -9.671 10.761 252 H VAL 31 HN VAL 31 0.343 -6.781 5.123 253 HA VAL 31 HA VAL 31 0.895 -4.119 4.006 254 HB VAL 31 HB VAL 31 -1.843 -5.366 4.334 255 HG11 VAL 31 HG11 VAL 31 -0.860 -3.169 2.513 256 HG12 VAL 31 HG12 VAL 31 -1.807 -2.945 3.984 257 HG13 VAL 31 HG13 VAL 31 -2.511 -3.784 2.601 258 HG21 VAL 31 HG21 VAL 31 -0.053 -5.511 1.907 259 HG22 VAL 31 HG22 VAL 31 -1.739 -6.025 1.974 260 HG23 VAL 31 HG23 VAL 31 -0.522 -6.864 2.936 261 H TYR 32 HN TYR 32 0.138 -2.235 4.999 262 HA TYR 32 HA TYR 32 -0.699 -2.510 7.820 263 HB2 TYR 32 HB2 TYR 32 1.185 -0.442 6.657 264 HB3 TYR 32 HB1 TYR 32 0.631 -0.487 8.324 265 HD1 TYR 32 HD2 TYR 32 2.503 -2.516 5.815 266 HD2 TYR 32 HD1 TYR 32 1.903 -1.611 9.926 267 HE1 TYR 32 HE2 TYR 32 4.435 -3.913 6.388 268 HE2 TYR 32 HE1 TYR 32 3.842 -3.001 10.517 269 HH TYR 32 HH TYR 32 5.126 -4.872 9.574 270 H HIS 33 HN HIS 33 -2.182 -1.034 8.619 271 HA HIS 33 HA HIS 33 -4.043 0.160 6.843 272 HB2 HIS 33 HB2 HIS 33 -3.598 0.253 9.810 273 HB3 HIS 33 HB1 HIS 33 -4.745 1.360 9.079 274 HD2 HIS 33 HD2 HIS 33 -6.557 -0.479 7.268 275 HE1 HIS 33 HE1 HIS 33 -6.839 -3.070 10.613 276 HE2 HIS 33 HE2 HIS 33 -7.946 -2.283 8.492 277 H LEU 34 HN LEU 34 -4.605 2.495 6.691 278 HA LEU 34 HA LEU 34 -2.351 4.137 6.221 279 HB2 LEU 34 HB2 LEU 34 -3.907 5.949 5.773 280 HB3 LEU 34 HB1 LEU 34 -4.425 4.474 4.992 281 HG LEU 34 HG LEU 34 -5.903 4.341 7.262 282 HD11 LEU 34 HD11 LEU 34 -5.119 6.469 8.126 283 HD12 LEU 34 HD12 LEU 34 -6.825 6.579 7.693 284 HD13 LEU 34 HD13 LEU 34 -5.601 7.276 6.635 285 HD21 LEU 34 HD21 LEU 34 -6.672 4.156 4.916 286 HD22 LEU 34 HD22 LEU 34 -6.675 5.918 4.813 287 HD23 LEU 34 HD23 LEU 34 -7.762 5.099 5.934 288 H GLU 35 HN GLU 35 -4.758 4.172 8.855 289 HA GLU 35 HA GLU 35 -3.600 6.273 10.354 290 HB2 GLU 35 HB2 GLU 35 -5.414 3.996 11.149 291 HB3 GLU 35 HB1 GLU 35 -4.916 5.250 12.273 292 HG2 GLU 35 HG2 GLU 35 -5.917 6.932 10.732 293 HG3 GLU 35 HG1 GLU 35 -6.538 5.596 9.765 294 H CYS 36 HN CYS 36 -2.878 2.866 10.158 295 HA CYS 36 HA CYS 36 -1.181 2.877 12.520 296 HB2 CYS 36 HB2 CYS 36 -1.536 0.628 10.537 297 HB3 CYS 36 HB1 CYS 36 -0.962 0.519 12.196 298 H PHE 37 HN PHE 37 -0.811 3.784 9.330 299 HA PHE 37 HA PHE 37 1.944 2.892 9.029 300 HB2 PHE 37 HB2 PHE 37 0.229 2.938 7.136 301 HB3 PHE 37 HB1 PHE 37 0.377 4.688 7.162 302 HD1 PHE 37 HD1 PHE 37 2.363 1.573 6.707 303 HD2 PHE 37 HD2 PHE 37 2.036 5.747 5.914 304 HE1 PHE 37 HE1 PHE 37 4.275 1.427 5.164 305 HE2 PHE 37 HE2 PHE 37 3.953 5.603 4.379 306 HZ PHE 37 HZ PHE 37 5.072 3.445 4.001 307 H LYS 38 HN LYS 38 2.022 4.283 11.197 308 HA LYS 38 HA LYS 38 3.029 6.954 10.474 309 HB2 LYS 38 HB2 LYS 38 2.412 7.673 12.807 310 HB3 LYS 38 HB1 LYS 38 1.054 7.334 11.749 311 HG2 LYS 38 HG2 LYS 38 0.739 5.165 12.840 312 HG3 LYS 38 HG1 LYS 38 2.116 5.496 13.894 313 HD2 LYS 38 HD2 LYS 38 0.943 7.448 14.802 314 HD3 LYS 38 HD1 LYS 38 -0.432 7.110 13.749 315 HE2 LYS 38 HE2 LYS 38 0.612 5.132 15.764 316 HE3 LYS 38 HE1 LYS 38 -0.628 6.323 16.151 317 HZ1 LYS 38 HZ1 LYS 38 -2.021 5.383 14.411 318 HZ2 LYS 38 HZ2 LYS 38 -1.602 4.199 15.544 319 HZ3 LYS 38 HZ3 LYS 38 -0.829 4.240 14.040 320 H CYS 39 HN CYS 39 4.698 7.831 11.926 321 HA CYS 39 HA CYS 39 6.878 6.057 12.241 322 HB2 CYS 39 HB2 CYS 39 7.041 8.518 11.774 323 HB3 CYS 39 HB1 CYS 39 6.580 8.812 13.445 324 H ALA 40 HN ALA 40 7.923 5.292 14.078 325 HA ALA 40 HA ALA 40 6.209 4.980 16.431 326 HB1 ALA 40 HB1 ALA 40 7.682 3.137 17.037 327 HB2 ALA 40 HB2 ALA 40 8.735 3.517 15.674 328 HB3 ALA 40 HB3 ALA 40 7.090 2.955 15.387 329 H ALA 41 HN ALA 41 8.715 6.959 15.444 330 HA ALA 41 HA ALA 41 9.874 7.218 18.124 331 HB1 ALA 41 HB1 ALA 41 10.837 8.440 15.545 332 HB2 ALA 41 HB2 ALA 41 11.413 6.915 16.216 333 HB3 ALA 41 HB3 ALA 41 11.686 8.422 17.090 334 H CYS 42 HN CYS 42 8.451 9.250 15.544 335 HA CYS 42 HA CYS 42 7.945 11.319 17.582 336 HB2 CYS 42 HB2 CYS 42 7.986 12.983 15.825 337 HB3 CYS 42 HB1 CYS 42 9.460 12.028 15.756 338 H GLN 43 HN GLN 43 6.415 8.934 15.901 339 HA GLN 43 HA GLN 43 4.273 8.318 15.544 340 HB2 GLN 43 HB2 GLN 43 3.785 10.632 17.399 341 HB3 GLN 43 HB1 GLN 43 2.453 9.710 16.722 342 HG2 GLN 43 HG2 GLN 43 4.690 8.367 18.197 343 HG3 GLN 43 HG1 GLN 43 3.322 9.080 19.050 344 HE21 GLN 43 HE21 GLN 43 4.370 6.553 16.909 345 HE22 GLN 43 HE22 GLN 43 2.949 5.578 17.031 346 H LYS 44 HN LYS 44 5.620 10.641 13.923 347 HA LYS 44 HA LYS 44 3.529 12.191 12.798 348 HB2 LYS 44 HB2 LYS 44 6.156 12.442 12.705 349 HB3 LYS 44 HB1 LYS 44 5.980 11.526 11.218 350 HG2 LYS 44 HG2 LYS 44 4.461 13.231 10.345 351 HG3 LYS 44 HG1 LYS 44 4.631 14.148 11.843 352 HD2 LYS 44 HD2 LYS 44 7.036 14.382 11.417 353 HD3 LYS 44 HD1 LYS 44 6.855 13.477 9.915 354 HE2 LYS 44 HE2 LYS 44 5.352 16.021 10.482 355 HE3 LYS 44 HE1 LYS 44 6.934 16.000 9.706 356 HZ1 LYS 44 HZ1 LYS 44 4.489 14.652 8.688 357 HZ2 LYS 44 HZ2 LYS 44 6.006 14.631 7.940 358 HZ3 LYS 44 HZ3 LYS 44 5.153 16.085 8.079 359 H HIS 45 HN HIS 45 2.853 12.102 10.491 360 HA HIS 45 HA HIS 45 2.223 9.331 9.742 361 HB2 HIS 45 HB2 HIS 45 0.885 11.956 9.060 362 HB3 HIS 45 HB1 HIS 45 0.456 10.433 8.289 363 HD1 HIS 45 HD1 HIS 45 -1.130 8.924 9.528 364 HD2 HIS 45 HD2 HIS 45 0.279 12.046 11.880 365 HE1 HIS 45 HE1 HIS 45 -2.489 8.839 11.642 366 HE2 HIS 45 HE2 HIS 45 -1.562 10.686 13.083 367 H PHE 46 HN PHE 46 2.323 8.667 7.554 368 HA PHE 46 HA PHE 46 4.414 10.055 6.024 369 HB2 PHE 46 HB2 PHE 46 3.545 7.169 6.063 370 HB3 PHE 46 HB1 PHE 46 4.651 7.814 4.862 371 HD1 PHE 46 HD1 PHE 46 4.232 7.619 8.572 372 HD2 PHE 46 HD2 PHE 46 6.911 7.655 5.264 373 HE1 PHE 46 HE1 PHE 46 6.101 7.197 10.097 374 HE2 PHE 46 HE2 PHE 46 8.795 7.233 6.789 375 HZ PHE 46 HZ PHE 46 8.392 7.003 9.210 376 H SER 47 HN SER 47 4.160 10.551 3.919 377 HA SER 47 HA SER 47 1.485 10.197 2.742 378 HB2 SER 47 HB2 SER 47 1.866 12.408 1.608 379 HB3 SER 47 HB1 SER 47 1.732 12.516 3.363 380 HG SER 47 HG SER 47 4.003 12.629 3.462 381 H VAL 48 HN VAL 48 1.429 10.279 0.360 382 HA VAL 48 HA VAL 48 3.297 8.501 -0.801 383 HB VAL 48 HB VAL 48 2.151 9.115 -3.000 384 HG11 VAL 48 HG11 VAL 48 1.576 7.141 -1.723 385 HG12 VAL 48 HG12 VAL 48 0.125 7.863 -2.415 386 HG13 VAL 48 HG13 VAL 48 0.492 8.086 -0.704 387 HG21 VAL 48 HG21 VAL 48 -0.017 10.263 -2.831 388 HG22 VAL 48 HG22 VAL 48 1.317 11.335 -2.406 389 HG23 VAL 48 HG23 VAL 48 0.313 10.632 -1.137 390 H GLY 49 HN GLY 49 5.038 8.761 -2.083 391 HA2 GLY 49 HA2 GLY 49 6.317 10.033 -3.697 392 HA3 GLY 49 HA1 GLY 49 5.776 11.499 -2.899 393 H ASP 50 HN ASP 50 6.302 10.265 -0.211 394 HA ASP 50 HA ASP 50 9.154 10.894 -0.119 395 HB2 ASP 50 HB2 ASP 50 7.040 10.668 2.024 396 HB3 ASP 50 HB1 ASP 50 8.747 10.890 2.389 397 H ARG 51 HN ARG 51 10.690 9.587 0.903 398 HA ARG 51 HA ARG 51 10.239 6.746 0.623 399 HB2 ARG 51 HB2 ARG 51 12.687 8.346 1.375 400 HB3 ARG 51 HB1 ARG 51 12.673 6.594 1.243 401 HG2 ARG 51 HG2 ARG 51 11.883 6.920 -1.141 402 HG3 ARG 51 HG1 ARG 51 12.287 8.624 -0.935 403 HD2 ARG 51 HD2 ARG 51 14.591 8.031 -0.415 404 HD3 ARG 51 HD1 ARG 51 14.197 6.318 -0.562 405 HE ARG 51 HE ARG 51 13.611 7.868 -2.919 406 HH11 ARG 51 HH11 ARG 51 16.091 6.006 -1.273 407 HH12 ARG 51 HH12 ARG 51 16.976 5.684 -2.726 408 HH21 ARG 51 HH21 ARG 51 14.784 7.434 -4.809 409 HH22 ARG 51 HH22 ARG 51 16.236 6.493 -4.726 410 H TYR 52 HN TYR 52 10.149 5.221 2.209 411 HA TYR 52 HA TYR 52 10.356 6.143 4.996 412 HB2 TYR 52 HB2 TYR 52 8.372 4.992 5.632 413 HB3 TYR 52 HB1 TYR 52 7.964 5.930 4.208 414 HD1 TYR 52 HD1 TYR 52 7.719 4.744 1.992 415 HD2 TYR 52 HD2 TYR 52 8.115 2.630 5.667 416 HE1 TYR 52 HE1 TYR 52 6.831 2.716 0.921 417 HE2 TYR 52 HE2 TYR 52 7.223 0.606 4.607 418 HH TYR 52 HH TYR 52 6.891 0.283 1.246 419 H LEU 53 HN LEU 53 10.892 4.547 6.555 420 HA LEU 53 HA LEU 53 12.266 2.200 5.425 421 HB2 LEU 53 HB2 LEU 53 13.696 3.957 6.520 422 HB3 LEU 53 HB1 LEU 53 12.871 3.615 8.027 423 HG LEU 53 HG LEU 53 13.841 1.142 7.031 424 HD11 LEU 53 HD11 LEU 53 16.262 1.612 6.993 425 HD12 LEU 53 HD12 LEU 53 15.901 3.338 7.004 426 HD13 LEU 53 HD13 LEU 53 15.399 2.342 5.639 427 HD21 LEU 53 HD21 LEU 53 13.452 1.781 9.373 428 HD22 LEU 53 HD22 LEU 53 14.835 2.870 9.290 429 HD23 LEU 53 HD23 LEU 53 15.072 1.131 9.115 430 H LEU 54 HN LEU 54 11.579 0.251 6.030 431 HA LEU 54 HA LEU 54 9.438 0.063 8.003 432 HB2 LEU 54 HB2 LEU 54 9.459 -0.992 5.618 433 HB3 LEU 54 HB1 LEU 54 10.462 -2.227 6.349 434 HG LEU 54 HG LEU 54 7.862 -1.604 7.671 435 HD11 LEU 54 HD11 LEU 54 8.111 -3.207 5.130 436 HD12 LEU 54 HD12 LEU 54 7.240 -1.686 5.325 437 HD13 LEU 54 HD13 LEU 54 6.684 -3.135 6.163 438 HD21 LEU 54 HD21 LEU 54 7.906 -4.012 8.097 439 HD22 LEU 54 HD22 LEU 54 9.393 -3.240 8.645 440 HD23 LEU 54 HD23 LEU 54 9.380 -4.160 7.140 441 H ILE 55 HN ILE 55 9.998 -0.255 10.035 442 HA ILE 55 HA ILE 55 12.468 -1.656 10.679 443 HB ILE 55 HB ILE 55 11.510 0.587 11.769 444 HG12 ILE 55 HG12 ILE 55 12.878 -0.173 13.894 445 HG13 ILE 55 HG11 ILE 55 13.256 -1.563 12.882 446 HG21 ILE 55 HG21 ILE 55 9.515 -0.511 12.749 447 HG22 ILE 55 HG22 ILE 55 10.544 0.282 13.943 448 HG23 ILE 55 HG23 ILE 55 10.592 -1.473 13.765 449 HD11 ILE 55 HD11 ILE 55 14.271 -0.162 11.232 450 HD12 ILE 55 HD12 ILE 55 14.948 0.249 12.808 451 HD13 ILE 55 HD13 ILE 55 13.734 1.294 12.069 452 H ASN 56 HN ASN 56 12.233 -3.018 12.841 453 HA ASN 56 HA ASN 56 11.197 -5.477 12.242 454 HB2 ASN 56 HB2 ASN 56 11.521 -4.327 15.017 455 HB3 ASN 56 HB1 ASN 56 11.447 -6.035 14.610 456 HD21 ASN 56 HD21 ASN 56 13.331 -3.118 14.402 457 HD22 ASN 56 HD22 ASN 56 14.841 -3.874 14.052 458 H SER 57 HN SER 57 9.447 -2.847 13.842 459 HA SER 57 HA SER 57 7.065 -4.580 13.894 460 HB2 SER 57 HB2 SER 57 7.945 -3.973 16.155 461 HB3 SER 57 HB1 SER 57 7.613 -2.283 15.783 462 HG SER 57 HG SER 57 5.917 -4.224 16.608 463 H ASP 58 HN ASP 58 7.880 -1.072 13.857 464 HA ASP 58 HA ASP 58 5.595 -0.686 12.031 465 HB2 ASP 58 HB2 ASP 58 6.558 1.009 14.327 466 HB3 ASP 58 HB1 ASP 58 5.511 1.664 13.073 467 H ILE 59 HN ILE 59 6.051 2.029 11.446 468 HA ILE 59 HA ILE 59 8.473 1.863 9.777 469 HB ILE 59 HB ILE 59 6.020 3.608 9.385 470 HG12 ILE 59 HG12 ILE 59 6.030 2.034 7.209 471 HG13 ILE 59 HG11 ILE 59 6.762 0.919 8.359 472 HG21 ILE 59 HG21 ILE 59 8.503 3.279 7.727 473 HG22 ILE 59 HG22 ILE 59 7.842 4.758 8.421 474 HG23 ILE 59 HG23 ILE 59 7.003 3.958 7.093 475 HD11 ILE 59 HD11 ILE 59 4.289 0.729 8.123 476 HD12 ILE 59 HD12 ILE 59 4.154 2.332 8.846 477 HD13 ILE 59 HD13 ILE 59 4.853 1.003 9.771 478 H VAL 60 HN VAL 60 9.987 3.479 9.808 479 HA VAL 60 HA VAL 60 9.620 5.631 11.795 480 HB VAL 60 HB VAL 60 12.303 4.396 11.119 481 HG11 VAL 60 HG11 VAL 60 11.418 6.161 13.405 482 HG12 VAL 60 HG12 VAL 60 12.423 6.647 12.040 483 HG13 VAL 60 HG13 VAL 60 13.029 5.472 13.207 484 HG21 VAL 60 HG21 VAL 60 10.653 3.794 13.571 485 HG22 VAL 60 HG22 VAL 60 12.210 3.093 13.127 486 HG23 VAL 60 HG23 VAL 60 10.772 2.726 12.174 487 H CYS 61 HN CYS 61 9.789 7.631 11.043 488 HA CYS 61 HA CYS 61 10.185 8.251 8.323 489 HB2 CYS 61 HB2 CYS 61 9.808 10.503 8.938 490 HB3 CYS 61 HB1 CYS 61 8.845 9.547 10.056 491 H GLU 62 HN GLU 62 11.781 9.684 7.374 492 HA GLU 62 HA GLU 62 14.444 8.897 7.769 493 HB2 GLU 62 HB2 GLU 62 13.225 11.207 6.272 494 HB3 GLU 62 HB1 GLU 62 14.958 10.915 6.288 495 HG2 GLU 62 HG2 GLU 62 14.600 8.710 5.303 496 HG3 GLU 62 HG1 GLU 62 12.860 8.998 5.291 497 H GLN 63 HN GLN 63 12.581 11.335 9.331 498 HA GLN 63 HA GLN 63 14.662 13.062 10.199 499 HB2 GLN 63 HB2 GLN 63 12.041 13.338 10.210 500 HB3 GLN 63 HB1 GLN 63 12.182 12.656 11.823 501 HG2 GLN 63 HG2 GLN 63 12.206 14.944 12.196 502 HG3 GLN 63 HG1 GLN 63 13.915 14.512 12.234 503 HE21 GLN 63 HE21 GLN 63 15.251 15.145 10.537 504 HE22 GLN 63 HE22 GLN 63 14.790 16.374 9.413 505 H ASP 64 HN ASP 64 13.173 10.184 11.631 506 HA ASP 64 HA ASP 64 15.129 10.259 13.838 507 HB2 ASP 64 HB2 ASP 64 12.626 8.576 13.793 508 HB3 ASP 64 HB1 ASP 64 13.616 9.008 15.177 509 H ILE 65 HN ILE 65 14.973 8.874 10.918 510 HA ILE 65 HA ILE 65 15.142 6.115 11.242 511 HB ILE 65 HB ILE 65 14.883 7.082 9.051 512 HG12 ILE 65 HG12 ILE 65 17.118 5.196 9.586 513 HG13 ILE 65 HG11 ILE 65 15.640 4.954 8.669 514 HG21 ILE 65 HG21 ILE 65 16.220 9.094 9.282 515 HG22 ILE 65 HG22 ILE 65 16.700 8.202 7.839 516 HG23 ILE 65 HG23 ILE 65 17.702 8.137 9.288 517 HD11 ILE 65 HD11 ILE 65 17.632 4.785 7.273 518 HD12 ILE 65 HD12 ILE 65 18.081 6.433 7.714 519 HD13 ILE 65 HD13 ILE 65 16.611 6.138 6.778 520 H TYR 66 HN TYR 66 17.907 8.383 11.098 521 HA TYR 66 HA TYR 66 19.945 6.518 11.449 522 HB2 TYR 66 HB2 TYR 66 20.259 8.849 10.670 523 HB3 TYR 66 HB1 TYR 66 19.941 9.425 12.300 524 HD1 TYR 66 HD1 TYR 66 21.583 9.085 14.080 525 HD2 TYR 66 HD2 TYR 66 22.387 7.853 10.089 526 HE1 TYR 66 HE1 TYR 66 23.955 8.879 14.637 527 HE2 TYR 66 HE2 TYR 66 24.779 7.645 10.634 528 HH TYR 66 HH TYR 66 26.378 8.535 12.283 529 H GLU 67 HN GLU 67 18.458 8.593 13.967 530 HA GLU 67 HA GLU 67 19.928 7.543 16.132 531 HB2 GLU 67 HB2 GLU 67 17.340 9.075 15.983 532 HB3 GLU 67 HB1 GLU 67 18.032 8.566 17.516 533 HG2 GLU 67 HG2 GLU 67 20.060 9.836 17.024 534 HG3 GLU 67 HG1 GLU 67 19.365 10.346 15.486 535 H TRP 68 HN TRP 68 16.744 6.630 14.828 536 HA TRP 68 HA TRP 68 16.005 4.864 16.911 537 HB2 TRP 68 HB2 TRP 68 14.425 5.847 15.253 538 HB3 TRP 68 HB1 TRP 68 15.106 4.792 14.021 539 HD1 TRP 68 HD1 TRP 68 14.423 2.243 14.069 540 HE1 TRP 68 HE1 TRP 68 12.532 0.959 15.255 541 HE3 TRP 68 HE3 TRP 68 13.033 5.797 17.481 542 HZ2 TRP 68 HZ2 TRP 68 10.700 1.392 17.356 543 HZ3 TRP 68 HZ3 TRP 68 11.205 5.277 19.042 544 HH2 TRP 68 HH2 TRP 68 10.063 3.120 18.980 545 H THR 69 HN THR 69 17.348 4.133 13.670 546 HA THR 69 HA THR 69 17.611 1.351 14.018 547 HB THR 69 HB THR 69 19.323 1.496 12.161 548 HG1 THR 69 HG1 THR 69 20.183 3.485 12.246 549 HG21 THR 69 HG21 THR 69 16.674 2.874 11.701 550 HG22 THR 69 HG22 THR 69 16.955 1.133 11.685 551 HG23 THR 69 HG23 THR 69 17.690 2.157 10.451 552 H LYS 70 HN LYS 70 19.612 4.001 14.965 553 HA LYS 70 HA LYS 70 22.067 2.680 15.415 554 HB2 LYS 70 HB2 LYS 70 21.405 5.217 15.293 555 HB3 LYS 70 HB1 LYS 70 21.186 5.046 17.026 556 HG2 LYS 70 HG2 LYS 70 23.461 4.548 17.367 557 HG3 LYS 70 HG1 LYS 70 23.737 4.287 15.643 558 HD2 LYS 70 HD2 LYS 70 23.333 6.645 15.198 559 HD3 LYS 70 HD1 LYS 70 22.974 6.921 16.902 560 HE2 LYS 70 HE2 LYS 70 25.192 7.660 16.546 561 HE3 LYS 70 HE1 LYS 70 25.305 6.129 17.411 562 HZ1 LYS 70 HZ1 LYS 70 25.775 5.022 15.310 563 HZ2 LYS 70 HZ2 LYS 70 26.908 6.242 15.611 564 HZ3 LYS 70 HZ3 LYS 70 25.672 6.497 14.485 565 H ILE 71 HN ILE 71 19.264 3.233 17.510 566 HA ILE 71 HA ILE 71 20.588 2.150 19.850 567 HB ILE 71 HB ILE 71 17.655 2.827 19.649 568 HG12 ILE 71 HG12 ILE 71 18.805 4.834 18.928 569 HG13 ILE 71 HG11 ILE 71 18.208 5.081 20.559 570 HG21 ILE 71 HG21 ILE 71 19.516 2.723 22.020 571 HG22 ILE 71 HG22 ILE 71 18.239 1.571 21.629 572 HG23 ILE 71 HG23 ILE 71 17.827 3.228 22.069 573 HD11 ILE 71 HD11 ILE 71 21.066 4.493 19.791 574 HD12 ILE 71 HD12 ILE 71 20.474 4.739 21.434 575 HD13 ILE 71 HD13 ILE 71 20.412 6.060 20.268 576 H ASN 72 HN ASN 72 17.851 1.099 17.772 577 HA ASN 72 HA ASN 72 17.793 -1.441 19.218 578 HB2 ASN 72 HB2 ASN 72 15.736 -1.896 17.781 579 HB3 ASN 72 HB1 ASN 72 15.611 -0.618 18.981 580 HD21 ASN 72 HD21 ASN 72 14.996 1.343 18.343 581 HD22 ASN 72 HD22 ASN 72 14.788 1.838 16.701 582 H GLY 73 HN GLY 73 18.690 -0.216 16.064 583 HA2 GLY 73 HA2 GLY 73 18.952 -2.911 14.965 584 HA3 GLY 73 HA1 GLY 73 19.217 -1.406 14.099 585 H GLY 74 HN GLY 74 20.768 -4.040 14.807 586 HA2 GLY 74 HA2 GLY 74 23.316 -3.326 14.288 587 HA3 GLY 74 HA1 GLY 74 23.192 -3.007 16.012 588 H SER 75 HN SER 75 21.835 -5.003 17.063 589 HA SER 75 HA SER 75 23.143 -7.484 16.169 590 HB2 SER 75 HB2 SER 75 23.385 -8.094 18.596 591 HB3 SER 75 HB1 SER 75 24.386 -6.734 18.091 592 HG SER 75 HG SER 75 21.836 -6.215 19.125 593 H GLY 76 HN GLY 76 21.888 -9.250 16.072 594 HA2 GLY 76 HA2 GLY 76 19.431 -9.475 17.585 595 HA3 GLY 76 HA1 GLY 76 19.195 -9.254 15.858 596 H GLY 77 HN GLY 77 18.358 -11.232 15.384 597 HA2 GLY 77 HA2 GLY 77 19.915 -13.618 16.113 598 HA3 GLY 77 HA1 GLY 77 18.241 -13.611 15.580 599 H SER 78 HN SER 78 20.710 -15.043 14.649 600 HA SER 78 HA SER 78 21.504 -15.931 12.728 601 HB2 SER 78 HB2 SER 78 19.387 -14.276 11.331 602 HB3 SER 78 HB1 SER 78 20.367 -15.526 10.565 603 HG SER 78 HG SER 78 18.591 -16.603 11.157 604 H GLY 79 HN GLY 79 20.879 -12.445 12.242 605 HA2 GLY 79 HA2 GLY 79 23.187 -11.251 12.282 606 HA3 GLY 79 HA1 GLY 79 23.454 -12.223 10.842 607 H GLY 80 HN GLY 80 23.709 -10.395 9.543 608 HA2 GLY 80 HA2 GLY 80 21.218 -9.296 8.546 609 HA3 GLY 80 HA1 GLY 80 22.294 -8.120 9.282 610 H SER 81 HN SER 81 21.390 -8.270 6.533 611 HA SER 81 HA SER 81 23.998 -8.560 5.192 612 HB2 SER 81 HB2 SER 81 21.267 -9.158 4.027 613 HB3 SER 81 HB1 SER 81 22.787 -9.209 3.134 614 HG SER 81 HG SER 81 22.998 -11.162 3.843 615 H GLY 82 HN GLY 82 20.881 -6.859 5.221 616 HA2 GLY 82 HA2 GLY 82 21.671 -4.296 5.058 617 HA3 GLY 82 HA1 GLY 82 21.828 -4.818 3.388 618 H GLY 83 HN GLY 83 20.117 -2.761 4.231 619 HA2 GLY 83 HA2 GLY 83 17.507 -3.938 3.525 620 HA3 GLY 83 HA1 GLY 83 17.629 -2.789 4.849 621 H ASP 84 HN ASP 84 16.367 -2.883 2.026 622 HA ASP 84 HA ASP 84 17.516 -0.419 0.921 623 HB2 ASP 84 HB2 ASP 84 15.631 -2.475 -0.240 624 HB3 ASP 84 HB1 ASP 84 15.992 -0.950 -1.040 625 H VAL 85 HN VAL 85 16.210 1.375 0.405 626 HA VAL 85 HA VAL 85 13.854 1.648 2.134 627 HB VAL 85 HB VAL 85 15.208 3.931 0.685 628 HG11 VAL 85 HG11 VAL 85 14.232 5.305 2.427 629 HG12 VAL 85 HG12 VAL 85 13.605 3.874 3.244 630 HG13 VAL 85 HG13 VAL 85 12.974 4.333 1.663 631 HG21 VAL 85 HG21 VAL 85 15.918 2.857 3.415 632 HG22 VAL 85 HG22 VAL 85 16.500 4.375 2.733 633 HG23 VAL 85 HG23 VAL 85 16.949 2.843 1.985 634 H MET 86 HN MET 86 11.866 1.908 1.354 635 HA MET 86 HA MET 86 11.518 2.232 -1.556 636 HB2 MET 86 HB2 MET 86 10.045 0.473 0.394 637 HB3 MET 86 HB1 MET 86 9.337 0.928 -1.149 638 HG2 MET 86 HG2 MET 86 11.230 -0.092 -2.316 639 HG3 MET 86 HG1 MET 86 11.929 -0.555 -0.766 640 HE1 MET 86 HE1 MET 86 12.104 -3.042 -1.714 641 HE2 MET 86 HE2 MET 86 11.315 -2.583 -3.224 642 HE3 MET 86 HE3 MET 86 10.723 -3.967 -2.304 643 H VAL 87 HN VAL 87 9.546 3.275 -2.250 644 HA VAL 87 HA VAL 87 8.747 5.439 -0.474 645 HB VAL 87 HB VAL 87 7.618 5.262 -3.223 646 HG11 VAL 87 HG11 VAL 87 8.068 7.672 -3.191 647 HG12 VAL 87 HG12 VAL 87 8.834 7.494 -1.614 648 HG13 VAL 87 HG13 VAL 87 7.116 7.152 -1.802 649 HG21 VAL 87 HG21 VAL 87 9.908 4.545 -3.658 650 HG22 VAL 87 HG22 VAL 87 10.528 5.929 -2.757 651 HG23 VAL 87 HG23 VAL 87 9.646 6.180 -4.264 652 H VAL 88 HN VAL 88 6.539 5.970 -0.064 653 HA VAL 88 HA VAL 88 4.851 3.767 0.509 654 HB VAL 88 HB VAL 88 3.833 6.602 0.319 655 HG11 VAL 88 HG11 VAL 88 3.152 4.321 2.173 656 HG12 VAL 88 HG12 VAL 88 2.177 4.893 0.819 657 HG13 VAL 88 HG13 VAL 88 2.435 5.932 2.220 658 HG21 VAL 88 HG21 VAL 88 5.944 6.744 1.522 659 HG22 VAL 88 HG22 VAL 88 5.437 5.442 2.597 660 HG23 VAL 88 HG23 VAL 88 4.589 6.988 2.624 661 H GLY 89 HN GLY 89 3.901 2.561 -0.967 662 HA2 GLY 89 HA2 GLY 89 3.334 3.327 -3.634 663 HA3 GLY 89 HA1 GLY 89 2.788 1.859 -2.848 664 H GLU 90 HN GLU 90 1.355 3.487 -4.740 665 HA GLU 90 HA GLU 90 -0.614 5.094 -3.507 666 HB2 GLU 90 HB2 GLU 90 0.106 4.785 -6.032 667 HB3 GLU 90 HB1 GLU 90 -1.199 3.609 -6.033 668 HG2 GLU 90 HG2 GLU 90 -2.775 5.322 -5.345 669 HG3 GLU 90 HG1 GLU 90 -1.474 6.508 -5.263 670 HA PRO 91 HA PRO 91 -3.196 1.798 -1.814 671 HB2 PRO 91 HB2 PRO 91 -5.443 3.593 -1.547 672 HB3 PRO 91 HB1 PRO 91 -4.394 2.951 -0.282 673 HG2 PRO 91 HG2 PRO 91 -4.438 5.586 -1.009 674 HG3 PRO 91 HG1 PRO 91 -3.024 4.785 -0.303 675 HD2 PRO 91 HD2 PRO 91 -3.599 5.450 -3.166 676 HD3 PRO 91 HD1 PRO 91 -2.074 5.557 -2.261 677 H THR 92 HN THR 92 -4.854 0.425 -2.405 678 HA THR 92 HA THR 92 -6.310 1.139 -4.857 679 HB THR 92 HB THR 92 -4.837 -0.491 -5.621 680 HG1 THR 92 HG1 THR 92 -6.336 -2.474 -5.694 681 HG21 THR 92 HG21 THR 92 -4.428 -2.673 -4.553 682 HG22 THR 92 HG22 THR 92 -5.471 -2.202 -3.212 683 HG23 THR 92 HG23 THR 92 -3.962 -1.338 -3.500 684 H LEU 93 HN LEU 93 -8.364 1.043 -4.839 685 HA LEU 93 HA LEU 93 -9.880 0.565 -2.494 686 HB2 LEU 93 HB2 LEU 93 -10.353 2.096 -4.548 687 HB3 LEU 93 HB1 LEU 93 -11.095 0.667 -5.236 688 HG LEU 93 HG LEU 93 -11.990 1.508 -2.520 689 HD11 LEU 93 HD11 LEU 93 -13.583 3.097 -3.478 690 HD12 LEU 93 HD12 LEU 93 -12.824 2.903 -5.059 691 HD13 LEU 93 HD13 LEU 93 -11.918 3.620 -3.727 692 HD21 LEU 93 HD21 LEU 93 -13.415 0.422 -4.950 693 HD22 LEU 93 HD22 LEU 93 -14.141 0.707 -3.368 694 HD23 LEU 93 HD23 LEU 93 -12.885 -0.517 -3.553 695 H MET 94 HN MET 94 -10.193 -1.367 -1.644 696 HA MET 94 HA MET 94 -10.394 -3.625 -1.369 697 HB2 MET 94 HB2 MET 94 -12.681 -2.804 -3.113 698 HB3 MET 94 HB1 MET 94 -12.507 -4.487 -2.638 699 HG2 MET 94 HG2 MET 94 -12.650 -2.174 -0.720 700 HG3 MET 94 HG1 MET 94 -14.015 -3.193 -1.175 701 HE1 MET 94 HE1 MET 94 -14.511 -3.682 1.326 702 HE2 MET 94 HE2 MET 94 -13.125 -2.762 1.912 703 HE3 MET 94 HE3 MET 94 -13.378 -4.419 2.458 704 H GLY 95 HN GLY 95 -8.824 -4.925 -2.013 705 HA2 GLY 95 HA2 GLY 95 -8.480 -6.898 -3.459 706 HA3 GLY 95 HA1 GLY 95 -8.845 -5.851 -4.821 707 H GLY 96 HN GLY 96 -6.793 -6.677 -5.643 708 HA2 GLY 96 HA2 GLY 96 -4.410 -5.514 -4.368 709 HA3 GLY 96 HA1 GLY 96 -4.406 -6.793 -5.572 710 H GLU 97 HN GLU 97 -3.368 -6.072 -7.301 711 HA GLU 97 HA GLU 97 -3.708 -3.292 -8.157 712 HB2 GLU 97 HB2 GLU 97 -1.686 -5.417 -8.841 713 HB3 GLU 97 HB1 GLU 97 -1.817 -3.928 -9.765 714 HG2 GLU 97 HG2 GLU 97 -1.340 -2.627 -7.766 715 HG3 GLU 97 HG1 GLU 97 -1.252 -4.107 -6.812 716 H PHE 98 HN PHE 98 -4.540 -2.704 -10.100 717 HA PHE 98 HA PHE 98 -5.993 -4.775 -11.580 718 HB2 PHE 98 HB2 PHE 98 -6.288 -1.768 -11.501 719 HB3 PHE 98 HB1 PHE 98 -7.184 -2.797 -12.612 720 HD1 PHE 98 HD2 PHE 98 -6.784 -1.752 -9.135 721 HD2 PHE 98 HD1 PHE 98 -8.957 -4.238 -11.819 722 HE1 PHE 98 HE2 PHE 98 -8.503 -2.103 -7.410 723 HE2 PHE 98 HE1 PHE 98 -10.681 -4.593 -10.099 724 HZ PHE 98 HZ PHE 98 -10.456 -3.526 -7.892 725 H GLY 99 HN GLY 99 -3.711 -2.106 -12.081 726 HA2 GLY 99 HA2 GLY 99 -3.259 -3.062 -14.838 727 HA3 GLY 99 HA1 GLY 99 -2.951 -1.422 -14.286 728 H ASP 100 HN ASP 100 -0.876 -0.965 -14.112 729 HA ASP 100 HA ASP 100 0.957 -2.824 -12.847 730 HB2 ASP 100 HB2 ASP 100 0.898 -3.063 -15.497 731 HB3 ASP 100 HB1 ASP 100 1.926 -1.636 -15.420 732 H GLU 101 HN GLU 101 1.276 -1.458 -11.195 733 HA GLU 101 HA GLU 101 1.868 1.346 -11.565 734 HB2 GLU 101 HB2 GLU 101 1.710 -0.434 -9.139 735 HB3 GLU 101 HB1 GLU 101 2.245 1.236 -9.035 736 HG2 GLU 101 HG2 GLU 101 -0.003 1.356 -8.494 737 HG3 GLU 101 HG1 GLU 101 0.025 1.807 -10.196 738 H ASP 102 HN ASP 102 3.698 -1.553 -11.394 739 HA ASP 102 HA ASP 102 6.152 -0.312 -10.482 740 HB2 ASP 102 HB2 ASP 102 5.487 -3.093 -11.443 741 HB3 ASP 102 HB1 ASP 102 7.125 -2.594 -11.034 742 H GLU 103 HN GLU 103 4.581 -0.834 -13.496 743 HA GLU 103 HA GLU 103 7.005 -0.682 -15.091 744 HB2 GLU 103 HB2 GLU 103 4.741 -1.974 -15.575 745 HB3 GLU 103 HB1 GLU 103 4.276 -0.437 -16.286 746 HG2 GLU 103 HG2 GLU 103 5.107 -1.632 -18.087 747 HG3 GLU 103 HG1 GLU 103 6.472 -0.623 -17.615 748 H ARG 104 HN ARG 104 4.234 1.375 -14.284 749 HA ARG 104 HA ARG 104 5.226 3.557 -15.920 750 HB2 ARG 104 HB2 ARG 104 3.186 4.760 -15.137 751 HB3 ARG 104 HB1 ARG 104 2.853 3.242 -15.949 752 HG2 ARG 104 HG2 ARG 104 2.439 2.165 -13.797 753 HG3 ARG 104 HG1 ARG 104 2.814 3.675 -12.963 754 HD2 ARG 104 HD2 ARG 104 0.942 4.762 -14.127 755 HD3 ARG 104 HD1 ARG 104 0.561 3.234 -14.920 756 HE ARG 104 HE ARG 104 0.560 2.746 -12.190 757 HH11 ARG 104 HH11 ARG 104 -1.296 4.714 -14.429 758 HH12 ARG 104 HH12 ARG 104 -2.737 4.651 -13.471 759 HH21 ARG 104 HH21 ARG 104 -1.339 2.677 -10.952 760 HH22 ARG 104 HH22 ARG 104 -2.759 3.499 -11.504 761 H LEU 105 HN LEU 105 6.337 2.454 -13.155 762 HA LEU 105 HA LEU 105 6.484 4.963 -11.668 763 HB2 LEU 105 HB2 LEU 105 6.121 2.595 -10.665 764 HB3 LEU 105 HB1 LEU 105 7.847 2.399 -10.890 765 HG LEU 105 HG LEU 105 7.954 4.660 -9.520 766 HD11 LEU 105 HD11 LEU 105 5.543 5.000 -9.411 767 HD12 LEU 105 HD12 LEU 105 6.220 4.761 -7.800 768 HD13 LEU 105 HD13 LEU 105 5.351 3.448 -8.596 769 HD21 LEU 105 HD21 LEU 105 7.428 1.961 -8.283 770 HD22 LEU 105 HD22 LEU 105 8.189 3.331 -7.474 771 HD23 LEU 105 HD23 LEU 105 8.985 2.566 -8.849 772 H ILE 106 HN ILE 106 8.608 2.676 -13.337 773 HA ILE 106 HA ILE 106 10.773 2.670 -13.962 774 HB ILE 106 HB ILE 106 11.575 4.666 -15.237 775 HG12 ILE 106 HG12 ILE 106 9.498 6.247 -15.798 776 HG13 ILE 106 HG11 ILE 106 9.077 5.877 -14.129 777 HG21 ILE 106 HG21 ILE 106 8.847 3.592 -15.911 778 HG22 ILE 106 HG22 ILE 106 10.402 2.866 -16.316 779 HG23 ILE 106 HG23 ILE 106 9.932 4.403 -17.039 780 HD11 ILE 106 HD11 ILE 106 11.245 6.730 -13.398 781 HD12 ILE 106 HD12 ILE 106 10.328 7.948 -14.286 782 HD13 ILE 106 HD13 ILE 106 11.661 7.101 -15.071 783 H THR 107 HN THR 107 12.984 3.910 -13.961 784 HA THR 107 HA THR 107 13.457 4.794 -11.187 785 HB THR 107 HB THR 107 15.855 4.058 -11.633 786 HG1 THR 107 HG1 THR 107 15.691 2.237 -13.335 787 HG21 THR 107 HG21 THR 107 13.698 1.943 -11.647 788 HG22 THR 107 HG22 THR 107 14.342 2.759 -10.222 789 HG23 THR 107 HG23 THR 107 15.379 1.695 -11.172 790 H ARG 108 HN ARG 108 14.863 6.504 -10.788 791 HA ARG 108 HA ARG 108 15.272 8.315 -13.069 792 HB2 ARG 108 HB2 ARG 108 13.934 8.877 -10.843 793 HB3 ARG 108 HB1 ARG 108 15.546 9.231 -10.240 794 HG2 ARG 108 HG2 ARG 108 15.870 10.855 -12.036 795 HG3 ARG 108 HG1 ARG 108 14.258 10.491 -12.654 796 HD2 ARG 108 HD2 ARG 108 13.281 11.256 -10.543 797 HD3 ARG 108 HD1 ARG 108 14.893 11.620 -9.929 798 HE ARG 108 HE ARG 108 14.558 13.003 -12.330 799 HH11 ARG 108 HH11 ARG 108 13.205 13.056 -9.090 800 HH12 ARG 108 HH12 ARG 108 12.825 14.745 -9.153 801 HH21 ARG 108 HH21 ARG 108 14.052 15.211 -12.391 802 HH22 ARG 108 HH22 ARG 108 13.303 15.963 -11.021 803 H LEU 109 HN LEU 109 17.242 9.386 -13.355 804 HA LEU 109 HA LEU 109 19.555 7.989 -12.210 805 HB2 LEU 109 HB2 LEU 109 19.269 9.734 -14.657 806 HB3 LEU 109 HB1 LEU 109 20.806 9.125 -14.079 807 HG LEU 109 HG LEU 109 18.623 7.168 -14.664 808 HD11 LEU 109 HD11 LEU 109 20.367 8.471 -16.751 809 HD12 LEU 109 HD12 LEU 109 18.614 8.620 -16.612 810 HD13 LEU 109 HD13 LEU 109 19.339 7.061 -17.005 811 HD21 LEU 109 HD21 LEU 109 21.625 7.108 -14.983 812 HD22 LEU 109 HD22 LEU 109 20.527 5.764 -15.298 813 HD23 LEU 109 HD23 LEU 109 20.708 6.389 -13.659 814 H GLU 110 HN GLU 110 21.283 9.079 -11.293 815 HA GLU 110 HA GLU 110 20.728 11.852 -10.458 816 HB2 GLU 110 HB2 GLU 110 22.135 9.599 -9.032 817 HB3 GLU 110 HB1 GLU 110 22.303 11.275 -8.527 818 HG2 GLU 110 HG2 GLU 110 19.889 11.408 -8.167 819 HG3 GLU 110 HG1 GLU 110 19.724 9.726 -8.670 820 H ASN 111 HN ASN 111 22.437 13.337 -10.362 821 HA ASN 111 HA ASN 111 24.638 12.735 -12.203 822 HB2 ASN 111 HB2 ASN 111 23.465 15.342 -11.223 823 HB3 ASN 111 HB1 ASN 111 24.948 15.256 -12.169 824 HD21 ASN 111 HD21 ASN 111 24.848 14.640 -14.328 825 HD22 ASN 111 HD22 ASN 111 23.366 14.647 -15.216 826 H THR 112 HN THR 112 26.779 13.078 -11.683 827 HA THR 112 HA THR 112 27.363 13.357 -8.807 828 HB THR 112 HB THR 112 29.552 12.196 -9.402 829 HG1 THR 112 HG1 THR 112 28.140 11.961 -11.830 830 HG21 THR 112 HG21 THR 112 27.754 11.044 -8.215 831 HG22 THR 112 HG22 THR 112 28.554 9.954 -9.347 832 HG23 THR 112 HG23 THR 112 26.983 10.645 -9.751 833 H GLN 113 HN GLN 113 29.074 14.638 -8.131 834 HA GLN 113 HA GLN 113 30.131 16.522 -10.139 835 HB2 GLN 113 HB2 GLN 113 28.471 17.264 -8.203 836 HB3 GLN 113 HB1 GLN 113 29.949 17.276 -7.253 837 HG2 GLN 113 HG2 GLN 113 30.951 18.854 -8.828 838 HG3 GLN 113 HG1 GLN 113 29.468 18.841 -9.782 839 HE21 GLN 113 HE21 GLN 113 30.975 19.888 -6.832 840 HE22 GLN 113 HE22 GLN 113 29.750 21.012 -6.366 841 H PHE 114 HN PHE 114 32.286 17.104 -10.024 842 HA PHE 114 HA PHE 114 33.962 15.650 -8.087 843 HB2 PHE 114 HB2 PHE 114 34.394 15.942 -11.062 844 HB3 PHE 114 HB1 PHE 114 35.667 15.446 -9.953 845 HD1 PHE 114 HD2 PHE 114 32.550 14.469 -11.588 846 HD2 PHE 114 HD1 PHE 114 35.627 13.265 -8.908 847 HE1 PHE 114 HE2 PHE 114 31.795 12.134 -11.777 848 HE2 PHE 114 HE1 PHE 114 34.879 10.928 -9.092 849 HZ PHE 114 HZ PHE 114 32.961 10.361 -10.528 850 H ASP 115 HN ASP 115 35.920 16.634 -7.497 851 HA ASP 115 HA ASP 115 37.301 18.312 -6.866 852 HB2 ASP 115 HB2 ASP 115 36.511 19.463 -9.547 853 HB3 ASP 115 HB1 ASP 115 37.727 20.189 -8.502 854 H ALA 116 HN ALA 116 37.033 19.724 -5.303 855 HA ALA 116 HA ALA 116 34.588 21.363 -5.265 856 HB1 ALA 116 HB1 ALA 116 36.330 20.509 -2.954 857 HB2 ALA 116 HB2 ALA 116 34.802 19.763 -3.423 858 HB3 ALA 116 HB3 ALA 116 34.828 21.427 -2.843 859 H ALA 117 HN ALA 117 38.084 21.465 -4.713 860 HA ALA 117 HA ALA 117 38.022 24.375 -4.423 861 HB1 ALA 117 HB1 ALA 117 40.335 22.460 -4.140 862 HB2 ALA 117 HB2 ALA 117 39.349 23.086 -2.818 863 HB3 ALA 117 HB3 ALA 117 40.356 24.184 -3.763 864 H ASN 118 HN ASN 118 39.276 21.856 -6.559 865 HA ASN 118 HA ASN 118 40.058 21.827 -8.685 866 HB2 ASN 118 HB2 ASN 118 38.721 24.535 -8.823 867 HB3 ASN 118 HB1 ASN 118 39.459 23.746 -10.213 868 HD21 ASN 118 HD21 ASN 118 38.500 21.906 -11.077 869 HD22 ASN 118 HD22 ASN 118 36.870 21.463 -10.712 870 H GLY 119 HN GLY 119 42.069 21.940 -9.371 871 HA2 GLY 119 HA2 GLY 119 43.599 24.406 -9.201 872 HA3 GLY 119 HA1 GLY 119 44.187 23.084 -8.205 873 H ILE 120 HN ILE 120 45.717 24.252 -10.210 874 HA ILE 120 HA ILE 120 45.739 22.219 -12.335 875 HB ILE 120 HB ILE 120 47.419 23.924 -13.420 876 HG12 ILE 120 HG12 ILE 120 46.310 26.292 -12.925 877 HG13 ILE 120 HG11 ILE 120 46.033 25.577 -11.343 878 HG21 ILE 120 HG21 ILE 120 44.435 24.313 -13.377 879 HG22 ILE 120 HG22 ILE 120 45.346 23.220 -14.417 880 HG23 ILE 120 HG23 ILE 120 45.527 24.965 -14.599 881 HD11 ILE 120 HD11 ILE 120 48.711 25.837 -12.690 882 HD12 ILE 120 HD12 ILE 120 48.408 25.198 -11.074 883 HD13 ILE 120 HD13 ILE 120 48.086 26.895 -11.425 884 H ASP 121 HN ASP 121 47.803 23.858 -9.976 885 HA ASP 121 HA ASP 121 49.706 21.630 -10.200 886 HB2 ASP 121 HB2 ASP 121 50.393 24.570 -10.144 887 HB3 ASP 121 HB1 ASP 121 51.560 23.315 -9.745 888 H ASP 122 HN ASP 122 48.518 24.333 -8.239 889 HA ASP 122 HA ASP 122 49.516 23.019 -5.809 890 HB2 ASP 122 HB2 ASP 122 49.894 25.544 -6.423 891 HB3 ASP 122 HB1 ASP 122 48.250 25.739 -5.827 892 H GLU 123 HN GLU 123 48.184 22.052 -4.422 893 HA GLU 123 HA GLU 123 46.347 21.180 -3.433 894 HB2 GLU 123 HB2 GLU 123 45.159 23.842 -4.223 895 HB3 GLU 123 HB1 GLU 123 44.275 22.648 -3.286 896 HG2 GLU 123 HG2 GLU 123 46.947 23.660 -2.386 897 HG3 GLU 123 HG1 GLU 123 45.464 24.546 -2.041 Start of MODEL 7 1 H TYR 1 HT1 TYR 1 -18.110 -12.547 -1.897 2 HA TYR 1 HA TYR 1 -18.438 -13.879 0.080 3 HB2 TYR 1 HB2 TYR 1 -18.211 -15.392 -2.528 4 HB3 TYR 1 HB1 TYR 1 -18.997 -16.043 -1.094 5 HD1 TYR 1 HD2 TYR 1 -21.140 -15.168 -0.342 6 HD2 TYR 1 HD1 TYR 1 -19.242 -13.609 -3.815 7 HE1 TYR 1 HE2 TYR 1 -23.247 -14.081 -0.998 8 HE2 TYR 1 HE1 TYR 1 -21.342 -12.516 -4.480 9 HH TYR 1 HH TYR 1 -23.989 -12.192 -2.385 10 H LEU 2 HN LEU 2 -15.671 -14.933 -1.866 11 HA LEU 2 HA LEU 2 -14.654 -16.396 0.483 12 HB2 LEU 2 HB2 LEU 2 -14.380 -17.095 -2.440 13 HB3 LEU 2 HB1 LEU 2 -13.440 -17.856 -1.172 14 HG LEU 2 HG LEU 2 -16.422 -17.915 -0.972 15 HD11 LEU 2 HD11 LEU 2 -14.785 -19.743 -2.723 16 HD12 LEU 2 HD12 LEU 2 -15.987 -18.575 -3.273 17 HD13 LEU 2 HD13 LEU 2 -16.484 -19.964 -2.306 18 HD21 LEU 2 HD21 LEU 2 -15.963 -20.071 0.093 19 HD22 LEU 2 HD22 LEU 2 -15.069 -18.768 0.875 20 HD23 LEU 2 HD23 LEU 2 -14.240 -19.865 -0.228 21 H ARG 3 HN ARG 3 -13.806 -14.537 -2.403 22 HA ARG 3 HA ARG 3 -11.902 -13.517 -3.117 23 HB2 ARG 3 HB2 ARG 3 -11.152 -11.685 -1.619 24 HB3 ARG 3 HB1 ARG 3 -12.889 -11.758 -1.837 25 HG2 ARG 3 HG2 ARG 3 -13.136 -12.763 0.373 26 HG3 ARG 3 HG1 ARG 3 -11.385 -12.742 0.587 27 HD2 ARG 3 HD2 ARG 3 -11.402 -10.297 0.400 28 HD3 ARG 3 HD1 ARG 3 -13.154 -10.328 0.208 29 HE ARG 3 HE ARG 3 -12.630 -11.651 2.568 30 HH11 ARG 3 HH11 ARG 3 -12.073 -8.409 1.339 31 HH12 ARG 3 HH12 ARG 3 -12.158 -7.676 2.906 32 HH21 ARG 3 HH21 ARG 3 -12.738 -10.670 4.610 33 HH22 ARG 3 HH22 ARG 3 -12.533 -8.957 4.756 34 H LEU 4 HN LEU 4 -10.177 -14.631 -3.631 35 HA LEU 4 HA LEU 4 -8.465 -15.770 -1.549 36 HB2 LEU 4 HB2 LEU 4 -8.544 -16.173 -4.539 37 HB3 LEU 4 HB1 LEU 4 -7.324 -16.883 -3.503 38 HG LEU 4 HG LEU 4 -9.449 -17.846 -2.240 39 HD11 LEU 4 HD11 LEU 4 -11.224 -18.442 -3.813 40 HD12 LEU 4 HD12 LEU 4 -10.443 -17.473 -5.063 41 HD13 LEU 4 HD13 LEU 4 -11.092 -16.694 -3.620 42 HD21 LEU 4 HD21 LEU 4 -7.668 -19.182 -3.210 43 HD22 LEU 4 HD22 LEU 4 -8.352 -18.956 -4.819 44 HD23 LEU 4 HD23 LEU 4 -9.242 -19.874 -3.605 45 H PHE 5 HN PHE 5 -8.305 -13.560 -4.320 46 HA PHE 5 HA PHE 5 -5.592 -12.760 -3.526 47 HB2 PHE 5 HB2 PHE 5 -7.132 -12.370 -6.096 48 HB3 PHE 5 HB1 PHE 5 -5.591 -11.584 -5.772 49 HD1 PHE 5 HD2 PHE 5 -7.261 -14.751 -6.507 50 HD2 PHE 5 HD1 PHE 5 -3.532 -12.848 -5.744 51 HE1 PHE 5 HE2 PHE 5 -6.079 -16.739 -7.347 52 HE2 PHE 5 HE1 PHE 5 -2.343 -14.832 -6.584 53 HZ PHE 5 HZ PHE 5 -3.617 -16.782 -7.386 54 H GLY 6 HN GLY 6 -5.083 -10.674 -3.001 55 HA2 GLY 6 HA2 GLY 6 -5.511 -8.331 -2.856 56 HA3 GLY 6 HA1 GLY 6 -7.230 -8.666 -2.999 57 H GLN 7 HN GLN 7 -4.528 -8.376 -0.870 58 HA GLN 7 HA GLN 7 -4.257 -8.204 1.367 59 HB2 GLN 7 HB2 GLN 7 -7.169 -7.515 1.128 60 HB3 GLN 7 HB1 GLN 7 -6.387 -7.574 2.701 61 HG2 GLN 7 HG2 GLN 7 -6.227 -5.341 2.151 62 HG3 GLN 7 HG1 GLN 7 -4.664 -5.961 1.626 63 HE21 GLN 7 HE21 GLN 7 -7.740 -4.708 0.631 64 HE22 GLN 7 HE22 GLN 7 -7.335 -4.456 -1.030 65 H ASP 8 HN ASP 8 -4.574 -9.222 3.452 66 HA ASP 8 HA ASP 8 -5.329 -12.021 3.150 67 HB2 ASP 8 HB2 ASP 8 -3.820 -10.533 5.301 68 HB3 ASP 8 HB1 ASP 8 -4.257 -12.233 5.439 69 H GLY 9 HN GLY 9 -6.138 -9.240 5.214 70 HA2 GLY 9 HA2 GLY 9 -8.686 -9.244 5.600 71 HA3 GLY 9 HA1 GLY 9 -8.363 -10.785 6.376 72 H LEU 10 HN LEU 10 -5.884 -10.012 7.607 73 HA LEU 10 HA LEU 10 -6.921 -8.218 9.699 74 HB2 LEU 10 HB2 LEU 10 -4.972 -10.516 9.805 75 HB3 LEU 10 HB1 LEU 10 -5.061 -9.337 11.091 76 HG LEU 10 HG LEU 10 -6.263 -11.317 11.738 77 HD11 LEU 10 HD11 LEU 10 -8.389 -9.307 11.069 78 HD12 LEU 10 HD12 LEU 10 -7.197 -9.059 12.344 79 HD13 LEU 10 HD13 LEU 10 -8.317 -10.417 12.438 80 HD21 LEU 10 HD21 LEU 10 -6.760 -12.254 9.559 81 HD22 LEU 10 HD22 LEU 10 -7.930 -10.971 9.252 82 HD23 LEU 10 HD23 LEU 10 -8.225 -12.145 10.534 83 H CYS 11 HN CYS 11 -5.392 -6.808 10.777 84 HA CYS 11 HA CYS 11 -3.583 -5.541 8.899 85 HB2 CYS 11 HB2 CYS 11 -5.062 -4.140 10.227 86 HB3 CYS 11 HB1 CYS 11 -4.397 -4.799 11.715 87 H ALA 12 HN ALA 12 -1.423 -5.257 9.143 88 HA ALA 12 HA ALA 12 0.074 -7.347 10.312 89 HB1 ALA 12 HB1 ALA 12 1.205 -4.720 9.403 90 HB2 ALA 12 HB2 ALA 12 0.664 -5.971 8.285 91 HB3 ALA 12 HB3 ALA 12 1.981 -6.305 9.411 92 H SER 13 HN SER 13 -0.548 -4.034 11.410 93 HA SER 13 HA SER 13 1.225 -4.420 13.702 94 HB2 SER 13 HB2 SER 13 1.365 -2.307 12.402 95 HB3 SER 13 HB1 SER 13 -0.288 -1.930 12.881 96 HG SER 13 HG SER 13 0.532 -1.136 14.632 97 H CYS 14 HN CYS 14 -2.167 -3.385 13.137 98 HA CYS 14 HA CYS 14 -2.753 -4.070 15.928 99 HB2 CYS 14 HB2 CYS 14 -4.570 -2.593 15.863 100 HB3 CYS 14 HB1 CYS 14 -3.342 -1.779 14.906 101 H ASP 15 HN ASP 15 -4.874 -5.113 16.381 102 HA ASP 15 HA ASP 15 -5.250 -7.376 14.574 103 HB2 ASP 15 HB2 ASP 15 -6.091 -6.870 17.434 104 HB3 ASP 15 HB1 ASP 15 -6.620 -8.281 16.523 105 H LYS 16 HN LYS 16 -6.224 -5.181 13.407 106 HA LYS 16 HA LYS 16 -9.149 -5.298 13.762 107 HB2 LYS 16 HB2 LYS 16 -7.321 -3.098 12.859 108 HB3 LYS 16 HB1 LYS 16 -9.023 -3.086 12.408 109 HG2 LYS 16 HG2 LYS 16 -9.539 -3.243 14.852 110 HG3 LYS 16 HG1 LYS 16 -7.823 -2.969 15.146 111 HD2 LYS 16 HD2 LYS 16 -7.951 -0.844 13.947 112 HD3 LYS 16 HD1 LYS 16 -9.666 -1.118 13.637 113 HE2 LYS 16 HE2 LYS 16 -8.509 -1.005 16.412 114 HE3 LYS 16 HE1 LYS 16 -9.094 0.426 15.566 115 HZ1 LYS 16 HZ1 LYS 16 -11.273 -0.616 15.392 116 HZ2 LYS 16 HZ2 LYS 16 -10.792 -0.496 17.010 117 HZ3 LYS 16 HZ3 LYS 16 -10.707 -1.985 16.211 118 H ARG 17 HN ARG 17 -10.395 -5.960 12.122 119 HA ARG 17 HA ARG 17 -9.303 -7.239 9.851 120 HB2 ARG 17 HB2 ARG 17 -12.154 -6.358 10.360 121 HB3 ARG 17 HB1 ARG 17 -11.647 -7.472 9.100 122 HG2 ARG 17 HG2 ARG 17 -10.687 -8.875 11.043 123 HG3 ARG 17 HG1 ARG 17 -11.735 -7.889 12.060 124 HD2 ARG 17 HD2 ARG 17 -13.671 -8.561 10.739 125 HD3 ARG 17 HD1 ARG 17 -12.633 -9.525 9.690 126 HE ARG 17 HE ARG 17 -12.420 -10.264 12.449 127 HH11 ARG 17 HH11 ARG 17 -14.337 -10.759 9.548 128 HH12 ARG 17 HH12 ARG 17 -14.937 -12.298 10.068 129 HH21 ARG 17 HH21 ARG 17 -13.217 -12.282 13.109 130 HH22 ARG 17 HH22 ARG 17 -14.303 -13.158 12.083 131 H ILE 18 HN ILE 18 -9.016 -6.608 7.774 132 HA ILE 18 HA ILE 18 -9.118 -3.765 7.216 133 HB ILE 18 HB ILE 18 -7.940 -6.110 5.716 134 HG12 ILE 18 HG12 ILE 18 -6.581 -3.603 6.725 135 HG13 ILE 18 HG11 ILE 18 -6.808 -5.011 7.752 136 HG21 ILE 18 HG21 ILE 18 -7.191 -3.566 4.567 137 HG22 ILE 18 HG22 ILE 18 -8.937 -3.798 4.475 138 HG23 ILE 18 HG23 ILE 18 -7.851 -4.996 3.772 139 HD11 ILE 18 HD11 ILE 18 -5.479 -6.350 6.177 140 HD12 ILE 18 HD12 ILE 18 -4.580 -4.986 6.840 141 HD13 ILE 18 HD13 ILE 18 -5.217 -4.904 5.198 142 H ARG 19 HN ARG 19 -10.836 -2.839 6.436 143 HA ARG 19 HA ARG 19 -12.806 -4.359 4.876 144 HB2 ARG 19 HB2 ARG 19 -13.229 -2.833 7.036 145 HB3 ARG 19 HB1 ARG 19 -13.343 -1.578 5.811 146 HG2 ARG 19 HG2 ARG 19 -15.123 -2.813 4.693 147 HG3 ARG 19 HG1 ARG 19 -14.992 -4.100 5.892 148 HD2 ARG 19 HD2 ARG 19 -15.601 -1.244 6.621 149 HD3 ARG 19 HD1 ARG 19 -16.858 -2.417 6.233 150 HE ARG 19 HE ARG 19 -15.254 -3.560 8.193 151 HH11 ARG 19 HH11 ARG 19 -17.402 -0.792 7.934 152 HH12 ARG 19 HH12 ARG 19 -17.822 -0.816 9.614 153 HH21 ARG 19 HH21 ARG 19 -15.818 -3.571 10.389 154 HH22 ARG 19 HH22 ARG 19 -16.925 -2.388 11.001 155 H ALA 20 HN ALA 20 -14.064 -2.496 3.373 156 HA ALA 20 HA ALA 20 -12.273 -2.028 1.210 157 HB1 ALA 20 HB1 ALA 20 -14.191 -1.085 0.067 158 HB2 ALA 20 HB2 ALA 20 -15.084 -1.008 1.585 159 HB3 ALA 20 HB3 ALA 20 -14.643 -2.572 0.899 160 H TYR 21 HN TYR 21 -12.711 -0.255 3.995 161 HA TYR 21 HA TYR 21 -12.362 2.398 2.855 162 HB2 TYR 21 HB2 TYR 21 -13.810 2.124 4.803 163 HB3 TYR 21 HB1 TYR 21 -12.496 1.404 5.716 164 HD1 TYR 21 HD1 TYR 21 -10.641 2.810 6.539 165 HD2 TYR 21 HD2 TYR 21 -14.013 4.507 4.575 166 HE1 TYR 21 HE1 TYR 21 -10.047 5.023 7.444 167 HE2 TYR 21 HE2 TYR 21 -13.424 6.725 5.461 168 HH TYR 21 HH TYR 21 -10.422 7.389 6.910 169 H GLU 22 HN GLU 22 -10.379 -0.182 3.782 170 HA GLU 22 HA GLU 22 -8.191 0.763 5.071 171 HB2 GLU 22 HB2 GLU 22 -6.855 -0.948 3.822 172 HB3 GLU 22 HB1 GLU 22 -8.328 -1.545 4.567 173 HG2 GLU 22 HG2 GLU 22 -8.820 -2.467 2.601 174 HG3 GLU 22 HG1 GLU 22 -9.110 -0.833 2.006 175 H MET 23 HN MET 23 -8.613 1.020 1.519 176 HA MET 23 HA MET 23 -7.341 2.059 -0.099 177 HB2 MET 23 HB2 MET 23 -7.686 4.208 1.999 178 HB3 MET 23 HB1 MET 23 -6.995 4.536 0.417 179 HG2 MET 23 HG2 MET 23 -9.050 3.821 -0.655 180 HG3 MET 23 HG1 MET 23 -9.745 3.415 0.913 181 HE1 MET 23 HE1 MET 23 -11.797 6.578 -0.150 182 HE2 MET 23 HE2 MET 23 -11.863 4.871 0.289 183 HE3 MET 23 HE3 MET 23 -11.160 5.359 -1.253 184 H THR 24 HN THR 24 -5.742 0.393 1.180 185 HA THR 24 HA THR 24 -3.285 1.815 1.936 186 HB THR 24 HB THR 24 -2.559 -0.408 2.841 187 HG1 THR 24 HG1 THR 24 -4.926 -1.151 1.660 188 HG21 THR 24 HG21 THR 24 -4.177 -0.389 4.769 189 HG22 THR 24 HG22 THR 24 -5.081 0.854 3.906 190 HG23 THR 24 HG23 THR 24 -3.418 1.161 4.410 191 H MET 25 HN MET 25 -1.240 0.620 1.362 192 HA MET 25 HA MET 25 -1.329 -0.289 -1.437 193 HB2 MET 25 HB2 MET 25 -0.109 1.894 -0.738 194 HB3 MET 25 HB1 MET 25 1.104 0.824 -0.053 195 HG2 MET 25 HG2 MET 25 0.255 0.590 -2.916 196 HG3 MET 25 HG1 MET 25 1.470 1.754 -2.406 197 HE1 MET 25 HE1 MET 25 4.496 -0.387 -1.399 198 HE2 MET 25 HE2 MET 25 3.349 0.424 -0.333 199 HE3 MET 25 HE3 MET 25 3.887 1.214 -1.814 200 H ARG 26 HN ARG 26 0.036 -2.042 -2.048 201 HA ARG 26 HA ARG 26 0.282 -4.088 -0.053 202 HB2 ARG 26 HB2 ARG 26 0.969 -3.978 -2.986 203 HB3 ARG 26 HB1 ARG 26 1.319 -5.389 -1.998 204 HG2 ARG 26 HG2 ARG 26 -1.063 -5.603 -1.470 205 HG3 ARG 26 HG1 ARG 26 -1.404 -4.201 -2.487 206 HD2 ARG 26 HD2 ARG 26 -0.503 -5.390 -4.426 207 HD3 ARG 26 HD1 ARG 26 -0.157 -6.789 -3.409 208 HE ARG 26 HE ARG 26 -2.873 -6.148 -3.167 209 HH11 ARG 26 HH11 ARG 26 -0.677 -7.445 -5.582 210 HH12 ARG 26 HH12 ARG 26 -1.914 -8.352 -6.385 211 HH21 ARG 26 HH21 ARG 26 -4.476 -7.344 -4.235 212 HH22 ARG 26 HH22 ARG 26 -4.063 -8.294 -5.623 213 H VAL 27 HN VAL 27 1.887 -4.251 1.330 214 HA VAL 27 HA VAL 27 4.477 -3.030 0.780 215 HB VAL 27 HB VAL 27 3.823 -4.483 3.349 216 HG11 VAL 27 HG11 VAL 27 5.204 -2.527 4.261 217 HG12 VAL 27 HG12 VAL 27 5.657 -2.225 2.584 218 HG13 VAL 27 HG13 VAL 27 6.055 -3.766 3.343 219 HG21 VAL 27 HG21 VAL 27 1.911 -3.093 3.127 220 HG22 VAL 27 HG22 VAL 27 2.878 -1.736 2.555 221 HG23 VAL 27 HG23 VAL 27 3.006 -2.263 4.231 222 H LYS 28 HN LYS 28 6.368 -4.509 1.901 223 HA LYS 28 HA LYS 28 7.108 -6.411 0.085 224 HB2 LYS 28 HB2 LYS 28 7.929 -6.010 2.946 225 HB3 LYS 28 HB1 LYS 28 8.658 -7.262 1.952 226 HG2 LYS 28 HG2 LYS 28 9.400 -5.567 0.356 227 HG3 LYS 28 HG1 LYS 28 8.661 -4.310 1.347 228 HD2 LYS 28 HD2 LYS 28 10.149 -4.892 3.198 229 HD3 LYS 28 HD1 LYS 28 10.882 -6.161 2.214 230 HE2 LYS 28 HE2 LYS 28 11.637 -4.474 0.609 231 HE3 LYS 28 HE1 LYS 28 10.907 -3.209 1.596 232 HZ1 LYS 28 HZ1 LYS 28 13.280 -3.390 1.999 233 HZ2 LYS 28 HZ2 LYS 28 13.108 -5.010 2.451 234 HZ3 LYS 28 HZ3 LYS 28 12.411 -3.792 3.394 235 H ASP 29 HN ASP 29 6.108 -7.402 3.411 236 HA ASP 29 HA ASP 29 5.090 -9.889 2.200 237 HB2 ASP 29 HB2 ASP 29 6.553 -9.484 4.805 238 HB3 ASP 29 HB1 ASP 29 5.647 -10.948 4.443 239 H LYS 30 HN LYS 30 4.649 -7.583 4.866 240 HA LYS 30 HA LYS 30 1.931 -8.640 5.277 241 HB2 LYS 30 HB2 LYS 30 3.628 -6.977 7.147 242 HB3 LYS 30 HB1 LYS 30 2.035 -7.621 7.501 243 HG2 LYS 30 HG2 LYS 30 2.827 -9.846 7.545 244 HG3 LYS 30 HG1 LYS 30 4.370 -9.382 6.827 245 HD2 LYS 30 HD2 LYS 30 4.631 -7.903 8.942 246 HD3 LYS 30 HD1 LYS 30 3.375 -8.943 9.618 247 HE2 LYS 30 HE2 LYS 30 4.747 -10.908 9.150 248 HE3 LYS 30 HE1 LYS 30 5.996 -9.876 8.452 249 HZ1 LYS 30 HZ1 LYS 30 5.075 -9.810 11.277 250 HZ2 LYS 30 HZ2 LYS 30 6.272 -8.819 10.610 251 HZ3 LYS 30 HZ3 LYS 30 6.524 -10.488 10.727 252 H VAL 31 HN VAL 31 0.184 -7.212 5.524 253 HA VAL 31 HA VAL 31 0.565 -4.596 4.227 254 HB VAL 31 HB VAL 31 -2.085 -6.015 4.587 255 HG11 VAL 31 HG11 VAL 31 -2.271 -3.638 4.134 256 HG12 VAL 31 HG12 VAL 31 -2.815 -4.567 2.737 257 HG13 VAL 31 HG13 VAL 31 -1.225 -3.804 2.722 258 HG21 VAL 31 HG21 VAL 31 -0.256 -6.139 2.190 259 HG22 VAL 31 HG22 VAL 31 -1.906 -6.759 2.253 260 HG23 VAL 31 HG23 VAL 31 -0.656 -7.477 3.267 261 H TYR 32 HN TYR 32 -0.041 -2.735 5.223 262 HA TYR 32 HA TYR 32 -1.037 -2.937 7.998 263 HB2 TYR 32 HB2 TYR 32 0.878 -0.914 6.807 264 HB3 TYR 32 HB1 TYR 32 0.238 -0.843 8.442 265 HD1 TYR 32 HD1 TYR 32 2.224 -3.068 6.189 266 HD2 TYR 32 HD2 TYR 32 1.437 -1.817 10.176 267 HE1 TYR 32 HE1 TYR 32 4.132 -4.401 6.971 268 HE2 TYR 32 HE2 TYR 32 3.341 -3.151 10.975 269 HH TYR 32 HH TYR 32 4.662 -5.099 10.248 270 H HIS 33 HN HIS 33 -2.445 -1.301 8.749 271 HA HIS 33 HA HIS 33 -4.374 -0.302 6.929 272 HB2 HIS 33 HB2 HIS 33 -3.806 0.044 9.840 273 HB3 HIS 33 HB1 HIS 33 -4.884 1.197 9.077 274 HD2 HIS 33 HD2 HIS 33 -6.990 -0.527 7.526 275 HE1 HIS 33 HE1 HIS 33 -7.241 -2.929 11.024 276 HE2 HIS 33 HE2 HIS 33 -8.412 -2.190 8.913 277 H LEU 34 HN LEU 34 -4.979 2.048 6.676 278 HA LEU 34 HA LEU 34 -2.787 3.606 5.795 279 HB2 LEU 34 HB2 LEU 34 -4.395 5.380 5.362 280 HB3 LEU 34 HB1 LEU 34 -5.005 3.843 4.796 281 HG LEU 34 HG LEU 34 -6.163 3.963 7.260 282 HD11 LEU 34 HD11 LEU 34 -6.014 6.793 6.227 283 HD12 LEU 34 HD12 LEU 34 -5.315 6.187 7.729 284 HD13 LEU 34 HD13 LEU 34 -7.066 6.232 7.525 285 HD21 LEU 34 HD21 LEU 34 -8.199 4.649 6.075 286 HD22 LEU 34 HD22 LEU 34 -7.296 3.427 5.181 287 HD23 LEU 34 HD23 LEU 34 -7.222 5.118 4.684 288 H GLU 35 HN GLU 35 -4.876 3.865 8.653 289 HA GLU 35 HA GLU 35 -3.582 6.069 9.870 290 HB2 GLU 35 HB2 GLU 35 -5.292 3.872 11.050 291 HB3 GLU 35 HB1 GLU 35 -4.747 5.277 11.952 292 HG2 GLU 35 HG2 GLU 35 -5.938 6.714 10.303 293 HG3 GLU 35 HG1 GLU 35 -6.584 5.247 9.569 294 H CYS 36 HN CYS 36 -3.025 2.606 9.987 295 HA CYS 36 HA CYS 36 -1.151 2.703 12.174 296 HB2 CYS 36 HB2 CYS 36 -1.693 0.422 10.263 297 HB3 CYS 36 HB1 CYS 36 -0.926 0.319 11.844 298 H PHE 37 HN PHE 37 -0.863 3.693 9.061 299 HA PHE 37 HA PHE 37 1.865 2.748 8.607 300 HB2 PHE 37 HB2 PHE 37 0.047 2.913 6.790 301 HB3 PHE 37 HB1 PHE 37 0.278 4.654 6.868 302 HD1 PHE 37 HD1 PHE 37 1.837 1.453 5.938 303 HD2 PHE 37 HD2 PHE 37 2.185 5.695 5.879 304 HE1 PHE 37 HE1 PHE 37 3.672 1.278 4.304 305 HE2 PHE 37 HE2 PHE 37 4.029 5.524 4.254 306 HZ PHE 37 HZ PHE 37 4.770 3.314 3.465 307 H LYS 38 HN LYS 38 2.015 4.051 10.830 308 HA LYS 38 HA LYS 38 2.979 6.760 10.199 309 HB2 LYS 38 HB2 LYS 38 2.420 7.366 12.579 310 HB3 LYS 38 HB1 LYS 38 1.038 7.060 11.542 311 HG2 LYS 38 HG2 LYS 38 0.782 4.835 12.540 312 HG3 LYS 38 HG1 LYS 38 2.173 5.144 13.581 313 HD2 LYS 38 HD2 LYS 38 0.988 7.033 14.596 314 HD3 LYS 38 HD1 LYS 38 -0.400 6.722 13.553 315 HE2 LYS 38 HE2 LYS 38 -0.661 4.509 14.564 316 HE3 LYS 38 HE1 LYS 38 0.727 4.819 15.605 317 HZ1 LYS 38 HZ1 LYS 38 -1.812 6.359 15.606 318 HZ2 LYS 38 HZ2 LYS 38 -0.482 6.657 16.606 319 HZ3 LYS 38 HZ3 LYS 38 -1.352 5.215 16.765 320 H CYS 39 HN CYS 39 4.621 7.599 11.761 321 HA CYS 39 HA CYS 39 6.880 5.904 11.867 322 HB2 CYS 39 HB2 CYS 39 6.979 8.375 11.629 323 HB3 CYS 39 HB1 CYS 39 6.456 8.529 13.302 324 H ALA 40 HN ALA 40 8.005 5.029 13.595 325 HA ALA 40 HA ALA 40 6.368 4.310 15.900 326 HB1 ALA 40 HB1 ALA 40 9.110 3.250 15.302 327 HB2 ALA 40 HB2 ALA 40 7.678 2.651 14.468 328 HB3 ALA 40 HB3 ALA 40 7.808 2.493 16.221 329 H ALA 41 HN ALA 41 8.675 6.648 15.171 330 HA ALA 41 HA ALA 41 9.701 6.756 17.921 331 HB1 ALA 41 HB1 ALA 41 11.380 6.692 16.136 332 HB2 ALA 41 HB2 ALA 41 11.467 8.184 17.074 333 HB3 ALA 41 HB3 ALA 41 10.723 8.190 15.475 334 H CYS 42 HN CYS 42 8.373 8.945 15.405 335 HA CYS 42 HA CYS 42 7.648 10.822 17.552 336 HB2 CYS 42 HB2 CYS 42 7.597 12.579 15.888 337 HB3 CYS 42 HB1 CYS 42 9.132 11.727 15.792 338 H GLN 43 HN GLN 43 6.290 8.459 15.682 339 HA GLN 43 HA GLN 43 4.194 7.737 15.252 340 HB2 GLN 43 HB2 GLN 43 3.545 9.854 17.288 341 HB3 GLN 43 HB1 GLN 43 2.284 8.893 16.531 342 HG2 GLN 43 HG2 GLN 43 2.705 7.777 18.519 343 HG3 GLN 43 HG1 GLN 43 3.631 6.860 17.334 344 HE21 GLN 43 HE21 GLN 43 5.877 6.977 17.356 345 HE22 GLN 43 HE22 GLN 43 6.754 7.592 18.711 346 H LYS 44 HN LYS 44 5.388 10.283 13.856 347 HA LYS 44 HA LYS 44 3.202 11.779 12.847 348 HB2 LYS 44 HB2 LYS 44 5.795 12.233 12.809 349 HB3 LYS 44 HB1 LYS 44 5.714 11.414 11.258 350 HG2 LYS 44 HG2 LYS 44 4.084 13.059 10.473 351 HG3 LYS 44 HG1 LYS 44 4.162 13.878 12.035 352 HD2 LYS 44 HD2 LYS 44 6.546 14.323 11.677 353 HD3 LYS 44 HD1 LYS 44 6.462 13.507 10.115 354 HE2 LYS 44 HE2 LYS 44 4.841 15.167 9.337 355 HE3 LYS 44 HE1 LYS 44 4.921 15.979 10.899 356 HZ1 LYS 44 HZ1 LYS 44 7.263 16.429 10.502 357 HZ2 LYS 44 HZ2 LYS 44 6.312 17.078 9.263 358 HZ3 LYS 44 HZ3 LYS 44 7.184 15.652 9.001 359 H HIS 45 HN HIS 45 2.530 11.837 10.543 360 HA HIS 45 HA HIS 45 2.096 9.106 9.570 361 HB2 HIS 45 HB2 HIS 45 0.256 10.144 8.194 362 HB3 HIS 45 HB1 HIS 45 0.023 10.241 9.933 363 HD1 HIS 45 HD1 HIS 45 0.258 12.302 6.898 364 HD2 HIS 45 HD2 HIS 45 0.412 12.895 11.008 365 HE1 HIS 45 HE1 HIS 45 -0.068 14.773 7.233 366 HE2 HIS 45 HE2 HIS 45 -0.071 15.093 9.732 367 H PHE 46 HN PHE 46 2.364 8.539 7.414 368 HA PHE 46 HA PHE 46 4.383 10.126 6.002 369 HB2 PHE 46 HB2 PHE 46 3.568 7.227 5.772 370 HB3 PHE 46 HB1 PHE 46 4.707 7.992 4.679 371 HD1 PHE 46 HD1 PHE 46 4.186 7.594 8.372 372 HD2 PHE 46 HD2 PHE 46 6.935 7.681 5.123 373 HE1 PHE 46 HE1 PHE 46 6.010 7.056 9.915 374 HE2 PHE 46 HE2 PHE 46 8.771 7.144 6.666 375 HZ PHE 46 HZ PHE 46 8.313 6.830 9.066 376 H SER 47 HN SER 47 4.236 10.448 3.740 377 HA SER 47 HA SER 47 1.485 10.412 2.683 378 HB2 SER 47 HB2 SER 47 3.617 12.518 2.247 379 HB3 SER 47 HB1 SER 47 2.030 12.504 1.478 380 HG SER 47 HG SER 47 2.139 13.834 3.372 381 H VAL 48 HN VAL 48 1.267 10.269 0.371 382 HA VAL 48 HA VAL 48 2.908 8.288 -0.807 383 HB VAL 48 HB VAL 48 1.618 8.837 -2.943 384 HG11 VAL 48 HG11 VAL 48 1.028 6.999 -1.479 385 HG12 VAL 48 HG12 VAL 48 -0.426 7.771 -2.111 386 HG13 VAL 48 HG13 VAL 48 0.092 8.088 -0.455 387 HG21 VAL 48 HG21 VAL 48 -0.450 10.144 -2.675 388 HG22 VAL 48 HG22 VAL 48 0.986 11.143 -2.451 389 HG23 VAL 48 HG23 VAL 48 0.058 10.607 -1.050 390 H GLY 49 HN GLY 49 4.776 8.435 -1.839 391 HA2 GLY 49 HA2 GLY 49 6.091 9.370 -3.644 392 HA3 GLY 49 HA1 GLY 49 5.454 10.951 -3.226 393 H ASP 50 HN ASP 50 6.204 9.278 -0.417 394 HA ASP 50 HA ASP 50 8.825 10.615 -0.234 395 HB2 ASP 50 HB2 ASP 50 6.747 10.056 1.886 396 HB3 ASP 50 HB1 ASP 50 8.393 10.552 2.269 397 H ARG 51 HN ARG 51 10.510 9.578 0.929 398 HA ARG 51 HA ARG 51 10.538 6.698 0.611 399 HB2 ARG 51 HB2 ARG 51 12.675 8.657 1.463 400 HB3 ARG 51 HB1 ARG 51 12.941 6.929 1.299 401 HG2 ARG 51 HG2 ARG 51 12.204 7.171 -1.103 402 HG3 ARG 51 HG1 ARG 51 12.297 8.914 -0.860 403 HD2 ARG 51 HD2 ARG 51 14.652 8.701 -0.232 404 HD3 ARG 51 HD1 ARG 51 14.560 6.958 -0.475 405 HE ARG 51 HE ARG 51 13.754 8.321 -2.819 406 HH11 ARG 51 HH11 ARG 51 16.658 7.527 -1.009 407 HH12 ARG 51 HH12 ARG 51 17.681 7.584 -2.405 408 HH21 ARG 51 HH21 ARG 51 15.113 8.391 -4.632 409 HH22 ARG 51 HH22 ARG 51 16.806 8.074 -4.455 410 H TYR 52 HN TYR 52 10.289 5.229 2.176 411 HA TYR 52 HA TYR 52 10.482 6.119 4.974 412 HB2 TYR 52 HB2 TYR 52 8.544 4.868 5.588 413 HB3 TYR 52 HB1 TYR 52 8.102 5.844 4.197 414 HD1 TYR 52 HD1 TYR 52 7.905 4.722 1.939 415 HD2 TYR 52 HD2 TYR 52 8.345 2.499 5.547 416 HE1 TYR 52 HE1 TYR 52 7.067 2.710 0.801 417 HE2 TYR 52 HE2 TYR 52 7.507 0.487 4.416 418 HH TYR 52 HH TYR 52 6.132 -0.094 2.468 419 H LEU 53 HN LEU 53 11.011 4.495 6.528 420 HA LEU 53 HA LEU 53 12.498 2.224 5.384 421 HB2 LEU 53 HB2 LEU 53 13.871 3.987 6.508 422 HB3 LEU 53 HB1 LEU 53 13.016 3.648 8.000 423 HG LEU 53 HG LEU 53 14.049 1.179 7.058 424 HD11 LEU 53 HD11 LEU 53 16.453 1.669 7.037 425 HD12 LEU 53 HD12 LEU 53 16.090 3.393 7.066 426 HD13 LEU 53 HD13 LEU 53 15.609 2.416 5.680 427 HD21 LEU 53 HD21 LEU 53 14.976 2.952 9.313 428 HD22 LEU 53 HD22 LEU 53 15.232 1.213 9.167 429 HD23 LEU 53 HD23 LEU 53 13.601 1.851 9.384 430 H LEU 54 HN LEU 54 11.876 0.244 5.949 431 HA LEU 54 HA LEU 54 9.737 -0.053 7.913 432 HB2 LEU 54 HB2 LEU 54 9.772 -1.047 5.503 433 HB3 LEU 54 HB1 LEU 54 10.821 -2.268 6.193 434 HG LEU 54 HG LEU 54 8.214 -1.763 7.550 435 HD11 LEU 54 HD11 LEU 54 7.073 -3.293 6.010 436 HD12 LEU 54 HD12 LEU 54 8.494 -3.291 4.965 437 HD13 LEU 54 HD13 LEU 54 7.574 -1.805 5.208 438 HD21 LEU 54 HD21 LEU 54 9.803 -4.257 6.939 439 HD22 LEU 54 HD22 LEU 54 8.339 -4.177 7.918 440 HD23 LEU 54 HD23 LEU 54 9.810 -3.373 8.466 441 H ILE 55 HN ILE 55 10.434 -0.259 9.929 442 HA ILE 55 HA ILE 55 12.903 -1.684 10.507 443 HB ILE 55 HB ILE 55 12.013 0.579 11.594 444 HG12 ILE 55 HG12 ILE 55 13.419 -0.199 13.702 445 HG13 ILE 55 HG11 ILE 55 13.760 -1.583 12.672 446 HG21 ILE 55 HG21 ILE 55 11.119 -1.425 13.655 447 HG22 ILE 55 HG22 ILE 55 10.025 -0.487 12.637 448 HG23 ILE 55 HG23 ILE 55 11.083 0.334 13.784 449 HD11 ILE 55 HD11 ILE 55 14.724 -0.161 10.996 450 HD12 ILE 55 HD12 ILE 55 15.471 0.192 12.554 451 HD13 ILE 55 HD13 ILE 55 14.252 1.282 11.893 452 H ASN 56 HN ASN 56 12.748 -3.018 12.693 453 HA ASN 56 HA ASN 56 11.667 -5.476 12.174 454 HB2 ASN 56 HB2 ASN 56 12.110 -4.310 14.925 455 HB3 ASN 56 HB1 ASN 56 12.040 -6.019 14.521 456 HD21 ASN 56 HD21 ASN 56 13.876 -3.076 14.212 457 HD22 ASN 56 HD22 ASN 56 15.380 -3.817 13.811 458 H SER 57 HN SER 57 10.040 -2.821 13.860 459 HA SER 57 HA SER 57 7.677 -4.537 14.184 460 HB2 SER 57 HB2 SER 57 6.925 -2.840 15.874 461 HB3 SER 57 HB1 SER 57 8.412 -3.683 16.303 462 HG SER 57 HG SER 57 8.205 -1.087 15.173 463 H ASP 58 HN ASP 58 8.061 -0.982 13.844 464 HA ASP 58 HA ASP 58 5.978 -1.067 11.758 465 HB2 ASP 58 HB2 ASP 58 6.358 0.851 14.050 466 HB3 ASP 58 HB1 ASP 58 5.398 1.285 12.640 467 H ILE 59 HN ILE 59 6.055 1.637 11.023 468 HA ILE 59 HA ILE 59 8.559 1.726 9.512 469 HB ILE 59 HB ILE 59 6.057 3.410 9.177 470 HG12 ILE 59 HG12 ILE 59 6.129 1.912 6.943 471 HG13 ILE 59 HG11 ILE 59 6.862 0.776 8.071 472 HG21 ILE 59 HG21 ILE 59 7.785 4.667 8.235 473 HG22 ILE 59 HG22 ILE 59 7.067 3.807 6.873 474 HG23 ILE 59 HG23 ILE 59 8.583 3.240 7.576 475 HD11 ILE 59 HD11 ILE 59 4.412 0.521 7.812 476 HD12 ILE 59 HD12 ILE 59 4.210 2.126 8.519 477 HD13 ILE 59 HD13 ILE 59 4.925 0.826 9.471 478 H VAL 60 HN VAL 60 10.030 3.371 9.640 479 HA VAL 60 HA VAL 60 9.568 5.457 11.679 480 HB VAL 60 HB VAL 60 12.302 4.344 11.000 481 HG11 VAL 60 HG11 VAL 60 12.325 6.554 12.011 482 HG12 VAL 60 HG12 VAL 60 12.949 5.359 13.148 483 HG13 VAL 60 HG13 VAL 60 11.310 5.982 13.335 484 HG21 VAL 60 HG21 VAL 60 10.619 3.565 13.380 485 HG22 VAL 60 HG22 VAL 60 12.232 2.976 12.980 486 HG23 VAL 60 HG23 VAL 60 10.859 2.556 11.954 487 H CYS 61 HN CYS 61 9.679 7.486 10.973 488 HA CYS 61 HA CYS 61 10.087 8.175 8.272 489 HB2 CYS 61 HB2 CYS 61 9.610 10.393 8.916 490 HB3 CYS 61 HB1 CYS 61 8.687 9.389 10.026 491 H GLU 62 HN GLU 62 11.638 9.667 7.362 492 HA GLU 62 HA GLU 62 14.321 8.971 7.765 493 HB2 GLU 62 HB2 GLU 62 13.029 10.119 5.752 494 HB3 GLU 62 HB1 GLU 62 13.643 11.585 6.499 495 HG2 GLU 62 HG2 GLU 62 15.925 10.726 6.310 496 HG3 GLU 62 HG1 GLU 62 15.307 9.258 5.557 497 H GLN 63 HN GLN 63 12.360 11.326 9.349 498 HA GLN 63 HA GLN 63 14.374 13.109 10.260 499 HB2 GLN 63 HB2 GLN 63 11.745 13.293 10.251 500 HB3 GLN 63 HB1 GLN 63 11.899 12.597 11.857 501 HG2 GLN 63 HG2 GLN 63 13.347 14.451 12.524 502 HG3 GLN 63 HG1 GLN 63 13.197 15.147 10.910 503 HE21 GLN 63 HE21 GLN 63 11.251 16.084 10.288 504 HE22 GLN 63 HE22 GLN 63 10.036 16.526 11.433 505 H ASP 64 HN ASP 64 12.976 10.157 11.632 506 HA ASP 64 HA ASP 64 14.905 10.270 13.862 507 HB2 ASP 64 HB2 ASP 64 12.464 8.499 13.755 508 HB3 ASP 64 HB1 ASP 64 13.430 8.924 15.158 509 H ILE 65 HN ILE 65 14.827 8.926 10.916 510 HA ILE 65 HA ILE 65 15.121 6.171 11.218 511 HB ILE 65 HB ILE 65 14.808 7.156 9.035 512 HG12 ILE 65 HG12 ILE 65 17.090 5.330 9.556 513 HG13 ILE 65 HG11 ILE 65 15.634 5.067 8.611 514 HG21 ILE 65 HG21 ILE 65 16.578 8.346 7.825 515 HG22 ILE 65 HG22 ILE 65 17.591 8.300 9.266 516 HG23 ILE 65 HG23 ILE 65 16.080 9.210 9.280 517 HD11 ILE 65 HD11 ILE 65 17.677 4.980 7.261 518 HD12 ILE 65 HD12 ILE 65 18.030 6.650 7.711 519 HD13 ILE 65 HD13 ILE 65 16.595 6.278 6.748 520 H TYR 66 HN TYR 66 17.763 8.578 11.082 521 HA TYR 66 HA TYR 66 19.901 6.823 11.419 522 HB2 TYR 66 HB2 TYR 66 20.096 9.163 10.643 523 HB3 TYR 66 HB1 TYR 66 19.724 9.725 12.268 524 HD1 TYR 66 HD1 TYR 66 21.360 9.497 14.064 525 HD2 TYR 66 HD2 TYR 66 22.281 8.283 10.094 526 HE1 TYR 66 HE1 TYR 66 23.732 9.436 14.651 527 HE2 TYR 66 HE2 TYR 66 24.676 8.220 10.668 528 HH TYR 66 HH TYR 66 25.803 8.353 13.866 529 H GLU 67 HN GLU 67 18.270 8.783 13.929 530 HA GLU 67 HA GLU 67 19.789 7.830 16.099 531 HB2 GLU 67 HB2 GLU 67 17.102 9.175 15.929 532 HB3 GLU 67 HB1 GLU 67 17.802 8.700 17.469 533 HG2 GLU 67 HG2 GLU 67 19.742 10.115 17.029 534 HG3 GLU 67 HG1 GLU 67 19.047 10.585 15.479 535 H TRP 68 HN TRP 68 16.616 6.764 14.850 536 HA TRP 68 HA TRP 68 16.062 4.880 16.886 537 HB2 TRP 68 HB2 TRP 68 14.344 5.800 15.367 538 HB3 TRP 68 HB1 TRP 68 15.065 4.918 14.027 539 HD1 TRP 68 HD1 TRP 68 14.697 2.272 13.947 540 HE1 TRP 68 HE1 TRP 68 12.931 0.752 15.049 541 HE3 TRP 68 HE3 TRP 68 12.918 5.503 17.504 542 HZ2 TRP 68 HZ2 TRP 68 11.048 0.895 17.140 543 HZ3 TRP 68 HZ3 TRP 68 11.140 4.726 19.015 544 HH2 TRP 68 HH2 TRP 68 10.226 2.471 18.835 545 H THR 69 HN THR 69 17.646 4.521 13.734 546 HA THR 69 HA THR 69 17.909 1.696 13.801 547 HB THR 69 HB THR 69 19.682 2.043 12.046 548 HG1 THR 69 HG1 THR 69 19.415 4.612 12.937 549 HG21 THR 69 HG21 THR 69 18.119 2.831 10.325 550 HG22 THR 69 HG22 THR 69 17.033 3.417 11.585 551 HG23 THR 69 HG23 THR 69 17.349 1.690 11.427 552 H LYS 70 HN LYS 70 19.749 4.309 15.090 553 HA LYS 70 HA LYS 70 22.248 3.136 15.529 554 HB2 LYS 70 HB2 LYS 70 21.216 5.582 15.929 555 HB3 LYS 70 HB1 LYS 70 21.177 4.994 17.585 556 HG2 LYS 70 HG2 LYS 70 23.554 4.579 17.533 557 HG3 LYS 70 HG1 LYS 70 23.621 5.058 15.836 558 HD2 LYS 70 HD2 LYS 70 22.626 7.290 16.643 559 HD3 LYS 70 HD1 LYS 70 23.113 6.761 18.255 560 HE2 LYS 70 HE2 LYS 70 25.426 6.461 17.381 561 HE3 LYS 70 HE1 LYS 70 24.891 7.164 15.855 562 HZ1 LYS 70 HZ1 LYS 70 24.314 9.193 17.035 563 HZ2 LYS 70 HZ2 LYS 70 25.947 8.814 17.260 564 HZ3 LYS 70 HZ3 LYS 70 24.833 8.519 18.498 565 H ILE 71 HN ILE 71 19.367 3.208 17.616 566 HA ILE 71 HA ILE 71 20.638 1.547 19.640 567 HB ILE 71 HB ILE 71 17.758 2.481 19.567 568 HG12 ILE 71 HG12 ILE 71 19.086 3.892 21.541 569 HG13 ILE 71 HG11 ILE 71 20.239 3.860 20.213 570 HG21 ILE 71 HG21 ILE 71 18.099 0.574 21.057 571 HG22 ILE 71 HG22 ILE 71 17.782 2.041 21.983 572 HG23 ILE 71 HG23 ILE 71 19.427 1.419 21.852 573 HD11 ILE 71 HD11 ILE 71 17.407 4.838 20.067 574 HD12 ILE 71 HD12 ILE 71 18.557 4.787 18.730 575 HD13 ILE 71 HD13 ILE 71 18.860 5.838 20.114 576 H ASN 72 HN ASN 72 17.936 1.263 17.369 577 HA ASN 72 HA ASN 72 17.394 -1.488 18.008 578 HB2 ASN 72 HB2 ASN 72 16.345 0.413 15.925 579 HB3 ASN 72 HB1 ASN 72 15.884 -1.287 15.932 580 HD21 ASN 72 HD21 ASN 72 15.524 1.782 17.458 581 HD22 ASN 72 HD22 ASN 72 14.288 1.323 18.573 582 H GLY 73 HN GLY 73 19.980 -0.312 16.478 583 HA2 GLY 73 HA2 GLY 73 20.246 -2.702 14.777 584 HA3 GLY 73 HA1 GLY 73 20.649 -1.121 14.125 585 H GLY 74 HN GLY 74 21.374 -3.160 16.955 586 HA2 GLY 74 HA2 GLY 74 23.944 -3.725 16.773 587 HA3 GLY 74 HA1 GLY 74 24.056 -2.006 17.116 588 H SER 75 HN SER 75 24.976 -4.323 18.671 589 HA SER 75 HA SER 75 23.290 -4.194 21.060 590 HB2 SER 75 HB2 SER 75 24.768 -6.050 21.885 591 HB3 SER 75 HB1 SER 75 23.881 -6.435 20.411 592 HG SER 75 HG SER 75 25.838 -6.998 19.801 593 H GLY 76 HN GLY 76 26.609 -3.552 19.992 594 HA2 GLY 76 HA2 GLY 76 26.933 -1.675 22.208 595 HA3 GLY 76 HA1 GLY 76 28.084 -2.999 22.114 596 H GLY 77 HN GLY 77 26.888 -0.107 20.530 597 HA2 GLY 77 HA2 GLY 77 28.499 1.468 19.632 598 HA3 GLY 77 HA1 GLY 77 29.462 0.098 19.100 599 H SER 78 HN SER 78 29.526 0.163 16.959 600 HA SER 78 HA SER 78 27.107 0.853 15.449 601 HB2 SER 78 HB2 SER 78 29.988 0.630 14.542 602 HB3 SER 78 HB1 SER 78 28.635 1.116 13.522 603 HG SER 78 HG SER 78 29.566 2.463 15.842 604 H GLY 79 HN GLY 79 26.327 -0.449 13.777 605 HA2 GLY 79 HA2 GLY 79 26.979 -3.299 14.082 606 HA3 GLY 79 HA1 GLY 79 25.493 -2.651 13.401 607 H GLY 80 HN GLY 80 25.297 -2.935 11.298 608 HA2 GLY 80 HA2 GLY 80 27.580 -2.500 9.532 609 HA3 GLY 80 HA1 GLY 80 26.867 -4.105 9.507 610 H SER 81 HN SER 81 25.074 -4.468 8.331 611 HA SER 81 HA SER 81 24.012 -2.212 6.785 612 HB2 SER 81 HB2 SER 81 24.951 -4.210 5.579 613 HB3 SER 81 HB1 SER 81 23.639 -5.170 6.263 614 HG SER 81 HG SER 81 23.466 -4.033 4.047 615 H GLY 82 HN GLY 82 21.818 -1.801 6.624 616 HA2 GLY 82 HA2 GLY 82 20.172 -2.992 8.763 617 HA3 GLY 82 HA1 GLY 82 19.944 -1.384 8.092 618 H GLY 83 HN GLY 83 19.363 -1.318 5.734 619 HA2 GLY 83 HA2 GLY 83 18.260 -3.553 4.408 620 HA3 GLY 83 HA1 GLY 83 16.983 -2.710 5.269 621 H ASP 84 HN ASP 84 16.265 -2.597 2.929 622 HA ASP 84 HA ASP 84 17.505 -0.356 1.491 623 HB2 ASP 84 HB2 ASP 84 15.596 -2.519 0.592 624 HB3 ASP 84 HB1 ASP 84 16.014 -1.132 -0.409 625 H VAL 85 HN VAL 85 16.331 1.433 0.848 626 HA VAL 85 HA VAL 85 13.859 1.882 2.355 627 HB VAL 85 HB VAL 85 15.736 3.453 2.747 628 HG11 VAL 85 HG11 VAL 85 15.314 4.341 -0.102 629 HG12 VAL 85 HG12 VAL 85 16.746 3.542 0.546 630 HG13 VAL 85 HG13 VAL 85 16.318 5.163 1.094 631 HG21 VAL 85 HG21 VAL 85 13.237 4.650 1.575 632 HG22 VAL 85 HG22 VAL 85 14.428 5.557 2.507 633 HG23 VAL 85 HG23 VAL 85 13.541 4.231 3.260 634 H MET 86 HN MET 86 11.955 2.137 1.412 635 HA MET 86 HA MET 86 11.839 2.392 -1.524 636 HB2 MET 86 HB2 MET 86 10.151 0.727 0.339 637 HB3 MET 86 HB1 MET 86 9.626 1.126 -1.290 638 HG2 MET 86 HG2 MET 86 11.609 0.019 -2.198 639 HG3 MET 86 HG1 MET 86 12.127 -0.386 -0.561 640 HE1 MET 86 HE1 MET 86 11.016 -3.848 -2.054 641 HE2 MET 86 HE2 MET 86 12.328 -2.949 -1.292 642 HE3 MET 86 HE3 MET 86 11.797 -2.524 -2.919 643 H VAL 87 HN VAL 87 9.939 3.453 -2.390 644 HA VAL 87 HA VAL 87 9.062 5.677 -0.732 645 HB VAL 87 HB VAL 87 8.131 5.427 -3.551 646 HG11 VAL 87 HG11 VAL 87 9.223 7.700 -1.911 647 HG12 VAL 87 HG12 VAL 87 7.523 7.356 -2.225 648 HG13 VAL 87 HG13 VAL 87 8.585 7.837 -3.549 649 HG21 VAL 87 HG21 VAL 87 10.451 4.697 -3.774 650 HG22 VAL 87 HG22 VAL 87 10.995 6.116 -2.878 651 HG23 VAL 87 HG23 VAL 87 10.234 6.309 -4.458 652 H VAL 88 HN VAL 88 6.923 6.118 -0.213 653 HA VAL 88 HA VAL 88 5.162 3.917 0.094 654 HB VAL 88 HB VAL 88 4.283 6.805 0.267 655 HG11 VAL 88 HG11 VAL 88 3.395 4.332 1.752 656 HG12 VAL 88 HG12 VAL 88 2.505 5.159 0.473 657 HG13 VAL 88 HG13 VAL 88 2.780 5.964 2.019 658 HG21 VAL 88 HG21 VAL 88 5.674 5.241 2.441 659 HG22 VAL 88 HG22 VAL 88 4.993 6.862 2.590 660 HG23 VAL 88 HG23 VAL 88 6.376 6.580 1.531 661 H GLY 89 HN GLY 89 4.205 2.935 -1.547 662 HA2 GLY 89 HA2 GLY 89 3.590 4.117 -4.058 663 HA3 GLY 89 HA1 GLY 89 3.064 2.538 -3.512 664 H GLU 90 HN GLU 90 1.423 4.093 -5.072 665 HA GLU 90 HA GLU 90 -0.403 5.727 -3.661 666 HB2 GLU 90 HB2 GLU 90 -0.550 4.286 -6.298 667 HB3 GLU 90 HB1 GLU 90 -1.909 5.215 -5.682 668 HG2 GLU 90 HG2 GLU 90 -0.472 7.211 -5.596 669 HG3 GLU 90 HG1 GLU 90 0.847 6.266 -6.286 670 HA PRO 91 HA PRO 91 -3.082 2.648 -1.802 671 HB2 PRO 91 HB2 PRO 91 -5.485 4.217 -2.039 672 HB3 PRO 91 HB1 PRO 91 -4.463 3.995 -0.620 673 HG2 PRO 91 HG2 PRO 91 -4.734 6.378 -1.958 674 HG3 PRO 91 HG1 PRO 91 -3.321 5.941 -0.983 675 HD2 PRO 91 HD2 PRO 91 -3.680 5.847 -3.955 676 HD3 PRO 91 HD1 PRO 91 -2.269 6.351 -3.002 677 H THR 92 HN THR 92 -4.165 0.883 -2.458 678 HA THR 92 HA THR 92 -5.685 1.034 -4.981 679 HB THR 92 HB THR 92 -5.079 -1.426 -5.256 680 HG1 THR 92 HG1 THR 92 -4.264 -1.698 -3.098 681 HG21 THR 92 HG21 THR 92 -2.853 0.611 -5.402 682 HG22 THR 92 HG22 THR 92 -4.078 0.325 -6.638 683 HG23 THR 92 HG23 THR 92 -2.897 -0.930 -6.261 684 H LEU 93 HN LEU 93 -7.770 0.889 -4.565 685 HA LEU 93 HA LEU 93 -8.918 -0.226 -2.231 686 HB2 LEU 93 HB2 LEU 93 -10.130 0.542 -4.884 687 HB3 LEU 93 HB1 LEU 93 -11.079 0.008 -3.511 688 HG LEU 93 HG LEU 93 -9.231 2.319 -3.126 689 HD11 LEU 93 HD11 LEU 93 -10.963 3.862 -3.927 690 HD12 LEU 93 HD12 LEU 93 -11.898 2.490 -4.522 691 HD13 LEU 93 HD13 LEU 93 -10.323 2.855 -5.225 692 HD21 LEU 93 HD21 LEU 93 -10.460 1.433 -1.223 693 HD22 LEU 93 HD22 LEU 93 -11.982 1.633 -2.091 694 HD23 LEU 93 HD23 LEU 93 -11.036 3.049 -1.629 695 H MET 94 HN MET 94 -9.443 -2.228 -1.716 696 HA MET 94 HA MET 94 -9.420 -4.509 -1.754 697 HB2 MET 94 HB2 MET 94 -11.463 -3.705 -3.799 698 HB3 MET 94 HB1 MET 94 -11.193 -5.401 -3.427 699 HG2 MET 94 HG2 MET 94 -11.919 -3.297 -1.403 700 HG3 MET 94 HG1 MET 94 -13.062 -4.398 -2.171 701 HE1 MET 94 HE1 MET 94 -12.984 -4.228 0.952 702 HE2 MET 94 HE2 MET 94 -12.988 -5.939 1.376 703 HE3 MET 94 HE3 MET 94 -13.985 -5.358 0.043 704 H GLY 95 HN GLY 95 -9.898 -4.268 -5.282 705 HA2 GLY 95 HA2 GLY 95 -7.224 -5.302 -5.792 706 HA3 GLY 95 HA1 GLY 95 -8.553 -6.385 -6.180 707 H GLY 96 HN GLY 96 -6.973 -3.364 -6.970 708 HA2 GLY 96 HA2 GLY 96 -8.079 -3.525 -9.679 709 HA3 GLY 96 HA1 GLY 96 -8.336 -2.037 -8.781 710 H GLU 97 HN GLU 97 -6.737 -2.836 -11.254 711 HA GLU 97 HA GLU 97 -4.067 -1.947 -10.424 712 HB2 GLU 97 HB2 GLU 97 -5.073 -3.299 -12.923 713 HB3 GLU 97 HB1 GLU 97 -3.470 -2.584 -12.827 714 HG2 GLU 97 HG2 GLU 97 -2.917 -4.075 -10.970 715 HG3 GLU 97 HG1 GLU 97 -4.524 -4.793 -11.072 716 H PHE 98 HN PHE 98 -3.657 0.125 -10.529 717 HA PHE 98 HA PHE 98 -4.695 1.689 -12.788 718 HB2 PHE 98 HB2 PHE 98 -4.670 2.506 -9.878 719 HB3 PHE 98 HB1 PHE 98 -4.915 3.640 -11.199 720 HD1 PHE 98 HD2 PHE 98 -6.973 3.643 -12.475 721 HD2 PHE 98 HD1 PHE 98 -6.381 0.914 -9.262 722 HE1 PHE 98 HE2 PHE 98 -9.384 3.150 -12.455 723 HE2 PHE 98 HE1 PHE 98 -8.791 0.417 -9.237 724 HZ PHE 98 HZ PHE 98 -10.296 1.536 -10.834 725 H GLY 99 HN GLY 99 -2.706 1.415 -13.795 726 HA2 GLY 99 HA2 GLY 99 -0.459 2.898 -12.569 727 HA3 GLY 99 HA1 GLY 99 -0.240 1.502 -13.612 728 H ASP 100 HN ASP 100 -2.276 4.408 -13.927 729 HA ASP 100 HA ASP 100 -0.772 5.152 -16.334 730 HB2 ASP 100 HB2 ASP 100 -3.771 4.911 -16.086 731 HB3 ASP 100 HB1 ASP 100 -2.993 5.817 -17.379 732 H GLU 101 HN GLU 101 -1.549 6.055 -13.378 733 HA GLU 101 HA GLU 101 -2.298 8.823 -13.866 734 HB2 GLU 101 HB2 GLU 101 -1.858 7.222 -11.349 735 HB3 GLU 101 HB1 GLU 101 -2.126 8.958 -11.321 736 HG2 GLU 101 HG2 GLU 101 -4.234 8.095 -10.925 737 HG3 GLU 101 HG1 GLU 101 -4.266 8.434 -12.654 738 H ASP 102 HN ASP 102 0.546 6.965 -13.072 739 HA ASP 102 HA ASP 102 2.137 9.264 -12.316 740 HB2 ASP 102 HB2 ASP 102 2.719 6.328 -12.620 741 HB3 ASP 102 HB1 ASP 102 4.002 7.499 -12.340 742 H GLU 103 HN GLU 103 1.286 7.760 -15.240 743 HA GLU 103 HA GLU 103 3.705 8.389 -16.692 744 HB2 GLU 103 HB2 GLU 103 1.017 7.310 -17.520 745 HB3 GLU 103 HB1 GLU 103 2.258 7.722 -18.694 746 HG2 GLU 103 HG2 GLU 103 3.776 6.112 -17.659 747 HG3 GLU 103 HG1 GLU 103 2.533 5.701 -16.478 748 H ARG 104 HN ARG 104 0.487 9.789 -16.324 749 HA ARG 104 HA ARG 104 1.085 11.906 -18.245 750 HB2 ARG 104 HB2 ARG 104 -1.411 11.117 -16.760 751 HB3 ARG 104 HB1 ARG 104 -1.302 12.625 -17.655 752 HG2 ARG 104 HG2 ARG 104 -0.820 11.358 -19.704 753 HG3 ARG 104 HG1 ARG 104 -0.980 9.853 -18.793 754 HD2 ARG 104 HD2 ARG 104 -3.297 10.417 -18.264 755 HD3 ARG 104 HD1 ARG 104 -3.138 11.931 -19.153 756 HE ARG 104 HE ARG 104 -2.480 9.737 -20.814 757 HH11 ARG 104 HH11 ARG 104 -5.274 11.325 -19.399 758 HH12 ARG 104 HH12 ARG 104 -6.350 10.801 -20.651 759 HH21 ARG 104 HH21 ARG 104 -3.908 9.063 -22.443 760 HH22 ARG 104 HH22 ARG 104 -5.575 9.522 -22.372 761 H LEU 105 HN LEU 105 1.471 11.378 -14.949 762 HA LEU 105 HA LEU 105 1.107 14.170 -14.173 763 HB2 LEU 105 HB2 LEU 105 0.415 12.062 -12.805 764 HB3 LEU 105 HB1 LEU 105 2.105 12.007 -12.353 765 HG LEU 105 HG LEU 105 0.705 14.597 -11.949 766 HD11 LEU 105 HD11 LEU 105 -0.236 13.841 -9.816 767 HD12 LEU 105 HD12 LEU 105 0.219 12.183 -10.209 768 HD13 LEU 105 HD13 LEU 105 -0.982 13.023 -11.189 769 HD21 LEU 105 HD21 LEU 105 3.066 14.308 -11.372 770 HD22 LEU 105 HD22 LEU 105 2.641 12.985 -10.285 771 HD23 LEU 105 HD23 LEU 105 2.090 14.625 -9.938 772 H ILE 106 HN ILE 106 3.603 12.114 -15.258 773 HA ILE 106 HA ILE 106 5.746 13.524 -13.906 774 HB ILE 106 HB ILE 106 7.257 12.083 -15.371 775 HG12 ILE 106 HG12 ILE 106 5.660 9.886 -15.871 776 HG13 ILE 106 HG11 ILE 106 4.636 11.223 -16.382 777 HG21 ILE 106 HG21 ILE 106 5.365 10.753 -13.443 778 HG22 ILE 106 HG22 ILE 106 6.851 11.612 -13.038 779 HG23 ILE 106 HG23 ILE 106 6.925 10.109 -13.957 780 HD11 ILE 106 HD11 ILE 106 5.934 10.348 -18.233 781 HD12 ILE 106 HD12 ILE 106 7.428 10.667 -17.352 782 HD13 ILE 106 HD13 ILE 106 6.404 12.007 -17.866 783 H THR 107 HN THR 107 6.407 15.422 -14.548 784 HA THR 107 HA THR 107 6.908 15.942 -17.380 785 HB THR 107 HB THR 107 5.944 18.287 -17.083 786 HG1 THR 107 HG1 THR 107 4.620 16.980 -14.921 787 HG21 THR 107 HG21 THR 107 4.029 15.950 -17.090 788 HG22 THR 107 HG22 THR 107 4.865 16.612 -18.495 789 HG23 THR 107 HG23 THR 107 3.660 17.582 -17.646 790 H ARG 108 HN ARG 108 8.439 17.601 -17.765 791 HA ARG 108 HA ARG 108 10.087 18.250 -15.413 792 HB2 ARG 108 HB2 ARG 108 10.917 16.850 -17.515 793 HB3 ARG 108 HB1 ARG 108 11.169 18.454 -18.189 794 HG2 ARG 108 HG2 ARG 108 12.641 19.024 -16.340 795 HG3 ARG 108 HG1 ARG 108 12.356 17.442 -15.610 796 HD2 ARG 108 HD2 ARG 108 13.331 16.368 -17.589 797 HD3 ARG 108 HD1 ARG 108 13.636 17.955 -18.293 798 HE ARG 108 HE ARG 108 14.878 17.998 -15.846 799 HH11 ARG 108 HH11 ARG 108 15.159 16.006 -18.724 800 HH12 ARG 108 HH12 ARG 108 16.836 15.661 -18.461 801 HH21 ARG 108 HH21 ARG 108 17.073 17.534 -15.522 802 HH22 ARG 108 HH22 ARG 108 17.918 16.526 -16.650 803 H LEU 109 HN LEU 109 9.875 20.254 -14.728 804 HA LEU 109 HA LEU 109 9.750 22.455 -16.668 805 HB2 LEU 109 HB2 LEU 109 7.940 22.081 -14.282 806 HB3 LEU 109 HB1 LEU 109 8.137 23.617 -15.102 807 HG LEU 109 HG LEU 109 7.454 22.136 -17.217 808 HD11 LEU 109 HD11 LEU 109 7.274 20.047 -15.996 809 HD12 LEU 109 HD12 LEU 109 5.692 20.549 -16.593 810 HD13 LEU 109 HD13 LEU 109 6.103 20.770 -14.894 811 HD21 LEU 109 HD21 LEU 109 5.151 22.911 -16.876 812 HD22 LEU 109 HD22 LEU 109 6.332 24.163 -16.492 813 HD23 LEU 109 HD23 LEU 109 5.533 23.277 -15.194 814 H GLU 110 HN GLU 110 10.624 24.422 -15.959 815 HA GLU 110 HA GLU 110 12.391 24.186 -13.617 816 HB2 GLU 110 HB2 GLU 110 12.630 25.792 -16.159 817 HB3 GLU 110 HB1 GLU 110 13.628 26.118 -14.750 818 HG2 GLU 110 HG2 GLU 110 14.516 23.843 -14.851 819 HG3 GLU 110 HG1 GLU 110 13.517 23.520 -16.267 820 H ASN 111 HN ASN 111 12.017 25.408 -11.902 821 HA ASN 111 HA ASN 111 10.483 27.901 -12.204 822 HB2 ASN 111 HB2 ASN 111 10.028 25.713 -10.170 823 HB3 ASN 111 HB1 ASN 111 9.399 27.346 -9.975 824 HD21 ASN 111 HD21 ASN 111 7.762 28.071 -11.333 825 HD22 ASN 111 HD22 ASN 111 6.806 26.985 -12.279 826 H THR 112 HN THR 112 11.376 29.605 -11.262 827 HA THR 112 HA THR 112 13.479 29.173 -9.237 828 HB THR 112 HB THR 112 14.438 31.380 -10.072 829 HG1 THR 112 HG1 THR 112 12.363 31.638 -11.421 830 HG21 THR 112 HG21 THR 112 15.651 30.327 -11.930 831 HG22 THR 112 HG22 THR 112 14.471 29.017 -11.955 832 HG23 THR 112 HG23 THR 112 15.513 29.238 -10.549 833 H GLN 113 HN GLN 113 13.598 30.596 -7.510 834 HA GLN 113 HA GLN 113 11.348 32.473 -7.199 835 HB2 GLN 113 HB2 GLN 113 12.437 30.495 -5.197 836 HB3 GLN 113 HB1 GLN 113 11.455 31.871 -4.718 837 HG2 GLN 113 HG2 GLN 113 10.483 29.906 -6.762 838 HG3 GLN 113 HG1 GLN 113 10.312 29.597 -5.036 839 HE21 GLN 113 HE21 GLN 113 9.308 31.570 -7.714 840 HE22 GLN 113 HE22 GLN 113 7.948 32.297 -6.935 841 H PHE 114 HN PHE 114 11.942 34.481 -6.797 842 HA PHE 114 HA PHE 114 14.495 35.006 -5.435 843 HB2 PHE 114 HB2 PHE 114 14.464 35.309 -8.039 844 HB3 PHE 114 HB1 PHE 114 13.581 36.787 -7.676 845 HD1 PHE 114 HD1 PHE 114 14.670 38.647 -6.574 846 HD2 PHE 114 HD2 PHE 114 16.799 35.070 -7.458 847 HE1 PHE 114 HE1 PHE 114 16.797 39.817 -6.171 848 HE2 PHE 114 HE2 PHE 114 18.929 36.232 -7.055 849 HZ PHE 114 HZ PHE 114 18.930 38.609 -6.411 850 H ASP 115 HN ASP 115 14.609 37.029 -4.327 851 HA ASP 115 HA ASP 115 11.993 37.966 -3.405 852 HB2 ASP 115 HB2 ASP 115 14.774 38.239 -2.258 853 HB3 ASP 115 HB1 ASP 115 13.379 39.082 -1.593 854 H ALA 116 HN ALA 116 11.215 39.923 -3.842 855 HA ALA 116 HA ALA 116 13.012 41.940 -5.023 856 HB1 ALA 116 HB1 ALA 116 11.240 42.606 -6.550 857 HB2 ALA 116 HB2 ALA 116 10.181 41.362 -5.888 858 HB3 ALA 116 HB3 ALA 116 11.639 40.902 -6.767 859 H ALA 117 HN ALA 117 10.099 41.303 -3.139 860 HA ALA 117 HA ALA 117 9.773 44.114 -2.447 861 HB1 ALA 117 HB1 ALA 117 8.167 41.715 -1.577 862 HB2 ALA 117 HB2 ALA 117 7.793 42.763 -2.946 863 HB3 ALA 117 HB3 ALA 117 7.749 43.407 -1.304 864 H ASN 118 HN ASN 118 10.732 41.076 -0.913 865 HA ASN 118 HA ASN 118 11.173 42.422 1.645 866 HB2 ASN 118 HB2 ASN 118 11.247 39.515 0.829 867 HB3 ASN 118 HB1 ASN 118 11.743 40.073 2.424 868 HD21 ASN 118 HD21 ASN 118 10.198 40.873 3.846 869 HD22 ASN 118 HD22 ASN 118 8.509 40.591 3.618 870 H GLY 119 HN GLY 119 13.106 43.030 2.358 871 HA2 GLY 119 HA2 GLY 119 15.531 42.032 2.385 872 HA3 GLY 119 HA1 GLY 119 15.449 42.476 0.687 873 H ILE 120 HN ILE 120 14.814 43.896 3.890 874 HA ILE 120 HA ILE 120 16.091 46.379 2.947 875 HB ILE 120 HB ILE 120 14.678 47.538 4.751 876 HG12 ILE 120 HG12 ILE 120 12.325 46.262 4.776 877 HG13 ILE 120 HG11 ILE 120 13.373 44.851 4.683 878 HG21 ILE 120 HG21 ILE 120 13.371 46.458 2.264 879 HG22 ILE 120 HG22 ILE 120 14.373 47.904 2.386 880 HG23 ILE 120 HG23 ILE 120 12.808 47.845 3.196 881 HD11 ILE 120 HD11 ILE 120 12.789 45.367 6.980 882 HD12 ILE 120 HD12 ILE 120 13.466 46.985 6.804 883 HD13 ILE 120 HD13 ILE 120 14.520 45.574 6.713 884 H ASP 121 HN ASP 121 17.322 47.585 4.445 885 HA ASP 121 HA ASP 121 18.173 46.115 6.852 886 HB2 ASP 121 HB2 ASP 121 19.916 47.464 4.785 887 HB3 ASP 121 HB1 ASP 121 20.497 47.028 6.390 888 H ASP 122 HN ASP 122 18.653 47.321 8.647 889 HA ASP 122 HA ASP 122 17.808 50.130 8.557 890 HB2 ASP 122 HB2 ASP 122 18.007 48.148 10.828 891 HB3 ASP 122 HB1 ASP 122 17.695 49.862 11.080 892 H GLU 123 HN GLU 123 19.122 51.775 9.098 893 HA GLU 123 HA GLU 123 21.938 51.135 9.609 894 HB2 GLU 123 HB2 GLU 123 20.579 53.583 8.491 895 HB3 GLU 123 HB1 GLU 123 22.264 53.597 8.991 896 HG2 GLU 123 HG2 GLU 123 22.758 51.831 7.375 897 HG3 GLU 123 HG1 GLU 123 21.068 51.821 6.873 Start of MODEL 8 1 H TYR 1 HT1 TYR 1 -21.173 -11.944 -12.118 2 HA TYR 1 HA TYR 1 -22.269 -11.159 -10.125 3 HB2 TYR 1 HB2 TYR 1 -20.125 -13.257 -9.748 4 HB3 TYR 1 HB1 TYR 1 -21.397 -12.953 -8.569 5 HD1 TYR 1 HD1 TYR 1 -23.699 -13.590 -9.032 6 HD2 TYR 1 HD2 TYR 1 -20.618 -14.330 -11.871 7 HE1 TYR 1 HE1 TYR 1 -25.191 -15.123 -10.242 8 HE2 TYR 1 HE2 TYR 1 -22.101 -15.865 -13.090 9 HH TYR 1 HH TYR 1 -24.089 -17.247 -12.645 10 H LEU 2 HN LEU 2 -18.733 -10.999 -9.932 11 HA LEU 2 HA LEU 2 -17.273 -9.765 -8.718 12 HB2 LEU 2 HB2 LEU 2 -19.688 -8.032 -8.188 13 HB3 LEU 2 HB1 LEU 2 -18.055 -7.610 -7.712 14 HG LEU 2 HG LEU 2 -18.602 -8.209 -10.589 15 HD11 LEU 2 HD11 LEU 2 -19.233 -5.596 -9.225 16 HD12 LEU 2 HD12 LEU 2 -20.395 -6.690 -9.975 17 HD13 LEU 2 HD13 LEU 2 -19.196 -5.862 -10.968 18 HD21 LEU 2 HD21 LEU 2 -16.303 -7.839 -9.846 19 HD22 LEU 2 HD22 LEU 2 -16.765 -6.276 -9.172 20 HD23 LEU 2 HD23 LEU 2 -16.839 -6.542 -10.914 21 H ARG 3 HN ARG 3 -16.327 -9.910 -6.773 22 HA ARG 3 HA ARG 3 -17.468 -11.541 -4.764 23 HB2 ARG 3 HB2 ARG 3 -14.969 -9.864 -4.853 24 HB3 ARG 3 HB1 ARG 3 -15.411 -10.804 -3.436 25 HG2 ARG 3 HG2 ARG 3 -15.367 -12.849 -4.776 26 HG3 ARG 3 HG1 ARG 3 -14.920 -11.904 -6.197 27 HD2 ARG 3 HD2 ARG 3 -12.867 -11.189 -5.076 28 HD3 ARG 3 HD1 ARG 3 -13.316 -12.128 -3.652 29 HE ARG 3 HE ARG 3 -13.303 -13.844 -5.858 30 HH11 ARG 3 HH11 ARG 3 -10.985 -12.002 -3.968 31 HH12 ARG 3 HH12 ARG 3 -9.681 -13.096 -4.289 32 HH21 ARG 3 HH21 ARG 3 -11.581 -15.262 -6.265 33 HH22 ARG 3 HH22 ARG 3 -10.019 -14.939 -5.589 34 H LEU 4 HN LEU 4 -18.104 -11.097 -2.659 35 HA LEU 4 HA LEU 4 -19.048 -8.352 -2.204 36 HB2 LEU 4 HB2 LEU 4 -19.969 -10.994 -1.079 37 HB3 LEU 4 HB1 LEU 4 -20.553 -9.447 -0.500 38 HG LEU 4 HG LEU 4 -21.156 -9.102 -3.059 39 HD11 LEU 4 HD11 LEU 4 -20.170 -11.198 -3.820 40 HD12 LEU 4 HD12 LEU 4 -21.913 -11.183 -4.089 41 HD13 LEU 4 HD13 LEU 4 -21.235 -12.101 -2.743 42 HD21 LEU 4 HD21 LEU 4 -22.743 -9.022 -1.227 43 HD22 LEU 4 HD22 LEU 4 -22.761 -10.784 -1.140 44 HD23 LEU 4 HD23 LEU 4 -23.400 -9.966 -2.565 45 H PHE 5 HN PHE 5 -16.637 -10.470 -1.213 46 HA PHE 5 HA PHE 5 -16.460 -9.493 1.526 47 HB2 PHE 5 HB2 PHE 5 -14.850 -11.515 -0.038 48 HB3 PHE 5 HB1 PHE 5 -14.432 -11.018 1.598 49 HD1 PHE 5 HD2 PHE 5 -16.794 -12.886 -0.470 50 HD2 PHE 5 HD1 PHE 5 -15.783 -11.690 3.488 51 HE1 PHE 5 HE2 PHE 5 -18.335 -14.579 0.432 52 HE2 PHE 5 HE1 PHE 5 -17.322 -13.382 4.396 53 HZ PHE 5 HZ PHE 5 -18.600 -14.829 2.868 54 H GLY 6 HN GLY 6 -14.516 -8.523 2.371 55 HA2 GLY 6 HA2 GLY 6 -13.373 -6.590 0.508 56 HA3 GLY 6 HA1 GLY 6 -13.255 -6.545 2.259 57 H GLN 7 HN GLN 7 -11.501 -7.409 3.258 58 HA GLN 7 HA GLN 7 -9.533 -8.819 1.584 59 HB2 GLN 7 HB2 GLN 7 -9.180 -6.388 3.262 60 HB3 GLN 7 HB1 GLN 7 -7.863 -7.559 3.240 61 HG2 GLN 7 HG2 GLN 7 -7.247 -6.989 1.155 62 HG3 GLN 7 HG1 GLN 7 -8.911 -6.879 0.587 63 HE21 GLN 7 HE21 GLN 7 -6.240 -5.166 1.990 64 HE22 GLN 7 HE22 GLN 7 -6.892 -3.575 1.795 65 H ASP 8 HN ASP 8 -8.525 -10.502 2.447 66 HA ASP 8 HA ASP 8 -9.388 -11.445 5.077 67 HB2 ASP 8 HB2 ASP 8 -7.993 -12.773 2.757 68 HB3 ASP 8 HB1 ASP 8 -8.236 -13.575 4.305 69 H GLY 9 HN GLY 9 -6.861 -9.760 3.735 70 HA2 GLY 9 HA2 GLY 9 -4.734 -10.853 5.386 71 HA3 GLY 9 HA1 GLY 9 -4.578 -9.575 4.191 72 H LEU 10 HN LEU 10 -5.479 -10.369 7.429 73 HA LEU 10 HA LEU 10 -6.316 -7.944 8.477 74 HB2 LEU 10 HB2 LEU 10 -4.725 -10.142 9.795 75 HB3 LEU 10 HB1 LEU 10 -5.448 -8.805 10.668 76 HG LEU 10 HG LEU 10 -7.607 -9.765 9.318 77 HD11 LEU 10 HD11 LEU 10 -6.352 -11.646 8.409 78 HD12 LEU 10 HD12 LEU 10 -7.600 -12.192 9.530 79 HD13 LEU 10 HD13 LEU 10 -5.913 -12.149 10.042 80 HD21 LEU 10 HD21 LEU 10 -6.569 -10.613 12.018 81 HD22 LEU 10 HD22 LEU 10 -8.229 -10.813 11.460 82 HD23 LEU 10 HD23 LEU 10 -7.556 -9.194 11.666 83 H CYS 11 HN CYS 11 -5.179 -6.434 9.947 84 HA CYS 11 HA CYS 11 -2.988 -5.218 8.647 85 HB2 CYS 11 HB2 CYS 11 -4.678 -4.039 10.032 86 HB3 CYS 11 HB1 CYS 11 -3.940 -4.741 11.469 87 H ALA 12 HN ALA 12 -0.899 -5.287 8.888 88 HA ALA 12 HA ALA 12 0.404 -7.391 10.253 89 HB1 ALA 12 HB1 ALA 12 2.324 -6.683 9.214 90 HB2 ALA 12 HB2 ALA 12 1.901 -4.978 9.357 91 HB3 ALA 12 HB3 ALA 12 1.092 -5.987 8.160 92 H SER 13 HN SER 13 -0.153 -4.021 11.111 93 HA SER 13 HA SER 13 1.582 -4.191 13.443 94 HB2 SER 13 HB2 SER 13 0.899 -1.788 13.778 95 HB3 SER 13 HB1 SER 13 1.714 -2.116 12.250 96 HG SER 13 HG SER 13 -0.029 -0.943 11.682 97 H CYS 14 HN CYS 14 -1.876 -3.460 12.822 98 HA CYS 14 HA CYS 14 -2.433 -4.135 15.624 99 HB2 CYS 14 HB2 CYS 14 -4.357 -2.804 15.539 100 HB3 CYS 14 HB1 CYS 14 -3.196 -1.902 14.578 101 H ASP 15 HN ASP 15 -4.225 -5.503 16.141 102 HA ASP 15 HA ASP 15 -4.523 -7.668 14.217 103 HB2 ASP 15 HB2 ASP 15 -5.517 -8.921 16.164 104 HB3 ASP 15 HB1 ASP 15 -3.855 -8.401 16.400 105 H LYS 16 HN LYS 16 -5.841 -5.768 13.109 106 HA LYS 16 HA LYS 16 -8.681 -6.207 13.767 107 HB2 LYS 16 HB2 LYS 16 -7.531 -3.815 14.035 108 HB3 LYS 16 HB1 LYS 16 -7.849 -3.742 12.313 109 HG2 LYS 16 HG2 LYS 16 -9.749 -2.773 13.126 110 HG3 LYS 16 HG1 LYS 16 -10.266 -4.457 13.035 111 HD2 LYS 16 HD2 LYS 16 -9.749 -4.741 15.416 112 HD3 LYS 16 HD1 LYS 16 -9.234 -3.055 15.504 113 HE2 LYS 16 HE2 LYS 16 -11.487 -2.334 14.888 114 HE3 LYS 16 HE1 LYS 16 -12.002 -4.018 14.787 115 HZ1 LYS 16 HZ1 LYS 16 -11.025 -2.650 17.236 116 HZ2 LYS 16 HZ2 LYS 16 -11.512 -4.266 17.143 117 HZ3 LYS 16 HZ3 LYS 16 -12.638 -3.029 16.892 118 H ARG 17 HN ARG 17 -10.003 -6.821 12.141 119 HA ARG 17 HA ARG 17 -8.912 -7.921 9.780 120 HB2 ARG 17 HB2 ARG 17 -11.769 -7.346 10.573 121 HB3 ARG 17 HB1 ARG 17 -11.322 -8.221 9.116 122 HG2 ARG 17 HG2 ARG 17 -10.038 -9.334 11.458 123 HG3 ARG 17 HG1 ARG 17 -11.794 -9.308 11.622 124 HD2 ARG 17 HD2 ARG 17 -12.002 -10.453 9.464 125 HD3 ARG 17 HD1 ARG 17 -10.246 -10.481 9.312 126 HE ARG 17 HE ARG 17 -10.910 -11.696 11.732 127 HH11 ARG 17 HH11 ARG 17 -11.337 -12.338 8.305 128 HH12 ARG 17 HH12 ARG 17 -11.372 -14.056 8.515 129 HH21 ARG 17 HH21 ARG 17 -10.958 -13.949 11.981 130 HH22 ARG 17 HH22 ARG 17 -11.158 -14.966 10.594 131 H ILE 18 HN ILE 18 -8.379 -6.999 7.921 132 HA ILE 18 HA ILE 18 -9.022 -4.239 7.386 133 HB ILE 18 HB ILE 18 -7.376 -6.279 5.871 134 HG12 ILE 18 HG12 ILE 18 -6.622 -3.695 7.280 135 HG13 ILE 18 HG11 ILE 18 -6.394 -5.306 7.942 136 HG21 ILE 18 HG21 ILE 18 -8.681 -4.483 4.458 137 HG22 ILE 18 HG22 ILE 18 -6.997 -4.861 4.100 138 HG23 ILE 18 HG23 ILE 18 -7.397 -3.413 5.029 139 HD11 ILE 18 HD11 ILE 18 -5.059 -4.310 5.434 140 HD12 ILE 18 HD12 ILE 18 -4.733 -5.814 6.296 141 HD13 ILE 18 HD13 ILE 18 -4.335 -4.266 7.041 142 H ARG 19 HN ARG 19 -10.757 -3.547 6.369 143 HA ARG 19 HA ARG 19 -12.187 -5.347 4.526 144 HB2 ARG 19 HB2 ARG 19 -14.307 -4.210 5.280 145 HB3 ARG 19 HB1 ARG 19 -13.537 -5.220 6.490 146 HG2 ARG 19 HG2 ARG 19 -12.608 -3.201 7.556 147 HG3 ARG 19 HG1 ARG 19 -13.439 -2.207 6.357 148 HD2 ARG 19 HD2 ARG 19 -15.590 -3.076 7.123 149 HD3 ARG 19 HD1 ARG 19 -14.766 -4.091 8.306 150 HE ARG 19 HE ARG 19 -14.086 -1.342 8.619 151 HH11 ARG 19 HH11 ARG 19 -16.615 -3.667 9.354 152 HH12 ARG 19 HH12 ARG 19 -17.191 -2.777 10.725 153 HH21 ARG 19 HH21 ARG 19 -14.858 -0.196 10.416 154 HH22 ARG 19 HH22 ARG 19 -16.198 -0.814 11.324 155 H ALA 20 HN ALA 20 -14.017 -3.717 3.391 156 HA ALA 20 HA ALA 20 -12.657 -2.351 1.389 157 HB1 ALA 20 HB1 ALA 20 -14.947 -3.204 1.200 158 HB2 ALA 20 HB2 ALA 20 -14.816 -1.525 0.679 159 HB3 ALA 20 HB3 ALA 20 -15.507 -1.907 2.256 160 H TYR 21 HN TYR 21 -13.049 -1.273 4.544 161 HA TYR 21 HA TYR 21 -13.321 1.550 4.115 162 HB2 TYR 21 HB2 TYR 21 -14.053 0.456 6.193 163 HB3 TYR 21 HB1 TYR 21 -12.402 -0.036 6.531 164 HD1 TYR 21 HD1 TYR 21 -10.740 1.617 7.284 165 HD2 TYR 21 HD2 TYR 21 -14.808 2.701 6.639 166 HE1 TYR 21 HE1 TYR 21 -10.395 3.680 8.585 167 HE2 TYR 21 HE2 TYR 21 -14.468 4.769 7.927 168 HH TYR 21 HH TYR 21 -11.393 5.916 8.788 169 H GLU 22 HN GLU 22 -10.750 -0.565 3.641 170 HA GLU 22 HA GLU 22 -8.627 1.138 4.498 171 HB2 GLU 22 HB2 GLU 22 -7.128 -0.585 3.608 172 HB3 GLU 22 HB1 GLU 22 -8.331 -1.270 4.686 173 HG2 GLU 22 HG2 GLU 22 -8.335 -2.815 3.004 174 HG3 GLU 22 HG1 GLU 22 -9.617 -1.740 2.458 175 H MET 23 HN MET 23 -7.010 1.847 3.175 176 HA MET 23 HA MET 23 -7.330 2.239 0.357 177 HB2 MET 23 HB2 MET 23 -7.896 4.290 2.434 178 HB3 MET 23 HB1 MET 23 -7.040 4.845 0.985 179 HG2 MET 23 HG2 MET 23 -8.977 3.570 -0.219 180 HG3 MET 23 HG1 MET 23 -9.800 3.781 1.318 181 HE1 MET 23 HE1 MET 23 -11.767 5.208 0.353 182 HE2 MET 23 HE2 MET 23 -11.110 4.914 -1.257 183 HE3 MET 23 HE3 MET 23 -11.545 6.551 -0.768 184 H THR 24 HN THR 24 -5.508 0.774 1.300 185 HA THR 24 HA THR 24 -3.080 2.341 1.853 186 HB THR 24 HB THR 24 -2.170 0.374 2.960 187 HG1 THR 24 HG1 THR 24 -4.266 -0.866 1.693 188 HG21 THR 24 HG21 THR 24 -4.816 0.311 4.239 189 HG22 THR 24 HG22 THR 24 -4.184 1.936 3.964 190 HG23 THR 24 HG23 THR 24 -3.246 0.776 4.903 191 H MET 25 HN MET 25 -1.035 1.145 1.165 192 HA MET 25 HA MET 25 -1.359 0.153 -1.582 193 HB2 MET 25 HB2 MET 25 1.061 0.815 -1.863 194 HB3 MET 25 HB1 MET 25 -0.048 2.148 -1.602 195 HG2 MET 25 HG2 MET 25 1.842 2.661 -0.324 196 HG3 MET 25 HG1 MET 25 0.660 2.066 0.840 197 HE1 MET 25 HE1 MET 25 3.964 0.770 2.427 198 HE2 MET 25 HE2 MET 25 2.459 1.652 2.688 199 HE3 MET 25 HE3 MET 25 3.695 2.315 1.620 200 H ARG 26 HN ARG 26 0.343 -1.460 -2.292 201 HA ARG 26 HA ARG 26 0.473 -3.583 -0.312 202 HB2 ARG 26 HB2 ARG 26 0.880 -3.445 -3.277 203 HB3 ARG 26 HB1 ARG 26 1.487 -4.827 -2.375 204 HG2 ARG 26 HG2 ARG 26 -0.717 -5.375 -1.609 205 HG3 ARG 26 HG1 ARG 26 -1.375 -3.895 -2.309 206 HD2 ARG 26 HD2 ARG 26 0.000 -5.981 -3.979 207 HD3 ARG 26 HD1 ARG 26 -1.722 -6.067 -3.607 208 HE ARG 26 HE ARG 26 -1.292 -3.535 -4.603 209 HH11 ARG 26 HH11 ARG 26 -0.892 -6.801 -5.828 210 HH12 ARG 26 HH12 ARG 26 -1.163 -6.340 -7.476 211 HH21 ARG 26 HH21 ARG 26 -1.645 -2.953 -6.766 212 HH22 ARG 26 HH22 ARG 26 -1.589 -4.163 -8.005 213 H VAL 27 HN VAL 27 2.150 -3.946 0.916 214 HA VAL 27 HA VAL 27 4.733 -2.719 0.304 215 HB VAL 27 HB VAL 27 4.174 -4.220 2.866 216 HG11 VAL 27 HG11 VAL 27 6.412 -3.511 2.751 217 HG12 VAL 27 HG12 VAL 27 5.615 -2.308 3.763 218 HG13 VAL 27 HG13 VAL 27 5.974 -1.942 2.076 219 HG21 VAL 27 HG21 VAL 27 2.259 -2.802 2.733 220 HG22 VAL 27 HG22 VAL 27 3.234 -1.432 2.210 221 HG23 VAL 27 HG23 VAL 27 3.394 -2.049 3.853 222 H LYS 28 HN LYS 28 6.626 -4.280 1.314 223 HA LYS 28 HA LYS 28 7.244 -6.155 -0.567 224 HB2 LYS 28 HB2 LYS 28 8.159 -5.872 2.277 225 HB3 LYS 28 HB1 LYS 28 8.814 -7.119 1.226 226 HG2 LYS 28 HG2 LYS 28 9.553 -5.385 -0.348 227 HG3 LYS 28 HG1 LYS 28 8.925 -4.148 0.741 228 HD2 LYS 28 HD2 LYS 28 10.462 -4.914 2.489 229 HD3 LYS 28 HD1 LYS 28 11.091 -6.146 1.393 230 HE2 LYS 28 HE2 LYS 28 11.830 -4.376 -0.144 231 HE3 LYS 28 HE1 LYS 28 11.233 -3.160 0.985 232 HZ1 LYS 28 HZ1 LYS 28 12.808 -3.961 2.629 233 HZ2 LYS 28 HZ2 LYS 28 13.614 -3.499 1.217 234 HZ3 LYS 28 HZ3 LYS 28 13.375 -5.139 1.554 235 H ASP 29 HN ASP 29 6.303 -7.200 2.748 236 HA ASP 29 HA ASP 29 5.167 -9.621 1.509 237 HB2 ASP 29 HB2 ASP 29 6.729 -9.333 4.071 238 HB3 ASP 29 HB1 ASP 29 5.754 -10.753 3.714 239 H LYS 30 HN LYS 30 4.915 -7.425 4.296 240 HA LYS 30 HA LYS 30 2.161 -8.365 4.734 241 HB2 LYS 30 HB2 LYS 30 3.991 -6.862 6.615 242 HB3 LYS 30 HB1 LYS 30 2.372 -7.413 6.992 243 HG2 LYS 30 HG2 LYS 30 4.524 -9.337 6.184 244 HG3 LYS 30 HG1 LYS 30 4.362 -8.785 7.851 245 HD2 LYS 30 HD2 LYS 30 2.951 -10.522 8.102 246 HD3 LYS 30 HD1 LYS 30 1.788 -9.538 7.215 247 HE2 LYS 30 HE2 LYS 30 1.806 -11.629 6.132 248 HE3 LYS 30 HE1 LYS 30 2.749 -10.556 5.101 249 HZ1 LYS 30 HZ1 LYS 30 3.827 -12.698 5.361 250 HZ2 LYS 30 HZ2 LYS 30 3.866 -12.509 7.041 251 HZ3 LYS 30 HZ3 LYS 30 4.772 -11.477 6.054 252 H VAL 31 HN VAL 31 0.496 -6.862 5.164 253 HA VAL 31 HA VAL 31 0.935 -4.209 3.958 254 HB VAL 31 HB VAL 31 -1.772 -5.519 4.294 255 HG11 VAL 31 HG11 VAL 31 -1.817 -3.122 3.887 256 HG12 VAL 31 HG12 VAL 31 -2.433 -3.993 2.482 257 HG13 VAL 31 HG13 VAL 31 -0.801 -3.326 2.460 258 HG21 VAL 31 HG21 VAL 31 -1.657 -6.229 1.948 259 HG22 VAL 31 HG22 VAL 31 -0.430 -7.029 2.929 260 HG23 VAL 31 HG23 VAL 31 0.022 -5.693 1.871 261 H TYR 32 HN TYR 32 0.001 -2.368 4.946 262 HA TYR 32 HA TYR 32 -0.836 -2.695 7.757 263 HB2 TYR 32 HB2 TYR 32 1.058 -0.591 6.676 264 HB3 TYR 32 HB1 TYR 32 0.450 -0.656 8.323 265 HD1 TYR 32 HD1 TYR 32 2.489 -2.557 5.856 266 HD2 TYR 32 HD2 TYR 32 1.605 -1.871 9.958 267 HE1 TYR 32 HE1 TYR 32 4.416 -3.942 6.490 268 HE2 TYR 32 HE2 TYR 32 3.529 -3.256 10.609 269 HH TYR 32 HH TYR 32 5.925 -4.227 8.410 270 H HIS 33 HN HIS 33 -2.310 -1.164 8.554 271 HA HIS 33 HA HIS 33 -4.185 -0.070 6.728 272 HB2 HIS 33 HB2 HIS 33 -3.762 0.152 9.691 273 HB3 HIS 33 HB1 HIS 33 -4.915 1.216 8.906 274 HD2 HIS 33 HD2 HIS 33 -6.790 -0.614 7.224 275 HE1 HIS 33 HE1 HIS 33 -6.838 -3.305 10.509 276 HE2 HIS 33 HE2 HIS 33 -8.030 -2.545 8.421 277 H LEU 34 HN LEU 34 -4.824 2.218 6.553 278 HA LEU 34 HA LEU 34 -2.656 3.929 5.927 279 HB2 LEU 34 HB2 LEU 34 -4.417 5.695 5.636 280 HB3 LEU 34 HB1 LEU 34 -4.658 4.243 4.691 281 HG LEU 34 HG LEU 34 -6.076 4.365 7.298 282 HD11 LEU 34 HD11 LEU 34 -6.376 6.641 6.501 283 HD12 LEU 34 HD12 LEU 34 -7.880 5.729 6.354 284 HD13 LEU 34 HD13 LEU 34 -6.891 6.036 4.925 285 HD21 LEU 34 HD21 LEU 34 -7.842 3.308 5.976 286 HD22 LEU 34 HD22 LEU 34 -6.314 2.447 5.806 287 HD23 LEU 34 HD23 LEU 34 -6.873 3.510 4.517 288 H GLU 35 HN GLU 35 -4.977 3.906 8.606 289 HA GLU 35 HA GLU 35 -3.945 6.134 10.018 290 HB2 GLU 35 HB2 GLU 35 -5.574 3.775 10.980 291 HB3 GLU 35 HB1 GLU 35 -5.228 5.196 11.952 292 HG2 GLU 35 HG2 GLU 35 -6.387 6.573 10.227 293 HG3 GLU 35 HG1 GLU 35 -6.850 5.075 9.419 294 H CYS 36 HN CYS 36 -3.120 2.732 9.988 295 HA CYS 36 HA CYS 36 -1.405 2.877 12.318 296 HB2 CYS 36 HB2 CYS 36 -1.665 0.595 10.353 297 HB3 CYS 36 HB1 CYS 36 -1.060 0.522 12.004 298 H PHE 37 HN PHE 37 -1.022 3.917 9.223 299 HA PHE 37 HA PHE 37 1.746 3.072 8.867 300 HB2 PHE 37 HB2 PHE 37 -0.047 3.249 6.999 301 HB3 PHE 37 HB1 PHE 37 0.243 4.980 7.073 302 HD1 PHE 37 HD1 PHE 37 2.049 1.745 6.623 303 HD2 PHE 37 HD2 PHE 37 1.904 5.913 5.749 304 HE1 PHE 37 HE1 PHE 37 3.939 1.482 5.072 305 HE2 PHE 37 HE2 PHE 37 3.802 5.650 4.201 306 HZ PHE 37 HZ PHE 37 4.818 3.436 3.862 307 H LYS 38 HN LYS 38 1.940 4.296 11.064 308 HA LYS 38 HA LYS 38 2.776 7.066 10.515 309 HB2 LYS 38 HB2 LYS 38 2.306 7.541 12.944 310 HB3 LYS 38 HB1 LYS 38 0.889 7.229 11.958 311 HG2 LYS 38 HG2 LYS 38 0.757 4.956 12.862 312 HG3 LYS 38 HG1 LYS 38 2.192 5.263 13.842 313 HD2 LYS 38 HD2 LYS 38 1.002 7.061 15.009 314 HD3 LYS 38 HD1 LYS 38 -0.431 6.748 14.028 315 HE2 LYS 38 HE2 LYS 38 -0.562 4.483 14.945 316 HE3 LYS 38 HE1 LYS 38 0.873 4.793 15.920 317 HZ1 LYS 38 HZ1 LYS 38 -1.712 6.240 16.140 318 HZ2 LYS 38 HZ2 LYS 38 -0.336 6.539 17.076 319 HZ3 LYS 38 HZ3 LYS 38 -1.146 5.061 17.214 320 H CYS 39 HN CYS 39 4.504 7.896 11.970 321 HA CYS 39 HA CYS 39 6.780 6.216 11.922 322 HB2 CYS 39 HB2 CYS 39 6.822 8.730 11.753 323 HB3 CYS 39 HB1 CYS 39 6.495 8.790 13.480 324 H ALA 40 HN ALA 40 8.006 5.311 13.568 325 HA ALA 40 HA ALA 40 6.519 4.542 15.952 326 HB1 ALA 40 HB1 ALA 40 7.983 2.762 16.165 327 HB2 ALA 40 HB2 ALA 40 9.300 3.616 15.361 328 HB3 ALA 40 HB3 ALA 40 7.946 2.996 14.417 329 H ALA 41 HN ALA 41 8.583 6.997 15.090 330 HA ALA 41 HA ALA 41 9.657 7.322 17.814 331 HB1 ALA 41 HB1 ALA 41 11.369 7.094 16.069 332 HB2 ALA 41 HB2 ALA 41 11.419 8.683 16.834 333 HB3 ALA 41 HB3 ALA 41 10.694 8.496 15.236 334 H CYS 42 HN CYS 42 8.116 9.018 15.104 335 HA CYS 42 HA CYS 42 7.556 11.325 16.846 336 HB2 CYS 42 HB2 CYS 42 7.135 11.207 13.865 337 HB3 CYS 42 HB1 CYS 42 7.251 12.633 14.888 338 H GLN 43 HN GLN 43 6.080 8.649 15.285 339 HA GLN 43 HA GLN 43 3.980 7.813 15.202 340 HB2 GLN 43 HB2 GLN 43 3.480 10.009 17.192 341 HB3 GLN 43 HB1 GLN 43 2.174 8.983 16.621 342 HG2 GLN 43 HG2 GLN 43 2.833 7.973 18.601 343 HG3 GLN 43 HG1 GLN 43 3.663 7.026 17.368 344 HE21 GLN 43 HE21 GLN 43 5.896 7.212 17.149 345 HE22 GLN 43 HE22 GLN 43 6.885 7.916 18.378 346 H LYS 44 HN LYS 44 4.896 10.576 13.806 347 HA LYS 44 HA LYS 44 2.505 11.760 12.843 348 HB2 LYS 44 HB2 LYS 44 5.012 12.591 12.861 349 HB3 LYS 44 HB1 LYS 44 5.047 11.854 11.267 350 HG2 LYS 44 HG2 LYS 44 3.193 13.282 10.564 351 HG3 LYS 44 HG1 LYS 44 3.151 14.017 12.168 352 HD2 LYS 44 HD2 LYS 44 5.442 14.829 11.851 353 HD3 LYS 44 HD1 LYS 44 5.480 14.095 10.247 354 HE2 LYS 44 HE2 LYS 44 5.004 16.379 9.898 355 HE3 LYS 44 HE1 LYS 44 3.473 15.531 9.687 356 HZ1 LYS 44 HZ1 LYS 44 4.326 16.978 12.139 357 HZ2 LYS 44 HZ2 LYS 44 2.858 16.161 11.941 358 HZ3 LYS 44 HZ3 LYS 44 3.195 17.530 11.007 359 H HIS 45 HN HIS 45 1.910 11.826 10.488 360 HA HIS 45 HA HIS 45 1.733 9.092 9.470 361 HB2 HIS 45 HB2 HIS 45 0.245 11.626 8.748 362 HB3 HIS 45 HB1 HIS 45 0.032 10.104 7.892 363 HD1 HIS 45 HD1 HIS 45 -1.547 8.429 8.905 364 HD2 HIS 45 HD2 HIS 45 -0.645 11.552 11.495 365 HE1 HIS 45 HE1 HIS 45 -3.101 8.150 10.862 366 HE2 HIS 45 HE2 HIS 45 -2.467 9.991 12.461 367 H PHE 46 HN PHE 46 2.156 8.557 7.297 368 HA PHE 46 HA PHE 46 4.336 10.124 6.128 369 HB2 PHE 46 HB2 PHE 46 3.447 7.270 5.752 370 HB3 PHE 46 HB1 PHE 46 4.675 8.015 4.748 371 HD1 PHE 46 HD1 PHE 46 3.934 7.691 8.412 372 HD2 PHE 46 HD2 PHE 46 6.833 7.494 5.300 373 HE1 PHE 46 HE1 PHE 46 5.636 7.056 10.054 374 HE2 PHE 46 HE2 PHE 46 8.548 6.857 6.942 375 HZ PHE 46 HZ PHE 46 7.955 6.638 9.324 376 H SER 47 HN SER 47 4.418 10.584 3.917 377 HA SER 47 HA SER 47 1.813 10.633 2.542 378 HB2 SER 47 HB2 SER 47 2.586 12.877 3.368 379 HB3 SER 47 HB1 SER 47 3.985 12.730 2.306 380 HG SER 47 HG SER 47 2.707 12.926 0.565 381 H VAL 48 HN VAL 48 1.879 10.590 0.215 382 HA VAL 48 HA VAL 48 3.662 8.663 -0.835 383 HB VAL 48 HB VAL 48 1.310 8.986 -1.596 384 HG11 VAL 48 HG11 VAL 48 0.789 10.654 -3.315 385 HG12 VAL 48 HG12 VAL 48 2.380 11.380 -3.081 386 HG13 VAL 48 HG13 VAL 48 1.202 11.396 -1.769 387 HG21 VAL 48 HG21 VAL 48 3.389 9.038 -3.777 388 HG22 VAL 48 HG22 VAL 48 1.718 8.510 -3.971 389 HG23 VAL 48 HG23 VAL 48 2.806 7.617 -2.909 390 H GLY 49 HN GLY 49 5.473 8.799 -2.062 391 HA2 GLY 49 HA2 GLY 49 6.892 9.968 -3.636 392 HA3 GLY 49 HA1 GLY 49 6.413 11.475 -2.873 393 H ASP 50 HN ASP 50 6.752 10.264 -0.155 394 HA ASP 50 HA ASP 50 9.627 10.724 0.055 395 HB2 ASP 50 HB2 ASP 50 7.419 10.593 2.113 396 HB3 ASP 50 HB1 ASP 50 9.120 10.739 2.544 397 H ARG 51 HN ARG 51 11.051 9.339 1.147 398 HA ARG 51 HA ARG 51 10.443 6.522 0.852 399 HB2 ARG 51 HB2 ARG 51 12.975 7.963 1.655 400 HB3 ARG 51 HB1 ARG 51 12.847 6.218 1.494 401 HG2 ARG 51 HG2 ARG 51 12.130 6.628 -0.898 402 HG3 ARG 51 HG1 ARG 51 12.633 8.300 -0.659 403 HD2 ARG 51 HD2 ARG 51 14.885 7.548 -0.090 404 HD3 ARG 51 HD1 ARG 51 14.386 5.870 -0.302 405 HE ARG 51 HE ARG 51 13.892 7.424 -2.640 406 HH11 ARG 51 HH11 ARG 51 16.459 5.753 -0.921 407 HH12 ARG 51 HH12 ARG 51 17.409 5.505 -2.347 408 HH21 ARG 51 HH21 ARG 51 15.153 7.086 -4.494 409 HH22 ARG 51 HH22 ARG 51 16.669 6.260 -4.367 410 H TYR 52 HN TYR 52 10.322 5.000 2.454 411 HA TYR 52 HA TYR 52 10.463 5.958 5.231 412 HB2 TYR 52 HB2 TYR 52 8.461 4.776 5.822 413 HB3 TYR 52 HB1 TYR 52 8.094 5.773 4.425 414 HD1 TYR 52 HD2 TYR 52 7.832 4.690 2.179 415 HD2 TYR 52 HD1 TYR 52 8.230 2.397 5.750 416 HE1 TYR 52 HE2 TYR 52 6.948 2.716 1.010 417 HE2 TYR 52 HE1 TYR 52 7.344 0.426 4.586 418 HH TYR 52 HH TYR 52 7.013 0.270 1.212 419 H LEU 53 HN LEU 53 10.880 4.342 6.833 420 HA LEU 53 HA LEU 53 12.300 1.989 5.779 421 HB2 LEU 53 HB2 LEU 53 13.745 3.648 6.897 422 HB3 LEU 53 HB1 LEU 53 12.773 3.514 8.347 423 HG LEU 53 HG LEU 53 13.504 0.918 7.989 424 HD11 LEU 53 HD11 LEU 53 15.882 0.871 7.456 425 HD12 LEU 53 HD12 LEU 53 15.835 2.590 7.073 426 HD13 LEU 53 HD13 LEU 53 14.930 1.444 6.086 427 HD21 LEU 53 HD21 LEU 53 15.058 3.038 9.460 428 HD22 LEU 53 HD22 LEU 53 15.094 1.305 9.786 429 HD23 LEU 53 HD23 LEU 53 13.610 2.224 10.050 430 H LEU 54 HN LEU 54 11.623 0.032 6.399 431 HA LEU 54 HA LEU 54 9.373 -0.134 8.256 432 HB2 LEU 54 HB2 LEU 54 9.482 -1.201 5.882 433 HB3 LEU 54 HB1 LEU 54 10.459 -2.433 6.652 434 HG LEU 54 HG LEU 54 7.812 -1.808 7.875 435 HD11 LEU 54 HD11 LEU 54 6.689 -3.344 6.333 436 HD12 LEU 54 HD12 LEU 54 8.154 -3.427 5.355 437 HD13 LEU 54 HD13 LEU 54 7.280 -1.902 5.505 438 HD21 LEU 54 HD21 LEU 54 9.355 -4.361 7.413 439 HD22 LEU 54 HD22 LEU 54 7.844 -4.216 8.310 440 HD23 LEU 54 HD23 LEU 54 9.305 -3.436 8.915 441 H ILE 55 HN ILE 55 9.969 -0.303 10.311 442 HA ILE 55 HA ILE 55 12.369 -1.762 11.047 443 HB ILE 55 HB ILE 55 11.422 0.528 12.053 444 HG12 ILE 55 HG12 ILE 55 12.774 -0.173 14.202 445 HG13 ILE 55 HG11 ILE 55 13.129 -1.610 13.251 446 HG21 ILE 55 HG21 ILE 55 10.478 -1.458 14.110 447 HG22 ILE 55 HG22 ILE 55 9.410 -0.536 13.050 448 HG23 ILE 55 HG23 ILE 55 10.429 0.302 14.219 449 HD11 ILE 55 HD11 ILE 55 14.841 0.207 13.133 450 HD12 ILE 55 HD12 ILE 55 13.649 1.185 12.276 451 HD13 ILE 55 HD13 ILE 55 14.215 -0.330 11.575 452 H ASN 56 HN ASN 56 12.078 -3.055 13.242 453 HA ASN 56 HA ASN 56 10.999 -5.511 12.705 454 HB2 ASN 56 HB2 ASN 56 11.325 -4.282 15.446 455 HB3 ASN 56 HB1 ASN 56 11.212 -6.001 15.094 456 HD21 ASN 56 HD21 ASN 56 13.168 -3.137 14.807 457 HD22 ASN 56 HD22 ASN 56 14.663 -3.942 14.495 458 H SER 57 HN SER 57 9.294 -2.800 14.223 459 HA SER 57 HA SER 57 6.871 -4.475 14.285 460 HB2 SER 57 HB2 SER 57 7.608 -2.224 16.167 461 HB3 SER 57 HB1 SER 57 6.079 -3.104 16.186 462 HG SER 57 HG SER 57 7.190 -4.283 17.565 463 H ASP 58 HN ASP 58 7.808 -1.003 14.139 464 HA ASP 58 HA ASP 58 5.513 -0.587 12.332 465 HB2 ASP 58 HB2 ASP 58 6.576 1.146 14.556 466 HB3 ASP 58 HB1 ASP 58 5.544 1.800 13.288 467 H ILE 59 HN ILE 59 6.034 2.051 11.603 468 HA ILE 59 HA ILE 59 8.473 1.775 9.965 469 HB ILE 59 HB ILE 59 6.032 3.490 9.408 470 HG12 ILE 59 HG12 ILE 59 6.393 1.507 7.414 471 HG13 ILE 59 HG11 ILE 59 6.465 0.692 8.973 472 HG21 ILE 59 HG21 ILE 59 7.024 3.626 7.108 473 HG22 ILE 59 HG22 ILE 59 8.509 2.963 7.797 474 HG23 ILE 59 HG23 ILE 59 7.888 4.511 8.365 475 HD11 ILE 59 HD11 ILE 59 4.209 0.686 8.154 476 HD12 ILE 59 HD12 ILE 59 4.238 2.438 7.959 477 HD13 ILE 59 HD13 ILE 59 4.310 1.730 9.572 478 H VAL 60 HN VAL 60 9.952 3.453 9.875 479 HA VAL 60 HA VAL 60 9.532 5.690 11.759 480 HB VAL 60 HB VAL 60 12.273 4.609 11.088 481 HG11 VAL 60 HG11 VAL 60 12.191 6.842 12.064 482 HG12 VAL 60 HG12 VAL 60 12.911 5.694 13.193 483 HG13 VAL 60 HG13 VAL 60 11.246 6.229 13.420 484 HG21 VAL 60 HG21 VAL 60 12.275 3.282 13.102 485 HG22 VAL 60 HG22 VAL 60 10.929 2.776 12.080 486 HG23 VAL 60 HG23 VAL 60 10.632 3.797 13.485 487 H CYS 61 HN CYS 61 9.623 7.664 10.904 488 HA CYS 61 HA CYS 61 9.993 8.128 8.149 489 HB2 CYS 61 HB2 CYS 61 9.440 10.359 8.579 490 HB3 CYS 61 HB1 CYS 61 8.595 9.464 9.833 491 H GLU 62 HN GLU 62 11.490 9.582 7.123 492 HA GLU 62 HA GLU 62 14.168 8.864 7.410 493 HB2 GLU 62 HB2 GLU 62 12.841 11.137 5.956 494 HB3 GLU 62 HB1 GLU 62 14.579 10.883 5.894 495 HG2 GLU 62 HG2 GLU 62 14.222 8.656 4.955 496 HG3 GLU 62 HG1 GLU 62 12.478 8.909 5.021 497 H GLN 63 HN GLN 63 12.419 11.228 9.179 498 HA GLN 63 HA GLN 63 14.498 13.076 9.747 499 HB2 GLN 63 HB2 GLN 63 11.880 13.169 10.142 500 HB3 GLN 63 HB1 GLN 63 12.330 12.591 11.739 501 HG2 GLN 63 HG2 GLN 63 13.797 14.525 12.027 502 HG3 GLN 63 HG1 GLN 63 13.346 15.104 10.425 503 HE21 GLN 63 HE21 GLN 63 11.286 15.939 10.091 504 HE22 GLN 63 HE22 GLN 63 10.269 16.424 11.400 505 H ASP 64 HN ASP 64 13.256 10.330 11.690 506 HA ASP 64 HA ASP 64 15.721 10.457 13.301 507 HB2 ASP 64 HB2 ASP 64 13.883 8.769 14.628 508 HB3 ASP 64 HB1 ASP 64 14.413 10.370 15.119 509 H ILE 65 HN ILE 65 14.985 8.953 10.688 510 HA ILE 65 HA ILE 65 14.941 6.202 11.090 511 HB ILE 65 HB ILE 65 14.508 7.169 8.918 512 HG12 ILE 65 HG12 ILE 65 16.392 4.967 9.319 513 HG13 ILE 65 HG11 ILE 65 14.950 5.037 8.322 514 HG21 ILE 65 HG21 ILE 65 17.415 7.961 8.847 515 HG22 ILE 65 HG22 ILE 65 16.011 9.027 8.851 516 HG23 ILE 65 HG23 ILE 65 16.335 8.005 7.453 517 HD11 ILE 65 HD11 ILE 65 16.188 5.942 6.488 518 HD12 ILE 65 HD12 ILE 65 17.047 4.523 7.093 519 HD13 ILE 65 HD13 ILE 65 17.623 6.140 7.496 520 H TYR 66 HN TYR 66 17.808 8.290 10.727 521 HA TYR 66 HA TYR 66 19.751 6.254 10.911 522 HB2 TYR 66 HB2 TYR 66 20.196 8.482 9.960 523 HB3 TYR 66 HB1 TYR 66 19.991 9.208 11.548 524 HD1 TYR 66 HD1 TYR 66 21.704 8.937 13.268 525 HD2 TYR 66 HD2 TYR 66 22.234 7.306 9.376 526 HE1 TYR 66 HE1 TYR 66 24.090 8.648 13.729 527 HE2 TYR 66 HE2 TYR 66 24.636 7.011 9.824 528 HH TYR 66 HH TYR 66 26.364 7.951 11.304 529 H GLU 67 HN GLU 67 18.559 8.527 13.396 530 HA GLU 67 HA GLU 67 20.129 7.538 15.516 531 HB2 GLU 67 HB2 GLU 67 17.610 9.180 15.435 532 HB3 GLU 67 HB1 GLU 67 18.354 8.711 16.956 533 HG2 GLU 67 HG2 GLU 67 19.948 10.114 14.847 534 HG3 GLU 67 HG1 GLU 67 18.905 11.018 15.944 535 H TRP 68 HN TRP 68 16.787 6.759 14.545 536 HA TRP 68 HA TRP 68 16.151 5.093 16.734 537 HB2 TRP 68 HB2 TRP 68 14.459 6.055 15.217 538 HB3 TRP 68 HB1 TRP 68 15.038 5.022 13.917 539 HD1 TRP 68 HD1 TRP 68 14.440 2.411 14.057 540 HE1 TRP 68 HE1 TRP 68 12.587 1.146 15.322 541 HE3 TRP 68 HE3 TRP 68 13.078 6.051 17.397 542 HZ2 TRP 68 HZ2 TRP 68 10.797 1.618 17.446 543 HZ3 TRP 68 HZ3 TRP 68 11.290 5.554 19.011 544 HH2 TRP 68 HH2 TRP 68 10.176 3.383 19.033 545 H THR 69 HN THR 69 17.554 4.348 13.569 546 HA THR 69 HA THR 69 17.561 1.524 13.841 547 HB THR 69 HB THR 69 19.306 1.600 12.007 548 HG1 THR 69 HG1 THR 69 19.530 4.092 12.771 549 HG21 THR 69 HG21 THR 69 16.726 3.093 11.533 550 HG22 THR 69 HG22 THR 69 16.933 1.342 11.505 551 HG23 THR 69 HG23 THR 69 17.722 2.344 10.287 552 H LYS 70 HN LYS 70 19.691 4.040 14.859 553 HA LYS 70 HA LYS 70 22.085 2.656 15.290 554 HB2 LYS 70 HB2 LYS 70 21.309 5.219 15.532 555 HB3 LYS 70 HB1 LYS 70 21.310 4.766 17.230 556 HG2 LYS 70 HG2 LYS 70 23.626 4.116 17.095 557 HG3 LYS 70 HG1 LYS 70 23.642 4.447 15.363 558 HD2 LYS 70 HD2 LYS 70 22.903 6.828 16.039 559 HD3 LYS 70 HD1 LYS 70 23.460 6.377 17.652 560 HE2 LYS 70 HE2 LYS 70 25.663 5.788 16.648 561 HE3 LYS 70 HE1 LYS 70 25.079 6.423 15.110 562 HZ1 LYS 70 HZ1 LYS 70 26.389 8.061 16.306 563 HZ2 LYS 70 HZ2 LYS 70 25.341 7.974 17.629 564 HZ3 LYS 70 HZ3 LYS 70 24.787 8.581 16.151 565 H ILE 71 HN ILE 71 19.323 3.177 17.468 566 HA ILE 71 HA ILE 71 20.521 1.568 19.576 567 HB ILE 71 HB ILE 71 17.741 2.767 19.530 568 HG12 ILE 71 HG12 ILE 71 19.277 4.200 21.328 569 HG13 ILE 71 HG11 ILE 71 20.367 3.947 19.972 570 HG21 ILE 71 HG21 ILE 71 17.965 0.963 21.161 571 HG22 ILE 71 HG22 ILE 71 17.829 2.523 21.972 572 HG23 ILE 71 HG23 ILE 71 19.402 1.735 21.834 573 HD11 ILE 71 HD11 ILE 71 18.720 4.910 18.471 574 HD12 ILE 71 HD12 ILE 71 19.178 6.035 19.751 575 HD13 ILE 71 HD13 ILE 71 17.636 5.182 19.834 576 H ASN 72 HN ASN 72 17.707 1.367 17.438 577 HA ASN 72 HA ASN 72 16.942 -1.260 18.327 578 HB2 ASN 72 HB2 ASN 72 15.966 0.568 16.146 579 HB3 ASN 72 HB1 ASN 72 15.352 -1.075 16.311 580 HD21 ASN 72 HD21 ASN 72 15.354 2.122 17.596 581 HD22 ASN 72 HD22 ASN 72 14.143 1.870 18.801 582 H GLY 73 HN GLY 73 19.545 -0.462 16.592 583 HA2 GLY 73 HA2 GLY 73 19.589 -3.044 15.211 584 HA3 GLY 73 HA1 GLY 73 19.867 -1.604 14.242 585 H GLY 74 HN GLY 74 21.950 -2.296 13.692 586 HA2 GLY 74 HA2 GLY 74 24.111 -1.243 14.860 587 HA3 GLY 74 HA1 GLY 74 23.916 -2.718 15.795 588 H SER 75 HN SER 75 25.642 -3.876 15.150 589 HA SER 75 HA SER 75 26.132 -4.231 12.281 590 HB2 SER 75 HB2 SER 75 28.293 -5.265 13.044 591 HB3 SER 75 HB1 SER 75 28.099 -3.575 13.506 592 HG SER 75 HG SER 75 28.863 -4.986 15.208 593 H GLY 76 HN GLY 76 26.322 -6.280 11.343 594 HA2 GLY 76 HA2 GLY 76 24.788 -8.367 12.732 595 HA3 GLY 76 HA1 GLY 76 25.040 -8.260 10.996 596 H GLY 77 HN GLY 77 26.571 -9.484 10.103 597 HA2 GLY 77 HA2 GLY 77 28.792 -10.465 11.752 598 HA3 GLY 77 HA1 GLY 77 27.751 -11.646 10.972 599 H SER 78 HN SER 78 29.295 -12.514 9.643 600 HA SER 78 HA SER 78 30.658 -10.735 7.749 601 HB2 SER 78 HB2 SER 78 31.138 -13.658 8.385 602 HB3 SER 78 HB1 SER 78 32.083 -12.692 7.251 603 HG SER 78 HG SER 78 33.046 -12.821 9.337 604 H GLY 79 HN GLY 79 30.393 -10.878 5.568 605 HA2 GLY 79 HA2 GLY 79 29.589 -12.646 3.818 606 HA3 GLY 79 HA1 GLY 79 28.061 -12.406 4.651 607 H GLY 80 HN GLY 80 27.627 -9.898 4.970 608 HA2 GLY 80 HA2 GLY 80 28.373 -7.832 3.478 609 HA3 GLY 80 HA1 GLY 80 27.556 -8.806 2.265 610 H SER 81 HN SER 81 27.182 -6.347 4.437 611 HA SER 81 HA SER 81 24.327 -6.841 4.895 612 HB2 SER 81 HB2 SER 81 26.165 -4.743 6.077 613 HB3 SER 81 HB1 SER 81 24.466 -4.961 6.495 614 HG SER 81 HG SER 81 26.664 -6.366 7.316 615 H GLY 82 HN GLY 82 22.778 -5.724 3.887 616 HA2 GLY 82 HA2 GLY 82 23.285 -3.136 2.689 617 HA3 GLY 82 HA1 GLY 82 23.010 -4.429 1.531 618 H GLY 83 HN GLY 83 21.573 -2.069 3.423 619 HA2 GLY 83 HA2 GLY 83 18.936 -3.383 3.371 620 HA3 GLY 83 HA1 GLY 83 19.367 -2.008 4.377 621 H ASP 84 HN ASP 84 17.457 -2.805 1.947 622 HA ASP 84 HA ASP 84 17.893 -0.390 0.338 623 HB2 ASP 84 HB2 ASP 84 16.242 -2.873 -0.146 624 HB3 ASP 84 HB1 ASP 84 16.147 -1.446 -1.173 625 H VAL 85 HN VAL 85 16.377 1.202 0.133 626 HA VAL 85 HA VAL 85 14.189 1.167 2.100 627 HB VAL 85 HB VAL 85 15.156 3.646 0.667 628 HG11 VAL 85 HG11 VAL 85 14.275 4.784 2.672 629 HG12 VAL 85 HG12 VAL 85 13.746 3.225 3.303 630 HG13 VAL 85 HG13 VAL 85 13.037 3.863 1.819 631 HG21 VAL 85 HG21 VAL 85 17.126 2.689 1.739 632 HG22 VAL 85 HG22 VAL 85 16.249 2.560 3.264 633 HG23 VAL 85 HG23 VAL 85 16.604 4.147 2.584 634 H MET 86 HN MET 86 12.092 1.632 1.513 635 HA MET 86 HA MET 86 11.530 1.725 -1.381 636 HB2 MET 86 HB2 MET 86 10.103 0.237 0.818 637 HB3 MET 86 HB1 MET 86 9.350 0.556 -0.738 638 HG2 MET 86 HG2 MET 86 11.914 -0.968 -0.335 639 HG3 MET 86 HG1 MET 86 10.327 -1.690 -0.588 640 HE1 MET 86 HE1 MET 86 12.167 -2.413 -3.974 641 HE2 MET 86 HE2 MET 86 11.294 -3.117 -2.612 642 HE3 MET 86 HE3 MET 86 12.884 -2.397 -2.362 643 H VAL 87 HN VAL 87 9.778 2.961 -2.085 644 HA VAL 87 HA VAL 87 9.062 5.173 -0.330 645 HB VAL 87 HB VAL 87 8.041 5.142 -3.115 646 HG11 VAL 87 HG11 VAL 87 8.750 7.485 -3.031 647 HG12 VAL 87 HG12 VAL 87 9.456 7.203 -1.440 648 HG13 VAL 87 HG13 VAL 87 7.715 7.056 -1.670 649 HG21 VAL 87 HG21 VAL 87 10.993 5.466 -2.562 650 HG22 VAL 87 HG22 VAL 87 10.189 5.846 -4.084 651 HG23 VAL 87 HG23 VAL 87 10.244 4.180 -3.509 652 H VAL 88 HN VAL 88 6.891 5.873 -0.037 653 HA VAL 88 HA VAL 88 5.005 3.811 0.426 654 HB VAL 88 HB VAL 88 4.291 6.745 0.248 655 HG11 VAL 88 HG11 VAL 88 2.431 5.156 0.540 656 HG12 VAL 88 HG12 VAL 88 2.629 6.219 1.933 657 HG13 VAL 88 HG13 VAL 88 3.198 4.552 2.009 658 HG21 VAL 88 HG21 VAL 88 4.893 6.978 2.606 659 HG22 VAL 88 HG22 VAL 88 6.300 6.564 1.627 660 HG23 VAL 88 HG23 VAL 88 5.518 5.330 2.615 661 H GLY 89 HN GLY 89 4.023 2.705 -1.114 662 HA2 GLY 89 HA2 GLY 89 3.679 3.540 -3.797 663 HA3 GLY 89 HA1 GLY 89 2.950 2.127 -3.058 664 H GLU 90 HN GLU 90 1.800 3.910 -5.008 665 HA GLU 90 HA GLU 90 -0.069 5.698 -3.869 666 HB2 GLU 90 HB2 GLU 90 0.062 4.310 -6.537 667 HB3 GLU 90 HB1 GLU 90 -1.250 5.401 -6.119 668 HG2 GLU 90 HG2 GLU 90 0.364 7.207 -5.777 669 HG3 GLU 90 HG1 GLU 90 1.676 6.109 -6.205 670 HA PRO 91 HA PRO 91 -2.799 2.472 -2.125 671 HB2 PRO 91 HB2 PRO 91 -4.523 4.791 -1.496 672 HB3 PRO 91 HB1 PRO 91 -3.884 3.544 -0.423 673 HG2 PRO 91 HG2 PRO 91 -2.919 6.032 -0.367 674 HG3 PRO 91 HG1 PRO 91 -1.858 4.628 -0.148 675 HD2 PRO 91 HD2 PRO 91 -2.261 6.343 -2.572 676 HD3 PRO 91 HD1 PRO 91 -0.762 5.665 -1.901 677 H THR 92 HN THR 92 -4.908 1.657 -2.546 678 HA THR 92 HA THR 92 -6.059 2.632 -5.075 679 HB THR 92 HB THR 92 -7.132 0.323 -5.167 680 HG1 THR 92 HG1 THR 92 -6.701 -1.038 -3.609 681 HG21 THR 92 HG21 THR 92 -4.117 0.486 -5.263 682 HG22 THR 92 HG22 THR 92 -5.220 0.925 -6.567 683 HG23 THR 92 HG23 THR 92 -5.106 -0.753 -6.037 684 H LEU 93 HN LEU 93 -7.837 3.779 -4.868 685 HA LEU 93 HA LEU 93 -9.414 3.941 -2.526 686 HB2 LEU 93 HB2 LEU 93 -9.928 4.877 -5.346 687 HB3 LEU 93 HB1 LEU 93 -10.995 5.234 -4.004 688 HG LEU 93 HG LEU 93 -8.765 6.205 -2.941 689 HD11 LEU 93 HD11 LEU 93 -7.316 5.536 -4.783 690 HD12 LEU 93 HD12 LEU 93 -7.376 7.292 -4.631 691 HD13 LEU 93 HD13 LEU 93 -8.290 6.485 -5.906 692 HD21 LEU 93 HD21 LEU 93 -9.405 8.406 -3.810 693 HD22 LEU 93 HD22 LEU 93 -10.810 7.462 -3.310 694 HD23 LEU 93 HD23 LEU 93 -10.420 7.625 -5.023 695 H MET 94 HN MET 94 -11.570 3.327 -2.143 696 HA MET 94 HA MET 94 -12.259 0.700 -2.930 697 HB2 MET 94 HB2 MET 94 -12.906 2.194 -0.821 698 HB3 MET 94 HB1 MET 94 -14.338 2.505 -1.789 699 HG2 MET 94 HG2 MET 94 -13.337 -0.220 -0.985 700 HG3 MET 94 HG1 MET 94 -14.645 0.660 -0.202 701 HE1 MET 94 HE1 MET 94 -16.568 1.803 -2.150 702 HE2 MET 94 HE2 MET 94 -17.073 0.620 -0.944 703 HE3 MET 94 HE3 MET 94 -17.582 0.439 -2.623 704 H GLY 95 HN GLY 95 -13.576 3.871 -3.871 705 HA2 GLY 95 HA2 GLY 95 -14.372 4.355 -6.057 706 HA3 GLY 95 HA1 GLY 95 -14.686 2.642 -6.294 707 H GLY 96 HN GLY 96 -15.953 5.661 -5.284 708 HA2 GLY 96 HA2 GLY 96 -18.583 5.231 -5.645 709 HA3 GLY 96 HA1 GLY 96 -18.333 4.563 -4.041 710 H GLU 97 HN GLU 97 -17.491 5.985 -2.379 711 HA GLU 97 HA GLU 97 -18.474 8.727 -2.729 712 HB2 GLU 97 HB2 GLU 97 -17.991 7.030 -0.285 713 HB3 GLU 97 HB1 GLU 97 -18.289 8.758 -0.179 714 HG2 GLU 97 HG2 GLU 97 -20.458 8.454 -1.259 715 HG3 GLU 97 HG1 GLU 97 -20.158 6.721 -1.374 716 H PHE 98 HN PHE 98 -17.263 10.521 -2.120 717 HA PHE 98 HA PHE 98 -14.361 10.097 -2.147 718 HB2 PHE 98 HB2 PHE 98 -16.050 12.523 -2.773 719 HB3 PHE 98 HB1 PHE 98 -14.295 12.576 -2.667 720 HD1 PHE 98 HD2 PHE 98 -12.914 11.544 -4.366 721 HD2 PHE 98 HD1 PHE 98 -17.160 11.426 -4.618 722 HE1 PHE 98 HE2 PHE 98 -12.751 10.865 -6.726 723 HE2 PHE 98 HE1 PHE 98 -17.005 10.746 -6.978 724 HZ PHE 98 HZ PHE 98 -14.798 10.466 -8.034 725 H GLY 99 HN GLY 99 -16.890 11.842 -0.365 726 HA2 GLY 99 HA2 GLY 99 -14.946 12.527 1.732 727 HA3 GLY 99 HA1 GLY 99 -16.537 13.246 1.534 728 H ASP 100 HN ASP 100 -16.339 12.723 3.957 729 HA ASP 100 HA ASP 100 -17.697 10.166 4.416 730 HB2 ASP 100 HB2 ASP 100 -15.341 11.226 5.989 731 HB3 ASP 100 HB1 ASP 100 -16.415 9.975 6.603 732 H GLU 101 HN GLU 101 -19.624 11.315 4.491 733 HA GLU 101 HA GLU 101 -19.996 13.379 6.501 734 HB2 GLU 101 HB2 GLU 101 -22.347 13.464 5.602 735 HB3 GLU 101 HB1 GLU 101 -21.086 13.852 4.446 736 HG2 GLU 101 HG2 GLU 101 -21.288 11.609 3.476 737 HG3 GLU 101 HG1 GLU 101 -22.555 11.224 4.640 738 H ASP 102 HN ASP 102 -20.764 10.003 6.046 739 HA ASP 102 HA ASP 102 -22.599 9.879 8.283 740 HB2 ASP 102 HB2 ASP 102 -21.476 7.812 6.404 741 HB3 ASP 102 HB1 ASP 102 -22.470 7.375 7.789 742 H GLU 103 HN GLU 103 -19.217 9.647 7.864 743 HA GLU 103 HA GLU 103 -18.730 7.943 10.156 744 HB2 GLU 103 HB2 GLU 103 -17.318 8.282 7.932 745 HB3 GLU 103 HB1 GLU 103 -16.561 9.551 8.881 746 HG2 GLU 103 HG2 GLU 103 -15.188 7.717 9.235 747 HG3 GLU 103 HG1 GLU 103 -16.216 7.734 10.666 748 H ARG 104 HN ARG 104 -19.619 11.112 9.854 749 HA ARG 104 HA ARG 104 -17.936 12.205 11.960 750 HB2 ARG 104 HB2 ARG 104 -20.124 13.367 10.248 751 HB3 ARG 104 HB1 ARG 104 -19.439 14.248 11.605 752 HG2 ARG 104 HG2 ARG 104 -17.217 14.093 10.564 753 HG3 ARG 104 HG1 ARG 104 -17.940 13.257 9.187 754 HD2 ARG 104 HD2 ARG 104 -19.333 15.209 8.726 755 HD3 ARG 104 HD1 ARG 104 -18.635 16.042 10.115 756 HE ARG 104 HE ARG 104 -16.626 15.193 8.286 757 HH11 ARG 104 HH11 ARG 104 -19.027 17.709 8.775 758 HH12 ARG 104 HH12 ARG 104 -18.173 18.870 7.816 759 HH21 ARG 104 HH21 ARG 104 -15.525 16.729 7.035 760 HH22 ARG 104 HH22 ARG 104 -16.192 18.315 6.831 761 H LEU 105 HN LEU 105 -20.891 10.538 11.734 762 HA LEU 105 HA LEU 105 -21.969 11.619 14.226 763 HB2 LEU 105 HB2 LEU 105 -23.306 11.009 12.065 764 HB3 LEU 105 HB1 LEU 105 -23.200 9.370 12.670 765 HG LEU 105 HG LEU 105 -24.250 11.455 14.523 766 HD11 LEU 105 HD11 LEU 105 -25.402 11.981 12.452 767 HD12 LEU 105 HD12 LEU 105 -26.504 11.207 13.592 768 HD13 LEU 105 HD13 LEU 105 -25.838 10.285 12.244 769 HD21 LEU 105 HD21 LEU 105 -25.673 9.597 15.240 770 HD22 LEU 105 HD22 LEU 105 -23.967 9.150 15.279 771 HD23 LEU 105 HD23 LEU 105 -24.996 8.584 13.964 772 H ILE 106 HN ILE 106 -20.463 8.743 12.930 773 HA ILE 106 HA ILE 106 -19.875 6.720 13.745 774 HB ILE 106 HB ILE 106 -18.519 6.765 15.859 775 HG12 ILE 106 HG12 ILE 106 -17.912 9.428 16.209 776 HG13 ILE 106 HG11 ILE 106 -19.664 9.468 16.046 777 HG21 ILE 106 HG21 ILE 106 -16.702 8.060 14.842 778 HG22 ILE 106 HG22 ILE 106 -17.852 8.744 13.694 779 HG23 ILE 106 HG23 ILE 106 -17.520 7.012 13.684 780 HD11 ILE 106 HD11 ILE 106 -19.869 7.853 17.861 781 HD12 ILE 106 HD12 ILE 106 -18.995 9.297 18.371 782 HD13 ILE 106 HD13 ILE 106 -18.114 7.810 18.021 783 H THR 107 HN THR 107 -21.265 5.202 14.140 784 HA THR 107 HA THR 107 -22.878 5.299 16.604 785 HB THR 107 HB THR 107 -24.285 3.528 15.420 786 HG1 THR 107 HG1 THR 107 -24.020 3.945 12.991 787 HG21 THR 107 HG21 THR 107 -25.532 5.191 14.113 788 HG22 THR 107 HG22 THR 107 -24.165 6.299 14.223 789 HG23 THR 107 HG23 THR 107 -25.043 5.835 15.681 790 H ARG 108 HN ARG 108 -23.176 3.358 17.813 791 HA ARG 108 HA ARG 108 -20.841 1.592 17.697 792 HB2 ARG 108 HB2 ARG 108 -22.813 2.222 19.889 793 HB3 ARG 108 HB1 ARG 108 -21.673 0.890 20.011 794 HG2 ARG 108 HG2 ARG 108 -19.811 2.455 19.793 795 HG3 ARG 108 HG1 ARG 108 -20.952 3.794 19.657 796 HD2 ARG 108 HD2 ARG 108 -21.807 3.284 21.896 797 HD3 ARG 108 HD1 ARG 108 -20.657 1.954 22.029 798 HE ARG 108 HE ARG 108 -19.218 4.274 21.458 799 HH11 ARG 108 HH11 ARG 108 -21.153 3.001 24.098 800 HH12 ARG 108 HH12 ARG 108 -20.294 3.893 25.310 801 HH21 ARG 108 HH21 ARG 108 -18.109 5.432 23.060 802 HH22 ARG 108 HH22 ARG 108 -18.573 5.268 24.720 803 H LEU 109 HN LEU 109 -24.388 1.402 18.036 804 HA LEU 109 HA LEU 109 -25.933 -0.179 17.533 805 HB2 LEU 109 HB2 LEU 109 -23.766 -1.287 15.745 806 HB3 LEU 109 HB1 LEU 109 -25.426 -1.847 15.752 807 HG LEU 109 HG LEU 109 -25.880 0.752 15.295 808 HD11 LEU 109 HD11 LEU 109 -23.202 0.244 14.007 809 HD12 LEU 109 HD12 LEU 109 -23.492 1.331 15.364 810 HD13 LEU 109 HD13 LEU 109 -24.217 1.670 13.793 811 HD21 LEU 109 HD21 LEU 109 -26.684 -1.084 13.927 812 HD22 LEU 109 HD22 LEU 109 -25.081 -1.284 13.219 813 HD23 LEU 109 HD23 LEU 109 -26.004 0.186 12.910 814 H GLU 110 HN GLU 110 -26.689 -2.221 18.130 815 HA GLU 110 HA GLU 110 -24.921 -3.644 19.989 816 HB2 GLU 110 HB2 GLU 110 -27.925 -3.502 19.742 817 HB3 GLU 110 HB1 GLU 110 -27.125 -4.694 20.757 818 HG2 GLU 110 HG2 GLU 110 -26.083 -2.897 22.047 819 HG3 GLU 110 HG1 GLU 110 -26.891 -1.704 21.030 820 H ASN 111 HN ASN 111 -23.936 -5.366 19.220 821 HA ASN 111 HA ASN 111 -25.426 -7.276 17.561 822 HB2 ASN 111 HB2 ASN 111 -23.788 -5.675 16.266 823 HB3 ASN 111 HB1 ASN 111 -22.544 -6.731 16.924 824 HD21 ASN 111 HD21 ASN 111 -25.256 -6.487 14.769 825 HD22 ASN 111 HD22 ASN 111 -24.970 -7.962 13.915 826 H THR 112 HN THR 112 -24.712 -9.435 17.710 827 HA THR 112 HA THR 112 -23.195 -10.017 20.156 828 HB THR 112 HB THR 112 -24.146 -12.359 19.838 829 HG1 THR 112 HG1 THR 112 -26.017 -12.446 18.489 830 HG21 THR 112 HG21 THR 112 -26.088 -10.087 20.279 831 HG22 THR 112 HG22 THR 112 -25.041 -10.811 21.502 832 HG23 THR 112 HG23 THR 112 -26.336 -11.762 20.774 833 H GLN 113 HN GLN 113 -21.365 -11.216 20.156 834 HA GLN 113 HA GLN 113 -20.404 -12.288 17.587 835 HB2 GLN 113 HB2 GLN 113 -18.891 -10.604 19.581 836 HB3 GLN 113 HB1 GLN 113 -18.078 -11.598 18.382 837 HG2 GLN 113 HG2 GLN 113 -20.123 -9.562 17.576 838 HG3 GLN 113 HG1 GLN 113 -18.447 -9.109 17.874 839 HE21 GLN 113 HE21 GLN 113 -20.626 -10.860 15.811 840 HE22 GLN 113 HE22 GLN 113 -19.522 -11.102 14.506 841 H PHE 114 HN PHE 114 -19.596 -14.287 17.641 842 HA PHE 114 HA PHE 114 -18.936 -15.494 20.243 843 HB2 PHE 114 HB2 PHE 114 -20.650 -16.667 18.050 844 HB3 PHE 114 HB1 PHE 114 -19.930 -17.645 19.324 845 HD1 PHE 114 HD1 PHE 114 -20.720 -17.486 21.612 846 HD2 PHE 114 HD2 PHE 114 -22.483 -15.170 18.507 847 HE1 PHE 114 HE1 PHE 114 -22.642 -17.001 23.070 848 HE2 PHE 114 HE2 PHE 114 -24.407 -14.680 19.960 849 HZ PHE 114 HZ PHE 114 -24.488 -15.595 22.244 850 H ASP 115 HN ASP 115 -17.334 -17.078 20.232 851 HA ASP 115 HA ASP 115 -15.590 -17.023 17.873 852 HB2 ASP 115 HB2 ASP 115 -15.058 -17.693 20.770 853 HB3 ASP 115 HB1 ASP 115 -13.877 -17.968 19.494 854 H ALA 116 HN ALA 116 -15.094 -18.799 16.731 855 HA ALA 116 HA ALA 116 -16.369 -21.330 17.526 856 HB1 ALA 116 HB1 ALA 116 -15.498 -20.421 14.785 857 HB2 ALA 116 HB2 ALA 116 -17.149 -20.391 15.405 858 HB3 ALA 116 HB3 ALA 116 -16.324 -21.932 15.165 859 H ALA 117 HN ALA 117 -15.245 -23.276 17.378 860 HA ALA 117 HA ALA 117 -12.332 -23.013 17.570 861 HB1 ALA 117 HB1 ALA 117 -14.106 -25.314 18.380 862 HB2 ALA 117 HB2 ALA 117 -13.493 -24.058 19.456 863 HB3 ALA 117 HB3 ALA 117 -12.372 -25.177 18.680 864 H ASN 118 HN ASN 118 -14.826 -24.906 15.896 865 HA ASN 118 HA ASN 118 -12.777 -25.797 13.971 866 HB2 ASN 118 HB2 ASN 118 -15.246 -27.230 14.957 867 HB3 ASN 118 HB1 ASN 118 -14.355 -27.736 13.526 868 HD21 ASN 118 HD21 ASN 118 -14.315 -27.470 16.986 869 HD22 ASN 118 HD22 ASN 118 -12.949 -28.494 17.254 870 H GLY 119 HN GLY 119 -13.141 -25.493 11.836 871 HA2 GLY 119 HA2 GLY 119 -15.177 -25.336 10.212 872 HA3 GLY 119 HA1 GLY 119 -15.476 -23.862 11.120 873 H ILE 120 HN ILE 120 -13.312 -25.484 8.896 874 HA ILE 120 HA ILE 120 -12.016 -22.908 8.300 875 HB ILE 120 HB ILE 120 -10.258 -24.363 7.120 876 HG12 ILE 120 HG12 ILE 120 -10.077 -26.613 8.559 877 HG13 ILE 120 HG11 ILE 120 -11.830 -26.464 8.550 878 HG21 ILE 120 HG21 ILE 120 -9.815 -23.121 9.140 879 HG22 ILE 120 HG22 ILE 120 -9.017 -24.691 9.209 880 HG23 ILE 120 HG23 ILE 120 -10.502 -24.417 10.120 881 HD11 ILE 120 HD11 ILE 120 -11.811 -26.438 6.108 882 HD12 ILE 120 HD12 ILE 120 -11.056 -27.896 6.752 883 HD13 ILE 120 HD13 ILE 120 -10.054 -26.588 6.122 884 H ASP 121 HN ASP 121 -11.930 -22.124 6.245 885 HA ASP 121 HA ASP 121 -13.610 -23.503 4.254 886 HB2 ASP 121 HB2 ASP 121 -13.076 -20.564 4.698 887 HB3 ASP 121 HB1 ASP 121 -13.850 -21.186 3.244 888 H ASP 122 HN ASP 122 -12.821 -23.963 2.284 889 HA ASP 122 HA ASP 122 -10.142 -22.964 1.575 890 HB2 ASP 122 HB2 ASP 122 -11.179 -25.795 1.381 891 HB3 ASP 122 HB1 ASP 122 -9.753 -25.238 0.512 892 H GLU 123 HN GLU 123 -9.941 -22.174 -0.420 893 HA GLU 123 HA GLU 123 -12.248 -22.369 -2.214 894 HB2 GLU 123 HB2 GLU 123 -11.174 -20.420 -3.408 895 HB3 GLU 123 HB1 GLU 123 -11.720 -20.095 -1.774 896 HG2 GLU 123 HG2 GLU 123 -9.414 -20.279 -0.967 897 HG3 GLU 123 HG1 GLU 123 -8.868 -20.612 -2.610 Start of MODEL 9 1 H TYR 1 HT1 TYR 1 -24.406 -13.884 -6.958 2 HA TYR 1 HA TYR 1 -26.745 -13.376 -7.019 3 HB2 TYR 1 HB2 TYR 1 -26.957 -15.890 -5.351 4 HB3 TYR 1 HB1 TYR 1 -28.251 -14.704 -5.483 5 HD1 TYR 1 HD2 TYR 1 -26.386 -17.330 -7.229 6 HD2 TYR 1 HD1 TYR 1 -29.530 -14.479 -7.536 7 HE1 TYR 1 HE2 TYR 1 -27.196 -18.450 -9.262 8 HE2 TYR 1 HE1 TYR 1 -30.349 -15.592 -9.569 9 HH TYR 1 HH TYR 1 -29.288 -18.665 -10.538 10 H LEU 2 HN LEU 2 -27.512 -11.898 -5.556 11 HA LEU 2 HA LEU 2 -27.510 -10.415 -3.844 12 HB2 LEU 2 HB2 LEU 2 -26.502 -12.775 -2.250 13 HB3 LEU 2 HB1 LEU 2 -26.966 -11.241 -1.544 14 HG LEU 2 HG LEU 2 -28.956 -12.700 -3.230 15 HD11 LEU 2 HD11 LEU 2 -28.314 -13.370 -0.362 16 HD12 LEU 2 HD12 LEU 2 -28.091 -14.426 -1.757 17 HD13 LEU 2 HD13 LEU 2 -29.715 -13.948 -1.263 18 HD21 LEU 2 HD21 LEU 2 -29.173 -10.988 -0.753 19 HD22 LEU 2 HD22 LEU 2 -30.525 -11.668 -1.658 20 HD23 LEU 2 HD23 LEU 2 -29.480 -10.461 -2.408 21 H ARG 3 HN ARG 3 -26.241 -8.735 -3.589 22 HA ARG 3 HA ARG 3 -23.478 -8.760 -4.192 23 HB2 ARG 3 HB2 ARG 3 -25.284 -6.666 -2.999 24 HB3 ARG 3 HB1 ARG 3 -23.577 -6.372 -3.291 25 HG2 ARG 3 HG2 ARG 3 -23.893 -6.787 -5.668 26 HG3 ARG 3 HG1 ARG 3 -25.599 -7.135 -5.391 27 HD2 ARG 3 HD2 ARG 3 -24.331 -4.510 -4.646 28 HD3 ARG 3 HD1 ARG 3 -25.032 -4.808 -6.235 29 HE ARG 3 HE ARG 3 -26.937 -5.484 -4.303 30 HH11 ARG 3 HH11 ARG 3 -25.341 -2.592 -5.499 31 HH12 ARG 3 HH12 ARG 3 -26.669 -1.555 -5.095 32 HH21 ARG 3 HH21 ARG 3 -28.661 -4.106 -3.785 33 HH22 ARG 3 HH22 ARG 3 -28.546 -2.412 -4.126 34 H LEU 4 HN LEU 4 -21.688 -8.865 -2.969 35 HA LEU 4 HA LEU 4 -21.970 -8.840 -0.038 36 HB2 LEU 4 HB2 LEU 4 -21.651 -11.149 -1.308 37 HB3 LEU 4 HB1 LEU 4 -19.971 -10.651 -1.320 38 HG LEU 4 HG LEU 4 -21.468 -10.658 1.273 39 HD11 LEU 4 HD11 LEU 4 -20.274 -13.081 -0.062 40 HD12 LEU 4 HD12 LEU 4 -21.976 -12.824 0.321 41 HD13 LEU 4 HD13 LEU 4 -20.796 -12.997 1.620 42 HD21 LEU 4 HD21 LEU 4 -18.598 -11.241 0.540 43 HD22 LEU 4 HD22 LEU 4 -19.260 -11.173 2.173 44 HD23 LEU 4 HD23 LEU 4 -19.206 -9.715 1.182 45 H PHE 5 HN PHE 5 -20.261 -7.977 1.118 46 HA PHE 5 HA PHE 5 -18.022 -6.843 -0.415 47 HB2 PHE 5 HB2 PHE 5 -19.787 -5.395 1.564 48 HB3 PHE 5 HB1 PHE 5 -18.202 -4.798 1.084 49 HD1 PHE 5 HD2 PHE 5 -21.646 -5.404 -0.002 50 HD2 PHE 5 HD1 PHE 5 -17.830 -3.878 -1.110 51 HE1 PHE 5 HE2 PHE 5 -22.656 -4.307 -1.959 52 HE2 PHE 5 HE1 PHE 5 -18.835 -2.777 -3.068 53 HZ PHE 5 HZ PHE 5 -21.251 -2.992 -3.494 54 H GLY 6 HN GLY 6 -16.092 -6.516 0.738 55 HA2 GLY 6 HA2 GLY 6 -15.360 -6.635 3.283 56 HA3 GLY 6 HA1 GLY 6 -15.773 -8.322 3.009 57 H GLN 7 HN GLN 7 -13.182 -6.933 3.606 58 HA GLN 7 HA GLN 7 -11.643 -7.586 1.199 59 HB2 GLN 7 HB2 GLN 7 -11.143 -5.866 3.580 60 HB3 GLN 7 HB1 GLN 7 -9.752 -6.586 2.772 61 HG2 GLN 7 HG2 GLN 7 -10.559 -5.592 0.642 62 HG3 GLN 7 HG1 GLN 7 -11.829 -4.777 1.552 63 HE21 GLN 7 HE21 GLN 7 -11.296 -3.071 2.904 64 HE22 GLN 7 HE22 GLN 7 -9.764 -2.276 2.832 65 H ASP 8 HN ASP 8 -9.838 -8.909 1.251 66 HA ASP 8 HA ASP 8 -9.891 -10.974 3.344 67 HB2 ASP 8 HB2 ASP 8 -8.926 -11.020 0.485 68 HB3 ASP 8 HB1 ASP 8 -8.650 -12.341 1.617 69 H GLY 9 HN GLY 9 -8.099 -8.331 2.288 70 HA2 GLY 9 HA2 GLY 9 -5.498 -9.389 3.079 71 HA3 GLY 9 HA1 GLY 9 -5.809 -7.818 2.359 72 H LEU 10 HN LEU 10 -5.877 -9.693 5.282 73 HA LEU 10 HA LEU 10 -6.651 -7.588 7.045 74 HB2 LEU 10 HB2 LEU 10 -5.358 -10.265 7.544 75 HB3 LEU 10 HB1 LEU 10 -5.821 -9.169 8.832 76 HG LEU 10 HG LEU 10 -8.173 -9.324 7.550 77 HD11 LEU 10 HD11 LEU 10 -8.578 -11.627 6.844 78 HD12 LEU 10 HD12 LEU 10 -6.869 -11.998 7.072 79 HD13 LEU 10 HD13 LEU 10 -7.364 -10.844 5.834 80 HD21 LEU 10 HD21 LEU 10 -7.108 -11.307 9.554 81 HD22 LEU 10 HD22 LEU 10 -8.813 -11.023 9.206 82 HD23 LEU 10 HD23 LEU 10 -7.830 -9.738 9.910 83 H CYS 11 HN CYS 11 -5.329 -6.700 8.788 84 HA CYS 11 HA CYS 11 -2.844 -5.642 7.794 85 HB2 CYS 11 HB2 CYS 11 -4.534 -4.321 9.060 86 HB3 CYS 11 HB1 CYS 11 -4.141 -5.261 10.491 87 H ALA 12 HN ALA 12 -0.990 -6.598 7.975 88 HA ALA 12 HA ALA 12 -0.441 -8.853 9.588 89 HB1 ALA 12 HB1 ALA 12 1.544 -7.073 8.198 90 HB2 ALA 12 HB2 ALA 12 0.637 -8.373 7.426 91 HB3 ALA 12 HB3 ALA 12 1.787 -8.743 8.711 92 H SER 13 HN SER 13 -0.309 -5.511 10.418 93 HA SER 13 HA SER 13 1.703 -5.948 12.489 94 HB2 SER 13 HB2 SER 13 1.471 -3.470 12.873 95 HB3 SER 13 HB1 SER 13 2.034 -3.928 11.267 96 HG SER 13 HG SER 13 -0.541 -3.048 12.040 97 H CYS 14 HN CYS 14 -1.657 -4.659 12.358 98 HA CYS 14 HA CYS 14 -1.836 -5.059 15.251 99 HB2 CYS 14 HB2 CYS 14 -3.700 -3.606 15.266 100 HB3 CYS 14 HB1 CYS 14 -2.544 -2.885 14.156 101 H ASP 15 HN ASP 15 -2.413 -6.900 12.591 102 HA ASP 15 HA ASP 15 -3.599 -8.773 12.100 103 HB2 ASP 15 HB2 ASP 15 -2.566 -9.282 14.447 104 HB3 ASP 15 HB1 ASP 15 -4.226 -9.156 15.017 105 H LYS 16 HN LYS 16 -5.060 -6.338 11.989 106 HA LYS 16 HA LYS 16 -7.781 -7.259 12.649 107 HB2 LYS 16 HB2 LYS 16 -6.934 -5.197 13.872 108 HB3 LYS 16 HB1 LYS 16 -6.944 -4.374 12.333 109 HG2 LYS 16 HG2 LYS 16 -9.318 -4.602 12.143 110 HG3 LYS 16 HG1 LYS 16 -9.372 -5.642 13.563 111 HD2 LYS 16 HD2 LYS 16 -8.592 -3.785 14.955 112 HD3 LYS 16 HD1 LYS 16 -8.529 -2.746 13.530 113 HE2 LYS 16 HE2 LYS 16 -10.941 -3.028 13.222 114 HE3 LYS 16 HE1 LYS 16 -11.002 -4.065 14.646 115 HZ1 LYS 16 HZ1 LYS 16 -10.254 -2.200 15.991 116 HZ2 LYS 16 HZ2 LYS 16 -11.679 -1.809 15.170 117 HZ3 LYS 16 HZ3 LYS 16 -10.198 -1.205 14.623 118 H ARG 17 HN ARG 17 -9.435 -6.812 11.138 119 HA ARG 17 HA ARG 17 -8.745 -7.267 8.444 120 HB2 ARG 17 HB2 ARG 17 -11.388 -6.340 9.583 121 HB3 ARG 17 HB1 ARG 17 -11.144 -7.019 7.980 122 HG2 ARG 17 HG2 ARG 17 -10.267 -9.093 9.176 123 HG3 ARG 17 HG1 ARG 17 -10.960 -8.395 10.638 124 HD2 ARG 17 HD2 ARG 17 -13.152 -8.297 9.546 125 HD3 ARG 17 HD1 ARG 17 -12.458 -9.015 8.094 126 HE ARG 17 HE ARG 17 -11.882 -10.758 10.150 127 HH11 ARG 17 HH11 ARG 17 -14.813 -9.482 8.696 128 HH12 ARG 17 HH12 ARG 17 -15.748 -10.891 9.067 129 HH21 ARG 17 HH21 ARG 17 -13.125 -12.595 10.624 130 HH22 ARG 17 HH22 ARG 17 -14.792 -12.651 10.158 131 H ILE 18 HN ILE 18 -8.362 -5.979 6.781 132 HA ILE 18 HA ILE 18 -8.238 -3.124 7.129 133 HB ILE 18 HB ILE 18 -7.369 -5.065 5.021 134 HG12 ILE 18 HG12 ILE 18 -5.880 -2.763 6.292 135 HG13 ILE 18 HG11 ILE 18 -5.998 -4.345 7.048 136 HG21 ILE 18 HG21 ILE 18 -8.246 -3.534 3.506 137 HG22 ILE 18 HG22 ILE 18 -6.569 -3.014 3.675 138 HG23 ILE 18 HG23 ILE 18 -7.848 -2.144 4.523 139 HD11 ILE 18 HD11 ILE 18 -4.930 -4.127 4.271 140 HD12 ILE 18 HD12 ILE 18 -4.600 -5.330 5.517 141 HD13 ILE 18 HD13 ILE 18 -3.905 -3.714 5.647 142 H ARG 19 HN ARG 19 -9.731 -1.677 6.576 143 HA ARG 19 HA ARG 19 -12.059 -2.564 5.004 144 HB2 ARG 19 HB2 ARG 19 -11.791 -0.576 7.251 145 HB3 ARG 19 HB1 ARG 19 -13.193 -0.584 6.192 146 HG2 ARG 19 HG2 ARG 19 -13.671 -2.894 6.843 147 HG3 ARG 19 HG1 ARG 19 -12.267 -2.877 7.913 148 HD2 ARG 19 HD2 ARG 19 -13.271 -1.067 9.209 149 HD3 ARG 19 HD1 ARG 19 -14.666 -1.061 8.130 150 HE ARG 19 HE ARG 19 -14.363 -3.645 9.152 151 HH11 ARG 19 HH11 ARG 19 -15.223 -0.451 10.334 152 HH12 ARG 19 HH12 ARG 19 -16.211 -1.067 11.617 153 HH21 ARG 19 HH21 ARG 19 -15.662 -4.427 10.836 154 HH22 ARG 19 HH22 ARG 19 -16.458 -3.316 11.900 155 H ALA 20 HN ALA 20 -13.281 -0.365 4.216 156 HA ALA 20 HA ALA 20 -11.667 0.647 2.088 157 HB1 ALA 20 HB1 ALA 20 -13.623 1.619 1.252 158 HB2 ALA 20 HB2 ALA 20 -14.363 1.714 2.849 159 HB3 ALA 20 HB3 ALA 20 -14.168 0.150 2.062 160 H TYR 21 HN TYR 21 -12.884 2.026 5.110 161 HA TYR 21 HA TYR 21 -12.176 4.726 4.632 162 HB2 TYR 21 HB2 TYR 21 -13.732 4.401 6.365 163 HB3 TYR 21 HB1 TYR 21 -12.798 3.105 7.094 164 HD1 TYR 21 HD1 TYR 21 -10.844 3.637 8.528 165 HD2 TYR 21 HD2 TYR 21 -13.337 6.711 6.954 166 HE1 TYR 21 HE1 TYR 21 -9.881 5.222 10.140 167 HE2 TYR 21 HE2 TYR 21 -12.388 8.307 8.569 168 HH TYR 21 HH TYR 21 -11.254 8.269 10.753 169 H GLU 22 HN GLU 22 -10.382 1.976 5.813 170 HA GLU 22 HA GLU 22 -8.223 3.402 6.985 171 HB2 GLU 22 HB2 GLU 22 -8.205 0.550 6.008 172 HB3 GLU 22 HB1 GLU 22 -7.132 1.280 7.193 173 HG2 GLU 22 HG2 GLU 22 -10.080 1.213 7.670 174 HG3 GLU 22 HG1 GLU 22 -9.096 -0.210 7.996 175 H MET 23 HN MET 23 -8.950 2.634 3.713 176 HA MET 23 HA MET 23 -7.710 2.573 1.755 177 HB2 MET 23 HB2 MET 23 -6.848 5.161 3.043 178 HB3 MET 23 HB1 MET 23 -6.534 4.760 1.364 179 HG2 MET 23 HG2 MET 23 -8.955 4.595 0.970 180 HG3 MET 23 HG1 MET 23 -9.244 5.054 2.646 181 HE1 MET 23 HE1 MET 23 -9.367 7.431 3.498 182 HE2 MET 23 HE2 MET 23 -8.458 8.777 2.810 183 HE3 MET 23 HE3 MET 23 -7.605 7.388 3.481 184 H THR 24 HN THR 24 -6.317 0.944 1.682 185 HA THR 24 HA THR 24 -3.695 1.242 2.959 186 HB THR 24 HB THR 24 -3.475 -1.242 2.447 187 HG1 THR 24 HG1 THR 24 -5.192 -2.300 1.712 188 HG21 THR 24 HG21 THR 24 -4.678 -1.882 4.436 189 HG22 THR 24 HG22 THR 24 -5.700 -0.450 4.329 190 HG23 THR 24 HG23 THR 24 -3.982 -0.284 4.690 191 H MET 25 HN MET 25 -1.811 0.769 1.905 192 HA MET 25 HA MET 25 -1.869 1.221 -0.992 193 HB2 MET 25 HB2 MET 25 0.558 1.341 0.802 194 HB3 MET 25 HB1 MET 25 0.373 2.023 -0.805 195 HG2 MET 25 HG2 MET 25 0.276 3.868 0.603 196 HG3 MET 25 HG1 MET 25 -1.416 3.529 0.245 197 HE1 MET 25 HE1 MET 25 1.414 2.406 2.661 198 HE2 MET 25 HE2 MET 25 0.738 2.787 4.245 199 HE3 MET 25 HE3 MET 25 1.170 4.088 3.136 200 H ARG 26 HN ARG 26 -0.333 0.025 -2.341 201 HA ARG 26 HA ARG 26 -0.272 -2.777 -1.612 202 HB2 ARG 26 HB2 ARG 26 0.415 -1.273 -4.132 203 HB3 ARG 26 HB1 ARG 26 0.770 -2.985 -3.954 204 HG2 ARG 26 HG2 ARG 26 -1.614 -3.422 -3.561 205 HG3 ARG 26 HG1 ARG 26 -1.950 -1.706 -3.800 206 HD2 ARG 26 HD2 ARG 26 -1.130 -1.829 -6.074 207 HD3 ARG 26 HD1 ARG 26 -0.673 -3.517 -5.844 208 HE ARG 26 HE ARG 26 -3.366 -3.365 -5.270 209 HH11 ARG 26 HH11 ARG 26 -1.357 -2.762 -8.087 210 HH12 ARG 26 HH12 ARG 26 -2.614 -3.160 -9.211 211 HH21 ARG 26 HH21 ARG 26 -4.996 -3.883 -6.760 212 HH22 ARG 26 HH22 ARG 26 -4.672 -3.794 -8.459 213 H VAL 27 HN VAL 27 1.273 -3.435 -0.309 214 HA VAL 27 HA VAL 27 3.968 -2.290 -0.529 215 HB VAL 27 HB VAL 27 3.082 -4.134 1.705 216 HG11 VAL 27 HG11 VAL 27 4.748 -2.775 2.990 217 HG12 VAL 27 HG12 VAL 27 5.202 -2.005 1.469 218 HG13 VAL 27 HG13 VAL 27 5.432 -3.741 1.684 219 HG21 VAL 27 HG21 VAL 27 1.416 -2.393 1.692 220 HG22 VAL 27 HG22 VAL 27 2.660 -1.150 1.569 221 HG23 VAL 27 HG23 VAL 27 2.524 -2.120 3.035 222 H LYS 28 HN LYS 28 5.761 -3.983 -0.005 223 HA LYS 28 HA LYS 28 6.001 -5.725 -2.137 224 HB2 LYS 28 HB2 LYS 28 7.461 -5.456 0.454 225 HB3 LYS 28 HB1 LYS 28 7.845 -6.790 -0.623 226 HG2 LYS 28 HG2 LYS 28 8.322 -5.183 -2.419 227 HG3 LYS 28 HG1 LYS 28 7.975 -3.858 -1.306 228 HD2 LYS 28 HD2 LYS 28 9.812 -4.553 0.126 229 HD3 LYS 28 HD1 LYS 28 10.135 -5.933 -0.926 230 HE2 LYS 28 HE2 LYS 28 10.653 -4.401 -2.765 231 HE3 LYS 28 HE1 LYS 28 10.333 -3.026 -1.709 232 HZ1 LYS 28 HZ1 LYS 28 12.698 -3.482 -1.879 233 HZ2 LYS 28 HZ2 LYS 28 12.463 -5.055 -1.301 234 HZ3 LYS 28 HZ3 LYS 28 12.159 -3.732 -0.294 235 H ASP 29 HN ASP 29 5.577 -6.849 1.267 236 HA ASP 29 HA ASP 29 4.302 -9.257 0.145 237 HB2 ASP 29 HB2 ASP 29 6.172 -8.995 2.492 238 HB3 ASP 29 HB1 ASP 29 5.170 -10.419 2.237 239 H LYS 30 HN LYS 30 4.332 -7.059 2.944 240 HA LYS 30 HA LYS 30 1.662 -8.066 3.681 241 HB2 LYS 30 HB2 LYS 30 3.705 -6.716 5.451 242 HB3 LYS 30 HB1 LYS 30 2.157 -7.364 5.961 243 HG2 LYS 30 HG2 LYS 30 2.853 -9.582 5.672 244 HG3 LYS 30 HG1 LYS 30 4.237 -9.104 4.689 245 HD2 LYS 30 HD2 LYS 30 5.062 -7.892 6.803 246 HD3 LYS 30 HD1 LYS 30 3.865 -8.866 7.659 247 HE2 LYS 30 HE2 LYS 30 4.899 -10.902 6.783 248 HE3 LYS 30 HE1 LYS 30 6.092 -9.927 5.924 249 HZ1 LYS 30 HZ1 LYS 30 6.977 -10.788 8.001 250 HZ2 LYS 30 HZ2 LYS 30 5.745 -10.027 8.874 251 HZ3 LYS 30 HZ3 LYS 30 6.892 -9.098 8.047 252 H VAL 31 HN VAL 31 -0.007 -6.691 3.953 253 HA VAL 31 HA VAL 31 0.411 -3.870 3.225 254 HB VAL 31 HB VAL 31 -2.230 -5.363 3.358 255 HG11 VAL 31 HG11 VAL 31 -2.421 -2.923 3.522 256 HG12 VAL 31 HG12 VAL 31 -3.109 -3.533 2.016 257 HG13 VAL 31 HG13 VAL 31 -1.525 -2.755 2.011 258 HG21 VAL 31 HG21 VAL 31 -2.136 -5.500 0.909 259 HG22 VAL 31 HG22 VAL 31 -0.821 -6.401 1.664 260 HG23 VAL 31 HG23 VAL 31 -0.508 -4.824 0.940 261 H TYR 32 HN TYR 32 -0.461 -2.185 4.540 262 HA TYR 32 HA TYR 32 -1.321 -2.987 7.241 263 HB2 TYR 32 HB2 TYR 32 0.718 -0.815 6.720 264 HB3 TYR 32 HB1 TYR 32 0.185 -1.414 8.286 265 HD1 TYR 32 HD1 TYR 32 2.154 -2.239 5.271 266 HD2 TYR 32 HD2 TYR 32 1.141 -3.386 9.239 267 HE1 TYR 32 HE1 TYR 32 3.982 -3.878 5.249 268 HE2 TYR 32 HE2 TYR 32 2.971 -5.028 9.235 269 HH TYR 32 HH TYR 32 4.300 -6.302 7.604 270 H HIS 33 HN HIS 33 -2.548 -1.489 8.410 271 HA HIS 33 HA HIS 33 -4.386 0.115 6.970 272 HB2 HIS 33 HB2 HIS 33 -3.742 -0.160 9.908 273 HB3 HIS 33 HB1 HIS 33 -4.996 0.923 9.331 274 HD2 HIS 33 HD2 HIS 33 -6.940 -0.735 7.623 275 HE1 HIS 33 HE1 HIS 33 -6.629 -3.848 10.482 276 HE2 HIS 33 HE2 HIS 33 -8.094 -2.752 8.754 277 H LEU 34 HN LEU 34 -4.790 2.507 7.366 278 HA LEU 34 HA LEU 34 -2.433 4.018 6.904 279 HB2 LEU 34 HB2 LEU 34 -3.803 5.995 6.854 280 HB3 LEU 34 HB1 LEU 34 -4.596 4.710 5.978 281 HG LEU 34 HG LEU 34 -5.902 4.430 8.293 282 HD11 LEU 34 HD11 LEU 34 -5.103 7.342 8.257 283 HD12 LEU 34 HD12 LEU 34 -4.662 6.154 9.485 284 HD13 LEU 34 HD13 LEU 34 -6.348 6.634 9.286 285 HD21 LEU 34 HD21 LEU 34 -6.539 6.648 6.353 286 HD22 LEU 34 HD22 LEU 34 -7.676 5.756 7.364 287 HD23 LEU 34 HD23 LEU 34 -6.841 4.938 6.041 288 H GLU 35 HN GLU 35 -4.561 3.776 9.753 289 HA GLU 35 HA GLU 35 -3.080 5.503 11.433 290 HB2 GLU 35 HB2 GLU 35 -4.996 3.255 12.041 291 HB3 GLU 35 HB1 GLU 35 -4.273 4.249 13.297 292 HG2 GLU 35 HG2 GLU 35 -5.274 6.246 12.229 293 HG3 GLU 35 HG1 GLU 35 -6.076 5.182 11.075 294 H CYS 36 HN CYS 36 -2.554 2.229 10.473 295 HA CYS 36 HA CYS 36 -0.686 1.659 12.635 296 HB2 CYS 36 HB2 CYS 36 -1.371 -0.094 10.266 297 HB3 CYS 36 HB1 CYS 36 -0.618 -0.584 11.781 298 H PHE 37 HN PHE 37 -0.558 3.242 9.725 299 HA PHE 37 HA PHE 37 2.225 2.475 9.164 300 HB2 PHE 37 HB2 PHE 37 0.320 2.444 7.377 301 HB3 PHE 37 HB1 PHE 37 0.516 4.191 7.368 302 HD1 PHE 37 HD2 PHE 37 2.385 1.014 6.878 303 HD2 PHE 37 HD1 PHE 37 2.153 5.186 6.033 304 HE1 PHE 37 HE2 PHE 37 4.219 0.785 5.258 305 HE2 PHE 37 HE1 PHE 37 3.988 4.957 4.414 306 HZ PHE 37 HZ PHE 37 5.024 2.758 4.023 307 H LYS 38 HN LYS 38 2.205 3.849 11.367 308 HA LYS 38 HA LYS 38 2.897 6.618 10.640 309 HB2 LYS 38 HB2 LYS 38 2.289 7.241 13.005 310 HB3 LYS 38 HB1 LYS 38 0.940 6.773 11.986 311 HG2 LYS 38 HG2 LYS 38 0.897 4.568 13.053 312 HG3 LYS 38 HG1 LYS 38 2.260 5.035 14.071 313 HD2 LYS 38 HD2 LYS 38 0.912 6.839 15.039 314 HD3 LYS 38 HD1 LYS 38 -0.450 6.364 14.022 315 HE2 LYS 38 HE2 LYS 38 -0.497 4.173 15.107 316 HE3 LYS 38 HE1 LYS 38 0.870 4.641 16.118 317 HZ1 LYS 38 HZ1 LYS 38 -0.491 6.394 17.078 318 HZ2 LYS 38 HZ2 LYS 38 -1.221 4.884 17.296 319 HZ3 LYS 38 HZ3 LYS 38 -1.802 5.941 16.110 320 H CYS 39 HN CYS 39 4.545 7.654 11.962 321 HA CYS 39 HA CYS 39 6.883 6.084 12.234 322 HB2 CYS 39 HB2 CYS 39 6.879 8.504 11.671 323 HB3 CYS 39 HB1 CYS 39 6.381 8.859 13.320 324 H ALA 40 HN ALA 40 8.079 5.489 14.032 325 HA ALA 40 HA ALA 40 6.513 5.037 16.456 326 HB1 ALA 40 HB1 ALA 40 7.796 3.213 15.240 327 HB2 ALA 40 HB2 ALA 40 8.029 3.322 16.984 328 HB3 ALA 40 HB3 ALA 40 9.258 3.956 15.890 329 H ALA 41 HN ALA 41 8.715 7.316 15.353 330 HA ALA 41 HA ALA 41 9.832 7.811 18.024 331 HB1 ALA 41 HB1 ALA 41 10.724 8.969 15.388 332 HB2 ALA 41 HB2 ALA 41 11.436 7.557 16.169 333 HB3 ALA 41 HB3 ALA 41 11.533 9.138 16.945 334 H CYS 42 HN CYS 42 8.351 9.606 15.293 335 HA CYS 42 HA CYS 42 7.604 11.712 17.210 336 HB2 CYS 42 HB2 CYS 42 7.495 13.262 15.353 337 HB3 CYS 42 HB1 CYS 42 9.052 12.447 15.341 338 H GLN 43 HN GLN 43 6.306 9.106 15.652 339 HA GLN 43 HA GLN 43 4.230 8.275 15.338 340 HB2 GLN 43 HB2 GLN 43 3.527 10.615 17.090 341 HB3 GLN 43 HB1 GLN 43 2.291 9.530 16.472 342 HG2 GLN 43 HG2 GLN 43 2.748 8.683 18.580 343 HG3 GLN 43 HG1 GLN 43 3.709 7.656 17.519 344 HE21 GLN 43 HE21 GLN 43 5.951 7.858 17.519 345 HE22 GLN 43 HE22 GLN 43 6.800 8.670 18.785 346 H LYS 44 HN LYS 44 5.334 10.700 13.648 347 HA LYS 44 HA LYS 44 3.086 11.954 12.460 348 HB2 LYS 44 HB2 LYS 44 5.648 12.539 12.386 349 HB3 LYS 44 HB1 LYS 44 5.636 11.538 10.945 350 HG2 LYS 44 HG2 LYS 44 3.931 12.987 9.954 351 HG3 LYS 44 HG1 LYS 44 3.945 13.990 11.405 352 HD2 LYS 44 HD2 LYS 44 6.302 14.523 11.012 353 HD3 LYS 44 HD1 LYS 44 6.290 13.512 9.565 354 HE2 LYS 44 HE2 LYS 44 4.591 14.966 8.569 355 HE3 LYS 44 HE1 LYS 44 4.606 15.975 10.015 356 HZ1 LYS 44 HZ1 LYS 44 6.925 16.499 9.579 357 HZ2 LYS 44 HZ2 LYS 44 5.958 16.929 8.260 358 HZ3 LYS 44 HZ3 LYS 44 6.908 15.532 8.191 359 H HIS 45 HN HIS 45 2.438 11.718 10.166 360 HA HIS 45 HA HIS 45 2.079 8.885 9.510 361 HB2 HIS 45 HB2 HIS 45 0.628 11.379 8.606 362 HB3 HIS 45 HB1 HIS 45 0.334 9.792 7.904 363 HD1 HIS 45 HD1 HIS 45 -1.222 8.255 9.148 364 HD2 HIS 45 HD2 HIS 45 -0.139 11.589 11.378 365 HE1 HIS 45 HE1 HIS 45 -2.685 8.201 11.193 366 HE2 HIS 45 HE2 HIS 45 -2.074 10.277 12.483 367 H PHE 46 HN PHE 46 2.341 8.107 7.372 368 HA PHE 46 HA PHE 46 4.491 9.476 5.924 369 HB2 PHE 46 HB2 PHE 46 3.571 6.609 5.948 370 HB3 PHE 46 HB1 PHE 46 4.749 7.213 4.798 371 HD1 PHE 46 HD2 PHE 46 4.148 7.184 8.494 372 HD2 PHE 46 HD1 PHE 46 6.970 6.936 5.313 373 HE1 PHE 46 HE2 PHE 46 5.930 6.767 10.122 374 HE2 PHE 46 HE1 PHE 46 8.761 6.509 6.942 375 HZ PHE 46 HZ PHE 46 8.246 6.428 9.351 376 H SER 47 HN SER 47 4.426 9.824 3.753 377 HA SER 47 HA SER 47 1.791 9.632 2.450 378 HB2 SER 47 HB2 SER 47 3.826 11.863 2.191 379 HB3 SER 47 HB1 SER 47 2.310 11.757 1.296 380 HG SER 47 HG SER 47 1.261 12.418 3.001 381 H VAL 48 HN VAL 48 1.869 9.644 0.066 382 HA VAL 48 HA VAL 48 3.622 7.670 -0.949 383 HB VAL 48 HB VAL 48 2.647 8.330 -3.219 384 HG11 VAL 48 HG11 VAL 48 0.836 7.486 -0.967 385 HG12 VAL 48 HG12 VAL 48 1.817 6.442 -1.996 386 HG13 VAL 48 HG13 VAL 48 0.454 7.326 -2.681 387 HG21 VAL 48 HG21 VAL 48 0.592 9.675 -3.188 388 HG22 VAL 48 HG22 VAL 48 1.994 10.631 -2.710 389 HG23 VAL 48 HG23 VAL 48 0.864 10.052 -1.486 390 H GLY 49 HN GLY 49 5.317 7.745 -2.398 391 HA2 GLY 49 HA2 GLY 49 6.788 8.857 -3.917 392 HA3 GLY 49 HA1 GLY 49 6.361 10.384 -3.165 393 H ASP 50 HN ASP 50 6.727 9.343 -0.435 394 HA ASP 50 HA ASP 50 9.631 9.619 -0.323 395 HB2 ASP 50 HB2 ASP 50 7.471 9.819 1.777 396 HB3 ASP 50 HB1 ASP 50 9.187 9.858 2.170 397 H ARG 51 HN ARG 51 10.981 8.235 0.856 398 HA ARG 51 HA ARG 51 10.138 5.456 0.850 399 HB2 ARG 51 HB2 ARG 51 12.835 6.729 1.343 400 HB3 ARG 51 HB1 ARG 51 12.545 4.996 1.330 401 HG2 ARG 51 HG2 ARG 51 11.694 5.289 -1.032 402 HG3 ARG 51 HG1 ARG 51 12.350 6.924 -0.963 403 HD2 ARG 51 HD2 ARG 51 14.568 6.023 -0.489 404 HD3 ARG 51 HD1 ARG 51 13.919 4.384 -0.533 405 HE ARG 51 HE ARG 51 13.330 5.707 -2.953 406 HH11 ARG 51 HH11 ARG 51 16.061 4.283 -1.265 407 HH12 ARG 51 HH12 ARG 51 16.920 3.919 -2.724 408 HH21 ARG 51 HH21 ARG 51 14.472 5.221 -4.850 409 HH22 ARG 51 HH22 ARG 51 16.020 4.451 -4.752 410 H TYR 52 HN TYR 52 10.126 4.086 2.619 411 HA TYR 52 HA TYR 52 10.418 5.369 5.249 412 HB2 TYR 52 HB2 TYR 52 8.472 4.259 6.082 413 HB3 TYR 52 HB1 TYR 52 8.022 5.039 4.577 414 HD1 TYR 52 HD1 TYR 52 7.571 3.664 2.555 415 HD2 TYR 52 HD2 TYR 52 8.381 1.869 6.333 416 HE1 TYR 52 HE1 TYR 52 6.631 1.535 1.746 417 HE2 TYR 52 HE2 TYR 52 7.457 -0.254 5.524 418 HH TYR 52 HH TYR 52 5.898 -1.046 3.808 419 H LEU 53 HN LEU 53 10.982 4.005 7.010 420 HA LEU 53 HA LEU 53 12.432 1.576 6.194 421 HB2 LEU 53 HB2 LEU 53 13.803 3.474 7.079 422 HB3 LEU 53 HB1 LEU 53 12.938 3.340 8.597 423 HG LEU 53 HG LEU 53 13.924 0.768 8.114 424 HD11 LEU 53 HD11 LEU 53 16.025 2.842 7.520 425 HD12 LEU 53 HD12 LEU 53 15.396 1.643 6.391 426 HD13 LEU 53 HD13 LEU 53 16.321 1.127 7.801 427 HD21 LEU 53 HD21 LEU 53 15.295 1.219 10.068 428 HD22 LEU 53 HD22 LEU 53 13.679 1.899 10.271 429 HD23 LEU 53 HD23 LEU 53 15.036 2.951 9.868 430 H LEU 54 HN LEU 54 11.829 -0.313 7.049 431 HA LEU 54 HA LEU 54 9.666 -0.327 9.012 432 HB2 LEU 54 HB2 LEU 54 9.714 -1.647 6.763 433 HB3 LEU 54 HB1 LEU 54 10.747 -2.765 7.630 434 HG LEU 54 HG LEU 54 8.132 -2.058 8.874 435 HD11 LEU 54 HD11 LEU 54 6.991 -3.781 7.555 436 HD12 LEU 54 HD12 LEU 54 8.421 -3.939 6.536 437 HD13 LEU 54 HD13 LEU 54 7.515 -2.427 6.555 438 HD21 LEU 54 HD21 LEU 54 9.699 -3.531 10.031 439 HD22 LEU 54 HD22 LEU 54 9.714 -4.618 8.642 440 HD23 LEU 54 HD23 LEU 54 8.233 -4.401 9.575 441 H ILE 55 HN ILE 55 10.250 -0.378 11.065 442 HA ILE 55 HA ILE 55 12.760 -1.608 11.860 443 HB ILE 55 HB ILE 55 11.676 0.684 12.713 444 HG12 ILE 55 HG12 ILE 55 13.082 0.225 14.894 445 HG13 ILE 55 HG11 ILE 55 13.525 -1.249 14.042 446 HG21 ILE 55 HG21 ILE 55 10.871 -1.206 14.914 447 HG22 ILE 55 HG22 ILE 55 9.743 -0.425 13.805 448 HG23 ILE 55 HG23 ILE 55 10.716 0.553 14.904 449 HD11 ILE 55 HD11 ILE 55 14.512 -0.018 12.267 450 HD12 ILE 55 HD12 ILE 55 15.115 0.661 13.779 451 HD13 ILE 55 HD13 ILE 55 13.856 1.502 12.874 452 H ASN 56 HN ASN 56 12.572 -2.756 14.151 453 HA ASN 56 HA ASN 56 11.652 -5.308 13.804 454 HB2 ASN 56 HB2 ASN 56 11.906 -3.866 16.446 455 HB3 ASN 56 HB1 ASN 56 11.906 -5.610 16.220 456 HD21 ASN 56 HD21 ASN 56 13.669 -2.652 15.720 457 HD22 ASN 56 HD22 ASN 56 15.212 -3.377 15.453 458 H SER 57 HN SER 57 9.783 -2.609 15.130 459 HA SER 57 HA SER 57 7.471 -4.422 15.335 460 HB2 SER 57 HB2 SER 57 6.598 -2.889 17.113 461 HB3 SER 57 HB1 SER 57 8.085 -3.729 17.552 462 HG SER 57 HG SER 57 9.198 -1.778 16.878 463 H ASP 58 HN ASP 58 8.186 -0.921 14.926 464 HA ASP 58 HA ASP 58 5.876 -0.784 13.097 465 HB2 ASP 58 HB2 ASP 58 6.817 1.159 15.196 466 HB3 ASP 58 HB1 ASP 58 5.767 1.671 13.880 467 H ILE 59 HN ILE 59 6.263 1.852 12.204 468 HA ILE 59 HA ILE 59 8.714 1.590 10.582 469 HB ILE 59 HB ILE 59 6.156 3.079 9.903 470 HG12 ILE 59 HG12 ILE 59 6.351 1.216 7.975 471 HG13 ILE 59 HG11 ILE 59 7.115 0.336 9.292 472 HG21 ILE 59 HG21 ILE 59 7.156 3.209 7.613 473 HG22 ILE 59 HG22 ILE 59 8.685 2.683 8.326 474 HG23 ILE 59 HG23 ILE 59 7.951 4.202 8.833 475 HD11 ILE 59 HD11 ILE 59 5.134 0.602 10.654 476 HD12 ILE 59 HD12 ILE 59 4.722 -0.138 9.108 477 HD13 ILE 59 HD13 ILE 59 4.372 1.567 9.391 478 H VAL 60 HN VAL 60 10.088 3.342 10.357 479 HA VAL 60 HA VAL 60 9.543 5.688 12.069 480 HB VAL 60 HB VAL 60 12.328 4.650 11.491 481 HG11 VAL 60 HG11 VAL 60 12.946 5.999 13.452 482 HG12 VAL 60 HG12 VAL 60 11.271 6.531 13.604 483 HG13 VAL 60 HG13 VAL 60 12.214 6.980 12.183 484 HG21 VAL 60 HG21 VAL 60 10.706 4.094 13.975 485 HG22 VAL 60 HG22 VAL 60 12.372 3.600 13.671 486 HG23 VAL 60 HG23 VAL 60 11.061 2.917 12.711 487 H CYS 61 HN CYS 61 9.619 7.620 11.109 488 HA CYS 61 HA CYS 61 9.873 7.926 8.317 489 HB2 CYS 61 HB2 CYS 61 9.382 10.209 8.664 490 HB3 CYS 61 HB1 CYS 61 8.521 9.351 9.936 491 H GLU 62 HN GLU 62 11.344 9.277 7.120 492 HA GLU 62 HA GLU 62 14.057 8.698 7.472 493 HB2 GLU 62 HB2 GLU 62 12.650 10.770 5.800 494 HB3 GLU 62 HB1 GLU 62 14.394 10.564 5.759 495 HG2 GLU 62 HG2 GLU 62 14.110 8.252 5.032 496 HG3 GLU 62 HG1 GLU 62 12.359 8.450 5.084 497 H GLN 63 HN GLN 63 12.134 11.228 8.819 498 HA GLN 63 HA GLN 63 14.169 13.118 9.416 499 HB2 GLN 63 HB2 GLN 63 11.539 13.290 9.481 500 HB3 GLN 63 HB1 GLN 63 11.759 12.811 11.158 501 HG2 GLN 63 HG2 GLN 63 13.217 14.742 11.517 502 HG3 GLN 63 HG1 GLN 63 12.998 15.220 9.835 503 HE21 GLN 63 HE21 GLN 63 11.518 14.980 12.969 504 HE22 GLN 63 HE22 GLN 63 10.152 15.982 12.626 505 H ASP 64 HN ASP 64 12.841 10.364 11.202 506 HA ASP 64 HA ASP 64 14.837 10.764 13.336 507 HB2 ASP 64 HB2 ASP 64 12.395 8.996 13.507 508 HB3 ASP 64 HB1 ASP 64 13.414 9.550 14.825 509 H ILE 65 HN ILE 65 14.656 9.042 10.584 510 HA ILE 65 HA ILE 65 14.993 6.355 11.223 511 HB ILE 65 HB ILE 65 14.596 7.061 8.947 512 HG12 ILE 65 HG12 ILE 65 16.892 5.303 9.611 513 HG13 ILE 65 HG11 ILE 65 15.408 4.934 8.749 514 HG21 ILE 65 HG21 ILE 65 16.316 8.085 7.531 515 HG22 ILE 65 HG22 ILE 65 17.381 8.220 8.929 516 HG23 ILE 65 HG23 ILE 65 15.869 9.126 8.884 517 HD11 ILE 65 HD11 ILE 65 17.379 4.662 7.342 518 HD12 ILE 65 HD12 ILE 65 17.799 6.356 7.601 519 HD13 ILE 65 HD13 ILE 65 16.322 5.936 6.728 520 H TYR 66 HN TYR 66 17.610 8.733 10.699 521 HA TYR 66 HA TYR 66 19.765 7.032 11.192 522 HB2 TYR 66 HB2 TYR 66 19.935 9.233 10.089 523 HB3 TYR 66 HB1 TYR 66 19.609 10.025 11.624 524 HD1 TYR 66 HD2 TYR 66 21.301 10.122 13.356 525 HD2 TYR 66 HD1 TYR 66 22.104 8.222 9.636 526 HE1 TYR 66 HE2 TYR 66 23.693 10.146 13.877 527 HE2 TYR 66 HE1 TYR 66 24.514 8.243 10.143 528 HH TYR 66 HH TYR 66 25.736 8.929 13.235 529 H GLU 67 HN GLU 67 18.234 9.337 13.470 530 HA GLU 67 HA GLU 67 19.844 8.672 15.691 531 HB2 GLU 67 HB2 GLU 67 17.164 10.027 15.452 532 HB3 GLU 67 HB1 GLU 67 17.938 9.766 17.008 533 HG2 GLU 67 HG2 GLU 67 19.866 11.070 16.270 534 HG3 GLU 67 HG1 GLU 67 19.094 11.328 14.707 535 H TRP 68 HN TRP 68 16.662 7.433 14.661 536 HA TRP 68 HA TRP 68 16.122 5.902 16.982 537 HB2 TRP 68 HB2 TRP 68 14.398 6.561 15.314 538 HB3 TRP 68 HB1 TRP 68 15.101 5.422 14.171 539 HD1 TRP 68 HD1 TRP 68 14.654 2.838 14.566 540 HE1 TRP 68 HE1 TRP 68 12.925 1.571 15.996 541 HE3 TRP 68 HE3 TRP 68 13.089 6.679 17.573 542 HZ2 TRP 68 HZ2 TRP 68 11.145 2.120 18.110 543 HZ3 TRP 68 HZ3 TRP 68 11.374 6.217 19.275 544 HH2 TRP 68 HH2 TRP 68 10.425 3.984 19.536 545 H THR 69 HN THR 69 17.463 4.922 13.814 546 HA THR 69 HA THR 69 17.905 2.210 14.462 547 HB THR 69 HB THR 69 19.549 2.236 12.554 548 HG1 THR 69 HG1 THR 69 20.331 4.218 12.302 549 HG21 THR 69 HG21 THR 69 16.833 3.440 12.006 550 HG22 THR 69 HG22 THR 69 17.193 1.721 12.173 551 HG23 THR 69 HG23 THR 69 17.859 2.634 10.818 552 H LYS 70 HN LYS 70 19.707 5.083 15.056 553 HA LYS 70 HA LYS 70 22.262 4.025 15.628 554 HB2 LYS 70 HB2 LYS 70 21.333 6.485 15.280 555 HB3 LYS 70 HB1 LYS 70 21.227 6.450 17.032 556 HG2 LYS 70 HG2 LYS 70 23.612 5.948 17.165 557 HG3 LYS 70 HG1 LYS 70 23.709 5.987 15.405 558 HD2 LYS 70 HD2 LYS 70 22.736 8.353 15.598 559 HD3 LYS 70 HD1 LYS 70 23.162 8.244 17.307 560 HE2 LYS 70 HE2 LYS 70 25.495 7.734 16.634 561 HE3 LYS 70 HE1 LYS 70 25.027 8.006 14.956 562 HZ1 LYS 70 HZ1 LYS 70 26.052 9.969 15.918 563 HZ2 LYS 70 HZ2 LYS 70 24.879 10.018 17.135 564 HZ3 LYS 70 HZ3 LYS 70 24.435 10.277 15.524 565 H ILE 71 HN ILE 71 19.460 4.709 17.683 566 HA ILE 71 HA ILE 71 20.801 3.837 20.106 567 HB ILE 71 HB ILE 71 17.860 4.468 19.897 568 HG12 ILE 71 HG12 ILE 71 18.927 6.402 18.904 569 HG13 ILE 71 HG11 ILE 71 18.381 6.828 20.516 570 HG21 ILE 71 HG21 ILE 71 18.104 5.158 22.247 571 HG22 ILE 71 HG22 ILE 71 19.804 4.689 22.195 572 HG23 ILE 71 HG23 ILE 71 18.546 3.469 21.988 573 HD11 ILE 71 HD11 ILE 71 21.226 6.219 19.713 574 HD12 ILE 71 HD12 ILE 71 20.686 6.645 21.337 575 HD13 ILE 71 HD13 ILE 71 20.547 7.816 20.025 576 H ASN 72 HN ASN 72 18.073 2.696 18.107 577 HA ASN 72 HA ASN 72 17.636 0.348 19.705 578 HB2 ASN 72 HB2 ASN 72 16.511 1.319 17.092 579 HB3 ASN 72 HB1 ASN 72 16.118 -0.275 17.729 580 HD21 ASN 72 HD21 ASN 72 15.682 3.135 18.071 581 HD22 ASN 72 HD22 ASN 72 14.453 3.071 19.280 582 H GLY 73 HN GLY 73 19.480 1.061 16.817 583 HA2 GLY 73 HA2 GLY 73 20.116 -1.806 16.513 584 HA3 GLY 73 HA1 GLY 73 20.259 -0.608 15.237 585 H GLY 74 HN GLY 74 22.342 -2.281 15.730 586 HA2 GLY 74 HA2 GLY 74 24.275 -0.759 17.340 587 HA3 GLY 74 HA1 GLY 74 24.475 -2.417 16.798 588 H SER 75 HN SER 75 26.104 -2.559 15.430 589 HA SER 75 HA SER 75 26.354 -0.537 13.302 590 HB2 SER 75 HB2 SER 75 28.111 -0.277 15.075 591 HB3 SER 75 HB1 SER 75 28.684 -1.897 14.679 592 HG SER 75 HG SER 75 29.178 0.443 13.427 593 H GLY 76 HN GLY 76 27.087 -3.871 14.298 594 HA2 GLY 76 HA2 GLY 76 26.569 -5.761 12.948 595 HA3 GLY 76 HA1 GLY 76 26.667 -4.737 11.524 596 H GLY 77 HN GLY 77 28.115 -7.231 12.961 597 HA2 GLY 77 HA2 GLY 77 30.608 -6.801 11.537 598 HA3 GLY 77 HA1 GLY 77 30.765 -6.940 13.283 599 H SER 78 HN SER 78 31.208 -8.618 10.602 600 HA SER 78 HA SER 78 31.457 -10.794 10.027 601 HB2 SER 78 HB2 SER 78 31.103 -11.322 12.988 602 HB3 SER 78 HB1 SER 78 31.682 -12.497 11.808 603 HG SER 78 HG SER 78 33.103 -10.239 11.589 604 H GLY 79 HN GLY 79 30.131 -12.068 8.949 605 HA2 GLY 79 HA2 GLY 79 28.304 -13.717 9.065 606 HA3 GLY 79 HA1 GLY 79 27.427 -12.550 10.043 607 H GLY 80 HN GLY 80 26.074 -11.184 9.065 608 HA2 GLY 80 HA2 GLY 80 26.406 -10.558 6.229 609 HA3 GLY 80 HA1 GLY 80 24.929 -11.389 6.695 610 H SER 81 HN SER 81 26.177 -8.452 6.017 611 HA SER 81 HA SER 81 24.141 -7.062 7.627 612 HB2 SER 81 HB2 SER 81 26.912 -6.044 6.948 613 HB3 SER 81 HB1 SER 81 25.660 -5.115 7.773 614 HG SER 81 HG SER 81 26.054 -7.503 8.978 615 H GLY 82 HN GLY 82 22.773 -5.814 6.519 616 HA2 GLY 82 HA2 GLY 82 23.486 -4.555 4.026 617 HA3 GLY 82 HA1 GLY 82 22.367 -5.897 3.832 618 H GLY 83 HN GLY 83 22.024 -3.011 3.332 619 HA2 GLY 83 HA2 GLY 83 19.848 -2.422 5.241 620 HA3 GLY 83 HA1 GLY 83 20.753 -1.201 4.359 621 H ASP 84 HN ASP 84 17.823 -2.385 4.555 622 HA ASP 84 HA ASP 84 17.292 -2.133 1.667 623 HB2 ASP 84 HB2 ASP 84 17.051 -4.500 2.780 624 HB3 ASP 84 HB1 ASP 84 15.548 -3.839 3.415 625 H VAL 85 HN VAL 85 15.676 -0.785 1.096 626 HA VAL 85 HA VAL 85 14.016 0.388 3.236 627 HB VAL 85 HB VAL 85 14.887 2.008 0.842 628 HG11 VAL 85 HG11 VAL 85 14.372 3.911 2.291 629 HG12 VAL 85 HG12 VAL 85 13.950 2.806 3.600 630 HG13 VAL 85 HG13 VAL 85 12.981 2.838 2.126 631 HG21 VAL 85 HG21 VAL 85 16.330 1.870 3.492 632 HG22 VAL 85 HG22 VAL 85 16.651 3.035 2.207 633 HG23 VAL 85 HG23 VAL 85 16.954 1.318 1.937 634 H MET 86 HN MET 86 11.903 0.981 2.668 635 HA MET 86 HA MET 86 10.922 -0.126 0.115 636 HB2 MET 86 HB2 MET 86 9.581 -0.137 2.826 637 HB3 MET 86 HB1 MET 86 8.782 -0.598 1.331 638 HG2 MET 86 HG2 MET 86 10.314 -2.450 1.044 639 HG3 MET 86 HG1 MET 86 11.206 -1.963 2.484 640 HE1 MET 86 HE1 MET 86 9.596 -5.165 3.892 641 HE2 MET 86 HE2 MET 86 11.050 -4.171 3.811 642 HE3 MET 86 HE3 MET 86 10.390 -4.891 2.342 643 H VAL 87 HN VAL 87 9.412 1.049 -1.027 644 HA VAL 87 HA VAL 87 9.049 3.828 -0.205 645 HB VAL 87 HB VAL 87 8.193 2.868 -2.902 646 HG11 VAL 87 HG11 VAL 87 9.016 5.079 -3.572 647 HG12 VAL 87 HG12 VAL 87 9.527 5.374 -1.910 648 HG13 VAL 87 HG13 VAL 87 7.816 5.171 -2.283 649 HG21 VAL 87 HG21 VAL 87 11.086 3.331 -2.167 650 HG22 VAL 87 HG22 VAL 87 10.464 3.169 -3.809 651 HG23 VAL 87 HG23 VAL 87 10.372 1.807 -2.694 652 H VAL 88 HN VAL 88 7.073 4.721 0.182 653 HA VAL 88 HA VAL 88 4.867 3.055 0.804 654 HB VAL 88 HB VAL 88 4.582 6.025 0.346 655 HG11 VAL 88 HG11 VAL 88 3.313 4.132 2.322 656 HG12 VAL 88 HG12 VAL 88 2.548 4.810 0.886 657 HG13 VAL 88 HG13 VAL 88 3.003 5.866 2.223 658 HG21 VAL 88 HG21 VAL 88 5.397 6.503 2.552 659 HG22 VAL 88 HG22 VAL 88 6.650 5.624 1.677 660 HG23 VAL 88 HG23 VAL 88 5.662 4.792 2.876 661 H GLY 89 HN GLY 89 3.711 1.996 -0.661 662 HA2 GLY 89 HA2 GLY 89 3.432 2.697 -3.392 663 HA3 GLY 89 HA1 GLY 89 2.516 1.463 -2.547 664 H GLU 90 HN GLU 90 1.410 3.037 -4.554 665 HA GLU 90 HA GLU 90 -0.049 5.264 -3.588 666 HB2 GLU 90 HB2 GLU 90 -1.459 4.933 -5.650 667 HB3 GLU 90 HB1 GLU 90 0.260 5.120 -5.939 668 HG2 GLU 90 HG2 GLU 90 0.470 2.697 -6.248 669 HG3 GLU 90 HG1 GLU 90 -1.259 2.514 -5.958 670 HA PRO 91 HA PRO 91 -3.227 3.034 -1.293 671 HB2 PRO 91 HB2 PRO 91 -4.867 5.104 -0.703 672 HB3 PRO 91 HB1 PRO 91 -3.327 4.847 0.121 673 HG2 PRO 91 HG2 PRO 91 -3.991 6.744 -2.096 674 HG3 PRO 91 HG1 PRO 91 -2.987 7.009 -0.660 675 HD2 PRO 91 HD2 PRO 91 -1.957 6.479 -3.132 676 HD3 PRO 91 HD1 PRO 91 -1.139 6.037 -1.621 677 H THR 92 HN THR 92 -5.142 2.043 -1.768 678 HA THR 92 HA THR 92 -6.595 2.994 -4.153 679 HB THR 92 HB THR 92 -7.217 0.552 -4.511 680 HG1 THR 92 HG1 THR 92 -6.453 -0.834 -3.122 681 HG21 THR 92 HG21 THR 92 -5.129 0.034 -5.691 682 HG22 THR 92 HG22 THR 92 -4.313 1.329 -4.816 683 HG23 THR 92 HG23 THR 92 -5.611 1.712 -5.947 684 H LEU 93 HN LEU 93 -8.483 3.799 -3.558 685 HA LEU 93 HA LEU 93 -9.817 3.209 -1.135 686 HB2 LEU 93 HB2 LEU 93 -10.713 4.618 -3.639 687 HB3 LEU 93 HB1 LEU 93 -11.745 4.446 -2.233 688 HG LEU 93 HG LEU 93 -9.519 5.513 -1.096 689 HD11 LEU 93 HD11 LEU 93 -9.756 6.753 -3.831 690 HD12 LEU 93 HD12 LEU 93 -8.404 5.785 -3.245 691 HD13 LEU 93 HD13 LEU 93 -8.756 7.346 -2.505 692 HD21 LEU 93 HD21 LEU 93 -11.806 6.241 -0.743 693 HD22 LEU 93 HD22 LEU 93 -11.831 6.992 -2.338 694 HD23 LEU 93 HD23 LEU 93 -10.763 7.622 -1.082 695 H MET 94 HN MET 94 -10.884 1.463 -0.612 696 HA MET 94 HA MET 94 -11.629 -0.581 -2.427 697 HB2 MET 94 HB2 MET 94 -11.123 -0.583 0.182 698 HB3 MET 94 HB1 MET 94 -12.872 -0.455 0.276 699 HG2 MET 94 HG2 MET 94 -11.367 -2.616 -1.184 700 HG3 MET 94 HG1 MET 94 -12.070 -2.771 0.422 701 HE1 MET 94 HE1 MET 94 -15.831 -3.003 -0.160 702 HE2 MET 94 HE2 MET 94 -14.845 -1.723 0.548 703 HE3 MET 94 HE3 MET 94 -14.481 -3.414 0.897 704 H GLY 95 HN GLY 95 -13.552 1.847 -0.675 705 HA2 GLY 95 HA2 GLY 95 -15.405 2.594 -2.406 706 HA3 GLY 95 HA1 GLY 95 -15.993 0.982 -2.031 707 H GLY 96 HN GLY 96 -16.968 0.575 -0.075 708 HA2 GLY 96 HA2 GLY 96 -17.103 1.494 2.315 709 HA3 GLY 96 HA1 GLY 96 -17.620 2.970 1.517 710 H GLU 97 HN GLU 97 -18.581 0.004 2.828 711 HA GLU 97 HA GLU 97 -21.350 0.471 1.958 712 HB2 GLU 97 HB2 GLU 97 -19.858 -2.152 1.942 713 HB3 GLU 97 HB1 GLU 97 -21.613 -2.079 1.978 714 HG2 GLU 97 HG2 GLU 97 -20.009 -0.704 -0.154 715 HG3 GLU 97 HG1 GLU 97 -20.491 -2.395 -0.284 716 H PHE 98 HN PHE 98 -22.973 -0.308 3.403 717 HA PHE 98 HA PHE 98 -22.107 -0.251 6.191 718 HB2 PHE 98 HB2 PHE 98 -24.809 0.072 4.881 719 HB3 PHE 98 HB1 PHE 98 -24.597 -0.003 6.626 720 HD1 PHE 98 HD1 PHE 98 -23.553 1.822 7.832 721 HD2 PHE 98 HD2 PHE 98 -24.097 2.001 3.615 722 HE1 PHE 98 HE1 PHE 98 -23.114 4.242 7.882 723 HE2 PHE 98 HE2 PHE 98 -23.658 4.420 3.657 724 HZ PHE 98 HZ PHE 98 -23.166 5.545 5.792 725 H GLY 99 HN GLY 99 -22.475 -2.637 4.019 726 HA2 GLY 99 HA2 GLY 99 -24.000 -4.505 5.658 727 HA3 GLY 99 HA1 GLY 99 -23.335 -4.820 4.064 728 H ASP 100 HN ASP 100 -23.016 -5.380 7.345 729 HA ASP 100 HA ASP 100 -20.333 -6.530 6.968 730 HB2 ASP 100 HB2 ASP 100 -21.351 -4.946 9.329 731 HB3 ASP 100 HB1 ASP 100 -19.928 -5.977 9.421 732 H GLU 101 HN GLU 101 -23.297 -7.463 7.097 733 HA GLU 101 HA GLU 101 -23.244 -9.347 9.312 734 HB2 GLU 101 HB2 GLU 101 -25.292 -8.692 7.202 735 HB3 GLU 101 HB1 GLU 101 -25.488 -10.048 8.303 736 HG2 GLU 101 HG2 GLU 101 -25.400 -8.520 10.206 737 HG3 GLU 101 HG1 GLU 101 -25.197 -7.159 9.103 738 H ASP 102 HN ASP 102 -22.393 -9.315 5.988 739 HA ASP 102 HA ASP 102 -22.696 -12.165 5.567 740 HB2 ASP 102 HB2 ASP 102 -21.572 -9.941 3.871 741 HB3 ASP 102 HB1 ASP 102 -21.518 -11.630 3.378 742 H GLU 103 HN GLU 103 -20.265 -10.074 6.793 743 HA GLU 103 HA GLU 103 -18.060 -11.859 6.198 744 HB2 GLU 103 HB2 GLU 103 -16.711 -10.206 7.555 745 HB3 GLU 103 HB1 GLU 103 -17.452 -9.582 6.091 746 HG2 GLU 103 HG2 GLU 103 -19.231 -8.567 7.426 747 HG3 GLU 103 HG1 GLU 103 -18.484 -9.194 8.894 748 H ARG 104 HN ARG 104 -20.270 -11.322 8.791 749 HA ARG 104 HA ARG 104 -18.648 -12.796 10.722 750 HB2 ARG 104 HB2 ARG 104 -21.275 -11.330 10.938 751 HB3 ARG 104 HB1 ARG 104 -20.650 -12.328 12.240 752 HG2 ARG 104 HG2 ARG 104 -18.943 -10.161 11.092 753 HG3 ARG 104 HG1 ARG 104 -20.223 -9.755 12.233 754 HD2 ARG 104 HD2 ARG 104 -18.237 -10.015 13.504 755 HD3 ARG 104 HD1 ARG 104 -19.212 -11.453 13.802 756 HE ARG 104 HE ARG 104 -17.397 -11.899 11.669 757 HH11 ARG 104 HH11 ARG 104 -17.472 -11.657 15.173 758 HH12 ARG 104 HH12 ARG 104 -16.079 -12.665 15.385 759 HH21 ARG 104 HH21 ARG 104 -15.577 -13.215 11.973 760 HH22 ARG 104 HH22 ARG 104 -15.009 -13.545 13.575 761 H LEU 105 HN LEU 105 -21.043 -13.422 8.400 762 HA LEU 105 HA LEU 105 -22.095 -15.788 9.749 763 HB2 LEU 105 HB2 LEU 105 -23.096 -13.965 7.828 764 HB3 LEU 105 HB1 LEU 105 -23.003 -15.528 7.041 765 HG LEU 105 HG LEU 105 -24.255 -16.362 9.199 766 HD11 LEU 105 HD11 LEU 105 -25.812 -14.693 10.080 767 HD12 LEU 105 HD12 LEU 105 -25.018 -13.444 9.119 768 HD13 LEU 105 HD13 LEU 105 -24.136 -14.254 10.415 769 HD21 LEU 105 HD21 LEU 105 -25.138 -16.493 6.941 770 HD22 LEU 105 HD22 LEU 105 -25.602 -14.792 7.005 771 HD23 LEU 105 HD23 LEU 105 -26.390 -15.961 8.063 772 H ILE 106 HN ILE 106 -19.513 -15.023 7.730 773 HA ILE 106 HA ILE 106 -17.938 -16.218 6.612 774 HB ILE 106 HB ILE 106 -19.196 -18.789 7.606 775 HG12 ILE 106 HG12 ILE 106 -16.925 -17.693 9.138 776 HG13 ILE 106 HG11 ILE 106 -18.418 -16.775 9.298 777 HG21 ILE 106 HG21 ILE 106 -16.351 -18.082 6.872 778 HG22 ILE 106 HG22 ILE 106 -17.459 -19.067 5.917 779 HG23 ILE 106 HG23 ILE 106 -16.893 -19.645 7.483 780 HD11 ILE 106 HD11 ILE 106 -18.204 -18.428 11.062 781 HD12 ILE 106 HD12 ILE 106 -18.086 -19.714 9.860 782 HD13 ILE 106 HD13 ILE 106 -19.582 -18.794 10.024 783 H THR 107 HN THR 107 -17.881 -16.376 4.492 784 HA THR 107 HA THR 107 -19.858 -18.011 3.071 785 HB THR 107 HB THR 107 -19.977 -16.200 1.287 786 HG1 THR 107 HG1 THR 107 -19.696 -14.072 2.741 787 HG21 THR 107 HG21 THR 107 -21.192 -15.592 3.985 788 HG22 THR 107 HG22 THR 107 -21.853 -16.698 2.782 789 HG23 THR 107 HG23 THR 107 -21.757 -14.973 2.433 790 H ARG 108 HN ARG 108 -16.706 -16.564 3.259 791 HA ARG 108 HA ARG 108 -14.710 -16.962 2.264 792 HB2 ARG 108 HB2 ARG 108 -16.119 -19.462 1.328 793 HB3 ARG 108 HB1 ARG 108 -14.433 -19.129 0.958 794 HG2 ARG 108 HG2 ARG 108 -13.923 -19.058 3.348 795 HG3 ARG 108 HG1 ARG 108 -15.616 -19.394 3.717 796 HD2 ARG 108 HD2 ARG 108 -15.444 -21.533 2.541 797 HD3 ARG 108 HD1 ARG 108 -13.754 -21.194 2.167 798 HE ARG 108 HE ARG 108 -14.124 -21.033 4.945 799 HH11 ARG 108 HH11 ARG 108 -14.079 -23.471 2.417 800 HH12 ARG 108 HH12 ARG 108 -13.566 -24.733 3.487 801 HH21 ARG 108 HH21 ARG 108 -13.451 -22.701 6.325 802 HH22 ARG 108 HH22 ARG 108 -13.211 -24.297 5.697 803 H LEU 109 HN LEU 109 -13.789 -15.945 0.639 804 HA LEU 109 HA LEU 109 -15.110 -15.886 -1.972 805 HB2 LEU 109 HB2 LEU 109 -13.952 -13.590 -0.442 806 HB3 LEU 109 HB1 LEU 109 -14.304 -13.495 -2.156 807 HG LEU 109 HG LEU 109 -16.724 -14.241 -1.329 808 HD11 LEU 109 HD11 LEU 109 -15.596 -12.760 1.044 809 HD12 LEU 109 HD12 LEU 109 -16.095 -14.451 1.020 810 HD13 LEU 109 HD13 LEU 109 -17.292 -13.175 0.793 811 HD21 LEU 109 HD21 LEU 109 -16.205 -12.231 -2.608 812 HD22 LEU 109 HD22 LEU 109 -15.655 -11.428 -1.137 813 HD23 LEU 109 HD23 LEU 109 -17.350 -11.881 -1.314 814 H GLU 110 HN GLU 110 -12.407 -16.316 -0.203 815 HA GLU 110 HA GLU 110 -10.362 -15.679 -2.105 816 HB2 GLU 110 HB2 GLU 110 -10.352 -17.219 0.482 817 HB3 GLU 110 HB1 GLU 110 -8.915 -17.081 -0.519 818 HG2 GLU 110 HG2 GLU 110 -9.002 -14.650 -0.314 819 HG3 GLU 110 HG1 GLU 110 -10.449 -14.786 0.683 820 H ASN 111 HN ASN 111 -9.650 -16.816 -3.756 821 HA ASN 111 HA ASN 111 -10.104 -19.723 -3.846 822 HB2 ASN 111 HB2 ASN 111 -11.669 -18.199 -5.300 823 HB3 ASN 111 HB1 ASN 111 -10.260 -18.065 -6.346 824 HD21 ASN 111 HD21 ASN 111 -12.704 -20.179 -5.080 825 HD22 ASN 111 HD22 ASN 111 -12.444 -21.479 -6.187 826 H THR 112 HN THR 112 -8.640 -20.869 -5.320 827 HA THR 112 HA THR 112 -5.954 -19.745 -5.201 828 HB THR 112 HB THR 112 -5.279 -22.059 -6.023 829 HG1 THR 112 HG1 THR 112 -7.249 -22.757 -6.871 830 HG21 THR 112 HG21 THR 112 -6.803 -21.868 -3.420 831 HG22 THR 112 HG22 THR 112 -5.116 -21.421 -3.669 832 HG23 THR 112 HG23 THR 112 -5.613 -23.105 -3.826 833 H GLN 113 HN GLN 113 -5.102 -18.701 -6.845 834 HA GLN 113 HA GLN 113 -5.784 -19.501 -9.594 835 HB2 GLN 113 HB2 GLN 113 -5.696 -16.709 -8.455 836 HB3 GLN 113 HB1 GLN 113 -5.560 -17.022 -10.179 837 HG2 GLN 113 HG2 GLN 113 -7.753 -18.095 -10.161 838 HG3 GLN 113 HG1 GLN 113 -7.888 -17.787 -8.431 839 HE21 GLN 113 HE21 GLN 113 -8.229 -15.686 -7.705 840 HE22 GLN 113 HE22 GLN 113 -8.775 -14.429 -8.756 841 H PHE 114 HN PHE 114 -4.163 -19.183 -11.154 842 HA PHE 114 HA PHE 114 -1.454 -19.061 -10.035 843 HB2 PHE 114 HB2 PHE 114 -2.519 -20.175 -12.635 844 HB3 PHE 114 HB1 PHE 114 -0.801 -20.040 -12.278 845 HD1 PHE 114 HD1 PHE 114 -3.907 -21.804 -11.510 846 HD2 PHE 114 HD2 PHE 114 0.248 -21.484 -10.642 847 HE1 PHE 114 HE1 PHE 114 -3.977 -23.988 -10.379 848 HE2 PHE 114 HE2 PHE 114 0.184 -23.668 -9.511 849 HZ PHE 114 HZ PHE 114 -1.930 -24.923 -9.380 850 H ASP 115 HN ASP 115 0.104 -17.684 -10.806 851 HA ASP 115 HA ASP 115 -0.745 -15.634 -12.744 852 HB2 ASP 115 HB2 ASP 115 0.689 -15.231 -10.116 853 HB3 ASP 115 HB1 ASP 115 0.650 -14.007 -11.380 854 H ALA 116 HN ALA 116 0.815 -14.846 -14.129 855 HA ALA 116 HA ALA 116 3.388 -16.288 -14.129 856 HB1 ALA 116 HB1 ALA 116 3.366 -16.168 -16.561 857 HB2 ALA 116 HB2 ALA 116 1.821 -15.319 -16.517 858 HB3 ALA 116 HB3 ALA 116 1.925 -16.989 -15.962 859 H ALA 117 HN ALA 117 5.219 -15.136 -14.259 860 HA ALA 117 HA ALA 117 4.993 -12.213 -14.318 861 HB1 ALA 117 HB1 ALA 117 7.293 -13.938 -13.404 862 HB2 ALA 117 HB2 ALA 117 6.078 -13.202 -12.359 863 HB3 ALA 117 HB3 ALA 117 7.190 -12.182 -13.271 864 H ASN 118 HN ASN 118 6.813 -14.883 -15.790 865 HA ASN 118 HA ASN 118 7.827 -13.028 -17.839 866 HB2 ASN 118 HB2 ASN 118 8.862 -15.701 -16.883 867 HB3 ASN 118 HB1 ASN 118 9.456 -14.912 -18.341 868 HD21 ASN 118 HD21 ASN 118 10.671 -13.030 -18.164 869 HD22 ASN 118 HD22 ASN 118 11.400 -12.546 -16.673 870 H GLY 119 HN GLY 119 7.552 -13.459 -20.004 871 HA2 GLY 119 HA2 GLY 119 5.534 -15.519 -20.634 872 HA3 GLY 119 HA1 GLY 119 5.747 -14.020 -21.525 873 H ILE 120 HN ILE 120 5.952 -15.076 -23.483 874 HA ILE 120 HA ILE 120 6.818 -16.359 -25.153 875 HB ILE 120 HB ILE 120 9.217 -15.833 -25.698 876 HG12 ILE 120 HG12 ILE 120 9.291 -13.621 -23.738 877 HG13 ILE 120 HG11 ILE 120 9.540 -15.221 -23.048 878 HG21 ILE 120 HG21 ILE 120 7.379 -14.560 -26.602 879 HG22 ILE 120 HG22 ILE 120 8.731 -13.487 -26.240 880 HG23 ILE 120 HG23 ILE 120 7.337 -13.543 -25.161 881 HD11 ILE 120 HD11 ILE 120 11.136 -13.998 -25.290 882 HD12 ILE 120 HD12 ILE 120 11.389 -15.599 -24.596 883 HD13 ILE 120 HD13 ILE 120 11.650 -14.161 -23.611 884 H ASP 121 HN ASP 121 6.665 -18.477 -24.934 885 HA ASP 121 HA ASP 121 8.904 -19.899 -23.656 886 HB2 ASP 121 HB2 ASP 121 7.259 -21.746 -23.153 887 HB3 ASP 121 HB1 ASP 121 7.017 -20.264 -22.240 888 H ASP 122 HN ASP 122 10.013 -21.239 -24.893 889 HA ASP 122 HA ASP 122 10.746 -22.495 -26.629 890 HB2 ASP 122 HB2 ASP 122 7.795 -23.048 -26.981 891 HB3 ASP 122 HB1 ASP 122 9.049 -23.836 -27.934 892 H GLU 123 HN GLU 123 11.630 -21.862 -28.458 893 HA GLU 123 HA GLU 123 10.124 -20.025 -30.204 894 HB2 GLU 123 HB2 GLU 123 13.056 -20.078 -29.501 895 HB3 GLU 123 HB1 GLU 123 12.445 -19.206 -30.898 896 HG2 GLU 123 HG2 GLU 123 11.041 -17.842 -29.441 897 HG3 GLU 123 HG1 GLU 123 11.639 -18.725 -28.036 Start of MODEL 10 1 H TYR 1 HT1 TYR 1 -31.264 -14.412 9.017 2 HA TYR 1 HA TYR 1 -29.137 -13.483 8.382 3 HB2 TYR 1 HB2 TYR 1 -29.747 -14.416 10.756 4 HB3 TYR 1 HB1 TYR 1 -28.543 -15.645 10.384 5 HD1 TYR 1 HD1 TYR 1 -29.098 -12.100 11.121 6 HD2 TYR 1 HD2 TYR 1 -26.185 -15.072 10.240 7 HE1 TYR 1 HE1 TYR 1 -27.321 -10.568 11.860 8 HE2 TYR 1 HE2 TYR 1 -24.399 -13.549 10.977 9 HH TYR 1 HH TYR 1 -25.013 -10.694 12.700 10 H LEU 2 HN LEU 2 -27.384 -13.661 7.154 11 HA LEU 2 HA LEU 2 -26.337 -16.338 6.513 12 HB2 LEU 2 HB2 LEU 2 -26.856 -14.066 4.592 13 HB3 LEU 2 HB1 LEU 2 -25.874 -15.463 4.196 14 HG LEU 2 HG LEU 2 -28.068 -16.776 4.905 15 HD11 LEU 2 HD11 LEU 2 -29.136 -14.112 3.973 16 HD12 LEU 2 HD12 LEU 2 -29.318 -14.797 5.587 17 HD13 LEU 2 HD13 LEU 2 -30.083 -15.582 4.207 18 HD21 LEU 2 HD21 LEU 2 -26.984 -16.922 2.738 19 HD22 LEU 2 HD22 LEU 2 -27.695 -15.381 2.258 20 HD23 LEU 2 HD23 LEU 2 -28.731 -16.779 2.543 21 H ARG 3 HN ARG 3 -24.143 -16.523 6.301 22 HA ARG 3 HA ARG 3 -22.500 -14.669 7.667 23 HB2 ARG 3 HB2 ARG 3 -21.879 -17.088 5.982 24 HB3 ARG 3 HB1 ARG 3 -20.617 -16.129 6.740 25 HG2 ARG 3 HG2 ARG 3 -21.585 -16.590 8.938 26 HG3 ARG 3 HG1 ARG 3 -22.850 -17.556 8.174 27 HD2 ARG 3 HD2 ARG 3 -21.147 -19.077 7.290 28 HD3 ARG 3 HD1 ARG 3 -19.887 -18.113 8.059 29 HE ARG 3 HE ARG 3 -21.756 -18.912 10.001 30 HH11 ARG 3 HH11 ARG 3 -19.236 -20.319 8.001 31 HH12 ARG 3 HH12 ARG 3 -18.898 -21.594 9.123 32 HH21 ARG 3 HH21 ARG 3 -21.297 -20.590 11.454 33 HH22 ARG 3 HH22 ARG 3 -20.066 -21.747 11.076 34 H LEU 4 HN LEU 4 -20.769 -13.395 6.929 35 HA LEU 4 HA LEU 4 -20.964 -12.560 4.107 36 HB2 LEU 4 HB2 LEU 4 -20.335 -10.925 6.565 37 HB3 LEU 4 HB1 LEU 4 -20.114 -10.336 4.929 38 HG LEU 4 HG LEU 4 -22.676 -10.988 4.715 39 HD11 LEU 4 HD11 LEU 4 -23.890 -10.510 6.784 40 HD12 LEU 4 HD12 LEU 4 -22.361 -10.411 7.659 41 HD13 LEU 4 HD13 LEU 4 -22.872 -11.942 6.947 42 HD21 LEU 4 HD21 LEU 4 -21.658 -8.499 6.080 43 HD22 LEU 4 HD22 LEU 4 -23.232 -8.672 5.303 44 HD23 LEU 4 HD23 LEU 4 -21.758 -8.773 4.340 45 H PHE 5 HN PHE 5 -19.059 -11.995 3.016 46 HA PHE 5 HA PHE 5 -16.549 -12.876 4.286 47 HB2 PHE 5 HB2 PHE 5 -17.527 -13.439 1.482 48 HB3 PHE 5 HB1 PHE 5 -15.857 -13.670 1.985 49 HD1 PHE 5 HD1 PHE 5 -15.245 -15.476 3.476 50 HD2 PHE 5 HD2 PHE 5 -19.281 -14.914 2.248 51 HE1 PHE 5 HE1 PHE 5 -15.799 -17.737 4.274 52 HE2 PHE 5 HE2 PHE 5 -19.842 -17.173 3.045 53 HZ PHE 5 HZ PHE 5 -18.100 -18.588 4.060 54 H GLY 6 HN GLY 6 -14.643 -11.822 3.632 55 HA2 GLY 6 HA2 GLY 6 -14.951 -9.431 1.948 56 HA3 GLY 6 HA1 GLY 6 -14.330 -9.242 3.581 57 H GLN 7 HN GLN 7 -12.238 -8.812 3.449 58 HA GLN 7 HA GLN 7 -10.592 -10.124 1.417 59 HB2 GLN 7 HB2 GLN 7 -10.233 -7.703 3.151 60 HB3 GLN 7 HB1 GLN 7 -8.833 -8.475 2.416 61 HG2 GLN 7 HG2 GLN 7 -9.845 -8.167 0.202 62 HG3 GLN 7 HG1 GLN 7 -11.224 -7.366 0.955 63 HE21 GLN 7 HE21 GLN 7 -10.987 -5.296 1.770 64 HE22 GLN 7 HE22 GLN 7 -9.626 -4.300 1.395 65 H ASP 8 HN ASP 8 -8.548 -11.052 1.957 66 HA ASP 8 HA ASP 8 -8.606 -12.468 4.523 67 HB2 ASP 8 HB2 ASP 8 -7.197 -13.024 1.916 68 HB3 ASP 8 HB1 ASP 8 -6.877 -13.938 3.387 69 H GLY 9 HN GLY 9 -6.977 -9.896 3.011 70 HA2 GLY 9 HA2 GLY 9 -4.482 -10.297 4.484 71 HA3 GLY 9 HA1 GLY 9 -4.790 -9.054 3.282 72 H LEU 10 HN LEU 10 -5.569 -10.057 6.582 73 HA LEU 10 HA LEU 10 -6.597 -7.489 7.335 74 HB2 LEU 10 HB2 LEU 10 -6.725 -8.417 9.615 75 HB3 LEU 10 HB1 LEU 10 -7.532 -9.389 8.413 76 HG LEU 10 HG LEU 10 -5.244 -10.737 8.476 77 HD11 LEU 10 HD11 LEU 10 -5.474 -9.531 11.230 78 HD12 LEU 10 HD12 LEU 10 -4.162 -9.260 10.086 79 HD13 LEU 10 HD13 LEU 10 -4.411 -10.863 10.779 80 HD21 LEU 10 HD21 LEU 10 -6.382 -12.082 10.357 81 HD22 LEU 10 HD22 LEU 10 -7.250 -11.856 8.837 82 HD23 LEU 10 HD23 LEU 10 -7.662 -10.867 10.240 83 H CYS 11 HN CYS 11 -5.730 -6.238 9.221 84 HA CYS 11 HA CYS 11 -3.193 -5.224 8.577 85 HB2 CYS 11 HB2 CYS 11 -5.030 -4.020 9.800 86 HB3 CYS 11 HB1 CYS 11 -4.568 -4.921 11.240 87 H ALA 12 HN ALA 12 -1.216 -5.513 9.267 88 HA ALA 12 HA ALA 12 -0.412 -7.885 10.586 89 HB1 ALA 12 HB1 ALA 12 0.928 -6.605 8.913 90 HB2 ALA 12 HB2 ALA 12 1.819 -7.086 10.356 91 HB3 ALA 12 HB3 ALA 12 1.266 -5.420 10.175 92 H SER 13 HN SER 13 -1.047 -4.642 11.709 93 HA SER 13 HA SER 13 0.012 -5.184 14.375 94 HB2 SER 13 HB2 SER 13 0.433 -2.980 13.245 95 HB3 SER 13 HB1 SER 13 -1.296 -2.653 13.344 96 HG SER 13 HG SER 13 -0.989 -3.034 15.691 97 H CYS 14 HN CYS 14 -3.079 -4.321 12.809 98 HA CYS 14 HA CYS 14 -4.523 -5.000 15.271 99 HB2 CYS 14 HB2 CYS 14 -5.877 -4.017 12.778 100 HB3 CYS 14 HB1 CYS 14 -6.373 -3.832 14.451 101 H ASP 15 HN ASP 15 -5.733 -6.792 15.455 102 HA ASP 15 HA ASP 15 -5.627 -8.777 13.351 103 HB2 ASP 15 HB2 ASP 15 -5.372 -9.162 15.916 104 HB3 ASP 15 HB1 ASP 15 -7.130 -9.096 15.944 105 H LYS 16 HN LYS 16 -6.937 -6.755 12.292 106 HA LYS 16 HA LYS 16 -9.800 -7.450 12.422 107 HB2 LYS 16 HB2 LYS 16 -9.108 -5.166 13.350 108 HB3 LYS 16 HB1 LYS 16 -8.691 -4.733 11.704 109 HG2 LYS 16 HG2 LYS 16 -10.809 -3.838 11.970 110 HG3 LYS 16 HG1 LYS 16 -11.121 -5.360 11.140 111 HD2 LYS 16 HD2 LYS 16 -11.698 -6.408 13.279 112 HD3 LYS 16 HD1 LYS 16 -11.363 -4.890 14.114 113 HE2 LYS 16 HE2 LYS 16 -13.152 -3.803 12.843 114 HE3 LYS 16 HE1 LYS 16 -13.484 -5.321 12.012 115 HZ1 LYS 16 HZ1 LYS 16 -14.061 -6.315 14.140 116 HZ2 LYS 16 HZ2 LYS 16 -15.026 -4.960 13.831 117 HZ3 LYS 16 HZ3 LYS 16 -13.748 -4.853 14.934 118 H ARG 17 HN ARG 17 -10.682 -8.104 10.574 119 HA ARG 17 HA ARG 17 -9.243 -8.576 8.240 120 HB2 ARG 17 HB2 ARG 17 -11.500 -8.945 7.164 121 HB3 ARG 17 HB1 ARG 17 -11.175 -9.897 8.600 122 HG2 ARG 17 HG2 ARG 17 -12.577 -8.410 9.927 123 HG3 ARG 17 HG1 ARG 17 -12.862 -7.396 8.512 124 HD2 ARG 17 HD2 ARG 17 -13.940 -9.278 7.381 125 HD3 ARG 17 HD1 ARG 17 -13.646 -10.296 8.790 126 HE ARG 17 HE ARG 17 -15.068 -8.029 9.616 127 HH11 ARG 17 HH11 ARG 17 -15.607 -10.903 7.670 128 HH12 ARG 17 HH12 ARG 17 -17.307 -10.946 8.000 129 HH21 ARG 17 HH21 ARG 17 -17.295 -8.106 10.033 130 HH22 ARG 17 HH22 ARG 17 -18.261 -9.363 9.336 131 H ILE 18 HN ILE 18 -8.284 -7.083 7.059 132 HA ILE 18 HA ILE 18 -8.980 -4.388 6.828 133 HB ILE 18 HB ILE 18 -7.181 -6.244 5.326 134 HG12 ILE 18 HG12 ILE 18 -6.715 -3.577 6.690 135 HG13 ILE 18 HG11 ILE 18 -6.507 -5.148 7.452 136 HG21 ILE 18 HG21 ILE 18 -6.750 -4.969 3.499 137 HG22 ILE 18 HG22 ILE 18 -7.129 -3.457 4.326 138 HG23 ILE 18 HG23 ILE 18 -8.432 -4.488 3.735 139 HD11 ILE 18 HD11 ILE 18 -4.692 -5.661 5.893 140 HD12 ILE 18 HD12 ILE 18 -4.372 -4.200 6.827 141 HD13 ILE 18 HD13 ILE 18 -4.891 -4.076 5.146 142 H ARG 19 HN ARG 19 -11.022 -3.876 6.306 143 HA ARG 19 HA ARG 19 -11.959 -4.385 3.592 144 HB2 ARG 19 HB2 ARG 19 -12.812 -6.141 5.431 145 HB3 ARG 19 HB1 ARG 19 -13.991 -4.871 5.721 146 HG2 ARG 19 HG2 ARG 19 -14.592 -4.947 3.316 147 HG3 ARG 19 HG1 ARG 19 -13.490 -6.309 3.122 148 HD2 ARG 19 HD2 ARG 19 -15.609 -7.282 3.395 149 HD3 ARG 19 HD1 ARG 19 -14.829 -7.444 4.967 150 HE ARG 19 HE ARG 19 -16.285 -5.065 4.984 151 HH11 ARG 19 HH11 ARG 19 -16.949 -8.510 4.817 152 HH12 ARG 19 HH12 ARG 19 -18.500 -8.364 5.572 153 HH21 ARG 19 HH21 ARG 19 -18.318 -4.897 5.971 154 HH22 ARG 19 HH22 ARG 19 -19.274 -6.320 6.224 155 H ALA 20 HN ALA 20 -14.197 -3.256 3.305 156 HA ALA 20 HA ALA 20 -15.371 -1.349 3.083 157 HB1 ALA 20 HB1 ALA 20 -16.119 -2.005 5.329 158 HB2 ALA 20 HB2 ALA 20 -16.165 -0.260 5.080 159 HB3 ALA 20 HB3 ALA 20 -14.866 -0.980 6.031 160 H TYR 21 HN TYR 21 -13.143 -0.043 5.563 161 HA TYR 21 HA TYR 21 -12.735 2.325 3.972 162 HB2 TYR 21 HB2 TYR 21 -12.980 2.320 6.487 163 HB3 TYR 21 HB1 TYR 21 -11.382 1.591 6.579 164 HD1 TYR 21 HD1 TYR 21 -9.388 2.896 6.056 165 HD2 TYR 21 HD2 TYR 21 -13.256 4.659 5.893 166 HE1 TYR 21 HE1 TYR 21 -8.359 5.130 6.024 167 HE2 TYR 21 HE2 TYR 21 -12.240 6.898 5.859 168 HH TYR 21 HH TYR 21 -8.933 7.409 5.303 169 H GLU 22 HN GLU 22 -10.427 0.045 5.481 170 HA GLU 22 HA GLU 22 -8.190 -0.247 5.080 171 HB2 GLU 22 HB2 GLU 22 -7.878 -1.622 2.981 172 HB3 GLU 22 HB1 GLU 22 -9.072 -2.188 4.130 173 HG2 GLU 22 HG2 GLU 22 -10.521 -2.340 2.453 174 HG3 GLU 22 HG1 GLU 22 -10.484 -0.583 2.319 175 H MET 23 HN MET 23 -8.869 0.503 1.658 176 HA MET 23 HA MET 23 -7.656 1.704 0.138 177 HB2 MET 23 HB2 MET 23 -8.426 3.679 2.267 178 HB3 MET 23 HB1 MET 23 -7.590 4.202 0.811 179 HG2 MET 23 HG2 MET 23 -10.168 2.654 0.803 180 HG3 MET 23 HG1 MET 23 -10.074 4.411 0.748 181 HE1 MET 23 HE1 MET 23 -11.641 2.729 -1.448 182 HE2 MET 23 HE2 MET 23 -11.115 3.556 -2.914 183 HE3 MET 23 HE3 MET 23 -11.495 4.486 -1.465 184 H THR 24 HN THR 24 -5.881 0.217 1.507 185 HA THR 24 HA THR 24 -3.596 2.005 2.004 186 HB THR 24 HB THR 24 -4.108 0.767 3.990 187 HG1 THR 24 HG1 THR 24 -1.825 -0.374 2.760 188 HG21 THR 24 HG21 THR 24 -3.836 -1.768 2.384 189 HG22 THR 24 HG22 THR 24 -5.325 -1.140 3.091 190 HG23 THR 24 HG23 THR 24 -4.014 -1.687 4.138 191 H MET 25 HN MET 25 -1.441 0.799 1.618 192 HA MET 25 HA MET 25 -1.616 -0.438 -1.013 193 HB2 MET 25 HB2 MET 25 -0.399 1.833 -0.614 194 HB3 MET 25 HB1 MET 25 0.881 0.839 0.063 195 HG2 MET 25 HG2 MET 25 -0.204 0.388 -2.698 196 HG3 MET 25 HG1 MET 25 1.088 1.534 -2.369 197 HE1 MET 25 HE1 MET 25 3.513 0.949 -1.912 198 HE2 MET 25 HE2 MET 25 4.107 -0.643 -1.447 199 HE3 MET 25 HE3 MET 25 3.077 0.269 -0.345 200 H ARG 26 HN ARG 26 -0.361 -2.269 -1.487 201 HA ARG 26 HA ARG 26 0.124 -4.005 0.753 202 HB2 ARG 26 HB2 ARG 26 0.363 -4.359 -2.228 203 HB3 ARG 26 HB1 ARG 26 0.868 -5.610 -1.102 204 HG2 ARG 26 HG2 ARG 26 -1.424 -5.637 -0.171 205 HG3 ARG 26 HG1 ARG 26 -1.902 -4.472 -1.409 206 HD2 ARG 26 HD2 ARG 26 -1.247 -6.068 -3.151 207 HD3 ARG 26 HD1 ARG 26 -0.789 -7.231 -1.907 208 HE ARG 26 HE ARG 26 -3.474 -6.398 -1.564 209 HH11 ARG 26 HH11 ARG 26 -1.508 -8.493 -3.583 210 HH12 ARG 26 HH12 ARG 26 -2.822 -9.560 -3.955 211 HH21 ARG 26 HH21 ARG 26 -5.180 -7.806 -2.065 212 HH22 ARG 26 HH22 ARG 26 -4.898 -9.169 -3.097 213 H VAL 27 HN VAL 27 1.916 -4.128 1.864 214 HA VAL 27 HA VAL 27 4.396 -2.982 0.873 215 HB VAL 27 HB VAL 27 4.252 -4.343 3.550 216 HG11 VAL 27 HG11 VAL 27 5.589 -2.294 4.186 217 HG12 VAL 27 HG12 VAL 27 5.637 -1.898 2.468 218 HG13 VAL 27 HG13 VAL 27 6.360 -3.397 3.048 219 HG21 VAL 27 HG21 VAL 27 3.357 -2.231 4.548 220 HG22 VAL 27 HG22 VAL 27 2.184 -3.150 3.608 221 HG23 VAL 27 HG23 VAL 27 2.929 -1.708 2.920 222 H LYS 28 HN LYS 28 6.434 -4.426 1.775 223 HA LYS 28 HA LYS 28 6.895 -6.416 -0.041 224 HB2 LYS 28 HB2 LYS 28 8.117 -5.889 2.652 225 HB3 LYS 28 HB1 LYS 28 8.685 -7.207 1.636 226 HG2 LYS 28 HG2 LYS 28 9.222 -5.618 -0.137 227 HG3 LYS 28 HG1 LYS 28 8.634 -4.293 0.871 228 HD2 LYS 28 HD2 LYS 28 10.354 -4.801 2.538 229 HD3 LYS 28 HD1 LYS 28 10.938 -6.128 1.531 230 HE2 LYS 28 HE2 LYS 28 11.480 -4.536 -0.247 231 HE3 LYS 28 HE1 LYS 28 10.897 -3.211 0.760 232 HZ1 LYS 28 HZ1 LYS 28 13.181 -4.996 1.411 233 HZ2 LYS 28 HZ2 LYS 28 12.626 -3.716 2.368 234 HZ3 LYS 28 HZ3 LYS 28 13.303 -3.403 0.849 235 H ASP 29 HN ASP 29 6.357 -7.223 3.435 236 HA ASP 29 HA ASP 29 5.158 -9.757 2.516 237 HB2 ASP 29 HB2 ASP 29 7.487 -9.728 3.737 238 HB3 ASP 29 HB1 ASP 29 6.500 -9.548 5.184 239 H LYS 30 HN LYS 30 5.079 -7.223 4.978 240 HA LYS 30 HA LYS 30 2.559 -8.293 6.042 241 HB2 LYS 30 HB2 LYS 30 4.433 -6.195 7.148 242 HB3 LYS 30 HB1 LYS 30 2.949 -6.720 7.926 243 HG2 LYS 30 HG2 LYS 30 3.820 -8.902 8.303 244 HG3 LYS 30 HG1 LYS 30 5.223 -8.581 7.283 245 HD2 LYS 30 HD2 LYS 30 5.747 -6.695 8.952 246 HD3 LYS 30 HD1 LYS 30 4.595 -7.508 10.015 247 HE2 LYS 30 HE2 LYS 30 5.905 -9.565 9.860 248 HE3 LYS 30 HE1 LYS 30 7.048 -8.759 8.786 249 HZ1 LYS 30 HZ1 LYS 30 7.586 -7.224 10.576 250 HZ2 LYS 30 HZ2 LYS 30 7.869 -8.822 11.052 251 HZ3 LYS 30 HZ3 LYS 30 6.495 -8.006 11.606 252 H VAL 31 HN VAL 31 0.749 -6.948 6.383 253 HA VAL 31 HA VAL 31 0.661 -4.524 4.709 254 HB VAL 31 HB VAL 31 -0.648 -6.437 3.764 255 HG11 VAL 31 HG11 VAL 31 -2.402 -6.111 6.193 256 HG12 VAL 31 HG12 VAL 31 -1.415 -7.517 5.791 257 HG13 VAL 31 HG13 VAL 31 -2.786 -7.081 4.771 258 HG21 VAL 31 HG21 VAL 31 -1.232 -4.160 3.169 259 HG22 VAL 31 HG22 VAL 31 -2.292 -4.043 4.573 260 HG23 VAL 31 HG23 VAL 31 -2.679 -5.163 3.266 261 H TYR 32 HN TYR 32 -0.351 -2.697 5.551 262 HA TYR 32 HA TYR 32 -1.385 -2.875 8.305 263 HB2 TYR 32 HB2 TYR 32 0.536 -0.732 7.363 264 HB3 TYR 32 HB1 TYR 32 -0.127 -0.911 8.983 265 HD1 TYR 32 HD2 TYR 32 2.211 -2.365 6.522 266 HD2 TYR 32 HD1 TYR 32 0.864 -2.408 10.557 267 HE1 TYR 32 HE2 TYR 32 4.152 -3.736 7.143 268 HE2 TYR 32 HE1 TYR 32 2.802 -3.776 11.194 269 HH TYR 32 HH TYR 32 4.399 -5.320 10.135 270 H HIS 33 HN HIS 33 -2.837 -1.212 8.932 271 HA HIS 33 HA HIS 33 -4.592 -0.224 6.932 272 HB2 HIS 33 HB2 HIS 33 -4.276 0.321 9.879 273 HB3 HIS 33 HB1 HIS 33 -5.445 1.211 8.920 274 HD2 HIS 33 HD2 HIS 33 -7.358 -0.704 7.589 275 HE1 HIS 33 HE1 HIS 33 -7.139 -3.276 10.968 276 HE2 HIS 33 HE2 HIS 33 -8.407 -2.692 8.870 277 H LEU 34 HN LEU 34 -5.180 2.192 6.764 278 HA LEU 34 HA LEU 34 -2.962 3.684 5.856 279 HB2 LEU 34 HB2 LEU 34 -5.838 4.327 6.383 280 HB3 LEU 34 HB1 LEU 34 -4.721 5.637 6.065 281 HG LEU 34 HG LEU 34 -4.928 3.337 4.149 282 HD11 LEU 34 HD11 LEU 34 -6.560 4.808 2.897 283 HD12 LEU 34 HD12 LEU 34 -6.776 5.693 4.406 284 HD13 LEU 34 HD13 LEU 34 -7.192 3.980 4.321 285 HD21 LEU 34 HD21 LEU 34 -4.240 6.258 3.818 286 HD22 LEU 34 HD22 LEU 34 -4.237 5.044 2.539 287 HD23 LEU 34 HD23 LEU 34 -3.086 4.924 3.869 288 H GLU 35 HN GLU 35 -4.953 4.023 8.779 289 HA GLU 35 HA GLU 35 -3.485 6.151 9.952 290 HB2 GLU 35 HB2 GLU 35 -5.399 4.127 11.111 291 HB3 GLU 35 HB1 GLU 35 -4.674 5.407 12.072 292 HG2 GLU 35 HG2 GLU 35 -5.700 7.081 10.612 293 HG3 GLU 35 HG1 GLU 35 -6.432 5.793 9.657 294 H CYS 36 HN CYS 36 -2.975 2.752 9.805 295 HA CYS 36 HA CYS 36 -1.176 2.625 12.074 296 HB2 CYS 36 HB2 CYS 36 -1.802 0.500 10.012 297 HB3 CYS 36 HB1 CYS 36 -1.043 0.257 11.584 298 H PHE 37 HN PHE 37 -0.850 3.766 9.006 299 HA PHE 37 HA PHE 37 1.876 2.784 8.568 300 HB2 PHE 37 HB2 PHE 37 0.034 2.984 6.748 301 HB3 PHE 37 HB1 PHE 37 0.365 4.709 6.796 302 HD1 PHE 37 HD2 PHE 37 1.657 1.421 5.854 303 HD2 PHE 37 HD1 PHE 37 2.415 5.606 5.911 304 HE1 PHE 37 HE2 PHE 37 3.503 1.102 4.255 305 HE2 PHE 37 HE1 PHE 37 4.270 5.300 4.320 306 HZ PHE 37 HZ PHE 37 4.814 3.044 3.489 307 H LYS 38 HN LYS 38 1.966 4.114 10.797 308 HA LYS 38 HA LYS 38 2.995 6.797 10.151 309 HB2 LYS 38 HB2 LYS 38 2.386 7.393 12.565 310 HB3 LYS 38 HB1 LYS 38 1.074 7.266 11.409 311 HG2 LYS 38 HG2 LYS 38 0.153 6.146 13.173 312 HG3 LYS 38 HG1 LYS 38 0.939 4.798 12.353 313 HD2 LYS 38 HD2 LYS 38 2.870 5.026 13.857 314 HD3 LYS 38 HD1 LYS 38 2.058 6.357 14.685 315 HE2 LYS 38 HE2 LYS 38 0.234 4.840 15.309 316 HE3 LYS 38 HE1 LYS 38 1.067 3.514 14.500 317 HZ1 LYS 38 HZ1 LYS 38 2.911 3.791 16.050 318 HZ2 LYS 38 HZ2 LYS 38 1.469 3.464 16.871 319 HZ3 LYS 38 HZ3 LYS 38 2.083 5.039 16.838 320 H CYS 39 HN CYS 39 4.670 7.632 11.566 321 HA CYS 39 HA CYS 39 6.821 5.831 11.935 322 HB2 CYS 39 HB2 CYS 39 6.894 8.364 11.475 323 HB3 CYS 39 HB1 CYS 39 6.655 8.553 13.207 324 H ALA 40 HN ALA 40 7.831 5.084 13.808 325 HA ALA 40 HA ALA 40 6.077 4.858 16.141 326 HB1 ALA 40 HB1 ALA 40 6.865 2.772 15.253 327 HB2 ALA 40 HB2 ALA 40 7.613 3.039 16.827 328 HB3 ALA 40 HB3 ALA 40 8.540 3.313 15.352 329 H ALA 41 HN ALA 41 8.699 6.714 15.145 330 HA ALA 41 HA ALA 41 9.787 7.024 17.846 331 HB1 ALA 41 HB1 ALA 41 11.382 6.635 16.026 332 HB2 ALA 41 HB2 ALA 41 11.640 8.196 16.806 333 HB3 ALA 41 HB3 ALA 41 10.834 8.116 15.239 334 H CYS 42 HN CYS 42 8.564 9.075 15.171 335 HA CYS 42 HA CYS 42 8.098 11.218 17.133 336 HB2 CYS 42 HB2 CYS 42 8.090 12.782 15.283 337 HB3 CYS 42 HB1 CYS 42 9.548 11.802 15.215 338 H GLN 43 HN GLN 43 6.467 8.798 15.564 339 HA GLN 43 HA GLN 43 4.306 8.198 15.321 340 HB2 GLN 43 HB2 GLN 43 3.892 10.583 17.108 341 HB3 GLN 43 HB1 GLN 43 2.548 9.605 16.542 342 HG2 GLN 43 HG2 GLN 43 4.883 8.404 17.996 343 HG3 GLN 43 HG1 GLN 43 3.505 9.097 18.850 344 HE21 GLN 43 HE21 GLN 43 4.619 6.517 16.811 345 HE22 GLN 43 HE22 GLN 43 3.246 5.488 17.011 346 H LYS 44 HN LYS 44 5.610 10.559 13.652 347 HA LYS 44 HA LYS 44 3.453 12.040 12.554 348 HB2 LYS 44 HB2 LYS 44 6.060 12.396 12.436 349 HB3 LYS 44 HB1 LYS 44 5.918 11.459 10.959 350 HG2 LYS 44 HG2 LYS 44 4.324 13.093 10.077 351 HG3 LYS 44 HG1 LYS 44 4.469 14.032 11.565 352 HD2 LYS 44 HD2 LYS 44 6.858 14.356 11.119 353 HD3 LYS 44 HD1 LYS 44 6.703 13.425 9.627 354 HE2 LYS 44 HE2 LYS 44 5.129 15.080 8.758 355 HE3 LYS 44 HE1 LYS 44 5.268 16.005 10.253 356 HZ1 LYS 44 HZ1 LYS 44 7.476 15.458 8.342 357 HZ2 LYS 44 HZ2 LYS 44 7.616 16.340 9.778 358 HZ3 LYS 44 HZ3 LYS 44 6.659 16.930 8.514 359 H HIS 45 HN HIS 45 2.721 11.925 10.288 360 HA HIS 45 HA HIS 45 2.223 9.135 9.508 361 HB2 HIS 45 HB2 HIS 45 0.712 11.684 8.908 362 HB3 HIS 45 HB1 HIS 45 0.347 10.144 8.139 363 HD1 HIS 45 HD1 HIS 45 -1.113 8.542 9.413 364 HD2 HIS 45 HD2 HIS 45 0.204 11.715 11.751 365 HE1 HIS 45 HE1 HIS 45 -2.389 8.361 11.573 366 HE2 HIS 45 HE2 HIS 45 -1.511 10.239 13.004 367 H PHE 46 HN PHE 46 2.469 8.445 7.390 368 HA PHE 46 HA PHE 46 4.366 10.027 5.809 369 HB2 PHE 46 HB2 PHE 46 3.657 7.093 5.703 370 HB3 PHE 46 HB1 PHE 46 4.769 7.872 4.596 371 HD1 PHE 46 HD1 PHE 46 4.238 7.418 8.270 372 HD2 PHE 46 HD2 PHE 46 7.015 7.772 5.065 373 HE1 PHE 46 HE1 PHE 46 6.076 6.982 9.829 374 HE2 PHE 46 HE2 PHE 46 8.866 7.341 6.625 375 HZ PHE 46 HZ PHE 46 8.398 6.945 9.013 376 H SER 47 HN SER 47 4.049 10.491 3.684 377 HA SER 47 HA SER 47 1.344 10.053 2.605 378 HB2 SER 47 HB2 SER 47 1.618 12.271 1.454 379 HB3 SER 47 HB1 SER 47 1.543 12.379 3.212 380 HG SER 47 HG SER 47 3.304 13.531 1.902 381 H VAL 48 HN VAL 48 1.207 10.150 0.217 382 HA VAL 48 HA VAL 48 3.078 8.415 -1.005 383 HB VAL 48 HB VAL 48 1.859 9.019 -3.170 384 HG11 VAL 48 HG11 VAL 48 -0.128 7.727 -2.537 385 HG12 VAL 48 HG12 VAL 48 0.284 7.945 -0.835 386 HG13 VAL 48 HG13 VAL 48 1.357 7.026 -1.891 387 HG21 VAL 48 HG21 VAL 48 1.000 11.220 -2.537 388 HG22 VAL 48 HG22 VAL 48 0.039 10.488 -1.252 389 HG23 VAL 48 HG23 VAL 48 -0.323 10.124 -2.939 390 H GLY 49 HN GLY 49 4.861 8.744 -2.173 391 HA2 GLY 49 HA2 GLY 49 6.121 10.012 -3.806 392 HA3 GLY 49 HA1 GLY 49 5.472 11.480 -3.095 393 H ASP 50 HN ASP 50 6.040 9.991 -0.392 394 HA ASP 50 HA ASP 50 8.795 10.975 -0.168 395 HB2 ASP 50 HB2 ASP 50 6.658 10.448 1.901 396 HB3 ASP 50 HB1 ASP 50 8.325 10.824 2.322 397 H ARG 51 HN ARG 51 10.418 9.756 0.848 398 HA ARG 51 HA ARG 51 10.177 6.892 0.464 399 HB2 ARG 51 HB2 ARG 51 12.528 8.632 1.224 400 HB3 ARG 51 HB1 ARG 51 12.624 6.891 1.007 401 HG2 ARG 51 HG2 ARG 51 11.755 7.277 -1.341 402 HG3 ARG 51 HG1 ARG 51 12.061 8.991 -1.063 403 HD2 ARG 51 HD2 ARG 51 14.408 8.512 -0.612 404 HD3 ARG 51 HD1 ARG 51 14.112 6.790 -0.851 405 HE ARG 51 HE ARG 51 13.345 8.360 -3.116 406 HH11 ARG 51 HH11 ARG 51 16.111 6.838 -1.575 407 HH12 ARG 51 HH12 ARG 51 17.008 6.712 -3.051 408 HH21 ARG 51 HH21 ARG 51 14.538 8.184 -5.036 409 HH22 ARG 51 HH22 ARG 51 16.118 7.475 -5.007 410 H TYR 52 HN TYR 52 10.171 5.346 2.015 411 HA TYR 52 HA TYR 52 10.428 6.202 4.816 412 HB2 TYR 52 HB2 TYR 52 8.529 4.926 5.485 413 HB3 TYR 52 HB1 TYR 52 8.024 5.914 4.126 414 HD1 TYR 52 HD1 TYR 52 7.795 4.807 1.848 415 HD2 TYR 52 HD2 TYR 52 8.299 2.569 5.439 416 HE1 TYR 52 HE1 TYR 52 6.925 2.802 0.720 417 HE2 TYR 52 HE2 TYR 52 7.428 0.567 4.321 418 HH TYR 52 HH TYR 52 7.038 0.361 0.955 419 H LEU 53 HN LEU 53 11.017 4.565 6.317 420 HA LEU 53 HA LEU 53 12.411 2.271 5.108 421 HB2 LEU 53 HB2 LEU 53 13.898 4.099 6.013 422 HB3 LEU 53 HB1 LEU 53 13.247 3.757 7.603 423 HG LEU 53 HG LEU 53 14.352 1.407 6.224 424 HD11 LEU 53 HD11 LEU 53 16.052 3.789 6.882 425 HD12 LEU 53 HD12 LEU 53 16.017 2.838 5.398 426 HD13 LEU 53 HD13 LEU 53 16.699 2.149 6.871 427 HD21 LEU 53 HD21 LEU 53 15.228 0.943 8.410 428 HD22 LEU 53 HD22 LEU 53 13.556 1.486 8.579 429 HD23 LEU 53 HD23 LEU 53 14.883 2.588 8.944 430 H LEU 54 HN LEU 54 11.610 0.383 5.703 431 HA LEU 54 HA LEU 54 9.719 0.221 7.894 432 HB2 LEU 54 HB2 LEU 54 9.490 -0.860 5.559 433 HB3 LEU 54 HB1 LEU 54 10.594 -2.078 6.165 434 HG LEU 54 HG LEU 54 8.197 -1.526 7.829 435 HD11 LEU 54 HD11 LEU 54 7.237 -1.486 5.599 436 HD12 LEU 54 HD12 LEU 54 6.791 -2.971 6.441 437 HD13 LEU 54 HD13 LEU 54 8.049 -3.001 5.204 438 HD21 LEU 54 HD21 LEU 54 9.593 -4.053 6.946 439 HD22 LEU 54 HD22 LEU 54 8.289 -3.948 8.130 440 HD23 LEU 54 HD23 LEU 54 9.853 -3.207 8.472 441 H ILE 55 HN ILE 55 10.356 -0.149 9.871 442 HA ILE 55 HA ILE 55 12.878 -1.512 10.388 443 HB ILE 55 HB ILE 55 11.967 0.705 11.539 444 HG12 ILE 55 HG12 ILE 55 13.356 -0.127 13.645 445 HG13 ILE 55 HG11 ILE 55 13.731 -1.464 12.565 446 HG21 ILE 55 HG21 ILE 55 11.081 -1.351 13.550 447 HG22 ILE 55 HG22 ILE 55 9.981 -0.412 12.539 448 HG23 ILE 55 HG23 ILE 55 11.017 0.406 13.710 449 HD11 ILE 55 HD11 ILE 55 14.216 1.449 11.975 450 HD12 ILE 55 HD12 ILE 55 14.636 0.090 10.932 451 HD13 ILE 55 HD13 ILE 55 15.432 0.282 12.493 452 H ASN 56 HN ASN 56 12.751 -2.905 12.549 453 HA ASN 56 HA ASN 56 11.714 -5.369 11.971 454 HB2 ASN 56 HB2 ASN 56 12.120 -4.254 14.751 455 HB3 ASN 56 HB1 ASN 56 12.082 -5.955 14.308 456 HD21 ASN 56 HD21 ASN 56 13.866 -2.974 14.086 457 HD22 ASN 56 HD22 ASN 56 15.387 -3.676 13.674 458 H SER 57 HN SER 57 10.029 -2.772 13.685 459 HA SER 57 HA SER 57 7.685 -4.529 13.937 460 HB2 SER 57 HB2 SER 57 8.381 -2.057 15.536 461 HB3 SER 57 HB1 SER 57 6.912 -3.012 15.733 462 HG SER 57 HG SER 57 8.030 -4.577 16.666 463 H ASP 58 HN ASP 58 8.178 -0.974 13.662 464 HA ASP 58 HA ASP 58 5.989 -0.941 11.684 465 HB2 ASP 58 HB2 ASP 58 6.591 0.957 13.946 466 HB3 ASP 58 HB1 ASP 58 5.554 1.418 12.601 467 H ILE 59 HN ILE 59 6.142 1.749 10.951 468 HA ILE 59 HA ILE 59 8.572 1.757 9.321 469 HB ILE 59 HB ILE 59 6.093 3.495 9.108 470 HG12 ILE 59 HG12 ILE 59 6.061 2.035 6.850 471 HG13 ILE 59 HG11 ILE 59 6.830 0.874 7.927 472 HG21 ILE 59 HG21 ILE 59 8.569 3.342 7.431 473 HG22 ILE 59 HG22 ILE 59 7.770 4.761 8.105 474 HG23 ILE 59 HG23 ILE 59 7.033 3.892 6.760 475 HD11 ILE 59 HD11 ILE 59 4.954 0.912 9.406 476 HD12 ILE 59 HD12 ILE 59 4.371 0.643 7.762 477 HD13 ILE 59 HD13 ILE 59 4.210 2.235 8.507 478 H VAL 60 HN VAL 60 10.158 3.256 9.488 479 HA VAL 60 HA VAL 60 9.817 5.414 11.475 480 HB VAL 60 HB VAL 60 12.444 4.012 10.898 481 HG11 VAL 60 HG11 VAL 60 13.205 5.099 12.962 482 HG12 VAL 60 HG12 VAL 60 11.638 5.892 13.121 483 HG13 VAL 60 HG13 VAL 60 12.689 6.283 11.760 484 HG21 VAL 60 HG21 VAL 60 10.676 2.545 11.988 485 HG22 VAL 60 HG22 VAL 60 10.791 3.620 13.381 486 HG23 VAL 60 HG23 VAL 60 12.206 2.710 12.849 487 H CYS 61 HN CYS 61 9.965 7.382 10.648 488 HA CYS 61 HA CYS 61 10.619 7.951 7.967 489 HB2 CYS 61 HB2 CYS 61 10.165 10.211 8.489 490 HB3 CYS 61 HB1 CYS 61 9.107 9.270 9.533 491 H GLU 62 HN GLU 62 12.278 9.441 7.178 492 HA GLU 62 HA GLU 62 14.898 8.641 7.828 493 HB2 GLU 62 HB2 GLU 62 13.818 10.898 6.154 494 HB3 GLU 62 HB1 GLU 62 15.544 10.624 6.347 495 HG2 GLU 62 HG2 GLU 62 15.290 8.381 5.406 496 HG3 GLU 62 HG1 GLU 62 13.562 8.667 5.203 497 H GLN 63 HN GLN 63 12.891 11.053 9.211 498 HA GLN 63 HA GLN 63 14.863 12.864 10.155 499 HB2 GLN 63 HB2 GLN 63 12.220 13.020 10.028 500 HB3 GLN 63 HB1 GLN 63 12.336 12.445 11.684 501 HG2 GLN 63 HG2 GLN 63 13.762 14.347 12.248 502 HG3 GLN 63 HG1 GLN 63 13.648 14.923 10.586 503 HE21 GLN 63 HE21 GLN 63 11.974 14.502 13.600 504 HE22 GLN 63 HE22 GLN 63 10.629 15.523 13.231 505 H ASP 64 HN ASP 64 13.323 10.024 11.661 506 HA ASP 64 HA ASP 64 15.263 10.193 13.877 507 HB2 ASP 64 HB2 ASP 64 12.925 8.379 14.142 508 HB3 ASP 64 HB1 ASP 64 13.707 9.383 15.352 509 H ILE 65 HN ILE 65 15.314 8.759 11.069 510 HA ILE 65 HA ILE 65 15.361 5.986 11.475 511 HB ILE 65 HB ILE 65 15.250 6.861 9.241 512 HG12 ILE 65 HG12 ILE 65 17.474 5.027 9.975 513 HG13 ILE 65 HG11 ILE 65 16.052 4.725 8.993 514 HG21 ILE 65 HG21 ILE 65 16.542 8.895 9.476 515 HG22 ILE 65 HG22 ILE 65 17.140 7.955 8.109 516 HG23 ILE 65 HG23 ILE 65 18.033 7.963 9.629 517 HD11 ILE 65 HD11 ILE 65 18.074 4.521 7.681 518 HD12 ILE 65 HD12 ILE 65 18.552 6.160 8.126 519 HD13 ILE 65 HD13 ILE 65 17.122 5.900 7.121 520 H TYR 66 HN TYR 66 18.148 8.220 11.428 521 HA TYR 66 HA TYR 66 20.153 6.366 11.966 522 HB2 TYR 66 HB2 TYR 66 20.533 8.660 11.133 523 HB3 TYR 66 HB1 TYR 66 20.082 9.303 12.705 524 HD1 TYR 66 HD1 TYR 66 21.580 9.072 14.618 525 HD2 TYR 66 HD2 TYR 66 22.696 7.637 10.770 526 HE1 TYR 66 HE1 TYR 66 23.902 8.911 15.368 527 HE2 TYR 66 HE2 TYR 66 25.039 7.473 11.511 528 HH TYR 66 HH TYR 66 25.956 7.690 14.775 529 H GLU 67 HN GLU 67 18.474 8.501 14.294 530 HA GLU 67 HA GLU 67 19.788 7.570 16.600 531 HB2 GLU 67 HB2 GLU 67 17.187 9.018 16.173 532 HB3 GLU 67 HB1 GLU 67 17.729 8.560 17.781 533 HG2 GLU 67 HG2 GLU 67 19.768 9.868 17.467 534 HG3 GLU 67 HG1 GLU 67 19.224 10.325 15.853 535 H TRP 68 HN TRP 68 16.733 6.520 15.098 536 HA TRP 68 HA TRP 68 15.907 4.768 17.161 537 HB2 TRP 68 HB2 TRP 68 14.397 5.637 15.400 538 HB3 TRP 68 HB1 TRP 68 15.236 4.653 14.208 539 HD1 TRP 68 HD1 TRP 68 14.726 2.053 14.176 540 HE1 TRP 68 HE1 TRP 68 12.824 0.638 15.182 541 HE3 TRP 68 HE3 TRP 68 12.818 5.467 17.483 542 HZ2 TRP 68 HZ2 TRP 68 10.793 0.926 17.117 543 HZ3 TRP 68 HZ3 TRP 68 10.900 4.812 18.872 544 HH2 TRP 68 HH2 TRP 68 9.907 2.589 18.692 545 H THR 69 HN THR 69 17.603 4.099 14.093 546 HA THR 69 HA THR 69 17.938 1.322 14.452 547 HB THR 69 HB THR 69 19.845 1.579 12.794 548 HG1 THR 69 HG1 THR 69 20.571 3.543 12.559 549 HG21 THR 69 HG21 THR 69 18.355 2.151 10.915 550 HG22 THR 69 HG22 THR 69 17.156 2.746 12.064 551 HG23 THR 69 HG23 THR 69 17.594 1.037 12.051 552 H LYS 70 HN LYS 70 19.688 4.058 15.615 553 HA LYS 70 HA LYS 70 22.149 2.871 16.311 554 HB2 LYS 70 HB2 LYS 70 21.353 5.365 16.139 555 HB3 LYS 70 HB1 LYS 70 20.977 5.159 17.841 556 HG2 LYS 70 HG2 LYS 70 23.224 4.812 18.408 557 HG3 LYS 70 HG1 LYS 70 23.691 4.543 16.727 558 HD2 LYS 70 HD2 LYS 70 23.123 6.891 16.223 559 HD3 LYS 70 HD1 LYS 70 22.733 7.144 17.924 560 HE2 LYS 70 HE2 LYS 70 24.929 7.980 17.571 561 HE3 LYS 70 HE1 LYS 70 25.085 6.469 18.466 562 HZ1 LYS 70 HZ1 LYS 70 26.709 6.630 16.679 563 HZ2 LYS 70 HZ2 LYS 70 25.473 6.784 15.536 564 HZ3 LYS 70 HZ3 LYS 70 25.645 5.344 16.403 565 H ILE 71 HN ILE 71 19.118 3.224 18.123 566 HA ILE 71 HA ILE 71 20.272 2.201 20.565 567 HB ILE 71 HB ILE 71 17.418 2.930 19.943 568 HG12 ILE 71 HG12 ILE 71 18.926 4.478 21.905 569 HG13 ILE 71 HG11 ILE 71 19.637 4.517 20.296 570 HG21 ILE 71 HG21 ILE 71 17.041 2.865 22.373 571 HG22 ILE 71 HG22 ILE 71 18.675 2.244 22.608 572 HG23 ILE 71 HG23 ILE 71 17.479 1.274 21.749 573 HD11 ILE 71 HD11 ILE 71 17.525 5.261 19.382 574 HD12 ILE 71 HD12 ILE 71 18.121 6.362 20.623 575 HD13 ILE 71 HD13 ILE 71 16.813 5.237 20.993 576 H ASN 72 HN ASN 72 17.833 1.016 18.244 577 HA ASN 72 HA ASN 72 17.776 -1.555 19.629 578 HB2 ASN 72 HB2 ASN 72 15.942 -2.106 17.936 579 HB3 ASN 72 HB1 ASN 72 15.591 -0.878 19.142 580 HD21 ASN 72 HD21 ASN 72 14.899 1.043 18.478 581 HD22 ASN 72 HD22 ASN 72 14.867 1.584 16.838 582 H GLY 73 HN GLY 73 18.963 -0.235 16.612 583 HA2 GLY 73 HA2 GLY 73 20.928 -1.580 15.782 584 HA3 GLY 73 HA1 GLY 73 19.835 -2.954 15.836 585 H GLY 74 HN GLY 74 21.293 -1.996 13.563 586 HA2 GLY 74 HA2 GLY 74 19.024 -1.473 11.761 587 HA3 GLY 74 HA1 GLY 74 20.474 -0.489 11.636 588 H SER 75 HN SER 75 22.513 -2.196 11.822 589 HA SER 75 HA SER 75 23.842 -3.637 10.691 590 HB2 SER 75 HB2 SER 75 21.273 -5.164 10.198 591 HB3 SER 75 HB1 SER 75 22.896 -5.787 9.898 592 HG SER 75 HG SER 75 23.148 -6.116 11.966 593 H GLY 76 HN GLY 76 24.846 -3.367 8.833 594 HA2 GLY 76 HA2 GLY 76 23.290 -3.084 6.356 595 HA3 GLY 76 HA1 GLY 76 24.414 -1.807 6.795 596 H GLY 77 HN GLY 77 26.086 -1.932 5.456 597 HA2 GLY 77 HA2 GLY 77 28.212 -3.453 5.467 598 HA3 GLY 77 HA1 GLY 77 27.116 -4.560 4.654 599 H SER 78 HN SER 78 26.580 -4.235 2.531 600 HA SER 78 HA SER 78 28.220 -2.274 1.097 601 HB2 SER 78 HB2 SER 78 26.708 -4.692 0.076 602 HB3 SER 78 HB1 SER 78 27.727 -3.639 -0.904 603 HG SER 78 HG SER 78 29.339 -4.249 0.907 604 H GLY 79 HN GLY 79 27.386 -0.724 -0.219 605 HA2 GLY 79 HA2 GLY 79 25.626 0.223 -1.559 606 HA3 GLY 79 HA1 GLY 79 24.459 -0.571 -0.514 607 H GLY 80 HN GLY 80 23.572 0.558 1.094 608 HA2 GLY 80 HA2 GLY 80 24.609 3.270 1.587 609 HA3 GLY 80 HA1 GLY 80 22.952 2.750 1.855 610 H SER 81 HN SER 81 22.455 2.721 3.925 611 HA SER 81 HA SER 81 24.537 2.185 5.916 612 HB2 SER 81 HB2 SER 81 22.854 3.093 7.543 613 HB3 SER 81 HB1 SER 81 23.345 4.241 6.299 614 HG SER 81 HG SER 81 21.027 2.627 6.080 615 H GLY 82 HN GLY 82 21.298 1.109 4.946 616 HA2 GLY 82 HA2 GLY 82 21.726 -1.348 6.534 617 HA3 GLY 82 HA1 GLY 82 20.160 -0.555 6.450 618 H GLY 83 HN GLY 83 19.472 -0.138 4.047 619 HA2 GLY 83 HA2 GLY 83 20.280 -2.200 2.185 620 HA3 GLY 83 HA1 GLY 83 18.672 -2.425 2.856 621 H ASP 84 HN ASP 84 17.405 -2.030 1.136 622 HA ASP 84 HA ASP 84 17.819 0.435 -0.406 623 HB2 ASP 84 HB2 ASP 84 16.212 -2.060 -0.974 624 HB3 ASP 84 HB1 ASP 84 16.105 -0.608 -1.963 625 H VAL 85 HN VAL 85 16.314 2.029 -0.527 626 HA VAL 85 HA VAL 85 14.105 1.897 1.409 627 HB VAL 85 HB VAL 85 15.021 4.429 0.038 628 HG11 VAL 85 HG11 VAL 85 14.138 5.490 2.088 629 HG12 VAL 85 HG12 VAL 85 13.636 3.903 2.668 630 HG13 VAL 85 HG13 VAL 85 12.910 4.578 1.209 631 HG21 VAL 85 HG21 VAL 85 16.474 4.906 1.956 632 HG22 VAL 85 HG22 VAL 85 17.018 3.482 1.069 633 HG23 VAL 85 HG23 VAL 85 16.156 3.294 2.596 634 H MET 86 HN MET 86 12.005 2.207 0.817 635 HA MET 86 HA MET 86 11.445 2.465 -2.068 636 HB2 MET 86 HB2 MET 86 10.121 0.730 0.011 637 HB3 MET 86 HB1 MET 86 9.345 1.111 -1.518 638 HG2 MET 86 HG2 MET 86 11.204 0.084 -2.722 639 HG3 MET 86 HG1 MET 86 11.989 -0.291 -1.190 640 HE1 MET 86 HE1 MET 86 8.339 -0.651 -2.754 641 HE2 MET 86 HE2 MET 86 8.329 -2.396 -3.011 642 HE3 MET 86 HE3 MET 86 9.488 -1.384 -3.874 643 H VAL 87 HN VAL 87 9.592 3.600 -2.695 644 HA VAL 87 HA VAL 87 8.757 5.680 -0.842 645 HB VAL 87 HB VAL 87 7.661 5.601 -3.610 646 HG11 VAL 87 HG11 VAL 87 8.837 7.779 -1.901 647 HG12 VAL 87 HG12 VAL 87 7.124 7.431 -2.123 648 HG13 VAL 87 HG13 VAL 87 8.090 8.010 -3.480 649 HG21 VAL 87 HG21 VAL 87 9.698 6.577 -4.582 650 HG22 VAL 87 HG22 VAL 87 9.960 4.919 -4.041 651 HG23 VAL 87 HG23 VAL 87 10.559 6.266 -3.074 652 H VAL 88 HN VAL 88 6.604 6.097 -0.261 653 HA VAL 88 HA VAL 88 4.913 3.847 0.070 654 HB VAL 88 HB VAL 88 3.915 6.689 0.283 655 HG11 VAL 88 HG11 VAL 88 3.262 4.179 1.825 656 HG12 VAL 88 HG12 VAL 88 2.251 4.958 0.609 657 HG13 VAL 88 HG13 VAL 88 2.579 5.776 2.136 658 HG21 VAL 88 HG21 VAL 88 4.743 6.790 2.577 659 HG22 VAL 88 HG22 VAL 88 6.073 6.637 1.429 660 HG23 VAL 88 HG23 VAL 88 5.549 5.237 2.363 661 H GLY 89 HN GLY 89 3.925 2.853 -1.549 662 HA2 GLY 89 HA2 GLY 89 3.205 4.033 -4.030 663 HA3 GLY 89 HA1 GLY 89 2.727 2.441 -3.474 664 H GLU 90 HN GLU 90 1.033 4.030 -4.981 665 HA GLU 90 HA GLU 90 -0.792 5.581 -3.479 666 HB2 GLU 90 HB2 GLU 90 -0.994 4.213 -6.155 667 HB3 GLU 90 HB1 GLU 90 -2.331 5.134 -5.481 668 HG2 GLU 90 HG2 GLU 90 -0.925 7.129 -5.411 669 HG3 GLU 90 HG1 GLU 90 0.419 6.205 -6.081 670 HA PRO 91 HA PRO 91 -3.353 2.408 -1.621 671 HB2 PRO 91 HB2 PRO 91 -5.800 3.935 -1.833 672 HB3 PRO 91 HB1 PRO 91 -4.796 3.664 -0.410 673 HG2 PRO 91 HG2 PRO 91 -5.070 6.100 -1.618 674 HG3 PRO 91 HG1 PRO 91 -3.634 5.616 -0.698 675 HD2 PRO 91 HD2 PRO 91 -4.061 5.658 -3.665 676 HD3 PRO 91 HD1 PRO 91 -2.637 6.145 -2.720 677 H THR 92 HN THR 92 -4.501 0.649 -2.213 678 HA THR 92 HA THR 92 -5.969 0.752 -4.770 679 HB THR 92 HB THR 92 -5.396 -1.723 -4.966 680 HG1 THR 92 HG1 THR 92 -3.094 -1.669 -3.668 681 HG21 THR 92 HG21 THR 92 -4.326 -0.030 -6.367 682 HG22 THR 92 HG22 THR 92 -3.177 -1.291 -5.922 683 HG23 THR 92 HG23 THR 92 -3.130 0.272 -5.106 684 H LEU 93 HN LEU 93 -8.065 0.646 -4.390 685 HA LEU 93 HA LEU 93 -9.253 -0.375 -2.036 686 HB2 LEU 93 HB2 LEU 93 -11.412 -0.118 -3.306 687 HB3 LEU 93 HB1 LEU 93 -10.435 1.326 -3.152 688 HG LEU 93 HG LEU 93 -9.585 0.476 -5.568 689 HD11 LEU 93 HD11 LEU 93 -12.462 -0.407 -5.388 690 HD12 LEU 93 HD12 LEU 93 -11.063 -1.462 -5.598 691 HD13 LEU 93 HD13 LEU 93 -11.499 -0.311 -6.862 692 HD21 LEU 93 HD21 LEU 93 -10.406 2.703 -5.048 693 HD22 LEU 93 HD22 LEU 93 -12.064 2.102 -5.017 694 HD23 LEU 93 HD23 LEU 93 -11.154 2.099 -6.527 695 H MET 94 HN MET 94 -9.952 -2.308 -1.466 696 HA MET 94 HA MET 94 -10.025 -4.591 -1.396 697 HB2 MET 94 HB2 MET 94 -11.838 -3.891 -3.695 698 HB3 MET 94 HB1 MET 94 -11.720 -5.526 -3.060 699 HG2 MET 94 HG2 MET 94 -12.427 -4.725 -0.864 700 HG3 MET 94 HG1 MET 94 -12.547 -3.086 -1.501 701 HE1 MET 94 HE1 MET 94 -16.298 -4.093 -0.978 702 HE2 MET 94 HE2 MET 94 -15.041 -2.914 -0.604 703 HE3 MET 94 HE3 MET 94 -14.929 -4.554 0.035 704 H GLY 95 HN GLY 95 -8.185 -5.652 -1.721 705 HA2 GLY 95 HA2 GLY 95 -7.065 -7.372 -2.927 706 HA3 GLY 95 HA1 GLY 95 -7.645 -6.659 -4.426 707 H GLY 96 HN GLY 96 -5.610 -6.609 -5.370 708 HA2 GLY 96 HA2 GLY 96 -4.017 -4.299 -4.690 709 HA3 GLY 96 HA1 GLY 96 -3.195 -5.828 -4.420 710 H GLU 97 HN GLU 97 -2.098 -6.666 -6.058 711 HA GLU 97 HA GLU 97 -2.437 -5.493 -8.725 712 HB2 GLU 97 HB2 GLU 97 -0.168 -7.010 -7.438 713 HB3 GLU 97 HB1 GLU 97 -0.211 -6.667 -9.160 714 HG2 GLU 97 HG2 GLU 97 -0.447 -4.472 -7.132 715 HG3 GLU 97 HG1 GLU 97 1.123 -5.101 -7.630 716 H PHE 98 HN PHE 98 -2.578 -6.773 -10.586 717 HA PHE 98 HA PHE 98 -3.763 -9.416 -10.129 718 HB2 PHE 98 HB2 PHE 98 -3.910 -7.511 -12.467 719 HB3 PHE 98 HB1 PHE 98 -4.536 -9.154 -12.532 720 HD1 PHE 98 HD1 PHE 98 -6.523 -9.780 -11.299 721 HD2 PHE 98 HD2 PHE 98 -5.004 -5.806 -11.148 722 HE1 PHE 98 HE1 PHE 98 -8.650 -9.007 -10.335 723 HE2 PHE 98 HE2 PHE 98 -7.128 -5.027 -10.182 724 HZ PHE 98 HZ PHE 98 -8.954 -6.628 -9.774 725 H GLY 99 HN GLY 99 -1.297 -7.791 -12.106 726 HA2 GLY 99 HA2 GLY 99 0.541 -9.877 -12.074 727 HA3 GLY 99 HA1 GLY 99 -0.443 -10.103 -13.512 728 H ASP 100 HN ASP 100 1.552 -7.715 -11.815 729 HA ASP 100 HA ASP 100 2.434 -6.691 -14.430 730 HB2 ASP 100 HB2 ASP 100 1.698 -5.103 -11.968 731 HB3 ASP 100 HB1 ASP 100 2.644 -4.425 -13.289 732 H GLU 101 HN GLU 101 3.446 -8.505 -12.083 733 HA GLU 101 HA GLU 101 5.947 -7.198 -11.381 734 HB2 GLU 101 HB2 GLU 101 4.701 -9.828 -10.609 735 HB3 GLU 101 HB1 GLU 101 6.351 -9.414 -10.166 736 HG2 GLU 101 HG2 GLU 101 5.534 -7.451 -8.958 737 HG3 GLU 101 HG1 GLU 101 3.880 -7.874 -9.398 738 H ASP 102 HN ASP 102 4.791 -9.539 -13.664 739 HA ASP 102 HA ASP 102 7.407 -10.627 -14.271 740 HB2 ASP 102 HB2 ASP 102 4.675 -11.051 -15.479 741 HB3 ASP 102 HB1 ASP 102 6.130 -11.801 -16.126 742 H GLU 103 HN GLU 103 5.429 -8.025 -15.389 743 HA GLU 103 HA GLU 103 6.779 -7.768 -17.949 744 HB2 GLU 103 HB2 GLU 103 4.610 -6.182 -16.587 745 HB3 GLU 103 HB1 GLU 103 5.356 -5.647 -18.085 746 HG2 GLU 103 HG2 GLU 103 4.632 -7.707 -19.183 747 HG3 GLU 103 HG1 GLU 103 3.885 -8.244 -17.679 748 H ARG 104 HN ARG 104 6.753 -6.168 -14.807 749 HA ARG 104 HA ARG 104 8.708 -4.186 -15.687 750 HB2 ARG 104 HB2 ARG 104 7.111 -4.536 -13.155 751 HB3 ARG 104 HB1 ARG 104 8.420 -3.369 -13.273 752 HG2 ARG 104 HG2 ARG 104 7.262 -2.266 -15.129 753 HG3 ARG 104 HG1 ARG 104 5.941 -3.426 -14.984 754 HD2 ARG 104 HD2 ARG 104 5.515 -2.659 -12.704 755 HD3 ARG 104 HD1 ARG 104 6.844 -1.508 -12.838 756 HE ARG 104 HE ARG 104 5.017 -1.069 -14.932 757 HH11 ARG 104 HH11 ARG 104 5.237 -0.635 -11.453 758 HH12 ARG 104 HH12 ARG 104 4.135 0.701 -11.435 759 HH21 ARG 104 HH21 ARG 104 3.577 0.681 -14.883 760 HH22 ARG 104 HH22 ARG 104 3.196 1.444 -13.375 761 H LEU 105 HN LEU 105 9.120 -7.234 -15.077 762 HA LEU 105 HA LEU 105 11.183 -7.112 -13.025 763 HB2 LEU 105 HB2 LEU 105 9.429 -9.007 -13.413 764 HB3 LEU 105 HB1 LEU 105 10.541 -9.550 -14.653 765 HG LEU 105 HG LEU 105 11.648 -9.087 -11.925 766 HD11 LEU 105 HD11 LEU 105 10.968 -11.333 -11.220 767 HD12 LEU 105 HD12 LEU 105 9.968 -11.478 -12.666 768 HD13 LEU 105 HD13 LEU 105 9.582 -10.267 -11.442 769 HD21 LEU 105 HD21 LEU 105 13.014 -11.022 -12.534 770 HD22 LEU 105 HD22 LEU 105 13.105 -9.762 -13.766 771 HD23 LEU 105 HD23 LEU 105 12.108 -11.191 -14.039 772 H ILE 106 HN ILE 106 10.916 -7.796 -16.505 773 HA ILE 106 HA ILE 106 13.838 -7.813 -16.717 774 HB ILE 106 HB ILE 106 13.393 -8.537 -19.129 775 HG12 ILE 106 HG12 ILE 106 11.008 -9.929 -18.842 776 HG13 ILE 106 HG11 ILE 106 10.635 -8.350 -18.159 777 HG21 ILE 106 HG21 ILE 106 14.236 -10.039 -17.438 778 HG22 ILE 106 HG22 ILE 106 13.079 -10.879 -18.471 779 HG23 ILE 106 HG23 ILE 106 12.598 -10.349 -16.859 780 HD11 ILE 106 HD11 ILE 106 11.745 -8.867 -20.908 781 HD12 ILE 106 HD12 ILE 106 11.370 -7.284 -20.226 782 HD13 ILE 106 HD13 ILE 106 10.077 -8.447 -20.517 783 H THR 107 HN THR 107 14.720 -5.902 -16.990 784 HA THR 107 HA THR 107 13.779 -4.162 -19.142 785 HB THR 107 HB THR 107 14.157 -2.143 -17.616 786 HG1 THR 107 HG1 THR 107 13.745 -4.134 -15.616 787 HG21 THR 107 HG21 THR 107 11.785 -3.934 -17.070 788 HG22 THR 107 HG22 THR 107 11.934 -2.788 -18.401 789 HG23 THR 107 HG23 THR 107 11.864 -2.203 -16.739 790 H ARG 108 HN ARG 108 15.358 -2.703 -19.923 791 HA ARG 108 HA ARG 108 18.108 -3.529 -19.318 792 HB2 ARG 108 HB2 ARG 108 16.857 -2.191 -21.713 793 HB3 ARG 108 HB1 ARG 108 18.599 -2.255 -21.488 794 HG2 ARG 108 HG2 ARG 108 18.495 -4.706 -21.454 795 HG3 ARG 108 HG1 ARG 108 16.751 -4.624 -21.714 796 HD2 ARG 108 HD2 ARG 108 17.120 -3.487 -23.845 797 HD3 ARG 108 HD1 ARG 108 18.863 -3.547 -23.581 798 HE ARG 108 HE ARG 108 17.774 -6.150 -23.447 799 HH11 ARG 108 HH11 ARG 108 18.542 -3.668 -25.811 800 HH12 ARG 108 HH12 ARG 108 18.767 -4.804 -27.099 801 HH21 ARG 108 HH21 ARG 108 18.075 -7.617 -25.146 802 HH22 ARG 108 HH22 ARG 108 18.502 -7.037 -26.722 803 H LEU 109 HN LEU 109 19.499 -2.219 -18.342 804 HA LEU 109 HA LEU 109 18.797 0.631 -18.054 805 HB2 LEU 109 HB2 LEU 109 20.103 -1.219 -16.058 806 HB3 LEU 109 HB1 LEU 109 20.036 0.520 -15.866 807 HG LEU 109 HG LEU 109 17.473 -0.968 -16.250 808 HD11 LEU 109 HD11 LEU 109 17.327 -1.358 -13.835 809 HD12 LEU 109 HD12 LEU 109 18.997 -0.821 -13.652 810 HD13 LEU 109 HD13 LEU 109 18.636 -2.282 -14.571 811 HD21 LEU 109 HD21 LEU 109 17.460 1.474 -16.178 812 HD22 LEU 109 HD22 LEU 109 18.264 1.440 -14.608 813 HD23 LEU 109 HD23 LEU 109 16.630 0.797 -14.777 814 H GLU 110 HN GLU 110 20.493 2.138 -18.013 815 HA GLU 110 HA GLU 110 22.902 1.247 -19.430 816 HB2 GLU 110 HB2 GLU 110 21.601 3.948 -19.101 817 HB3 GLU 110 HB1 GLU 110 23.219 3.764 -19.762 818 HG2 GLU 110 HG2 GLU 110 22.330 2.381 -21.566 819 HG3 GLU 110 HG1 GLU 110 20.707 2.556 -20.901 820 H ASN 111 HN ASN 111 24.986 1.939 -18.792 821 HA ASN 111 HA ASN 111 25.256 2.287 -15.898 822 HB2 ASN 111 HB2 ASN 111 26.464 0.477 -17.367 823 HB3 ASN 111 HB1 ASN 111 27.570 1.793 -17.742 824 HD21 ASN 111 HD21 ASN 111 28.866 2.646 -16.114 825 HD22 ASN 111 HD22 ASN 111 29.134 1.812 -14.624 826 H THR 112 HN THR 112 26.459 3.905 -14.966 827 HA THR 112 HA THR 112 26.953 6.106 -14.604 828 HB THR 112 HB THR 112 28.936 6.903 -15.982 829 HG1 THR 112 HG1 THR 112 28.460 4.375 -17.183 830 HG21 THR 112 HG21 THR 112 29.115 4.194 -14.656 831 HG22 THR 112 HG22 THR 112 29.214 5.756 -13.845 832 HG23 THR 112 HG23 THR 112 30.474 5.272 -14.980 833 H GLN 113 HN GLN 113 27.628 8.309 -15.862 834 HA GLN 113 HA GLN 113 25.648 8.783 -17.987 835 HB2 GLN 113 HB2 GLN 113 26.074 10.399 -15.478 836 HB3 GLN 113 HB1 GLN 113 25.290 11.071 -16.901 837 HG2 GLN 113 HG2 GLN 113 23.565 9.343 -16.767 838 HG3 GLN 113 HG1 GLN 113 24.352 8.674 -15.338 839 HE21 GLN 113 HE21 GLN 113 22.476 11.302 -16.617 840 HE22 GLN 113 HE22 GLN 113 22.021 11.986 -15.097 841 H PHE 114 HN PHE 114 28.555 9.978 -16.336 842 HA PHE 114 HA PHE 114 29.318 11.413 -18.792 843 HB2 PHE 114 HB2 PHE 114 30.149 11.831 -15.916 844 HB3 PHE 114 HB1 PHE 114 30.941 12.625 -17.272 845 HD1 PHE 114 HD2 PHE 114 29.824 14.376 -18.515 846 HD2 PHE 114 HD1 PHE 114 27.919 12.458 -15.228 847 HE1 PHE 114 HE2 PHE 114 28.145 16.174 -18.442 848 HE2 PHE 114 HE1 PHE 114 26.237 14.251 -15.151 849 HZ PHE 114 HZ PHE 114 26.349 16.113 -16.759 850 H ASP 115 HN ASP 115 30.965 10.693 -19.954 851 HA ASP 115 HA ASP 115 32.961 8.926 -18.708 852 HB2 ASP 115 HB2 ASP 115 31.485 8.458 -21.303 853 HB3 ASP 115 HB1 ASP 115 32.976 7.621 -20.886 854 H ALA 116 HN ALA 116 35.039 9.191 -19.379 855 HA ALA 116 HA ALA 116 35.555 11.466 -21.165 856 HB1 ALA 116 HB1 ALA 116 36.458 11.646 -18.895 857 HB2 ALA 116 HB2 ALA 116 37.744 11.604 -20.102 858 HB3 ALA 116 HB3 ALA 116 37.383 10.166 -19.147 859 H ALA 117 HN ALA 117 36.408 11.161 -23.103 860 HA ALA 117 HA ALA 117 37.433 8.499 -23.803 861 HB1 ALA 117 HB1 ALA 117 35.540 9.318 -25.124 862 HB2 ALA 117 HB2 ALA 117 36.980 9.098 -26.118 863 HB3 ALA 117 HB3 ALA 117 36.492 10.718 -25.618 864 H ASN 118 HN ASN 118 38.207 11.953 -24.090 865 HA ASN 118 HA ASN 118 40.914 11.286 -25.006 866 HB2 ASN 118 HB2 ASN 118 39.358 13.875 -24.997 867 HB3 ASN 118 HB1 ASN 118 41.071 13.791 -25.394 868 HD21 ASN 118 HD21 ASN 118 37.848 12.986 -26.403 869 HD22 ASN 118 HD22 ASN 118 38.240 12.594 -28.039 870 H GLY 119 HN GLY 119 42.754 12.025 -23.955 871 HA2 GLY 119 HA2 GLY 119 42.494 13.425 -21.411 872 HA3 GLY 119 HA1 GLY 119 43.106 11.780 -21.329 873 H ILE 120 HN ILE 120 43.846 15.047 -21.922 874 HA ILE 120 HA ILE 120 46.534 14.361 -22.898 875 HB ILE 120 HB ILE 120 46.695 16.871 -23.414 876 HG12 ILE 120 HG12 ILE 120 44.229 17.645 -24.109 877 HG13 ILE 120 HG11 ILE 120 43.795 16.647 -22.726 878 HG21 ILE 120 HG21 ILE 120 44.807 15.124 -24.979 879 HG22 ILE 120 HG22 ILE 120 46.564 15.169 -25.121 880 HG23 ILE 120 HG23 ILE 120 45.605 16.573 -25.590 881 HD11 ILE 120 HD11 ILE 120 45.694 18.983 -22.692 882 HD12 ILE 120 HD12 ILE 120 45.262 17.985 -21.304 883 HD13 ILE 120 HD13 ILE 120 44.035 18.976 -22.094 884 H ASP 121 HN ASP 121 48.374 15.298 -21.971 885 HA ASP 121 HA ASP 121 48.000 16.496 -19.307 886 HB2 ASP 121 HB2 ASP 121 49.903 14.287 -20.100 887 HB3 ASP 121 HB1 ASP 121 50.085 15.222 -18.620 888 H ASP 122 HN ASP 122 49.141 18.283 -18.924 889 HA ASP 122 HA ASP 122 51.043 19.178 -20.967 890 HB2 ASP 122 HB2 ASP 122 49.487 20.675 -18.854 891 HB3 ASP 122 HB1 ASP 122 50.754 21.426 -19.820 892 H GLU 123 HN GLU 123 50.735 18.788 -17.454 893 HA GLU 123 HA GLU 123 53.671 18.839 -17.254 894 HB2 GLU 123 HB2 GLU 123 51.663 20.165 -15.436 895 HB3 GLU 123 HB1 GLU 123 53.304 19.810 -14.916 896 HG2 GLU 123 HG2 GLU 123 54.179 21.209 -16.717 897 HG3 GLU 123 HG1 GLU 123 52.534 21.561 -17.242 Start of MODEL 11 1 H TYR 1 HT1 TYR 1 -23.365 -17.825 5.525 2 HA TYR 1 HA TYR 1 -22.901 -17.929 7.859 3 HB2 TYR 1 HB2 TYR 1 -23.388 -20.079 9.081 4 HB3 TYR 1 HB1 TYR 1 -24.800 -19.107 8.697 5 HD1 TYR 1 HD2 TYR 1 -26.328 -19.835 6.854 6 HD2 TYR 1 HD1 TYR 1 -23.144 -22.292 8.242 7 HE1 TYR 1 HE2 TYR 1 -27.382 -21.788 5.797 8 HE2 TYR 1 HE1 TYR 1 -24.189 -24.252 7.187 9 HH TYR 1 HH TYR 1 -26.427 -24.972 6.450 10 H LEU 2 HN LEU 2 -22.603 -20.128 5.209 11 HA LEU 2 HA LEU 2 -20.059 -21.198 6.175 12 HB2 LEU 2 HB2 LEU 2 -21.719 -21.835 3.736 13 HB3 LEU 2 HB1 LEU 2 -20.157 -22.559 4.062 14 HG LEU 2 HG LEU 2 -22.324 -22.801 6.112 15 HD11 LEU 2 HD11 LEU 2 -22.078 -24.501 3.635 16 HD12 LEU 2 HD12 LEU 2 -23.417 -23.425 4.035 17 HD13 LEU 2 HD13 LEU 2 -23.107 -24.854 5.023 18 HD21 LEU 2 HD21 LEU 2 -21.197 -24.928 6.556 19 HD22 LEU 2 HD22 LEU 2 -20.070 -23.575 6.654 20 HD23 LEU 2 HD23 LEU 2 -20.077 -24.615 5.230 21 H ARG 3 HN ARG 3 -18.121 -20.662 5.394 22 HA ARG 3 HA ARG 3 -16.518 -19.243 4.600 23 HB2 ARG 3 HB2 ARG 3 -17.896 -20.227 2.111 24 HB3 ARG 3 HB1 ARG 3 -16.424 -19.269 2.045 25 HG2 ARG 3 HG2 ARG 3 -15.266 -20.971 3.374 26 HG3 ARG 3 HG1 ARG 3 -16.743 -21.935 3.413 27 HD2 ARG 3 HD2 ARG 3 -16.697 -22.104 0.974 28 HD3 ARG 3 HD1 ARG 3 -15.225 -21.134 0.932 29 HE ARG 3 HE ARG 3 -14.851 -23.384 2.596 30 HH11 ARG 3 HH11 ARG 3 -15.112 -22.566 -0.810 31 HH12 ARG 3 HH12 ARG 3 -14.158 -23.917 -1.325 32 HH21 ARG 3 HH21 ARG 3 -13.604 -25.144 1.899 33 HH22 ARG 3 HH22 ARG 3 -13.305 -25.375 0.208 34 H LEU 4 HN LEU 4 -16.599 -17.178 5.157 35 HA LEU 4 HA LEU 4 -18.536 -15.358 4.008 36 HB2 LEU 4 HB2 LEU 4 -17.543 -13.703 5.567 37 HB3 LEU 4 HB1 LEU 4 -18.143 -15.147 6.352 38 HG LEU 4 HG LEU 4 -15.546 -15.835 6.083 39 HD11 LEU 4 HD11 LEU 4 -15.546 -12.844 6.458 40 HD12 LEU 4 HD12 LEU 4 -14.913 -13.718 5.063 41 HD13 LEU 4 HD13 LEU 4 -14.154 -13.909 6.643 42 HD21 LEU 4 HD21 LEU 4 -16.844 -15.930 8.136 43 HD22 LEU 4 HD22 LEU 4 -16.742 -14.178 8.302 44 HD23 LEU 4 HD23 LEU 4 -15.283 -15.161 8.427 45 H PHE 5 HN PHE 5 -17.992 -13.386 2.951 46 HA PHE 5 HA PHE 5 -15.604 -13.631 1.276 47 HB2 PHE 5 HB2 PHE 5 -16.736 -11.876 -0.143 48 HB3 PHE 5 HB1 PHE 5 -17.586 -13.409 -0.031 49 HD1 PHE 5 HD1 PHE 5 -19.701 -13.573 1.152 50 HD2 PHE 5 HD2 PHE 5 -17.641 -9.864 0.839 51 HE1 PHE 5 HE1 PHE 5 -21.740 -12.387 1.851 52 HE2 PHE 5 HE2 PHE 5 -19.676 -8.670 1.539 53 HZ PHE 5 HZ PHE 5 -21.729 -9.932 2.045 54 H GLY 6 HN GLY 6 -14.188 -11.899 0.902 55 HA2 GLY 6 HA2 GLY 6 -14.189 -9.338 1.793 56 HA3 GLY 6 HA1 GLY 6 -13.730 -10.245 3.226 57 H GLN 7 HN GLN 7 -11.740 -9.032 3.126 58 HA GLN 7 HA GLN 7 -9.886 -9.868 1.008 59 HB2 GLN 7 HB2 GLN 7 -9.972 -7.523 2.867 60 HB3 GLN 7 HB1 GLN 7 -8.434 -8.028 2.176 61 HG2 GLN 7 HG2 GLN 7 -9.197 -7.623 -0.031 62 HG3 GLN 7 HG1 GLN 7 -10.864 -7.437 0.506 63 HE21 GLN 7 HE21 GLN 7 -7.726 -5.952 0.315 64 HE22 GLN 7 HE22 GLN 7 -8.238 -4.347 0.697 65 H ASP 8 HN ASP 8 -7.738 -10.502 1.556 66 HA ASP 8 HA ASP 8 -7.602 -11.983 4.095 67 HB2 ASP 8 HB2 ASP 8 -6.254 -12.396 1.433 68 HB3 ASP 8 HB1 ASP 8 -5.783 -13.276 2.884 69 H GLY 9 HN GLY 9 -6.342 -9.244 2.575 70 HA2 GLY 9 HA2 GLY 9 -3.658 -9.357 3.604 71 HA3 GLY 9 HA1 GLY 9 -4.426 -7.978 2.839 72 H LEU 10 HN LEU 10 -4.707 -9.870 5.846 73 HA LEU 10 HA LEU 10 -5.849 -7.942 7.492 74 HB2 LEU 10 HB2 LEU 10 -4.039 -10.270 8.059 75 HB3 LEU 10 HB1 LEU 10 -4.628 -9.246 9.352 76 HG LEU 10 HG LEU 10 -6.808 -10.128 7.669 77 HD11 LEU 10 HD11 LEU 10 -6.734 -12.496 8.262 78 HD12 LEU 10 HD12 LEU 10 -5.130 -12.273 8.957 79 HD13 LEU 10 HD13 LEU 10 -5.380 -12.047 7.226 80 HD21 LEU 10 HD21 LEU 10 -7.654 -10.922 9.864 81 HD22 LEU 10 HD22 LEU 10 -7.139 -9.236 9.881 82 HD23 LEU 10 HD23 LEU 10 -6.106 -10.482 10.581 83 H CYS 11 HN CYS 11 -4.897 -6.691 9.292 84 HA CYS 11 HA CYS 11 -2.674 -5.118 8.390 85 HB2 CYS 11 HB2 CYS 11 -4.572 -4.139 9.663 86 HB3 CYS 11 HB1 CYS 11 -4.054 -5.047 11.080 87 H ALA 12 HN ALA 12 -0.613 -5.182 8.949 88 HA ALA 12 HA ALA 12 0.501 -7.434 10.258 89 HB1 ALA 12 HB1 ALA 12 1.481 -5.639 8.538 90 HB2 ALA 12 HB2 ALA 12 2.507 -6.652 9.556 91 HB3 ALA 12 HB3 ALA 12 2.148 -4.992 10.036 92 H SER 13 HN SER 13 -0.593 -4.367 11.409 93 HA SER 13 HA SER 13 0.737 -4.675 13.995 94 HB2 SER 13 HB2 SER 13 0.759 -2.456 12.821 95 HB3 SER 13 HB1 SER 13 -0.989 -2.380 13.034 96 HG SER 13 HG SER 13 -0.244 -2.843 15.393 97 H CYS 14 HN CYS 14 -2.538 -4.314 12.615 98 HA CYS 14 HA CYS 14 -3.714 -5.154 15.177 99 HB2 CYS 14 HB2 CYS 14 -5.321 -4.292 12.787 100 HB3 CYS 14 HB1 CYS 14 -5.757 -4.230 14.487 101 H ASP 15 HN ASP 15 -5.130 -6.888 15.316 102 HA ASP 15 HA ASP 15 -4.818 -8.945 13.269 103 HB2 ASP 15 HB2 ASP 15 -4.609 -9.286 15.848 104 HB3 ASP 15 HB1 ASP 15 -6.369 -9.267 15.839 105 H LYS 16 HN LYS 16 -6.165 -6.870 12.294 106 HA LYS 16 HA LYS 16 -9.009 -7.643 12.254 107 HB2 LYS 16 HB2 LYS 16 -8.622 -5.471 13.348 108 HB3 LYS 16 HB1 LYS 16 -7.756 -4.908 11.940 109 HG2 LYS 16 HG2 LYS 16 -9.833 -5.064 10.624 110 HG3 LYS 16 HG1 LYS 16 -10.681 -5.566 12.080 111 HD2 LYS 16 HD2 LYS 16 -10.096 -3.451 13.161 112 HD3 LYS 16 HD1 LYS 16 -9.244 -2.947 11.700 113 HE2 LYS 16 HE2 LYS 16 -11.341 -3.067 10.441 114 HE3 LYS 16 HE1 LYS 16 -12.189 -3.569 11.903 115 HZ1 LYS 16 HZ1 LYS 16 -10.797 -0.973 11.517 116 HZ2 LYS 16 HZ2 LYS 16 -11.613 -1.452 12.918 117 HZ3 LYS 16 HZ3 LYS 16 -12.472 -1.209 11.482 118 H ARG 17 HN ARG 17 -9.897 -8.049 10.304 119 HA ARG 17 HA ARG 17 -8.299 -8.422 8.008 120 HB2 ARG 17 HB2 ARG 17 -11.316 -8.264 8.218 121 HB3 ARG 17 HB1 ARG 17 -10.425 -8.888 6.838 122 HG2 ARG 17 HG2 ARG 17 -9.423 -10.563 8.506 123 HG3 ARG 17 HG1 ARG 17 -10.748 -10.084 9.563 124 HD2 ARG 17 HD2 ARG 17 -12.358 -10.704 7.833 125 HD3 ARG 17 HD1 ARG 17 -11.037 -11.171 6.763 126 HE ARG 17 HE ARG 17 -11.154 -12.521 9.335 127 HH11 ARG 17 HH11 ARG 17 -11.920 -12.678 5.910 128 HH12 ARG 17 HH12 ARG 17 -12.093 -14.401 5.911 129 HH21 ARG 17 HH21 ARG 17 -11.384 -14.776 9.311 130 HH22 ARG 17 HH22 ARG 17 -11.790 -15.588 7.835 131 H ILE 18 HN ILE 18 -7.541 -6.946 6.639 132 HA ILE 18 HA ILE 18 -8.426 -4.229 6.672 133 HB ILE 18 HB ILE 18 -6.340 -5.788 5.200 134 HG12 ILE 18 HG12 ILE 18 -6.239 -3.187 6.744 135 HG13 ILE 18 HG11 ILE 18 -5.971 -4.776 7.448 136 HG21 ILE 18 HG21 ILE 18 -5.840 -4.243 3.572 137 HG22 ILE 18 HG22 ILE 18 -6.664 -2.927 4.409 138 HG23 ILE 18 HG23 ILE 18 -7.603 -4.166 3.573 139 HD11 ILE 18 HD11 ILE 18 -3.988 -5.070 6.064 140 HD12 ILE 18 HD12 ILE 18 -3.875 -3.612 7.051 141 HD13 ILE 18 HD13 ILE 18 -4.255 -3.487 5.334 142 H ARG 19 HN ARG 19 -10.477 -3.953 6.041 143 HA ARG 19 HA ARG 19 -11.135 -4.349 3.237 144 HB2 ARG 19 HB2 ARG 19 -13.382 -5.373 3.828 145 HB3 ARG 19 HB1 ARG 19 -11.988 -6.420 4.017 146 HG2 ARG 19 HG2 ARG 19 -12.031 -5.983 6.453 147 HG3 ARG 19 HG1 ARG 19 -13.487 -5.011 6.223 148 HD2 ARG 19 HD2 ARG 19 -14.679 -6.939 5.372 149 HD3 ARG 19 HD1 ARG 19 -13.218 -7.921 5.475 150 HE ARG 19 HE ARG 19 -13.962 -6.769 7.990 151 HH11 ARG 19 HH11 ARG 19 -14.595 -9.479 5.847 152 HH12 ARG 19 HH12 ARG 19 -15.150 -10.507 7.126 153 HH21 ARG 19 HH21 ARG 19 -14.691 -8.133 9.646 154 HH22 ARG 19 HH22 ARG 19 -15.204 -9.745 9.274 155 H ALA 20 HN ALA 20 -13.395 -3.440 2.747 156 HA ALA 20 HA ALA 20 -14.744 -1.652 2.516 157 HB1 ALA 20 HB1 ALA 20 -15.914 -0.845 4.463 158 HB2 ALA 20 HB2 ALA 20 -14.676 -1.514 5.525 159 HB3 ALA 20 HB3 ALA 20 -15.698 -2.593 4.575 160 H TYR 21 HN TYR 21 -13.008 -0.374 5.377 161 HA TYR 21 HA TYR 21 -12.710 2.194 4.123 162 HB2 TYR 21 HB2 TYR 21 -13.047 1.572 6.657 163 HB3 TYR 21 HB1 TYR 21 -11.294 1.427 6.658 164 HD1 TYR 21 HD1 TYR 21 -14.056 3.809 5.894 165 HD2 TYR 21 HD2 TYR 21 -9.952 3.329 6.917 166 HE1 TYR 21 HE1 TYR 21 -13.868 6.234 6.255 167 HE2 TYR 21 HE2 TYR 21 -9.756 5.754 7.282 168 HH TYR 21 HH TYR 21 -12.449 7.807 7.493 169 H GLU 22 HN GLU 22 -10.337 -0.097 5.472 170 HA GLU 22 HA GLU 22 -8.053 -0.168 5.237 171 HB2 GLU 22 HB2 GLU 22 -7.515 -1.248 3.006 172 HB3 GLU 22 HB1 GLU 22 -8.724 -2.025 4.009 173 HG2 GLU 22 HG2 GLU 22 -10.049 -2.077 2.225 174 HG3 GLU 22 HG1 GLU 22 -10.171 -0.323 2.335 175 H MET 23 HN MET 23 -8.644 1.024 1.916 176 HA MET 23 HA MET 23 -7.537 2.531 0.623 177 HB2 MET 23 HB2 MET 23 -8.025 4.081 3.154 178 HB3 MET 23 HB1 MET 23 -7.258 4.834 1.764 179 HG2 MET 23 HG2 MET 23 -9.214 4.301 0.399 180 HG3 MET 23 HG1 MET 23 -9.980 3.550 1.798 181 HE1 MET 23 HE1 MET 23 -11.355 5.835 0.035 182 HE2 MET 23 HE2 MET 23 -12.063 6.838 1.303 183 HE3 MET 23 HE3 MET 23 -12.127 5.080 1.430 184 H THR 24 HN THR 24 -5.784 0.683 1.691 185 HA THR 24 HA THR 24 -3.350 2.272 2.169 186 HB THR 24 HB THR 24 -3.749 0.949 4.103 187 HG1 THR 24 HG1 THR 24 -1.873 -0.651 3.796 188 HG21 THR 24 HG21 THR 24 -5.246 -0.765 3.235 189 HG22 THR 24 HG22 THR 24 -3.902 -1.509 4.099 190 HG23 THR 24 HG23 THR 24 -3.912 -1.487 2.335 191 H MET 25 HN MET 25 -1.319 1.104 1.482 192 HA MET 25 HA MET 25 -1.760 0.035 -1.184 193 HB2 MET 25 HB2 MET 25 0.613 0.713 -1.653 194 HB3 MET 25 HB1 MET 25 -0.460 2.051 -1.283 195 HG2 MET 25 HG2 MET 25 1.360 0.797 0.761 196 HG3 MET 25 HG1 MET 25 1.843 2.147 -0.264 197 HE1 MET 25 HE1 MET 25 1.173 3.431 3.476 198 HE2 MET 25 HE2 MET 25 2.344 2.576 2.472 199 HE3 MET 25 HE3 MET 25 1.072 1.680 3.299 200 H ARG 26 HN ARG 26 0.008 -1.526 -1.964 201 HA ARG 26 HA ARG 26 0.164 -3.693 -0.037 202 HB2 ARG 26 HB2 ARG 26 0.765 -3.509 -2.987 203 HB3 ARG 26 HB1 ARG 26 1.119 -4.949 -2.045 204 HG2 ARG 26 HG2 ARG 26 -1.232 -5.192 -1.490 205 HG3 ARG 26 HG1 ARG 26 -1.606 -3.713 -2.378 206 HD2 ARG 26 HD2 ARG 26 -0.795 -4.750 -4.441 207 HD3 ARG 26 HD1 ARG 26 -0.421 -6.227 -3.553 208 HE ARG 26 HE ARG 26 -3.087 -5.711 -3.081 209 HH11 ARG 26 HH11 ARG 26 -1.128 -6.366 -5.921 210 HH12 ARG 26 HH12 ARG 26 -2.433 -7.101 -6.793 211 HH21 ARG 26 HH21 ARG 26 -4.779 -6.677 -4.240 212 HH22 ARG 26 HH22 ARG 26 -4.498 -7.276 -5.841 213 H VAL 27 HN VAL 27 1.861 -4.103 1.176 214 HA VAL 27 HA VAL 27 4.433 -2.838 0.560 215 HB VAL 27 HB VAL 27 3.892 -4.296 3.154 216 HG11 VAL 27 HG11 VAL 27 6.131 -3.597 2.999 217 HG12 VAL 27 HG12 VAL 27 5.348 -2.382 4.007 218 HG13 VAL 27 HG13 VAL 27 5.688 -2.034 2.313 219 HG21 VAL 27 HG21 VAL 27 1.981 -2.879 3.028 220 HG22 VAL 27 HG22 VAL 27 2.945 -1.523 2.449 221 HG23 VAL 27 HG23 VAL 27 3.136 -2.094 4.105 222 H LYS 28 HN LYS 28 6.332 -4.397 1.576 223 HA LYS 28 HA LYS 28 6.904 -6.303 -0.298 224 HB2 LYS 28 HB2 LYS 28 7.896 -5.949 2.513 225 HB3 LYS 28 HB1 LYS 28 8.519 -7.228 1.481 226 HG2 LYS 28 HG2 LYS 28 9.228 -5.552 -0.159 227 HG3 LYS 28 HG1 LYS 28 8.614 -4.274 0.893 228 HD2 LYS 28 HD2 LYS 28 10.188 -4.961 2.640 229 HD3 LYS 28 HD1 LYS 28 10.802 -6.235 1.583 230 HE2 LYS 28 HE2 LYS 28 11.517 -4.539 -0.034 231 HE3 LYS 28 HE1 LYS 28 10.910 -3.271 1.032 232 HZ1 LYS 28 HZ1 LYS 28 13.295 -3.558 1.269 233 HZ2 LYS 28 HZ2 LYS 28 13.087 -5.184 1.687 234 HZ3 LYS 28 HZ3 LYS 28 12.505 -3.969 2.709 235 H ASP 29 HN ASP 29 6.048 -7.282 3.070 236 HA ASP 29 HA ASP 29 4.882 -9.725 1.902 237 HB2 ASP 29 HB2 ASP 29 6.498 -9.387 4.424 238 HB3 ASP 29 HB1 ASP 29 5.518 -10.815 4.114 239 H LYS 30 HN LYS 30 4.658 -7.423 4.600 240 HA LYS 30 HA LYS 30 1.943 -8.407 5.166 241 HB2 LYS 30 HB2 LYS 30 3.742 -6.735 6.930 242 HB3 LYS 30 HB1 LYS 30 2.188 -7.415 7.372 243 HG2 LYS 30 HG2 LYS 30 3.039 -9.629 7.339 244 HG3 LYS 30 HG1 LYS 30 4.545 -9.102 6.588 245 HD2 LYS 30 HD2 LYS 30 4.833 -7.654 8.707 246 HD3 LYS 30 HD1 LYS 30 3.602 -8.708 9.407 247 HE2 LYS 30 HE2 LYS 30 4.984 -10.657 8.902 248 HE3 LYS 30 HE1 LYS 30 6.208 -9.609 8.185 249 HZ1 LYS 30 HZ1 LYS 30 6.514 -8.558 10.341 250 HZ2 LYS 30 HZ2 LYS 30 6.788 -10.223 10.447 251 HZ3 LYS 30 HZ3 LYS 30 5.341 -9.566 11.028 252 H VAL 31 HN VAL 31 0.262 -6.897 5.595 253 HA VAL 31 HA VAL 31 0.645 -4.281 4.284 254 HB VAL 31 HB VAL 31 -2.041 -5.634 4.594 255 HG11 VAL 31 HG11 VAL 31 -2.095 -3.251 4.097 256 HG12 VAL 31 HG12 VAL 31 -2.682 -4.184 2.720 257 HG13 VAL 31 HG13 VAL 31 -1.055 -3.504 2.695 258 HG21 VAL 31 HG21 VAL 31 -0.647 -7.179 3.323 259 HG22 VAL 31 HG22 VAL 31 -0.182 -5.877 2.227 260 HG23 VAL 31 HG23 VAL 31 -1.856 -6.430 2.280 261 H TYR 32 HN TYR 32 0.009 -2.446 5.326 262 HA TYR 32 HA TYR 32 -0.985 -2.736 8.096 263 HB2 TYR 32 HB2 TYR 32 0.810 -0.577 6.959 264 HB3 TYR 32 HB1 TYR 32 0.227 -0.651 8.615 265 HD1 TYR 32 HD1 TYR 32 2.283 -2.542 6.146 266 HD2 TYR 32 HD2 TYR 32 1.507 -1.718 10.245 267 HE1 TYR 32 HE1 TYR 32 4.293 -3.807 6.765 268 HE2 TYR 32 HE2 TYR 32 3.511 -2.986 10.886 269 HH TYR 32 HH TYR 32 4.948 -4.760 9.957 270 H HIS 33 HN HIS 33 -2.491 -1.188 8.865 271 HA HIS 33 HA HIS 33 -4.372 -0.150 7.006 272 HB2 HIS 33 HB2 HIS 33 -3.931 0.218 9.963 273 HB3 HIS 33 HB1 HIS 33 -5.132 1.185 9.123 274 HD2 HIS 33 HD2 HIS 33 -7.039 -0.708 7.656 275 HE1 HIS 33 HE1 HIS 33 -6.856 -3.352 10.981 276 HE2 HIS 33 HE2 HIS 33 -8.163 -2.651 8.944 277 H LEU 34 HN LEU 34 -4.979 2.250 6.871 278 HA LEU 34 HA LEU 34 -2.723 3.772 6.074 279 HB2 LEU 34 HB2 LEU 34 -4.285 5.628 5.716 280 HB3 LEU 34 HB1 LEU 34 -4.853 4.136 5.000 281 HG LEU 34 HG LEU 34 -6.135 4.082 7.412 282 HD11 LEU 34 HD11 LEU 34 -6.005 6.965 6.536 283 HD12 LEU 34 HD12 LEU 34 -5.332 6.299 8.023 284 HD13 LEU 34 HD13 LEU 34 -7.079 6.310 7.772 285 HD21 LEU 34 HD21 LEU 34 -7.090 5.375 4.861 286 HD22 LEU 34 HD22 LEU 34 -8.114 4.758 6.157 287 HD23 LEU 34 HD23 LEU 34 -7.115 3.649 5.222 288 H GLU 35 HN GLU 35 -4.859 4.033 8.906 289 HA GLU 35 HA GLU 35 -3.499 6.179 10.167 290 HB2 GLU 35 HB2 GLU 35 -5.344 4.045 11.237 291 HB3 GLU 35 HB1 GLU 35 -4.681 5.317 12.251 292 HG2 GLU 35 HG2 GLU 35 -5.723 6.980 10.703 293 HG3 GLU 35 HG1 GLU 35 -6.519 5.631 9.895 294 H CYS 36 HN CYS 36 -2.875 2.787 9.988 295 HA CYS 36 HA CYS 36 -1.095 2.699 12.274 296 HB2 CYS 36 HB2 CYS 36 -1.624 0.574 10.187 297 HB3 CYS 36 HB1 CYS 36 -0.863 0.341 11.759 298 H PHE 37 HN PHE 37 -0.772 3.772 9.137 299 HA PHE 37 HA PHE 37 1.987 2.876 8.805 300 HB2 PHE 37 HB2 PHE 37 0.230 2.906 6.921 301 HB3 PHE 37 HB1 PHE 37 0.442 4.652 6.909 302 HD1 PHE 37 HD2 PHE 37 2.281 1.449 6.503 303 HD2 PHE 37 HD1 PHE 37 2.175 5.628 5.691 304 HE1 PHE 37 HE2 PHE 37 4.208 1.199 4.995 305 HE2 PHE 37 HE1 PHE 37 4.110 5.387 4.190 306 HZ PHE 37 HZ PHE 37 5.126 3.170 3.836 307 H LYS 38 HN LYS 38 2.026 4.291 10.963 308 HA LYS 38 HA LYS 38 3.017 6.961 10.213 309 HB2 LYS 38 HB2 LYS 38 2.372 7.704 12.535 310 HB3 LYS 38 HB1 LYS 38 1.030 7.353 11.463 311 HG2 LYS 38 HG2 LYS 38 0.714 5.186 12.570 312 HG3 LYS 38 HG1 LYS 38 2.064 5.547 13.648 313 HD2 LYS 38 HD2 LYS 38 0.855 7.495 14.507 314 HD3 LYS 38 HD1 LYS 38 -0.493 7.136 13.425 315 HE2 LYS 38 HE2 LYS 38 -0.813 4.984 14.546 316 HE3 LYS 38 HE1 LYS 38 0.533 5.346 15.626 317 HZ1 LYS 38 HZ1 LYS 38 -1.591 5.817 16.672 318 HZ2 LYS 38 HZ2 LYS 38 -1.993 6.897 15.435 319 HZ3 LYS 38 HZ3 LYS 38 -0.703 7.244 16.470 320 H CYS 39 HN CYS 39 4.685 7.864 11.632 321 HA CYS 39 HA CYS 39 6.854 6.089 12.025 322 HB2 CYS 39 HB2 CYS 39 7.019 8.544 11.486 323 HB3 CYS 39 HB1 CYS 39 6.577 8.877 13.155 324 H ALA 40 HN ALA 40 7.874 5.379 13.902 325 HA ALA 40 HA ALA 40 6.122 5.141 16.233 326 HB1 ALA 40 HB1 ALA 40 8.662 3.665 15.554 327 HB2 ALA 40 HB2 ALA 40 7.018 3.085 15.287 328 HB3 ALA 40 HB3 ALA 40 7.609 3.332 16.930 329 H ALA 41 HN ALA 41 8.628 7.115 15.245 330 HA ALA 41 HA ALA 41 9.706 7.463 17.953 331 HB1 ALA 41 HB1 ALA 41 11.324 7.068 16.139 332 HB2 ALA 41 HB2 ALA 41 11.562 8.624 16.935 333 HB3 ALA 41 HB3 ALA 41 10.779 8.553 15.357 334 H CYS 42 HN CYS 42 8.440 9.414 15.228 335 HA CYS 42 HA CYS 42 7.889 11.577 17.151 336 HB2 CYS 42 HB2 CYS 42 7.948 13.140 15.303 337 HB3 CYS 42 HB1 CYS 42 9.420 12.177 15.299 338 H GLN 43 HN GLN 43 6.365 9.114 15.564 339 HA GLN 43 HA GLN 43 4.224 8.486 15.218 340 HB2 GLN 43 HB2 GLN 43 3.724 10.876 16.975 341 HB3 GLN 43 HB1 GLN 43 2.399 9.918 16.334 342 HG2 GLN 43 HG2 GLN 43 2.745 9.024 18.444 343 HG3 GLN 43 HG1 GLN 43 3.612 7.911 17.388 344 HE21 GLN 43 HE21 GLN 43 5.862 7.892 17.415 345 HE22 GLN 43 HE22 GLN 43 6.773 8.611 18.695 346 H LYS 44 HN LYS 44 5.582 10.761 13.529 347 HA LYS 44 HA LYS 44 3.492 12.258 12.331 348 HB2 LYS 44 HB2 LYS 44 6.109 12.540 12.257 349 HB3 LYS 44 HB1 LYS 44 5.971 11.553 10.812 350 HG2 LYS 44 HG2 LYS 44 4.445 13.194 9.834 351 HG3 LYS 44 HG1 LYS 44 4.580 14.184 11.289 352 HD2 LYS 44 HD2 LYS 44 6.984 14.434 10.891 353 HD3 LYS 44 HD1 LYS 44 6.845 13.446 9.435 354 HE2 LYS 44 HE2 LYS 44 5.327 15.100 8.461 355 HE3 LYS 44 HE1 LYS 44 5.466 16.086 9.917 356 HZ1 LYS 44 HZ1 LYS 44 7.694 15.393 8.078 357 HZ2 LYS 44 HZ2 LYS 44 7.829 16.337 9.474 358 HZ3 LYS 44 HZ3 LYS 44 6.915 16.892 8.164 359 H HIS 45 HN HIS 45 2.820 12.083 10.038 360 HA HIS 45 HA HIS 45 2.227 9.285 9.373 361 HB2 HIS 45 HB2 HIS 45 0.868 11.870 8.592 362 HB3 HIS 45 HB1 HIS 45 0.458 10.317 7.874 363 HD1 HIS 45 HD1 HIS 45 -1.123 8.840 9.156 364 HD2 HIS 45 HD2 HIS 45 0.246 12.052 11.406 365 HE1 HIS 45 HE1 HIS 45 -2.491 8.815 11.265 366 HE2 HIS 45 HE2 HIS 45 -1.709 10.823 12.569 367 H PHE 46 HN PHE 46 2.389 8.528 7.235 368 HA PHE 46 HA PHE 46 4.459 9.901 5.663 369 HB2 PHE 46 HB2 PHE 46 3.635 7.003 5.790 370 HB3 PHE 46 HB1 PHE 46 4.757 7.627 4.595 371 HD1 PHE 46 HD2 PHE 46 4.253 7.498 8.294 372 HD2 PHE 46 HD1 PHE 46 7.012 7.560 5.053 373 HE1 PHE 46 HE2 PHE 46 6.093 7.154 9.871 374 HE2 PHE 46 HE1 PHE 46 8.867 7.208 6.631 375 HZ PHE 46 HZ PHE 46 8.409 7.006 9.045 376 H SER 47 HN SER 47 4.150 10.458 3.610 377 HA SER 47 HA SER 47 1.536 9.902 2.372 378 HB2 SER 47 HB2 SER 47 3.178 12.442 2.191 379 HB3 SER 47 HB1 SER 47 1.672 12.142 1.323 380 HG SER 47 HG SER 47 1.693 11.829 4.102 381 H VAL 48 HN VAL 48 1.555 10.148 -0.045 382 HA VAL 48 HA VAL 48 3.521 8.479 -1.202 383 HB VAL 48 HB VAL 48 1.152 8.630 -1.967 384 HG11 VAL 48 HG11 VAL 48 2.000 11.208 -3.278 385 HG12 VAL 48 HG12 VAL 48 0.821 11.027 -1.981 386 HG13 VAL 48 HG13 VAL 48 0.485 10.354 -3.576 387 HG21 VAL 48 HG21 VAL 48 1.617 8.351 -4.361 388 HG22 VAL 48 HG22 VAL 48 2.787 7.504 -3.350 389 HG23 VAL 48 HG23 VAL 48 3.226 9.029 -4.118 390 H GLY 49 HN GLY 49 5.249 8.872 -2.530 391 HA2 GLY 49 HA2 GLY 49 6.529 10.321 -3.986 392 HA3 GLY 49 HA1 GLY 49 5.984 11.686 -3.026 393 H ASP 50 HN ASP 50 6.484 10.389 -0.463 394 HA ASP 50 HA ASP 50 9.370 10.829 -0.346 395 HB2 ASP 50 HB2 ASP 50 7.231 10.694 1.783 396 HB3 ASP 50 HB1 ASP 50 8.948 10.805 2.160 397 H ARG 51 HN ARG 51 10.796 9.414 0.751 398 HA ARG 51 HA ARG 51 10.131 6.606 0.420 399 HB2 ARG 51 HB2 ARG 51 12.727 7.978 1.141 400 HB3 ARG 51 HB1 ARG 51 12.550 6.243 0.930 401 HG2 ARG 51 HG2 ARG 51 11.749 6.741 -1.415 402 HG3 ARG 51 HG1 ARG 51 12.290 8.398 -1.147 403 HD2 ARG 51 HD2 ARG 51 14.550 7.588 -0.690 404 HD3 ARG 51 HD1 ARG 51 14.013 5.929 -0.945 405 HE ARG 51 HE ARG 51 13.412 7.486 -3.218 406 HH11 ARG 51 HH11 ARG 51 16.181 6.053 -1.603 407 HH12 ARG 51 HH12 ARG 51 17.106 5.916 -3.061 408 HH21 ARG 51 HH21 ARG 51 14.639 7.297 -5.114 409 HH22 ARG 51 HH22 ARG 51 16.232 6.621 -5.046 410 H TYR 52 HN TYR 52 10.109 5.061 2.022 411 HA TYR 52 HA TYR 52 10.351 6.011 4.796 412 HB2 TYR 52 HB2 TYR 52 8.374 4.877 5.467 413 HB3 TYR 52 HB1 TYR 52 7.951 5.791 4.031 414 HD1 TYR 52 HD2 TYR 52 7.640 4.583 1.854 415 HD2 TYR 52 HD1 TYR 52 8.153 2.503 5.535 416 HE1 TYR 52 HE2 TYR 52 6.728 2.543 0.827 417 HE2 TYR 52 HE1 TYR 52 7.239 0.466 4.517 418 HH TYR 52 HH TYR 52 6.805 0.115 1.168 419 H LEU 53 HN LEU 53 10.911 4.448 6.358 420 HA LEU 53 HA LEU 53 12.227 2.057 5.251 421 HB2 LEU 53 HB2 LEU 53 13.733 3.856 6.187 422 HB3 LEU 53 HB1 LEU 53 13.015 3.551 7.756 423 HG LEU 53 HG LEU 53 14.046 1.121 6.505 424 HD11 LEU 53 HD11 LEU 53 15.727 2.480 5.543 425 HD12 LEU 53 HD12 LEU 53 16.434 1.758 6.989 426 HD13 LEU 53 HD13 LEU 53 15.893 3.434 7.014 427 HD21 LEU 53 HD21 LEU 53 14.984 0.790 8.703 428 HD22 LEU 53 HD22 LEU 53 13.322 1.364 8.858 429 HD23 LEU 53 HD23 LEU 53 14.666 2.473 9.128 430 H LEU 54 HN LEU 54 11.496 0.163 5.938 431 HA LEU 54 HA LEU 54 9.466 0.085 8.017 432 HB2 LEU 54 HB2 LEU 54 9.406 -1.093 5.691 433 HB3 LEU 54 HB1 LEU 54 10.414 -2.299 6.461 434 HG LEU 54 HG LEU 54 7.863 -1.569 7.818 435 HD11 LEU 54 HD11 LEU 54 8.018 -3.311 5.363 436 HD12 LEU 54 HD12 LEU 54 7.168 -1.772 5.503 437 HD13 LEU 54 HD13 LEU 54 6.623 -3.168 6.432 438 HD21 LEU 54 HD21 LEU 54 7.888 -3.951 8.377 439 HD22 LEU 54 HD22 LEU 54 9.401 -3.170 8.839 440 HD23 LEU 54 HD23 LEU 54 9.332 -4.171 7.388 441 H ILE 55 HN ILE 55 10.055 -0.168 10.040 442 HA ILE 55 HA ILE 55 12.551 -1.499 10.711 443 HB ILE 55 HB ILE 55 11.541 0.738 11.752 444 HG12 ILE 55 HG12 ILE 55 12.901 0.027 13.912 445 HG13 ILE 55 HG11 ILE 55 13.331 -1.348 12.903 446 HG21 ILE 55 HG21 ILE 55 9.561 -0.387 12.740 447 HG22 ILE 55 HG22 ILE 55 10.557 0.466 13.920 448 HG23 ILE 55 HG23 ILE 55 10.653 -1.291 13.792 449 HD11 ILE 55 HD11 ILE 55 13.745 1.532 12.136 450 HD12 ILE 55 HD12 ILE 55 14.288 0.110 11.246 451 HD13 ILE 55 HD13 ILE 55 14.980 0.479 12.825 452 H ASN 56 HN ASN 56 12.350 -2.821 12.911 453 HA ASN 56 HA ASN 56 11.385 -5.321 12.369 454 HB2 ASN 56 HB2 ASN 56 11.656 -4.093 15.117 455 HB3 ASN 56 HB1 ASN 56 11.637 -5.813 14.751 456 HD21 ASN 56 HD21 ASN 56 13.432 -2.845 14.483 457 HD22 ASN 56 HD22 ASN 56 14.967 -3.562 14.162 458 H SER 57 HN SER 57 9.558 -2.699 13.890 459 HA SER 57 HA SER 57 7.217 -4.485 13.967 460 HB2 SER 57 HB2 SER 57 7.852 -2.189 15.831 461 HB3 SER 57 HB1 SER 57 6.365 -3.137 15.860 462 HG SER 57 HG SER 57 8.148 -4.943 15.963 463 H ASP 58 HN ASP 58 7.967 -0.968 13.825 464 HA ASP 58 HA ASP 58 5.678 -0.675 11.985 465 HB2 ASP 58 HB2 ASP 58 6.617 1.115 14.221 466 HB3 ASP 58 HB1 ASP 58 5.554 1.704 12.948 467 H ILE 59 HN ILE 59 6.097 2.025 11.311 468 HA ILE 59 HA ILE 59 8.513 1.836 9.638 469 HB ILE 59 HB ILE 59 6.052 3.566 9.233 470 HG12 ILE 59 HG12 ILE 59 6.047 1.959 7.086 471 HG13 ILE 59 HG11 ILE 59 6.804 0.867 8.239 472 HG21 ILE 59 HG21 ILE 59 7.851 4.713 8.235 473 HG22 ILE 59 HG22 ILE 59 7.020 3.874 6.925 474 HG23 ILE 59 HG23 ILE 59 8.530 3.227 7.573 475 HD11 ILE 59 HD11 ILE 59 4.912 0.966 9.682 476 HD12 ILE 59 HD12 ILE 59 4.334 0.641 8.047 477 HD13 ILE 59 HD13 ILE 59 4.186 2.261 8.731 478 H VAL 60 HN VAL 60 10.055 3.419 9.676 479 HA VAL 60 HA VAL 60 9.669 5.631 11.593 480 HB VAL 60 HB VAL 60 12.336 4.299 11.040 481 HG11 VAL 60 HG11 VAL 60 12.518 6.595 11.831 482 HG12 VAL 60 HG12 VAL 60 13.060 5.471 13.076 483 HG13 VAL 60 HG13 VAL 60 11.471 6.224 13.201 484 HG21 VAL 60 HG21 VAL 60 12.156 3.056 13.041 485 HG22 VAL 60 HG22 VAL 60 10.637 2.796 12.182 486 HG23 VAL 60 HG23 VAL 60 10.701 3.920 13.539 487 H CYS 61 HN CYS 61 9.863 7.598 10.776 488 HA CYS 61 HA CYS 61 10.390 8.133 8.062 489 HB2 CYS 61 HB2 CYS 61 10.008 10.409 8.591 490 HB3 CYS 61 HB1 CYS 61 8.982 9.494 9.687 491 H GLU 62 HN GLU 62 12.051 9.532 7.151 492 HA GLU 62 HA GLU 62 14.679 8.715 7.714 493 HB2 GLU 62 HB2 GLU 62 13.541 9.802 5.577 494 HB3 GLU 62 HB1 GLU 62 14.194 11.280 6.270 495 HG2 GLU 62 HG2 GLU 62 16.435 10.308 6.240 496 HG3 GLU 62 HG1 GLU 62 15.781 8.825 5.548 497 H GLN 63 HN GLN 63 12.764 11.222 9.090 498 HA GLN 63 HA GLN 63 14.807 12.981 9.980 499 HB2 GLN 63 HB2 GLN 63 12.179 13.239 9.868 500 HB3 GLN 63 HB1 GLN 63 12.270 12.655 11.524 501 HG2 GLN 63 HG2 GLN 63 13.761 14.508 12.094 502 HG3 GLN 63 HG1 GLN 63 13.671 15.090 10.433 503 HE21 GLN 63 HE21 GLN 63 11.977 14.722 13.442 504 HE22 GLN 63 HE22 GLN 63 10.669 15.789 13.073 505 H ASP 64 HN ASP 64 13.240 10.173 11.482 506 HA ASP 64 HA ASP 64 15.117 10.346 13.753 507 HB2 ASP 64 HB2 ASP 64 12.632 8.644 13.736 508 HB3 ASP 64 HB1 ASP 64 13.550 9.224 15.115 509 H ILE 65 HN ILE 65 15.054 8.820 10.903 510 HA ILE 65 HA ILE 65 15.186 6.079 11.368 511 HB ILE 65 HB ILE 65 15.023 6.939 9.124 512 HG12 ILE 65 HG12 ILE 65 17.219 5.068 9.845 513 HG13 ILE 65 HG11 ILE 65 15.778 4.787 8.884 514 HG21 ILE 65 HG21 ILE 65 16.368 8.951 9.312 515 HG22 ILE 65 HG22 ILE 65 16.895 7.986 7.933 516 HG23 ILE 65 HG23 ILE 65 17.840 7.984 9.422 517 HD11 ILE 65 HD11 ILE 65 18.274 6.192 7.957 518 HD12 ILE 65 HD12 ILE 65 16.835 5.880 6.976 519 HD13 ILE 65 HD13 ILE 65 17.810 4.533 7.571 520 H TYR 66 HN TYR 66 17.969 8.321 11.224 521 HA TYR 66 HA TYR 66 19.980 6.470 11.753 522 HB2 TYR 66 HB2 TYR 66 20.347 8.749 10.865 523 HB3 TYR 66 HB1 TYR 66 19.947 9.420 12.440 524 HD1 TYR 66 HD1 TYR 66 21.500 9.223 14.305 525 HD2 TYR 66 HD2 TYR 66 22.490 7.685 10.465 526 HE1 TYR 66 HE1 TYR 66 23.840 9.052 14.995 527 HE2 TYR 66 HE2 TYR 66 24.851 7.511 11.143 528 HH TYR 66 HH TYR 66 26.374 8.515 12.795 529 H GLU 67 HN GLU 67 18.386 8.671 14.089 530 HA GLU 67 HA GLU 67 19.756 7.740 16.370 531 HB2 GLU 67 HB2 GLU 67 17.179 9.258 16.019 532 HB3 GLU 67 HB1 GLU 67 17.793 8.828 17.609 533 HG2 GLU 67 HG2 GLU 67 19.845 10.074 17.156 534 HG3 GLU 67 HG1 GLU 67 19.229 10.505 15.561 535 H TRP 68 HN TRP 68 16.636 6.757 14.966 536 HA TRP 68 HA TRP 68 15.798 5.091 17.095 537 HB2 TRP 68 HB2 TRP 68 14.273 5.966 15.350 538 HB3 TRP 68 HB1 TRP 68 15.041 4.912 14.169 539 HD1 TRP 68 HD1 TRP 68 14.418 2.351 14.213 540 HE1 TRP 68 HE1 TRP 68 12.522 1.025 15.344 541 HE3 TRP 68 HE3 TRP 68 12.800 5.899 17.531 542 HZ2 TRP 68 HZ2 TRP 68 10.605 1.425 17.373 543 HZ3 TRP 68 HZ3 TRP 68 10.934 5.341 19.032 544 HH2 TRP 68 HH2 TRP 68 9.863 3.150 18.953 545 H THR 69 HN THR 69 17.378 4.258 13.993 546 HA THR 69 HA THR 69 17.618 1.484 14.484 547 HB THR 69 HB THR 69 19.436 1.564 12.719 548 HG1 THR 69 HG1 THR 69 18.778 4.322 12.867 549 HG21 THR 69 HG21 THR 69 16.783 2.847 12.056 550 HG22 THR 69 HG22 THR 69 17.119 1.116 12.117 551 HG23 THR 69 HG23 THR 69 17.887 2.121 10.887 552 H LYS 70 HN LYS 70 19.527 4.206 15.399 553 HA LYS 70 HA LYS 70 21.964 2.942 16.074 554 HB2 LYS 70 HB2 LYS 70 21.255 5.472 15.791 555 HB3 LYS 70 HB1 LYS 70 20.994 5.369 17.525 556 HG2 LYS 70 HG2 LYS 70 23.269 4.899 17.937 557 HG3 LYS 70 HG1 LYS 70 23.590 4.603 16.225 558 HD2 LYS 70 HD2 LYS 70 23.135 6.948 15.725 559 HD3 LYS 70 HD1 LYS 70 22.772 7.252 17.423 560 HE2 LYS 70 HE2 LYS 70 24.982 8.013 17.048 561 HE3 LYS 70 HE1 LYS 70 25.112 6.504 17.949 562 HZ1 LYS 70 HZ1 LYS 70 26.716 6.600 16.146 563 HZ2 LYS 70 HZ2 LYS 70 25.476 6.805 15.014 564 HZ3 LYS 70 HZ3 LYS 70 25.602 5.356 15.875 565 H ILE 71 HN ILE 71 19.055 3.658 17.968 566 HA ILE 71 HA ILE 71 20.185 2.597 20.424 567 HB ILE 71 HB ILE 71 17.298 3.383 20.018 568 HG12 ILE 71 HG12 ILE 71 18.557 5.324 19.298 569 HG13 ILE 71 HG11 ILE 71 17.873 5.651 20.879 570 HG21 ILE 71 HG21 ILE 71 17.727 2.180 22.071 571 HG22 ILE 71 HG22 ILE 71 17.343 3.863 22.429 572 HG23 ILE 71 HG23 ILE 71 19.015 3.307 22.497 573 HD11 ILE 71 HD11 ILE 71 20.071 5.270 21.902 574 HD12 ILE 71 HD12 ILE 71 20.124 6.546 20.686 575 HD13 ILE 71 HD13 ILE 71 20.751 4.941 20.308 576 H ASN 72 HN ASN 72 17.575 1.681 18.168 577 HA ASN 72 HA ASN 72 16.936 -0.738 19.578 578 HB2 ASN 72 HB2 ASN 72 16.067 0.420 16.942 579 HB3 ASN 72 HB1 ASN 72 15.571 -1.192 17.449 580 HD21 ASN 72 HD21 ASN 72 15.207 2.206 17.943 581 HD22 ASN 72 HD22 ASN 72 13.881 2.118 19.045 582 H GLY 73 HN GLY 73 19.038 0.075 16.900 583 HA2 GLY 73 HA2 GLY 73 19.524 -2.767 16.332 584 HA3 GLY 73 HA1 GLY 73 20.025 -1.417 15.324 585 H GLY 74 HN GLY 74 22.052 -0.693 15.485 586 HA2 GLY 74 HA2 GLY 74 23.618 -1.303 17.894 587 HA3 GLY 74 HA1 GLY 74 24.215 -1.869 16.341 588 H SER 75 HN SER 75 25.405 0.008 18.250 589 HA SER 75 HA SER 75 25.607 2.378 16.509 590 HB2 SER 75 HB2 SER 75 26.234 3.644 18.588 591 HB3 SER 75 HB1 SER 75 24.574 3.052 18.577 592 HG SER 75 HG SER 75 26.669 2.395 20.226 593 H GLY 76 HN GLY 76 27.622 3.176 16.037 594 HA2 GLY 76 HA2 GLY 76 30.045 2.994 17.058 595 HA3 GLY 76 HA1 GLY 76 29.847 1.336 16.514 596 H GLY 77 HN GLY 77 31.528 1.468 15.033 597 HA2 GLY 77 HA2 GLY 77 30.792 2.591 12.470 598 HA3 GLY 77 HA1 GLY 77 32.200 3.341 13.204 599 H SER 78 HN SER 78 31.004 0.001 12.868 600 HA SER 78 HA SER 78 33.704 -0.838 12.090 601 HB2 SER 78 HB2 SER 78 32.842 -3.153 12.547 602 HB3 SER 78 HB1 SER 78 32.823 -2.087 13.951 603 HG SER 78 HG SER 78 30.787 -3.391 12.826 604 H GLY 79 HN GLY 79 30.318 -1.068 11.046 605 HA2 GLY 79 HA2 GLY 79 29.859 -0.775 8.661 606 HA3 GLY 79 HA1 GLY 79 31.283 -1.750 8.338 607 H GLY 80 HN GLY 80 27.976 -1.798 9.522 608 HA2 GLY 80 HA2 GLY 80 27.920 -4.732 9.355 609 HA3 GLY 80 HA1 GLY 80 26.720 -3.727 10.153 610 H SER 81 HN SER 81 24.999 -4.679 9.076 611 HA SER 81 HA SER 81 24.746 -3.931 6.239 612 HB2 SER 81 HB2 SER 81 25.098 -6.401 6.555 613 HB3 SER 81 HB1 SER 81 23.593 -6.445 7.471 614 HG SER 81 HG SER 81 23.324 -6.980 5.239 615 H GLY 82 HN GLY 82 22.759 -3.175 5.570 616 HA2 GLY 82 HA2 GLY 82 20.833 -2.585 7.732 617 HA3 GLY 82 HA1 GLY 82 21.126 -1.533 6.355 618 H GLY 83 HN GLY 83 20.032 -1.850 4.479 619 HA2 GLY 83 HA2 GLY 83 18.801 -4.200 3.608 620 HA3 GLY 83 HA1 GLY 83 17.613 -3.312 4.549 621 H ASP 84 HN ASP 84 16.285 -2.956 2.774 622 HA ASP 84 HA ASP 84 17.318 -1.019 0.805 623 HB2 ASP 84 HB2 ASP 84 15.334 -3.263 0.415 624 HB3 ASP 84 HB1 ASP 84 15.533 -1.951 -0.742 625 H VAL 85 HN VAL 85 16.031 0.718 0.269 626 HA VAL 85 HA VAL 85 13.799 1.246 2.109 627 HB VAL 85 HB VAL 85 15.161 3.335 0.396 628 HG11 VAL 85 HG11 VAL 85 13.592 3.540 2.969 629 HG12 VAL 85 HG12 VAL 85 13.018 3.981 1.360 630 HG13 VAL 85 HG13 VAL 85 14.333 4.889 2.106 631 HG21 VAL 85 HG21 VAL 85 16.558 3.926 2.327 632 HG22 VAL 85 HG22 VAL 85 16.910 2.300 1.741 633 HG23 VAL 85 HG23 VAL 85 15.941 2.522 3.198 634 H MET 86 HN MET 86 11.784 1.582 1.398 635 HA MET 86 HA MET 86 11.312 1.583 -1.514 636 HB2 MET 86 HB2 MET 86 9.766 0.217 0.690 637 HB3 MET 86 HB1 MET 86 9.108 0.459 -0.921 638 HG2 MET 86 HG2 MET 86 11.634 -1.057 -0.308 639 HG3 MET 86 HG1 MET 86 10.055 -1.791 -0.569 640 HE1 MET 86 HE1 MET 86 12.671 -2.618 -2.202 641 HE2 MET 86 HE2 MET 86 12.009 -2.739 -3.832 642 HE3 MET 86 HE3 MET 86 11.086 -3.349 -2.459 643 H VAL 87 HN VAL 87 9.471 2.747 -2.273 644 HA VAL 87 HA VAL 87 8.849 5.090 -0.662 645 HB VAL 87 HB VAL 87 7.744 4.821 -3.414 646 HG11 VAL 87 HG11 VAL 87 8.370 7.189 -3.523 647 HG12 VAL 87 HG12 VAL 87 9.095 7.057 -1.922 648 HG13 VAL 87 HG13 VAL 87 7.359 6.830 -2.124 649 HG21 VAL 87 HG21 VAL 87 9.983 3.912 -3.750 650 HG22 VAL 87 HG22 VAL 87 10.686 5.305 -2.927 651 HG23 VAL 87 HG23 VAL 87 9.853 5.520 -4.466 652 H VAL 88 HN VAL 88 6.721 5.810 -0.261 653 HA VAL 88 HA VAL 88 4.835 3.808 0.406 654 HB VAL 88 HB VAL 88 4.070 6.709 0.096 655 HG11 VAL 88 HG11 VAL 88 2.636 6.280 2.003 656 HG12 VAL 88 HG12 VAL 88 3.276 4.644 2.143 657 HG13 VAL 88 HG13 VAL 88 2.323 5.098 0.732 658 HG21 VAL 88 HG21 VAL 88 6.236 6.699 1.243 659 HG22 VAL 88 HG22 VAL 88 5.603 5.553 2.425 660 HG23 VAL 88 HG23 VAL 88 4.933 7.182 2.327 661 H GLY 89 HN GLY 89 3.750 2.640 -1.021 662 HA2 GLY 89 HA2 GLY 89 3.225 3.357 -3.708 663 HA3 GLY 89 HA1 GLY 89 2.535 1.988 -2.856 664 H GLU 90 HN GLU 90 1.303 3.778 -4.799 665 HA GLU 90 HA GLU 90 -0.474 5.602 -3.575 666 HB2 GLU 90 HB2 GLU 90 -0.515 4.188 -6.232 667 HB3 GLU 90 HB1 GLU 90 -1.782 5.308 -5.752 668 HG2 GLU 90 HG2 GLU 90 -0.127 7.088 -5.526 669 HG3 GLU 90 HG1 GLU 90 1.147 5.965 -5.998 670 HA PRO 91 HA PRO 91 -3.215 2.464 -1.710 671 HB2 PRO 91 HB2 PRO 91 -4.901 4.780 -1.014 672 HB3 PRO 91 HB1 PRO 91 -4.169 3.570 0.043 673 HG2 PRO 91 HG2 PRO 91 -3.260 6.088 -0.033 674 HG3 PRO 91 HG1 PRO 91 -2.164 4.711 0.183 675 HD2 PRO 91 HD2 PRO 91 -2.722 6.321 -2.283 676 HD3 PRO 91 HD1 PRO 91 -1.177 5.708 -1.656 677 H THR 92 HN THR 92 -5.250 1.588 -2.136 678 HA THR 92 HA THR 92 -6.579 2.643 -4.542 679 HB THR 92 HB THR 92 -7.563 0.299 -4.698 680 HG1 THR 92 HG1 THR 92 -7.088 -1.006 -3.114 681 HG21 THR 92 HG21 THR 92 -5.762 1.048 -6.168 682 HG22 THR 92 HG22 THR 92 -5.544 -0.646 -5.728 683 HG23 THR 92 HG23 THR 92 -4.567 0.599 -4.951 684 H LEU 93 HN LEU 93 -8.491 3.548 -4.308 685 HA LEU 93 HA LEU 93 -9.901 3.676 -1.861 686 HB2 LEU 93 HB2 LEU 93 -10.705 4.418 -4.669 687 HB3 LEU 93 HB1 LEU 93 -11.704 4.739 -3.266 688 HG LEU 93 HG LEU 93 -9.509 5.966 -2.416 689 HD11 LEU 93 HD11 LEU 93 -9.276 6.140 -5.419 690 HD12 LEU 93 HD12 LEU 93 -8.135 5.349 -4.331 691 HD13 LEU 93 HD13 LEU 93 -8.359 7.096 -4.254 692 HD21 LEU 93 HD21 LEU 93 -11.684 7.008 -2.679 693 HD22 LEU 93 HD22 LEU 93 -11.444 7.115 -4.422 694 HD23 LEU 93 HD23 LEU 93 -10.421 8.051 -3.333 695 H MET 94 HN MET 94 -11.955 2.911 -1.298 696 HA MET 94 HA MET 94 -13.334 1.162 -0.791 697 HB2 MET 94 HB2 MET 94 -13.876 1.674 -3.708 698 HB3 MET 94 HB1 MET 94 -14.852 0.564 -2.757 699 HG2 MET 94 HG2 MET 94 -14.443 3.483 -2.140 700 HG3 MET 94 HG1 MET 94 -15.853 2.797 -2.945 701 HE1 MET 94 HE1 MET 94 -17.253 3.778 0.582 702 HE2 MET 94 HE2 MET 94 -17.444 3.957 -1.162 703 HE3 MET 94 HE3 MET 94 -16.037 4.649 -0.353 704 H GLY 95 HN GLY 95 -12.464 -0.683 -0.142 705 HA2 GLY 95 HA2 GLY 95 -11.399 -2.560 -2.151 706 HA3 GLY 95 HA1 GLY 95 -10.992 -2.567 -0.441 707 H GLY 96 HN GLY 96 -14.030 -2.612 -2.307 708 HA2 GLY 96 HA2 GLY 96 -14.937 -5.098 -2.162 709 HA3 GLY 96 HA1 GLY 96 -15.117 -4.615 -0.482 710 H GLU 97 HN GLU 97 -17.169 -5.388 -2.393 711 HA GLU 97 HA GLU 97 -18.772 -2.912 -2.381 712 HB2 GLU 97 HB2 GLU 97 -18.646 -5.084 -4.470 713 HB3 GLU 97 HB1 GLU 97 -20.000 -3.967 -4.362 714 HG2 GLU 97 HG2 GLU 97 -18.475 -2.087 -4.704 715 HG3 GLU 97 HG1 GLU 97 -17.120 -3.210 -4.815 716 H PHE 98 HN PHE 98 -20.980 -3.106 -1.981 717 HA PHE 98 HA PHE 98 -22.706 -3.709 -0.660 718 HB2 PHE 98 HB2 PHE 98 -22.627 -5.330 -2.812 719 HB3 PHE 98 HB1 PHE 98 -22.653 -6.518 -1.521 720 HD1 PHE 98 HD2 PHE 98 -24.449 -3.624 -2.949 721 HD2 PHE 98 HD1 PHE 98 -24.640 -6.983 -0.343 722 HE1 PHE 98 HE2 PHE 98 -26.886 -3.328 -2.750 723 HE2 PHE 98 HE1 PHE 98 -27.075 -6.693 -0.139 724 HZ PHE 98 HZ PHE 98 -28.201 -4.864 -1.344 725 H GLY 99 HN GLY 99 -22.016 -3.515 1.338 726 HA2 GLY 99 HA2 GLY 99 -21.241 -5.987 2.763 727 HA3 GLY 99 HA1 GLY 99 -20.504 -4.435 3.132 728 H ASP 100 HN ASP 100 -21.231 -4.953 5.328 729 HA ASP 100 HA ASP 100 -23.962 -3.978 5.769 730 HB2 ASP 100 HB2 ASP 100 -22.702 -6.408 7.054 731 HB3 ASP 100 HB1 ASP 100 -24.116 -5.599 7.723 732 H GLU 101 HN GLU 101 -23.053 -1.964 6.202 733 HA GLU 101 HA GLU 101 -21.190 -1.656 8.413 734 HB2 GLU 101 HB2 GLU 101 -22.434 0.282 6.471 735 HB3 GLU 101 HB1 GLU 101 -21.485 0.822 7.848 736 HG2 GLU 101 HG2 GLU 101 -19.559 -0.430 7.015 737 HG3 GLU 101 HG1 GLU 101 -20.512 -0.973 5.635 738 H ASP 102 HN ASP 102 -24.599 -1.150 7.747 739 HA ASP 102 HA ASP 102 -25.089 0.273 10.220 740 HB2 ASP 102 HB2 ASP 102 -26.311 0.506 7.908 741 HB3 ASP 102 HB1 ASP 102 -27.276 -0.840 8.502 742 H GLU 103 HN GLU 103 -25.278 -3.019 9.075 743 HA GLU 103 HA GLU 103 -26.903 -3.921 11.309 744 HB2 GLU 103 HB2 GLU 103 -26.731 -4.825 8.794 745 HB3 GLU 103 HB1 GLU 103 -25.525 -5.867 9.536 746 HG2 GLU 103 HG2 GLU 103 -27.186 -6.648 11.148 747 HG3 GLU 103 HG1 GLU 103 -28.396 -5.604 10.404 748 H ARG 104 HN ARG 104 -23.533 -3.775 10.428 749 HA ARG 104 HA ARG 104 -22.723 -5.561 12.589 750 HB2 ARG 104 HB2 ARG 104 -21.215 -4.172 10.383 751 HB3 ARG 104 HB1 ARG 104 -20.390 -4.994 11.698 752 HG2 ARG 104 HG2 ARG 104 -21.516 -7.088 11.080 753 HG3 ARG 104 HG1 ARG 104 -22.302 -6.254 9.739 754 HD2 ARG 104 HD2 ARG 104 -20.441 -7.362 8.805 755 HD3 ARG 104 HD1 ARG 104 -19.983 -5.664 8.918 756 HE ARG 104 HE ARG 104 -19.156 -7.098 11.227 757 HH11 ARG 104 HH11 ARG 104 -18.275 -6.578 7.866 758 HH12 ARG 104 HH12 ARG 104 -16.601 -6.931 8.131 759 HH21 ARG 104 HH21 ARG 104 -16.960 -7.556 11.550 760 HH22 ARG 104 HH22 ARG 104 -15.858 -7.486 10.215 761 H LEU 105 HN LEU 105 -23.517 -2.353 12.351 762 HA LEU 105 HA LEU 105 -21.484 -1.364 14.195 763 HB2 LEU 105 HB2 LEU 105 -22.489 -0.112 12.135 764 HB3 LEU 105 HB1 LEU 105 -23.820 0.244 13.214 765 HG LEU 105 HG LEU 105 -21.070 0.906 14.157 766 HD11 LEU 105 HD11 LEU 105 -21.037 1.705 11.863 767 HD12 LEU 105 HD12 LEU 105 -21.143 3.059 12.988 768 HD13 LEU 105 HD13 LEU 105 -22.576 2.529 12.110 769 HD21 LEU 105 HD21 LEU 105 -23.746 2.287 14.374 770 HD22 LEU 105 HD22 LEU 105 -22.253 2.800 15.159 771 HD23 LEU 105 HD23 LEU 105 -23.003 1.268 15.607 772 H ILE 106 HN ILE 106 -25.000 -1.881 14.082 773 HA ILE 106 HA ILE 106 -25.182 -1.288 16.946 774 HB ILE 106 HB ILE 106 -27.696 -1.500 16.561 775 HG12 ILE 106 HG12 ILE 106 -27.334 -0.801 13.705 776 HG13 ILE 106 HG11 ILE 106 -27.043 -2.492 14.099 777 HG21 ILE 106 HG21 ILE 106 -26.590 0.623 16.898 778 HG22 ILE 106 HG22 ILE 106 -27.858 0.788 15.685 779 HG23 ILE 106 HG23 ILE 106 -26.169 0.704 15.187 780 HD11 ILE 106 HD11 ILE 106 -29.337 -2.130 13.396 781 HD12 ILE 106 HD12 ILE 106 -29.562 -0.949 14.685 782 HD13 ILE 106 HD13 ILE 106 -29.274 -2.644 15.081 783 H THR 107 HN THR 107 -25.330 -2.817 18.420 784 HA THR 107 HA THR 107 -26.367 -5.466 17.704 785 HB THR 107 HB THR 107 -24.526 -6.488 19.138 786 HG1 THR 107 HG1 THR 107 -23.891 -4.044 19.603 787 HG21 THR 107 HG21 THR 107 -24.572 -6.745 16.708 788 HG22 THR 107 HG22 THR 107 -22.915 -6.564 17.287 789 HG23 THR 107 HG23 THR 107 -23.735 -5.203 16.520 790 H ARG 108 HN ARG 108 -27.505 -6.471 19.287 791 HA ARG 108 HA ARG 108 -27.995 -4.927 21.731 792 HB2 ARG 108 HB2 ARG 108 -29.594 -7.043 20.301 793 HB3 ARG 108 HB1 ARG 108 -29.989 -6.521 21.932 794 HG2 ARG 108 HG2 ARG 108 -30.296 -4.233 21.125 795 HG3 ARG 108 HG1 ARG 108 -29.904 -4.763 19.487 796 HD2 ARG 108 HD2 ARG 108 -31.831 -6.270 19.517 797 HD3 ARG 108 HD1 ARG 108 -32.220 -5.741 21.153 798 HE ARG 108 HE ARG 108 -32.099 -3.491 19.484 799 HH11 ARG 108 HH11 ARG 108 -34.148 -6.301 19.981 800 HH12 ARG 108 HH12 ARG 108 -35.572 -5.507 19.400 801 HH21 ARG 108 HH21 ARG 108 -33.977 -2.473 18.729 802 HH22 ARG 108 HH22 ARG 108 -35.475 -3.341 18.692 803 H LEU 109 HN LEU 109 -27.231 -8.224 20.653 804 HA LEU 109 HA LEU 109 -26.386 -8.862 23.406 805 HB2 LEU 109 HB2 LEU 109 -27.568 -10.663 21.295 806 HB3 LEU 109 HB1 LEU 109 -26.796 -11.266 22.748 807 HG LEU 109 HG LEU 109 -28.573 -9.671 23.920 808 HD11 LEU 109 HD11 LEU 109 -29.490 -8.802 21.830 809 HD12 LEU 109 HD12 LEU 109 -30.704 -9.703 22.737 810 HD13 LEU 109 HD13 LEU 109 -29.925 -10.437 21.335 811 HD21 LEU 109 HD21 LEU 109 -29.187 -12.405 22.807 812 HD22 LEU 109 HD22 LEU 109 -30.045 -11.621 24.133 813 HD23 LEU 109 HD23 LEU 109 -28.346 -12.055 24.317 814 H GLU 110 HN GLU 110 -24.466 -9.978 23.701 815 HA GLU 110 HA GLU 110 -22.745 -10.281 21.333 816 HB2 GLU 110 HB2 GLU 110 -22.089 -9.000 23.981 817 HB3 GLU 110 HB1 GLU 110 -20.834 -9.594 22.904 818 HG2 GLU 110 HG2 GLU 110 -21.617 -8.080 21.154 819 HG3 GLU 110 HG1 GLU 110 -22.877 -7.485 22.235 820 H ASN 111 HN ASN 111 -24.365 -12.185 22.967 821 HA ASN 111 HA ASN 111 -22.271 -13.914 24.084 822 HB2 ASN 111 HB2 ASN 111 -25.277 -13.931 24.381 823 HB3 ASN 111 HB1 ASN 111 -24.252 -15.239 24.963 824 HD21 ASN 111 HD21 ASN 111 -22.883 -14.875 26.710 825 HD22 ASN 111 HD22 ASN 111 -23.083 -13.522 27.765 826 H THR 112 HN THR 112 -21.675 -15.757 23.139 827 HA THR 112 HA THR 112 -23.036 -16.541 20.653 828 HB THR 112 HB THR 112 -20.911 -17.890 20.253 829 HG1 THR 112 HG1 THR 112 -19.734 -17.954 22.033 830 HG21 THR 112 HG21 THR 112 -21.355 -15.790 19.084 831 HG22 THR 112 HG22 THR 112 -19.641 -15.942 19.469 832 HG23 THR 112 HG23 THR 112 -20.670 -14.884 20.434 833 H GLN 113 HN GLN 113 -23.698 -18.624 20.280 834 HA GLN 113 HA GLN 113 -23.736 -20.416 22.621 835 HB2 GLN 113 HB2 GLN 113 -25.771 -19.972 20.442 836 HB3 GLN 113 HB1 GLN 113 -25.804 -21.395 21.474 837 HG2 GLN 113 HG2 GLN 113 -26.027 -19.961 23.442 838 HG3 GLN 113 HG1 GLN 113 -26.002 -18.537 22.403 839 HE21 GLN 113 HE21 GLN 113 -27.781 -18.085 21.104 840 HE22 GLN 113 HE22 GLN 113 -29.323 -18.819 21.369 841 H PHE 114 HN PHE 114 -23.492 -22.650 22.293 842 HA PHE 114 HA PHE 114 -21.942 -23.331 19.900 843 HB2 PHE 114 HB2 PHE 114 -22.191 -24.665 22.600 844 HB3 PHE 114 HB1 PHE 114 -21.322 -25.383 21.249 845 HD1 PHE 114 HD2 PHE 114 -19.209 -24.470 20.501 846 HD2 PHE 114 HD1 PHE 114 -21.315 -22.739 23.769 847 HE1 PHE 114 HE2 PHE 114 -17.186 -23.224 21.140 848 HE2 PHE 114 HE1 PHE 114 -19.296 -21.490 24.414 849 HZ PHE 114 HZ PHE 114 -17.227 -21.732 23.099 850 H ASP 115 HN ASP 115 -22.551 -24.849 18.464 851 HA ASP 115 HA ASP 115 -25.241 -25.981 18.761 852 HB2 ASP 115 HB2 ASP 115 -23.492 -25.522 16.342 853 HB3 ASP 115 HB1 ASP 115 -24.991 -26.443 16.277 854 H ALA 116 HN ALA 116 -25.665 -28.152 18.501 855 HA ALA 116 HA ALA 116 -23.362 -29.931 18.867 856 HB1 ALA 116 HB1 ALA 116 -25.093 -29.995 20.597 857 HB2 ALA 116 HB2 ALA 116 -24.957 -31.541 19.759 858 HB3 ALA 116 HB3 ALA 116 -26.289 -30.447 19.382 859 H ALA 117 HN ALA 117 -23.134 -31.845 17.685 860 HA ALA 117 HA ALA 117 -24.349 -31.760 15.020 861 HB1 ALA 117 HB1 ALA 117 -21.969 -33.337 15.994 862 HB2 ALA 117 HB2 ALA 117 -21.903 -31.793 15.146 863 HB3 ALA 117 HB3 ALA 117 -22.531 -33.223 14.327 864 H ASN 118 HN ASN 118 -23.822 -33.984 17.735 865 HA ASN 118 HA ASN 118 -25.887 -35.760 16.606 866 HB2 ASN 118 HB2 ASN 118 -23.393 -36.471 18.156 867 HB3 ASN 118 HB1 ASN 118 -24.723 -37.599 17.913 868 HD21 ASN 118 HD21 ASN 118 -25.117 -38.417 15.858 869 HD22 ASN 118 HD22 ASN 118 -23.948 -38.318 14.591 870 H GLY 119 HN GLY 119 -27.548 -36.344 17.890 871 HA2 GLY 119 HA2 GLY 119 -27.786 -36.672 20.556 872 HA3 GLY 119 HA1 GLY 119 -27.878 -34.925 20.394 873 H ILE 120 HN ILE 120 -29.586 -34.027 19.078 874 HA ILE 120 HA ILE 120 -31.973 -35.750 19.055 875 HB ILE 120 HB ILE 120 -33.256 -33.525 19.034 876 HG12 ILE 120 HG12 ILE 120 -31.802 -31.821 20.500 877 HG13 ILE 120 HG11 ILE 120 -30.485 -32.548 19.586 878 HG21 ILE 120 HG21 ILE 120 -31.720 -34.365 21.484 879 HG22 ILE 120 HG22 ILE 120 -33.249 -35.035 20.914 880 HG23 ILE 120 HG23 ILE 120 -33.174 -33.366 21.480 881 HD11 ILE 120 HD11 ILE 120 -32.901 -31.182 18.422 882 HD12 ILE 120 HD12 ILE 120 -31.585 -31.910 17.502 883 HD13 ILE 120 HD13 ILE 120 -31.273 -30.513 18.531 884 H ASP 121 HN ASP 121 -33.173 -35.995 17.260 885 HA ASP 121 HA ASP 121 -32.424 -34.461 14.861 886 HB2 ASP 121 HB2 ASP 121 -32.830 -37.445 15.092 887 HB3 ASP 121 HB1 ASP 121 -32.850 -36.595 13.551 888 H ASP 122 HN ASP 122 -34.898 -36.461 16.432 889 HA ASP 122 HA ASP 122 -36.956 -35.245 14.719 890 HB2 ASP 122 HB2 ASP 122 -36.968 -37.756 16.399 891 HB3 ASP 122 HB1 ASP 122 -38.424 -37.085 15.672 892 H GLU 123 HN GLU 123 -38.408 -33.873 15.520 893 HA GLU 123 HA GLU 123 -38.374 -33.350 18.415 894 HB2 GLU 123 HB2 GLU 123 -37.831 -31.564 16.535 895 HB3 GLU 123 HB1 GLU 123 -39.583 -31.438 16.459 896 HG2 GLU 123 HG2 GLU 123 -39.647 -30.881 18.837 897 HG3 GLU 123 HG1 GLU 123 -37.891 -31.013 18.915 Start of MODEL 12 1 H TYR 1 HT1 TYR 1 -30.477 -0.030 -7.073 2 HA TYR 1 HA TYR 1 -28.113 -0.388 -7.190 3 HB2 TYR 1 HB2 TYR 1 -27.932 1.599 -8.884 4 HB3 TYR 1 HB1 TYR 1 -27.725 2.582 -7.439 5 HD1 TYR 1 HD2 TYR 1 -26.221 0.014 -9.573 6 HD2 TYR 1 HD1 TYR 1 -25.713 2.395 -6.084 7 HE1 TYR 1 HE2 TYR 1 -23.828 -0.552 -9.543 8 HE2 TYR 1 HE1 TYR 1 -23.319 1.836 -6.045 9 HH TYR 1 HH TYR 1 -21.825 0.069 -6.877 10 H LEU 2 HN LEU 2 -27.313 -0.626 -5.202 11 HA LEU 2 HA LEU 2 -28.060 1.317 -3.119 12 HB2 LEU 2 HB2 LEU 2 -28.099 -1.696 -2.930 13 HB3 LEU 2 HB1 LEU 2 -28.198 -0.636 -1.538 14 HG LEU 2 HG LEU 2 -30.203 -0.303 -3.730 15 HD11 LEU 2 HD11 LEU 2 -30.171 -2.703 -3.358 16 HD12 LEU 2 HD12 LEU 2 -31.637 -1.992 -2.684 17 HD13 LEU 2 HD13 LEU 2 -30.310 -2.452 -1.618 18 HD21 LEU 2 HD21 LEU 2 -30.168 1.279 -1.870 19 HD22 LEU 2 HD22 LEU 2 -30.333 -0.051 -0.724 20 HD23 LEU 2 HD23 LEU 2 -31.643 0.311 -1.848 21 H ARG 3 HN ARG 3 -26.531 1.795 -1.602 22 HA ARG 3 HA ARG 3 -23.804 1.445 -2.266 23 HB2 ARG 3 HB2 ARG 3 -25.164 2.503 0.211 24 HB3 ARG 3 HB1 ARG 3 -23.416 2.467 0.036 25 HG2 ARG 3 HG2 ARG 3 -23.863 4.608 -0.634 26 HG3 ARG 3 HG1 ARG 3 -23.925 3.772 -2.187 27 HD2 ARG 3 HD2 ARG 3 -26.364 3.635 -2.013 28 HD3 ARG 3 HD1 ARG 3 -26.302 4.464 -0.457 29 HE ARG 3 HE ARG 3 -25.022 6.038 -2.409 30 HH11 ARG 3 HH11 ARG 3 -28.259 5.018 -1.502 31 HH12 ARG 3 HH12 ARG 3 -29.013 6.426 -2.174 32 HH21 ARG 3 HH21 ARG 3 -26.032 7.870 -3.280 33 HH22 ARG 3 HH22 ARG 3 -27.753 8.039 -3.179 34 H LEU 4 HN LEU 4 -22.136 0.358 -1.173 35 HA LEU 4 HA LEU 4 -22.990 -1.885 0.538 36 HB2 LEU 4 HB2 LEU 4 -20.919 -1.885 -1.658 37 HB3 LEU 4 HB1 LEU 4 -21.093 -3.180 -0.490 38 HG LEU 4 HG LEU 4 -23.595 -3.172 -1.402 39 HD11 LEU 4 HD11 LEU 4 -23.275 -1.287 -2.913 40 HD12 LEU 4 HD12 LEU 4 -23.641 -2.760 -3.810 41 HD13 LEU 4 HD13 LEU 4 -21.985 -2.158 -3.742 42 HD21 LEU 4 HD21 LEU 4 -22.931 -4.951 -2.956 43 HD22 LEU 4 HD22 LEU 4 -22.102 -5.086 -1.405 44 HD23 LEU 4 HD23 LEU 4 -21.249 -4.441 -2.808 45 H PHE 5 HN PHE 5 -21.635 -2.483 2.213 46 HA PHE 5 HA PHE 5 -19.315 -0.745 2.733 47 HB2 PHE 5 HB2 PHE 5 -21.531 -0.297 4.074 48 HB3 PHE 5 HB1 PHE 5 -21.038 -1.717 4.989 49 HD1 PHE 5 HD1 PHE 5 -19.083 -1.661 6.417 50 HD2 PHE 5 HD2 PHE 5 -20.285 1.771 4.206 51 HE1 PHE 5 HE1 PHE 5 -17.606 -0.258 7.798 52 HE2 PHE 5 HE2 PHE 5 -18.811 3.179 5.583 53 HZ PHE 5 HZ PHE 5 -17.468 2.164 7.381 54 H GLY 6 HN GLY 6 -17.505 -1.760 3.353 55 HA2 GLY 6 HA2 GLY 6 -16.960 -3.836 4.925 56 HA3 GLY 6 HA1 GLY 6 -17.540 -4.673 3.494 57 H GLN 7 HN GLN 7 -14.950 -4.952 4.575 58 HA GLN 7 HA GLN 7 -13.312 -3.713 2.472 59 HB2 GLN 7 HB2 GLN 7 -12.738 -4.258 5.358 60 HB3 GLN 7 HB1 GLN 7 -11.381 -4.220 4.206 61 HG2 GLN 7 HG2 GLN 7 -11.832 -1.946 3.680 62 HG3 GLN 7 HG1 GLN 7 -13.415 -1.990 4.444 63 HE21 GLN 7 HE21 GLN 7 -10.828 -0.384 4.791 64 HE22 GLN 7 HE22 GLN 7 -10.573 -0.398 6.500 65 H ASP 8 HN ASP 8 -11.098 -5.128 2.287 66 HA ASP 8 HA ASP 8 -11.783 -7.980 2.218 67 HB2 ASP 8 HB2 ASP 8 -10.958 -6.339 -0.167 68 HB3 ASP 8 HB1 ASP 8 -10.835 -8.095 -0.132 69 H GLY 9 HN GLY 9 -9.396 -5.550 2.645 70 HA2 GLY 9 HA2 GLY 9 -7.187 -7.449 2.288 71 HA3 GLY 9 HA1 GLY 9 -7.034 -5.712 2.432 72 H LEU 10 HN LEU 10 -7.657 -8.665 4.259 73 HA LEU 10 HA LEU 10 -7.676 -7.775 6.862 74 HB2 LEU 10 HB2 LEU 10 -6.396 -10.258 5.726 75 HB3 LEU 10 HB1 LEU 10 -6.460 -9.954 7.444 76 HG LEU 10 HG LEU 10 -8.147 -11.556 6.779 77 HD11 LEU 10 HD11 LEU 10 -8.809 -10.370 8.666 78 HD12 LEU 10 HD12 LEU 10 -10.218 -10.359 7.607 79 HD13 LEU 10 HD13 LEU 10 -9.206 -8.924 7.742 80 HD21 LEU 10 HD21 LEU 10 -8.634 -11.114 4.541 81 HD22 LEU 10 HD22 LEU 10 -9.064 -9.437 4.866 82 HD23 LEU 10 HD23 LEU 10 -10.125 -10.740 5.406 83 H CYS 11 HN CYS 11 -6.381 -6.655 8.109 84 HA CYS 11 HA CYS 11 -3.826 -5.705 7.342 85 HB2 CYS 11 HB2 CYS 11 -5.411 -4.531 8.873 86 HB3 CYS 11 HB1 CYS 11 -5.032 -5.725 10.107 87 H ALA 12 HN ALA 12 -1.800 -6.101 8.152 88 HA ALA 12 HA ALA 12 -1.117 -8.781 8.759 89 HB1 ALA 12 HB1 ALA 12 1.026 -8.126 8.448 90 HB2 ALA 12 HB2 ALA 12 0.831 -6.661 9.409 91 HB3 ALA 12 HB3 ALA 12 0.239 -6.709 7.750 92 H SER 13 HN SER 13 -1.530 -5.909 10.752 93 HA SER 13 HA SER 13 -0.754 -7.355 13.169 94 HB2 SER 13 HB2 SER 13 -1.235 -4.449 12.551 95 HB3 SER 13 HB1 SER 13 -1.132 -5.028 14.215 96 HG SER 13 HG SER 13 0.899 -4.344 13.442 97 H CYS 14 HN CYS 14 -3.568 -5.671 11.778 98 HA CYS 14 HA CYS 14 -5.242 -6.578 14.010 99 HB2 CYS 14 HB2 CYS 14 -6.274 -4.933 11.718 100 HB3 CYS 14 HB1 CYS 14 -6.845 -4.998 13.376 101 H ASP 15 HN ASP 15 -7.250 -7.664 13.619 102 HA ASP 15 HA ASP 15 -7.106 -9.538 11.382 103 HB2 ASP 15 HB2 ASP 15 -8.787 -9.455 13.898 104 HB3 ASP 15 HB1 ASP 15 -9.029 -10.651 12.630 105 H LYS 16 HN LYS 16 -7.829 -6.713 11.006 106 HA LYS 16 HA LYS 16 -10.585 -6.984 9.992 107 HB2 LYS 16 HB2 LYS 16 -9.114 -4.444 10.726 108 HB3 LYS 16 HB1 LYS 16 -10.752 -4.534 10.111 109 HG2 LYS 16 HG2 LYS 16 -10.064 -5.980 12.623 110 HG3 LYS 16 HG1 LYS 16 -10.284 -4.230 12.663 111 HD2 LYS 16 HD2 LYS 16 -12.519 -4.497 11.684 112 HD3 LYS 16 HD1 LYS 16 -12.296 -6.248 11.653 113 HE2 LYS 16 HE2 LYS 16 -12.085 -6.262 14.090 114 HE3 LYS 16 HE1 LYS 16 -12.304 -4.513 14.122 115 HZ1 LYS 16 HZ1 LYS 16 -14.514 -4.809 13.188 116 HZ2 LYS 16 HZ2 LYS 16 -14.359 -5.668 14.637 117 HZ3 LYS 16 HZ3 LYS 16 -14.303 -6.489 13.160 118 H ARG 17 HN ARG 17 -10.994 -6.563 7.905 119 HA ARG 17 HA ARG 17 -8.897 -6.694 6.011 120 HB2 ARG 17 HB2 ARG 17 -11.733 -5.927 5.391 121 HB3 ARG 17 HB1 ARG 17 -10.589 -6.754 4.353 122 HG2 ARG 17 HG2 ARG 17 -10.682 -8.618 6.134 123 HG3 ARG 17 HG1 ARG 17 -12.145 -7.812 6.684 124 HD2 ARG 17 HD2 ARG 17 -12.899 -7.954 4.235 125 HD3 ARG 17 HD1 ARG 17 -11.596 -9.130 4.050 126 HE ARG 17 HE ARG 17 -13.132 -9.877 6.259 127 HH11 ARG 17 HH11 ARG 17 -13.500 -9.669 2.772 128 HH12 ARG 17 HH12 ARG 17 -14.667 -10.948 2.704 129 HH21 ARG 17 HH21 ARG 17 -14.661 -11.547 6.145 130 HH22 ARG 17 HH22 ARG 17 -15.322 -12.009 4.613 131 H ILE 18 HN ILE 18 -8.385 -5.146 4.296 132 HA ILE 18 HA ILE 18 -8.620 -2.343 5.184 133 HB ILE 18 HB ILE 18 -6.266 -3.825 4.000 134 HG12 ILE 18 HG12 ILE 18 -6.613 -2.221 6.532 135 HG13 ILE 18 HG11 ILE 18 -6.654 -3.974 6.434 136 HG21 ILE 18 HG21 ILE 18 -6.309 -0.858 4.510 137 HG22 ILE 18 HG22 ILE 18 -6.546 -1.573 2.915 138 HG23 ILE 18 HG23 ILE 18 -5.024 -1.814 3.771 139 HD11 ILE 18 HD11 ILE 18 -4.513 -3.138 7.287 140 HD12 ILE 18 HD12 ILE 18 -4.254 -2.286 5.765 141 HD13 ILE 18 HD13 ILE 18 -4.335 -4.047 5.787 142 H ARG 19 HN ARG 19 -10.185 -1.598 3.929 143 HA ARG 19 HA ARG 19 -9.647 -1.156 1.116 144 HB2 ARG 19 HB2 ARG 19 -11.348 -3.269 1.794 145 HB3 ARG 19 HB1 ARG 19 -12.431 -1.961 1.342 146 HG2 ARG 19 HG2 ARG 19 -10.139 -2.661 -0.444 147 HG3 ARG 19 HG1 ARG 19 -11.587 -3.664 -0.444 148 HD2 ARG 19 HD2 ARG 19 -12.942 -1.654 -0.925 149 HD3 ARG 19 HD1 ARG 19 -11.460 -0.703 -1.005 150 HE ARG 19 HE ARG 19 -11.025 -2.688 -2.796 151 HH11 ARG 19 HH11 ARG 19 -13.640 -0.373 -2.418 152 HH12 ARG 19 HH12 ARG 19 -14.000 -0.330 -4.111 153 HH21 ARG 19 HH21 ARG 19 -11.514 -2.616 -5.008 154 HH22 ARG 19 HH22 ARG 19 -12.798 -1.600 -5.575 155 H ALA 20 HN ALA 20 -11.082 0.488 0.155 156 HA ALA 20 HA ALA 20 -11.947 2.582 0.131 157 HB1 ALA 20 HB1 ALA 20 -13.782 1.512 2.271 158 HB2 ALA 20 HB2 ALA 20 -13.971 1.252 0.537 159 HB3 ALA 20 HB3 ALA 20 -14.091 2.881 1.200 160 H TYR 21 HN TYR 21 -12.543 2.197 3.639 161 HA TYR 21 HA TYR 21 -11.590 4.784 4.296 162 HB2 TYR 21 HB2 TYR 21 -13.229 3.459 5.657 163 HB3 TYR 21 HB1 TYR 21 -11.913 2.404 6.150 164 HD1 TYR 21 HD2 TYR 21 -10.094 3.303 7.640 165 HD2 TYR 21 HD1 TYR 21 -13.573 5.579 6.695 166 HE1 TYR 21 HE2 TYR 21 -9.632 4.788 9.541 167 HE2 TYR 21 HE1 TYR 21 -13.116 7.070 8.596 168 HH TYR 21 HH TYR 21 -11.903 7.007 10.736 169 H GLU 22 HN GLU 22 -10.019 1.812 3.793 170 HA GLU 22 HA GLU 22 -7.894 1.444 5.275 171 HB2 GLU 22 HB2 GLU 22 -6.565 0.968 3.144 172 HB3 GLU 22 HB1 GLU 22 -8.061 0.092 3.404 173 HG2 GLU 22 HG2 GLU 22 -9.204 1.370 1.780 174 HG3 GLU 22 HG1 GLU 22 -7.908 2.554 1.696 175 H MET 23 HN MET 23 -7.597 3.883 2.631 176 HA MET 23 HA MET 23 -5.974 5.535 2.275 177 HB2 MET 23 HB2 MET 23 -6.861 6.062 5.120 178 HB3 MET 23 HB1 MET 23 -6.033 7.217 4.099 179 HG2 MET 23 HG2 MET 23 -8.762 6.045 3.616 180 HG3 MET 23 HG1 MET 23 -8.409 7.680 4.165 181 HE1 MET 23 HE1 MET 23 -9.956 8.656 2.229 182 HE2 MET 23 HE2 MET 23 -10.305 7.015 1.686 183 HE3 MET 23 HE3 MET 23 -9.772 8.232 0.528 184 H THR 24 HN THR 24 -4.320 3.847 2.204 185 HA THR 24 HA THR 24 -2.133 4.265 3.973 186 HB THR 24 HB THR 24 -3.416 2.658 5.339 187 HG1 THR 24 HG1 THR 24 -0.860 2.437 4.568 188 HG21 THR 24 HG21 THR 24 -2.830 0.537 3.295 189 HG22 THR 24 HG22 THR 24 -4.371 1.387 3.344 190 HG23 THR 24 HG23 THR 24 -3.854 0.424 4.727 191 H MET 25 HN MET 25 -0.457 2.224 3.370 192 HA MET 25 HA MET 25 -0.547 2.169 0.457 193 HB2 MET 25 HB2 MET 25 1.946 2.180 0.468 194 HB3 MET 25 HB1 MET 25 1.209 3.646 1.091 195 HG2 MET 25 HG2 MET 25 3.125 3.058 2.433 196 HG3 MET 25 HG1 MET 25 1.660 2.872 3.390 197 HE1 MET 25 HE1 MET 25 4.708 1.349 1.795 198 HE2 MET 25 HE2 MET 25 3.612 0.419 0.775 199 HE3 MET 25 HE3 MET 25 4.561 -0.390 2.021 200 H ARG 26 HN ARG 26 0.744 0.384 -0.567 201 HA ARG 26 HA ARG 26 0.227 -2.123 0.866 202 HB2 ARG 26 HB2 ARG 26 -0.605 -1.493 -1.571 203 HB3 ARG 26 HB1 ARG 26 1.004 -2.035 -2.023 204 HG2 ARG 26 HG2 ARG 26 0.562 -4.208 -0.998 205 HG3 ARG 26 HG1 ARG 26 -1.054 -3.662 -0.543 206 HD2 ARG 26 HD2 ARG 26 -1.607 -3.340 -2.903 207 HD3 ARG 26 HD1 ARG 26 0.008 -3.881 -3.358 208 HE ARG 26 HE ARG 26 -1.185 -5.865 -1.788 209 HH11 ARG 26 HH11 ARG 26 -1.584 -4.448 -4.976 210 HH12 ARG 26 HH12 ARG 26 -2.255 -5.890 -5.660 211 HH21 ARG 26 HH21 ARG 26 -2.067 -7.743 -2.704 212 HH22 ARG 26 HH22 ARG 26 -2.529 -7.753 -4.374 213 H VAL 27 HN VAL 27 1.860 -3.213 1.719 214 HA VAL 27 HA VAL 27 4.606 -2.442 1.109 215 HB VAL 27 HB VAL 27 4.006 -4.565 3.143 216 HG11 VAL 27 HG11 VAL 27 5.777 -3.274 4.398 217 HG12 VAL 27 HG12 VAL 27 5.990 -2.308 2.938 218 HG13 VAL 27 HG13 VAL 27 6.302 -4.043 2.902 219 HG21 VAL 27 HG21 VAL 27 3.233 -1.682 3.422 220 HG22 VAL 27 HG22 VAL 27 3.736 -2.621 4.826 221 HG23 VAL 27 HG23 VAL 27 2.333 -3.128 3.882 222 H LYS 28 HN LYS 28 6.159 -4.556 1.363 223 HA LYS 28 HA LYS 28 6.192 -5.851 -1.045 224 HB2 LYS 28 HB2 LYS 28 7.418 -6.497 1.604 225 HB3 LYS 28 HB1 LYS 28 7.622 -7.606 0.256 226 HG2 LYS 28 HG2 LYS 28 8.606 -5.792 -1.072 227 HG3 LYS 28 HG1 LYS 28 8.426 -4.703 0.306 228 HD2 LYS 28 HD2 LYS 28 9.902 -6.135 1.631 229 HD3 LYS 28 HD1 LYS 28 10.076 -7.231 0.259 230 HE2 LYS 28 HE2 LYS 28 11.075 -5.412 -1.051 231 HE3 LYS 28 HE1 LYS 28 10.917 -4.335 0.336 232 HZ1 LYS 28 HZ1 LYS 28 12.404 -5.774 1.581 233 HZ2 LYS 28 HZ2 LYS 28 13.151 -5.237 0.161 234 HZ3 LYS 28 HZ3 LYS 28 12.551 -6.815 0.255 235 H ASP 29 HN ASP 29 5.232 -7.548 1.994 236 HA ASP 29 HA ASP 29 3.596 -9.335 0.308 237 HB2 ASP 29 HB2 ASP 29 5.272 -9.986 2.728 238 HB3 ASP 29 HB1 ASP 29 4.023 -11.069 2.122 239 H LYS 30 HN LYS 30 3.871 -7.703 3.413 240 HA LYS 30 HA LYS 30 1.113 -8.424 4.101 241 HB2 LYS 30 HB2 LYS 30 3.306 -7.143 5.742 242 HB3 LYS 30 HB1 LYS 30 1.695 -7.501 6.336 243 HG2 LYS 30 HG2 LYS 30 2.047 -9.826 6.214 244 HG3 LYS 30 HG1 LYS 30 3.494 -9.630 5.225 245 HD2 LYS 30 HD2 LYS 30 4.504 -8.411 7.217 246 HD3 LYS 30 HD1 LYS 30 3.137 -9.023 8.150 247 HE2 LYS 30 HE2 LYS 30 3.763 -11.314 7.543 248 HE3 LYS 30 HE1 LYS 30 5.135 -10.692 6.626 249 HZ1 LYS 30 HZ1 LYS 30 6.041 -9.780 8.673 250 HZ2 LYS 30 HZ2 LYS 30 5.809 -11.449 8.816 251 HZ3 LYS 30 HZ3 LYS 30 4.725 -10.380 9.553 252 H VAL 31 HN VAL 31 -0.389 -6.827 4.805 253 HA VAL 31 HA VAL 31 0.151 -4.101 3.801 254 HB VAL 31 HB VAL 31 -2.627 -5.293 3.891 255 HG11 VAL 31 HG11 VAL 31 -1.454 -2.981 2.341 256 HG12 VAL 31 HG12 VAL 31 -2.503 -2.866 3.754 257 HG13 VAL 31 HG13 VAL 31 -3.126 -3.535 2.245 258 HG21 VAL 31 HG21 VAL 31 -0.755 -5.319 1.520 259 HG22 VAL 31 HG22 VAL 31 -2.465 -5.751 1.485 260 HG23 VAL 31 HG23 VAL 31 -1.326 -6.731 2.410 261 H TYR 32 HN TYR 32 -0.276 -2.433 5.163 262 HA TYR 32 HA TYR 32 -1.502 -3.084 7.769 263 HB2 TYR 32 HB2 TYR 32 0.820 -1.226 7.205 264 HB3 TYR 32 HB1 TYR 32 0.049 -1.417 8.772 265 HD1 TYR 32 HD1 TYR 32 2.041 -3.195 6.196 266 HD2 TYR 32 HD2 TYR 32 0.665 -3.173 10.223 267 HE1 TYR 32 HE1 TYR 32 3.590 -5.033 6.719 268 HE2 TYR 32 HE2 TYR 32 2.202 -5.010 10.769 269 HH TYR 32 HH TYR 32 4.717 -5.978 8.695 270 H HIS 33 HN HIS 33 -2.830 -1.572 8.723 271 HA HIS 33 HA HIS 33 -4.328 0.209 7.108 272 HB2 HIS 33 HB2 HIS 33 -4.074 -0.160 10.094 273 HB3 HIS 33 HB1 HIS 33 -5.115 1.079 9.415 274 HD2 HIS 33 HD2 HIS 33 -7.196 -0.129 7.652 275 HE1 HIS 33 HE1 HIS 33 -7.266 -3.611 10.095 276 HE2 HIS 33 HE2 HIS 33 -8.473 -2.281 8.323 277 H LEU 34 HN LEU 34 -4.726 2.582 7.856 278 HA LEU 34 HA LEU 34 -2.375 4.111 7.449 279 HB2 LEU 34 HB2 LEU 34 -3.783 6.079 7.849 280 HB3 LEU 34 HB1 LEU 34 -4.535 4.958 6.738 281 HG LEU 34 HG LEU 34 -5.644 4.203 9.139 282 HD11 LEU 34 HD11 LEU 34 -5.367 7.205 9.153 283 HD12 LEU 34 HD12 LEU 34 -4.600 6.092 10.284 284 HD13 LEU 34 HD13 LEU 34 -6.356 6.248 10.255 285 HD21 LEU 34 HD21 LEU 34 -7.660 5.204 8.332 286 HD22 LEU 34 HD22 LEU 34 -6.761 4.605 6.939 287 HD23 LEU 34 HD23 LEU 34 -6.757 6.329 7.319 288 H GLU 35 HN GLU 35 -4.384 3.523 10.305 289 HA GLU 35 HA GLU 35 -2.839 4.972 12.187 290 HB2 GLU 35 HB2 GLU 35 -4.605 2.568 12.721 291 HB3 GLU 35 HB1 GLU 35 -4.109 3.780 13.889 292 HG2 GLU 35 HG2 GLU 35 -5.378 5.467 12.506 293 HG3 GLU 35 HG1 GLU 35 -6.028 4.104 11.589 294 H CYS 36 HN CYS 36 -2.401 1.947 10.662 295 HA CYS 36 HA CYS 36 -0.537 0.921 12.664 296 HB2 CYS 36 HB2 CYS 36 -1.463 -0.431 10.125 297 HB3 CYS 36 HB1 CYS 36 -0.726 -1.185 11.536 298 H PHE 37 HN PHE 37 -0.370 2.895 9.985 299 HA PHE 37 HA PHE 37 2.382 2.039 9.363 300 HB2 PHE 37 HB2 PHE 37 0.545 1.999 7.513 301 HB3 PHE 37 HB1 PHE 37 0.735 3.748 7.506 302 HD1 PHE 37 HD1 PHE 37 2.663 0.589 7.153 303 HD2 PHE 37 HD2 PHE 37 2.407 4.739 6.197 304 HE1 PHE 37 HE1 PHE 37 4.580 0.352 5.637 305 HE2 PHE 37 HE2 PHE 37 4.334 4.500 4.682 306 HZ PHE 37 HZ PHE 37 5.422 2.313 4.400 307 H LYS 38 HN LYS 38 2.465 3.372 11.512 308 HA LYS 38 HA LYS 38 3.077 6.166 10.809 309 HB2 LYS 38 HB2 LYS 38 2.556 6.745 13.207 310 HB3 LYS 38 HB1 LYS 38 1.174 6.276 12.234 311 HG2 LYS 38 HG2 LYS 38 1.203 4.051 13.264 312 HG3 LYS 38 HG1 LYS 38 2.594 4.525 14.239 313 HD2 LYS 38 HD2 LYS 38 1.256 6.288 15.287 314 HD3 LYS 38 HD1 LYS 38 -0.134 5.813 14.310 315 HE2 LYS 38 HE2 LYS 38 -0.107 3.600 15.355 316 HE3 LYS 38 HE1 LYS 38 1.282 4.077 16.329 317 HZ1 LYS 38 HZ1 LYS 38 -0.776 4.260 17.576 318 HZ2 LYS 38 HZ2 LYS 38 -1.408 5.330 16.429 319 HZ3 LYS 38 HZ3 LYS 38 -0.076 5.786 17.365 320 H CYS 39 HN CYS 39 4.741 7.208 12.100 321 HA CYS 39 HA CYS 39 7.125 5.692 12.223 322 HB2 CYS 39 HB2 CYS 39 7.016 8.124 11.730 323 HB3 CYS 39 HB1 CYS 39 6.582 8.418 13.410 324 H ALA 40 HN ALA 40 8.403 5.062 13.954 325 HA ALA 40 HA ALA 40 6.950 4.465 16.408 326 HB1 ALA 40 HB1 ALA 40 8.675 2.885 16.876 327 HB2 ALA 40 HB2 ALA 40 9.723 3.579 15.638 328 HB3 ALA 40 HB3 ALA 40 8.252 2.726 15.171 329 H ALA 41 HN ALA 41 8.771 7.009 15.379 330 HA ALA 41 HA ALA 41 9.943 7.493 18.037 331 HB1 ALA 41 HB1 ALA 41 11.557 7.329 16.157 332 HB2 ALA 41 HB2 ALA 41 11.602 8.876 17.004 333 HB3 ALA 41 HB3 ALA 41 10.800 8.751 15.439 334 H CYS 42 HN CYS 42 8.328 9.165 15.310 335 HA CYS 42 HA CYS 42 7.482 11.250 17.211 336 HB2 CYS 42 HB2 CYS 42 7.259 12.771 15.340 337 HB3 CYS 42 HB1 CYS 42 8.865 12.058 15.327 338 H GLN 43 HN GLN 43 6.333 8.572 15.606 339 HA GLN 43 HA GLN 43 4.308 7.622 15.297 340 HB2 GLN 43 HB2 GLN 43 3.500 9.855 17.139 341 HB3 GLN 43 HB1 GLN 43 2.312 8.730 16.496 342 HG2 GLN 43 HG2 GLN 43 4.752 7.737 17.917 343 HG3 GLN 43 HG1 GLN 43 3.338 8.283 18.817 344 HE21 GLN 43 HE21 GLN 43 4.625 5.870 16.675 345 HE22 GLN 43 HE22 GLN 43 3.345 4.725 16.864 346 H LYS 44 HN LYS 44 5.231 10.158 13.667 347 HA LYS 44 HA LYS 44 2.896 11.315 12.556 348 HB2 LYS 44 HB2 LYS 44 5.418 12.047 12.463 349 HB3 LYS 44 HB1 LYS 44 5.440 11.092 10.989 350 HG2 LYS 44 HG2 LYS 44 3.637 12.472 10.073 351 HG3 LYS 44 HG1 LYS 44 3.624 13.431 11.554 352 HD2 LYS 44 HD2 LYS 44 5.942 14.100 11.140 353 HD3 LYS 44 HD1 LYS 44 5.957 13.138 9.661 354 HE2 LYS 44 HE2 LYS 44 4.169 14.531 8.740 355 HE3 LYS 44 HE1 LYS 44 4.150 15.489 10.220 356 HZ1 LYS 44 HZ1 LYS 44 5.422 16.578 8.483 357 HZ2 LYS 44 HZ2 LYS 44 6.446 15.238 8.351 358 HZ3 LYS 44 HZ3 LYS 44 6.432 16.153 9.773 359 H HIS 45 HN HIS 45 2.202 11.119 10.287 360 HA HIS 45 HA HIS 45 2.017 8.300 9.516 361 HB2 HIS 45 HB2 HIS 45 0.130 9.096 8.037 362 HB3 HIS 45 HB1 HIS 45 -0.138 9.303 9.761 363 HD1 HIS 45 HD1 HIS 45 -0.028 11.142 6.586 364 HD2 HIS 45 HD2 HIS 45 0.075 12.057 10.637 365 HE1 HIS 45 HE1 HIS 45 -0.520 13.603 6.732 366 HE2 HIS 45 HE2 HIS 45 -0.534 14.117 9.198 367 H PHE 46 HN PHE 46 2.225 7.646 7.311 368 HA PHE 46 HA PHE 46 4.222 9.237 5.864 369 HB2 PHE 46 HB2 PHE 46 3.564 6.300 5.799 370 HB3 PHE 46 HB1 PHE 46 4.649 7.053 4.644 371 HD1 PHE 46 HD1 PHE 46 4.165 6.808 8.351 372 HD2 PHE 46 HD2 PHE 46 6.908 6.977 5.091 373 HE1 PHE 46 HE1 PHE 46 6.025 6.499 9.915 374 HE2 PHE 46 HE2 PHE 46 8.777 6.671 6.663 375 HZ PHE 46 HZ PHE 46 8.334 6.432 9.077 376 H SER 47 HN SER 47 4.089 9.543 3.664 377 HA SER 47 HA SER 47 1.404 9.283 2.483 378 HB2 SER 47 HB2 SER 47 3.338 11.592 2.177 379 HB3 SER 47 HB1 SER 47 1.795 11.438 1.335 380 HG SER 47 HG SER 47 2.222 11.692 4.127 381 H VAL 48 HN VAL 48 1.340 9.311 0.114 382 HA VAL 48 HA VAL 48 3.122 7.442 -1.040 383 HB VAL 48 HB VAL 48 1.973 8.086 -3.236 384 HG11 VAL 48 HG11 VAL 48 0.374 7.081 -0.891 385 HG12 VAL 48 HG12 VAL 48 1.354 6.123 -2.000 386 HG13 VAL 48 HG13 VAL 48 -0.108 6.921 -2.580 387 HG21 VAL 48 HG21 VAL 48 -0.158 9.293 -3.038 388 HG22 VAL 48 HG22 VAL 48 1.208 10.329 -2.628 389 HG23 VAL 48 HG23 VAL 48 0.201 9.652 -1.349 390 H GLY 49 HN GLY 49 4.849 7.613 -2.353 391 HA2 GLY 49 HA2 GLY 49 6.279 8.690 -3.909 392 HA3 GLY 49 HA1 GLY 49 5.613 10.236 -3.416 393 H ASP 50 HN ASP 50 6.304 8.420 -0.684 394 HA ASP 50 HA ASP 50 8.961 9.669 -0.411 395 HB2 ASP 50 HB2 ASP 50 6.777 9.327 1.645 396 HB3 ASP 50 HB1 ASP 50 8.437 9.728 2.073 397 H ARG 51 HN ARG 51 10.573 8.530 0.661 398 HA ARG 51 HA ARG 51 10.261 5.636 0.632 399 HB2 ARG 51 HB2 ARG 51 12.701 7.379 1.032 400 HB3 ARG 51 HB1 ARG 51 12.730 5.623 0.994 401 HG2 ARG 51 HG2 ARG 51 11.726 5.795 -1.325 402 HG3 ARG 51 HG1 ARG 51 12.092 7.518 -1.246 403 HD2 ARG 51 HD2 ARG 51 14.452 7.005 -0.884 404 HD3 ARG 51 HD1 ARG 51 14.092 5.280 -0.943 405 HE ARG 51 HE ARG 51 13.190 6.563 -3.300 406 HH11 ARG 51 HH11 ARG 51 16.153 5.462 -1.769 407 HH12 ARG 51 HH12 ARG 51 16.985 5.249 -3.273 408 HH21 ARG 51 HH21 ARG 51 14.299 6.275 -5.256 409 HH22 ARG 51 HH22 ARG 51 15.936 5.708 -5.244 410 H TYR 52 HN TYR 52 10.366 4.311 2.380 411 HA TYR 52 HA TYR 52 10.755 5.557 5.017 412 HB2 TYR 52 HB2 TYR 52 8.917 4.283 5.944 413 HB3 TYR 52 HB1 TYR 52 8.335 5.209 4.572 414 HD1 TYR 52 HD1 TYR 52 7.808 4.048 2.434 415 HD2 TYR 52 HD2 TYR 52 8.813 1.880 5.965 416 HE1 TYR 52 HE1 TYR 52 6.886 2.004 1.438 417 HE2 TYR 52 HE2 TYR 52 7.896 -0.168 4.969 418 HH TYR 52 HH TYR 52 7.135 -0.436 1.679 419 H LEU 53 HN LEU 53 11.326 4.069 6.737 420 HA LEU 53 HA LEU 53 12.767 1.690 5.764 421 HB2 LEU 53 HB2 LEU 53 14.227 3.569 6.563 422 HB3 LEU 53 HB1 LEU 53 13.498 3.403 8.147 423 HG LEU 53 HG LEU 53 14.655 0.914 7.072 424 HD11 LEU 53 HD11 LEU 53 16.947 1.520 7.484 425 HD12 LEU 53 HD12 LEU 53 16.475 3.162 7.909 426 HD13 LEU 53 HD13 LEU 53 16.279 2.590 6.253 427 HD21 LEU 53 HD21 LEU 53 13.718 1.209 9.352 428 HD22 LEU 53 HD22 LEU 53 15.021 2.347 9.698 429 HD23 LEU 53 HD23 LEU 53 15.394 0.659 9.342 430 H LEU 54 HN LEU 54 12.109 -0.189 6.561 431 HA LEU 54 HA LEU 54 10.128 -0.214 8.697 432 HB2 LEU 54 HB2 LEU 54 10.006 -1.495 6.428 433 HB3 LEU 54 HB1 LEU 54 11.075 -2.644 7.205 434 HG LEU 54 HG LEU 54 8.562 -1.916 8.636 435 HD11 LEU 54 HD11 LEU 54 7.790 -2.234 6.351 436 HD12 LEU 54 HD12 LEU 54 7.298 -3.586 7.371 437 HD13 LEU 54 HD13 LEU 54 8.655 -3.768 6.260 438 HD21 LEU 54 HD21 LEU 54 10.183 -3.438 9.652 439 HD22 LEU 54 HD22 LEU 54 10.073 -4.502 8.250 440 HD23 LEU 54 HD23 LEU 54 8.670 -4.268 9.293 441 H ILE 55 HN ILE 55 10.853 -0.290 10.693 442 HA ILE 55 HA ILE 55 13.383 -1.577 11.319 443 HB ILE 55 HB ILE 55 12.420 0.723 12.256 444 HG12 ILE 55 HG12 ILE 55 13.896 0.182 14.380 445 HG13 ILE 55 HG11 ILE 55 14.266 -1.280 13.475 446 HG21 ILE 55 HG21 ILE 55 11.542 0.605 14.479 447 HG22 ILE 55 HG22 ILE 55 11.648 -1.155 14.478 448 HG23 ILE 55 HG23 ILE 55 10.497 -0.340 13.417 449 HD11 ILE 55 HD11 ILE 55 14.631 1.502 12.391 450 HD12 ILE 55 HD12 ILE 55 15.181 -0.011 11.672 451 HD13 ILE 55 HD13 ILE 55 15.902 0.565 13.175 452 H ASN 56 HN ASN 56 13.321 -2.750 13.607 453 HA ASN 56 HA ASN 56 12.336 -5.283 13.291 454 HB2 ASN 56 HB2 ASN 56 12.763 -3.893 15.940 455 HB3 ASN 56 HB1 ASN 56 12.756 -5.631 15.668 456 HD21 ASN 56 HD21 ASN 56 14.473 -2.652 15.132 457 HD22 ASN 56 HD22 ASN 56 16.001 -3.361 14.758 458 H SER 57 HN SER 57 10.623 -2.575 14.793 459 HA SER 57 HA SER 57 8.333 -4.349 15.289 460 HB2 SER 57 HB2 SER 57 8.959 -1.650 16.507 461 HB3 SER 57 HB1 SER 57 7.529 -2.616 16.864 462 HG SER 57 HG SER 57 9.258 -4.307 17.361 463 H ASP 58 HN ASP 58 8.595 -0.832 14.615 464 HA ASP 58 HA ASP 58 6.502 -1.173 12.565 465 HB2 ASP 58 HB2 ASP 58 6.848 0.990 14.639 466 HB3 ASP 58 HB1 ASP 58 5.839 1.219 13.215 467 H ILE 59 HN ILE 59 6.498 1.439 11.564 468 HA ILE 59 HA ILE 59 9.017 1.470 10.069 469 HB ILE 59 HB ILE 59 6.454 2.998 9.516 470 HG12 ILE 59 HG12 ILE 59 6.616 1.251 7.474 471 HG13 ILE 59 HG11 ILE 59 7.359 0.284 8.744 472 HG21 ILE 59 HG21 ILE 59 8.168 4.192 8.461 473 HG22 ILE 59 HG22 ILE 59 7.465 3.181 7.200 474 HG23 ILE 59 HG23 ILE 59 8.995 2.721 7.952 475 HD11 ILE 59 HD11 ILE 59 5.396 0.442 10.095 476 HD12 ILE 59 HD12 ILE 59 4.925 -0.075 8.476 477 HD13 ILE 59 HD13 ILE 59 4.663 1.595 8.980 478 H VAL 60 HN VAL 60 10.374 3.235 9.981 479 HA VAL 60 HA VAL 60 9.787 5.459 11.832 480 HB VAL 60 HB VAL 60 12.585 4.484 11.201 481 HG11 VAL 60 HG11 VAL 60 13.176 5.732 13.250 482 HG12 VAL 60 HG12 VAL 60 11.502 6.271 13.381 483 HG13 VAL 60 HG13 VAL 60 12.484 6.768 12.003 484 HG21 VAL 60 HG21 VAL 60 12.643 3.282 13.272 485 HG22 VAL 60 HG22 VAL 60 11.252 2.708 12.352 486 HG23 VAL 60 HG23 VAL 60 11.021 3.827 13.696 487 H CYS 61 HN CYS 61 9.674 7.392 10.914 488 HA CYS 61 HA CYS 61 10.015 7.877 8.171 489 HB2 CYS 61 HB2 CYS 61 9.387 10.102 8.630 490 HB3 CYS 61 HB1 CYS 61 8.568 9.143 9.855 491 H GLU 62 HN GLU 62 11.455 9.342 7.081 492 HA GLU 62 HA GLU 62 14.184 8.878 7.501 493 HB2 GLU 62 HB2 GLU 62 12.722 10.920 5.841 494 HB3 GLU 62 HB1 GLU 62 14.476 10.814 5.856 495 HG2 GLU 62 HG2 GLU 62 14.343 8.506 5.064 496 HG3 GLU 62 HG1 GLU 62 12.584 8.616 5.046 497 H GLN 63 HN GLN 63 12.101 11.250 8.885 498 HA GLN 63 HA GLN 63 14.010 13.234 9.575 499 HB2 GLN 63 HB2 GLN 63 11.374 13.247 9.600 500 HB3 GLN 63 HB1 GLN 63 11.598 12.739 11.267 501 HG2 GLN 63 HG2 GLN 63 12.932 14.740 11.700 502 HG3 GLN 63 HG1 GLN 63 12.711 15.249 10.027 503 HE21 GLN 63 HE21 GLN 63 10.695 15.987 9.354 504 HE22 GLN 63 HE22 GLN 63 9.473 16.470 10.476 505 H ASP 64 HN ASP 64 12.814 10.361 11.271 506 HA ASP 64 HA ASP 64 14.768 10.817 13.433 507 HB2 ASP 64 HB2 ASP 64 12.414 8.930 13.556 508 HB3 ASP 64 HB1 ASP 64 13.392 9.518 14.890 509 H ILE 65 HN ILE 65 14.712 9.163 10.650 510 HA ILE 65 HA ILE 65 15.155 6.475 11.218 511 HB ILE 65 HB ILE 65 14.771 7.230 8.956 512 HG12 ILE 65 HG12 ILE 65 17.135 5.565 9.619 513 HG13 ILE 65 HG11 ILE 65 15.687 5.152 8.716 514 HG21 ILE 65 HG21 ILE 65 16.472 8.375 7.608 515 HG22 ILE 65 HG22 ILE 65 17.494 8.526 9.037 516 HG23 ILE 65 HG23 ILE 65 15.939 9.354 8.976 517 HD11 ILE 65 HD11 ILE 65 18.048 6.699 7.670 518 HD12 ILE 65 HD12 ILE 65 16.599 6.279 6.749 519 HD13 ILE 65 HD13 ILE 65 17.676 5.007 7.329 520 H TYR 66 HN TYR 66 17.671 8.987 10.827 521 HA TYR 66 HA TYR 66 19.891 7.368 11.323 522 HB2 TYR 66 HB2 TYR 66 19.984 9.608 10.286 523 HB3 TYR 66 HB1 TYR 66 19.590 10.337 11.837 524 HD1 TYR 66 HD1 TYR 66 21.238 10.430 13.621 525 HD2 TYR 66 HD2 TYR 66 22.207 8.732 9.844 526 HE1 TYR 66 HE1 TYR 66 23.615 10.540 14.196 527 HE2 TYR 66 HE2 TYR 66 24.601 8.841 10.406 528 HH TYR 66 HH TYR 66 26.086 10.108 11.907 529 H GLU 67 HN GLU 67 18.198 9.531 13.624 530 HA GLU 67 HA GLU 67 19.781 8.886 15.868 531 HB2 GLU 67 HB2 GLU 67 17.041 10.104 15.589 532 HB3 GLU 67 HB1 GLU 67 17.780 9.834 17.161 533 HG2 GLU 67 HG2 GLU 67 19.661 11.257 16.521 534 HG3 GLU 67 HG1 GLU 67 18.917 11.528 14.945 535 H TRP 68 HN TRP 68 16.724 7.489 14.695 536 HA TRP 68 HA TRP 68 16.181 5.868 16.953 537 HB2 TRP 68 HB2 TRP 68 14.493 6.461 15.232 538 HB3 TRP 68 HB1 TRP 68 15.328 5.427 14.079 539 HD1 TRP 68 HD1 TRP 68 14.965 2.830 14.265 540 HE1 TRP 68 HE1 TRP 68 13.280 1.375 15.560 541 HE3 TRP 68 HE3 TRP 68 13.169 6.350 17.522 542 HZ2 TRP 68 HZ2 TRP 68 11.442 1.676 17.677 543 HZ3 TRP 68 HZ3 TRP 68 11.454 5.678 19.150 544 HH2 TRP 68 HH2 TRP 68 10.608 3.390 19.225 545 H THR 69 HN THR 69 17.651 5.021 13.805 546 HA THR 69 HA THR 69 18.283 2.343 14.397 547 HB THR 69 HB THR 69 19.997 2.565 12.554 548 HG1 THR 69 HG1 THR 69 20.576 4.532 12.067 549 HG21 THR 69 HG21 THR 69 17.201 3.533 11.947 550 HG22 THR 69 HG22 THR 69 17.710 1.850 12.081 551 HG23 THR 69 HG23 THR 69 18.332 2.859 10.774 552 H LYS 70 HN LYS 70 19.852 5.317 15.144 553 HA LYS 70 HA LYS 70 22.468 4.446 15.739 554 HB2 LYS 70 HB2 LYS 70 21.402 6.822 15.419 555 HB3 LYS 70 HB1 LYS 70 21.163 6.738 17.157 556 HG2 LYS 70 HG2 LYS 70 23.543 6.469 17.499 557 HG3 LYS 70 HG1 LYS 70 23.804 6.462 15.755 558 HD2 LYS 70 HD2 LYS 70 22.701 8.753 15.731 559 HD3 LYS 70 HD1 LYS 70 22.861 8.732 17.488 560 HE2 LYS 70 HE2 LYS 70 25.303 8.364 17.192 561 HE3 LYS 70 HE1 LYS 70 25.076 8.572 15.456 562 HZ1 LYS 70 HZ1 LYS 70 24.248 10.804 15.868 563 HZ2 LYS 70 HZ2 LYS 70 25.807 10.620 16.498 564 HZ3 LYS 70 HZ3 LYS 70 24.470 10.605 17.534 565 H ILE 71 HN ILE 71 19.559 4.697 17.733 566 HA ILE 71 HA ILE 71 20.954 4.029 20.183 567 HB ILE 71 HB ILE 71 17.957 4.160 19.882 568 HG12 ILE 71 HG12 ILE 71 18.735 6.260 18.957 569 HG13 ILE 71 HG11 ILE 71 18.069 6.560 20.553 570 HG21 ILE 71 HG21 ILE 71 18.717 3.245 21.985 571 HG22 ILE 71 HG22 ILE 71 18.003 4.835 22.248 572 HG23 ILE 71 HG23 ILE 71 19.756 4.644 22.255 573 HD11 ILE 71 HD11 ILE 71 20.340 6.734 21.463 574 HD12 ILE 71 HD12 ILE 71 20.065 7.891 20.161 575 HD13 ILE 71 HD13 ILE 71 21.003 6.429 19.856 576 H ASN 72 HN ASN 72 18.501 2.376 18.141 577 HA ASN 72 HA ASN 72 18.784 -0.012 19.797 578 HB2 ASN 72 HB2 ASN 72 16.951 -0.924 18.238 579 HB3 ASN 72 HB1 ASN 72 16.521 0.342 19.377 580 HD21 ASN 72 HD21 ASN 72 15.651 2.170 18.634 581 HD22 ASN 72 HD22 ASN 72 15.443 2.564 16.966 582 H GLY 73 HN GLY 73 19.675 1.083 16.596 583 HA2 GLY 73 HA2 GLY 73 21.530 0.109 15.446 584 HA3 GLY 73 HA1 GLY 73 21.189 -1.415 16.249 585 H GLY 74 HN GLY 74 21.382 -2.372 14.137 586 HA2 GLY 74 HA2 GLY 74 18.902 -2.923 12.929 587 HA3 GLY 74 HA1 GLY 74 19.757 -1.752 11.935 588 H SER 75 HN SER 75 22.287 -2.482 11.902 589 HA SER 75 HA SER 75 22.252 -5.227 10.836 590 HB2 SER 75 HB2 SER 75 22.690 -3.368 9.201 591 HB3 SER 75 HB1 SER 75 24.163 -2.998 10.097 592 HG SER 75 HG SER 75 23.839 -5.643 9.344 593 H GLY 76 HN GLY 76 23.888 -6.652 11.353 594 HA2 GLY 76 HA2 GLY 76 26.119 -7.048 12.283 595 HA3 GLY 76 HA1 GLY 76 25.779 -5.780 13.451 596 H GLY 77 HN GLY 77 25.273 -9.102 12.575 597 HA2 GLY 77 HA2 GLY 77 25.229 -10.386 14.861 598 HA3 GLY 77 HA1 GLY 77 23.656 -9.609 14.968 599 H SER 78 HN SER 78 21.994 -10.239 13.567 600 HA SER 78 HA SER 78 22.343 -12.930 12.456 601 HB2 SER 78 HB2 SER 78 19.815 -11.405 13.135 602 HB3 SER 78 HB1 SER 78 19.874 -13.057 12.520 603 HG SER 78 HG SER 78 20.155 -13.666 14.500 604 H GLY 79 HN GLY 79 21.096 -9.717 11.600 605 HA2 GLY 79 HA2 GLY 79 21.827 -9.120 9.227 606 HA3 GLY 79 HA1 GLY 79 20.940 -10.569 8.779 607 H GLY 80 HN GLY 80 18.857 -10.376 8.279 608 HA2 GLY 80 HA2 GLY 80 16.646 -9.506 8.773 609 HA3 GLY 80 HA1 GLY 80 17.401 -7.976 9.192 610 H SER 81 HN SER 81 17.710 -6.462 7.651 611 HA SER 81 HA SER 81 16.738 -7.102 4.953 612 HB2 SER 81 HB2 SER 81 16.960 -4.424 6.351 613 HB3 SER 81 HB1 SER 81 16.340 -4.672 4.719 614 HG SER 81 HG SER 81 14.708 -4.551 6.391 615 H GLY 82 HN GLY 82 19.342 -5.400 6.673 616 HA2 GLY 82 HA2 GLY 82 21.619 -5.506 5.989 617 HA3 GLY 82 HA1 GLY 82 21.084 -5.825 4.347 618 H GLY 83 HN GLY 83 19.915 -4.008 3.259 619 HA2 GLY 83 HA2 GLY 83 20.235 -1.333 4.194 620 HA3 GLY 83 HA1 GLY 83 21.490 -1.750 3.037 621 H ASP 84 HN ASP 84 17.991 -2.376 3.292 622 HA ASP 84 HA ASP 84 17.677 -1.297 0.565 623 HB2 ASP 84 HB2 ASP 84 16.287 -3.640 1.873 624 HB3 ASP 84 HB1 ASP 84 15.701 -2.883 0.395 625 H VAL 85 HN VAL 85 15.874 -0.048 0.124 626 HA VAL 85 HA VAL 85 14.237 0.766 2.440 627 HB VAL 85 HB VAL 85 15.003 2.706 0.251 628 HG11 VAL 85 HG11 VAL 85 13.084 3.364 1.555 629 HG12 VAL 85 HG12 VAL 85 14.452 4.390 1.989 630 HG13 VAL 85 HG13 VAL 85 13.960 3.078 3.059 631 HG21 VAL 85 HG21 VAL 85 16.449 2.319 2.873 632 HG22 VAL 85 HG22 VAL 85 16.718 3.640 1.738 633 HG23 VAL 85 HG23 VAL 85 17.097 1.983 1.267 634 H MET 86 HN MET 86 12.084 0.968 2.098 635 HA MET 86 HA MET 86 11.079 0.257 -0.578 636 HB2 MET 86 HB2 MET 86 9.963 -0.212 2.181 637 HB3 MET 86 HB1 MET 86 8.964 -0.354 0.740 638 HG2 MET 86 HG2 MET 86 10.416 -2.101 -0.119 639 HG3 MET 86 HG1 MET 86 11.469 -1.936 1.284 640 HE1 MET 86 HE1 MET 86 11.171 -3.139 3.465 641 HE2 MET 86 HE2 MET 86 9.614 -3.623 4.136 642 HE3 MET 86 HE3 MET 86 9.959 -1.917 3.851 643 H VAL 87 HN VAL 87 9.353 1.377 -1.479 644 HA VAL 87 HA VAL 87 8.960 4.080 -0.443 645 HB VAL 87 HB VAL 87 7.815 3.375 -3.082 646 HG11 VAL 87 HG11 VAL 87 9.486 5.667 -2.084 647 HG12 VAL 87 HG12 VAL 87 7.728 5.632 -2.213 648 HG13 VAL 87 HG13 VAL 87 8.720 5.572 -3.669 649 HG21 VAL 87 HG21 VAL 87 9.957 3.561 -4.264 650 HG22 VAL 87 HG22 VAL 87 9.915 2.135 -3.227 651 HG23 VAL 87 HG23 VAL 87 10.809 3.568 -2.720 652 H VAL 88 HN VAL 88 6.922 4.989 -0.180 653 HA VAL 88 HA VAL 88 4.881 3.410 0.877 654 HB VAL 88 HB VAL 88 4.795 6.256 -0.159 655 HG11 VAL 88 HG11 VAL 88 2.862 5.056 1.812 656 HG12 VAL 88 HG12 VAL 88 2.510 5.216 0.092 657 HG13 VAL 88 HG13 VAL 88 2.803 6.652 1.072 658 HG21 VAL 88 HG21 VAL 88 4.927 6.747 2.333 659 HG22 VAL 88 HG22 VAL 88 6.389 6.136 1.559 660 HG23 VAL 88 HG23 VAL 88 5.388 5.054 2.527 661 H GLY 89 HN GLY 89 3.738 1.948 -0.173 662 HA2 GLY 89 HA2 GLY 89 3.234 1.841 -2.954 663 HA3 GLY 89 HA1 GLY 89 2.498 0.831 -1.737 664 H GLU 90 HN GLU 90 0.425 0.904 -1.672 665 HA GLU 90 HA GLU 90 -1.305 2.419 -3.178 666 HB2 GLU 90 HB2 GLU 90 -1.551 0.654 -0.827 667 HB3 GLU 90 HB1 GLU 90 -2.901 1.750 -1.080 668 HG2 GLU 90 HG2 GLU 90 -3.177 0.892 -3.345 669 HG3 GLU 90 HG1 GLU 90 -1.808 -0.192 -3.104 670 HA PRO 91 HA PRO 91 -1.785 6.289 -1.094 671 HB2 PRO 91 HB2 PRO 91 -4.371 6.993 -1.409 672 HB3 PRO 91 HB1 PRO 91 -3.154 7.075 -2.715 673 HG2 PRO 91 HG2 PRO 91 -5.359 5.137 -2.325 674 HG3 PRO 91 HG1 PRO 91 -4.532 5.606 -3.818 675 HD2 PRO 91 HD2 PRO 91 -4.128 3.234 -2.339 676 HD3 PRO 91 HD1 PRO 91 -3.121 3.832 -3.668 677 H THR 92 HN THR 92 -2.182 7.266 0.601 678 HA THR 92 HA THR 92 -3.927 6.296 2.664 679 HB THR 92 HB THR 92 -1.614 6.544 3.397 680 HG1 THR 92 HG1 THR 92 -2.369 8.694 4.782 681 HG21 THR 92 HG21 THR 92 -1.837 9.403 2.446 682 HG22 THR 92 HG22 THR 92 -0.694 8.175 1.905 683 HG23 THR 92 HG23 THR 92 -0.576 8.832 3.537 684 H LEU 93 HN LEU 93 -4.988 8.015 3.888 685 HA LEU 93 HA LEU 93 -6.936 9.358 2.660 686 HB2 LEU 93 HB2 LEU 93 -6.737 9.020 5.105 687 HB3 LEU 93 HB1 LEU 93 -5.571 10.320 5.179 688 HG LEU 93 HG LEU 93 -8.142 11.092 3.983 689 HD11 LEU 93 HD11 LEU 93 -9.325 11.167 6.126 690 HD12 LEU 93 HD12 LEU 93 -7.998 10.288 6.887 691 HD13 LEU 93 HD13 LEU 93 -8.969 9.510 5.638 692 HD21 LEU 93 HD21 LEU 93 -6.451 12.207 6.221 693 HD22 LEU 93 HD22 LEU 93 -7.824 13.012 5.463 694 HD23 LEU 93 HD23 LEU 93 -6.369 12.683 4.524 695 H MET 94 HN MET 94 -6.539 10.450 0.859 696 HA MET 94 HA MET 94 -4.558 12.426 0.454 697 HB2 MET 94 HB2 MET 94 -6.065 11.028 -1.219 698 HB3 MET 94 HB1 MET 94 -7.080 12.460 -1.142 699 HG2 MET 94 HG2 MET 94 -5.607 12.603 -3.039 700 HG3 MET 94 HG1 MET 94 -5.174 13.835 -1.856 701 HE1 MET 94 HE1 MET 94 -4.346 9.980 -2.466 702 HE2 MET 94 HE2 MET 94 -2.690 10.152 -3.047 703 HE3 MET 94 HE3 MET 94 -4.024 10.853 -3.964 704 H GLY 95 HN GLY 95 -8.050 12.742 1.142 705 HA2 GLY 95 HA2 GLY 95 -7.574 15.579 1.828 706 HA3 GLY 95 HA1 GLY 95 -9.063 15.002 1.099 707 H GLY 96 HN GLY 96 -10.509 13.723 2.366 708 HA2 GLY 96 HA2 GLY 96 -10.077 13.137 5.105 709 HA3 GLY 96 HA1 GLY 96 -10.951 14.651 4.951 710 H GLU 97 HN GLU 97 -12.586 13.452 6.160 711 HA GLU 97 HA GLU 97 -14.151 11.565 4.540 712 HB2 GLU 97 HB2 GLU 97 -14.072 12.126 7.503 713 HB3 GLU 97 HB1 GLU 97 -15.361 11.185 6.767 714 HG2 GLU 97 HG2 GLU 97 -13.721 9.568 5.955 715 HG3 GLU 97 HG1 GLU 97 -12.426 10.515 6.686 716 H PHE 98 HN PHE 98 -16.532 11.753 4.658 717 HA PHE 98 HA PHE 98 -17.337 14.512 4.242 718 HB2 PHE 98 HB2 PHE 98 -19.489 13.481 3.428 719 HB3 PHE 98 HB1 PHE 98 -18.053 13.016 2.527 720 HD1 PHE 98 HD1 PHE 98 -17.164 10.743 2.696 721 HD2 PHE 98 HD2 PHE 98 -20.739 11.880 4.704 722 HE1 PHE 98 HE1 PHE 98 -17.731 8.371 3.021 723 HE2 PHE 98 HE2 PHE 98 -21.312 9.510 5.034 724 HZ PHE 98 HZ PHE 98 -19.807 7.752 4.193 725 H GLY 99 HN GLY 99 -18.228 11.804 6.361 726 HA2 GLY 99 HA2 GLY 99 -18.671 12.956 8.699 727 HA3 GLY 99 HA1 GLY 99 -20.101 13.495 7.833 728 H ASP 100 HN ASP 100 -19.524 11.596 10.160 729 HA ASP 100 HA ASP 100 -21.259 9.420 9.207 730 HB2 ASP 100 HB2 ASP 100 -18.819 9.163 10.983 731 HB3 ASP 100 HB1 ASP 100 -20.015 7.886 10.786 732 H GLU 101 HN GLU 101 -22.634 11.311 10.140 733 HA GLU 101 HA GLU 101 -22.885 11.292 13.035 734 HB2 GLU 101 HB2 GLU 101 -24.265 12.841 10.852 735 HB3 GLU 101 HB1 GLU 101 -24.789 12.921 12.527 736 HG2 GLU 101 HG2 GLU 101 -23.416 14.771 12.310 737 HG3 GLU 101 HG1 GLU 101 -22.353 13.571 13.041 738 H ASP 102 HN ASP 102 -24.383 9.770 10.314 739 HA ASP 102 HA ASP 102 -26.843 9.109 11.694 740 HB2 ASP 102 HB2 ASP 102 -25.757 8.371 8.979 741 HB3 ASP 102 HB1 ASP 102 -27.284 7.752 9.600 742 H GLU 103 HN GLU 103 -23.727 7.675 11.315 743 HA GLU 103 HA GLU 103 -24.632 4.973 11.882 744 HB2 GLU 103 HB2 GLU 103 -21.934 6.195 11.367 745 HB3 GLU 103 HB1 GLU 103 -22.096 4.542 11.944 746 HG2 GLU 103 HG2 GLU 103 -23.485 4.024 9.975 747 HG3 GLU 103 HG1 GLU 103 -23.220 5.665 9.387 748 H ARG 104 HN ARG 104 -23.721 7.706 13.705 749 HA ARG 104 HA ARG 104 -22.805 6.182 16.005 750 HB2 ARG 104 HB2 ARG 104 -22.497 8.411 17.071 751 HB3 ARG 104 HB1 ARG 104 -21.606 8.215 15.573 752 HG2 ARG 104 HG2 ARG 104 -23.358 9.517 14.404 753 HG3 ARG 104 HG1 ARG 104 -24.159 9.775 15.953 754 HD2 ARG 104 HD2 ARG 104 -22.878 11.718 15.560 755 HD3 ARG 104 HD1 ARG 104 -21.983 10.786 16.758 756 HE ARG 104 HE ARG 104 -21.035 10.091 14.218 757 HH11 ARG 104 HH11 ARG 104 -21.016 12.886 16.345 758 HH12 ARG 104 HH12 ARG 104 -19.528 13.504 15.708 759 HH21 ARG 104 HH21 ARG 104 -19.090 10.919 13.400 760 HH22 ARG 104 HH22 ARG 104 -18.441 12.390 14.041 761 H LEU 105 HN LEU 105 -25.693 7.811 14.917 762 HA LEU 105 HA LEU 105 -26.976 7.628 17.526 763 HB2 LEU 105 HB2 LEU 105 -27.297 9.245 15.196 764 HB3 LEU 105 HB1 LEU 105 -28.808 8.414 15.496 765 HG LEU 105 HG LEU 105 -27.461 9.868 17.744 766 HD11 LEU 105 HD11 LEU 105 -28.683 11.897 17.137 767 HD12 LEU 105 HD12 LEU 105 -29.200 11.135 15.634 768 HD13 LEU 105 HD13 LEU 105 -27.491 11.466 15.911 769 HD21 LEU 105 HD21 LEU 105 -29.771 10.163 18.493 770 HD22 LEU 105 HD22 LEU 105 -29.398 8.458 18.234 771 HD23 LEU 105 HD23 LEU 105 -30.351 9.344 17.043 772 H ILE 106 HN ILE 106 -27.299 6.230 14.278 773 HA ILE 106 HA ILE 106 -28.823 4.018 15.448 774 HB ILE 106 HB ILE 106 -30.220 3.956 13.298 775 HG12 ILE 106 HG12 ILE 106 -30.666 6.512 12.633 776 HG13 ILE 106 HG11 ILE 106 -28.960 6.653 13.045 777 HG21 ILE 106 HG21 ILE 106 -31.148 4.439 15.473 778 HG22 ILE 106 HG22 ILE 106 -31.901 5.463 14.250 779 HG23 ILE 106 HG23 ILE 106 -30.676 6.132 15.327 780 HD11 ILE 106 HD11 ILE 106 -28.425 4.925 11.407 781 HD12 ILE 106 HD12 ILE 106 -29.269 6.284 10.666 782 HD13 ILE 106 HD13 ILE 106 -30.133 4.783 10.998 783 H THR 107 HN THR 107 -28.685 2.030 14.349 784 HA THR 107 HA THR 107 -26.559 1.854 12.315 785 HB THR 107 HB THR 107 -25.989 -0.403 13.347 786 HG1 THR 107 HG1 THR 107 -27.162 -0.980 14.998 787 HG21 THR 107 HG21 THR 107 -24.526 0.576 15.060 788 HG22 THR 107 HG22 THR 107 -25.442 2.080 14.980 789 HG23 THR 107 HG23 THR 107 -24.518 1.534 13.580 790 H ARG 108 HN ARG 108 -27.161 0.873 10.514 791 HA ARG 108 HA ARG 108 -29.617 -0.745 10.523 792 HB2 ARG 108 HB2 ARG 108 -28.245 0.834 8.350 793 HB3 ARG 108 HB1 ARG 108 -29.508 -0.339 8.001 794 HG2 ARG 108 HG2 ARG 108 -31.075 0.926 9.382 795 HG3 ARG 108 HG1 ARG 108 -29.808 2.095 9.753 796 HD2 ARG 108 HD2 ARG 108 -31.082 3.070 8.029 797 HD3 ARG 108 HD1 ARG 108 -29.618 2.470 7.252 798 HE ARG 108 HE ARG 108 -31.555 0.470 7.073 799 HH11 ARG 108 HH11 ARG 108 -31.052 3.711 5.815 800 HH12 ARG 108 HH12 ARG 108 -31.972 3.419 4.377 801 HH21 ARG 108 HH21 ARG 108 -32.753 0.112 5.183 802 HH22 ARG 108 HH22 ARG 108 -32.933 1.382 4.020 803 H LEU 109 HN LEU 109 -29.649 -2.801 9.783 804 HA LEU 109 HA LEU 109 -27.146 -3.942 8.746 805 HB2 LEU 109 HB2 LEU 109 -27.629 -6.021 10.048 806 HB3 LEU 109 HB1 LEU 109 -27.182 -4.636 11.019 807 HG LEU 109 HG LEU 109 -30.092 -5.189 10.655 808 HD11 LEU 109 HD11 LEU 109 -28.298 -6.762 12.499 809 HD12 LEU 109 HD12 LEU 109 -29.194 -7.398 11.119 810 HD13 LEU 109 HD13 LEU 109 -30.061 -6.776 12.523 811 HD21 LEU 109 HD21 LEU 109 -28.416 -4.248 12.982 812 HD22 LEU 109 HD22 LEU 109 -30.176 -4.366 12.958 813 HD23 LEU 109 HD23 LEU 109 -29.354 -3.222 11.897 814 H GLU 110 HN GLU 110 -27.319 -5.450 7.158 815 HA GLU 110 HA GLU 110 -30.008 -5.854 6.037 816 HB2 GLU 110 HB2 GLU 110 -27.269 -5.865 4.776 817 HB3 GLU 110 HB1 GLU 110 -28.684 -6.492 3.943 818 HG2 GLU 110 HG2 GLU 110 -29.758 -4.307 4.111 819 HG3 GLU 110 HG1 GLU 110 -28.343 -3.676 4.953 820 H ASN 111 HN ASN 111 -30.744 -7.874 5.473 821 HA ASN 111 HA ASN 111 -29.093 -10.179 6.267 822 HB2 ASN 111 HB2 ASN 111 -31.997 -9.665 6.922 823 HB3 ASN 111 HB1 ASN 111 -31.259 -11.259 7.041 824 HD21 ASN 111 HD21 ASN 111 -29.721 -11.648 8.635 825 HD22 ASN 111 HD22 ASN 111 -29.535 -10.608 10.003 826 H THR 112 HN THR 112 -29.249 -11.999 5.022 827 HA THR 112 HA THR 112 -30.698 -11.687 2.490 828 HB THR 112 HB THR 112 -28.347 -11.949 2.102 829 HG1 THR 112 HG1 THR 112 -29.650 -13.079 0.633 830 HG21 THR 112 HG21 THR 112 -27.072 -13.948 2.791 831 HG22 THR 112 HG22 THR 112 -28.460 -14.494 3.732 832 HG23 THR 112 HG23 THR 112 -27.627 -13.005 4.175 833 H GLN 113 HN GLN 113 -30.057 -14.057 5.055 834 HA GLN 113 HA GLN 113 -32.181 -15.790 4.011 835 HB2 GLN 113 HB2 GLN 113 -29.973 -16.219 6.013 836 HB3 GLN 113 HB1 GLN 113 -31.322 -17.339 5.879 837 HG2 GLN 113 HG2 GLN 113 -30.755 -17.751 3.542 838 HG3 GLN 113 HG1 GLN 113 -29.408 -16.622 3.668 839 HE21 GLN 113 HE21 GLN 113 -30.623 -19.751 4.558 840 HE22 GLN 113 HE22 GLN 113 -29.123 -20.402 5.113 841 H PHE 114 HN PHE 114 -33.899 -16.498 5.308 842 HA PHE 114 HA PHE 114 -34.664 -14.600 7.404 843 HB2 PHE 114 HB2 PHE 114 -36.120 -15.230 5.329 844 HB3 PHE 114 HB1 PHE 114 -36.503 -16.679 6.252 845 HD1 PHE 114 HD1 PHE 114 -37.844 -16.555 8.263 846 HD2 PHE 114 HD2 PHE 114 -36.918 -13.057 6.023 847 HE1 PHE 114 HE1 PHE 114 -39.597 -15.322 9.473 848 HE2 PHE 114 HE2 PHE 114 -38.668 -11.817 7.229 849 HZ PHE 114 HZ PHE 114 -40.010 -12.949 8.956 850 H ASP 115 HN ASP 115 -34.356 -18.085 6.812 851 HA ASP 115 HA ASP 115 -34.844 -18.640 9.650 852 HB2 ASP 115 HB2 ASP 115 -34.715 -20.435 7.224 853 HB3 ASP 115 HB1 ASP 115 -34.807 -21.056 8.870 854 H ALA 116 HN ALA 116 -33.267 -19.131 11.015 855 HA ALA 116 HA ALA 116 -30.627 -19.892 9.950 856 HB1 ALA 116 HB1 ALA 116 -29.549 -18.533 11.657 857 HB2 ALA 116 HB2 ALA 116 -31.124 -18.007 12.253 858 HB3 ALA 116 HB3 ALA 116 -30.592 -17.542 10.637 859 H ALA 117 HN ALA 117 -32.831 -19.967 12.724 860 HA ALA 117 HA ALA 117 -31.306 -22.146 13.946 861 HB1 ALA 117 HB1 ALA 117 -31.972 -20.276 15.380 862 HB2 ALA 117 HB2 ALA 117 -32.703 -21.792 15.907 863 HB3 ALA 117 HB3 ALA 117 -33.667 -20.610 15.024 864 H ASN 118 HN ASN 118 -34.473 -21.431 12.578 865 HA ASN 118 HA ASN 118 -36.326 -22.640 12.116 866 HB2 ASN 118 HB2 ASN 118 -35.956 -24.633 10.695 867 HB3 ASN 118 HB1 ASN 118 -34.985 -23.252 10.212 868 HD21 ASN 118 HD21 ASN 118 -34.970 -26.463 11.500 869 HD22 ASN 118 HD22 ASN 118 -33.267 -26.730 11.378 870 H GLY 119 HN GLY 119 -37.613 -23.234 13.679 871 HA2 GLY 119 HA2 GLY 119 -37.598 -25.922 14.661 872 HA3 GLY 119 HA1 GLY 119 -37.092 -24.778 15.895 873 H ILE 120 HN ILE 120 -39.468 -26.494 15.767 874 HA ILE 120 HA ILE 120 -41.628 -24.527 15.565 875 HB ILE 120 HB ILE 120 -41.892 -26.682 14.348 876 HG12 ILE 120 HG12 ILE 120 -44.197 -27.275 15.512 877 HG13 ILE 120 HG11 ILE 120 -43.858 -25.807 16.420 878 HG21 ILE 120 HG21 ILE 120 -42.021 -27.948 17.078 879 HG22 ILE 120 HG22 ILE 120 -40.779 -28.208 15.854 880 HG23 ILE 120 HG23 ILE 120 -42.434 -28.744 15.559 881 HD11 ILE 120 HD11 ILE 120 -45.273 -25.352 14.502 882 HD12 ILE 120 HD12 ILE 120 -44.051 -26.025 13.424 883 HD13 ILE 120 HD13 ILE 120 -43.712 -24.551 14.331 884 H ASP 121 HN ASP 121 -42.718 -23.777 17.281 885 HA ASP 121 HA ASP 121 -42.215 -24.973 19.924 886 HB2 ASP 121 HB2 ASP 121 -40.958 -22.747 19.324 887 HB3 ASP 121 HB1 ASP 121 -42.525 -22.003 19.623 888 H ASP 122 HN ASP 122 -43.915 -24.933 21.370 889 HA ASP 122 HA ASP 122 -46.514 -24.047 20.294 890 HB2 ASP 122 HB2 ASP 122 -45.836 -26.460 21.981 891 HB3 ASP 122 HB1 ASP 122 -47.484 -25.881 21.759 892 H GLU 123 HN GLU 123 -47.831 -22.854 21.564 893 HA GLU 123 HA GLU 123 -46.856 -22.176 24.263 894 HB2 GLU 123 HB2 GLU 123 -48.163 -20.437 22.174 895 HB3 GLU 123 HB1 GLU 123 -48.087 -19.968 23.866 896 HG2 GLU 123 HG2 GLU 123 -45.648 -20.061 23.784 897 HG3 GLU 123 HG1 GLU 123 -45.724 -20.534 22.088 Start of MODEL 13 1 H TYR 1 HT1 TYR 1 -6.218 -28.520 -7.830 2 HA TYR 1 HA TYR 1 -7.863 -26.781 -7.869 3 HB2 TYR 1 HB2 TYR 1 -8.715 -28.028 -5.248 4 HB3 TYR 1 HB1 TYR 1 -9.220 -26.426 -5.772 5 HD1 TYR 1 HD1 TYR 1 -10.811 -26.157 -7.595 6 HD2 TYR 1 HD2 TYR 1 -9.595 -30.027 -6.311 7 HE1 TYR 1 HE1 TYR 1 -12.692 -27.151 -8.828 8 HE2 TYR 1 HE2 TYR 1 -11.472 -31.031 -7.542 9 HH TYR 1 HH TYR 1 -13.306 -29.313 -9.820 10 H LEU 2 HN LEU 2 -6.931 -24.892 -7.429 11 HA LEU 2 HA LEU 2 -5.145 -24.697 -5.096 12 HB2 LEU 2 HB2 LEU 2 -4.070 -24.957 -7.462 13 HB3 LEU 2 HB1 LEU 2 -4.542 -23.284 -7.676 14 HG LEU 2 HG LEU 2 -2.954 -23.969 -5.247 15 HD11 LEU 2 HD11 LEU 2 -0.863 -23.772 -6.510 16 HD12 LEU 2 HD12 LEU 2 -1.779 -23.762 -8.017 17 HD13 LEU 2 HD13 LEU 2 -1.787 -25.195 -6.989 18 HD21 LEU 2 HD21 LEU 2 -1.993 -21.761 -5.686 19 HD22 LEU 2 HD22 LEU 2 -3.752 -21.689 -5.605 20 HD23 LEU 2 HD23 LEU 2 -2.939 -21.641 -7.169 21 H ARG 3 HN ARG 3 -5.751 -23.153 -3.761 22 HA ARG 3 HA ARG 3 -7.815 -21.295 -4.297 23 HB2 ARG 3 HB2 ARG 3 -5.841 -21.551 -2.036 24 HB3 ARG 3 HB1 ARG 3 -7.055 -20.281 -2.079 25 HG2 ARG 3 HG2 ARG 3 -8.821 -21.982 -2.148 26 HG3 ARG 3 HG1 ARG 3 -7.593 -23.246 -2.075 27 HD2 ARG 3 HD2 ARG 3 -8.369 -23.000 0.133 28 HD3 ARG 3 HD1 ARG 3 -6.817 -22.165 0.086 29 HE ARG 3 HE ARG 3 -8.832 -20.301 -0.453 30 HH11 ARG 3 HH11 ARG 3 -7.732 -22.254 2.251 31 HH12 ARG 3 HH12 ARG 3 -8.309 -21.135 3.442 32 HH21 ARG 3 HH21 ARG 3 -9.578 -18.852 1.123 33 HH22 ARG 3 HH22 ARG 3 -9.353 -19.212 2.802 34 H LEU 4 HN LEU 4 -7.777 -19.025 -4.401 35 HA LEU 4 HA LEU 4 -5.201 -17.831 -5.196 36 HB2 LEU 4 HB2 LEU 4 -6.967 -18.318 -7.044 37 HB3 LEU 4 HB1 LEU 4 -7.826 -16.951 -6.365 38 HG LEU 4 HG LEU 4 -5.511 -15.727 -6.723 39 HD11 LEU 4 HD11 LEU 4 -5.424 -17.920 -8.792 40 HD12 LEU 4 HD12 LEU 4 -4.289 -17.702 -7.458 41 HD13 LEU 4 HD13 LEU 4 -4.377 -16.501 -8.747 42 HD21 LEU 4 HD21 LEU 4 -7.615 -15.065 -7.740 43 HD22 LEU 4 HD22 LEU 4 -7.450 -16.339 -8.948 44 HD23 LEU 4 HD23 LEU 4 -6.307 -14.996 -8.922 45 H PHE 5 HN PHE 5 -4.624 -16.123 -4.038 46 HA PHE 5 HA PHE 5 -6.688 -14.499 -2.722 47 HB2 PHE 5 HB2 PHE 5 -5.166 -14.314 -0.716 48 HB3 PHE 5 HB1 PHE 5 -5.905 -15.891 -0.948 49 HD1 PHE 5 HD2 PHE 5 -2.784 -13.989 -1.007 50 HD2 PHE 5 HD1 PHE 5 -4.563 -17.817 -1.545 51 HE1 PHE 5 HE2 PHE 5 -0.558 -15.034 -0.900 52 HE2 PHE 5 HE1 PHE 5 -2.342 -18.869 -1.438 53 HZ PHE 5 HZ PHE 5 -0.335 -17.477 -1.116 54 H GLY 6 HN GLY 6 -6.149 -12.328 -2.314 55 HA2 GLY 6 HA2 GLY 6 -3.813 -11.345 -3.841 56 HA3 GLY 6 HA1 GLY 6 -5.366 -10.523 -3.828 57 H GLN 7 HN GLN 7 -6.110 -10.316 -1.320 58 HA GLN 7 HA GLN 7 -4.004 -8.693 -0.083 59 HB2 GLN 7 HB2 GLN 7 -7.006 -8.739 0.224 60 HB3 GLN 7 HB1 GLN 7 -5.969 -7.850 1.330 61 HG2 GLN 7 HG2 GLN 7 -5.116 -6.523 -0.540 62 HG3 GLN 7 HG1 GLN 7 -6.165 -7.411 -1.643 63 HE21 GLN 7 HE21 GLN 7 -6.002 -5.021 0.866 64 HE22 GLN 7 HE22 GLN 7 -7.610 -4.416 0.680 65 H ASP 8 HN ASP 8 -3.899 -8.691 2.332 66 HA ASP 8 HA ASP 8 -3.652 -11.396 3.301 67 HB2 ASP 8 HB2 ASP 8 -3.010 -8.709 4.515 68 HB3 ASP 8 HB1 ASP 8 -2.817 -10.218 5.402 69 H GLY 9 HN GLY 9 -5.654 -8.571 4.106 70 HA2 GLY 9 HA2 GLY 9 -7.903 -8.719 4.824 71 HA3 GLY 9 HA1 GLY 9 -7.605 -10.367 5.346 72 H LEU 10 HN LEU 10 -5.020 -9.045 6.619 73 HA LEU 10 HA LEU 10 -6.330 -7.852 8.956 74 HB2 LEU 10 HB2 LEU 10 -4.547 -10.244 8.876 75 HB3 LEU 10 HB1 LEU 10 -4.476 -9.178 10.265 76 HG LEU 10 HG LEU 10 -7.214 -9.888 9.615 77 HD11 LEU 10 HD11 LEU 10 -5.302 -12.128 10.252 78 HD12 LEU 10 HD12 LEU 10 -6.228 -11.933 8.765 79 HD13 LEU 10 HD13 LEU 10 -7.062 -12.238 10.290 80 HD21 LEU 10 HD21 LEU 10 -6.533 -8.902 11.725 81 HD22 LEU 10 HD22 LEU 10 -5.476 -10.276 12.051 82 HD23 LEU 10 HD23 LEU 10 -7.225 -10.502 11.996 83 H CYS 11 HN CYS 11 -5.033 -6.501 10.243 84 HA CYS 11 HA CYS 11 -2.823 -5.265 8.780 85 HB2 CYS 11 HB2 CYS 11 -4.607 -3.789 9.540 86 HB3 CYS 11 HB1 CYS 11 -4.396 -4.343 11.194 87 H ALA 12 HN ALA 12 -0.885 -5.942 9.200 88 HA ALA 12 HA ALA 12 -0.126 -7.540 11.403 89 HB1 ALA 12 HB1 ALA 12 2.208 -7.149 10.514 90 HB2 ALA 12 HB2 ALA 12 1.457 -6.143 9.275 91 HB3 ALA 12 HB3 ALA 12 1.040 -7.851 9.396 92 H SER 13 HN SER 13 -0.611 -4.210 11.417 93 HA SER 13 HA SER 13 1.489 -3.698 13.394 94 HB2 SER 13 HB2 SER 13 1.326 -2.047 11.615 95 HB3 SER 13 HB1 SER 13 -0.376 -1.775 11.980 96 HG SER 13 HG SER 13 1.719 -0.554 13.017 97 H CYS 14 HN CYS 14 -2.053 -3.179 13.081 98 HA CYS 14 HA CYS 14 -2.199 -2.978 16.004 99 HB2 CYS 14 HB2 CYS 14 -4.313 -1.886 15.737 100 HB3 CYS 14 HB1 CYS 14 -3.185 -1.152 14.606 101 H ASP 15 HN ASP 15 -2.408 -5.377 13.802 102 HA ASP 15 HA ASP 15 -3.290 -7.466 13.694 103 HB2 ASP 15 HB2 ASP 15 -3.595 -6.981 16.663 104 HB3 ASP 15 HB1 ASP 15 -3.925 -8.535 15.906 105 H LYS 16 HN LYS 16 -5.088 -5.220 13.197 106 HA LYS 16 HA LYS 16 -7.694 -6.338 13.975 107 HB2 LYS 16 HB2 LYS 16 -7.147 -3.909 14.466 108 HB3 LYS 16 HB1 LYS 16 -7.145 -3.636 12.744 109 HG2 LYS 16 HG2 LYS 16 -9.477 -4.204 12.590 110 HG3 LYS 16 HG1 LYS 16 -9.506 -4.663 14.291 111 HD2 LYS 16 HD2 LYS 16 -8.989 -2.357 14.925 112 HD3 LYS 16 HD1 LYS 16 -8.944 -1.899 13.221 113 HE2 LYS 16 HE2 LYS 16 -11.299 -2.537 12.995 114 HE3 LYS 16 HE1 LYS 16 -11.339 -2.987 14.700 115 HZ1 LYS 16 HZ1 LYS 16 -10.805 -0.261 13.643 116 HZ2 LYS 16 HZ2 LYS 16 -10.850 -0.692 15.278 117 HZ3 LYS 16 HZ3 LYS 16 -12.256 -0.782 14.342 118 H ARG 17 HN ARG 17 -9.196 -6.920 12.456 119 HA ARG 17 HA ARG 17 -8.306 -7.834 9.943 120 HB2 ARG 17 HB2 ARG 17 -11.133 -7.442 10.943 121 HB3 ARG 17 HB1 ARG 17 -10.683 -8.359 9.514 122 HG2 ARG 17 HG2 ARG 17 -9.241 -9.750 11.137 123 HG3 ARG 17 HG1 ARG 17 -10.234 -9.023 12.396 124 HD2 ARG 17 HD2 ARG 17 -11.284 -11.064 11.870 125 HD3 ARG 17 HD1 ARG 17 -12.247 -9.819 11.078 126 HE ARG 17 HE ARG 17 -10.319 -10.771 9.270 127 HH11 ARG 17 HH11 ARG 17 -13.258 -11.883 10.837 128 HH12 ARG 17 HH12 ARG 17 -13.662 -12.978 9.557 129 HH21 ARG 17 HH21 ARG 17 -10.867 -12.211 7.607 130 HH22 ARG 17 HH22 ARG 17 -12.308 -13.164 7.731 131 H ILE 18 HN ILE 18 -8.092 -6.823 8.048 132 HA ILE 18 HA ILE 18 -8.885 -4.069 7.746 133 HB ILE 18 HB ILE 18 -7.634 -5.939 5.698 134 HG12 ILE 18 HG12 ILE 18 -6.253 -3.706 7.207 135 HG13 ILE 18 HG11 ILE 18 -6.288 -5.347 7.837 136 HG21 ILE 18 HG21 ILE 18 -7.067 -3.899 4.451 137 HG22 ILE 18 HG22 ILE 18 -7.941 -2.932 5.641 138 HG23 ILE 18 HG23 ILE 18 -8.814 -4.083 4.626 139 HD11 ILE 18 HD11 ILE 18 -4.209 -5.027 6.739 140 HD12 ILE 18 HD12 ILE 18 -4.994 -4.384 5.297 141 HD13 ILE 18 HD13 ILE 18 -5.180 -6.087 5.717 142 H ARG 19 HN ARG 19 -10.460 -3.224 6.370 143 HA ARG 19 HA ARG 19 -12.441 -5.155 5.351 144 HB2 ARG 19 HB2 ARG 19 -12.855 -2.598 6.888 145 HB3 ARG 19 HB1 ARG 19 -14.134 -3.296 5.907 146 HG2 ARG 19 HG2 ARG 19 -14.023 -5.353 7.231 147 HG3 ARG 19 HG1 ARG 19 -12.751 -4.638 8.223 148 HD2 ARG 19 HD2 ARG 19 -14.291 -2.867 8.917 149 HD3 ARG 19 HD1 ARG 19 -15.560 -3.579 7.921 150 HE ARG 19 HE ARG 19 -14.609 -5.526 9.703 151 HH11 ARG 19 HH11 ARG 19 -16.467 -2.547 9.792 152 HH12 ARG 19 HH12 ARG 19 -17.347 -3.004 11.211 153 HH21 ARG 19 HH21 ARG 19 -15.774 -6.103 11.560 154 HH22 ARG 19 HH22 ARG 19 -16.953 -5.016 12.211 155 H ALA 20 HN ALA 20 -14.167 -3.624 4.009 156 HA ALA 20 HA ALA 20 -12.996 -3.137 1.534 157 HB1 ALA 20 HB1 ALA 20 -15.598 -2.027 2.563 158 HB2 ALA 20 HB2 ALA 20 -15.368 -3.633 1.872 159 HB3 ALA 20 HB3 ALA 20 -15.127 -2.199 0.873 160 H TYR 21 HN TYR 21 -13.130 -1.022 4.267 161 HA TYR 21 HA TYR 21 -12.960 1.476 2.914 162 HB2 TYR 21 HB2 TYR 21 -13.653 1.184 5.309 163 HB3 TYR 21 HB1 TYR 21 -11.991 0.778 5.706 164 HD1 TYR 21 HD2 TYR 21 -14.126 3.523 4.368 165 HD2 TYR 21 HD1 TYR 21 -10.446 2.468 6.233 166 HE1 TYR 21 HE2 TYR 21 -13.643 5.903 4.752 167 HE2 TYR 21 HE1 TYR 21 -9.956 4.844 6.625 168 HH TYR 21 HH TYR 21 -10.585 7.031 5.695 169 H GLU 22 HN GLU 22 -10.457 -0.275 4.743 170 HA GLU 22 HA GLU 22 -8.188 -0.050 4.776 171 HB2 GLU 22 HB2 GLU 22 -7.200 -1.136 2.691 172 HB3 GLU 22 HB1 GLU 22 -8.351 -2.051 3.640 173 HG2 GLU 22 HG2 GLU 22 -9.347 -2.498 1.697 174 HG3 GLU 22 HG1 GLU 22 -9.958 -0.847 1.772 175 H MET 23 HN MET 23 -8.746 1.060 1.382 176 HA MET 23 HA MET 23 -7.650 2.617 0.111 177 HB2 MET 23 HB2 MET 23 -7.996 4.197 2.671 178 HB3 MET 23 HB1 MET 23 -7.580 4.899 1.115 179 HG2 MET 23 HG2 MET 23 -10.108 3.387 1.726 180 HG3 MET 23 HG1 MET 23 -9.954 5.134 1.663 181 HE1 MET 23 HE1 MET 23 -10.690 2.300 -1.754 182 HE2 MET 23 HE2 MET 23 -11.403 2.359 -0.143 183 HE3 MET 23 HE3 MET 23 -9.745 1.799 -0.353 184 H THR 24 HN THR 24 -5.902 0.795 1.019 185 HA THR 24 HA THR 24 -3.502 2.303 1.838 186 HB THR 24 HB THR 24 -2.644 0.122 2.724 187 HG1 THR 24 HG1 THR 24 -5.343 -0.734 2.381 188 HG21 THR 24 HG21 THR 24 -3.442 1.541 4.401 189 HG22 THR 24 HG22 THR 24 -4.319 0.034 4.675 190 HG23 THR 24 HG23 THR 24 -5.116 1.382 3.868 191 H MET 25 HN MET 25 -1.439 1.206 1.172 192 HA MET 25 HA MET 25 -1.618 0.323 -1.622 193 HB2 MET 25 HB2 MET 25 0.880 0.943 -1.638 194 HB3 MET 25 HB1 MET 25 -0.283 2.254 -1.595 195 HG2 MET 25 HG2 MET 25 1.506 2.792 -0.117 196 HG3 MET 25 HG1 MET 25 0.087 2.432 0.860 197 HE1 MET 25 HE1 MET 25 3.810 1.643 0.215 198 HE2 MET 25 HE2 MET 25 3.044 0.485 -0.873 199 HE3 MET 25 HE3 MET 25 3.926 -0.085 0.544 200 H ARG 26 HN ARG 26 -0.040 -1.323 -2.343 201 HA ARG 26 HA ARG 26 0.098 -3.476 -0.403 202 HB2 ARG 26 HB2 ARG 26 0.451 -3.289 -3.370 203 HB3 ARG 26 HB1 ARG 26 1.074 -4.690 -2.509 204 HG2 ARG 26 HG2 ARG 26 -1.117 -5.238 -1.696 205 HG3 ARG 26 HG1 ARG 26 -1.783 -3.750 -2.370 206 HD2 ARG 26 HD2 ARG 26 -0.441 -5.815 -4.090 207 HD3 ARG 26 HD1 ARG 26 -2.152 -5.916 -3.679 208 HE ARG 26 HE ARG 26 -1.784 -3.373 -4.650 209 HH11 ARG 26 HH11 ARG 26 -1.309 -6.606 -5.937 210 HH12 ARG 26 HH12 ARG 26 -1.606 -6.122 -7.573 211 HH21 ARG 26 HH21 ARG 26 -2.169 -2.763 -6.799 212 HH22 ARG 26 HH22 ARG 26 -2.092 -3.948 -8.060 213 H VAL 27 HN VAL 27 1.775 -3.853 0.811 214 HA VAL 27 HA VAL 27 4.370 -2.665 0.197 215 HB VAL 27 HB VAL 27 3.816 -4.229 2.719 216 HG11 VAL 27 HG11 VAL 27 5.618 -1.932 1.995 217 HG12 VAL 27 HG12 VAL 27 6.062 -3.535 2.584 218 HG13 VAL 27 HG13 VAL 27 5.286 -2.382 3.668 219 HG21 VAL 27 HG21 VAL 27 2.901 -1.412 2.167 220 HG22 VAL 27 HG22 VAL 27 3.055 -2.099 3.781 221 HG23 VAL 27 HG23 VAL 27 1.909 -2.793 2.636 222 H LYS 28 HN LYS 28 6.258 -4.282 1.132 223 HA LYS 28 HA LYS 28 6.694 -6.179 -0.827 224 HB2 LYS 28 HB2 LYS 28 7.930 -5.706 1.854 225 HB3 LYS 28 HB1 LYS 28 8.420 -7.100 0.900 226 HG2 LYS 28 HG2 LYS 28 9.006 -5.585 -0.956 227 HG3 LYS 28 HG1 LYS 28 8.590 -4.211 0.070 228 HD2 LYS 28 HD2 LYS 28 10.345 -4.723 1.599 229 HD3 LYS 28 HD1 LYS 28 10.652 -6.275 0.818 230 HE2 LYS 28 HE2 LYS 28 11.393 -5.123 -1.200 231 HE3 LYS 28 HE1 LYS 28 11.053 -3.565 -0.447 232 HZ1 LYS 28 HZ1 LYS 28 13.046 -5.544 0.521 233 HZ2 LYS 28 HZ2 LYS 28 12.736 -4.033 1.214 234 HZ3 LYS 28 HZ3 LYS 28 13.405 -4.129 -0.337 235 H ASP 29 HN ASP 29 6.043 -7.075 2.615 236 HA ASP 29 HA ASP 29 4.852 -9.563 1.575 237 HB2 ASP 29 HB2 ASP 29 6.587 -9.137 4.002 238 HB3 ASP 29 HB1 ASP 29 5.607 -10.582 3.783 239 H LYS 30 HN LYS 30 4.724 -7.186 4.216 240 HA LYS 30 HA LYS 30 2.063 -8.206 4.952 241 HB2 LYS 30 HB2 LYS 30 3.970 -6.493 6.551 242 HB3 LYS 30 HB1 LYS 30 2.411 -7.079 7.108 243 HG2 LYS 30 HG2 LYS 30 3.162 -9.323 7.155 244 HG3 LYS 30 HG1 LYS 30 4.628 -8.921 6.261 245 HD2 LYS 30 HD2 LYS 30 5.131 -7.364 8.278 246 HD3 LYS 30 HD1 LYS 30 3.940 -8.357 9.121 247 HE2 LYS 30 HE2 LYS 30 5.232 -10.361 8.582 248 HE3 LYS 30 HE1 LYS 30 6.415 -9.370 7.727 249 HZ1 LYS 30 HZ1 LYS 30 7.170 -9.909 9.952 250 HZ2 LYS 30 HZ2 LYS 30 5.787 -9.206 10.627 251 HZ3 LYS 30 HZ3 LYS 30 6.912 -8.242 9.811 252 H VAL 31 HN VAL 31 0.306 -6.907 5.045 253 HA VAL 31 HA VAL 31 0.565 -4.208 3.897 254 HB VAL 31 HB VAL 31 -1.993 -5.826 4.141 255 HG11 VAL 31 HG11 VAL 31 -2.368 -3.436 3.898 256 HG12 VAL 31 HG12 VAL 31 -2.841 -4.278 2.422 257 HG13 VAL 31 HG13 VAL 31 -1.316 -3.393 2.482 258 HG21 VAL 31 HG21 VAL 31 -0.445 -7.038 2.696 259 HG22 VAL 31 HG22 VAL 31 -0.181 -5.581 1.737 260 HG23 VAL 31 HG23 VAL 31 -1.769 -6.348 1.755 261 H TYR 32 HN TYR 32 -0.237 -2.431 4.989 262 HA TYR 32 HA TYR 32 -1.316 -2.899 7.697 263 HB2 TYR 32 HB2 TYR 32 0.639 -0.705 6.983 264 HB3 TYR 32 HB1 TYR 32 0.044 -1.117 8.586 265 HD1 TYR 32 HD2 TYR 32 0.918 -3.065 9.767 266 HD2 TYR 32 HD1 TYR 32 2.376 -2.016 5.916 267 HE1 TYR 32 HE2 TYR 32 2.856 -4.539 10.107 268 HE2 TYR 32 HE1 TYR 32 4.313 -3.493 6.237 269 HH TYR 32 HH TYR 32 5.584 -4.488 8.083 270 H HIS 33 HN HIS 33 -2.622 -1.192 8.576 271 HA HIS 33 HA HIS 33 -4.452 -0.001 6.771 272 HB2 HIS 33 HB2 HIS 33 -3.939 0.321 9.718 273 HB3 HIS 33 HB1 HIS 33 -5.121 1.326 8.897 274 HD2 HIS 33 HD2 HIS 33 -7.017 -0.639 7.374 275 HE1 HIS 33 HE1 HIS 33 -7.031 -3.028 10.893 276 HE2 HIS 33 HE2 HIS 33 -8.184 -2.529 8.702 277 H LEU 34 HN LEU 34 -4.901 2.324 6.485 278 HA LEU 34 HA LEU 34 -2.582 3.826 5.853 279 HB2 LEU 34 HB2 LEU 34 -4.098 5.659 5.294 280 HB3 LEU 34 HB1 LEU 34 -4.639 4.146 4.604 281 HG LEU 34 HG LEU 34 -6.107 4.191 6.892 282 HD11 LEU 34 HD11 LEU 34 -5.276 6.391 7.545 283 HD12 LEU 34 HD12 LEU 34 -7.000 6.446 7.176 284 HD13 LEU 34 HD13 LEU 34 -5.828 7.062 6.011 285 HD21 LEU 34 HD21 LEU 34 -7.952 5.018 5.466 286 HD22 LEU 34 HD22 LEU 34 -6.995 3.750 4.701 287 HD23 LEU 34 HD23 LEU 34 -6.767 5.434 4.227 288 H GLU 35 HN GLU 35 -4.927 4.075 8.492 289 HA GLU 35 HA GLU 35 -3.777 6.292 9.824 290 HB2 GLU 35 HB2 GLU 35 -5.544 4.067 10.860 291 HB3 GLU 35 HB1 GLU 35 -5.120 5.498 11.786 292 HG2 GLU 35 HG2 GLU 35 -6.189 6.879 10.007 293 HG3 GLU 35 HG1 GLU 35 -6.737 5.384 9.247 294 H CYS 36 HN CYS 36 -3.032 2.903 9.811 295 HA CYS 36 HA CYS 36 -1.362 3.017 12.188 296 HB2 CYS 36 HB2 CYS 36 -1.753 0.710 10.273 297 HB3 CYS 36 HB1 CYS 36 -1.112 0.635 11.911 298 H PHE 37 HN PHE 37 -0.952 3.888 9.025 299 HA PHE 37 HA PHE 37 1.789 2.953 8.716 300 HB2 PHE 37 HB2 PHE 37 0.028 3.096 6.837 301 HB3 PHE 37 HB1 PHE 37 0.310 4.831 6.863 302 HD1 PHE 37 HD2 PHE 37 2.009 1.565 6.361 303 HD2 PHE 37 HD1 PHE 37 2.087 5.768 5.670 304 HE1 PHE 37 HE2 PHE 37 3.909 1.273 4.829 305 HE2 PHE 37 HE1 PHE 37 3.992 5.482 4.141 306 HZ PHE 37 HZ PHE 37 4.906 3.233 3.718 307 H LYS 38 HN LYS 38 1.895 4.306 10.902 308 HA LYS 38 HA LYS 38 2.928 6.980 10.226 309 HB2 LYS 38 HB2 LYS 38 2.337 7.650 12.583 310 HB3 LYS 38 HB1 LYS 38 0.970 7.355 11.525 311 HG2 LYS 38 HG2 LYS 38 0.636 5.161 12.563 312 HG3 LYS 38 HG1 LYS 38 2.019 5.452 13.620 313 HD2 LYS 38 HD2 LYS 38 0.869 7.397 14.575 314 HD3 LYS 38 HD1 LYS 38 -0.515 7.091 13.523 315 HE2 LYS 38 HE2 LYS 38 -0.841 4.913 14.585 316 HE3 LYS 38 HE1 LYS 38 0.549 5.211 15.629 317 HZ1 LYS 38 HZ1 LYS 38 -1.952 6.814 15.578 318 HZ2 LYS 38 HZ2 LYS 38 -0.620 7.101 16.580 319 HZ3 LYS 38 HZ3 LYS 38 -1.527 5.685 16.764 320 H CYS 39 HN CYS 39 4.594 7.813 11.732 321 HA CYS 39 HA CYS 39 6.778 6.031 11.967 322 HB2 CYS 39 HB2 CYS 39 6.937 8.502 11.597 323 HB3 CYS 39 HB1 CYS 39 6.470 8.736 13.276 324 H ALA 40 HN ALA 40 7.833 5.200 13.775 325 HA ALA 40 HA ALA 40 6.091 4.659 16.050 326 HB1 ALA 40 HB1 ALA 40 7.451 2.810 16.513 327 HB2 ALA 40 HB2 ALA 40 8.805 3.469 15.597 328 HB3 ALA 40 HB3 ALA 40 7.373 2.885 14.753 329 H ALA 41 HN ALA 41 8.617 6.812 15.328 330 HA ALA 41 HA ALA 41 9.460 6.991 18.134 331 HB1 ALA 41 HB1 ALA 41 11.218 6.738 16.417 332 HB2 ALA 41 HB2 ALA 41 11.385 8.209 17.374 333 HB3 ALA 41 HB3 ALA 41 10.738 8.293 15.736 334 H CYS 42 HN CYS 42 8.429 9.150 15.457 335 HA CYS 42 HA CYS 42 7.754 11.173 17.481 336 HB2 CYS 42 HB2 CYS 42 7.904 12.846 15.769 337 HB3 CYS 42 HB1 CYS 42 9.341 11.839 15.674 338 H GLN 43 HN GLN 43 6.287 8.805 15.692 339 HA GLN 43 HA GLN 43 4.159 8.187 15.267 340 HB2 GLN 43 HB2 GLN 43 3.613 10.436 17.184 341 HB3 GLN 43 HB1 GLN 43 2.303 9.526 16.449 342 HG2 GLN 43 HG2 GLN 43 4.518 8.152 17.929 343 HG3 GLN 43 HG1 GLN 43 3.128 8.828 18.775 344 HE21 GLN 43 HE21 GLN 43 4.241 6.375 16.580 345 HE22 GLN 43 HE22 GLN 43 2.824 5.389 16.638 346 H LYS 44 HN LYS 44 5.515 10.591 13.761 347 HA LYS 44 HA LYS 44 3.424 12.142 12.640 348 HB2 LYS 44 HB2 LYS 44 6.046 12.439 12.609 349 HB3 LYS 44 HB1 LYS 44 5.917 11.566 11.091 350 HG2 LYS 44 HG2 LYS 44 4.392 13.271 10.234 351 HG3 LYS 44 HG1 LYS 44 4.505 14.143 11.765 352 HD2 LYS 44 HD2 LYS 44 6.911 14.443 11.410 353 HD3 LYS 44 HD1 LYS 44 6.793 13.574 9.878 354 HE2 LYS 44 HE2 LYS 44 5.271 15.289 9.027 355 HE3 LYS 44 HE1 LYS 44 5.385 16.154 10.558 356 HZ1 LYS 44 HZ1 LYS 44 7.639 15.631 8.694 357 HZ2 LYS 44 HZ2 LYS 44 7.750 16.462 10.164 358 HZ3 LYS 44 HZ3 LYS 44 6.843 17.112 8.893 359 H HIS 45 HN HIS 45 2.792 12.117 10.319 360 HA HIS 45 HA HIS 45 2.173 9.373 9.489 361 HB2 HIS 45 HB2 HIS 45 0.914 12.030 8.789 362 HB3 HIS 45 HB1 HIS 45 0.487 10.525 7.981 363 HD1 HIS 45 HD1 HIS 45 -1.182 9.039 9.132 364 HD2 HIS 45 HD2 HIS 45 0.207 12.088 11.589 365 HE1 HIS 45 HE1 HIS 45 -2.622 8.951 11.191 366 HE2 HIS 45 HE2 HIS 45 -1.710 10.752 12.698 367 H PHE 46 HN PHE 46 2.344 8.729 7.302 368 HA PHE 46 HA PHE 46 4.536 10.064 5.874 369 HB2 PHE 46 HB2 PHE 46 3.521 7.226 5.795 370 HB3 PHE 46 HB1 PHE 46 4.702 7.846 4.656 371 HD1 PHE 46 HD2 PHE 46 4.154 7.643 8.354 372 HD2 PHE 46 HD1 PHE 46 6.921 7.481 5.121 373 HE1 PHE 46 HE2 PHE 46 5.945 7.083 9.928 374 HE2 PHE 46 HE1 PHE 46 8.722 6.912 6.695 375 HZ PHE 46 HZ PHE 46 8.238 6.714 9.103 376 H SER 47 HN SER 47 4.417 10.484 3.699 377 HA SER 47 HA SER 47 1.730 10.412 2.490 378 HB2 SER 47 HB2 SER 47 2.485 12.706 3.190 379 HB3 SER 47 HB1 SER 47 3.817 12.561 2.046 380 HG SER 47 HG SER 47 2.208 12.275 0.398 381 H VAL 48 HN VAL 48 1.676 10.350 0.143 382 HA VAL 48 HA VAL 48 3.409 8.402 -0.957 383 HB VAL 48 HB VAL 48 2.280 9.001 -3.171 384 HG11 VAL 48 HG11 VAL 48 0.182 7.913 -2.516 385 HG12 VAL 48 HG12 VAL 48 0.582 8.180 -0.819 386 HG13 VAL 48 HG13 VAL 48 1.590 7.123 -1.808 387 HG21 VAL 48 HG21 VAL 48 0.566 10.710 -1.357 388 HG22 VAL 48 HG22 VAL 48 0.197 10.297 -3.032 389 HG23 VAL 48 HG23 VAL 48 1.603 11.294 -2.659 390 H GLY 49 HN GLY 49 5.184 8.504 -2.205 391 HA2 GLY 49 HA2 GLY 49 6.538 9.606 -3.884 392 HA3 GLY 49 HA1 GLY 49 6.062 11.145 -3.187 393 H ASP 50 HN ASP 50 6.508 9.969 -0.425 394 HA ASP 50 HA ASP 50 9.369 10.548 -0.312 395 HB2 ASP 50 HB2 ASP 50 7.229 10.383 1.812 396 HB3 ASP 50 HB1 ASP 50 8.936 10.589 2.191 397 H ARG 51 HN ARG 51 10.855 9.246 0.848 398 HA ARG 51 HA ARG 51 10.366 6.404 0.573 399 HB2 ARG 51 HB2 ARG 51 12.834 7.957 1.362 400 HB3 ARG 51 HB1 ARG 51 12.779 6.206 1.223 401 HG2 ARG 51 HG2 ARG 51 12.046 6.559 -1.175 402 HG3 ARG 51 HG1 ARG 51 12.488 8.251 -0.955 403 HD2 ARG 51 HD2 ARG 51 14.764 7.603 -0.392 404 HD3 ARG 51 HD1 ARG 51 14.334 5.900 -0.551 405 HE ARG 51 HE ARG 51 13.807 7.428 -2.921 406 HH11 ARG 51 HH11 ARG 51 16.304 5.655 -1.203 407 HH12 ARG 51 HH12 ARG 51 17.228 5.343 -2.634 408 HH21 ARG 51 HH21 ARG 51 15.034 7.008 -4.782 409 HH22 ARG 51 HH22 ARG 51 16.509 6.109 -4.657 410 H TYR 52 HN TYR 52 10.155 4.929 2.177 411 HA TYR 52 HA TYR 52 10.336 5.897 4.950 412 HB2 TYR 52 HB2 TYR 52 8.330 4.773 5.562 413 HB3 TYR 52 HB1 TYR 52 7.962 5.680 4.106 414 HD1 TYR 52 HD2 TYR 52 7.750 4.443 1.918 415 HD2 TYR 52 HD1 TYR 52 8.073 2.409 5.645 416 HE1 TYR 52 HE2 TYR 52 6.866 2.398 0.878 417 HE2 TYR 52 HE1 TYR 52 7.186 0.365 4.614 418 HH TYR 52 HH TYR 52 6.921 -0.036 1.261 419 H LEU 53 HN LEU 53 10.833 4.336 6.553 420 HA LEU 53 HA LEU 53 12.225 1.963 5.509 421 HB2 LEU 53 HB2 LEU 53 13.656 3.692 6.588 422 HB3 LEU 53 HB1 LEU 53 12.745 3.485 8.069 423 HG LEU 53 HG LEU 53 13.569 0.918 7.540 424 HD11 LEU 53 HD11 LEU 53 15.969 1.063 7.063 425 HD12 LEU 53 HD12 LEU 53 15.795 2.789 6.752 426 HD13 LEU 53 HD13 LEU 53 14.989 1.620 5.708 427 HD21 LEU 53 HD21 LEU 53 13.579 2.131 9.686 428 HD22 LEU 53 HD22 LEU 53 15.039 2.976 9.173 429 HD23 LEU 53 HD23 LEU 53 15.067 1.229 9.400 430 H LEU 54 HN LEU 54 11.579 0.012 6.188 431 HA LEU 54 HA LEU 54 9.353 -0.126 8.075 432 HB2 LEU 54 HB2 LEU 54 9.455 -1.253 5.727 433 HB3 LEU 54 HB1 LEU 54 10.445 -2.457 6.525 434 HG LEU 54 HG LEU 54 7.801 -1.818 7.745 435 HD11 LEU 54 HD11 LEU 54 8.146 -3.496 5.263 436 HD12 LEU 54 HD12 LEU 54 7.251 -1.982 5.387 437 HD13 LEU 54 HD13 LEU 54 6.687 -3.413 6.251 438 HD21 LEU 54 HD21 LEU 54 7.851 -4.214 8.247 439 HD22 LEU 54 HD22 LEU 54 9.310 -3.407 8.821 440 HD23 LEU 54 HD23 LEU 54 9.360 -4.373 7.346 441 H ILE 55 HN ILE 55 9.892 -0.332 10.135 442 HA ILE 55 HA ILE 55 12.350 -1.675 10.904 443 HB ILE 55 HB ILE 55 11.267 0.551 11.914 444 HG12 ILE 55 HG12 ILE 55 12.601 -0.122 14.087 445 HG13 ILE 55 HG11 ILE 55 13.057 -1.512 13.114 446 HG21 ILE 55 HG21 ILE 55 10.376 -1.506 13.923 447 HG22 ILE 55 HG22 ILE 55 9.288 -0.620 12.853 448 HG23 ILE 55 HG23 ILE 55 10.240 0.248 14.058 449 HD11 ILE 55 HD11 ILE 55 14.009 -0.054 11.431 450 HD12 ILE 55 HD12 ILE 55 14.711 0.290 13.011 451 HD13 ILE 55 HD13 ILE 55 13.487 1.365 12.338 452 H ASN 56 HN ASN 56 12.075 -3.014 13.079 453 HA ASN 56 HA ASN 56 11.126 -5.509 12.482 454 HB2 ASN 56 HB2 ASN 56 11.329 -4.312 15.249 455 HB3 ASN 56 HB1 ASN 56 11.311 -6.028 14.866 456 HD21 ASN 56 HD21 ASN 56 13.127 -3.066 14.668 457 HD22 ASN 56 HD22 ASN 56 14.667 -3.790 14.379 458 H SER 57 HN SER 57 9.264 -2.906 14.004 459 HA SER 57 HA SER 57 6.916 -4.684 13.974 460 HB2 SER 57 HB2 SER 57 7.507 -2.439 15.912 461 HB3 SER 57 HB1 SER 57 6.017 -3.381 15.875 462 HG SER 57 HG SER 57 8.112 -3.967 17.234 463 H ASP 58 HN ASP 58 7.713 -1.178 13.911 464 HA ASP 58 HA ASP 58 5.455 -0.815 12.048 465 HB2 ASP 58 HB2 ASP 58 6.380 0.892 14.347 466 HB3 ASP 58 HB1 ASP 58 5.385 1.560 13.059 467 H ILE 59 HN ILE 59 5.969 1.922 11.469 468 HA ILE 59 HA ILE 59 8.407 1.696 9.828 469 HB ILE 59 HB ILE 59 5.982 3.457 9.343 470 HG12 ILE 59 HG12 ILE 59 6.023 1.806 7.215 471 HG13 ILE 59 HG11 ILE 59 6.685 0.721 8.433 472 HG21 ILE 59 HG21 ILE 59 8.466 3.010 7.708 473 HG22 ILE 59 HG22 ILE 59 7.873 4.525 8.387 474 HG23 ILE 59 HG23 ILE 59 6.994 3.748 7.072 475 HD11 ILE 59 HD11 ILE 59 4.090 2.213 8.737 476 HD12 ILE 59 HD12 ILE 59 4.728 0.944 9.784 477 HD13 ILE 59 HD13 ILE 59 4.230 0.561 8.136 478 H VAL 60 HN VAL 60 9.906 3.345 9.804 479 HA VAL 60 HA VAL 60 9.544 5.515 11.775 480 HB VAL 60 HB VAL 60 12.178 4.184 11.056 481 HG11 VAL 60 HG11 VAL 60 12.420 6.527 11.745 482 HG12 VAL 60 HG12 VAL 60 13.101 5.428 12.942 483 HG13 VAL 60 HG13 VAL 60 11.534 6.181 13.230 484 HG21 VAL 60 HG21 VAL 60 10.646 3.921 13.641 485 HG22 VAL 60 HG22 VAL 60 12.137 3.093 13.187 486 HG23 VAL 60 HG23 VAL 60 10.629 2.714 12.355 487 H CYS 61 HN CYS 61 9.623 7.509 10.963 488 HA CYS 61 HA CYS 61 10.009 8.057 8.223 489 HB2 CYS 61 HB2 CYS 61 9.482 10.286 8.727 490 HB3 CYS 61 HB1 CYS 61 8.608 9.352 9.933 491 H GLU 62 HN GLU 62 11.533 9.519 7.240 492 HA GLU 62 HA GLU 62 14.218 8.819 7.655 493 HB2 GLU 62 HB2 GLU 62 12.901 9.813 5.579 494 HB3 GLU 62 HB1 GLU 62 13.544 11.328 6.196 495 HG2 GLU 62 HG2 GLU 62 15.814 10.425 6.042 496 HG3 GLU 62 HG1 GLU 62 15.163 8.910 5.416 497 H GLN 63 HN GLN 63 12.310 11.240 9.175 498 HA GLN 63 HA GLN 63 14.308 13.157 9.790 499 HB2 GLN 63 HB2 GLN 63 11.665 13.218 9.975 500 HB3 GLN 63 HB1 GLN 63 11.999 12.743 11.633 501 HG2 GLN 63 HG2 GLN 63 13.412 14.720 11.914 502 HG3 GLN 63 HG1 GLN 63 13.069 15.196 10.252 503 HE21 GLN 63 HE21 GLN 63 11.027 15.974 9.724 504 HE22 GLN 63 HE22 GLN 63 9.908 16.509 10.926 505 H ASP 64 HN ASP 64 12.946 10.520 11.798 506 HA ASP 64 HA ASP 64 15.274 10.769 13.581 507 HB2 ASP 64 HB2 ASP 64 13.864 9.697 15.328 508 HB3 ASP 64 HB1 ASP 64 13.222 11.234 14.765 509 H ILE 65 HN ILE 65 14.744 9.112 11.035 510 HA ILE 65 HA ILE 65 14.721 6.382 11.601 511 HB ILE 65 HB ILE 65 14.343 7.315 9.373 512 HG12 ILE 65 HG12 ILE 65 15.910 4.981 9.979 513 HG13 ILE 65 HG11 ILE 65 14.695 5.196 8.730 514 HG21 ILE 65 HG21 ILE 65 15.924 9.074 9.202 515 HG22 ILE 65 HG22 ILE 65 16.303 7.920 7.921 516 HG23 ILE 65 HG23 ILE 65 17.283 7.965 9.385 517 HD11 ILE 65 HD11 ILE 65 16.337 5.880 7.150 518 HD12 ILE 65 HD12 ILE 65 16.924 4.409 7.931 519 HD13 ILE 65 HD13 ILE 65 17.581 5.979 8.399 520 H TYR 66 HN TYR 66 17.517 8.553 11.315 521 HA TYR 66 HA TYR 66 19.557 6.640 11.510 522 HB2 TYR 66 HB2 TYR 66 19.890 8.947 10.712 523 HB3 TYR 66 HB1 TYR 66 19.598 9.554 12.335 524 HD1 TYR 66 HD1 TYR 66 21.275 9.299 14.079 525 HD2 TYR 66 HD2 TYR 66 21.998 7.887 10.131 526 HE1 TYR 66 HE1 TYR 66 23.661 9.107 14.597 527 HE2 TYR 66 HE2 TYR 66 24.399 7.693 10.638 528 HH TYR 66 HH TYR 66 26.034 8.644 12.210 529 H GLU 67 HN GLU 67 18.158 8.688 14.086 530 HA GLU 67 HA GLU 67 19.722 7.673 16.193 531 HB2 GLU 67 HB2 GLU 67 17.092 9.130 16.126 532 HB3 GLU 67 HB1 GLU 67 17.825 8.621 17.639 533 HG2 GLU 67 HG2 GLU 67 19.809 9.949 17.127 534 HG3 GLU 67 HG1 GLU 67 19.074 10.456 15.605 535 H TRP 68 HN TRP 68 16.498 6.704 15.031 536 HA TRP 68 HA TRP 68 15.918 4.862 17.099 537 HB2 TRP 68 HB2 TRP 68 14.218 5.824 15.565 538 HB3 TRP 68 HB1 TRP 68 14.888 4.863 14.252 539 HD1 TRP 68 HD1 TRP 68 14.414 2.224 14.283 540 HE1 TRP 68 HE1 TRP 68 12.613 0.820 15.476 541 HE3 TRP 68 HE3 TRP 68 12.814 5.665 17.731 542 HZ2 TRP 68 HZ2 TRP 68 10.770 1.121 17.584 543 HZ3 TRP 68 HZ3 TRP 68 11.031 5.018 19.296 544 HH2 TRP 68 HH2 TRP 68 10.034 2.793 19.222 545 H THR 69 HN THR 69 17.333 4.385 13.870 546 HA THR 69 HA THR 69 17.572 1.571 14.007 547 HB THR 69 HB THR 69 19.287 1.864 12.168 548 HG1 THR 69 HG1 THR 69 19.406 4.011 11.303 549 HG21 THR 69 HG21 THR 69 16.926 1.492 11.665 550 HG22 THR 69 HG22 THR 69 17.643 2.609 10.504 551 HG23 THR 69 HG23 THR 69 16.614 3.222 11.799 552 H LYS 70 HN LYS 70 19.560 4.161 15.155 553 HA LYS 70 HA LYS 70 22.000 2.776 15.514 554 HB2 LYS 70 HB2 LYS 70 21.412 5.332 15.584 555 HB3 LYS 70 HB1 LYS 70 21.170 5.036 17.298 556 HG2 LYS 70 HG2 LYS 70 23.434 4.398 17.605 557 HG3 LYS 70 HG1 LYS 70 23.715 4.314 15.868 558 HD2 LYS 70 HD2 LYS 70 24.668 6.351 16.331 559 HD3 LYS 70 HD1 LYS 70 23.021 6.863 15.975 560 HE2 LYS 70 HE2 LYS 70 23.654 8.006 17.946 561 HE3 LYS 70 HE1 LYS 70 22.570 6.715 18.459 562 HZ1 LYS 70 HZ1 LYS 70 24.495 5.397 19.091 563 HZ2 LYS 70 HZ2 LYS 70 24.498 6.880 19.904 564 HZ3 LYS 70 HZ3 LYS 70 25.538 6.634 18.593 565 H ILE 71 HN ILE 71 19.216 3.284 17.665 566 HA ILE 71 HA ILE 71 20.459 1.849 19.850 567 HB ILE 71 HB ILE 71 17.671 2.987 19.630 568 HG12 ILE 71 HG12 ILE 71 19.422 4.187 21.577 569 HG13 ILE 71 HG11 ILE 71 20.163 4.215 19.981 570 HG21 ILE 71 HG21 ILE 71 17.536 2.701 22.063 571 HG22 ILE 71 HG22 ILE 71 19.102 1.889 22.058 572 HG23 ILE 71 HG23 ILE 71 17.721 1.147 21.250 573 HD11 ILE 71 HD11 ILE 71 18.193 5.291 19.086 574 HD12 ILE 71 HD12 ILE 71 18.910 6.231 20.394 575 HD13 ILE 71 HD13 ILE 71 17.453 5.280 20.684 576 H ASN 72 HN ASN 72 17.713 1.358 17.662 577 HA ASN 72 HA ASN 72 17.134 -1.285 18.658 578 HB2 ASN 72 HB2 ASN 72 16.029 0.370 16.397 579 HB3 ASN 72 HB1 ASN 72 15.534 -1.301 16.651 580 HD21 ASN 72 HD21 ASN 72 15.294 1.952 17.751 581 HD22 ASN 72 HD22 ASN 72 14.110 1.680 18.976 582 H GLY 73 HN GLY 73 19.584 -0.228 16.739 583 HA2 GLY 73 HA2 GLY 73 19.725 -2.802 15.287 584 HA3 GLY 73 HA1 GLY 73 20.241 -1.287 14.559 585 H GLY 74 HN GLY 74 22.369 -1.632 14.262 586 HA2 GLY 74 HA2 GLY 74 24.039 -1.779 16.651 587 HA3 GLY 74 HA1 GLY 74 24.233 -3.075 15.481 588 H SER 75 HN SER 75 25.223 -0.005 16.402 589 HA SER 75 HA SER 75 26.655 0.367 13.854 590 HB2 SER 75 HB2 SER 75 25.460 2.544 15.589 591 HB3 SER 75 HB1 SER 75 26.456 2.814 14.159 592 HG SER 75 HG SER 75 24.694 2.636 13.052 593 H GLY 76 HN GLY 76 28.792 0.605 14.016 594 HA2 GLY 76 HA2 GLY 76 30.020 1.602 16.459 595 HA3 GLY 76 HA1 GLY 76 30.371 -0.073 16.062 596 H GLY 77 HN GLY 77 31.450 -0.532 14.050 597 HA2 GLY 77 HA2 GLY 77 32.725 1.708 12.679 598 HA3 GLY 77 HA1 GLY 77 33.790 0.607 13.539 599 H SER 78 HN SER 78 32.943 -1.831 13.040 600 HA SER 78 HA SER 78 32.764 -2.064 10.108 601 HB2 SER 78 HB2 SER 78 35.065 -2.542 11.003 602 HB3 SER 78 HB1 SER 78 34.374 -3.887 11.910 603 HG SER 78 HG SER 78 33.848 -4.889 9.993 604 H GLY 79 HN GLY 79 31.377 -3.553 9.307 605 HA2 GLY 79 HA2 GLY 79 30.237 -5.613 11.017 606 HA3 GLY 79 HA1 GLY 79 29.118 -4.371 10.476 607 H GLY 80 HN GLY 80 27.956 -4.956 8.789 608 HA2 GLY 80 HA2 GLY 80 29.241 -6.441 6.600 609 HA3 GLY 80 HA1 GLY 80 27.764 -7.078 7.308 610 H SER 81 HN SER 81 26.641 -6.925 5.363 611 HA SER 81 HA SER 81 25.871 -4.184 4.606 612 HB2 SER 81 HB2 SER 81 26.287 -6.526 2.731 613 HB3 SER 81 HB1 SER 81 25.667 -4.942 2.261 614 HG SER 81 HG SER 81 28.236 -5.543 3.304 615 H GLY 82 HN GLY 82 23.727 -3.841 4.087 616 HA2 GLY 82 HA2 GLY 82 21.657 -5.337 3.419 617 HA3 GLY 82 HA1 GLY 82 21.880 -5.884 5.075 618 H GLY 83 HN GLY 83 20.245 -3.761 3.140 619 HA2 GLY 83 HA2 GLY 83 18.630 -2.588 4.945 620 HA3 GLY 83 HA1 GLY 83 20.051 -1.556 5.015 621 H ASP 84 HN ASP 84 17.246 -2.450 3.237 622 HA ASP 84 HA ASP 84 17.870 -0.435 1.176 623 HB2 ASP 84 HB2 ASP 84 17.505 -2.961 0.555 624 HB3 ASP 84 HB1 ASP 84 15.801 -2.573 0.770 625 H VAL 85 HN VAL 85 16.326 1.088 0.665 626 HA VAL 85 HA VAL 85 14.128 1.368 2.602 627 HB VAL 85 HB VAL 85 15.068 3.592 0.789 628 HG11 VAL 85 HG11 VAL 85 12.971 3.980 1.928 629 HG12 VAL 85 HG12 VAL 85 14.217 5.019 2.619 630 HG13 VAL 85 HG13 VAL 85 13.702 3.569 3.480 631 HG21 VAL 85 HG21 VAL 85 16.544 4.397 2.579 632 HG22 VAL 85 HG22 VAL 85 17.068 2.832 1.957 633 HG23 VAL 85 HG23 VAL 85 16.221 2.928 3.500 634 H MET 86 HN MET 86 12.035 1.805 1.925 635 HA MET 86 HA MET 86 11.480 1.351 -0.935 636 HB2 MET 86 HB2 MET 86 9.998 0.386 1.507 637 HB3 MET 86 HB1 MET 86 9.259 0.410 -0.087 638 HG2 MET 86 HG2 MET 86 11.879 -0.957 0.236 639 HG3 MET 86 HG1 MET 86 10.434 -1.746 0.860 640 HE1 MET 86 HE1 MET 86 12.477 -0.510 -1.952 641 HE2 MET 86 HE2 MET 86 11.140 0.205 -2.857 642 HE3 MET 86 HE3 MET 86 11.855 -1.314 -3.392 643 H VAL 87 HN VAL 87 9.722 2.466 -1.863 644 HA VAL 87 HA VAL 87 9.062 4.979 -0.533 645 HB VAL 87 HB VAL 87 8.198 4.490 -3.340 646 HG11 VAL 87 HG11 VAL 87 8.859 6.831 -3.592 647 HG12 VAL 87 HG12 VAL 87 9.468 6.828 -1.937 648 HG13 VAL 87 HG13 VAL 87 7.747 6.603 -2.243 649 HG21 VAL 87 HG21 VAL 87 11.095 5.007 -2.653 650 HG22 VAL 87 HG22 VAL 87 10.392 5.050 -4.269 651 HG23 VAL 87 HG23 VAL 87 10.454 3.531 -3.374 652 H VAL 88 HN VAL 88 6.970 5.647 -0.145 653 HA VAL 88 HA VAL 88 4.994 3.668 0.314 654 HB VAL 88 HB VAL 88 4.362 6.618 0.123 655 HG11 VAL 88 HG11 VAL 88 2.774 6.109 1.928 656 HG12 VAL 88 HG12 VAL 88 3.267 4.417 1.875 657 HG13 VAL 88 HG13 VAL 88 2.463 5.146 0.485 658 HG21 VAL 88 HG21 VAL 88 6.401 6.434 1.459 659 HG22 VAL 88 HG22 VAL 88 5.627 5.227 2.484 660 HG23 VAL 88 HG23 VAL 88 5.022 6.883 2.463 661 H GLY 89 HN GLY 89 3.971 2.608 -1.242 662 HA2 GLY 89 HA2 GLY 89 3.624 3.492 -3.908 663 HA3 GLY 89 HA1 GLY 89 2.846 2.099 -3.177 664 H GLU 90 HN GLU 90 1.783 4.064 -5.071 665 HA GLU 90 HA GLU 90 -0.008 5.851 -3.807 666 HB2 GLU 90 HB2 GLU 90 0.049 4.643 -6.568 667 HB3 GLU 90 HB1 GLU 90 -1.196 5.777 -6.067 668 HG2 GLU 90 HG2 GLU 90 0.341 7.122 -7.155 669 HG3 GLU 90 HG1 GLU 90 0.763 7.332 -5.457 670 HA PRO 91 HA PRO 91 -2.884 2.600 -2.336 671 HB2 PRO 91 HB2 PRO 91 -4.441 4.917 -1.373 672 HB3 PRO 91 HB1 PRO 91 -3.828 3.527 -0.472 673 HG2 PRO 91 HG2 PRO 91 -2.739 5.952 -0.184 674 HG3 PRO 91 HG1 PRO 91 -1.746 4.484 -0.154 675 HD2 PRO 91 HD2 PRO 91 -2.138 6.462 -2.372 676 HD3 PRO 91 HD1 PRO 91 -0.653 5.654 -1.824 677 H THR 92 HN THR 92 -5.155 2.073 -2.706 678 HA THR 92 HA THR 92 -6.151 3.319 -5.175 679 HB THR 92 HB THR 92 -7.627 1.245 -5.299 680 HG1 THR 92 HG1 THR 92 -5.808 -0.118 -3.702 681 HG21 THR 92 HG21 THR 92 -5.828 -0.166 -6.196 682 HG22 THR 92 HG22 THR 92 -4.631 0.865 -5.412 683 HG23 THR 92 HG23 THR 92 -5.644 1.514 -6.702 684 H LEU 93 HN LEU 93 -7.597 4.839 -4.856 685 HA LEU 93 HA LEU 93 -9.174 5.161 -2.529 686 HB2 LEU 93 HB2 LEU 93 -9.364 6.416 -5.265 687 HB3 LEU 93 HB1 LEU 93 -10.377 6.890 -3.917 688 HG LEU 93 HG LEU 93 -8.033 7.253 -2.728 689 HD11 LEU 93 HD11 LEU 93 -7.388 7.644 -5.649 690 HD12 LEU 93 HD12 LEU 93 -6.688 6.427 -4.582 691 HD13 LEU 93 HD13 LEU 93 -6.373 8.138 -4.293 692 HD21 LEU 93 HD21 LEU 93 -8.134 9.603 -3.425 693 HD22 LEU 93 HD22 LEU 93 -9.730 8.962 -3.031 694 HD23 LEU 93 HD23 LEU 93 -9.252 9.164 -4.717 695 H MET 94 HN MET 94 -11.422 5.018 -2.235 696 HA MET 94 HA MET 94 -12.661 2.694 -3.264 697 HB2 MET 94 HB2 MET 94 -13.024 4.080 -1.034 698 HB3 MET 94 HB1 MET 94 -14.289 4.843 -1.985 699 HG2 MET 94 HG2 MET 94 -15.315 2.662 -2.379 700 HG3 MET 94 HG1 MET 94 -14.041 1.893 -1.433 701 HE1 MET 94 HE1 MET 94 -15.889 0.705 0.067 702 HE2 MET 94 HE2 MET 94 -17.164 1.481 -0.871 703 HE3 MET 94 HE3 MET 94 -17.185 1.571 0.890 704 H GLY 95 HN GLY 95 -13.110 6.137 -3.989 705 HA2 GLY 95 HA2 GLY 95 -13.596 6.677 -6.350 706 HA3 GLY 95 HA1 GLY 95 -14.764 5.365 -6.315 707 H GLY 96 HN GLY 96 -14.002 8.452 -4.720 708 HA2 GLY 96 HA2 GLY 96 -16.613 9.501 -5.127 709 HA3 GLY 96 HA1 GLY 96 -16.435 8.931 -3.476 710 H GLU 97 HN GLU 97 -13.861 9.617 -2.871 711 HA GLU 97 HA GLU 97 -14.046 12.536 -2.770 712 HB2 GLU 97 HB2 GLU 97 -12.496 10.518 -1.156 713 HB3 GLU 97 HB1 GLU 97 -12.182 12.244 -1.042 714 HG2 GLU 97 HG2 GLU 97 -14.497 12.614 -0.341 715 HG3 GLU 97 HG1 GLU 97 -14.800 10.880 -0.443 716 H PHE 98 HN PHE 98 -12.315 13.897 -3.265 717 HA PHE 98 HA PHE 98 -10.384 12.764 -5.172 718 HB2 PHE 98 HB2 PHE 98 -11.486 15.564 -4.883 719 HB3 PHE 98 HB1 PHE 98 -10.156 15.154 -5.960 720 HD1 PHE 98 HD1 PHE 98 -13.749 14.863 -5.367 721 HD2 PHE 98 HD2 PHE 98 -10.537 13.877 -7.979 722 HE1 PHE 98 HE1 PHE 98 -15.365 14.264 -7.122 723 HE2 PHE 98 HE2 PHE 98 -12.148 13.276 -9.739 724 HZ PHE 98 HZ PHE 98 -14.565 13.471 -9.312 725 H GLY 99 HN GLY 99 -10.672 14.967 -2.409 726 HA2 GLY 99 HA2 GLY 99 -9.021 15.010 -0.673 727 HA3 GLY 99 HA1 GLY 99 -7.809 14.562 -1.862 728 H ASP 100 HN ASP 100 -8.372 16.915 0.108 729 HA ASP 100 HA ASP 100 -7.698 19.041 -1.816 730 HB2 ASP 100 HB2 ASP 100 -9.369 19.230 0.698 731 HB3 ASP 100 HB1 ASP 100 -8.738 20.638 -0.149 732 H GLU 101 HN GLU 101 -5.502 18.373 -1.501 733 HA GLU 101 HA GLU 101 -4.273 18.818 1.095 734 HB2 GLU 101 HB2 GLU 101 -3.221 17.842 -1.552 735 HB3 GLU 101 HB1 GLU 101 -2.153 18.209 -0.205 736 HG2 GLU 101 HG2 GLU 101 -3.304 16.545 1.165 737 HG3 GLU 101 HG1 GLU 101 -4.378 16.179 -0.185 738 H ASP 102 HN ASP 102 -4.850 20.598 -1.777 739 HA ASP 102 HA ASP 102 -2.637 22.437 -1.452 740 HB2 ASP 102 HB2 ASP 102 -4.974 22.356 -3.358 741 HB3 ASP 102 HB1 ASP 102 -3.796 23.666 -3.345 742 H GLU 103 HN GLU 103 -5.944 22.250 -0.422 743 HA GLU 103 HA GLU 103 -6.162 25.089 0.153 744 HB2 GLU 103 HB2 GLU 103 -8.022 22.754 0.520 745 HB3 GLU 103 HB1 GLU 103 -8.380 24.335 1.197 746 HG2 GLU 103 HG2 GLU 103 -8.265 25.302 -1.064 747 HG3 GLU 103 HG1 GLU 103 -7.979 23.689 -1.716 748 H ARG 104 HN ARG 104 -5.434 22.131 1.860 749 HA ARG 104 HA ARG 104 -5.598 23.433 4.468 750 HB2 ARG 104 HB2 ARG 104 -5.136 20.583 3.610 751 HB3 ARG 104 HB1 ARG 104 -4.912 21.101 5.274 752 HG2 ARG 104 HG2 ARG 104 -7.251 21.837 5.349 753 HG3 ARG 104 HG1 ARG 104 -7.467 21.276 3.689 754 HD2 ARG 104 HD2 ARG 104 -6.919 18.998 4.386 755 HD3 ARG 104 HD1 ARG 104 -6.688 19.557 6.042 756 HE ARG 104 HE ARG 104 -9.263 20.279 5.174 757 HH11 ARG 104 HH11 ARG 104 -7.469 17.393 6.064 758 HH12 ARG 104 HH12 ARG 104 -8.882 16.538 6.585 759 HH21 ARG 104 HH21 ARG 104 -11.097 19.140 5.862 760 HH22 ARG 104 HH22 ARG 104 -10.934 17.527 6.471 761 H LEU 105 HN LEU 105 -3.338 23.281 2.080 762 HA LEU 105 HA LEU 105 -1.017 22.976 3.830 763 HB2 LEU 105 HB2 LEU 105 -1.305 21.973 1.437 764 HB3 LEU 105 HB1 LEU 105 -0.873 23.580 0.893 765 HG LEU 105 HG LEU 105 0.946 22.247 2.846 766 HD11 LEU 105 HD11 LEU 105 2.108 21.087 1.026 767 HD12 LEU 105 HD12 LEU 105 0.814 21.542 -0.083 768 HD13 LEU 105 HD13 LEU 105 0.477 20.461 1.269 769 HD21 LEU 105 HD21 LEU 105 1.391 23.987 0.419 770 HD22 LEU 105 HD22 LEU 105 2.642 23.422 1.528 771 HD23 LEU 105 HD23 LEU 105 1.392 24.528 2.098 772 H ILE 106 HN ILE 106 -2.478 25.393 1.656 773 HA ILE 106 HA ILE 106 -0.695 27.435 2.794 774 HB ILE 106 HB ILE 106 -1.536 28.888 0.874 775 HG12 ILE 106 HG12 ILE 106 -2.086 26.465 -0.740 776 HG13 ILE 106 HG11 ILE 106 -3.349 26.899 0.406 777 HG21 ILE 106 HG21 ILE 106 0.069 27.909 -0.707 778 HG22 ILE 106 HG22 ILE 106 0.108 26.437 0.262 779 HG23 ILE 106 HG23 ILE 106 0.694 27.955 0.941 780 HD11 ILE 106 HD11 ILE 106 -2.220 28.678 -1.745 781 HD12 ILE 106 HD12 ILE 106 -3.470 29.133 -0.588 782 HD13 ILE 106 HD13 ILE 106 -3.784 27.865 -1.771 783 H THR 107 HN THR 107 -1.485 29.394 3.562 784 HA THR 107 HA THR 107 -4.379 29.657 3.947 785 HB THR 107 HB THR 107 -3.921 30.402 6.341 786 HG1 THR 107 HG1 THR 107 -1.617 30.497 6.123 787 HG21 THR 107 HG21 THR 107 -3.468 27.496 5.651 788 HG22 THR 107 HG22 THR 107 -5.034 28.286 5.833 789 HG23 THR 107 HG23 THR 107 -3.967 28.113 7.226 790 H ARG 108 HN ARG 108 -5.110 31.770 4.247 791 HA ARG 108 HA ARG 108 -3.107 33.901 3.879 792 HB2 ARG 108 HB2 ARG 108 -5.736 33.525 2.451 793 HB3 ARG 108 HB1 ARG 108 -4.925 35.082 2.521 794 HG2 ARG 108 HG2 ARG 108 -2.969 34.110 1.411 795 HG3 ARG 108 HG1 ARG 108 -3.795 32.553 1.334 796 HD2 ARG 108 HD2 ARG 108 -4.093 33.531 -0.787 797 HD3 ARG 108 HD1 ARG 108 -5.628 33.749 0.052 798 HE ARG 108 HE ARG 108 -4.095 36.030 0.503 799 HH11 ARG 108 HH11 ARG 108 -5.620 34.445 -2.236 800 HH12 ARG 108 HH12 ARG 108 -5.846 35.923 -3.111 801 HH21 ARG 108 HH21 ARG 108 -4.401 37.951 -0.661 802 HH22 ARG 108 HH22 ARG 108 -5.156 37.905 -2.219 803 H LEU 109 HN LEU 109 -3.558 35.901 4.813 804 HA LEU 109 HA LEU 109 -5.765 35.931 6.769 805 HB2 LEU 109 HB2 LEU 109 -2.950 36.979 7.080 806 HB3 LEU 109 HB1 LEU 109 -4.252 37.352 8.192 807 HG LEU 109 HG LEU 109 -3.610 34.481 7.671 808 HD11 LEU 109 HD11 LEU 109 -2.020 36.286 9.489 809 HD12 LEU 109 HD12 LEU 109 -1.426 35.481 8.038 810 HD13 LEU 109 HD13 LEU 109 -1.914 34.526 9.439 811 HD21 LEU 109 HD21 LEU 109 -4.487 36.015 10.120 812 HD22 LEU 109 HD22 LEU 109 -4.285 34.266 10.014 813 HD23 LEU 109 HD23 LEU 109 -5.532 35.068 9.061 814 H GLU 110 HN GLU 110 -6.762 37.920 7.186 815 HA GLU 110 HA GLU 110 -6.254 40.015 5.173 816 HB2 GLU 110 HB2 GLU 110 -8.852 39.024 6.338 817 HB3 GLU 110 HB1 GLU 110 -8.725 40.574 5.520 818 HG2 GLU 110 HG2 GLU 110 -7.987 39.444 3.485 819 HG3 GLU 110 HG1 GLU 110 -8.102 37.888 4.307 820 H ASN 111 HN ASN 111 -6.412 42.166 5.796 821 HA ASN 111 HA ASN 111 -6.505 42.668 8.700 822 HB2 ASN 111 HB2 ASN 111 -4.650 43.851 6.630 823 HB3 ASN 111 HB1 ASN 111 -4.866 44.549 8.231 824 HD21 ASN 111 HD21 ASN 111 -3.604 41.876 6.411 825 HD22 ASN 111 HD22 ASN 111 -2.643 41.202 7.678 826 H THR 112 HN THR 112 -7.528 44.517 9.400 827 HA THR 112 HA THR 112 -9.006 46.045 7.354 828 HB THR 112 HB THR 112 -10.746 46.406 9.177 829 HG1 THR 112 HG1 THR 112 -9.343 45.575 10.882 830 HG21 THR 112 HG21 THR 112 -11.858 44.259 8.752 831 HG22 THR 112 HG22 THR 112 -10.343 43.599 8.135 832 HG23 THR 112 HG23 THR 112 -11.144 44.917 7.280 833 H GLN 113 HN GLN 113 -7.640 46.183 10.636 834 HA GLN 113 HA GLN 113 -7.588 49.113 10.495 835 HB2 GLN 113 HB2 GLN 113 -7.282 47.175 12.785 836 HB3 GLN 113 HB1 GLN 113 -6.897 48.882 12.945 837 HG2 GLN 113 HG2 GLN 113 -9.197 49.457 12.351 838 HG3 GLN 113 HG1 GLN 113 -9.582 47.744 12.197 839 HE21 GLN 113 HE21 GLN 113 -9.720 46.471 14.046 840 HE22 GLN 113 HE22 GLN 113 -9.877 47.157 15.624 841 H PHE 114 HN PHE 114 -5.727 50.294 10.635 842 HA PHE 114 HA PHE 114 -3.175 48.823 10.633 843 HB2 PHE 114 HB2 PHE 114 -4.068 49.722 8.343 844 HB3 PHE 114 HB1 PHE 114 -3.552 51.288 8.958 845 HD1 PHE 114 HD1 PHE 114 -2.457 48.010 7.770 846 HD2 PHE 114 HD2 PHE 114 -1.205 51.799 9.251 847 HE1 PHE 114 HE1 PHE 114 -0.162 47.541 7.018 848 HE2 PHE 114 HE2 PHE 114 1.092 51.336 8.500 849 HZ PHE 114 HZ PHE 114 1.617 49.206 7.382 850 H ASP 115 HN ASP 115 -1.453 49.817 11.643 851 HA ASP 115 HA ASP 115 -2.050 52.308 13.104 852 HB2 ASP 115 HB2 ASP 115 -0.547 49.857 14.028 853 HB3 ASP 115 HB1 ASP 115 -0.464 51.401 14.868 854 H ALA 116 HN ALA 116 -0.426 53.822 13.319 855 HA ALA 116 HA ALA 116 1.957 53.401 11.634 856 HB1 ALA 116 HB1 ALA 116 1.932 55.789 11.153 857 HB2 ALA 116 HB2 ALA 116 0.502 55.989 12.165 858 HB3 ALA 116 HB3 ALA 116 0.407 55.039 10.683 859 H ALA 117 HN ALA 117 3.939 54.048 12.385 860 HA ALA 117 HA ALA 117 4.091 54.617 15.261 861 HB1 ALA 117 HB1 ALA 117 6.236 53.606 13.398 862 HB2 ALA 117 HB2 ALA 117 5.254 52.611 14.472 863 HB3 ALA 117 HB3 ALA 117 6.377 53.793 15.146 864 H ASN 118 HN ASN 118 5.348 55.730 12.134 865 HA ASN 118 HA ASN 118 6.515 58.094 13.417 866 HB2 ASN 118 HB2 ASN 118 7.720 56.557 11.664 867 HB3 ASN 118 HB1 ASN 118 6.784 57.479 10.492 868 HD21 ASN 118 HD21 ASN 118 9.323 57.583 12.859 869 HD22 ASN 118 HD22 ASN 118 9.966 59.121 12.400 870 H GLY 119 HN GLY 119 5.949 60.180 12.835 871 HA2 GLY 119 HA2 GLY 119 4.464 61.192 10.825 872 HA3 GLY 119 HA1 GLY 119 3.237 60.504 11.875 873 H ILE 120 HN ILE 120 2.334 61.927 13.175 874 HA ILE 120 HA ILE 120 3.920 64.237 14.078 875 HB ILE 120 HB ILE 120 1.627 65.287 14.567 876 HG12 ILE 120 HG12 ILE 120 -0.021 64.379 12.662 877 HG13 ILE 120 HG11 ILE 120 0.796 62.865 13.027 878 HG21 ILE 120 HG21 ILE 120 1.426 66.108 12.265 879 HG22 ILE 120 HG22 ILE 120 2.501 64.819 11.725 880 HG23 ILE 120 HG23 ILE 120 3.099 66.065 12.819 881 HD11 ILE 120 HD11 ILE 120 -1.260 63.087 14.294 882 HD12 ILE 120 HD12 ILE 120 -0.679 64.595 14.999 883 HD13 ILE 120 HD13 ILE 120 0.138 63.077 15.368 884 H ASP 121 HN ASP 121 4.022 64.792 16.203 885 HA ASP 121 HA ASP 121 3.078 62.772 18.110 886 HB2 ASP 121 HB2 ASP 121 5.249 64.864 18.287 887 HB3 ASP 121 HB1 ASP 121 4.719 63.918 19.673 888 H ASP 122 HN ASP 122 1.728 63.234 19.758 889 HA ASP 122 HA ASP 122 0.494 65.897 19.768 890 HB2 ASP 122 HB2 ASP 122 -0.467 63.216 20.772 891 HB3 ASP 122 HB1 ASP 122 -1.311 64.723 21.114 892 H GLU 123 HN GLU 123 0.446 67.180 21.538 893 HA GLU 123 HA GLU 123 2.120 66.368 23.805 894 HB2 GLU 123 HB2 GLU 123 1.275 69.074 22.771 895 HB3 GLU 123 HB1 GLU 123 2.042 68.866 24.338 896 HG2 GLU 123 HG2 GLU 123 3.326 67.841 21.832 897 HG3 GLU 123 HG1 GLU 123 3.502 69.521 22.334 Start of MODEL 14 1 H TYR 1 HT1 TYR 1 -16.708 -18.235 -9.865 2 HA TYR 1 HA TYR 1 -15.761 -21.036 -9.700 3 HB2 TYR 1 HB2 TYR 1 -16.710 -19.366 -12.034 4 HB3 TYR 1 HB1 TYR 1 -15.794 -20.856 -12.226 5 HD1 TYR 1 HD2 TYR 1 -19.019 -19.407 -11.273 6 HD2 TYR 1 HD1 TYR 1 -16.810 -23.012 -11.748 7 HE1 TYR 1 HE2 TYR 1 -21.110 -20.695 -11.159 8 HE2 TYR 1 HE1 TYR 1 -18.895 -24.311 -11.637 9 HH TYR 1 HH TYR 1 -21.175 -24.064 -10.753 10 H LEU 2 HN LEU 2 -15.108 -17.696 -10.688 11 HA LEU 2 HA LEU 2 -12.279 -18.354 -11.101 12 HB2 LEU 2 HB2 LEU 2 -13.747 -17.009 -12.773 13 HB3 LEU 2 HB1 LEU 2 -13.528 -15.679 -11.655 14 HG LEU 2 HG LEU 2 -10.967 -16.259 -11.968 15 HD11 LEU 2 HD11 LEU 2 -12.189 -17.264 -14.535 16 HD12 LEU 2 HD12 LEU 2 -11.324 -18.237 -13.346 17 HD13 LEU 2 HD13 LEU 2 -10.472 -16.986 -14.249 18 HD21 LEU 2 HD21 LEU 2 -11.992 -14.123 -12.503 19 HD22 LEU 2 HD22 LEU 2 -12.619 -14.782 -14.013 20 HD23 LEU 2 HD23 LEU 2 -10.879 -14.611 -13.780 21 H ARG 3 HN ARG 3 -10.827 -17.903 -9.599 22 HA ARG 3 HA ARG 3 -11.472 -16.750 -7.097 23 HB2 ARG 3 HB2 ARG 3 -8.855 -17.494 -8.390 24 HB3 ARG 3 HB1 ARG 3 -8.933 -16.796 -6.780 25 HG2 ARG 3 HG2 ARG 3 -10.328 -18.667 -6.038 26 HG3 ARG 3 HG1 ARG 3 -10.229 -19.371 -7.654 27 HD2 ARG 3 HD2 ARG 3 -7.800 -19.545 -7.427 28 HD3 ARG 3 HD1 ARG 3 -7.897 -18.834 -5.815 29 HE ARG 3 HE ARG 3 -9.554 -21.119 -5.975 30 HH11 ARG 3 HH11 ARG 3 -6.154 -20.256 -5.770 31 HH12 ARG 3 HH12 ARG 3 -5.705 -21.745 -5.006 32 HH21 ARG 3 HH21 ARG 3 -8.942 -23.058 -4.974 33 HH22 ARG 3 HH22 ARG 3 -7.283 -23.329 -4.557 34 H LEU 4 HN LEU 4 -10.718 -14.841 -6.108 35 HA LEU 4 HA LEU 4 -10.091 -12.661 -7.990 36 HB2 LEU 4 HB2 LEU 4 -11.624 -12.603 -5.389 37 HB3 LEU 4 HB1 LEU 4 -11.122 -11.163 -6.252 38 HG LEU 4 HG LEU 4 -12.778 -13.182 -7.702 39 HD11 LEU 4 HD11 LEU 4 -14.823 -12.117 -6.870 40 HD12 LEU 4 HD12 LEU 4 -13.861 -11.177 -5.728 41 HD13 LEU 4 HD13 LEU 4 -13.936 -12.934 -5.581 42 HD21 LEU 4 HD21 LEU 4 -13.644 -11.172 -8.799 43 HD22 LEU 4 HD22 LEU 4 -11.885 -11.252 -8.905 44 HD23 LEU 4 HD23 LEU 4 -12.650 -10.166 -7.746 45 H PHE 5 HN PHE 5 -8.391 -11.352 -7.601 46 HA PHE 5 HA PHE 5 -6.695 -11.998 -5.280 47 HB2 PHE 5 HB2 PHE 5 -5.981 -10.895 -8.004 48 HB3 PHE 5 HB1 PHE 5 -4.841 -10.997 -6.667 49 HD1 PHE 5 HD1 PHE 5 -6.730 -12.881 -9.162 50 HD2 PHE 5 HD2 PHE 5 -3.967 -13.131 -5.935 51 HE1 PHE 5 HE1 PHE 5 -6.180 -15.188 -9.816 52 HE2 PHE 5 HE2 PHE 5 -3.412 -15.438 -6.583 53 HZ PHE 5 HZ PHE 5 -4.518 -16.469 -8.526 54 H GLY 6 HN GLY 6 -5.672 -10.321 -4.126 55 HA2 GLY 6 HA2 GLY 6 -5.907 -7.578 -4.650 56 HA3 GLY 6 HA1 GLY 6 -7.257 -8.047 -3.628 57 H GLN 7 HN GLN 7 -6.930 -7.710 -1.558 58 HA GLN 7 HA GLN 7 -4.202 -7.522 -0.514 59 HB2 GLN 7 HB2 GLN 7 -6.883 -6.612 0.528 60 HB3 GLN 7 HB1 GLN 7 -5.444 -6.607 1.537 61 HG2 GLN 7 HG2 GLN 7 -4.345 -5.093 -0.033 62 HG3 GLN 7 HG1 GLN 7 -5.785 -5.104 -1.050 63 HE21 GLN 7 HE21 GLN 7 -7.635 -4.029 -0.356 64 HE22 GLN 7 HE22 GLN 7 -7.595 -2.858 0.914 65 H ASP 8 HN ASP 8 -4.016 -8.274 1.890 66 HA ASP 8 HA ASP 8 -4.458 -11.106 1.933 67 HB2 ASP 8 HB2 ASP 8 -3.240 -9.193 3.925 68 HB3 ASP 8 HB1 ASP 8 -3.392 -10.920 4.236 69 H GLY 9 HN GLY 9 -5.750 -8.358 3.793 70 HA2 GLY 9 HA2 GLY 9 -8.129 -8.420 4.355 71 HA3 GLY 9 HA1 GLY 9 -7.936 -10.129 4.693 72 H LEU 10 HN LEU 10 -5.263 -9.302 6.066 73 HA LEU 10 HA LEU 10 -6.479 -8.333 8.572 74 HB2 LEU 10 HB2 LEU 10 -4.640 -10.634 8.074 75 HB3 LEU 10 HB1 LEU 10 -4.478 -9.757 9.576 76 HG LEU 10 HG LEU 10 -5.799 -11.767 9.889 77 HD11 LEU 10 HD11 LEU 10 -6.334 -9.669 11.172 78 HD12 LEU 10 HD12 LEU 10 -7.604 -10.890 11.111 79 HD13 LEU 10 HD13 LEU 10 -7.709 -9.459 10.089 80 HD21 LEU 10 HD21 LEU 10 -7.993 -12.067 8.855 81 HD22 LEU 10 HD22 LEU 10 -6.702 -12.045 7.654 82 HD23 LEU 10 HD23 LEU 10 -7.727 -10.627 7.873 83 H CYS 11 HN CYS 11 -5.208 -7.063 9.943 84 HA CYS 11 HA CYS 11 -3.001 -5.665 8.608 85 HB2 CYS 11 HB2 CYS 11 -4.899 -4.318 9.470 86 HB3 CYS 11 HB1 CYS 11 -4.539 -4.889 11.096 87 H ALA 12 HN ALA 12 -1.017 -6.152 9.119 88 HA ALA 12 HA ALA 12 -0.285 -8.005 11.122 89 HB1 ALA 12 HB1 ALA 12 1.427 -6.160 9.476 90 HB2 ALA 12 HB2 ALA 12 0.961 -7.814 9.079 91 HB3 ALA 12 HB3 ALA 12 2.025 -7.504 10.450 92 H SER 13 HN SER 13 -1.018 -4.753 11.591 93 HA SER 13 HA SER 13 0.852 -4.537 13.854 94 HB2 SER 13 HB2 SER 13 1.059 -2.745 12.187 95 HB3 SER 13 HB1 SER 13 -0.634 -2.322 12.427 96 HG SER 13 HG SER 13 -0.152 -1.685 14.514 97 H CYS 14 HN CYS 14 -2.545 -3.682 13.029 98 HA CYS 14 HA CYS 14 -3.156 -3.675 15.891 99 HB2 CYS 14 HB2 CYS 14 -5.164 -2.486 15.368 100 HB3 CYS 14 HB1 CYS 14 -3.851 -1.741 14.467 101 H ASP 15 HN ASP 15 -3.164 -5.903 13.465 102 HA ASP 15 HA ASP 15 -4.071 -7.953 13.119 103 HB2 ASP 15 HB2 ASP 15 -4.732 -7.655 16.053 104 HB3 ASP 15 HB1 ASP 15 -5.012 -9.142 15.154 105 H LYS 16 HN LYS 16 -5.789 -5.538 12.700 106 HA LYS 16 HA LYS 16 -8.473 -6.681 13.032 107 HB2 LYS 16 HB2 LYS 16 -7.662 -3.895 12.180 108 HB3 LYS 16 HB1 LYS 16 -9.309 -4.443 12.415 109 HG2 LYS 16 HG2 LYS 16 -7.305 -4.501 14.635 110 HG3 LYS 16 HG1 LYS 16 -8.207 -3.041 14.242 111 HD2 LYS 16 HD2 LYS 16 -10.314 -4.252 14.594 112 HD3 LYS 16 HD1 LYS 16 -9.407 -5.712 14.993 113 HE2 LYS 16 HE2 LYS 16 -8.394 -4.556 16.900 114 HE3 LYS 16 HE1 LYS 16 -9.305 -3.101 16.501 115 HZ1 LYS 16 HZ1 LYS 16 -10.480 -5.718 17.270 116 HZ2 LYS 16 HZ2 LYS 16 -11.355 -4.322 16.890 117 HZ3 LYS 16 HZ3 LYS 16 -10.371 -4.355 18.266 118 H ARG 17 HN ARG 17 -9.859 -6.970 11.301 119 HA ARG 17 HA ARG 17 -8.728 -7.766 8.840 120 HB2 ARG 17 HB2 ARG 17 -11.629 -7.189 9.492 121 HB3 ARG 17 HB1 ARG 17 -11.055 -8.066 8.082 122 HG2 ARG 17 HG2 ARG 17 -9.996 -9.685 9.764 123 HG3 ARG 17 HG1 ARG 17 -11.045 -8.916 10.953 124 HD2 ARG 17 HD2 ARG 17 -12.998 -9.463 9.572 125 HD3 ARG 17 HD1 ARG 17 -11.942 -10.260 8.406 126 HE ARG 17 HE ARG 17 -11.516 -11.392 10.938 127 HH11 ARG 17 HH11 ARG 17 -14.009 -11.300 8.466 128 HH12 ARG 17 HH12 ARG 17 -14.660 -12.845 8.903 129 HH21 ARG 17 HH21 ARG 17 -12.385 -13.411 11.493 130 HH22 ARG 17 HH22 ARG 17 -13.741 -14.037 10.615 131 H ILE 18 HN ILE 18 -8.106 -6.574 7.149 132 HA ILE 18 HA ILE 18 -8.816 -3.768 7.015 133 HB ILE 18 HB ILE 18 -6.945 -5.431 5.302 134 HG12 ILE 18 HG12 ILE 18 -6.440 -3.235 7.323 135 HG13 ILE 18 HG11 ILE 18 -6.256 -4.953 7.652 136 HG21 ILE 18 HG21 ILE 18 -7.963 -3.596 3.972 137 HG22 ILE 18 HG22 ILE 18 -6.232 -3.371 4.220 138 HG23 ILE 18 HG23 ILE 18 -7.387 -2.439 5.173 139 HD11 ILE 18 HD11 ILE 18 -4.615 -3.351 5.696 140 HD12 ILE 18 HD12 ILE 18 -4.447 -5.078 6.006 141 HD13 ILE 18 HD13 ILE 18 -4.097 -3.915 7.285 142 H ARG 19 HN ARG 19 -10.806 -3.462 6.420 143 HA ARG 19 HA ARG 19 -11.643 -4.167 3.719 144 HB2 ARG 19 HB2 ARG 19 -13.110 -5.084 6.187 145 HB3 ARG 19 HB1 ARG 19 -13.944 -4.858 4.657 146 HG2 ARG 19 HG2 ARG 19 -12.434 -6.492 3.611 147 HG3 ARG 19 HG1 ARG 19 -11.649 -6.739 5.173 148 HD2 ARG 19 HD2 ARG 19 -13.762 -7.513 6.120 149 HD3 ARG 19 HD1 ARG 19 -14.562 -7.244 4.571 150 HE ARG 19 HE ARG 19 -12.342 -8.984 4.274 151 HH11 ARG 19 HH11 ARG 19 -15.657 -8.959 5.435 152 HH12 ARG 19 HH12 ARG 19 -15.892 -10.650 5.145 153 HH21 ARG 19 HH21 ARG 19 -12.674 -11.196 3.902 154 HH22 ARG 19 HH22 ARG 19 -14.205 -11.914 4.278 155 H ALA 20 HN ALA 20 -13.389 -2.921 2.920 156 HA ALA 20 HA ALA 20 -14.502 -1.008 2.488 157 HB1 ALA 20 HB1 ALA 20 -15.973 -1.940 4.219 158 HB2 ALA 20 HB2 ALA 20 -16.020 -0.178 4.169 159 HB3 ALA 20 HB3 ALA 20 -15.113 -1.000 5.439 160 H TYR 21 HN TYR 21 -13.197 -0.124 5.716 161 HA TYR 21 HA TYR 21 -12.733 2.569 5.113 162 HB2 TYR 21 HB2 TYR 21 -12.792 1.246 7.387 163 HB3 TYR 21 HB1 TYR 21 -11.055 1.132 7.140 164 HD1 TYR 21 HD2 TYR 21 -9.650 3.127 7.251 165 HD2 TYR 21 HD1 TYR 21 -13.846 3.360 7.907 166 HE1 TYR 21 HE2 TYR 21 -9.365 5.361 8.240 167 HE2 TYR 21 HE1 TYR 21 -13.575 5.592 8.899 168 HH TYR 21 HH TYR 21 -11.825 6.921 9.987 169 H GLU 22 HN GLU 22 -10.237 0.061 5.561 170 HA GLU 22 HA GLU 22 -7.988 0.140 5.073 171 HB2 GLU 22 HB2 GLU 22 -7.781 -0.281 2.509 172 HB3 GLU 22 HB1 GLU 22 -8.585 -1.441 3.543 173 HG2 GLU 22 HG2 GLU 22 -10.265 -1.379 2.090 174 HG3 GLU 22 HG1 GLU 22 -10.640 0.212 2.745 175 H MET 23 HN MET 23 -8.821 1.915 2.074 176 HA MET 23 HA MET 23 -7.866 3.742 1.063 177 HB2 MET 23 HB2 MET 23 -8.139 4.661 3.923 178 HB3 MET 23 HB1 MET 23 -7.498 5.725 2.678 179 HG2 MET 23 HG2 MET 23 -10.097 4.339 2.227 180 HG3 MET 23 HG1 MET 23 -10.036 5.752 3.275 181 HE1 MET 23 HE1 MET 23 -8.277 7.890 2.201 182 HE2 MET 23 HE2 MET 23 -10.001 8.153 2.470 183 HE3 MET 23 HE3 MET 23 -9.254 8.675 0.960 184 H THR 24 HN THR 24 -6.027 1.631 2.079 185 HA THR 24 HA THR 24 -3.555 3.222 2.299 186 HB THR 24 HB THR 24 -3.951 2.036 4.363 187 HG1 THR 24 HG1 THR 24 -1.873 0.676 3.015 188 HG21 THR 24 HG21 THR 24 -3.964 -0.511 2.754 189 HG22 THR 24 HG22 THR 24 -5.329 0.175 3.633 190 HG23 THR 24 HG23 THR 24 -3.926 -0.426 4.515 191 H MET 25 HN MET 25 -1.592 1.633 1.765 192 HA MET 25 HA MET 25 -2.168 0.583 -0.887 193 HB2 MET 25 HB2 MET 25 0.210 1.009 -1.441 194 HB3 MET 25 HB1 MET 25 -0.628 2.471 -0.957 195 HG2 MET 25 HG2 MET 25 1.151 0.860 0.865 196 HG3 MET 25 HG1 MET 25 1.683 2.258 -0.066 197 HE1 MET 25 HE1 MET 25 1.037 2.836 4.011 198 HE2 MET 25 HE2 MET 25 2.219 2.125 2.912 199 HE3 MET 25 HE3 MET 25 0.781 1.213 3.368 200 H ARG 26 HN ARG 26 -0.504 -1.147 -1.622 201 HA ARG 26 HA ARG 26 -0.500 -3.253 0.409 202 HB2 ARG 26 HB2 ARG 26 -1.409 -3.430 -2.057 203 HB3 ARG 26 HB1 ARG 26 0.282 -3.701 -2.451 204 HG2 ARG 26 HG2 ARG 26 0.313 -5.605 -0.888 205 HG3 ARG 26 HG1 ARG 26 -1.405 -5.351 -0.579 206 HD2 ARG 26 HD2 ARG 26 -1.897 -5.747 -2.934 207 HD3 ARG 26 HD1 ARG 26 -0.178 -5.964 -3.266 208 HE ARG 26 HE ARG 26 -1.083 -7.747 -1.246 209 HH11 ARG 26 HH11 ARG 26 -1.087 -7.307 -4.729 210 HH12 ARG 26 HH12 ARG 26 -1.231 -9.000 -5.060 211 HH21 ARG 26 HH21 ARG 26 -1.271 -9.962 -1.702 212 HH22 ARG 26 HH22 ARG 26 -1.335 -10.502 -3.346 213 H VAL 27 HN VAL 27 1.295 -3.922 1.378 214 HA VAL 27 HA VAL 27 3.873 -2.815 0.547 215 HB VAL 27 HB VAL 27 3.572 -4.464 3.047 216 HG11 VAL 27 HG11 VAL 27 5.166 -2.673 3.892 217 HG12 VAL 27 HG12 VAL 27 5.285 -2.132 2.217 218 HG13 VAL 27 HG13 VAL 27 5.789 -3.764 2.656 219 HG21 VAL 27 HG21 VAL 27 2.398 -1.753 2.603 220 HG22 VAL 27 HG22 VAL 27 3.096 -2.147 4.172 221 HG23 VAL 27 HG23 VAL 27 1.766 -3.113 3.533 222 H LYS 28 HN LYS 28 5.755 -4.555 1.233 223 HA LYS 28 HA LYS 28 6.082 -6.317 -0.800 224 HB2 LYS 28 HB2 LYS 28 7.183 -6.362 1.992 225 HB3 LYS 28 HB1 LYS 28 7.658 -7.571 0.809 226 HG2 LYS 28 HG2 LYS 28 8.484 -5.807 -0.666 227 HG3 LYS 28 HG1 LYS 28 8.002 -4.592 0.520 228 HD2 LYS 28 HD2 LYS 28 9.537 -5.589 2.153 229 HD3 LYS 28 HD1 LYS 28 10.023 -6.791 0.956 230 HE2 LYS 28 HE2 LYS 28 10.866 -5.011 -0.491 231 HE3 LYS 28 HE1 LYS 28 10.371 -3.807 0.698 232 HZ1 LYS 28 HZ1 LYS 28 12.724 -4.300 0.874 233 HZ2 LYS 28 HZ2 LYS 28 12.393 -5.939 1.133 234 HZ3 LYS 28 HZ3 LYS 28 11.916 -4.788 2.278 235 H ASP 29 HN ASP 29 5.238 -7.580 2.475 236 HA ASP 29 HA ASP 29 3.830 -9.784 1.112 237 HB2 ASP 29 HB2 ASP 29 5.539 -9.842 3.596 238 HB3 ASP 29 HB1 ASP 29 4.426 -11.141 3.184 239 H LYS 30 HN LYS 30 3.892 -7.732 4.003 240 HA LYS 30 HA LYS 30 1.164 -8.587 4.679 241 HB2 LYS 30 HB2 LYS 30 3.184 -7.027 6.298 242 HB3 LYS 30 HB1 LYS 30 1.584 -7.485 6.857 243 HG2 LYS 30 HG2 LYS 30 2.144 -9.782 6.889 244 HG3 LYS 30 HG1 LYS 30 3.631 -9.504 5.984 245 HD2 LYS 30 HD2 LYS 30 4.302 -8.017 7.994 246 HD3 LYS 30 HD1 LYS 30 3.019 -8.875 8.850 247 HE2 LYS 30 HE2 LYS 30 4.091 -11.005 8.328 248 HE3 LYS 30 HE1 LYS 30 5.361 -10.157 7.448 249 HZ1 LYS 30 HZ1 LYS 30 6.002 -9.064 9.510 250 HZ2 LYS 30 HZ2 LYS 30 6.078 -10.746 9.674 251 HZ3 LYS 30 HZ3 LYS 30 4.786 -9.888 10.351 252 H VAL 31 HN VAL 31 -0.472 -7.071 5.132 253 HA VAL 31 HA VAL 31 -0.119 -4.464 3.797 254 HB VAL 31 HB VAL 31 -2.803 -5.738 4.360 255 HG11 VAL 31 HG11 VAL 31 -3.560 -4.306 2.513 256 HG12 VAL 31 HG12 VAL 31 -1.923 -3.674 2.340 257 HG13 VAL 31 HG13 VAL 31 -2.835 -3.365 3.817 258 HG21 VAL 31 HG21 VAL 31 -1.566 -7.346 3.010 259 HG22 VAL 31 HG22 VAL 31 -1.161 -6.082 1.849 260 HG23 VAL 31 HG23 VAL 31 -2.839 -6.584 2.057 261 H TYR 32 HN TYR 32 -0.393 -2.631 4.945 262 HA TYR 32 HA TYR 32 -1.408 -2.864 7.709 263 HB2 TYR 32 HB2 TYR 32 0.801 -1.085 6.656 264 HB3 TYR 32 HB1 TYR 32 0.149 -1.006 8.287 265 HD1 TYR 32 HD2 TYR 32 2.054 -3.129 5.930 266 HD2 TYR 32 HD1 TYR 32 0.876 -2.508 9.965 267 HE1 TYR 32 HE2 TYR 32 3.697 -4.805 6.656 268 HE2 TYR 32 HE1 TYR 32 2.517 -4.183 10.709 269 HH TYR 32 HH TYR 32 3.720 -6.120 9.782 270 H HIS 33 HN HIS 33 -2.719 -1.257 8.509 271 HA HIS 33 HA HIS 33 -4.347 0.217 6.720 272 HB2 HIS 33 HB2 HIS 33 -3.990 0.272 9.711 273 HB3 HIS 33 HB1 HIS 33 -5.083 1.384 8.903 274 HD2 HIS 33 HD2 HIS 33 -7.038 -0.270 7.201 275 HE1 HIS 33 HE1 HIS 33 -7.181 -3.118 10.359 276 HE2 HIS 33 HE2 HIS 33 -8.366 -2.187 8.332 277 H LEU 34 HN LEU 34 -4.703 2.644 6.885 278 HA LEU 34 HA LEU 34 -2.314 4.038 6.275 279 HB2 LEU 34 HB2 LEU 34 -3.714 6.044 6.127 280 HB3 LEU 34 HB1 LEU 34 -4.415 4.693 5.262 281 HG LEU 34 HG LEU 34 -5.625 4.554 7.755 282 HD11 LEU 34 HD11 LEU 34 -5.412 7.436 6.901 283 HD12 LEU 34 HD12 LEU 34 -4.745 6.729 8.374 284 HD13 LEU 34 HD13 LEU 34 -6.493 6.811 8.146 285 HD21 LEU 34 HD21 LEU 34 -6.575 5.846 5.204 286 HD22 LEU 34 HD22 LEU 34 -7.614 5.369 6.548 287 HD23 LEU 34 HD23 LEU 34 -6.721 4.145 5.647 288 H GLU 35 HN GLU 35 -4.467 4.179 9.103 289 HA GLU 35 HA GLU 35 -2.946 6.042 10.607 290 HB2 GLU 35 HB2 GLU 35 -5.032 4.010 11.390 291 HB3 GLU 35 HB1 GLU 35 -4.267 5.069 12.565 292 HG2 GLU 35 HG2 GLU 35 -5.085 7.017 11.278 293 HG3 GLU 35 HG1 GLU 35 -5.932 5.906 10.203 294 H CYS 36 HN CYS 36 -2.775 2.591 10.202 295 HA CYS 36 HA CYS 36 -0.991 2.141 12.433 296 HB2 CYS 36 HB2 CYS 36 -1.720 0.226 10.210 297 HB3 CYS 36 HB1 CYS 36 -1.071 -0.175 11.796 298 H PHE 37 HN PHE 37 -0.624 3.254 9.279 299 HA PHE 37 HA PHE 37 2.105 2.230 8.974 300 HB2 PHE 37 HB2 PHE 37 0.373 2.181 7.082 301 HB3 PHE 37 HB1 PHE 37 0.559 3.927 6.998 302 HD1 PHE 37 HD2 PHE 37 2.368 0.716 6.624 303 HD2 PHE 37 HD1 PHE 37 2.343 4.898 5.820 304 HE1 PHE 37 HE2 PHE 37 4.280 0.430 5.106 305 HE2 PHE 37 HE1 PHE 37 4.269 4.620 4.305 306 HZ PHE 37 HZ PHE 37 5.235 2.384 3.945 307 H LYS 38 HN LYS 38 2.174 3.756 11.058 308 HA LYS 38 HA LYS 38 3.166 6.384 10.171 309 HB2 LYS 38 HB2 LYS 38 2.523 7.249 12.448 310 HB3 LYS 38 HB1 LYS 38 1.178 6.832 11.402 311 HG2 LYS 38 HG2 LYS 38 0.877 4.730 12.629 312 HG3 LYS 38 HG1 LYS 38 2.231 5.153 13.679 313 HD2 LYS 38 HD2 LYS 38 1.019 7.139 14.439 314 HD3 LYS 38 HD1 LYS 38 -0.332 6.721 13.383 315 HE2 LYS 38 HE2 LYS 38 -0.641 4.628 14.615 316 HE3 LYS 38 HE1 LYS 38 0.705 5.052 15.672 317 HZ1 LYS 38 HZ1 LYS 38 -0.537 6.986 16.418 318 HZ2 LYS 38 HZ2 LYS 38 -1.420 5.570 16.694 319 HZ3 LYS 38 HZ3 LYS 38 -1.828 6.581 15.401 320 H CYS 39 HN CYS 39 4.795 7.377 11.575 321 HA CYS 39 HA CYS 39 7.010 5.676 12.020 322 HB2 CYS 39 HB2 CYS 39 7.056 8.137 11.410 323 HB3 CYS 39 HB1 CYS 39 6.673 8.476 13.092 324 H ALA 40 HN ALA 40 8.053 5.053 13.912 325 HA ALA 40 HA ALA 40 6.324 4.838 16.261 326 HB1 ALA 40 HB1 ALA 40 7.918 3.126 17.016 327 HB2 ALA 40 HB2 ALA 40 8.902 3.429 15.584 328 HB3 ALA 40 HB3 ALA 40 7.273 2.777 15.413 329 H ALA 41 HN ALA 41 8.675 6.920 15.196 330 HA ALA 41 HA ALA 41 9.767 7.404 17.881 331 HB1 ALA 41 HB1 ALA 41 11.595 8.555 16.828 332 HB2 ALA 41 HB2 ALA 41 10.813 8.437 15.253 333 HB3 ALA 41 HB3 ALA 41 11.391 6.980 16.061 334 H CYS 42 HN CYS 42 8.415 9.163 15.071 335 HA CYS 42 HA CYS 42 7.804 11.407 16.878 336 HB2 CYS 42 HB2 CYS 42 7.765 12.860 14.938 337 HB3 CYS 42 HB1 CYS 42 9.280 11.969 14.976 338 H GLN 43 HN GLN 43 6.367 8.805 15.422 339 HA GLN 43 HA GLN 43 4.252 8.069 15.139 340 HB2 GLN 43 HB2 GLN 43 3.668 10.507 16.799 341 HB3 GLN 43 HB1 GLN 43 2.379 9.463 16.220 342 HG2 GLN 43 HG2 GLN 43 4.691 8.362 17.776 343 HG3 GLN 43 HG1 GLN 43 3.303 9.085 18.585 344 HE21 GLN 43 HE21 GLN 43 4.438 6.431 16.650 345 HE22 GLN 43 HE22 GLN 43 3.065 5.408 16.881 346 H LYS 44 HN LYS 44 5.482 10.358 13.352 347 HA LYS 44 HA LYS 44 3.301 11.687 12.120 348 HB2 LYS 44 HB2 LYS 44 5.887 12.135 12.019 349 HB3 LYS 44 HB1 LYS 44 5.820 11.077 10.619 350 HG2 LYS 44 HG2 LYS 44 4.184 12.571 9.575 351 HG3 LYS 44 HG1 LYS 44 4.262 13.633 10.981 352 HD2 LYS 44 HD2 LYS 44 6.646 14.015 10.555 353 HD3 LYS 44 HD1 LYS 44 6.563 12.953 9.148 354 HE2 LYS 44 HE2 LYS 44 6.426 15.151 8.304 355 HE3 LYS 44 HE1 LYS 44 4.786 14.509 8.242 356 HZ1 LYS 44 HZ1 LYS 44 4.284 15.697 10.288 357 HZ2 LYS 44 HZ2 LYS 44 4.819 16.767 9.092 358 HZ3 LYS 44 HZ3 LYS 44 5.859 16.313 10.345 359 H HIS 45 HN HIS 45 2.597 11.393 9.868 360 HA HIS 45 HA HIS 45 2.200 8.545 9.284 361 HB2 HIS 45 HB2 HIS 45 0.307 9.359 7.822 362 HB3 HIS 45 HB1 HIS 45 0.106 9.669 9.540 363 HD1 HIS 45 HD1 HIS 45 0.195 11.333 6.272 364 HD2 HIS 45 HD2 HIS 45 0.496 12.450 10.263 365 HE1 HIS 45 HE1 HIS 45 -0.167 13.820 6.302 366 HE2 HIS 45 HE2 HIS 45 -0.072 14.460 8.737 367 H PHE 46 HN PHE 46 2.325 7.755 7.133 368 HA PHE 46 HA PHE 46 4.277 9.223 5.493 369 HB2 PHE 46 HB2 PHE 46 3.714 6.279 5.743 370 HB3 PHE 46 HB1 PHE 46 4.753 6.945 4.499 371 HD1 PHE 46 HD2 PHE 46 4.332 6.844 8.203 372 HD2 PHE 46 HD1 PHE 46 7.009 7.175 4.913 373 HE1 PHE 46 HE2 PHE 46 6.224 6.732 9.751 374 HE2 PHE 46 HE1 PHE 46 8.920 7.058 6.461 375 HZ PHE 46 HZ PHE 46 8.526 6.837 8.887 376 H SER 47 HN SER 47 3.810 9.820 3.531 377 HA SER 47 HA SER 47 1.332 8.877 2.253 378 HB2 SER 47 HB2 SER 47 2.529 11.661 2.162 379 HB3 SER 47 HB1 SER 47 1.099 11.140 1.270 380 HG SER 47 HG SER 47 0.585 12.202 3.248 381 H VAL 48 HN VAL 48 1.369 9.391 -0.199 382 HA VAL 48 HA VAL 48 3.510 7.979 -1.391 383 HB VAL 48 HB VAL 48 2.486 8.781 -3.595 384 HG11 VAL 48 HG11 VAL 48 0.711 7.306 -1.659 385 HG12 VAL 48 HG12 VAL 48 2.040 6.600 -2.578 386 HG13 VAL 48 HG13 VAL 48 0.626 7.236 -3.419 387 HG21 VAL 48 HG21 VAL 48 0.347 9.831 -1.733 388 HG22 VAL 48 HG22 VAL 48 0.195 9.668 -3.482 389 HG23 VAL 48 HG23 VAL 48 1.364 10.799 -2.801 390 H GLY 49 HN GLY 49 5.235 8.597 -2.630 391 HA2 GLY 49 HA2 GLY 49 6.444 10.248 -3.921 392 HA3 GLY 49 HA1 GLY 49 5.772 11.487 -2.876 393 H ASP 50 HN ASP 50 6.290 10.033 -0.411 394 HA ASP 50 HA ASP 50 9.149 10.616 -0.181 395 HB2 ASP 50 HB2 ASP 50 6.951 10.318 1.869 396 HB3 ASP 50 HB1 ASP 50 8.650 10.459 2.310 397 H ARG 51 HN ARG 51 10.592 9.207 0.900 398 HA ARG 51 HA ARG 51 9.976 6.393 0.483 399 HB2 ARG 51 HB2 ARG 51 12.426 6.047 0.866 400 HB3 ARG 51 HB1 ARG 51 12.025 7.048 -0.517 401 HG2 ARG 51 HG2 ARG 51 12.570 9.055 0.791 402 HG3 ARG 51 HG1 ARG 51 12.998 8.029 2.164 403 HD2 ARG 51 HD2 ARG 51 15.069 7.951 1.332 404 HD3 ARG 51 HD1 ARG 51 14.410 6.968 0.024 405 HE ARG 51 HE ARG 51 13.941 9.446 -0.870 406 HH11 ARG 51 HH11 ARG 51 16.871 8.021 0.442 407 HH12 ARG 51 HH12 ARG 51 17.919 9.043 -0.484 408 HH21 ARG 51 HH21 ARG 51 15.332 10.774 -2.070 409 HH22 ARG 51 HH22 ARG 51 17.048 10.601 -1.904 410 H TYR 52 HN TYR 52 10.024 4.810 2.037 411 HA TYR 52 HA TYR 52 10.286 5.733 4.820 412 HB2 TYR 52 HB2 TYR 52 8.415 4.447 5.499 413 HB3 TYR 52 HB1 TYR 52 7.906 5.319 4.065 414 HD1 TYR 52 HD1 TYR 52 7.785 4.061 1.862 415 HD2 TYR 52 HD2 TYR 52 8.280 2.087 5.607 416 HE1 TYR 52 HE1 TYR 52 7.032 1.952 0.848 417 HE2 TYR 52 HE2 TYR 52 7.523 -0.022 4.600 418 HH TYR 52 HH TYR 52 7.256 -0.473 1.256 419 H LEU 53 HN LEU 53 10.971 4.209 6.363 420 HA LEU 53 HA LEU 53 12.449 1.921 5.245 421 HB2 LEU 53 HB2 LEU 53 13.839 3.862 6.092 422 HB3 LEU 53 HB1 LEU 53 13.220 3.514 7.693 423 HG LEU 53 HG LEU 53 14.442 1.205 6.336 424 HD11 LEU 53 HD11 LEU 53 16.748 2.067 6.947 425 HD12 LEU 53 HD12 LEU 53 16.023 3.674 6.986 426 HD13 LEU 53 HD13 LEU 53 16.012 2.740 5.493 427 HD21 LEU 53 HD21 LEU 53 14.920 2.442 9.044 428 HD22 LEU 53 HD22 LEU 53 15.341 0.809 8.523 429 HD23 LEU 53 HD23 LEU 53 13.647 1.272 8.695 430 H LEU 54 HN LEU 54 11.832 0.006 5.967 431 HA LEU 54 HA LEU 54 9.896 -0.177 8.118 432 HB2 LEU 54 HB2 LEU 54 9.867 -1.422 5.833 433 HB3 LEU 54 HB1 LEU 54 11.006 -2.515 6.592 434 HG LEU 54 HG LEU 54 8.447 -1.987 8.025 435 HD11 LEU 54 HD11 LEU 54 7.305 -3.714 6.712 436 HD12 LEU 54 HD12 LEU 54 8.672 -3.763 5.599 437 HD13 LEU 54 HD13 LEU 54 7.698 -2.299 5.735 438 HD21 LEU 54 HD21 LEU 54 8.705 -4.348 8.620 439 HD22 LEU 54 HD22 LEU 54 10.153 -3.423 9.019 440 HD23 LEU 54 HD23 LEU 54 10.131 -4.453 7.587 441 H ILE 55 HN ILE 55 10.589 -0.257 10.125 442 HA ILE 55 HA ILE 55 13.185 -1.392 10.771 443 HB ILE 55 HB ILE 55 12.061 0.812 11.752 444 HG12 ILE 55 HG12 ILE 55 13.499 0.254 13.920 445 HG13 ILE 55 HG11 ILE 55 14.011 -1.104 12.927 446 HG21 ILE 55 HG21 ILE 55 11.349 -1.171 13.903 447 HG22 ILE 55 HG22 ILE 55 10.176 -0.410 12.826 448 HG23 ILE 55 HG23 ILE 55 11.123 0.579 13.939 449 HD11 ILE 55 HD11 ILE 55 14.756 0.440 11.194 450 HD12 ILE 55 HD12 ILE 55 15.547 0.766 12.735 451 HD13 ILE 55 HD13 ILE 55 14.233 1.804 12.182 452 H ASN 56 HN ASN 56 13.151 -2.626 13.028 453 HA ASN 56 HA ASN 56 12.351 -5.210 12.628 454 HB2 ASN 56 HB2 ASN 56 12.616 -3.853 15.315 455 HB3 ASN 56 HB1 ASN 56 12.731 -5.581 15.010 456 HD21 ASN 56 HD21 ASN 56 14.258 -2.484 14.563 457 HD22 ASN 56 HD22 ASN 56 15.838 -3.084 14.220 458 H SER 57 HN SER 57 10.404 -2.658 14.114 459 HA SER 57 HA SER 57 8.212 -4.598 14.422 460 HB2 SER 57 HB2 SER 57 9.051 -3.585 16.548 461 HB3 SER 57 HB1 SER 57 8.541 -2.007 15.950 462 HG SER 57 HG SER 57 6.549 -2.488 16.426 463 H ASP 58 HN ASP 58 8.522 -1.035 13.993 464 HA ASP 58 HA ASP 58 6.290 -1.191 12.071 465 HB2 ASP 58 HB2 ASP 58 6.868 0.862 14.204 466 HB3 ASP 58 HB1 ASP 58 5.763 1.184 12.873 467 H ILE 59 HN ILE 59 6.348 1.514 11.258 468 HA ILE 59 HA ILE 59 8.737 1.525 9.556 469 HB ILE 59 HB ILE 59 6.173 3.132 9.304 470 HG12 ILE 59 HG12 ILE 59 6.171 1.573 7.117 471 HG13 ILE 59 HG11 ILE 59 7.024 0.501 8.222 472 HG21 ILE 59 HG21 ILE 59 7.041 3.489 6.934 473 HG22 ILE 59 HG22 ILE 59 8.617 3.012 7.572 474 HG23 ILE 59 HG23 ILE 59 7.791 4.425 8.226 475 HD11 ILE 59 HD11 ILE 59 4.356 1.748 8.827 476 HD12 ILE 59 HD12 ILE 59 5.183 0.480 9.733 477 HD13 ILE 59 HD13 ILE 59 4.567 0.149 8.114 478 H VAL 60 HN VAL 60 10.269 3.084 9.666 479 HA VAL 60 HA VAL 60 9.823 5.329 11.531 480 HB VAL 60 HB VAL 60 12.498 3.978 11.049 481 HG11 VAL 60 HG11 VAL 60 11.650 6.015 13.114 482 HG12 VAL 60 HG12 VAL 60 12.697 6.315 11.727 483 HG13 VAL 60 HG13 VAL 60 13.234 5.244 13.021 484 HG21 VAL 60 HG21 VAL 60 10.726 2.590 12.275 485 HG22 VAL 60 HG22 VAL 60 10.902 3.757 13.584 486 HG23 VAL 60 HG23 VAL 60 12.289 2.800 13.065 487 H CYS 61 HN CYS 61 9.941 7.268 10.639 488 HA CYS 61 HA CYS 61 10.539 7.746 7.930 489 HB2 CYS 61 HB2 CYS 61 10.042 10.013 8.377 490 HB3 CYS 61 HB1 CYS 61 9.032 9.094 9.484 491 H GLU 62 HN GLU 62 12.161 9.228 7.047 492 HA GLU 62 HA GLU 62 14.806 8.516 7.710 493 HB2 GLU 62 HB2 GLU 62 13.680 10.682 5.944 494 HB3 GLU 62 HB1 GLU 62 15.408 10.410 6.118 495 HG2 GLU 62 HG2 GLU 62 15.092 8.101 5.308 496 HG3 GLU 62 HG1 GLU 62 13.382 8.454 5.055 497 H GLN 63 HN GLN 63 12.748 10.970 8.941 498 HA GLN 63 HA GLN 63 14.678 12.872 9.785 499 HB2 GLN 63 HB2 GLN 63 12.036 12.969 9.626 500 HB3 GLN 63 HB1 GLN 63 12.143 12.486 11.313 501 HG2 GLN 63 HG2 GLN 63 13.517 14.447 11.791 502 HG3 GLN 63 HG1 GLN 63 13.426 14.927 10.098 503 HE21 GLN 63 HE21 GLN 63 11.485 15.720 9.277 504 HE22 GLN 63 HE22 GLN 63 10.215 16.277 10.307 505 H ASP 64 HN ASP 64 13.233 10.054 11.389 506 HA ASP 64 HA ASP 64 15.066 10.427 13.670 507 HB2 ASP 64 HB2 ASP 64 12.698 8.577 13.735 508 HB3 ASP 64 HB1 ASP 64 13.538 9.336 15.077 509 H ILE 65 HN ILE 65 15.103 8.762 10.892 510 HA ILE 65 HA ILE 65 15.373 6.059 11.494 511 HB ILE 65 HB ILE 65 15.184 6.815 9.207 512 HG12 ILE 65 HG12 ILE 65 17.434 5.058 10.032 513 HG13 ILE 65 HG11 ILE 65 16.016 4.686 9.066 514 HG21 ILE 65 HG21 ILE 65 17.030 7.869 7.979 515 HG22 ILE 65 HG22 ILE 65 17.956 7.977 9.475 516 HG23 ILE 65 HG23 ILE 65 16.453 8.882 9.304 517 HD11 ILE 65 HD11 ILE 65 18.500 6.103 8.124 518 HD12 ILE 65 HD12 ILE 65 17.074 5.769 7.134 519 HD13 ILE 65 HD13 ILE 65 18.042 4.435 7.767 520 H TYR 66 HN TYR 66 18.038 8.431 11.244 521 HA TYR 66 HA TYR 66 20.131 6.710 11.897 522 HB2 TYR 66 HB2 TYR 66 20.409 8.938 10.866 523 HB3 TYR 66 HB1 TYR 66 19.948 9.694 12.384 524 HD1 TYR 66 HD1 TYR 66 21.469 9.703 14.281 525 HD2 TYR 66 HD2 TYR 66 22.608 7.956 10.575 526 HE1 TYR 66 HE1 TYR 66 23.800 9.693 15.020 527 HE2 TYR 66 HE2 TYR 66 24.961 7.944 11.302 528 HH TYR 66 HH TYR 66 26.403 9.124 12.904 529 H GLU 67 HN GLU 67 18.391 8.967 14.061 530 HA GLU 67 HA GLU 67 19.766 8.264 16.421 531 HB2 GLU 67 HB2 GLU 67 17.117 9.609 15.926 532 HB3 GLU 67 HB1 GLU 67 17.720 9.318 17.552 533 HG2 GLU 67 HG2 GLU 67 19.709 10.646 17.052 534 HG3 GLU 67 HG1 GLU 67 19.106 10.935 15.421 535 H TRP 68 HN TRP 68 16.759 6.997 15.006 536 HA TRP 68 HA TRP 68 15.951 5.418 17.213 537 HB2 TRP 68 HB2 TRP 68 14.436 6.058 15.365 538 HB3 TRP 68 HB1 TRP 68 15.336 5.016 14.271 539 HD1 TRP 68 HD1 TRP 68 14.883 2.428 14.387 540 HE1 TRP 68 HE1 TRP 68 13.047 1.009 15.504 541 HE3 TRP 68 HE3 TRP 68 12.902 5.964 17.515 542 HZ2 TRP 68 HZ2 TRP 68 11.031 1.342 17.448 543 HZ3 TRP 68 HZ3 TRP 68 11.023 5.327 18.970 544 HH2 TRP 68 HH2 TRP 68 10.108 3.065 18.935 545 H THR 69 HN THR 69 17.672 4.505 14.219 546 HA THR 69 HA THR 69 18.151 1.805 14.875 547 HB THR 69 HB THR 69 20.044 1.976 13.190 548 HG1 THR 69 HG1 THR 69 19.966 3.979 11.947 549 HG21 THR 69 HG21 THR 69 18.528 2.282 11.266 550 HG22 THR 69 HG22 THR 69 17.301 2.927 12.356 551 HG23 THR 69 HG23 THR 69 17.827 1.251 12.513 552 H LYS 70 HN LYS 70 19.749 4.735 15.729 553 HA LYS 70 HA LYS 70 22.274 3.783 16.551 554 HB2 LYS 70 HB2 LYS 70 21.322 6.191 16.122 555 HB3 LYS 70 HB1 LYS 70 20.935 6.134 17.834 556 HG2 LYS 70 HG2 LYS 70 23.260 5.803 18.386 557 HG3 LYS 70 HG1 LYS 70 23.677 5.737 16.674 558 HD2 LYS 70 HD2 LYS 70 22.686 8.065 16.487 559 HD3 LYS 70 HD1 LYS 70 22.661 8.090 18.252 560 HE2 LYS 70 HE2 LYS 70 25.101 7.633 18.233 561 HE3 LYS 70 HE1 LYS 70 25.072 7.773 16.476 562 HZ1 LYS 70 HZ1 LYS 70 24.293 10.049 16.709 563 HZ2 LYS 70 HZ2 LYS 70 25.769 9.838 17.505 564 HZ3 LYS 70 HZ3 LYS 70 24.332 9.914 18.394 565 H ILE 71 HN ILE 71 19.218 4.153 18.294 566 HA ILE 71 HA ILE 71 20.383 3.459 20.853 567 HB ILE 71 HB ILE 71 17.428 3.698 20.304 568 HG12 ILE 71 HG12 ILE 71 18.366 5.762 19.442 569 HG13 ILE 71 HG11 ILE 71 17.571 6.095 20.970 570 HG21 ILE 71 HG21 ILE 71 17.299 4.383 22.663 571 HG22 ILE 71 HG22 ILE 71 19.037 4.129 22.818 572 HG23 ILE 71 HG23 ILE 71 17.976 2.766 22.465 573 HD11 ILE 71 HD11 ILE 71 19.640 7.352 20.760 574 HD12 ILE 71 HD12 ILE 71 20.549 5.857 20.537 575 HD13 ILE 71 HD13 ILE 71 19.759 6.187 22.079 576 H ASN 72 HN ASN 72 18.048 1.871 18.626 577 HA ASN 72 HA ASN 72 18.115 -0.508 20.319 578 HB2 ASN 72 HB2 ASN 72 16.366 -1.376 18.662 579 HB3 ASN 72 HB1 ASN 72 15.904 -0.050 19.716 580 HD21 ASN 72 HD21 ASN 72 15.129 1.748 18.833 581 HD22 ASN 72 HD22 ASN 72 15.090 2.095 17.142 582 H GLY 73 HN GLY 73 19.290 0.519 17.185 583 HA2 GLY 73 HA2 GLY 73 21.360 -0.785 16.565 584 HA3 GLY 73 HA1 GLY 73 20.348 -2.209 16.749 585 H GLY 74 HN GLY 74 21.845 -1.221 14.423 586 HA2 GLY 74 HA2 GLY 74 20.516 -2.012 12.286 587 HA3 GLY 74 HA1 GLY 74 19.750 -0.451 12.533 588 H SER 75 HN SER 75 23.116 -1.601 12.738 589 HA SER 75 HA SER 75 23.862 0.386 10.698 590 HB2 SER 75 HB2 SER 75 25.980 0.774 11.996 591 HB3 SER 75 HB1 SER 75 24.524 1.351 12.803 592 HG SER 75 HG SER 75 26.323 -0.360 13.717 593 H GLY 76 HN GLY 76 25.581 -0.154 9.351 594 HA2 GLY 76 HA2 GLY 76 26.200 -3.028 9.274 595 HA3 GLY 76 HA1 GLY 76 26.295 -1.924 7.910 596 H GLY 77 HN GLY 77 28.390 -2.414 7.352 597 HA2 GLY 77 HA2 GLY 77 30.439 -1.077 8.885 598 HA3 GLY 77 HA1 GLY 77 30.615 -2.824 8.849 599 H SER 78 HN SER 78 32.434 -2.977 7.654 600 HA SER 78 HA SER 78 33.737 -3.226 5.823 601 HB2 SER 78 HB2 SER 78 31.638 -3.965 4.670 602 HB3 SER 78 HB1 SER 78 31.403 -2.304 4.126 603 HG SER 78 HG SER 78 33.261 -2.450 2.917 604 H GLY 79 HN GLY 79 31.781 -0.252 5.461 605 HA2 GLY 79 HA2 GLY 79 34.076 1.432 5.650 606 HA3 GLY 79 HA1 GLY 79 33.540 1.281 3.984 607 H GLY 80 HN GLY 80 31.346 1.920 3.470 608 HA2 GLY 80 HA2 GLY 80 30.493 4.189 5.134 609 HA3 GLY 80 HA1 GLY 80 30.105 3.958 3.436 610 H SER 81 HN SER 81 28.335 4.539 5.682 611 HA SER 81 HA SER 81 26.736 2.088 5.883 612 HB2 SER 81 HB2 SER 81 26.501 4.710 7.382 613 HB3 SER 81 HB1 SER 81 25.494 3.286 7.654 614 HG SER 81 HG SER 81 28.318 3.368 7.936 615 H GLY 82 HN GLY 82 24.826 1.854 4.895 616 HA2 GLY 82 HA2 GLY 82 23.387 4.175 3.866 617 HA3 GLY 82 HA1 GLY 82 23.966 3.020 2.675 618 H GLY 83 HN GLY 83 22.659 1.407 2.141 619 HA2 GLY 83 HA2 GLY 83 21.269 -0.462 3.015 620 HA3 GLY 83 HA1 GLY 83 20.435 0.749 3.976 621 H ASP 84 HN ASP 84 18.994 -0.917 2.387 622 HA ASP 84 HA ASP 84 18.338 0.571 -0.052 623 HB2 ASP 84 HB2 ASP 84 17.558 -2.180 0.924 624 HB3 ASP 84 HB1 ASP 84 16.844 -1.433 -0.502 625 H VAL 85 HN VAL 85 16.561 1.768 -0.253 626 HA VAL 85 HA VAL 85 14.467 1.571 1.816 627 HB VAL 85 HB VAL 85 15.152 4.206 0.511 628 HG11 VAL 85 HG11 VAL 85 14.018 5.176 2.402 629 HG12 VAL 85 HG12 VAL 85 13.866 3.597 3.172 630 HG13 VAL 85 HG13 VAL 85 12.982 3.941 1.685 631 HG21 VAL 85 HG21 VAL 85 17.215 3.483 1.587 632 HG22 VAL 85 HG22 VAL 85 16.340 3.161 3.084 633 HG23 VAL 85 HG23 VAL 85 16.483 4.814 2.485 634 H MET 86 HN MET 86 12.368 1.731 1.130 635 HA MET 86 HA MET 86 11.927 1.934 -1.778 636 HB2 MET 86 HB2 MET 86 10.672 0.099 0.251 637 HB3 MET 86 HB1 MET 86 9.886 0.444 -1.283 638 HG2 MET 86 HG2 MET 86 11.933 -0.367 -2.440 639 HG3 MET 86 HG1 MET 86 12.570 -0.850 -0.869 640 HE1 MET 86 HE1 MET 86 12.269 -2.815 -3.358 641 HE2 MET 86 HE2 MET 86 11.614 -4.258 -2.585 642 HE3 MET 86 HE3 MET 86 12.902 -3.344 -1.800 643 H VAL 87 HN VAL 87 9.981 2.896 -2.491 644 HA VAL 87 HA VAL 87 8.989 4.962 -0.715 645 HB VAL 87 HB VAL 87 8.044 4.669 -3.546 646 HG11 VAL 87 HG11 VAL 87 8.069 7.119 -3.462 647 HG12 VAL 87 HG12 VAL 87 8.696 7.045 -1.816 648 HG13 VAL 87 HG13 VAL 87 7.087 6.420 -2.175 649 HG21 VAL 87 HG21 VAL 87 10.456 4.361 -3.739 650 HG22 VAL 87 HG22 VAL 87 10.733 5.814 -2.778 651 HG23 VAL 87 HG23 VAL 87 9.981 5.939 -4.368 652 H VAL 88 HN VAL 88 6.757 5.399 -0.404 653 HA VAL 88 HA VAL 88 5.150 3.174 0.232 654 HB VAL 88 HB VAL 88 4.089 5.979 -0.186 655 HG11 VAL 88 HG11 VAL 88 3.235 3.684 1.565 656 HG12 VAL 88 HG12 VAL 88 2.327 4.453 0.263 657 HG13 VAL 88 HG13 VAL 88 2.633 5.328 1.762 658 HG21 VAL 88 HG21 VAL 88 5.518 4.904 2.247 659 HG22 VAL 88 HG22 VAL 88 4.655 6.440 2.168 660 HG23 VAL 88 HG23 VAL 88 6.089 6.183 1.175 661 H GLY 89 HN GLY 89 3.920 1.918 -0.996 662 HA2 GLY 89 HA2 GLY 89 3.635 2.241 -3.792 663 HA3 GLY 89 HA1 GLY 89 2.811 1.047 -2.806 664 H GLU 90 HN GLU 90 1.401 1.861 -4.832 665 HA GLU 90 HA GLU 90 -0.110 4.231 -4.559 666 HB2 GLU 90 HB2 GLU 90 -0.575 1.686 -6.099 667 HB3 GLU 90 HB1 GLU 90 -1.709 3.027 -6.150 668 HG2 GLU 90 HG2 GLU 90 0.037 4.483 -7.027 669 HG3 GLU 90 HG1 GLU 90 1.190 3.151 -6.956 670 HA PRO 91 HA PRO 91 -2.835 2.741 -1.264 671 HB2 PRO 91 HB2 PRO 91 -4.126 5.056 -0.775 672 HB3 PRO 91 HB1 PRO 91 -2.465 4.776 -0.244 673 HG2 PRO 91 HG2 PRO 91 -3.472 6.332 -2.591 674 HG3 PRO 91 HG1 PRO 91 -2.142 6.711 -1.480 675 HD2 PRO 91 HD2 PRO 91 -1.805 5.626 -3.986 676 HD3 PRO 91 HD1 PRO 91 -0.646 5.442 -2.655 677 H THR 92 HN THR 92 -5.213 2.743 -0.820 678 HA THR 92 HA THR 92 -6.704 2.480 -3.336 679 HB THR 92 HB THR 92 -8.376 1.242 -1.811 680 HG1 THR 92 HG1 THR 92 -6.655 0.306 -0.075 681 HG21 THR 92 HG21 THR 92 -6.967 0.099 -3.447 682 HG22 THR 92 HG22 THR 92 -7.111 -0.855 -1.971 683 HG23 THR 92 HG23 THR 92 -5.637 0.060 -2.288 684 H LEU 93 HN LEU 93 -7.840 4.185 -3.851 685 HA LEU 93 HA LEU 93 -8.560 6.257 -2.085 686 HB2 LEU 93 HB2 LEU 93 -9.436 5.656 -4.908 687 HB3 LEU 93 HB1 LEU 93 -9.897 7.111 -4.049 688 HG LEU 93 HG LEU 93 -6.989 6.473 -4.303 689 HD11 LEU 93 HD11 LEU 93 -6.914 7.624 -6.466 690 HD12 LEU 93 HD12 LEU 93 -8.677 7.668 -6.497 691 HD13 LEU 93 HD13 LEU 93 -7.833 6.121 -6.554 692 HD21 LEU 93 HD21 LEU 93 -7.706 8.381 -2.955 693 HD22 LEU 93 HD22 LEU 93 -8.573 9.044 -4.339 694 HD23 LEU 93 HD23 LEU 93 -6.815 8.913 -4.381 695 H MET 94 HN MET 94 -10.575 7.099 -1.550 696 HA MET 94 HA MET 94 -12.475 6.958 -0.310 697 HB2 MET 94 HB2 MET 94 -13.261 5.769 -2.957 698 HB3 MET 94 HB1 MET 94 -14.443 6.046 -1.685 699 HG2 MET 94 HG2 MET 94 -14.491 7.889 -3.202 700 HG3 MET 94 HG1 MET 94 -13.808 8.435 -1.672 701 HE1 MET 94 HE1 MET 94 -11.897 10.606 -4.321 702 HE2 MET 94 HE2 MET 94 -12.889 10.631 -2.862 703 HE3 MET 94 HE3 MET 94 -13.580 10.083 -4.391 704 H GLY 95 HN GLY 95 -12.611 5.845 1.453 705 HA2 GLY 95 HA2 GLY 95 -13.812 3.263 1.546 706 HA3 GLY 95 HA1 GLY 95 -12.092 3.170 1.892 707 H GLY 96 HN GLY 96 -11.833 5.657 3.246 708 HA2 GLY 96 HA2 GLY 96 -13.613 5.390 5.572 709 HA3 GLY 96 HA1 GLY 96 -11.876 5.296 5.812 710 H GLU 97 HN GLU 97 -11.878 7.108 7.157 711 HA GLU 97 HA GLU 97 -12.133 9.676 5.740 712 HB2 GLU 97 HB2 GLU 97 -13.155 8.969 8.490 713 HB3 GLU 97 HB1 GLU 97 -12.859 10.633 8.007 714 HG2 GLU 97 HG2 GLU 97 -14.466 10.389 6.182 715 HG3 GLU 97 HG1 GLU 97 -14.764 8.721 6.671 716 H PHE 98 HN PHE 98 -10.904 11.457 6.823 717 HA PHE 98 HA PHE 98 -8.275 10.483 7.610 718 HB2 PHE 98 HB2 PHE 98 -9.299 13.201 6.792 719 HB3 PHE 98 HB1 PHE 98 -7.665 12.947 7.393 720 HD1 PHE 98 HD2 PHE 98 -6.022 11.758 6.069 721 HD2 PHE 98 HD1 PHE 98 -9.972 12.396 4.618 722 HE1 PHE 98 HE2 PHE 98 -5.281 11.160 3.801 723 HE2 PHE 98 HE1 PHE 98 -9.238 11.798 2.347 724 HZ PHE 98 HZ PHE 98 -6.890 11.180 1.936 725 H GLY 99 HN GLY 99 -10.837 12.583 8.901 726 HA2 GLY 99 HA2 GLY 99 -10.866 12.008 11.486 727 HA3 GLY 99 HA1 GLY 99 -9.375 12.932 11.405 728 H ASP 100 HN ASP 100 -9.618 14.951 12.035 729 HA ASP 100 HA ASP 100 -11.937 16.489 11.151 730 HB2 ASP 100 HB2 ASP 100 -11.061 16.216 14.036 731 HB3 ASP 100 HB1 ASP 100 -12.111 17.508 13.466 732 H GLU 101 HN GLU 101 -10.652 17.597 9.755 733 HA GLU 101 HA GLU 101 -8.275 18.989 10.675 734 HB2 GLU 101 HB2 GLU 101 -9.614 18.738 7.989 735 HB3 GLU 101 HB1 GLU 101 -8.266 19.833 8.259 736 HG2 GLU 101 HG2 GLU 101 -6.866 17.946 8.929 737 HG3 GLU 101 HG1 GLU 101 -8.219 16.849 8.661 738 H ASP 102 HN ASP 102 -11.618 19.672 10.320 739 HA ASP 102 HA ASP 102 -11.332 22.534 10.011 740 HB2 ASP 102 HB2 ASP 102 -13.720 20.746 10.454 741 HB3 ASP 102 HB1 ASP 102 -13.846 22.499 10.373 742 H GLU 103 HN GLU 103 -11.576 20.299 12.644 743 HA GLU 103 HA GLU 103 -12.380 22.306 14.585 744 HB2 GLU 103 HB2 GLU 103 -11.713 19.376 14.803 745 HB3 GLU 103 HB1 GLU 103 -12.004 20.378 16.217 746 HG2 GLU 103 HG2 GLU 103 -14.247 20.895 15.390 747 HG3 GLU 103 HG1 GLU 103 -13.954 19.879 13.978 748 H ARG 104 HN ARG 104 -9.465 21.194 13.234 749 HA ARG 104 HA ARG 104 -7.827 21.893 15.546 750 HB2 ARG 104 HB2 ARG 104 -7.203 20.679 12.860 751 HB3 ARG 104 HB1 ARG 104 -5.937 21.213 13.956 752 HG2 ARG 104 HG2 ARG 104 -6.766 19.664 15.663 753 HG3 ARG 104 HG1 ARG 104 -8.021 19.121 14.548 754 HD2 ARG 104 HD2 ARG 104 -6.304 18.347 12.990 755 HD3 ARG 104 HD1 ARG 104 -5.047 18.902 14.095 756 HE ARG 104 HE ARG 104 -6.747 17.126 15.454 757 HH11 ARG 104 HH11 ARG 104 -4.301 17.055 12.935 758 HH12 ARG 104 HH12 ARG 104 -3.835 15.421 13.275 759 HH21 ARG 104 HH21 ARG 104 -6.121 14.990 15.882 760 HH22 ARG 104 HH22 ARG 104 -4.865 14.254 14.941 761 H LEU 105 HN LEU 105 -9.341 23.685 13.339 762 HA LEU 105 HA LEU 105 -7.145 25.452 12.596 763 HB2 LEU 105 HB2 LEU 105 -9.183 24.744 11.126 764 HB3 LEU 105 HB1 LEU 105 -10.041 25.986 12.015 765 HG LEU 105 HG LEU 105 -7.470 26.750 10.711 766 HD11 LEU 105 HD11 LEU 105 -8.623 27.160 8.587 767 HD12 LEU 105 HD12 LEU 105 -10.055 26.343 9.213 768 HD13 LEU 105 HD13 LEU 105 -8.557 25.442 8.979 769 HD21 LEU 105 HD21 LEU 105 -8.683 28.848 10.359 770 HD22 LEU 105 HD22 LEU 105 -8.705 28.370 12.057 771 HD23 LEU 105 HD23 LEU 105 -10.135 28.126 11.054 772 H ILE 106 HN ILE 106 -10.085 25.514 14.585 773 HA ILE 106 HA ILE 106 -9.371 28.165 15.602 774 HB ILE 106 HB ILE 106 -11.614 27.997 16.818 775 HG12 ILE 106 HG12 ILE 106 -12.591 26.106 14.757 776 HG13 ILE 106 HG11 ILE 106 -11.621 25.380 16.034 777 HG21 ILE 106 HG21 ILE 106 -12.856 28.684 14.812 778 HG22 ILE 106 HG22 ILE 106 -11.549 28.062 13.805 779 HG23 ILE 106 HG23 ILE 106 -11.254 29.417 14.894 780 HD11 ILE 106 HD11 ILE 106 -13.989 25.275 16.555 781 HD12 ILE 106 HD12 ILE 106 -14.108 27.031 16.429 782 HD13 ILE 106 HD13 ILE 106 -13.139 26.302 17.710 783 H THR 107 HN THR 107 -8.215 28.340 17.374 784 HA THR 107 HA THR 107 -8.619 26.461 19.588 785 HB THR 107 HB THR 107 -6.099 26.480 19.972 786 HG1 THR 107 HG1 THR 107 -5.754 26.861 17.228 787 HG21 THR 107 HG21 THR 107 -5.695 24.624 18.417 788 HG22 THR 107 HG22 THR 107 -7.148 25.061 17.519 789 HG23 THR 107 HG23 THR 107 -7.278 24.490 19.181 790 H ARG 108 HN ARG 108 -8.170 27.288 21.632 791 HA ARG 108 HA ARG 108 -7.861 30.214 21.747 792 HB2 ARG 108 HB2 ARG 108 -9.298 28.279 23.558 793 HB3 ARG 108 HB1 ARG 108 -8.915 29.919 24.061 794 HG2 ARG 108 HG2 ARG 108 -10.223 30.791 22.178 795 HG3 ARG 108 HG1 ARG 108 -10.628 29.138 21.709 796 HD2 ARG 108 HD2 ARG 108 -11.732 28.798 23.863 797 HD3 ARG 108 HD1 ARG 108 -11.319 30.444 24.340 798 HE ARG 108 HE ARG 108 -12.748 30.499 21.914 799 HH11 ARG 108 HH11 ARG 108 -13.302 29.877 25.328 800 HH12 ARG 108 HH12 ARG 108 -14.964 30.361 25.264 801 HH21 ARG 108 HH21 ARG 108 -14.925 31.129 21.856 802 HH22 ARG 108 HH22 ARG 108 -15.881 31.069 23.299 803 H LEU 109 HN LEU 109 -6.517 31.152 23.293 804 HA LEU 109 HA LEU 109 -4.526 29.340 24.497 805 HB2 LEU 109 HB2 LEU 109 -4.159 32.104 23.341 806 HB3 LEU 109 HB1 LEU 109 -2.940 31.287 24.300 807 HG LEU 109 HG LEU 109 -3.250 29.400 22.461 808 HD11 LEU 109 HD11 LEU 109 -5.057 30.516 21.270 809 HD12 LEU 109 HD12 LEU 109 -3.627 30.369 20.247 810 HD13 LEU 109 HD13 LEU 109 -4.024 31.918 20.993 811 HD21 LEU 109 HD21 LEU 109 -1.675 31.937 22.050 812 HD22 LEU 109 HD22 LEU 109 -1.381 30.403 21.230 813 HD23 LEU 109 HD23 LEU 109 -1.163 30.526 22.976 814 H GLU 110 HN GLU 110 -3.749 29.806 26.549 815 HA GLU 110 HA GLU 110 -3.804 30.441 28.720 816 HB2 GLU 110 HB2 GLU 110 -4.697 33.038 27.479 817 HB3 GLU 110 HB1 GLU 110 -4.471 32.858 29.212 818 HG2 GLU 110 HG2 GLU 110 -2.280 32.190 27.279 819 HG3 GLU 110 HG1 GLU 110 -2.555 33.843 27.821 820 H ASN 111 HN ASN 111 -5.102 29.787 30.272 821 HA ASN 111 HA ASN 111 -8.013 30.101 29.922 822 HB2 ASN 111 HB2 ASN 111 -6.427 27.882 31.222 823 HB3 ASN 111 HB1 ASN 111 -8.165 28.062 31.428 824 HD21 ASN 111 HD21 ASN 111 -9.531 27.688 29.680 825 HD22 ASN 111 HD22 ASN 111 -9.005 26.837 28.272 826 H THR 112 HN THR 112 -9.240 30.830 31.605 827 HA THR 112 HA THR 112 -7.763 31.975 33.866 828 HB THR 112 HB THR 112 -8.980 33.653 32.630 829 HG1 THR 112 HG1 THR 112 -8.975 33.861 34.923 830 HG21 THR 112 HG21 THR 112 -11.429 33.658 32.418 831 HG22 THR 112 HG22 THR 112 -11.495 32.050 33.139 832 HG23 THR 112 HG23 THR 112 -10.713 32.283 31.577 833 H GLN 113 HN GLN 113 -7.932 31.143 35.820 834 HA GLN 113 HA GLN 113 -10.300 29.541 36.521 835 HB2 GLN 113 HB2 GLN 113 -8.008 28.314 35.972 836 HB3 GLN 113 HB1 GLN 113 -7.632 28.777 37.626 837 HG2 GLN 113 HG2 GLN 113 -9.622 27.595 38.412 838 HG3 GLN 113 HG1 GLN 113 -9.999 27.132 36.753 839 HE21 GLN 113 HE21 GLN 113 -7.893 26.628 39.467 840 HE22 GLN 113 HE22 GLN 113 -7.159 25.174 38.891 841 H PHE 114 HN PHE 114 -11.055 29.761 38.588 842 HA PHE 114 HA PHE 114 -9.838 31.901 40.194 843 HB2 PHE 114 HB2 PHE 114 -12.308 31.941 39.321 844 HB3 PHE 114 HB1 PHE 114 -12.608 30.835 40.655 845 HD1 PHE 114 HD2 PHE 114 -12.460 31.585 42.953 846 HD2 PHE 114 HD1 PHE 114 -11.747 34.258 39.719 847 HE1 PHE 114 HE2 PHE 114 -12.668 33.495 44.490 848 HE2 PHE 114 HE1 PHE 114 -11.952 36.173 41.250 849 HZ PHE 114 HZ PHE 114 -12.415 35.792 43.639 850 H ASP 115 HN ASP 115 -8.998 31.481 42.133 851 HA ASP 115 HA ASP 115 -9.642 28.934 43.451 852 HB2 ASP 115 HB2 ASP 115 -7.228 28.801 44.182 853 HB3 ASP 115 HB1 ASP 115 -7.504 28.526 42.468 854 H ALA 116 HN ALA 116 -9.533 28.904 45.711 855 HA ALA 116 HA ALA 116 -9.801 31.550 46.948 856 HB1 ALA 116 HB1 ALA 116 -10.972 30.404 48.750 857 HB2 ALA 116 HB2 ALA 116 -10.645 28.848 47.989 858 HB3 ALA 116 HB3 ALA 116 -11.695 30.017 47.188 859 H ALA 117 HN ALA 117 -8.636 32.173 48.723 860 HA ALA 117 HA ALA 117 -6.204 30.628 49.266 861 HB1 ALA 117 HB1 ALA 117 -5.285 32.695 50.161 862 HB2 ALA 117 HB2 ALA 117 -6.837 33.501 49.934 863 HB3 ALA 117 HB3 ALA 117 -5.916 32.948 48.534 864 H ASN 118 HN ASN 118 -8.902 32.217 50.935 865 HA ASN 118 HA ASN 118 -8.060 31.027 53.480 866 HB2 ASN 118 HB2 ASN 118 -10.065 33.188 52.817 867 HB3 ASN 118 HB1 ASN 118 -9.905 32.494 54.426 868 HD21 ASN 118 HD21 ASN 118 -8.424 34.484 51.998 869 HD22 ASN 118 HD22 ASN 118 -7.202 35.167 53.012 870 H GLY 119 HN GLY 119 -9.389 29.692 54.687 871 HA2 GLY 119 HA2 GLY 119 -11.995 29.002 54.438 872 HA3 GLY 119 HA1 GLY 119 -11.232 28.077 53.155 873 H ILE 120 HN ILE 120 -11.239 28.659 56.634 874 HA ILE 120 HA ILE 120 -10.051 25.997 57.036 875 HB ILE 120 HB ILE 120 -9.640 26.889 59.443 876 HG12 ILE 120 HG12 ILE 120 -8.922 29.440 59.092 877 HG13 ILE 120 HG11 ILE 120 -10.266 29.407 57.957 878 HG21 ILE 120 HG21 ILE 120 -8.013 27.805 57.083 879 HG22 ILE 120 HG22 ILE 120 -7.888 26.258 57.920 880 HG23 ILE 120 HG23 ILE 120 -7.442 27.749 58.750 881 HD11 ILE 120 HD11 ILE 120 -10.830 30.199 60.252 882 HD12 ILE 120 HD12 ILE 120 -10.502 28.566 60.832 883 HD13 ILE 120 HD13 ILE 120 -11.803 28.847 59.676 884 H ASP 121 HN ASP 121 -12.642 28.155 58.092 885 HA ASP 121 HA ASP 121 -14.106 25.812 59.097 886 HB2 ASP 121 HB2 ASP 121 -13.040 27.352 60.921 887 HB3 ASP 121 HB1 ASP 121 -14.342 28.460 60.503 888 H ASP 122 HN ASP 122 -16.372 25.936 58.943 889 HA ASP 122 HA ASP 122 -18.373 26.385 57.981 890 HB2 ASP 122 HB2 ASP 122 -17.344 29.226 58.071 891 HB3 ASP 122 HB1 ASP 122 -18.970 28.804 57.543 892 H GLU 123 HN GLU 123 -19.042 25.846 56.038 893 HA GLU 123 HA GLU 123 -17.455 26.684 53.706 894 HB2 GLU 123 HB2 GLU 123 -19.120 24.220 54.211 895 HB3 GLU 123 HB1 GLU 123 -18.597 24.679 52.597 896 HG2 GLU 123 HG2 GLU 123 -16.265 24.547 53.314 897 HG3 GLU 123 HG1 GLU 123 -16.791 24.083 54.931 Start of MODEL 15 1 H TYR 1 HT1 TYR 1 -17.748 -4.568 -14.125 2 HA TYR 1 HA TYR 1 -18.647 -5.622 -12.162 3 HB2 TYR 1 HB2 TYR 1 -18.759 -6.590 -14.597 4 HB3 TYR 1 HB1 TYR 1 -17.728 -7.856 -13.945 5 HD1 TYR 1 HD2 TYR 1 -21.073 -6.358 -13.861 6 HD2 TYR 1 HD1 TYR 1 -18.588 -9.458 -12.337 7 HE1 TYR 1 HE2 TYR 1 -23.061 -7.516 -12.993 8 HE2 TYR 1 HE1 TYR 1 -20.570 -10.625 -11.465 9 HH TYR 1 HH TYR 1 -23.735 -9.794 -12.357 10 H LEU 2 HN LEU 2 -15.418 -6.779 -13.036 11 HA LEU 2 HA LEU 2 -15.235 -8.348 -10.576 12 HB2 LEU 2 HB2 LEU 2 -13.345 -8.069 -12.915 13 HB3 LEU 2 HB1 LEU 2 -13.017 -9.050 -11.500 14 HG LEU 2 HG LEU 2 -15.380 -10.113 -12.218 15 HD11 LEU 2 HD11 LEU 2 -15.546 -8.588 -14.172 16 HD12 LEU 2 HD12 LEU 2 -15.571 -10.299 -14.600 17 HD13 LEU 2 HD13 LEU 2 -14.103 -9.351 -14.838 18 HD21 LEU 2 HD21 LEU 2 -12.685 -10.822 -13.369 19 HD22 LEU 2 HD22 LEU 2 -14.090 -11.887 -13.319 20 HD23 LEU 2 HD23 LEU 2 -13.334 -11.353 -11.818 21 H ARG 3 HN ARG 3 -14.183 -7.702 -8.816 22 HA ARG 3 HA ARG 3 -13.267 -5.045 -8.503 23 HB2 ARG 3 HB2 ARG 3 -13.058 -7.489 -6.755 24 HB3 ARG 3 HB1 ARG 3 -12.403 -5.932 -6.269 25 HG2 ARG 3 HG2 ARG 3 -14.631 -4.940 -6.434 26 HG3 ARG 3 HG1 ARG 3 -15.288 -6.503 -6.924 27 HD2 ARG 3 HD2 ARG 3 -14.583 -7.464 -4.786 28 HD3 ARG 3 HD1 ARG 3 -13.928 -5.901 -4.298 29 HE ARG 3 HE ARG 3 -16.626 -5.569 -4.981 30 HH11 ARG 3 HH11 ARG 3 -14.715 -7.099 -2.462 31 HH12 ARG 3 HH12 ARG 3 -15.956 -6.939 -1.265 32 HH21 ARG 3 HH21 ARG 3 -18.235 -5.371 -3.397 33 HH22 ARG 3 HH22 ARG 3 -17.947 -5.962 -1.795 34 H LEU 4 HN LEU 4 -11.332 -4.127 -8.704 35 HA LEU 4 HA LEU 4 -9.098 -5.749 -9.619 36 HB2 LEU 4 HB2 LEU 4 -8.082 -3.620 -10.292 37 HB3 LEU 4 HB1 LEU 4 -9.674 -3.846 -10.978 38 HG LEU 4 HG LEU 4 -9.406 -2.192 -8.497 39 HD11 LEU 4 HD11 LEU 4 -8.817 -1.215 -11.288 40 HD12 LEU 4 HD12 LEU 4 -7.654 -1.346 -9.971 41 HD13 LEU 4 HD13 LEU 4 -8.991 -0.204 -9.856 42 HD21 LEU 4 HD21 LEU 4 -11.262 -0.955 -9.587 43 HD22 LEU 4 HD22 LEU 4 -11.640 -2.650 -9.289 44 HD23 LEU 4 HD23 LEU 4 -11.215 -2.115 -10.913 45 H PHE 5 HN PHE 5 -7.235 -6.058 -8.557 46 HA PHE 5 HA PHE 5 -5.680 -6.176 -6.916 47 HB2 PHE 5 HB2 PHE 5 -6.687 -3.405 -6.259 48 HB3 PHE 5 HB1 PHE 5 -5.332 -4.161 -5.428 49 HD1 PHE 5 HD2 PHE 5 -6.495 -2.685 -8.558 50 HD2 PHE 5 HD1 PHE 5 -3.208 -4.473 -6.536 51 HE1 PHE 5 HE2 PHE 5 -4.980 -1.878 -10.320 52 HE2 PHE 5 HE1 PHE 5 -1.684 -3.668 -8.292 53 HZ PHE 5 HZ PHE 5 -2.570 -2.370 -10.189 54 H GLY 6 HN GLY 6 -5.391 -6.892 -4.822 55 HA2 GLY 6 HA2 GLY 6 -7.736 -6.871 -3.046 56 HA3 GLY 6 HA1 GLY 6 -7.007 -8.406 -3.485 57 H GLN 7 HN GLN 7 -7.089 -8.156 -0.944 58 HA GLN 7 HA GLN 7 -4.383 -7.346 -0.110 59 HB2 GLN 7 HB2 GLN 7 -6.546 -5.924 0.637 60 HB3 GLN 7 HB1 GLN 7 -6.578 -7.154 1.893 61 HG2 GLN 7 HG2 GLN 7 -5.351 -5.431 2.842 62 HG3 GLN 7 HG1 GLN 7 -4.115 -6.552 2.275 63 HE21 GLN 7 HE21 GLN 7 -5.644 -3.471 1.770 64 HE22 GLN 7 HE22 GLN 7 -4.449 -2.823 0.705 65 H ASP 8 HN ASP 8 -4.008 -8.331 2.249 66 HA ASP 8 HA ASP 8 -4.119 -11.177 1.940 67 HB2 ASP 8 HB2 ASP 8 -3.045 -9.375 4.103 68 HB3 ASP 8 HB1 ASP 8 -3.025 -11.129 4.253 69 H GLY 9 HN GLY 9 -5.729 -8.844 4.086 70 HA2 GLY 9 HA2 GLY 9 -8.137 -9.623 4.470 71 HA3 GLY 9 HA1 GLY 9 -7.375 -11.045 5.157 72 H LEU 10 HN LEU 10 -5.271 -9.773 6.566 73 HA LEU 10 HA LEU 10 -6.697 -8.088 8.503 74 HB2 LEU 10 HB2 LEU 10 -5.184 -10.622 9.002 75 HB3 LEU 10 HB1 LEU 10 -5.257 -9.388 10.243 76 HG LEU 10 HG LEU 10 -7.886 -9.627 9.625 77 HD11 LEU 10 HD11 LEU 10 -7.513 -11.441 8.063 78 HD12 LEU 10 HD12 LEU 10 -8.415 -12.001 9.471 79 HD13 LEU 10 HD13 LEU 10 -6.698 -12.373 9.320 80 HD21 LEU 10 HD21 LEU 10 -8.054 -10.985 11.663 81 HD22 LEU 10 HD22 LEU 10 -6.979 -9.599 11.848 82 HD23 LEU 10 HD23 LEU 10 -6.305 -11.216 11.628 83 H CYS 11 HN CYS 11 -5.331 -6.856 9.943 84 HA CYS 11 HA CYS 11 -3.119 -5.643 8.565 85 HB2 CYS 11 HB2 CYS 11 -4.733 -4.343 9.921 86 HB3 CYS 11 HB1 CYS 11 -4.162 -5.173 11.361 87 H ALA 12 HN ALA 12 -1.003 -5.497 9.233 88 HA ALA 12 HA ALA 12 0.190 -7.837 10.285 89 HB1 ALA 12 HB1 ALA 12 1.587 -5.193 10.112 90 HB2 ALA 12 HB2 ALA 12 1.160 -6.108 8.668 91 HB3 ALA 12 HB3 ALA 12 2.242 -6.811 9.871 92 H SER 13 HN SER 13 -0.602 -4.724 11.716 93 HA SER 13 HA SER 13 0.603 -5.493 14.266 94 HB2 SER 13 HB2 SER 13 -0.390 -2.884 13.147 95 HB3 SER 13 HB1 SER 13 -0.077 -3.078 14.873 96 HG SER 13 HG SER 13 1.662 -2.551 12.970 97 H CYS 14 HN CYS 14 -2.549 -4.626 12.865 98 HA CYS 14 HA CYS 14 -3.866 -5.243 15.414 99 HB2 CYS 14 HB2 CYS 14 -5.342 -4.347 12.956 100 HB3 CYS 14 HB1 CYS 14 -5.775 -4.136 14.642 101 H ASP 15 HN ASP 15 -5.460 -6.795 15.612 102 HA ASP 15 HA ASP 15 -5.340 -8.975 13.664 103 HB2 ASP 15 HB2 ASP 15 -6.392 -8.805 16.499 104 HB3 ASP 15 HB1 ASP 15 -6.611 -10.227 15.485 105 H LYS 16 HN LYS 16 -6.653 -6.633 12.888 106 HA LYS 16 HA LYS 16 -9.511 -7.351 12.909 107 HB2 LYS 16 HB2 LYS 16 -8.689 -5.093 13.862 108 HB3 LYS 16 HB1 LYS 16 -8.377 -4.651 12.196 109 HG2 LYS 16 HG2 LYS 16 -10.455 -3.738 12.556 110 HG3 LYS 16 HG1 LYS 16 -10.861 -5.286 11.818 111 HD2 LYS 16 HD2 LYS 16 -11.253 -6.237 14.050 112 HD3 LYS 16 HD1 LYS 16 -10.856 -4.678 14.777 113 HE2 LYS 16 HE2 LYS 16 -13.213 -4.775 14.712 114 HE3 LYS 16 HE1 LYS 16 -12.740 -3.704 13.395 115 HZ1 LYS 16 HZ1 LYS 16 -14.457 -5.253 12.702 116 HZ2 LYS 16 HZ2 LYS 16 -13.479 -6.569 13.115 117 HZ3 LYS 16 HZ3 LYS 16 -13.025 -5.543 11.849 118 H ARG 17 HN ARG 17 -10.583 -7.607 11.013 119 HA ARG 17 HA ARG 17 -9.157 -8.228 8.652 120 HB2 ARG 17 HB2 ARG 17 -12.103 -7.811 9.164 121 HB3 ARG 17 HB1 ARG 17 -11.458 -8.348 7.619 122 HG2 ARG 17 HG2 ARG 17 -10.439 -9.968 9.778 123 HG3 ARG 17 HG1 ARG 17 -12.204 -9.948 9.771 124 HD2 ARG 17 HD2 ARG 17 -12.198 -10.593 7.411 125 HD3 ARG 17 HD1 ARG 17 -10.435 -10.603 7.415 126 HE ARG 17 HE ARG 17 -11.303 -12.319 9.436 127 HH11 ARG 17 HH11 ARG 17 -11.406 -12.178 5.927 128 HH12 ARG 17 HH12 ARG 17 -11.439 -13.900 5.746 129 HH21 ARG 17 HH21 ARG 17 -11.347 -14.570 9.173 130 HH22 ARG 17 HH22 ARG 17 -11.407 -15.252 7.582 131 H ILE 18 HN ILE 18 -8.239 -6.867 7.289 132 HA ILE 18 HA ILE 18 -8.891 -4.077 7.211 133 HB ILE 18 HB ILE 18 -6.974 -5.797 5.630 134 HG12 ILE 18 HG12 ILE 18 -6.583 -3.477 7.538 135 HG13 ILE 18 HG11 ILE 18 -6.421 -5.174 7.968 136 HG21 ILE 18 HG21 ILE 18 -6.162 -3.905 4.405 137 HG22 ILE 18 HG22 ILE 18 -7.255 -2.815 5.254 138 HG23 ILE 18 HG23 ILE 18 -7.902 -4.009 4.129 139 HD11 ILE 18 HD11 ILE 18 -4.460 -5.419 6.671 140 HD12 ILE 18 HD12 ILE 18 -4.274 -3.927 7.596 141 HD13 ILE 18 HD13 ILE 18 -4.699 -3.856 5.887 142 H ARG 19 HN ARG 19 -10.869 -3.618 6.529 143 HA ARG 19 HA ARG 19 -11.557 -4.080 3.744 144 HB2 ARG 19 HB2 ARG 19 -13.880 -4.888 4.340 145 HB3 ARG 19 HB1 ARG 19 -12.586 -6.038 4.628 146 HG2 ARG 19 HG2 ARG 19 -12.665 -5.573 7.013 147 HG3 ARG 19 HG1 ARG 19 -13.897 -4.339 6.752 148 HD2 ARG 19 HD2 ARG 19 -15.049 -6.270 7.476 149 HD3 ARG 19 HD1 ARG 19 -15.328 -6.160 5.740 150 HE ARG 19 HE ARG 19 -13.093 -7.789 6.165 151 HH11 ARG 19 HH11 ARG 19 -16.555 -7.895 6.753 152 HH12 ARG 19 HH12 ARG 19 -16.633 -9.623 6.659 153 HH21 ARG 19 HH21 ARG 19 -13.222 -10.049 6.044 154 HH22 ARG 19 HH22 ARG 19 -14.747 -10.840 6.259 155 H ALA 20 HN ALA 20 -14.028 -3.141 3.510 156 HA ALA 20 HA ALA 20 -15.259 -1.273 3.242 157 HB1 ALA 20 HB1 ALA 20 -15.904 -1.868 5.537 158 HB2 ALA 20 HB2 ALA 20 -16.016 -0.135 5.229 159 HB3 ALA 20 HB3 ALA 20 -14.660 -0.779 6.154 160 H TYR 21 HN TYR 21 -13.134 0.304 5.627 161 HA TYR 21 HA TYR 21 -12.757 2.548 3.858 162 HB2 TYR 21 HB2 TYR 21 -13.081 2.767 6.340 163 HB3 TYR 21 HB1 TYR 21 -11.499 2.035 6.570 164 HD1 TYR 21 HD1 TYR 21 -13.252 5.021 5.255 165 HD2 TYR 21 HD2 TYR 21 -9.512 3.321 6.363 166 HE1 TYR 21 HE1 TYR 21 -12.209 7.244 5.121 167 HE2 TYR 21 HE2 TYR 21 -8.456 5.540 6.234 168 HH TYR 21 HH TYR 21 -10.249 8.415 6.024 169 H GLU 22 HN GLU 22 -10.547 0.295 5.507 170 HA GLU 22 HA GLU 22 -8.279 0.006 5.236 171 HB2 GLU 22 HB2 GLU 22 -7.934 -1.505 3.248 172 HB3 GLU 22 HB1 GLU 22 -9.193 -1.960 4.377 173 HG2 GLU 22 HG2 GLU 22 -10.564 -2.187 2.645 174 HG3 GLU 22 HG1 GLU 22 -10.492 -0.440 2.426 175 H MET 23 HN MET 23 -8.772 0.519 1.742 176 HA MET 23 HA MET 23 -7.525 1.634 0.196 177 HB2 MET 23 HB2 MET 23 -8.111 3.766 2.240 178 HB3 MET 23 HB1 MET 23 -7.288 4.138 0.733 179 HG2 MET 23 HG2 MET 23 -9.206 3.290 -0.522 180 HG3 MET 23 HG1 MET 23 -10.029 2.917 0.991 181 HE1 MET 23 HE1 MET 23 -12.145 4.316 0.190 182 HE2 MET 23 HE2 MET 23 -11.324 4.687 -1.327 183 HE3 MET 23 HE3 MET 23 -12.053 5.983 -0.378 184 H THR 24 HN THR 24 -5.838 0.072 1.363 185 HA THR 24 HA THR 24 -3.468 1.676 2.070 186 HB THR 24 HB THR 24 -2.627 -0.482 3.126 187 HG1 THR 24 HG1 THR 24 -3.896 -2.146 2.875 188 HG21 THR 24 HG21 THR 24 -5.094 0.666 4.418 189 HG22 THR 24 HG22 THR 24 -3.550 1.517 4.349 190 HG23 THR 24 HG23 THR 24 -3.671 -0.018 5.200 191 H MET 25 HN MET 25 -1.383 0.732 1.489 192 HA MET 25 HA MET 25 -1.456 -0.537 -1.160 193 HB2 MET 25 HB2 MET 25 -0.293 1.749 -0.629 194 HB3 MET 25 HB1 MET 25 0.977 0.747 0.054 195 HG2 MET 25 HG2 MET 25 -0.004 0.336 -2.749 196 HG3 MET 25 HG1 MET 25 1.214 1.545 -2.364 197 HE1 MET 25 HE1 MET 25 3.667 1.081 -1.908 198 HE2 MET 25 HE2 MET 25 4.325 -0.477 -1.408 199 HE3 MET 25 HE3 MET 25 3.225 0.398 -0.344 200 H ARG 26 HN ARG 26 -0.006 -2.273 -1.626 201 HA ARG 26 HA ARG 26 0.365 -4.082 0.590 202 HB2 ARG 26 HB2 ARG 26 0.848 -4.325 -2.375 203 HB3 ARG 26 HB1 ARG 26 1.285 -5.600 -1.247 204 HG2 ARG 26 HG2 ARG 26 -1.045 -5.794 -0.547 205 HG3 ARG 26 HG1 ARG 26 -1.489 -4.500 -1.661 206 HD2 ARG 26 HD2 ARG 26 -0.144 -7.036 -2.562 207 HD3 ARG 26 HD1 ARG 26 -1.895 -6.876 -2.457 208 HE ARG 26 HE ARG 26 -0.936 -4.736 -3.967 209 HH11 ARG 26 HH11 ARG 26 -1.148 -8.229 -4.263 210 HH12 ARG 26 HH12 ARG 26 -1.222 -8.193 -5.992 211 HH21 ARG 26 HH21 ARG 26 -1.035 -4.713 -6.232 212 HH22 ARG 26 HH22 ARG 26 -1.158 -6.204 -7.105 213 H VAL 27 HN VAL 27 2.101 -4.224 1.807 214 HA VAL 27 HA VAL 27 4.589 -2.940 1.010 215 HB VAL 27 HB VAL 27 4.198 -4.362 3.659 216 HG11 VAL 27 HG11 VAL 27 5.916 -2.090 2.695 217 HG12 VAL 27 HG12 VAL 27 6.407 -3.606 3.450 218 HG13 VAL 27 HG13 VAL 27 5.611 -2.362 4.410 219 HG21 VAL 27 HG21 VAL 27 3.360 -2.228 4.601 220 HG22 VAL 27 HG22 VAL 27 2.236 -2.973 3.466 221 HG23 VAL 27 HG23 VAL 27 3.213 -1.595 2.962 222 H LYS 28 HN LYS 28 6.621 -4.348 1.979 223 HA LYS 28 HA LYS 28 7.287 -6.227 0.131 224 HB2 LYS 28 HB2 LYS 28 8.267 -5.783 2.926 225 HB3 LYS 28 HB1 LYS 28 8.946 -7.063 1.932 226 HG2 LYS 28 HG2 LYS 28 9.585 -5.414 0.244 227 HG3 LYS 28 HG1 LYS 28 8.902 -4.130 1.243 228 HD2 LYS 28 HD2 LYS 28 10.498 -4.663 3.019 229 HD3 LYS 28 HD1 LYS 28 11.178 -5.953 2.025 230 HE2 LYS 28 HE2 LYS 28 11.833 -4.307 0.338 231 HE3 LYS 28 HE1 LYS 28 11.148 -3.017 1.327 232 HZ1 LYS 28 HZ1 LYS 28 13.538 -3.166 1.609 233 HZ2 LYS 28 HZ2 LYS 28 13.411 -4.778 2.104 234 HZ3 LYS 28 HZ3 LYS 28 12.752 -3.547 3.058 235 H ASP 29 HN ASP 29 6.441 -7.225 3.485 236 HA ASP 29 HA ASP 29 5.483 -9.765 2.335 237 HB2 ASP 29 HB2 ASP 29 7.655 -9.701 3.802 238 HB3 ASP 29 HB1 ASP 29 6.519 -9.608 5.143 239 H LYS 30 HN LYS 30 5.058 -7.484 5.034 240 HA LYS 30 HA LYS 30 2.359 -8.575 5.472 241 HB2 LYS 30 HB2 LYS 30 4.101 -6.970 7.352 242 HB3 LYS 30 HB1 LYS 30 2.505 -7.596 7.719 243 HG2 LYS 30 HG2 LYS 30 3.273 -9.849 7.635 244 HG3 LYS 30 HG1 LYS 30 4.834 -9.345 6.985 245 HD2 LYS 30 HD2 LYS 30 4.070 -8.140 9.569 246 HD3 LYS 30 HD1 LYS 30 4.393 -9.873 9.601 247 HE2 LYS 30 HE2 LYS 30 6.580 -9.476 8.567 248 HE3 LYS 30 HE1 LYS 30 6.254 -7.744 8.543 249 HZ1 LYS 30 HZ1 LYS 30 6.455 -9.433 10.978 250 HZ2 LYS 30 HZ2 LYS 30 6.140 -7.771 10.958 251 HZ3 LYS 30 HZ3 LYS 30 7.635 -8.354 10.425 252 H VAL 31 HN VAL 31 0.604 -7.155 5.832 253 HA VAL 31 HA VAL 31 0.937 -4.497 4.595 254 HB VAL 31 HB VAL 31 -1.719 -5.912 4.874 255 HG11 VAL 31 HG11 VAL 31 -2.362 -4.487 2.982 256 HG12 VAL 31 HG12 VAL 31 -0.750 -3.775 2.974 257 HG13 VAL 31 HG13 VAL 31 -1.813 -3.533 4.360 258 HG21 VAL 31 HG21 VAL 31 -1.486 -6.717 2.567 259 HG22 VAL 31 HG22 VAL 31 -0.277 -7.435 3.631 260 HG23 VAL 31 HG23 VAL 31 0.177 -6.131 2.534 261 H TYR 32 HN TYR 32 -0.146 -2.694 5.502 262 HA TYR 32 HA TYR 32 -1.102 -3.005 8.277 263 HB2 TYR 32 HB2 TYR 32 0.779 -0.854 7.268 264 HB3 TYR 32 HB1 TYR 32 0.081 -0.915 8.879 265 HD1 TYR 32 HD2 TYR 32 2.341 -2.746 6.565 266 HD2 TYR 32 HD1 TYR 32 1.160 -2.086 10.596 267 HE1 TYR 32 HE2 TYR 32 4.277 -4.048 7.326 268 HE2 TYR 32 HE1 TYR 32 3.091 -3.382 11.383 269 HH TYR 32 HH TYR 32 4.616 -5.117 10.541 270 H HIS 33 HN HIS 33 -2.570 -1.380 9.010 271 HA HIS 33 HA HIS 33 -4.439 -0.400 7.114 272 HB2 HIS 33 HB2 HIS 33 -3.997 0.089 10.050 273 HB3 HIS 33 HB1 HIS 33 -5.219 0.989 9.168 274 HD2 HIS 33 HD2 HIS 33 -7.178 -0.901 7.887 275 HE1 HIS 33 HE1 HIS 33 -6.773 -3.560 11.186 276 HE2 HIS 33 HE2 HIS 33 -8.165 -2.915 9.183 277 H LEU 34 HN LEU 34 -5.055 1.950 6.850 278 HA LEU 34 HA LEU 34 -2.935 3.546 5.961 279 HB2 LEU 34 HB2 LEU 34 -5.828 3.881 6.344 280 HB3 LEU 34 HB1 LEU 34 -4.923 5.375 6.475 281 HG LEU 34 HG LEU 34 -4.587 3.563 4.098 282 HD11 LEU 34 HD11 LEU 34 -6.255 4.957 2.940 283 HD12 LEU 34 HD12 LEU 34 -6.647 5.731 4.476 284 HD13 LEU 34 HD13 LEU 34 -6.958 4.009 4.252 285 HD21 LEU 34 HD21 LEU 34 -3.916 5.641 2.997 286 HD22 LEU 34 HD22 LEU 34 -2.924 5.335 4.422 287 HD23 LEU 34 HD23 LEU 34 -4.214 6.536 4.488 288 H GLU 35 HN GLU 35 -4.863 3.824 8.937 289 HA GLU 35 HA GLU 35 -3.420 5.979 10.081 290 HB2 GLU 35 HB2 GLU 35 -5.244 3.899 11.287 291 HB3 GLU 35 HB1 GLU 35 -4.537 5.206 12.225 292 HG2 GLU 35 HG2 GLU 35 -5.652 6.841 10.787 293 HG3 GLU 35 HG1 GLU 35 -6.366 5.527 9.851 294 H CYS 36 HN CYS 36 -2.817 2.596 9.894 295 HA CYS 36 HA CYS 36 -0.966 2.487 12.117 296 HB2 CYS 36 HB2 CYS 36 -1.586 0.412 10.001 297 HB3 CYS 36 HB1 CYS 36 -0.695 0.137 11.496 298 H PHE 37 HN PHE 37 -0.742 3.741 9.089 299 HA PHE 37 HA PHE 37 2.014 2.896 8.572 300 HB2 PHE 37 HB2 PHE 37 0.103 3.123 6.799 301 HB3 PHE 37 HB1 PHE 37 0.453 4.845 6.884 302 HD1 PHE 37 HD2 PHE 37 1.722 1.560 5.878 303 HD2 PHE 37 HD1 PHE 37 2.482 5.749 5.960 304 HE1 PHE 37 HE2 PHE 37 3.545 1.257 4.253 305 HE2 PHE 37 HE1 PHE 37 4.311 5.449 4.342 306 HZ PHE 37 HZ PHE 37 4.844 3.204 3.486 307 H LYS 38 HN LYS 38 2.091 4.144 10.848 308 HA LYS 38 HA LYS 38 2.983 6.902 10.300 309 HB2 LYS 38 HB2 LYS 38 1.702 5.797 12.809 310 HB3 LYS 38 HB1 LYS 38 2.412 7.400 12.687 311 HG2 LYS 38 HG2 LYS 38 0.780 7.916 10.881 312 HG3 LYS 38 HG1 LYS 38 0.019 6.354 11.188 313 HD2 LYS 38 HD2 LYS 38 -0.354 7.053 13.540 314 HD3 LYS 38 HD1 LYS 38 0.301 8.640 13.140 315 HE2 LYS 38 HE2 LYS 38 -2.058 7.422 11.720 316 HE3 LYS 38 HE1 LYS 38 -2.218 8.448 13.144 317 HZ1 LYS 38 HZ1 LYS 38 -2.501 9.738 11.142 318 HZ2 LYS 38 HZ2 LYS 38 -1.000 9.233 10.551 319 HZ3 LYS 38 HZ3 LYS 38 -1.079 10.219 11.923 320 H CYS 39 HN CYS 39 4.671 7.717 11.759 321 HA CYS 39 HA CYS 39 6.911 5.995 11.904 322 HB2 CYS 39 HB2 CYS 39 7.020 8.471 11.597 323 HB3 CYS 39 HB1 CYS 39 6.548 8.660 13.281 324 H ALA 40 HN ALA 40 8.025 5.147 13.661 325 HA ALA 40 HA ALA 40 6.368 4.532 15.982 326 HB1 ALA 40 HB1 ALA 40 7.574 2.767 14.657 327 HB2 ALA 40 HB2 ALA 40 7.840 2.727 16.399 328 HB3 ALA 40 HB3 ALA 40 9.076 3.395 15.333 329 H ALA 41 HN ALA 41 8.651 6.848 15.212 330 HA ALA 41 HA ALA 41 9.688 6.998 17.960 331 HB1 ALA 41 HB1 ALA 41 11.519 8.287 17.120 332 HB2 ALA 41 HB2 ALA 41 10.768 8.408 15.530 333 HB3 ALA 41 HB3 ALA 41 11.345 6.849 16.115 334 H CYS 42 HN CYS 42 8.431 9.130 15.364 335 HA CYS 42 HA CYS 42 7.722 11.091 17.441 336 HB2 CYS 42 HB2 CYS 42 7.704 12.788 15.711 337 HB3 CYS 42 HB1 CYS 42 9.229 11.913 15.661 338 H GLN 43 HN GLN 43 6.337 8.684 15.646 339 HA GLN 43 HA GLN 43 4.233 7.979 15.231 340 HB2 GLN 43 HB2 GLN 43 3.610 10.173 17.189 341 HB3 GLN 43 HB1 GLN 43 2.334 9.214 16.455 342 HG2 GLN 43 HG2 GLN 43 4.626 7.920 17.888 343 HG3 GLN 43 HG1 GLN 43 3.220 8.525 18.762 344 HE21 GLN 43 HE21 GLN 43 4.404 6.152 16.516 345 HE22 GLN 43 HE22 GLN 43 3.032 5.105 16.582 346 H LYS 44 HN LYS 44 5.470 10.477 13.769 347 HA LYS 44 HA LYS 44 3.303 11.954 12.691 348 HB2 LYS 44 HB2 LYS 44 5.898 12.393 12.674 349 HB3 LYS 44 HB1 LYS 44 5.832 11.536 11.144 350 HG2 LYS 44 HG2 LYS 44 4.219 13.170 10.299 351 HG3 LYS 44 HG1 LYS 44 4.286 14.028 11.840 352 HD2 LYS 44 HD2 LYS 44 6.674 14.452 11.495 353 HD3 LYS 44 HD1 LYS 44 6.605 13.591 9.956 354 HE2 LYS 44 HE2 LYS 44 5.003 15.237 9.111 355 HE3 LYS 44 HE1 LYS 44 5.068 16.093 10.651 356 HZ1 LYS 44 HZ1 LYS 44 7.416 16.522 10.271 357 HZ2 LYS 44 HZ2 LYS 44 6.485 17.138 9.002 358 HZ3 LYS 44 HZ3 LYS 44 7.351 15.701 8.792 359 H HIS 45 HN HIS 45 2.650 11.951 10.390 360 HA HIS 45 HA HIS 45 2.204 9.202 9.480 361 HB2 HIS 45 HB2 HIS 45 0.397 10.228 8.050 362 HB3 HIS 45 HB1 HIS 45 0.142 10.374 9.782 363 HD1 HIS 45 HD1 HIS 45 0.434 12.350 6.698 364 HD2 HIS 45 HD2 HIS 45 0.571 13.053 10.792 365 HE1 HIS 45 HE1 HIS 45 0.147 14.834 6.964 366 HE2 HIS 45 HE2 HIS 45 0.144 15.224 9.453 367 H PHE 46 HN PHE 46 2.478 8.585 7.325 368 HA PHE 46 HA PHE 46 4.535 10.126 5.911 369 HB2 PHE 46 HB2 PHE 46 3.725 7.228 5.712 370 HB3 PHE 46 HB1 PHE 46 4.893 7.979 4.646 371 HD1 PHE 46 HD2 PHE 46 4.253 7.539 8.309 372 HD2 PHE 46 HD1 PHE 46 7.117 7.757 5.165 373 HE1 PHE 46 HE2 PHE 46 6.035 7.018 9.909 374 HE2 PHE 46 HE1 PHE 46 8.908 7.227 6.762 375 HZ PHE 46 HZ PHE 46 8.371 6.857 9.140 376 H SER 47 HN SER 47 4.382 10.590 3.759 377 HA SER 47 HA SER 47 1.710 10.363 2.540 378 HB2 SER 47 HB2 SER 47 3.647 12.682 2.336 379 HB3 SER 47 HB1 SER 47 2.112 12.561 1.477 380 HG SER 47 HG SER 47 2.604 13.317 4.036 381 H VAL 48 HN VAL 48 1.659 10.369 0.193 382 HA VAL 48 HA VAL 48 3.540 8.602 -0.965 383 HB VAL 48 HB VAL 48 2.370 9.179 -3.161 384 HG11 VAL 48 HG11 VAL 48 1.827 7.211 -1.861 385 HG12 VAL 48 HG12 VAL 48 0.361 7.911 -2.548 386 HG13 VAL 48 HG13 VAL 48 0.739 8.154 -0.843 387 HG21 VAL 48 HG21 VAL 48 1.515 11.396 -2.579 388 HG22 VAL 48 HG22 VAL 48 0.521 10.691 -1.303 389 HG23 VAL 48 HG23 VAL 48 0.192 10.305 -2.993 390 H GLY 49 HN GLY 49 5.274 8.883 -2.259 391 HA2 GLY 49 HA2 GLY 49 6.529 10.171 -3.881 392 HA3 GLY 49 HA1 GLY 49 5.965 11.630 -3.086 393 H ASP 50 HN ASP 50 6.519 10.284 -0.413 394 HA ASP 50 HA ASP 50 9.357 10.996 -0.305 395 HB2 ASP 50 HB2 ASP 50 7.241 10.722 1.832 396 HB3 ASP 50 HB1 ASP 50 8.945 10.963 2.203 397 H ARG 51 HN ARG 51 10.884 9.701 0.815 398 HA ARG 51 HA ARG 51 10.450 6.851 0.478 399 HB2 ARG 51 HB2 ARG 51 12.903 8.449 1.226 400 HB3 ARG 51 HB1 ARG 51 12.887 6.701 1.066 401 HG2 ARG 51 HG2 ARG 51 12.055 7.085 -1.308 402 HG3 ARG 51 HG1 ARG 51 12.514 8.770 -1.071 403 HD2 ARG 51 HD2 ARG 51 14.804 8.096 -0.588 404 HD3 ARG 51 HD1 ARG 51 14.356 6.401 -0.770 405 HE ARG 51 HE ARG 51 13.737 7.931 -3.099 406 HH11 ARG 51 HH11 ARG 51 16.386 6.301 -1.465 407 HH12 ARG 51 HH12 ARG 51 17.287 6.058 -2.924 408 HH21 ARG 51 HH21 ARG 51 14.935 7.603 -4.995 409 HH22 ARG 51 HH22 ARG 51 16.466 6.796 -4.920 410 H TYR 52 HN TYR 52 10.414 5.320 2.067 411 HA TYR 52 HA TYR 52 10.615 6.238 4.855 412 HB2 TYR 52 HB2 TYR 52 8.653 5.002 5.488 413 HB3 TYR 52 HB1 TYR 52 8.224 6.034 4.134 414 HD1 TYR 52 HD2 TYR 52 7.894 5.017 1.870 415 HD2 TYR 52 HD1 TYR 52 8.457 2.624 5.348 416 HE1 TYR 52 HE2 TYR 52 6.999 3.066 0.671 417 HE2 TYR 52 HE1 TYR 52 7.564 0.674 4.157 418 HH TYR 52 HH TYR 52 6.105 0.193 2.239 419 H LEU 53 HN LEU 53 11.087 4.585 6.415 420 HA LEU 53 HA LEU 53 12.518 2.282 5.267 421 HB2 LEU 53 HB2 LEU 53 13.911 4.029 6.421 422 HB3 LEU 53 HB1 LEU 53 13.061 3.650 7.906 423 HG LEU 53 HG LEU 53 14.085 1.211 6.854 424 HD11 LEU 53 HD11 LEU 53 15.676 2.479 5.568 425 HD12 LEU 53 HD12 LEU 53 16.501 1.722 6.931 426 HD13 LEU 53 HD13 LEU 53 16.106 3.439 6.982 427 HD21 LEU 53 HD21 LEU 53 13.597 1.768 9.204 428 HD22 LEU 53 HD22 LEU 53 14.983 2.858 9.211 429 HD23 LEU 53 HD23 LEU 53 15.225 1.127 8.980 430 H LEU 54 HN LEU 54 11.854 0.312 5.838 431 HA LEU 54 HA LEU 54 9.652 0.071 7.735 432 HB2 LEU 54 HB2 LEU 54 9.724 -0.964 5.372 433 HB3 LEU 54 HB1 LEU 54 10.802 -2.155 6.068 434 HG LEU 54 HG LEU 54 8.858 -2.497 7.798 435 HD11 LEU 54 HD11 LEU 54 7.405 -1.298 5.444 436 HD12 LEU 54 HD12 LEU 54 7.457 -0.663 7.088 437 HD13 LEU 54 HD13 LEU 54 6.641 -2.191 6.759 438 HD21 LEU 54 HD21 LEU 54 9.666 -4.199 6.265 439 HD22 LEU 54 HD22 LEU 54 8.718 -3.495 4.956 440 HD23 LEU 54 HD23 LEU 54 7.904 -4.222 6.341 441 H ILE 55 HN ILE 55 10.083 -0.323 9.780 442 HA ILE 55 HA ILE 55 12.573 -1.649 10.519 443 HB ILE 55 HB ILE 55 11.513 0.550 11.601 444 HG12 ILE 55 HG12 ILE 55 12.796 -0.226 13.775 445 HG13 ILE 55 HG11 ILE 55 13.255 -1.581 12.752 446 HG21 ILE 55 HG21 ILE 55 10.548 -1.566 13.514 447 HG22 ILE 55 HG22 ILE 55 9.499 -0.608 12.467 448 HG23 ILE 55 HG23 ILE 55 10.452 0.184 13.722 449 HD11 ILE 55 HD11 ILE 55 13.697 1.304 12.021 450 HD12 ILE 55 HD12 ILE 55 14.316 -0.121 11.186 451 HD13 ILE 55 HD13 ILE 55 14.899 0.278 12.803 452 H ASN 56 HN ASN 56 12.270 -3.058 12.645 453 HA ASN 56 HA ASN 56 11.313 -5.526 11.955 454 HB2 ASN 56 HB2 ASN 56 11.485 -4.428 14.765 455 HB3 ASN 56 HB1 ASN 56 11.474 -6.128 14.318 456 HD21 ASN 56 HD21 ASN 56 13.290 -3.161 14.264 457 HD22 ASN 56 HD22 ASN 56 14.834 -3.872 13.966 458 H SER 57 HN SER 57 9.449 -2.966 13.545 459 HA SER 57 HA SER 57 7.093 -4.731 13.435 460 HB2 SER 57 HB2 SER 57 7.860 -4.186 15.752 461 HB3 SER 57 HB1 SER 57 7.524 -2.488 15.418 462 HG SER 57 HG SER 57 5.840 -4.072 16.417 463 H ASP 58 HN ASP 58 7.903 -1.225 13.498 464 HA ASP 58 HA ASP 58 5.665 -0.796 11.626 465 HB2 ASP 58 HB2 ASP 58 6.573 0.843 13.982 466 HB3 ASP 58 HB1 ASP 58 5.578 1.541 12.709 467 H ILE 59 HN ILE 59 6.177 1.952 11.141 468 HA ILE 59 HA ILE 59 8.644 1.801 9.531 469 HB ILE 59 HB ILE 59 6.234 3.573 9.038 470 HG12 ILE 59 HG12 ILE 59 6.714 1.562 7.013 471 HG13 ILE 59 HG11 ILE 59 6.438 0.817 8.585 472 HG21 ILE 59 HG21 ILE 59 8.133 4.594 8.076 473 HG22 ILE 59 HG22 ILE 59 7.264 3.799 6.763 474 HG23 ILE 59 HG23 ILE 59 8.719 3.058 7.436 475 HD11 ILE 59 HD11 ILE 59 4.614 2.743 7.167 476 HD12 ILE 59 HD12 ILE 59 4.345 2.101 8.787 477 HD13 ILE 59 HD13 ILE 59 4.359 1.013 7.399 478 H VAL 60 HN VAL 60 10.124 3.468 9.609 479 HA VAL 60 HA VAL 60 9.638 5.585 11.609 480 HB VAL 60 HB VAL 60 12.373 4.422 11.021 481 HG11 VAL 60 HG11 VAL 60 12.407 6.663 11.968 482 HG12 VAL 60 HG12 VAL 60 12.990 5.492 13.151 483 HG13 VAL 60 HG13 VAL 60 11.357 6.144 13.286 484 HG21 VAL 60 HG21 VAL 60 12.238 3.089 13.003 485 HG22 VAL 60 HG22 VAL 60 10.835 2.708 12.004 486 HG23 VAL 60 HG23 VAL 60 10.657 3.756 13.410 487 H CYS 61 HN CYS 61 9.818 7.605 10.906 488 HA CYS 61 HA CYS 61 10.292 8.273 8.208 489 HB2 CYS 61 HB2 CYS 61 9.863 10.511 8.839 490 HB3 CYS 61 HB1 CYS 61 8.876 9.527 9.912 491 H GLU 62 HN GLU 62 11.907 9.718 7.325 492 HA GLU 62 HA GLU 62 14.559 8.956 7.800 493 HB2 GLU 62 HB2 GLU 62 13.370 11.282 6.302 494 HB3 GLU 62 HB1 GLU 62 15.104 11.004 6.371 495 HG2 GLU 62 HG2 GLU 62 14.794 8.810 5.341 496 HG3 GLU 62 HG1 GLU 62 13.055 9.091 5.272 497 H GLN 63 HN GLN 63 12.628 11.362 9.335 498 HA GLN 63 HA GLN 63 14.668 13.084 10.302 499 HB2 GLN 63 HB2 GLN 63 12.042 13.335 10.225 500 HB3 GLN 63 HB1 GLN 63 12.143 12.648 11.839 501 HG2 GLN 63 HG2 GLN 63 13.622 14.468 12.524 502 HG3 GLN 63 HG1 GLN 63 13.530 15.154 10.903 503 HE21 GLN 63 HE21 GLN 63 11.626 16.141 10.227 504 HE22 GLN 63 HE22 GLN 63 10.396 16.625 11.340 505 H ASP 64 HN ASP 64 13.143 10.178 11.638 506 HA ASP 64 HA ASP 64 15.020 10.231 13.914 507 HB2 ASP 64 HB2 ASP 64 12.528 8.539 13.754 508 HB3 ASP 64 HB1 ASP 64 13.467 8.949 15.179 509 H ILE 65 HN ILE 65 14.967 8.880 10.970 510 HA ILE 65 HA ILE 65 15.146 6.118 11.269 511 HB ILE 65 HB ILE 65 14.949 7.114 9.083 512 HG12 ILE 65 HG12 ILE 65 17.163 5.223 9.668 513 HG13 ILE 65 HG11 ILE 65 15.727 4.999 8.684 514 HG21 ILE 65 HG21 ILE 65 16.272 9.128 9.385 515 HG22 ILE 65 HG22 ILE 65 16.794 8.258 7.943 516 HG23 ILE 65 HG23 ILE 65 17.756 8.173 9.417 517 HD11 ILE 65 HD11 ILE 65 18.185 6.522 7.852 518 HD12 ILE 65 HD12 ILE 65 16.770 6.185 6.848 519 HD13 ILE 65 HD13 ILE 65 17.807 4.861 7.392 520 H TYR 66 HN TYR 66 17.888 8.414 11.252 521 HA TYR 66 HA TYR 66 19.932 6.561 11.644 522 HB2 TYR 66 HB2 TYR 66 20.264 8.885 10.880 523 HB3 TYR 66 HB1 TYR 66 19.863 9.468 12.490 524 HD1 TYR 66 HD2 TYR 66 21.431 9.230 14.325 525 HD2 TYR 66 HD1 TYR 66 22.419 7.849 10.426 526 HE1 TYR 66 HE2 TYR 66 23.780 9.062 14.995 527 HE2 TYR 66 HE1 TYR 66 24.786 7.678 11.083 528 HH TYR 66 HH TYR 66 25.813 7.848 14.314 529 H GLU 67 HN GLU 67 18.337 8.599 14.125 530 HA GLU 67 HA GLU 67 19.755 7.552 16.328 531 HB2 GLU 67 HB2 GLU 67 17.155 9.056 16.108 532 HB3 GLU 67 HB1 GLU 67 17.803 8.543 17.659 533 HG2 GLU 67 HG2 GLU 67 19.830 9.841 17.243 534 HG3 GLU 67 HG1 GLU 67 19.181 10.353 15.686 535 H TRP 68 HN TRP 68 16.612 6.628 14.927 536 HA TRP 68 HA TRP 68 15.837 4.822 16.964 537 HB2 TRP 68 HB2 TRP 68 14.275 5.800 15.297 538 HB3 TRP 68 HB1 TRP 68 15.013 4.800 14.051 539 HD1 TRP 68 HD1 TRP 68 14.412 2.220 14.023 540 HE1 TRP 68 HE1 TRP 68 12.527 0.857 15.129 541 HE3 TRP 68 HE3 TRP 68 12.816 5.658 17.467 542 HZ2 TRP 68 HZ2 TRP 68 10.627 1.188 17.183 543 HZ3 TRP 68 HZ3 TRP 68 10.962 5.049 18.965 544 HH2 TRP 68 HH2 TRP 68 9.893 2.860 18.824 545 H THR 69 HN THR 69 17.359 4.207 13.783 546 HA THR 69 HA THR 69 17.607 1.412 14.059 547 HB THR 69 HB THR 69 19.411 1.612 12.303 548 HG1 THR 69 HG1 THR 69 19.119 3.990 11.411 549 HG21 THR 69 HG21 THR 69 16.800 3.021 11.737 550 HG22 THR 69 HG22 THR 69 17.071 1.280 11.684 551 HG23 THR 69 HG23 THR 69 17.881 2.333 10.525 552 H LYS 70 HN LYS 70 19.528 4.043 15.195 553 HA LYS 70 HA LYS 70 21.955 2.718 15.782 554 HB2 LYS 70 HB2 LYS 70 21.262 5.265 15.706 555 HB3 LYS 70 HB1 LYS 70 20.970 5.019 17.420 556 HG2 LYS 70 HG2 LYS 70 23.272 4.351 17.750 557 HG3 LYS 70 HG1 LYS 70 23.576 4.492 16.017 558 HD2 LYS 70 HD2 LYS 70 22.936 6.902 16.175 559 HD3 LYS 70 HD1 LYS 70 22.845 6.710 17.926 560 HE2 LYS 70 HE2 LYS 70 25.315 6.082 16.326 561 HE3 LYS 70 HE1 LYS 70 24.995 7.670 17.019 562 HZ1 LYS 70 HZ1 LYS 70 26.403 6.343 18.464 563 HZ2 LYS 70 HZ2 LYS 70 25.224 5.134 18.550 564 HZ3 LYS 70 HZ3 LYS 70 24.919 6.660 19.214 565 H ILE 71 HN ILE 71 19.041 3.311 17.704 566 HA ILE 71 HA ILE 71 20.126 2.035 20.076 567 HB ILE 71 HB ILE 71 17.248 2.869 19.730 568 HG12 ILE 71 HG12 ILE 71 18.495 4.851 19.104 569 HG13 ILE 71 HG11 ILE 71 17.830 5.086 20.710 570 HG21 ILE 71 HG21 ILE 71 17.701 1.554 21.706 571 HG22 ILE 71 HG22 ILE 71 17.324 3.215 22.164 572 HG23 ILE 71 HG23 ILE 71 18.996 2.655 22.179 573 HD11 ILE 71 HD11 ILE 71 20.701 4.417 20.063 574 HD12 ILE 71 HD12 ILE 71 20.042 4.655 21.681 575 HD13 ILE 71 HD13 ILE 71 20.077 5.998 20.538 576 H ASN 72 HN ASN 72 17.524 1.350 17.730 577 HA ASN 72 HA ASN 72 16.828 -1.161 18.936 578 HB2 ASN 72 HB2 ASN 72 16.005 0.224 16.398 579 HB3 ASN 72 HB1 ASN 72 15.480 -1.417 16.762 580 HD21 ASN 72 HD21 ASN 72 15.187 1.933 17.569 581 HD22 ASN 72 HD22 ASN 72 13.840 1.774 18.636 582 H GLY 73 HN GLY 73 18.971 -0.177 16.350 583 HA2 GLY 73 HA2 GLY 73 19.409 -2.971 15.554 584 HA3 GLY 73 HA1 GLY 73 19.957 -1.552 14.674 585 H GLY 74 HN GLY 74 22.087 -1.441 14.641 586 HA2 GLY 74 HA2 GLY 74 23.808 -0.928 16.642 587 HA3 GLY 74 HA1 GLY 74 23.691 -2.680 16.717 588 H SER 75 HN SER 75 25.464 -0.201 15.522 589 HA SER 75 HA SER 75 26.293 -1.596 13.078 590 HB2 SER 75 HB2 SER 75 26.956 1.190 14.062 591 HB3 SER 75 HB1 SER 75 27.488 0.499 12.530 592 HG SER 75 HG SER 75 24.751 0.557 13.163 593 H GLY 76 HN GLY 76 28.374 -2.289 12.738 594 HA2 GLY 76 HA2 GLY 76 30.752 -2.139 13.450 595 HA3 GLY 76 HA1 GLY 76 30.155 -2.256 15.098 596 H GLY 77 HN GLY 77 31.162 -3.954 12.318 597 HA2 GLY 77 HA2 GLY 77 31.966 -6.199 12.476 598 HA3 GLY 77 HA1 GLY 77 30.773 -6.505 13.731 599 H SER 78 HN SER 78 29.882 -8.297 12.773 600 HA SER 78 HA SER 78 28.509 -7.873 10.200 601 HB2 SER 78 HB2 SER 78 29.449 -10.468 11.449 602 HB3 SER 78 HB1 SER 78 28.580 -10.328 9.920 603 HG SER 78 HG SER 78 30.320 -9.403 8.997 604 H GLY 79 HN GLY 79 26.358 -8.023 10.125 605 HA2 GLY 79 HA2 GLY 79 24.530 -9.574 11.234 606 HA3 GLY 79 HA1 GLY 79 24.921 -8.560 12.614 607 H GLY 80 HN GLY 80 23.232 -8.807 9.635 608 HA2 GLY 80 HA2 GLY 80 21.236 -7.094 9.957 609 HA3 GLY 80 HA1 GLY 80 22.532 -5.974 9.561 610 H SER 81 HN SER 81 19.995 -7.579 8.298 611 HA SER 81 HA SER 81 21.169 -7.613 5.594 612 HB2 SER 81 HB2 SER 81 19.052 -9.478 6.696 613 HB3 SER 81 HB1 SER 81 19.616 -9.451 5.026 614 HG SER 81 HG SER 81 21.789 -9.664 6.359 615 H GLY 82 HN GLY 82 20.034 -6.644 3.984 616 HA2 GLY 82 HA2 GLY 82 18.054 -5.792 2.963 617 HA3 GLY 82 HA1 GLY 82 17.332 -5.641 4.557 618 H GLY 83 HN GLY 83 19.090 -4.090 2.082 619 HA2 GLY 83 HA2 GLY 83 19.180 -1.620 3.691 620 HA3 GLY 83 HA1 GLY 83 20.568 -2.102 2.728 621 H ASP 84 HN ASP 84 17.058 -1.989 2.129 622 HA ASP 84 HA ASP 84 17.560 -0.205 -0.160 623 HB2 ASP 84 HB2 ASP 84 15.820 -2.674 -0.097 624 HB3 ASP 84 HB1 ASP 84 15.683 -1.438 -1.344 625 H VAL 85 HN VAL 85 16.265 1.521 -0.286 626 HA VAL 85 HA VAL 85 14.037 1.713 1.632 627 HB VAL 85 HB VAL 85 15.287 4.089 0.246 628 HG11 VAL 85 HG11 VAL 85 13.821 3.836 2.873 629 HG12 VAL 85 HG12 VAL 85 13.125 4.423 1.363 630 HG13 VAL 85 HG13 VAL 85 14.416 5.331 2.151 631 HG21 VAL 85 HG21 VAL 85 16.177 2.885 2.866 632 HG22 VAL 85 HG22 VAL 85 16.702 4.441 2.223 633 HG23 VAL 85 HG23 VAL 85 17.117 2.950 1.376 634 H MET 86 HN MET 86 12.013 2.064 0.955 635 HA MET 86 HA MET 86 11.548 2.460 -1.933 636 HB2 MET 86 HB2 MET 86 10.098 0.702 0.040 637 HB3 MET 86 HB1 MET 86 9.379 1.176 -1.492 638 HG2 MET 86 HG2 MET 86 11.229 0.121 -2.689 639 HG3 MET 86 HG1 MET 86 11.951 -0.353 -1.152 640 HE1 MET 86 HE1 MET 86 12.069 -2.874 -1.992 641 HE2 MET 86 HE2 MET 86 11.344 -2.401 -3.528 642 HE3 MET 86 HE3 MET 86 10.681 -3.760 -2.622 643 H VAL 87 HN VAL 87 9.620 3.573 -2.535 644 HA VAL 87 HA VAL 87 8.850 5.637 -0.633 645 HB VAL 87 HB VAL 87 9.709 6.354 -2.818 646 HG11 VAL 87 HG11 VAL 87 7.320 4.985 -4.047 647 HG12 VAL 87 HG12 VAL 87 9.002 4.473 -4.196 648 HG13 VAL 87 HG13 VAL 87 8.483 6.008 -4.893 649 HG21 VAL 87 HG21 VAL 87 7.912 7.896 -3.455 650 HG22 VAL 87 HG22 VAL 87 8.155 7.818 -1.711 651 HG23 VAL 87 HG23 VAL 87 6.793 6.978 -2.450 652 H VAL 88 HN VAL 88 6.664 6.129 -0.161 653 HA VAL 88 HA VAL 88 4.927 3.907 0.114 654 HB VAL 88 HB VAL 88 3.925 6.741 0.291 655 HG11 VAL 88 HG11 VAL 88 2.298 4.970 0.632 656 HG12 VAL 88 HG12 VAL 88 2.583 5.843 2.138 657 HG13 VAL 88 HG13 VAL 88 3.310 4.256 1.889 658 HG21 VAL 88 HG21 VAL 88 4.742 6.897 2.589 659 HG22 VAL 88 HG22 VAL 88 6.076 6.750 1.447 660 HG23 VAL 88 HG23 VAL 88 5.577 5.354 2.402 661 H GLY 89 HN GLY 89 3.985 2.928 -1.537 662 HA2 GLY 89 HA2 GLY 89 3.319 4.126 -4.026 663 HA3 GLY 89 HA1 GLY 89 2.825 2.534 -3.488 664 H GLU 90 HN GLU 90 1.097 3.958 -5.000 665 HA GLU 90 HA GLU 90 -0.728 5.603 -3.596 666 HB2 GLU 90 HB2 GLU 90 -0.966 4.013 -6.148 667 HB3 GLU 90 HB1 GLU 90 -2.289 4.990 -5.529 668 HG2 GLU 90 HG2 GLU 90 -1.275 6.388 -7.068 669 HG3 GLU 90 HG1 GLU 90 -0.588 6.922 -5.537 670 HA PRO 91 HA PRO 91 -3.195 2.547 -1.443 671 HB2 PRO 91 HB2 PRO 91 -5.698 3.954 -1.788 672 HB3 PRO 91 HB1 PRO 91 -4.687 3.849 -0.348 673 HG2 PRO 91 HG2 PRO 91 -5.047 6.154 -1.772 674 HG3 PRO 91 HG1 PRO 91 -3.602 5.811 -0.807 675 HD2 PRO 91 HD2 PRO 91 -4.005 5.584 -3.766 676 HD3 PRO 91 HD1 PRO 91 -2.603 6.187 -2.860 677 H THR 92 HN THR 92 -4.178 0.679 -1.915 678 HA THR 92 HA THR 92 -5.725 0.496 -4.420 679 HB THR 92 HB THR 92 -4.988 -1.942 -4.447 680 HG1 THR 92 HG1 THR 92 -2.868 -2.171 -3.330 681 HG21 THR 92 HG21 THR 92 -2.872 0.183 -4.815 682 HG22 THR 92 HG22 THR 92 -4.080 -0.296 -6.008 683 HG23 THR 92 HG23 THR 92 -2.833 -1.438 -5.509 684 H LEU 93 HN LEU 93 -7.776 0.012 -4.146 685 HA LEU 93 HA LEU 93 -8.924 -0.693 -1.661 686 HB2 LEU 93 HB2 LEU 93 -11.025 -1.039 -3.012 687 HB3 LEU 93 HB1 LEU 93 -10.287 0.544 -3.126 688 HG LEU 93 HG LEU 93 -9.182 -0.586 -5.300 689 HD11 LEU 93 HD11 LEU 93 -10.280 -2.736 -4.989 690 HD12 LEU 93 HD12 LEU 93 -10.851 -1.946 -6.459 691 HD13 LEU 93 HD13 LEU 93 -11.857 -1.946 -5.011 692 HD21 LEU 93 HD21 LEU 93 -10.950 0.501 -6.605 693 HD22 LEU 93 HD22 LEU 93 -10.418 1.505 -5.255 694 HD23 LEU 93 HD23 LEU 93 -11.942 0.622 -5.150 695 H MET 94 HN MET 94 -10.044 -2.572 -1.018 696 HA MET 94 HA MET 94 -8.697 -5.010 -1.507 697 HB2 MET 94 HB2 MET 94 -10.149 -4.158 0.531 698 HB3 MET 94 HB1 MET 94 -11.443 -4.979 -0.328 699 HG2 MET 94 HG2 MET 94 -10.134 -7.057 -0.281 700 HG3 MET 94 HG1 MET 94 -8.873 -6.224 0.626 701 HE1 MET 94 HE1 MET 94 -10.478 -8.587 3.313 702 HE2 MET 94 HE2 MET 94 -8.981 -8.089 2.524 703 HE3 MET 94 HE3 MET 94 -10.227 -8.932 1.602 704 H GLY 95 HN GLY 95 -9.444 -6.954 -2.444 705 HA2 GLY 95 HA2 GLY 95 -11.784 -6.810 -4.201 706 HA3 GLY 95 HA1 GLY 95 -10.224 -7.138 -4.940 707 H GLY 96 HN GLY 96 -9.070 -9.066 -4.262 708 HA2 GLY 96 HA2 GLY 96 -9.835 -11.072 -2.601 709 HA3 GLY 96 HA1 GLY 96 -10.864 -11.312 -4.005 710 H GLU 97 HN GLU 97 -7.608 -11.398 -2.772 711 HA GLU 97 HA GLU 97 -6.791 -12.976 -5.118 712 HB2 GLU 97 HB2 GLU 97 -5.252 -10.799 -3.714 713 HB3 GLU 97 HB1 GLU 97 -4.453 -12.018 -4.697 714 HG2 GLU 97 HG2 GLU 97 -5.805 -11.316 -6.628 715 HG3 GLU 97 HG1 GLU 97 -6.537 -10.057 -5.633 716 H PHE 98 HN PHE 98 -5.851 -14.874 -4.691 717 HA PHE 98 HA PHE 98 -4.947 -15.423 -1.943 718 HB2 PHE 98 HB2 PHE 98 -6.691 -17.158 -3.696 719 HB3 PHE 98 HB1 PHE 98 -5.851 -17.769 -2.276 720 HD1 PHE 98 HD1 PHE 98 -6.549 -17.136 -0.046 721 HD2 PHE 98 HD2 PHE 98 -8.583 -15.668 -3.485 722 HE1 PHE 98 HE1 PHE 98 -8.425 -16.418 1.375 723 HE2 PHE 98 HE2 PHE 98 -10.461 -14.946 -2.070 724 HZ PHE 98 HZ PHE 98 -10.384 -15.320 0.363 725 H GLY 99 HN GLY 99 -4.690 -16.203 -5.376 726 HA2 GLY 99 HA2 GLY 99 -2.327 -17.863 -4.924 727 HA3 GLY 99 HA1 GLY 99 -3.156 -17.630 -6.454 728 H ASP 100 HN ASP 100 -1.420 -17.081 -7.688 729 HA ASP 100 HA ASP 100 -0.294 -14.438 -7.236 730 HB2 ASP 100 HB2 ASP 100 2.024 -15.282 -7.811 731 HB3 ASP 100 HB1 ASP 100 1.431 -15.746 -6.224 732 H GLU 101 HN GLU 101 -1.410 -13.651 -8.932 733 HA GLU 101 HA GLU 101 -1.244 -14.875 -11.561 734 HB2 GLU 101 HB2 GLU 101 -2.695 -12.455 -10.499 735 HB3 GLU 101 HB1 GLU 101 -2.662 -12.852 -12.211 736 HG2 GLU 101 HG2 GLU 101 -3.599 -14.841 -10.174 737 HG3 GLU 101 HG1 GLU 101 -4.678 -13.603 -10.814 738 H ASP 102 HN ASP 102 0.433 -12.459 -9.794 739 HA ASP 102 HA ASP 102 1.377 -10.975 -12.092 740 HB2 ASP 102 HB2 ASP 102 2.049 -10.856 -9.153 741 HB3 ASP 102 HB1 ASP 102 2.851 -9.852 -10.357 742 H GLU 103 HN GLU 103 2.479 -13.660 -10.164 743 HA GLU 103 HA GLU 103 5.204 -13.539 -11.168 744 HB2 GLU 103 HB2 GLU 103 3.775 -15.445 -9.322 745 HB3 GLU 103 HB1 GLU 103 5.419 -15.722 -9.872 746 HG2 GLU 103 HG2 GLU 103 6.119 -13.615 -8.858 747 HG3 GLU 103 HG1 GLU 103 4.468 -13.330 -8.310 748 H ARG 104 HN ARG 104 2.275 -14.755 -12.287 749 HA ARG 104 HA ARG 104 3.384 -17.046 -13.699 750 HB2 ARG 104 HB2 ARG 104 0.611 -15.884 -13.497 751 HB3 ARG 104 HB1 ARG 104 1.001 -17.182 -14.617 752 HG2 ARG 104 HG2 ARG 104 1.685 -18.599 -12.753 753 HG3 ARG 104 HG1 ARG 104 1.318 -17.293 -11.623 754 HD2 ARG 104 HD2 ARG 104 -1.025 -17.344 -12.334 755 HD3 ARG 104 HD1 ARG 104 -0.655 -18.652 -13.457 756 HE ARG 104 HE ARG 104 0.168 -19.475 -10.933 757 HH11 ARG 104 HH11 ARG 104 -2.867 -18.679 -12.511 758 HH12 ARG 104 HH12 ARG 104 -3.798 -19.739 -11.508 759 HH21 ARG 104 HH21 ARG 104 -1.071 -20.858 -9.633 760 HH22 ARG 104 HH22 ARG 104 -2.783 -20.972 -9.881 761 H LEU 105 HN LEU 105 3.216 -13.751 -14.241 762 HA LEU 105 HA LEU 105 2.891 -13.917 -17.135 763 HB2 LEU 105 HB2 LEU 105 1.967 -12.070 -15.535 764 HB3 LEU 105 HB1 LEU 105 3.586 -11.411 -15.641 765 HG LEU 105 HG LEU 105 2.170 -12.001 -18.198 766 HD11 LEU 105 HD11 LEU 105 1.551 -9.626 -16.448 767 HD12 LEU 105 HD12 LEU 105 0.435 -10.921 -16.886 768 HD13 LEU 105 HD13 LEU 105 1.046 -9.824 -18.126 769 HD21 LEU 105 HD21 LEU 105 3.362 -9.985 -18.909 770 HD22 LEU 105 HD22 LEU 105 4.467 -11.170 -18.212 771 HD23 LEU 105 HD23 LEU 105 3.972 -9.763 -17.269 772 H ILE 106 HN ILE 106 5.375 -13.184 -14.728 773 HA ILE 106 HA ILE 106 7.644 -13.112 -14.773 774 HB ILE 106 HB ILE 106 7.609 -14.359 -17.535 775 HG12 ILE 106 HG12 ILE 106 8.083 -16.386 -15.658 776 HG13 ILE 106 HG11 ILE 106 6.706 -15.494 -15.020 777 HG21 ILE 106 HG21 ILE 106 9.765 -15.314 -16.850 778 HG22 ILE 106 HG22 ILE 106 9.640 -14.473 -15.304 779 HG23 ILE 106 HG23 ILE 106 9.787 -13.551 -16.801 780 HD11 ILE 106 HD11 ILE 106 6.903 -16.704 -17.768 781 HD12 ILE 106 HD12 ILE 106 5.521 -15.816 -17.125 782 HD13 ILE 106 HD13 ILE 106 5.993 -17.354 -16.404 783 H THR 107 HN THR 107 8.926 -11.420 -15.045 784 HA THR 107 HA THR 107 8.361 -9.553 -17.239 785 HB THR 107 HB THR 107 9.792 -7.961 -15.859 786 HG1 THR 107 HG1 THR 107 9.884 -10.228 -14.290 787 HG21 THR 107 HG21 THR 107 7.250 -9.016 -14.614 788 HG22 THR 107 HG22 THR 107 7.353 -7.812 -15.897 789 HG23 THR 107 HG23 THR 107 7.978 -7.443 -14.290 790 H ARG 108 HN ARG 108 10.031 -8.615 -18.463 791 HA ARG 108 HA ARG 108 12.394 -10.330 -18.748 792 HB2 ARG 108 HB2 ARG 108 11.042 -8.393 -20.621 793 HB3 ARG 108 HB1 ARG 108 12.635 -9.056 -20.951 794 HG2 ARG 108 HG2 ARG 108 11.702 -11.316 -20.923 795 HG3 ARG 108 HG1 ARG 108 10.103 -10.649 -20.591 796 HD2 ARG 108 HD2 ARG 108 10.177 -9.430 -22.714 797 HD3 ARG 108 HD1 ARG 108 11.773 -10.102 -23.043 798 HE ARG 108 HE ARG 108 10.022 -12.227 -22.588 799 HH11 ARG 108 HH11 ARG 108 10.491 -9.713 -24.995 800 HH12 ARG 108 HH12 ARG 108 9.808 -10.654 -26.278 801 HH21 ARG 108 HH21 ARG 108 9.132 -13.440 -24.284 802 HH22 ARG 108 HH22 ARG 108 9.039 -12.762 -25.874 803 H LEU 109 HN LEU 109 14.480 -9.484 -18.886 804 HA LEU 109 HA LEU 109 14.815 -6.705 -17.964 805 HB2 LEU 109 HB2 LEU 109 16.306 -9.163 -17.046 806 HB3 LEU 109 HB1 LEU 109 16.841 -7.528 -16.712 807 HG LEU 109 HG LEU 109 14.409 -7.311 -15.675 808 HD11 LEU 109 HD11 LEU 109 15.007 -10.255 -15.413 809 HD12 LEU 109 HD12 LEU 109 13.669 -9.541 -16.313 810 HD13 LEU 109 HD13 LEU 109 13.736 -9.382 -14.558 811 HD21 LEU 109 HD21 LEU 109 15.373 -7.902 -13.498 812 HD22 LEU 109 HD22 LEU 109 16.482 -6.938 -14.472 813 HD23 LEU 109 HD23 LEU 109 16.729 -8.677 -14.318 814 H GLU 110 HN GLU 110 16.647 -5.601 -18.692 815 HA GLU 110 HA GLU 110 18.155 -6.894 -20.861 816 HB2 GLU 110 HB2 GLU 110 18.147 -4.672 -22.055 817 HB3 GLU 110 HB1 GLU 110 16.603 -5.502 -22.006 818 HG2 GLU 110 HG2 GLU 110 15.862 -4.015 -20.204 819 HG3 GLU 110 HG1 GLU 110 17.418 -3.186 -20.251 820 H ASN 111 HN ASN 111 20.288 -6.247 -21.161 821 HA ASN 111 HA ASN 111 21.467 -4.799 -18.882 822 HB2 ASN 111 HB2 ASN 111 22.592 -6.986 -20.637 823 HB3 ASN 111 HB1 ASN 111 23.586 -6.037 -19.536 824 HD21 ASN 111 HD21 ASN 111 23.336 -6.298 -17.317 825 HD22 ASN 111 HD22 ASN 111 22.525 -7.665 -16.641 826 H THR 112 HN THR 112 23.020 -3.234 -19.224 827 HA THR 112 HA THR 112 23.104 -2.128 -21.948 828 HB THR 112 HB THR 112 23.955 -0.036 -20.768 829 HG1 THR 112 HG1 THR 112 22.787 -1.131 -18.441 830 HG21 THR 112 HG21 THR 112 21.710 0.670 -20.079 831 HG22 THR 112 HG22 THR 112 21.175 -1.010 -20.095 832 HG23 THR 112 HG23 THR 112 21.662 -0.226 -21.597 833 H GLN 113 HN GLN 113 25.198 -2.753 -19.135 834 HA GLN 113 HA GLN 113 27.407 -3.177 -18.878 835 HB2 GLN 113 HB2 GLN 113 27.196 -3.947 -21.791 836 HB3 GLN 113 HB1 GLN 113 28.677 -4.124 -20.863 837 HG2 GLN 113 HG2 GLN 113 26.108 -5.376 -19.958 838 HG3 GLN 113 HG1 GLN 113 27.159 -6.167 -21.130 839 HE21 GLN 113 HE21 GLN 113 26.800 -5.134 -17.833 840 HE22 GLN 113 HE22 GLN 113 28.126 -6.036 -17.191 841 H PHE 114 HN PHE 114 29.031 -1.838 -18.563 842 HA PHE 114 HA PHE 114 30.462 -0.087 -18.683 843 HB2 PHE 114 HB2 PHE 114 30.058 -0.439 -21.658 844 HB3 PHE 114 HB1 PHE 114 31.210 0.695 -20.963 845 HD1 PHE 114 HD2 PHE 114 33.217 -0.096 -19.850 846 HD2 PHE 114 HD1 PHE 114 30.444 -2.815 -21.589 847 HE1 PHE 114 HE2 PHE 114 34.899 -1.887 -19.722 848 HE2 PHE 114 HE1 PHE 114 32.120 -4.612 -21.462 849 HZ PHE 114 HZ PHE 114 34.352 -4.149 -20.528 850 H ASP 115 HN ASP 115 30.178 1.949 -18.135 851 HA ASP 115 HA ASP 115 27.957 3.456 -19.358 852 HB2 ASP 115 HB2 ASP 115 28.976 3.474 -16.514 853 HB3 ASP 115 HB1 ASP 115 27.901 4.714 -17.153 854 H ALA 116 HN ALA 116 28.395 5.365 -20.256 855 HA ALA 116 HA ALA 116 29.484 7.180 -21.067 856 HB1 ALA 116 HB1 ALA 116 29.563 7.873 -18.711 857 HB2 ALA 116 HB2 ALA 116 30.960 8.446 -19.621 858 HB3 ALA 116 HB3 ALA 116 31.122 7.065 -18.536 859 H ALA 117 HN ALA 117 30.818 7.262 -22.719 860 HA ALA 117 HA ALA 117 33.147 5.472 -22.767 861 HB1 ALA 117 HB1 ALA 117 31.739 6.830 -25.064 862 HB2 ALA 117 HB2 ALA 117 31.499 5.160 -24.552 863 HB3 ALA 117 HB3 ALA 117 33.061 5.670 -25.192 864 H ASN 118 HN ASN 118 32.189 8.823 -23.463 865 HA ASN 118 HA ASN 118 35.007 9.625 -23.172 866 HB2 ASN 118 HB2 ASN 118 33.959 9.661 -25.579 867 HB3 ASN 118 HB1 ASN 118 33.167 11.126 -25.008 868 HD21 ASN 118 HD21 ASN 118 34.407 12.942 -24.538 869 HD22 ASN 118 HD22 ASN 118 36.033 13.113 -25.098 870 H GLY 119 HN GLY 119 35.392 11.403 -21.943 871 HA2 GLY 119 HA2 GLY 119 34.811 13.478 -20.923 872 HA3 GLY 119 HA1 GLY 119 33.117 13.024 -21.030 873 H ILE 120 HN ILE 120 36.087 12.673 -19.243 874 HA ILE 120 HA ILE 120 34.580 11.449 -17.032 875 HB ILE 120 HB ILE 120 36.272 9.912 -18.003 876 HG12 ILE 120 HG12 ILE 120 37.596 9.602 -15.729 877 HG13 ILE 120 HG11 ILE 120 36.440 10.800 -15.155 878 HG21 ILE 120 HG21 ILE 120 38.317 11.914 -17.062 879 HG22 ILE 120 HG22 ILE 120 37.963 11.475 -18.733 880 HG23 ILE 120 HG23 ILE 120 38.668 10.285 -17.639 881 HD11 ILE 120 HD11 ILE 120 35.760 8.145 -16.404 882 HD12 ILE 120 HD12 ILE 120 34.600 9.343 -15.829 883 HD13 ILE 120 HD13 ILE 120 35.680 8.543 -14.687 884 H ASP 121 HN ASP 121 34.504 12.506 -15.158 885 HA ASP 121 HA ASP 121 36.417 14.678 -14.638 886 HB2 ASP 121 HB2 ASP 121 33.406 14.845 -14.451 887 HB3 ASP 121 HB1 ASP 121 34.478 16.000 -13.667 888 H ASP 122 HN ASP 122 33.955 12.505 -13.299 889 HA ASP 122 HA ASP 122 35.084 12.834 -10.613 890 HB2 ASP 122 HB2 ASP 122 32.517 11.583 -11.597 891 HB3 ASP 122 HB1 ASP 122 33.066 11.453 -9.929 892 H GLU 123 HN GLU 123 35.732 11.060 -9.358 893 HA GLU 123 HA GLU 123 36.710 8.789 -10.933 894 HB2 GLU 123 HB2 GLU 123 37.526 9.919 -8.258 895 HB3 GLU 123 HB1 GLU 123 38.092 8.355 -8.825 896 HG2 GLU 123 HG2 GLU 123 39.107 9.422 -10.772 897 HG3 GLU 123 HG1 GLU 123 38.536 10.992 -10.208 Start of MODEL 16 1 H TYR 1 HT1 TYR 1 -8.811 -12.008 -6.753 2 HA TYR 1 HA TYR 1 -10.199 -13.956 -6.846 3 HB2 TYR 1 HB2 TYR 1 -10.852 -13.181 -3.997 4 HB3 TYR 1 HB1 TYR 1 -11.808 -14.323 -4.937 5 HD1 TYR 1 HD2 TYR 1 -8.643 -13.777 -3.179 6 HD2 TYR 1 HD1 TYR 1 -10.949 -16.540 -5.449 7 HE1 TYR 1 HE2 TYR 1 -7.146 -15.596 -2.474 8 HE2 TYR 1 HE1 TYR 1 -9.459 -18.367 -4.751 9 HH TYR 1 HH TYR 1 -7.204 -18.041 -2.235 10 H LEU 2 HN LEU 2 -12.064 -13.645 -7.925 11 HA LEU 2 HA LEU 2 -13.207 -10.944 -7.865 12 HB2 LEU 2 HB2 LEU 2 -12.314 -12.121 -10.000 13 HB3 LEU 2 HB1 LEU 2 -13.810 -13.030 -9.943 14 HG LEU 2 HG LEU 2 -14.899 -10.625 -9.850 15 HD11 LEU 2 HD11 LEU 2 -13.652 -9.010 -11.201 16 HD12 LEU 2 HD12 LEU 2 -12.268 -10.102 -11.231 17 HD13 LEU 2 HD13 LEU 2 -12.802 -9.396 -9.705 18 HD21 LEU 2 HD21 LEU 2 -15.077 -10.678 -12.295 19 HD22 LEU 2 HD22 LEU 2 -15.303 -12.275 -11.584 20 HD23 LEU 2 HD23 LEU 2 -13.773 -11.863 -12.358 21 H ARG 3 HN ARG 3 -14.191 -14.367 -7.862 22 HA ARG 3 HA ARG 3 -16.966 -13.930 -7.545 23 HB2 ARG 3 HB2 ARG 3 -15.194 -16.305 -7.029 24 HB3 ARG 3 HB1 ARG 3 -16.919 -16.353 -6.697 25 HG2 ARG 3 HG2 ARG 3 -17.381 -15.836 -9.045 26 HG3 ARG 3 HG1 ARG 3 -15.648 -15.808 -9.372 27 HD2 ARG 3 HD2 ARG 3 -15.480 -18.150 -8.691 28 HD3 ARG 3 HD1 ARG 3 -17.211 -18.178 -8.351 29 HE ARG 3 HE ARG 3 -16.743 -17.362 -11.020 30 HH11 ARG 3 HH11 ARG 3 -16.700 -20.250 -9.021 31 HH12 ARG 3 HH12 ARG 3 -17.028 -21.313 -10.349 32 HH21 ARG 3 HH21 ARG 3 -17.171 -18.772 -12.743 33 HH22 ARG 3 HH22 ARG 3 -17.293 -20.475 -12.454 34 H LEU 4 HN LEU 4 -14.379 -14.458 -5.186 35 HA LEU 4 HA LEU 4 -16.281 -14.137 -2.979 36 HB2 LEU 4 HB2 LEU 4 -13.405 -15.046 -3.043 37 HB3 LEU 4 HB1 LEU 4 -14.297 -14.777 -1.559 38 HG LEU 4 HG LEU 4 -15.986 -16.496 -2.670 39 HD11 LEU 4 HD11 LEU 4 -13.336 -17.247 -3.898 40 HD12 LEU 4 HD12 LEU 4 -14.765 -16.695 -4.771 41 HD13 LEU 4 HD13 LEU 4 -14.798 -18.234 -3.909 42 HD21 LEU 4 HD21 LEU 4 -14.895 -16.791 -0.523 43 HD22 LEU 4 HD22 LEU 4 -13.400 -17.267 -1.327 44 HD23 LEU 4 HD23 LEU 4 -14.833 -18.287 -1.455 45 H PHE 5 HN PHE 5 -16.050 -12.564 -1.402 46 HA PHE 5 HA PHE 5 -14.387 -10.259 -2.172 47 HB2 PHE 5 HB2 PHE 5 -16.977 -10.407 -0.623 48 HB3 PHE 5 HB1 PHE 5 -16.004 -8.946 -0.734 49 HD1 PHE 5 HD2 PHE 5 -15.860 -7.698 -2.802 50 HD2 PHE 5 HD1 PHE 5 -18.213 -11.234 -2.530 51 HE1 PHE 5 HE2 PHE 5 -16.985 -7.107 -4.909 52 HE2 PHE 5 HE1 PHE 5 -19.342 -10.650 -4.636 53 HZ PHE 5 HZ PHE 5 -18.728 -8.584 -5.829 54 H GLY 6 HN GLY 6 -13.155 -9.182 -0.645 55 HA2 GLY 6 HA2 GLY 6 -12.687 -8.882 1.791 56 HA3 GLY 6 HA1 GLY 6 -12.742 -10.635 1.898 57 H GLN 7 HN GLN 7 -10.585 -8.798 2.606 58 HA GLN 7 HA GLN 7 -8.513 -9.525 0.655 59 HB2 GLN 7 HB2 GLN 7 -8.706 -7.377 2.742 60 HB3 GLN 7 HB1 GLN 7 -7.134 -7.882 2.136 61 HG2 GLN 7 HG2 GLN 7 -7.672 -6.044 0.824 62 HG3 GLN 7 HG1 GLN 7 -8.108 -7.412 -0.196 63 HE21 GLN 7 HE21 GLN 7 -9.290 -4.767 1.722 64 HE22 GLN 7 HE22 GLN 7 -10.917 -4.804 1.142 65 H ASP 8 HN ASP 8 -6.553 -10.412 1.319 66 HA ASP 8 HA ASP 8 -6.727 -12.061 3.740 67 HB2 ASP 8 HB2 ASP 8 -5.056 -12.273 1.236 68 HB3 ASP 8 HB1 ASP 8 -4.794 -13.293 2.647 69 H GLY 9 HN GLY 9 -5.292 -9.241 2.611 70 HA2 GLY 9 HA2 GLY 9 -2.822 -9.485 4.134 71 HA3 GLY 9 HA1 GLY 9 -3.287 -8.139 3.107 72 H LEU 10 HN LEU 10 -3.813 -9.670 6.219 73 HA LEU 10 HA LEU 10 -5.359 -7.597 7.397 74 HB2 LEU 10 HB2 LEU 10 -3.754 -9.867 8.546 75 HB3 LEU 10 HB1 LEU 10 -4.593 -8.719 9.569 76 HG LEU 10 HG LEU 10 -6.600 -9.485 7.896 77 HD11 LEU 10 HD11 LEU 10 -6.514 -11.912 7.702 78 HD12 LEU 10 HD12 LEU 10 -4.879 -11.916 8.359 79 HD13 LEU 10 HD13 LEU 10 -5.200 -11.157 6.800 80 HD21 LEU 10 HD21 LEU 10 -6.815 -9.319 10.274 81 HD22 LEU 10 HD22 LEU 10 -5.720 -10.681 10.516 82 HD23 LEU 10 HD23 LEU 10 -7.303 -10.946 9.788 83 H CYS 11 HN CYS 11 -4.701 -6.219 9.211 84 HA CYS 11 HA CYS 11 -2.240 -4.835 8.612 85 HB2 CYS 11 HB2 CYS 11 -4.400 -3.689 9.166 86 HB3 CYS 11 HB1 CYS 11 -4.222 -4.270 10.817 87 H ALA 12 HN ALA 12 -0.418 -5.593 9.332 88 HA ALA 12 HA ALA 12 -0.062 -7.351 11.513 89 HB1 ALA 12 HB1 ALA 12 1.954 -5.714 9.997 90 HB2 ALA 12 HB2 ALA 12 1.445 -7.366 9.646 91 HB3 ALA 12 HB3 ALA 12 2.345 -7.014 11.122 92 H SER 13 HN SER 13 -0.435 -3.951 11.574 93 HA SER 13 HA SER 13 1.162 -3.622 13.994 94 HB2 SER 13 HB2 SER 13 0.475 -1.198 13.789 95 HB3 SER 13 HB1 SER 13 1.434 -1.830 12.452 96 HG SER 13 HG SER 13 -1.336 -2.013 12.237 97 H CYS 14 HN CYS 14 -2.252 -3.112 13.014 98 HA CYS 14 HA CYS 14 -2.970 -3.017 15.856 99 HB2 CYS 14 HB2 CYS 14 -4.985 -1.929 15.247 100 HB3 CYS 14 HB1 CYS 14 -3.727 -1.196 14.263 101 H ASP 15 HN ASP 15 -2.534 -5.378 13.752 102 HA ASP 15 HA ASP 15 -3.394 -7.418 13.226 103 HB2 ASP 15 HB2 ASP 15 -3.890 -8.833 15.191 104 HB3 ASP 15 HB1 ASP 15 -2.445 -7.860 15.412 105 H LYS 16 HN LYS 16 -5.193 -5.630 12.371 106 HA LYS 16 HA LYS 16 -7.795 -6.861 13.013 107 HB2 LYS 16 HB2 LYS 16 -7.266 -4.306 13.557 108 HB3 LYS 16 HB1 LYS 16 -7.663 -4.113 11.861 109 HG2 LYS 16 HG2 LYS 16 -9.707 -3.747 12.810 110 HG3 LYS 16 HG1 LYS 16 -9.799 -5.484 12.514 111 HD2 LYS 16 HD2 LYS 16 -9.131 -5.912 14.836 112 HD3 LYS 16 HD1 LYS 16 -9.040 -4.173 15.128 113 HE2 LYS 16 HE2 LYS 16 -11.427 -3.968 14.625 114 HE3 LYS 16 HE1 LYS 16 -11.515 -5.703 14.330 115 HZ1 LYS 16 HZ1 LYS 16 -10.886 -6.088 16.632 116 HZ2 LYS 16 HZ2 LYS 16 -12.286 -5.144 16.547 117 HZ3 LYS 16 HZ3 LYS 16 -10.801 -4.423 16.913 118 H ARG 17 HN ARG 17 -9.257 -7.147 11.280 119 HA ARG 17 HA ARG 17 -8.107 -8.026 8.858 120 HB2 ARG 17 HB2 ARG 17 -11.013 -7.464 9.486 121 HB3 ARG 17 HB1 ARG 17 -10.430 -8.379 8.105 122 HG2 ARG 17 HG2 ARG 17 -9.337 -9.916 9.855 123 HG3 ARG 17 HG1 ARG 17 -10.425 -9.137 11.000 124 HD2 ARG 17 HD2 ARG 17 -12.342 -9.797 9.646 125 HD3 ARG 17 HD1 ARG 17 -11.265 -10.550 8.471 126 HE ARG 17 HE ARG 17 -10.931 -11.581 11.126 127 HH11 ARG 17 HH11 ARG 17 -12.846 -11.902 8.198 128 HH12 ARG 17 HH12 ARG 17 -13.301 -13.538 8.538 129 HH21 ARG 17 HH21 ARG 17 -11.540 -13.724 11.550 130 HH22 ARG 17 HH22 ARG 17 -12.563 -14.567 10.434 131 H ILE 18 HN ILE 18 -7.520 -6.938 7.106 132 HA ILE 18 HA ILE 18 -8.304 -4.159 6.768 133 HB ILE 18 HB ILE 18 -6.275 -5.937 5.407 134 HG12 ILE 18 HG12 ILE 18 -6.090 -3.318 6.921 135 HG13 ILE 18 HG11 ILE 18 -5.676 -4.903 7.559 136 HG21 ILE 18 HG21 ILE 18 -5.811 -4.449 3.700 137 HG22 ILE 18 HG22 ILE 18 -6.574 -3.093 4.529 138 HG23 ILE 18 HG23 ILE 18 -7.571 -4.342 3.781 139 HD11 ILE 18 HD11 ILE 18 -3.700 -3.572 6.976 140 HD12 ILE 18 HD12 ILE 18 -4.232 -3.533 5.296 141 HD13 ILE 18 HD13 ILE 18 -3.799 -5.069 6.047 142 H ARG 19 HN ARG 19 -10.352 -4.014 6.101 143 HA ARG 19 HA ARG 19 -11.054 -5.025 3.463 144 HB2 ARG 19 HB2 ARG 19 -11.760 -6.636 5.466 145 HB3 ARG 19 HB1 ARG 19 -13.097 -5.506 5.594 146 HG2 ARG 19 HG2 ARG 19 -12.521 -6.597 2.897 147 HG3 ARG 19 HG1 ARG 19 -13.200 -7.703 4.089 148 HD2 ARG 19 HD2 ARG 19 -15.049 -6.141 4.473 149 HD3 ARG 19 HD1 ARG 19 -14.372 -5.047 3.267 150 HE ARG 19 HE ARG 19 -14.693 -7.469 1.993 151 HH11 ARG 19 HH11 ARG 19 -16.828 -5.180 3.585 152 HH12 ARG 19 HH12 ARG 19 -18.191 -5.592 2.599 153 HH21 ARG 19 HH21 ARG 19 -16.491 -7.993 0.716 154 HH22 ARG 19 HH22 ARG 19 -17.999 -7.184 0.977 155 H ALA 20 HN ALA 20 -12.935 -4.045 2.546 156 HA ALA 20 HA ALA 20 -14.231 -2.317 1.913 157 HB1 ALA 20 HB1 ALA 20 -14.770 -1.968 4.856 158 HB2 ALA 20 HB2 ALA 20 -15.582 -3.115 3.792 159 HB3 ALA 20 HB3 ALA 20 -15.767 -1.382 3.524 160 H TYR 21 HN TYR 21 -12.935 -0.874 4.939 161 HA TYR 21 HA TYR 21 -12.679 1.702 3.776 162 HB2 TYR 21 HB2 TYR 21 -12.909 0.941 6.288 163 HB3 TYR 21 HB1 TYR 21 -11.150 0.936 6.234 164 HD1 TYR 21 HD2 TYR 21 -14.159 3.046 5.980 165 HD2 TYR 21 HD1 TYR 21 -9.908 2.991 6.163 166 HE1 TYR 21 HE2 TYR 21 -14.152 5.470 6.391 167 HE2 TYR 21 HE1 TYR 21 -9.890 5.415 6.578 168 HH TYR 21 HH TYR 21 -12.683 7.163 7.392 169 H GLU 22 HN GLU 22 -10.105 -0.459 4.999 170 HA GLU 22 HA GLU 22 -7.836 -0.368 4.694 171 HB2 GLU 22 HB2 GLU 22 -7.295 -1.150 2.281 172 HB3 GLU 22 HB1 GLU 22 -8.236 -2.180 3.341 173 HG2 GLU 22 HG2 GLU 22 -9.646 -2.374 1.629 174 HG3 GLU 22 HG1 GLU 22 -10.177 -0.746 2.041 175 H MET 23 HN MET 23 -8.484 0.954 1.444 176 HA MET 23 HA MET 23 -7.534 2.660 0.278 177 HB2 MET 23 HB2 MET 23 -8.173 3.996 2.900 178 HB3 MET 23 HB1 MET 23 -7.503 4.897 1.548 179 HG2 MET 23 HG2 MET 23 -9.411 4.244 0.169 180 HG3 MET 23 HG1 MET 23 -10.081 3.343 1.527 181 HE1 MET 23 HE1 MET 23 -12.375 4.665 1.251 182 HE2 MET 23 HE2 MET 23 -11.697 5.572 -0.100 183 HE3 MET 23 HE3 MET 23 -12.490 6.424 1.224 184 H THR 24 HN THR 24 -5.645 0.901 1.422 185 HA THR 24 HA THR 24 -3.347 2.699 1.808 186 HB THR 24 HB THR 24 -3.740 1.604 3.899 187 HG1 THR 24 HG1 THR 24 -1.629 1.657 3.841 188 HG21 THR 24 HG21 THR 24 -3.659 -0.831 4.214 189 HG22 THR 24 HG22 THR 24 -3.571 -1.041 2.466 190 HG23 THR 24 HG23 THR 24 -5.019 -0.351 3.198 191 H MET 25 HN MET 25 -1.219 1.428 1.379 192 HA MET 25 HA MET 25 -1.562 0.177 -1.213 193 HB2 MET 25 HB2 MET 25 0.869 0.696 -1.571 194 HB3 MET 25 HB1 MET 25 -0.152 2.106 -1.358 195 HG2 MET 25 HG2 MET 25 1.766 2.584 -0.125 196 HG3 MET 25 HG1 MET 25 0.596 2.066 1.086 197 HE1 MET 25 HE1 MET 25 3.944 0.720 2.572 198 HE2 MET 25 HE2 MET 25 2.450 1.587 2.923 199 HE3 MET 25 HE3 MET 25 3.609 2.257 1.778 200 H ARG 26 HN ARG 26 -0.009 -1.575 -1.824 201 HA ARG 26 HA ARG 26 0.070 -3.544 0.310 202 HB2 ARG 26 HB2 ARG 26 0.713 -5.136 -1.525 203 HB3 ARG 26 HB1 ARG 26 -0.860 -4.382 -1.703 204 HG2 ARG 26 HG2 ARG 26 0.054 -2.844 -3.368 205 HG3 ARG 26 HG1 ARG 26 1.650 -3.574 -3.172 206 HD2 ARG 26 HD2 ARG 26 0.772 -4.613 -5.074 207 HD3 ARG 26 HD1 ARG 26 0.515 -5.778 -3.777 208 HE ARG 26 HE ARG 26 -1.760 -4.128 -4.059 209 HH11 ARG 26 HH11 ARG 26 -0.140 -6.788 -5.683 210 HH12 ARG 26 HH12 ARG 26 -1.596 -7.383 -6.409 211 HH21 ARG 26 HH21 ARG 26 -3.652 -4.923 -5.021 212 HH22 ARG 26 HH22 ARG 26 -3.582 -6.325 -6.034 213 H VAL 27 HN VAL 27 1.771 -3.864 1.522 214 HA VAL 27 HA VAL 27 4.386 -2.849 0.727 215 HB VAL 27 HB VAL 27 3.854 -4.205 3.378 216 HG11 VAL 27 HG11 VAL 27 5.762 -2.097 2.403 217 HG12 VAL 27 HG12 VAL 27 6.118 -3.645 3.170 218 HG13 VAL 27 HG13 VAL 27 5.435 -2.327 4.120 219 HG21 VAL 27 HG21 VAL 27 2.028 -2.695 3.299 220 HG22 VAL 27 HG22 VAL 27 3.022 -1.416 2.607 221 HG23 VAL 27 HG23 VAL 27 3.272 -1.918 4.277 222 H LYS 28 HN LYS 28 6.251 -4.457 1.719 223 HA LYS 28 HA LYS 28 6.597 -6.494 -0.101 224 HB2 LYS 28 HB2 LYS 28 7.844 -5.925 2.562 225 HB3 LYS 28 HB1 LYS 28 8.285 -7.381 1.683 226 HG2 LYS 28 HG2 LYS 28 8.386 -4.762 0.266 227 HG3 LYS 28 HG1 LYS 28 9.665 -5.173 1.409 228 HD2 LYS 28 HD2 LYS 28 10.096 -7.247 0.182 229 HD3 LYS 28 HD1 LYS 28 8.812 -6.839 -0.958 230 HE2 LYS 28 HE2 LYS 28 10.043 -4.822 -1.611 231 HE3 LYS 28 HE1 LYS 28 11.327 -5.241 -0.478 232 HZ1 LYS 28 HZ1 LYS 28 11.729 -7.263 -1.741 233 HZ2 LYS 28 HZ2 LYS 28 11.890 -5.900 -2.729 234 HZ3 LYS 28 HZ3 LYS 28 10.498 -6.856 -2.829 235 H ASP 29 HN ASP 29 6.078 -7.240 3.383 236 HA ASP 29 HA ASP 29 4.616 -9.649 2.515 237 HB2 ASP 29 HB2 ASP 29 6.548 -9.291 4.801 238 HB3 ASP 29 HB1 ASP 29 5.452 -10.663 4.695 239 H LYS 30 HN LYS 30 4.841 -7.119 4.976 240 HA LYS 30 HA LYS 30 2.245 -7.948 6.074 241 HB2 LYS 30 HB2 LYS 30 4.338 -6.084 7.207 242 HB3 LYS 30 HB1 LYS 30 2.822 -6.495 7.992 243 HG2 LYS 30 HG2 LYS 30 3.489 -8.753 8.299 244 HG3 LYS 30 HG1 LYS 30 4.890 -8.546 7.247 245 HD2 LYS 30 HD2 LYS 30 5.646 -6.770 8.946 246 HD3 LYS 30 HD1 LYS 30 4.446 -7.491 10.022 247 HE2 LYS 30 HE2 LYS 30 5.535 -9.668 9.766 248 HE3 LYS 30 HE1 LYS 30 6.732 -8.942 8.693 249 HZ1 LYS 30 HZ1 LYS 30 6.309 -8.227 11.546 250 HZ2 LYS 30 HZ2 LYS 30 7.463 -7.538 10.519 251 HZ3 LYS 30 HZ3 LYS 30 7.578 -9.171 10.945 252 H VAL 31 HN VAL 31 0.471 -6.753 5.845 253 HA VAL 31 HA VAL 31 0.680 -4.171 4.450 254 HB VAL 31 HB VAL 31 -1.882 -5.729 4.880 255 HG11 VAL 31 HG11 VAL 31 -1.115 -3.658 2.820 256 HG12 VAL 31 HG12 VAL 31 -2.147 -3.389 4.224 257 HG13 VAL 31 HG13 VAL 31 -2.675 -4.471 2.936 258 HG21 VAL 31 HG21 VAL 31 -1.608 -6.611 2.581 259 HG22 VAL 31 HG22 VAL 31 -0.400 -7.233 3.705 260 HG23 VAL 31 HG23 VAL 31 0.033 -5.965 2.558 261 H TYR 32 HN TYR 32 -0.219 -2.300 5.302 262 HA TYR 32 HA TYR 32 -1.360 -2.460 8.014 263 HB2 TYR 32 HB2 TYR 32 0.713 -0.421 7.173 264 HB3 TYR 32 HB1 TYR 32 -0.002 -0.600 8.769 265 HD1 TYR 32 HD2 TYR 32 2.326 -2.096 6.340 266 HD2 TYR 32 HD1 TYR 32 0.824 -2.233 10.312 267 HE1 TYR 32 HE2 TYR 32 4.161 -3.603 6.966 268 HE2 TYR 32 HE1 TYR 32 2.658 -3.737 10.961 269 HH TYR 32 HH TYR 32 4.202 -5.327 9.891 270 H HIS 33 HN HIS 33 -2.823 -0.857 8.577 271 HA HIS 33 HA HIS 33 -4.370 0.316 6.514 272 HB2 HIS 33 HB2 HIS 33 -4.338 0.711 9.510 273 HB3 HIS 33 HB1 HIS 33 -5.483 1.537 8.461 274 HD2 HIS 33 HD2 HIS 33 -7.113 -0.442 6.920 275 HE1 HIS 33 HE1 HIS 33 -6.860 -3.245 10.103 276 HE2 HIS 33 HE2 HIS 33 -8.115 -2.556 8.026 277 H LEU 34 HN LEU 34 -4.912 2.698 6.393 278 HA LEU 34 HA LEU 34 -2.578 4.228 5.912 279 HB2 LEU 34 HB2 LEU 34 -4.111 6.104 5.449 280 HB3 LEU 34 HB1 LEU 34 -4.547 4.640 4.598 281 HG LEU 34 HG LEU 34 -6.065 4.576 6.952 282 HD11 LEU 34 HD11 LEU 34 -5.466 6.960 7.262 283 HD12 LEU 34 HD12 LEU 34 -7.195 6.698 7.023 284 HD13 LEU 34 HD13 LEU 34 -6.203 7.314 5.700 285 HD21 LEU 34 HD21 LEU 34 -7.943 4.895 5.421 286 HD22 LEU 34 HD22 LEU 34 -6.751 3.780 4.752 287 HD23 LEU 34 HD23 LEU 34 -6.831 5.442 4.166 288 H GLU 35 HN GLU 35 -5.036 4.426 8.477 289 HA GLU 35 HA GLU 35 -3.853 6.548 9.935 290 HB2 GLU 35 HB2 GLU 35 -5.805 4.384 10.716 291 HB3 GLU 35 HB1 GLU 35 -5.270 5.616 11.847 292 HG2 GLU 35 HG2 GLU 35 -6.515 6.332 9.215 293 HG3 GLU 35 HG1 GLU 35 -7.489 5.974 10.638 294 H CYS 36 HN CYS 36 -3.273 3.126 9.837 295 HA CYS 36 HA CYS 36 -1.692 3.050 12.265 296 HB2 CYS 36 HB2 CYS 36 -1.996 0.886 10.180 297 HB3 CYS 36 HB1 CYS 36 -1.486 0.694 11.853 298 H PHE 37 HN PHE 37 -1.137 3.984 9.100 299 HA PHE 37 HA PHE 37 1.634 3.094 8.962 300 HB2 PHE 37 HB2 PHE 37 -0.034 3.161 6.988 301 HB3 PHE 37 HB1 PHE 37 0.238 4.897 6.980 302 HD1 PHE 37 HD2 PHE 37 2.028 1.643 6.737 303 HD2 PHE 37 HD1 PHE 37 2.023 5.797 5.793 304 HE1 PHE 37 HE2 PHE 37 4.009 1.320 5.318 305 HE2 PHE 37 HE1 PHE 37 4.005 5.478 4.376 306 HZ PHE 37 HZ PHE 37 5.001 3.238 4.135 307 H LYS 38 HN LYS 38 1.824 4.402 11.054 308 HA LYS 38 HA LYS 38 2.640 7.170 10.441 309 HB2 LYS 38 HB2 LYS 38 1.447 6.069 12.994 310 HB3 LYS 38 HB1 LYS 38 2.154 7.671 12.857 311 HG2 LYS 38 HG2 LYS 38 0.476 8.164 11.068 312 HG3 LYS 38 HG1 LYS 38 -0.292 6.625 11.453 313 HD2 LYS 38 HD2 LYS 38 -0.636 7.374 13.759 314 HD3 LYS 38 HD1 LYS 38 0.130 8.916 13.371 315 HE2 LYS 38 HE2 LYS 38 -1.626 9.371 11.727 316 HE3 LYS 38 HE1 LYS 38 -2.388 7.828 12.114 317 HZ1 LYS 38 HZ1 LYS 38 -3.467 9.658 13.259 318 HZ2 LYS 38 HZ2 LYS 38 -2.010 10.091 14.001 319 HZ3 LYS 38 HZ3 LYS 38 -2.741 8.612 14.373 320 H CYS 39 HN CYS 39 4.348 8.023 11.964 321 HA CYS 39 HA CYS 39 6.617 6.333 11.952 322 HB2 CYS 39 HB2 CYS 39 6.776 8.803 11.778 323 HB3 CYS 39 HB1 CYS 39 6.264 8.935 13.458 324 H ALA 40 HN ALA 40 7.791 5.400 13.612 325 HA ALA 40 HA ALA 40 6.239 4.664 15.977 326 HB1 ALA 40 HB1 ALA 40 7.869 2.913 16.296 327 HB2 ALA 40 HB2 ALA 40 8.904 3.601 15.045 328 HB3 ALA 40 HB3 ALA 40 7.339 2.912 14.615 329 H ALA 41 HN ALA 41 8.454 6.977 15.110 330 HA ALA 41 HA ALA 41 9.609 7.199 17.806 331 HB1 ALA 41 HB1 ALA 41 10.593 8.445 15.243 332 HB2 ALA 41 HB2 ALA 41 11.210 6.944 15.936 333 HB3 ALA 41 HB3 ALA 41 11.406 8.466 16.809 334 H CYS 42 HN CYS 42 7.943 8.995 15.245 335 HA CYS 42 HA CYS 42 7.510 11.237 17.118 336 HB2 CYS 42 HB2 CYS 42 7.135 11.397 14.137 337 HB3 CYS 42 HB1 CYS 42 7.340 12.715 15.284 338 H GLN 43 HN GLN 43 5.980 8.710 15.411 339 HA GLN 43 HA GLN 43 3.853 7.953 15.251 340 HB2 GLN 43 HB2 GLN 43 3.372 10.126 17.273 341 HB3 GLN 43 HB1 GLN 43 2.049 9.159 16.641 342 HG2 GLN 43 HG2 GLN 43 2.609 8.081 18.614 343 HG3 GLN 43 HG1 GLN 43 3.451 7.135 17.388 344 HE21 GLN 43 HE21 GLN 43 5.695 7.262 17.245 345 HE22 GLN 43 HE22 GLN 43 6.662 7.905 18.524 346 H LYS 44 HN LYS 44 4.926 10.639 13.874 347 HA LYS 44 HA LYS 44 2.636 11.987 12.892 348 HB2 LYS 44 HB2 LYS 44 5.210 12.607 12.904 349 HB3 LYS 44 HB1 LYS 44 5.170 11.874 11.308 350 HG2 LYS 44 HG2 LYS 44 3.432 13.452 10.623 351 HG3 LYS 44 HG1 LYS 44 3.470 14.186 12.228 352 HD2 LYS 44 HD2 LYS 44 5.820 14.798 11.886 353 HD3 LYS 44 HD1 LYS 44 5.774 14.070 10.281 354 HE2 LYS 44 HE2 LYS 44 3.929 16.294 11.119 355 HE3 LYS 44 HE1 LYS 44 5.505 16.587 10.386 356 HZ1 LYS 44 HZ1 LYS 44 3.278 15.056 9.149 357 HZ2 LYS 44 HZ2 LYS 44 4.790 15.334 8.443 358 HZ3 LYS 44 HZ3 LYS 44 3.743 16.629 8.738 359 H HIS 45 HN HIS 45 2.101 12.095 10.494 360 HA HIS 45 HA HIS 45 1.731 9.366 9.507 361 HB2 HIS 45 HB2 HIS 45 0.044 10.426 7.958 362 HB3 HIS 45 HB1 HIS 45 -0.335 10.559 9.669 363 HD1 HIS 45 HD1 HIS 45 0.203 12.560 6.636 364 HD2 HIS 45 HD2 HIS 45 0.046 13.222 10.734 365 HE1 HIS 45 HE1 HIS 45 -0.078 15.045 6.904 366 HE2 HIS 45 HE2 HIS 45 -0.259 15.411 9.391 367 H PHE 46 HN PHE 46 2.052 8.819 7.305 368 HA PHE 46 HA PHE 46 4.291 10.276 6.088 369 HB2 PHE 46 HB2 PHE 46 3.353 7.421 5.832 370 HB3 PHE 46 HB1 PHE 46 4.569 8.110 4.772 371 HD1 PHE 46 HD2 PHE 46 3.906 7.943 8.462 372 HD2 PHE 46 HD1 PHE 46 6.738 7.586 5.297 373 HE1 PHE 46 HE2 PHE 46 5.639 7.359 10.090 374 HE2 PHE 46 HE1 PHE 46 8.479 6.996 6.928 375 HZ PHE 46 HZ PHE 46 7.934 6.883 9.329 376 H SER 47 HN SER 47 4.379 10.467 3.777 377 HA SER 47 HA SER 47 1.727 10.671 2.510 378 HB2 SER 47 HB2 SER 47 4.100 12.518 2.152 379 HB3 SER 47 HB1 SER 47 2.578 12.634 1.269 380 HG SER 47 HG SER 47 2.204 12.533 3.962 381 H VAL 48 HN VAL 48 1.621 10.327 0.246 382 HA VAL 48 HA VAL 48 3.208 8.189 -0.710 383 HB VAL 48 HB VAL 48 2.047 8.642 -2.939 384 HG11 VAL 48 HG11 VAL 48 0.383 8.155 -0.476 385 HG12 VAL 48 HG12 VAL 48 1.287 6.949 -1.391 386 HG13 VAL 48 HG13 VAL 48 -0.095 7.761 -2.127 387 HG21 VAL 48 HG21 VAL 48 1.523 11.011 -2.643 388 HG22 VAL 48 HG22 VAL 48 0.497 10.624 -1.261 389 HG23 VAL 48 HG23 VAL 48 0.047 10.072 -2.875 390 H GLY 49 HN GLY 49 5.039 8.111 -1.830 391 HA2 GLY 49 HA2 GLY 49 6.445 8.904 -3.633 392 HA3 GLY 49 HA1 GLY 49 5.973 10.543 -3.216 393 H ASP 50 HN ASP 50 6.353 9.589 -0.274 394 HA ASP 50 HA ASP 50 9.174 10.338 -0.146 395 HB2 ASP 50 HB2 ASP 50 6.997 10.194 1.943 396 HB3 ASP 50 HB1 ASP 50 8.680 10.523 2.340 397 H ARG 51 HN ARG 51 10.686 9.206 1.179 398 HA ARG 51 HA ARG 51 10.383 6.329 1.044 399 HB2 ARG 51 HB2 ARG 51 12.706 8.072 1.875 400 HB3 ARG 51 HB1 ARG 51 12.764 6.317 1.819 401 HG2 ARG 51 HG2 ARG 51 12.153 6.499 -0.623 402 HG3 ARG 51 HG1 ARG 51 12.450 8.231 -0.473 403 HD2 ARG 51 HD2 ARG 51 14.736 7.790 0.245 404 HD3 ARG 51 HD1 ARG 51 14.446 6.053 0.142 405 HE ARG 51 HE ARG 51 13.904 7.358 -2.330 406 HH11 ARG 51 HH11 ARG 51 16.555 6.152 -0.367 407 HH12 ARG 51 HH12 ARG 51 17.604 5.917 -1.726 408 HH21 ARG 51 HH21 ARG 51 15.293 7.041 -4.092 409 HH22 ARG 51 HH22 ARG 51 16.889 6.422 -3.832 410 H TYR 52 HN TYR 52 10.149 4.934 2.713 411 HA TYR 52 HA TYR 52 10.101 6.064 5.430 412 HB2 TYR 52 HB2 TYR 52 8.171 4.784 5.997 413 HB3 TYR 52 HB1 TYR 52 7.808 5.620 4.499 414 HD1 TYR 52 HD2 TYR 52 7.667 4.354 2.379 415 HD2 TYR 52 HD1 TYR 52 8.226 2.348 6.108 416 HE1 TYR 52 HE2 TYR 52 6.979 2.234 1.343 417 HE2 TYR 52 HE1 TYR 52 7.532 0.234 5.069 418 HH TYR 52 HH TYR 52 6.215 -0.532 3.142 419 H LEU 53 HN LEU 53 10.342 4.457 7.163 420 HA LEU 53 HA LEU 53 12.184 2.306 6.377 421 HB2 LEU 53 HB2 LEU 53 13.286 4.017 7.679 422 HB3 LEU 53 HB1 LEU 53 12.036 3.957 8.900 423 HG LEU 53 HG LEU 53 12.832 1.467 9.182 424 HD11 LEU 53 HD11 LEU 53 15.218 1.171 8.793 425 HD12 LEU 53 HD12 LEU 53 15.301 2.754 8.024 426 HD13 LEU 53 HD13 LEU 53 14.362 1.463 7.279 427 HD21 LEU 53 HD21 LEU 53 14.209 2.137 10.978 428 HD22 LEU 53 HD22 LEU 53 12.971 3.385 10.816 429 HD23 LEU 53 HD23 LEU 53 14.602 3.668 10.204 430 H LEU 54 HN LEU 54 11.815 0.287 7.059 431 HA LEU 54 HA LEU 54 9.360 -0.216 8.605 432 HB2 LEU 54 HB2 LEU 54 9.595 -1.046 6.157 433 HB3 LEU 54 HB1 LEU 54 10.709 -2.228 6.811 434 HG LEU 54 HG LEU 54 7.999 -2.045 8.044 435 HD11 LEU 54 HD11 LEU 54 7.120 -3.597 6.332 436 HD12 LEU 54 HD12 LEU 54 8.571 -3.312 5.370 437 HD13 LEU 54 HD13 LEU 54 7.456 -1.986 5.697 438 HD21 LEU 54 HD21 LEU 54 8.315 -4.464 8.250 439 HD22 LEU 54 HD22 LEU 54 9.664 -3.577 8.958 440 HD23 LEU 54 HD23 LEU 54 9.843 -4.341 7.378 441 H ILE 55 HN ILE 55 9.879 -0.582 10.663 442 HA ILE 55 HA ILE 55 12.260 -2.239 11.198 443 HB ILE 55 HB ILE 55 12.244 0.281 11.858 444 HG12 ILE 55 HG12 ILE 55 13.336 -0.510 14.170 445 HG13 ILE 55 HG11 ILE 55 13.242 -2.067 13.365 446 HG21 ILE 55 HG21 ILE 55 11.210 0.978 13.788 447 HG22 ILE 55 HG22 ILE 55 11.036 -0.662 14.412 448 HG23 ILE 55 HG23 ILE 55 9.991 -0.099 13.106 449 HD11 ILE 55 HD11 ILE 55 15.393 -1.132 12.955 450 HD12 ILE 55 HD12 ILE 55 14.685 0.387 12.409 451 HD13 ILE 55 HD13 ILE 55 14.476 -1.078 11.449 452 H ASN 56 HN ASN 56 12.087 -3.171 13.566 453 HA ASN 56 HA ASN 56 10.163 -5.154 13.685 454 HB2 ASN 56 HB2 ASN 56 11.375 -3.944 16.172 455 HB3 ASN 56 HB1 ASN 56 10.921 -5.618 15.891 456 HD21 ASN 56 HD21 ASN 56 13.214 -3.108 15.105 457 HD22 ASN 56 HD22 ASN 56 14.491 -4.151 14.602 458 H SER 57 HN SER 57 10.123 -1.938 15.082 459 HA SER 57 HA SER 57 7.322 -2.294 15.882 460 HB2 SER 57 HB2 SER 57 9.368 -0.307 16.910 461 HB3 SER 57 HB1 SER 57 7.686 -0.400 17.434 462 HG SER 57 HG SER 57 8.094 -2.231 18.490 463 H ASP 58 HN ASP 58 6.372 -1.840 13.967 464 HA ASP 58 HA ASP 58 5.538 -0.729 12.176 465 HB2 ASP 58 HB2 ASP 58 4.760 0.472 14.447 466 HB3 ASP 58 HB1 ASP 58 5.536 1.837 13.648 467 H ILE 59 HN ILE 59 5.546 1.746 11.179 468 HA ILE 59 HA ILE 59 8.134 1.948 9.899 469 HB ILE 59 HB ILE 59 5.593 3.526 9.405 470 HG12 ILE 59 HG12 ILE 59 5.795 1.913 7.251 471 HG13 ILE 59 HG11 ILE 59 6.494 0.861 8.477 472 HG21 ILE 59 HG21 ILE 59 6.708 3.741 7.083 473 HG22 ILE 59 HG22 ILE 59 8.203 3.423 7.969 474 HG23 ILE 59 HG23 ILE 59 7.205 4.814 8.390 475 HD11 ILE 59 HD11 ILE 59 3.812 2.194 8.770 476 HD12 ILE 59 HD12 ILE 59 4.500 0.909 9.765 477 HD13 ILE 59 HD13 ILE 59 4.044 0.580 8.093 478 H VAL 60 HN VAL 60 9.637 3.466 10.262 479 HA VAL 60 HA VAL 60 8.990 5.761 11.946 480 HB VAL 60 HB VAL 60 10.698 5.164 13.211 481 HG11 VAL 60 HG11 VAL 60 11.035 2.917 11.336 482 HG12 VAL 60 HG12 VAL 60 10.297 2.940 12.936 483 HG13 VAL 60 HG13 VAL 60 12.045 3.104 12.774 484 HG21 VAL 60 HG21 VAL 60 13.077 5.038 12.335 485 HG22 VAL 60 HG22 VAL 60 12.227 6.573 12.172 486 HG23 VAL 60 HG23 VAL 60 12.382 5.503 10.780 487 H CYS 61 HN CYS 61 9.333 7.748 11.187 488 HA CYS 61 HA CYS 61 9.716 8.207 8.431 489 HB2 CYS 61 HB2 CYS 61 9.260 10.452 8.859 490 HB3 CYS 61 HB1 CYS 61 8.388 9.598 10.122 491 H GLU 62 HN GLU 62 11.232 9.642 7.412 492 HA GLU 62 HA GLU 62 13.891 8.828 7.616 493 HB2 GLU 62 HB2 GLU 62 12.446 10.057 5.728 494 HB3 GLU 62 HB1 GLU 62 13.301 11.455 6.359 495 HG2 GLU 62 HG2 GLU 62 14.789 8.984 5.545 496 HG3 GLU 62 HG1 GLU 62 14.294 10.183 4.354 497 H GLN 63 HN GLN 63 12.244 11.230 9.436 498 HA GLN 63 HA GLN 63 14.388 13.015 9.965 499 HB2 GLN 63 HB2 GLN 63 11.783 13.174 10.433 500 HB3 GLN 63 HB1 GLN 63 12.265 12.575 12.014 501 HG2 GLN 63 HG2 GLN 63 13.789 14.468 12.268 502 HG3 GLN 63 HG1 GLN 63 13.308 15.067 10.681 503 HE21 GLN 63 HE21 GLN 63 11.258 15.956 10.412 504 HE22 GLN 63 HE22 GLN 63 10.294 16.462 11.752 505 H ASP 64 HN ASP 64 13.175 10.197 11.795 506 HA ASP 64 HA ASP 64 15.612 10.292 13.445 507 HB2 ASP 64 HB2 ASP 64 13.711 8.495 14.592 508 HB3 ASP 64 HB1 ASP 64 14.337 9.994 15.261 509 H ILE 65 HN ILE 65 14.972 8.902 10.745 510 HA ILE 65 HA ILE 65 14.943 6.137 11.021 511 HB ILE 65 HB ILE 65 14.562 7.137 8.876 512 HG12 ILE 65 HG12 ILE 65 16.731 5.128 9.174 513 HG13 ILE 65 HG11 ILE 65 15.165 4.982 8.402 514 HG21 ILE 65 HG21 ILE 65 17.438 8.051 8.888 515 HG22 ILE 65 HG22 ILE 65 16.006 9.074 8.997 516 HG23 ILE 65 HG23 ILE 65 16.335 8.173 7.517 517 HD11 ILE 65 HD11 ILE 65 16.860 4.715 6.752 518 HD12 ILE 65 HD12 ILE 65 17.654 6.210 7.258 519 HD13 ILE 65 HD13 ILE 65 16.070 6.271 6.477 520 H TYR 66 HN TYR 66 17.855 8.183 10.651 521 HA TYR 66 HA TYR 66 19.760 6.151 10.825 522 HB2 TYR 66 HB2 TYR 66 20.216 8.435 9.999 523 HB3 TYR 66 HB1 TYR 66 20.045 9.058 11.635 524 HD1 TYR 66 HD1 TYR 66 21.770 8.645 13.308 525 HD2 TYR 66 HD2 TYR 66 22.216 7.250 9.314 526 HE1 TYR 66 HE1 TYR 66 24.152 8.269 13.721 527 HE2 TYR 66 HE2 TYR 66 24.616 6.871 9.713 528 HH TYR 66 HH TYR 66 26.382 7.674 11.228 529 H GLU 67 HN GLU 67 18.626 8.339 13.421 530 HA GLU 67 HA GLU 67 20.149 7.181 15.494 531 HB2 GLU 67 HB2 GLU 67 17.683 8.910 15.500 532 HB3 GLU 67 HB1 GLU 67 18.429 8.351 16.989 533 HG2 GLU 67 HG2 GLU 67 20.514 9.461 16.363 534 HG3 GLU 67 HG1 GLU 67 19.765 10.022 14.869 535 H TRP 68 HN TRP 68 16.856 6.504 14.349 536 HA TRP 68 HA TRP 68 16.059 4.811 16.473 537 HB2 TRP 68 HB2 TRP 68 14.498 5.885 14.845 538 HB3 TRP 68 HB1 TRP 68 15.064 4.765 13.611 539 HD1 TRP 68 HD1 TRP 68 14.280 2.226 13.803 540 HE1 TRP 68 HE1 TRP 68 12.343 1.103 15.067 541 HE3 TRP 68 HE3 TRP 68 13.081 6.031 17.003 542 HZ2 TRP 68 HZ2 TRP 68 10.541 1.744 17.132 543 HZ3 TRP 68 HZ3 TRP 68 11.233 5.692 18.586 544 HH2 TRP 68 HH2 TRP 68 9.995 3.591 18.646 545 H THR 69 HN THR 69 17.307 4.006 13.216 546 HA THR 69 HA THR 69 17.394 1.208 13.593 547 HB THR 69 HB THR 69 19.055 1.241 11.674 548 HG1 THR 69 HG1 THR 69 18.958 3.911 12.288 549 HG21 THR 69 HG21 THR 69 16.659 0.959 11.290 550 HG22 THR 69 HG22 THR 69 17.387 1.931 10.011 551 HG23 THR 69 HG23 THR 69 16.445 2.710 11.283 552 H LYS 70 HN LYS 70 19.573 3.757 14.410 553 HA LYS 70 HA LYS 70 21.947 2.290 14.840 554 HB2 LYS 70 HB2 LYS 70 21.400 4.880 14.696 555 HB3 LYS 70 HB1 LYS 70 21.307 4.728 16.442 556 HG2 LYS 70 HG2 LYS 70 23.570 4.074 16.601 557 HG3 LYS 70 HG1 LYS 70 23.693 3.829 14.857 558 HD2 LYS 70 HD2 LYS 70 23.347 6.227 14.498 559 HD3 LYS 70 HD1 LYS 70 23.223 6.472 16.239 560 HE2 LYS 70 HE2 LYS 70 25.422 7.086 15.616 561 HE3 LYS 70 HE1 LYS 70 25.543 5.528 16.432 562 HZ1 LYS 70 HZ1 LYS 70 26.914 5.595 14.445 563 HZ2 LYS 70 HZ2 LYS 70 25.564 5.947 13.490 564 HZ3 LYS 70 HZ3 LYS 70 25.680 4.451 14.269 565 H ILE 71 HN ILE 71 19.284 3.195 17.006 566 HA ILE 71 HA ILE 71 20.525 1.936 19.312 567 HB ILE 71 HB ILE 71 17.726 3.068 19.206 568 HG12 ILE 71 HG12 ILE 71 19.155 4.876 18.456 569 HG13 ILE 71 HG11 ILE 71 18.652 5.202 20.104 570 HG21 ILE 71 HG21 ILE 71 19.620 2.661 21.519 571 HG22 ILE 71 HG22 ILE 71 18.170 1.721 21.165 572 HG23 ILE 71 HG23 ILE 71 18.029 3.418 21.620 573 HD11 ILE 71 HD11 ILE 71 21.360 4.177 19.248 574 HD12 ILE 71 HD12 ILE 71 20.862 4.504 20.908 575 HD13 ILE 71 HD13 ILE 71 20.974 5.825 19.745 576 H ASN 72 HN ASN 72 17.623 1.394 17.306 577 HA ASN 72 HA ASN 72 16.885 -1.000 18.725 578 HB2 ASN 72 HB2 ASN 72 15.800 0.363 16.271 579 HB3 ASN 72 HB1 ASN 72 15.185 -1.193 16.821 580 HD21 ASN 72 HD21 ASN 72 15.190 2.198 17.304 581 HD22 ASN 72 HD22 ASN 72 14.095 2.238 18.636 582 H GLY 73 HN GLY 73 18.683 -0.290 15.803 583 HA2 GLY 73 HA2 GLY 73 18.847 -3.179 15.210 584 HA3 GLY 73 HA1 GLY 73 19.114 -1.899 14.036 585 H GLY 74 HN GLY 74 21.156 -2.257 13.394 586 HA2 GLY 74 HA2 GLY 74 23.427 -1.443 13.945 587 HA3 GLY 74 HA1 GLY 74 23.250 -2.281 15.481 588 H SER 75 HN SER 75 23.837 -4.366 15.636 589 HA SER 75 HA SER 75 24.841 -5.666 13.196 590 HB2 SER 75 HB2 SER 75 25.565 -6.159 16.095 591 HB3 SER 75 HB1 SER 75 26.250 -7.018 14.715 592 HG SER 75 HG SER 75 27.363 -5.267 14.151 593 H GLY 76 HN GLY 76 24.147 -7.647 12.584 594 HA2 GLY 76 HA2 GLY 76 23.032 -9.689 13.995 595 HA3 GLY 76 HA1 GLY 76 21.675 -8.610 13.711 596 H GLY 77 HN GLY 77 23.745 -10.993 12.390 597 HA2 GLY 77 HA2 GLY 77 23.039 -12.359 10.562 598 HA3 GLY 77 HA1 GLY 77 22.170 -10.980 9.905 599 H SER 78 HN SER 78 23.024 -10.479 8.011 600 HA SER 78 HA SER 78 25.950 -10.207 7.810 601 HB2 SER 78 HB2 SER 78 24.086 -11.285 5.679 602 HB3 SER 78 HB1 SER 78 25.810 -10.984 5.467 603 HG SER 78 HG SER 78 25.473 -13.153 5.965 604 H GLY 79 HN GLY 79 26.657 -8.312 7.066 605 HA2 GLY 79 HA2 GLY 79 26.065 -6.646 5.151 606 HA3 GLY 79 HA1 GLY 79 24.665 -6.348 6.170 607 H GLY 80 HN GLY 80 27.517 -5.097 5.336 608 HA2 GLY 80 HA2 GLY 80 28.194 -4.094 8.023 609 HA3 GLY 80 HA1 GLY 80 29.269 -4.075 6.632 610 H SER 81 HN SER 81 28.889 -2.547 4.950 611 HA SER 81 HA SER 81 27.602 -0.100 5.930 612 HB2 SER 81 HB2 SER 81 29.607 -0.500 3.695 613 HB3 SER 81 HB1 SER 81 28.958 1.056 4.215 614 HG SER 81 HG SER 81 30.111 0.955 6.029 615 H GLY 82 HN GLY 82 25.924 0.840 4.920 616 HA2 GLY 82 HA2 GLY 82 25.063 1.031 2.430 617 HA3 GLY 82 HA1 GLY 82 24.652 -0.648 2.747 618 H GLY 83 HN GLY 83 22.464 -0.499 2.691 619 HA2 GLY 83 HA2 GLY 83 20.794 -0.261 4.650 620 HA3 GLY 83 HA1 GLY 83 21.151 1.449 4.464 621 H ASP 84 HN ASP 84 19.003 -0.906 3.695 622 HA ASP 84 HA ASP 84 18.233 0.252 1.111 623 HB2 ASP 84 HB2 ASP 84 17.426 -2.303 2.506 624 HB3 ASP 84 HB1 ASP 84 16.632 -1.718 1.047 625 H VAL 85 HN VAL 85 16.368 1.340 0.807 626 HA VAL 85 HA VAL 85 14.544 1.641 3.106 627 HB VAL 85 HB VAL 85 14.974 3.915 1.180 628 HG11 VAL 85 HG11 VAL 85 14.290 5.248 3.181 629 HG12 VAL 85 HG12 VAL 85 14.003 3.728 4.028 630 HG13 VAL 85 HG13 VAL 85 13.057 4.130 2.594 631 HG21 VAL 85 HG21 VAL 85 17.208 3.420 2.025 632 HG22 VAL 85 HG22 VAL 85 16.602 3.449 3.680 633 HG23 VAL 85 HG23 VAL 85 16.601 4.924 2.715 634 H MET 86 HN MET 86 12.345 1.934 2.623 635 HA MET 86 HA MET 86 11.572 1.107 -0.101 636 HB2 MET 86 HB2 MET 86 10.187 0.632 2.546 637 HB3 MET 86 HB1 MET 86 9.478 0.248 0.985 638 HG2 MET 86 HG2 MET 86 11.179 -1.381 0.544 639 HG3 MET 86 HG1 MET 86 12.067 -0.910 1.992 640 HE1 MET 86 HE1 MET 86 10.945 -4.383 3.183 641 HE2 MET 86 HE2 MET 86 12.255 -3.205 3.102 642 HE3 MET 86 HE3 MET 86 11.604 -3.903 1.619 643 H VAL 87 HN VAL 87 9.983 2.205 -1.186 644 HA VAL 87 HA VAL 87 9.250 4.821 -0.121 645 HB VAL 87 HB VAL 87 8.586 4.002 -2.923 646 HG11 VAL 87 HG11 VAL 87 9.098 6.357 -3.373 647 HG12 VAL 87 HG12 VAL 87 9.533 6.572 -1.678 648 HG13 VAL 87 HG13 VAL 87 7.875 6.169 -2.118 649 HG21 VAL 87 HG21 VAL 87 10.809 4.672 -3.723 650 HG22 VAL 87 HG22 VAL 87 10.895 3.241 -2.696 651 HG23 VAL 87 HG23 VAL 87 11.364 4.815 -2.054 652 H VAL 88 HN VAL 88 7.146 5.504 0.125 653 HA VAL 88 HA VAL 88 5.145 3.574 0.659 654 HB VAL 88 HB VAL 88 4.557 6.506 0.196 655 HG11 VAL 88 HG11 VAL 88 2.644 4.985 0.581 656 HG12 VAL 88 HG12 VAL 88 2.822 6.197 1.849 657 HG13 VAL 88 HG13 VAL 88 3.344 4.538 2.138 658 HG21 VAL 88 HG21 VAL 88 6.536 6.340 1.656 659 HG22 VAL 88 HG22 VAL 88 5.623 5.301 2.749 660 HG23 VAL 88 HG23 VAL 88 5.127 6.974 2.506 661 H GLY 89 HN GLY 89 4.181 2.384 -0.840 662 HA2 GLY 89 HA2 GLY 89 3.961 3.028 -3.589 663 HA3 GLY 89 HA1 GLY 89 3.150 1.703 -2.774 664 H GLU 90 HN GLU 90 2.111 3.341 -4.887 665 HA GLU 90 HA GLU 90 0.293 5.288 -3.938 666 HB2 GLU 90 HB2 GLU 90 -0.826 4.988 -6.179 667 HB3 GLU 90 HB1 GLU 90 0.877 5.404 -6.231 668 HG2 GLU 90 HG2 GLU 90 1.430 3.059 -6.701 669 HG3 GLU 90 HG1 GLU 90 -0.285 2.654 -6.659 670 HA PRO 91 HA PRO 91 -2.623 2.303 -2.067 671 HB2 PRO 91 HB2 PRO 91 -4.211 4.712 -1.467 672 HB3 PRO 91 HB1 PRO 91 -3.572 3.490 -0.367 673 HG2 PRO 91 HG2 PRO 91 -2.540 5.962 -0.463 674 HG3 PRO 91 HG1 PRO 91 -1.521 4.538 -0.178 675 HD2 PRO 91 HD2 PRO 91 -1.912 6.118 -2.696 676 HD3 PRO 91 HD1 PRO 91 -0.423 5.440 -2.003 677 H THR 92 HN THR 92 -4.835 1.674 -2.408 678 HA THR 92 HA THR 92 -5.874 2.571 -5.008 679 HB THR 92 HB THR 92 -7.243 0.427 -4.888 680 HG1 THR 92 HG1 THR 92 -6.883 0.090 -2.606 681 HG21 THR 92 HG21 THR 92 -5.376 -0.988 -5.620 682 HG22 THR 92 HG22 THR 92 -4.233 0.183 -4.960 683 HG23 THR 92 HG23 THR 92 -5.269 0.629 -6.315 684 H LEU 93 HN LEU 93 -7.498 3.940 -4.956 685 HA LEU 93 HA LEU 93 -9.038 4.558 -2.666 686 HB2 LEU 93 HB2 LEU 93 -9.437 5.229 -5.579 687 HB3 LEU 93 HB1 LEU 93 -10.446 5.866 -4.297 688 HG LEU 93 HG LEU 93 -8.108 6.662 -3.323 689 HD11 LEU 93 HD11 LEU 93 -6.758 5.613 -5.060 690 HD12 LEU 93 HD12 LEU 93 -6.597 7.368 -5.112 691 HD13 LEU 93 HD13 LEU 93 -7.609 6.542 -6.296 692 HD21 LEU 93 HD21 LEU 93 -9.974 8.119 -3.854 693 HD22 LEU 93 HD22 LEU 93 -9.578 8.033 -5.571 694 HD23 LEU 93 HD23 LEU 93 -8.466 8.813 -4.447 695 H MET 94 HN MET 94 -10.987 3.903 -1.959 696 HA MET 94 HA MET 94 -12.081 1.440 -2.815 697 HB2 MET 94 HB2 MET 94 -12.205 2.787 -0.518 698 HB3 MET 94 HB1 MET 94 -13.737 3.313 -1.196 699 HG2 MET 94 HG2 MET 94 -12.912 0.445 -0.802 700 HG3 MET 94 HG1 MET 94 -13.958 1.362 0.279 701 HE1 MET 94 HE1 MET 94 -16.430 -1.155 -1.440 702 HE2 MET 94 HE2 MET 94 -15.809 -0.548 0.095 703 HE3 MET 94 HE3 MET 94 -14.753 -1.458 -0.986 704 H GLY 95 HN GLY 95 -13.117 4.797 -3.327 705 HA2 GLY 95 HA2 GLY 95 -14.114 5.309 -5.516 706 HA3 GLY 95 HA1 GLY 95 -15.036 3.821 -5.354 707 H GLY 96 HN GLY 96 -14.882 7.168 -4.657 708 HA2 GLY 96 HA2 GLY 96 -17.577 7.046 -3.489 709 HA3 GLY 96 HA1 GLY 96 -16.326 7.934 -2.634 710 H GLU 97 HN GLU 97 -16.760 10.020 -2.841 711 HA GLU 97 HA GLU 97 -17.718 11.051 -5.410 712 HB2 GLU 97 HB2 GLU 97 -18.223 13.148 -4.105 713 HB3 GLU 97 HB1 GLU 97 -19.146 11.732 -3.634 714 HG2 GLU 97 HG2 GLU 97 -17.686 11.425 -1.691 715 HG3 GLU 97 HG1 GLU 97 -16.757 12.845 -2.168 716 H PHE 98 HN PHE 98 -16.434 12.086 -6.746 717 HA PHE 98 HA PHE 98 -13.786 12.923 -5.816 718 HB2 PHE 98 HB2 PHE 98 -14.873 12.428 -8.592 719 HB3 PHE 98 HB1 PHE 98 -13.267 13.072 -8.281 720 HD1 PHE 98 HD1 PHE 98 -15.407 10.115 -8.121 721 HD2 PHE 98 HD2 PHE 98 -11.515 11.670 -7.378 722 HE1 PHE 98 HE1 PHE 98 -14.535 7.823 -7.917 723 HE2 PHE 98 HE2 PHE 98 -10.636 9.381 -7.173 724 HZ PHE 98 HZ PHE 98 -12.146 7.454 -7.443 725 H GLY 99 HN GLY 99 -14.542 14.792 -4.760 726 HA2 GLY 99 HA2 GLY 99 -15.377 16.989 -6.552 727 HA3 GLY 99 HA1 GLY 99 -15.771 16.904 -4.841 728 H ASP 100 HN ASP 100 -13.158 17.361 -7.156 729 HA ASP 100 HA ASP 100 -11.425 18.449 -5.062 730 HB2 ASP 100 HB2 ASP 100 -10.907 17.645 -7.926 731 HB3 ASP 100 HB1 ASP 100 -9.711 18.488 -6.947 732 H GLU 101 HN GLU 101 -13.855 19.712 -6.572 733 HA GLU 101 HA GLU 101 -12.650 22.093 -7.729 734 HB2 GLU 101 HB2 GLU 101 -15.495 21.143 -7.449 735 HB3 GLU 101 HB1 GLU 101 -15.103 22.755 -8.027 736 HG2 GLU 101 HG2 GLU 101 -13.836 21.784 -9.877 737 HG3 GLU 101 HG1 GLU 101 -14.232 20.168 -9.297 738 H ASP 102 HN ASP 102 -14.254 21.126 -4.775 739 HA ASP 102 HA ASP 102 -14.613 23.837 -3.819 740 HB2 ASP 102 HB2 ASP 102 -15.113 21.136 -2.573 741 HB3 ASP 102 HB1 ASP 102 -15.348 22.647 -1.699 742 H GLU 103 HN GLU 103 -12.258 21.287 -3.488 743 HA GLU 103 HA GLU 103 -10.943 22.513 -1.205 744 HB2 GLU 103 HB2 GLU 103 -10.390 20.042 -2.835 745 HB3 GLU 103 HB1 GLU 103 -9.255 20.630 -1.630 746 HG2 GLU 103 HG2 GLU 103 -10.467 19.027 -0.482 747 HG3 GLU 103 HG1 GLU 103 -11.250 20.533 -0.007 748 H ARG 104 HN ARG 104 -10.636 22.517 -4.662 749 HA ARG 104 HA ARG 104 -7.933 23.612 -4.596 750 HB2 ARG 104 HB2 ARG 104 -9.760 22.761 -6.830 751 HB3 ARG 104 HB1 ARG 104 -8.276 23.650 -7.135 752 HG2 ARG 104 HG2 ARG 104 -6.985 21.870 -6.071 753 HG3 ARG 104 HG1 ARG 104 -8.475 20.979 -5.757 754 HD2 ARG 104 HD2 ARG 104 -8.897 20.842 -8.163 755 HD3 ARG 104 HD1 ARG 104 -7.410 21.736 -8.476 756 HE ARG 104 HE ARG 104 -6.800 19.478 -6.927 757 HH11 ARG 104 HH11 ARG 104 -7.835 20.241 -10.195 758 HH12 ARG 104 HH12 ARG 104 -7.105 18.828 -10.880 759 HH21 ARG 104 HH21 ARG 104 -5.853 17.635 -7.844 760 HH22 ARG 104 HH22 ARG 104 -5.984 17.354 -9.548 761 H LEU 105 HN LEU 105 -11.230 24.628 -5.344 762 HA LEU 105 HA LEU 105 -10.344 27.322 -6.039 763 HB2 LEU 105 HB2 LEU 105 -12.199 25.939 -7.227 764 HB3 LEU 105 HB1 LEU 105 -13.209 26.441 -5.887 765 HG LEU 105 HG LEU 105 -12.389 28.853 -6.584 766 HD11 LEU 105 HD11 LEU 105 -12.128 27.303 -9.159 767 HD12 LEU 105 HD12 LEU 105 -10.820 28.110 -8.293 768 HD13 LEU 105 HD13 LEU 105 -12.123 29.060 -9.007 769 HD21 LEU 105 HD21 LEU 105 -14.368 29.046 -8.019 770 HD22 LEU 105 HD22 LEU 105 -14.703 28.119 -6.558 771 HD23 LEU 105 HD23 LEU 105 -14.475 27.288 -8.096 772 H ILE 106 HN ILE 106 -12.061 25.605 -3.505 773 HA ILE 106 HA ILE 106 -13.033 26.191 -1.546 774 HB ILE 106 HB ILE 106 -11.569 27.513 0.018 775 HG12 ILE 106 HG12 ILE 106 -9.080 27.392 -1.173 776 HG13 ILE 106 HG11 ILE 106 -10.091 28.024 -2.468 777 HG21 ILE 106 HG21 ILE 106 -10.376 25.153 -1.416 778 HG22 ILE 106 HG22 ILE 106 -11.516 25.110 -0.071 779 HG23 ILE 106 HG23 ILE 106 -9.885 25.735 0.174 780 HD11 ILE 106 HD11 ILE 106 -10.834 29.826 -1.002 781 HD12 ILE 106 HD12 ILE 106 -9.081 29.814 -1.186 782 HD13 ILE 106 HD13 ILE 106 -9.818 29.192 0.291 783 H THR 107 HN THR 107 -14.870 27.227 -1.528 784 HA THR 107 HA THR 107 -14.861 30.160 -1.826 785 HB THR 107 HB THR 107 -17.319 29.880 -2.423 786 HG1 THR 107 HG1 THR 107 -16.520 27.229 -2.198 787 HG21 THR 107 HG21 THR 107 -15.262 28.709 -4.301 788 HG22 THR 107 HG22 THR 107 -15.630 30.423 -4.104 789 HG23 THR 107 HG23 THR 107 -16.846 29.330 -4.768 790 H ARG 108 HN ARG 108 -16.402 27.451 -0.136 791 HA ARG 108 HA ARG 108 -17.183 29.303 2.022 792 HB2 ARG 108 HB2 ARG 108 -18.934 27.897 0.607 793 HB3 ARG 108 HB1 ARG 108 -18.472 26.624 1.727 794 HG2 ARG 108 HG2 ARG 108 -19.117 28.047 3.610 795 HG3 ARG 108 HG1 ARG 108 -19.586 29.320 2.482 796 HD2 ARG 108 HD2 ARG 108 -21.263 27.833 1.503 797 HD3 ARG 108 HD1 ARG 108 -20.790 26.558 2.625 798 HE ARG 108 HE ARG 108 -21.487 28.852 4.088 799 HH11 ARG 108 HH11 ARG 108 -23.039 26.382 2.131 800 HH12 ARG 108 HH12 ARG 108 -24.554 26.514 2.961 801 HH21 ARG 108 HH21 ARG 108 -23.479 29.007 5.160 802 HH22 ARG 108 HH22 ARG 108 -24.802 27.999 4.673 803 H LEU 109 HN LEU 109 -16.763 28.737 4.137 804 HA LEU 109 HA LEU 109 -14.914 26.478 4.512 805 HB2 LEU 109 HB2 LEU 109 -14.079 27.774 6.511 806 HB3 LEU 109 HB1 LEU 109 -13.695 28.449 4.942 807 HG LEU 109 HG LEU 109 -15.923 29.857 5.462 808 HD11 LEU 109 HD11 LEU 109 -14.724 29.305 8.173 809 HD12 LEU 109 HD12 LEU 109 -16.324 28.805 7.622 810 HD13 LEU 109 HD13 LEU 109 -15.953 30.518 7.814 811 HD21 LEU 109 HD21 LEU 109 -13.761 30.790 4.871 812 HD22 LEU 109 HD22 LEU 109 -13.160 30.478 6.500 813 HD23 LEU 109 HD23 LEU 109 -14.449 31.655 6.245 814 H GLU 110 HN GLU 110 -15.028 25.264 6.452 815 HA GLU 110 HA GLU 110 -17.741 25.118 7.548 816 HB2 GLU 110 HB2 GLU 110 -16.312 23.136 6.513 817 HB3 GLU 110 HB1 GLU 110 -15.654 23.064 8.141 818 HG2 GLU 110 HG2 GLU 110 -17.909 22.756 9.038 819 HG3 GLU 110 HG1 GLU 110 -18.566 22.825 7.403 820 H ASN 111 HN ASN 111 -18.187 25.755 9.544 821 HA ASN 111 HA ASN 111 -16.015 25.977 11.518 822 HB2 ASN 111 HB2 ASN 111 -16.875 28.190 10.396 823 HB3 ASN 111 HB1 ASN 111 -18.249 27.981 11.476 824 HD21 ASN 111 HD21 ASN 111 -17.945 28.158 13.698 825 HD22 ASN 111 HD22 ASN 111 -16.534 28.890 14.376 826 H THR 112 HN THR 112 -16.601 25.653 13.680 827 HA THR 112 HA THR 112 -19.095 24.149 14.040 828 HB THR 112 HB THR 112 -18.014 23.461 16.242 829 HG1 THR 112 HG1 THR 112 -16.190 24.404 16.708 830 HG21 THR 112 HG21 THR 112 -16.569 21.782 15.185 831 HG22 THR 112 HG22 THR 112 -16.616 22.695 13.676 832 HG23 THR 112 HG23 THR 112 -18.091 21.966 14.311 833 H GLN 113 HN GLN 113 -20.746 24.985 15.108 834 HA GLN 113 HA GLN 113 -20.301 27.362 16.792 835 HB2 GLN 113 HB2 GLN 113 -22.672 26.514 15.133 836 HB3 GLN 113 HB1 GLN 113 -22.794 27.752 16.375 837 HG2 GLN 113 HG2 GLN 113 -21.115 29.090 15.210 838 HG3 GLN 113 HG1 GLN 113 -20.992 27.848 13.965 839 HE21 GLN 113 HE21 GLN 113 -22.680 27.576 12.505 840 HE22 GLN 113 HE22 GLN 113 -23.902 28.777 12.279 841 H PHE 114 HN PHE 114 -21.310 27.524 18.788 842 HA PHE 114 HA PHE 114 -22.114 24.963 19.969 843 HB2 PHE 114 HB2 PHE 114 -20.227 26.517 20.897 844 HB3 PHE 114 HB1 PHE 114 -21.562 27.452 21.558 845 HD1 PHE 114 HD2 PHE 114 -19.705 24.312 21.741 846 HD2 PHE 114 HD1 PHE 114 -22.936 26.570 23.346 847 HE1 PHE 114 HE2 PHE 114 -19.800 22.794 23.676 848 HE2 PHE 114 HE1 PHE 114 -23.035 25.058 25.284 849 HZ PHE 114 HZ PHE 114 -21.467 23.166 25.450 850 H ASP 115 HN ASP 115 -23.153 28.350 19.715 851 HA ASP 115 HA ASP 115 -25.862 27.523 20.538 852 HB2 ASP 115 HB2 ASP 115 -24.457 29.168 22.026 853 HB3 ASP 115 HB1 ASP 115 -24.908 30.357 20.808 854 H ALA 116 HN ALA 116 -27.602 28.295 19.372 855 HA ALA 116 HA ALA 116 -28.817 28.968 17.583 856 HB1 ALA 116 HB1 ALA 116 -28.257 31.038 16.453 857 HB2 ALA 116 HB2 ALA 116 -26.625 30.989 17.118 858 HB3 ALA 116 HB3 ALA 116 -28.008 31.208 18.191 859 H ALA 117 HN ALA 117 -29.150 27.942 15.752 860 HA ALA 117 HA ALA 117 -26.850 26.932 14.239 861 HB1 ALA 117 HB1 ALA 117 -28.398 25.321 13.273 862 HB2 ALA 117 HB2 ALA 117 -29.744 26.090 14.116 863 HB3 ALA 117 HB3 ALA 117 -28.475 25.281 15.036 864 H ASN 118 HN ASN 118 -29.907 28.680 13.788 865 HA ASN 118 HA ASN 118 -28.969 29.523 11.123 866 HB2 ASN 118 HB2 ASN 118 -31.779 29.032 12.115 867 HB3 ASN 118 HB1 ASN 118 -31.431 29.898 10.623 868 HD21 ASN 118 HD21 ASN 118 -31.361 26.830 12.244 869 HD22 ASN 118 HD22 ASN 118 -31.103 25.861 10.838 870 H GLY 119 HN GLY 119 -30.722 30.537 14.038 871 HA2 GLY 119 HA2 GLY 119 -30.162 32.667 15.057 872 HA3 GLY 119 HA1 GLY 119 -29.946 33.322 13.440 873 H ILE 120 HN ILE 120 -32.072 32.908 16.031 874 HA ILE 120 HA ILE 120 -34.384 33.716 14.398 875 HB ILE 120 HB ILE 120 -35.747 33.065 16.475 876 HG12 ILE 120 HG12 ILE 120 -34.471 30.983 17.571 877 HG13 ILE 120 HG11 ILE 120 -33.064 31.982 17.225 878 HG21 ILE 120 HG21 ILE 120 -35.819 31.836 14.401 879 HG22 ILE 120 HG22 ILE 120 -35.851 30.720 15.766 880 HG23 ILE 120 HG23 ILE 120 -34.363 30.945 14.846 881 HD11 ILE 120 HD11 ILE 120 -34.031 33.796 18.542 882 HD12 ILE 120 HD12 ILE 120 -33.851 32.322 19.494 883 HD13 ILE 120 HD13 ILE 120 -35.439 32.791 18.888 884 H ASP 121 HN ASP 121 -35.631 35.471 14.966 885 HA ASP 121 HA ASP 121 -34.476 37.266 17.002 886 HB2 ASP 121 HB2 ASP 121 -35.712 37.920 14.324 887 HB3 ASP 121 HB1 ASP 121 -35.433 39.132 15.570 888 H ASP 122 HN ASP 122 -35.829 38.301 18.400 889 HA ASP 122 HA ASP 122 -38.589 37.328 18.470 890 HB2 ASP 122 HB2 ASP 122 -38.565 38.173 20.847 891 HB3 ASP 122 HB1 ASP 122 -37.440 36.865 20.512 892 H GLU 123 HN GLU 123 -36.742 40.352 18.698 893 HA GLU 123 HA GLU 123 -39.221 41.891 18.400 894 HB2 GLU 123 HB2 GLU 123 -36.438 42.661 19.274 895 HB3 GLU 123 HB1 GLU 123 -37.659 43.862 18.876 896 HG2 GLU 123 HG2 GLU 123 -39.108 42.968 20.631 897 HG3 GLU 123 HG1 GLU 123 -37.881 41.767 21.029 Start of MODEL 17 1 H TYR 1 HT1 TYR 1 -8.670 3.173 -18.931 2 HA TYR 1 HA TYR 1 -7.053 4.903 -17.153 3 HB2 TYR 1 HB2 TYR 1 -10.039 4.465 -17.350 4 HB3 TYR 1 HB1 TYR 1 -9.259 5.244 -15.979 5 HD1 TYR 1 HD2 TYR 1 -10.206 5.589 -19.499 6 HD2 TYR 1 HD1 TYR 1 -8.323 7.480 -16.186 7 HE1 TYR 1 HE2 TYR 1 -10.319 7.746 -20.673 8 HE2 TYR 1 HE1 TYR 1 -8.431 9.642 -17.351 9 HH TYR 1 HH TYR 1 -8.602 10.487 -19.655 10 H LEU 2 HN LEU 2 -9.089 2.018 -17.498 11 HA LEU 2 HA LEU 2 -9.244 0.053 -16.384 12 HB2 LEU 2 HB2 LEU 2 -6.496 0.804 -15.377 13 HB3 LEU 2 HB1 LEU 2 -7.251 -0.753 -15.100 14 HG LEU 2 HG LEU 2 -6.941 0.202 -17.916 15 HD11 LEU 2 HD11 LEU 2 -4.731 -1.009 -16.260 16 HD12 LEU 2 HD12 LEU 2 -4.757 0.619 -16.937 17 HD13 LEU 2 HD13 LEU 2 -4.697 -0.780 -18.009 18 HD21 LEU 2 HD21 LEU 2 -8.171 -1.860 -17.461 19 HD22 LEU 2 HD22 LEU 2 -6.776 -2.512 -16.601 20 HD23 LEU 2 HD23 LEU 2 -6.675 -2.195 -18.333 21 H ARG 3 HN ARG 3 -10.588 -0.365 -14.803 22 HA ARG 3 HA ARG 3 -11.108 1.406 -12.660 23 HB2 ARG 3 HB2 ARG 3 -12.022 -1.399 -13.269 24 HB3 ARG 3 HB1 ARG 3 -12.537 -0.554 -11.818 25 HG2 ARG 3 HG2 ARG 3 -12.910 0.722 -14.497 26 HG3 ARG 3 HG1 ARG 3 -14.034 -0.517 -13.942 27 HD2 ARG 3 HD2 ARG 3 -14.970 1.582 -13.341 28 HD3 ARG 3 HD1 ARG 3 -14.358 0.857 -11.857 29 HE ARG 3 HE ARG 3 -12.457 2.600 -13.102 30 HH11 ARG 3 HH11 ARG 3 -15.247 2.562 -10.969 31 HH12 ARG 3 HH12 ARG 3 -14.824 4.055 -10.201 32 HH21 ARG 3 HH21 ARG 3 -11.924 4.554 -12.083 33 HH22 ARG 3 HH22 ARG 3 -12.944 5.181 -10.832 34 H LEU 4 HN LEU 4 -10.953 1.040 -10.387 35 HA LEU 4 HA LEU 4 -8.509 -0.385 -9.636 36 HB2 LEU 4 HB2 LEU 4 -10.153 1.700 -8.202 37 HB3 LEU 4 HB1 LEU 4 -8.778 0.891 -7.479 38 HG LEU 4 HG LEU 4 -8.390 2.323 -10.074 39 HD11 LEU 4 HD11 LEU 4 -9.623 3.923 -8.723 40 HD12 LEU 4 HD12 LEU 4 -7.932 4.403 -8.865 41 HD13 LEU 4 HD13 LEU 4 -8.517 3.661 -7.375 42 HD21 LEU 4 HD21 LEU 4 -6.660 1.917 -7.633 43 HD22 LEU 4 HD22 LEU 4 -6.168 2.720 -9.124 44 HD23 LEU 4 HD23 LEU 4 -6.562 1.002 -9.137 45 H PHE 5 HN PHE 5 -8.446 -2.056 -8.251 46 HA PHE 5 HA PHE 5 -11.007 -3.223 -7.424 47 HB2 PHE 5 HB2 PHE 5 -8.244 -4.404 -7.759 48 HB3 PHE 5 HB1 PHE 5 -9.581 -5.290 -7.033 49 HD1 PHE 5 HD1 PHE 5 -11.442 -6.057 -8.378 50 HD2 PHE 5 HD2 PHE 5 -8.201 -3.923 -10.126 51 HE1 PHE 5 HE1 PHE 5 -12.184 -6.768 -10.614 52 HE2 PHE 5 HE2 PHE 5 -8.938 -4.629 -12.365 53 HZ PHE 5 HZ PHE 5 -10.932 -6.053 -12.610 54 H GLY 6 HN GLY 6 -10.957 -4.457 -5.300 55 HA2 GLY 6 HA2 GLY 6 -10.164 -2.652 -3.196 56 HA3 GLY 6 HA1 GLY 6 -11.033 -4.166 -3.002 57 H GLN 7 HN GLN 7 -9.744 -4.704 -1.188 58 HA GLN 7 HA GLN 7 -7.008 -5.557 -1.883 59 HB2 GLN 7 HB2 GLN 7 -8.027 -4.344 0.680 60 HB3 GLN 7 HB1 GLN 7 -6.522 -5.253 0.608 61 HG2 GLN 7 HG2 GLN 7 -5.689 -3.160 0.317 62 HG3 GLN 7 HG1 GLN 7 -6.036 -3.539 -1.368 63 HE21 GLN 7 HE21 GLN 7 -6.958 -1.678 1.408 64 HE22 GLN 7 HE22 GLN 7 -8.058 -0.621 0.596 65 H ASP 8 HN ASP 8 -6.207 -7.416 -0.880 66 HA ASP 8 HA ASP 8 -8.229 -9.237 0.256 67 HB2 ASP 8 HB2 ASP 8 -6.032 -9.818 -1.733 68 HB3 ASP 8 HB1 ASP 8 -6.873 -11.083 -0.843 69 H GLY 9 HN GLY 9 -5.298 -7.655 0.659 70 HA2 GLY 9 HA2 GLY 9 -4.182 -9.598 2.536 71 HA3 GLY 9 HA1 GLY 9 -3.361 -8.178 1.906 72 H LEU 10 HN LEU 10 -5.621 -9.391 4.218 73 HA LEU 10 HA LEU 10 -6.523 -7.122 5.529 74 HB2 LEU 10 HB2 LEU 10 -5.864 -9.854 6.623 75 HB3 LEU 10 HB1 LEU 10 -6.688 -8.618 7.551 76 HG LEU 10 HG LEU 10 -8.301 -8.707 5.397 77 HD11 LEU 10 HD11 LEU 10 -7.242 -11.510 5.715 78 HD12 LEU 10 HD12 LEU 10 -7.036 -10.475 4.302 79 HD13 LEU 10 HD13 LEU 10 -8.645 -11.038 4.756 80 HD21 LEU 10 HD21 LEU 10 -8.982 -8.873 7.728 81 HD22 LEU 10 HD22 LEU 10 -8.402 -10.539 7.788 82 HD23 LEU 10 HD23 LEU 10 -9.768 -10.120 6.755 83 H CYS 11 HN CYS 11 -5.913 -6.214 7.652 84 HA CYS 11 HA CYS 11 -3.189 -5.424 7.716 85 HB2 CYS 11 HB2 CYS 11 -4.995 -3.972 8.551 86 HB3 CYS 11 HB1 CYS 11 -5.284 -5.099 9.873 87 H ALA 12 HN ALA 12 -1.546 -6.429 8.453 88 HA ALA 12 HA ALA 12 -1.612 -8.905 9.816 89 HB1 ALA 12 HB1 ALA 12 0.862 -8.579 10.024 90 HB2 ALA 12 HB2 ALA 12 0.643 -6.994 9.281 91 HB3 ALA 12 HB3 ALA 12 0.217 -8.454 8.389 92 H SER 13 HN SER 13 -1.846 -5.730 11.074 93 HA SER 13 HA SER 13 -0.841 -6.516 13.710 94 HB2 SER 13 HB2 SER 13 -0.130 -4.341 12.680 95 HB3 SER 13 HB1 SER 13 -1.799 -3.789 12.819 96 HG SER 13 HG SER 13 0.140 -4.067 14.756 97 H CYS 14 HN CYS 14 -3.822 -5.392 12.141 98 HA CYS 14 HA CYS 14 -5.301 -5.681 14.655 99 HB2 CYS 14 HB2 CYS 14 -6.288 -4.643 11.998 100 HB3 CYS 14 HB1 CYS 14 -7.113 -4.530 13.547 101 H ASP 15 HN ASP 15 -4.913 -7.219 11.558 102 HA ASP 15 HA ASP 15 -5.712 -9.123 10.618 103 HB2 ASP 15 HB2 ASP 15 -6.655 -9.697 13.440 104 HB3 ASP 15 HB1 ASP 15 -6.812 -10.845 12.115 105 H LYS 16 HN LYS 16 -7.222 -6.692 10.572 106 HA LYS 16 HA LYS 16 -10.021 -7.589 10.488 107 HB2 LYS 16 HB2 LYS 16 -8.893 -4.788 10.335 108 HB3 LYS 16 HB1 LYS 16 -10.592 -5.197 10.349 109 HG2 LYS 16 HG2 LYS 16 -10.456 -5.967 12.596 110 HG3 LYS 16 HG1 LYS 16 -8.705 -5.819 12.604 111 HD2 LYS 16 HD2 LYS 16 -8.854 -3.427 12.443 112 HD3 LYS 16 HD1 LYS 16 -10.601 -3.508 12.209 113 HE2 LYS 16 HE2 LYS 16 -10.872 -4.411 14.457 114 HE3 LYS 16 HE1 LYS 16 -9.124 -4.376 14.693 115 HZ1 LYS 16 HZ1 LYS 16 -9.179 -1.970 14.456 116 HZ2 LYS 16 HZ2 LYS 16 -10.190 -2.469 15.716 117 HZ3 LYS 16 HZ3 LYS 16 -10.856 -2.006 14.231 118 H ARG 17 HN ARG 17 -11.316 -7.028 8.640 119 HA ARG 17 HA ARG 17 -10.102 -7.593 6.157 120 HB2 ARG 17 HB2 ARG 17 -12.841 -6.426 6.706 121 HB3 ARG 17 HB1 ARG 17 -12.317 -7.113 5.176 122 HG2 ARG 17 HG2 ARG 17 -11.885 -9.256 6.535 123 HG3 ARG 17 HG1 ARG 17 -12.900 -8.501 7.762 124 HD2 ARG 17 HD2 ARG 17 -14.712 -8.282 6.147 125 HD3 ARG 17 HD1 ARG 17 -13.697 -8.996 4.894 126 HE ARG 17 HE ARG 17 -14.090 -10.632 7.250 127 HH11 ARG 17 HH11 ARG 17 -15.239 -9.899 4.013 128 HH12 ARG 17 HH12 ARG 17 -16.045 -11.422 3.831 129 HH21 ARG 17 HH21 ARG 17 -15.149 -12.618 6.988 130 HH22 ARG 17 HH22 ARG 17 -15.993 -12.959 5.515 131 H ILE 18 HN ILE 18 -8.721 -6.247 5.168 132 HA ILE 18 HA ILE 18 -8.841 -3.406 5.482 133 HB ILE 18 HB ILE 18 -7.068 -5.311 3.981 134 HG12 ILE 18 HG12 ILE 18 -6.566 -3.117 6.015 135 HG13 ILE 18 HG11 ILE 18 -6.581 -4.845 6.337 136 HG21 ILE 18 HG21 ILE 18 -6.178 -2.565 3.601 137 HG22 ILE 18 HG22 ILE 18 -7.700 -2.894 2.771 138 HG23 ILE 18 HG23 ILE 18 -6.283 -3.888 2.440 139 HD11 ILE 18 HD11 ILE 18 -4.567 -5.159 5.093 140 HD12 ILE 18 HD12 ILE 18 -4.321 -3.863 6.262 141 HD13 ILE 18 HD13 ILE 18 -4.576 -3.479 4.559 142 H ARG 19 HN ARG 19 -10.656 -2.493 4.682 143 HA ARG 19 HA ARG 19 -11.075 -2.476 1.803 144 HB2 ARG 19 HB2 ARG 19 -13.114 -3.538 3.749 145 HB3 ARG 19 HB1 ARG 19 -13.604 -2.832 2.216 146 HG2 ARG 19 HG2 ARG 19 -12.256 -4.494 1.025 147 HG3 ARG 19 HG1 ARG 19 -11.785 -5.207 2.568 148 HD2 ARG 19 HD2 ARG 19 -14.128 -5.714 3.050 149 HD3 ARG 19 HD1 ARG 19 -14.603 -4.993 1.513 150 HE ARG 19 HE ARG 19 -12.699 -7.006 1.039 151 HH11 ARG 19 HH11 ARG 19 -16.053 -6.697 2.033 152 HH12 ARG 19 HH12 ARG 19 -16.502 -8.248 1.405 153 HH21 ARG 19 HH21 ARG 19 -13.309 -9.032 0.224 154 HH22 ARG 19 HH22 ARG 19 -14.949 -9.567 0.383 155 H ALA 20 HN ALA 20 -12.780 -0.912 1.152 156 HA ALA 20 HA ALA 20 -13.273 1.310 0.942 157 HB1 ALA 20 HB1 ALA 20 -15.240 0.214 1.908 158 HB2 ALA 20 HB2 ALA 20 -15.143 1.927 2.318 159 HB3 ALA 20 HB3 ALA 20 -14.707 0.708 3.516 160 H TYR 21 HN TYR 21 -13.083 1.347 4.516 161 HA TYR 21 HA TYR 21 -12.005 3.977 4.597 162 HB2 TYR 21 HB2 TYR 21 -13.429 2.792 6.367 163 HB3 TYR 21 HB1 TYR 21 -11.948 1.986 6.870 164 HD1 TYR 21 HD2 TYR 21 -13.626 5.273 6.601 165 HD2 TYR 21 HD1 TYR 21 -10.328 3.121 8.223 166 HE1 TYR 21 HE2 TYR 21 -13.090 7.188 8.047 167 HE2 TYR 21 HE1 TYR 21 -9.786 5.029 9.670 168 HH TYR 21 HH TYR 21 -11.910 7.627 10.162 169 H GLU 22 HN GLU 22 -10.421 1.421 3.481 170 HA GLU 22 HA GLU 22 -7.982 1.767 4.964 171 HB2 GLU 22 HB2 GLU 22 -9.056 -0.336 3.279 172 HB3 GLU 22 HB1 GLU 22 -7.358 0.006 2.963 173 HG2 GLU 22 HG2 GLU 22 -8.411 -0.371 5.726 174 HG3 GLU 22 HG1 GLU 22 -7.895 -1.724 4.730 175 H MET 23 HN MET 23 -7.623 3.690 4.553 176 HA MET 23 HA MET 23 -6.717 4.735 1.930 177 HB2 MET 23 HB2 MET 23 -7.165 5.983 4.657 178 HB3 MET 23 HB1 MET 23 -6.904 6.868 3.164 179 HG2 MET 23 HG2 MET 23 -9.296 5.252 4.011 180 HG3 MET 23 HG1 MET 23 -9.223 6.980 3.722 181 HE1 MET 23 HE1 MET 23 -11.505 5.108 2.524 182 HE2 MET 23 HE2 MET 23 -11.606 5.726 0.876 183 HE3 MET 23 HE3 MET 23 -11.410 6.844 2.226 184 H THR 24 HN THR 24 -4.750 3.476 1.918 185 HA THR 24 HA THR 24 -2.620 4.226 3.663 186 HB THR 24 HB THR 24 -3.839 2.593 5.105 187 HG1 THR 24 HG1 THR 24 -1.870 1.364 5.580 188 HG21 THR 24 HG21 THR 24 -2.929 0.558 3.081 189 HG22 THR 24 HG22 THR 24 -4.601 0.994 3.431 190 HG23 THR 24 HG23 THR 24 -3.625 0.191 4.660 191 H MET 25 HN MET 25 -0.798 2.315 3.371 192 HA MET 25 HA MET 25 -0.558 1.993 0.484 193 HB2 MET 25 HB2 MET 25 1.908 2.121 0.808 194 HB3 MET 25 HB1 MET 25 1.062 3.587 1.274 195 HG2 MET 25 HG2 MET 25 2.039 1.466 3.185 196 HG3 MET 25 HG1 MET 25 2.873 2.975 2.840 197 HE1 MET 25 HE1 MET 25 0.853 5.655 4.643 198 HE2 MET 25 HE2 MET 25 0.935 5.324 2.914 199 HE3 MET 25 HE3 MET 25 2.388 5.185 3.910 200 H ARG 26 HN ARG 26 0.932 0.191 -0.207 201 HA ARG 26 HA ARG 26 0.405 -2.199 1.418 202 HB2 ARG 26 HB2 ARG 26 0.417 -1.663 -1.476 203 HB3 ARG 26 HB1 ARG 26 1.202 -3.164 -1.006 204 HG2 ARG 26 HG2 ARG 26 -0.831 -3.839 0.185 205 HG3 ARG 26 HG1 ARG 26 -1.616 -2.349 -0.338 206 HD2 ARG 26 HD2 ARG 26 -1.312 -3.019 -2.676 207 HD3 ARG 26 HD1 ARG 26 -0.533 -4.508 -2.146 208 HE ARG 26 HE ARG 26 -3.059 -4.332 -0.946 209 HH11 ARG 26 HH11 ARG 26 -1.679 -4.848 -4.133 210 HH12 ARG 26 HH12 ARG 26 -3.030 -5.775 -4.695 211 HH21 ARG 26 HH21 ARG 26 -4.819 -5.548 -1.701 212 HH22 ARG 26 HH22 ARG 26 -4.807 -6.170 -3.318 213 H VAL 27 HN VAL 27 2.009 -3.344 2.246 214 HA VAL 27 HA VAL 27 4.757 -2.456 1.803 215 HB VAL 27 HB VAL 27 4.077 -4.596 3.801 216 HG11 VAL 27 HG11 VAL 27 6.378 -4.082 3.713 217 HG12 VAL 27 HG12 VAL 27 5.762 -3.273 5.154 218 HG13 VAL 27 HG13 VAL 27 6.070 -2.345 3.687 219 HG21 VAL 27 HG21 VAL 27 3.316 -1.705 4.056 220 HG22 VAL 27 HG22 VAL 27 3.687 -2.688 5.471 221 HG23 VAL 27 HG23 VAL 27 2.354 -3.142 4.408 222 H LYS 28 HN LYS 28 6.351 -4.546 2.130 223 HA LYS 28 HA LYS 28 6.558 -5.835 -0.265 224 HB2 LYS 28 HB2 LYS 28 7.589 -6.504 2.462 225 HB3 LYS 28 HB1 LYS 28 7.912 -7.582 1.114 226 HG2 LYS 28 HG2 LYS 28 8.994 -5.757 -0.096 227 HG3 LYS 28 HG1 LYS 28 8.647 -4.661 1.242 228 HD2 LYS 28 HD2 LYS 28 10.751 -5.233 1.876 229 HD3 LYS 28 HD1 LYS 28 9.923 -6.626 2.573 230 HE2 LYS 28 HE2 LYS 28 10.405 -7.920 0.551 231 HE3 LYS 28 HE1 LYS 28 11.225 -6.525 -0.149 232 HZ1 LYS 28 HZ1 LYS 28 12.051 -7.955 2.320 233 HZ2 LYS 28 HZ2 LYS 28 12.838 -6.618 1.647 234 HZ3 LYS 28 HZ3 LYS 28 12.798 -8.086 0.807 235 H ASP 29 HN ASP 29 5.401 -7.554 2.687 236 HA ASP 29 HA ASP 29 3.892 -9.342 0.890 237 HB2 ASP 29 HB2 ASP 29 5.386 -9.984 3.430 238 HB3 ASP 29 HB1 ASP 29 4.190 -11.071 2.733 239 H LYS 30 HN LYS 30 3.927 -7.721 4.022 240 HA LYS 30 HA LYS 30 1.124 -8.446 4.486 241 HB2 LYS 30 HB2 LYS 30 3.178 -7.169 6.298 242 HB3 LYS 30 HB1 LYS 30 1.520 -7.511 6.764 243 HG2 LYS 30 HG2 LYS 30 1.869 -9.852 6.624 244 HG3 LYS 30 HG1 LYS 30 3.428 -9.638 5.826 245 HD2 LYS 30 HD2 LYS 30 4.128 -8.399 7.965 246 HD3 LYS 30 HD1 LYS 30 2.697 -9.131 8.694 247 HE2 LYS 30 HE2 LYS 30 3.532 -11.351 8.082 248 HE3 LYS 30 HE1 LYS 30 4.963 -10.612 7.366 249 HZ1 LYS 30 HZ1 LYS 30 4.186 -10.459 10.230 250 HZ2 LYS 30 HZ2 LYS 30 5.560 -9.747 9.544 251 HZ3 LYS 30 HZ3 LYS 30 5.413 -11.431 9.591 252 H VAL 31 HN VAL 31 -0.424 -6.852 5.102 253 HA VAL 31 HA VAL 31 0.170 -4.125 4.135 254 HB VAL 31 HB VAL 31 -2.588 -5.366 4.033 255 HG11 VAL 31 HG11 VAL 31 -3.115 -3.573 2.509 256 HG12 VAL 31 HG12 VAL 31 -1.438 -3.033 2.503 257 HG13 VAL 31 HG13 VAL 31 -2.404 -2.888 3.970 258 HG21 VAL 31 HG21 VAL 31 -1.307 -6.761 2.588 259 HG22 VAL 31 HG22 VAL 31 -0.481 -5.374 1.881 260 HG23 VAL 31 HG23 VAL 31 -2.197 -5.631 1.566 261 H TYR 32 HN TYR 32 -0.538 -2.417 5.397 262 HA TYR 32 HA TYR 32 -1.899 -3.087 7.923 263 HB2 TYR 32 HB2 TYR 32 0.513 -1.278 7.636 264 HB3 TYR 32 HB1 TYR 32 -0.389 -1.542 9.121 265 HD1 TYR 32 HD2 TYR 32 1.870 -3.123 6.667 266 HD2 TYR 32 HD1 TYR 32 -0.015 -3.484 10.464 267 HE1 TYR 32 HE2 TYR 32 3.330 -5.029 7.198 268 HE2 TYR 32 HE1 TYR 32 1.441 -5.389 11.010 269 HH TYR 32 HH TYR 32 4.191 -6.186 9.188 270 H HIS 33 HN HIS 33 -3.119 -1.425 8.891 271 HA HIS 33 HA HIS 33 -4.510 0.317 7.136 272 HB2 HIS 33 HB2 HIS 33 -4.417 0.152 10.158 273 HB3 HIS 33 HB1 HIS 33 -5.488 1.237 9.290 274 HD2 HIS 33 HD2 HIS 33 -7.374 -0.287 7.546 275 HE1 HIS 33 HE1 HIS 33 -7.356 -3.563 10.264 276 HE2 HIS 33 HE2 HIS 33 -8.605 -2.395 8.409 277 H LEU 34 HN LEU 34 -4.823 2.739 7.721 278 HA LEU 34 HA LEU 34 -2.376 4.104 7.315 279 HB2 LEU 34 HB2 LEU 34 -3.690 6.171 7.507 280 HB3 LEU 34 HB1 LEU 34 -4.436 5.008 6.433 281 HG LEU 34 HG LEU 34 -5.722 4.465 8.789 282 HD11 LEU 34 HD11 LEU 34 -5.272 7.444 8.684 283 HD12 LEU 34 HD12 LEU 34 -4.643 6.347 9.913 284 HD13 LEU 34 HD13 LEU 34 -6.382 6.598 9.763 285 HD21 LEU 34 HD21 LEU 34 -6.726 4.763 6.563 286 HD22 LEU 34 HD22 LEU 34 -6.543 6.510 6.735 287 HD23 LEU 34 HD23 LEU 34 -7.614 5.626 7.819 288 H GLU 35 HN GLU 35 -4.491 3.831 10.148 289 HA GLU 35 HA GLU 35 -2.949 5.420 11.923 290 HB2 GLU 35 HB2 GLU 35 -4.912 3.191 12.512 291 HB3 GLU 35 HB1 GLU 35 -4.256 4.286 13.717 292 HG2 GLU 35 HG2 GLU 35 -5.282 6.175 12.431 293 HG3 GLU 35 HG1 GLU 35 -6.081 4.966 11.424 294 H CYS 36 HN CYS 36 -2.591 2.233 10.743 295 HA CYS 36 HA CYS 36 -0.805 1.369 12.882 296 HB2 CYS 36 HB2 CYS 36 -1.555 -0.243 10.448 297 HB3 CYS 36 HB1 CYS 36 -1.083 -0.819 12.042 298 H PHE 37 HN PHE 37 -0.411 3.294 10.330 299 HA PHE 37 HA PHE 37 2.294 2.289 9.706 300 HB2 PHE 37 HB2 PHE 37 0.478 2.273 7.835 301 HB3 PHE 37 HB1 PHE 37 0.720 4.014 7.804 302 HD1 PHE 37 HD2 PHE 37 2.358 0.753 7.272 303 HD2 PHE 37 HD1 PHE 37 2.617 4.974 6.722 304 HE1 PHE 37 HE2 PHE 37 4.244 0.434 5.729 305 HE2 PHE 37 HE1 PHE 37 4.504 4.651 5.167 306 HZ PHE 37 HZ PHE 37 5.317 2.384 4.676 307 H LYS 38 HN LYS 38 2.520 3.633 11.788 308 HA LYS 38 HA LYS 38 3.090 6.430 11.057 309 HB2 LYS 38 HB2 LYS 38 2.718 6.994 13.487 310 HB3 LYS 38 HB1 LYS 38 1.278 6.528 12.601 311 HG2 LYS 38 HG2 LYS 38 1.375 4.297 13.613 312 HG3 LYS 38 HG1 LYS 38 2.825 4.768 14.502 313 HD2 LYS 38 HD2 LYS 38 1.554 6.524 15.641 314 HD3 LYS 38 HD1 LYS 38 0.106 6.052 14.751 315 HE2 LYS 38 HE2 LYS 38 0.200 3.833 15.780 316 HE3 LYS 38 HE1 LYS 38 1.647 4.305 16.667 317 HZ1 LYS 38 HZ1 LYS 38 -1.033 5.555 16.942 318 HZ2 LYS 38 HZ2 LYS 38 0.355 6.007 17.796 319 HZ3 LYS 38 HZ3 LYS 38 -0.328 4.479 18.043 320 H CYS 39 HN CYS 39 4.842 7.466 12.239 321 HA CYS 39 HA CYS 39 7.213 5.927 12.204 322 HB2 CYS 39 HB2 CYS 39 7.031 8.392 11.750 323 HB3 CYS 39 HB1 CYS 39 6.841 8.635 13.483 324 H ALA 40 HN ALA 40 8.595 5.280 13.850 325 HA ALA 40 HA ALA 40 7.280 4.601 16.349 326 HB1 ALA 40 HB1 ALA 40 8.977 3.016 16.670 327 HB2 ALA 40 HB2 ALA 40 10.080 3.850 15.575 328 HB3 ALA 40 HB3 ALA 40 8.671 3.006 14.933 329 H ALA 41 HN ALA 41 9.055 7.222 15.334 330 HA ALA 41 HA ALA 41 10.168 7.671 18.025 331 HB1 ALA 41 HB1 ALA 41 11.185 8.947 15.497 332 HB2 ALA 41 HB2 ALA 41 11.831 7.448 16.161 333 HB3 ALA 41 HB3 ALA 41 11.939 8.942 17.092 334 H CYS 42 HN CYS 42 8.707 9.364 15.227 335 HA CYS 42 HA CYS 42 7.888 11.499 17.080 336 HB2 CYS 42 HB2 CYS 42 7.813 13.023 15.238 337 HB3 CYS 42 HB1 CYS 42 9.346 12.169 15.163 338 H GLN 43 HN GLN 43 6.666 8.834 15.502 339 HA GLN 43 HA GLN 43 4.606 7.955 15.172 340 HB2 GLN 43 HB2 GLN 43 3.898 10.196 17.046 341 HB3 GLN 43 HB1 GLN 43 2.658 9.135 16.394 342 HG2 GLN 43 HG2 GLN 43 5.053 7.973 17.747 343 HG3 GLN 43 HG1 GLN 43 3.726 8.625 18.706 344 HE21 GLN 43 HE21 GLN 43 4.721 6.133 16.504 345 HE22 GLN 43 HE22 GLN 43 3.358 5.097 16.737 346 H LYS 44 HN LYS 44 5.623 10.316 13.450 347 HA LYS 44 HA LYS 44 3.372 11.689 12.416 348 HB2 LYS 44 HB2 LYS 44 5.950 12.129 12.164 349 HB3 LYS 44 HB1 LYS 44 5.781 11.137 10.725 350 HG2 LYS 44 HG2 LYS 44 4.098 12.681 9.855 351 HG3 LYS 44 HG1 LYS 44 4.259 13.673 11.306 352 HD2 LYS 44 HD2 LYS 44 6.612 14.083 10.760 353 HD3 LYS 44 HD1 LYS 44 6.451 13.087 9.313 354 HE2 LYS 44 HE2 LYS 44 6.266 15.322 8.579 355 HE3 LYS 44 HE1 LYS 44 4.624 14.679 8.582 356 HZ1 LYS 44 HZ1 LYS 44 4.706 16.897 9.534 357 HZ2 LYS 44 HZ2 LYS 44 5.815 16.386 10.704 358 HZ3 LYS 44 HZ3 LYS 44 4.240 15.769 10.706 359 H HIS 45 HN HIS 45 2.534 11.509 10.197 360 HA HIS 45 HA HIS 45 1.967 8.715 9.526 361 HB2 HIS 45 HB2 HIS 45 0.600 11.305 8.779 362 HB3 HIS 45 HB1 HIS 45 0.159 9.753 8.077 363 HD1 HIS 45 HD1 HIS 45 -1.375 8.275 9.417 364 HD2 HIS 45 HD2 HIS 45 0.053 11.509 11.601 365 HE1 HIS 45 HE1 HIS 45 -2.683 8.267 11.565 366 HE2 HIS 45 HE2 HIS 45 -1.746 10.184 12.904 367 H PHE 46 HN PHE 46 1.996 7.989 7.323 368 HA PHE 46 HA PHE 46 4.003 9.398 5.692 369 HB2 PHE 46 HB2 PHE 46 3.348 6.464 5.874 370 HB3 PHE 46 HB1 PHE 46 4.405 7.138 4.650 371 HD1 PHE 46 HD1 PHE 46 4.020 7.055 8.378 372 HD2 PHE 46 HD2 PHE 46 6.674 7.162 5.045 373 HE1 PHE 46 HE1 PHE 46 5.928 6.834 9.899 374 HE2 PHE 46 HE2 PHE 46 8.584 6.944 6.571 375 HZ PHE 46 HZ PHE 46 8.215 6.780 9.002 376 H SER 47 HN SER 47 3.745 9.570 3.518 377 HA SER 47 HA SER 47 1.037 9.130 2.444 378 HB2 SER 47 HB2 SER 47 2.863 11.488 1.918 379 HB3 SER 47 HB1 SER 47 1.304 11.217 1.141 380 HG SER 47 HG SER 47 0.850 12.522 2.824 381 H VAL 48 HN VAL 48 0.925 8.983 0.055 382 HA VAL 48 HA VAL 48 2.774 7.107 -0.979 383 HB VAL 48 HB VAL 48 1.587 7.585 -3.218 384 HG11 VAL 48 HG11 VAL 48 1.160 5.640 -1.823 385 HG12 VAL 48 HG12 VAL 48 -0.335 6.237 -2.545 386 HG13 VAL 48 HG13 VAL 48 0.024 6.574 -0.849 387 HG21 VAL 48 HG21 VAL 48 -0.636 8.621 -3.022 388 HG22 VAL 48 HG22 VAL 48 0.654 9.777 -2.693 389 HG23 VAL 48 HG23 VAL 48 -0.270 9.083 -1.360 390 H GLY 49 HN GLY 49 4.586 7.279 -2.098 391 HA2 GLY 49 HA2 GLY 49 5.915 8.277 -3.841 392 HA3 GLY 49 HA1 GLY 49 5.236 9.837 -3.410 393 H ASP 50 HN ASP 50 5.990 8.148 -0.614 394 HA ASP 50 HA ASP 50 8.597 9.511 -0.401 395 HB2 ASP 50 HB2 ASP 50 6.542 10.216 1.070 396 HB3 ASP 50 HB1 ASP 50 6.950 8.778 1.999 397 H ARG 51 HN ARG 51 10.243 8.483 0.849 398 HA ARG 51 HA ARG 51 10.130 5.560 0.721 399 HB2 ARG 51 HB2 ARG 51 12.441 7.483 1.050 400 HB3 ARG 51 HB1 ARG 51 12.613 5.735 1.087 401 HG2 ARG 51 HG2 ARG 51 11.232 6.833 -1.273 402 HG3 ARG 51 HG1 ARG 51 12.944 7.226 -1.126 403 HD2 ARG 51 HD2 ARG 51 13.484 4.859 -0.930 404 HD3 ARG 51 HD1 ARG 51 11.772 4.448 -1.014 405 HE ARG 51 HE ARG 51 12.295 5.890 -3.296 406 HH11 ARG 51 HH11 ARG 51 13.513 2.899 -1.914 407 HH12 ARG 51 HH12 ARG 51 13.879 2.201 -3.456 408 HH21 ARG 51 HH21 ARG 51 12.783 4.956 -5.303 409 HH22 ARG 51 HH22 ARG 51 13.467 3.367 -5.373 410 H TYR 52 HN TYR 52 10.055 4.303 2.499 411 HA TYR 52 HA TYR 52 10.630 5.564 5.091 412 HB2 TYR 52 HB2 TYR 52 8.772 4.446 6.128 413 HB3 TYR 52 HB1 TYR 52 8.180 5.334 4.736 414 HD1 TYR 52 HD2 TYR 52 7.333 4.141 2.771 415 HD2 TYR 52 HD1 TYR 52 8.685 2.016 6.207 416 HE1 TYR 52 HE2 TYR 52 6.213 2.114 1.962 417 HE2 TYR 52 HE1 TYR 52 7.575 -0.015 5.391 418 HH TYR 52 HH TYR 52 6.390 -0.326 2.232 419 H LEU 53 HN LEU 53 11.234 4.137 6.808 420 HA LEU 53 HA LEU 53 12.593 1.704 5.855 421 HB2 LEU 53 HB2 LEU 53 14.098 3.527 6.612 422 HB3 LEU 53 HB1 LEU 53 13.327 3.491 8.184 423 HG LEU 53 HG LEU 53 14.187 0.857 7.708 424 HD11 LEU 53 HD11 LEU 53 15.629 1.643 5.931 425 HD12 LEU 53 HD12 LEU 53 16.593 1.157 7.327 426 HD13 LEU 53 HD13 LEU 53 16.315 2.867 6.998 427 HD21 LEU 53 HD21 LEU 53 15.610 1.267 9.620 428 HD22 LEU 53 HD22 LEU 53 14.045 2.051 9.857 429 HD23 LEU 53 HD23 LEU 53 15.453 3.009 9.396 430 H LEU 54 HN LEU 54 12.045 -0.179 6.758 431 HA LEU 54 HA LEU 54 10.054 -0.166 8.899 432 HB2 LEU 54 HB2 LEU 54 9.865 -1.466 6.653 433 HB3 LEU 54 HB1 LEU 54 10.965 -2.607 7.398 434 HG LEU 54 HG LEU 54 8.499 -1.889 8.910 435 HD11 LEU 54 HD11 LEU 54 8.522 -3.735 6.528 436 HD12 LEU 54 HD12 LEU 54 7.643 -2.212 6.661 437 HD13 LEU 54 HD13 LEU 54 7.206 -3.575 7.690 438 HD21 LEU 54 HD21 LEU 54 10.157 -3.401 9.877 439 HD22 LEU 54 HD22 LEU 54 10.013 -4.464 8.478 440 HD23 LEU 54 HD23 LEU 54 8.640 -4.243 9.563 441 H ILE 55 HN ILE 55 10.943 -0.087 10.850 442 HA ILE 55 HA ILE 55 13.440 -1.449 11.421 443 HB ILE 55 HB ILE 55 12.609 0.924 12.287 444 HG12 ILE 55 HG12 ILE 55 14.156 0.413 14.375 445 HG13 ILE 55 HG11 ILE 55 14.434 -1.092 13.509 446 HG21 ILE 55 HG21 ILE 55 11.815 0.955 14.538 447 HG22 ILE 55 HG22 ILE 55 11.875 -0.804 14.638 448 HG23 ILE 55 HG23 ILE 55 10.700 -0.022 13.580 449 HD11 ILE 55 HD11 ILE 55 16.118 0.676 13.069 450 HD12 ILE 55 HD12 ILE 55 14.846 1.635 12.311 451 HD13 ILE 55 HD13 ILE 55 15.307 0.079 11.622 452 H ASN 56 HN ASN 56 13.455 -2.511 13.763 453 HA ASN 56 HA ASN 56 12.367 -5.018 13.626 454 HB2 ASN 56 HB2 ASN 56 12.981 -3.522 16.180 455 HB3 ASN 56 HB1 ASN 56 12.907 -5.268 15.989 456 HD21 ASN 56 HD21 ASN 56 14.681 -2.375 15.225 457 HD22 ASN 56 HD22 ASN 56 16.165 -3.148 14.807 458 H SER 57 HN SER 57 10.838 -2.177 15.083 459 HA SER 57 HA SER 57 8.527 -3.833 15.817 460 HB2 SER 57 HB2 SER 57 9.594 -2.483 17.626 461 HB3 SER 57 HB1 SER 57 9.147 -1.021 16.748 462 HG SER 57 HG SER 57 7.198 -2.942 17.408 463 H ASP 58 HN ASP 58 8.767 -0.370 14.913 464 HA ASP 58 HA ASP 58 6.615 -0.836 12.952 465 HB2 ASP 58 HB2 ASP 58 7.002 1.432 14.902 466 HB3 ASP 58 HB1 ASP 58 5.955 1.587 13.497 467 H ILE 59 HN ILE 59 6.536 1.687 11.788 468 HA ILE 59 HA ILE 59 8.956 1.645 10.161 469 HB ILE 59 HB ILE 59 6.367 3.181 9.794 470 HG12 ILE 59 HG12 ILE 59 6.435 1.501 7.703 471 HG13 ILE 59 HG11 ILE 59 7.313 0.525 8.875 472 HG21 ILE 59 HG21 ILE 59 8.844 3.090 8.126 473 HG22 ILE 59 HG22 ILE 59 7.889 4.484 8.630 474 HG23 ILE 59 HG23 ILE 59 7.266 3.390 7.395 475 HD11 ILE 59 HD11 ILE 59 4.587 1.708 9.346 476 HD12 ILE 59 HD12 ILE 59 5.454 0.582 10.390 477 HD13 ILE 59 HD13 ILE 59 4.891 0.058 8.803 478 H VAL 60 HN VAL 60 10.372 3.346 9.927 479 HA VAL 60 HA VAL 60 10.037 5.630 11.771 480 HB VAL 60 HB VAL 60 12.695 4.426 10.933 481 HG11 VAL 60 HG11 VAL 60 13.637 5.779 12.730 482 HG12 VAL 60 HG12 VAL 60 12.040 6.422 13.103 483 HG13 VAL 60 HG13 VAL 60 12.803 6.797 11.557 484 HG21 VAL 60 HG21 VAL 60 11.359 2.871 12.348 485 HG22 VAL 60 HG22 VAL 60 11.333 4.106 13.606 486 HG23 VAL 60 HG23 VAL 60 12.867 3.400 13.096 487 H CYS 61 HN CYS 61 9.727 7.483 10.710 488 HA CYS 61 HA CYS 61 10.030 7.864 7.958 489 HB2 CYS 61 HB2 CYS 61 9.329 10.070 8.307 490 HB3 CYS 61 HB1 CYS 61 8.598 9.179 9.634 491 H GLU 62 HN GLU 62 11.380 9.404 6.816 492 HA GLU 62 HA GLU 62 14.130 8.898 7.152 493 HB2 GLU 62 HB2 GLU 62 12.606 10.824 5.418 494 HB3 GLU 62 HB1 GLU 62 14.363 10.745 5.390 495 HG2 GLU 62 HG2 GLU 62 14.249 8.392 4.748 496 HG3 GLU 62 HG1 GLU 62 12.488 8.470 4.776 497 H GLN 63 HN GLN 63 12.130 11.279 8.583 498 HA GLN 63 HA GLN 63 14.004 13.376 8.948 499 HB2 GLN 63 HB2 GLN 63 11.374 13.253 9.277 500 HB3 GLN 63 HB1 GLN 63 11.827 12.928 10.943 501 HG2 GLN 63 HG2 GLN 63 12.895 15.312 9.466 502 HG3 GLN 63 HG1 GLN 63 11.328 15.345 10.269 503 HE21 GLN 63 HE21 GLN 63 14.770 15.192 10.695 504 HE22 GLN 63 HE22 GLN 63 14.782 15.523 12.390 505 H ASP 64 HN ASP 64 12.966 10.782 11.193 506 HA ASP 64 HA ASP 64 15.339 11.357 12.836 507 HB2 ASP 64 HB2 ASP 64 14.091 10.261 14.710 508 HB3 ASP 64 HB1 ASP 64 13.350 11.740 14.113 509 H ILE 65 HN ILE 65 14.861 9.450 10.445 510 HA ILE 65 HA ILE 65 15.105 6.785 11.235 511 HB ILE 65 HB ILE 65 14.576 7.379 8.948 512 HG12 ILE 65 HG12 ILE 65 16.769 5.523 9.606 513 HG13 ILE 65 HG11 ILE 65 15.280 5.230 8.725 514 HG21 ILE 65 HG21 ILE 65 16.311 8.211 7.369 515 HG22 ILE 65 HG22 ILE 65 17.373 8.488 8.748 516 HG23 ILE 65 HG23 ILE 65 15.854 9.375 8.614 517 HD11 ILE 65 HD11 ILE 65 16.262 5.949 6.680 518 HD12 ILE 65 HD12 ILE 65 17.392 4.831 7.448 519 HD13 ILE 65 HD13 ILE 65 17.687 6.569 7.517 520 H TYR 66 HN TYR 66 17.713 9.092 10.498 521 HA TYR 66 HA TYR 66 19.904 7.408 10.802 522 HB2 TYR 66 HB2 TYR 66 19.971 9.645 9.765 523 HB3 TYR 66 HB1 TYR 66 19.748 10.383 11.346 524 HD1 TYR 66 HD1 TYR 66 22.110 8.604 9.159 525 HD2 TYR 66 HD2 TYR 66 21.556 10.516 12.916 526 HE1 TYR 66 HE1 TYR 66 24.548 8.638 9.498 527 HE2 TYR 66 HE2 TYR 66 23.979 10.551 13.273 528 HH TYR 66 HH TYR 66 25.979 9.343 12.496 529 H GLU 67 HN GLU 67 18.539 9.610 13.282 530 HA GLU 67 HA GLU 67 20.322 8.863 15.344 531 HB2 GLU 67 HB2 GLU 67 17.632 10.219 15.354 532 HB3 GLU 67 HB1 GLU 67 18.503 9.885 16.843 533 HG2 GLU 67 HG2 GLU 67 20.383 11.227 16.046 534 HG3 GLU 67 HG1 GLU 67 19.508 11.561 14.552 535 H TRP 68 HN TRP 68 17.109 7.664 14.456 536 HA TRP 68 HA TRP 68 16.681 5.997 16.703 537 HB2 TRP 68 HB2 TRP 68 14.883 6.727 15.169 538 HB3 TRP 68 HB1 TRP 68 15.577 5.732 13.895 539 HD1 TRP 68 HD1 TRP 68 15.249 3.083 14.076 540 HE1 TRP 68 HE1 TRP 68 13.555 1.650 15.389 541 HE3 TRP 68 HE3 TRP 68 13.570 6.606 17.400 542 HZ2 TRP 68 HZ2 TRP 68 11.761 1.962 17.539 543 HZ3 TRP 68 HZ3 TRP 68 11.869 5.950 19.051 544 HH2 TRP 68 HH2 TRP 68 10.986 3.676 19.118 545 H THR 69 HN THR 69 18.024 5.327 13.480 546 HA THR 69 HA THR 69 18.427 2.558 13.794 547 HB THR 69 HB THR 69 20.135 2.829 11.946 548 HG1 THR 69 HG1 THR 69 20.656 4.788 11.285 549 HG21 THR 69 HG21 THR 69 17.398 4.024 11.495 550 HG22 THR 69 HG22 THR 69 17.799 2.306 11.464 551 HG23 THR 69 HG23 THR 69 18.461 3.388 10.239 552 H LYS 70 HN LYS 70 20.309 5.310 14.797 553 HA LYS 70 HA LYS 70 22.795 4.048 15.257 554 HB2 LYS 70 HB2 LYS 70 21.497 6.536 16.350 555 HB3 LYS 70 HB1 LYS 70 23.090 6.021 16.859 556 HG2 LYS 70 HG2 LYS 70 23.585 5.985 14.295 557 HG3 LYS 70 HG1 LYS 70 22.187 7.054 14.222 558 HD2 LYS 70 HD2 LYS 70 24.467 7.605 16.105 559 HD3 LYS 70 HD1 LYS 70 24.543 8.104 14.418 560 HE2 LYS 70 HE2 LYS 70 22.493 9.412 14.713 561 HE3 LYS 70 HE1 LYS 70 22.409 8.906 16.399 562 HZ1 LYS 70 HZ1 LYS 70 23.373 11.107 16.183 563 HZ2 LYS 70 HZ2 LYS 70 24.596 10.504 15.182 564 HZ3 LYS 70 HZ3 LYS 70 24.515 10.021 16.800 565 H ILE 71 HN ILE 71 19.974 4.575 17.305 566 HA ILE 71 HA ILE 71 21.221 3.410 19.653 567 HB ILE 71 HB ILE 71 18.290 4.065 19.432 568 HG12 ILE 71 HG12 ILE 71 19.362 6.091 18.646 569 HG13 ILE 71 HG11 ILE 71 18.780 6.359 20.279 570 HG21 ILE 71 HG21 ILE 71 18.483 4.530 21.839 571 HG22 ILE 71 HG22 ILE 71 20.186 4.074 21.776 572 HG23 ILE 71 HG23 ILE 71 18.939 2.875 21.430 573 HD11 ILE 71 HD11 ILE 71 21.068 6.114 21.129 574 HD12 ILE 71 HD12 ILE 71 20.948 7.401 19.929 575 HD13 ILE 71 HD13 ILE 71 21.645 5.843 19.484 576 H ASN 72 HN ASN 72 18.555 2.519 17.450 577 HA ASN 72 HA ASN 72 18.095 -0.003 18.767 578 HB2 ASN 72 HB2 ASN 72 16.961 1.289 16.300 579 HB3 ASN 72 HB1 ASN 72 16.563 -0.368 16.739 580 HD21 ASN 72 HD21 ASN 72 16.238 2.985 17.590 581 HD22 ASN 72 HD22 ASN 72 14.981 2.775 18.755 582 H GLY 73 HN GLY 73 19.924 1.064 15.978 583 HA2 GLY 73 HA2 GLY 73 20.567 -1.746 15.332 584 HA3 GLY 73 HA1 GLY 73 20.671 -0.413 14.193 585 H GLY 74 HN GLY 74 22.723 -2.317 14.817 586 HA2 GLY 74 HA2 GLY 74 25.011 -0.881 14.775 587 HA3 GLY 74 HA1 GLY 74 24.672 -0.992 16.495 588 H SER 75 HN SER 75 24.836 -3.074 13.612 589 HA SER 75 HA SER 75 26.279 -5.070 15.226 590 HB2 SER 75 HB2 SER 75 24.179 -5.635 13.119 591 HB3 SER 75 HB1 SER 75 25.144 -6.857 13.947 592 HG SER 75 HG SER 75 23.677 -5.020 15.471 593 H GLY 76 HN GLY 76 25.645 -3.814 11.965 594 HA2 GLY 76 HA2 GLY 76 27.920 -3.287 10.864 595 HA3 GLY 76 HA1 GLY 76 28.161 -5.019 11.024 596 H GLY 77 HN GLY 77 26.701 -6.446 9.881 597 HA2 GLY 77 HA2 GLY 77 24.686 -5.972 8.170 598 HA3 GLY 77 HA1 GLY 77 26.068 -5.402 7.247 599 H SER 78 HN SER 78 25.141 -8.223 9.218 600 HA SER 78 HA SER 78 26.202 -9.965 7.093 601 HB2 SER 78 HB2 SER 78 27.713 -9.864 9.100 602 HB3 SER 78 HB1 SER 78 26.399 -10.540 10.059 603 HG SER 78 HG SER 78 27.994 -11.745 8.111 604 H GLY 79 HN GLY 79 24.971 -11.682 6.522 605 HA2 GLY 79 HA2 GLY 79 23.312 -13.372 7.451 606 HA3 GLY 79 HA1 GLY 79 22.368 -11.956 7.888 607 H GLY 80 HN GLY 80 21.444 -10.669 6.229 608 HA2 GLY 80 HA2 GLY 80 21.510 -11.724 3.502 609 HA3 GLY 80 HA1 GLY 80 19.959 -11.737 4.328 610 H SER 81 HN SER 81 19.158 -9.648 5.141 611 HA SER 81 HA SER 81 19.783 -7.510 3.231 612 HB2 SER 81 HB2 SER 81 17.371 -7.892 5.023 613 HB3 SER 81 HB1 SER 81 17.588 -6.571 3.874 614 HG SER 81 HG SER 81 17.898 -8.442 2.316 615 H GLY 82 HN GLY 82 20.642 -5.625 3.843 616 HA2 GLY 82 HA2 GLY 82 20.968 -5.131 6.740 617 HA3 GLY 82 HA1 GLY 82 22.199 -4.740 5.549 618 H GLY 83 HN GLY 83 21.507 -3.168 3.826 619 HA2 GLY 83 HA2 GLY 83 19.974 -0.996 5.098 620 HA3 GLY 83 HA1 GLY 83 21.215 -0.781 3.872 621 H ASP 84 HN ASP 84 17.985 -2.143 4.398 622 HA ASP 84 HA ASP 84 17.363 -1.640 1.561 623 HB2 ASP 84 HB2 ASP 84 16.197 -3.623 3.520 624 HB3 ASP 84 HB1 ASP 84 15.448 -3.259 1.969 625 H VAL 85 HN VAL 85 15.690 -0.351 1.013 626 HA VAL 85 HA VAL 85 14.047 0.791 3.181 627 HB VAL 85 HB VAL 85 14.879 2.406 0.762 628 HG11 VAL 85 HG11 VAL 85 12.927 3.220 1.966 629 HG12 VAL 85 HG12 VAL 85 14.288 4.322 2.182 630 HG13 VAL 85 HG13 VAL 85 13.836 3.215 3.478 631 HG21 VAL 85 HG21 VAL 85 16.938 1.797 1.921 632 HG22 VAL 85 HG22 VAL 85 16.263 2.370 3.446 633 HG23 VAL 85 HG23 VAL 85 16.582 3.511 2.139 634 H MET 86 HN MET 86 11.905 0.953 2.804 635 HA MET 86 HA MET 86 10.909 -0.050 0.219 636 HB2 MET 86 HB2 MET 86 9.714 -0.195 2.988 637 HB3 MET 86 HB1 MET 86 8.819 -0.604 1.534 638 HG2 MET 86 HG2 MET 86 11.342 -1.958 2.463 639 HG3 MET 86 HG1 MET 86 9.709 -2.576 2.688 640 HE1 MET 86 HE1 MET 86 12.389 -3.132 -0.877 641 HE2 MET 86 HE2 MET 86 12.713 -3.300 0.848 642 HE3 MET 86 HE3 MET 86 12.527 -1.696 0.139 643 H VAL 87 HN VAL 87 9.392 1.064 -0.906 644 HA VAL 87 HA VAL 87 8.913 3.823 -0.096 645 HB VAL 87 HB VAL 87 7.764 3.011 -2.666 646 HG11 VAL 87 HG11 VAL 87 9.702 5.161 -1.845 647 HG12 VAL 87 HG12 VAL 87 7.951 5.320 -1.991 648 HG13 VAL 87 HG13 VAL 87 8.934 5.032 -3.426 649 HG21 VAL 87 HG21 VAL 87 9.914 2.874 -3.870 650 HG22 VAL 87 HG22 VAL 87 9.672 1.515 -2.774 651 HG23 VAL 87 HG23 VAL 87 10.760 2.827 -2.323 652 H VAL 88 HN VAL 88 6.867 4.778 -0.039 653 HA VAL 88 HA VAL 88 4.781 3.336 1.129 654 HB VAL 88 HB VAL 88 4.645 6.014 -0.279 655 HG11 VAL 88 HG11 VAL 88 2.725 6.485 1.164 656 HG12 VAL 88 HG12 VAL 88 2.814 4.847 1.795 657 HG13 VAL 88 HG13 VAL 88 2.410 5.110 0.103 658 HG21 VAL 88 HG21 VAL 88 4.960 6.975 1.954 659 HG22 VAL 88 HG22 VAL 88 6.338 5.990 1.465 660 HG23 VAL 88 HG23 VAL 88 5.164 5.352 2.615 661 H GLY 89 HN GLY 89 3.679 1.759 0.242 662 HA2 GLY 89 HA2 GLY 89 3.327 1.274 -2.520 663 HA3 GLY 89 HA1 GLY 89 2.526 0.433 -1.216 664 H GLU 90 HN GLU 90 0.460 0.452 -1.356 665 HA GLU 90 HA GLU 90 -1.129 1.804 -3.157 666 HB2 GLU 90 HB2 GLU 90 -1.642 0.273 -0.653 667 HB3 GLU 90 HB1 GLU 90 -2.978 1.184 -1.343 668 HG2 GLU 90 HG2 GLU 90 -1.364 -0.728 -2.994 669 HG3 GLU 90 HG1 GLU 90 -2.722 -1.269 -2.010 670 HA PRO 91 HA PRO 91 -2.054 5.695 -1.176 671 HB2 PRO 91 HB2 PRO 91 -4.534 6.250 -2.246 672 HB3 PRO 91 HB1 PRO 91 -2.978 6.474 -3.078 673 HG2 PRO 91 HG2 PRO 91 -5.039 4.603 -3.738 674 HG3 PRO 91 HG1 PRO 91 -3.448 4.762 -4.496 675 HD2 PRO 91 HD2 PRO 91 -4.373 2.840 -2.436 676 HD3 PRO 91 HD1 PRO 91 -3.073 2.680 -3.634 677 H THR 92 HN THR 92 -3.385 7.040 -0.153 678 HA THR 92 HA THR 92 -5.215 6.084 1.832 679 HB THR 92 HB THR 92 -4.879 8.393 2.813 680 HG1 THR 92 HG1 THR 92 -4.014 9.115 0.602 681 HG21 THR 92 HG21 THR 92 -3.589 6.502 3.675 682 HG22 THR 92 HG22 THR 92 -2.626 7.980 3.691 683 HG23 THR 92 HG23 THR 92 -2.360 6.767 2.439 684 H LEU 93 HN LEU 93 -7.053 7.709 2.193 685 HA LEU 93 HA LEU 93 -8.854 7.705 0.233 686 HB2 LEU 93 HB2 LEU 93 -10.020 9.627 1.325 687 HB3 LEU 93 HB1 LEU 93 -9.601 8.307 2.383 688 HG LEU 93 HG LEU 93 -7.449 10.018 2.667 689 HD11 LEU 93 HD11 LEU 93 -8.313 12.226 2.980 690 HD12 LEU 93 HD12 LEU 93 -9.952 11.688 2.612 691 HD13 LEU 93 HD13 LEU 93 -8.722 11.695 1.347 692 HD21 LEU 93 HD21 LEU 93 -9.959 9.624 4.269 693 HD22 LEU 93 HD22 LEU 93 -8.635 10.645 4.828 694 HD23 LEU 93 HD23 LEU 93 -8.361 8.928 4.537 695 H MET 94 HN MET 94 -8.333 8.133 -1.733 696 HA MET 94 HA MET 94 -6.980 10.406 -2.735 697 HB2 MET 94 HB2 MET 94 -8.640 8.249 -3.970 698 HB3 MET 94 HB1 MET 94 -8.189 9.645 -4.939 699 HG2 MET 94 HG2 MET 94 -5.823 9.194 -4.438 700 HG3 MET 94 HG1 MET 94 -6.308 7.757 -3.540 701 HE1 MET 94 HE1 MET 94 -4.284 8.072 -6.310 702 HE2 MET 94 HE2 MET 94 -4.626 6.434 -6.868 703 HE3 MET 94 HE3 MET 94 -4.393 6.751 -5.150 704 H GLY 95 HN GLY 95 -10.452 9.683 -2.487 705 HA2 GLY 95 HA2 GLY 95 -11.064 12.522 -2.509 706 HA3 GLY 95 HA1 GLY 95 -11.699 11.614 -3.872 707 H GLY 96 HN GLY 96 -13.527 10.442 -3.636 708 HA2 GLY 96 HA2 GLY 96 -14.510 9.584 -1.076 709 HA3 GLY 96 HA1 GLY 96 -15.387 10.971 -1.702 710 H GLU 97 HN GLU 97 -16.121 10.702 -4.047 711 HA GLU 97 HA GLU 97 -17.425 8.086 -4.273 712 HB2 GLU 97 HB2 GLU 97 -18.045 10.788 -5.458 713 HB3 GLU 97 HB1 GLU 97 -18.837 9.319 -6.010 714 HG2 GLU 97 HG2 GLU 97 -19.705 8.936 -3.762 715 HG3 GLU 97 HG1 GLU 97 -18.901 10.401 -3.200 716 H PHE 98 HN PHE 98 -17.335 6.836 -6.110 717 HA PHE 98 HA PHE 98 -15.465 7.669 -8.224 718 HB2 PHE 98 HB2 PHE 98 -15.537 5.010 -6.791 719 HB3 PHE 98 HB1 PHE 98 -14.698 5.256 -8.317 720 HD1 PHE 98 HD1 PHE 98 -14.698 5.961 -4.733 721 HD2 PHE 98 HD2 PHE 98 -12.661 6.559 -8.422 722 HE1 PHE 98 HE1 PHE 98 -12.710 6.733 -3.506 723 HE2 PHE 98 HE2 PHE 98 -10.669 7.331 -7.200 724 HZ PHE 98 HZ PHE 98 -10.692 7.418 -4.740 725 H GLY 99 HN GLY 99 -18.065 5.421 -7.304 726 HA2 GLY 99 HA2 GLY 99 -20.036 5.120 -8.599 727 HA3 GLY 99 HA1 GLY 99 -19.149 5.642 -10.023 728 H ASP 100 HN ASP 100 -20.792 3.192 -9.339 729 HA ASP 100 HA ASP 100 -18.887 1.247 -10.399 730 HB2 ASP 100 HB2 ASP 100 -19.901 -0.532 -8.905 731 HB3 ASP 100 HB1 ASP 100 -18.880 0.645 -8.092 732 H GLU 101 HN GLU 101 -19.821 1.517 -12.396 733 HA GLU 101 HA GLU 101 -22.648 0.972 -12.792 734 HB2 GLU 101 HB2 GLU 101 -20.416 1.775 -14.648 735 HB3 GLU 101 HB1 GLU 101 -22.006 1.321 -15.244 736 HG2 GLU 101 HG2 GLU 101 -23.013 3.131 -13.956 737 HG3 GLU 101 HG1 GLU 101 -21.423 3.581 -13.340 738 H ASP 102 HN ASP 102 -19.693 -0.774 -12.861 739 HA ASP 102 HA ASP 102 -20.606 -2.854 -14.658 740 HB2 ASP 102 HB2 ASP 102 -18.107 -2.483 -13.018 741 HB3 ASP 102 HB1 ASP 102 -18.431 -3.963 -13.914 742 H GLU 103 HN GLU 103 -20.850 -2.215 -11.305 743 HA GLU 103 HA GLU 103 -21.103 -4.992 -10.501 744 HB2 GLU 103 HB2 GLU 103 -21.324 -2.381 -9.022 745 HB3 GLU 103 HB1 GLU 103 -21.748 -3.912 -8.268 746 HG2 GLU 103 HG2 GLU 103 -19.468 -4.733 -8.715 747 HG3 GLU 103 HG1 GLU 103 -19.057 -3.157 -9.390 748 H ARG 104 HN ARG 104 -23.192 -2.523 -11.651 749 HA ARG 104 HA ARG 104 -25.584 -3.667 -10.470 750 HB2 ARG 104 HB2 ARG 104 -26.780 -1.850 -11.690 751 HB3 ARG 104 HB1 ARG 104 -25.543 -1.276 -10.587 752 HG2 ARG 104 HG2 ARG 104 -24.034 -0.881 -12.470 753 HG3 ARG 104 HG1 ARG 104 -25.265 -1.476 -13.584 754 HD2 ARG 104 HD2 ARG 104 -26.771 0.327 -12.844 755 HD3 ARG 104 HD1 ARG 104 -25.499 0.935 -11.785 756 HE ARG 104 HE ARG 104 -24.435 0.797 -14.348 757 HH11 ARG 104 HH11 ARG 104 -26.975 2.594 -12.718 758 HH12 ARG 104 HH12 ARG 104 -26.834 3.966 -13.767 759 HH21 ARG 104 HH21 ARG 104 -24.269 2.603 -15.706 760 HH22 ARG 104 HH22 ARG 104 -25.304 3.969 -15.456 761 H LEU 105 HN LEU 105 -23.892 -3.732 -13.518 762 HA LEU 105 HA LEU 105 -26.101 -5.078 -14.875 763 HB2 LEU 105 HB2 LEU 105 -24.522 -3.241 -15.865 764 HB3 LEU 105 HB1 LEU 105 -23.410 -4.574 -16.101 765 HG LEU 105 HG LEU 105 -26.173 -4.896 -17.168 766 HD11 LEU 105 HD11 LEU 105 -24.079 -3.153 -18.457 767 HD12 LEU 105 HD12 LEU 105 -25.641 -2.623 -17.831 768 HD13 LEU 105 HD13 LEU 105 -25.569 -3.703 -19.223 769 HD21 LEU 105 HD21 LEU 105 -23.447 -5.596 -18.257 770 HD22 LEU 105 HD22 LEU 105 -25.003 -6.099 -18.917 771 HD23 LEU 105 HD23 LEU 105 -24.485 -6.685 -17.336 772 H ILE 106 HN ILE 106 -22.806 -5.685 -13.772 773 HA ILE 106 HA ILE 106 -21.460 -7.499 -13.681 774 HB ILE 106 HB ILE 106 -22.428 -9.504 -12.527 775 HG12 ILE 106 HG12 ILE 106 -24.782 -8.611 -11.432 776 HG13 ILE 106 HG11 ILE 106 -24.956 -8.106 -13.108 777 HG21 ILE 106 HG21 ILE 106 -22.893 -6.799 -11.294 778 HG22 ILE 106 HG22 ILE 106 -21.383 -7.709 -11.312 779 HG23 ILE 106 HG23 ILE 106 -22.769 -8.319 -10.407 780 HD11 ILE 106 HD11 ILE 106 -24.565 -10.398 -13.840 781 HD12 ILE 106 HD12 ILE 106 -25.935 -10.293 -12.736 782 HD13 ILE 106 HD13 ILE 106 -24.385 -10.903 -12.160 783 H THR 107 HN THR 107 -20.537 -8.468 -15.291 784 HA THR 107 HA THR 107 -22.107 -10.335 -16.952 785 HB THR 107 HB THR 107 -20.475 -9.750 -18.820 786 HG1 THR 107 HG1 THR 107 -18.946 -8.419 -18.228 787 HG21 THR 107 HG21 THR 107 -22.409 -7.639 -17.859 788 HG22 THR 107 HG22 THR 107 -22.787 -9.017 -18.893 789 HG23 THR 107 HG23 THR 107 -21.735 -7.732 -19.486 790 H ARG 108 HN ARG 108 -21.143 -12.245 -17.538 791 HA ARG 108 HA ARG 108 -18.612 -12.883 -16.172 792 HB2 ARG 108 HB2 ARG 108 -20.992 -14.590 -16.880 793 HB3 ARG 108 HB1 ARG 108 -19.438 -15.293 -16.458 794 HG2 ARG 108 HG2 ARG 108 -19.532 -14.162 -14.280 795 HG3 ARG 108 HG1 ARG 108 -21.113 -13.505 -14.706 796 HD2 ARG 108 HD2 ARG 108 -22.008 -15.766 -14.901 797 HD3 ARG 108 HD1 ARG 108 -20.425 -16.436 -14.511 798 HE ARG 108 HE ARG 108 -21.318 -14.660 -12.480 799 HH11 ARG 108 HH11 ARG 108 -21.796 -17.930 -13.671 800 HH12 ARG 108 HH12 ARG 108 -22.305 -18.538 -12.132 801 HH21 ARG 108 HH21 ARG 108 -21.985 -15.480 -10.476 802 HH22 ARG 108 HH22 ARG 108 -22.412 -17.152 -10.324 803 H LEU 109 HN LEU 109 -17.044 -14.128 -17.227 804 HA LEU 109 HA LEU 109 -17.285 -14.202 -20.162 805 HB2 LEU 109 HB2 LEU 109 -14.801 -13.940 -20.228 806 HB3 LEU 109 HB1 LEU 109 -15.670 -12.538 -19.644 807 HG LEU 109 HG LEU 109 -14.581 -14.434 -17.612 808 HD11 LEU 109 HD11 LEU 109 -12.892 -12.463 -19.143 809 HD12 LEU 109 HD12 LEU 109 -12.729 -14.218 -19.169 810 HD13 LEU 109 HD13 LEU 109 -12.399 -13.323 -17.686 811 HD21 LEU 109 HD21 LEU 109 -14.787 -11.427 -17.769 812 HD22 LEU 109 HD22 LEU 109 -14.231 -12.352 -16.375 813 HD23 LEU 109 HD23 LEU 109 -15.901 -12.499 -16.921 814 H GLU 110 HN GLU 110 -16.669 -16.012 -21.246 815 HA GLU 110 HA GLU 110 -15.960 -18.353 -19.605 816 HB2 GLU 110 HB2 GLU 110 -18.187 -18.050 -21.127 817 HB3 GLU 110 HB1 GLU 110 -17.101 -18.771 -22.305 818 HG2 GLU 110 HG2 GLU 110 -17.551 -19.991 -19.600 819 HG3 GLU 110 HG1 GLU 110 -18.600 -20.331 -20.972 820 H ASN 111 HN ASN 111 -14.414 -19.801 -20.354 821 HA ASN 111 HA ASN 111 -12.622 -18.746 -22.440 822 HB2 ASN 111 HB2 ASN 111 -12.070 -20.486 -20.032 823 HB3 ASN 111 HB1 ASN 111 -10.894 -20.230 -21.317 824 HD21 ASN 111 HD21 ASN 111 -9.952 -18.204 -21.568 825 HD22 ASN 111 HD22 ASN 111 -10.004 -17.009 -20.322 826 H THR 112 HN THR 112 -11.694 -20.167 -23.956 827 HA THR 112 HA THR 112 -13.341 -22.525 -24.514 828 HB THR 112 HB THR 112 -12.172 -22.451 -26.775 829 HG1 THR 112 HG1 THR 112 -10.753 -20.583 -25.537 830 HG21 THR 112 HG21 THR 112 -13.578 -20.621 -27.617 831 HG22 THR 112 HG22 THR 112 -13.837 -20.063 -25.963 832 HG23 THR 112 HG23 THR 112 -14.456 -21.635 -26.471 833 H GLN 113 HN GLN 113 -9.897 -21.575 -24.545 834 HA GLN 113 HA GLN 113 -7.952 -22.688 -24.208 835 HB2 GLN 113 HB2 GLN 113 -9.765 -24.503 -22.618 836 HB3 GLN 113 HB1 GLN 113 -8.027 -24.746 -22.712 837 HG2 GLN 113 HG2 GLN 113 -7.665 -22.529 -21.748 838 HG3 GLN 113 HG1 GLN 113 -9.409 -22.289 -21.653 839 HE21 GLN 113 HE21 GLN 113 -6.667 -23.974 -20.347 840 HE22 GLN 113 HE22 GLN 113 -7.446 -24.553 -18.918 841 H PHE 114 HN PHE 114 -6.756 -23.771 -25.599 842 HA PHE 114 HA PHE 114 -8.007 -25.930 -27.160 843 HB2 PHE 114 HB2 PHE 114 -7.086 -23.744 -28.254 844 HB3 PHE 114 HB1 PHE 114 -5.510 -24.486 -28.008 845 HD1 PHE 114 HD1 PHE 114 -8.657 -24.642 -29.858 846 HD2 PHE 114 HD2 PHE 114 -4.845 -26.442 -29.271 847 HE1 PHE 114 HE1 PHE 114 -8.935 -25.904 -31.952 848 HE2 PHE 114 HE2 PHE 114 -5.116 -27.707 -31.363 849 HZ PHE 114 HZ PHE 114 -7.163 -27.440 -32.706 850 H ASP 115 HN ASP 115 -7.388 -27.913 -26.684 851 HA ASP 115 HA ASP 115 -4.600 -28.445 -25.937 852 HB2 ASP 115 HB2 ASP 115 -7.041 -29.367 -24.411 853 HB3 ASP 115 HB1 ASP 115 -5.458 -30.115 -24.230 854 H ALA 116 HN ALA 116 -3.845 -30.517 -26.444 855 HA ALA 116 HA ALA 116 -5.581 -32.071 -28.253 856 HB1 ALA 116 HB1 ALA 116 -3.786 -30.922 -29.461 857 HB2 ALA 116 HB2 ALA 116 -3.594 -32.674 -29.529 858 HB3 ALA 116 HB3 ALA 116 -2.590 -31.717 -28.438 859 H ALA 117 HN ALA 117 -6.047 -34.038 -27.575 860 HA ALA 117 HA ALA 117 -4.382 -35.284 -25.503 861 HB1 ALA 117 HB1 ALA 117 -6.742 -34.944 -24.944 862 HB2 ALA 117 HB2 ALA 117 -6.321 -36.656 -24.978 863 HB3 ALA 117 HB3 ALA 117 -7.209 -35.940 -26.323 864 H ASN 118 HN ASN 118 -5.962 -35.987 -28.605 865 HA ASN 118 HA ASN 118 -4.489 -38.516 -28.802 866 HB2 ASN 118 HB2 ASN 118 -7.054 -38.195 -29.267 867 HB3 ASN 118 HB1 ASN 118 -6.503 -37.602 -30.829 868 HD21 ASN 118 HD21 ASN 118 -5.496 -39.018 -32.257 869 HD22 ASN 118 HD22 ASN 118 -5.604 -40.733 -32.078 870 H GLY 119 HN GLY 119 -3.233 -39.025 -30.626 871 HA2 GLY 119 HA2 GLY 119 -2.566 -36.856 -32.482 872 HA3 GLY 119 HA1 GLY 119 -1.271 -37.521 -31.498 873 H ILE 120 HN ILE 120 -1.737 -37.503 -34.438 874 HA ILE 120 HA ILE 120 -1.817 -40.400 -34.942 875 HB ILE 120 HB ILE 120 -2.076 -39.696 -37.398 876 HG12 ILE 120 HG12 ILE 120 -3.495 -37.427 -37.372 877 HG13 ILE 120 HG11 ILE 120 -2.407 -37.054 -36.042 878 HG21 ILE 120 HG21 ILE 120 -3.842 -40.731 -36.120 879 HG22 ILE 120 HG22 ILE 120 -4.505 -39.469 -37.157 880 HG23 ILE 120 HG23 ILE 120 -4.294 -39.172 -35.432 881 HD11 ILE 120 HD11 ILE 120 -1.585 -37.784 -38.844 882 HD12 ILE 120 HD12 ILE 120 -0.491 -37.412 -37.511 883 HD13 ILE 120 HD13 ILE 120 -1.572 -36.168 -38.138 884 H ASP 121 HN ASP 121 -0.243 -41.406 -36.178 885 HA ASP 121 HA ASP 121 2.197 -39.851 -36.726 886 HB2 ASP 121 HB2 ASP 121 1.982 -42.533 -35.354 887 HB3 ASP 121 HB1 ASP 121 3.488 -41.925 -36.036 888 H ASP 122 HN ASP 122 3.053 -40.138 -38.680 889 HA ASP 122 HA ASP 122 1.886 -42.199 -40.419 890 HB2 ASP 122 HB2 ASP 122 3.283 -39.593 -41.035 891 HB3 ASP 122 HB1 ASP 122 2.898 -40.786 -42.271 892 H GLU 123 HN GLU 123 3.120 -43.641 -41.545 893 HA GLU 123 HA GLU 123 4.816 -45.058 -42.030 894 HB2 GLU 123 HB2 GLU 123 6.470 -42.554 -41.674 895 HB3 GLU 123 HB1 GLU 123 7.161 -44.087 -42.185 896 HG2 GLU 123 HG2 GLU 123 4.878 -42.836 -43.672 897 HG3 GLU 123 HG1 GLU 123 6.547 -42.362 -43.979 Start of MODEL 18 1 H TYR 1 HT1 TYR 1 -29.942 -10.139 -0.487 2 HA TYR 1 HA TYR 1 -29.668 -8.110 0.780 3 HB2 TYR 1 HB2 TYR 1 -31.614 -9.832 1.074 4 HB3 TYR 1 HB1 TYR 1 -30.889 -10.121 2.650 5 HD1 TYR 1 HD2 TYR 1 -32.693 -7.708 0.564 6 HD2 TYR 1 HD1 TYR 1 -30.965 -8.423 4.386 7 HE1 TYR 1 HE2 TYR 1 -33.895 -5.763 1.466 8 HE2 TYR 1 HE1 TYR 1 -32.164 -6.479 5.297 9 HH TYR 1 HH TYR 1 -34.685 -4.930 3.641 10 H LEU 2 HN LEU 2 -28.423 -10.981 2.452 11 HA LEU 2 HA LEU 2 -27.122 -9.276 4.452 12 HB2 LEU 2 HB2 LEU 2 -27.557 -12.262 4.341 13 HB3 LEU 2 HB1 LEU 2 -26.623 -11.464 5.590 14 HG LEU 2 HG LEU 2 -29.442 -10.580 5.147 15 HD11 LEU 2 HD11 LEU 2 -29.622 -13.001 5.170 16 HD12 LEU 2 HD12 LEU 2 -30.241 -12.323 6.674 17 HD13 LEU 2 HD13 LEU 2 -28.648 -13.077 6.637 18 HD21 LEU 2 HD21 LEU 2 -29.343 -10.221 7.565 19 HD22 LEU 2 HD22 LEU 2 -28.025 -9.387 6.740 20 HD23 LEU 2 HD23 LEU 2 -27.714 -10.895 7.601 21 H ARG 3 HN ARG 3 -25.022 -8.859 4.390 22 HA ARG 3 HA ARG 3 -23.372 -9.642 2.230 23 HB2 ARG 3 HB2 ARG 3 -22.793 -8.244 4.834 24 HB3 ARG 3 HB1 ARG 3 -21.537 -8.572 3.650 25 HG2 ARG 3 HG2 ARG 3 -22.726 -7.245 1.994 26 HG3 ARG 3 HG1 ARG 3 -24.022 -6.944 3.153 27 HD2 ARG 3 HD2 ARG 3 -22.427 -5.807 4.627 28 HD3 ARG 3 HD1 ARG 3 -21.142 -6.099 3.455 29 HE ARG 3 HE ARG 3 -23.089 -4.773 2.056 30 HH11 ARG 3 HH11 ARG 3 -21.208 -4.047 4.929 31 HH12 ARG 3 HH12 ARG 3 -21.251 -2.337 4.665 32 HH21 ARG 3 HH21 ARG 3 -23.134 -2.530 1.730 33 HH22 ARG 3 HH22 ARG 3 -22.342 -1.478 2.855 34 H LEU 4 HN LEU 4 -21.639 -11.025 2.086 35 HA LEU 4 HA LEU 4 -21.196 -12.879 4.330 36 HB2 LEU 4 HB2 LEU 4 -22.649 -13.711 2.325 37 HB3 LEU 4 HB1 LEU 4 -21.117 -13.829 1.486 38 HG LEU 4 HG LEU 4 -21.344 -15.175 4.136 39 HD11 LEU 4 HD11 LEU 4 -22.325 -17.162 3.085 40 HD12 LEU 4 HD12 LEU 4 -22.569 -16.246 1.598 41 HD13 LEU 4 HD13 LEU 4 -23.435 -15.791 3.068 42 HD21 LEU 4 HD21 LEU 4 -20.029 -15.909 1.520 43 HD22 LEU 4 HD22 LEU 4 -19.904 -16.816 3.027 44 HD23 LEU 4 HD23 LEU 4 -19.229 -15.191 2.918 45 H PHE 5 HN PHE 5 -19.918 -11.426 1.369 46 HA PHE 5 HA PHE 5 -17.219 -12.358 1.955 47 HB2 PHE 5 HB2 PHE 5 -18.502 -10.985 -0.385 48 HB3 PHE 5 HB1 PHE 5 -16.749 -11.006 -0.218 49 HD1 PHE 5 HD2 PHE 5 -19.741 -13.028 -0.824 50 HD2 PHE 5 HD1 PHE 5 -15.498 -13.044 -0.492 51 HE1 PHE 5 HE2 PHE 5 -19.671 -15.261 -1.855 52 HE2 PHE 5 HE1 PHE 5 -15.422 -15.275 -1.523 53 HZ PHE 5 HZ PHE 5 -17.509 -16.387 -2.204 54 H GLY 6 HN GLY 6 -15.485 -11.066 2.410 55 HA2 GLY 6 HA2 GLY 6 -15.936 -8.193 2.833 56 HA3 GLY 6 HA1 GLY 6 -15.346 -9.166 4.172 57 H GLN 7 HN GLN 7 -13.213 -9.389 4.398 58 HA GLN 7 HA GLN 7 -11.479 -9.011 2.056 59 HB2 GLN 7 HB2 GLN 7 -11.747 -7.054 3.952 60 HB3 GLN 7 HB1 GLN 7 -10.376 -7.966 4.576 61 HG2 GLN 7 HG2 GLN 7 -9.332 -6.399 3.268 62 HG3 GLN 7 HG1 GLN 7 -9.466 -7.757 2.153 63 HE21 GLN 7 HE21 GLN 7 -10.581 -4.569 2.946 64 HE22 GLN 7 HE22 GLN 7 -11.416 -4.267 1.463 65 H ASP 8 HN ASP 8 -9.432 -9.993 2.191 66 HA ASP 8 HA ASP 8 -9.298 -12.230 4.104 67 HB2 ASP 8 HB2 ASP 8 -8.202 -11.894 1.315 68 HB3 ASP 8 HB1 ASP 8 -7.729 -13.220 2.370 69 H GLY 9 HN GLY 9 -7.910 -9.264 3.378 70 HA2 GLY 9 HA2 GLY 9 -5.301 -10.005 4.500 71 HA3 GLY 9 HA1 GLY 9 -5.599 -8.608 3.481 72 H LEU 10 HN LEU 10 -5.648 -9.891 6.648 73 HA LEU 10 HA LEU 10 -6.835 -7.549 7.877 74 HB2 LEU 10 HB2 LEU 10 -5.614 -10.063 9.003 75 HB3 LEU 10 HB1 LEU 10 -6.155 -8.742 10.021 76 HG LEU 10 HG LEU 10 -8.382 -9.162 8.527 77 HD11 LEU 10 HD11 LEU 10 -7.416 -11.078 7.376 78 HD12 LEU 10 HD12 LEU 10 -8.768 -11.565 8.398 79 HD13 LEU 10 HD13 LEU 10 -7.112 -11.865 8.925 80 HD21 LEU 10 HD21 LEU 10 -8.388 -8.929 10.907 81 HD22 LEU 10 HD22 LEU 10 -7.559 -10.474 11.110 82 HD23 LEU 10 HD23 LEU 10 -9.213 -10.434 10.496 83 H CYS 11 HN CYS 11 -5.673 -6.296 9.576 84 HA CYS 11 HA CYS 11 -3.282 -5.200 8.556 85 HB2 CYS 11 HB2 CYS 11 -4.905 -3.966 9.955 86 HB3 CYS 11 HB1 CYS 11 -4.395 -4.915 11.346 87 H ALA 12 HN ALA 12 -1.254 -5.632 8.813 88 HA ALA 12 HA ALA 12 -0.306 -7.964 10.104 89 HB1 ALA 12 HB1 ALA 12 0.726 -6.909 8.114 90 HB2 ALA 12 HB2 ALA 12 1.877 -7.293 9.395 91 HB3 ALA 12 HB3 ALA 12 1.341 -5.629 9.160 92 H SER 13 HN SER 13 -0.543 -4.643 11.196 93 HA SER 13 HA SER 13 1.139 -5.154 13.525 94 HB2 SER 13 HB2 SER 13 1.355 -3.012 12.259 95 HB3 SER 13 HB1 SER 13 -0.285 -2.595 12.754 96 HG SER 13 HG SER 13 1.994 -2.270 14.103 97 H CYS 14 HN CYS 14 -2.199 -3.985 12.909 98 HA CYS 14 HA CYS 14 -2.898 -4.852 15.631 99 HB2 CYS 14 HB2 CYS 14 -4.555 -3.209 15.725 100 HB3 CYS 14 HB1 CYS 14 -3.257 -2.410 14.853 101 H ASP 15 HN ASP 15 -5.081 -5.796 15.928 102 HA ASP 15 HA ASP 15 -5.569 -7.794 13.865 103 HB2 ASP 15 HB2 ASP 15 -5.361 -8.208 16.434 104 HB3 ASP 15 HB1 ASP 15 -7.034 -7.662 16.491 105 H LYS 16 HN LYS 16 -6.305 -5.595 12.714 106 HA LYS 16 HA LYS 16 -9.238 -5.448 12.973 107 HB2 LYS 16 HB2 LYS 16 -7.233 -3.278 12.464 108 HB3 LYS 16 HB1 LYS 16 -8.895 -3.103 11.913 109 HG2 LYS 16 HG2 LYS 16 -9.597 -3.513 14.273 110 HG3 LYS 16 HG1 LYS 16 -7.894 -3.411 14.715 111 HD2 LYS 16 HD2 LYS 16 -7.788 -1.150 13.786 112 HD3 LYS 16 HD1 LYS 16 -9.495 -1.251 13.350 113 HE2 LYS 16 HE2 LYS 16 -10.082 -1.503 15.711 114 HE3 LYS 16 HE1 LYS 16 -8.376 -1.410 16.147 115 HZ1 LYS 16 HZ1 LYS 16 -8.307 0.832 15.241 116 HZ2 LYS 16 HZ2 LYS 16 -9.477 0.713 16.456 117 HZ3 LYS 16 HZ3 LYS 16 -9.946 0.742 14.831 118 H ARG 17 HN ARG 17 -10.376 -5.954 11.230 119 HA ARG 17 HA ARG 17 -9.184 -6.982 8.886 120 HB2 ARG 17 HB2 ARG 17 -12.054 -6.128 9.321 121 HB3 ARG 17 HB1 ARG 17 -11.476 -7.155 8.018 122 HG2 ARG 17 HG2 ARG 17 -10.673 -8.736 9.852 123 HG3 ARG 17 HG1 ARG 17 -11.670 -7.780 10.945 124 HD2 ARG 17 HD2 ARG 17 -13.631 -8.232 9.550 125 HD3 ARG 17 HD1 ARG 17 -12.635 -9.198 8.464 126 HE ARG 17 HE ARG 17 -12.292 -10.296 10.965 127 HH11 ARG 17 HH11 ARG 17 -15.027 -9.775 8.824 128 HH12 ARG 17 HH12 ARG 17 -15.900 -11.147 9.421 129 HH21 ARG 17 HH21 ARG 17 -13.453 -12.086 11.729 130 HH22 ARG 17 HH22 ARG 17 -15.009 -12.453 11.064 131 H ILE 18 HN ILE 18 -8.676 -6.097 6.974 132 HA ILE 18 HA ILE 18 -8.697 -3.249 6.657 133 HB ILE 18 HB ILE 18 -7.664 -5.558 5.047 134 HG12 ILE 18 HG12 ILE 18 -6.272 -3.013 5.911 135 HG13 ILE 18 HG11 ILE 18 -6.414 -4.413 6.966 136 HG21 ILE 18 HG21 ILE 18 -7.832 -2.744 3.959 137 HG22 ILE 18 HG22 ILE 18 -8.667 -4.164 3.327 138 HG23 ILE 18 HG23 ILE 18 -6.910 -4.068 3.245 139 HD11 ILE 18 HD11 ILE 18 -5.005 -4.355 4.305 140 HD12 ILE 18 HD12 ILE 18 -5.136 -5.747 5.381 141 HD13 ILE 18 HD13 ILE 18 -4.240 -4.317 5.895 142 H ARG 19 HN ARG 19 -10.132 -1.990 5.610 143 HA ARG 19 HA ARG 19 -12.211 -3.242 3.944 144 HB2 ARG 19 HB2 ARG 19 -12.586 -1.299 6.222 145 HB3 ARG 19 HB1 ARG 19 -13.809 -1.522 4.982 146 HG2 ARG 19 HG2 ARG 19 -12.769 -3.911 6.434 147 HG3 ARG 19 HG1 ARG 19 -13.923 -2.848 7.238 148 HD2 ARG 19 HD2 ARG 19 -15.485 -3.141 5.368 149 HD3 ARG 19 HD1 ARG 19 -14.330 -4.214 4.577 150 HE ARG 19 HE ARG 19 -14.752 -5.302 7.064 151 HH11 ARG 19 HH11 ARG 19 -16.803 -4.532 4.319 152 HH12 ARG 19 HH12 ARG 19 -17.934 -5.799 4.663 153 HH21 ARG 19 HH21 ARG 19 -16.245 -6.952 7.495 154 HH22 ARG 19 HH22 ARG 19 -17.618 -7.166 6.460 155 H ALA 20 HN ALA 20 -13.654 -1.151 3.099 156 HA ALA 20 HA ALA 20 -12.197 -0.013 1.023 157 HB1 ALA 20 HB1 ALA 20 -14.776 1.022 2.182 158 HB2 ALA 20 HB2 ALA 20 -14.636 -0.311 1.036 159 HB3 ALA 20 HB3 ALA 20 -14.155 1.317 0.558 160 H TYR 21 HN TYR 21 -13.160 1.524 4.110 161 HA TYR 21 HA TYR 21 -11.982 4.060 3.496 162 HB2 TYR 21 HB2 TYR 21 -13.772 3.970 5.129 163 HB3 TYR 21 HB1 TYR 21 -12.877 2.829 6.121 164 HD1 TYR 21 HD1 TYR 21 -10.886 3.616 7.418 165 HD2 TYR 21 HD2 TYR 21 -13.408 6.334 5.325 166 HE1 TYR 21 HE1 TYR 21 -9.933 5.473 8.715 167 HE2 TYR 21 HE2 TYR 21 -12.470 8.202 6.623 168 HH TYR 21 HH TYR 21 -11.330 8.569 8.771 169 H GLU 22 HN GLU 22 -10.883 1.123 5.000 170 HA GLU 22 HA GLU 22 -8.608 2.021 6.346 171 HB2 GLU 22 HB2 GLU 22 -9.174 -0.667 5.096 172 HB3 GLU 22 HB1 GLU 22 -7.892 -0.351 6.243 173 HG2 GLU 22 HG2 GLU 22 -10.814 0.060 6.829 174 HG3 GLU 22 HG1 GLU 22 -9.932 -1.409 7.219 175 H MET 23 HN MET 23 -9.069 1.154 2.972 176 HA MET 23 HA MET 23 -7.618 0.974 1.180 177 HB2 MET 23 HB2 MET 23 -7.140 3.738 2.271 178 HB3 MET 23 HB1 MET 23 -6.546 3.214 0.707 179 HG2 MET 23 HG2 MET 23 -8.832 2.794 -0.030 180 HG3 MET 23 HG1 MET 23 -9.438 3.302 1.544 181 HE1 MET 23 HE1 MET 23 -9.081 7.097 1.569 182 HE2 MET 23 HE2 MET 23 -8.221 5.843 2.465 183 HE3 MET 23 HE3 MET 23 -9.957 5.699 2.192 184 H THR 24 HN THR 24 -6.009 -0.439 1.204 185 HA THR 24 HA THR 24 -3.483 0.362 2.486 186 HB THR 24 HB THR 24 -3.023 -2.102 2.786 187 HG1 THR 24 HG1 THR 24 -5.768 -2.200 2.065 188 HG21 THR 24 HG21 THR 24 -4.228 -2.247 4.868 189 HG22 THR 24 HG22 THR 24 -5.403 -1.052 4.321 190 HG23 THR 24 HG23 THR 24 -3.733 -0.573 4.625 191 H MET 25 HN MET 25 -1.631 0.099 1.409 192 HA MET 25 HA MET 25 -1.817 -0.582 -1.427 193 HB2 MET 25 HB2 MET 25 0.570 0.417 -1.440 194 HB3 MET 25 HB1 MET 25 -0.787 1.507 -1.227 195 HG2 MET 25 HG2 MET 25 0.965 2.157 0.261 196 HG3 MET 25 HG1 MET 25 -0.359 1.495 1.216 197 HE1 MET 25 HE1 MET 25 3.445 1.333 0.510 198 HE2 MET 25 HE2 MET 25 2.803 0.271 -0.742 199 HE3 MET 25 HE3 MET 25 3.781 -0.397 0.564 200 H ARG 26 HN ARG 26 0.175 -1.692 -2.384 201 HA ARG 26 HA ARG 26 0.575 -4.174 -0.946 202 HB2 ARG 26 HB2 ARG 26 0.148 -3.747 -3.530 203 HB3 ARG 26 HB1 ARG 26 1.900 -3.614 -3.566 204 HG2 ARG 26 HG2 ARG 26 2.076 -5.857 -2.576 205 HG3 ARG 26 HG1 ARG 26 0.317 -5.987 -2.591 206 HD2 ARG 26 HD2 ARG 26 1.941 -5.474 -5.072 207 HD3 ARG 26 HD1 ARG 26 1.548 -7.096 -4.509 208 HE ARG 26 HE ARG 26 -0.849 -5.739 -4.638 209 HH11 ARG 26 HH11 ARG 26 1.653 -6.628 -6.936 210 HH12 ARG 26 HH12 ARG 26 0.554 -6.715 -8.273 211 HH21 ARG 26 HH21 ARG 26 -2.268 -5.859 -6.402 212 HH22 ARG 26 HH22 ARG 26 -1.663 -6.279 -7.969 213 H VAL 27 HN VAL 27 2.101 -4.293 0.536 214 HA VAL 27 HA VAL 27 4.591 -2.769 0.242 215 HB VAL 27 HB VAL 27 4.020 -4.399 2.703 216 HG11 VAL 27 HG11 VAL 27 5.062 -2.366 3.780 217 HG12 VAL 27 HG12 VAL 27 5.406 -1.782 2.152 218 HG13 VAL 27 HG13 VAL 27 6.116 -3.294 2.716 219 HG21 VAL 27 HG21 VAL 27 2.785 -1.685 2.243 220 HG22 VAL 27 HG22 VAL 27 2.671 -2.669 3.701 221 HG23 VAL 27 HG23 VAL 27 1.900 -3.208 2.208 222 H LYS 28 HN LYS 28 6.520 -4.179 1.406 223 HA LYS 28 HA LYS 28 7.385 -6.027 -0.454 224 HB2 LYS 28 HB2 LYS 28 8.211 -5.596 2.412 225 HB3 LYS 28 HB1 LYS 28 9.029 -6.744 1.362 226 HG2 LYS 28 HG2 LYS 28 9.630 -4.950 -0.164 227 HG3 LYS 28 HG1 LYS 28 8.767 -3.787 0.845 228 HD2 LYS 28 HD2 LYS 28 10.284 -4.285 2.706 229 HD3 LYS 28 HD1 LYS 28 11.149 -5.438 1.688 230 HE2 LYS 28 HE2 LYS 28 11.760 -3.637 0.159 231 HE3 LYS 28 HE1 LYS 28 10.874 -2.481 1.154 232 HZ1 LYS 28 HZ1 LYS 28 13.240 -4.056 2.021 233 HZ2 LYS 28 HZ2 LYS 28 12.391 -2.949 2.978 234 HZ3 LYS 28 HZ3 LYS 28 13.241 -2.413 1.619 235 H ASP 29 HN ASP 29 6.563 -7.022 2.911 236 HA ASP 29 HA ASP 29 5.546 -9.545 1.779 237 HB2 ASP 29 HB2 ASP 29 7.164 -9.080 4.280 238 HB3 ASP 29 HB1 ASP 29 6.267 -10.568 3.998 239 H LYS 30 HN LYS 30 5.223 -7.224 4.445 240 HA LYS 30 HA LYS 30 2.549 -8.313 5.026 241 HB2 LYS 30 HB2 LYS 30 4.368 -6.680 6.803 242 HB3 LYS 30 HB1 LYS 30 2.801 -7.325 7.255 243 HG2 LYS 30 HG2 LYS 30 3.590 -9.555 7.201 244 HG3 LYS 30 HG1 LYS 30 5.083 -9.074 6.393 245 HD2 LYS 30 HD2 LYS 30 5.481 -7.638 8.517 246 HD3 LYS 30 HD1 LYS 30 4.271 -8.695 9.252 247 HE2 LYS 30 HE2 LYS 30 5.613 -10.648 8.645 248 HE3 LYS 30 HE1 LYS 30 6.816 -9.591 7.905 249 HZ1 LYS 30 HZ1 LYS 30 6.063 -9.620 10.780 250 HZ2 LYS 30 HZ2 LYS 30 7.204 -8.588 10.076 251 HZ3 LYS 30 HZ3 LYS 30 7.487 -10.255 10.122 252 H VAL 31 HN VAL 31 0.787 -6.993 5.151 253 HA VAL 31 HA VAL 31 1.083 -4.285 4.046 254 HB VAL 31 HB VAL 31 -1.468 -5.904 4.306 255 HG11 VAL 31 HG11 VAL 31 -0.871 -3.410 2.719 256 HG12 VAL 31 HG12 VAL 31 -1.883 -3.517 4.160 257 HG13 VAL 31 HG13 VAL 31 -2.383 -4.319 2.670 258 HG21 VAL 31 HG21 VAL 31 -1.284 -6.339 1.901 259 HG22 VAL 31 HG22 VAL 31 0.064 -7.043 2.794 260 HG23 VAL 31 HG23 VAL 31 0.294 -5.550 1.884 261 H TYR 32 HN TYR 32 0.142 -2.478 5.088 262 HA TYR 32 HA TYR 32 -0.818 -2.923 7.837 263 HB2 TYR 32 HB2 TYR 32 1.171 -0.765 7.099 264 HB3 TYR 32 HB1 TYR 32 0.582 -1.157 8.710 265 HD1 TYR 32 HD2 TYR 32 2.762 -2.248 5.957 266 HD2 TYR 32 HD1 TYR 32 1.516 -3.002 9.952 267 HE1 TYR 32 HE2 TYR 32 4.646 -3.798 6.240 268 HE2 TYR 32 HE1 TYR 32 3.399 -4.554 10.252 269 HH TYR 32 HH TYR 32 5.992 -4.743 8.071 270 H HIS 33 HN HIS 33 -2.120 -1.307 8.735 271 HA HIS 33 HA HIS 33 -3.973 -0.037 7.022 272 HB2 HIS 33 HB2 HIS 33 -3.449 -0.077 9.957 273 HB3 HIS 33 HB1 HIS 33 -4.485 1.193 9.333 274 HD2 HIS 33 HD2 HIS 33 -6.449 -0.375 7.410 275 HE1 HIS 33 HE1 HIS 33 -7.030 -3.057 10.648 276 HE2 HIS 33 HE2 HIS 33 -7.897 -2.274 8.411 277 H LEU 34 HN LEU 34 -4.507 2.279 6.918 278 HA LEU 34 HA LEU 34 -2.257 3.913 6.373 279 HB2 LEU 34 HB2 LEU 34 -3.817 5.700 5.900 280 HB3 LEU 34 HB1 LEU 34 -4.377 4.206 5.185 281 HG LEU 34 HG LEU 34 -5.762 4.190 7.531 282 HD11 LEU 34 HD11 LEU 34 -4.918 6.390 8.176 283 HD12 LEU 34 HD12 LEU 34 -6.656 6.438 7.875 284 HD13 LEU 34 HD13 LEU 34 -5.534 7.073 6.673 285 HD21 LEU 34 HD21 LEU 34 -6.685 3.792 5.316 286 HD22 LEU 34 HD22 LEU 34 -6.562 5.510 4.938 287 HD23 LEU 34 HD23 LEU 34 -7.671 4.961 6.196 288 H GLU 35 HN GLU 35 -4.633 3.955 9.037 289 HA GLU 35 HA GLU 35 -3.444 6.033 10.540 290 HB2 GLU 35 HB2 GLU 35 -5.264 3.755 11.317 291 HB3 GLU 35 HB1 GLU 35 -4.712 4.949 12.481 292 HG2 GLU 35 HG2 GLU 35 -6.162 5.710 9.966 293 HG3 GLU 35 HG1 GLU 35 -7.003 5.297 11.454 294 H CYS 36 HN CYS 36 -2.826 2.580 10.388 295 HA CYS 36 HA CYS 36 -1.061 2.559 12.685 296 HB2 CYS 36 HB2 CYS 36 -1.463 0.356 10.654 297 HB3 CYS 36 HB1 CYS 36 -0.838 0.202 12.291 298 H PHE 37 HN PHE 37 -0.723 3.600 9.564 299 HA PHE 37 HA PHE 37 2.056 2.756 9.223 300 HB2 PHE 37 HB2 PHE 37 0.282 2.757 7.345 301 HB3 PHE 37 HB1 PHE 37 0.466 4.504 7.335 302 HD1 PHE 37 HD1 PHE 37 2.426 1.352 6.990 303 HD2 PHE 37 HD2 PHE 37 2.100 5.487 6.003 304 HE1 PHE 37 HE1 PHE 37 4.326 1.131 5.443 305 HE2 PHE 37 HE2 PHE 37 4.006 5.264 4.460 306 HZ PHE 37 HZ PHE 37 5.118 3.088 4.179 307 H LYS 38 HN LYS 38 2.205 4.111 11.346 308 HA LYS 38 HA LYS 38 2.939 6.885 10.660 309 HB2 LYS 38 HB2 LYS 38 1.857 5.807 13.274 310 HB3 LYS 38 HB1 LYS 38 2.460 7.443 13.048 311 HG2 LYS 38 HG2 LYS 38 0.703 7.814 11.349 312 HG3 LYS 38 HG1 LYS 38 0.072 6.205 11.694 313 HD2 LYS 38 HD2 LYS 38 -0.331 6.857 14.016 314 HD3 LYS 38 HD1 LYS 38 0.311 8.466 13.678 315 HE2 LYS 38 HE2 LYS 38 -1.476 8.835 12.049 316 HE3 LYS 38 HE1 LYS 38 -2.114 7.226 12.381 317 HZ1 LYS 38 HZ1 LYS 38 -1.914 9.446 14.344 318 HZ2 LYS 38 HZ2 LYS 38 -2.526 7.902 14.665 319 HZ3 LYS 38 HZ3 LYS 38 -3.334 8.924 13.585 320 H CYS 39 HN CYS 39 4.653 7.825 12.083 321 HA CYS 39 HA CYS 39 6.977 6.211 12.086 322 HB2 CYS 39 HB2 CYS 39 6.956 8.716 11.831 323 HB3 CYS 39 HB1 CYS 39 6.616 8.831 13.554 324 H ALA 40 HN ALA 40 8.223 5.387 13.759 325 HA ALA 40 HA ALA 40 6.746 4.655 16.162 326 HB1 ALA 40 HB1 ALA 40 9.536 3.766 15.509 327 HB2 ALA 40 HB2 ALA 40 8.133 3.051 14.715 328 HB3 ALA 40 HB3 ALA 40 8.306 2.942 16.468 329 H ALA 41 HN ALA 41 8.719 7.151 15.256 330 HA ALA 41 HA ALA 41 9.790 7.553 17.972 331 HB1 ALA 41 HB1 ALA 41 11.535 8.917 16.975 332 HB2 ALA 41 HB2 ALA 41 10.824 8.690 15.377 333 HB3 ALA 41 HB3 ALA 41 11.515 7.313 16.237 334 H CYS 42 HN CYS 42 8.231 9.150 15.213 335 HA CYS 42 HA CYS 42 7.618 11.488 16.896 336 HB2 CYS 42 HB2 CYS 42 7.223 11.294 13.916 337 HB3 CYS 42 HB1 CYS 42 7.310 12.745 14.907 338 H GLN 43 HN GLN 43 6.205 8.740 15.422 339 HA GLN 43 HA GLN 43 4.123 7.860 15.354 340 HB2 GLN 43 HB2 GLN 43 3.567 10.119 17.259 341 HB3 GLN 43 HB1 GLN 43 2.286 9.044 16.719 342 HG2 GLN 43 HG2 GLN 43 2.953 8.118 18.735 343 HG3 GLN 43 HG1 GLN 43 3.817 7.148 17.545 344 HE21 GLN 43 HE21 GLN 43 6.047 7.389 17.335 345 HE22 GLN 43 HE22 GLN 43 7.005 8.158 18.549 346 H LYS 44 HN LYS 44 4.995 10.567 13.834 347 HA LYS 44 HA LYS 44 2.588 11.678 12.829 348 HB2 LYS 44 HB2 LYS 44 5.072 12.548 12.787 349 HB3 LYS 44 HB1 LYS 44 5.130 11.713 11.244 350 HG2 LYS 44 HG2 LYS 44 3.251 13.063 10.446 351 HG3 LYS 44 HG1 LYS 44 3.201 13.903 11.998 352 HD2 LYS 44 HD2 LYS 44 5.479 14.721 11.624 353 HD3 LYS 44 HD1 LYS 44 5.527 13.879 10.074 354 HE2 LYS 44 HE2 LYS 44 3.658 15.246 9.278 355 HE3 LYS 44 HE1 LYS 44 3.612 16.084 10.827 356 HZ1 LYS 44 HZ1 LYS 44 4.805 17.365 9.166 357 HZ2 LYS 44 HZ2 LYS 44 5.893 16.093 8.926 358 HZ3 LYS 44 HZ3 LYS 44 5.850 16.898 10.412 359 H HIS 45 HN HIS 45 1.946 11.608 10.496 360 HA HIS 45 HA HIS 45 1.862 8.824 9.610 361 HB2 HIS 45 HB2 HIS 45 0.026 9.632 8.077 362 HB3 HIS 45 HB1 HIS 45 -0.318 9.788 9.793 363 HD1 HIS 45 HD1 HIS 45 -0.096 11.718 6.677 364 HD2 HIS 45 HD2 HIS 45 -0.198 12.516 10.754 365 HE1 HIS 45 HE1 HIS 45 -0.639 14.166 6.869 366 HE2 HIS 45 HE2 HIS 45 -0.611 14.644 9.343 367 H PHE 46 HN PHE 46 2.192 8.215 7.440 368 HA PHE 46 HA PHE 46 4.231 9.843 6.101 369 HB2 PHE 46 HB2 PHE 46 3.569 6.908 5.978 370 HB3 PHE 46 HB1 PHE 46 4.680 7.668 4.855 371 HD1 PHE 46 HD2 PHE 46 4.137 7.546 8.565 372 HD2 PHE 46 HD1 PHE 46 6.899 7.410 5.327 373 HE1 PHE 46 HE2 PHE 46 5.964 7.194 10.155 374 HE2 PHE 46 HE1 PHE 46 8.739 7.047 6.916 375 HZ PHE 46 HZ PHE 46 8.279 6.940 9.335 376 H SER 47 HN SER 47 4.142 10.313 3.952 377 HA SER 47 HA SER 47 1.555 9.919 2.601 378 HB2 SER 47 HB2 SER 47 1.953 12.271 3.390 379 HB3 SER 47 HB1 SER 47 3.354 12.340 2.321 380 HG SER 47 HG SER 47 0.646 12.401 1.719 381 H VAL 48 HN VAL 48 1.640 9.952 0.239 382 HA VAL 48 HA VAL 48 3.655 8.263 -0.806 383 HB VAL 48 HB VAL 48 2.596 8.803 -3.067 384 HG11 VAL 48 HG11 VAL 48 0.872 7.708 -0.851 385 HG12 VAL 48 HG12 VAL 48 2.054 6.810 -1.804 386 HG13 VAL 48 HG13 VAL 48 0.606 7.455 -2.576 387 HG21 VAL 48 HG21 VAL 48 0.587 10.237 -1.319 388 HG22 VAL 48 HG22 VAL 48 0.370 9.842 -3.025 389 HG23 VAL 48 HG23 VAL 48 1.623 10.982 -2.536 390 H GLY 49 HN GLY 49 5.336 8.595 -2.219 391 HA2 GLY 49 HA2 GLY 49 6.574 9.997 -3.756 392 HA3 GLY 49 HA1 GLY 49 6.045 11.393 -2.831 393 H ASP 50 HN ASP 50 6.622 10.180 -0.237 394 HA ASP 50 HA ASP 50 9.513 10.626 -0.228 395 HB2 ASP 50 HB2 ASP 50 7.445 10.614 1.973 396 HB3 ASP 50 HB1 ASP 50 9.173 10.734 2.286 397 H ARG 51 HN ARG 51 10.983 9.245 0.771 398 HA ARG 51 HA ARG 51 10.334 6.433 0.613 399 HB2 ARG 51 HB2 ARG 51 12.911 7.856 1.310 400 HB3 ARG 51 HB1 ARG 51 12.752 6.116 1.131 401 HG2 ARG 51 HG2 ARG 51 12.038 6.481 -1.219 402 HG3 ARG 51 HG1 ARG 51 12.377 8.199 -1.009 403 HD2 ARG 51 HD2 ARG 51 14.709 7.671 -0.486 404 HD3 ARG 51 HD1 ARG 51 14.368 5.954 -0.695 405 HE ARG 51 HE ARG 51 13.633 7.356 -3.027 406 HH11 ARG 51 HH11 ARG 51 16.526 6.322 -1.322 407 HH12 ARG 51 HH12 ARG 51 17.488 6.255 -2.762 408 HH21 ARG 51 HH21 ARG 51 14.912 7.260 -4.897 409 HH22 ARG 51 HH22 ARG 51 16.574 6.786 -4.782 410 H TYR 52 HN TYR 52 10.342 4.933 2.285 411 HA TYR 52 HA TYR 52 10.577 6.002 5.015 412 HB2 TYR 52 HB2 TYR 52 8.588 4.880 5.737 413 HB3 TYR 52 HB1 TYR 52 8.175 5.811 4.307 414 HD1 TYR 52 HD2 TYR 52 7.816 4.623 2.128 415 HD2 TYR 52 HD1 TYR 52 8.330 2.507 5.790 416 HE1 TYR 52 HE2 TYR 52 6.869 2.603 1.094 417 HE2 TYR 52 HE1 TYR 52 7.388 0.490 4.764 418 HH TYR 52 HH TYR 52 6.929 0.163 1.420 419 H LEU 53 HN LEU 53 11.069 4.466 6.660 420 HA LEU 53 HA LEU 53 12.430 2.059 5.650 421 HB2 LEU 53 HB2 LEU 53 13.894 3.763 6.701 422 HB3 LEU 53 HB1 LEU 53 12.965 3.630 8.179 423 HG LEU 53 HG LEU 53 13.716 1.029 7.767 424 HD11 LEU 53 HD11 LEU 53 15.139 1.600 5.891 425 HD12 LEU 53 HD12 LEU 53 16.111 1.061 7.260 426 HD13 LEU 53 HD13 LEU 53 16.002 2.778 6.878 427 HD21 LEU 53 HD21 LEU 53 15.252 1.380 9.596 428 HD22 LEU 53 HD22 LEU 53 13.790 2.332 9.856 429 HD23 LEU 53 HD23 LEU 53 15.265 3.116 9.291 430 H LEU 54 HN LEU 54 11.799 0.118 6.383 431 HA LEU 54 HA LEU 54 9.567 0.021 8.268 432 HB2 LEU 54 HB2 LEU 54 9.629 -1.126 5.939 433 HB3 LEU 54 HB1 LEU 54 10.641 -2.322 6.720 434 HG LEU 54 HG LEU 54 8.019 -1.695 7.992 435 HD11 LEU 54 HD11 LEU 54 8.326 -3.357 5.496 436 HD12 LEU 54 HD12 LEU 54 7.410 -1.858 5.654 437 HD13 LEU 54 HD13 LEU 54 6.890 -3.306 6.517 438 HD21 LEU 54 HD21 LEU 54 9.558 -3.280 9.035 439 HD22 LEU 54 HD22 LEU 54 9.577 -4.244 7.559 440 HD23 LEU 54 HD23 LEU 54 8.088 -4.090 8.491 441 H ILE 55 HN ILE 55 10.098 -0.184 10.329 442 HA ILE 55 HA ILE 55 12.552 -1.543 11.096 443 HB ILE 55 HB ILE 55 11.518 0.722 12.076 444 HG12 ILE 55 HG12 ILE 55 12.858 0.076 14.253 445 HG13 ILE 55 HG11 ILE 55 13.282 -1.347 13.309 446 HG21 ILE 55 HG21 ILE 55 10.504 0.477 14.233 447 HG22 ILE 55 HG22 ILE 55 10.609 -1.281 14.132 448 HG23 ILE 55 HG23 ILE 55 9.527 -0.398 13.053 449 HD11 ILE 55 HD11 ILE 55 14.322 -0.009 11.631 450 HD12 ILE 55 HD12 ILE 55 14.934 0.511 13.202 451 HD13 ILE 55 HD13 ILE 55 13.718 1.476 12.366 452 H ASN 56 HN ASN 56 12.278 -2.834 13.296 453 HA ASN 56 HA ASN 56 11.280 -5.324 12.758 454 HB2 ASN 56 HB2 ASN 56 11.532 -4.078 15.500 455 HB3 ASN 56 HB1 ASN 56 11.485 -5.801 15.149 456 HD21 ASN 56 HD21 ASN 56 13.342 -2.870 14.887 457 HD22 ASN 56 HD22 ASN 56 14.867 -3.621 14.594 458 H SER 57 HN SER 57 9.481 -2.662 14.254 459 HA SER 57 HA SER 57 7.104 -4.401 14.284 460 HB2 SER 57 HB2 SER 57 7.756 -2.133 16.176 461 HB3 SER 57 HB1 SER 57 6.251 -3.051 16.175 462 HG SER 57 HG SER 57 8.798 -3.799 17.012 463 H ASP 58 HN ASP 58 7.967 -0.912 14.138 464 HA ASP 58 HA ASP 58 5.679 -0.543 12.311 465 HB2 ASP 58 HB2 ASP 58 6.703 1.239 14.520 466 HB3 ASP 58 HB1 ASP 58 5.633 1.837 13.257 467 H ILE 59 HN ILE 59 6.211 2.146 11.640 468 HA ILE 59 HA ILE 59 8.644 1.877 9.993 469 HB ILE 59 HB ILE 59 6.181 3.572 9.461 470 HG12 ILE 59 HG12 ILE 59 6.261 1.887 7.371 471 HG13 ILE 59 HG11 ILE 59 6.977 0.846 8.595 472 HG21 ILE 59 HG21 ILE 59 8.030 4.688 8.486 473 HG22 ILE 59 HG22 ILE 59 7.190 3.848 7.185 474 HG23 ILE 59 HG23 ILE 59 8.685 3.182 7.845 475 HD11 ILE 59 HD11 ILE 59 4.320 2.234 8.871 476 HD12 ILE 59 HD12 ILE 59 5.024 1.057 9.981 477 HD13 ILE 59 HD13 ILE 59 4.542 0.560 8.358 478 H VAL 60 HN VAL 60 10.125 3.557 9.924 479 HA VAL 60 HA VAL 60 9.701 5.772 11.832 480 HB VAL 60 HB VAL 60 12.431 4.654 11.160 481 HG11 VAL 60 HG11 VAL 60 12.437 6.901 12.076 482 HG12 VAL 60 HG12 VAL 60 13.086 5.768 13.261 483 HG13 VAL 60 HG13 VAL 60 11.440 6.377 13.433 484 HG21 VAL 60 HG21 VAL 60 12.426 3.300 13.103 485 HG22 VAL 60 HG22 VAL 60 10.933 2.925 12.241 486 HG23 VAL 60 HG23 VAL 60 10.894 3.975 13.656 487 H CYS 61 HN CYS 61 9.770 7.748 10.984 488 HA CYS 61 HA CYS 61 10.158 8.229 8.234 489 HB2 CYS 61 HB2 CYS 61 9.571 10.447 8.668 490 HB3 CYS 61 HB1 CYS 61 8.736 9.541 9.921 491 H GLU 62 HN GLU 62 11.649 9.692 7.223 492 HA GLU 62 HA GLU 62 14.332 9.001 7.532 493 HB2 GLU 62 HB2 GLU 62 12.993 11.261 6.071 494 HB3 GLU 62 HB1 GLU 62 14.735 11.026 6.022 495 HG2 GLU 62 HG2 GLU 62 14.409 8.796 5.078 496 HG3 GLU 62 HG1 GLU 62 12.663 9.031 5.128 497 H GLN 63 HN GLN 63 12.546 11.349 9.288 498 HA GLN 63 HA GLN 63 14.605 13.215 9.870 499 HB2 GLN 63 HB2 GLN 63 11.984 13.287 10.245 500 HB3 GLN 63 HB1 GLN 63 12.427 12.718 11.848 501 HG2 GLN 63 HG2 GLN 63 13.877 14.664 12.141 502 HG3 GLN 63 HG1 GLN 63 13.432 15.234 10.533 503 HE21 GLN 63 HE21 GLN 63 11.369 16.057 10.183 504 HE22 GLN 63 HE22 GLN 63 10.338 16.535 11.485 505 H ASP 64 HN ASP 64 13.366 10.472 11.817 506 HA ASP 64 HA ASP 64 15.821 10.613 13.441 507 HB2 ASP 64 HB2 ASP 64 13.985 8.927 14.770 508 HB3 ASP 64 HB1 ASP 64 14.500 10.536 15.251 509 H ILE 65 HN ILE 65 15.110 9.105 10.831 510 HA ILE 65 HA ILE 65 15.065 6.354 11.233 511 HB ILE 65 HB ILE 65 14.646 7.338 9.062 512 HG12 ILE 65 HG12 ILE 65 16.472 5.100 9.474 513 HG13 ILE 65 HG11 ILE 65 15.063 5.216 8.433 514 HG21 ILE 65 HG21 ILE 65 17.560 8.103 9.012 515 HG22 ILE 65 HG22 ILE 65 16.163 9.179 8.995 516 HG23 ILE 65 HG23 ILE 65 16.497 8.147 7.605 517 HD11 ILE 65 HD11 ILE 65 17.771 6.288 7.686 518 HD12 ILE 65 HD12 ILE 65 16.367 6.068 6.639 519 HD13 ILE 65 HD13 ILE 65 17.214 4.663 7.288 520 H TYR 66 HN TYR 66 17.931 8.450 10.908 521 HA TYR 66 HA TYR 66 19.879 6.418 11.104 522 HB2 TYR 66 HB2 TYR 66 20.319 8.664 10.174 523 HB3 TYR 66 HB1 TYR 66 20.117 9.366 11.773 524 HD1 TYR 66 HD2 TYR 66 21.828 9.021 13.503 525 HD2 TYR 66 HD1 TYR 66 22.360 7.531 9.554 526 HE1 TYR 66 HE2 TYR 66 24.214 8.719 13.952 527 HE2 TYR 66 HE1 TYR 66 24.760 7.224 9.991 528 HH TYR 66 HH TYR 66 26.487 8.121 11.506 529 H GLU 67 HN GLU 67 18.677 8.692 13.585 530 HA GLU 67 HA GLU 67 20.221 7.697 15.717 531 HB2 GLU 67 HB2 GLU 67 17.690 9.324 15.624 532 HB3 GLU 67 HB1 GLU 67 18.440 8.864 17.145 533 HG2 GLU 67 HG2 GLU 67 20.487 10.024 16.487 534 HG3 GLU 67 HG1 GLU 67 19.735 10.483 14.960 535 H TRP 68 HN TRP 68 16.862 6.941 14.754 536 HA TRP 68 HA TRP 68 16.211 5.277 16.924 537 HB2 TRP 68 HB2 TRP 68 14.547 6.215 15.352 538 HB3 TRP 68 HB1 TRP 68 15.148 5.143 14.092 539 HD1 TRP 68 HD1 TRP 68 14.497 2.568 14.248 540 HE1 TRP 68 HE1 TRP 68 12.651 1.321 15.540 541 HE3 TRP 68 HE3 TRP 68 13.208 6.232 17.587 542 HZ2 TRP 68 HZ2 TRP 68 10.893 1.817 17.688 543 HZ3 TRP 68 HZ3 TRP 68 11.439 5.757 19.228 544 HH2 TRP 68 HH2 TRP 68 10.309 3.595 19.274 545 H THR 69 HN THR 69 17.568 4.455 13.741 546 HA THR 69 HA THR 69 17.670 1.649 14.141 547 HB THR 69 HB THR 69 19.345 1.674 12.247 548 HG1 THR 69 HG1 THR 69 20.150 3.527 11.631 549 HG21 THR 69 HG21 THR 69 16.955 1.396 11.822 550 HG22 THR 69 HG22 THR 69 17.710 2.351 10.545 551 HG23 THR 69 HG23 THR 69 16.747 3.146 11.791 552 H LYS 70 HN LYS 70 19.743 4.256 14.996 553 HA LYS 70 HA LYS 70 22.170 2.892 15.450 554 HB2 LYS 70 HB2 LYS 70 21.471 5.464 15.369 555 HB3 LYS 70 HB1 LYS 70 21.428 5.250 17.112 556 HG2 LYS 70 HG2 LYS 70 23.717 4.725 17.208 557 HG3 LYS 70 HG1 LYS 70 23.818 4.499 15.461 558 HD2 LYS 70 HD2 LYS 70 23.290 6.907 15.167 559 HD3 LYS 70 HD1 LYS 70 23.332 7.095 16.920 560 HE2 LYS 70 HE2 LYS 70 25.437 7.807 16.079 561 HE3 LYS 70 HE1 LYS 70 25.688 6.249 16.863 562 HZ1 LYS 70 HZ1 LYS 70 25.648 5.193 14.685 563 HZ2 LYS 70 HZ2 LYS 70 26.856 6.374 14.755 564 HZ3 LYS 70 HZ3 LYS 70 25.410 6.692 13.938 565 H ILE 71 HN ILE 71 19.447 3.645 17.616 566 HA ILE 71 HA ILE 71 20.717 2.364 19.883 567 HB ILE 71 HB ILE 71 17.950 3.556 19.677 568 HG12 ILE 71 HG12 ILE 71 19.727 4.973 21.396 569 HG13 ILE 71 HG11 ILE 71 20.520 4.737 19.844 570 HG21 ILE 71 HG21 ILE 71 18.063 1.902 21.480 571 HG22 ILE 71 HG22 ILE 71 17.952 3.537 22.132 572 HG23 ILE 71 HG23 ILE 71 19.501 2.696 22.125 573 HD11 ILE 71 HD11 ILE 71 17.823 5.973 20.274 574 HD12 ILE 71 HD12 ILE 71 18.619 5.722 18.721 575 HD13 ILE 71 HD13 ILE 71 19.320 6.828 19.902 576 H ASN 72 HN ASN 72 17.867 1.780 17.852 577 HA ASN 72 HA ASN 72 17.144 -0.674 19.139 578 HB2 ASN 72 HB2 ASN 72 16.209 0.718 16.646 579 HB3 ASN 72 HB1 ASN 72 15.631 -0.891 17.065 580 HD21 ASN 72 HD21 ASN 72 15.516 2.474 17.807 581 HD22 ASN 72 HD22 ASN 72 14.265 2.389 18.993 582 H GLY 73 HN GLY 73 19.140 0.123 16.376 583 HA2 GLY 73 HA2 GLY 73 20.846 -1.366 15.617 584 HA3 GLY 73 HA1 GLY 73 19.855 -2.719 16.139 585 H GLY 74 HN GLY 74 18.990 -3.856 14.556 586 HA2 GLY 74 HA2 GLY 74 17.353 -3.742 12.682 587 HA3 GLY 74 HA1 GLY 74 18.384 -2.492 12.003 588 H SER 75 HN SER 75 17.852 -5.858 12.416 589 HA SER 75 HA SER 75 18.665 -7.749 11.522 590 HB2 SER 75 HB2 SER 75 19.640 -7.726 9.291 591 HB3 SER 75 HB1 SER 75 18.288 -6.601 9.372 592 HG SER 75 HG SER 75 21.018 -5.865 9.631 593 H GLY 76 HN GLY 76 21.412 -5.467 11.114 594 HA2 GLY 76 HA2 GLY 76 23.115 -7.483 12.445 595 HA3 GLY 76 HA1 GLY 76 23.689 -6.370 11.213 596 H GLY 77 HN GLY 77 25.209 -5.243 12.283 597 HA2 GLY 77 HA2 GLY 77 24.298 -3.441 14.390 598 HA3 GLY 77 HA1 GLY 77 25.605 -4.537 14.809 599 H SER 78 HN SER 78 27.561 -4.440 13.464 600 HA SER 78 HA SER 78 28.095 -1.679 12.594 601 HB2 SER 78 HB2 SER 78 29.409 -2.564 14.547 602 HB3 SER 78 HB1 SER 78 30.114 -3.761 13.461 603 HG SER 78 HG SER 78 31.057 -2.107 12.289 604 H GLY 79 HN GLY 79 28.671 -1.279 10.554 605 HA2 GLY 79 HA2 GLY 79 29.975 -1.898 8.585 606 HA3 GLY 79 HA1 GLY 79 29.442 -3.553 8.834 607 H GLY 80 HN GLY 80 28.022 -0.314 8.383 608 HA2 GLY 80 HA2 GLY 80 25.850 -1.527 6.817 609 HA3 GLY 80 HA1 GLY 80 25.826 0.077 7.531 610 H SER 81 HN SER 81 26.684 -1.831 4.797 611 HA SER 81 HA SER 81 27.785 0.520 3.413 612 HB2 SER 81 HB2 SER 81 28.004 -2.415 2.703 613 HB3 SER 81 HB1 SER 81 28.710 -1.090 1.779 614 HG SER 81 HG SER 81 30.350 -1.348 3.060 615 H GLY 82 HN GLY 82 25.419 -2.106 3.095 616 HA2 GLY 82 HA2 GLY 82 24.283 -0.820 0.712 617 HA3 GLY 82 HA1 GLY 82 23.933 -2.449 1.267 618 H GLY 83 HN GLY 83 21.696 -1.974 1.016 619 HA2 GLY 83 HA2 GLY 83 19.934 -1.816 2.797 620 HA3 GLY 83 HA1 GLY 83 20.594 -0.221 3.126 621 H ASP 84 HN ASP 84 18.227 -1.909 1.515 622 HA ASP 84 HA ASP 84 17.852 0.127 -0.563 623 HB2 ASP 84 HB2 ASP 84 16.625 -2.602 -0.156 624 HB3 ASP 84 HB1 ASP 84 16.051 -1.469 -1.374 625 H VAL 85 HN VAL 85 16.046 1.395 -0.695 626 HA VAL 85 HA VAL 85 14.137 1.267 1.551 627 HB VAL 85 HB VAL 85 14.882 3.904 0.294 628 HG11 VAL 85 HG11 VAL 85 12.872 3.854 1.654 629 HG12 VAL 85 HG12 VAL 85 14.127 4.799 2.457 630 HG13 VAL 85 HG13 VAL 85 13.774 3.158 3.000 631 HG21 VAL 85 HG21 VAL 85 16.998 2.982 1.086 632 HG22 VAL 85 HG22 VAL 85 16.280 2.660 2.665 633 HG23 VAL 85 HG23 VAL 85 16.478 4.322 2.109 634 H MET 86 HN MET 86 11.996 1.700 1.076 635 HA MET 86 HA MET 86 11.328 1.973 -1.783 636 HB2 MET 86 HB2 MET 86 10.118 0.231 0.342 637 HB3 MET 86 HB1 MET 86 9.197 0.686 -1.083 638 HG2 MET 86 HG2 MET 86 10.969 -0.298 -2.496 639 HG3 MET 86 HG1 MET 86 11.795 -0.832 -1.033 640 HE1 MET 86 HE1 MET 86 10.330 -4.142 -2.597 641 HE2 MET 86 HE2 MET 86 11.796 -3.269 -2.148 642 HE3 MET 86 HE3 MET 86 10.836 -2.731 -3.526 643 H VAL 87 HN VAL 87 9.415 3.084 -2.329 644 HA VAL 87 HA VAL 87 8.701 5.209 -0.471 645 HB VAL 87 HB VAL 87 7.526 5.078 -3.216 646 HG11 VAL 87 HG11 VAL 87 6.956 6.912 -1.750 647 HG12 VAL 87 HG12 VAL 87 7.896 7.500 -3.121 648 HG13 VAL 87 HG13 VAL 87 8.661 7.307 -1.545 649 HG21 VAL 87 HG21 VAL 87 10.405 5.854 -2.734 650 HG22 VAL 87 HG22 VAL 87 9.514 6.074 -4.240 651 HG23 VAL 87 HG23 VAL 87 9.851 4.448 -3.644 652 H VAL 88 HN VAL 88 6.505 5.754 -0.001 653 HA VAL 88 HA VAL 88 4.812 3.560 0.581 654 HB VAL 88 HB VAL 88 3.815 6.405 0.475 655 HG11 VAL 88 HG11 VAL 88 2.476 5.709 2.410 656 HG12 VAL 88 HG12 VAL 88 3.175 4.092 2.303 657 HG13 VAL 88 HG13 VAL 88 2.161 4.702 0.996 658 HG21 VAL 88 HG21 VAL 88 5.962 6.515 1.610 659 HG22 VAL 88 HG22 VAL 88 5.487 5.190 2.673 660 HG23 VAL 88 HG23 VAL 88 4.645 6.737 2.762 661 H GLY 89 HN GLY 89 3.718 2.406 -0.835 662 HA2 GLY 89 HA2 GLY 89 3.121 3.183 -3.492 663 HA3 GLY 89 HA1 GLY 89 2.506 1.758 -2.675 664 H GLU 90 HN GLU 90 1.266 3.767 -4.523 665 HA GLU 90 HA GLU 90 -0.633 5.330 -3.131 666 HB2 GLU 90 HB2 GLU 90 0.180 5.343 -5.644 667 HB3 GLU 90 HB1 GLU 90 -1.205 4.285 -5.871 668 HG2 GLU 90 HG2 GLU 90 -2.674 6.005 -4.942 669 HG3 GLU 90 HG1 GLU 90 -1.283 7.064 -4.713 670 HA PRO 91 HA PRO 91 -3.260 1.826 -1.799 671 HB2 PRO 91 HB2 PRO 91 -5.047 3.994 -0.873 672 HB3 PRO 91 HB1 PRO 91 -4.361 2.642 0.033 673 HG2 PRO 91 HG2 PRO 91 -3.471 5.130 0.399 674 HG3 PRO 91 HG1 PRO 91 -2.362 3.744 0.423 675 HD2 PRO 91 HD2 PRO 91 -2.859 5.738 -1.761 676 HD3 PRO 91 HD1 PRO 91 -1.327 5.043 -1.190 677 H THR 92 HN THR 92 -5.216 0.918 -2.453 678 HA THR 92 HA THR 92 -6.660 2.361 -4.582 679 HB THR 92 HB THR 92 -7.184 0.047 -5.508 680 HG1 THR 92 HG1 THR 92 -6.310 -1.629 -4.563 681 HG21 THR 92 HG21 THR 92 -5.051 -0.125 -6.710 682 HG22 THR 92 HG22 THR 92 -4.307 0.970 -5.544 683 HG23 THR 92 HG23 THR 92 -5.597 1.549 -6.599 684 H LEU 93 HN LEU 93 -8.667 2.832 -4.058 685 HA LEU 93 HA LEU 93 -10.021 1.831 -1.784 686 HB2 LEU 93 HB2 LEU 93 -10.292 4.031 -3.286 687 HB3 LEU 93 HB1 LEU 93 -11.573 3.071 -3.996 688 HG LEU 93 HG LEU 93 -11.473 3.431 -1.020 689 HD11 LEU 93 HD11 LEU 93 -12.865 5.432 -1.245 690 HD12 LEU 93 HD12 LEU 93 -12.622 5.399 -2.992 691 HD13 LEU 93 HD13 LEU 93 -11.253 5.676 -1.916 692 HD21 LEU 93 HD21 LEU 93 -13.073 1.839 -1.884 693 HD22 LEU 93 HD22 LEU 93 -13.697 3.035 -3.021 694 HD23 LEU 93 HD23 LEU 93 -13.926 3.263 -1.287 695 H MET 94 HN MET 94 -11.807 0.474 -1.583 696 HA MET 94 HA MET 94 -11.872 -1.812 -3.248 697 HB2 MET 94 HB2 MET 94 -13.656 -0.857 -1.020 698 HB3 MET 94 HB1 MET 94 -13.973 -2.355 -1.883 699 HG2 MET 94 HG2 MET 94 -11.814 -3.231 -1.203 700 HG3 MET 94 HG1 MET 94 -11.441 -1.715 -0.384 701 HE1 MET 94 HE1 MET 94 -14.506 -4.260 -0.546 702 HE2 MET 94 HE2 MET 94 -14.328 -4.996 1.046 703 HE3 MET 94 HE3 MET 94 -13.053 -5.179 -0.158 704 H GLY 95 HN GLY 95 -14.127 0.923 -2.933 705 HA2 GLY 95 HA2 GLY 95 -15.189 1.785 -4.944 706 HA3 GLY 95 HA1 GLY 95 -15.323 0.126 -5.512 707 H GLY 96 HN GLY 96 -16.449 2.362 -3.007 708 HA2 GLY 96 HA2 GLY 96 -19.052 2.325 -3.099 709 HA3 GLY 96 HA1 GLY 96 -18.809 0.675 -2.547 710 H GLU 97 HN GLU 97 -19.346 3.815 -1.595 711 HA GLU 97 HA GLU 97 -18.542 3.204 1.170 712 HB2 GLU 97 HB2 GLU 97 -18.201 5.787 -0.348 713 HB3 GLU 97 HB1 GLU 97 -18.195 5.735 1.409 714 HG2 GLU 97 HG2 GLU 97 -16.283 4.213 1.360 715 HG3 GLU 97 HG1 GLU 97 -16.292 4.263 -0.402 716 H PHE 98 HN PHE 98 -21.103 2.966 -0.343 717 HA PHE 98 HA PHE 98 -22.782 4.855 1.140 718 HB2 PHE 98 HB2 PHE 98 -24.628 4.030 -0.393 719 HB3 PHE 98 HB1 PHE 98 -23.336 4.930 -1.169 720 HD1 PHE 98 HD1 PHE 98 -21.602 3.674 -2.489 721 HD2 PHE 98 HD2 PHE 98 -25.155 1.829 -1.042 722 HE1 PHE 98 HE1 PHE 98 -21.307 1.845 -4.108 723 HE2 PHE 98 HE2 PHE 98 -24.863 -0.005 -2.656 724 HZ PHE 98 HZ PHE 98 -22.937 0.002 -4.190 725 H GLY 99 HN GLY 99 -22.999 4.061 3.134 726 HA2 GLY 99 HA2 GLY 99 -24.798 2.596 4.207 727 HA3 GLY 99 HA1 GLY 99 -23.921 1.276 3.449 728 H ASP 100 HN ASP 100 -23.574 3.945 5.749 729 HA ASP 100 HA ASP 100 -21.500 2.393 7.151 730 HB2 ASP 100 HB2 ASP 100 -21.882 5.379 6.913 731 HB3 ASP 100 HB1 ASP 100 -20.810 4.652 8.107 732 H GLU 101 HN GLU 101 -24.614 2.751 7.341 733 HA GLU 101 HA GLU 101 -24.905 3.553 10.120 734 HB2 GLU 101 HB2 GLU 101 -27.353 3.107 9.720 735 HB3 GLU 101 HB1 GLU 101 -26.645 4.360 8.716 736 HG2 GLU 101 HG2 GLU 101 -26.526 2.789 6.839 737 HG3 GLU 101 HG1 GLU 101 -27.229 1.528 7.852 738 H ASP 102 HN ASP 102 -25.210 0.615 8.175 739 HA ASP 102 HA ASP 102 -25.925 -1.019 10.458 740 HB2 ASP 102 HB2 ASP 102 -25.416 -1.656 7.553 741 HB3 ASP 102 HB1 ASP 102 -25.752 -2.898 8.756 742 H GLU 103 HN GLU 103 -23.022 -0.060 8.867 743 HA GLU 103 HA GLU 103 -21.446 -2.303 9.828 744 HB2 GLU 103 HB2 GLU 103 -20.782 0.168 8.243 745 HB3 GLU 103 HB1 GLU 103 -19.532 -0.906 8.854 746 HG2 GLU 103 HG2 GLU 103 -20.542 -2.763 7.599 747 HG3 GLU 103 HG1 GLU 103 -21.746 -1.649 6.953 748 H ARG 104 HN ARG 104 -22.234 0.922 10.835 749 HA ARG 104 HA ARG 104 -20.054 1.031 12.773 750 HB2 ARG 104 HB2 ARG 104 -22.145 3.013 11.904 751 HB3 ARG 104 HB1 ARG 104 -21.127 3.294 13.309 752 HG2 ARG 104 HG2 ARG 104 -19.135 3.156 11.900 753 HG3 ARG 104 HG1 ARG 104 -20.156 2.870 10.489 754 HD2 ARG 104 HD2 ARG 104 -21.218 5.051 10.820 755 HD3 ARG 104 HD1 ARG 104 -20.195 5.335 12.228 756 HE ARG 104 HE ARG 104 -18.563 4.779 10.013 757 HH11 ARG 104 HH11 ARG 104 -20.676 7.335 11.170 758 HH12 ARG 104 HH12 ARG 104 -19.820 8.581 10.323 759 HH21 ARG 104 HH21 ARG 104 -17.461 6.426 8.912 760 HH22 ARG 104 HH22 ARG 104 -18.003 8.066 9.046 761 H LEU 105 HN LEU 105 -23.299 -0.004 12.667 762 HA LEU 105 HA LEU 105 -23.730 0.435 15.524 763 HB2 LEU 105 HB2 LEU 105 -25.489 0.863 13.678 764 HB3 LEU 105 HB1 LEU 105 -25.683 -0.878 13.648 765 HG LEU 105 HG LEU 105 -26.072 -0.560 16.243 766 HD11 LEU 105 HD11 LEU 105 -25.575 1.825 16.284 767 HD12 LEU 105 HD12 LEU 105 -27.251 1.522 16.741 768 HD13 LEU 105 HD13 LEU 105 -26.873 2.126 15.128 769 HD21 LEU 105 HD21 LEU 105 -28.127 0.106 14.139 770 HD22 LEU 105 HD22 LEU 105 -28.478 -0.383 15.797 771 HD23 LEU 105 HD23 LEU 105 -27.685 -1.508 14.694 772 H ILE 106 HN ILE 106 -24.280 -2.360 13.330 773 HA ILE 106 HA ILE 106 -22.823 -4.112 15.129 774 HB ILE 106 HB ILE 106 -24.781 -5.796 15.083 775 HG12 ILE 106 HG12 ILE 106 -26.991 -4.323 15.409 776 HG13 ILE 106 HG11 ILE 106 -26.170 -3.285 14.250 777 HG21 ILE 106 HG21 ILE 106 -25.671 -4.906 17.187 778 HG22 ILE 106 HG22 ILE 106 -24.885 -3.362 16.851 779 HG23 ILE 106 HG23 ILE 106 -23.911 -4.811 17.106 780 HD11 ILE 106 HD11 ILE 106 -26.029 -5.151 12.683 781 HD12 ILE 106 HD12 ILE 106 -27.698 -4.812 13.144 782 HD13 ILE 106 HD13 ILE 106 -26.852 -6.190 13.848 783 H THR 107 HN THR 107 -21.883 -5.795 14.126 784 HA THR 107 HA THR 107 -22.687 -6.408 11.360 785 HB THR 107 HB THR 107 -20.215 -6.822 10.893 786 HG1 THR 107 HG1 THR 107 -19.301 -4.982 12.614 787 HG21 THR 107 HG21 THR 107 -21.105 -3.985 11.431 788 HG22 THR 107 HG22 THR 107 -21.402 -4.905 9.957 789 HG23 THR 107 HG23 THR 107 -19.755 -4.460 10.401 790 H ARG 108 HN ARG 108 -23.280 -8.449 11.200 791 HA ARG 108 HA ARG 108 -21.828 -10.508 12.718 792 HB2 ARG 108 HB2 ARG 108 -24.245 -9.761 13.553 793 HB3 ARG 108 HB1 ARG 108 -24.761 -10.852 12.276 794 HG2 ARG 108 HG2 ARG 108 -24.738 -12.265 14.085 795 HG3 ARG 108 HG1 ARG 108 -23.121 -12.529 13.433 796 HD2 ARG 108 HD2 ARG 108 -23.727 -10.562 15.639 797 HD3 ARG 108 HD1 ARG 108 -23.256 -12.234 15.932 798 HE ARG 108 HE ARG 108 -21.304 -11.238 14.292 799 HH11 ARG 108 HH11 ARG 108 -22.568 -10.306 17.433 800 HH12 ARG 108 HH12 ARG 108 -21.063 -9.634 17.967 801 HH21 ARG 108 HH21 ARG 108 -19.345 -10.353 15.011 802 HH22 ARG 108 HH22 ARG 108 -19.241 -9.661 16.596 803 H LEU 109 HN LEU 109 -21.668 -12.527 11.729 804 HA LEU 109 HA LEU 109 -22.647 -12.731 8.967 805 HB2 LEU 109 HB2 LEU 109 -20.473 -13.881 8.388 806 HB3 LEU 109 HB1 LEU 109 -20.387 -12.152 8.639 807 HG LEU 109 HG LEU 109 -19.697 -12.960 11.107 808 HD11 LEU 109 HD11 LEU 109 -18.714 -15.154 9.286 809 HD12 LEU 109 HD12 LEU 109 -19.880 -15.334 10.597 810 HD13 LEU 109 HD13 LEU 109 -18.210 -14.895 10.956 811 HD21 LEU 109 HD21 LEU 109 -18.425 -11.441 9.706 812 HD22 LEU 109 HD22 LEU 109 -17.856 -12.790 8.725 813 HD23 LEU 109 HD23 LEU 109 -17.363 -12.660 10.414 814 H GLU 110 HN GLU 110 -23.320 -14.715 8.295 815 HA GLU 110 HA GLU 110 -23.132 -16.940 10.217 816 HB2 GLU 110 HB2 GLU 110 -25.568 -15.952 8.741 817 HB3 GLU 110 HB1 GLU 110 -25.472 -17.576 9.406 818 HG2 GLU 110 HG2 GLU 110 -25.141 -16.641 11.640 819 HG3 GLU 110 HG1 GLU 110 -25.239 -15.013 10.971 820 H ASN 111 HN ASN 111 -23.020 -19.007 9.371 821 HA ASN 111 HA ASN 111 -22.431 -20.673 7.955 822 HB2 ASN 111 HB2 ASN 111 -23.921 -18.977 5.944 823 HB3 ASN 111 HB1 ASN 111 -23.274 -20.572 5.574 824 HD21 ASN 111 HD21 ASN 111 -25.661 -18.783 7.349 825 HD22 ASN 111 HD22 ASN 111 -26.658 -20.131 7.766 826 H THR 112 HN THR 112 -20.496 -21.192 7.247 827 HA THR 112 HA THR 112 -18.851 -19.126 5.948 828 HB THR 112 HB THR 112 -16.918 -20.656 6.591 829 HG1 THR 112 HG1 THR 112 -18.334 -21.739 8.673 830 HG21 THR 112 HG21 THR 112 -18.563 -19.441 8.815 831 HG22 THR 112 HG22 THR 112 -17.394 -18.589 7.805 832 HG23 THR 112 HG23 THR 112 -16.850 -19.851 8.909 833 H GLN 113 HN GLN 113 -17.826 -19.498 4.034 834 HA GLN 113 HA GLN 113 -18.302 -22.086 2.709 835 HB2 GLN 113 HB2 GLN 113 -18.697 -19.315 1.591 836 HB3 GLN 113 HB1 GLN 113 -18.490 -20.720 0.556 837 HG2 GLN 113 HG2 GLN 113 -20.470 -21.747 1.557 838 HG3 GLN 113 HG1 GLN 113 -20.677 -20.335 2.591 839 HE21 GLN 113 HE21 GLN 113 -20.913 -21.589 -0.638 840 HE22 GLN 113 HE22 GLN 113 -21.828 -20.281 -1.299 841 H PHE 114 HN PHE 114 -16.713 -22.820 1.318 842 HA PHE 114 HA PHE 114 -14.095 -21.532 1.638 843 HB2 PHE 114 HB2 PHE 114 -14.890 -24.351 0.893 844 HB3 PHE 114 HB1 PHE 114 -13.233 -23.766 0.797 845 HD1 PHE 114 HD2 PHE 114 -11.952 -23.319 2.801 846 HD2 PHE 114 HD1 PHE 114 -15.961 -24.732 3.027 847 HE1 PHE 114 HE2 PHE 114 -11.618 -23.875 5.174 848 HE2 PHE 114 HE1 PHE 114 -15.633 -25.291 5.400 849 HZ PHE 114 HZ PHE 114 -13.460 -24.863 6.477 850 H ASP 115 HN ASP 115 -12.664 -21.324 -0.150 851 HA ASP 115 HA ASP 115 -14.055 -20.771 -2.662 852 HB2 ASP 115 HB2 ASP 115 -11.340 -19.968 -1.613 853 HB3 ASP 115 HB1 ASP 115 -11.861 -19.641 -3.262 854 H ALA 116 HN ALA 116 -13.440 -21.608 -4.636 855 HA ALA 116 HA ALA 116 -11.935 -24.121 -4.512 856 HB1 ALA 116 HB1 ALA 116 -14.211 -24.219 -5.411 857 HB2 ALA 116 HB2 ALA 116 -13.014 -24.672 -6.625 858 HB3 ALA 116 HB3 ALA 116 -13.760 -23.075 -6.674 859 H ALA 117 HN ALA 117 -10.351 -24.643 -6.069 860 HA ALA 117 HA ALA 117 -8.852 -22.324 -7.031 861 HB1 ALA 117 HB1 ALA 117 -8.016 -25.216 -6.849 862 HB2 ALA 117 HB2 ALA 117 -7.675 -23.969 -5.650 863 HB3 ALA 117 HB3 ALA 117 -6.976 -23.854 -7.264 864 H ASN 118 HN ASN 118 -10.303 -25.325 -8.227 865 HA ASN 118 HA ASN 118 -9.639 -24.595 -10.987 866 HB2 ASN 118 HB2 ASN 118 -10.684 -27.148 -9.758 867 HB3 ASN 118 HB1 ASN 118 -10.564 -26.902 -11.497 868 HD21 ASN 118 HD21 ASN 118 -8.538 -26.796 -12.461 869 HD22 ASN 118 HD22 ASN 118 -7.109 -27.341 -11.657 870 H GLY 119 HN GLY 119 -11.094 -23.843 -12.383 871 HA2 GLY 119 HA2 GLY 119 -13.497 -24.180 -13.145 872 HA3 GLY 119 HA1 GLY 119 -13.911 -23.707 -11.504 873 H ILE 120 HN ILE 120 -11.720 -22.481 -14.034 874 HA ILE 120 HA ILE 120 -12.644 -19.765 -13.442 875 HB ILE 120 HB ILE 120 -10.189 -20.262 -13.356 876 HG12 ILE 120 HG12 ILE 120 -9.614 -18.287 -15.053 877 HG13 ILE 120 HG11 ILE 120 -11.365 -18.114 -15.046 878 HG21 ILE 120 HG21 ILE 120 -10.365 -20.505 -16.353 879 HG22 ILE 120 HG22 ILE 120 -10.033 -21.822 -15.229 880 HG23 ILE 120 HG23 ILE 120 -8.888 -20.491 -15.388 881 HD11 ILE 120 HD11 ILE 120 -11.330 -17.853 -12.621 882 HD12 ILE 120 HD12 ILE 120 -10.326 -16.642 -13.420 883 HD13 ILE 120 HD13 ILE 120 -9.575 -18.028 -12.628 884 H ASP 121 HN ASP 121 -13.269 -18.325 -15.111 885 HA ASP 121 HA ASP 121 -14.384 -19.676 -17.477 886 HB2 ASP 121 HB2 ASP 121 -15.270 -17.208 -15.984 887 HB3 ASP 121 HB1 ASP 121 -15.913 -17.646 -17.563 888 H ASP 122 HN ASP 122 -11.919 -17.577 -16.580 889 HA ASP 122 HA ASP 122 -11.935 -15.985 -19.012 890 HB2 ASP 122 HB2 ASP 122 -10.104 -16.037 -16.611 891 HB3 ASP 122 HB1 ASP 122 -9.798 -15.031 -18.024 892 H GLU 123 HN GLU 123 -9.960 -18.539 -17.534 893 HA GLU 123 HA GLU 123 -8.471 -18.803 -20.057 894 HB2 GLU 123 HB2 GLU 123 -7.777 -19.586 -17.231 895 HB3 GLU 123 HB1 GLU 123 -6.891 -20.210 -18.615 896 HG2 GLU 123 HG2 GLU 123 -6.299 -17.927 -19.261 897 HG3 GLU 123 HG1 GLU 123 -7.182 -17.307 -17.868 Start of MODEL 19 1 H TYR 1 HT1 TYR 1 -19.902 -23.120 7.813 2 HA TYR 1 HA TYR 1 -21.490 -23.268 6.012 3 HB2 TYR 1 HB2 TYR 1 -21.783 -20.900 7.869 4 HB3 TYR 1 HB1 TYR 1 -23.097 -21.519 6.874 5 HD1 TYR 1 HD2 TYR 1 -20.975 -22.152 9.792 6 HD2 TYR 1 HD1 TYR 1 -24.163 -23.639 7.399 7 HE1 TYR 1 HE2 TYR 1 -21.532 -23.777 11.552 8 HE2 TYR 1 HE1 TYR 1 -24.730 -25.266 9.152 9 HH TYR 1 HH TYR 1 -23.635 -26.389 11.045 10 H LEU 2 HN LEU 2 -19.876 -20.116 6.188 11 HA LEU 2 HA LEU 2 -20.978 -19.387 3.570 12 HB2 LEU 2 HB2 LEU 2 -19.612 -17.791 5.732 13 HB3 LEU 2 HB1 LEU 2 -19.836 -17.147 4.123 14 HG LEU 2 HG LEU 2 -21.525 -16.244 5.570 15 HD11 LEU 2 HD11 LEU 2 -23.491 -16.683 4.361 16 HD12 LEU 2 HD12 LEU 2 -22.965 -18.311 3.938 17 HD13 LEU 2 HD13 LEU 2 -22.160 -16.914 3.225 18 HD21 LEU 2 HD21 LEU 2 -21.537 -17.924 7.317 19 HD22 LEU 2 HD22 LEU 2 -22.314 -19.076 6.232 20 HD23 LEU 2 HD23 LEU 2 -23.174 -17.623 6.737 21 H ARG 3 HN ARG 3 -19.746 -19.119 1.787 22 HA ARG 3 HA ARG 3 -17.251 -20.435 1.599 23 HB2 ARG 3 HB2 ARG 3 -19.131 -19.848 -0.190 24 HB3 ARG 3 HB1 ARG 3 -18.067 -18.484 -0.499 25 HG2 ARG 3 HG2 ARG 3 -16.227 -20.000 -0.977 26 HG3 ARG 3 HG1 ARG 3 -17.260 -21.385 -0.615 27 HD2 ARG 3 HD2 ARG 3 -18.745 -20.747 -2.457 28 HD3 ARG 3 HD1 ARG 3 -17.698 -19.376 -2.823 29 HE ARG 3 HE ARG 3 -16.068 -21.587 -2.910 30 HH11 ARG 3 HH11 ARG 3 -18.957 -20.568 -4.630 31 HH12 ARG 3 HH12 ARG 3 -18.538 -21.428 -6.074 32 HH21 ARG 3 HH21 ARG 3 -15.542 -22.704 -4.810 33 HH22 ARG 3 HH22 ARG 3 -16.607 -22.637 -6.174 34 H LEU 4 HN LEU 4 -18.103 -16.999 1.743 35 HA LEU 4 HA LEU 4 -15.265 -16.366 2.210 36 HB2 LEU 4 HB2 LEU 4 -16.279 -15.706 -0.093 37 HB3 LEU 4 HB1 LEU 4 -17.108 -14.454 0.806 38 HG LEU 4 HG LEU 4 -14.667 -13.883 1.643 39 HD11 LEU 4 HD11 LEU 4 -13.575 -15.767 0.551 40 HD12 LEU 4 HD12 LEU 4 -12.999 -14.237 -0.110 41 HD13 LEU 4 HD13 LEU 4 -14.157 -15.210 -1.018 42 HD21 LEU 4 HD21 LEU 4 -16.119 -12.361 0.431 43 HD22 LEU 4 HD22 LEU 4 -15.723 -13.164 -1.089 44 HD23 LEU 4 HD23 LEU 4 -14.477 -12.282 -0.207 45 H PHE 5 HN PHE 5 -14.835 -14.700 3.666 46 HA PHE 5 HA PHE 5 -17.121 -13.677 5.210 47 HB2 PHE 5 HB2 PHE 5 -14.556 -14.864 6.276 48 HB3 PHE 5 HB1 PHE 5 -15.638 -13.886 7.260 49 HD1 PHE 5 HD2 PHE 5 -17.802 -14.733 7.950 50 HD2 PHE 5 HD1 PHE 5 -15.159 -17.098 5.598 51 HE1 PHE 5 HE2 PHE 5 -19.126 -16.737 8.485 52 HE2 PHE 5 HE1 PHE 5 -16.478 -19.107 6.128 53 HZ PHE 5 HZ PHE 5 -18.463 -18.928 7.574 54 H GLY 6 HN GLY 6 -14.710 -12.819 3.248 55 HA2 GLY 6 HA2 GLY 6 -14.607 -10.293 3.035 56 HA3 GLY 6 HA1 GLY 6 -14.048 -10.334 4.701 57 H GLN 7 HN GLN 7 -11.989 -9.673 4.597 58 HA GLN 7 HA GLN 7 -10.219 -10.876 2.585 59 HB2 GLN 7 HB2 GLN 7 -10.257 -8.268 3.995 60 HB3 GLN 7 HB1 GLN 7 -8.672 -8.962 3.662 61 HG2 GLN 7 HG2 GLN 7 -9.228 -9.098 1.289 62 HG3 GLN 7 HG1 GLN 7 -10.824 -8.426 1.619 63 HE21 GLN 7 HE21 GLN 7 -11.034 -6.251 2.062 64 HE22 GLN 7 HE22 GLN 7 -9.760 -5.115 1.796 65 H ASP 8 HN ASP 8 -8.232 -11.735 3.145 66 HA ASP 8 HA ASP 8 -8.088 -12.804 5.871 67 HB2 ASP 8 HB2 ASP 8 -6.804 -13.637 3.272 68 HB3 ASP 8 HB1 ASP 8 -6.365 -14.348 4.822 69 H GLY 9 HN GLY 9 -6.713 -10.377 3.972 70 HA2 GLY 9 HA2 GLY 9 -4.050 -10.481 5.115 71 HA3 GLY 9 HA1 GLY 9 -4.663 -9.275 3.996 72 H LEU 10 HN LEU 10 -4.765 -10.329 7.363 73 HA LEU 10 HA LEU 10 -5.972 -8.001 8.435 74 HB2 LEU 10 HB2 LEU 10 -4.293 -10.176 9.664 75 HB3 LEU 10 HB1 LEU 10 -4.933 -8.845 10.608 76 HG LEU 10 HG LEU 10 -7.152 -9.827 9.256 77 HD11 LEU 10 HD11 LEU 10 -5.901 -11.803 8.583 78 HD12 LEU 10 HD12 LEU 10 -7.157 -12.217 9.751 79 HD13 LEU 10 HD13 LEU 10 -5.473 -12.116 10.265 80 HD21 LEU 10 HD21 LEU 10 -6.125 -10.260 12.051 81 HD22 LEU 10 HD22 LEU 10 -7.747 -10.710 11.526 82 HD23 LEU 10 HD23 LEU 10 -7.246 -9.019 11.488 83 H CYS 11 HN CYS 11 -4.937 -6.417 9.906 84 HA CYS 11 HA CYS 11 -2.743 -5.140 8.620 85 HB2 CYS 11 HB2 CYS 11 -4.565 -3.950 9.807 86 HB3 CYS 11 HB1 CYS 11 -3.919 -4.541 11.335 87 H ALA 12 HN ALA 12 -0.666 -5.086 9.027 88 HA ALA 12 HA ALA 12 0.607 -7.071 10.588 89 HB1 ALA 12 HB1 ALA 12 1.359 -5.540 8.507 90 HB2 ALA 12 HB2 ALA 12 2.489 -6.438 9.522 91 HB3 ALA 12 HB3 ALA 12 2.207 -4.723 9.820 92 H SER 13 HN SER 13 -0.112 -3.679 11.226 93 HA SER 13 HA SER 13 1.440 -3.676 13.688 94 HB2 SER 13 HB2 SER 13 1.420 -1.692 12.166 95 HB3 SER 13 HB1 SER 13 -0.286 -1.468 12.545 96 HG SER 13 HG SER 13 1.386 -1.700 14.730 97 H CYS 14 HN CYS 14 -1.987 -3.094 12.784 98 HA CYS 14 HA CYS 14 -2.726 -3.663 15.566 99 HB2 CYS 14 HB2 CYS 14 -4.685 -2.412 15.276 100 HB3 CYS 14 HB1 CYS 14 -3.482 -1.509 14.370 101 H ASP 15 HN ASP 15 -4.532 -5.050 16.013 102 HA ASP 15 HA ASP 15 -4.588 -7.353 14.234 103 HB2 ASP 15 HB2 ASP 15 -5.545 -6.919 17.069 104 HB3 ASP 15 HB1 ASP 15 -5.860 -8.405 16.179 105 H LYS 16 HN LYS 16 -5.817 -5.451 12.916 106 HA LYS 16 HA LYS 16 -8.699 -5.991 13.226 107 HB2 LYS 16 HB2 LYS 16 -7.637 -3.547 13.560 108 HB3 LYS 16 HB1 LYS 16 -7.814 -3.526 11.819 109 HG2 LYS 16 HG2 LYS 16 -9.811 -2.617 12.441 110 HG3 LYS 16 HG1 LYS 16 -10.255 -4.324 12.365 111 HD2 LYS 16 HD2 LYS 16 -9.926 -4.515 14.787 112 HD3 LYS 16 HD1 LYS 16 -9.475 -2.811 14.862 113 HE2 LYS 16 HE2 LYS 16 -12.130 -3.757 13.804 114 HE3 LYS 16 HE1 LYS 16 -11.860 -3.377 15.504 115 HZ1 LYS 16 HZ1 LYS 16 -11.240 -1.129 14.864 116 HZ2 LYS 16 HZ2 LYS 16 -12.797 -1.496 14.318 117 HZ3 LYS 16 HZ3 LYS 16 -11.500 -1.495 13.233 118 H ARG 17 HN ARG 17 -9.728 -6.800 11.501 119 HA ARG 17 HA ARG 17 -8.306 -7.784 9.272 120 HB2 ARG 17 HB2 ARG 17 -11.294 -7.443 9.615 121 HB3 ARG 17 HB1 ARG 17 -10.516 -8.425 8.384 122 HG2 ARG 17 HG2 ARG 17 -9.452 -9.688 10.347 123 HG3 ARG 17 HG1 ARG 17 -10.676 -8.895 11.337 124 HD2 ARG 17 HD2 ARG 17 -12.436 -9.840 9.935 125 HD3 ARG 17 HD1 ARG 17 -11.221 -10.616 8.920 126 HE ARG 17 HE ARG 17 -10.879 -11.400 11.612 127 HH11 ARG 17 HH11 ARG 17 -13.031 -11.958 8.892 128 HH12 ARG 17 HH12 ARG 17 -13.488 -13.539 9.432 129 HH21 ARG 17 HH21 ARG 17 -11.493 -13.472 12.298 130 HH22 ARG 17 HH22 ARG 17 -12.618 -14.394 11.358 131 H ILE 18 HN ILE 18 -7.804 -6.913 7.369 132 HA ILE 18 HA ILE 18 -8.390 -4.175 6.795 133 HB ILE 18 HB ILE 18 -6.783 -6.345 5.516 134 HG12 ILE 18 HG12 ILE 18 -6.137 -3.452 6.124 135 HG13 ILE 18 HG11 ILE 18 -5.942 -4.761 7.282 136 HG21 ILE 18 HG21 ILE 18 -6.560 -5.471 3.425 137 HG22 ILE 18 HG22 ILE 18 -6.901 -3.823 3.954 138 HG23 ILE 18 HG23 ILE 18 -8.223 -4.970 3.737 139 HD11 ILE 18 HD11 ILE 18 -4.478 -4.497 4.661 140 HD12 ILE 18 HD12 ILE 18 -4.282 -5.806 5.828 141 HD13 ILE 18 HD13 ILE 18 -3.823 -4.159 6.264 142 H ARG 19 HN ARG 19 -10.470 -3.725 6.420 143 HA ARG 19 HA ARG 19 -11.746 -4.779 4.026 144 HB2 ARG 19 HB2 ARG 19 -12.899 -5.139 6.787 145 HB3 ARG 19 HB1 ARG 19 -13.928 -5.084 5.363 146 HG2 ARG 19 HG2 ARG 19 -12.751 -7.011 4.432 147 HG3 ARG 19 HG1 ARG 19 -11.708 -7.063 5.854 148 HD2 ARG 19 HD2 ARG 19 -13.368 -8.692 6.229 149 HD3 ARG 19 HD1 ARG 19 -13.828 -7.311 7.224 150 HE ARG 19 HE ARG 19 -15.091 -7.187 4.687 151 HH11 ARG 19 HH11 ARG 19 -15.302 -8.879 7.758 152 HH12 ARG 19 HH12 ARG 19 -16.997 -9.199 7.594 153 HH21 ARG 19 HH21 ARG 19 -17.307 -7.618 4.495 154 HH22 ARG 19 HH22 ARG 19 -18.130 -8.486 5.748 155 H ALA 20 HN ALA 20 -13.460 -3.496 3.239 156 HA ALA 20 HA ALA 20 -14.341 -1.512 2.575 157 HB1 ALA 20 HB1 ALA 20 -15.871 -2.206 4.362 158 HB2 ALA 20 HB2 ALA 20 -15.806 -0.454 4.174 159 HB3 ALA 20 HB3 ALA 20 -14.957 -1.228 5.511 160 H TYR 21 HN TYR 21 -13.078 -0.390 5.738 161 HA TYR 21 HA TYR 21 -12.087 2.039 4.505 162 HB2 TYR 21 HB2 TYR 21 -13.230 1.673 6.871 163 HB3 TYR 21 HB1 TYR 21 -11.572 1.374 7.376 164 HD1 TYR 21 HD1 TYR 21 -9.879 3.269 6.300 165 HD2 TYR 21 HD2 TYR 21 -13.991 3.809 7.260 166 HE1 TYR 21 HE1 TYR 21 -9.499 5.692 6.540 167 HE2 TYR 21 HE2 TYR 21 -13.626 6.230 7.488 168 HH TYR 21 HH TYR 21 -10.803 7.777 6.421 169 H GLU 22 HN GLU 22 -10.845 -0.567 3.878 170 HA GLU 22 HA GLU 22 -8.302 -0.820 5.057 171 HB2 GLU 22 HB2 GLU 22 -7.819 -2.031 2.784 172 HB3 GLU 22 HB1 GLU 22 -8.951 -2.733 3.930 173 HG2 GLU 22 HG2 GLU 22 -10.669 -2.548 2.508 174 HG3 GLU 22 HG1 GLU 22 -10.220 -0.907 2.050 175 H MET 23 HN MET 23 -9.039 0.397 1.762 176 HA MET 23 HA MET 23 -7.770 1.627 0.291 177 HB2 MET 23 HB2 MET 23 -8.205 3.369 2.701 178 HB3 MET 23 HB1 MET 23 -7.417 3.999 1.262 179 HG2 MET 23 HG2 MET 23 -9.382 3.445 -0.065 180 HG3 MET 23 HG1 MET 23 -10.169 2.782 1.366 181 HE1 MET 23 HE1 MET 23 -11.530 5.002 -0.493 182 HE2 MET 23 HE2 MET 23 -12.217 6.052 0.746 183 HE3 MET 23 HE3 MET 23 -12.281 4.301 0.941 184 H THR 24 HN THR 24 -6.033 -0.165 1.264 185 HA THR 24 HA THR 24 -3.570 1.375 1.755 186 HB THR 24 HB THR 24 -3.981 0.105 3.719 187 HG1 THR 24 HG1 THR 24 -1.808 -0.080 2.468 188 HG21 THR 24 HG21 THR 24 -4.225 -2.341 3.774 189 HG22 THR 24 HG22 THR 24 -4.246 -2.365 2.010 190 HG23 THR 24 HG23 THR 24 -5.547 -1.571 2.897 191 H MET 25 HN MET 25 -1.571 0.251 1.039 192 HA MET 25 HA MET 25 -2.051 -1.057 -1.519 193 HB2 MET 25 HB2 MET 25 0.165 -0.179 -2.246 194 HB3 MET 25 HB1 MET 25 -0.987 1.088 -1.861 195 HG2 MET 25 HG2 MET 25 1.166 0.147 0.025 196 HG3 MET 25 HG1 MET 25 1.350 1.503 -1.084 197 HE1 MET 25 HE1 MET 25 0.975 2.986 2.608 198 HE2 MET 25 HE2 MET 25 2.109 2.654 1.299 199 HE3 MET 25 HE3 MET 25 1.518 1.335 2.308 200 H ARG 26 HN ARG 26 -0.223 -2.546 -2.249 201 HA ARG 26 HA ARG 26 0.284 -4.419 -0.100 202 HB2 ARG 26 HB2 ARG 26 1.133 -5.915 -1.918 203 HB3 ARG 26 HB1 ARG 26 -0.536 -5.409 -2.102 204 HG2 ARG 26 HG2 ARG 26 0.208 -3.715 -3.760 205 HG3 ARG 26 HG1 ARG 26 1.846 -4.357 -3.622 206 HD2 ARG 26 HD2 ARG 26 -0.536 -6.029 -4.387 207 HD3 ARG 26 HD1 ARG 26 0.498 -5.223 -5.565 208 HE ARG 26 HE ARG 26 1.950 -6.886 -3.728 209 HH11 ARG 26 HH11 ARG 26 0.155 -6.914 -6.747 210 HH12 ARG 26 HH12 ARG 26 0.938 -8.344 -7.332 211 HH21 ARG 26 HH21 ARG 26 2.960 -8.756 -4.514 212 HH22 ARG 26 HH22 ARG 26 2.524 -9.387 -6.067 213 H VAL 27 HN VAL 27 2.025 -4.412 1.083 214 HA VAL 27 HA VAL 27 4.453 -3.062 0.160 215 HB VAL 27 HB VAL 27 4.113 -4.172 2.953 216 HG11 VAL 27 HG11 VAL 27 5.707 -1.934 1.729 217 HG12 VAL 27 HG12 VAL 27 6.283 -3.335 2.632 218 HG13 VAL 27 HG13 VAL 27 5.429 -2.041 3.467 219 HG21 VAL 27 HG21 VAL 27 2.075 -2.895 2.534 220 HG22 VAL 27 HG22 VAL 27 3.036 -1.516 2.000 221 HG23 VAL 27 HG23 VAL 27 3.120 -2.053 3.677 222 H LYS 28 HN LYS 28 6.516 -4.282 1.303 223 HA LYS 28 HA LYS 28 7.263 -6.353 -0.284 224 HB2 LYS 28 HB2 LYS 28 8.166 -5.556 2.458 225 HB3 LYS 28 HB1 LYS 28 8.889 -6.938 1.648 226 HG2 LYS 28 HG2 LYS 28 9.527 -5.487 -0.227 227 HG3 LYS 28 HG1 LYS 28 8.829 -4.106 0.621 228 HD2 LYS 28 HD2 LYS 28 10.412 -4.416 2.452 229 HD3 LYS 28 HD1 LYS 28 11.094 -5.824 1.636 230 HE2 LYS 28 HE2 LYS 28 11.034 -3.085 0.393 231 HE3 LYS 28 HE1 LYS 28 12.369 -3.645 1.397 232 HZ1 LYS 28 HZ1 LYS 28 12.823 -3.986 -0.950 233 HZ2 LYS 28 HZ2 LYS 28 11.433 -4.935 -1.111 234 HZ3 LYS 28 HZ3 LYS 28 12.715 -5.473 -0.149 235 H ASP 29 HN ASP 29 6.360 -6.984 3.155 236 HA ASP 29 HA ASP 29 5.485 -9.657 2.275 237 HB2 ASP 29 HB2 ASP 29 6.929 -8.843 4.792 238 HB3 ASP 29 HB1 ASP 29 6.100 -10.387 4.635 239 H LYS 30 HN LYS 30 4.910 -7.075 4.654 240 HA LYS 30 HA LYS 30 2.213 -8.176 5.099 241 HB2 LYS 30 HB2 LYS 30 3.843 -6.474 6.991 242 HB3 LYS 30 HB1 LYS 30 2.283 -7.201 7.318 243 HG2 LYS 30 HG2 LYS 30 3.184 -9.378 7.380 244 HG3 LYS 30 HG1 LYS 30 4.704 -8.844 6.662 245 HD2 LYS 30 HD2 LYS 30 4.894 -7.352 8.776 246 HD3 LYS 30 HD1 LYS 30 3.686 -8.447 9.451 247 HE2 LYS 30 HE2 LYS 30 5.145 -10.347 8.999 248 HE3 LYS 30 HE1 LYS 30 6.345 -9.266 8.289 249 HZ1 LYS 30 HZ1 LYS 30 5.430 -9.218 11.116 250 HZ2 LYS 30 HZ2 LYS 30 6.582 -8.181 10.437 251 HZ3 LYS 30 HZ3 LYS 30 6.907 -9.835 10.566 252 H VAL 31 HN VAL 31 0.491 -6.668 5.474 253 HA VAL 31 HA VAL 31 0.866 -4.113 4.056 254 HB VAL 31 HB VAL 31 -1.820 -5.386 4.610 255 HG11 VAL 31 HG11 VAL 31 -1.855 -3.039 3.952 256 HG12 VAL 31 HG12 VAL 31 -2.543 -4.052 2.682 257 HG13 VAL 31 HG13 VAL 31 -0.907 -3.415 2.513 258 HG21 VAL 31 HG21 VAL 31 -0.109 -5.826 2.158 259 HG22 VAL 31 HG22 VAL 31 -1.784 -6.346 2.353 260 HG23 VAL 31 HG23 VAL 31 -0.522 -7.040 3.370 261 H TYR 32 HN TYR 32 0.025 -2.188 4.928 262 HA TYR 32 HA TYR 32 -0.780 -2.281 7.767 263 HB2 TYR 32 HB2 TYR 32 1.165 -0.332 6.508 264 HB3 TYR 32 HB1 TYR 32 0.574 -0.243 8.160 265 HD1 TYR 32 HD2 TYR 32 2.524 -2.401 5.838 266 HD2 TYR 32 HD1 TYR 32 1.711 -1.358 9.879 267 HE1 TYR 32 HE2 TYR 32 4.414 -3.789 6.562 268 HE2 TYR 32 HE1 TYR 32 3.605 -2.739 10.620 269 HH TYR 32 HH TYR 32 4.921 -4.654 9.802 270 H HIS 33 HN HIS 33 -2.354 -0.847 8.397 271 HA HIS 33 HA HIS 33 -4.058 0.341 6.467 272 HB2 HIS 33 HB2 HIS 33 -3.877 0.548 9.469 273 HB3 HIS 33 HB1 HIS 33 -5.042 1.498 8.562 274 HD2 HIS 33 HD2 HIS 33 -6.690 -0.441 6.826 275 HE1 HIS 33 HE1 HIS 33 -6.691 -3.187 10.064 276 HE2 HIS 33 HE2 HIS 33 -7.745 -2.561 7.863 277 H LEU 34 HN LEU 34 -4.685 2.714 6.472 278 HA LEU 34 HA LEU 34 -2.446 4.364 5.931 279 HB2 LEU 34 HB2 LEU 34 -5.317 5.183 6.420 280 HB3 LEU 34 HB1 LEU 34 -4.076 6.209 5.731 281 HG LEU 34 HG LEU 34 -3.981 4.148 3.992 282 HD11 LEU 34 HD11 LEU 34 -6.907 4.380 4.628 283 HD12 LEU 34 HD12 LEU 34 -5.896 3.096 5.292 284 HD13 LEU 34 HD13 LEU 34 -6.099 3.243 3.547 285 HD21 LEU 34 HD21 LEU 34 -5.381 5.536 2.522 286 HD22 LEU 34 HD22 LEU 34 -4.187 6.491 3.400 287 HD23 LEU 34 HD23 LEU 34 -5.873 6.496 3.917 288 H GLU 35 HN GLU 35 -4.786 4.372 8.608 289 HA GLU 35 HA GLU 35 -3.576 6.438 10.123 290 HB2 GLU 35 HB2 GLU 35 -5.474 4.221 10.899 291 HB3 GLU 35 HB1 GLU 35 -4.960 5.479 12.013 292 HG2 GLU 35 HG2 GLU 35 -5.919 7.172 10.499 293 HG3 GLU 35 HG1 GLU 35 -6.489 5.877 9.446 294 H CYS 36 HN CYS 36 -2.925 3.051 9.815 295 HA CYS 36 HA CYS 36 -1.279 2.911 12.212 296 HB2 CYS 36 HB2 CYS 36 -1.675 0.775 10.112 297 HB3 CYS 36 HB1 CYS 36 -1.103 0.563 11.762 298 H PHE 37 HN PHE 37 -0.844 3.913 9.045 299 HA PHE 37 HA PHE 37 1.907 2.986 8.791 300 HB2 PHE 37 HB2 PHE 37 0.219 3.047 6.867 301 HB3 PHE 37 HB1 PHE 37 0.413 4.793 6.881 302 HD1 PHE 37 HD2 PHE 37 2.334 1.627 6.520 303 HD2 PHE 37 HD1 PHE 37 2.118 5.790 5.650 304 HE1 PHE 37 HE2 PHE 37 4.281 1.411 5.035 305 HE2 PHE 37 HE1 PHE 37 4.074 5.581 4.171 306 HZ PHE 37 HZ PHE 37 5.156 3.391 3.860 307 H LYS 38 HN LYS 38 1.960 4.389 10.954 308 HA LYS 38 HA LYS 38 3.012 7.043 10.228 309 HB2 LYS 38 HB2 LYS 38 2.365 7.788 12.547 310 HB3 LYS 38 HB1 LYS 38 1.022 7.464 11.465 311 HG2 LYS 38 HG2 LYS 38 0.655 5.305 12.563 312 HG3 LYS 38 HG1 LYS 38 2.012 5.627 13.645 313 HD2 LYS 38 HD2 LYS 38 0.846 7.602 14.511 314 HD3 LYS 38 HD1 LYS 38 -0.509 7.273 13.431 315 HE2 LYS 38 HE2 LYS 38 -0.878 5.128 14.547 316 HE3 LYS 38 HE1 LYS 38 0.482 5.451 15.621 317 HZ1 LYS 38 HZ1 LYS 38 -1.622 5.970 16.682 318 HZ2 LYS 38 HZ2 LYS 38 -2.008 7.062 15.449 319 HZ3 LYS 38 HZ3 LYS 38 -0.704 7.376 16.479 320 H CYS 39 HN CYS 39 4.690 7.903 11.655 321 HA CYS 39 HA CYS 39 6.818 6.079 12.053 322 HB2 CYS 39 HB2 CYS 39 7.002 8.557 11.533 323 HB3 CYS 39 HB1 CYS 39 6.627 8.854 13.224 324 H ALA 40 HN ALA 40 7.813 5.338 13.929 325 HA ALA 40 HA ALA 40 6.051 5.143 16.258 326 HB1 ALA 40 HB1 ALA 40 6.876 3.061 15.311 327 HB2 ALA 40 HB2 ALA 40 7.489 3.288 16.949 328 HB3 ALA 40 HB3 ALA 40 8.540 3.588 15.563 329 H ALA 41 HN ALA 41 8.598 7.053 15.272 330 HA ALA 41 HA ALA 41 9.703 7.357 17.974 331 HB1 ALA 41 HB1 ALA 41 11.284 6.928 16.119 332 HB2 ALA 41 HB2 ALA 41 11.592 8.446 16.964 333 HB3 ALA 41 HB3 ALA 41 10.795 8.459 15.390 334 H CYS 42 HN CYS 42 8.510 9.366 15.256 335 HA CYS 42 HA CYS 42 8.018 11.535 17.185 336 HB2 CYS 42 HB2 CYS 42 8.094 13.091 15.330 337 HB3 CYS 42 HB1 CYS 42 9.543 12.096 15.320 338 H GLN 43 HN GLN 43 6.418 9.112 15.607 339 HA GLN 43 HA GLN 43 4.260 8.536 15.284 340 HB2 GLN 43 HB2 GLN 43 3.839 10.927 17.057 341 HB3 GLN 43 HB1 GLN 43 2.481 10.013 16.421 342 HG2 GLN 43 HG2 GLN 43 4.695 8.677 17.937 343 HG3 GLN 43 HG1 GLN 43 3.344 9.446 18.765 344 HE21 GLN 43 HE21 GLN 43 4.338 6.822 16.717 345 HE22 GLN 43 HE22 GLN 43 2.897 5.881 16.876 346 H LYS 44 HN LYS 44 5.653 10.806 13.601 347 HA LYS 44 HA LYS 44 3.579 12.341 12.426 348 HB2 LYS 44 HB2 LYS 44 6.194 12.597 12.346 349 HB3 LYS 44 HB1 LYS 44 6.049 11.614 10.899 350 HG2 LYS 44 HG2 LYS 44 4.538 13.275 9.926 351 HG3 LYS 44 HG1 LYS 44 4.689 14.260 11.382 352 HD2 LYS 44 HD2 LYS 44 7.096 14.482 10.978 353 HD3 LYS 44 HD1 LYS 44 6.943 13.494 9.525 354 HE2 LYS 44 HE2 LYS 44 6.977 15.731 8.780 355 HE3 LYS 44 HE1 LYS 44 5.293 15.220 8.685 356 HZ1 LYS 44 HZ1 LYS 44 6.490 16.837 10.874 357 HZ2 LYS 44 HZ2 LYS 44 4.872 16.351 10.782 358 HZ3 LYS 44 HZ3 LYS 44 5.497 17.429 9.639 359 H HIS 45 HN HIS 45 2.881 12.197 10.149 360 HA HIS 45 HA HIS 45 2.263 9.412 9.447 361 HB2 HIS 45 HB2 HIS 45 0.910 12.017 8.720 362 HB3 HIS 45 HB1 HIS 45 0.483 10.476 7.985 363 HD1 HIS 45 HD1 HIS 45 -1.088 8.988 9.267 364 HD2 HIS 45 HD2 HIS 45 0.318 12.170 11.540 365 HE1 HIS 45 HE1 HIS 45 -2.435 8.944 11.390 366 HE2 HIS 45 HE2 HIS 45 -1.631 10.934 12.708 367 H PHE 46 HN PHE 46 2.412 8.683 7.304 368 HA PHE 46 HA PHE 46 4.467 10.071 5.729 369 HB2 PHE 46 HB2 PHE 46 3.616 7.177 5.803 370 HB3 PHE 46 HB1 PHE 46 4.739 7.818 4.618 371 HD1 PHE 46 HD2 PHE 46 4.251 7.611 8.315 372 HD2 PHE 46 HD1 PHE 46 6.997 7.714 5.064 373 HE1 PHE 46 HE2 PHE 46 6.094 7.212 9.875 374 HE2 PHE 46 HE1 PHE 46 8.855 7.308 6.625 375 HZ PHE 46 HZ PHE 46 8.405 7.057 9.037 376 H SER 47 HN SER 47 4.157 10.619 3.659 377 HA SER 47 HA SER 47 1.503 10.139 2.472 378 HB2 SER 47 HB2 SER 47 1.875 12.500 3.244 379 HB3 SER 47 HB1 SER 47 3.206 12.616 2.094 380 HG SER 47 HG SER 47 0.755 13.171 1.587 381 H VAL 48 HN VAL 48 1.481 10.339 0.061 382 HA VAL 48 HA VAL 48 3.392 8.616 -1.115 383 HB VAL 48 HB VAL 48 2.295 9.298 -3.319 384 HG11 VAL 48 HG11 VAL 48 0.578 8.188 -1.105 385 HG12 VAL 48 HG12 VAL 48 1.702 7.279 -2.117 386 HG13 VAL 48 HG13 VAL 48 0.266 8.013 -2.832 387 HG21 VAL 48 HG21 VAL 48 0.115 10.426 -3.165 388 HG22 VAL 48 HG22 VAL 48 1.433 11.491 -2.676 389 HG23 VAL 48 HG23 VAL 48 0.404 10.745 -1.454 390 H GLY 49 HN GLY 49 5.141 8.936 -2.383 391 HA2 GLY 49 HA2 GLY 49 6.446 10.291 -3.907 392 HA3 GLY 49 HA1 GLY 49 5.895 11.713 -3.036 393 H ASP 50 HN ASP 50 6.359 10.411 -0.407 394 HA ASP 50 HA ASP 50 9.221 10.967 -0.234 395 HB2 ASP 50 HB2 ASP 50 7.053 10.709 1.854 396 HB3 ASP 50 HB1 ASP 50 8.756 10.884 2.264 397 H ARG 51 HN ARG 51 10.687 9.599 0.869 398 HA ARG 51 HA ARG 51 10.136 6.776 0.481 399 HB2 ARG 51 HB2 ARG 51 12.555 6.473 0.973 400 HB3 ARG 51 HB1 ARG 51 12.208 7.484 -0.416 401 HG2 ARG 51 HG2 ARG 51 12.672 9.482 0.927 402 HG3 ARG 51 HG1 ARG 51 13.034 8.453 2.317 403 HD2 ARG 51 HD2 ARG 51 15.141 8.799 1.466 404 HD3 ARG 51 HD1 ARG 51 14.674 7.300 0.663 405 HE ARG 51 HE ARG 51 13.911 9.452 -0.958 406 HH11 ARG 51 HH11 ARG 51 16.867 7.897 0.131 407 HH12 ARG 51 HH12 ARG 51 17.762 8.354 -1.280 408 HH21 ARG 51 HH21 ARG 51 15.103 10.039 -2.794 409 HH22 ARG 51 HH22 ARG 51 16.764 9.566 -2.933 410 H TYR 52 HN TYR 52 9.938 5.247 2.018 411 HA TYR 52 HA TYR 52 10.214 6.095 4.825 412 HB2 TYR 52 HB2 TYR 52 8.234 4.938 5.435 413 HB3 TYR 52 HB1 TYR 52 7.824 5.881 4.016 414 HD1 TYR 52 HD1 TYR 52 7.612 4.702 1.790 415 HD2 TYR 52 HD2 TYR 52 7.969 2.581 5.465 416 HE1 TYR 52 HE1 TYR 52 6.734 2.678 0.705 417 HE2 TYR 52 HE2 TYR 52 7.088 0.557 4.390 418 HH TYR 52 HH TYR 52 5.708 -0.046 2.444 419 H LEU 53 HN LEU 53 10.767 4.485 6.347 420 HA LEU 53 HA LEU 53 12.121 2.145 5.179 421 HB2 LEU 53 HB2 LEU 53 13.580 3.942 6.197 422 HB3 LEU 53 HB1 LEU 53 12.855 3.557 7.745 423 HG LEU 53 HG LEU 53 13.910 1.180 6.453 424 HD11 LEU 53 HD11 LEU 53 15.757 3.510 6.893 425 HD12 LEU 53 HD12 LEU 53 15.541 2.556 5.427 426 HD13 LEU 53 HD13 LEU 53 16.308 1.836 6.843 427 HD21 LEU 53 HD21 LEU 53 14.931 0.866 8.616 428 HD22 LEU 53 HD22 LEU 53 13.268 1.419 8.826 429 HD23 LEU 53 HD23 LEU 53 14.606 2.544 9.049 430 H LEU 54 HN LEU 54 11.416 0.219 5.804 431 HA LEU 54 HA LEU 54 9.343 0.049 7.834 432 HB2 LEU 54 HB2 LEU 54 9.366 -1.069 5.478 433 HB3 LEU 54 HB1 LEU 54 10.380 -2.275 6.241 434 HG LEU 54 HG LEU 54 7.777 -1.633 7.546 435 HD11 LEU 54 HD11 LEU 54 7.150 -1.799 5.210 436 HD12 LEU 54 HD12 LEU 54 6.621 -3.235 6.086 437 HD13 LEU 54 HD13 LEU 54 8.049 -3.308 5.054 438 HD21 LEU 54 HD21 LEU 54 9.320 -4.189 7.102 439 HD22 LEU 54 HD22 LEU 54 7.843 -4.026 8.052 440 HD23 LEU 54 HD23 LEU 54 9.322 -3.220 8.575 441 H ILE 55 HN ILE 55 9.897 -0.235 9.868 442 HA ILE 55 HA ILE 55 12.390 -1.583 10.545 443 HB ILE 55 HB ILE 55 11.408 0.666 11.594 444 HG12 ILE 55 HG12 ILE 55 12.746 -0.082 13.758 445 HG13 ILE 55 HG11 ILE 55 13.164 -1.453 12.738 446 HG21 ILE 55 HG21 ILE 55 10.484 -1.361 13.621 447 HG22 ILE 55 HG22 ILE 55 9.408 -0.440 12.567 448 HG23 ILE 55 HG23 ILE 55 10.409 0.397 13.754 449 HD11 ILE 55 HD11 ILE 55 14.844 0.331 12.672 450 HD12 ILE 55 HD12 ILE 55 13.629 1.435 12.027 451 HD13 ILE 55 HD13 ILE 55 14.128 0.027 11.089 452 H ASN 56 HN ASN 56 12.160 -2.912 12.733 453 HA ASN 56 HA ASN 56 11.153 -5.392 12.172 454 HB2 ASN 56 HB2 ASN 56 11.447 -4.194 14.930 455 HB3 ASN 56 HB1 ASN 56 11.402 -5.910 14.548 456 HD21 ASN 56 HD21 ASN 56 13.239 -2.964 14.305 457 HD22 ASN 56 HD22 ASN 56 14.764 -3.701 13.976 458 H SER 57 HN SER 57 9.376 -2.755 13.731 459 HA SER 57 HA SER 57 7.003 -4.499 13.787 460 HB2 SER 57 HB2 SER 57 7.686 -2.250 15.688 461 HB3 SER 57 HB1 SER 57 6.182 -3.170 15.705 462 HG SER 57 HG SER 57 7.201 -4.579 16.864 463 H ASP 58 HN ASP 58 7.822 -0.996 13.691 464 HA ASP 58 HA ASP 58 5.517 -0.631 11.883 465 HB2 ASP 58 HB2 ASP 58 6.522 1.121 14.122 466 HB3 ASP 58 HB1 ASP 58 5.437 1.730 12.876 467 H ILE 59 HN ILE 59 5.989 2.076 11.255 468 HA ILE 59 HA ILE 59 8.381 1.867 9.549 469 HB ILE 59 HB ILE 59 5.931 3.626 9.195 470 HG12 ILE 59 HG12 ILE 59 5.903 2.077 7.011 471 HG13 ILE 59 HG11 ILE 59 6.684 0.955 8.118 472 HG21 ILE 59 HG21 ILE 59 8.398 3.323 7.510 473 HG22 ILE 59 HG22 ILE 59 7.730 4.793 8.216 474 HG23 ILE 59 HG23 ILE 59 6.885 3.990 6.893 475 HD11 ILE 59 HD11 ILE 59 4.075 2.319 8.725 476 HD12 ILE 59 HD12 ILE 59 4.814 0.960 9.573 477 HD13 ILE 59 HD13 ILE 59 4.198 0.747 7.933 478 H VAL 60 HN VAL 60 9.967 3.392 9.643 479 HA VAL 60 HA VAL 60 9.616 5.604 11.567 480 HB VAL 60 HB VAL 60 12.255 4.208 11.042 481 HG11 VAL 60 HG11 VAL 60 11.399 6.124 13.216 482 HG12 VAL 60 HG12 VAL 60 12.475 6.490 11.868 483 HG13 VAL 60 HG13 VAL 60 12.973 5.336 13.105 484 HG21 VAL 60 HG21 VAL 60 12.014 2.963 13.047 485 HG22 VAL 60 HG22 VAL 60 10.530 2.715 12.128 486 HG23 VAL 60 HG23 VAL 60 10.545 3.830 13.492 487 H CYS 61 HN CYS 61 9.880 7.570 10.766 488 HA CYS 61 HA CYS 61 10.462 8.107 8.062 489 HB2 CYS 61 HB2 CYS 61 10.151 10.393 8.608 490 HB3 CYS 61 HB1 CYS 61 9.073 9.502 9.672 491 H GLU 62 HN GLU 62 12.178 9.486 7.200 492 HA GLU 62 HA GLU 62 14.770 8.565 7.789 493 HB2 GLU 62 HB2 GLU 62 13.701 9.708 5.644 494 HB3 GLU 62 HB1 GLU 62 14.397 11.155 6.358 495 HG2 GLU 62 HG2 GLU 62 16.602 10.100 6.353 496 HG3 GLU 62 HG1 GLU 62 15.903 8.648 5.638 497 H GLN 63 HN GLN 63 12.917 11.108 9.174 498 HA GLN 63 HA GLN 63 14.999 12.804 10.094 499 HB2 GLN 63 HB2 GLN 63 12.375 13.125 9.972 500 HB3 GLN 63 HB1 GLN 63 12.450 12.538 11.626 501 HG2 GLN 63 HG2 GLN 63 13.983 14.350 12.203 502 HG3 GLN 63 HG1 GLN 63 13.920 14.935 10.542 503 HE21 GLN 63 HE21 GLN 63 12.052 15.938 9.794 504 HE22 GLN 63 HE22 GLN 63 10.834 16.530 10.868 505 H ASP 64 HN ASP 64 13.340 10.032 11.570 506 HA ASP 64 HA ASP 64 15.222 10.128 13.840 507 HB2 ASP 64 HB2 ASP 64 12.712 8.477 13.859 508 HB3 ASP 64 HB1 ASP 64 13.620 9.115 15.218 509 H ILE 65 HN ILE 65 15.130 8.631 10.986 510 HA ILE 65 HA ILE 65 15.150 5.883 11.420 511 HB ILE 65 HB ILE 65 15.047 6.761 9.183 512 HG12 ILE 65 HG12 ILE 65 17.196 4.830 9.904 513 HG13 ILE 65 HG11 ILE 65 15.746 4.587 8.945 514 HG21 ILE 65 HG21 ILE 65 17.887 7.725 9.529 515 HG22 ILE 65 HG22 ILE 65 16.445 8.733 9.408 516 HG23 ILE 65 HG23 ILE 65 16.963 7.767 8.027 517 HD11 ILE 65 HD11 ILE 65 17.769 4.290 7.626 518 HD12 ILE 65 HD12 ILE 65 18.272 5.936 8.018 519 HD13 ILE 65 HD13 ILE 65 16.825 5.664 7.041 520 H TYR 66 HN TYR 66 18.022 8.010 11.327 521 HA TYR 66 HA TYR 66 19.955 6.080 11.847 522 HB2 TYR 66 HB2 TYR 66 20.413 8.358 11.001 523 HB3 TYR 66 HB1 TYR 66 20.025 9.017 12.584 524 HD1 TYR 66 HD2 TYR 66 21.555 8.761 14.446 525 HD2 TYR 66 HD1 TYR 66 22.514 7.191 10.611 526 HE1 TYR 66 HE2 TYR 66 23.883 8.493 15.155 527 HE2 TYR 66 HE1 TYR 66 24.860 6.918 11.308 528 HH TYR 66 HH TYR 66 25.857 7.159 14.548 529 H GLU 67 HN GLU 67 18.435 8.300 14.220 530 HA GLU 67 HA GLU 67 19.758 7.257 16.486 531 HB2 GLU 67 HB2 GLU 67 17.249 8.896 16.168 532 HB3 GLU 67 HB1 GLU 67 17.845 8.404 17.747 533 HG2 GLU 67 HG2 GLU 67 19.950 9.570 17.316 534 HG3 GLU 67 HG1 GLU 67 19.348 10.065 15.735 535 H TRP 68 HN TRP 68 16.601 6.453 15.048 536 HA TRP 68 HA TRP 68 15.680 4.765 17.127 537 HB2 TRP 68 HB2 TRP 68 14.200 5.745 15.400 538 HB3 TRP 68 HB1 TRP 68 14.942 4.707 14.189 539 HD1 TRP 68 HD1 TRP 68 14.251 2.152 14.163 540 HE1 TRP 68 HE1 TRP 68 12.283 0.866 15.217 541 HE3 TRP 68 HE3 TRP 68 12.665 5.677 17.523 542 HZ2 TRP 68 HZ2 TRP 68 10.328 1.284 17.204 543 HZ3 TRP 68 HZ3 TRP 68 10.742 5.149 18.963 544 HH2 TRP 68 HH2 TRP 68 9.600 2.998 18.805 545 H THR 69 HN THR 69 17.293 3.991 14.037 546 HA THR 69 HA THR 69 17.422 1.193 14.405 547 HB THR 69 HB THR 69 19.294 1.283 12.704 548 HG1 THR 69 HG1 THR 69 19.783 3.577 13.383 549 HG21 THR 69 HG21 THR 69 16.715 2.702 12.027 550 HG22 THR 69 HG22 THR 69 16.992 0.960 11.997 551 HG23 THR 69 HG23 THR 69 17.832 2.008 10.853 552 H LYS 70 HN LYS 70 19.376 3.803 15.515 553 HA LYS 70 HA LYS 70 21.755 2.453 16.218 554 HB2 LYS 70 HB2 LYS 70 21.076 5.014 16.065 555 HB3 LYS 70 HB1 LYS 70 20.776 4.802 17.783 556 HG2 LYS 70 HG2 LYS 70 23.078 4.077 18.104 557 HG3 LYS 70 HG1 LYS 70 23.376 4.269 16.375 558 HD2 LYS 70 HD2 LYS 70 22.602 6.689 16.702 559 HD3 LYS 70 HD1 LYS 70 22.804 6.385 18.428 560 HE2 LYS 70 HE2 LYS 70 25.150 5.714 17.976 561 HE3 LYS 70 HE1 LYS 70 24.915 6.176 16.291 562 HZ1 LYS 70 HZ1 LYS 70 25.980 7.938 17.556 563 HZ2 LYS 70 HZ2 LYS 70 24.671 7.995 18.625 564 HZ3 LYS 70 HZ3 LYS 70 24.459 8.435 17.006 565 H ILE 71 HN ILE 71 18.805 3.170 18.036 566 HA ILE 71 HA ILE 71 19.786 1.933 20.473 567 HB ILE 71 HB ILE 71 16.939 2.819 20.033 568 HG12 ILE 71 HG12 ILE 71 18.234 4.751 19.351 569 HG13 ILE 71 HG11 ILE 71 17.546 5.064 20.935 570 HG21 ILE 71 HG21 ILE 71 17.335 1.576 22.068 571 HG22 ILE 71 HG22 ILE 71 16.978 3.261 22.451 572 HG23 ILE 71 HG23 ILE 71 18.640 2.675 22.519 573 HD11 ILE 71 HD11 ILE 71 19.814 5.924 20.766 574 HD12 ILE 71 HD12 ILE 71 20.415 4.316 20.367 575 HD13 ILE 71 HD13 ILE 71 19.732 4.631 21.962 576 H ASN 72 HN ASN 72 17.231 1.247 18.076 577 HA ASN 72 HA ASN 72 16.436 -1.208 19.341 578 HB2 ASN 72 HB2 ASN 72 15.702 0.123 16.746 579 HB3 ASN 72 HB1 ASN 72 15.119 -1.488 17.152 580 HD21 ASN 72 HD21 ASN 72 14.916 1.894 17.844 581 HD22 ASN 72 HD22 ASN 72 13.544 1.811 18.889 582 H GLY 73 HN GLY 73 18.652 -0.359 16.766 583 HA2 GLY 73 HA2 GLY 73 19.026 -3.192 16.075 584 HA3 GLY 73 HA1 GLY 73 19.600 -1.822 15.136 585 H GLY 74 HN GLY 74 21.047 -4.182 16.066 586 HA2 GLY 74 HA2 GLY 74 23.236 -2.780 17.439 587 HA3 GLY 74 HA1 GLY 74 22.669 -4.312 18.084 588 H SER 75 HN SER 75 25.255 -3.334 16.813 589 HA SER 75 HA SER 75 25.469 -5.205 14.565 590 HB2 SER 75 HB2 SER 75 26.275 -2.839 14.302 591 HB3 SER 75 HB1 SER 75 27.511 -3.181 15.512 592 HG SER 75 HG SER 75 27.855 -5.091 13.893 593 H GLY 76 HN GLY 76 26.833 -6.938 14.566 594 HA2 GLY 76 HA2 GLY 76 28.883 -7.434 16.437 595 HA3 GLY 76 HA1 GLY 76 27.414 -8.232 16.978 596 H GLY 77 HN GLY 77 29.034 -7.765 13.835 597 HA2 GLY 77 HA2 GLY 77 30.173 -10.025 13.171 598 HA3 GLY 77 HA1 GLY 77 28.505 -10.579 13.190 599 H SER 78 HN SER 78 30.711 -10.057 11.080 600 HA SER 78 HA SER 78 29.192 -8.336 9.252 601 HB2 SER 78 HB2 SER 78 32.015 -9.413 9.035 602 HB3 SER 78 HB1 SER 78 31.244 -8.334 7.872 603 HG SER 78 HG SER 78 31.721 -7.755 10.611 604 H GLY 79 HN GLY 79 28.252 -9.081 7.439 605 HA2 GLY 79 HA2 GLY 79 28.911 -11.632 6.275 606 HA3 GLY 79 HA1 GLY 79 27.366 -11.634 7.112 607 H GLY 80 HN GLY 80 25.617 -10.590 6.233 608 HA2 GLY 80 HA2 GLY 80 25.995 -9.586 3.479 609 HA3 GLY 80 HA1 GLY 80 24.557 -10.429 4.036 610 H SER 81 HN SER 81 22.980 -9.342 5.144 611 HA SER 81 HA SER 81 21.581 -7.626 5.600 612 HB2 SER 81 HB2 SER 81 22.434 -5.854 7.093 613 HB3 SER 81 HB1 SER 81 22.969 -7.455 7.597 614 HG SER 81 HG SER 81 24.534 -5.539 7.407 615 H GLY 82 HN GLY 82 20.652 -6.570 4.021 616 HA2 GLY 82 HA2 GLY 82 22.238 -4.665 2.422 617 HA3 GLY 82 HA1 GLY 82 20.772 -5.466 1.875 618 H GLY 83 HN GLY 83 21.477 -2.607 1.964 619 HA2 GLY 83 HA2 GLY 83 19.330 -1.647 3.756 620 HA3 GLY 83 HA1 GLY 83 20.749 -0.698 3.340 621 H ASP 84 HN ASP 84 17.584 -1.658 2.425 622 HA ASP 84 HA ASP 84 17.728 0.086 0.052 623 HB2 ASP 84 HB2 ASP 84 16.244 -2.524 0.381 624 HB3 ASP 84 HB1 ASP 84 15.888 -1.380 -0.908 625 H VAL 85 HN VAL 85 15.983 1.427 -0.342 626 HA VAL 85 HA VAL 85 13.927 1.567 1.770 627 HB VAL 85 HB VAL 85 14.957 4.039 0.371 628 HG11 VAL 85 HG11 VAL 85 13.533 3.658 3.006 629 HG12 VAL 85 HG12 VAL 85 12.793 4.210 1.504 630 HG13 VAL 85 HG13 VAL 85 14.015 5.201 2.300 631 HG21 VAL 85 HG21 VAL 85 15.979 2.929 2.987 632 HG22 VAL 85 HG22 VAL 85 16.368 4.515 2.322 633 HG23 VAL 85 HG23 VAL 85 16.891 3.055 1.483 634 H MET 86 HN MET 86 11.854 1.918 1.121 635 HA MET 86 HA MET 86 11.365 2.148 -1.777 636 HB2 MET 86 HB2 MET 86 9.958 0.478 0.301 637 HB3 MET 86 HB1 MET 86 9.208 0.867 -1.241 638 HG2 MET 86 HG2 MET 86 11.089 -0.208 -2.405 639 HG3 MET 86 HG1 MET 86 11.786 -0.638 -0.845 640 HE1 MET 86 HE1 MET 86 9.344 -1.579 -3.647 641 HE2 MET 86 HE2 MET 86 8.195 -0.793 -2.563 642 HE3 MET 86 HE3 MET 86 8.100 -2.533 -2.839 643 H VAL 87 HN VAL 87 9.471 3.268 -2.438 644 HA VAL 87 HA VAL 87 8.718 5.437 -0.655 645 HB VAL 87 HB VAL 87 7.762 5.154 -3.499 646 HG11 VAL 87 HG11 VAL 87 8.414 7.541 -1.786 647 HG12 VAL 87 HG12 VAL 87 6.803 6.938 -2.169 648 HG13 VAL 87 HG13 VAL 87 7.823 7.600 -3.446 649 HG21 VAL 87 HG21 VAL 87 10.447 6.265 -2.670 650 HG22 VAL 87 HG22 VAL 87 9.743 6.372 -4.283 651 HG23 VAL 87 HG23 VAL 87 10.175 4.799 -3.613 652 H VAL 88 HN VAL 88 6.516 6.022 -0.265 653 HA VAL 88 HA VAL 88 4.784 3.869 0.347 654 HB VAL 88 HB VAL 88 3.806 6.711 0.095 655 HG11 VAL 88 HG11 VAL 88 3.161 4.563 2.110 656 HG12 VAL 88 HG12 VAL 88 2.189 4.945 0.690 657 HG13 VAL 88 HG13 VAL 88 2.389 6.142 1.970 658 HG21 VAL 88 HG21 VAL 88 4.593 7.117 2.411 659 HG22 VAL 88 HG22 VAL 88 5.909 6.933 1.252 660 HG23 VAL 88 HG23 VAL 88 5.498 5.604 2.335 661 H GLY 89 HN GLY 89 3.799 2.653 -1.113 662 HA2 GLY 89 HA2 GLY 89 3.234 3.388 -3.787 663 HA3 GLY 89 HA1 GLY 89 2.650 1.950 -2.970 664 H GLU 90 HN GLU 90 1.297 3.693 -4.881 665 HA GLU 90 HA GLU 90 -0.623 5.342 -3.629 666 HB2 GLU 90 HB2 GLU 90 -0.535 3.998 -6.321 667 HB3 GLU 90 HB1 GLU 90 -1.889 5.002 -5.826 668 HG2 GLU 90 HG2 GLU 90 -0.377 6.899 -5.531 669 HG3 GLU 90 HG1 GLU 90 0.980 5.891 -6.033 670 HA PRO 91 HA PRO 91 -3.188 1.985 -1.931 671 HB2 PRO 91 HB2 PRO 91 -5.065 4.097 -1.150 672 HB3 PRO 91 HB1 PRO 91 -4.168 2.969 -0.133 673 HG2 PRO 91 HG2 PRO 91 -3.582 5.595 -0.211 674 HG3 PRO 91 HG1 PRO 91 -2.335 4.357 0.020 675 HD2 PRO 91 HD2 PRO 91 -3.066 5.871 -2.461 676 HD3 PRO 91 HD1 PRO 91 -1.463 5.455 -1.820 677 H THR 92 HN THR 92 -5.105 0.949 -2.459 678 HA THR 92 HA THR 92 -6.666 2.146 -4.660 679 HB THR 92 HB THR 92 -7.115 -0.256 -5.376 680 HG1 THR 92 HG1 THR 92 -5.851 -1.840 -4.556 681 HG21 THR 92 HG21 THR 92 -5.014 -0.442 -6.627 682 HG22 THR 92 HG22 THR 92 -4.279 0.767 -5.573 683 HG23 THR 92 HG23 THR 92 -5.618 1.216 -6.630 684 H LEU 93 HN LEU 93 -8.596 2.709 -3.941 685 HA LEU 93 HA LEU 93 -9.834 1.678 -1.615 686 HB2 LEU 93 HB2 LEU 93 -11.840 2.967 -2.394 687 HB3 LEU 93 HB1 LEU 93 -10.368 3.897 -2.216 688 HG LEU 93 HG LEU 93 -10.233 3.302 -4.858 689 HD11 LEU 93 HD11 LEU 93 -12.447 3.613 -5.836 690 HD12 LEU 93 HD12 LEU 93 -13.166 3.596 -4.226 691 HD13 LEU 93 HD13 LEU 93 -12.381 2.149 -4.856 692 HD21 LEU 93 HD21 LEU 93 -11.708 5.609 -3.592 693 HD22 LEU 93 HD22 LEU 93 -11.081 5.572 -5.240 694 HD23 LEU 93 HD23 LEU 93 -9.970 5.507 -3.873 695 H MET 94 HN MET 94 -11.020 -0.037 -1.270 696 HA MET 94 HA MET 94 -11.908 -2.113 -1.590 697 HB2 MET 94 HB2 MET 94 -13.731 -0.290 -3.141 698 HB3 MET 94 HB1 MET 94 -14.111 -1.987 -2.891 699 HG2 MET 94 HG2 MET 94 -14.037 -1.646 -0.471 700 HG3 MET 94 HG1 MET 94 -13.665 0.058 -0.727 701 HE1 MET 94 HE1 MET 94 -16.091 -1.016 1.082 702 HE2 MET 94 HE2 MET 94 -17.360 0.114 0.610 703 HE3 MET 94 HE3 MET 94 -15.714 0.693 0.864 704 H GLY 95 HN GLY 95 -12.740 -1.061 -4.894 705 HA2 GLY 95 HA2 GLY 95 -10.739 -2.392 -6.306 706 HA3 GLY 95 HA1 GLY 95 -12.031 -3.551 -6.037 707 H GLY 96 HN GLY 96 -14.301 -2.213 -6.366 708 HA2 GLY 96 HA2 GLY 96 -14.136 -0.716 -8.888 709 HA3 GLY 96 HA1 GLY 96 -15.096 -2.188 -8.851 710 H GLU 97 HN GLU 97 -15.292 1.062 -8.698 711 HA GLU 97 HA GLU 97 -17.575 1.096 -6.852 712 HB2 GLU 97 HB2 GLU 97 -17.351 3.605 -6.990 713 HB3 GLU 97 HB1 GLU 97 -16.006 2.772 -6.232 714 HG2 GLU 97 HG2 GLU 97 -14.705 3.001 -8.300 715 HG3 GLU 97 HG1 GLU 97 -16.059 3.842 -9.052 716 H PHE 98 HN PHE 98 -19.554 2.034 -7.443 717 HA PHE 98 HA PHE 98 -20.074 1.989 -10.337 718 HB2 PHE 98 HB2 PHE 98 -21.888 1.470 -7.978 719 HB3 PHE 98 HB1 PHE 98 -22.487 1.665 -9.622 720 HD1 PHE 98 HD2 PHE 98 -22.095 -0.036 -11.298 721 HD2 PHE 98 HD1 PHE 98 -20.655 -0.501 -7.321 722 HE1 PHE 98 HE2 PHE 98 -21.704 -2.428 -11.724 723 HE2 PHE 98 HE1 PHE 98 -20.260 -2.892 -7.739 724 HZ PHE 98 HZ PHE 98 -20.786 -3.859 -9.943 725 H GLY 99 HN GLY 99 -20.806 3.796 -7.365 726 HA2 GLY 99 HA2 GLY 99 -20.682 6.221 -7.420 727 HA3 GLY 99 HA1 GLY 99 -21.359 6.163 -9.040 728 H ASP 100 HN ASP 100 -23.538 6.107 -9.327 729 HA ASP 100 HA ASP 100 -25.735 6.452 -8.918 730 HB2 ASP 100 HB2 ASP 100 -25.145 4.696 -6.528 731 HB3 ASP 100 HB1 ASP 100 -26.767 5.224 -6.965 732 H GLU 101 HN GLU 101 -26.121 8.526 -8.631 733 HA GLU 101 HA GLU 101 -25.410 9.899 -6.170 734 HB2 GLU 101 HB2 GLU 101 -26.547 10.824 -8.800 735 HB3 GLU 101 HB1 GLU 101 -26.417 11.895 -7.412 736 HG2 GLU 101 HG2 GLU 101 -24.001 11.547 -7.363 737 HG3 GLU 101 HG1 GLU 101 -24.129 10.466 -8.750 738 H ASP 102 HN ASP 102 -28.181 8.380 -7.510 739 HA ASP 102 HA ASP 102 -30.124 9.909 -6.000 740 HB2 ASP 102 HB2 ASP 102 -30.355 7.485 -7.781 741 HB3 ASP 102 HB1 ASP 102 -31.727 8.165 -6.910 742 H GLU 103 HN GLU 103 -28.229 7.065 -5.508 743 HA GLU 103 HA GLU 103 -29.957 5.975 -3.442 744 HB2 GLU 103 HB2 GLU 103 -27.325 5.109 -4.613 745 HB3 GLU 103 HB1 GLU 103 -27.996 4.338 -3.183 746 HG2 GLU 103 HG2 GLU 103 -30.020 3.776 -4.472 747 HG3 GLU 103 HG1 GLU 103 -29.274 4.481 -5.906 748 H ARG 104 HN ARG 104 -26.932 7.770 -3.662 749 HA ARG 104 HA ARG 104 -26.453 7.602 -0.809 750 HB2 ARG 104 HB2 ARG 104 -24.451 9.016 -1.307 751 HB3 ARG 104 HB1 ARG 104 -24.501 7.493 -2.175 752 HG2 ARG 104 HG2 ARG 104 -25.232 8.662 -4.198 753 HG3 ARG 104 HG1 ARG 104 -25.201 10.194 -3.324 754 HD2 ARG 104 HD2 ARG 104 -22.785 8.418 -3.599 755 HD3 ARG 104 HD1 ARG 104 -23.184 9.674 -4.771 756 HE ARG 104 HE ARG 104 -23.167 10.818 -2.213 757 HH11 ARG 104 HH11 ARG 104 -20.876 9.449 -4.496 758 HH12 ARG 104 HH12 ARG 104 -19.554 10.411 -3.922 759 HH21 ARG 104 HH21 ARG 104 -21.423 12.065 -1.477 760 HH22 ARG 104 HH22 ARG 104 -19.864 11.890 -2.213 761 H LEU 105 HN LEU 105 -28.315 9.586 -2.789 762 HA LEU 105 HA LEU 105 -28.048 11.949 -1.087 763 HB2 LEU 105 HB2 LEU 105 -28.264 11.847 -3.728 764 HB3 LEU 105 HB1 LEU 105 -29.977 11.813 -3.361 765 HG LEU 105 HG LEU 105 -28.267 13.968 -2.171 766 HD11 LEU 105 HD11 LEU 105 -27.684 13.972 -4.529 767 HD12 LEU 105 HD12 LEU 105 -28.694 15.364 -4.137 768 HD13 LEU 105 HD13 LEU 105 -29.392 13.974 -4.968 769 HD21 LEU 105 HD21 LEU 105 -31.149 13.809 -3.059 770 HD22 LEU 105 HD22 LEU 105 -30.370 15.250 -2.405 771 HD23 LEU 105 HD23 LEU 105 -30.551 13.813 -1.399 772 H ILE 106 HN ILE 106 -30.551 9.657 -2.176 773 HA ILE 106 HA ILE 106 -32.001 10.105 0.315 774 HB ILE 106 HB ILE 106 -34.206 10.084 -1.014 775 HG12 ILE 106 HG12 ILE 106 -33.715 11.569 -3.201 776 HG13 ILE 106 HG11 ILE 106 -32.244 10.604 -3.199 777 HG21 ILE 106 HG21 ILE 106 -33.459 11.957 0.314 778 HG22 ILE 106 HG22 ILE 106 -34.203 12.529 -1.179 779 HG23 ILE 106 HG23 ILE 106 -32.447 12.526 -1.013 780 HD11 ILE 106 HD11 ILE 106 -35.056 9.534 -3.234 781 HD12 ILE 106 HD12 ILE 106 -33.583 8.564 -3.235 782 HD13 ILE 106 HD13 ILE 106 -33.951 9.610 -4.606 783 H THR 107 HN THR 107 -32.760 8.300 1.187 784 HA THR 107 HA THR 107 -33.384 5.984 -0.458 785 HB THR 107 HB THR 107 -31.051 5.554 -0.032 786 HG1 THR 107 HG1 THR 107 -32.406 3.738 0.143 787 HG21 THR 107 HG21 THR 107 -31.633 5.886 2.917 788 HG22 THR 107 HG22 THR 107 -30.672 6.978 1.922 789 HG23 THR 107 HG23 THR 107 -30.107 5.337 2.227 790 H ARG 108 HN ARG 108 -35.158 5.009 0.230 791 HA ARG 108 HA ARG 108 -35.934 5.234 3.058 792 HB2 ARG 108 HB2 ARG 108 -37.636 5.820 0.640 793 HB3 ARG 108 HB1 ARG 108 -38.343 5.412 2.196 794 HG2 ARG 108 HG2 ARG 108 -37.188 7.339 3.203 795 HG3 ARG 108 HG1 ARG 108 -36.552 7.761 1.612 796 HD2 ARG 108 HD2 ARG 108 -38.825 8.043 0.769 797 HD3 ARG 108 HD1 ARG 108 -39.473 7.592 2.345 798 HE ARG 108 HE ARG 108 -37.684 9.800 2.533 799 HH11 ARG 108 HH11 ARG 108 -40.990 8.984 1.674 800 HH12 ARG 108 HH12 ARG 108 -41.596 10.566 2.036 801 HH21 ARG 108 HH21 ARG 108 -38.499 11.863 3.000 802 HH22 ARG 108 HH22 ARG 108 -40.185 12.193 2.785 803 H LEU 109 HN LEU 109 -36.340 3.341 3.952 804 HA LEU 109 HA LEU 109 -37.346 1.128 2.299 805 HB2 LEU 109 HB2 LEU 109 -35.049 1.006 4.255 806 HB3 LEU 109 HB1 LEU 109 -35.859 -0.414 3.624 807 HG LEU 109 HG LEU 109 -34.693 1.545 1.690 808 HD11 LEU 109 HD11 LEU 109 -33.109 -0.523 3.206 809 HD12 LEU 109 HD12 LEU 109 -32.913 1.225 3.313 810 HD13 LEU 109 HD13 LEU 109 -32.537 0.387 1.808 811 HD21 LEU 109 HD21 LEU 109 -36.016 -0.329 0.856 812 HD22 LEU 109 HD22 LEU 109 -34.967 -1.461 1.710 813 HD23 LEU 109 HD23 LEU 109 -34.324 -0.494 0.383 814 H GLU 110 HN GLU 110 -38.560 -0.452 3.409 815 HA GLU 110 HA GLU 110 -39.798 0.540 5.871 816 HB2 GLU 110 HB2 GLU 110 -40.674 -1.471 3.804 817 HB3 GLU 110 HB1 GLU 110 -41.501 -1.295 5.344 818 HG2 GLU 110 HG2 GLU 110 -41.981 1.045 4.815 819 HG3 GLU 110 HG1 GLU 110 -41.161 0.858 3.266 820 H ASN 111 HN ASN 111 -39.839 -0.569 7.749 821 HA ASN 111 HA ASN 111 -38.942 -1.787 9.432 822 HB2 ASN 111 HB2 ASN 111 -39.398 -4.220 9.316 823 HB3 ASN 111 HB1 ASN 111 -40.768 -3.234 8.835 824 HD21 ASN 111 HD21 ASN 111 -38.385 -5.526 7.824 825 HD22 ASN 111 HD22 ASN 111 -39.066 -5.869 6.273 826 H THR 112 HN THR 112 -36.893 -1.541 9.896 827 HA THR 112 HA THR 112 -34.880 -3.050 8.355 828 HB THR 112 HB THR 112 -33.232 -1.373 9.333 829 HG1 THR 112 HG1 THR 112 -35.386 0.401 9.611 830 HG21 THR 112 HG21 THR 112 -35.345 -0.344 7.434 831 HG22 THR 112 HG22 THR 112 -33.925 -1.294 6.993 832 HG23 THR 112 HG23 THR 112 -33.730 0.335 7.641 833 H GLN 113 HN GLN 113 -33.123 -3.992 9.486 834 HA GLN 113 HA GLN 113 -32.126 -5.260 11.076 835 HB2 GLN 113 HB2 GLN 113 -33.393 -3.231 12.916 836 HB3 GLN 113 HB1 GLN 113 -32.353 -4.523 13.499 837 HG2 GLN 113 HG2 GLN 113 -30.524 -3.673 12.118 838 HG3 GLN 113 HG1 GLN 113 -31.568 -2.375 11.539 839 HE21 GLN 113 HE21 GLN 113 -29.764 -3.623 14.231 840 HE22 GLN 113 HE22 GLN 113 -29.812 -2.188 15.192 841 H PHE 114 HN PHE 114 -32.568 -7.249 11.681 842 HA PHE 114 HA PHE 114 -35.215 -7.859 12.820 843 HB2 PHE 114 HB2 PHE 114 -34.754 -8.521 10.326 844 HB3 PHE 114 HB1 PHE 114 -33.801 -9.818 11.037 845 HD1 PHE 114 HD2 PHE 114 -37.163 -8.475 10.539 846 HD2 PHE 114 HD1 PHE 114 -34.865 -11.621 12.251 847 HE1 PHE 114 HE2 PHE 114 -39.210 -9.812 10.821 848 HE2 PHE 114 HE1 PHE 114 -36.906 -12.964 12.534 849 HZ PHE 114 HZ PHE 114 -39.083 -12.060 11.819 850 H ASP 115 HN ASP 115 -35.284 -9.432 14.404 851 HA ASP 115 HA ASP 115 -32.695 -10.128 15.593 852 HB2 ASP 115 HB2 ASP 115 -34.739 -8.954 16.810 853 HB3 ASP 115 HB1 ASP 115 -35.284 -10.617 17.003 854 H ALA 116 HN ALA 116 -32.256 -12.240 16.326 855 HA ALA 116 HA ALA 116 -33.665 -14.334 14.819 856 HB1 ALA 116 HB1 ALA 116 -30.910 -14.397 16.044 857 HB2 ALA 116 HB2 ALA 116 -31.276 -14.085 14.347 858 HB3 ALA 116 HB3 ALA 116 -31.641 -15.659 15.052 859 H ALA 117 HN ALA 117 -32.633 -13.413 18.052 860 HA ALA 117 HA ALA 117 -33.590 -15.896 19.231 861 HB1 ALA 117 HB1 ALA 117 -32.421 -13.454 20.560 862 HB2 ALA 117 HB2 ALA 117 -31.519 -14.884 20.059 863 HB3 ALA 117 HB3 ALA 117 -32.737 -15.011 21.328 864 H ASN 118 HN ASN 118 -34.495 -12.477 19.127 865 HA ASN 118 HA ASN 118 -36.860 -12.987 20.773 866 HB2 ASN 118 HB2 ASN 118 -35.602 -10.439 19.745 867 HB3 ASN 118 HB1 ASN 118 -37.155 -10.473 20.576 868 HD21 ASN 118 HD21 ASN 118 -37.226 -10.968 22.767 869 HD22 ASN 118 HD22 ASN 118 -35.817 -10.910 23.766 870 H GLY 119 HN GLY 119 -38.858 -13.144 19.981 871 HA2 GLY 119 HA2 GLY 119 -39.318 -12.393 17.159 872 HA3 GLY 119 HA1 GLY 119 -39.914 -13.907 17.822 873 H ILE 120 HN ILE 120 -41.999 -13.139 17.062 874 HA ILE 120 HA ILE 120 -43.243 -11.262 18.957 875 HB ILE 120 HB ILE 120 -43.074 -10.353 16.635 876 HG12 ILE 120 HG12 ILE 120 -45.680 -9.934 16.428 877 HG13 ILE 120 HG11 ILE 120 -45.704 -10.711 18.006 878 HG21 ILE 120 HG21 ILE 120 -44.554 -11.190 14.870 879 HG22 ILE 120 HG22 ILE 120 -44.989 -12.558 15.896 880 HG23 ILE 120 HG23 ILE 120 -43.329 -12.372 15.332 881 HD11 ILE 120 HD11 ILE 120 -45.623 -8.293 18.208 882 HD12 ILE 120 HD12 ILE 120 -44.128 -8.253 17.273 883 HD13 ILE 120 HD13 ILE 120 -44.157 -9.027 18.858 884 H ASP 121 HN ASP 121 -45.379 -11.690 19.620 885 HA ASP 121 HA ASP 121 -46.930 -12.969 20.630 886 HB2 ASP 121 HB2 ASP 121 -48.375 -14.306 19.170 887 HB3 ASP 121 HB1 ASP 121 -47.989 -12.746 18.462 888 H ASP 122 HN ASP 122 -47.134 -14.572 21.994 889 HA ASP 122 HA ASP 122 -46.863 -16.505 23.137 890 HB2 ASP 122 HB2 ASP 122 -45.857 -17.595 20.504 891 HB3 ASP 122 HB1 ASP 122 -46.034 -18.573 21.957 892 H GLU 123 HN GLU 123 -44.009 -15.818 21.115 893 HA GLU 123 HA GLU 123 -41.792 -15.665 21.547 894 HB2 GLU 123 HB2 GLU 123 -42.794 -15.228 24.362 895 HB3 GLU 123 HB1 GLU 123 -41.087 -15.172 23.950 896 HG2 GLU 123 HG2 GLU 123 -43.069 -13.461 22.502 897 HG3 GLU 123 HG1 GLU 123 -42.419 -12.973 24.065 Start of MODEL 20 1 H TYR 1 HT1 TYR 1 -20.437 -8.625 -16.904 2 HA TYR 1 HA TYR 1 -20.719 -7.386 -14.877 3 HB2 TYR 1 HB2 TYR 1 -22.728 -8.945 -14.249 4 HB3 TYR 1 HB1 TYR 1 -21.491 -9.931 -13.479 5 HD1 TYR 1 HD1 TYR 1 -20.321 -9.135 -11.497 6 HD2 TYR 1 HD2 TYR 1 -23.326 -6.766 -13.357 7 HE1 TYR 1 HE1 TYR 1 -20.427 -7.709 -9.496 8 HE2 TYR 1 HE2 TYR 1 -23.441 -5.334 -11.362 9 HH TYR 1 HH TYR 1 -21.114 -5.427 -8.896 10 H LEU 2 HN LEU 2 -18.857 -7.132 -13.778 11 HA LEU 2 HA LEU 2 -16.865 -9.278 -13.984 12 HB2 LEU 2 HB2 LEU 2 -16.562 -6.830 -14.867 13 HB3 LEU 2 HB1 LEU 2 -16.232 -6.458 -13.188 14 HG LEU 2 HG LEU 2 -14.687 -8.681 -14.436 15 HD11 LEU 2 HD11 LEU 2 -14.617 -6.963 -16.157 16 HD12 LEU 2 HD12 LEU 2 -13.057 -7.098 -15.347 17 HD13 LEU 2 HD13 LEU 2 -14.139 -5.762 -14.956 18 HD21 LEU 2 HD21 LEU 2 -12.922 -7.791 -12.995 19 HD22 LEU 2 HD22 LEU 2 -14.387 -8.132 -12.075 20 HD23 LEU 2 HD23 LEU 2 -13.983 -6.470 -12.506 21 H ARG 3 HN ARG 3 -16.142 -10.307 -12.242 22 HA ARG 3 HA ARG 3 -17.320 -9.984 -9.690 23 HB2 ARG 3 HB2 ARG 3 -14.959 -11.589 -10.654 24 HB3 ARG 3 HB1 ARG 3 -15.494 -11.620 -8.980 25 HG2 ARG 3 HG2 ARG 3 -17.665 -12.468 -9.664 26 HG3 ARG 3 HG1 ARG 3 -17.177 -12.384 -11.358 27 HD2 ARG 3 HD2 ARG 3 -15.387 -14.002 -10.911 28 HD3 ARG 3 HD1 ARG 3 -15.898 -14.093 -9.226 29 HE ARG 3 HE ARG 3 -18.139 -14.706 -10.675 30 HH11 ARG 3 HH11 ARG 3 -14.905 -16.063 -10.474 31 HH12 ARG 3 HH12 ARG 3 -15.430 -17.666 -10.868 32 HH21 ARG 3 HH21 ARG 3 -18.801 -16.811 -11.189 33 HH22 ARG 3 HH22 ARG 3 -17.634 -18.087 -11.274 34 H LEU 4 HN LEU 4 -16.504 -9.256 -7.739 35 HA LEU 4 HA LEU 4 -14.110 -7.538 -7.899 36 HB2 LEU 4 HB2 LEU 4 -16.659 -7.128 -6.334 37 HB3 LEU 4 HB1 LEU 4 -15.207 -6.179 -6.087 38 HG LEU 4 HG LEU 4 -15.482 -5.727 -8.690 39 HD11 LEU 4 HD11 LEU 4 -18.307 -6.251 -7.775 40 HD12 LEU 4 HD12 LEU 4 -17.414 -7.182 -8.978 41 HD13 LEU 4 HD13 LEU 4 -17.838 -5.500 -9.301 42 HD21 LEU 4 HD21 LEU 4 -15.407 -4.018 -6.969 43 HD22 LEU 4 HD22 LEU 4 -17.082 -4.355 -6.535 44 HD23 LEU 4 HD23 LEU 4 -16.699 -3.678 -8.118 45 H PHE 5 HN PHE 5 -12.637 -7.616 -6.257 46 HA PHE 5 HA PHE 5 -13.136 -9.484 -4.038 47 HB2 PHE 5 HB2 PHE 5 -10.695 -9.390 -5.821 48 HB3 PHE 5 HB1 PHE 5 -10.725 -10.222 -4.270 49 HD1 PHE 5 HD1 PHE 5 -11.977 -12.273 -3.982 50 HD2 PHE 5 HD2 PHE 5 -11.895 -10.258 -7.730 51 HE1 PHE 5 HE1 PHE 5 -12.874 -14.285 -5.079 52 HE2 PHE 5 HE2 PHE 5 -12.793 -12.265 -8.833 53 HZ PHE 5 HZ PHE 5 -13.284 -14.282 -7.508 54 H GLY 6 HN GLY 6 -11.918 -9.105 -2.129 55 HA2 GLY 6 HA2 GLY 6 -11.177 -6.291 -1.791 56 HA3 GLY 6 HA1 GLY 6 -11.526 -7.433 -0.501 57 H GLN 7 HN GLN 7 -9.653 -6.983 0.658 58 HA GLN 7 HA GLN 7 -7.091 -7.538 -0.662 59 HB2 GLN 7 HB2 GLN 7 -7.821 -5.529 1.104 60 HB3 GLN 7 HB1 GLN 7 -6.944 -6.669 2.121 61 HG2 GLN 7 HG2 GLN 7 -5.299 -5.209 1.395 62 HG3 GLN 7 HG1 GLN 7 -5.129 -6.592 0.317 63 HE21 GLN 7 HE21 GLN 7 -6.088 -3.270 0.598 64 HE22 GLN 7 HE22 GLN 7 -6.189 -2.940 -1.095 65 H ASP 8 HN ASP 8 -5.597 -8.954 0.204 66 HA ASP 8 HA ASP 8 -6.705 -11.028 1.982 67 HB2 ASP 8 HB2 ASP 8 -4.649 -11.167 -0.220 68 HB3 ASP 8 HB1 ASP 8 -4.917 -12.483 0.917 69 H GLY 9 HN GLY 9 -4.514 -8.514 1.825 70 HA2 GLY 9 HA2 GLY 9 -2.557 -9.711 3.642 71 HA3 GLY 9 HA1 GLY 9 -2.394 -8.173 2.814 72 H LEU 10 HN LEU 10 -3.888 -9.850 5.479 73 HA LEU 10 HA LEU 10 -5.288 -7.807 6.749 74 HB2 LEU 10 HB2 LEU 10 -3.830 -10.196 7.862 75 HB3 LEU 10 HB1 LEU 10 -4.804 -9.135 8.859 76 HG LEU 10 HG LEU 10 -6.522 -9.807 6.810 77 HD11 LEU 10 HD11 LEU 10 -6.424 -12.233 6.638 78 HD12 LEU 10 HD12 LEU 10 -4.939 -12.248 7.589 79 HD13 LEU 10 HD13 LEU 10 -4.958 -11.494 5.995 80 HD21 LEU 10 HD21 LEU 10 -6.192 -11.148 9.490 81 HD22 LEU 10 HD22 LEU 10 -7.659 -11.116 8.514 82 HD23 LEU 10 HD23 LEU 10 -7.027 -9.620 9.207 83 H CYS 11 HN CYS 11 -4.758 -6.596 8.730 84 HA CYS 11 HA CYS 11 -2.223 -5.260 8.490 85 HB2 CYS 11 HB2 CYS 11 -4.313 -4.059 9.106 86 HB3 CYS 11 HB1 CYS 11 -4.328 -4.933 10.631 87 H ALA 12 HN ALA 12 -0.431 -5.900 9.345 88 HA ALA 12 HA ALA 12 -0.160 -8.090 11.112 89 HB1 ALA 12 HB1 ALA 12 2.272 -7.185 11.252 90 HB2 ALA 12 HB2 ALA 12 1.733 -6.083 9.985 91 HB3 ALA 12 HB3 ALA 12 1.653 -7.825 9.731 92 H SER 13 HN SER 13 -0.790 -4.792 11.834 93 HA SER 13 HA SER 13 0.312 -5.029 14.536 94 HB2 SER 13 HB2 SER 13 -0.227 -2.610 14.742 95 HB3 SER 13 HB1 SER 13 0.860 -2.965 13.401 96 HG SER 13 HG SER 13 -0.694 -1.597 12.629 97 H CYS 14 HN CYS 14 -2.786 -4.582 12.876 98 HA CYS 14 HA CYS 14 -4.245 -4.578 15.407 99 HB2 CYS 14 HB2 CYS 14 -5.289 -4.388 12.578 100 HB3 CYS 14 HB1 CYS 14 -6.236 -4.171 14.042 101 H ASP 15 HN ASP 15 -3.422 -6.760 12.844 102 HA ASP 15 HA ASP 15 -3.872 -8.940 12.387 103 HB2 ASP 15 HB2 ASP 15 -4.773 -8.953 15.284 104 HB3 ASP 15 HB1 ASP 15 -4.679 -10.404 14.289 105 H LYS 16 HN LYS 16 -5.774 -6.884 11.803 106 HA LYS 16 HA LYS 16 -8.342 -8.332 11.885 107 HB2 LYS 16 HB2 LYS 16 -7.778 -5.371 11.641 108 HB3 LYS 16 HB1 LYS 16 -9.372 -6.077 11.468 109 HG2 LYS 16 HG2 LYS 16 -7.776 -6.494 13.964 110 HG3 LYS 16 HG1 LYS 16 -8.701 -5.015 13.717 111 HD2 LYS 16 HD2 LYS 16 -10.740 -6.332 13.421 112 HD3 LYS 16 HD1 LYS 16 -9.819 -7.820 13.650 113 HE2 LYS 16 HE2 LYS 16 -9.227 -7.099 15.916 114 HE3 LYS 16 HE1 LYS 16 -10.152 -5.616 15.685 115 HZ1 LYS 16 HZ1 LYS 16 -11.267 -8.369 15.632 116 HZ2 LYS 16 HZ2 LYS 16 -12.152 -6.943 15.425 117 HZ3 LYS 16 HZ3 LYS 16 -11.414 -7.271 16.912 118 H ARG 17 HN ARG 17 -9.652 -8.316 10.002 119 HA ARG 17 HA ARG 17 -8.283 -8.702 7.563 120 HB2 ARG 17 HB2 ARG 17 -11.237 -8.293 8.066 121 HB3 ARG 17 HB1 ARG 17 -10.538 -8.912 6.577 122 HG2 ARG 17 HG2 ARG 17 -9.766 -10.377 9.000 123 HG3 ARG 17 HG1 ARG 17 -11.477 -10.456 8.593 124 HD2 ARG 17 HD2 ARG 17 -10.904 -11.217 6.338 125 HD3 ARG 17 HD1 ARG 17 -9.189 -11.124 6.741 126 HE ARG 17 HE ARG 17 -10.471 -12.789 8.601 127 HH11 ARG 17 HH11 ARG 17 -9.574 -12.815 5.205 128 HH12 ARG 17 HH12 ARG 17 -9.439 -14.540 5.136 129 HH21 ARG 17 HH21 ARG 17 -10.289 -15.047 8.486 130 HH22 ARG 17 HH22 ARG 17 -9.845 -15.801 6.992 131 H ILE 18 HN ILE 18 -7.411 -7.168 6.303 132 HA ILE 18 HA ILE 18 -8.226 -4.422 6.471 133 HB ILE 18 HB ILE 18 -6.176 -5.897 4.817 134 HG12 ILE 18 HG12 ILE 18 -6.027 -3.677 6.879 135 HG13 ILE 18 HG11 ILE 18 -5.598 -5.364 7.141 136 HG21 ILE 18 HG21 ILE 18 -6.596 -2.925 4.535 137 HG22 ILE 18 HG22 ILE 18 -7.294 -4.093 3.412 138 HG23 ILE 18 HG23 ILE 18 -5.542 -3.981 3.589 139 HD11 ILE 18 HD11 ILE 18 -4.144 -3.435 5.340 140 HD12 ILE 18 HD12 ILE 18 -3.724 -5.130 5.590 141 HD13 ILE 18 HD13 ILE 18 -3.616 -3.988 6.929 142 H ARG 19 HN ARG 19 -10.250 -4.105 5.830 143 HA ARG 19 HA ARG 19 -10.888 -4.352 3.005 144 HB2 ARG 19 HB2 ARG 19 -13.131 -5.404 3.497 145 HB3 ARG 19 HB1 ARG 19 -11.749 -6.462 3.708 146 HG2 ARG 19 HG2 ARG 19 -11.881 -6.142 6.139 147 HG3 ARG 19 HG1 ARG 19 -13.279 -5.086 5.916 148 HD2 ARG 19 HD2 ARG 19 -14.510 -6.938 4.895 149 HD3 ARG 19 HD1 ARG 19 -13.113 -7.990 5.117 150 HE ARG 19 HE ARG 19 -13.847 -6.886 7.598 151 HH11 ARG 19 HH11 ARG 19 -15.029 -9.243 5.278 152 HH12 ARG 19 HH12 ARG 19 -15.869 -10.170 6.475 153 HH21 ARG 19 HH21 ARG 19 -14.955 -8.115 9.147 154 HH22 ARG 19 HH22 ARG 19 -15.827 -9.531 8.663 155 H ALA 20 HN ALA 20 -13.319 -3.524 2.709 156 HA ALA 20 HA ALA 20 -14.660 -1.717 2.565 157 HB1 ALA 20 HB1 ALA 20 -14.390 -1.630 5.566 158 HB2 ALA 20 HB2 ALA 20 -15.472 -2.694 4.667 159 HB3 ALA 20 HB3 ALA 20 -15.699 -0.947 4.601 160 H TYR 21 HN TYR 21 -12.846 -0.411 5.352 161 HA TYR 21 HA TYR 21 -12.588 2.142 4.066 162 HB2 TYR 21 HB2 TYR 21 -12.836 1.529 6.619 163 HB3 TYR 21 HB1 TYR 21 -11.082 1.422 6.558 164 HD1 TYR 21 HD1 TYR 21 -13.944 3.718 5.984 165 HD2 TYR 21 HD2 TYR 21 -9.751 3.368 6.626 166 HE1 TYR 21 HE1 TYR 21 -13.795 6.152 6.299 167 HE2 TYR 21 HE2 TYR 21 -9.593 5.804 6.946 168 HH TYR 21 HH TYR 21 -12.308 7.780 7.394 169 H GLU 22 HN GLU 22 -10.222 -0.226 5.275 170 HA GLU 22 HA GLU 22 -7.936 -0.309 4.991 171 HB2 GLU 22 HB2 GLU 22 -7.488 -1.290 2.676 172 HB3 GLU 22 HB1 GLU 22 -8.623 -2.120 3.721 173 HG2 GLU 22 HG2 GLU 22 -10.057 -2.123 2.022 174 HG3 GLU 22 HG1 GLU 22 -10.191 -0.376 2.207 175 H MET 23 HN MET 23 -8.529 0.945 1.698 176 HA MET 23 HA MET 23 -7.396 2.458 0.428 177 HB2 MET 23 HB2 MET 23 -7.895 4.007 2.966 178 HB3 MET 23 HB1 MET 23 -7.153 4.755 1.559 179 HG2 MET 23 HG2 MET 23 -9.118 4.246 0.227 180 HG3 MET 23 HG1 MET 23 -9.859 3.435 1.605 181 HE1 MET 23 HE1 MET 23 -11.368 5.710 -0.013 182 HE2 MET 23 HE2 MET 23 -12.053 6.645 1.315 183 HE3 MET 23 HE3 MET 23 -12.041 4.883 1.392 184 H THR 24 HN THR 24 -5.639 0.645 1.233 185 HA THR 24 HA THR 24 -3.225 2.190 1.920 186 HB THR 24 HB THR 24 -2.334 0.039 2.923 187 HG1 THR 24 HG1 THR 24 -3.995 -1.332 2.048 188 HG21 THR 24 HG21 THR 24 -4.730 1.127 4.383 189 HG22 THR 24 HG22 THR 24 -3.238 2.047 4.188 190 HG23 THR 24 HG23 THR 24 -3.219 0.514 5.055 191 H MET 25 HN MET 25 -1.193 1.180 1.211 192 HA MET 25 HA MET 25 -1.465 0.070 -1.481 193 HB2 MET 25 HB2 MET 25 1.036 0.639 -1.603 194 HB3 MET 25 HB1 MET 25 -0.093 1.980 -1.556 195 HG2 MET 25 HG2 MET 25 1.766 2.515 -0.164 196 HG3 MET 25 HG1 MET 25 0.375 2.221 0.874 197 HE1 MET 25 HE1 MET 25 4.030 1.303 0.067 198 HE2 MET 25 HE2 MET 25 3.200 0.083 -0.899 199 HE3 MET 25 HE3 MET 25 4.142 -0.399 0.511 200 H ARG 26 HN ARG 26 0.354 -1.508 -2.130 201 HA ARG 26 HA ARG 26 0.316 -3.703 -0.223 202 HB2 ARG 26 HB2 ARG 26 1.090 -3.494 -3.126 203 HB3 ARG 26 HB1 ARG 26 1.430 -4.938 -2.183 204 HG2 ARG 26 HG2 ARG 26 -0.978 -5.149 -1.700 205 HG3 ARG 26 HG1 ARG 26 -1.282 -3.750 -2.732 206 HD2 ARG 26 HD2 ARG 26 -0.302 -4.947 -4.632 207 HD3 ARG 26 HD1 ARG 26 -0.011 -6.346 -3.597 208 HE ARG 26 HE ARG 26 -2.752 -5.545 -3.597 209 HH11 ARG 26 HH11 ARG 26 -0.384 -7.388 -5.423 210 HH12 ARG 26 HH12 ARG 26 -1.576 -8.398 -6.170 211 HH21 ARG 26 HH21 ARG 26 -4.295 -6.880 -4.587 212 HH22 ARG 26 HH22 ARG 26 -3.788 -8.110 -5.697 213 H VAL 27 HN VAL 27 1.896 -4.079 1.143 214 HA VAL 27 HA VAL 27 4.517 -2.846 0.749 215 HB VAL 27 HB VAL 27 3.851 -4.394 3.248 216 HG11 VAL 27 HG11 VAL 27 5.503 -1.956 2.617 217 HG12 VAL 27 HG12 VAL 27 6.051 -3.526 3.205 218 HG13 VAL 27 HG13 VAL 27 5.129 -2.461 4.264 219 HG21 VAL 27 HG21 VAL 27 2.870 -1.584 2.728 220 HG22 VAL 27 HG22 VAL 27 2.765 -2.462 4.253 221 HG23 VAL 27 HG23 VAL 27 1.852 -3.019 2.851 222 H LYS 28 HN LYS 28 6.338 -4.435 1.862 223 HA LYS 28 HA LYS 28 6.946 -6.350 -0.037 224 HB2 LYS 28 HB2 LYS 28 7.954 -5.956 2.771 225 HB3 LYS 28 HB1 LYS 28 8.598 -7.211 1.721 226 HG2 LYS 28 HG2 LYS 28 9.245 -5.500 0.088 227 HG3 LYS 28 HG1 LYS 28 8.625 -4.250 1.168 228 HD2 LYS 28 HD2 LYS 28 10.239 -4.931 2.879 229 HD3 LYS 28 HD1 LYS 28 10.857 -6.181 1.797 230 HE2 LYS 28 HE2 LYS 28 11.513 -4.451 0.189 231 HE3 LYS 28 HE1 LYS 28 10.909 -3.209 1.285 232 HZ1 LYS 28 HZ1 LYS 28 12.546 -3.907 2.920 233 HZ2 LYS 28 HZ2 LYS 28 13.302 -3.465 1.473 234 HZ3 LYS 28 HZ3 LYS 28 13.125 -5.099 1.869 235 H ASP 29 HN ASP 29 6.205 -7.281 3.368 236 HA ASP 29 HA ASP 29 4.927 -9.705 2.281 237 HB2 ASP 29 HB2 ASP 29 6.683 -9.389 4.712 238 HB3 ASP 29 HB1 ASP 29 5.662 -10.798 4.457 239 H LYS 30 HN LYS 30 4.905 -7.340 4.915 240 HA LYS 30 HA LYS 30 2.234 -8.273 5.720 241 HB2 LYS 30 HB2 LYS 30 4.216 -6.548 7.213 242 HB3 LYS 30 HB1 LYS 30 2.650 -7.055 7.823 243 HG2 LYS 30 HG2 LYS 30 3.327 -9.326 7.940 244 HG3 LYS 30 HG1 LYS 30 4.799 -8.998 7.025 245 HD2 LYS 30 HD2 LYS 30 5.375 -7.395 8.970 246 HD3 LYS 30 HD1 LYS 30 4.139 -8.285 9.861 247 HE2 LYS 30 HE2 LYS 30 5.331 -10.376 9.407 248 HE3 LYS 30 HE1 LYS 30 6.567 -9.478 8.527 249 HZ1 LYS 30 HZ1 LYS 30 7.268 -9.966 10.784 250 HZ2 LYS 30 HZ2 LYS 30 5.920 -9.159 11.410 251 HZ3 LYS 30 HZ3 LYS 30 7.106 -8.296 10.567 252 H VAL 31 HN VAL 31 0.489 -6.992 5.627 253 HA VAL 31 HA VAL 31 0.822 -4.292 4.499 254 HB VAL 31 HB VAL 31 -1.754 -5.894 4.573 255 HG11 VAL 31 HG11 VAL 31 -2.052 -3.483 4.292 256 HG12 VAL 31 HG12 VAL 31 -2.491 -4.350 2.822 257 HG13 VAL 31 HG13 VAL 31 -0.949 -3.500 2.915 258 HG21 VAL 31 HG21 VAL 31 0.351 -5.773 2.422 259 HG22 VAL 31 HG22 VAL 31 -1.310 -6.271 2.113 260 HG23 VAL 31 HG23 VAL 31 -0.304 -7.200 3.225 261 H TYR 32 HN TYR 32 -0.184 -2.520 5.468 262 HA TYR 32 HA TYR 32 -1.379 -2.955 8.128 263 HB2 TYR 32 HB2 TYR 32 0.611 -0.758 7.517 264 HB3 TYR 32 HB1 TYR 32 -0.080 -1.160 9.083 265 HD1 TYR 32 HD1 TYR 32 2.222 -2.361 6.443 266 HD2 TYR 32 HD2 TYR 32 0.925 -2.798 10.469 267 HE1 TYR 32 HE1 TYR 32 4.127 -3.844 6.878 268 HE2 TYR 32 HE2 TYR 32 2.829 -4.279 10.926 269 HH TYR 32 HH TYR 32 4.365 -5.747 9.684 270 H HIS 33 HN HIS 33 -2.847 -1.328 8.834 271 HA HIS 33 HA HIS 33 -4.429 -0.093 6.826 272 HB2 HIS 33 HB2 HIS 33 -4.349 0.302 9.828 273 HB3 HIS 33 HB1 HIS 33 -5.541 1.063 8.784 274 HD2 HIS 33 HD2 HIS 33 -7.193 -0.965 7.374 275 HE1 HIS 33 HE1 HIS 33 -6.748 -3.720 10.589 276 HE2 HIS 33 HE2 HIS 33 -8.093 -3.090 8.547 277 H LEU 34 HN LEU 34 -4.899 2.286 6.673 278 HA LEU 34 HA LEU 34 -2.561 3.774 6.199 279 HB2 LEU 34 HB2 LEU 34 -4.048 5.701 5.814 280 HB3 LEU 34 HB1 LEU 34 -4.548 4.263 4.954 281 HG LEU 34 HG LEU 34 -6.039 4.134 7.277 282 HD11 LEU 34 HD11 LEU 34 -6.009 6.998 6.339 283 HD12 LEU 34 HD12 LEU 34 -5.275 6.423 7.836 284 HD13 LEU 34 HD13 LEU 34 -7.021 6.305 7.607 285 HD21 LEU 34 HD21 LEU 34 -6.795 5.366 4.630 286 HD22 LEU 34 HD22 LEU 34 -7.912 4.727 5.834 287 HD23 LEU 34 HD23 LEU 34 -6.798 3.643 5.005 288 H GLU 35 HN GLU 35 -4.879 3.960 8.889 289 HA GLU 35 HA GLU 35 -3.606 6.062 10.303 290 HB2 GLU 35 HB2 GLU 35 -5.490 3.877 11.193 291 HB3 GLU 35 HB1 GLU 35 -4.893 5.111 12.289 292 HG2 GLU 35 HG2 GLU 35 -6.345 5.793 9.752 293 HG3 GLU 35 HG1 GLU 35 -7.188 5.466 11.262 294 H CYS 36 HN CYS 36 -2.884 2.725 9.963 295 HA CYS 36 HA CYS 36 -1.203 2.574 12.339 296 HB2 CYS 36 HB2 CYS 36 -1.551 0.427 10.247 297 HB3 CYS 36 HB1 CYS 36 -1.090 0.241 11.938 298 H PHE 37 HN PHE 37 -0.855 3.646 9.203 299 HA PHE 37 HA PHE 37 1.913 2.780 8.869 300 HB2 PHE 37 HB2 PHE 37 0.125 2.861 6.996 301 HB3 PHE 37 HB1 PHE 37 0.378 4.600 7.008 302 HD1 PHE 37 HD1 PHE 37 2.128 1.359 6.527 303 HD2 PHE 37 HD2 PHE 37 2.131 5.556 5.796 304 HE1 PHE 37 HE1 PHE 37 4.023 1.086 4.982 305 HE2 PHE 37 HE2 PHE 37 4.032 5.288 4.260 306 HZ PHE 37 HZ PHE 37 4.979 3.052 3.850 307 H LYS 38 HN LYS 38 1.944 4.155 11.054 308 HA LYS 38 HA LYS 38 2.863 6.874 10.377 309 HB2 LYS 38 HB2 LYS 38 1.483 5.912 12.889 310 HB3 LYS 38 HB1 LYS 38 2.243 7.489 12.735 311 HG2 LYS 38 HG2 LYS 38 0.698 7.945 10.817 312 HG3 LYS 38 HG1 LYS 38 -0.138 6.446 11.222 313 HD2 LYS 38 HD2 LYS 38 -0.608 7.313 13.462 314 HD3 LYS 38 HD1 LYS 38 0.234 8.810 13.062 315 HE2 LYS 38 HE2 LYS 38 -1.393 9.245 11.284 316 HE3 LYS 38 HE1 LYS 38 -2.235 7.749 11.690 317 HZ1 LYS 38 HZ1 LYS 38 -3.316 9.668 12.677 318 HZ2 LYS 38 HZ2 LYS 38 -1.895 10.084 13.494 319 HZ3 LYS 38 HZ3 LYS 38 -2.703 8.651 13.882 320 H CYS 39 HN CYS 39 4.537 7.760 11.793 321 HA CYS 39 HA CYS 39 6.745 6.021 12.118 322 HB2 CYS 39 HB2 CYS 39 6.905 8.465 11.630 323 HB3 CYS 39 HB1 CYS 39 6.392 8.790 13.280 324 H ALA 40 HN ALA 40 7.801 5.283 13.961 325 HA ALA 40 HA ALA 40 6.087 4.950 16.310 326 HB1 ALA 40 HB1 ALA 40 7.531 3.115 16.914 327 HB2 ALA 40 HB2 ALA 40 8.664 3.541 15.630 328 HB3 ALA 40 HB3 ALA 40 7.051 2.954 15.225 329 H ALA 41 HN ALA 41 8.593 6.949 15.324 330 HA ALA 41 HA ALA 41 9.724 7.237 18.011 331 HB1 ALA 41 HB1 ALA 41 10.677 8.460 15.427 332 HB2 ALA 41 HB2 ALA 41 11.283 6.958 16.125 333 HB3 ALA 41 HB3 ALA 41 11.515 8.485 16.979 334 H CYS 42 HN CYS 42 8.306 9.263 15.420 335 HA CYS 42 HA CYS 42 7.745 11.312 17.463 336 HB2 CYS 42 HB2 CYS 42 7.804 12.990 15.723 337 HB3 CYS 42 HB1 CYS 42 9.285 12.044 15.665 338 H GLN 43 HN GLN 43 6.263 8.920 15.760 339 HA GLN 43 HA GLN 43 4.132 8.286 15.364 340 HB2 GLN 43 HB2 GLN 43 3.596 10.596 17.210 341 HB3 GLN 43 HB1 GLN 43 2.281 9.666 16.510 342 HG2 GLN 43 HG2 GLN 43 4.501 8.335 18.024 343 HG3 GLN 43 HG1 GLN 43 3.115 9.042 18.853 344 HE21 GLN 43 HE21 GLN 43 4.215 6.515 16.739 345 HE22 GLN 43 HE22 GLN 43 2.795 5.535 16.833 346 H LYS 44 HN LYS 44 5.488 10.609 13.759 347 HA LYS 44 HA LYS 44 3.409 12.153 12.604 348 HB2 LYS 44 HB2 LYS 44 6.026 12.426 12.545 349 HB3 LYS 44 HB1 LYS 44 5.892 11.482 11.071 350 HG2 LYS 44 HG2 LYS 44 4.368 13.157 10.140 351 HG3 LYS 44 HG1 LYS 44 4.515 14.106 11.621 352 HD2 LYS 44 HD2 LYS 44 6.917 14.352 11.223 353 HD3 LYS 44 HD1 LYS 44 6.772 13.399 9.745 354 HE2 LYS 44 HE2 LYS 44 5.261 15.084 8.811 355 HE3 LYS 44 HE1 LYS 44 5.411 16.036 10.289 356 HZ1 LYS 44 HZ1 LYS 44 7.775 16.280 9.845 357 HZ2 LYS 44 HZ2 LYS 44 6.861 16.871 8.550 358 HZ3 LYS 44 HZ3 LYS 44 7.628 15.368 8.427 359 H HIS 45 HN HIS 45 2.747 12.057 10.304 360 HA HIS 45 HA HIS 45 2.130 9.291 9.554 361 HB2 HIS 45 HB2 HIS 45 0.366 10.340 8.083 362 HB3 HIS 45 HB1 HIS 45 0.139 10.592 9.807 363 HD1 HIS 45 HD1 HIS 45 0.501 12.380 6.620 364 HD2 HIS 45 HD2 HIS 45 0.731 13.293 10.667 365 HE1 HIS 45 HE1 HIS 45 0.356 14.887 6.752 366 HE2 HIS 45 HE2 HIS 45 0.563 15.421 9.206 367 H PHE 46 HN PHE 46 2.259 8.596 7.378 368 HA PHE 46 HA PHE 46 4.413 9.923 5.884 369 HB2 PHE 46 HB2 PHE 46 3.466 7.062 5.921 370 HB3 PHE 46 HB1 PHE 46 4.617 7.666 4.744 371 HD1 PHE 46 HD2 PHE 46 4.109 7.514 8.448 372 HD2 PHE 46 HD1 PHE 46 6.860 7.450 5.200 373 HE1 PHE 46 HE2 PHE 46 5.933 7.055 10.016 374 HE2 PHE 46 HE1 PHE 46 8.696 6.981 6.768 375 HZ PHE 46 HZ PHE 46 8.236 6.783 9.180 376 H SER 47 HN SER 47 4.236 10.354 3.741 377 HA SER 47 HA SER 47 1.560 10.118 2.533 378 HB2 SER 47 HB2 SER 47 3.527 12.406 2.255 379 HB3 SER 47 HB1 SER 47 1.990 12.276 1.398 380 HG SER 47 HG SER 47 0.955 12.283 3.452 381 H VAL 48 HN VAL 48 1.525 10.119 0.163 382 HA VAL 48 HA VAL 48 3.332 8.248 -0.946 383 HB VAL 48 HB VAL 48 2.212 8.842 -3.163 384 HG11 VAL 48 HG11 VAL 48 0.512 7.935 -0.846 385 HG12 VAL 48 HG12 VAL 48 1.567 6.923 -1.832 386 HG13 VAL 48 HG13 VAL 48 0.143 7.676 -2.551 387 HG21 VAL 48 HG21 VAL 48 0.424 10.471 -1.347 388 HG22 VAL 48 HG22 VAL 48 0.086 10.069 -3.031 389 HG23 VAL 48 HG23 VAL 48 1.457 11.104 -2.629 390 H GLY 49 HN GLY 49 5.122 8.421 -2.156 391 HA2 GLY 49 HA2 GLY 49 6.459 9.580 -3.809 392 HA3 GLY 49 HA1 GLY 49 5.924 11.097 -3.108 393 H ASP 50 HN ASP 50 6.388 9.870 -0.350 394 HA ASP 50 HA ASP 50 9.222 10.570 -0.209 395 HB2 ASP 50 HB2 ASP 50 7.075 10.305 1.897 396 HB3 ASP 50 HB1 ASP 50 8.770 10.566 2.292 397 H ARG 51 HN ARG 51 10.763 9.309 0.882 398 HA ARG 51 HA ARG 51 10.363 6.448 0.629 399 HB2 ARG 51 HB2 ARG 51 12.806 8.062 1.393 400 HB3 ARG 51 HB1 ARG 51 12.790 6.319 1.178 401 HG2 ARG 51 HG2 ARG 51 12.049 6.701 -1.181 402 HG3 ARG 51 HG1 ARG 51 12.324 8.422 -0.919 403 HD2 ARG 51 HD2 ARG 51 14.668 7.967 -0.384 404 HD3 ARG 51 HD1 ARG 51 14.394 6.246 -0.642 405 HE ARG 51 HE ARG 51 13.649 7.749 -2.932 406 HH11 ARG 51 HH11 ARG 51 16.488 6.519 -1.271 407 HH12 ARG 51 HH12 ARG 51 17.450 6.469 -2.711 408 HH21 ARG 51 HH21 ARG 51 14.926 7.674 -4.803 409 HH22 ARG 51 HH22 ARG 51 16.565 7.122 -4.708 410 H TYR 52 HN TYR 52 10.331 4.958 2.267 411 HA TYR 52 HA TYR 52 10.542 5.955 5.025 412 HB2 TYR 52 HB2 TYR 52 8.543 4.815 5.703 413 HB3 TYR 52 HB1 TYR 52 8.142 5.796 4.303 414 HD1 TYR 52 HD2 TYR 52 7.855 4.660 2.062 415 HD2 TYR 52 HD1 TYR 52 8.208 2.465 5.694 416 HE1 TYR 52 HE2 TYR 52 6.902 2.681 0.958 417 HE2 TYR 52 HE1 TYR 52 7.256 0.489 4.600 418 HH TYR 52 HH TYR 52 5.834 -0.047 2.673 419 H LEU 53 HN LEU 53 10.985 4.360 6.631 420 HA LEU 53 HA LEU 53 12.291 1.940 5.570 421 HB2 LEU 53 HB2 LEU 53 13.796 3.667 6.634 422 HB3 LEU 53 HB1 LEU 53 12.966 3.371 8.147 423 HG LEU 53 HG LEU 53 14.076 0.961 6.845 424 HD11 LEU 53 HD11 LEU 53 15.813 2.753 6.441 425 HD12 LEU 53 HD12 LEU 53 16.339 1.353 7.374 426 HD13 LEU 53 HD13 LEU 53 15.966 2.865 8.196 427 HD21 LEU 53 HD21 LEU 53 14.630 0.387 9.117 428 HD22 LEU 53 HD22 LEU 53 12.973 0.989 9.060 429 HD23 LEU 53 HD23 LEU 53 14.268 2.026 9.658 430 H LEU 54 HN LEU 54 11.494 0.048 6.202 431 HA LEU 54 HA LEU 54 9.344 0.007 8.169 432 HB2 LEU 54 HB2 LEU 54 9.329 -1.108 5.814 433 HB3 LEU 54 HB1 LEU 54 10.273 -2.368 6.582 434 HG LEU 54 HG LEU 54 7.700 -1.599 7.874 435 HD11 LEU 54 HD11 LEU 54 7.069 -1.703 5.538 436 HD12 LEU 54 HD12 LEU 54 6.465 -3.122 6.394 437 HD13 LEU 54 HD13 LEU 54 7.889 -3.255 5.362 438 HD21 LEU 54 HD21 LEU 54 9.147 -3.280 8.894 439 HD22 LEU 54 HD22 LEU 54 9.104 -4.230 7.408 440 HD23 LEU 54 HD23 LEU 54 7.631 -3.999 8.350 441 H ILE 55 HN ILE 55 9.814 -0.355 10.212 442 HA ILE 55 HA ILE 55 12.245 -1.782 10.934 443 HB ILE 55 HB ILE 55 11.254 0.462 12.002 444 HG12 ILE 55 HG12 ILE 55 12.565 -0.299 14.156 445 HG13 ILE 55 HG11 ILE 55 12.957 -1.698 13.166 446 HG21 ILE 55 HG21 ILE 55 10.280 -1.606 13.961 447 HG22 ILE 55 HG22 ILE 55 9.232 -0.644 12.917 448 HG23 ILE 55 HG23 ILE 55 10.223 0.147 14.143 449 HD11 ILE 55 HD11 ILE 55 13.468 1.135 12.300 450 HD12 ILE 55 HD12 ILE 55 14.063 -0.347 11.555 451 HD13 ILE 55 HD13 ILE 55 14.652 0.138 13.145 452 H ASN 56 HN ASN 56 11.923 -3.158 13.080 453 HA ASN 56 HA ASN 56 10.879 -5.601 12.433 454 HB2 ASN 56 HB2 ASN 56 11.130 -4.468 15.222 455 HB3 ASN 56 HB1 ASN 56 11.041 -6.175 14.806 456 HD21 ASN 56 HD21 ASN 56 12.976 -3.285 14.662 457 HD22 ASN 56 HD22 ASN 56 14.484 -4.064 14.359 458 H SER 57 HN SER 57 9.115 -2.958 13.999 459 HA SER 57 HA SER 57 6.705 -4.650 13.948 460 HB2 SER 57 HB2 SER 57 7.379 -2.454 15.914 461 HB3 SER 57 HB1 SER 57 5.855 -3.341 15.869 462 HG SER 57 HG SER 57 6.829 -4.740 17.083 463 H ASP 58 HN ASP 58 7.625 -1.173 13.931 464 HA ASP 58 HA ASP 58 5.378 -0.706 12.076 465 HB2 ASP 58 HB2 ASP 58 6.374 0.950 14.386 466 HB3 ASP 58 HB1 ASP 58 5.386 1.654 13.111 467 H ILE 59 HN ILE 59 5.943 1.982 11.478 468 HA ILE 59 HA ILE 59 8.414 1.735 9.886 469 HB ILE 59 HB ILE 59 5.987 3.471 9.326 470 HG12 ILE 59 HG12 ILE 59 6.094 1.806 7.213 471 HG13 ILE 59 HG11 ILE 59 6.743 0.738 8.451 472 HG21 ILE 59 HG21 ILE 59 7.051 3.756 7.075 473 HG22 ILE 59 HG22 ILE 59 8.519 3.051 7.761 474 HG23 ILE 59 HG23 ILE 59 7.879 4.560 8.407 475 HD11 ILE 59 HD11 ILE 59 4.290 0.559 8.096 476 HD12 ILE 59 HD12 ILE 59 4.133 2.205 8.713 477 HD13 ILE 59 HD13 ILE 59 4.761 0.929 9.755 478 H VAL 60 HN VAL 60 9.896 3.404 9.862 479 HA VAL 60 HA VAL 60 9.463 5.595 11.795 480 HB VAL 60 HB VAL 60 12.184 4.430 11.145 481 HG11 VAL 60 HG11 VAL 60 12.237 6.691 12.033 482 HG12 VAL 60 HG12 VAL 60 12.858 5.557 13.231 483 HG13 VAL 60 HG13 VAL 60 11.227 6.205 13.395 484 HG21 VAL 60 HG21 VAL 60 10.503 3.791 13.571 485 HG22 VAL 60 HG22 VAL 60 12.122 3.187 13.215 486 HG23 VAL 60 HG23 VAL 60 10.759 2.703 12.207 487 H CYS 61 HN CYS 61 9.629 7.592 11.012 488 HA CYS 61 HA CYS 61 9.961 8.155 8.271 489 HB2 CYS 61 HB2 CYS 61 9.585 10.418 8.840 490 HB3 CYS 61 HB1 CYS 61 8.649 9.483 9.998 491 H GLU 62 HN GLU 62 11.515 9.584 7.258 492 HA GLU 62 HA GLU 62 14.189 8.815 7.573 493 HB2 GLU 62 HB2 GLU 62 12.920 11.131 6.127 494 HB3 GLU 62 HB1 GLU 62 14.653 10.843 6.088 495 HG2 GLU 62 HG2 GLU 62 14.268 8.642 5.104 496 HG3 GLU 62 HG1 GLU 62 12.529 8.927 5.146 497 H GLN 63 HN GLN 63 12.374 11.275 9.171 498 HA GLN 63 HA GLN 63 14.489 12.986 9.989 499 HB2 GLN 63 HB2 GLN 63 11.859 13.266 10.047 500 HB3 GLN 63 HB1 GLN 63 12.051 12.639 11.678 501 HG2 GLN 63 HG2 GLN 63 13.591 14.463 12.199 502 HG3 GLN 63 HG1 GLN 63 13.404 15.089 10.562 503 HE21 GLN 63 HE21 GLN 63 11.897 14.662 13.662 504 HE22 GLN 63 HE22 GLN 63 10.581 15.749 13.400 505 H ASP 64 HN ASP 64 12.982 10.147 11.488 506 HA ASP 64 HA ASP 64 14.988 10.221 13.651 507 HB2 ASP 64 HB2 ASP 64 12.472 8.561 13.698 508 HB3 ASP 64 HB1 ASP 64 13.486 9.034 15.049 509 H ILE 65 HN ILE 65 14.722 8.801 10.756 510 HA ILE 65 HA ILE 65 14.862 6.045 11.115 511 HB ILE 65 HB ILE 65 14.531 7.056 8.935 512 HG12 ILE 65 HG12 ILE 65 16.553 4.963 9.421 513 HG13 ILE 65 HG11 ILE 65 15.096 4.915 8.444 514 HG21 ILE 65 HG21 ILE 65 17.418 7.921 9.048 515 HG22 ILE 65 HG22 ILE 65 15.999 8.968 9.051 516 HG23 ILE 65 HG23 ILE 65 16.385 8.010 7.621 517 HD11 ILE 65 HD11 ILE 65 17.719 6.132 7.608 518 HD12 ILE 65 HD12 ILE 65 16.266 5.999 6.614 519 HD13 ILE 65 HD13 ILE 65 17.123 4.544 7.126 520 H TYR 66 HN TYR 66 17.636 8.288 10.880 521 HA TYR 66 HA TYR 66 19.662 6.383 11.217 522 HB2 TYR 66 HB2 TYR 66 20.012 8.647 10.303 523 HB3 TYR 66 HB1 TYR 66 19.712 9.335 11.892 524 HD1 TYR 66 HD2 TYR 66 21.371 9.175 13.650 525 HD2 TYR 66 HD1 TYR 66 22.116 7.523 9.802 526 HE1 TYR 66 HE2 TYR 66 23.749 8.992 14.204 527 HE2 TYR 66 HE1 TYR 66 24.510 7.336 10.342 528 HH TYR 66 HH TYR 66 26.140 8.373 11.876 529 H GLU 67 HN GLU 67 18.252 8.582 13.669 530 HA GLU 67 HA GLU 67 19.787 7.637 15.839 531 HB2 GLU 67 HB2 GLU 67 17.196 9.163 15.685 532 HB3 GLU 67 HB1 GLU 67 17.918 8.720 17.224 533 HG2 GLU 67 HG2 GLU 67 19.942 9.960 16.627 534 HG3 GLU 67 HG1 GLU 67 19.204 10.412 15.091 535 H TRP 68 HN TRP 68 16.564 6.667 14.672 536 HA TRP 68 HA TRP 68 15.893 4.981 16.847 537 HB2 TRP 68 HB2 TRP 68 14.253 5.879 15.204 538 HB3 TRP 68 HB1 TRP 68 14.918 4.799 13.986 539 HD1 TRP 68 HD1 TRP 68 14.297 2.228 14.146 540 HE1 TRP 68 HE1 TRP 68 12.449 0.959 15.413 541 HE3 TRP 68 HE3 TRP 68 12.891 5.891 17.438 542 HZ2 TRP 68 HZ2 TRP 68 10.641 1.441 17.522 543 HZ3 TRP 68 HZ3 TRP 68 11.096 5.399 19.047 544 HH2 TRP 68 HH2 TRP 68 9.995 3.220 19.087 545 H THR 69 HN THR 69 17.200 4.177 13.616 546 HA THR 69 HA THR 69 17.492 1.405 14.020 547 HB THR 69 HB THR 69 19.183 1.521 12.153 548 HG1 THR 69 HG1 THR 69 19.021 4.172 12.785 549 HG21 THR 69 HG21 THR 69 17.553 2.170 10.436 550 HG22 THR 69 HG22 THR 69 16.546 2.913 11.676 551 HG23 THR 69 HG23 THR 69 16.812 1.170 11.685 552 H LYS 70 HN LYS 70 19.456 4.100 14.919 553 HA LYS 70 HA LYS 70 21.930 2.833 15.401 554 HB2 LYS 70 HB2 LYS 70 21.176 5.364 15.281 555 HB3 LYS 70 HB1 LYS 70 21.014 5.174 17.017 556 HG2 LYS 70 HG2 LYS 70 23.150 5.945 16.913 557 HG3 LYS 70 HG1 LYS 70 23.458 4.213 16.802 558 HD2 LYS 70 HD2 LYS 70 23.887 4.316 14.503 559 HD3 LYS 70 HD1 LYS 70 23.084 5.876 14.328 560 HE2 LYS 70 HE2 LYS 70 25.409 6.287 14.162 561 HE3 LYS 70 HE1 LYS 70 24.905 6.859 15.750 562 HZ1 LYS 70 HZ1 LYS 70 26.975 5.628 15.880 563 HZ2 LYS 70 HZ2 LYS 70 26.248 4.267 15.187 564 HZ3 LYS 70 HZ3 LYS 70 25.755 4.804 16.714 565 H ILE 71 HN ILE 71 19.105 3.368 17.475 566 HA ILE 71 HA ILE 71 20.424 2.325 19.835 567 HB ILE 71 HB ILE 71 17.479 2.924 19.648 568 HG12 ILE 71 HG12 ILE 71 18.520 4.937 18.791 569 HG13 ILE 71 HG11 ILE 71 17.961 5.245 20.425 570 HG21 ILE 71 HG21 ILE 71 18.169 1.799 21.671 571 HG22 ILE 71 HG22 ILE 71 17.703 3.459 22.038 572 HG23 ILE 71 HG23 ILE 71 19.409 3.020 21.964 573 HD11 ILE 71 HD11 ILE 71 20.818 4.734 19.597 574 HD12 ILE 71 HD12 ILE 71 20.266 5.041 21.243 575 HD13 ILE 71 HD13 ILE 71 20.113 6.296 20.014 576 H ASN 72 HN ASN 72 17.712 1.230 17.750 577 HA ASN 72 HA ASN 72 17.694 -1.308 19.212 578 HB2 ASN 72 HB2 ASN 72 15.591 -1.756 17.821 579 HB3 ASN 72 HB1 ASN 72 15.499 -0.518 19.064 580 HD21 ASN 72 HD21 ASN 72 14.958 1.508 18.510 581 HD22 ASN 72 HD22 ASN 72 14.652 2.035 16.894 582 H GLY 73 HN GLY 73 18.460 -0.068 16.025 583 HA2 GLY 73 HA2 GLY 73 18.715 -2.778 14.941 584 HA3 GLY 73 HA1 GLY 73 18.865 -1.281 14.035 585 H GLY 74 HN GLY 74 20.634 -3.460 13.819 586 HA2 GLY 74 HA2 GLY 74 23.115 -2.257 13.810 587 HA3 GLY 74 HA1 GLY 74 23.000 -3.060 15.369 588 H SER 75 HN SER 75 23.472 -5.151 15.503 589 HA SER 75 HA SER 75 24.318 -7.183 14.987 590 HB2 SER 75 HB2 SER 75 23.050 -8.544 13.365 591 HB3 SER 75 HB1 SER 75 21.986 -7.654 14.452 592 HG SER 75 HG SER 75 22.703 -6.676 11.896 593 H GLY 76 HN GLY 76 26.324 -7.385 14.345 594 HA2 GLY 76 HA2 GLY 76 27.434 -8.098 12.099 595 HA3 GLY 76 HA1 GLY 76 27.121 -6.418 11.688 596 H GLY 77 HN GLY 77 28.543 -4.895 12.285 597 HA2 GLY 77 HA2 GLY 77 30.088 -4.544 14.443 598 HA3 GLY 77 HA1 GLY 77 31.001 -5.767 13.572 599 H SER 78 HN SER 78 30.966 -5.102 11.033 600 HA SER 78 HA SER 78 32.285 -2.485 10.975 601 HB2 SER 78 HB2 SER 78 32.394 -4.775 8.996 602 HB3 SER 78 HB1 SER 78 33.298 -3.268 8.859 603 HG SER 78 HG SER 78 34.362 -5.191 9.868 604 H GLY 79 HN GLY 79 29.843 -4.390 9.228 605 HA2 GLY 79 HA2 GLY 79 28.964 -1.915 7.875 606 HA3 GLY 79 HA1 GLY 79 28.748 -3.532 7.221 607 H GLY 80 HN GLY 80 26.861 -4.513 7.542 608 HA2 GLY 80 HA2 GLY 80 25.022 -5.175 8.941 609 HA3 GLY 80 HA1 GLY 80 25.150 -3.632 9.773 610 H SER 81 HN SER 81 25.070 -1.762 7.913 611 HA SER 81 HA SER 81 22.430 -2.119 6.688 612 HB2 SER 81 HB2 SER 81 24.001 0.407 7.256 613 HB3 SER 81 HB1 SER 81 22.378 0.349 6.570 614 HG SER 81 HG SER 81 23.217 -0.420 9.159 615 H GLY 82 HN GLY 82 22.042 -1.792 4.538 616 HA2 GLY 82 HA2 GLY 82 24.417 -1.751 2.805 617 HA3 GLY 82 HA1 GLY 82 22.835 -2.372 2.359 618 H GLY 83 HN GLY 83 21.133 -0.870 1.910 619 HA2 GLY 83 HA2 GLY 83 21.030 1.815 1.937 620 HA3 GLY 83 HA1 GLY 83 22.116 1.520 0.588 621 H ASP 84 HN ASP 84 19.098 0.018 1.750 622 HA ASP 84 HA ASP 84 17.902 0.532 -0.891 623 HB2 ASP 84 HB2 ASP 84 17.837 -2.039 0.696 624 HB3 ASP 84 HB1 ASP 84 16.709 -1.697 -0.611 625 H VAL 85 HN VAL 85 16.159 1.741 -0.721 626 HA VAL 85 HA VAL 85 14.419 1.462 1.644 627 HB VAL 85 HB VAL 85 14.790 4.136 0.290 628 HG11 VAL 85 HG11 VAL 85 12.846 4.025 1.657 629 HG12 VAL 85 HG12 VAL 85 14.053 4.952 2.550 630 HG13 VAL 85 HG13 VAL 85 13.740 3.271 2.977 631 HG21 VAL 85 HG21 VAL 85 17.016 3.507 1.057 632 HG22 VAL 85 HG22 VAL 85 16.377 3.136 2.658 633 HG23 VAL 85 HG23 VAL 85 16.357 4.796 2.063 634 H MET 86 HN MET 86 12.191 1.848 1.284 635 HA MET 86 HA MET 86 11.372 1.715 -1.546 636 HB2 MET 86 HB2 MET 86 10.216 0.376 0.895 637 HB3 MET 86 HB1 MET 86 9.304 0.539 -0.599 638 HG2 MET 86 HG2 MET 86 11.950 -0.871 -0.318 639 HG3 MET 86 HG1 MET 86 10.372 -1.654 -0.379 640 HE1 MET 86 HE1 MET 86 11.977 -2.570 -3.845 641 HE2 MET 86 HE2 MET 86 11.248 -3.203 -2.370 642 HE3 MET 86 HE3 MET 86 12.817 -2.400 -2.304 643 H VAL 87 HN VAL 87 9.593 2.886 -2.224 644 HA VAL 87 HA VAL 87 8.864 5.154 -0.543 645 HB VAL 87 HB VAL 87 7.855 4.939 -3.342 646 HG11 VAL 87 HG11 VAL 87 7.314 6.872 -1.996 647 HG12 VAL 87 HG12 VAL 87 8.357 7.339 -3.340 648 HG13 VAL 87 HG13 VAL 87 9.026 7.183 -1.716 649 HG21 VAL 87 HG21 VAL 87 9.958 5.793 -4.286 650 HG22 VAL 87 HG22 VAL 87 10.149 4.167 -3.632 651 HG23 VAL 87 HG23 VAL 87 10.748 5.557 -2.728 652 H VAL 88 HN VAL 88 6.719 5.738 -0.111 653 HA VAL 88 HA VAL 88 4.886 3.630 0.357 654 HB VAL 88 HB VAL 88 4.067 6.533 0.286 655 HG11 VAL 88 HG11 VAL 88 3.204 4.227 2.029 656 HG12 VAL 88 HG12 VAL 88 2.289 4.921 0.691 657 HG13 VAL 88 HG13 VAL 88 2.599 5.880 2.139 658 HG21 VAL 88 HG21 VAL 88 4.811 6.753 2.617 659 HG22 VAL 88 HG22 VAL 88 6.159 6.487 1.514 660 HG23 VAL 88 HG23 VAL 88 5.566 5.163 2.516 661 H GLY 89 HN GLY 89 3.834 2.562 -1.170 662 HA2 GLY 89 HA2 GLY 89 3.348 3.483 -3.805 663 HA3 GLY 89 HA1 GLY 89 2.664 2.040 -3.076 664 H GLU 90 HN GLU 90 1.337 3.780 -4.896 665 HA GLU 90 HA GLU 90 -0.416 5.596 -3.632 666 HB2 GLU 90 HB2 GLU 90 -0.546 4.138 -6.262 667 HB3 GLU 90 HB1 GLU 90 -1.807 5.249 -5.751 668 HG2 GLU 90 HG2 GLU 90 -0.164 7.054 -5.617 669 HG3 GLU 90 HG1 GLU 90 1.100 5.937 -6.132 670 HA PRO 91 HA PRO 91 -3.299 2.666 -1.785 671 HB2 PRO 91 HB2 PRO 91 -5.301 4.764 -1.560 672 HB3 PRO 91 HB1 PRO 91 -4.374 3.980 -0.281 673 HG2 PRO 91 HG2 PRO 91 -4.006 6.575 -0.987 674 HG3 PRO 91 HG1 PRO 91 -2.707 5.557 -0.342 675 HD2 PRO 91 HD2 PRO 91 -3.288 6.318 -3.184 676 HD3 PRO 91 HD1 PRO 91 -1.732 6.230 -2.331 677 H THR 92 HN THR 92 -5.221 1.556 -2.220 678 HA THR 92 HA THR 92 -6.462 2.162 -4.825 679 HB THR 92 HB THR 92 -7.058 -0.315 -4.848 680 HG1 THR 92 HG1 THR 92 -5.920 -1.651 -3.481 681 HG21 THR 92 HG21 THR 92 -4.136 0.447 -4.970 682 HG22 THR 92 HG22 THR 92 -5.307 0.605 -6.280 683 HG23 THR 92 HG23 THR 92 -4.853 -0.995 -5.692 684 H LEU 93 HN LEU 93 -8.536 2.676 -4.806 685 HA LEU 93 HA LEU 93 -10.084 2.819 -2.446 686 HB2 LEU 93 HB2 LEU 93 -10.878 3.051 -5.349 687 HB3 LEU 93 HB1 LEU 93 -11.964 3.379 -4.015 688 HG LEU 93 HG LEU 93 -9.380 4.872 -4.152 689 HD11 LEU 93 HD11 LEU 93 -10.441 6.578 -5.561 690 HD12 LEU 93 HD12 LEU 93 -11.824 5.509 -5.797 691 HD13 LEU 93 HD13 LEU 93 -10.237 5.046 -6.413 692 HD21 LEU 93 HD21 LEU 93 -12.168 5.602 -3.254 693 HD22 LEU 93 HD22 LEU 93 -10.742 6.633 -3.134 694 HD23 LEU 93 HD23 LEU 93 -10.830 5.136 -2.205 695 H MET 94 HN MET 94 -11.256 1.346 -1.436 696 HA MET 94 HA MET 94 -11.497 -1.333 -2.309 697 HB2 MET 94 HB2 MET 94 -11.599 -0.192 0.095 698 HB3 MET 94 HB1 MET 94 -13.328 -0.282 -0.205 699 HG2 MET 94 HG2 MET 94 -11.431 -2.620 -0.290 700 HG3 MET 94 HG1 MET 94 -12.467 -2.198 1.072 701 HE1 MET 94 HE1 MET 94 -13.517 -4.635 1.097 702 HE2 MET 94 HE2 MET 94 -12.455 -5.084 -0.238 703 HE3 MET 94 HE3 MET 94 -14.183 -5.424 -0.332 704 H GLY 95 HN GLY 95 -13.836 1.343 -2.208 705 HA2 GLY 95 HA2 GLY 95 -15.420 0.043 -4.278 706 HA3 GLY 95 HA1 GLY 95 -16.232 0.290 -2.739 707 H GLY 96 HN GLY 96 -16.782 2.365 -2.078 708 HA2 GLY 96 HA2 GLY 96 -16.423 4.488 -4.103 709 HA3 GLY 96 HA1 GLY 96 -17.973 4.202 -3.327 710 H GLU 97 HN GLU 97 -18.138 6.228 -2.426 711 HA GLU 97 HA GLU 97 -16.062 7.068 -0.528 712 HB2 GLU 97 HB2 GLU 97 -18.334 8.545 -1.850 713 HB3 GLU 97 HB1 GLU 97 -17.429 9.228 -0.508 714 HG2 GLU 97 HG2 GLU 97 -15.372 9.082 -1.814 715 HG3 GLU 97 HG1 GLU 97 -16.275 8.387 -3.159 716 H PHE 98 HN PHE 98 -16.604 7.729 1.595 717 HA PHE 98 HA PHE 98 -18.886 6.276 2.709 718 HB2 PHE 98 HB2 PHE 98 -16.398 7.426 3.977 719 HB3 PHE 98 HB1 PHE 98 -17.727 6.756 4.915 720 HD1 PHE 98 HD2 PHE 98 -18.159 4.375 4.938 721 HD2 PHE 98 HD1 PHE 98 -14.942 6.002 2.674 722 HE1 PHE 98 HE2 PHE 98 -17.191 2.124 4.703 723 HE2 PHE 98 HE1 PHE 98 -13.969 3.755 2.435 724 HZ PHE 98 HZ PHE 98 -15.093 1.813 3.451 725 H GLY 99 HN GLY 99 -17.425 9.517 2.736 726 HA2 GLY 99 HA2 GLY 99 -19.001 11.403 2.531 727 HA3 GLY 99 HA1 GLY 99 -20.008 10.577 3.710 728 H ASP 100 HN ASP 100 -20.046 11.928 5.394 729 HA ASP 100 HA ASP 100 -17.544 12.473 6.784 730 HB2 ASP 100 HB2 ASP 100 -19.519 14.616 5.964 731 HB3 ASP 100 HB1 ASP 100 -18.322 14.850 7.234 732 H GLU 101 HN GLU 101 -18.094 11.069 8.361 733 HA GLU 101 HA GLU 101 -20.643 11.173 9.719 734 HB2 GLU 101 HB2 GLU 101 -18.162 9.511 10.092 735 HB3 GLU 101 HB1 GLU 101 -19.508 9.434 11.220 736 HG2 GLU 101 HG2 GLU 101 -20.992 8.744 9.412 737 HG3 GLU 101 HG1 GLU 101 -19.651 8.836 8.272 738 H ASP 102 HN ASP 102 -17.582 12.673 10.114 739 HA ASP 102 HA ASP 102 -17.823 13.147 12.958 740 HB2 ASP 102 HB2 ASP 102 -15.862 14.106 10.876 741 HB3 ASP 102 HB1 ASP 102 -15.799 14.627 12.557 742 H GLU 103 HN GLU 103 -18.807 14.744 10.056 743 HA GLU 103 HA GLU 103 -19.119 17.348 11.306 744 HB2 GLU 103 HB2 GLU 103 -19.667 16.296 8.539 745 HB3 GLU 103 HB1 GLU 103 -20.197 17.896 9.041 746 HG2 GLU 103 HG2 GLU 103 -17.867 18.490 9.545 747 HG3 GLU 103 HG1 GLU 103 -17.355 16.898 8.985 748 H ARG 104 HN ARG 104 -21.168 14.672 10.242 749 HA ARG 104 HA ARG 104 -23.599 16.069 10.986 750 HB2 ARG 104 HB2 ARG 104 -24.752 13.999 10.208 751 HB3 ARG 104 HB1 ARG 104 -23.730 14.743 8.992 752 HG2 ARG 104 HG2 ARG 104 -22.008 13.048 9.397 753 HG3 ARG 104 HG1 ARG 104 -23.033 12.305 10.627 754 HD2 ARG 104 HD2 ARG 104 -24.739 11.852 8.939 755 HD3 ARG 104 HD1 ARG 104 -23.734 12.617 7.709 756 HE ARG 104 HE ARG 104 -22.238 10.583 8.900 757 HH11 ARG 104 HH11 ARG 104 -25.087 10.874 6.866 758 HH12 ARG 104 HH12 ARG 104 -24.851 9.329 6.118 759 HH21 ARG 104 HH21 ARG 104 -21.950 8.564 7.907 760 HH22 ARG 104 HH22 ARG 104 -23.078 8.023 6.709 761 H LEU 105 HN LEU 105 -21.401 14.993 12.914 762 HA LEU 105 HA LEU 105 -22.847 13.152 14.609 763 HB2 LEU 105 HB2 LEU 105 -20.274 13.361 14.209 764 HB3 LEU 105 HB1 LEU 105 -20.359 14.614 15.429 765 HG LEU 105 HG LEU 105 -21.542 11.959 16.096 766 HD11 LEU 105 HD11 LEU 105 -18.579 12.512 16.044 767 HD12 LEU 105 HD12 LEU 105 -19.442 11.338 15.049 768 HD13 LEU 105 HD13 LEU 105 -19.349 11.116 16.797 769 HD21 LEU 105 HD21 LEU 105 -19.931 13.984 17.649 770 HD22 LEU 105 HD22 LEU 105 -20.660 12.521 18.311 771 HD23 LEU 105 HD23 LEU 105 -21.685 13.811 17.681 772 H ILE 106 HN ILE 106 -21.989 16.588 14.661 773 HA ILE 106 HA ILE 106 -23.430 16.956 17.180 774 HB ILE 106 HB ILE 106 -22.600 19.363 16.988 775 HG12 ILE 106 HG12 ILE 106 -20.346 18.458 15.290 776 HG13 ILE 106 HG11 ILE 106 -21.867 18.705 14.440 777 HG21 ILE 106 HG21 ILE 106 -21.662 17.762 18.539 778 HG22 ILE 106 HG22 ILE 106 -20.384 18.774 17.867 779 HG23 ILE 106 HG23 ILE 106 -20.602 17.126 17.281 780 HD11 ILE 106 HD11 ILE 106 -21.960 20.996 15.287 781 HD12 ILE 106 HD12 ILE 106 -20.486 20.697 14.367 782 HD13 ILE 106 HD13 ILE 106 -20.432 20.744 16.129 783 H THR 107 HN THR 107 -25.518 17.345 17.095 784 HA THR 107 HA THR 107 -26.569 19.242 15.123 785 HB THR 107 HB THR 107 -28.616 17.750 14.868 786 HG1 THR 107 HG1 THR 107 -26.781 15.826 15.897 787 HG21 THR 107 HG21 THR 107 -27.597 16.387 13.096 788 HG22 THR 107 HG22 THR 107 -25.996 16.767 13.729 789 HG23 THR 107 HG23 THR 107 -27.005 18.049 13.058 790 H ARG 108 HN ARG 108 -28.521 20.263 15.722 791 HA ARG 108 HA ARG 108 -29.067 20.178 18.615 792 HB2 ARG 108 HB2 ARG 108 -28.247 22.318 17.288 793 HB3 ARG 108 HB1 ARG 108 -29.951 22.447 16.877 794 HG2 ARG 108 HG2 ARG 108 -30.506 22.468 19.278 795 HG3 ARG 108 HG1 ARG 108 -28.783 22.409 19.655 796 HD2 ARG 108 HD2 ARG 108 -28.448 24.528 18.493 797 HD3 ARG 108 HD1 ARG 108 -30.160 24.581 18.078 798 HE ARG 108 HE ARG 108 -29.741 24.367 20.893 799 HH11 ARG 108 HH11 ARG 108 -29.788 26.686 18.255 800 HH12 ARG 108 HH12 ARG 108 -30.156 28.026 19.288 801 HH21 ARG 108 HH21 ARG 108 -30.224 26.137 22.225 802 HH22 ARG 108 HH22 ARG 108 -30.403 27.714 21.534 803 H LEU 109 HN LEU 109 -31.183 20.135 19.368 804 HA LEU 109 HA LEU 109 -33.165 19.157 17.433 805 HB2 LEU 109 HB2 LEU 109 -33.001 18.887 20.436 806 HB3 LEU 109 HB1 LEU 109 -34.379 18.360 19.488 807 HG LEU 109 HG LEU 109 -32.527 16.966 18.199 808 HD11 LEU 109 HD11 LEU 109 -31.339 17.289 20.953 809 HD12 LEU 109 HD12 LEU 109 -30.636 17.868 19.444 810 HD13 LEU 109 HD13 LEU 109 -30.809 16.137 19.729 811 HD21 LEU 109 HD21 LEU 109 -33.021 15.081 19.692 812 HD22 LEU 109 HD22 LEU 109 -34.464 16.021 19.313 813 HD23 LEU 109 HD23 LEU 109 -33.678 16.206 20.881 814 H GLU 110 HN GLU 110 -35.155 20.075 17.210 815 HA GLU 110 HA GLU 110 -35.610 22.623 18.615 816 HB2 GLU 110 HB2 GLU 110 -35.193 22.399 15.975 817 HB3 GLU 110 HB1 GLU 110 -36.926 22.106 16.001 818 HG2 GLU 110 HG2 GLU 110 -37.264 24.233 17.157 819 HG3 GLU 110 HG1 GLU 110 -35.526 24.525 17.113 820 H ASN 111 HN ASN 111 -37.733 23.153 19.214 821 HA ASN 111 HA ASN 111 -39.492 20.830 19.576 822 HB2 ASN 111 HB2 ASN 111 -39.317 23.479 21.017 823 HB3 ASN 111 HB1 ASN 111 -40.630 22.336 21.276 824 HD21 ASN 111 HD21 ASN 111 -40.209 20.384 22.309 825 HD22 ASN 111 HD22 ASN 111 -38.769 20.125 23.229 826 H THR 112 HN THR 112 -41.413 20.685 18.618 827 HA THR 112 HA THR 112 -42.335 22.960 16.994 828 HB THR 112 HB THR 112 -43.746 21.193 15.820 829 HG1 THR 112 HG1 THR 112 -43.694 19.399 17.017 830 HG21 THR 112 HG21 THR 112 -41.882 20.410 14.428 831 HG22 THR 112 HG22 THR 112 -40.738 20.943 15.661 832 HG23 THR 112 HG23 THR 112 -41.728 22.127 14.805 833 H GLN 113 HN GLN 113 -44.474 23.618 17.030 834 HA GLN 113 HA GLN 113 -45.997 22.789 19.406 835 HB2 GLN 113 HB2 GLN 113 -45.976 25.357 17.822 836 HB3 GLN 113 HB1 GLN 113 -47.233 24.986 18.991 837 HG2 GLN 113 HG2 GLN 113 -44.338 24.939 19.763 838 HG3 GLN 113 HG1 GLN 113 -45.255 26.443 19.731 839 HE21 GLN 113 HE21 GLN 113 -44.836 23.368 21.292 840 HE22 GLN 113 HE22 GLN 113 -45.791 23.715 22.690 841 H PHE 114 HN PHE 114 -48.196 22.344 19.271 842 HA PHE 114 HA PHE 114 -49.268 21.927 16.557 843 HB2 PHE 114 HB2 PHE 114 -48.536 19.846 17.968 844 HB3 PHE 114 HB1 PHE 114 -50.029 20.142 18.850 845 HD1 PHE 114 HD2 PHE 114 -52.184 19.792 17.803 846 HD2 PHE 114 HD1 PHE 114 -48.568 19.076 15.676 847 HE1 PHE 114 HE2 PHE 114 -53.441 18.551 16.091 848 HE2 PHE 114 HE1 PHE 114 -49.819 17.833 13.960 849 HZ PHE 114 HZ PHE 114 -52.259 17.569 14.166 850 H ASP 115 HN ASP 115 -51.214 22.768 16.166 851 HA ASP 115 HA ASP 115 -52.899 23.600 18.434 852 HB2 ASP 115 HB2 ASP 115 -52.192 25.198 15.969 853 HB3 ASP 115 HB1 ASP 115 -53.553 25.599 17.011 854 H ALA 116 HN ALA 116 -55.112 23.483 18.139 855 HA ALA 116 HA ALA 116 -56.038 22.178 15.662 856 HB1 ALA 116 HB1 ALA 116 -57.580 20.831 16.982 857 HB2 ALA 116 HB2 ALA 116 -56.972 21.568 18.465 858 HB3 ALA 116 HB3 ALA 116 -55.913 20.551 17.489 859 H ALA 117 HN ALA 117 -57.795 23.016 14.720 860 HA ALA 117 HA ALA 117 -59.075 25.322 16.003 861 HB1 ALA 117 HB1 ALA 117 -59.813 25.951 13.770 862 HB2 ALA 117 HB2 ALA 117 -59.129 24.464 13.112 863 HB3 ALA 117 HB3 ALA 117 -58.068 25.693 13.801 864 H ASN 118 HN ASN 118 -59.845 22.289 14.345 865 HA ASN 118 HA ASN 118 -61.736 21.088 14.031 866 HB2 ASN 118 HB2 ASN 118 -62.908 20.427 16.112 867 HB3 ASN 118 HB1 ASN 118 -61.160 20.339 16.244 868 HD21 ASN 118 HD21 ASN 118 -64.046 21.909 17.324 869 HD22 ASN 118 HD22 ASN 118 -63.334 22.777 18.639 870 H GLY 119 HN GLY 119 -63.213 21.779 12.683 871 HA2 GLY 119 HA2 GLY 119 -65.670 22.853 13.551 872 HA3 GLY 119 HA1 GLY 119 -64.695 24.147 12.871 873 H ILE 120 HN ILE 120 -63.522 23.228 10.730 874 HA ILE 120 HA ILE 120 -65.674 22.113 9.055 875 HB ILE 120 HB ILE 120 -64.513 23.365 7.134 876 HG12 ILE 120 HG12 ILE 120 -63.619 25.658 8.186 877 HG13 ILE 120 HG11 ILE 120 -63.134 24.580 9.490 878 HG21 ILE 120 HG21 ILE 120 -66.008 24.892 9.254 879 HG22 ILE 120 HG22 ILE 120 -66.712 23.930 7.954 880 HG23 ILE 120 HG23 ILE 120 -65.810 25.398 7.577 881 HD11 ILE 120 HD11 ILE 120 -61.323 24.935 7.914 882 HD12 ILE 120 HD12 ILE 120 -62.329 24.327 6.601 883 HD13 ILE 120 HD13 ILE 120 -61.839 23.249 7.907 884 H ASP 121 HN ASP 121 -65.126 20.713 7.365 885 HA ASP 121 HA ASP 121 -62.398 19.604 7.447 886 HB2 ASP 121 HB2 ASP 121 -65.017 18.097 7.435 887 HB3 ASP 121 HB1 ASP 121 -63.480 17.346 7.022 888 H ASP 122 HN ASP 122 -61.439 19.385 5.540 889 HA ASP 122 HA ASP 122 -63.082 19.417 3.096 890 HB2 ASP 122 HB2 ASP 122 -60.574 21.001 3.670 891 HB3 ASP 122 HB1 ASP 122 -61.192 20.747 2.041 892 H GLU 123 HN GLU 123 -62.328 18.222 1.358 893 HA GLU 123 HA GLU 123 -60.033 16.455 1.900 894 HB2 GLU 123 HB2 GLU 123 -62.709 15.782 0.681 895 HB3 GLU 123 HB1 GLU 123 -61.301 14.751 0.479 896 HG2 GLU 123 HG2 GLU 123 -61.152 14.468 2.897 897 HG3 GLU 123 HG1 GLU 123 -62.554 15.516 3.108
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